
 OPTIM version 24095, Copyright (C) David J. Wales
 OPTIM comes with ABSOLUTELY NO WARRANTY; for details supply WARRANTY as an input keyword.
 This is free software, and you are welcome to redistribute it
 under certain conditions; provide keyword COPYRIGHT to see the details.

 getparams> Number of atoms (or variables)  determined as     38
 fetchz> Eigenvector-following transition state search, maximum steps=10000
 fetchz> Uphill mode is    0 for initial step and    0 after that

 fetchz>  114 Cartesian coordinates will be optimised for   38 Lennard-Jones+Axilrod-Teller atoms
 fetchz> Axilrod-Teller Z*=  0.00000000

 fetchz> Scaling steps according to trust radius=     0.20000
 fetchz> Point group checked when RMS force <     0.00100000, highest symmetry axis tested for=  6
 fetchz> Initial distance and eigenvalue tolerances in symmetry determination=     0.00010000     0.00010000
 fetchz> Minimum number of optimization steps=     0
 fetchz> Convergence criteria: EF step<  1.0000000     RMS force< 0.10000000E-05
 fetchz> Warnings will be issued if atoms become closer than 0.5 units
 fetchz> Initial maximum for EF/SD steps=     0.00040000
 fetchz> Maximum value for maximum allowed EF/SD steps=     0.00040000
 fetchz> Minimum value for maximum allowed EF/SD steps=     0.00001000
 fetchz> Value of pushoff from stationary points of the wrong index=     0.01000000
 fetchz> A pushoff from stationary points of the wrong index may be applied when the RMS force <     0.00001000
 fetchz> Coordinates for intermediate steps will not be dumped to file points

 fetchz> Gradients along Hessian eigenvectors will be printed every   1 steps
 fetchz> Maximum unscaled steps for each mode will be printed every    1 steps
 fetchz> Hessian eigenvalues will be printed every    1 steps
 fetchz> Summary of steps and derivatives will be printed every   1 steps

 rotcon> Rotational constants (in cm-1) and principal moments of inertia: 
        0.88806         0.98932         1.02311        58.83998        60.84970        67.78805
 symmetry> The full molecular point group is C1  .
 symmetry> The largest Abelian subgroup of the full molecular point group is C1  .
 symmetry> Distance tolerance=     0.00010 Inertia tolerance=     0.00010
 symmetry> Order of full point group=     1
 OPTIM> Using translational/rotational ev shift=     1000000.000    
 efol> resetting maximum step sizes to     0.4000000000E-03
 Updating structure with eigenvector-following steps.

 Beginning of optimization cycle    1.
 -------------------------------------
 potential> allocating hessian with dimension        114
 potential> Energy for last cycle=                                -169.4031027635
 potential> RMS force:                                               0.0000010005   |gradient|=.1068224459E-04
 Eigenvalues of the Hessian matrix:
   712.29265    668.03094    619.75461    600.24943    588.76210    561.06227 
   557.04246    476.55454    472.93261    464.99329    442.09116    433.16757 
   419.50179    404.46873    398.77979    387.59968    367.06675    365.28085 
   354.14098    348.50764    326.91104    323.56236    319.17908    314.08452 
   305.40426    287.28909    280.21916    272.54184    266.14127    261.56748 
   257.93966    253.50585    246.00627    240.74252    233.30001    228.19712 
   226.91000    213.93939    211.67912    209.69625    202.77704    199.22162 
   195.06705    191.91266    186.39504    179.96827    170.86300    168.01047 
   165.91850    160.80046    154.61955    151.14277    147.78149    141.90725 
   136.79872    134.29004    131.02940    127.75073    125.32907    123.51327 
   119.52361    118.19734    115.90391    113.25595    110.76446    106.04906 
   102.96295    100.99068     97.07934     94.95424     92.15735     90.06546 
    86.95121     84.43943     81.08347     78.97254     78.59206     73.32563 
    70.94278     70.39204     67.20427     64.21916     62.49419     59.60892 
    58.22704     55.91455     53.64455     52.55808     50.19991     48.11526 
    44.14977     39.40564     38.38575     35.79846     34.26133     30.75630 
    29.13973     28.65848     24.13647     21.84509     20.06507     15.99212 
    14.19649     13.19905     12.17445      9.17661      7.36822      4.45162 
overlap for current and previous eigenvector    109 is         0.0000000000
overlap for current and previous eigenvector    110 is         0.0000000000
overlap for current and previous eigenvector    111 is         0.0000000000
overlap for current and previous eigenvector    112 is         0.0000000000
overlap for current and previous eigenvector    113 is         0.0000000000
overlap for current and previous eigenvector    114 is         0.0000000000
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4272464351
 Log product of positive Hessian eigenvalues =          520.5278563722
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4516179353
 Stepping away from minimum along mode  114  + direction
 Unscaled step for mode    7=       -0.0000000006
 Unscaled step for mode    8=       -0.0000000044
 Unscaled step for mode    9=        0.0000000032
 Unscaled step for mode   10=        0.0000000022
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=        0.0000000043
 Unscaled step for mode   13=       -0.0000000048
 Unscaled step for mode   14=       -0.0000000024
 Unscaled step for mode   15=        0.0000000001
 Unscaled step for mode   16=        0.0000000008
 Unscaled step for mode   17=       -0.0000000002
 Unscaled step for mode   18=       -0.0000000002
 Unscaled step for mode   19=       -0.0000000001
 Unscaled step for mode   20=       -0.0000000002
 Unscaled step for mode   21=        0.0000000002
 Unscaled step for mode   22=        0.0000000002
 Unscaled step for mode   23=        0.0000000003
 Unscaled step for mode   24=       -0.0000000001
 Unscaled step for mode   25=       -0.0000000001
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000001
 Unscaled step for mode   28=       -0.0000000001
 Unscaled step for mode   29=        0.0000000000
 Unscaled step for mode   30=        0.0000000000
 Unscaled step for mode   31=       -0.0000000001
 Unscaled step for mode   32=       -0.0000000002
 Unscaled step for mode   33=       -0.0000000002
 Unscaled step for mode   34=       -0.0000000004
 Unscaled step for mode   35=       -0.0000000000
 Unscaled step for mode   36=        0.0000000003
 Unscaled step for mode   37=       -0.0000000000
 Unscaled step for mode   38=       -0.0000000000
 Unscaled step for mode   39=        0.0000000000
 Unscaled step for mode   40=        0.0000000001
 Unscaled step for mode   41=        0.0000000001
 Unscaled step for mode   42=       -0.0000000001
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=       -0.0000000000
 Unscaled step for mode   45=        0.0000000001
 Unscaled step for mode   46=       -0.0000000001
 Unscaled step for mode   47=       -0.0000000000
 Unscaled step for mode   48=       -0.0000000001
 Unscaled step for mode   49=       -0.0000000001
 Unscaled step for mode   50=        0.0000000001
 Unscaled step for mode   51=       -0.0000000002
 Unscaled step for mode   52=       -0.0000000007
 Unscaled step for mode   53=        0.0000000027
 Unscaled step for mode   54=        0.0000000004
 Unscaled step for mode   55=        0.0000000032
 Unscaled step for mode   56=       -0.0000000011
 Unscaled step for mode   57=       -0.0000000013
 Unscaled step for mode   58=        0.0000000005
 Unscaled step for mode   59=        0.0000000155
 Unscaled step for mode   60=        0.0000000188
 Unscaled step for mode   61=        0.0000000004
 Unscaled step for mode   62=       -0.0000000022
 Unscaled step for mode   63=       -0.0000000015
 Unscaled step for mode   64=        0.0000000030
 Unscaled step for mode   65=        0.0000000037
 Unscaled step for mode   66=       -0.0000000056
 Unscaled step for mode   67=        0.0000000004
 Unscaled step for mode   68=       -0.0000000065
 Unscaled step for mode   69=        0.0000000054
 Unscaled step for mode   70=        0.0000000074
 Unscaled step for mode   71=       -0.0000000072
 Unscaled step for mode   72=        0.0000000139
 Unscaled step for mode   73=        0.0000000068
 Unscaled step for mode   74=        0.0000000019
 Unscaled step for mode   75=       -0.0000000104
 Unscaled step for mode   76=       -0.0000000212
 Unscaled step for mode   77=        0.0000000075
 Unscaled step for mode   78=       -0.0000000010
 Unscaled step for mode   79=       -0.0000000021
 Unscaled step for mode   80=        0.0000000034
 Unscaled step for mode   81=        0.0000000008
 Unscaled step for mode   82=       -0.0000000055
 Unscaled step for mode   83=        0.0000000003
 Unscaled step for mode   84=        0.0000000152
 Unscaled step for mode   85=        0.0000000014
 Unscaled step for mode   86=       -0.0000000057
 Unscaled step for mode   87=        0.0000000075
 Unscaled step for mode   88=        0.0000000071
 Unscaled step for mode   89=       -0.0000000194
 Unscaled step for mode   90=        0.0000000072
 Unscaled step for mode   91=       -0.0000000217
 Unscaled step for mode   92=        0.0000000048
 Unscaled step for mode   93=       -0.0000000200
 Unscaled step for mode   94=        0.0000000096
 Unscaled step for mode   95=       -0.0000000266
 Unscaled step for mode   96=       -0.0000000064
 Unscaled step for mode   97=        0.0000000743
 Unscaled step for mode   98=        0.0000000320
 Unscaled step for mode   99=        0.0000000216
 Unscaled step for mode  100=        0.0000000360
 Unscaled step for mode  101=        0.0000000063
 Unscaled step for mode  102=       -0.0000000425
 Unscaled step for mode  103=       -0.0000000788
 Unscaled step for mode  104=       -0.0000000932
 Unscaled step for mode  105=        0.0000000089
 Unscaled step for mode  106=       -0.0000000388
 Unscaled step for mode  107=        0.0000001189
 Unscaled step for mode  108=        0.0000000909
 Unscaled step for mode  109=        0.0000000321
 Unscaled step for mode  110=       -0.0000000296
 Unscaled step for mode  111=       -0.0000001373
 Unscaled step for mode  112=       -0.0000002010
 Unscaled step for mode  113=       -0.0000003473
 Unscaled step for mode  114=        0.0100000000
 Largest modulus ratio of non-zero e/values=           160.0075890    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.584303E-15    0.101869E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.306458E-15    0.100793E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.121604E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.697457E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.548108E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.110965E-15    0.973386E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.457636E-06    0.712293E+03 -0.642483E-09 0.400000E-03    0.000000E+00
   8    0.291613E-05    0.668031E+03 -0.436526E-08 0.400000E-03    0.000000E+00
   9   -0.196484E-05    0.619755E+03  0.317035E-08 0.400000E-03    0.000000E+00
  10   -0.130652E-05    0.600249E+03  0.217663E-08 0.400000E-03    0.000000E+00
  11   -0.987398E-06    0.588762E+03  0.167708E-08 0.400000E-03    0.000000E+00
  12   -0.241993E-05    0.561062E+03  0.431312E-08 0.400000E-03    0.000000E+00
  13    0.268811E-05    0.557042E+03 -0.482568E-08 0.400000E-03    0.000000E+00
  14    0.114781E-05    0.476555E+03 -0.240857E-08 0.400000E-03    0.000000E+00
  15   -0.382919E-07    0.472933E+03  0.809670E-10 0.400000E-03    0.000000E+00
  16   -0.351726E-06    0.464993E+03  0.756410E-09 0.400000E-03    0.000000E+00
  17    0.960700E-07    0.442091E+03 -0.217308E-09 0.400000E-03    0.000000E+00
  18    0.935635E-07    0.433168E+03 -0.215998E-09 0.400000E-03    0.000000E+00
  19    0.304975E-07    0.419502E+03 -0.726994E-10 0.400000E-03    0.000000E+00
  20    0.858227E-07    0.404469E+03 -0.212186E-09 0.400000E-03    0.000000E+00
  21   -0.665590E-07    0.398780E+03  0.166907E-09 0.400000E-03    0.000000E+00
  22   -0.748899E-07    0.387600E+03  0.193214E-09 0.400000E-03    0.000000E+00
  23   -0.106392E-06    0.367067E+03  0.289844E-09 0.400000E-03    0.000000E+00
  24    0.480973E-07    0.365281E+03 -0.131672E-09 0.400000E-03    0.000000E+00
  25    0.287476E-07    0.354141E+03 -0.811755E-10 0.400000E-03    0.000000E+00
  26    0.805009E-08    0.348508E+03 -0.230988E-10 0.400000E-03    0.000000E+00
  27    0.258533E-07    0.326911E+03 -0.790835E-10 0.400000E-03    0.000000E+00
  28    0.191501E-07    0.323562E+03 -0.591851E-10 0.400000E-03    0.000000E+00
  29   -0.153868E-08    0.319179E+03  0.482074E-11 0.400000E-03    0.000000E+00
  30   -0.487310E-08    0.314085E+03  0.155152E-10 0.400000E-03    0.000000E+00
  31    0.179098E-07    0.305404E+03 -0.586430E-10 0.400000E-03    0.000000E+00
  32    0.482893E-07    0.287289E+03 -0.168086E-09 0.400000E-03    0.000000E+00
  33    0.440939E-07    0.280219E+03 -0.157355E-09 0.400000E-03    0.000000E+00
  34    0.113025E-06    0.272542E+03 -0.414707E-09 0.400000E-03    0.000000E+00
  35    0.125150E-07    0.266141E+03 -0.470239E-10 0.400000E-03    0.000000E+00
  36   -0.758155E-07    0.261567E+03  0.289851E-09 0.400000E-03    0.000000E+00
  37    0.584819E-08    0.257940E+03 -0.226727E-10 0.400000E-03    0.000000E+00
  38    0.127513E-08    0.253506E+03 -0.502997E-11 0.400000E-03    0.000000E+00
  39   -0.101896E-07    0.246006E+03  0.414202E-10 0.400000E-03    0.000000E+00
  40   -0.173674E-07    0.240743E+03  0.721411E-10 0.400000E-03    0.000000E+00
  41   -0.197906E-07    0.233300E+03  0.848291E-10 0.400000E-03    0.000000E+00
  42    0.161143E-07    0.228197E+03 -0.706158E-10 0.400000E-03    0.000000E+00
  43    0.309904E-08    0.226910E+03 -0.136576E-10 0.400000E-03    0.000000E+00
  44    0.104376E-07    0.213939E+03 -0.487878E-10 0.400000E-03    0.000000E+00
  45   -0.266475E-07    0.211679E+03  0.125886E-09 0.400000E-03    0.000000E+00
  46    0.154144E-07    0.209696E+03 -0.735082E-10 0.400000E-03    0.000000E+00
  47    0.445966E-08    0.202777E+03 -0.219929E-10 0.400000E-03    0.000000E+00
  48    0.166110E-07    0.199222E+03 -0.833795E-10 0.400000E-03    0.000000E+00
  49    0.176006E-07    0.195067E+03 -0.902284E-10 0.400000E-03    0.000000E+00
  50   -0.220769E-07    0.191913E+03  0.115036E-09 0.400000E-03    0.000000E+00
  51    0.386131E-07    0.186395E+03 -0.207157E-09 0.400000E-03    0.000000E+00
  52    0.122974E-06    0.179968E+03 -0.683310E-09 0.400000E-03    0.000000E+00
  53   -0.457837E-06    0.170863E+03  0.267955E-08 0.400000E-03    0.000000E+00
  54   -0.625454E-07    0.168010E+03  0.372271E-09 0.400000E-03    0.000000E+00
  55   -0.536232E-06    0.165919E+03  0.323190E-08 0.400000E-03    0.000000E+00
  56    0.184895E-06    0.160800E+03 -0.114984E-08 0.400000E-03    0.000000E+00
  57    0.207283E-06    0.154620E+03 -0.134060E-08 0.400000E-03    0.000000E+00
  58   -0.755431E-07    0.151143E+03  0.499813E-09 0.400000E-03    0.000000E+00
  59   -0.229707E-05    0.147781E+03  0.155437E-07 0.400000E-03    0.000000E+00
  60   -0.267051E-05    0.141907E+03  0.188187E-07 0.400000E-03    0.000000E+00
  61   -0.496379E-07    0.136799E+03  0.362854E-09 0.400000E-03    0.000000E+00
  62    0.290300E-06    0.134290E+03 -0.216174E-08 0.400000E-03    0.000000E+00
  63    0.191638E-06    0.131029E+03 -0.146256E-08 0.400000E-03    0.000000E+00
  64   -0.388283E-06    0.127751E+03  0.303938E-08 0.400000E-03    0.000000E+00
  65   -0.466461E-06    0.125329E+03  0.372189E-08 0.400000E-03    0.000000E+00
  66    0.691099E-06    0.123513E+03 -0.559535E-08 0.400000E-03    0.000000E+00
  67   -0.443006E-07    0.119524E+03  0.370643E-09 0.400000E-03    0.000000E+00
  68    0.765185E-06    0.118197E+03 -0.647379E-08 0.400000E-03    0.000000E+00
  69   -0.620719E-06    0.115904E+03  0.535546E-08 0.400000E-03    0.000000E+00
  70   -0.839412E-06    0.113256E+03  0.741164E-08 0.400000E-03    0.000000E+00
  71    0.803026E-06    0.110764E+03 -0.724985E-08 0.400000E-03    0.000000E+00
  72   -0.147767E-05    0.106049E+03  0.139338E-07 0.400000E-03    0.000000E+00
  73   -0.705155E-06    0.102963E+03  0.684863E-08 0.400000E-03    0.000000E+00
  74   -0.191170E-06    0.100991E+03  0.189295E-08 0.400000E-03    0.000000E+00
  75    0.101008E-05    0.970793E+02 -0.104047E-07 0.400000E-03    0.000000E+00
  76    0.201495E-05    0.949542E+02 -0.212202E-07 0.400000E-03    0.000000E+00
  77   -0.694431E-06    0.921574E+02  0.753527E-08 0.400000E-03    0.000000E+00
  78    0.901714E-07    0.900655E+02 -0.100118E-08 0.400000E-03    0.000000E+00
  79    0.182920E-06    0.869512E+02 -0.210370E-08 0.400000E-03    0.000000E+00
  80   -0.286404E-06    0.844394E+02  0.339183E-08 0.400000E-03    0.000000E+00
  81   -0.641304E-07    0.810835E+02  0.790918E-09 0.400000E-03    0.000000E+00
  82    0.435539E-06    0.789725E+02 -0.551506E-08 0.400000E-03    0.000000E+00
  83   -0.263054E-07    0.785921E+02  0.334708E-09 0.400000E-03    0.000000E+00
  84   -0.111249E-05    0.733256E+02  0.151719E-07 0.400000E-03    0.000000E+00
  85   -0.100207E-06    0.709428E+02  0.141250E-08 0.400000E-03    0.000000E+00
  86    0.399917E-06    0.703920E+02 -0.568128E-08 0.400000E-03    0.000000E+00
  87   -0.507277E-06    0.672043E+02  0.754828E-08 0.400000E-03    0.000000E+00
  88   -0.454412E-06    0.642192E+02  0.707595E-08 0.400000E-03    0.000000E+00
  89    0.121492E-05    0.624942E+02 -0.194405E-07 0.400000E-03    0.000000E+00
  90   -0.426682E-06    0.596089E+02  0.715802E-08 0.400000E-03    0.000000E+00
  91    0.126218E-05    0.582270E+02 -0.216769E-07 0.400000E-03    0.000000E+00
  92   -0.270088E-06    0.559146E+02  0.483038E-08 0.400000E-03    0.000000E+00
  93    0.107287E-05    0.536446E+02 -0.199996E-07 0.400000E-03    0.000000E+00
  94   -0.502307E-06    0.525581E+02  0.955718E-08 0.400000E-03    0.000000E+00
  95    0.133726E-05    0.501999E+02 -0.266386E-07 0.400000E-03    0.000000E+00
  96    0.308055E-06    0.481153E+02 -0.640244E-08 0.400000E-03    0.000000E+00
  97   -0.328065E-05    0.441498E+02  0.743073E-07 0.400000E-03    0.000000E+00
  98   -0.126122E-05    0.394056E+02  0.320062E-07 0.400000E-03    0.000000E+00
  99   -0.828855E-06    0.383858E+02  0.215928E-07 0.400000E-03    0.000000E+00
 100   -0.128748E-05    0.357985E+02  0.359646E-07 0.400000E-03    0.000000E+00
 101   -0.214173E-06    0.342613E+02  0.625115E-08 0.400000E-03    0.000000E+00
 102    0.130774E-05    0.307563E+02 -0.425195E-07 0.400000E-03    0.000000E+00
 103    0.229690E-05    0.291397E+02 -0.788236E-07 0.400000E-03    0.000000E+00
 104    0.267176E-05    0.286585E+02 -0.932276E-07 0.400000E-03    0.000000E+00
 105   -0.214865E-06    0.241365E+02  0.890208E-08 0.400000E-03    0.000000E+00
 106    0.847317E-06    0.218451E+02 -0.387875E-07 0.400000E-03    0.000000E+00
 107   -0.238525E-05    0.200651E+02  0.118876E-06 0.400000E-03    0.000000E+00
 108   -0.145366E-05    0.159921E+02  0.908986E-07 0.400000E-03    0.000000E+00
 109   -0.455368E-06    0.141965E+02  0.320761E-07 0.400000E-03    0.000000E+00
 110    0.391140E-06    0.131990E+02 -0.296339E-07 0.400000E-03    0.000000E+00
 111    0.167108E-05    0.121744E+02 -0.137261E-06 0.400000E-03    0.000000E+00
 112    0.184493E-05    0.917661E+01 -0.201048E-06 0.400000E-03    0.000000E+00
 113    0.255869E-05    0.736822E+01 -0.347260E-06 0.400000E-03    0.000000E+00
 114   -0.576939E-06    0.445162E+01  0.100000E-01 0.400000E-03    0.000000E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1000000000E-01    0.1000000000E-01
 rotcon> Rotational constants (in cm-1) and principal moments of inertia: 
        0.88806         0.98932         1.02311        58.83998        60.84970        67.78805
 symmetry> The full molecular point group is C1  .
 symmetry> The largest Abelian subgroup of the full molecular point group is C1  .
 symmetry> Distance tolerance=     0.00010 Inertia tolerance=     0.00010
 symmetry> Order of full point group=     1

 Beginning of optimization cycle    2.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4028777657
 potential> RMS force:                                               0.0042761836   |gradient|=.4565714643E-01
 Eigenvalues of the Hessian matrix:
   713.76244    668.61200    620.69898    601.11462    589.14649    561.73698 
   557.92217    476.81084    472.42792    464.63401    441.93961    432.82930 
   419.64296    404.68052    398.70544    387.79311    366.97971    365.00434 
   353.79021    347.52441    326.03060    323.64072    319.13964    314.65739 
   305.41920    287.26533    280.19884    272.29828    266.01389    261.58845 
   257.78224    253.41683    245.59811    240.45144    233.40381    228.22636 
   226.46443    213.59665    211.48816    209.82452    202.77400    199.07084 
   195.07981    191.83240    186.51387    179.61728    170.78346    168.05560 
   165.88261    160.78672    154.40962    151.10325    147.92358    142.06569 
   136.82941    134.34687    131.04640    127.74586    125.39650    123.75879 
   119.47623    118.12040    115.99566    113.20099    110.71765    105.95316 
   102.91425    100.89713     97.14246     94.96536     91.96707     90.14840 
    87.15094     84.42122     80.99918     78.98014     78.64146     73.28060 
    71.03395     70.19788     67.30384     64.04465     62.49743     59.63644 
    58.28770     55.89888     53.67901     52.49742     50.22708     48.09126 
    44.06837     39.50026     38.23812     35.91938     34.29284     30.50227 
    29.10156     28.66736     23.98307     21.83920     19.90084     16.17072 
    14.11569     13.09070     12.10321      9.22306      7.44584      4.58560 
overlap for current and previous eigenvector    109 is         0.9945786333
overlap for current and previous eigenvector    110 is        -0.9963951445
overlap for current and previous eigenvector    111 is         0.9980057367
overlap for current and previous eigenvector    112 is         0.9997386201
overlap for current and previous eigenvector    113 is        -0.9994229615
overlap for current and previous eigenvector    114 is        -0.9992258518
J1,K1,R1,R2,RAT=   7   7    -313.3033805         315.2992621         312.3033805    
FOB,PFOB,DIAG,PSTEP=    0.1441322816E-03    0.4576356285E-06     713.7624408       -0.6424825901E-09
J1,K1,R1,R2,RAT=   8   8     66.33559405        -64.33733216         63.33733216    
FOB,PFOB,DIAG,PSTEP=   -0.1906953258E-03    0.2916129699E-05     668.6119995       -0.4365261453E-08
J1,K1,R1,R2,RAT=   9   9     22.67856619        -20.68160910         19.68160910    
FOB,PFOB,DIAG,PSTEP=    0.4266279060E-04   -0.1964838970E-05     620.6989792        0.3170349888E-08
J1,K1,R1,R2,RAT=  10  10     261.9273353        -259.9302139         258.9302139    
FOB,PFOB,DIAG,PSTEP=    0.3413996534E-03   -0.1306518499E-05     601.1146217        0.2176625983E-08
J1,K1,R1,R2,RAT=  11  11    -348.9075395         350.9062346         347.9075395    
FOB,PFOB,DIAG,PSTEP=   -0.3457230045E-03   -0.9873982226E-06     589.1464856        0.1677075045E-08
J1,K1,R1,R2,RAT= 109 109    -1964.693348         1966.704795         1963.693348    
FOB,PFOB,DIAG,PSTEP=   -0.8900228143E-03   -0.4553682613E-06     14.11569423        0.3207612257E-07
J1,K1,R1,R2,RAT= 110 110    -229.0406422         231.0571952         228.0406422    
FOB,PFOB,DIAG,PSTEP=    0.8924260603E-04    0.3911395016E-06     13.09070364       -0.2963391675E-07
J1,K1,R1,R2,RAT= 111 111    -451.4442583         453.4560293         450.4442583    
FOB,PFOB,DIAG,PSTEP=    0.7516566838E-03    0.1671080395E-05     12.10321443       -0.1372612866E-06
J1,K1,R1,R2,RAT= 112 112    -303.1361316         305.1260586         302.1361316    
FOB,PFOB,DIAG,PSTEP=    0.5639420404E-03    0.1844933822E-05     9.223057257       -0.2010475295E-06
J1,K1,R1,R2,RAT= 113 113     567.2063243        -565.2271760         564.2271760    
FOB,PFOB,DIAG,PSTEP=   -0.1464035110E-02    0.2558686717E-05     7.445844858       -0.3472600283E-06
J1,K1,R1,R2,RAT= 114 114   -0.9837713252        0.9837964883        0.1620351168E-01
FOB,PFOB,DIAG,PSTEP=   -0.4511238252E-01   -0.5769390983E-06     4.585598748        0.1000000000E-01
 Gradients along Hessian eigenvectors: 
     0.00014     -0.00019      0.00004      0.00034     -0.00035      0.00066 
     0.00088     -0.00133      0.00044      0.00014      0.00012      0.00060 
     0.00092      0.00161      0.00051     -0.00041     -0.00064      0.00046 
    -0.00099      0.00122      0.00086      0.00077     -0.00037     -0.00065 
     0.00006      0.00020      0.00041      0.00026      0.00111      0.00013 
    -0.00045     -0.00031     -0.00072      0.00001      0.00010     -0.00006 
     0.00013      0.00016     -0.00018      0.00028     -0.00083     -0.00024 
     0.00039     -0.00046     -0.00033      0.00005     -0.00041     -0.00006 
    -0.00075      0.00029      0.00016      0.00066      0.00025     -0.00043 
    -0.00041     -0.00137     -0.00084      0.00010      0.00021     -0.00078 
     0.00008      0.00017     -0.00018     -0.00007     -0.00003     -0.00079 
    -0.00011      0.00097     -0.00034     -0.00068      0.00004      0.00111 
     0.00154     -0.00021     -0.00030      0.00049     -0.00087     -0.00034 
    -0.00089     -0.00097      0.00055      0.00001     -0.00083     -0.00035 
     0.00014      0.00057     -0.00116      0.00036     -0.00117     -0.00032 
    -0.00046      0.00038     -0.00031      0.00091     -0.00179     -0.00088 
     0.00055     -0.00091     -0.00001      0.00023     -0.00120     -0.00177 
    -0.00089      0.00009      0.00075      0.00056     -0.00146     -0.04511 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4296245323
 Log product of positive Hessian eigenvalues =          520.5313134729
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5855987484
 Unscaled step for mode    7=       -0.0000002019
 Unscaled step for mode    8=        0.0000002852
 Unscaled step for mode    9=       -0.0000000687
 Unscaled step for mode   10=       -0.0000005679
 Unscaled step for mode   11=        0.0000005868
 Unscaled step for mode   12=       -0.0000011665
 Unscaled step for mode   13=       -0.0000015734
 Unscaled step for mode   14=        0.0000027869
 Unscaled step for mode   15=       -0.0000009294
 Unscaled step for mode   16=       -0.0000002954
 Unscaled step for mode   17=       -0.0000002626
 Unscaled step for mode   18=       -0.0000013863
 Unscaled step for mode   19=       -0.0000021872
 Unscaled step for mode   20=       -0.0000039881
 Unscaled step for mode   21=       -0.0000012667
 Unscaled step for mode   22=        0.0000010688
 Unscaled step for mode   23=        0.0000017479
 Unscaled step for mode   24=       -0.0000012591
 Unscaled step for mode   25=        0.0000028091
 Unscaled step for mode   26=       -0.0000035012
 Unscaled step for mode   27=       -0.0000026362
 Unscaled step for mode   28=       -0.0000023941
 Unscaled step for mode   29=        0.0000011538
 Unscaled step for mode   30=        0.0000020617
 Unscaled step for mode   31=       -0.0000001832
 Unscaled step for mode   32=       -0.0000007081
 Unscaled step for mode   33=       -0.0000014736
 Unscaled step for mode   34=       -0.0000009484
 Unscaled step for mode   35=       -0.0000041653
 Unscaled step for mode   36=       -0.0000004821
 Unscaled step for mode   37=        0.0000017271
 Unscaled step for mode   38=        0.0000012153
 Unscaled step for mode   39=        0.0000029389
 Unscaled step for mode   40=       -0.0000000270
 Unscaled step for mode   41=       -0.0000004278
 Unscaled step for mode   42=        0.0000002694
 Unscaled step for mode   43=       -0.0000005628
 Unscaled step for mode   44=       -0.0000007468
 Unscaled step for mode   45=        0.0000008726
 Unscaled step for mode   46=       -0.0000013425
 Unscaled step for mode   47=        0.0000040932
 Unscaled step for mode   48=        0.0000011811
 Unscaled step for mode   49=       -0.0000019776
 Unscaled step for mode   50=        0.0000024091
 Unscaled step for mode   51=        0.0000017867
 Unscaled step for mode   52=       -0.0000003061
 Unscaled step for mode   53=        0.0000023913
 Unscaled step for mode   54=        0.0000003691
 Unscaled step for mode   55=        0.0000045369
 Unscaled step for mode   56=       -0.0000018116
 Unscaled step for mode   57=       -0.0000010245
 Unscaled step for mode   58=       -0.0000043812
 Unscaled step for mode   59=       -0.0000017010
 Unscaled step for mode   60=        0.0000030238
 Unscaled step for mode   61=        0.0000029760
 Unscaled step for mode   62=        0.0000102219
 Unscaled step for mode   63=        0.0000063892
 Unscaled step for mode   64=       -0.0000007871
 Unscaled step for mode   65=       -0.0000017126
 Unscaled step for mode   66=        0.0000062833
 Unscaled step for mode   67=       -0.0000006493
 Unscaled step for mode   68=       -0.0000014167
 Unscaled step for mode   69=        0.0000015274
 Unscaled step for mode   70=        0.0000005753
 Unscaled step for mode   71=        0.0000002572
 Unscaled step for mode   72=        0.0000074444
 Unscaled step for mode   73=        0.0000010518
 Unscaled step for mode   74=       -0.0000096019
 Unscaled step for mode   75=        0.0000035266
 Unscaled step for mode   76=        0.0000071753
 Unscaled step for mode   77=       -0.0000004301
 Unscaled step for mode   78=       -0.0000122976
 Unscaled step for mode   79=       -0.0000177127
 Unscaled step for mode   80=        0.0000025288
 Unscaled step for mode   81=        0.0000036493
 Unscaled step for mode   82=       -0.0000061777
 Unscaled step for mode   83=        0.0000110644
 Unscaled step for mode   84=        0.0000046993
 Unscaled step for mode   85=        0.0000125037
 Unscaled step for mode   86=        0.0000138714
 Unscaled step for mode   87=       -0.0000082151
 Unscaled step for mode   88=       -0.0000001705
 Unscaled step for mode   89=        0.0000132675
 Unscaled step for mode   90=        0.0000058266
 Unscaled step for mode   91=       -0.0000024625
 Unscaled step for mode   92=       -0.0000101527
 Unscaled step for mode   93=        0.0000215950
 Unscaled step for mode   94=       -0.0000068144
 Unscaled step for mode   95=        0.0000233549
 Unscaled step for mode   96=        0.0000066515
 Unscaled step for mode   97=        0.0000103783
 Unscaled step for mode   98=       -0.0000096408
 Unscaled step for mode   99=        0.0000080801
 Unscaled step for mode  100=       -0.0000252850
 Unscaled step for mode  101=        0.0000523417
 Unscaled step for mode  102=        0.0000288936
 Unscaled step for mode  103=       -0.0000188041
 Unscaled step for mode  104=        0.0000318379
 Unscaled step for mode  105=        0.0000003669
 Unscaled step for mode  106=       -0.0000105679
 Unscaled step for mode  107=        0.0000600890
 Unscaled step for mode  108=        0.0001092671
 Unscaled step for mode  109=        0.0000630520
 Unscaled step for mode  110=       -0.0000068173
 Unscaled step for mode  111=       -0.0000621039
 Unscaled step for mode  112=       -0.0000611448
 Unscaled step for mode  113=        0.0001966244
 Unscaled step for mode  114=       -0.0098368871
 Largest modulus ratio of non-zero e/values=           155.6530521    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.306721E-15    0.101872E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.474393E-15    0.100788E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.770200E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.145175E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.692850E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.945360E-15    0.973399E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.144132E-03    0.713762E+03 -0.201933E-06 0.360360E-03    0.312303E+03
   8   -0.190695E-03    0.668612E+03  0.285211E-06 0.360360E-03    0.633373E+02
   9    0.426628E-04    0.620699E+03 -0.687335E-07 0.360360E-03    0.196816E+02
  10    0.341400E-03    0.601115E+03 -0.567944E-06 0.360360E-03    0.258930E+03
  11   -0.345723E-03    0.589146E+03  0.586820E-06 0.360360E-03    0.347908E+03
  12    0.655251E-03    0.561737E+03 -0.116647E-05 0.360360E-03    0.268449E+03
  13    0.877850E-03    0.557922E+03 -0.157343E-05 0.360360E-03    0.324054E+03
  14   -0.132881E-02    0.476811E+03  0.278687E-05 0.360360E-03    0.115506E+04
  15    0.439060E-03    0.472428E+03 -0.929369E-06 0.360360E-03    0.114764E+05
  16    0.137255E-03    0.464634E+03 -0.295405E-06 0.360360E-03    0.388535E+03
  17    0.116047E-03    0.441940E+03 -0.262585E-06 0.360360E-03    0.120635E+04
  18    0.600037E-03    0.432829E+03 -0.138631E-05 0.360360E-03    0.641616E+04
  19    0.917841E-03    0.419643E+03 -0.218720E-05 0.360360E-03    0.300835E+05
  20    0.161392E-02    0.404681E+03 -0.398814E-05 0.360360E-03    0.187935E+05
  21    0.505050E-03    0.398705E+03 -0.126672E-05 0.360360E-03    0.758742E+04
  22   -0.414479E-03    0.387793E+03  0.106882E-05 0.360360E-03    0.552976E+04
  23   -0.641439E-03    0.366980E+03  0.174789E-05 0.360360E-03    0.602844E+04
  24    0.459585E-03    0.365004E+03 -0.125912E-05 0.360360E-03    0.956055E+04
  25   -0.993840E-03    0.353790E+03  0.280912E-05 0.360360E-03    0.346035E+05
  26    0.121674E-02    0.347524E+03 -0.350116E-05 0.360360E-03    0.151571E+06
  27    0.859474E-03    0.326031E+03 -0.263618E-05 0.360360E-03    0.333321E+05
  28    0.774825E-03    0.323641E+03 -0.239409E-05 0.360360E-03    0.404489E+05
  29   -0.368223E-03    0.319140E+03  0.115380E-05 0.360360E-03    0.239339E+06
  30   -0.648734E-03    0.314657E+03  0.206172E-05 0.360360E-03    0.132881E+06
  31    0.559593E-04    0.305419E+03 -0.183221E-06 0.360360E-03    0.312235E+04
  32    0.203423E-03    0.287265E+03 -0.708135E-06 0.360360E-03    0.421093E+04
  33    0.412890E-03    0.280199E+03 -0.147356E-05 0.360360E-03    0.936255E+04
  34    0.258250E-03    0.272298E+03 -0.948408E-06 0.360360E-03    0.228493E+04
  35    0.110802E-02    0.266014E+03 -0.416526E-05 0.360360E-03    0.885755E+05
  36    0.126123E-03    0.261588E+03 -0.482143E-06 0.360360E-03    0.166142E+04
  37   -0.445211E-03    0.257782E+03  0.172708E-05 0.360360E-03    0.761725E+05
  38   -0.307970E-03    0.253417E+03  0.121527E-05 0.360360E-03    0.241604E+06
  39   -0.721783E-03    0.245598E+03  0.293888E-05 0.360360E-03    0.709508E+05
  40    0.649601E-05    0.240451E+03 -0.270159E-07 0.360360E-03    0.372485E+03
  41    0.998608E-04    0.233404E+03 -0.427846E-06 0.360360E-03    0.504162E+04
  42   -0.614873E-04    0.228226E+03  0.269414E-06 0.360360E-03    0.381320E+04
  43    0.127444E-03    0.226464E+03 -0.562757E-06 0.360360E-03    0.412027E+05
  44    0.159516E-03    0.213597E+03 -0.746811E-06 0.360360E-03    0.153053E+05
  45   -0.184549E-03    0.211488E+03  0.872622E-06 0.360360E-03    0.692982E+04
  46    0.281683E-03    0.209825E+03 -0.134247E-05 0.360360E-03    0.182608E+05
  47   -0.829999E-03    0.202774E+03  0.409322E-05 0.360360E-03    0.186114E+06
  48   -0.235118E-03    0.199071E+03  0.118108E-05 0.360360E-03    0.141631E+05
  49    0.385800E-03    0.195080E+03 -0.197765E-05 0.360360E-03    0.219163E+05
  50   -0.462148E-03    0.191832E+03  0.240912E-05 0.360360E-03    0.209403E+05
  51   -0.333246E-03    0.186514E+03  0.178671E-05 0.360360E-03    0.862289E+04
  52    0.549747E-04    0.179617E+03 -0.306066E-06 0.360360E-03    0.445915E+03
  53   -0.408387E-03    0.170783E+03  0.239126E-05 0.360360E-03    0.890408E+03
  54   -0.620335E-04    0.168056E+03  0.369125E-06 0.360360E-03    0.989549E+03
  55   -0.752594E-03    0.165883E+03  0.453691E-05 0.360360E-03    0.140179E+04
  56    0.291276E-03    0.160787E+03 -0.181156E-05 0.360360E-03    0.157349E+04
  57    0.158200E-03    0.154410E+03 -0.102455E-05 0.360360E-03    0.762244E+03
  58    0.662008E-03    0.151103E+03 -0.438116E-05 0.360360E-03    0.876361E+04
  59    0.251616E-03    0.147924E+03 -0.170099E-05 0.360360E-03    0.107434E+03
  60   -0.429578E-03    0.142066E+03  0.302380E-05 0.360360E-03    0.158681E+03
  61   -0.407211E-03    0.136829E+03  0.297605E-05 0.360360E-03    0.819978E+04
  62   -0.137328E-02    0.134347E+03  0.102219E-04 0.360360E-03    0.472654E+04
  63   -0.837278E-03    0.131046E+03  0.638917E-05 0.360360E-03    0.436649E+04
  64    0.100543E-03    0.127746E+03 -0.787056E-06 0.360360E-03    0.256952E+03
  65    0.214752E-03    0.125397E+03 -0.171258E-05 0.360360E-03    0.458139E+03
  66   -0.777615E-03    0.123759E+03  0.628331E-05 0.360360E-03    0.112096E+04
  67    0.775742E-04    0.119476E+03 -0.649285E-06 0.360360E-03    0.174978E+04
  68    0.167342E-03    0.118120E+03 -0.141671E-05 0.360360E-03    0.216837E+03
  69   -0.177170E-03    0.115996E+03  0.152738E-05 0.360360E-03    0.283202E+03
  70   -0.651246E-04    0.113201E+03  0.575300E-06 0.360360E-03    0.756207E+02
  71   -0.284792E-04    0.110718E+03  0.257224E-06 0.360360E-03    0.334795E+02
  72   -0.788755E-03    0.105953E+03  0.744438E-05 0.360360E-03    0.532265E+03
  73   -0.108241E-03    0.102914E+03  0.105176E-05 0.360360E-03    0.151572E+03
  74    0.968805E-03    0.100897E+03 -0.960191E-05 0.360360E-03    0.507045E+04
  75   -0.342584E-03    0.971425E+02  0.352661E-05 0.360360E-03    0.336944E+03
  76   -0.681409E-03    0.949654E+02  0.717534E-05 0.360360E-03    0.336137E+03
  77    0.395573E-04    0.919671E+02 -0.430124E-06 0.360360E-03    0.550794E+02
  78    0.110861E-02    0.901484E+02 -0.122976E-04 0.360360E-03    0.122811E+05
  79    0.154368E-02    0.871509E+02 -0.177127E-04 0.360360E-03    0.841778E+04
  80   -0.213482E-03    0.844212E+02  0.252877E-05 0.360360E-03    0.743547E+03
  81   -0.295592E-03    0.809992E+02  0.364932E-05 0.360360E-03    0.461203E+04
  82    0.487916E-03    0.789801E+02 -0.617770E-05 0.360360E-03    0.111815E+04
  83   -0.870120E-03    0.786415E+02  0.110644E-04 0.360360E-03    0.330549E+05
  84   -0.344369E-03    0.732806E+02  0.469932E-05 0.360360E-03    0.307737E+03
  85   -0.888185E-03    0.710339E+02  0.125037E-04 0.360360E-03    0.885013E+04
  86   -0.973741E-03    0.701979E+02  0.138714E-04 0.360360E-03    0.243959E+04
  87    0.552910E-03    0.673038E+02 -0.821513E-05 0.360360E-03    0.108635E+04
  88    0.109176E-04    0.640446E+02 -0.170468E-06 0.360360E-03    0.220885E+02
  89   -0.829187E-03    0.624974E+02  0.132675E-04 0.360360E-03    0.680471E+03
  90   -0.347476E-03    0.596364E+02  0.582658E-05 0.360360E-03    0.811994E+03
  91    0.143532E-03    0.582877E+02 -0.246248E-05 0.360360E-03    0.111600E+03
  92    0.567524E-03    0.558989E+02 -0.101527E-04 0.360360E-03    0.209984E+04
  93   -0.115920E-02    0.536790E+02  0.215950E-04 0.360360E-03    0.107777E+04
  94    0.357736E-03    0.524974E+02 -0.681436E-05 0.360360E-03    0.711009E+03
  95   -0.117305E-02    0.502271E+02  0.233549E-04 0.360360E-03    0.874731E+03
  96   -0.319880E-03    0.480913E+02  0.665151E-05 0.360360E-03    0.103690E+04
  97   -0.457357E-03    0.440684E+02  0.103783E-04 0.360360E-03    0.137666E+03
  98    0.380816E-03    0.395003E+02 -0.964084E-05 0.360360E-03    0.299220E+03
  99   -0.308967E-03    0.382381E+02  0.808007E-05 0.360360E-03    0.372199E+03
 100    0.908220E-03    0.359194E+02 -0.252850E-04 0.360360E-03    0.701054E+03
 101   -0.179495E-02    0.342928E+02  0.523417E-04 0.360360E-03    0.837113E+04
 102   -0.881320E-03    0.305023E+02  0.288936E-04 0.360360E-03    0.677528E+03
 103    0.547227E-03    0.291016E+02 -0.188041E-04 0.360360E-03    0.236557E+03
 104   -0.912708E-03    0.286674E+02  0.318379E-04 0.360360E-03    0.339507E+03
 105   -0.879833E-05    0.239831E+02  0.366856E-06 0.360360E-03    0.392037E+02
 106    0.230795E-03    0.218392E+02 -0.105679E-04 0.360360E-03    0.270456E+03
 107   -0.119582E-02    0.199008E+02  0.600890E-04 0.360360E-03    0.503470E+03
 108   -0.176693E-02    0.161707E+02  0.109267E-03 0.360360E-03    0.120009E+04
 109   -0.890023E-03    0.141157E+02  0.630520E-04 0.360360E-03    0.196369E+04
 110    0.892426E-04    0.130907E+02 -0.681725E-05 0.360360E-03    0.228041E+03
 111    0.751657E-03    0.121032E+02 -0.621039E-04 0.360360E-03    0.450444E+03
 112    0.563942E-03    0.922306E+01 -0.611448E-04 0.360360E-03    0.302136E+03
 113   -0.146404E-02    0.744584E+01  0.196624E-03 0.360360E-03    0.564227E+03
 114   -0.451124E-01    0.458560E+01 -0.400000E-03 0.400000E-03    0.162035E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9836887116E-02

 Beginning of optimization cycle    3.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4028599310
 potential> RMS force:                                               0.0043966884   |gradient|=.4694378565E-01
 Eigenvalues of the Hessian matrix:
   713.79827    668.63996    620.68010    601.09923    589.11455    561.75367 
   557.96694    476.81795    472.40550    464.62264    441.93325    432.82946 
   419.65195    404.69051    398.70075    387.80041    366.99238    364.99713 
   353.78390    347.47722    325.98866    323.65715    319.14058    314.67704 
   305.42044    287.27042    280.19302    272.29847    266.01693    261.61041 
   257.79828    253.42389    245.58483    240.45981    233.43215    228.23943 
   226.45456    213.59047    211.48542    209.84484    202.77906    199.07947 
   195.08258    191.83622    186.51014    179.60243    170.77756    168.06658 
   165.88127    160.78603    154.40349    151.10917    147.93313    142.06890 
   136.82810    134.35007    131.04003    127.74204    125.40238    123.76707 
   119.48081    118.12011    116.00058    113.18689    110.70819    105.94906 
   102.91327    100.89778     97.14194     94.96879     91.96506     90.15449 
    87.16354     84.42405     81.00633     78.97447     78.64865     73.27702 
    71.03147     70.19244     67.30729     64.03825     62.49097     59.63595 
    58.29067     55.89162     53.67890     52.49469     50.22984     48.08963 
    44.06007     39.50104     38.22288     35.91163     34.29570     30.49032 
    29.10325     28.66769     23.98313     21.84130     19.88801     16.17203 
    14.11129     13.08539     12.10045      9.22620      7.44126      4.57695 
overlap for current and previous eigenvector    109 is         0.9999901107
overlap for current and previous eigenvector    110 is         0.9999908211
overlap for current and previous eigenvector    111 is         0.9999874710
overlap for current and previous eigenvector    112 is         0.9999996936
overlap for current and previous eigenvector    113 is         0.9999995455
overlap for current and previous eigenvector    114 is         0.9999995892
J1,K1,R1,R2,RAT=   7   7    0.9938636708         1.006035936        0.6035936123E-02
FOB,PFOB,DIAG,PSTEP=    0.8772522228E-06    0.1441322816E-03     713.7982710       -0.2019331270E-06
J1,K1,R1,R2,RAT=   8   8     1.002817174        0.9970992037        0.2817174158E-02
FOB,PFOB,DIAG,PSTEP=    0.5452179196E-06   -0.1906953258E-03     668.6399561        0.2852107439E-06
J1,K1,R1,R2,RAT=   9   9     1.005575257        0.9944855855        0.5514414514E-02
FOB,PFOB,DIAG,PSTEP=   -0.2365509791E-06    0.4266279060E-04     620.6800972       -0.6873346346E-07
J1,K1,R1,R2,RAT=  10  10     1.000945167        0.9991060294        0.8939705761E-03
FOB,PFOB,DIAG,PSTEP=   -0.3139324641E-06    0.3413996534E-03     601.0992345       -0.5679443506E-06
J1,K1,R1,R2,RAT=  11  11     1.000329507        0.9997788977        0.2211022823E-03
FOB,PFOB,DIAG,PSTEP=    0.9517403741E-07   -0.3457230045E-03     589.1145541        0.5868201084E-06
J1,K1,R1,R2,RAT= 109 109    0.9846809790         1.015942777        0.1531902099E-01
FOB,PFOB,DIAG,PSTEP=   -0.1390751923E-04   -0.8900228143E-03     14.11129329        0.6305200410E-04
J1,K1,R1,R2,RAT= 110 110    0.8817864303         1.119025607        0.1182135697    
FOB,PFOB,DIAG,PSTEP=    0.1058162485E-04    0.8924260603E-04     13.08539073       -0.6817250506E-05
J1,K1,R1,R2,RAT= 111 111    0.9643546430         1.036102622        0.3564535695E-01
FOB,PFOB,DIAG,PSTEP=    0.2695876021E-04    0.7516566838E-03     12.10044792       -0.6210388861E-04
J1,K1,R1,R2,RAT= 112 112     1.008780497        0.9905373036        0.8780496990E-02
FOB,PFOB,DIAG,PSTEP=   -0.5145807073E-05    0.5639420404E-03     9.226204347       -0.6114480509E-04
J1,K1,R1,R2,RAT= 113 113    0.9914188635         1.009813242        0.8581136467E-02
FOB,PFOB,DIAG,PSTEP=   -0.1345671782E-04   -0.1464035110E-02     7.441260937        0.1966244371E-03
J1,K1,R1,R2,RAT= 114 114     1.000326098        -50.28243042        0.3260978658E-03
FOB,PFOB,DIAG,PSTEP=   -0.4694376103E-01   -0.4511238252E-01     4.576953758       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00001     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00001     -0.00000 
     0.00000     -0.00000     -0.00001     -0.00001      0.00001     -0.00000 
    -0.00001      0.00001      0.00003     -0.00001     -0.00001     -0.04694 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4298114568
 Log product of positive Hessian eigenvalues =          520.5269080071
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5769537576
 Unscaled step for mode    7=       -0.0000000012
 Unscaled step for mode    8=       -0.0000000008
 Unscaled step for mode    9=        0.0000000004
 Unscaled step for mode   10=        0.0000000005
 Unscaled step for mode   11=       -0.0000000002
 Unscaled step for mode   12=       -0.0000000010
 Unscaled step for mode   13=        0.0000000004
 Unscaled step for mode   14=        0.0000000031
 Unscaled step for mode   15=       -0.0000000014
 Unscaled step for mode   16=        0.0000000023
 Unscaled step for mode   17=        0.0000000069
 Unscaled step for mode   18=        0.0000000004
 Unscaled step for mode   19=       -0.0000000041
 Unscaled step for mode   20=       -0.0000000031
 Unscaled step for mode   21=       -0.0000000104
 Unscaled step for mode   22=       -0.0000000018
 Unscaled step for mode   23=        0.0000000007
 Unscaled step for mode   24=        0.0000000010
 Unscaled step for mode   25=        0.0000000082
 Unscaled step for mode   26=       -0.0000000196
 Unscaled step for mode   27=       -0.0000000144
 Unscaled step for mode   28=       -0.0000000097
 Unscaled step for mode   29=        0.0000000100
 Unscaled step for mode   30=        0.0000000102
 Unscaled step for mode   31=        0.0000000116
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000020
 Unscaled step for mode   34=       -0.0000000012
 Unscaled step for mode   35=       -0.0000000128
 Unscaled step for mode   36=       -0.0000000043
 Unscaled step for mode   37=        0.0000000054
 Unscaled step for mode   38=        0.0000000015
 Unscaled step for mode   39=        0.0000000242
 Unscaled step for mode   40=       -0.0000000064
 Unscaled step for mode   41=       -0.0000000101
 Unscaled step for mode   42=        0.0000000049
 Unscaled step for mode   43=       -0.0000000003
 Unscaled step for mode   44=        0.0000000039
 Unscaled step for mode   45=        0.0000000109
 Unscaled step for mode   46=        0.0000000036
 Unscaled step for mode   47=        0.0000000213
 Unscaled step for mode   48=       -0.0000000047
 Unscaled step for mode   49=       -0.0000000039
 Unscaled step for mode   50=       -0.0000000074
 Unscaled step for mode   51=        0.0000000120
 Unscaled step for mode   52=       -0.0000000035
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=       -0.0000000035
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000113
 Unscaled step for mode   57=        0.0000000061
 Unscaled step for mode   58=        0.0000000034
 Unscaled step for mode   59=       -0.0000000040
 Unscaled step for mode   60=        0.0000000028
 Unscaled step for mode   61=       -0.0000000030
 Unscaled step for mode   62=       -0.0000000153
 Unscaled step for mode   63=       -0.0000000002
 Unscaled step for mode   64=        0.0000000069
 Unscaled step for mode   65=        0.0000000068
 Unscaled step for mode   66=        0.0000000183
 Unscaled step for mode   67=        0.0000000113
 Unscaled step for mode   68=       -0.0000000071
 Unscaled step for mode   69=       -0.0000000081
 Unscaled step for mode   70=       -0.0000000138
 Unscaled step for mode   71=       -0.0000000064
 Unscaled step for mode   72=        0.0000000179
 Unscaled step for mode   73=       -0.0000000041
 Unscaled step for mode   74=       -0.0000000453
 Unscaled step for mode   75=        0.0000000321
 Unscaled step for mode   76=        0.0000000276
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=       -0.0000000506
 Unscaled step for mode   79=       -0.0000000367
 Unscaled step for mode   80=        0.0000000104
 Unscaled step for mode   81=        0.0000000365
 Unscaled step for mode   82=       -0.0000000130
 Unscaled step for mode   83=       -0.0000000306
 Unscaled step for mode   84=       -0.0000000062
 Unscaled step for mode   85=        0.0000000381
 Unscaled step for mode   86=        0.0000000845
 Unscaled step for mode   87=        0.0000000199
 Unscaled step for mode   88=       -0.0000000563
 Unscaled step for mode   89=        0.0000000553
 Unscaled step for mode   90=       -0.0000000177
 Unscaled step for mode   91=        0.0000000285
 Unscaled step for mode   92=        0.0000000200
 Unscaled step for mode   93=       -0.0000001192
 Unscaled step for mode   94=        0.0000000338
 Unscaled step for mode   95=        0.0000000885
 Unscaled step for mode   96=       -0.0000000445
 Unscaled step for mode   97=       -0.0000000298
 Unscaled step for mode   98=       -0.0000000053
 Unscaled step for mode   99=        0.0000000788
 Unscaled step for mode  100=       -0.0000000205
 Unscaled step for mode  101=       -0.0000003400
 Unscaled step for mode  102=        0.0000001462
 Unscaled step for mode  103=       -0.0000001284
 Unscaled step for mode  104=        0.0000000627
 Unscaled step for mode  105=        0.0000005522
 Unscaled step for mode  106=        0.0000004462
 Unscaled step for mode  107=       -0.0000004856
 Unscaled step for mode  108=        0.0000002346
 Unscaled step for mode  109=        0.0000009856
 Unscaled step for mode  110=       -0.0000008087
 Unscaled step for mode  111=       -0.0000022279
 Unscaled step for mode  112=        0.0000005577
 Unscaled step for mode  113=        0.0000018084
 Unscaled step for mode  114=       -0.0102554726
 Largest modulus ratio of non-zero e/values=           155.9548793    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.859230E-16    0.101872E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.704189E-15    0.100788E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.105450E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.203600E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.432793E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.539424E-15    0.973403E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.877252E-06    0.713798E+03 -0.122899E-08 0.392793E-03    0.603594E-02
   8    0.545218E-06    0.668640E+03 -0.815413E-09 0.392793E-03    0.281717E-02
   9   -0.236551E-06    0.620680E+03  0.381116E-09 0.392793E-03    0.551441E-02
  10   -0.313932E-06    0.601099E+03  0.522264E-09 0.392793E-03    0.893971E-03
  11    0.951740E-07    0.589115E+03 -0.161554E-09 0.392793E-03    0.221102E-03
  12    0.587641E-06    0.561754E+03 -0.104608E-08 0.392793E-03    0.867074E-03
  13   -0.195716E-06    0.557967E+03  0.350767E-09 0.392793E-03    0.142693E-03
  14   -0.148780E-05    0.476818E+03  0.312027E-08 0.392793E-03    0.110471E-02
  15    0.668323E-06    0.472406E+03 -0.141472E-08 0.392793E-03    0.147477E-02
  16   -0.106462E-05    0.464623E+03  0.229136E-08 0.392793E-03    0.773221E-02
  17   -0.306114E-05    0.441933E+03  0.692670E-08 0.392793E-03    0.263645E-01
  18   -0.177713E-06    0.432829E+03  0.410584E-09 0.392793E-03    0.295803E-03
  19    0.170527E-05    0.419652E+03 -0.406354E-08 0.392793E-03    0.183647E-02
  20    0.125624E-05    0.404691E+03 -0.310419E-08 0.392793E-03    0.753684E-03
  21    0.412853E-05    0.398701E+03 -0.103549E-07 0.392793E-03    0.816282E-02
  22    0.683044E-06    0.387800E+03 -0.176133E-08 0.392793E-03    0.162910E-02
  23   -0.241148E-06    0.366992E+03  0.657092E-09 0.392793E-03    0.341408E-03
  24   -0.362797E-06    0.364997E+03  0.993971E-09 0.392793E-03    0.769654E-03
  25   -0.290744E-05    0.353784E+03  0.821812E-08 0.392793E-03    0.290769E-02
  26    0.681476E-05    0.347477E+03 -0.196121E-07 0.392793E-03    0.546580E-02
  27    0.468181E-05    0.325989E+03 -0.143619E-07 0.392793E-03    0.531934E-02
  28    0.315473E-05    0.323657E+03 -0.974713E-08 0.392793E-03    0.402057E-02
  29   -0.319521E-05    0.319141E+03  0.100119E-07 0.392793E-03    0.867442E-02
  30   -0.320407E-05    0.314677E+03  0.101821E-07 0.392793E-03    0.487620E-02
  31   -0.353833E-05    0.305420E+03  0.115851E-07 0.392793E-03    0.632261E-01
  32   -0.119406E-05    0.287270E+03  0.415658E-08 0.392793E-03    0.585202E-02
  33    0.555415E-06    0.280193E+03 -0.198226E-08 0.392793E-03    0.132445E-02
  34    0.324762E-06    0.272298E+03 -0.119267E-08 0.392793E-03    0.125686E-02
  35    0.339341E-05    0.266017E+03 -0.127564E-07 0.392793E-03    0.305115E-02
  36    0.113193E-05    0.261610E+03 -0.432678E-08 0.392793E-03    0.889011E-02
  37   -0.138357E-05    0.257798E+03  0.536689E-08 0.392793E-03    0.304528E-02
  38   -0.377750E-06    0.253424E+03  0.149059E-08 0.392793E-03    0.119867E-02
  39   -0.593144E-05    0.245585E+03  0.241523E-07 0.392793E-03    0.816415E-02
  40    0.153553E-05    0.240460E+03 -0.638582E-08 0.324649E-03    0.236338E+00
  41    0.236266E-05    0.233432E+03 -0.101214E-07 0.392793E-03    0.235352E-01
  42   -0.111132E-05    0.228239E+03  0.486910E-08 0.392793E-03    0.180157E-01
  43    0.701248E-07    0.226455E+03 -0.309664E-09 0.392793E-03    0.506675E-03
  44   -0.827072E-06    0.213590E+03  0.387223E-08 0.392793E-03    0.515610E-02
  45   -0.230290E-05    0.211485E+03  0.108892E-07 0.392793E-03    0.124657E-01
  46   -0.755811E-06    0.209845E+03  0.360176E-08 0.392793E-03    0.258610E-02
  47   -0.432550E-05    0.202779E+03  0.213311E-07 0.392793E-03    0.518637E-02
  48    0.935017E-06    0.199079E+03 -0.469670E-08 0.392793E-03    0.393326E-02
  49    0.756366E-06    0.195083E+03 -0.387716E-08 0.392793E-03    0.194629E-02
  50    0.141540E-05    0.191836E+03 -0.737817E-08 0.392793E-03    0.304265E-02
  51   -0.224134E-05    0.186510E+03  0.120172E-07 0.392793E-03    0.670593E-02
  52    0.635059E-06    0.179602E+03 -0.353592E-08 0.392793E-03    0.114701E-01
  53   -0.114795E-06    0.170778E+03  0.672190E-09 0.392793E-03    0.246521E-03
  54    0.580970E-06    0.168067E+03 -0.345679E-08 0.392793E-03    0.929949E-02
  55   -0.830717E-06    0.165881E+03  0.500790E-08 0.392793E-03    0.109575E-02
  56    0.181479E-05    0.160786E+03 -0.112870E-07 0.392793E-03    0.622621E-02
  57   -0.937463E-06    0.154403E+03  0.607151E-08 0.392793E-03    0.588638E-02
  58   -0.512693E-06    0.151109E+03  0.339287E-08 0.392793E-03    0.735194E-03
  59    0.593364E-06    0.147933E+03 -0.401103E-08 0.392793E-03    0.229350E-02
  60   -0.404869E-06    0.142069E+03  0.284981E-08 0.392793E-03    0.919879E-03
  61    0.414408E-06    0.136828E+03 -0.302868E-08 0.392793E-03    0.100809E-02
  62    0.206013E-05    0.134350E+03 -0.153341E-07 0.392793E-03    0.147635E-02
  63    0.280243E-07    0.131040E+03 -0.213861E-09 0.392793E-03    0.151119E-04
  64   -0.880008E-06    0.127742E+03  0.688894E-08 0.392793E-03    0.872290E-02
  65   -0.855466E-06    0.125402E+03  0.682177E-08 0.392793E-03    0.393645E-02
  66   -0.226213E-05    0.123767E+03  0.182773E-07 0.392793E-03    0.284197E-02
  67   -0.134942E-05    0.119481E+03  0.112940E-07 0.392793E-03    0.173563E-01
  68    0.843402E-06    0.118120E+03 -0.714021E-08 0.392793E-03    0.503753E-02
  69    0.934209E-06    0.116001E+03 -0.805349E-08 0.392793E-03    0.523040E-02
  70    0.156632E-05    0.113187E+03 -0.138384E-07 0.392793E-03    0.239296E-01
  71    0.708910E-06    0.110708E+03 -0.640341E-08 0.392793E-03    0.248089E-01
  72   -0.189449E-05    0.105949E+03  0.178811E-07 0.392793E-03    0.236320E-02
  73    0.426412E-06    0.102913E+03 -0.414341E-08 0.392793E-03    0.392996E-02
  74    0.456833E-05    0.100898E+03 -0.452768E-07 0.392793E-03    0.470898E-02
  75   -0.311545E-05    0.971419E+02  0.320711E-07 0.392793E-03    0.908863E-02
  76   -0.262441E-05    0.949688E+02  0.276345E-07 0.392793E-03    0.381524E-02
  77   -0.155073E-05    0.919651E+02  0.168622E-07 0.392793E-03    0.391813E-01
  78    0.456037E-05    0.901545E+02 -0.505840E-07 0.392793E-03    0.404587E-02
  79    0.319893E-05    0.871635E+02 -0.367003E-07 0.392793E-03    0.192746E-02
  80   -0.873841E-06    0.844240E+02  0.103506E-07 0.392793E-03    0.405961E-02
  81   -0.295968E-05    0.810063E+02  0.365364E-07 0.392793E-03    0.992349E-02
  82    0.102878E-05    0.789745E+02 -0.130267E-07 0.392793E-03    0.203695E-02
  83    0.240431E-05    0.786486E+02 -0.305703E-07 0.392793E-03    0.267158E-02
  84    0.454475E-06    0.732770E+02 -0.620215E-08 0.392793E-03    0.127089E-02
  85   -0.270491E-05    0.710315E+02  0.380804E-07 0.392793E-03    0.301074E-02
  86   -0.592925E-05    0.701924E+02  0.844713E-07 0.392793E-03    0.601220E-02
  87   -0.134102E-05    0.673073E+02  0.199238E-07 0.392793E-03    0.237400E-02
  88    0.360537E-05    0.640383E+02 -0.563002E-07 0.324649E-03    0.330168E+00
  89   -0.345416E-05    0.624910E+02  0.552746E-07 0.392793E-03    0.406271E-02
  90    0.105459E-05    0.596360E+02 -0.176838E-07 0.392793E-03    0.302678E-02
  91   -0.166022E-05    0.582907E+02  0.284817E-07 0.392793E-03    0.115153E-01
  92   -0.111559E-05    0.558916E+02  0.199599E-07 0.392793E-03    0.183608E-02
  93    0.639686E-05    0.536789E+02 -0.119169E-06 0.392793E-03    0.551633E-02
  94   -0.177398E-05    0.524947E+02  0.337935E-07 0.392793E-03    0.490721E-02
  95   -0.444760E-05    0.502298E+02  0.885450E-07 0.392793E-03    0.373640E-02
  96    0.214197E-05    0.480896E+02 -0.445412E-07 0.392793E-03    0.666246E-02
  97    0.131291E-05    0.440601E+02 -0.297981E-07 0.392793E-03    0.268297E-02
  98    0.207550E-06    0.395010E+02 -0.525428E-08 0.392793E-03    0.525283E-03
  99   -0.301159E-05    0.382229E+02  0.787901E-07 0.392793E-03    0.935261E-02
 100    0.735882E-06    0.359116E+02 -0.204915E-07 0.392793E-03    0.594590E-03
 101    0.116595E-04    0.342957E+02 -0.339970E-06 0.392793E-03    0.641180E-02
 102   -0.445890E-05    0.304903E+02  0.146240E-06 0.392793E-03    0.466923E-02
 103    0.373580E-05    0.291033E+02 -0.128364E-06 0.392793E-03    0.676834E-02
 104   -0.179788E-05    0.286677E+02  0.627145E-07 0.392793E-03    0.195826E-02
 105   -0.132424E-04    0.239831E+02  0.552153E-06 0.324649E-03    0.494901E+00
 106   -0.974629E-05    0.218413E+02  0.446232E-06 0.392793E-03    0.421289E-01
 107    0.965671E-05    0.198880E+02 -0.485554E-06 0.392793E-03    0.743533E-02
 108   -0.379431E-05    0.161720E+02  0.234622E-06 0.392793E-03    0.206662E-02
 109   -0.139075E-04    0.141113E+02  0.985560E-06 0.392793E-03    0.153190E-01
 110    0.105816E-04    0.130854E+02 -0.808659E-06 0.392793E-03    0.118214E+00
 111    0.269588E-04    0.121004E+02 -0.222791E-05 0.392793E-03    0.356454E-01
 112   -0.514581E-05    0.922620E+01  0.557738E-06 0.392793E-03    0.878050E-02
 113   -0.134567E-04    0.744126E+01  0.180839E-05 0.392793E-03    0.858114E-02
 114   -0.469438E-01    0.457695E+01 -0.400000E-03 0.400000E-03    0.326098E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1025547257E-01

 Beginning of optimization cycle    4.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4028407873
 potential> RMS force:                                               0.0045682360   |gradient|=.4877541350E-01
 Eigenvalues of the Hessian matrix:
   713.85654    668.66235    620.71421    601.13010    589.12649    561.77970 
   558.00275    476.82890    472.38471    464.60861    441.92754    432.81653 
   419.65801    404.69947    398.69737    387.80766    366.98994    364.98624 
   353.77044    347.43700    325.95339    323.66088    319.13868    314.69952 
   305.42070    287.26999    280.19172    272.28927    266.01247    261.61269 
   257.79353    253.42132    245.56837    240.44911    233.43778    228.24134 
   226.43680    213.57788    211.47795    209.85030    202.77941    199.07391 
   195.08393    191.83319    186.51337    179.58828    170.77472    168.06845 
   165.87984    160.78529    154.39526    151.10804    147.93922    142.07492 
   136.82920    134.35261    131.04037    127.74170    125.40528    123.77654 
   119.47937    118.11741    116.00448    113.18350    110.70544    105.94520 
   102.91158    100.89403     97.14415     94.96942     91.95774     90.15816 
    87.17233     84.42367     81.00375     78.97445     78.65090     73.27500 
    71.03505     70.18461     67.31129     64.03144     62.49068     59.63684 
    58.29332     55.89075     53.67999     52.49239     50.23092     48.08878 
    44.05645     39.50480     38.21619     35.91588     34.29795     30.48020 
    29.10186     28.66810     23.97725     21.84137     19.88199     16.17862 
    14.10807     13.08068     12.09722      9.22815      7.44386      4.58134 
overlap for current and previous eigenvector    109 is         0.9999910770
overlap for current and previous eigenvector    110 is        -0.9999935068
overlap for current and previous eigenvector    111 is        -0.9999955702
overlap for current and previous eigenvector    112 is        -0.9999996090
overlap for current and previous eigenvector    113 is        -0.9999991495
overlap for current and previous eigenvector    114 is        -0.9999988601
J1,K1,R1,R2,RAT=   7   7    0.6815033055         1.318333449        0.3183334492    
FOB,PFOB,DIAG,PSTEP=    0.2793531311E-06    0.8772522228E-06     713.8565379       -0.1228991801E-08
J1,K1,R1,R2,RAT=   8   8     1.416497845        0.5834351597        0.4164978446    
FOB,PFOB,DIAG,PSTEP=   -0.2271079596E-06    0.5452179196E-06     668.6623548       -0.8154133097E-09
J1,K1,R1,R2,RAT=   9   9     1.719587828        0.2803022525        0.7195878283    
FOB,PFOB,DIAG,PSTEP=    0.1702415625E-06   -0.2365509791E-06     620.7142114        0.3811157796E-09
J1,K1,R1,R2,RAT=  10  10     3.431198021        -1.431300696        0.4313006964    
FOB,PFOB,DIAG,PSTEP=    0.7632872873E-06   -0.3139324641E-06     601.1300951        0.5222639558E-09
J1,K1,R1,R2,RAT=  11  11     8.270135863        -6.270176376         5.270176376    
FOB,PFOB,DIAG,PSTEP=   -0.6919441267E-06    0.9517403741E-07     589.1264876       -0.1615543815E-09
J1,K1,R1,R2,RAT= 109 109   -0.3937236881         2.394180704        0.6062763119    
FOB,PFOB,DIAG,PSTEP=   -0.1938198803E-04   -0.1390751923E-04     14.10806948        0.9855595051E-06
J1,K1,R1,R2,RAT= 110 110     1.236170725        0.7645494763        0.2354505237    
FOB,PFOB,DIAG,PSTEP=   -0.2494361340E-05    0.1058162485E-04     13.08068037       -0.8086594486E-06
J1,K1,R1,R2,RAT= 111 111     1.718692385        0.2818418635        0.7181581365    
FOB,PFOB,DIAG,PSTEP=   -0.1936268209E-04    0.2695876021E-04     12.09721647       -0.2227914237E-05
J1,K1,R1,R2,RAT= 112 112    -1.970642792         3.970221660        0.9706427916    
FOB,PFOB,DIAG,PSTEP=   -0.1528849039E-04   -0.5145807073E-05     9.228147479        0.5577382508E-06
J1,K1,R1,R2,RAT= 113 113     4.434890777        -2.435590229         1.435590229    
FOB,PFOB,DIAG,PSTEP=    0.4624323458E-04   -0.1345671782E-04     7.443864251        0.1808392145E-05
J1,K1,R1,R2,RAT= 114 114    -52.23310962        0.9994826107        0.5173893085E-03
FOB,PFOB,DIAG,PSTEP=    0.4877534999E-01   -0.4694376103E-01     4.581342740       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00001     -0.00000     -0.00000      0.00000      0.00001 
    -0.00001      0.00000     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00001     -0.00001     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000     -0.00001     -0.00000     -0.00001     -0.00000 
     0.00000      0.00000     -0.00000      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001     -0.00000      0.00000     -0.00002     -0.00003 
    -0.00002     -0.00000     -0.00002     -0.00002      0.00005      0.04878 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4298923606
 Log product of positive Hessian eigenvalues =          520.5267280909
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5813427405
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000013
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000026
 Unscaled step for mode   13=       -0.0000000031
 Unscaled step for mode   14=        0.0000000063
 Unscaled step for mode   15=       -0.0000000022
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000033
 Unscaled step for mode   19=       -0.0000000055
 Unscaled step for mode   20=       -0.0000000098
 Unscaled step for mode   21=       -0.0000000035
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000041
 Unscaled step for mode   24=       -0.0000000030
 Unscaled step for mode   25=        0.0000000075
 Unscaled step for mode   26=       -0.0000000101
 Unscaled step for mode   27=       -0.0000000077
 Unscaled step for mode   28=       -0.0000000067
 Unscaled step for mode   29=        0.0000000039
 Unscaled step for mode   30=        0.0000000056
 Unscaled step for mode   31=        0.0000000001
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000045
 Unscaled step for mode   34=       -0.0000000025
 Unscaled step for mode   35=       -0.0000000133
 Unscaled step for mode   36=       -0.0000000014
 Unscaled step for mode   37=        0.0000000055
 Unscaled step for mode   38=        0.0000000040
 Unscaled step for mode   39=        0.0000000098
 Unscaled step for mode   40=       -0.0000000007
 Unscaled step for mode   41=       -0.0000000022
 Unscaled step for mode   42=        0.0000000012
 Unscaled step for mode   43=       -0.0000000017
 Unscaled step for mode   44=       -0.0000000020
 Unscaled step for mode   45=        0.0000000041
 Unscaled step for mode   46=       -0.0000000036
 Unscaled step for mode   47=        0.0000000153
 Unscaled step for mode   48=        0.0000000042
 Unscaled step for mode   49=       -0.0000000073
 Unscaled step for mode   50=        0.0000000080
 Unscaled step for mode   51=        0.0000000070
 Unscaled step for mode   52=       -0.0000000014
 Unscaled step for mode   53=        0.0000000090
 Unscaled step for mode   54=       -0.0000000011
 Unscaled step for mode   55=        0.0000000174
 Unscaled step for mode   56=       -0.0000000072
 Unscaled step for mode   57=        0.0000000035
 Unscaled step for mode   58=       -0.0000000161
 Unscaled step for mode   59=        0.0000000078
 Unscaled step for mode   60=       -0.0000000135
 Unscaled step for mode   61=        0.0000000125
 Unscaled step for mode   62=        0.0000000429
 Unscaled step for mode   63=        0.0000000274
 Unscaled step for mode   64=        0.0000000034
 Unscaled step for mode   65=        0.0000000073
 Unscaled step for mode   66=       -0.0000000285
 Unscaled step for mode   67=        0.0000000031
 Unscaled step for mode   68=        0.0000000071
 Unscaled step for mode   69=        0.0000000063
 Unscaled step for mode   70=       -0.0000000049
 Unscaled step for mode   71=        0.0000000014
 Unscaled step for mode   72=       -0.0000000369
 Unscaled step for mode   73=        0.0000000047
 Unscaled step for mode   74=       -0.0000000501
 Unscaled step for mode   75=        0.0000000208
 Unscaled step for mode   76=        0.0000000384
 Unscaled step for mode   77=       -0.0000000008
 Unscaled step for mode   78=       -0.0000000694
 Unscaled step for mode   79=        0.0000001000
 Unscaled step for mode   80=       -0.0000000145
 Unscaled step for mode   81=        0.0000000224
 Unscaled step for mode   82=        0.0000000351
 Unscaled step for mode   83=       -0.0000000663
 Unscaled step for mode   84=        0.0000000296
 Unscaled step for mode   85=        0.0000000808
 Unscaled step for mode   86=        0.0000000931
 Unscaled step for mode   87=        0.0000000505
 Unscaled step for mode   88=        0.0000000052
 Unscaled step for mode   89=       -0.0000000947
 Unscaled step for mode   90=       -0.0000000408
 Unscaled step for mode   91=       -0.0000000174
 Unscaled step for mode   92=       -0.0000000788
 Unscaled step for mode   93=        0.0000001714
 Unscaled step for mode   94=        0.0000000533
 Unscaled step for mode   95=        0.0000001915
 Unscaled step for mode   96=        0.0000000563
 Unscaled step for mode   97=       -0.0000000979
 Unscaled step for mode   98=       -0.0000000943
 Unscaled step for mode   99=        0.0000000866
 Unscaled step for mode  100=       -0.0000002570
 Unscaled step for mode  101=        0.0000005889
 Unscaled step for mode  102=        0.0000003477
 Unscaled step for mode  103=       -0.0000002429
 Unscaled step for mode  104=        0.0000003922
 Unscaled step for mode  105=        0.0000000380
 Unscaled step for mode  106=       -0.0000001246
 Unscaled step for mode  107=        0.0000009394
 Unscaled step for mode  108=        0.0000020634
 Unscaled step for mode  109=        0.0000013738
 Unscaled step for mode  110=        0.0000001907
 Unscaled step for mode  111=        0.0000016006
 Unscaled step for mode  112=        0.0000016567
 Unscaled step for mode  113=       -0.0000062123
 Unscaled step for mode  114=        0.0106453120
 Largest modulus ratio of non-zero e/values=           155.8181909    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.161817E-15    0.101872E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.673777E-15    0.100788E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.153753E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.115874E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.547522E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.160675E-15    0.973404E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.279353E-06    0.713857E+03 -0.391330E-09 0.353867E-03    0.318333E+00
   8   -0.227108E-06    0.668662E+03  0.339645E-09 0.353867E-03    0.416498E+00
   9    0.170242E-06    0.620714E+03 -0.274267E-09 0.353867E-03    0.719588E+00
  10    0.763287E-06    0.601130E+03 -0.126975E-08 0.353867E-03    0.431301E+00
  11   -0.691944E-06    0.589126E+03  0.117453E-08 0.353867E-03    0.527018E+01
  12    0.145089E-05    0.561780E+03 -0.258266E-08 0.353867E-03    0.468934E+00
  13    0.175441E-05    0.558003E+03 -0.314409E-08 0.353867E-03    0.696354E+01
  14   -0.301929E-05    0.476829E+03  0.633201E-08 0.400000E-03    0.293395E-01
  15    0.103220E-05    0.472385E+03 -0.218508E-08 0.353867E-03    0.455512E+00
  16    0.295759E-06    0.464609E+03 -0.636577E-09 0.353867E-03    0.277786E+00
  17    0.214483E-06    0.441928E+03 -0.485335E-09 0.400000E-03    0.700544E-01
  18    0.141601E-05    0.432817E+03 -0.327162E-08 0.353867E-03    0.596818E+01
  19    0.230078E-05    0.419658E+03 -0.548252E-08 0.353867E-03    0.650789E+00
  20    0.396153E-05    0.404699E+03 -0.978882E-08 0.353867E-03    0.115344E+01
  21    0.139415E-05    0.398697E+03 -0.349677E-08 0.353867E-03    0.337682E+00
  22   -0.913908E-06    0.387808E+03  0.235660E-08 0.353867E-03    0.662013E+00
  23   -0.149913E-05    0.366990E+03  0.408494E-08 0.353867E-03    0.421669E+01
  24    0.111104E-05    0.364986E+03 -0.304406E-08 0.353867E-03    0.106250E+01
  25   -0.266152E-05    0.353770E+03  0.752331E-08 0.353867E-03    0.915415E+00
  26    0.351986E-05    0.347437E+03 -0.101309E-07 0.353867E-03    0.516450E+00
  27    0.251657E-05    0.325953E+03 -0.772065E-08 0.353867E-03    0.537471E+00
  28    0.217849E-05    0.323661E+03 -0.673078E-08 0.353867E-03    0.690528E+00
  29   -0.125323E-05    0.319139E+03  0.392690E-08 0.353867E-03    0.392216E+00
  30   -0.175661E-05    0.314700E+03  0.558187E-08 0.353867E-03    0.548132E+00
  31   -0.377151E-07    0.305421E+03  0.123486E-09 0.400000E-03    0.106582E-01
  32    0.450251E-06    0.287270E+03 -0.156734E-08 0.353867E-03    0.377074E+00
  33    0.126231E-05    0.280192E+03 -0.450517E-08 0.353867E-03    0.272743E+00
  34    0.671789E-06    0.272289E+03 -0.246719E-08 0.400000E-03    0.685912E-01
  35    0.352670E-05    0.266012E+03 -0.132577E-07 0.353867E-03    0.960721E+00
  36    0.373254E-06    0.261613E+03 -0.142674E-08 0.353867E-03    0.329738E+00
  37   -0.142911E-05    0.257794E+03  0.554362E-08 0.353867E-03    0.967089E+00
  38   -0.100379E-05    0.253421E+03  0.396094E-08 0.353867E-03    0.657293E+00
  39   -0.241478E-05    0.245568E+03  0.983345E-08 0.353867E-03    0.407076E+00
  40    0.159349E-06    0.240449E+03 -0.662716E-09 0.353867E-03    0.103735E+00
  41    0.523756E-06    0.233438E+03 -0.224366E-08 0.353867E-03    0.221652E+00
  42   -0.280789E-06    0.228241E+03  0.123023E-08 0.353867E-03    0.252652E+00
  43    0.390520E-06    0.226437E+03 -0.172463E-08 0.353867E-03    0.356929E+01
  44    0.428213E-06    0.213578E+03 -0.200495E-08 0.353867E-03    0.517717E+00
  45   -0.872249E-06    0.211478E+03  0.412454E-08 0.353867E-03    0.378739E+00
  46    0.764749E-06    0.209850E+03 -0.364426E-08 0.353867E-03    0.988175E+00
  47   -0.309674E-05    0.202779E+03  0.152715E-07 0.353867E-03    0.715923E+00
  48   -0.833290E-06    0.199074E+03  0.418583E-08 0.353867E-03    0.891200E+00
  49    0.141538E-05    0.195084E+03 -0.725524E-08 0.400000E-03    0.128716E+00
  50   -0.153797E-05    0.191833E+03  0.801725E-08 0.353867E-03    0.913398E+00
  51   -0.130485E-05    0.186513E+03  0.699599E-08 0.353867E-03    0.582146E+00
  52    0.250972E-06    0.179588E+03 -0.139748E-08 0.353867E-03    0.395146E+00
  53   -0.154220E-05    0.170775E+03  0.903064E-08 0.353867E-03    0.114346E+02
  54    0.192167E-06    0.168068E+03 -0.114339E-08 0.353867E-03    0.330754E+00
  55   -0.289177E-05    0.165880E+03  0.174329E-07 0.353867E-03    0.148108E+01
  56    0.115627E-05    0.160785E+03 -0.719139E-08 0.353867E-03    0.637135E+00
  57   -0.537734E-06    0.154395E+03  0.348284E-08 0.353867E-03    0.573583E+00
  58    0.243978E-05    0.151108E+03 -0.161459E-07 0.353867E-03    0.275878E+01
  59   -0.115316E-05    0.147939E+03  0.779483E-08 0.400000E-03    0.566103E-01
  60    0.191550E-05    0.142075E+03 -0.134823E-07 0.353867E-03    0.273099E+01
  61   -0.170395E-05    0.136829E+03  0.124531E-07 0.353867E-03    0.211175E+01
  62   -0.576230E-05    0.134353E+03  0.428894E-07 0.353867E-03    0.797018E+00
  63   -0.359585E-05    0.131040E+03  0.274408E-07 0.353867E-03    0.126311E+03
  64   -0.439144E-06    0.127742E+03  0.343775E-08 0.353867E-03    0.499021E+00
  65   -0.910007E-06    0.125405E+03  0.725653E-08 0.353867E-03    0.936245E+00
  66    0.353312E-05    0.123777E+03 -0.285443E-07 0.353867E-03    0.438185E+00
  67   -0.374894E-06    0.119479E+03  0.313773E-08 0.353867E-03    0.277810E+00
  68   -0.837421E-06    0.118117E+03  0.708974E-08 0.353867E-03    0.992908E+00
  69   -0.727629E-06    0.116004E+03  0.627242E-08 0.353867E-03    0.778812E+00
  70    0.557339E-06    0.113183E+03 -0.492421E-08 0.353867E-03    0.355808E+00
  71   -0.154542E-06    0.110705E+03  0.139597E-08 0.353867E-03    0.217980E+00
  72    0.390505E-05    0.105945E+03 -0.368592E-07 0.400000E-03    0.613095E-01
  73   -0.485476E-06    0.102912E+03  0.471741E-08 0.353867E-03    0.861482E+00
  74    0.505553E-05    0.100894E+03 -0.501073E-07 0.353867E-03    0.893349E+00
  75   -0.201936E-05    0.971441E+02  0.207873E-07 0.353867E-03    0.648140E+00
  76   -0.364563E-05    0.949694E+02  0.383874E-07 0.353867E-03    0.610882E+00
  77    0.756756E-07    0.919577E+02 -0.822939E-09 0.400000E-03    0.487242E-01
  78    0.625773E-05    0.901582E+02 -0.694083E-07 0.353867E-03    0.627818E+00
  79   -0.871644E-05    0.871723E+02  0.999909E-07 0.353867E-03    0.724625E+00
  80    0.122517E-05    0.844237E+02 -0.145121E-07 0.353867E-03    0.597952E+00
  81   -0.181287E-05    0.810037E+02  0.223801E-07 0.353867E-03    0.612511E+00
  82   -0.276915E-05    0.789745E+02  0.350638E-07 0.353867E-03    0.691680E+00
  83    0.521085E-05    0.786509E+02 -0.662529E-07 0.400000E-03    0.167261E+00
  84   -0.216936E-05    0.732750E+02  0.296057E-07 0.353867E-03    0.277343E+01
  85   -0.573712E-05    0.710350E+02  0.807646E-07 0.400000E-03    0.120947E+00
  86   -0.653142E-05    0.701846E+02  0.930606E-07 0.353867E-03    0.898429E+00
  87   -0.339694E-05    0.673113E+02  0.504662E-07 0.353867E-03    0.533018E+00
  88   -0.331507E-06    0.640314E+02  0.517725E-08 0.353867E-03    0.918516E-01
  89    0.591700E-05    0.624907E+02 -0.946862E-07 0.353867E-03    0.286990E+00
  90    0.243423E-05    0.596368E+02 -0.408176E-07 0.353867E-03    0.308206E+00
  91    0.101616E-05    0.582933E+02 -0.174319E-07 0.353867E-03    0.611993E+00
  92    0.440579E-05    0.558907E+02 -0.788285E-07 0.353867E-03    0.194934E+01
  93   -0.920310E-05    0.536800E+02  0.171444E-06 0.353867E-03    0.561318E+00
  94   -0.279671E-05    0.524924E+02  0.532783E-07 0.353867E-03    0.423457E+00
  95   -0.962094E-05    0.502309E+02  0.191534E-06 0.400000E-03    0.163149E+00
  96   -0.270769E-05    0.480888E+02  0.563060E-07 0.353867E-03    0.735883E+00
  97    0.431376E-05    0.440565E+02 -0.979143E-07 0.353867E-03    0.128584E+01
  98    0.372660E-05    0.395048E+02 -0.943330E-07 0.353867E-03    0.159536E+02
  99   -0.330810E-05    0.382162E+02  0.865629E-07 0.353867E-03    0.901523E+00
 100    0.922977E-05    0.359159E+02 -0.256983E-06 0.353867E-03    0.105411E+02
 101   -0.201964E-04    0.342980E+02  0.588850E-06 0.353867E-03    0.267867E+00
 102   -0.105984E-04    0.304802E+02  0.347716E-06 0.353867E-03    0.377377E+00
 103    0.706922E-05    0.291019E+02 -0.242913E-06 0.400000E-03    0.107664E+00
 104   -0.112424E-04    0.286681E+02  0.392158E-06 0.353867E-03    0.425308E+01
 105   -0.910226E-06    0.239773E+02  0.379621E-07 0.353867E-03    0.685077E-01
 106    0.272070E-05    0.218414E+02 -0.124567E-06 0.353867E-03    0.279149E+00
 107   -0.186768E-04    0.198820E+02  0.939385E-06 0.400000E-03    0.656383E-01
 108   -0.333822E-04    0.161786E+02  0.206335E-05 0.353867E-03    0.679480E+01
 109   -0.193820E-04    0.141081E+02  0.137382E-05 0.353867E-03    0.606276E+00
 110   -0.249436E-05    0.130807E+02  0.190690E-06 0.353867E-03    0.235451E+00
 111   -0.193627E-04    0.120972E+02  0.160059E-05 0.353867E-03    0.718158E+00
 112   -0.152885E-04    0.922815E+01  0.165672E-05 0.353867E-03    0.970643E+00
 113    0.462432E-04    0.744386E+01 -0.621226E-05 0.353867E-03    0.143559E+01
 114    0.487753E-01    0.458134E+01  0.400000E-03 0.400000E-03    0.517389E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1064531195E-01

 Beginning of optimization cycle    5.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4028209108
 potential> RMS force:                                               0.0047399393   |gradient|=.5060870281E-01
 Eigenvalues of the Hessian matrix:
   713.91464    668.68506    620.74780    601.16052    589.13787    561.80580 
   558.03878    476.83992    472.36394    464.59469    441.92186    432.80397 
   419.66434    404.70867    398.69423    387.81496    366.98776    364.97534 
   353.75737    347.39701    325.91819    323.66486    319.13692    314.72199 
   305.42108    287.26954    280.19032    272.28030    266.00826    261.61531 
   257.78912    253.41900    245.55197    240.43881    233.44371    228.24345 
   226.41907    213.56540    211.47057    209.85585    202.77981    199.06849 
   195.08541    191.83024    186.51644    179.57394    170.77188    168.07046 
   165.87841    160.78447    154.38709    151.10705    147.94537    142.08087 
   136.83027    134.35531    131.04060    127.74131    125.40824    123.78596 
   119.47797    118.11471    116.00839    113.17991    110.70249    105.94128 
   102.90982    100.89037     97.14626     94.97004     91.95050     90.16182 
    87.18115     84.42336     81.00126     78.97431     78.65316     73.27290 
    71.03838     70.17673     67.31524     64.02460     62.49023     59.63764 
    58.29594     55.88974     53.68095     52.49002     50.23204     48.08788 
    44.05272     39.50840     38.20939     35.91985     34.30020     30.47003 
    29.10053     28.66852     23.97138     21.84147     19.87590     16.18506 
    14.10481     13.07589     12.09391      9.23010      7.44628      4.58557 
overlap for current and previous eigenvector    109 is        -0.9999910641
overlap for current and previous eigenvector    110 is        -0.9999934494
overlap for current and previous eigenvector    111 is        -0.9999953648
overlap for current and previous eigenvector    112 is        -0.9999996215
overlap for current and previous eigenvector    113 is        -0.9999991918
overlap for current and previous eigenvector    114 is         0.9999988952
J1,K1,R1,R2,RAT=   7   7   -0.7886420842E-01     2.078701430        0.9211357916    
FOB,PFOB,DIAG,PSTEP=    0.3013858879E-06    0.2793531311E-06     713.9146427       -0.3913295127E-09
J1,K1,R1,R2,RAT=   8   8    0.1648373313         1.835094755        0.8350947549    
FOB,PFOB,DIAG,PSTEP=   -0.1896708184E-06   -0.2271079596E-06     668.6850613        0.3396452005E-09
J1,K1,R1,R2,RAT=   9   9   -0.9477034962E-01     2.094662123        0.9052296504    
FOB,PFOB,DIAG,PSTEP=    0.1863762880E-06    0.1702415625E-06     620.7478023       -0.2742672221E-09
J1,K1,R1,R2,RAT=  10  10    0.7217487957E-02     1.992681289        0.9926812888    
FOB,PFOB,DIAG,PSTEP=    0.7577779917E-06    0.7632872873E-06     601.1605208       -0.1269753908E-08
J1,K1,R1,R2,RAT=  11  11    0.1342033444E-01     1.986541008        0.9865410077    
FOB,PFOB,DIAG,PSTEP=   -0.6826578256E-06   -0.6919441267E-06     589.1378750        0.1174525575E-08
J1,K1,R1,R2,RAT= 109 109     2.025202416       -0.2474055068E-01    0.9752594493    
FOB,PFOB,DIAG,PSTEP=    0.1986139838E-04   -0.1938198803E-04     14.10481222        0.1373822837E-05
J1,K1,R1,R2,RAT= 110 110     2.011426385       -0.1069305509E-01    0.9893069449    
FOB,PFOB,DIAG,PSTEP=    0.2521023907E-05   -0.2494361340E-05     13.07588590        0.1906904893E-06
J1,K1,R1,R2,RAT= 111 111     2.038935498       -0.3838824358E-01    0.9616117564    
FOB,PFOB,DIAG,PSTEP=    0.2010577811E-04   -0.1936268209E-04     12.09390725        0.1600589866E-05
J1,K1,R1,R2,RAT= 112 112     2.018239808       -0.1866283603E-01    0.9813371640    
FOB,PFOB,DIAG,PSTEP=    0.1557387734E-04   -0.1528849039E-04     9.230099774        0.1656723674E-05
J1,K1,R1,R2,RAT= 113 113     2.013543587       -0.1419304429E-01    0.9858069557    
FOB,PFOB,DIAG,PSTEP=   -0.4689978006E-04    0.4624323458E-04     7.446282272       -0.6212261941E-05
J1,K1,R1,R2,RAT= 114 114    0.9994871189        -54.18294855        0.5128811353E-03
FOB,PFOB,DIAG,PSTEP=    0.5060863924E-01    0.4877534999E-01     4.585574978        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001     -0.00000     -0.00000      0.00000      0.00001 
    -0.00001      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00001     -0.00001     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00001      0.00000     -0.00001     -0.00000 
    -0.00000      0.00000     -0.00000      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001     -0.00000     -0.00000      0.00002     -0.00003 
     0.00002      0.00000      0.00002      0.00002     -0.00005      0.05061 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4299906796
 Log product of positive Hessian eigenvalues =          520.5264436508
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5855749778
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000013
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000026
 Unscaled step for mode   13=       -0.0000000031
 Unscaled step for mode   14=        0.0000000064
 Unscaled step for mode   15=       -0.0000000022
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000003
 Unscaled step for mode   18=       -0.0000000033
 Unscaled step for mode   19=       -0.0000000055
 Unscaled step for mode   20=       -0.0000000098
 Unscaled step for mode   21=       -0.0000000036
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000041
 Unscaled step for mode   24=       -0.0000000030
 Unscaled step for mode   25=        0.0000000076
 Unscaled step for mode   26=       -0.0000000104
 Unscaled step for mode   27=       -0.0000000079
 Unscaled step for mode   28=       -0.0000000069
 Unscaled step for mode   29=        0.0000000041
 Unscaled step for mode   30=        0.0000000056
 Unscaled step for mode   31=        0.0000000003
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000046
 Unscaled step for mode   34=       -0.0000000024
 Unscaled step for mode   35=       -0.0000000135
 Unscaled step for mode   36=       -0.0000000014
 Unscaled step for mode   37=        0.0000000056
 Unscaled step for mode   38=        0.0000000040
 Unscaled step for mode   39=        0.0000000101
 Unscaled step for mode   40=       -0.0000000008
 Unscaled step for mode   41=       -0.0000000023
 Unscaled step for mode   42=        0.0000000013
 Unscaled step for mode   43=       -0.0000000019
 Unscaled step for mode   44=       -0.0000000019
 Unscaled step for mode   45=        0.0000000044
 Unscaled step for mode   46=       -0.0000000036
 Unscaled step for mode   47=        0.0000000157
 Unscaled step for mode   48=        0.0000000042
 Unscaled step for mode   49=       -0.0000000073
 Unscaled step for mode   50=        0.0000000081
 Unscaled step for mode   51=        0.0000000072
 Unscaled step for mode   52=       -0.0000000015
 Unscaled step for mode   53=        0.0000000093
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000177
 Unscaled step for mode   56=        0.0000000072
 Unscaled step for mode   57=        0.0000000036
 Unscaled step for mode   58=        0.0000000163
 Unscaled step for mode   59=       -0.0000000081
 Unscaled step for mode   60=       -0.0000000139
 Unscaled step for mode   61=        0.0000000124
 Unscaled step for mode   62=        0.0000000435
 Unscaled step for mode   63=       -0.0000000277
 Unscaled step for mode   64=       -0.0000000036
 Unscaled step for mode   65=       -0.0000000071
 Unscaled step for mode   66=        0.0000000292
 Unscaled step for mode   67=       -0.0000000033
 Unscaled step for mode   68=        0.0000000073
 Unscaled step for mode   69=        0.0000000064
 Unscaled step for mode   70=       -0.0000000053
 Unscaled step for mode   71=        0.0000000015
 Unscaled step for mode   72=       -0.0000000374
 Unscaled step for mode   73=       -0.0000000050
 Unscaled step for mode   74=        0.0000000511
 Unscaled step for mode   75=        0.0000000216
 Unscaled step for mode   76=        0.0000000391
 Unscaled step for mode   77=       -0.0000000005
 Unscaled step for mode   78=       -0.0000000716
 Unscaled step for mode   79=        0.0000001019
 Unscaled step for mode   80=       -0.0000000151
 Unscaled step for mode   81=        0.0000000231
 Unscaled step for mode   82=        0.0000000354
 Unscaled step for mode   83=        0.0000000674
 Unscaled step for mode   84=        0.0000000298
 Unscaled step for mode   85=        0.0000000822
 Unscaled step for mode   86=        0.0000000961
 Unscaled step for mode   87=        0.0000000504
 Unscaled step for mode   88=        0.0000000062
 Unscaled step for mode   89=        0.0000000964
 Unscaled step for mode   90=        0.0000000409
 Unscaled step for mode   91=        0.0000000172
 Unscaled step for mode   92=        0.0000000817
 Unscaled step for mode   93=       -0.0000001756
 Unscaled step for mode   94=       -0.0000000538
 Unscaled step for mode   95=        0.0000001951
 Unscaled step for mode   96=        0.0000000579
 Unscaled step for mode   97=        0.0000001000
 Unscaled step for mode   98=       -0.0000000960
 Unscaled step for mode   99=        0.0000000887
 Unscaled step for mode  100=       -0.0000002605
 Unscaled step for mode  101=        0.0000006061
 Unscaled step for mode  102=        0.0000003513
 Unscaled step for mode  103=       -0.0000002497
 Unscaled step for mode  104=        0.0000003991
 Unscaled step for mode  105=        0.0000000455
 Unscaled step for mode  106=        0.0000001182
 Unscaled step for mode  107=       -0.0000009566
 Unscaled step for mode  108=        0.0000020989
 Unscaled step for mode  109=       -0.0000014081
 Unscaled step for mode  110=       -0.0000001928
 Unscaled step for mode  111=       -0.0000016625
 Unscaled step for mode  112=       -0.0000016873
 Unscaled step for mode  113=        0.0000062984
 Unscaled step for mode  114=        0.0110351432
 Largest modulus ratio of non-zero e/values=           155.6870504    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.407226E-15    0.101872E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.179978E-16    0.100788E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.632374E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.292192E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.727299E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.385705E-15    0.973405E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.301386E-06    0.713915E+03 -0.422160E-09 0.318799E-03    0.921136E+00
   8   -0.189671E-06    0.668685E+03  0.283647E-09 0.318799E-03    0.835095E+00
   9    0.186376E-06    0.620748E+03 -0.300245E-09 0.318799E-03    0.905230E+00
  10    0.757778E-06    0.601161E+03 -0.126053E-08 0.318799E-03    0.992681E+00
  11   -0.682658E-06    0.589138E+03  0.115874E-08 0.318799E-03    0.986541E+00
  12    0.146352E-05    0.561806E+03 -0.260502E-08 0.318799E-03    0.991296E+00
  13    0.173665E-05    0.558039E+03 -0.311207E-08 0.318799E-03    0.989750E+00
  14   -0.304717E-05    0.476840E+03  0.639033E-08 0.360360E-03    0.990767E+00
  15    0.105682E-05    0.472364E+03 -0.223730E-08 0.318799E-03    0.976148E+00
  16    0.257569E-06    0.464595E+03 -0.554395E-09 0.318799E-03    0.870870E+00
  17    0.154128E-06    0.441922E+03 -0.348766E-09 0.360360E-03    0.718597E+00
  18    0.141264E-05    0.432804E+03 -0.326392E-08 0.318799E-03    0.997619E+00
  19    0.232245E-05    0.419664E+03 -0.553407E-08 0.318799E-03    0.990581E+00
  20    0.397753E-05    0.404709E+03 -0.982812E-08 0.318799E-03    0.995963E+00
  21    0.143637E-05    0.398694E+03 -0.360268E-08 0.318799E-03    0.969720E+00
  22   -0.901430E-06    0.387815E+03  0.232438E-08 0.318799E-03    0.986310E+00
  23   -0.148681E-05    0.366988E+03  0.405139E-08 0.318799E-03    0.991781E+00
  24    0.109177E-05    0.364975E+03 -0.299136E-08 0.318799E-03    0.982658E+00
  25   -0.270373E-05    0.353757E+03  0.764290E-08 0.318799E-03    0.984141E+00
  26    0.359968E-05    0.347397E+03 -0.103619E-07 0.318799E-03    0.977321E+00
  27    0.258691E-05    0.325918E+03 -0.793731E-08 0.318799E-03    0.972045E+00
  28    0.223277E-05    0.323665E+03 -0.689841E-08 0.318799E-03    0.975082E+00
  29   -0.130437E-05    0.319137E+03  0.408718E-08 0.318799E-03    0.959190E+00
  30   -0.177546E-05    0.314722E+03  0.564136E-08 0.318799E-03    0.989271E+00
  31   -0.939899E-07    0.305421E+03  0.307739E-09 0.360360E-03    0.492098E+00
  32    0.433872E-06    0.287270E+03 -0.151033E-08 0.318799E-03    0.963622E+00
  33    0.128377E-05    0.280190E+03 -0.458178E-08 0.318799E-03    0.983002E+00
  34    0.645020E-06    0.272280E+03 -0.236895E-08 0.360360E-03    0.960152E+00
  35    0.360207E-05    0.266008E+03 -0.135412E-07 0.318799E-03    0.978629E+00
  36    0.369691E-06    0.261615E+03 -0.141311E-08 0.318799E-03    0.990436E+00
  37   -0.145031E-05    0.257789E+03  0.562596E-08 0.318799E-03    0.985162E+00
  38   -0.101869E-05    0.253419E+03  0.401977E-08 0.318799E-03    0.985156E+00
  39   -0.249098E-05    0.245552E+03  0.101444E-07 0.318799E-03    0.968443E+00
  40    0.185229E-06    0.240439E+03 -0.770379E-09 0.318799E-03    0.837585E+00
  41    0.546777E-06    0.233444E+03 -0.234222E-08 0.318799E-03    0.956048E+00
  42   -0.303912E-06    0.228243E+03  0.133153E-08 0.318799E-03    0.917650E+00
  43    0.433712E-06    0.226419E+03 -0.191553E-08 0.318799E-03    0.889390E+00
  44    0.399939E-06    0.213565E+03 -0.187268E-08 0.318799E-03    0.933969E+00
  45   -0.928504E-06    0.211471E+03  0.439070E-08 0.318799E-03    0.935504E+00
  46    0.759759E-06    0.209856E+03 -0.362038E-08 0.318799E-03    0.993422E+00
  47   -0.317608E-05    0.202780E+03  0.156627E-07 0.318799E-03    0.974379E+00
  48   -0.837386E-06    0.199068E+03  0.420652E-08 0.318799E-03    0.995084E+00
  49    0.143049E-05    0.195085E+03 -0.733262E-08 0.360360E-03    0.989326E+00
  50   -0.155257E-05    0.191830E+03  0.809346E-08 0.318799E-03    0.990509E+00
  51   -0.135090E-05    0.186516E+03  0.724278E-08 0.318799E-03    0.964708E+00
  52    0.271545E-06    0.179574E+03 -0.151216E-08 0.318799E-03    0.918019E+00
  53   -0.157974E-05    0.170772E+03  0.925059E-08 0.318799E-03    0.975660E+00
  54    0.196832E-06    0.168070E+03 -0.117113E-08 0.318799E-03    0.975726E+00
  55    0.293936E-05    0.165878E+03 -0.177199E-07 0.318799E-03    0.983546E+00
  56   -0.115774E-05    0.160784E+03  0.720057E-08 0.318799E-03    0.998729E+00
  57   -0.557921E-06    0.154387E+03  0.361378E-08 0.318799E-03    0.962457E+00
  58   -0.245592E-05    0.151107E+03  0.162528E-07 0.318799E-03    0.993386E+00
  59    0.119855E-05    0.147945E+03 -0.810127E-08 0.360360E-03    0.960645E+00
  60    0.197859E-05    0.142081E+03 -0.139258E-07 0.318799E-03    0.967064E+00
  61   -0.169952E-05    0.136830E+03  0.124206E-07 0.318799E-03    0.997381E+00
  62   -0.584469E-05    0.134355E+03  0.435017E-07 0.318799E-03    0.985703E+00
  63    0.362532E-05    0.131041E+03 -0.276656E-07 0.318799E-03    0.991803E+00
  64    0.460975E-06    0.127741E+03 -0.360866E-08 0.318799E-03    0.950287E+00
  65    0.891211E-06    0.125408E+03 -0.710648E-08 0.318799E-03    0.979298E+00
  66   -0.361313E-05    0.123786E+03  0.291885E-07 0.318799E-03    0.977356E+00
  67    0.391758E-06    0.119478E+03 -0.327891E-08 0.318799E-03    0.955015E+00
  68   -0.867649E-06    0.118115E+03  0.734582E-08 0.318799E-03    0.963903E+00
  69   -0.743898E-06    0.116008E+03  0.641245E-08 0.318799E-03    0.977642E+00
  70    0.602695E-06    0.113180E+03 -0.532511E-08 0.318799E-03    0.918618E+00
  71   -0.161772E-06    0.110702E+03  0.146132E-08 0.318799E-03    0.953217E+00
  72    0.396622E-05    0.105941E+03 -0.374379E-07 0.360360E-03    0.984335E+00
  73    0.519428E-06    0.102910E+03 -0.504741E-08 0.318799E-03    0.930063E+00
  74   -0.515917E-05    0.100890E+03  0.511364E-07 0.318799E-03    0.979497E+00
  75   -0.209386E-05    0.971463E+02  0.215537E-07 0.318799E-03    0.963109E+00
  76   -0.371647E-05    0.949700E+02  0.391331E-07 0.318799E-03    0.980569E+00
  77    0.436872E-07    0.919505E+02 -0.475117E-09 0.360360E-03    0.577263E+00
  78    0.645316E-05    0.901618E+02 -0.715731E-07 0.318799E-03    0.968770E+00
  79   -0.888122E-05    0.871811E+02  0.101871E-06 0.318799E-03    0.981098E+00
  80    0.127324E-05    0.844234E+02 -0.150816E-07 0.318799E-03    0.960762E+00
  81   -0.187386E-05    0.810013E+02  0.231337E-07 0.318799E-03    0.966360E+00
  82   -0.279387E-05    0.789743E+02  0.353769E-07 0.318799E-03    0.991072E+00
  83   -0.530241E-05    0.786532E+02  0.674151E-07 0.360360E-03    0.982430E+00
  84   -0.218601E-05    0.732729E+02  0.298338E-07 0.318799E-03    0.992323E+00
  85   -0.583676E-05    0.710384E+02  0.821635E-07 0.360360E-03    0.982633E+00
  86   -0.674208E-05    0.701767E+02  0.960728E-07 0.318799E-03    0.967744E+00
  87   -0.339064E-05    0.673152E+02  0.503696E-07 0.318799E-03    0.998028E+00
  88   -0.394842E-06    0.640246E+02  0.616703E-08 0.318799E-03    0.808928E+00
  89   -0.602374E-05    0.624902E+02  0.963950E-07 0.318799E-03    0.981960E+00
  90   -0.243839E-05    0.596376E+02  0.408868E-07 0.318799E-03    0.998291E+00
  91   -0.100268E-05    0.582959E+02  0.171998E-07 0.318799E-03    0.986640E+00
  92   -0.456842E-05    0.558897E+02  0.817399E-07 0.318799E-03    0.963085E+00
  93    0.942513E-05    0.536810E+02 -0.175577E-06 0.318799E-03    0.975875E+00
  94    0.282635E-05    0.524900E+02 -0.538454E-07 0.318799E-03    0.989401E+00
  95   -0.980005E-05    0.502320E+02  0.195096E-06 0.360360E-03    0.981383E+00
  96   -0.278503E-05    0.480879E+02  0.579154E-07 0.318799E-03    0.971435E+00
  97   -0.440670E-05    0.440527E+02  0.100032E-06 0.318799E-03    0.978454E+00
  98    0.379244E-05    0.395084E+02 -0.959908E-07 0.318799E-03    0.982334E+00
  99   -0.338873E-05    0.382094E+02  0.886885E-07 0.318799E-03    0.975622E+00
 100    0.935563E-05    0.359198E+02 -0.260459E-06 0.318799E-03    0.986365E+00
 101   -0.207893E-04    0.343002E+02  0.606099E-06 0.318799E-03    0.970642E+00
 102   -0.107052E-04    0.304700E+02  0.351337E-06 0.318799E-03    0.989921E+00
 103    0.726499E-05    0.291005E+02 -0.249652E-06 0.360360E-03    0.972306E+00
 104   -0.114408E-04    0.286685E+02  0.399071E-06 0.318799E-03    0.982356E+00
 105   -0.109086E-05    0.239714E+02  0.455069E-07 0.318799E-03    0.801497E+00
 106   -0.258115E-05    0.218415E+02  0.118177E-06 0.318799E-03    0.948698E+00
 107    0.190129E-04    0.198759E+02 -0.956583E-06 0.360360E-03    0.981999E+00
 108   -0.339710E-04    0.161851E+02  0.209891E-05 0.318799E-03    0.982369E+00
 109    0.198614E-04    0.141048E+02 -0.140813E-05 0.318799E-03    0.975259E+00
 110    0.252102E-05    0.130759E+02 -0.192799E-06 0.318799E-03    0.989307E+00
 111    0.201058E-04    0.120939E+02 -0.166247E-05 0.318799E-03    0.961612E+00
 112    0.155739E-04    0.923010E+01 -0.168729E-05 0.318799E-03    0.981337E+00
 113   -0.468998E-04    0.744628E+01  0.629842E-05 0.318799E-03    0.985807E+00
 114    0.506086E-01    0.458557E+01  0.400000E-03 0.400000E-03    0.512881E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1103514317E-01

 Beginning of optimization cycle    6.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4028003007
 potential> RMS force:                                               0.0049118003   |gradient|=.5244367654E-01
 Eigenvalues of the Hessian matrix:
   713.97276    668.70772    620.78126    601.19079    589.14913    561.83186 
   558.07483    476.85099    472.34315    464.58079    441.91622    432.79144 
   419.67070    404.71792    398.69109    387.82223    366.98562    364.96444 
   353.74435    347.35699    325.88303    323.66886    319.13513    314.74443 
   305.42145    287.26910    280.18889    272.27135    266.00408    261.61799 
   257.78478    253.41674    245.53555    240.42853    233.44969    228.24559 
   226.40133    213.55298    211.46321    209.86136    202.78023    199.06307 
   195.08695    191.82729    186.51942    179.55960    170.76907    168.07246 
   165.87697    160.78364    154.37894    151.10608    147.95153    142.08680 
   136.83134    134.35802    131.04081    127.74092    125.41121    123.79536 
   119.47658    118.11204    116.01232    113.17626    110.69950    105.93736 
   102.90807    100.88670     97.14834     94.97066     91.94327     90.16551 
    87.19001     84.42306     80.99881     78.97416     78.65541     73.27078 
    71.04172     70.16885     67.31920     64.01777     62.48976     59.63841 
    58.29856     55.88872     53.68190     52.48766     50.23315     48.08698 
    44.04898     39.51199     38.20256     35.92379     34.30252     30.45987 
    29.09920     28.66895     23.96551     21.84158     19.86987     16.19148 
    14.10156     13.07107     12.09056      9.23205      7.44868      4.58977 
overlap for current and previous eigenvector    109 is         0.9999910638
overlap for current and previous eigenvector    110 is         0.9999933941
overlap for current and previous eigenvector    111 is        -0.9999952649
overlap for current and previous eigenvector    112 is         0.9999996226
overlap for current and previous eigenvector    113 is         0.9999991948
overlap for current and previous eigenvector    114 is        -0.9999988995
J1,K1,R1,R2,RAT=   7   7   -0.5102373191E-02     2.004939562        0.9948976268    
FOB,PFOB,DIAG,PSTEP=    0.3029237963E-06    0.3013858879E-06     713.9727640       -0.4221595550E-09
J1,K1,R1,R2,RAT=   8   8    0.2815737757E-01     1.971774869        0.9717748686    
FOB,PFOB,DIAG,PSTEP=   -0.1843300046E-06   -0.1896708184E-06     668.7077151        0.2836474588E-09
J1,K1,R1,R2,RAT=   9   9   -0.2801961401E-01     2.027911809        0.9719803860    
FOB,PFOB,DIAG,PSTEP=    0.1915987612E-06    0.1863762880E-06     620.7812638       -0.3002447811E-09
J1,K1,R1,R2,RAT=  10  10   -0.1077155482E-01     2.010670857        0.9892284452    
FOB,PFOB,DIAG,PSTEP=    0.7659408498E-06    0.7577779917E-06     601.1907901       -0.1260525210E-08
J1,K1,R1,R2,RAT=  11  11   -0.6924776369E-02     2.006886569        0.9930752236    
FOB,PFOB,DIAG,PSTEP=   -0.6873851687E-06   -0.6826578256E-06     589.1491298        0.1158740347E-08
J1,K1,R1,R2,RAT= 109 109   -0.3141520470E-01     2.031876160        0.9685847953    
FOB,PFOB,DIAG,PSTEP=    0.2048520450E-04    0.1986139838E-04     14.10156212       -0.1408129231E-05
J1,K1,R1,R2,RAT= 110 110   -0.4751167265E-01     2.048249255        0.9524883274    
FOB,PFOB,DIAG,PSTEP=    0.2640757813E-05    0.2521023907E-05     13.07106540       -0.1927994727E-06
J1,K1,R1,R2,RAT= 111 111     2.039533501       -0.3898012765E-01    0.9610198724    
FOB,PFOB,DIAG,PSTEP=   -0.2088928713E-04    0.2010577811E-04     12.09056195       -0.1662471665E-05
J1,K1,R1,R2,RAT= 112 112   -0.2895156210E-01     2.028528231        0.9710484379    
FOB,PFOB,DIAG,PSTEP=    0.1602486088E-04    0.1557387734E-04     9.232053880       -0.1687292416E-05
J1,K1,R1,R2,RAT= 113 113   -0.3336056098E-01     2.032717025        0.9666394390    
FOB,PFOB,DIAG,PSTEP=   -0.4846488663E-04   -0.4689978006E-04     7.448679017        0.6298415551E-05
J1,K1,R1,R2,RAT= 114 114    -56.13150723        0.9994904685        0.5095314945E-03
FOB,PFOB,DIAG,PSTEP=   -0.5244361121E-01    0.5060863924E-01     4.589768543        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00001     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00001     -0.00000     -0.00000     -0.00000      0.00001 
     0.00001      0.00000     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001      0.00001     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00001      0.00000     -0.00001      0.00000 
     0.00000     -0.00000     -0.00000      0.00001     -0.00002      0.00001 
    -0.00001      0.00001      0.00000      0.00000     -0.00002     -0.00003 
     0.00002      0.00000     -0.00002      0.00002     -0.00005     -0.05244 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4300885858
 Log product of positive Hessian eigenvalues =          520.5261446062
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5897685426
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000013
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000026
 Unscaled step for mode   13=       -0.0000000031
 Unscaled step for mode   14=        0.0000000065
 Unscaled step for mode   15=       -0.0000000023
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000004
 Unscaled step for mode   18=       -0.0000000033
 Unscaled step for mode   19=       -0.0000000056
 Unscaled step for mode   20=       -0.0000000100
 Unscaled step for mode   21=       -0.0000000037
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000041
 Unscaled step for mode   24=       -0.0000000030
 Unscaled step for mode   25=        0.0000000078
 Unscaled step for mode   26=       -0.0000000106
 Unscaled step for mode   27=       -0.0000000081
 Unscaled step for mode   28=       -0.0000000070
 Unscaled step for mode   29=        0.0000000042
 Unscaled step for mode   30=        0.0000000057
 Unscaled step for mode   31=        0.0000000003
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000047
 Unscaled step for mode   34=       -0.0000000024
 Unscaled step for mode   35=       -0.0000000138
 Unscaled step for mode   36=       -0.0000000014
 Unscaled step for mode   37=        0.0000000057
 Unscaled step for mode   38=        0.0000000041
 Unscaled step for mode   39=        0.0000000104
 Unscaled step for mode   40=       -0.0000000008
 Unscaled step for mode   41=       -0.0000000024
 Unscaled step for mode   42=        0.0000000014
 Unscaled step for mode   43=       -0.0000000020
 Unscaled step for mode   44=       -0.0000000019
 Unscaled step for mode   45=        0.0000000045
 Unscaled step for mode   46=       -0.0000000037
 Unscaled step for mode   47=        0.0000000160
 Unscaled step for mode   48=        0.0000000043
 Unscaled step for mode   49=       -0.0000000075
 Unscaled step for mode   50=        0.0000000083
 Unscaled step for mode   51=        0.0000000074
 Unscaled step for mode   52=       -0.0000000015
 Unscaled step for mode   53=        0.0000000095
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000181
 Unscaled step for mode   56=        0.0000000074
 Unscaled step for mode   57=       -0.0000000037
 Unscaled step for mode   58=        0.0000000166
 Unscaled step for mode   59=       -0.0000000083
 Unscaled step for mode   60=       -0.0000000143
 Unscaled step for mode   61=       -0.0000000127
 Unscaled step for mode   62=        0.0000000445
 Unscaled step for mode   63=        0.0000000283
 Unscaled step for mode   64=        0.0000000037
 Unscaled step for mode   65=       -0.0000000073
 Unscaled step for mode   66=        0.0000000299
 Unscaled step for mode   67=       -0.0000000033
 Unscaled step for mode   68=       -0.0000000075
 Unscaled step for mode   69=       -0.0000000065
 Unscaled step for mode   70=       -0.0000000056
 Unscaled step for mode   71=       -0.0000000015
 Unscaled step for mode   72=        0.0000000384
 Unscaled step for mode   73=       -0.0000000053
 Unscaled step for mode   74=        0.0000000525
 Unscaled step for mode   75=        0.0000000222
 Unscaled step for mode   76=        0.0000000402
 Unscaled step for mode   77=        0.0000000005
 Unscaled step for mode   78=       -0.0000000737
 Unscaled step for mode   79=       -0.0000001046
 Unscaled step for mode   80=       -0.0000000156
 Unscaled step for mode   81=        0.0000000239
 Unscaled step for mode   82=       -0.0000000365
 Unscaled step for mode   83=        0.0000000690
 Unscaled step for mode   84=       -0.0000000308
 Unscaled step for mode   85=        0.0000000843
 Unscaled step for mode   86=       -0.0000000990
 Unscaled step for mode   87=        0.0000000516
 Unscaled step for mode   88=        0.0000000064
 Unscaled step for mode   89=        0.0000000992
 Unscaled step for mode   90=        0.0000000422
 Unscaled step for mode   91=        0.0000000175
 Unscaled step for mode   92=        0.0000000845
 Unscaled step for mode   93=       -0.0000001807
 Unscaled step for mode   94=       -0.0000000556
 Unscaled step for mode   95=        0.0000002006
 Unscaled step for mode   96=       -0.0000000595
 Unscaled step for mode   97=       -0.0000001032
 Unscaled step for mode   98=        0.0000000988
 Unscaled step for mode   99=        0.0000000921
 Unscaled step for mode  100=       -0.0000002680
 Unscaled step for mode  101=        0.0000006266
 Unscaled step for mode  102=       -0.0000003618
 Unscaled step for mode  103=        0.0000002577
 Unscaled step for mode  104=       -0.0000004114
 Unscaled step for mode  105=       -0.0000000489
 Unscaled step for mode  106=       -0.0000001213
 Unscaled step for mode  107=        0.0000009909
 Unscaled step for mode  108=        0.0000021616
 Unscaled step for mode  109=       -0.0000014527
 Unscaled step for mode  110=       -0.0000002020
 Unscaled step for mode  111=        0.0000017277
 Unscaled step for mode  112=       -0.0000017358
 Unscaled step for mode  113=        0.0000065065
 Unscaled step for mode  114=       -0.0114247081
 Largest modulus ratio of non-zero e/values=           155.5574660    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.274249E-15    0.101872E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.433518E-15    0.100787E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.478915E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.934257E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.756800E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.663444E-15    0.973406E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.302924E-06    0.713973E+03 -0.424279E-09 0.287207E-03    0.994898E+00
   8   -0.184330E-06    0.668708E+03  0.275651E-09 0.287207E-03    0.971775E+00
   9    0.191599E-06    0.620781E+03 -0.308641E-09 0.287207E-03    0.971980E+00
  10    0.765941E-06    0.601191E+03 -0.127404E-08 0.287207E-03    0.989228E+00
  11   -0.687385E-06    0.589149E+03  0.116674E-08 0.287207E-03    0.993075E+00
  12    0.147869E-05    0.561832E+03 -0.263191E-08 0.287207E-03    0.989632E+00
  13    0.174858E-05    0.558075E+03 -0.313324E-08 0.287207E-03    0.993134E+00
  14   -0.308177E-05    0.476851E+03  0.646276E-08 0.324649E-03    0.988643E+00
  15    0.106573E-05    0.472343E+03 -0.225625E-08 0.287207E-03    0.991572E+00
  16    0.263275E-06    0.464581E+03 -0.566694E-09 0.287207E-03    0.977845E+00
  17    0.160076E-06    0.441916E+03 -0.362232E-09 0.324649E-03    0.961405E+00
  18    0.143161E-05    0.432791E+03 -0.330785E-08 0.287207E-03    0.986572E+00
  19    0.235938E-05    0.419671E+03 -0.562197E-08 0.287207E-03    0.984103E+00
  20    0.402749E-05    0.404718E+03 -0.995136E-08 0.287207E-03    0.987438E+00
  21    0.146385E-05    0.398691E+03 -0.367163E-08 0.287207E-03    0.980867E+00
  22   -0.906553E-06    0.387822E+03  0.233755E-08 0.287207E-03    0.994318E+00
  23   -0.150077E-05    0.366986E+03  0.408944E-08 0.287207E-03    0.990615E+00
  24    0.110592E-05    0.364964E+03 -0.303021E-08 0.287207E-03    0.987042E+00
  25   -0.274956E-05    0.353744E+03  0.777274E-08 0.287207E-03    0.983048E+00
  26    0.366512E-05    0.347357E+03 -0.105514E-07 0.287207E-03    0.981819E+00
  27    0.263332E-05    0.325883E+03 -0.808057E-08 0.287207E-03    0.982059E+00
  28    0.226846E-05    0.323669E+03 -0.700860E-08 0.287207E-03    0.984015E+00
  29   -0.133899E-05    0.319135E+03  0.419568E-08 0.287207E-03    0.973459E+00
  30   -0.180098E-05    0.314744E+03  0.572202E-08 0.287207E-03    0.985630E+00
  31   -0.101467E-06    0.305421E+03  0.332221E-09 0.324649E-03    0.920444E+00
  32    0.436407E-06    0.287269E+03 -0.151916E-08 0.287207E-03    0.994157E+00
  33    0.130842E-05    0.280189E+03 -0.466977E-08 0.287207E-03    0.980801E+00
  34    0.654485E-06    0.272271E+03 -0.240380E-08 0.324649E-03    0.985325E+00
  35    0.367536E-05    0.266004E+03 -0.138169E-07 0.287207E-03    0.979651E+00
  36    0.376923E-06    0.261618E+03 -0.144074E-08 0.287207E-03    0.980437E+00
  37   -0.148029E-05    0.257785E+03  0.574236E-08 0.287207E-03    0.979328E+00
  38   -0.103754E-05    0.253417E+03  0.409421E-08 0.287207E-03    0.981489E+00
  39   -0.254348E-05    0.245536E+03  0.103589E-07 0.287207E-03    0.978922E+00
  40    0.198953E-06    0.240429E+03 -0.827495E-09 0.287207E-03    0.925904E+00
  41    0.567910E-06    0.233450E+03 -0.243269E-08 0.287207E-03    0.961351E+00
  42   -0.314811E-06    0.228246E+03  0.137926E-08 0.287207E-03    0.964140E+00
  43    0.442991E-06    0.226401E+03 -0.195666E-08 0.287207E-03    0.978603E+00
  44    0.399858E-06    0.213553E+03 -0.187240E-08 0.287207E-03    0.999796E+00
  45   -0.957800E-06    0.211463E+03  0.452939E-08 0.287207E-03    0.968446E+00
  46    0.774551E-06    0.209861E+03 -0.369077E-08 0.287207E-03    0.980531E+00
  47   -0.325151E-05    0.202780E+03  0.160347E-07 0.287207E-03    0.976251E+00
  48   -0.850930E-06    0.199063E+03  0.427468E-08 0.287207E-03    0.983825E+00
  49    0.146786E-05    0.195087E+03 -0.752412E-08 0.324649E-03    0.973876E+00
  50   -0.158672E-05    0.191827E+03  0.827158E-08 0.287207E-03    0.978008E+00
  51   -0.138246E-05    0.186519E+03  0.741189E-08 0.287207E-03    0.976635E+00
  52    0.276239E-06    0.179560E+03 -0.153842E-08 0.287207E-03    0.982713E+00
  53   -0.161667E-05    0.170769E+03  0.946699E-08 0.287207E-03    0.976623E+00
  54    0.205772E-06    0.168072E+03 -0.122431E-08 0.287207E-03    0.954579E+00
  55    0.300756E-05    0.165877E+03 -0.181312E-07 0.287207E-03    0.976797E+00
  56   -0.118305E-05    0.160784E+03  0.735805E-08 0.287207E-03    0.978135E+00
  57    0.569485E-06    0.154379E+03 -0.368887E-08 0.287207E-03    0.979273E+00
  58   -0.251047E-05    0.151106E+03  0.166139E-07 0.287207E-03    0.977788E+00
  59    0.123220E-05    0.147952E+03 -0.832837E-08 0.324649E-03    0.971926E+00
  60    0.203331E-05    0.142087E+03 -0.143103E-07 0.287207E-03    0.972344E+00
  61    0.174043E-05    0.136831E+03 -0.127195E-07 0.287207E-03    0.975928E+00
  62   -0.598320E-05    0.134358E+03  0.445318E-07 0.287207E-03    0.976302E+00
  63   -0.371165E-05    0.131041E+03  0.283244E-07 0.287207E-03    0.976188E+00
  64   -0.473248E-06    0.127741E+03  0.370475E-08 0.287207E-03    0.973374E+00
  65    0.911453E-06    0.125411E+03 -0.726772E-08 0.287207E-03    0.977287E+00
  66   -0.370331E-05    0.123795E+03  0.299147E-07 0.287207E-03    0.975043E+00
  67    0.399222E-06    0.119477E+03 -0.334143E-08 0.287207E-03    0.980947E+00
  68    0.890415E-06    0.118112E+03 -0.753873E-08 0.287207E-03    0.973761E+00
  69    0.755142E-06    0.116012E+03 -0.650916E-08 0.287207E-03    0.984885E+00
  70    0.632783E-06    0.113176E+03 -0.559113E-08 0.287207E-03    0.950076E+00
  71    0.165447E-06    0.110699E+03 -0.149456E-08 0.287207E-03    0.977278E+00
  72   -0.407257E-05    0.105937E+03  0.384432E-07 0.324649E-03    0.973186E+00
  73    0.543696E-06    0.102908E+03 -0.528331E-08 0.287207E-03    0.953280E+00
  74   -0.529793E-05    0.100887E+03  0.525137E-07 0.287207E-03    0.973103E+00
  75   -0.216034E-05    0.971483E+02  0.222375E-07 0.287207E-03    0.968252E+00
  76   -0.382135E-05    0.949707E+02  0.402371E-07 0.287207E-03    0.971780E+00
  77   -0.428480E-07    0.919433E+02  0.466026E-09 0.324649E-03    0.980787E+00
  78    0.664240E-05    0.901655E+02 -0.736690E-07 0.287207E-03    0.970677E+00
  79    0.912315E-05    0.871900E+02 -0.104635E-06 0.287207E-03    0.972762E+00
  80    0.131398E-05    0.844231E+02 -0.155642E-07 0.287207E-03    0.968004E+00
  81   -0.193191E-05    0.809988E+02  0.238511E-07 0.287207E-03    0.969019E+00
  82    0.288087E-05    0.789742E+02 -0.364786E-07 0.287207E-03    0.968861E+00
  83   -0.543018E-05    0.786554E+02  0.690375E-07 0.324649E-03    0.975905E+00
  84    0.225327E-05    0.732708E+02 -0.307526E-07 0.287207E-03    0.969234E+00
  85   -0.599170E-05    0.710417E+02  0.843406E-07 0.324649E-03    0.973455E+00
  86    0.694627E-05    0.701688E+02 -0.989937E-07 0.287207E-03    0.969710E+00
  87   -0.347208E-05    0.673192E+02  0.515764E-07 0.287207E-03    0.975982E+00
  88   -0.412385E-06    0.640178E+02  0.644172E-08 0.287207E-03    0.955565E+00
  89   -0.619729E-05    0.624898E+02  0.991728E-07 0.287207E-03    0.971190E+00
  90   -0.251513E-05    0.596384E+02  0.421730E-07 0.287207E-03    0.968530E+00
  91   -0.102292E-05    0.582986E+02  0.175462E-07 0.287207E-03    0.979816E+00
  92   -0.472528E-05    0.558887E+02  0.845480E-07 0.287207E-03    0.965664E+00
  93    0.970241E-05    0.536819E+02 -0.180739E-06 0.287207E-03    0.970581E+00
  94    0.292067E-05    0.524877E+02 -0.556450E-07 0.287207E-03    0.966624E+00
  95   -0.100791E-04    0.502331E+02  0.200646E-06 0.324649E-03    0.971528E+00
  96    0.286209E-05    0.480870E+02 -0.595191E-07 0.287207E-03    0.972330E+00
  97    0.454748E-05    0.440490E+02 -0.103237E-06 0.287207E-03    0.968051E+00
  98   -0.390313E-05    0.395120E+02  0.987834E-07 0.287207E-03    0.970817E+00
  99   -0.351960E-05    0.382026E+02  0.921299E-07 0.287207E-03    0.961376E+00
 100    0.962636E-05    0.359238E+02 -0.267966E-06 0.287207E-03    0.971065E+00
 101   -0.214955E-04    0.343025E+02  0.626644E-06 0.287207E-03    0.966035E+00
 102    0.110190E-04    0.304599E+02 -0.361753E-06 0.287207E-03    0.970685E+00
 103   -0.749938E-05    0.290992E+02  0.257718E-06 0.324649E-03    0.967736E+00
 104    0.117936E-04    0.286690E+02 -0.411372E-06 0.287207E-03    0.969161E+00
 105    0.117270E-05    0.239655E+02 -0.489329E-07 0.287207E-03    0.924962E+00
 106    0.265002E-05    0.218416E+02 -0.121329E-06 0.287207E-03    0.973320E+00
 107   -0.196900E-04    0.198699E+02  0.990948E-06 0.324649E-03    0.964379E+00
 108   -0.349992E-04    0.161915E+02  0.216158E-05 0.287207E-03    0.969745E+00
 109    0.204852E-04    0.141016E+02 -0.145269E-05 0.287207E-03    0.968585E+00
 110    0.264076E-05    0.130711E+02 -0.202031E-06 0.287207E-03    0.952488E+00
 111   -0.208893E-04    0.120906E+02  0.172774E-05 0.287207E-03    0.961020E+00
 112    0.160249E-04    0.923205E+01 -0.173579E-05 0.287207E-03    0.971048E+00
 113   -0.484649E-04    0.744868E+01  0.650651E-05 0.287207E-03    0.966639E+00
 114   -0.524436E-01    0.458977E+01 -0.400000E-03 0.400000E-03    0.509531E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1142470815E-01

 Beginning of optimization cycle    7.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4027789562
 potential> RMS force:                                               0.0050838174   |gradient|=.5428031661E-01
 Eigenvalues of the Hessian matrix:
   714.03090    668.73032    620.81459    601.22091    589.16024    561.85788 
   558.11092    476.86212    472.32233    464.56691    441.91060    432.77894 
   419.67710    404.72720    398.68794    387.82947    366.98352    364.95354 
   353.73138    347.31695    325.84790    323.67289    319.13330    314.76684 
   305.42180    287.26869    280.18744    272.26243    265.99993    261.62073 
   257.78051    253.41453    245.51913    240.41828    233.45573    228.24775 
   226.38358    213.54063    211.45586    209.86685    202.78067    199.05765 
   195.08854    191.82435    186.52230    179.54523    170.76629    168.07444 
   165.87554    160.78278    154.37080    151.10513    147.95772    142.09270 
   136.83240    134.36076    131.04102    127.74053    125.41419    123.80473 
   119.47522    118.10939    116.01625    113.17255    110.69645    105.93343 
   102.90633    100.88303     97.15041     94.97128     91.93605     90.16921 
    87.19891     84.42278     80.99638     78.97401     78.65767     73.26864 
    71.04505     70.16096     67.32315     64.01095     62.48925     59.63917 
    58.30119     55.88771     53.68281     52.48531     50.23426     48.08609 
    44.04522     39.51557     38.19570     35.92772     34.30490     30.44972 
    29.09788     28.66939     23.95964     21.84171     19.86389     16.19786 
    14.09832     13.06622     12.08718      9.23401      7.45105      4.59392 
overlap for current and previous eigenvector    109 is        -0.9999910645
overlap for current and previous eigenvector    110 is        -0.9999933371
overlap for current and previous eigenvector    111 is         0.9999951592
overlap for current and previous eigenvector    112 is         0.9999996238
overlap for current and previous eigenvector    113 is         0.9999991987
overlap for current and previous eigenvector    114 is        -0.9999989043
J1,K1,R1,R2,RAT=   7   7   -0.6149569374E-02     2.005986743        0.9938504306    
FOB,PFOB,DIAG,PSTEP=    0.3047867989E-06    0.3029237963E-06     714.0308954       -0.4242792045E-09
J1,K1,R1,R2,RAT=   8   8    0.3455203971E-01     1.965380364        0.9653803637    
FOB,PFOB,DIAG,PSTEP=   -0.1779608117E-06   -0.1843300046E-06     668.7303170        0.2756510811E-09
J1,K1,R1,R2,RAT=   9   9   -0.3030275392E-01     2.030195400        0.9696972461    
FOB,PFOB,DIAG,PSTEP=    0.1974050429E-06    0.1915987612E-06     620.8145872       -0.3086413401E-09
J1,K1,R1,R2,RAT=  10  10   -0.1023556480E-01     2.010135381        0.9897644352    
FOB,PFOB,DIAG,PSTEP=    0.7737810798E-06    0.7659408498E-06     601.2209065       -0.1274039560E-08
J1,K1,R1,R2,RAT=  11  11   -0.6375793671E-02     2.006338079        0.9936242063    
FOB,PFOB,DIAG,PSTEP=   -0.6917678774E-06   -0.6873851687E-06     589.1602399        0.1166742229E-08
J1,K1,R1,R2,RAT= 109 109     2.030691441       -0.3023128689E-01    0.9697687131    
FOB,PFOB,DIAG,PSTEP=   -0.2110435614E-04    0.2048520450E-04     14.09831843       -0.1452690441E-05
J1,K1,R1,R2,RAT= 110 110     2.046487267       -0.4574542731E-01    0.9542545727    
FOB,PFOB,DIAG,PSTEP=   -0.2761515616E-05    0.2640757813E-05     13.06621889       -0.2020308009E-06
J1,K1,R1,R2,RAT= 111 111   -0.3790311295E-01     2.038462841        0.9620968870    
FOB,PFOB,DIAG,PSTEP=   -0.2168083461E-04   -0.2088928713E-04     12.08717918        0.1727735006E-05
J1,K1,R1,R2,RAT= 112 112   -0.2763367975E-01     2.027209958        0.9723663203    
FOB,PFOB,DIAG,PSTEP=    0.1646778059E-04    0.1602486088E-04     9.234010207       -0.1735785025E-05
J1,K1,R1,R2,RAT= 113 113   -0.3165271644E-01     2.031016133        0.9683472836    
FOB,PFOB,DIAG,PSTEP=   -0.4999942037E-04   -0.4846488663E-04     7.451050627        0.6506507599E-05
J1,K1,R1,R2,RAT= 114 114    -58.07884912        0.9994938445        0.5061555145E-03
FOB,PFOB,DIAG,PSTEP=    0.5428024956E-01   -0.5244361121E-01     4.593921126       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00001     -0.00000     -0.00000     -0.00000      0.00001 
    -0.00001     -0.00000     -0.00000      0.00000     -0.00001      0.00000 
     0.00001     -0.00001      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00000      0.00001      0.00000 
     0.00000     -0.00000     -0.00000      0.00001     -0.00002     -0.00001 
     0.00001      0.00001      0.00000      0.00000     -0.00002      0.00004 
    -0.00002     -0.00000     -0.00002      0.00002     -0.00005      0.05428 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4301864362
 Log product of positive Hessian eigenvalues =          520.5258289748
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5939211256
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000013
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000027
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000065
 Unscaled step for mode   15=       -0.0000000023
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000004
 Unscaled step for mode   18=       -0.0000000034
 Unscaled step for mode   19=       -0.0000000057
 Unscaled step for mode   20=       -0.0000000101
 Unscaled step for mode   21=       -0.0000000037
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000041
 Unscaled step for mode   24=       -0.0000000031
 Unscaled step for mode   25=        0.0000000079
 Unscaled step for mode   26=       -0.0000000107
 Unscaled step for mode   27=       -0.0000000082
 Unscaled step for mode   28=       -0.0000000071
 Unscaled step for mode   29=        0.0000000043
 Unscaled step for mode   30=        0.0000000058
 Unscaled step for mode   31=        0.0000000004
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000048
 Unscaled step for mode   34=       -0.0000000024
 Unscaled step for mode   35=       -0.0000000141
 Unscaled step for mode   36=       -0.0000000015
 Unscaled step for mode   37=        0.0000000059
 Unscaled step for mode   38=        0.0000000042
 Unscaled step for mode   39=        0.0000000106
 Unscaled step for mode   40=       -0.0000000009
 Unscaled step for mode   41=       -0.0000000025
 Unscaled step for mode   42=        0.0000000014
 Unscaled step for mode   43=       -0.0000000020
 Unscaled step for mode   44=       -0.0000000019
 Unscaled step for mode   45=        0.0000000047
 Unscaled step for mode   46=       -0.0000000038
 Unscaled step for mode   47=        0.0000000164
 Unscaled step for mode   48=        0.0000000043
 Unscaled step for mode   49=       -0.0000000077
 Unscaled step for mode   50=        0.0000000084
 Unscaled step for mode   51=        0.0000000076
 Unscaled step for mode   52=       -0.0000000016
 Unscaled step for mode   53=        0.0000000097
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=       -0.0000000185
 Unscaled step for mode   56=       -0.0000000075
 Unscaled step for mode   57=       -0.0000000038
 Unscaled step for mode   58=       -0.0000000170
 Unscaled step for mode   59=        0.0000000086
 Unscaled step for mode   60=       -0.0000000147
 Unscaled step for mode   61=        0.0000000130
 Unscaled step for mode   62=       -0.0000000456
 Unscaled step for mode   63=       -0.0000000290
 Unscaled step for mode   64=       -0.0000000038
 Unscaled step for mode   65=        0.0000000074
 Unscaled step for mode   66=       -0.0000000306
 Unscaled step for mode   67=       -0.0000000034
 Unscaled step for mode   68=       -0.0000000077
 Unscaled step for mode   69=        0.0000000066
 Unscaled step for mode   70=        0.0000000059
 Unscaled step for mode   71=       -0.0000000015
 Unscaled step for mode   72=       -0.0000000394
 Unscaled step for mode   73=       -0.0000000055
 Unscaled step for mode   74=        0.0000000539
 Unscaled step for mode   75=        0.0000000229
 Unscaled step for mode   76=        0.0000000413
 Unscaled step for mode   77=        0.0000000004
 Unscaled step for mode   78=       -0.0000000758
 Unscaled step for mode   79=        0.0000001074
 Unscaled step for mode   80=        0.0000000160
 Unscaled step for mode   81=        0.0000000246
 Unscaled step for mode   82=       -0.0000000376
 Unscaled step for mode   83=        0.0000000706
 Unscaled step for mode   84=       -0.0000000317
 Unscaled step for mode   85=       -0.0000000865
 Unscaled step for mode   86=        0.0000001019
 Unscaled step for mode   87=       -0.0000000527
 Unscaled step for mode   88=       -0.0000000067
 Unscaled step for mode   89=        0.0000001019
 Unscaled step for mode   90=       -0.0000000434
 Unscaled step for mode   91=       -0.0000000179
 Unscaled step for mode   92=        0.0000000874
 Unscaled step for mode   93=       -0.0000001859
 Unscaled step for mode   94=       -0.0000000574
 Unscaled step for mode   95=       -0.0000002061
 Unscaled step for mode   96=       -0.0000000611
 Unscaled step for mode   97=       -0.0000001064
 Unscaled step for mode   98=        0.0000001016
 Unscaled step for mode   99=        0.0000000956
 Unscaled step for mode  100=       -0.0000002753
 Unscaled step for mode  101=        0.0000006472
 Unscaled step for mode  102=        0.0000003720
 Unscaled step for mode  103=       -0.0000002657
 Unscaled step for mode  104=       -0.0000004235
 Unscaled step for mode  105=       -0.0000000526
 Unscaled step for mode  106=       -0.0000001242
 Unscaled step for mode  107=        0.0000010250
 Unscaled step for mode  108=       -0.0000022232
 Unscaled step for mode  109=        0.0000014969
 Unscaled step for mode  110=        0.0000002113
 Unscaled step for mode  111=        0.0000017937
 Unscaled step for mode  112=       -0.0000017834
 Unscaled step for mode  113=        0.0000067104
 Unscaled step for mode  114=        0.0118140195
 Largest modulus ratio of non-zero e/values=           155.4295069    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.231206E-15    0.101872E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.649546E-15    0.100787E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.101102E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.624609E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.400486E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.344756E-15    0.973406E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.304787E-06    0.714031E+03 -0.426854E-09 0.258745E-03    0.993850E+00
   8   -0.177961E-06    0.668730E+03  0.266117E-09 0.258745E-03    0.965380E+00
   9    0.197405E-06    0.620815E+03 -0.317977E-09 0.258745E-03    0.969697E+00
  10    0.773781E-06    0.601221E+03 -0.128702E-08 0.258745E-03    0.989764E+00
  11   -0.691768E-06    0.589160E+03  0.117416E-08 0.258745E-03    0.993624E+00
  12    0.149405E-05    0.561858E+03 -0.265912E-08 0.258745E-03    0.989613E+00
  13    0.175958E-05    0.558111E+03 -0.315274E-08 0.258745E-03    0.993711E+00
  14   -0.311599E-05    0.476862E+03  0.653436E-08 0.292477E-03    0.988898E+00
  15    0.107505E-05    0.472322E+03 -0.227610E-08 0.258745E-03    0.991248E+00
  16    0.268184E-06    0.464567E+03 -0.577278E-09 0.258745E-03    0.981353E+00
  17    0.164888E-06    0.441911E+03 -0.373124E-09 0.292477E-03    0.969942E+00
  18    0.145043E-05    0.432779E+03 -0.335144E-08 0.258745E-03    0.986851E+00
  19    0.239606E-05    0.419677E+03 -0.570929E-08 0.258745E-03    0.984452E+00
  20    0.407675E-05    0.404727E+03 -0.100728E-07 0.258745E-03    0.987770E+00
  21    0.149173E-05    0.398688E+03 -0.374160E-08 0.258745E-03    0.980953E+00
  22   -0.911231E-06    0.387829E+03  0.234957E-08 0.258745E-03    0.994840E+00
  23   -0.151420E-05    0.366984E+03  0.412608E-08 0.258745E-03    0.991047E+00
  24    0.111957E-05    0.364954E+03 -0.306769E-08 0.258745E-03    0.987661E+00
  25   -0.279549E-05    0.353731E+03  0.790287E-08 0.258745E-03    0.983295E+00
  26    0.373125E-05    0.347317E+03 -0.107431E-07 0.258745E-03    0.981954E+00
  27    0.268030E-05    0.325848E+03 -0.822561E-08 0.258745E-03    0.982158E+00
  28    0.230467E-05    0.323673E+03 -0.712038E-08 0.258745E-03    0.984038E+00
  29   -0.137489E-05    0.319133E+03  0.430819E-08 0.258745E-03    0.973190E+00
  30   -0.182647E-05    0.314767E+03  0.580261E-08 0.258745E-03    0.985845E+00
  31   -0.109983E-06    0.305422E+03  0.360103E-09 0.292477E-03    0.916072E+00
  32    0.438505E-06    0.287269E+03 -0.152646E-08 0.258745E-03    0.995192E+00
  33    0.133320E-05    0.280187E+03 -0.475824E-08 0.258745E-03    0.981058E+00
  34    0.663265E-06    0.272262E+03 -0.243613E-08 0.292477E-03    0.986583E+00
  35    0.374949E-05    0.266000E+03 -0.140958E-07 0.258745E-03    0.979831E+00
  36    0.384092E-06    0.261621E+03 -0.146813E-08 0.258745E-03    0.980982E+00
  37   -0.151061E-05    0.257781E+03  0.586006E-08 0.258745E-03    0.979519E+00
  38   -0.105679E-05    0.253415E+03  0.417022E-08 0.258745E-03    0.981446E+00
  39   -0.259640E-05    0.245519E+03  0.105751E-07 0.258745E-03    0.979196E+00
  40    0.213394E-06    0.240418E+03 -0.887596E-09 0.258745E-03    0.927412E+00
  41    0.589480E-06    0.233456E+03 -0.252502E-08 0.258745E-03    0.962020E+00
  42   -0.326078E-06    0.228248E+03  0.142861E-08 0.258745E-03    0.964211E+00
  43    0.452869E-06    0.226384E+03 -0.200045E-08 0.258745E-03    0.977701E+00
  44    0.398628E-06    0.213541E+03 -0.186676E-08 0.258745E-03    0.996925E+00
  45   -0.988434E-06    0.211456E+03  0.467442E-08 0.258745E-03    0.968015E+00
  46    0.789309E-06    0.209867E+03 -0.376100E-08 0.258745E-03    0.980946E+00
  47   -0.332818E-05    0.202781E+03  0.164127E-07 0.258745E-03    0.976422E+00
  48   -0.864436E-06    0.199058E+03  0.434264E-08 0.258745E-03    0.984127E+00
  49    0.150536E-05    0.195089E+03 -0.771630E-08 0.292477E-03    0.974450E+00
  50   -0.162065E-05    0.191824E+03  0.844863E-08 0.258745E-03    0.978610E+00
  51   -0.141461E-05    0.186522E+03  0.758414E-08 0.258745E-03    0.976745E+00
  52    0.281208E-06    0.179545E+03 -0.156622E-08 0.258745E-03    0.982011E+00
  53   -0.165411E-05    0.170766E+03  0.968642E-08 0.258745E-03    0.976838E+00
  54    0.214898E-06    0.168074E+03 -0.127859E-08 0.258745E-03    0.955651E+00
  55    0.307594E-05    0.165876E+03 -0.185436E-07 0.258745E-03    0.977264E+00
  56    0.120784E-05    0.160783E+03 -0.751222E-08 0.258745E-03    0.979053E+00
  57    0.581388E-06    0.154371E+03 -0.376618E-08 0.258745E-03    0.979097E+00
  58    0.256423E-05    0.151105E+03 -0.169698E-07 0.258745E-03    0.978584E+00
  59   -0.126692E-05    0.147958E+03  0.856274E-08 0.292477E-03    0.971817E+00
  60    0.208945E-05    0.142093E+03 -0.147048E-07 0.258745E-03    0.972392E+00
  61   -0.178083E-05    0.136832E+03  0.130147E-07 0.258745E-03    0.976787E+00
  62    0.612111E-05    0.134361E+03 -0.455573E-07 0.258745E-03    0.976950E+00
  63    0.379702E-05    0.131041E+03 -0.289758E-07 0.258745E-03    0.976998E+00
  64    0.485809E-06    0.127741E+03 -0.380309E-08 0.258745E-03    0.973457E+00
  65   -0.930760E-06    0.125414E+03  0.742149E-08 0.258745E-03    0.978819E+00
  66    0.379353E-05    0.123805E+03 -0.306412E-07 0.258745E-03    0.975640E+00
  67    0.406870E-06    0.119475E+03 -0.340547E-08 0.258745E-03    0.980844E+00
  68    0.913444E-06    0.118109E+03 -0.773388E-08 0.258745E-03    0.974136E+00
  69   -0.766148E-06    0.116016E+03  0.660380E-08 0.258745E-03    0.985427E+00
  70   -0.663942E-06    0.113173E+03  0.586663E-08 0.258745E-03    0.950757E+00
  71    0.169268E-06    0.110696E+03 -0.152912E-08 0.258745E-03    0.976909E+00
  72    0.417825E-05    0.105933E+03 -0.394423E-07 0.292477E-03    0.974048E+00
  73    0.568554E-06    0.102906E+03 -0.552496E-08 0.258745E-03    0.954278E+00
  74   -0.543637E-05    0.100883E+03  0.538879E-07 0.258745E-03    0.973868E+00
  75   -0.222808E-05    0.971504E+02  0.229343E-07 0.258745E-03    0.968644E+00
  76   -0.392615E-05    0.949713E+02  0.413403E-07 0.258745E-03    0.972576E+00
  77   -0.407861E-07    0.919361E+02  0.443636E-09 0.292477E-03    0.951877E+00
  78    0.683359E-05    0.901692E+02 -0.757863E-07 0.258745E-03    0.971218E+00
  79   -0.936427E-05    0.871989E+02  0.107390E-06 0.258745E-03    0.973574E+00
  80   -0.135498E-05    0.844228E+02  0.160500E-07 0.258745E-03    0.968791E+00
  81   -0.199025E-05    0.809964E+02  0.245720E-07 0.258745E-03    0.969801E+00
  82    0.296761E-05    0.789740E+02 -0.375771E-07 0.258745E-03    0.969888E+00
  83   -0.555650E-05    0.786577E+02  0.706416E-07 0.292477E-03    0.976736E+00
  84    0.232007E-05    0.732686E+02 -0.316653E-07 0.258745E-03    0.970349E+00
  85    0.614533E-05    0.710450E+02 -0.864990E-07 0.292477E-03    0.974362E+00
  86   -0.715098E-05    0.701610E+02  0.101922E-06 0.258745E-03    0.970527E+00
  87    0.355091E-05    0.673231E+02 -0.527442E-07 0.258745E-03    0.977299E+00
  88    0.431122E-06    0.640109E+02 -0.673512E-08 0.258745E-03    0.954559E+00
  89   -0.636983E-05    0.624893E+02  0.101935E-06 0.258745E-03    0.972158E+00
  90    0.259085E-05    0.596392E+02 -0.434421E-07 0.258745E-03    0.969894E+00
  91    0.104193E-05    0.583012E+02 -0.178715E-07 0.258745E-03    0.981415E+00
  92   -0.488368E-05    0.558877E+02  0.873838E-07 0.258745E-03    0.966477E+00
  93    0.997808E-05    0.536828E+02 -0.185871E-06 0.258745E-03    0.971588E+00
  94    0.301379E-05    0.524853E+02 -0.574216E-07 0.258745E-03    0.968118E+00
  95    0.103556E-04    0.502343E+02 -0.206145E-06 0.292477E-03    0.972572E+00
  96    0.293882E-05    0.480861E+02 -0.611157E-07 0.258745E-03    0.973193E+00
  97    0.468799E-05    0.440452E+02 -0.106436E-06 0.258745E-03    0.969098E+00
  98   -0.401282E-05    0.395156E+02  0.101550E-06 0.258745E-03    0.971899E+00
  99   -0.365062E-05    0.381957E+02  0.955766E-07 0.258745E-03    0.962768E+00
 100    0.989265E-05    0.359277E+02 -0.275349E-06 0.258745E-03    0.972340E+00
 101   -0.222025E-04    0.343049E+02  0.647210E-06 0.258745E-03    0.967111E+00
 102   -0.113274E-04    0.304497E+02  0.372002E-06 0.258745E-03    0.972003E+00
 103    0.773273E-05    0.290979E+02 -0.265749E-06 0.292477E-03    0.968883E+00
 104    0.121414E-04    0.286694E+02 -0.423496E-06 0.258745E-03    0.970514E+00
 105    0.126093E-05    0.239596E+02 -0.526273E-07 0.258745E-03    0.924745E+00
 106    0.271216E-05    0.218417E+02 -0.124173E-06 0.258745E-03    0.976551E+00
 107   -0.203600E-04    0.198639E+02  0.102498E-05 0.292477E-03    0.965963E+00
 108    0.360112E-04    0.161979E+02 -0.222321E-05 0.258745E-03    0.971095E+00
 109   -0.211044E-04    0.140983E+02  0.149694E-05 0.258745E-03    0.969769E+00
 110   -0.276152E-05    0.130662E+02  0.211348E-06 0.258745E-03    0.954255E+00
 111   -0.216808E-04    0.120872E+02  0.179371E-05 0.258745E-03    0.962097E+00
 112    0.164678E-04    0.923401E+01 -0.178338E-05 0.258745E-03    0.972366E+00
 113   -0.499994E-04    0.745105E+01  0.671039E-05 0.258745E-03    0.968347E+00
 114    0.542802E-01    0.459392E+01  0.400000E-03 0.400000E-03    0.506156E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1181401947E-01

 Beginning of optimization cycle    8.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4027568768
 potential> RMS force:                                               0.0052559891   |gradient|=.5611860671E-01
 Eigenvalues of the Hessian matrix:
   714.08904    668.75287    620.84777    601.25087    589.17121    561.88386 
   558.14704    476.87331    472.30149    464.55307    441.90501    432.76648 
   419.68354    404.73652    398.68479    387.83669    366.98147    364.94264 
   353.71845    347.27690    325.81281    323.67693    319.13145    314.78923 
   305.42212    287.26829    280.18596    272.25353    265.99583    261.62354 
   257.77631    253.41238    245.50269    240.40807    233.46183    228.24994 
   226.36582    213.52836    211.44853    209.87231    202.78114    199.05223 
   195.09018    191.82141    186.52509    179.53086    170.76355    168.07641 
   165.87411    160.78191    154.36267    151.10420    147.96392    142.09859 
   136.83346    134.36353    131.04121    127.74013    125.41717    123.81409 
   119.47386    118.10675    116.02020    113.16878    110.69335    105.92949 
   102.90460    100.87934     97.15245     94.97190     91.92884     90.17293 
    87.20785     84.42252     80.99399     78.97385     78.65992     73.26650 
    71.04837     70.15306     67.32709     64.00414     62.48872     59.63992 
    58.30384     55.88668     53.68370     52.48297     50.23536     48.08520 
    44.04144     39.51915     38.18881     35.93161     34.30735     30.43957 
    29.09657     28.66983     23.95377     21.84185     19.85797     16.20420 
    14.09508     13.06135     12.08376      9.23597      7.45340      4.59803 
overlap for current and previous eigenvector    109 is         0.9999910672
overlap for current and previous eigenvector    110 is         0.9999932794
overlap for current and previous eigenvector    111 is         0.9999950511
overlap for current and previous eigenvector    112 is         0.9999996251
overlap for current and previous eigenvector    113 is         0.9999992024
overlap for current and previous eigenvector    114 is         0.9999989091
J1,K1,R1,R2,RAT=   7   7   -0.5890889988E-02     2.005728048        0.9941091100    
FOB,PFOB,DIAG,PSTEP=    0.3065824106E-06    0.3047867989E-06     714.0890371       -0.4268537970E-09
J1,K1,R1,R2,RAT=   8   8    0.3629605310E-01     1.963636508        0.9636365081    
FOB,PFOB,DIAG,PSTEP=   -0.1715013188E-06   -0.1779608117E-06     668.7528669        0.2661174575E-09
J1,K1,R1,R2,RAT=   9   9   -0.2945115327E-01     2.029344249        0.9705488467    
FOB,PFOB,DIAG,PSTEP=    0.2032191599E-06    0.1974050429E-06     620.8477727       -0.3179774558E-09
J1,K1,R1,R2,RAT=  10  10   -0.1009201238E-01     2.009992341        0.9899079876    
FOB,PFOB,DIAG,PSTEP=    0.7815904772E-06    0.7737810798E-06     601.2508701       -0.1287016255E-08
J1,K1,R1,R2,RAT=  11  11   -0.6273014371E-02     2.006235789        0.9937269856    
FOB,PFOB,DIAG,PSTEP=   -0.6961074280E-06   -0.6917678774E-06     589.1712061        0.1174159135E-08
J1,K1,R1,R2,RAT= 109 109   -0.2915098879E-01     2.029610273        0.9708490112    
FOB,PFOB,DIAG,PSTEP=   -0.2171942775E-04   -0.2110435614E-04     14.09508160        0.1496941373E-05
J1,K1,R1,R2,RAT= 110 110   -0.4506828992E-01     2.045814323        0.9549317101    
FOB,PFOB,DIAG,PSTEP=   -0.2885925995E-05   -0.2761515616E-05     13.06134679        0.2113477235E-06
J1,K1,R1,R2,RAT= 111 111   -0.3675946805E-01     2.037325649        0.9632405320    
FOB,PFOB,DIAG,PSTEP=   -0.2247758500E-04   -0.2168083461E-04     12.08375838        0.1793705073E-05
J1,K1,R1,R2,RAT= 112 112   -0.2644921701E-01     2.026025121        0.9735507830    
FOB,PFOB,DIAG,PSTEP=    0.1690343287E-04    0.1646778059E-04     9.235968676       -0.1783383408E-05
J1,K1,R1,R2,RAT= 113 113   -0.3054123890E-01     2.029911520        0.9694587611    
FOB,PFOB,DIAG,PSTEP=   -0.5152694557E-04   -0.4999942037E-04     7.453397398        0.6710385270E-05
J1,K1,R1,R2,RAT= 114 114    0.9994972211        -60.02501114        0.5027788828E-03
FOB,PFOB,DIAG,PSTEP=    0.5611853796E-01    0.5428024956E-01     4.598032779        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00001     -0.00000     -0.00000      0.00000      0.00001 
     0.00001      0.00000     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001      0.00001      0.00000      0.00000      0.00001     -0.00000 
     0.00000      0.00001     -0.00001      0.00000      0.00001      0.00000 
     0.00000      0.00000     -0.00000      0.00001      0.00002      0.00001 
     0.00001     -0.00001     -0.00000     -0.00000     -0.00002      0.00004 
    -0.00002     -0.00000     -0.00002      0.00002     -0.00005      0.05612 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4302842147
 Log product of positive Hessian eigenvalues =          520.5254968686
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5980327792
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000013
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000027
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000066
 Unscaled step for mode   15=       -0.0000000023
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000004
 Unscaled step for mode   18=       -0.0000000034
 Unscaled step for mode   19=       -0.0000000058
 Unscaled step for mode   20=       -0.0000000102
 Unscaled step for mode   21=       -0.0000000038
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000042
 Unscaled step for mode   24=       -0.0000000031
 Unscaled step for mode   25=        0.0000000080
 Unscaled step for mode   26=       -0.0000000109
 Unscaled step for mode   27=       -0.0000000084
 Unscaled step for mode   28=       -0.0000000072
 Unscaled step for mode   29=        0.0000000044
 Unscaled step for mode   30=        0.0000000059
 Unscaled step for mode   31=        0.0000000004
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000048
 Unscaled step for mode   34=       -0.0000000025
 Unscaled step for mode   35=       -0.0000000144
 Unscaled step for mode   36=       -0.0000000015
 Unscaled step for mode   37=        0.0000000060
 Unscaled step for mode   38=        0.0000000042
 Unscaled step for mode   39=        0.0000000108
 Unscaled step for mode   40=       -0.0000000009
 Unscaled step for mode   41=       -0.0000000026
 Unscaled step for mode   42=        0.0000000015
 Unscaled step for mode   43=       -0.0000000020
 Unscaled step for mode   44=       -0.0000000019
 Unscaled step for mode   45=        0.0000000048
 Unscaled step for mode   46=       -0.0000000038
 Unscaled step for mode   47=        0.0000000168
 Unscaled step for mode   48=        0.0000000044
 Unscaled step for mode   49=       -0.0000000079
 Unscaled step for mode   50=        0.0000000086
 Unscaled step for mode   51=        0.0000000078
 Unscaled step for mode   52=       -0.0000000016
 Unscaled step for mode   53=        0.0000000099
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=       -0.0000000190
 Unscaled step for mode   56=       -0.0000000077
 Unscaled step for mode   57=       -0.0000000038
 Unscaled step for mode   58=       -0.0000000173
 Unscaled step for mode   59=        0.0000000088
 Unscaled step for mode   60=        0.0000000151
 Unscaled step for mode   61=       -0.0000000133
 Unscaled step for mode   62=       -0.0000000466
 Unscaled step for mode   63=       -0.0000000296
 Unscaled step for mode   64=       -0.0000000039
 Unscaled step for mode   65=       -0.0000000076
 Unscaled step for mode   66=       -0.0000000314
 Unscaled step for mode   67=       -0.0000000035
 Unscaled step for mode   68=        0.0000000079
 Unscaled step for mode   69=        0.0000000067
 Unscaled step for mode   70=        0.0000000061
 Unscaled step for mode   71=       -0.0000000016
 Unscaled step for mode   72=        0.0000000404
 Unscaled step for mode   73=        0.0000000058
 Unscaled step for mode   74=       -0.0000000553
 Unscaled step for mode   75=        0.0000000236
 Unscaled step for mode   76=        0.0000000424
 Unscaled step for mode   77=       -0.0000000004
 Unscaled step for mode   78=       -0.0000000779
 Unscaled step for mode   79=       -0.0000001101
 Unscaled step for mode   80=       -0.0000000165
 Unscaled step for mode   81=        0.0000000253
 Unscaled step for mode   82=       -0.0000000387
 Unscaled step for mode   83=        0.0000000722
 Unscaled step for mode   84=       -0.0000000326
 Unscaled step for mode   85=        0.0000000887
 Unscaled step for mode   86=       -0.0000001049
 Unscaled step for mode   87=       -0.0000000539
 Unscaled step for mode   88=       -0.0000000070
 Unscaled step for mode   89=       -0.0000001047
 Unscaled step for mode   90=        0.0000000447
 Unscaled step for mode   91=       -0.0000000182
 Unscaled step for mode   92=       -0.0000000902
 Unscaled step for mode   93=        0.0000001910
 Unscaled step for mode   94=       -0.0000000592
 Unscaled step for mode   95=       -0.0000002116
 Unscaled step for mode   96=       -0.0000000627
 Unscaled step for mode   97=       -0.0000001096
 Unscaled step for mode   98=       -0.0000001043
 Unscaled step for mode   99=        0.0000000991
 Unscaled step for mode  100=       -0.0000002827
 Unscaled step for mode  101=       -0.0000006678
 Unscaled step for mode  102=       -0.0000003822
 Unscaled step for mode  103=       -0.0000002738
 Unscaled step for mode  104=        0.0000004356
 Unscaled step for mode  105=        0.0000000564
 Unscaled step for mode  106=        0.0000001269
 Unscaled step for mode  107=        0.0000010591
 Unscaled step for mode  108=       -0.0000022842
 Unscaled step for mode  109=        0.0000015409
 Unscaled step for mode  110=        0.0000002210
 Unscaled step for mode  111=        0.0000018601
 Unscaled step for mode  112=       -0.0000018302
 Unscaled step for mode  113=        0.0000069132
 Unscaled step for mode  114=        0.0122030842
 Largest modulus ratio of non-zero e/values=           155.3031636    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.735902E-15    0.101872E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.715248E-15    0.100787E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.562593E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.153957E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.134450E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.256617E-15    0.973407E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.306582E-06    0.714089E+03 -0.429334E-09 0.233103E-03    0.994109E+00
   8   -0.171501E-06    0.668753E+03  0.256449E-09 0.233103E-03    0.963637E+00
   9    0.203219E-06    0.620848E+03 -0.327325E-09 0.233103E-03    0.970549E+00
  10    0.781590E-06    0.601251E+03 -0.129994E-08 0.233103E-03    0.989908E+00
  11   -0.696107E-06    0.589171E+03  0.118150E-08 0.233103E-03    0.993727E+00
  12    0.150938E-05    0.561884E+03 -0.268628E-08 0.233103E-03    0.989742E+00
  13    0.177041E-05    0.558147E+03 -0.317193E-08 0.233103E-03    0.993847E+00
  14   -0.315006E-05    0.476873E+03  0.660565E-08 0.263492E-03    0.989066E+00
  15    0.108431E-05    0.472301E+03 -0.229581E-08 0.233103E-03    0.991386E+00
  16    0.273191E-06    0.464553E+03 -0.588072E-09 0.233103E-03    0.981333E+00
  17    0.169811E-06    0.441905E+03 -0.384271E-09 0.263492E-03    0.970139E+00
  18    0.146925E-05    0.432766E+03 -0.339501E-08 0.233103E-03    0.987027E+00
  19    0.243288E-05    0.419684E+03 -0.579693E-08 0.233103E-03    0.984635E+00
  20    0.412582E-05    0.404737E+03 -0.101938E-07 0.233103E-03    0.987965E+00
  21    0.151974E-05    0.398685E+03 -0.381188E-08 0.233103E-03    0.981224E+00
  22   -0.915688E-06    0.387837E+03  0.236101E-08 0.233103E-03    0.995109E+00
  23   -0.152744E-05    0.366981E+03  0.416218E-08 0.233103E-03    0.991257E+00
  24    0.113313E-05    0.364943E+03 -0.310495E-08 0.233103E-03    0.987885E+00
  25   -0.284157E-05    0.353718E+03  0.803343E-08 0.233103E-03    0.983516E+00
  26    0.379773E-05    0.347277E+03 -0.109357E-07 0.233103E-03    0.982180E+00
  27    0.272736E-05    0.325813E+03 -0.837095E-08 0.233103E-03    0.982438E+00
  28    0.234086E-05    0.323677E+03 -0.723209E-08 0.233103E-03    0.984299E+00
  29   -0.141128E-05    0.319131E+03  0.442224E-08 0.233103E-03    0.973533E+00
  30   -0.185194E-05    0.314789E+03  0.588311E-08 0.233103E-03    0.986056E+00
  31   -0.118697E-06    0.305422E+03  0.388634E-09 0.263492E-03    0.920769E+00
  32    0.440435E-06    0.287268E+03 -0.153318E-08 0.233103E-03    0.995599E+00
  33    0.135806E-05    0.280186E+03 -0.484698E-08 0.233103E-03    0.981355E+00
  34    0.672043E-06    0.272254E+03 -0.246845E-08 0.263492E-03    0.986765E+00
  35    0.382391E-05    0.265996E+03 -0.143758E-07 0.233103E-03    0.980151E+00
  36    0.391357E-06    0.261624E+03 -0.149588E-08 0.233103E-03    0.981086E+00
  37   -0.154107E-05    0.257776E+03  0.597833E-08 0.233103E-03    0.979835E+00
  38   -0.107604E-05    0.253412E+03  0.424619E-08 0.233103E-03    0.981789E+00
  39   -0.264958E-05    0.245503E+03  0.107925E-07 0.233103E-03    0.979515E+00
  40    0.228268E-06    0.240408E+03 -0.949501E-09 0.233103E-03    0.930298E+00
  41    0.611475E-06    0.233462E+03 -0.261917E-08 0.233103E-03    0.962688E+00
  42   -0.337537E-06    0.228250E+03  0.147880E-08 0.233103E-03    0.964857E+00
  43    0.462800E-06    0.226366E+03 -0.204448E-08 0.233103E-03    0.978069E+00
  44    0.396986E-06    0.213528E+03 -0.185917E-08 0.233103E-03    0.995880E+00
  45   -0.101941E-05    0.211449E+03  0.482107E-08 0.233103E-03    0.968663E+00
  46    0.804269E-06    0.209872E+03 -0.383218E-08 0.233103E-03    0.981048E+00
  47   -0.340530E-05    0.202781E+03  0.167930E-07 0.233103E-03    0.976827E+00
  48   -0.877730E-06    0.199052E+03  0.440955E-08 0.233103E-03    0.984621E+00
  49    0.154321E-05    0.195090E+03 -0.791023E-08 0.263492E-03    0.974860E+00
  50   -0.165466E-05    0.191821E+03  0.862603E-08 0.233103E-03    0.979018E+00
  51   -0.144686E-05    0.186525E+03  0.775692E-08 0.233103E-03    0.977203E+00
  52    0.286120E-06    0.179531E+03 -0.159371E-08 0.233103E-03    0.982531E+00
  53   -0.169163E-05    0.170764E+03  0.990625E-08 0.233103E-03    0.977321E+00
  54    0.224274E-06    0.168076E+03 -0.133436E-08 0.233103E-03    0.956371E+00
  55    0.314445E-05    0.165874E+03 -0.189568E-07 0.233103E-03    0.977726E+00
  56    0.123262E-05    0.160782E+03 -0.766639E-08 0.233103E-03    0.979482E+00
  57    0.593241E-06    0.154363E+03 -0.384316E-08 0.233103E-03    0.979611E+00
  58    0.261795E-05    0.151104E+03 -0.173255E-07 0.233103E-03    0.979050E+00
  59   -0.130188E-05    0.147964E+03  0.879862E-08 0.263492E-03    0.972410E+00
  60   -0.214589E-05    0.142099E+03  0.151014E-07 0.233103E-03    0.972990E+00
  61    0.182129E-05    0.136833E+03 -0.133102E-07 0.233103E-03    0.977282E+00
  62    0.625898E-05    0.134364E+03 -0.465825E-07 0.233103E-03    0.977477E+00
  63    0.388239E-05    0.131041E+03 -0.296272E-07 0.233103E-03    0.977518E+00
  64    0.498460E-06    0.127740E+03 -0.390214E-08 0.233103E-03    0.973959E+00
  65    0.949908E-06    0.125417E+03 -0.757398E-08 0.233103E-03    0.979428E+00
  66    0.388386E-05    0.123814E+03 -0.313685E-07 0.233103E-03    0.976189E+00
  67    0.414446E-06    0.119474E+03 -0.346893E-08 0.233103E-03    0.981379E+00
  68   -0.936546E-06    0.118107E+03  0.792965E-08 0.233103E-03    0.974709E+00
  69   -0.776803E-06    0.116020E+03  0.669541E-08 0.233103E-03    0.986093E+00
  70   -0.695769E-06    0.113169E+03  0.614807E-08 0.233103E-03    0.952061E+00
  71    0.173037E-06    0.110693E+03 -0.156321E-08 0.233103E-03    0.977731E+00
  72   -0.428421E-05    0.105929E+03  0.404440E-07 0.263492E-03    0.974640E+00
  73   -0.594019E-06    0.102905E+03  0.577253E-08 0.233103E-03    0.955209E+00
  74    0.557502E-05    0.100879E+03 -0.552643E-07 0.233103E-03    0.974495E+00
  75   -0.229646E-05    0.971525E+02  0.236377E-07 0.233103E-03    0.969308E+00
  76   -0.403131E-05    0.949719E+02  0.424474E-07 0.233103E-03    0.973214E+00
  77    0.386301E-07    0.919288E+02 -0.420217E-09 0.263492E-03    0.947133E+00
  78    0.702564E-05    0.901729E+02 -0.779130E-07 0.233103E-03    0.971897E+00
  79    0.960523E-05    0.872079E+02 -0.110142E-06 0.233103E-03    0.974271E+00
  80    0.139636E-05    0.844225E+02 -0.165401E-07 0.233103E-03    0.969466E+00
  81   -0.204891E-05    0.809940E+02  0.252970E-07 0.233103E-03    0.970526E+00
  82    0.305540E-05    0.789738E+02 -0.386888E-07 0.233103E-03    0.970419E+00
  83   -0.568134E-05    0.786599E+02  0.722266E-07 0.263492E-03    0.977534E+00
  84    0.238717E-05    0.732665E+02 -0.325821E-07 0.233103E-03    0.971077E+00
  85   -0.629865E-05    0.710484E+02  0.886530E-07 0.263492E-03    0.975051E+00
  86    0.735595E-05    0.701531E+02 -0.104856E-06 0.233103E-03    0.971333E+00
  87    0.362873E-05    0.673271E+02 -0.538971E-07 0.233103E-03    0.978084E+00
  88    0.449965E-06    0.640041E+02 -0.703025E-08 0.233103E-03    0.956287E+00
  89    0.654228E-05    0.624887E+02 -0.104695E-06 0.233103E-03    0.972927E+00
  90   -0.266681E-05    0.596399E+02  0.447151E-07 0.233103E-03    0.970683E+00
  91    0.106044E-05    0.583038E+02 -0.181881E-07 0.233103E-03    0.982236E+00
  92    0.504332E-05    0.558867E+02 -0.902419E-07 0.233103E-03    0.967311E+00
  93   -0.102532E-04    0.536837E+02  0.190993E-06 0.233103E-03    0.972427E+00
  94    0.310743E-05    0.524830E+02 -0.592083E-07 0.233103E-03    0.968928E+00
  95    0.106308E-04    0.502354E+02 -0.211619E-06 0.263492E-03    0.973423E+00
  96    0.301507E-05    0.480852E+02 -0.627027E-07 0.233103E-03    0.974051E+00
  97    0.482865E-05    0.440414E+02 -0.109639E-06 0.233103E-03    0.969992E+00
  98    0.412206E-05    0.395192E+02 -0.104305E-06 0.233103E-03    0.972781E+00
  99   -0.378303E-05    0.381888E+02  0.990612E-07 0.233103E-03    0.963722E+00
 100    0.101575E-04    0.359316E+02 -0.282690E-06 0.233103E-03    0.973230E+00
 101    0.229109E-04    0.343073E+02 -0.667812E-06 0.233103E-03    0.968097E+00
 102    0.116336E-04    0.304396E+02 -0.382188E-06 0.233103E-03    0.972952E+00
 103    0.796585E-05    0.290966E+02 -0.273773E-06 0.263492E-03    0.969851E+00
 104   -0.124875E-04    0.286698E+02  0.435561E-06 0.233103E-03    0.971495E+00
 105   -0.135190E-05    0.239538E+02  0.564379E-07 0.233103E-03    0.927837E+00
 106   -0.277276E-05    0.218419E+02  0.126947E-06 0.233103E-03    0.977656E+00
 107   -0.210317E-04    0.198580E+02  0.105911E-05 0.263492E-03    0.966999E+00
 108    0.370135E-04    0.162042E+02 -0.228419E-05 0.233103E-03    0.972180E+00
 109   -0.217194E-04    0.140951E+02  0.154092E-05 0.233103E-03    0.970849E+00
 110   -0.288593E-05    0.130613E+02  0.220952E-06 0.233103E-03    0.954932E+00
 111   -0.224776E-04    0.120838E+02  0.186015E-05 0.233103E-03    0.963241E+00
 112    0.169034E-04    0.923597E+01 -0.183017E-05 0.233103E-03    0.973551E+00
 113   -0.515269E-04    0.745340E+01  0.691322E-05 0.233103E-03    0.969459E+00
 114    0.561185E-01    0.459803E+01  0.400000E-03 0.400000E-03    0.502779E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1220308418E-01

 Beginning of optimization cycle    9.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4027340618
 potential> RMS force:                                               0.0054283137   |gradient|=.5795853049E-01
 Eigenvalues of the Hessian matrix:
   714.14719    668.77536    620.88082    601.28068    589.18203    561.90980 
   558.18320    476.88455    472.28061    464.53924    441.89945    432.75404 
   419.69000    404.74588    398.68164    387.84387    366.97947    364.93174 
   353.70557    347.23683    325.77776    323.68100    319.12957    314.81160 
   305.42244    287.26791    280.18445    272.24467    265.99176    261.62641 
   257.77219    253.41028    245.48626    240.39788    233.46798    228.25215 
   226.34806    213.51616    211.44122    209.87773    202.78163    199.04682 
   195.09187    191.81849    186.52778    179.51646    170.76084    168.07835 
   165.87268    160.78101    154.35456    151.10328    147.97014    142.10446 
   136.83451    134.36632    131.04139    127.73973    125.42017    123.82342 
   119.47253    118.10414    116.02415    113.16495    110.69019    105.92556 
   102.90289    100.87565     97.15447     94.97253     91.92165     90.17667 
    87.21684     84.42228     80.99163     78.97368     78.66217     73.26433 
    71.05168     70.14514     67.33104     63.99736     62.48816     59.64065 
    58.30649     55.88566     53.68456     52.48062     50.23646     48.08432 
    44.03764     39.52272     38.18188     35.93547     34.30985     30.42943 
    29.09526     28.67027     23.94791     21.84201     19.85210     16.21051 
    14.09185     13.05645     12.08030      9.23793      7.45572      4.60210 
overlap for current and previous eigenvector    109 is         0.9999910717
overlap for current and previous eigenvector    110 is        -0.9999932209
overlap for current and previous eigenvector    111 is        -0.9999949408
overlap for current and previous eigenvector    112 is        -0.9999996263
overlap for current and previous eigenvector    113 is         0.9999992061
overlap for current and previous eigenvector    114 is        -0.9999989138
J1,K1,R1,R2,RAT=   7   7   -0.5662062153E-02     2.005499205        0.9943379378    
FOB,PFOB,DIAG,PSTEP=    0.3083184406E-06    0.3065824106E-06     714.1471890       -0.4293335910E-09
J1,K1,R1,R2,RAT=   8   8    0.3832638182E-01     1.961606338        0.9616063377    
FOB,PFOB,DIAG,PSTEP=   -0.1649280727E-06   -0.1715013188E-06     668.7753647        0.2564494708E-09
J1,K1,R1,R2,RAT=   9   9   -0.2871631909E-01     2.028609864        0.9712836809    
FOB,PFOB,DIAG,PSTEP=    0.2090551768E-06    0.2032191599E-06     620.8808207       -0.3273252621E-09
J1,K1,R1,R2,RAT=  10  10   -0.9942566810E-02     2.009843407        0.9900574332    
FOB,PFOB,DIAG,PSTEP=    0.7893618780E-06    0.7815904772E-06     601.2806815       -0.1299940700E-08
J1,K1,R1,R2,RAT=  11  11   -0.6166012431E-02     2.006129274        0.9938339876    
FOB,PFOB,DIAG,PSTEP=   -0.7003997139E-06   -0.6961074280E-06     589.1820289        0.1181502797E-08
J1,K1,R1,R2,RAT= 109 109   -0.2813510240E-01     2.028593456        0.9718648976    
FOB,PFOB,DIAG,PSTEP=   -0.2233036606E-04   -0.2171942775E-04     14.09185208        0.1540922455E-05
J1,K1,R1,R2,RAT= 110 110     2.045177090       -0.4442692664E-01    0.9555730734    
FOB,PFOB,DIAG,PSTEP=    0.3014090746E-05   -0.2885925995E-05     13.05644955        0.2209516402E-06
J1,K1,R1,R2,RAT= 111 111     2.036258381       -0.3568564147E-01    0.9643143585    
FOB,PFOB,DIAG,PSTEP=    0.2327948240E-04   -0.2247758500E-04     12.08029895        0.1860148498E-05
J1,K1,R1,R2,RAT= 112 112     2.024913010       -0.2533746558E-01    0.9746625344    
FOB,PFOB,DIAG,PSTEP=   -0.1733181393E-04    0.1690343287E-04     9.237929221       -0.1830174339E-05
J1,K1,R1,R2,RAT= 113 113   -0.2948737734E-01     2.028864467        0.9705126227    
FOB,PFOB,DIAG,PSTEP=   -0.5304681343E-04   -0.5152694557E-04     7.455719521        0.6913215923E-05
J1,K1,R1,R2,RAT= 114 114    -61.97003044        0.9995005988        0.4994011573E-03
FOB,PFOB,DIAG,PSTEP=   -0.5795846005E-01    0.5611853796E-01     4.602103516        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00001     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00001     -0.00000      0.00000     -0.00000      0.00001 
     0.00001      0.00000     -0.00000     -0.00000     -0.00001      0.00000 
    -0.00001      0.00001      0.00000     -0.00000      0.00001     -0.00000 
     0.00000      0.00001     -0.00001      0.00000      0.00001      0.00000 
    -0.00000      0.00000      0.00000      0.00001     -0.00002      0.00001 
     0.00001     -0.00001      0.00000      0.00000      0.00002      0.00004 
    -0.00002      0.00000      0.00002     -0.00002     -0.00005     -0.05796 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4303819157
 Log product of positive Hessian eigenvalues =          520.5251483466
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6021035161
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000013
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000027
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000067
 Unscaled step for mode   15=       -0.0000000023
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000004
 Unscaled step for mode   18=       -0.0000000034
 Unscaled step for mode   19=       -0.0000000059
 Unscaled step for mode   20=       -0.0000000103
 Unscaled step for mode   21=       -0.0000000039
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000042
 Unscaled step for mode   24=       -0.0000000031
 Unscaled step for mode   25=        0.0000000082
 Unscaled step for mode   26=       -0.0000000111
 Unscaled step for mode   27=       -0.0000000085
 Unscaled step for mode   28=       -0.0000000073
 Unscaled step for mode   29=        0.0000000045
 Unscaled step for mode   30=        0.0000000060
 Unscaled step for mode   31=        0.0000000004
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000049
 Unscaled step for mode   34=       -0.0000000025
 Unscaled step for mode   35=       -0.0000000147
 Unscaled step for mode   36=       -0.0000000015
 Unscaled step for mode   37=        0.0000000061
 Unscaled step for mode   38=        0.0000000043
 Unscaled step for mode   39=        0.0000000110
 Unscaled step for mode   40=       -0.0000000010
 Unscaled step for mode   41=       -0.0000000027
 Unscaled step for mode   42=        0.0000000015
 Unscaled step for mode   43=       -0.0000000021
 Unscaled step for mode   44=       -0.0000000018
 Unscaled step for mode   45=        0.0000000050
 Unscaled step for mode   46=       -0.0000000039
 Unscaled step for mode   47=        0.0000000172
 Unscaled step for mode   48=        0.0000000045
 Unscaled step for mode   49=       -0.0000000081
 Unscaled step for mode   50=        0.0000000088
 Unscaled step for mode   51=        0.0000000079
 Unscaled step for mode   52=       -0.0000000016
 Unscaled step for mode   53=       -0.0000000101
 Unscaled step for mode   54=       -0.0000000014
 Unscaled step for mode   55=        0.0000000194
 Unscaled step for mode   56=       -0.0000000078
 Unscaled step for mode   57=       -0.0000000039
 Unscaled step for mode   58=       -0.0000000177
 Unscaled step for mode   59=       -0.0000000090
 Unscaled step for mode   60=       -0.0000000155
 Unscaled step for mode   61=       -0.0000000136
 Unscaled step for mode   62=        0.0000000476
 Unscaled step for mode   63=        0.0000000303
 Unscaled step for mode   64=        0.0000000040
 Unscaled step for mode   65=       -0.0000000077
 Unscaled step for mode   66=        0.0000000321
 Unscaled step for mode   67=        0.0000000035
 Unscaled step for mode   68=       -0.0000000081
 Unscaled step for mode   69=       -0.0000000068
 Unscaled step for mode   70=        0.0000000064
 Unscaled step for mode   71=        0.0000000016
 Unscaled step for mode   72=        0.0000000414
 Unscaled step for mode   73=        0.0000000060
 Unscaled step for mode   74=       -0.0000000566
 Unscaled step for mode   75=        0.0000000243
 Unscaled step for mode   76=       -0.0000000436
 Unscaled step for mode   77=        0.0000000004
 Unscaled step for mode   78=       -0.0000000800
 Unscaled step for mode   79=       -0.0000001129
 Unscaled step for mode   80=       -0.0000000170
 Unscaled step for mode   81=        0.0000000260
 Unscaled step for mode   82=        0.0000000398
 Unscaled step for mode   83=        0.0000000738
 Unscaled step for mode   84=       -0.0000000335
 Unscaled step for mode   85=        0.0000000908
 Unscaled step for mode   86=       -0.0000001078
 Unscaled step for mode   87=       -0.0000000550
 Unscaled step for mode   88=        0.0000000073
 Unscaled step for mode   89=       -0.0000001075
 Unscaled step for mode   90=        0.0000000460
 Unscaled step for mode   91=       -0.0000000185
 Unscaled step for mode   92=       -0.0000000931
 Unscaled step for mode   93=        0.0000001961
 Unscaled step for mode   94=       -0.0000000610
 Unscaled step for mode   95=       -0.0000002171
 Unscaled step for mode   96=       -0.0000000643
 Unscaled step for mode   97=        0.0000001128
 Unscaled step for mode   98=       -0.0000001070
 Unscaled step for mode   99=       -0.0000001026
 Unscaled step for mode  100=       -0.0000002900
 Unscaled step for mode  101=        0.0000006884
 Unscaled step for mode  102=       -0.0000003923
 Unscaled step for mode  103=       -0.0000002818
 Unscaled step for mode  104=        0.0000004476
 Unscaled step for mode  105=       -0.0000000604
 Unscaled step for mode  106=       -0.0000001296
 Unscaled step for mode  107=       -0.0000010933
 Unscaled step for mode  108=       -0.0000023445
 Unscaled step for mode  109=        0.0000015846
 Unscaled step for mode  110=       -0.0000002309
 Unscaled step for mode  111=       -0.0000019271
 Unscaled step for mode  112=        0.0000018762
 Unscaled step for mode  113=        0.0000071149
 Unscaled step for mode  114=       -0.0125919094
 Largest modulus ratio of non-zero e/values=           155.1784280    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.147451E-15    0.101872E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.468375E-15    0.100787E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.924765E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.606069E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.750478E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.740029E-15    0.973408E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.308318E-06    0.714147E+03 -0.431730E-09 0.210003E-03    0.994338E+00
   8   -0.164928E-06    0.668775E+03  0.246612E-09 0.210003E-03    0.961606E+00
   9    0.209055E-06    0.620881E+03 -0.336707E-09 0.210003E-03    0.971284E+00
  10    0.789362E-06    0.601281E+03 -0.131280E-08 0.210003E-03    0.990057E+00
  11   -0.700400E-06    0.589182E+03  0.118877E-08 0.210003E-03    0.993834E+00
  12    0.152468E-05    0.561910E+03 -0.271339E-08 0.210003E-03    0.989862E+00
  13    0.178104E-05    0.558183E+03 -0.319079E-08 0.210003E-03    0.993991E+00
  14   -0.318398E-05    0.476885E+03  0.667663E-08 0.237381E-03    0.989232E+00
  15    0.109352E-05    0.472281E+03 -0.231540E-08 0.210003E-03    0.991509E+00
  16    0.278274E-06    0.464539E+03 -0.599033E-09 0.210003E-03    0.981391E+00
  17    0.174819E-06    0.441899E+03 -0.395608E-09 0.237381E-03    0.970511E+00
  18    0.148806E-05    0.432754E+03 -0.343858E-08 0.210003E-03    0.987196E+00
  19    0.246982E-05    0.419690E+03 -0.588486E-08 0.210003E-03    0.984816E+00
  20    0.417468E-05    0.404746E+03 -0.103143E-07 0.210003E-03    0.988157E+00
  21    0.154787E-05    0.398682E+03 -0.388248E-08 0.210003E-03    0.981487E+00
  22   -0.919923E-06    0.387844E+03  0.237189E-08 0.210003E-03    0.995375E+00
  23   -0.154048E-05    0.366979E+03  0.419772E-08 0.210003E-03    0.991465E+00
  24    0.114660E-05    0.364932E+03 -0.314197E-08 0.210003E-03    0.988109E+00
  25   -0.288780E-05    0.353706E+03  0.816442E-08 0.210003E-03    0.983731E+00
  26    0.386457E-05    0.347237E+03 -0.111295E-07 0.210003E-03    0.982398E+00
  27    0.277452E-05    0.325778E+03 -0.851661E-08 0.210003E-03    0.982708E+00
  28    0.237703E-05    0.323681E+03 -0.734375E-08 0.210003E-03    0.984548E+00
  29   -0.144818E-05    0.319130E+03  0.453790E-08 0.210003E-03    0.973852E+00
  30   -0.187738E-05    0.314812E+03  0.596351E-08 0.210003E-03    0.986261E+00
  31   -0.127628E-06    0.305422E+03  0.417874E-09 0.237381E-03    0.924762E+00
  32    0.442196E-06    0.287268E+03 -0.153931E-08 0.210003E-03    0.996003E+00
  33    0.138299E-05    0.280184E+03 -0.493599E-08 0.210003E-03    0.981642E+00
  34    0.680803E-06    0.272245E+03 -0.250070E-08 0.237381E-03    0.986965E+00
  35    0.389864E-05    0.265992E+03 -0.146570E-07 0.210003E-03    0.980458E+00
  36    0.398712E-06    0.261626E+03 -0.152397E-08 0.210003E-03    0.981207E+00
  37   -0.157168E-05    0.257772E+03  0.609717E-08 0.210003E-03    0.980137E+00
  38   -0.109529E-05    0.253410E+03  0.432220E-08 0.210003E-03    0.982109E+00
  39   -0.270303E-05    0.245486E+03  0.110109E-07 0.210003E-03    0.979825E+00
  40    0.243582E-06    0.240398E+03 -0.101324E-08 0.210003E-03    0.932910E+00
  41    0.633892E-06    0.233468E+03 -0.271511E-08 0.210003E-03    0.963341E+00
  42   -0.349188E-06    0.228252E+03  0.152984E-08 0.210003E-03    0.965482E+00
  43    0.472802E-06    0.226348E+03 -0.208883E-08 0.210003E-03    0.978386E+00
  44    0.394908E-06    0.213516E+03 -0.184955E-08 0.210003E-03    0.994765E+00
  45   -0.105074E-05    0.211441E+03  0.496940E-08 0.210003E-03    0.969267E+00
  46    0.819442E-06    0.209878E+03 -0.390438E-08 0.210003E-03    0.981135E+00
  47   -0.348290E-05    0.202782E+03  0.171756E-07 0.210003E-03    0.977213E+00
  48   -0.890813E-06    0.199047E+03  0.447540E-08 0.210003E-03    0.985094E+00
  49    0.158139E-05    0.195092E+03 -0.810590E-08 0.237381E-03    0.975255E+00
  50   -0.168872E-05    0.191818E+03  0.880375E-08 0.210003E-03    0.979413E+00
  51   -0.147923E-05    0.186528E+03  0.793033E-08 0.210003E-03    0.977631E+00
  52    0.290984E-06    0.179516E+03 -0.162093E-08 0.210003E-03    0.982999E+00
  53    0.172922E-05    0.170761E+03 -0.101266E-07 0.210003E-03    0.977776E+00
  54    0.233901E-06    0.168078E+03 -0.139162E-08 0.210003E-03    0.957074E+00
  55   -0.321309E-05    0.165873E+03  0.193708E-07 0.210003E-03    0.978169E+00
  56    0.125738E-05    0.160781E+03 -0.782046E-08 0.210003E-03    0.979909E+00
  57    0.605059E-06    0.154355E+03 -0.391993E-08 0.210003E-03    0.980078E+00
  58    0.267161E-05    0.151103E+03 -0.176807E-07 0.210003E-03    0.979502E+00
  59    0.133708E-05    0.147970E+03 -0.903616E-08 0.237381E-03    0.972960E+00
  60    0.220266E-05    0.142104E+03 -0.155003E-07 0.210003E-03    0.973546E+00
  61    0.186179E-05    0.136835E+03 -0.136061E-07 0.210003E-03    0.977761E+00
  62   -0.639679E-05    0.134366E+03  0.476071E-07 0.210003E-03    0.977983E+00
  63   -0.396772E-05    0.131041E+03  0.302783E-07 0.210003E-03    0.978021E+00
  64   -0.511209E-06    0.127740E+03  0.400196E-08 0.210003E-03    0.974424E+00
  65    0.968873E-06    0.125420E+03 -0.772501E-08 0.210003E-03    0.980035E+00
  66   -0.397431E-05    0.123823E+03  0.320966E-07 0.210003E-03    0.976713E+00
  67   -0.421959E-06    0.119473E+03  0.353185E-08 0.210003E-03    0.981873E+00
  68    0.959723E-06    0.118104E+03 -0.812608E-08 0.210003E-03    0.975251E+00
  69    0.787110E-06    0.116024E+03 -0.678402E-08 0.210003E-03    0.986732E+00
  70   -0.728270E-06    0.113165E+03  0.643547E-08 0.210003E-03    0.953287E+00
  71   -0.176761E-06    0.110690E+03  0.159690E-08 0.210003E-03    0.978475E+00
  72   -0.439041E-05    0.105926E+03  0.414481E-07 0.237381E-03    0.975210E+00
  73   -0.620098E-06    0.102903E+03  0.602605E-08 0.210003E-03    0.956098E+00
  74    0.571386E-05    0.100876E+03 -0.566426E-07 0.210003E-03    0.975095E+00
  75   -0.236551E-05    0.971545E+02  0.243479E-07 0.210003E-03    0.969934E+00
  76    0.413684E-05    0.949725E+02 -0.435582E-07 0.210003E-03    0.973824E+00
  77   -0.363538E-07    0.919216E+02  0.395486E-09 0.237381E-03    0.941070E+00
  78    0.721859E-05    0.901767E+02 -0.800494E-07 0.210003E-03    0.972538E+00
  79    0.984598E-05    0.872168E+02 -0.112891E-06 0.210003E-03    0.974937E+00
  80    0.143810E-05    0.844223E+02 -0.170346E-07 0.210003E-03    0.970105E+00
  81   -0.210788E-05    0.809916E+02  0.260258E-07 0.210003E-03    0.971218E+00
  82   -0.314424E-05    0.789737E+02  0.398138E-07 0.210003E-03    0.970922E+00
  83   -0.580464E-05    0.786622E+02  0.737920E-07 0.237381E-03    0.978298E+00
  84    0.245455E-05    0.732643E+02 -0.335027E-07 0.210003E-03    0.971775E+00
  85   -0.645167E-05    0.710517E+02  0.908025E-07 0.237381E-03    0.975707E+00
  86    0.756119E-05    0.701451E+02 -0.107793E-06 0.210003E-03    0.972096E+00
  87    0.370552E-05    0.673310E+02 -0.550343E-07 0.210003E-03    0.978841E+00
  88   -0.468919E-06    0.639974E+02  0.732717E-08 0.210003E-03    0.957872E+00
  89    0.671462E-05    0.624882E+02 -0.107454E-06 0.210003E-03    0.973657E+00
  90   -0.274296E-05    0.596406E+02  0.459915E-07 0.210003E-03    0.971443E+00
  91    0.107843E-05    0.583065E+02 -0.184959E-07 0.210003E-03    0.983036E+00
  92    0.520422E-05    0.558857E+02 -0.931227E-07 0.210003E-03    0.968095E+00
  93   -0.105278E-04    0.536846E+02  0.196104E-06 0.210003E-03    0.973224E+00
  94    0.320156E-05    0.524806E+02 -0.610046E-07 0.210003E-03    0.969707E+00
  95    0.109047E-04    0.502365E+02 -0.217068E-06 0.237381E-03    0.974232E+00
  96    0.309087E-05    0.480843E+02 -0.642802E-07 0.210003E-03    0.974860E+00
  97   -0.496946E-05    0.440376E+02  0.112846E-06 0.210003E-03    0.970837E+00
  98    0.423083E-05    0.395227E+02 -0.107048E-06 0.210003E-03    0.973613E+00
  99    0.391680E-05    0.381819E+02 -0.102583E-06 0.210003E-03    0.964632E+00
 100    0.104209E-04    0.359355E+02 -0.289989E-06 0.210003E-03    0.974073E+00
 101   -0.236205E-04    0.343099E+02  0.688448E-06 0.210003E-03    0.969027E+00
 102    0.119377E-04    0.304294E+02 -0.392308E-06 0.210003E-03    0.973853E+00
 103    0.819873E-05    0.290953E+02 -0.281789E-06 0.237381E-03    0.970764E+00
 104   -0.128318E-04    0.286703E+02  0.447565E-06 0.210003E-03    0.972425E+00
 105    0.144566E-05    0.239479E+02 -0.603668E-07 0.210003E-03    0.930630E+00
 106    0.283166E-05    0.218420E+02 -0.129643E-06 0.210003E-03    0.978755E+00
 107    0.217049E-04    0.198521E+02 -0.109333E-05 0.237381E-03    0.967981E+00
 108    0.380057E-04    0.162105E+02 -0.234451E-05 0.210003E-03    0.973202E+00
 109   -0.223304E-04    0.140919E+02  0.158463E-05 0.210003E-03    0.971865E+00
 110    0.301409E-05    0.130564E+02 -0.230851E-06 0.210003E-03    0.955573E+00
 111    0.232795E-04    0.120803E+02 -0.192706E-05 0.210003E-03    0.964314E+00
 112   -0.173318E-04    0.923793E+01  0.187616E-05 0.210003E-03    0.974663E+00
 113   -0.530468E-04    0.745572E+01  0.711492E-05 0.210003E-03    0.970513E+00
 114   -0.579585E-01    0.460210E+01 -0.400000E-03 0.400000E-03    0.499401E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1259190937E-01

 Beginning of optimization cycle   10.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4027105104
 potential> RMS force:                                               0.0056007899   |gradient|=.5980007161E-01
 Eigenvalues of the Hessian matrix:
   714.20535    668.79781    620.91373    601.31034    589.19271    561.93570 
   558.21938    476.89585    472.25971    464.52545    441.89392    432.74163 
   419.69650    404.75528    398.67848    387.85103    366.97751    364.92085 
   353.69273    347.19674    325.74274    323.68509    319.12766    314.83393 
   305.42273    287.26756    280.18291    272.23583    265.98774    261.62935 
   257.76814    253.40824    245.46982    240.38772    233.47420    228.25438 
   226.33028    213.50404    211.43392    209.88311    202.78214    199.04142 
   195.09362    191.81557    186.53037    179.50205    170.75817    168.08029 
   165.87125    160.78010    154.34647    151.10238    147.97638    142.11031 
   136.83556    134.36914    131.04155    127.73932    125.42318    123.83272 
   119.47121    118.10154    116.02812    113.16107    110.68697    105.92161 
   102.90119    100.87196     97.15646     94.97316     91.91446     90.18043 
    87.22587     84.42206     80.98931     78.97351     78.66441     73.26215 
    71.05498     70.13722     67.33498     63.99058     62.48756     59.64136 
    58.30916     55.88463     53.68539     52.47829     50.23755     48.08344 
    44.03383     39.52628     38.17493     35.93931     34.31242     30.41929 
    29.09395     28.67071     23.94205     21.84219     19.84629     16.21678 
    14.08863     13.05153     12.07680      9.23989      7.45802      4.60613 
overlap for current and previous eigenvector    109 is        -0.9999910781
overlap for current and previous eigenvector    110 is         0.9999931615
overlap for current and previous eigenvector    111 is         0.9999948281
overlap for current and previous eigenvector    112 is         0.9999996274
overlap for current and previous eigenvector    113 is         0.9999992097
overlap for current and previous eigenvector    114 is        -0.9999989186
J1,K1,R1,R2,RAT=   7   7   -0.5433183345E-02     2.005270311        0.9945668167    
FOB,PFOB,DIAG,PSTEP=    0.3099937277E-06    0.3083184406E-06     714.2053511       -0.4317295445E-09
J1,K1,R1,R2,RAT=   8   8    0.4053570195E-01     1.959397177        0.9593971765    
FOB,PFOB,DIAG,PSTEP=   -0.1582423731E-06   -0.1649280727E-06     668.7978101        0.2466120634E-09
J1,K1,R1,R2,RAT=   9   9   -0.2801112500E-01     2.027905118        0.9719888750    
FOB,PFOB,DIAG,PSTEP=    0.2149113579E-06    0.2090551768E-06     620.9137314       -0.3367074160E-09
J1,K1,R1,R2,RAT=  10  10   -0.9795676271E-02     2.009697027        0.9902043237    
FOB,PFOB,DIAG,PSTEP=    0.7970945929E-06    0.7893618780E-06     601.3103410       -0.1312800997E-08
J1,K1,R1,R2,RAT=  11  11   -0.6060587182E-02     2.006024334        0.9939394128    
FOB,PFOB,DIAG,PSTEP=   -0.7046446243E-06   -0.7003997139E-06     589.1927088        0.1188766255E-08
J1,K1,R1,R2,RAT= 109 109     2.027637257       -0.2717989590E-01    0.9728201041    
FOB,PFOB,DIAG,PSTEP=    0.2293716432E-04   -0.2233036606E-04     14.08863028        0.1584629610E-05
J1,K1,R1,R2,RAT= 110 110   -0.4383699999E-01     2.044591226        0.9561630000    
FOB,PFOB,DIAG,PSTEP=    0.3146169633E-05    0.3014090746E-05     13.05152765       -0.2308507174E-06
J1,K1,R1,R2,RAT= 111 111   -0.3467397562E-01     2.035253379        0.9653260244    
FOB,PFOB,DIAG,PSTEP=    0.2408644083E-04    0.2327948240E-04     12.07680028       -0.1927061780E-05
J1,K1,R1,R2,RAT= 112 112   -0.2428919090E-01     2.023864391        0.9757108091    
FOB,PFOB,DIAG,PSTEP=   -0.1775287911E-04   -0.1733181393E-04     9.239891776        0.1876157905E-05
J1,K1,R1,R2,RAT= 113 113   -0.2849845469E-01     2.027882295        0.9715015453    
FOB,PFOB,DIAG,PSTEP=   -0.5455903152E-04   -0.5304681343E-04     7.458017188        0.7114915372E-05
J1,K1,R1,R2,RAT= 114 114    -63.91394394        0.9995039776        0.4960224487E-03
FOB,PFOB,DIAG,PSTEP=    0.5979999949E-01   -0.5795846005E-01     4.606133352       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00001     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00001     -0.00000     -0.00000     -0.00000     -0.00001 
     0.00001     -0.00000     -0.00000     -0.00000      0.00001     -0.00000 
     0.00001      0.00001     -0.00000     -0.00000      0.00001     -0.00000 
     0.00000      0.00001     -0.00001     -0.00000      0.00001      0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00002     -0.00001 
    -0.00001     -0.00001      0.00000      0.00000     -0.00002     -0.00004 
     0.00002      0.00000      0.00002     -0.00002     -0.00005      0.05980 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4304795335
 Log product of positive Hessian eigenvalues =          520.5247834684
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6061333517
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000013
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000027
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000067
 Unscaled step for mode   15=       -0.0000000023
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000004
 Unscaled step for mode   18=       -0.0000000035
 Unscaled step for mode   19=       -0.0000000060
 Unscaled step for mode   20=       -0.0000000104
 Unscaled step for mode   21=       -0.0000000040
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000042
 Unscaled step for mode   24=       -0.0000000032
 Unscaled step for mode   25=        0.0000000083
 Unscaled step for mode   26=       -0.0000000113
 Unscaled step for mode   27=       -0.0000000087
 Unscaled step for mode   28=       -0.0000000075
 Unscaled step for mode   29=        0.0000000047
 Unscaled step for mode   30=        0.0000000060
 Unscaled step for mode   31=        0.0000000004
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000050
 Unscaled step for mode   34=       -0.0000000025
 Unscaled step for mode   35=       -0.0000000149
 Unscaled step for mode   36=       -0.0000000016
 Unscaled step for mode   37=        0.0000000062
 Unscaled step for mode   38=        0.0000000044
 Unscaled step for mode   39=        0.0000000112
 Unscaled step for mode   40=       -0.0000000011
 Unscaled step for mode   41=       -0.0000000028
 Unscaled step for mode   42=        0.0000000016
 Unscaled step for mode   43=       -0.0000000021
 Unscaled step for mode   44=       -0.0000000018
 Unscaled step for mode   45=        0.0000000051
 Unscaled step for mode   46=       -0.0000000040
 Unscaled step for mode   47=        0.0000000176
 Unscaled step for mode   48=        0.0000000045
 Unscaled step for mode   49=       -0.0000000083
 Unscaled step for mode   50=        0.0000000090
 Unscaled step for mode   51=        0.0000000081
 Unscaled step for mode   52=       -0.0000000016
 Unscaled step for mode   53=        0.0000000103
 Unscaled step for mode   54=        0.0000000015
 Unscaled step for mode   55=       -0.0000000198
 Unscaled step for mode   56=        0.0000000080
 Unscaled step for mode   57=       -0.0000000040
 Unscaled step for mode   58=        0.0000000180
 Unscaled step for mode   59=       -0.0000000093
 Unscaled step for mode   60=        0.0000000159
 Unscaled step for mode   61=        0.0000000139
 Unscaled step for mode   62=        0.0000000486
 Unscaled step for mode   63=        0.0000000309
 Unscaled step for mode   64=        0.0000000041
 Unscaled step for mode   65=       -0.0000000079
 Unscaled step for mode   66=       -0.0000000328
 Unscaled step for mode   67=       -0.0000000036
 Unscaled step for mode   68=        0.0000000083
 Unscaled step for mode   69=       -0.0000000069
 Unscaled step for mode   70=        0.0000000067
 Unscaled step for mode   71=        0.0000000016
 Unscaled step for mode   72=       -0.0000000425
 Unscaled step for mode   73=       -0.0000000063
 Unscaled step for mode   74=       -0.0000000580
 Unscaled step for mode   75=        0.0000000251
 Unscaled step for mode   76=        0.0000000447
 Unscaled step for mode   77=        0.0000000004
 Unscaled step for mode   78=        0.0000000822
 Unscaled step for mode   79=       -0.0000001156
 Unscaled step for mode   80=        0.0000000175
 Unscaled step for mode   81=        0.0000000268
 Unscaled step for mode   82=        0.0000000410
 Unscaled step for mode   83=       -0.0000000753
 Unscaled step for mode   84=        0.0000000344
 Unscaled step for mode   85=       -0.0000000929
 Unscaled step for mode   86=       -0.0000001107
 Unscaled step for mode   87=        0.0000000562
 Unscaled step for mode   88=        0.0000000076
 Unscaled step for mode   89=       -0.0000001102
 Unscaled step for mode   90=        0.0000000473
 Unscaled step for mode   91=       -0.0000000188
 Unscaled step for mode   92=       -0.0000000960
 Unscaled step for mode   93=        0.0000002012
 Unscaled step for mode   94=        0.0000000628
 Unscaled step for mode   95=       -0.0000002225
 Unscaled step for mode   96=       -0.0000000658
 Unscaled step for mode   97=       -0.0000001161
 Unscaled step for mode   98=        0.0000001098
 Unscaled step for mode   99=        0.0000001061
 Unscaled step for mode  100=       -0.0000002972
 Unscaled step for mode  101=       -0.0000007091
 Unscaled step for mode  102=        0.0000004024
 Unscaled step for mode  103=        0.0000002898
 Unscaled step for mode  104=        0.0000004595
 Unscaled step for mode  105=       -0.0000000644
 Unscaled step for mode  106=       -0.0000001323
 Unscaled step for mode  107=        0.0000011276
 Unscaled step for mode  108=        0.0000024042
 Unscaled step for mode  109=       -0.0000016281
 Unscaled step for mode  110=       -0.0000002411
 Unscaled step for mode  111=       -0.0000019944
 Unscaled step for mode  112=        0.0000019213
 Unscaled step for mode  113=        0.0000073155
 Unscaled step for mode  114=        0.0129805021
 Largest modulus ratio of non-zero e/values=           155.0552918    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.780626E-16    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.214076E-15    0.100787E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.613252E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.764579E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.993810E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.361141E-15    0.973409E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.309994E-06    0.714205E+03 -0.434040E-09 0.189192E-03    0.994567E+00
   8   -0.158242E-06    0.668798E+03  0.236607E-09 0.189192E-03    0.959397E+00
   9    0.214911E-06    0.620914E+03 -0.346121E-09 0.189192E-03    0.971989E+00
  10    0.797095E-06    0.601310E+03 -0.132560E-08 0.189192E-03    0.990204E+00
  11   -0.704645E-06    0.589193E+03  0.119595E-08 0.189192E-03    0.993939E+00
  12    0.153996E-05    0.561936E+03 -0.274045E-08 0.189192E-03    0.989980E+00
  13    0.179149E-05    0.558219E+03 -0.320930E-08 0.189192E-03    0.994134E+00
  14   -0.321775E-05    0.476896E+03  0.674728E-08 0.213856E-03    0.989395E+00
  15    0.110267E-05    0.472260E+03 -0.233489E-08 0.189192E-03    0.991629E+00
  16    0.283437E-06    0.464525E+03 -0.610164E-09 0.189192E-03    0.981448E+00
  17    0.179911E-06    0.441894E+03 -0.407135E-09 0.213856E-03    0.970873E+00
  18    0.150687E-05    0.432742E+03 -0.348214E-08 0.189192E-03    0.987361E+00
  19    0.250688E-05    0.419697E+03 -0.597308E-08 0.189192E-03    0.984993E+00
  20    0.422334E-05    0.404755E+03 -0.104343E-07 0.189192E-03    0.988345E+00
  21    0.157613E-05    0.398678E+03 -0.395339E-08 0.189192E-03    0.981744E+00
  22   -0.923936E-06    0.387851E+03  0.238219E-08 0.189192E-03    0.995638E+00
  23   -0.155331E-05    0.366978E+03  0.423272E-08 0.189192E-03    0.991668E+00
  24    0.115999E-05    0.364921E+03 -0.317874E-08 0.189192E-03    0.988327E+00
  25   -0.293417E-05    0.353693E+03  0.829583E-08 0.189192E-03    0.983940E+00
  26    0.393177E-05    0.347197E+03 -0.113243E-07 0.189192E-03    0.982610E+00
  27    0.282176E-05    0.325743E+03 -0.866256E-08 0.189192E-03    0.982971E+00
  28    0.241318E-05    0.323685E+03 -0.745535E-08 0.189192E-03    0.984791E+00
  29   -0.148560E-05    0.319128E+03  0.465518E-08 0.189192E-03    0.974162E+00
  30   -0.190281E-05    0.314834E+03  0.604385E-08 0.189192E-03    0.986459E+00
  31   -0.136775E-06    0.305423E+03  0.447821E-09 0.213856E-03    0.928332E+00
  32    0.443786E-06    0.287268E+03 -0.154485E-08 0.189192E-03    0.996403E+00
  33    0.140799E-05    0.280183E+03 -0.502526E-08 0.189192E-03    0.981921E+00
  34    0.689547E-06    0.272236E+03 -0.253290E-08 0.213856E-03    0.987156E+00
  35    0.397366E-05    0.265988E+03 -0.149393E-07 0.189192E-03    0.980756E+00
  36    0.406160E-06    0.261629E+03 -0.155243E-08 0.189192E-03    0.981319E+00
  37   -0.160244E-05    0.257768E+03  0.621659E-08 0.189192E-03    0.980429E+00
  38   -0.111455E-05    0.253408E+03  0.439822E-08 0.189192E-03    0.982419E+00
  39   -0.275675E-05    0.245470E+03  0.112305E-07 0.189192E-03    0.980125E+00
  40    0.259339E-06    0.240388E+03 -0.107884E-08 0.189192E-03    0.935308E+00
  41    0.656731E-06    0.233474E+03 -0.281286E-08 0.189192E-03    0.963971E+00
  42   -0.361031E-06    0.228254E+03  0.158171E-08 0.189192E-03    0.966085E+00
  43    0.482876E-06    0.226330E+03 -0.213350E-08 0.189192E-03    0.978692E+00
  44    0.392388E-06    0.213504E+03 -0.183785E-08 0.189192E-03    0.993619E+00
  45   -0.108241E-05    0.211434E+03  0.511938E-08 0.189192E-03    0.969854E+00
  46    0.834845E-06    0.209883E+03 -0.397767E-08 0.189192E-03    0.981204E+00
  47   -0.356096E-05    0.202782E+03  0.175605E-07 0.189192E-03    0.977586E+00
  48   -0.903683E-06    0.199041E+03  0.454017E-08 0.189192E-03    0.985553E+00
  49    0.161992E-05    0.195094E+03 -0.830331E-08 0.213856E-03    0.975637E+00
  50   -0.172284E-05    0.191816E+03  0.898176E-08 0.189192E-03    0.979795E+00
  51   -0.151170E-05    0.186530E+03  0.810434E-08 0.189192E-03    0.978044E+00
  52    0.295798E-06    0.179502E+03 -0.164788E-08 0.189192E-03    0.983452E+00
  53   -0.176689E-05    0.170758E+03  0.103473E-07 0.189192E-03    0.978214E+00
  54   -0.243783E-06    0.168080E+03  0.145039E-08 0.189192E-03    0.957755E+00
  55    0.328187E-05    0.165871E+03 -0.197856E-07 0.189192E-03    0.978595E+00
  56   -0.128213E-05    0.160780E+03  0.797443E-08 0.189192E-03    0.980318E+00
  57    0.616841E-06    0.154346E+03 -0.399647E-08 0.189192E-03    0.980526E+00
  58   -0.272521E-05    0.151102E+03  0.180356E-07 0.189192E-03    0.979936E+00
  59    0.137253E-05    0.147976E+03 -0.927533E-08 0.213856E-03    0.973490E+00
  60   -0.225975E-05    0.142110E+03  0.159014E-07 0.189192E-03    0.974081E+00
  61   -0.190234E-05    0.136836E+03  0.139024E-07 0.189192E-03    0.978220E+00
  62   -0.653454E-05    0.134369E+03  0.486312E-07 0.189192E-03    0.978467E+00
  63   -0.405301E-05    0.131042E+03  0.309292E-07 0.189192E-03    0.978503E+00
  64   -0.524057E-06    0.127739E+03  0.410255E-08 0.189192E-03    0.974867E+00
  65    0.987649E-06    0.125423E+03 -0.787454E-08 0.189192E-03    0.980620E+00
  66    0.406487E-05    0.123833E+03 -0.328255E-07 0.189192E-03    0.977215E+00
  67    0.429409E-06    0.119471E+03 -0.359425E-08 0.189192E-03    0.982343E+00
  68   -0.982977E-06    0.118102E+03  0.832315E-08 0.189192E-03    0.975770E+00
  69    0.797069E-06    0.116028E+03 -0.686962E-08 0.189192E-03    0.987348E+00
  70   -0.761438E-06    0.113161E+03  0.672880E-08 0.189192E-03    0.954455E+00
  71   -0.180439E-06    0.110687E+03  0.163018E-08 0.189192E-03    0.979193E+00
  72    0.449686E-05    0.105922E+03 -0.424546E-07 0.213856E-03    0.975754E+00
  73    0.646792E-06    0.102901E+03 -0.628556E-08 0.189192E-03    0.956952E+00
  74    0.585288E-05    0.100872E+03 -0.580229E-07 0.189192E-03    0.975669E+00
  75   -0.243522E-05    0.971565E+02  0.250650E-07 0.189192E-03    0.970530E+00
  76   -0.424272E-05    0.949732E+02  0.446728E-07 0.189192E-03    0.974406E+00
  77   -0.339596E-07    0.919145E+02  0.369470E-09 0.213856E-03    0.934139E+00
  78   -0.741242E-05    0.901804E+02  0.821955E-07 0.189192E-03    0.973149E+00
  79    0.100865E-04    0.872259E+02 -0.115637E-06 0.189192E-03    0.975572E+00
  80   -0.148022E-05    0.844221E+02  0.175335E-07 0.189192E-03    0.970714E+00
  81   -0.216715E-05    0.809893E+02  0.267585E-07 0.189192E-03    0.971878E+00
  82   -0.323420E-05    0.789735E+02  0.409529E-07 0.189192E-03    0.971391E+00
  83    0.592635E-05    0.786644E+02 -0.753371E-07 0.213856E-03    0.979033E+00
  84   -0.252220E-05    0.732622E+02  0.344271E-07 0.189192E-03    0.972438E+00
  85    0.660439E-05    0.710550E+02 -0.929476E-07 0.213856E-03    0.976330E+00
  86    0.776666E-05    0.701372E+02 -0.110735E-06 0.189192E-03    0.972823E+00
  87   -0.378126E-05    0.673350E+02  0.561559E-07 0.189192E-03    0.979562E+00
  88   -0.487962E-06    0.639906E+02  0.762552E-08 0.189192E-03    0.959387E+00
  89    0.688685E-05    0.624876E+02 -0.110212E-06 0.189192E-03    0.974350E+00
  90   -0.281932E-05    0.596414E+02  0.472711E-07 0.189192E-03    0.972164E+00
  91    0.109590E-05    0.583092E+02 -0.187947E-07 0.189192E-03    0.983797E+00
  92    0.536639E-05    0.558846E+02 -0.960262E-07 0.189192E-03    0.968839E+00
  93   -0.108017E-04    0.536854E+02  0.201204E-06 0.189192E-03    0.973980E+00
  94   -0.329618E-05    0.524783E+02  0.628103E-07 0.189192E-03    0.970444E+00
  95    0.111774E-04    0.502376E+02 -0.222490E-06 0.213856E-03    0.974998E+00
  96    0.316621E-05    0.480834E+02 -0.658483E-07 0.189192E-03    0.975624E+00
  97    0.511039E-05    0.440338E+02 -0.116056E-06 0.189192E-03    0.971637E+00
  98   -0.433916E-05    0.395263E+02  0.109779E-06 0.189192E-03    0.974399E+00
  99   -0.405194E-05    0.381749E+02  0.106141E-06 0.189192E-03    0.965492E+00
 100    0.106828E-04    0.359393E+02 -0.297246E-06 0.189192E-03    0.974867E+00
 101    0.243314E-04    0.343124E+02 -0.709114E-06 0.189192E-03    0.969907E+00
 102   -0.122396E-04    0.304193E+02  0.402363E-06 0.189192E-03    0.974702E+00
 103   -0.843136E-05    0.290940E+02  0.289798E-06 0.213856E-03    0.971625E+00
 104   -0.131744E-04    0.286707E+02  0.459507E-06 0.189192E-03    0.973302E+00
 105    0.154217E-05    0.239421E+02 -0.644125E-07 0.189192E-03    0.933226E+00
 106    0.288887E-05    0.218422E+02 -0.132261E-06 0.189192E-03    0.979799E+00
 107   -0.223796E-04    0.198463E+02  0.112765E-05 0.213856E-03    0.968905E+00
 108   -0.389879E-04    0.162168E+02  0.240417E-05 0.189192E-03    0.974166E+00
 109    0.229372E-04    0.140886E+02 -0.162806E-05 0.189192E-03    0.972820E+00
 110    0.314617E-05    0.130515E+02 -0.241058E-06 0.189192E-03    0.956163E+00
 111    0.240864E-04    0.120768E+02 -0.199444E-05 0.189192E-03    0.965326E+00
 112   -0.177529E-04    0.923989E+01  0.192133E-05 0.189192E-03    0.975711E+00
 113   -0.545590E-04    0.745802E+01  0.731549E-05 0.189192E-03    0.971502E+00
 114    0.598000E-01    0.460613E+01  0.400000E-03 0.400000E-03    0.496022E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1298050209E-01

 Beginning of optimization cycle   11.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4026862222
 potential> RMS force:                                               0.0057734159   |gradient|=.6164321374E-01
 Eigenvalues of the Hessian matrix:
   714.26352    668.82020    620.94651    601.33985    589.20325    561.96156 
   558.25560    476.90720    472.23879    464.51168    441.88842    432.72926 
   419.70304    404.76472    398.67532    387.85816    366.97560    364.90995 
   353.67995    347.15664    325.70776    323.68920    319.12572    314.85625 
   305.42301    287.26722    280.18135    272.22702    265.98375    261.63236 
   257.76417    253.40624    245.45337    240.37759    233.48047    228.25664 
   226.31250    213.49198    211.42665    209.88846    202.78267    199.03601 
   195.09541    191.81266    186.53287    179.48763    170.75554    168.08220 
   165.86981    160.77916    154.33839    151.10150    147.98264    142.11615 
   136.83660    134.37198    131.04171    127.73891    125.42619    123.84200 
   119.46991    118.09897    116.03209    113.15712    110.68370    105.91767 
   102.89950    100.86825     97.15844     94.97380     91.90728     90.18420 
    87.23494     84.42185     80.98701     78.97334     78.66665     73.25995 
    71.05828     70.12929     67.33892     63.98383     62.48694     59.64206 
    58.31183     55.88359     53.68620     52.47596     50.23864     48.08256 
    44.03000     39.52983     38.16795     35.94311     34.31506     30.40916 
    29.09265     28.67116     23.93620     21.84237     19.84054     16.22302 
    14.08542     13.04658     12.07326      9.24186      7.46029      4.61012 
overlap for current and previous eigenvector    109 is         0.9999910864
overlap for current and previous eigenvector    110 is         0.9999931013
overlap for current and previous eigenvector    111 is         0.9999947130
overlap for current and previous eigenvector    112 is        -0.9999996286
overlap for current and previous eigenvector    113 is         0.9999992133
overlap for current and previous eigenvector    114 is        -0.9999989233
J1,K1,R1,R2,RAT=   7   7   -0.5206187117E-02     2.005043300        0.9947938129    
FOB,PFOB,DIAG,PSTEP=    0.3116077445E-06    0.3099937277E-06     714.2635232       -0.4340400519E-09
J1,K1,R1,R2,RAT=   8   8    0.4295464112E-01     1.956978397        0.9569783968    
FOB,PFOB,DIAG,PSTEP=   -0.1514449011E-06   -0.1582423731E-06     668.8202028        0.2366071938E-09
J1,K1,R1,R2,RAT=   9   9   -0.2733754624E-01     2.027231986        0.9726624538    
FOB,PFOB,DIAG,PSTEP=    0.2207868172E-06    0.2149113579E-06     620.9465051       -0.3461211228E-09
J1,K1,R1,R2,RAT=  10  10   -0.9651175481E-02     2.009553034        0.9903488245    
FOB,PFOB,DIAG,PSTEP=    0.8047878702E-06    0.7970945929E-06     601.3398491       -0.1325596017E-08
J1,K1,R1,R2,RAT=  11  11   -0.5957587606E-02     2.005921818        0.9940424124    
FOB,PFOB,DIAG,PSTEP=   -0.7088426815E-06   -0.7046446243E-06     589.2032465        0.1195949328E-08
J1,K1,R1,R2,RAT= 109 109   -0.2628015364E-01     2.026736462        0.9737198464    
FOB,PFOB,DIAG,PSTEP=    0.2353981902E-04    0.2293716432E-04     14.08541664       -0.1628062051E-05
J1,K1,R1,R2,RAT= 110 110   -0.4329153803E-01     2.044049757        0.9567084620    
FOB,PFOB,DIAG,PSTEP=    0.3282320539E-05    0.3146169633E-05     13.04658157       -0.2410575771E-06
J1,K1,R1,R2,RAT= 111 111   -0.3371901206E-01     2.034305187        0.9662809879    
FOB,PFOB,DIAG,PSTEP=    0.2489837385E-04    0.2408644083E-04     12.07326177       -0.1994438946E-05
J1,K1,R1,R2,RAT= 112 112     2.022873404       -0.2329853439E-01    0.9767014656    
FOB,PFOB,DIAG,PSTEP=    0.1816658311E-04   -0.1775287911E-04     9.241856275        0.1921329766E-05
J1,K1,R1,R2,RAT= 113 113   -0.2756830547E-01     2.026958839        0.9724316945    
FOB,PFOB,DIAG,PSTEP=   -0.5606359006E-04   -0.5455903152E-04     7.460290589        0.7315487501E-05
J1,K1,R1,R2,RAT= 114 114    -65.85678831        0.9995073571        0.4926428639E-03
FOB,PFOB,DIAG,PSTEP=   -0.6164313995E-01    0.5979999949E-01     4.610122303        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00001     -0.00000      0.00000      0.00000      0.00001 
     0.00001     -0.00000      0.00000     -0.00000     -0.00001      0.00000 
    -0.00001      0.00001      0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00001     -0.00001     -0.00000      0.00001     -0.00000 
     0.00001     -0.00000      0.00000      0.00001     -0.00003     -0.00001 
    -0.00001      0.00001      0.00000      0.00000     -0.00002     -0.00004 
     0.00002      0.00000      0.00002      0.00002     -0.00006     -0.06164 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4305770623
 Log product of positive Hessian eigenvalues =          520.5244022937
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6101223029
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000013
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000028
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000068
 Unscaled step for mode   15=       -0.0000000024
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000004
 Unscaled step for mode   18=       -0.0000000035
 Unscaled step for mode   19=       -0.0000000061
 Unscaled step for mode   20=       -0.0000000106
 Unscaled step for mode   21=       -0.0000000040
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000032
 Unscaled step for mode   25=        0.0000000084
 Unscaled step for mode   26=       -0.0000000115
 Unscaled step for mode   27=       -0.0000000088
 Unscaled step for mode   28=       -0.0000000076
 Unscaled step for mode   29=        0.0000000048
 Unscaled step for mode   30=        0.0000000061
 Unscaled step for mode   31=        0.0000000005
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000051
 Unscaled step for mode   34=       -0.0000000026
 Unscaled step for mode   35=       -0.0000000152
 Unscaled step for mode   36=       -0.0000000016
 Unscaled step for mode   37=        0.0000000063
 Unscaled step for mode   38=        0.0000000045
 Unscaled step for mode   39=        0.0000000115
 Unscaled step for mode   40=       -0.0000000011
 Unscaled step for mode   41=       -0.0000000029
 Unscaled step for mode   42=        0.0000000016
 Unscaled step for mode   43=       -0.0000000022
 Unscaled step for mode   44=       -0.0000000018
 Unscaled step for mode   45=        0.0000000053
 Unscaled step for mode   46=       -0.0000000041
 Unscaled step for mode   47=        0.0000000179
 Unscaled step for mode   48=        0.0000000046
 Unscaled step for mode   49=       -0.0000000085
 Unscaled step for mode   50=        0.0000000092
 Unscaled step for mode   51=        0.0000000083
 Unscaled step for mode   52=       -0.0000000017
 Unscaled step for mode   53=        0.0000000106
 Unscaled step for mode   54=        0.0000000015
 Unscaled step for mode   55=        0.0000000202
 Unscaled step for mode   56=       -0.0000000081
 Unscaled step for mode   57=        0.0000000041
 Unscaled step for mode   58=        0.0000000184
 Unscaled step for mode   59=       -0.0000000095
 Unscaled step for mode   60=       -0.0000000163
 Unscaled step for mode   61=        0.0000000142
 Unscaled step for mode   62=        0.0000000497
 Unscaled step for mode   63=       -0.0000000316
 Unscaled step for mode   64=       -0.0000000042
 Unscaled step for mode   65=       -0.0000000080
 Unscaled step for mode   66=       -0.0000000336
 Unscaled step for mode   67=       -0.0000000037
 Unscaled step for mode   68=       -0.0000000085
 Unscaled step for mode   69=       -0.0000000070
 Unscaled step for mode   70=       -0.0000000070
 Unscaled step for mode   71=       -0.0000000017
 Unscaled step for mode   72=       -0.0000000435
 Unscaled step for mode   73=       -0.0000000066
 Unscaled step for mode   74=        0.0000000594
 Unscaled step for mode   75=        0.0000000258
 Unscaled step for mode   76=       -0.0000000458
 Unscaled step for mode   77=       -0.0000000003
 Unscaled step for mode   78=       -0.0000000844
 Unscaled step for mode   79=       -0.0000001184
 Unscaled step for mode   80=        0.0000000180
 Unscaled step for mode   81=       -0.0000000275
 Unscaled step for mode   82=        0.0000000421
 Unscaled step for mode   83=        0.0000000769
 Unscaled step for mode   84=       -0.0000000354
 Unscaled step for mode   85=        0.0000000951
 Unscaled step for mode   86=       -0.0000001137
 Unscaled step for mode   87=       -0.0000000573
 Unscaled step for mode   88=        0.0000000079
 Unscaled step for mode   89=       -0.0000001130
 Unscaled step for mode   90=       -0.0000000486
 Unscaled step for mode   91=       -0.0000000191
 Unscaled step for mode   92=       -0.0000000990
 Unscaled step for mode   93=        0.0000002063
 Unscaled step for mode   94=        0.0000000646
 Unscaled step for mode   95=       -0.0000002279
 Unscaled step for mode   96=        0.0000000674
 Unscaled step for mode   97=       -0.0000001193
 Unscaled step for mode   98=        0.0000001125
 Unscaled step for mode   99=       -0.0000001097
 Unscaled step for mode  100=       -0.0000003045
 Unscaled step for mode  101=        0.0000007298
 Unscaled step for mode  102=        0.0000004124
 Unscaled step for mode  103=        0.0000002978
 Unscaled step for mode  104=       -0.0000004714
 Unscaled step for mode  105=       -0.0000000686
 Unscaled step for mode  106=       -0.0000001348
 Unscaled step for mode  107=        0.0000011621
 Unscaled step for mode  108=        0.0000024632
 Unscaled step for mode  109=       -0.0000016712
 Unscaled step for mode  110=       -0.0000002516
 Unscaled step for mode  111=       -0.0000020623
 Unscaled step for mode  112=       -0.0000019657
 Unscaled step for mode  113=        0.0000075149
 Unscaled step for mode  114=       -0.0133688693
 Largest modulus ratio of non-zero e/values=           154.9337471    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.319352E-15    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.251698E-15    0.100786E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.156109E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.407931E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.663532E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.165686E-15    0.973410E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.311608E-06    0.714264E+03 -0.436264E-09 0.170443E-03    0.994794E+00
   8   -0.151445E-06    0.668820E+03  0.226436E-09 0.170443E-03    0.956978E+00
   9    0.220787E-06    0.620947E+03 -0.355565E-09 0.170443E-03    0.972662E+00
  10    0.804788E-06    0.601340E+03 -0.133832E-08 0.170443E-03    0.990349E+00
  11   -0.708843E-06    0.589203E+03  0.120305E-08 0.170443E-03    0.994042E+00
  12    0.155521E-05    0.561962E+03 -0.276747E-08 0.170443E-03    0.990096E+00
  13    0.180175E-05    0.558256E+03 -0.322746E-08 0.170443E-03    0.994275E+00
  14   -0.325136E-05    0.476907E+03  0.681760E-08 0.192663E-03    0.989554E+00
  15    0.111177E-05    0.472239E+03 -0.235426E-08 0.170443E-03    0.991746E+00
  16    0.288678E-06    0.464512E+03 -0.621466E-09 0.170443E-03    0.981507E+00
  17    0.185087E-06    0.441888E+03 -0.418854E-09 0.192663E-03    0.971229E+00
  18    0.152567E-05    0.432729E+03 -0.352569E-08 0.170443E-03    0.987522E+00
  19    0.254407E-05    0.419703E+03 -0.606158E-08 0.170443E-03    0.985167E+00
  20    0.427179E-05    0.404765E+03 -0.105538E-07 0.170443E-03    0.988528E+00
  21    0.160451E-05    0.398675E+03 -0.402460E-08 0.170443E-03    0.981995E+00
  22   -0.927727E-06    0.387858E+03  0.239192E-08 0.170443E-03    0.995898E+00
  23   -0.156595E-05    0.366976E+03  0.426717E-08 0.170443E-03    0.991866E+00
  24    0.117328E-05    0.364910E+03 -0.321525E-08 0.170443E-03    0.988542E+00
  25   -0.298070E-05    0.353680E+03  0.842767E-08 0.170443E-03    0.984144E+00
  26    0.399932E-05    0.347157E+03 -0.115202E-07 0.170443E-03    0.982817E+00
  27    0.286909E-05    0.325708E+03 -0.880878E-08 0.170443E-03    0.983227E+00
  28    0.244932E-05    0.323689E+03 -0.756688E-08 0.170443E-03    0.985028E+00
  29   -0.152353E-05    0.319126E+03  0.477408E-08 0.170443E-03    0.974465E+00
  30   -0.192821E-05    0.314856E+03  0.612411E-08 0.170443E-03    0.986649E+00
  31   -0.146138E-06    0.305423E+03  0.478478E-09 0.192663E-03    0.931541E+00
  32    0.445207E-06    0.287267E+03 -0.154980E-08 0.170443E-03    0.996799E+00
  33    0.143307E-05    0.280181E+03 -0.511478E-08 0.170443E-03    0.982191E+00
  34    0.698277E-06    0.272227E+03 -0.256506E-08 0.192663E-03    0.987339E+00
  35    0.404898E-05    0.265984E+03 -0.152227E-07 0.170443E-03    0.981045E+00
  36    0.413705E-06    0.261632E+03 -0.158125E-08 0.170443E-03    0.981424E+00
  37   -0.163335E-05    0.257764E+03  0.633659E-08 0.170443E-03    0.980713E+00
  38   -0.113381E-05    0.253406E+03  0.447426E-08 0.170443E-03    0.982719E+00
  39   -0.281073E-05    0.245453E+03  0.114512E-07 0.170443E-03    0.980416E+00
  40    0.275542E-06    0.240378E+03 -0.114629E-08 0.170443E-03    0.937517E+00
  41    0.679994E-06    0.233480E+03 -0.291242E-08 0.170443E-03    0.964578E+00
  42   -0.373066E-06    0.228257E+03  0.163441E-08 0.170443E-03    0.966666E+00
  43    0.493023E-06    0.226313E+03 -0.217850E-08 0.170443E-03    0.978985E+00
  44    0.389421E-06    0.213492E+03 -0.182406E-08 0.170443E-03    0.992438E+00
  45   -0.111442E-05    0.211427E+03  0.527096E-08 0.170443E-03    0.970426E+00
  46    0.850493E-06    0.209888E+03 -0.405212E-08 0.170443E-03    0.981256E+00
  47   -0.363949E-05    0.202783E+03  0.179478E-07 0.170443E-03    0.977946E+00
  48   -0.916334E-06    0.199036E+03  0.460386E-08 0.170443E-03    0.985999E+00
  49    0.165879E-05    0.195095E+03 -0.850247E-08 0.192663E-03    0.976006E+00
  50   -0.175702E-05    0.191813E+03  0.916007E-08 0.170443E-03    0.980163E+00
  51   -0.154429E-05    0.186533E+03  0.827894E-08 0.170443E-03    0.978442E+00
  52    0.300563E-06    0.179488E+03 -0.167456E-08 0.170443E-03    0.983891E+00
  53   -0.180464E-05    0.170756E+03  0.105685E-07 0.170443E-03    0.978637E+00
  54   -0.253920E-06    0.168082E+03  0.151069E-08 0.170443E-03    0.958416E+00
  55   -0.335077E-05    0.165870E+03  0.202012E-07 0.170443E-03    0.979005E+00
  56    0.130686E-05    0.160779E+03 -0.812829E-08 0.170443E-03    0.980712E+00
  57   -0.628588E-06    0.154338E+03  0.407279E-08 0.170443E-03    0.980956E+00
  58   -0.277876E-05    0.151102E+03  0.183900E-07 0.170443E-03    0.980352E+00
  59    0.140822E-05    0.147983E+03 -0.951610E-08 0.192663E-03    0.974000E+00
  60    0.231716E-05    0.142116E+03 -0.163047E-07 0.170443E-03    0.974596E+00
  61   -0.194294E-05    0.136837E+03  0.141990E-07 0.170443E-03    0.978659E+00
  62   -0.667221E-05    0.134372E+03  0.496548E-07 0.170443E-03    0.978932E+00
  63    0.413827E-05    0.131042E+03 -0.315798E-07 0.170443E-03    0.978964E+00
  64    0.537007E-06    0.127739E+03 -0.420394E-08 0.170443E-03    0.975289E+00
  65    0.100623E-05    0.125426E+03 -0.802250E-08 0.170443E-03    0.981185E+00
  66    0.415554E-05    0.123842E+03 -0.335552E-07 0.170443E-03    0.977696E+00
  67    0.436799E-06    0.119470E+03 -0.365614E-08 0.170443E-03    0.982790E+00
  68    0.100631E-05    0.118099E+03 -0.852088E-08 0.170443E-03    0.976266E+00
  69    0.806680E-06    0.116032E+03 -0.695221E-08 0.170443E-03    0.987943E+00
  70    0.795270E-06    0.113157E+03 -0.702801E-08 0.170443E-03    0.955567E+00
  71    0.184068E-06    0.110684E+03 -0.166301E-08 0.170443E-03    0.979888E+00
  72    0.460355E-05    0.105918E+03 -0.434635E-07 0.192663E-03    0.976273E+00
  73    0.674104E-06    0.102900E+03 -0.655109E-08 0.170443E-03    0.957772E+00
  74   -0.599208E-05    0.100868E+03  0.594050E-07 0.170443E-03    0.976217E+00
  75   -0.250560E-05    0.971584E+02  0.257888E-07 0.170443E-03    0.971100E+00
  76    0.434895E-05    0.949738E+02 -0.457911E-07 0.170443E-03    0.974961E+00
  77    0.314493E-07    0.919073E+02 -0.342185E-09 0.192663E-03    0.926072E+00
  78    0.760715E-05    0.901842E+02 -0.843512E-07 0.170443E-03    0.973731E+00
  79    0.103268E-04    0.872349E+02 -0.118379E-06 0.170443E-03    0.976179E+00
  80   -0.152271E-05    0.844219E+02  0.180369E-07 0.170443E-03    0.971295E+00
  81    0.222673E-05    0.809870E+02 -0.274949E-07 0.170443E-03    0.972508E+00
  82   -0.332531E-05    0.789733E+02  0.421067E-07 0.170443E-03    0.971829E+00
  83   -0.604642E-05    0.786666E+02  0.768613E-07 0.192663E-03    0.979740E+00
  84    0.259013E-05    0.732600E+02 -0.353553E-07 0.170443E-03    0.973068E+00
  85   -0.675682E-05    0.710583E+02  0.950884E-07 0.192663E-03    0.976921E+00
  86    0.797234E-05    0.701293E+02 -0.113681E-06 0.170443E-03    0.973514E+00
  87    0.385594E-05    0.673389E+02 -0.572617E-07 0.170443E-03    0.980250E+00
  88   -0.507070E-06    0.639838E+02  0.792497E-08 0.170443E-03    0.960837E+00
  89    0.705897E-05    0.624869E+02 -0.112967E-06 0.170443E-03    0.975007E+00
  90    0.289586E-05    0.596421E+02 -0.485540E-07 0.170443E-03    0.972850E+00
  91    0.111287E-05    0.583118E+02 -0.190847E-07 0.170443E-03    0.984523E+00
  92    0.552981E-05    0.558836E+02 -0.989524E-07 0.170443E-03    0.969546E+00
  93   -0.110750E-04    0.536862E+02  0.206292E-06 0.170443E-03    0.974698E+00
  94   -0.339129E-05    0.524760E+02  0.646256E-07 0.170443E-03    0.971144E+00
  95    0.114487E-04    0.502386E+02 -0.227886E-06 0.192663E-03    0.975726E+00
  96   -0.324109E-05    0.480826E+02  0.674068E-07 0.170443E-03    0.976349E+00
  97    0.525145E-05    0.440300E+02 -0.119270E-06 0.170443E-03    0.972396E+00
  98   -0.444704E-05    0.395298E+02  0.112498E-06 0.170443E-03    0.975141E+00
  99    0.418844E-05    0.381679E+02 -0.109737E-06 0.170443E-03    0.966306E+00
 100    0.109433E-04    0.359431E+02 -0.304463E-06 0.170443E-03    0.975618E+00
 101   -0.250434E-04    0.343151E+02  0.729807E-06 0.170443E-03    0.970741E+00
 102   -0.125393E-04    0.304092E+02  0.412354E-06 0.170443E-03    0.975505E+00
 103   -0.866373E-05    0.290927E+02  0.297798E-06 0.192663E-03    0.972439E+00
 104    0.135152E-04    0.286712E+02 -0.471386E-06 0.170443E-03    0.974132E+00
 105    0.164139E-05    0.239362E+02 -0.685737E-07 0.170443E-03    0.935642E+00
 106    0.294436E-05    0.218424E+02 -0.134800E-06 0.170443E-03    0.980792E+00
 107   -0.230558E-04    0.198405E+02  0.116205E-05 0.192663E-03    0.969778E+00
 108   -0.399601E-04    0.162230E+02  0.246317E-05 0.170443E-03    0.975075E+00
 109    0.235398E-04    0.140854E+02 -0.167122E-05 0.170443E-03    0.973720E+00
 110    0.328232E-05    0.130466E+02 -0.251585E-06 0.170443E-03    0.956708E+00
 111    0.248984E-04    0.120733E+02 -0.206227E-05 0.170443E-03    0.966281E+00
 112    0.181666E-04    0.924186E+01 -0.196569E-05 0.170443E-03    0.976701E+00
 113   -0.560636E-04    0.746029E+01  0.751493E-05 0.170443E-03    0.972432E+00
 114   -0.616431E-01    0.461012E+01 -0.400000E-03 0.400000E-03    0.492643E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1336886933E-01

 Beginning of optimization cycle   12.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4026611964
 potential> RMS force:                                               0.0059461904   |gradient|=.6348794054E-01
 Eigenvalues of the Hessian matrix:
   714.32171    668.84254    620.97914    601.36921    589.21364    561.98739 
   558.29185    476.91861    472.21784    464.49793    441.88296    432.71691 
   419.70961    404.77420    398.67215    387.86526    366.97373    364.89906 
   353.66721    347.11652    325.67282    323.69334    319.12374    314.87853 
   305.42326    287.26690    280.17976    272.21823    265.97980    261.63542 
   257.76027    253.40431    245.43692    240.36748    233.48680    228.25892 
   226.29471    213.48001    211.41941    209.89376    202.78323    199.03062 
   195.09724    191.80976    186.53528    179.47319    170.75293    168.08410 
   165.86838    160.77821    154.33032    151.10064    147.98891    142.12196 
   136.83764    134.37485    131.04184    127.73849    125.42922    123.85126 
   119.46863    118.09642    116.03607    113.15312    110.68038    105.91371 
   102.89783    100.86454     97.16038     94.97443     91.90012     90.18800 
    87.24405     84.42167     80.98475     78.97317     78.66888     73.25774 
    71.06156     70.12135     67.34286     63.97709     62.48628     59.64274 
    58.31451     55.88255     53.68698     52.47364     50.23973     48.08169 
    44.02616     39.53338     38.16094     35.94689     34.31775     30.39903 
    29.09136     28.67162     23.93034     21.84258     19.83484     16.22922 
    14.08221     13.04161     12.06968      9.24382      7.46254      4.61407 
overlap for current and previous eigenvector    109 is        -0.9999910967
overlap for current and previous eigenvector    110 is        -0.9999930402
overlap for current and previous eigenvector    111 is        -0.9999945956
overlap for current and previous eigenvector    112 is        -0.9999996297
overlap for current and previous eigenvector    113 is        -0.9999992168
overlap for current and previous eigenvector    114 is         0.9999989280
J1,K1,R1,R2,RAT=   7   7   -0.4978638876E-02     2.004815737        0.9950213611    
FOB,PFOB,DIAG,PSTEP=    0.3131592533E-06    0.3116077445E-06     714.3217053       -0.4362643959E-09
J1,K1,R1,R2,RAT=   8   8    0.4561850296E-01     1.954314695        0.9543146950    
FOB,PFOB,DIAG,PSTEP=   -0.1445359807E-06   -0.1514449011E-06     668.8425429        0.2264358949E-09
J1,K1,R1,R2,RAT=   9   9   -0.2669212779E-01     2.026587013        0.9733078722    
FOB,PFOB,DIAG,PSTEP=    0.2266803968E-06    0.2207868172E-06     620.9791421       -0.3555649566E-09
J1,K1,R1,R2,RAT=  10  10   -0.9509301458E-02     2.009411667        0.9904906985    
FOB,PFOB,DIAG,PSTEP=    0.8124412142E-06    0.8047878702E-06     601.3692063       -0.1338324529E-08
J1,K1,R1,R2,RAT=  11  11   -0.5856333031E-02     2.005821046        0.9941436670    
FOB,PFOB,DIAG,PSTEP=   -0.7129939736E-06   -0.7088426815E-06     589.2136424        0.1203052912E-08
J1,K1,R1,R2,RAT= 109 109     2.025886253       -0.2543105745E-01    0.9745689426    
FOB,PFOB,DIAG,PSTEP=   -0.2413832529E-04    0.2353981902E-04     14.08221156       -0.1671219221E-05
J1,K1,R1,R2,RAT= 110 110     2.043547526       -0.4278538667E-01    0.9572146133    
FOB,PFOB,DIAG,PSTEP=   -0.3422702397E-05    0.3282320539E-05     13.04161181       -0.2515847176E-06
J1,K1,R1,R2,RAT= 111 111     2.033409127       -0.3281607165E-01    0.9671839283    
FOB,PFOB,DIAG,PSTEP=   -0.2571519846E-04    0.2489837385E-04     12.06968277       -0.2062274002E-05
J1,K1,R1,R2,RAT= 112 112     2.021935502       -0.2236094927E-01    0.9776390507    
FOB,PFOB,DIAG,PSTEP=   -0.1857289158E-04    0.1816658311E-04     9.243822652       -0.1965685526E-05
J1,K1,R1,R2,RAT= 113 113     2.026089012       -0.2669184144E-01    0.9733081586    
FOB,PFOB,DIAG,PSTEP=    0.5756048170E-04   -0.5606359006E-04     7.462539910        0.7514933821E-05
J1,K1,R1,R2,RAT= 114 114    0.9995107374        -67.79860000        0.4892625993E-03
FOB,PFOB,DIAG,PSTEP=   -0.6348786511E-01   -0.6164313995E-01     4.614070389       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00001     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00001 
     0.00001      0.00000      0.00000      0.00000      0.00001      0.00000 
     0.00001     -0.00001      0.00000     -0.00000     -0.00001      0.00000 
    -0.00000      0.00001     -0.00001     -0.00000     -0.00001      0.00000 
    -0.00001     -0.00000      0.00000     -0.00001      0.00003      0.00001 
     0.00001     -0.00001     -0.00000     -0.00000     -0.00002      0.00004 
    -0.00002     -0.00000     -0.00003     -0.00002      0.00006     -0.06349 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4306744962
 Log product of positive Hessian eigenvalues =          520.5240048823
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6140703889
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000028
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000069
 Unscaled step for mode   15=       -0.0000000024
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000004
 Unscaled step for mode   18=       -0.0000000036
 Unscaled step for mode   19=       -0.0000000062
 Unscaled step for mode   20=       -0.0000000107
 Unscaled step for mode   21=       -0.0000000041
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000033
 Unscaled step for mode   25=        0.0000000086
 Unscaled step for mode   26=       -0.0000000117
 Unscaled step for mode   27=       -0.0000000090
 Unscaled step for mode   28=       -0.0000000077
 Unscaled step for mode   29=        0.0000000049
 Unscaled step for mode   30=        0.0000000062
 Unscaled step for mode   31=        0.0000000005
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000052
 Unscaled step for mode   34=       -0.0000000026
 Unscaled step for mode   35=       -0.0000000155
 Unscaled step for mode   36=       -0.0000000016
 Unscaled step for mode   37=        0.0000000065
 Unscaled step for mode   38=        0.0000000046
 Unscaled step for mode   39=        0.0000000117
 Unscaled step for mode   40=       -0.0000000012
 Unscaled step for mode   41=       -0.0000000030
 Unscaled step for mode   42=        0.0000000017
 Unscaled step for mode   43=       -0.0000000022
 Unscaled step for mode   44=       -0.0000000018
 Unscaled step for mode   45=        0.0000000054
 Unscaled step for mode   46=       -0.0000000041
 Unscaled step for mode   47=        0.0000000183
 Unscaled step for mode   48=        0.0000000047
 Unscaled step for mode   49=       -0.0000000087
 Unscaled step for mode   50=        0.0000000093
 Unscaled step for mode   51=        0.0000000085
 Unscaled step for mode   52=       -0.0000000017
 Unscaled step for mode   53=        0.0000000108
 Unscaled step for mode   54=        0.0000000016
 Unscaled step for mode   55=       -0.0000000206
 Unscaled step for mode   56=        0.0000000083
 Unscaled step for mode   57=        0.0000000041
 Unscaled step for mode   58=       -0.0000000187
 Unscaled step for mode   59=        0.0000000098
 Unscaled step for mode   60=        0.0000000167
 Unscaled step for mode   61=        0.0000000145
 Unscaled step for mode   62=        0.0000000507
 Unscaled step for mode   63=        0.0000000322
 Unscaled step for mode   64=        0.0000000043
 Unscaled step for mode   65=        0.0000000082
 Unscaled step for mode   66=        0.0000000343
 Unscaled step for mode   67=       -0.0000000037
 Unscaled step for mode   68=       -0.0000000087
 Unscaled step for mode   69=       -0.0000000070
 Unscaled step for mode   70=        0.0000000073
 Unscaled step for mode   71=       -0.0000000017
 Unscaled step for mode   72=       -0.0000000445
 Unscaled step for mode   73=       -0.0000000068
 Unscaled step for mode   74=        0.0000000608
 Unscaled step for mode   75=       -0.0000000265
 Unscaled step for mode   76=       -0.0000000469
 Unscaled step for mode   77=       -0.0000000003
 Unscaled step for mode   78=       -0.0000000865
 Unscaled step for mode   79=       -0.0000001211
 Unscaled step for mode   80=       -0.0000000185
 Unscaled step for mode   81=       -0.0000000282
 Unscaled step for mode   82=       -0.0000000433
 Unscaled step for mode   83=       -0.0000000784
 Unscaled step for mode   84=       -0.0000000363
 Unscaled step for mode   85=       -0.0000000972
 Unscaled step for mode   86=        0.0000001166
 Unscaled step for mode   87=       -0.0000000584
 Unscaled step for mode   88=        0.0000000082
 Unscaled step for mode   89=        0.0000001157
 Unscaled step for mode   90=       -0.0000000498
 Unscaled step for mode   91=        0.0000000194
 Unscaled step for mode   92=       -0.0000001019
 Unscaled step for mode   93=        0.0000002114
 Unscaled step for mode   94=        0.0000000665
 Unscaled step for mode   95=        0.0000002333
 Unscaled step for mode   96=       -0.0000000690
 Unscaled step for mode   97=        0.0000001225
 Unscaled step for mode   98=        0.0000001152
 Unscaled step for mode   99=       -0.0000001134
 Unscaled step for mode  100=        0.0000003116
 Unscaled step for mode  101=       -0.0000007505
 Unscaled step for mode  102=       -0.0000004223
 Unscaled step for mode  103=       -0.0000003058
 Unscaled step for mode  104=        0.0000004832
 Unscaled step for mode  105=        0.0000000728
 Unscaled step for mode  106=        0.0000001373
 Unscaled step for mode  107=        0.0000011965
 Unscaled step for mode  108=       -0.0000025215
 Unscaled step for mode  109=        0.0000017141
 Unscaled step for mode  110=        0.0000002624
 Unscaled step for mode  111=        0.0000021306
 Unscaled step for mode  112=        0.0000020092
 Unscaled step for mode  113=       -0.0000077133
 Unscaled step for mode  114=       -0.0137570181
 Largest modulus ratio of non-zero e/values=           154.8137859    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.790654E-15    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.104138E-15    0.100786E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.275279E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.131430E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.256305E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.413020E-15    0.973411E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.313159E-06    0.714322E+03 -0.438401E-09 0.153552E-03    0.995021E+00
   8   -0.144536E-06    0.668843E+03  0.216099E-09 0.153552E-03    0.954315E+00
   9    0.226680E-06    0.620979E+03 -0.365037E-09 0.153552E-03    0.973308E+00
  10    0.812441E-06    0.601369E+03 -0.135099E-08 0.153552E-03    0.990491E+00
  11   -0.712994E-06    0.589214E+03  0.121008E-08 0.153552E-03    0.994144E+00
  12    0.157044E-05    0.561987E+03 -0.279443E-08 0.153552E-03    0.990209E+00
  13    0.181182E-05    0.558292E+03 -0.324529E-08 0.153552E-03    0.994414E+00
  14   -0.328481E-05    0.476919E+03  0.688758E-08 0.173571E-03    0.989711E+00
  15    0.112082E-05    0.472218E+03 -0.237353E-08 0.153552E-03    0.991860E+00
  16    0.294000E-06    0.464498E+03 -0.632941E-09 0.153552E-03    0.981565E+00
  17    0.190347E-06    0.441883E+03 -0.430763E-09 0.173571E-03    0.971580E+00
  18    0.154446E-05    0.432717E+03 -0.356922E-08 0.153552E-03    0.987680E+00
  19    0.258137E-05    0.419710E+03 -0.615038E-08 0.153552E-03    0.985336E+00
  20    0.432003E-05    0.404774E+03 -0.106727E-07 0.153552E-03    0.988707E+00
  21    0.163300E-05    0.398672E+03 -0.409610E-08 0.153552E-03    0.982241E+00
  22   -0.931294E-06    0.387865E+03  0.240108E-08 0.153552E-03    0.996155E+00
  23   -0.157838E-05    0.366974E+03  0.430107E-08 0.153552E-03    0.992060E+00
  24    0.118648E-05    0.364899E+03 -0.325152E-08 0.153552E-03    0.988751E+00
  25   -0.302736E-05    0.353667E+03  0.855992E-08 0.153552E-03    0.984343E+00
  26    0.406723E-05    0.347117E+03 -0.117172E-07 0.153552E-03    0.983019E+00
  27    0.291649E-05    0.325673E+03 -0.895527E-08 0.153552E-03    0.983478E+00
  28    0.248542E-05    0.323693E+03 -0.767832E-08 0.153552E-03    0.985259E+00
  29   -0.156199E-05    0.319124E+03  0.489461E-08 0.153552E-03    0.974758E+00
  30   -0.195361E-05    0.314879E+03  0.620432E-08 0.153552E-03    0.986832E+00
  31   -0.155718E-06    0.305423E+03  0.509844E-09 0.173571E-03    0.934445E+00
  32    0.446457E-06    0.287267E+03 -0.155415E-08 0.153552E-03    0.997192E+00
  33    0.145821E-05    0.280180E+03 -0.520456E-08 0.153552E-03    0.982453E+00
  34    0.706996E-06    0.272218E+03 -0.259717E-08 0.173571E-03    0.987514E+00
  35    0.412459E-05    0.265980E+03 -0.155072E-07 0.153552E-03    0.981326E+00
  36    0.421350E-06    0.261635E+03 -0.161045E-08 0.153552E-03    0.981522E+00
  37   -0.166440E-05    0.257760E+03  0.645716E-08 0.153552E-03    0.980987E+00
  38   -0.115307E-05    0.253404E+03  0.455032E-08 0.153552E-03    0.983009E+00
  39   -0.286498E-05    0.245437E+03  0.116730E-07 0.153552E-03    0.980698E+00
  40    0.292195E-06    0.240367E+03 -0.121562E-08 0.153552E-03    0.939562E+00
  41    0.703683E-06    0.233487E+03 -0.301380E-08 0.153552E-03    0.965165E+00
  42   -0.385292E-06    0.228259E+03  0.168796E-08 0.153552E-03    0.967228E+00
  43    0.503243E-06    0.226295E+03 -0.222384E-08 0.153552E-03    0.979268E+00
  44    0.386000E-06    0.213480E+03 -0.180813E-08 0.153552E-03    0.991215E+00
  45   -0.114676E-05    0.211419E+03  0.542409E-08 0.153552E-03    0.970981E+00
  46    0.866404E-06    0.209894E+03 -0.412782E-08 0.153552E-03    0.981293E+00
  47   -0.371849E-05    0.202783E+03  0.183373E-07 0.153552E-03    0.978294E+00
  48   -0.928765E-06    0.199031E+03  0.466645E-08 0.153552E-03    0.986434E+00
  49    0.169800E-05    0.195097E+03 -0.870337E-08 0.173571E-03    0.976362E+00
  50   -0.179125E-05    0.191810E+03  0.933865E-08 0.153552E-03    0.980519E+00
  51   -0.157699E-05    0.186535E+03  0.845413E-08 0.153552E-03    0.978826E+00
  52    0.305277E-06    0.179473E+03 -0.170096E-08 0.153552E-03    0.984316E+00
  53   -0.184245E-05    0.170753E+03  0.107902E-07 0.153552E-03    0.979045E+00
  54   -0.264317E-06    0.168084E+03  0.157253E-08 0.153552E-03    0.959056E+00
  55    0.341979E-05    0.165868E+03 -0.206175E-07 0.153552E-03    0.979400E+00
  56   -0.133157E-05    0.160778E+03  0.828203E-08 0.153552E-03    0.981091E+00
  57   -0.640298E-06    0.154330E+03  0.414888E-08 0.153552E-03    0.981369E+00
  58    0.283225E-05    0.151101E+03 -0.187441E-07 0.153552E-03    0.980751E+00
  59   -0.144414E-05    0.147989E+03  0.975844E-08 0.173571E-03    0.974491E+00
  60   -0.237488E-05    0.142122E+03  0.167102E-07 0.153552E-03    0.975091E+00
  61   -0.198358E-05    0.136838E+03  0.144959E-07 0.153552E-03    0.979080E+00
  62   -0.680981E-05    0.134375E+03  0.506777E-07 0.153552E-03    0.979378E+00
  63   -0.422350E-05    0.131042E+03  0.322301E-07 0.153552E-03    0.979406E+00
  64   -0.550060E-06    0.127738E+03  0.430614E-08 0.153552E-03    0.975692E+00
  65   -0.102462E-05    0.125429E+03  0.816887E-08 0.153552E-03    0.981731E+00
  66   -0.424632E-05    0.123851E+03  0.342857E-07 0.153552E-03    0.978156E+00
  67    0.444130E-06    0.119469E+03 -0.371755E-08 0.153552E-03    0.983215E+00
  68    0.102971E-05    0.118096E+03 -0.871925E-08 0.153552E-03    0.976741E+00
  69    0.815943E-06    0.116036E+03 -0.703181E-08 0.153552E-03    0.988517E+00
  70   -0.829761E-06    0.113153E+03  0.733308E-08 0.153552E-03    0.956628E+00
  71    0.187646E-06    0.110680E+03 -0.169539E-08 0.153552E-03    0.980561E+00
  72    0.471049E-05    0.105914E+03 -0.444748E-07 0.173571E-03    0.976770E+00
  73    0.702038E-06    0.102898E+03 -0.682267E-08 0.153552E-03    0.958561E+00
  74   -0.613144E-05    0.100865E+03  0.607888E-07 0.153552E-03    0.976742E+00
  75    0.257665E-05    0.971604E+02 -0.265196E-07 0.153552E-03    0.971645E+00
  76    0.445554E-05    0.949744E+02 -0.469131E-07 0.153552E-03    0.975491E+00
  77    0.288240E-07    0.919001E+02 -0.313645E-09 0.173571E-03    0.916517E+00
  78    0.780275E-05    0.901880E+02 -0.865165E-07 0.153552E-03    0.974288E+00
  79    0.105668E-04    0.872440E+02 -0.121118E-06 0.153552E-03    0.976759E+00
  80    0.156557E-05    0.844217E+02 -0.185447E-07 0.153552E-03    0.971849E+00
  81    0.228661E-05    0.809847E+02 -0.282350E-07 0.153552E-03    0.973110E+00
  82    0.341763E-05    0.789732E+02 -0.432758E-07 0.153552E-03    0.972237E+00
  83    0.616480E-05    0.786689E+02 -0.783639E-07 0.173571E-03    0.980423E+00
  84    0.265832E-05    0.732577E+02 -0.362873E-07 0.153552E-03    0.973669E+00
  85    0.690897E-05    0.710616E+02 -0.972251E-07 0.173571E-03    0.977484E+00
  86   -0.817822E-05    0.701214E+02  0.116630E-06 0.153552E-03    0.974173E+00
  87    0.392956E-05    0.673429E+02 -0.583516E-07 0.153552E-03    0.980908E+00
  88   -0.526222E-06    0.639771E+02  0.822516E-08 0.153552E-03    0.962227E+00
  89   -0.723098E-05    0.624863E+02  0.115721E-06 0.153552E-03    0.975632E+00
  90    0.297260E-05    0.596427E+02 -0.498400E-07 0.153552E-03    0.973502E+00
  91   -0.112932E-05    0.583145E+02  0.193660E-07 0.153552E-03    0.985217E+00
  92    0.569450E-05    0.558826E+02 -0.101901E-06 0.153552E-03    0.970218E+00
  93   -0.113477E-04    0.536870E+02  0.211367E-06 0.153552E-03    0.975381E+00
  94   -0.348689E-05    0.524736E+02  0.664504E-07 0.153552E-03    0.971808E+00
  95   -0.117187E-04    0.502397E+02  0.233255E-06 0.173571E-03    0.976417E+00
  96    0.331552E-05    0.480817E+02 -0.689559E-07 0.153552E-03    0.977037E+00
  97   -0.539262E-05    0.440262E+02  0.122487E-06 0.153552E-03    0.973116E+00
  98   -0.455447E-05    0.395334E+02  0.115206E-06 0.153552E-03    0.975843E+00
  99    0.432631E-05    0.381609E+02 -0.113370E-06 0.153552E-03    0.967078E+00
 100   -0.112024E-04    0.359469E+02  0.311638E-06 0.153552E-03    0.976327E+00
 101    0.257564E-04    0.343178E+02 -0.750526E-06 0.153552E-03    0.971532E+00
 102    0.128369E-04    0.303990E+02 -0.422279E-06 0.153552E-03    0.976263E+00
 103    0.889583E-05    0.290914E+02 -0.305790E-06 0.173571E-03    0.973208E+00
 104   -0.138542E-04    0.286716E+02  0.483203E-06 0.153552E-03    0.974917E+00
 105   -0.174330E-05    0.239303E+02  0.728491E-07 0.153552E-03    0.937898E+00
 106   -0.299812E-05    0.218426E+02  0.137260E-06 0.153552E-03    0.981741E+00
 107   -0.237333E-04    0.198348E+02  0.119655E-05 0.173571E-03    0.970603E+00
 108    0.409221E-04    0.162292E+02 -0.252151E-05 0.153552E-03    0.975934E+00
 109   -0.241383E-04    0.140822E+02  0.171410E-05 0.153552E-03    0.974569E+00
 110   -0.342270E-05    0.130416E+02  0.262445E-06 0.153552E-03    0.957215E+00
 111   -0.257152E-04    0.120697E+02  0.213056E-05 0.153552E-03    0.967184E+00
 112   -0.185729E-04    0.924382E+01  0.200922E-05 0.153552E-03    0.977639E+00
 113    0.575605E-04    0.746254E+01 -0.771326E-05 0.153552E-03    0.973308E+00
 114   -0.634879E-01    0.461407E+01 -0.400000E-03 0.400000E-03    0.489263E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1375701806E-01

 Beginning of optimization cycle   13.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4026354324
 potential> RMS force:                                               0.0061191118   |gradient|=.6533423572E-01
 Eigenvalues of the Hessian matrix:
   714.37990    668.86483    621.01164    601.39841    589.22390    562.01317 
   558.32814    476.93007    472.19686    464.48421    441.87752    432.70460 
   419.71621    404.78371    398.66899    387.87233    366.97191    364.88817 
   353.65451    347.07638    325.63792    323.69750    319.12173    314.90079 
   305.42350    287.26661    280.17814    272.20948    265.97589    261.63856 
   257.75645    253.40242    245.42047    240.35741    233.49318    228.26122 
   226.27692    213.46811    211.41219    209.89902    202.78381    199.02522 
   195.09913    191.80687    186.53759    179.45874    170.75037    168.08598 
   165.86696    160.77723    154.32227    151.09979    147.99520    142.12775 
   136.83867    134.37774    131.04197    127.73807    125.43225    123.86050 
   119.46736    118.09389    116.04006    113.14906    110.67700    105.90976 
   102.89617    100.86083     97.16231     94.97507     91.89297     90.19181 
    87.25320     84.42150     80.98252     78.97299     78.67110     73.25552 
    71.06484     70.11341     67.34679     63.97036     62.48559     59.64341 
    58.31720     55.88151     53.68773     52.47132     50.24080     48.08082 
    44.02230     39.53692     38.15389     35.95064     34.32051     30.38891 
    29.09006     28.67208     23.92450     21.84280     19.82920     16.23538 
    14.07902     13.03662     12.06606      9.24579      7.46477      4.61798 
overlap for current and previous eigenvector    109 is        -0.9999911088
overlap for current and previous eigenvector    110 is         0.9999929783
overlap for current and previous eigenvector    111 is         0.9999944758
overlap for current and previous eigenvector    112 is         0.9999996308
overlap for current and previous eigenvector    113 is        -0.9999992202
overlap for current and previous eigenvector    114 is         0.9999989327
J1,K1,R1,R2,RAT=   7   7   -0.4752364474E-02     2.004589448        0.9952476355    
FOB,PFOB,DIAG,PSTEP=    0.3146476214E-06    0.3131592533E-06     714.3798973       -0.4384008647E-09
J1,K1,R1,R2,RAT=   8   8    0.4856548957E-01     1.951367869        0.9513678690    
FOB,PFOB,DIAG,PSTEP=   -0.1375162861E-06   -0.1445359807E-06     668.8648299        0.2160986652E-09
J1,K1,R1,R2,RAT=   9   9   -0.2607386058E-01     2.025969191        0.9739261394    
FOB,PFOB,DIAG,PSTEP=    0.2325911392E-06    0.2266803968E-06     621.0116427       -0.3650370543E-09
J1,K1,R1,R2,RAT=  10  10   -0.9369654355E-02     2.009272525        0.9906303456    
FOB,PFOB,DIAG,PSTEP=    0.8200538773E-06    0.8124412142E-06     601.3984129       -0.1350985727E-08
J1,K1,R1,R2,RAT=  11  11   -0.5756864509E-02     2.005722057        0.9942431355    
FOB,PFOB,DIAG,PSTEP=   -0.7170986547E-06   -0.7129939736E-06     589.2238971        0.1210077164E-08
J1,K1,R1,R2,RAT= 109 109     2.025082452       -0.2462842719E-01    0.9753715728    
FOB,PFOB,DIAG,PSTEP=    0.2473267936E-04   -0.2413832529E-04     14.07901545        0.1714100459E-05
J1,K1,R1,R2,RAT= 110 110   -0.4231433507E-01     2.043080318        0.9576856649    
FOB,PFOB,DIAG,PSTEP=   -0.3567476326E-05   -0.3422702397E-05     13.03661889        0.2624447383E-06
J1,K1,R1,R2,RAT= 111 111   -0.3196037331E-01     2.032560421        0.9680396267    
FOB,PFOB,DIAG,PSTEP=   -0.2653681930E-04   -0.2571519846E-04     12.06606266        0.2130561255E-05
J1,K1,R1,R2,RAT= 112 112   -0.2147125708E-01     2.021045508        0.9785287429    
FOB,PFOB,DIAG,PSTEP=   -0.1897175982E-04   -0.1857289158E-04     9.245790844        0.2009221973E-05
J1,K1,R1,R2,RAT= 113 113     2.025268046       -0.2586429469E-01    0.9741357053    
FOB,PFOB,DIAG,PSTEP=   -0.5904968693E-04    0.5756048170E-04     7.464765339       -0.7713256129E-05
J1,K1,R1,R2,RAT= 114 114    0.9995141183        -69.73941522        0.4858816938E-03
FOB,PFOB,DIAG,PSTEP=   -0.6533415865E-01   -0.6348786511E-01     4.617977630       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00001 
     0.00001     -0.00000     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00001      0.00001     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00001      0.00001     -0.00000     -0.00001      0.00000 
    -0.00001      0.00000      0.00000     -0.00001     -0.00003     -0.00001 
     0.00001      0.00001     -0.00000     -0.00000     -0.00002     -0.00004 
     0.00002     -0.00000     -0.00003     -0.00002     -0.00006     -0.06533 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4307718295
 Log product of positive Hessian eigenvalues =          520.5235912930
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6179776298
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000028
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000070
 Unscaled step for mode   15=       -0.0000000024
 Unscaled step for mode   16=       -0.0000000006
 Unscaled step for mode   17=       -0.0000000004
 Unscaled step for mode   18=       -0.0000000036
 Unscaled step for mode   19=       -0.0000000062
 Unscaled step for mode   20=       -0.0000000108
 Unscaled step for mode   21=       -0.0000000042
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000033
 Unscaled step for mode   25=        0.0000000087
 Unscaled step for mode   26=       -0.0000000119
 Unscaled step for mode   27=       -0.0000000091
 Unscaled step for mode   28=       -0.0000000078
 Unscaled step for mode   29=        0.0000000050
 Unscaled step for mode   30=        0.0000000063
 Unscaled step for mode   31=        0.0000000005
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000053
 Unscaled step for mode   34=       -0.0000000026
 Unscaled step for mode   35=       -0.0000000158
 Unscaled step for mode   36=       -0.0000000016
 Unscaled step for mode   37=        0.0000000066
 Unscaled step for mode   38=        0.0000000046
 Unscaled step for mode   39=        0.0000000119
 Unscaled step for mode   40=       -0.0000000013
 Unscaled step for mode   41=       -0.0000000031
 Unscaled step for mode   42=        0.0000000017
 Unscaled step for mode   43=       -0.0000000023
 Unscaled step for mode   44=       -0.0000000018
 Unscaled step for mode   45=        0.0000000056
 Unscaled step for mode   46=       -0.0000000042
 Unscaled step for mode   47=        0.0000000187
 Unscaled step for mode   48=        0.0000000047
 Unscaled step for mode   49=       -0.0000000089
 Unscaled step for mode   50=        0.0000000095
 Unscaled step for mode   51=        0.0000000086
 Unscaled step for mode   52=       -0.0000000017
 Unscaled step for mode   53=        0.0000000110
 Unscaled step for mode   54=        0.0000000016
 Unscaled step for mode   55=        0.0000000210
 Unscaled step for mode   56=       -0.0000000084
 Unscaled step for mode   57=       -0.0000000042
 Unscaled step for mode   58=        0.0000000191
 Unscaled step for mode   59=       -0.0000000100
 Unscaled step for mode   60=        0.0000000171
 Unscaled step for mode   61=        0.0000000148
 Unscaled step for mode   62=       -0.0000000517
 Unscaled step for mode   63=       -0.0000000329
 Unscaled step for mode   64=       -0.0000000044
 Unscaled step for mode   65=        0.0000000083
 Unscaled step for mode   66=        0.0000000350
 Unscaled step for mode   67=        0.0000000038
 Unscaled step for mode   68=       -0.0000000089
 Unscaled step for mode   69=        0.0000000071
 Unscaled step for mode   70=       -0.0000000076
 Unscaled step for mode   71=        0.0000000017
 Unscaled step for mode   72=        0.0000000455
 Unscaled step for mode   73=        0.0000000071
 Unscaled step for mode   74=       -0.0000000622
 Unscaled step for mode   75=       -0.0000000273
 Unscaled step for mode   76=       -0.0000000480
 Unscaled step for mode   77=        0.0000000003
 Unscaled step for mode   78=       -0.0000000887
 Unscaled step for mode   79=       -0.0000001239
 Unscaled step for mode   80=        0.0000000191
 Unscaled step for mode   81=        0.0000000290
 Unscaled step for mode   82=       -0.0000000445
 Unscaled step for mode   83=        0.0000000798
 Unscaled step for mode   84=        0.0000000372
 Unscaled step for mode   85=        0.0000000994
 Unscaled step for mode   86=       -0.0000001196
 Unscaled step for mode   87=        0.0000000594
 Unscaled step for mode   88=        0.0000000085
 Unscaled step for mode   89=       -0.0000001185
 Unscaled step for mode   90=       -0.0000000511
 Unscaled step for mode   91=       -0.0000000196
 Unscaled step for mode   92=       -0.0000001049
 Unscaled step for mode   93=       -0.0000002164
 Unscaled step for mode   94=        0.0000000683
 Unscaled step for mode   95=        0.0000002386
 Unscaled step for mode   96=       -0.0000000705
 Unscaled step for mode   97=        0.0000001257
 Unscaled step for mode   98=       -0.0000001179
 Unscaled step for mode   99=       -0.0000001170
 Unscaled step for mode  100=        0.0000003188
 Unscaled step for mode  101=        0.0000007713
 Unscaled step for mode  102=        0.0000004321
 Unscaled step for mode  103=       -0.0000003138
 Unscaled step for mode  104=       -0.0000004950
 Unscaled step for mode  105=        0.0000000772
 Unscaled step for mode  106=        0.0000001396
 Unscaled step for mode  107=        0.0000012311
 Unscaled step for mode  108=        0.0000025792
 Unscaled step for mode  109=       -0.0000017567
 Unscaled step for mode  110=        0.0000002737
 Unscaled step for mode  111=        0.0000021993
 Unscaled step for mode  112=        0.0000020519
 Unscaled step for mode  113=        0.0000079105
 Unscaled step for mode  114=       -0.0141449552
 Largest modulus ratio of non-zero e/values=           154.6954001    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.509900E-15    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.571917E-15    0.100786E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.376950E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.153848E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.281137E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.282414E-15    0.973412E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.314648E-06    0.714380E+03 -0.440449E-09 0.138336E-03    0.995248E+00
   8   -0.137516E-06    0.668865E+03  0.205597E-09 0.138336E-03    0.951368E+00
   9    0.232591E-06    0.621012E+03 -0.374536E-09 0.138336E-03    0.973926E+00
  10    0.820054E-06    0.601398E+03 -0.136358E-08 0.138336E-03    0.990630E+00
  11   -0.717099E-06    0.589224E+03  0.121702E-08 0.138336E-03    0.994243E+00
  12    0.158564E-05    0.562013E+03 -0.282136E-08 0.138336E-03    0.990320E+00
  13    0.182169E-05    0.558328E+03 -0.326276E-08 0.138336E-03    0.994551E+00
  14   -0.331811E-05    0.476930E+03  0.695722E-08 0.156370E-03    0.989865E+00
  15    0.112982E-05    0.472197E+03 -0.239269E-08 0.138336E-03    0.991972E+00
  16    0.299402E-06    0.464484E+03 -0.644590E-09 0.138336E-03    0.981625E+00
  17    0.195691E-06    0.441878E+03 -0.442862E-09 0.156370E-03    0.971924E+00
  18    0.156325E-05    0.432705E+03 -0.361274E-08 0.138336E-03    0.987835E+00
  19    0.261880E-05    0.419716E+03 -0.623945E-08 0.138336E-03    0.985502E+00
  20    0.436806E-05    0.404784E+03 -0.107911E-07 0.138336E-03    0.988882E+00
  21    0.166161E-05    0.398669E+03 -0.416789E-08 0.138336E-03    0.982482E+00
  22   -0.934637E-06    0.387872E+03  0.240965E-08 0.138336E-03    0.996410E+00
  23   -0.159061E-05    0.366972E+03  0.433443E-08 0.138336E-03    0.992249E+00
  24    0.119958E-05    0.364888E+03 -0.328752E-08 0.138336E-03    0.988956E+00
  25   -0.307418E-05    0.353655E+03  0.869260E-08 0.138336E-03    0.984537E+00
  26    0.413549E-05    0.347076E+03 -0.119152E-07 0.138336E-03    0.983215E+00
  27    0.296396E-05    0.325638E+03 -0.910200E-08 0.138336E-03    0.983722E+00
  28    0.252150E-05    0.323697E+03 -0.778967E-08 0.138336E-03    0.985486E+00
  29   -0.160097E-05    0.319122E+03  0.501679E-08 0.138336E-03    0.975045E+00
  30   -0.197899E-05    0.314901E+03  0.628449E-08 0.138336E-03    0.987008E+00
  31   -0.165515E-06    0.305424E+03  0.541921E-09 0.156370E-03    0.937085E+00
  32    0.447536E-06    0.287267E+03 -0.155791E-08 0.138336E-03    0.997583E+00
  33    0.148343E-05    0.280178E+03 -0.529458E-08 0.138336E-03    0.982709E+00
  34    0.715705E-06    0.272209E+03 -0.262924E-08 0.156370E-03    0.987682E+00
  35    0.420049E-05    0.265976E+03 -0.157927E-07 0.138336E-03    0.981599E+00
  36    0.429097E-06    0.261639E+03 -0.164004E-08 0.138336E-03    0.981614E+00
  37   -0.169560E-05    0.257756E+03  0.657831E-08 0.138336E-03    0.981253E+00
  38   -0.117234E-05    0.253402E+03  0.462638E-08 0.138336E-03    0.983291E+00
  39   -0.291950E-05    0.245420E+03  0.118959E-07 0.138336E-03    0.980972E+00
  40    0.309300E-06    0.240357E+03 -0.128683E-08 0.138336E-03    0.941459E+00
  41    0.727797E-06    0.233493E+03 -0.311699E-08 0.138336E-03    0.965732E+00
  42   -0.397709E-06    0.228261E+03  0.174234E-08 0.138336E-03    0.967772E+00
  43    0.513539E-06    0.226277E+03 -0.226952E-08 0.138336E-03    0.979539E+00
  44    0.382120E-06    0.213468E+03 -0.179006E-08 0.138336E-03    0.989947E+00
  45   -0.117941E-05    0.211412E+03  0.557874E-08 0.138336E-03    0.971523E+00
  46    0.882594E-06    0.209899E+03 -0.420485E-08 0.138336E-03    0.981315E+00
  47   -0.379795E-05    0.202784E+03  0.187291E-07 0.138336E-03    0.978631E+00
  48   -0.940972E-06    0.199025E+03  0.472791E-08 0.138336E-03    0.986856E+00
  49    0.173756E-05    0.195099E+03 -0.890602E-08 0.156370E-03    0.976706E+00
  50   -0.182552E-05    0.191807E+03  0.951751E-08 0.138336E-03    0.980863E+00
  51   -0.160980E-05    0.186538E+03  0.862989E-08 0.138336E-03    0.979197E+00
  52    0.309939E-06    0.179459E+03 -0.172707E-08 0.138336E-03    0.984728E+00
  53   -0.188034E-05    0.170750E+03  0.110122E-07 0.138336E-03    0.979438E+00
  54   -0.274975E-06    0.168086E+03  0.163592E-08 0.138336E-03    0.959678E+00
  55   -0.348894E-05    0.165867E+03  0.210346E-07 0.138336E-03    0.979780E+00
  56    0.135626E-05    0.160777E+03 -0.843567E-08 0.138336E-03    0.981455E+00
  57    0.651973E-06    0.154322E+03 -0.422475E-08 0.138336E-03    0.981766E+00
  58   -0.288568E-05    0.151100E+03  0.190978E-07 0.138336E-03    0.981135E+00
  59    0.148030E-05    0.147995E+03 -0.100023E-07 0.156370E-03    0.974965E+00
  60   -0.243291E-05    0.142128E+03  0.171178E-07 0.138336E-03    0.975567E+00
  61   -0.202428E-05    0.136839E+03  0.147932E-07 0.138336E-03    0.979484E+00
  62    0.694733E-05    0.134378E+03 -0.517000E-07 0.138336E-03    0.979807E+00
  63    0.430868E-05    0.131042E+03 -0.328802E-07 0.138336E-03    0.979831E+00
  64    0.563219E-06    0.127738E+03 -0.440917E-08 0.138336E-03    0.976077E+00
  65   -0.104279E-05    0.125432E+03  0.831360E-08 0.138336E-03    0.982259E+00
  66   -0.433721E-05    0.123860E+03  0.350169E-07 0.138336E-03    0.978598E+00
  67   -0.451405E-06    0.119467E+03  0.377848E-08 0.138336E-03    0.983620E+00
  68    0.105319E-05    0.118094E+03 -0.891827E-08 0.138336E-03    0.977196E+00
  69   -0.824859E-06    0.116040E+03  0.710840E-08 0.138336E-03    0.989073E+00
  70    0.864907E-06    0.113149E+03 -0.764396E-08 0.138336E-03    0.957642E+00
  71   -0.191171E-06    0.110677E+03  0.172729E-08 0.138336E-03    0.981213E+00
  72   -0.481767E-05    0.105910E+03  0.454884E-07 0.156370E-03    0.977245E+00
  73   -0.730595E-06    0.102896E+03  0.710032E-08 0.138336E-03    0.959321E+00
  74    0.627096E-05    0.100861E+03 -0.621744E-07 0.138336E-03    0.977244E+00
  75    0.264837E-05    0.971623E+02 -0.272572E-07 0.138336E-03    0.972166E+00
  76    0.456248E-05    0.949751E+02 -0.480387E-07 0.138336E-03    0.975998E+00
  77   -0.260854E-07    0.918930E+02  0.283867E-09 0.156370E-03    0.904982E+00
  78    0.799923E-05    0.901918E+02 -0.886913E-07 0.138336E-03    0.974820E+00
  79    0.108066E-04    0.872532E+02 -0.123853E-06 0.138336E-03    0.977315E+00
  80   -0.160882E-05    0.844215E+02  0.190569E-07 0.138336E-03    0.972379E+00
  81   -0.234677E-05    0.809825E+02  0.289788E-07 0.138336E-03    0.973686E+00
  82    0.351121E-05    0.789730E+02 -0.444609E-07 0.138336E-03    0.972617E+00
  83   -0.628142E-05    0.786711E+02  0.798441E-07 0.156370E-03    0.981082E+00
  84   -0.272680E-05    0.732555E+02  0.372231E-07 0.138336E-03    0.974241E+00
  85   -0.706084E-05    0.710648E+02  0.993577E-07 0.156370E-03    0.978019E+00
  86    0.838427E-05    0.701134E+02 -0.119582E-06 0.138336E-03    0.974802E+00
  87   -0.400212E-05    0.673468E+02  0.594255E-07 0.138336E-03    0.981537E+00
  88   -0.545394E-06    0.639704E+02  0.852574E-08 0.138336E-03    0.963561E+00
  89    0.740289E-05    0.624856E+02 -0.118474E-06 0.138336E-03    0.976226E+00
  90    0.304952E-05    0.596434E+02 -0.511291E-07 0.138336E-03    0.974124E+00
  91    0.114526E-05    0.583172E+02 -0.196385E-07 0.138336E-03    0.985882E+00
  92    0.586044E-05    0.558815E+02 -0.104873E-06 0.138336E-03    0.970859E+00
  93    0.116197E-04    0.536877E+02 -0.216431E-06 0.138336E-03    0.976032E+00
  94   -0.358299E-05    0.524713E+02  0.682848E-07 0.138336E-03    0.972439E+00
  95   -0.119873E-04    0.502408E+02  0.238598E-06 0.156370E-03    0.977075E+00
  96    0.338949E-05    0.480808E+02 -0.704956E-07 0.138336E-03    0.977690E+00
  97   -0.553389E-05    0.440223E+02  0.125707E-06 0.138336E-03    0.973800E+00
  98    0.466148E-05    0.395369E+02 -0.117902E-06 0.138336E-03    0.976508E+00
  99    0.446554E-05    0.381539E+02 -0.117040E-06 0.138336E-03    0.967811E+00
 100   -0.114601E-04    0.359506E+02  0.318774E-06 0.138336E-03    0.976999E+00
 101   -0.264703E-04    0.343205E+02  0.771267E-06 0.138336E-03    0.972284E+00
 102   -0.131323E-04    0.303889E+02  0.432140E-06 0.138336E-03    0.976981E+00
 103    0.912767E-05    0.290901E+02 -0.313773E-06 0.156370E-03    0.973938E+00
 104    0.141914E-04    0.286721E+02 -0.494955E-06 0.138336E-03    0.975662E+00
 105   -0.184786E-05    0.239245E+02  0.772371E-07 0.138336E-03    0.940009E+00
 106   -0.305014E-05    0.218428E+02  0.139641E-06 0.138336E-03    0.982648E+00
 107   -0.244123E-04    0.198292E+02  0.123113E-05 0.156370E-03    0.971384E+00
 108   -0.418740E-04    0.162354E+02  0.257918E-05 0.138336E-03    0.976749E+00
 109    0.247327E-04    0.140790E+02 -0.175671E-05 0.138336E-03    0.975372E+00
 110   -0.356748E-05    0.130366E+02  0.273650E-06 0.138336E-03    0.957686E+00
 111   -0.265368E-04    0.120661E+02  0.219929E-05 0.138336E-03    0.968040E+00
 112   -0.189718E-04    0.924579E+01  0.205193E-05 0.138336E-03    0.978529E+00
 113   -0.590497E-04    0.746477E+01  0.791045E-05 0.138336E-03    0.974136E+00
 114   -0.653342E-01    0.461798E+01 -0.400000E-03 0.400000E-03    0.485882E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1414495518E-01

 Beginning of optimization cycle   14.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4026089296
 potential> RMS force:                                               0.0062921786   |gradient|=.6718208294E-01
 Eigenvalues of the Hessian matrix:
   714.43810    668.88706    621.04401    601.42747    589.23401    562.03892 
   558.36445    476.94158    472.17585    464.47052    441.87211    432.69232 
   419.72284    404.79325    398.66582    387.87938    366.97013    364.87728 
   353.64186    347.03623    325.60307    323.70167    319.11969    314.92303 
   305.42372    287.26633    280.17650    272.20075    265.97202    261.64175 
   257.75270    253.40059    245.40401    240.34735    233.49962    228.26355 
   226.25911    213.45629    211.40499    209.90423    202.78441    199.01983 
   195.10106    191.80399    186.53980    179.44427    170.74784    168.08784 
   165.86553    160.77624    154.31424    151.09896    148.00151    142.13352 
   136.83970    134.38066    131.04208    127.73765    125.43529    123.86971 
   119.46611    118.09138    116.04406    113.14494    110.67357    105.90580 
   102.89453    100.85710     97.16420     94.97571     91.88583     90.19564 
    87.26239     84.42135     80.98032     78.97282     78.67331     73.25327 
    71.06811     70.10545     67.35072     63.96366     62.48486     59.64406 
    58.31991     55.88047     53.68845     52.46901     50.24188     48.07996 
    44.01842     39.54045     38.14682     35.95436     34.32333     30.37879 
    29.08877     28.67254     23.91865     21.84303     19.82362     16.24151 
    14.07583     13.03160     12.06240      9.24776      7.46697      4.62184 
overlap for current and previous eigenvector    109 is         0.9999911229
overlap for current and previous eigenvector    110 is         0.9999929154
overlap for current and previous eigenvector    111 is        -0.9999943537
overlap for current and previous eigenvector    112 is         0.9999996319
overlap for current and previous eigenvector    113 is        -0.9999992236
overlap for current and previous eigenvector    114 is        -0.9999989375
J1,K1,R1,R2,RAT=   7   7   -0.4526582445E-02     2.004363652        0.9954734176    
FOB,PFOB,DIAG,PSTEP=    0.3160720159E-06    0.3146476214E-06     714.4380992       -0.4404485941E-09
J1,K1,R1,R2,RAT=   8   8    0.5184675002E-01     1.948086770        0.9480867697    
FOB,PFOB,DIAG,PSTEP=   -0.1303862766E-06   -0.1375162861E-06     668.8870638        0.2055965271E-09
J1,K1,R1,R2,RAT=   9   9   -0.2547937383E-01     2.025375148        0.9745206262    
FOB,PFOB,DIAG,PSTEP=    0.2385177247E-06    0.2325911392E-06     621.0440070       -0.3745358755E-09
J1,K1,R1,R2,RAT=  10  10   -0.9232340706E-02     2.009135715        0.9907676593    
FOB,PFOB,DIAG,PSTEP=    0.8276252599E-06    0.8200538773E-06     601.4274694       -0.1363578386E-08
J1,K1,R1,R2,RAT=  11  11   -0.5659197048E-02     2.005624868        0.9943408030    
FOB,PFOB,DIAG,PSTEP=   -0.7211569269E-06   -0.7170986547E-06     589.2340110        0.1217022355E-08
J1,K1,R1,R2,RAT= 109 109   -0.2386858715E-01     2.024321382        0.9761314128    
FOB,PFOB,DIAG,PSTEP=    0.2532287985E-04    0.2473267936E-04     14.07582871       -0.1756705179E-05
J1,K1,R1,R2,RAT= 110 110   -0.4187422701E-01     2.042643975        0.9581257730    
FOB,PFOB,DIAG,PSTEP=   -0.3716804167E-05   -0.3567476326E-05     13.03160336        0.2736504270E-06
J1,K1,R1,R2,RAT= 111 111     2.031755638       -0.3114848646E-01    0.9688515135    
FOB,PFOB,DIAG,PSTEP=    0.2736315020E-04   -0.2653681930E-04     12.06240081        0.2199294007E-05
J1,K1,R1,R2,RAT= 112 112   -0.2062615613E-01     2.020200119        0.9793738439    
FOB,PFOB,DIAG,PSTEP=   -0.1936315768E-04   -0.1897175982E-04     9.247760787        0.2051934782E-05
J1,K1,R1,R2,RAT= 113 113     2.024492051       -0.2508177354E-01    0.9749182265    
FOB,PFOB,DIAG,PSTEP=    0.6053119465E-04   -0.5904968693E-04     7.466967060        0.7910454548E-05
J1,K1,R1,R2,RAT= 114 114    -71.67926996        0.9995174997        0.4825002678E-03
FOB,PFOB,DIAG,PSTEP=    0.6718200425E-01   -0.6533415865E-01     4.621844048       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00001     -0.00000      0.00000      0.00000     -0.00001 
     0.00001      0.00000     -0.00000      0.00000     -0.00001     -0.00000 
     0.00001      0.00001      0.00000      0.00000      0.00001      0.00000 
     0.00000     -0.00001      0.00001      0.00000      0.00001      0.00000 
    -0.00001      0.00000      0.00000      0.00001     -0.00003     -0.00001 
     0.00001     -0.00001     -0.00000     -0.00000      0.00003     -0.00004 
     0.00003     -0.00000      0.00003     -0.00002      0.00006      0.06718 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4308690564
 Log product of positive Hessian eigenvalues =          520.5231615851
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6218440478
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000028
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000070
 Unscaled step for mode   15=       -0.0000000024
 Unscaled step for mode   16=       -0.0000000007
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000037
 Unscaled step for mode   19=       -0.0000000063
 Unscaled step for mode   20=       -0.0000000109
 Unscaled step for mode   21=       -0.0000000042
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000044
 Unscaled step for mode   24=       -0.0000000033
 Unscaled step for mode   25=        0.0000000088
 Unscaled step for mode   26=       -0.0000000121
 Unscaled step for mode   27=       -0.0000000092
 Unscaled step for mode   28=       -0.0000000079
 Unscaled step for mode   29=        0.0000000051
 Unscaled step for mode   30=        0.0000000064
 Unscaled step for mode   31=        0.0000000006
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000054
 Unscaled step for mode   34=       -0.0000000027
 Unscaled step for mode   35=       -0.0000000161
 Unscaled step for mode   36=       -0.0000000017
 Unscaled step for mode   37=        0.0000000067
 Unscaled step for mode   38=        0.0000000047
 Unscaled step for mode   39=        0.0000000121
 Unscaled step for mode   40=       -0.0000000014
 Unscaled step for mode   41=       -0.0000000032
 Unscaled step for mode   42=        0.0000000018
 Unscaled step for mode   43=       -0.0000000023
 Unscaled step for mode   44=       -0.0000000018
 Unscaled step for mode   45=        0.0000000057
 Unscaled step for mode   46=       -0.0000000043
 Unscaled step for mode   47=        0.0000000191
 Unscaled step for mode   48=        0.0000000048
 Unscaled step for mode   49=       -0.0000000091
 Unscaled step for mode   50=        0.0000000097
 Unscaled step for mode   51=        0.0000000088
 Unscaled step for mode   52=       -0.0000000018
 Unscaled step for mode   53=       -0.0000000112
 Unscaled step for mode   54=        0.0000000017
 Unscaled step for mode   55=       -0.0000000215
 Unscaled step for mode   56=        0.0000000086
 Unscaled step for mode   57=        0.0000000043
 Unscaled step for mode   58=        0.0000000195
 Unscaled step for mode   59=       -0.0000000102
 Unscaled step for mode   60=       -0.0000000175
 Unscaled step for mode   61=        0.0000000151
 Unscaled step for mode   62=        0.0000000527
 Unscaled step for mode   63=       -0.0000000335
 Unscaled step for mode   64=       -0.0000000045
 Unscaled step for mode   65=        0.0000000085
 Unscaled step for mode   66=        0.0000000357
 Unscaled step for mode   67=       -0.0000000038
 Unscaled step for mode   68=       -0.0000000091
 Unscaled step for mode   69=        0.0000000072
 Unscaled step for mode   70=        0.0000000080
 Unscaled step for mode   71=        0.0000000018
 Unscaled step for mode   72=       -0.0000000465
 Unscaled step for mode   73=       -0.0000000074
 Unscaled step for mode   74=        0.0000000636
 Unscaled step for mode   75=        0.0000000280
 Unscaled step for mode   76=       -0.0000000492
 Unscaled step for mode   77=       -0.0000000003
 Unscaled step for mode   78=        0.0000000909
 Unscaled step for mode   79=       -0.0000001266
 Unscaled step for mode   80=       -0.0000000196
 Unscaled step for mode   81=        0.0000000297
 Unscaled step for mode   82=       -0.0000000457
 Unscaled step for mode   83=        0.0000000813
 Unscaled step for mode   84=        0.0000000382
 Unscaled step for mode   85=       -0.0000001015
 Unscaled step for mode   86=       -0.0000001225
 Unscaled step for mode   87=       -0.0000000605
 Unscaled step for mode   88=       -0.0000000088
 Unscaled step for mode   89=       -0.0000001212
 Unscaled step for mode   90=       -0.0000000524
 Unscaled step for mode   91=       -0.0000000199
 Unscaled step for mode   92=        0.0000001079
 Unscaled step for mode   93=       -0.0000002215
 Unscaled step for mode   94=       -0.0000000701
 Unscaled step for mode   95=       -0.0000002439
 Unscaled step for mode   96=       -0.0000000720
 Unscaled step for mode   97=        0.0000001289
 Unscaled step for mode   98=       -0.0000001206
 Unscaled step for mode   99=       -0.0000001207
 Unscaled step for mode  100=       -0.0000003259
 Unscaled step for mode  101=        0.0000007920
 Unscaled step for mode  102=        0.0000004419
 Unscaled step for mode  103=       -0.0000003217
 Unscaled step for mode  104=        0.0000005066
 Unscaled step for mode  105=        0.0000000817
 Unscaled step for mode  106=        0.0000001419
 Unscaled step for mode  107=       -0.0000012658
 Unscaled step for mode  108=        0.0000026362
 Unscaled step for mode  109=       -0.0000017990
 Unscaled step for mode  110=        0.0000002852
 Unscaled step for mode  111=       -0.0000022685
 Unscaled step for mode  112=        0.0000020938
 Unscaled step for mode  113=       -0.0000081065
 Unscaled step for mode  114=        0.0145326876
 Largest modulus ratio of non-zero e/values=           154.5785820    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.183447E-15    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.812610E-16    0.100786E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.111922E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.458563E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.579399E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.232439E-15    0.973413E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.316072E-06    0.714438E+03 -0.442406E-09 0.124627E-03    0.995473E+00
   8   -0.130386E-06    0.668887E+03  0.194930E-09 0.124627E-03    0.948087E+00
   9    0.238518E-06    0.621044E+03 -0.384059E-09 0.124627E-03    0.974521E+00
  10    0.827625E-06    0.601427E+03 -0.137610E-08 0.124627E-03    0.990768E+00
  11   -0.721157E-06    0.589234E+03  0.122389E-08 0.124627E-03    0.994341E+00
  12    0.160082E-05    0.562039E+03 -0.284823E-08 0.124627E-03    0.990429E+00
  13    0.183137E-05    0.558364E+03 -0.327988E-08 0.124627E-03    0.994687E+00
  14   -0.335124E-05    0.476942E+03  0.702652E-08 0.140874E-03    0.990016E+00
  15    0.113877E-05    0.472176E+03 -0.241174E-08 0.124627E-03    0.992082E+00
  16    0.304885E-06    0.464471E+03 -0.656414E-09 0.124627E-03    0.981685E+00
  17    0.201119E-06    0.441872E+03 -0.455151E-09 0.140874E-03    0.972263E+00
  18    0.158203E-05    0.432692E+03 -0.365625E-08 0.124627E-03    0.987986E+00
  19    0.265634E-05    0.419723E+03 -0.632880E-08 0.124627E-03    0.985664E+00
  20    0.441588E-05    0.404793E+03 -0.109090E-07 0.124627E-03    0.989054E+00
  21    0.169032E-05    0.398666E+03 -0.423995E-08 0.124627E-03    0.982717E+00
  22   -0.937757E-06    0.387879E+03  0.241765E-08 0.124627E-03    0.996662E+00
  23   -0.160265E-05    0.366970E+03  0.436725E-08 0.124627E-03    0.992434E+00
  24    0.121259E-05    0.364877E+03 -0.332327E-08 0.124627E-03    0.989157E+00
  25   -0.312113E-05    0.353642E+03  0.882568E-08 0.124627E-03    0.984725E+00
  26    0.420410E-05    0.347036E+03 -0.121143E-07 0.124627E-03    0.983407E+00
  27    0.301149E-05    0.325603E+03 -0.924896E-08 0.124627E-03    0.983961E+00
  28    0.255754E-05    0.323702E+03 -0.790090E-08 0.124627E-03    0.985707E+00
  29   -0.164047E-05    0.319120E+03  0.514062E-08 0.124627E-03    0.975323E+00
  30   -0.200437E-05    0.314923E+03  0.636463E-08 0.124627E-03    0.987177E+00
  31   -0.175529E-06    0.305424E+03  0.574708E-09 0.140874E-03    0.939498E+00
  32    0.448445E-06    0.287266E+03 -0.156108E-08 0.124627E-03    0.997970E+00
  33    0.150871E-05    0.280176E+03 -0.538485E-08 0.124627E-03    0.982956E+00
  34    0.724406E-06    0.272201E+03 -0.266129E-08 0.140874E-03    0.987843E+00
  35    0.427667E-05    0.265972E+03 -0.160794E-07 0.124627E-03    0.981864E+00
  36    0.436949E-06    0.261642E+03 -0.167003E-08 0.124627E-03    0.981700E+00
  37   -0.172695E-05    0.257753E+03  0.670003E-08 0.124627E-03    0.981512E+00
  38   -0.119160E-05    0.253401E+03  0.470246E-08 0.124627E-03    0.983564E+00
  39   -0.297427E-05    0.245404E+03  0.121199E-07 0.124627E-03    0.981238E+00
  40    0.326859E-06    0.240347E+03 -0.135994E-08 0.124627E-03    0.943225E+00
  41    0.752339E-06    0.233500E+03 -0.322201E-08 0.124627E-03    0.966280E+00
  42   -0.410318E-06    0.228264E+03  0.179756E-08 0.124627E-03    0.968298E+00
  43    0.523911E-06    0.226259E+03 -0.231554E-08 0.124627E-03    0.979801E+00
  44    0.377775E-06    0.213456E+03 -0.176980E-08 0.124627E-03    0.988627E+00
  45   -0.121238E-05    0.211405E+03  0.573485E-08 0.124627E-03    0.972051E+00
  46    0.899079E-06    0.209904E+03 -0.428328E-08 0.124627E-03    0.981322E+00
  47   -0.387787E-05    0.202784E+03  0.191231E-07 0.124627E-03    0.978957E+00
  48   -0.952952E-06    0.199020E+03  0.478823E-08 0.124627E-03    0.987268E+00
  49    0.177745E-05    0.195101E+03 -0.911041E-08 0.140874E-03    0.977040E+00
  50   -0.185985E-05    0.191804E+03  0.969661E-08 0.124627E-03    0.981196E+00
  51   -0.164271E-05    0.186540E+03  0.880622E-08 0.124627E-03    0.979556E+00
  52    0.314548E-06    0.179444E+03 -0.175290E-08 0.124627E-03    0.985128E+00
  53    0.191829E-05    0.170748E+03 -0.112346E-07 0.124627E-03    0.979818E+00
  54   -0.285896E-06    0.168088E+03  0.170087E-08 0.124627E-03    0.960282E+00
  55    0.355820E-05    0.165866E+03 -0.214523E-07 0.124627E-03    0.980147E+00
  56   -0.138094E-05    0.160776E+03  0.858920E-08 0.124627E-03    0.981807E+00
  57   -0.663612E-06    0.154314E+03  0.430040E-08 0.124627E-03    0.982147E+00
  58   -0.293905E-05    0.151099E+03  0.194511E-07 0.124627E-03    0.981505E+00
  59    0.151668E-05    0.148002E+03 -0.102477E-07 0.140874E-03    0.975422E+00
  60    0.249123E-05    0.142134E+03 -0.175274E-07 0.124627E-03    0.976027E+00
  61   -0.206503E-05    0.136840E+03  0.150908E-07 0.124627E-03    0.979871E+00
  62   -0.708476E-05    0.134381E+03  0.527215E-07 0.124627E-03    0.980219E+00
  63    0.439382E-05    0.131042E+03 -0.335299E-07 0.124627E-03    0.980239E+00
  64    0.576486E-06    0.127738E+03 -0.451305E-08 0.124627E-03    0.976445E+00
  65   -0.106076E-05    0.125435E+03  0.845664E-08 0.124627E-03    0.982770E+00
  66   -0.442820E-05    0.123870E+03  0.357489E-07 0.124627E-03    0.979022E+00
  67    0.458625E-06    0.119466E+03 -0.383895E-08 0.124627E-03    0.984006E+00
  68    0.107675E-05    0.118091E+03 -0.911793E-08 0.124627E-03    0.977633E+00
  69   -0.833429E-06    0.116044E+03  0.718200E-08 0.124627E-03    0.989611E+00
  70   -0.900703E-06    0.113145E+03  0.796061E-08 0.124627E-03    0.958611E+00
  71   -0.194642E-06    0.110674E+03  0.175870E-08 0.124627E-03    0.981847E+00
  72    0.492510E-05    0.105906E+03 -0.465045E-07 0.140874E-03    0.977700E+00
  73    0.759780E-06    0.102895E+03 -0.738407E-08 0.124627E-03    0.960053E+00
  74   -0.641063E-05    0.100857E+03  0.635616E-07 0.124627E-03    0.977726E+00
  75   -0.272077E-05    0.971642E+02  0.280017E-07 0.124627E-03    0.972665E+00
  76    0.466978E-05    0.949757E+02 -0.491681E-07 0.124627E-03    0.976484E+00
  77    0.232348E-07    0.918858E+02 -0.252866E-09 0.140874E-03    0.890711E+00
  78   -0.819658E-05    0.901956E+02  0.908756E-07 0.124627E-03    0.975330E+00
  79    0.110460E-04    0.872624E+02 -0.126584E-06 0.124627E-03    0.977847E+00
  80    0.165244E-05    0.844214E+02 -0.195737E-07 0.124627E-03    0.972886E+00
  81   -0.240723E-05    0.809803E+02  0.297261E-07 0.124627E-03    0.974238E+00
  82    0.360611E-05    0.789728E+02 -0.456627E-07 0.124627E-03    0.972973E+00
  83   -0.639624E-05    0.786733E+02  0.813013E-07 0.140874E-03    0.981721E+00
  84   -0.279554E-05    0.732533E+02  0.381627E-07 0.124627E-03    0.974788E+00
  85    0.721244E-05    0.710681E+02 -0.101486E-06 0.140874E-03    0.978531E+00
  86    0.859047E-05    0.701054E+02 -0.122536E-06 0.124627E-03    0.975404E+00
  87    0.407360E-05    0.673507E+02 -0.604834E-07 0.124627E-03    0.982140E+00
  88    0.564566E-06    0.639637E+02 -0.882636E-08 0.124627E-03    0.964845E+00
  89    0.757469E-05    0.624849E+02 -0.121224E-06 0.124627E-03    0.976793E+00
  90    0.312662E-05    0.596441E+02 -0.524213E-07 0.124627E-03    0.974717E+00
  91    0.116070E-05    0.583199E+02 -0.199024E-07 0.124627E-03    0.986518E+00
  92   -0.602764E-05    0.558805E+02  0.107867E-06 0.124627E-03    0.971469E+00
  93    0.118910E-04    0.536885E+02 -0.221481E-06 0.124627E-03    0.976652E+00
  94    0.367958E-05    0.524690E+02 -0.701287E-07 0.124627E-03    0.973041E+00
  95    0.122547E-04    0.502419E+02 -0.243913E-06 0.140874E-03    0.977701E+00
  96    0.346300E-05    0.480800E+02 -0.720258E-07 0.124627E-03    0.978311E+00
  97   -0.567526E-05    0.440184E+02  0.128929E-06 0.124627E-03    0.974452E+00
  98    0.476805E-05    0.395404E+02 -0.120587E-06 0.124627E-03    0.977140E+00
  99    0.460614E-05    0.381468E+02 -0.120748E-06 0.124627E-03    0.968508E+00
 100    0.117164E-04    0.359544E+02 -0.325869E-06 0.124627E-03    0.977636E+00
 101   -0.271850E-04    0.343233E+02  0.792028E-06 0.124627E-03    0.973000E+00
 102   -0.134255E-04    0.303788E+02  0.441937E-06 0.124627E-03    0.977663E+00
 103    0.935923E-05    0.290888E+02 -0.321747E-06 0.140874E-03    0.974630E+00
 104   -0.145267E-04    0.286725E+02  0.506643E-06 0.124627E-03    0.976370E+00
 105   -0.195503E-05    0.239187E+02  0.817366E-07 0.124627E-03    0.941990E+00
 106   -0.310041E-05    0.218430E+02  0.141941E-06 0.124627E-03    0.983518E+00
 107    0.250926E-04    0.198236E+02 -0.126579E-05 0.140874E-03    0.972126E+00
 108   -0.428156E-04    0.162415E+02  0.263618E-05 0.124627E-03    0.977521E+00
 109    0.253229E-04    0.140758E+02 -0.179903E-05 0.124627E-03    0.976131E+00
 110   -0.371680E-05    0.130316E+02  0.285215E-06 0.124627E-03    0.958126E+00
 111    0.273632E-04    0.120624E+02 -0.226847E-05 0.124627E-03    0.968852E+00
 112   -0.193632E-04    0.924776E+01  0.209382E-05 0.124627E-03    0.979374E+00
 113    0.605312E-04    0.746697E+01 -0.810653E-05 0.124627E-03    0.974918E+00
 114    0.671820E-01    0.462184E+01  0.400000E-03 0.400000E-03    0.482500E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1453268756E-01

 Beginning of optimization cycle   15.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4025816874
 potential> RMS force:                                               0.0064653892   |gradient|=.6903146592E-01
 Eigenvalues of the Hessian matrix:
   714.49631    668.90924    621.07624    601.45638    589.24398    562.06462 
   558.40080    476.95315    472.15483    464.45685    441.86674    432.68006 
   419.72951    404.80283    398.66264    387.88639    366.96840    364.86639 
   353.62926    346.99607    325.56826    323.70588    319.11761    314.94523 
   305.42393    287.26607    280.17483    272.19204    265.96819    261.64502 
   257.74903    253.39881    245.38755    240.33733    233.50612    228.26590 
   226.24131    213.44454    211.39783    209.90939    202.78503    199.01445 
   195.10304    191.80113    186.54192    179.42979    170.74535    168.08968 
   165.86410    160.77522    154.30622    151.09815    148.00783    142.13927 
   136.84073    134.38360    131.04218    127.73722    125.43834    123.87890 
   119.46487    118.08889    116.04806    113.14076    110.67008    105.90184 
   102.89290    100.85337     97.16608     94.97636     91.87870     90.19949 
    87.27163     84.42122     80.97815     78.97264     78.67551     73.25102 
    71.07136     70.09748     67.35465     63.95697     62.48410     59.64470 
    58.32262     55.87942     53.68915     52.46671     50.24295     48.07910 
    44.01453     39.54397     38.13973     35.95805     34.32622     30.36868 
    29.08749     28.67300     23.91281     21.84328     19.81809     16.24760 
    14.07265     13.02657     12.05870      9.24973      7.46915      4.62567 
overlap for current and previous eigenvector    109 is        -0.9999911388
overlap for current and previous eigenvector    110 is         0.9999928516
overlap for current and previous eigenvector    111 is         0.9999942293
overlap for current and previous eigenvector    112 is        -0.9999996329
overlap for current and previous eigenvector    113 is         0.9999992269
overlap for current and previous eigenvector    114 is        -0.9999989421
J1,K1,R1,R2,RAT=   7   7   -0.4300262499E-02     2.004137318        0.9956997375    
FOB,PFOB,DIAG,PSTEP=    0.3174313193E-06    0.3160720159E-06     714.4963109       -0.4424064397E-09
J1,K1,R1,R2,RAT=   8   8    0.5552196404E-01     1.944411717        0.9444117174    
FOB,PFOB,DIAG,PSTEP=   -0.1231467344E-06   -0.1303862766E-06     668.9092443        0.1949301813E-09
J1,K1,R1,R2,RAT=   9   9   -0.2490935664E-01     2.024805574        0.9750906434    
FOB,PFOB,DIAG,PSTEP=    0.2444593561E-06    0.2385177247E-06     621.0762355       -0.3840592969E-09
J1,K1,R1,R2,RAT=  10  10   -0.9097061808E-02     2.009000939        0.9909029382    
FOB,PFOB,DIAG,PSTEP=    0.8351545799E-06    0.8276252599E-06     601.4563763       -0.1376101528E-08
J1,K1,R1,R2,RAT=  11  11   -0.5563278209E-02     2.005529425        0.9944367218    
FOB,PFOB,DIAG,PSTEP=   -0.7251689915E-06   -0.7211569269E-06     589.2439848        0.1223888834E-08
J1,K1,R1,R2,RAT= 109 109     2.023599676       -0.2314816728E-01    0.9768518327    
FOB,PFOB,DIAG,PSTEP=   -0.2590892581E-04    0.2532287985E-04     14.07265175       -0.1799032964E-05
J1,K1,R1,R2,RAT= 110 110   -0.4146101484E-01     2.042234446        0.9585389852    
FOB,PFOB,DIAG,PSTEP=   -0.3870847069E-05   -0.3716804167E-05     13.02656579        0.2852146481E-06
J1,K1,R1,R2,RAT= 111 111   -0.3037673399E-01     2.030991105        0.9696232660    
FOB,PFOB,DIAG,PSTEP=    0.2819409808E-04    0.2736315020E-04     12.05869655       -0.2268466339E-05
J1,K1,R1,R2,RAT= 112 112     2.019395408       -0.1982171926E-01    0.9801782807    
FOB,PFOB,DIAG,PSTEP=    0.1974705058E-04   -0.1936315768E-04     9.249732417        0.2093821210E-05
J1,K1,R1,R2,RAT= 113 113   -0.2434060198E-01     2.023757351        0.9756593980    
FOB,PFOB,DIAG,PSTEP=    0.6200499016E-04    0.6053119465E-04     7.469145254       -0.8106530290E-05
J1,K1,R1,R2,RAT= 114 114    -73.61820000        0.9995208815        0.4791184713E-03
FOB,PFOB,DIAG,PSTEP=   -0.6903138562E-01    0.6718200425E-01     4.625669667        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00001      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00001 
     0.00000      0.00001     -0.00000      0.00000     -0.00000      0.00001 
    -0.00001     -0.00000      0.00000     -0.00000      0.00001      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000      0.00001      0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000     -0.00000      0.00001     -0.00003      0.00001 
     0.00001     -0.00001     -0.00000      0.00000      0.00003     -0.00004 
    -0.00003     -0.00000      0.00003      0.00002      0.00006     -0.06903 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4309661711
 Log product of positive Hessian eigenvalues =          520.5227158176
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6256696667
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000029
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000071
 Unscaled step for mode   15=       -0.0000000024
 Unscaled step for mode   16=       -0.0000000007
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000037
 Unscaled step for mode   19=       -0.0000000064
 Unscaled step for mode   20=       -0.0000000110
 Unscaled step for mode   21=       -0.0000000043
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000044
 Unscaled step for mode   24=       -0.0000000034
 Unscaled step for mode   25=        0.0000000090
 Unscaled step for mode   26=       -0.0000000123
 Unscaled step for mode   27=       -0.0000000094
 Unscaled step for mode   28=       -0.0000000080
 Unscaled step for mode   29=        0.0000000053
 Unscaled step for mode   30=        0.0000000064
 Unscaled step for mode   31=        0.0000000006
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000055
 Unscaled step for mode   34=       -0.0000000027
 Unscaled step for mode   35=       -0.0000000164
 Unscaled step for mode   36=       -0.0000000017
 Unscaled step for mode   37=        0.0000000068
 Unscaled step for mode   38=        0.0000000048
 Unscaled step for mode   39=        0.0000000123
 Unscaled step for mode   40=       -0.0000000014
 Unscaled step for mode   41=       -0.0000000033
 Unscaled step for mode   42=        0.0000000019
 Unscaled step for mode   43=       -0.0000000024
 Unscaled step for mode   44=       -0.0000000017
 Unscaled step for mode   45=        0.0000000059
 Unscaled step for mode   46=       -0.0000000044
 Unscaled step for mode   47=        0.0000000195
 Unscaled step for mode   48=        0.0000000048
 Unscaled step for mode   49=       -0.0000000093
 Unscaled step for mode   50=        0.0000000099
 Unscaled step for mode   51=        0.0000000090
 Unscaled step for mode   52=       -0.0000000018
 Unscaled step for mode   53=       -0.0000000115
 Unscaled step for mode   54=        0.0000000018
 Unscaled step for mode   55=       -0.0000000219
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=       -0.0000000044
 Unscaled step for mode   58=        0.0000000198
 Unscaled step for mode   59=       -0.0000000105
 Unscaled step for mode   60=        0.0000000179
 Unscaled step for mode   61=       -0.0000000154
 Unscaled step for mode   62=       -0.0000000537
 Unscaled step for mode   63=       -0.0000000342
 Unscaled step for mode   64=        0.0000000046
 Unscaled step for mode   65=       -0.0000000086
 Unscaled step for mode   66=       -0.0000000365
 Unscaled step for mode   67=        0.0000000039
 Unscaled step for mode   68=       -0.0000000093
 Unscaled step for mode   69=        0.0000000073
 Unscaled step for mode   70=        0.0000000083
 Unscaled step for mode   71=        0.0000000018
 Unscaled step for mode   72=       -0.0000000475
 Unscaled step for mode   73=       -0.0000000077
 Unscaled step for mode   74=       -0.0000000650
 Unscaled step for mode   75=        0.0000000288
 Unscaled step for mode   76=       -0.0000000503
 Unscaled step for mode   77=        0.0000000002
 Unscaled step for mode   78=       -0.0000000931
 Unscaled step for mode   79=        0.0000001293
 Unscaled step for mode   80=        0.0000000201
 Unscaled step for mode   81=       -0.0000000305
 Unscaled step for mode   82=        0.0000000469
 Unscaled step for mode   83=       -0.0000000827
 Unscaled step for mode   84=       -0.0000000391
 Unscaled step for mode   85=       -0.0000001036
 Unscaled step for mode   86=       -0.0000001255
 Unscaled step for mode   87=       -0.0000000615
 Unscaled step for mode   88=        0.0000000091
 Unscaled step for mode   89=        0.0000001240
 Unscaled step for mode   90=        0.0000000537
 Unscaled step for mode   91=        0.0000000202
 Unscaled step for mode   92=       -0.0000001109
 Unscaled step for mode   93=       -0.0000002265
 Unscaled step for mode   94=       -0.0000000720
 Unscaled step for mode   95=        0.0000002492
 Unscaled step for mode   96=       -0.0000000735
 Unscaled step for mode   97=        0.0000001322
 Unscaled step for mode   98=       -0.0000001233
 Unscaled step for mode   99=        0.0000001245
 Unscaled step for mode  100=       -0.0000003329
 Unscaled step for mode  101=        0.0000008128
 Unscaled step for mode  102=       -0.0000004517
 Unscaled step for mode  103=       -0.0000003297
 Unscaled step for mode  104=        0.0000005183
 Unscaled step for mode  105=        0.0000000863
 Unscaled step for mode  106=       -0.0000001442
 Unscaled step for mode  107=       -0.0000013005
 Unscaled step for mode  108=        0.0000026925
 Unscaled step for mode  109=        0.0000018411
 Unscaled step for mode  110=        0.0000002972
 Unscaled step for mode  111=       -0.0000023381
 Unscaled step for mode  112=       -0.0000021349
 Unscaled step for mode  113=       -0.0000083015
 Unscaled step for mode  114=       -0.0149202220
 Largest modulus ratio of non-zero e/values=           154.4633237    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.101319E-15    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.329110E-15    0.100786E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.424521E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.205998E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.235299E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.172246E-15    0.973414E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.317431E-06    0.714496E+03 -0.444273E-09 0.112276E-03    0.995700E+00
   8   -0.123147E-06    0.668909E+03  0.184101E-09 0.112276E-03    0.944412E+00
   9    0.244459E-06    0.621076E+03 -0.393606E-09 0.112276E-03    0.975091E+00
  10    0.835155E-06    0.601456E+03 -0.138855E-08 0.112276E-03    0.990903E+00
  11   -0.725169E-06    0.589244E+03  0.123068E-08 0.112276E-03    0.994437E+00
  12    0.161597E-05    0.562065E+03 -0.287506E-08 0.112276E-03    0.990536E+00
  13    0.184085E-05    0.558401E+03 -0.329665E-08 0.112276E-03    0.994822E+00
  14   -0.338420E-05    0.476953E+03  0.709546E-08 0.126913E-03    0.990164E+00
  15    0.114766E-05    0.472155E+03 -0.243069E-08 0.112276E-03    0.992189E+00
  16    0.310450E-06    0.464457E+03 -0.668415E-09 0.112276E-03    0.981746E+00
  17    0.206630E-06    0.441867E+03 -0.467630E-09 0.126913E-03    0.972595E+00
  18    0.160080E-05    0.432680E+03 -0.369974E-08 0.112276E-03    0.988134E+00
  19    0.269400E-05    0.419730E+03 -0.641843E-08 0.112276E-03    0.985823E+00
  20    0.446348E-05    0.404803E+03 -0.110263E-07 0.112276E-03    0.989221E+00
  21    0.171915E-05    0.398663E+03 -0.431229E-08 0.112276E-03    0.982948E+00
  22   -0.940653E-06    0.387886E+03  0.242507E-08 0.112276E-03    0.996912E+00
  23   -0.161448E-05    0.366968E+03  0.439952E-08 0.112276E-03    0.992615E+00
  24    0.122549E-05    0.364866E+03 -0.335875E-08 0.112276E-03    0.989354E+00
  25   -0.316823E-05    0.353629E+03  0.895918E-08 0.112276E-03    0.984910E+00
  26    0.427306E-05    0.346996E+03 -0.123144E-07 0.112276E-03    0.983594E+00
  27    0.305908E-05    0.325568E+03 -0.939614E-08 0.112276E-03    0.984194E+00
  28    0.259353E-05    0.323706E+03 -0.801201E-08 0.112276E-03    0.985924E+00
  29   -0.168051E-05    0.319118E+03  0.526611E-08 0.112276E-03    0.975595E+00
  30   -0.202974E-05    0.314945E+03  0.644475E-08 0.112276E-03    0.987341E+00
  31   -0.185760E-06    0.305424E+03  0.608205E-09 0.126913E-03    0.941712E+00
  32    0.449182E-06    0.287266E+03 -0.156364E-08 0.112276E-03    0.998356E+00
  33    0.153406E-05    0.280175E+03 -0.547536E-08 0.112276E-03    0.983197E+00
  34    0.733101E-06    0.272192E+03 -0.269332E-08 0.126913E-03    0.987997E+00
  35    0.435313E-05    0.265968E+03 -0.163671E-07 0.112276E-03    0.982121E+00
  36    0.444910E-06    0.261645E+03 -0.170044E-08 0.112276E-03    0.981780E+00
  37   -0.175845E-05    0.257749E+03  0.682232E-08 0.112276E-03    0.981762E+00
  38   -0.121087E-05    0.253399E+03  0.477853E-08 0.112276E-03    0.983829E+00
  39   -0.302930E-05    0.245388E+03  0.123450E-07 0.112276E-03    0.981496E+00
  40    0.344877E-06    0.240337E+03 -0.143497E-08 0.112276E-03    0.944875E+00
  41    0.777310E-06    0.233506E+03 -0.332886E-08 0.112276E-03    0.966810E+00
  42   -0.423117E-06    0.228266E+03  0.185362E-08 0.112276E-03    0.968806E+00
  43    0.534361E-06    0.226241E+03 -0.236191E-08 0.112276E-03    0.980052E+00
  44    0.372957E-06    0.213445E+03 -0.174733E-08 0.112276E-03    0.987248E+00
  45   -0.124564E-05    0.211398E+03  0.589238E-08 0.112276E-03    0.972566E+00
  46    0.915878E-06    0.209909E+03 -0.436321E-08 0.112276E-03    0.981316E+00
  47   -0.395825E-05    0.202785E+03  0.195194E-07 0.112276E-03    0.979273E+00
  48   -0.964702E-06    0.199014E+03  0.484740E-08 0.112276E-03    0.987670E+00
  49    0.181769E-05    0.195103E+03 -0.931655E-08 0.126913E-03    0.977363E+00
  50   -0.189422E-05    0.191801E+03  0.987596E-08 0.112276E-03    0.981519E+00
  51   -0.167573E-05    0.186542E+03  0.898311E-08 0.112276E-03    0.979902E+00
  52    0.319103E-06    0.179430E+03 -0.177843E-08 0.112276E-03    0.985517E+00
  53    0.195629E-05    0.170745E+03 -0.114574E-07 0.112276E-03    0.980186E+00
  54   -0.297083E-06    0.168090E+03  0.176741E-08 0.112276E-03    0.960870E+00
  55    0.362758E-05    0.165864E+03 -0.218708E-07 0.112276E-03    0.980502E+00
  56   -0.140559E-05    0.160775E+03  0.874260E-08 0.112276E-03    0.982146E+00
  57    0.675216E-06    0.154306E+03 -0.437582E-08 0.112276E-03    0.982513E+00
  58   -0.299236E-05    0.151098E+03  0.198041E-07 0.112276E-03    0.981860E+00
  59    0.155329E-05    0.148008E+03 -0.104946E-07 0.126913E-03    0.975864E+00
  60   -0.254985E-05    0.142139E+03  0.179391E-07 0.112276E-03    0.976470E+00
  61    0.210582E-05    0.136841E+03 -0.153889E-07 0.112276E-03    0.980244E+00
  62    0.722209E-05    0.134384E+03 -0.537424E-07 0.112276E-03    0.980616E+00
  63    0.447893E-05    0.131042E+03 -0.341793E-07 0.112276E-03    0.980631E+00
  64   -0.589863E-06    0.127737E+03  0.461778E-08 0.112276E-03    0.976796E+00
  65    0.107851E-05    0.125438E+03 -0.859794E-08 0.112276E-03    0.983266E+00
  66    0.451930E-05    0.123879E+03 -0.364816E-07 0.112276E-03    0.979429E+00
  67   -0.465792E-06    0.119465E+03  0.389899E-08 0.112276E-03    0.984373E+00
  68    0.110038E-05    0.118089E+03 -0.931825E-08 0.112276E-03    0.978052E+00
  69   -0.841652E-06    0.116048E+03  0.725262E-08 0.112276E-03    0.990133E+00
  70   -0.937146E-06    0.113141E+03  0.828301E-08 0.112276E-03    0.959538E+00
  71   -0.198055E-06    0.110670E+03  0.178960E-08 0.112276E-03    0.982462E+00
  72    0.503277E-05    0.105902E+03 -0.475230E-07 0.126913E-03    0.978137E+00
  73    0.789594E-06    0.102893E+03 -0.767394E-08 0.112276E-03    0.960759E+00
  74    0.655046E-05    0.100853E+03 -0.649503E-07 0.112276E-03    0.978188E+00
  75   -0.279384E-05    0.971661E+02  0.287532E-07 0.112276E-03    0.973144E+00
  76    0.477742E-05    0.949764E+02 -0.503011E-07 0.112276E-03    0.976949E+00
  77   -0.202734E-07    0.918787E+02  0.220654E-09 0.126913E-03    0.872536E+00
  78    0.839480E-05    0.901995E+02 -0.930692E-07 0.112276E-03    0.975818E+00
  79   -0.112851E-04    0.872716E+02  0.129310E-06 0.112276E-03    0.978358E+00
  80   -0.169644E-05    0.844212E+02  0.200949E-07 0.112276E-03    0.973372E+00
  81    0.246797E-05    0.809782E+02 -0.304770E-07 0.112276E-03    0.974768E+00
  82   -0.370237E-05    0.789726E+02  0.468817E-07 0.112276E-03    0.973306E+00
  83    0.650920E-05    0.786755E+02 -0.827347E-07 0.126913E-03    0.982341E+00
  84    0.286457E-05    0.732510E+02 -0.391062E-07 0.112276E-03    0.975310E+00
  85    0.736377E-05    0.710714E+02 -0.103611E-06 0.126913E-03    0.979018E+00
  86    0.879680E-05    0.700975E+02 -0.125494E-06 0.112276E-03    0.975979E+00
  87    0.414400E-05    0.673546E+02 -0.615251E-07 0.112276E-03    0.982719E+00
  88   -0.583714E-06    0.639570E+02  0.912667E-08 0.112276E-03    0.966080E+00
  89   -0.774638E-05    0.624841E+02  0.123974E-06 0.112276E-03    0.977333E+00
  90   -0.320390E-05    0.596447E+02  0.537163E-07 0.112276E-03    0.975284E+00
  91   -0.117564E-05    0.583226E+02  0.201576E-07 0.112276E-03    0.987129E+00
  92    0.619609E-05    0.558794E+02 -0.110883E-06 0.112276E-03    0.972052E+00
  93    0.121615E-04    0.536891E+02 -0.226518E-06 0.112276E-03    0.977245E+00
  94    0.377667E-05    0.524667E+02 -0.719822E-07 0.112276E-03    0.973614E+00
  95   -0.125206E-04    0.502429E+02  0.249201E-06 0.126913E-03    0.978299E+00
  96    0.353605E-05    0.480791E+02 -0.735466E-07 0.112276E-03    0.978903E+00
  97   -0.581671E-05    0.440145E+02  0.132154E-06 0.112276E-03    0.975073E+00
  98    0.487420E-05    0.395440E+02 -0.123260E-06 0.112276E-03    0.977740E+00
  99   -0.474812E-05    0.381397E+02  0.124493E-06 0.112276E-03    0.969171E+00
 100    0.119714E-04    0.359581E+02 -0.332926E-06 0.112276E-03    0.978241E+00
 101   -0.279005E-04    0.343262E+02  0.812805E-06 0.112276E-03    0.973683E+00
 102    0.137166E-04    0.303687E+02 -0.451670E-06 0.112276E-03    0.978309E+00
 103    0.959051E-05    0.290875E+02 -0.329713E-06 0.126913E-03    0.975287E+00
 104   -0.148602E-04    0.286730E+02  0.518266E-06 0.112276E-03    0.977043E+00
 105   -0.206477E-05    0.239128E+02  0.863460E-07 0.112276E-03    0.943851E+00
 106    0.314893E-05    0.218433E+02 -0.144160E-06 0.112276E-03    0.984353E+00
 107    0.257742E-04    0.198181E+02 -0.130054E-05 0.126913E-03    0.972830E+00
 108   -0.437470E-04    0.162476E+02  0.269252E-05 0.112276E-03    0.978255E+00
 109   -0.259089E-04    0.140727E+02  0.184108E-05 0.112276E-03    0.976852E+00
 110   -0.387085E-05    0.130266E+02  0.297150E-06 0.112276E-03    0.958539E+00
 111    0.281941E-04    0.120587E+02 -0.233807E-05 0.112276E-03    0.969623E+00
 112    0.197471E-04    0.924973E+01 -0.213488E-05 0.112276E-03    0.980178E+00
 113    0.620050E-04    0.746915E+01 -0.830148E-05 0.112276E-03    0.975659E+00
 114   -0.690314E-01    0.462567E+01 -0.400000E-03 0.400000E-03    0.479118E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1492022200E-01

 Beginning of optimization cycle   16.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4025537051
 potential> RMS force:                                               0.0066387420   |gradient|=.7088236836E-01
 Eigenvalues of the Hessian matrix:
   714.55453    668.93137    621.10833    601.48513    589.25382    562.09028 
   558.43719    476.96478    472.13377    464.44321    441.86139    432.66784 
   419.73621    404.81245    398.65946    387.89338    366.96671    364.85550 
   353.61670    346.95589    325.53349    323.71010    319.11550    314.96741 
   305.42411    287.26584    280.17313    272.18337    265.96439    261.64834 
   257.74543    253.39709    245.37109    240.32732    233.51268    228.26826 
   226.22349    213.43287    211.39069    209.91450    202.78568    199.00907 
   195.10506    191.79827    186.54394    179.41529    170.74289    168.09151 
   165.86267    160.77418    154.29822    151.09735    148.01417    142.14501 
   136.84174    134.38657    131.04227    127.73679    125.44141    123.88807 
   119.46366    118.08642    116.05207    113.13653    110.66653    105.89787 
   102.89128    100.84963     97.16793     94.97701     91.87158     90.20335 
    87.28090     84.42111     80.97602     78.97247     78.67770     73.24874 
    71.07461     70.08951     67.35857     63.95031     62.48330     59.64532 
    58.32534     55.87837     53.68982     52.46441     50.24401     48.07824 
    44.01062     39.54748     38.13260     35.96172     34.32916     30.35857 
    29.08621     28.67347     23.90697     21.84354     19.81262     16.25366 
    14.06948     13.02151     12.05495      9.25171      7.47130      4.62945 
overlap for current and previous eigenvector    109 is        -0.9999911567
overlap for current and previous eigenvector    110 is        -0.9999927869
overlap for current and previous eigenvector    111 is         0.9999941027
overlap for current and previous eigenvector    112 is         0.9999996339
overlap for current and previous eigenvector    113 is        -0.9999992302
overlap for current and previous eigenvector    114 is        -0.9999989468
J1,K1,R1,R2,RAT=   7   7   -0.4075317898E-02     2.003912359        0.9959246821    
FOB,PFOB,DIAG,PSTEP=    0.3187250582E-06    0.3174313193E-06     714.5545324       -0.4442728597E-09
J1,K1,R1,R2,RAT=   8   8    0.5967340544E-01     1.940260438        0.9402604383    
FOB,PFOB,DIAG,PSTEP=   -0.1157979063E-06   -0.1231467344E-06     668.9313713        0.1841008111E-09
J1,K1,R1,R2,RAT=   9   9   -0.2436041023E-01     2.024257069        0.9756395898    
FOB,PFOB,DIAG,PSTEP=    0.2504147940E-06    0.2444593561E-06     621.1083284       -0.3936060376E-09
J1,K1,R1,R2,RAT=  10  10   -0.8964156191E-02     2.008868534        0.9910358438    
FOB,PFOB,DIAG,PSTEP=    0.8426413940E-06    0.8351545799E-06     601.4851340       -0.1388553872E-08
J1,K1,R1,R2,RAT=  11  11   -0.5469184936E-02     2.005435807        0.9945308151    
FOB,PFOB,DIAG,PSTEP=   -0.7291351410E-06   -0.7251689915E-06     589.2538190        0.1230676952E-08
J1,K1,R1,R2,RAT= 109 109     2.022914282       -0.2246411606E-01    0.9775358839    
FOB,PFOB,DIAG,PSTEP=    0.2649081595E-04   -0.2590892581E-04     14.06948495        0.1841083419E-05
J1,K1,R1,R2,RAT= 110 110     2.041849143       -0.4107211356E-01    0.9589278864    
FOB,PFOB,DIAG,PSTEP=    0.4029769196E-05   -0.3870847069E-05     13.02150674        0.2971502338E-06
J1,K1,R1,R2,RAT= 111 111   -0.2964196932E-01     2.030263674        0.9703580307    
FOB,PFOB,DIAG,PSTEP=    0.2902956696E-04    0.2819409808E-04     12.05494924       -0.2338071777E-05
J1,K1,R1,R2,RAT= 112 112   -0.1905484510E-01     2.018628274        0.9809451549    
FOB,PFOB,DIAG,PSTEP=    0.2012340784E-04    0.1974705058E-04     9.251705673       -0.2134878037E-05
J1,K1,R1,R2,RAT= 113 113     2.023060586       -0.2363742010E-01    0.9763625799    
FOB,PFOB,DIAG,PSTEP=   -0.6347105100E-04    0.6200499016E-04     7.471300104       -0.8301484044E-05
J1,K1,R1,R2,RAT= 114 114    -75.55624087        0.9995242636        0.4757364003E-03
FOB,PFOB,DIAG,PSTEP=    0.7088228646E-01   -0.6903138562E-01     4.629454512       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00001 
     0.00000     -0.00001     -0.00000     -0.00000      0.00000     -0.00001 
     0.00001     -0.00000     -0.00000      0.00000      0.00001      0.00000 
     0.00001      0.00001     -0.00000     -0.00000      0.00001      0.00000 
     0.00000     -0.00001     -0.00001     -0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000      0.00001      0.00003     -0.00001 
     0.00001     -0.00002     -0.00000     -0.00000      0.00003     -0.00004 
     0.00003      0.00000      0.00003      0.00002     -0.00006      0.07088 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4310631680
 Log product of positive Hessian eigenvalues =          520.5222540491
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6294545120
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000029
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000072
 Unscaled step for mode   15=       -0.0000000024
 Unscaled step for mode   16=       -0.0000000007
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000037
 Unscaled step for mode   19=       -0.0000000065
 Unscaled step for mode   20=       -0.0000000111
 Unscaled step for mode   21=       -0.0000000044
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000044
 Unscaled step for mode   24=       -0.0000000034
 Unscaled step for mode   25=        0.0000000091
 Unscaled step for mode   26=       -0.0000000125
 Unscaled step for mode   27=       -0.0000000095
 Unscaled step for mode   28=       -0.0000000081
 Unscaled step for mode   29=        0.0000000054
 Unscaled step for mode   30=        0.0000000065
 Unscaled step for mode   31=        0.0000000006
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000056
 Unscaled step for mode   34=       -0.0000000027
 Unscaled step for mode   35=       -0.0000000167
 Unscaled step for mode   36=       -0.0000000017
 Unscaled step for mode   37=        0.0000000069
 Unscaled step for mode   38=        0.0000000049
 Unscaled step for mode   39=        0.0000000126
 Unscaled step for mode   40=       -0.0000000015
 Unscaled step for mode   41=       -0.0000000034
 Unscaled step for mode   42=        0.0000000019
 Unscaled step for mode   43=       -0.0000000024
 Unscaled step for mode   44=       -0.0000000017
 Unscaled step for mode   45=        0.0000000061
 Unscaled step for mode   46=       -0.0000000044
 Unscaled step for mode   47=        0.0000000199
 Unscaled step for mode   48=        0.0000000049
 Unscaled step for mode   49=       -0.0000000095
 Unscaled step for mode   50=        0.0000000101
 Unscaled step for mode   51=        0.0000000092
 Unscaled step for mode   52=       -0.0000000018
 Unscaled step for mode   53=        0.0000000117
 Unscaled step for mode   54=        0.0000000018
 Unscaled step for mode   55=       -0.0000000223
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=       -0.0000000045
 Unscaled step for mode   58=        0.0000000202
 Unscaled step for mode   59=       -0.0000000107
 Unscaled step for mode   60=       -0.0000000184
 Unscaled step for mode   61=       -0.0000000157
 Unscaled step for mode   62=       -0.0000000548
 Unscaled step for mode   63=       -0.0000000348
 Unscaled step for mode   64=       -0.0000000047
 Unscaled step for mode   65=        0.0000000087
 Unscaled step for mode   66=        0.0000000372
 Unscaled step for mode   67=       -0.0000000040
 Unscaled step for mode   68=        0.0000000095
 Unscaled step for mode   69=       -0.0000000073
 Unscaled step for mode   70=       -0.0000000086
 Unscaled step for mode   71=       -0.0000000018
 Unscaled step for mode   72=        0.0000000485
 Unscaled step for mode   73=       -0.0000000080
 Unscaled step for mode   74=        0.0000000663
 Unscaled step for mode   75=        0.0000000295
 Unscaled step for mode   76=        0.0000000514
 Unscaled step for mode   77=       -0.0000000002
 Unscaled step for mode   78=        0.0000000953
 Unscaled step for mode   79=       -0.0000001320
 Unscaled step for mode   80=        0.0000000206
 Unscaled step for mode   81=        0.0000000312
 Unscaled step for mode   82=       -0.0000000481
 Unscaled step for mode   83=       -0.0000000841
 Unscaled step for mode   84=       -0.0000000401
 Unscaled step for mode   85=       -0.0000001057
 Unscaled step for mode   86=       -0.0000001285
 Unscaled step for mode   87=        0.0000000626
 Unscaled step for mode   88=        0.0000000094
 Unscaled step for mode   89=       -0.0000001267
 Unscaled step for mode   90=       -0.0000000550
 Unscaled step for mode   91=       -0.0000000204
 Unscaled step for mode   92=        0.0000001139
 Unscaled step for mode   93=        0.0000002315
 Unscaled step for mode   94=        0.0000000738
 Unscaled step for mode   95=        0.0000002545
 Unscaled step for mode   96=        0.0000000751
 Unscaled step for mode   97=        0.0000001354
 Unscaled step for mode   98=        0.0000001259
 Unscaled step for mode   99=        0.0000001283
 Unscaled step for mode  100=       -0.0000003399
 Unscaled step for mode  101=       -0.0000008336
 Unscaled step for mode  102=        0.0000004613
 Unscaled step for mode  103=       -0.0000003377
 Unscaled step for mode  104=        0.0000005298
 Unscaled step for mode  105=        0.0000000911
 Unscaled step for mode  106=        0.0000001463
 Unscaled step for mode  107=       -0.0000013354
 Unscaled step for mode  108=        0.0000027482
 Unscaled step for mode  109=       -0.0000018829
 Unscaled step for mode  110=       -0.0000003095
 Unscaled step for mode  111=       -0.0000024081
 Unscaled step for mode  112=       -0.0000021751
 Unscaled step for mode  113=        0.0000084953
 Unscaled step for mode  114=        0.0153075653
 Largest modulus ratio of non-zero e/values=           154.3496173    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.723325E-15    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.290024E-15    0.100785E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.262817E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.292735E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.708700E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.505502E-15    0.973414E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.318725E-06    0.714555E+03 -0.446047E-09 0.101150E-03    0.995925E+00
   8   -0.115798E-06    0.668931E+03  0.173109E-09 0.101150E-03    0.940260E+00
   9    0.250415E-06    0.621108E+03 -0.403174E-09 0.101150E-03    0.975640E+00
  10    0.842641E-06    0.601485E+03 -0.140093E-08 0.101150E-03    0.991036E+00
  11   -0.729135E-06    0.589254E+03  0.123739E-08 0.101150E-03    0.994531E+00
  12    0.163109E-05    0.562090E+03 -0.290183E-08 0.101150E-03    0.990641E+00
  13    0.185014E-05    0.558437E+03 -0.331306E-08 0.101150E-03    0.994955E+00
  14   -0.341700E-05    0.476965E+03  0.716405E-08 0.114336E-03    0.990309E+00
  15    0.115650E-05    0.472134E+03 -0.244953E-08 0.101150E-03    0.992294E+00
  16    0.316098E-06    0.464443E+03 -0.680595E-09 0.101150E-03    0.981808E+00
  17    0.212225E-06    0.441861E+03 -0.480298E-09 0.114336E-03    0.972923E+00
  18    0.161956E-05    0.432668E+03 -0.374320E-08 0.101150E-03    0.988279E+00
  19    0.273178E-05    0.419736E+03 -0.650832E-08 0.101150E-03    0.985978E+00
  20    0.451086E-05    0.404812E+03 -0.111431E-07 0.101150E-03    0.989385E+00
  21    0.174807E-05    0.398659E+03 -0.438488E-08 0.101150E-03    0.983174E+00
  22   -0.943325E-06    0.387893E+03  0.243192E-08 0.101150E-03    0.997160E+00
  23   -0.162612E-05    0.366967E+03  0.443125E-08 0.101150E-03    0.992792E+00
  24    0.123831E-05    0.364855E+03 -0.339396E-08 0.101150E-03    0.989546E+00
  25   -0.321547E-05    0.353617E+03  0.909308E-08 0.101150E-03    0.985090E+00
  26    0.434238E-05    0.346956E+03 -0.125156E-07 0.101150E-03    0.983777E+00
  27    0.310673E-05    0.325533E+03 -0.954351E-08 0.101150E-03    0.984422E+00
  28    0.262949E-05    0.323710E+03 -0.812297E-08 0.101150E-03    0.986137E+00
  29   -0.172108E-05    0.319115E+03  0.539328E-08 0.101150E-03    0.975859E+00
  30   -0.205512E-05    0.314967E+03  0.652487E-08 0.101150E-03    0.987498E+00
  31   -0.196209E-06    0.305424E+03  0.642415E-09 0.114336E-03    0.943753E+00
  32    0.449747E-06    0.287266E+03 -0.156561E-08 0.101150E-03    0.998741E+00
  33    0.155948E-05    0.280173E+03 -0.556611E-08 0.101150E-03    0.983432E+00
  34    0.741791E-06    0.272183E+03 -0.272534E-08 0.114336E-03    0.988145E+00
  35    0.442986E-05    0.265964E+03 -0.166559E-07 0.101150E-03    0.982372E+00
  36    0.452983E-06    0.261648E+03 -0.173127E-08 0.101150E-03    0.981856E+00
  37   -0.179009E-05    0.257745E+03  0.694518E-08 0.101150E-03    0.982005E+00
  38   -0.123014E-05    0.253397E+03  0.485461E-08 0.101150E-03    0.984086E+00
  39   -0.308459E-05    0.245371E+03  0.125711E-07 0.101150E-03    0.981748E+00
  40    0.363355E-06    0.240327E+03 -0.151192E-08 0.101150E-03    0.946419E+00
  41    0.802710E-06    0.233513E+03 -0.343754E-08 0.101150E-03    0.967323E+00
  42   -0.436108E-06    0.228268E+03  0.191051E-08 0.101150E-03    0.969299E+00
  43    0.544890E-06    0.226223E+03 -0.240864E-08 0.101150E-03    0.980295E+00
  44    0.367663E-06    0.213433E+03 -0.172262E-08 0.101150E-03    0.985803E+00
  45   -0.127918E-05    0.211391E+03  0.605127E-08 0.101150E-03    0.973069E+00
  46    0.933009E-06    0.209915E+03 -0.444471E-08 0.101150E-03    0.981296E+00
  47   -0.403908E-05    0.202786E+03  0.199180E-07 0.101150E-03    0.979579E+00
  48   -0.976218E-06    0.199009E+03  0.490540E-08 0.101150E-03    0.988062E+00
  49    0.185827E-05    0.195105E+03 -0.952444E-08 0.114336E-03    0.977676E+00
  50   -0.192863E-05    0.191798E+03  0.100555E-07 0.101150E-03    0.981832E+00
  51   -0.170884E-05    0.186544E+03  0.916055E-08 0.101150E-03    0.980237E+00
  52    0.323604E-06    0.179415E+03 -0.180366E-08 0.101150E-03    0.985894E+00
  53   -0.199436E-05    0.170743E+03  0.116805E-07 0.101150E-03    0.980542E+00
  54   -0.308539E-06    0.168092E+03  0.183554E-08 0.101150E-03    0.961441E+00
  55    0.369707E-05    0.165863E+03 -0.222900E-07 0.101150E-03    0.980844E+00
  56    0.143023E-05    0.160774E+03 -0.889589E-08 0.101150E-03    0.982473E+00
  57    0.686784E-06    0.154298E+03 -0.445102E-08 0.101150E-03    0.982866E+00
  58   -0.304562E-05    0.151097E+03  0.201567E-07 0.101150E-03    0.982202E+00
  59    0.159012E-05    0.148014E+03 -0.107430E-07 0.114336E-03    0.976291E+00
  60    0.260876E-05    0.142145E+03 -0.183528E-07 0.101150E-03    0.976898E+00
  61    0.214667E-05    0.136842E+03 -0.156873E-07 0.101150E-03    0.980602E+00
  62    0.735933E-05    0.134387E+03 -0.547624E-07 0.101150E-03    0.980998E+00
  63    0.456399E-05    0.131042E+03 -0.348284E-07 0.101150E-03    0.981009E+00
  64    0.603352E-06    0.127737E+03 -0.472340E-08 0.101150E-03    0.977132E+00
  65   -0.109604E-05    0.125441E+03  0.873748E-08 0.101150E-03    0.983747E+00
  66   -0.461051E-05    0.123888E+03  0.372151E-07 0.101150E-03    0.979821E+00
  67    0.472908E-06    0.119464E+03 -0.395859E-08 0.101150E-03    0.984723E+00
  68   -0.112409E-05    0.118086E+03  0.951920E-08 0.101150E-03    0.978455E+00
  69    0.849531E-06    0.116052E+03 -0.732026E-08 0.101150E-03    0.990640E+00
  70    0.974231E-06    0.113137E+03 -0.861111E-08 0.101150E-03    0.960427E+00
  71    0.201410E-06    0.110667E+03 -0.181997E-08 0.101150E-03    0.983062E+00
  72   -0.514070E-05    0.105898E+03  0.485439E-07 0.114336E-03    0.978556E+00
  73    0.820040E-06    0.102891E+03 -0.796996E-08 0.101150E-03    0.961441E+00
  74   -0.669042E-05    0.100850E+03  0.663405E-07 0.101150E-03    0.978633E+00
  75   -0.286758E-05    0.971679E+02  0.295116E-07 0.101150E-03    0.973604E+00
  76   -0.488541E-05    0.949770E+02  0.514378E-07 0.101150E-03    0.977395E+00
  77    0.172027E-07    0.918716E+02 -0.187247E-09 0.114336E-03    0.848524E+00
  78   -0.859388E-05    0.902034E+02  0.952723E-07 0.101150E-03    0.976286E+00
  79    0.115238E-04    0.872809E+02 -0.132031E-06 0.101150E-03    0.978849E+00
  80   -0.174082E-05    0.844211E+02  0.206206E-07 0.101150E-03    0.973839E+00
  81   -0.252898E-05    0.809760E+02  0.312313E-07 0.101150E-03    0.975276E+00
  82    0.380005E-05    0.789725E+02 -0.481186E-07 0.101150E-03    0.973618E+00
  83    0.662023E-05    0.786777E+02 -0.841436E-07 0.114336E-03    0.982943E+00
  84    0.293386E-05    0.732487E+02 -0.400534E-07 0.101150E-03    0.975809E+00
  85    0.751485E-05    0.710746E+02 -0.105732E-06 0.114336E-03    0.979485E+00
  86    0.900324E-05    0.700895E+02 -0.128454E-06 0.101150E-03    0.976529E+00
  87   -0.421332E-05    0.673586E+02  0.625506E-07 0.101150E-03    0.983274E+00
  88   -0.602816E-06    0.639503E+02  0.942631E-08 0.101150E-03    0.967272E+00
  89    0.791796E-05    0.624833E+02 -0.126721E-06 0.101150E-03    0.977849E+00
  90    0.328135E-05    0.596453E+02 -0.550143E-07 0.101150E-03    0.975826E+00
  91    0.119008E-05    0.583253E+02 -0.204042E-07 0.101150E-03    0.987717E+00
  92   -0.636580E-05    0.558784E+02  0.113922E-06 0.101150E-03    0.972610E+00
  93   -0.124314E-04    0.536898E+02  0.231541E-06 0.101150E-03    0.977812E+00
  94   -0.387425E-05    0.524644E+02  0.738452E-07 0.101150E-03    0.974162E+00
  95   -0.127852E-04    0.502440E+02  0.254461E-06 0.114336E-03    0.978870E+00
  96   -0.360865E-05    0.480782E+02  0.750580E-07 0.101150E-03    0.979468E+00
  97   -0.595824E-05    0.440106E+02  0.135382E-06 0.101150E-03    0.975666E+00
  98   -0.497993E-05    0.395475E+02  0.125923E-06 0.101150E-03    0.978310E+00
  99   -0.489147E-05    0.381326E+02  0.128275E-06 0.101150E-03    0.969803E+00
 100    0.122250E-04    0.359617E+02 -0.339945E-06 0.101150E-03    0.978817E+00
 101    0.286167E-04    0.343292E+02 -0.833596E-06 0.101150E-03    0.974334E+00
 102   -0.140056E-04    0.303586E+02  0.461339E-06 0.101150E-03    0.978924E+00
 103    0.982151E-05    0.290862E+02 -0.337669E-06 0.114336E-03    0.975913E+00
 104   -0.151919E-04    0.286735E+02  0.529823E-06 0.101150E-03    0.977683E+00
 105   -0.217706E-05    0.239070E+02  0.910638E-07 0.101150E-03    0.945605E+00
 106   -0.319567E-05    0.218435E+02  0.146298E-06 0.101150E-03    0.985155E+00
 107    0.264570E-04    0.198126E+02 -0.133536E-05 0.114336E-03    0.973500E+00
 108   -0.446681E-04    0.162537E+02  0.274819E-05 0.101150E-03    0.978953E+00
 109    0.264908E-04    0.140695E+02 -0.188286E-05 0.101150E-03    0.977536E+00
 110    0.402977E-05    0.130215E+02 -0.309470E-06 0.101150E-03    0.958928E+00
 111    0.290296E-04    0.120549E+02 -0.240810E-05 0.101150E-03    0.970358E+00
 112    0.201234E-04    0.925171E+01 -0.217510E-05 0.101150E-03    0.980945E+00
 113   -0.634711E-04    0.747130E+01  0.849532E-05 0.101150E-03    0.976363E+00
 114    0.708823E-01    0.462945E+01  0.400000E-03 0.400000E-03    0.475736E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1530756529E-01

 Beginning of optimization cycle   17.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4025249822
 potential> RMS force:                                               0.0068122357   |gradient|=.7273477398E-01
 Eigenvalues of the Hessian matrix:
   714.61276    668.95344    621.14029    601.51374    589.26351    562.11590 
   558.47360    476.97645    472.11270    464.42959    441.85608    432.65565 
   419.74294    404.82210    398.65628    387.90034    366.96507    364.84461 
   353.60419    346.91570    325.49877    323.71434    319.11334    314.98956 
   305.42428    287.26562    280.17140    272.17472    265.96063    261.65173 
   257.74191    253.39541    245.35463    240.31734    233.51929    228.27065 
   226.20567    213.42128    211.38359    209.91956    202.78635    199.00370 
   195.10712    191.79543    186.54586    179.40078    170.74047    168.09331 
   165.86124    160.77312    154.29024    151.09657    148.02053    142.15072 
   136.84276    134.38956    131.04234    127.73635    125.44448    123.89721 
   119.46246    118.08397    116.05609    113.13224    110.66293    105.89389 
   102.88968    100.84588     97.16975     94.97766     91.86447     90.20724 
    87.29022     84.42102     80.97391     78.97231     78.67988     73.24646 
    71.07786     70.08153     67.36249     63.94366     62.48246     59.64593 
    58.32807     55.87732     53.69045     52.46212     50.24506     48.07739 
    44.00669     39.55099     38.12545     35.96535     34.33217     30.34847 
    29.08493     28.67394     23.90114     21.84381     19.80721     16.25968 
    14.06633     13.01643     12.05116      9.25368      7.47343      4.63320 
overlap for current and previous eigenvector    109 is         0.9999911764
overlap for current and previous eigenvector    110 is         0.9999927212
overlap for current and previous eigenvector    111 is         0.9999939737
overlap for current and previous eigenvector    112 is         0.9999996349
overlap for current and previous eigenvector    113 is         0.9999992334
overlap for current and previous eigenvector    114 is         0.9999989515
J1,K1,R1,R2,RAT=   7   7   -0.3849990728E-02     2.003687018        0.9961500093    
FOB,PFOB,DIAG,PSTEP=    0.3199522467E-06    0.3187250582E-06     714.6127635       -0.4460472137E-09
J1,K1,R1,R2,RAT=   8   8    0.6439644108E-01     1.935537565        0.9355375654    
FOB,PFOB,DIAG,PSTEP=   -0.1083406872E-06   -0.1157979063E-06     668.9534446        0.1731087990E-09
J1,K1,R1,R2,RAT=   9   9   -0.2383255123E-01     2.023729651        0.9761674488    
FOB,PFOB,DIAG,PSTEP=    0.2563831245E-06    0.2504147940E-06     621.1402860       -0.4031741043E-09
J1,K1,R1,R2,RAT=  10  10   -0.8833201105E-02     2.008738078        0.9911667989    
FOB,PFOB,DIAG,PSTEP=    0.8500849689E-06    0.8426413940E-06     601.5137428       -0.1400934697E-08
J1,K1,R1,R2,RAT=  11  11   -0.5376479917E-02     2.005343574        0.9946235201    
FOB,PFOB,DIAG,PSTEP=   -0.7330553859E-06   -0.7291351410E-06     589.2635140        0.1237387213E-08
J1,K1,R1,R2,RAT= 109 109   -0.2181380230E-01     2.022262570        0.9781861977    
FOB,PFOB,DIAG,PSTEP=    0.2706855174E-04    0.2649081595E-04     14.06632870       -0.1882856127E-05
J1,K1,R1,R2,RAT= 110 110   -0.4070415513E-01     2.041484694        0.9592958449    
FOB,PFOB,DIAG,PSTEP=    0.4193733556E-05    0.4029769196E-05     13.01642682       -0.3094702692E-06
J1,K1,R1,R2,RAT= 111 111   -0.2894145338E-01     2.029570610        0.9710585466    
FOB,PFOB,DIAG,PSTEP=    0.2986946061E-04    0.2902956696E-04     12.05115821       -0.2408103624E-05
J1,K1,R1,R2,RAT= 112 112   -0.1832255592E-01     2.017895738        0.9816774441    
FOB,PFOB,DIAG,PSTEP=    0.2049219881E-04    0.2012340784E-04     9.253680492       -0.2175102468E-05
J1,K1,R1,R2,RAT= 113 113   -0.2296937783E-01     2.022398908        0.9770306222    
FOB,PFOB,DIAG,PSTEP=   -0.6492935751E-04   -0.6347105100E-04     7.473431787        0.8495315422E-05
J1,K1,R1,R2,RAT= 114 114    0.9995276459        -77.49342788        0.4723541489E-03
FOB,PFOB,DIAG,PSTEP=    0.7273469050E-01    0.7088228646E-01     4.633198611        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00001 
    -0.00000      0.00001      0.00000     -0.00000      0.00000      0.00001 
    -0.00001     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001      0.00001      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00001     -0.00000 
    -0.00001     -0.00001     -0.00001      0.00001      0.00003     -0.00001 
     0.00001     -0.00002     -0.00000     -0.00000      0.00003     -0.00005 
     0.00003      0.00000      0.00003      0.00002     -0.00006      0.07273 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4311600412
 Log product of positive Hessian eigenvalues =          520.5217763381
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6331986107
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000012
 Unscaled step for mode   12=       -0.0000000029
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000072
 Unscaled step for mode   15=       -0.0000000025
 Unscaled step for mode   16=       -0.0000000007
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000038
 Unscaled step for mode   19=       -0.0000000066
 Unscaled step for mode   20=       -0.0000000113
 Unscaled step for mode   21=       -0.0000000045
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000034
 Unscaled step for mode   25=        0.0000000092
 Unscaled step for mode   26=       -0.0000000127
 Unscaled step for mode   27=       -0.0000000097
 Unscaled step for mode   28=       -0.0000000082
 Unscaled step for mode   29=        0.0000000055
 Unscaled step for mode   30=        0.0000000066
 Unscaled step for mode   31=        0.0000000007
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000057
 Unscaled step for mode   34=       -0.0000000028
 Unscaled step for mode   35=       -0.0000000169
 Unscaled step for mode   36=       -0.0000000018
 Unscaled step for mode   37=        0.0000000071
 Unscaled step for mode   38=        0.0000000049
 Unscaled step for mode   39=        0.0000000128
 Unscaled step for mode   40=       -0.0000000016
 Unscaled step for mode   41=       -0.0000000035
 Unscaled step for mode   42=        0.0000000020
 Unscaled step for mode   43=       -0.0000000025
 Unscaled step for mode   44=       -0.0000000017
 Unscaled step for mode   45=        0.0000000062
 Unscaled step for mode   46=       -0.0000000045
 Unscaled step for mode   47=        0.0000000203
 Unscaled step for mode   48=        0.0000000050
 Unscaled step for mode   49=       -0.0000000097
 Unscaled step for mode   50=        0.0000000102
 Unscaled step for mode   51=        0.0000000093
 Unscaled step for mode   52=       -0.0000000018
 Unscaled step for mode   53=        0.0000000119
 Unscaled step for mode   54=        0.0000000019
 Unscaled step for mode   55=       -0.0000000227
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=       -0.0000000045
 Unscaled step for mode   58=        0.0000000205
 Unscaled step for mode   59=       -0.0000000110
 Unscaled step for mode   60=       -0.0000000188
 Unscaled step for mode   61=       -0.0000000160
 Unscaled step for mode   62=       -0.0000000558
 Unscaled step for mode   63=       -0.0000000355
 Unscaled step for mode   64=       -0.0000000048
 Unscaled step for mode   65=        0.0000000089
 Unscaled step for mode   66=        0.0000000379
 Unscaled step for mode   67=       -0.0000000040
 Unscaled step for mode   68=        0.0000000097
 Unscaled step for mode   69=       -0.0000000074
 Unscaled step for mode   70=       -0.0000000089
 Unscaled step for mode   71=       -0.0000000018
 Unscaled step for mode   72=       -0.0000000496
 Unscaled step for mode   73=        0.0000000083
 Unscaled step for mode   74=       -0.0000000677
 Unscaled step for mode   75=       -0.0000000303
 Unscaled step for mode   76=        0.0000000526
 Unscaled step for mode   77=       -0.0000000002
 Unscaled step for mode   78=       -0.0000000975
 Unscaled step for mode   79=        0.0000001347
 Unscaled step for mode   80=        0.0000000212
 Unscaled step for mode   81=       -0.0000000320
 Unscaled step for mode   82=       -0.0000000494
 Unscaled step for mode   83=       -0.0000000855
 Unscaled step for mode   84=       -0.0000000410
 Unscaled step for mode   85=        0.0000001078
 Unscaled step for mode   86=       -0.0000001314
 Unscaled step for mode   87=       -0.0000000636
 Unscaled step for mode   88=       -0.0000000097
 Unscaled step for mode   89=        0.0000001295
 Unscaled step for mode   90=       -0.0000000563
 Unscaled step for mode   91=       -0.0000000206
 Unscaled step for mode   92=        0.0000001170
 Unscaled step for mode   93=       -0.0000002365
 Unscaled step for mode   94=       -0.0000000757
 Unscaled step for mode   95=        0.0000002597
 Unscaled step for mode   96=        0.0000000766
 Unscaled step for mode   97=        0.0000001386
 Unscaled step for mode   98=        0.0000001286
 Unscaled step for mode   99=        0.0000001321
 Unscaled step for mode  100=       -0.0000003469
 Unscaled step for mode  101=       -0.0000008544
 Unscaled step for mode  102=        0.0000004709
 Unscaled step for mode  103=       -0.0000003456
 Unscaled step for mode  104=        0.0000005413
 Unscaled step for mode  105=        0.0000000959
 Unscaled step for mode  106=        0.0000001484
 Unscaled step for mode  107=       -0.0000013703
 Unscaled step for mode  108=        0.0000028032
 Unscaled step for mode  109=       -0.0000019244
 Unscaled step for mode  110=       -0.0000003222
 Unscaled step for mode  111=       -0.0000024786
 Unscaled step for mode  112=       -0.0000022145
 Unscaled step for mode  113=        0.0000086880
 Unscaled step for mode  114=        0.0156947242
 Largest modulus ratio of non-zero e/values=           154.2374553    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.431512E-16    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.358817E-15    0.100785E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.269261E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.850882E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.218761E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.207726E-15    0.973415E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.319952E-06    0.714613E+03 -0.447728E-09 0.911259E-04    0.996150E+00
   8   -0.108341E-06    0.668953E+03  0.161955E-09 0.911259E-04    0.935538E+00
   9    0.256383E-06    0.621140E+03 -0.412762E-09 0.911259E-04    0.976167E+00
  10    0.850085E-06    0.601514E+03 -0.141324E-08 0.911259E-04    0.991167E+00
  11   -0.733055E-06    0.589264E+03  0.124402E-08 0.911259E-04    0.994624E+00
  12    0.164619E-05    0.562116E+03 -0.292856E-08 0.911259E-04    0.990744E+00
  13    0.185923E-05    0.558474E+03 -0.332912E-08 0.911259E-04    0.995087E+00
  14   -0.344963E-05    0.476976E+03  0.723228E-08 0.103006E-03    0.990452E+00
  15    0.116530E-05    0.472113E+03 -0.246826E-08 0.911259E-04    0.992397E+00
  16    0.321829E-06    0.464430E+03 -0.692954E-09 0.911259E-04    0.981870E+00
  17    0.217903E-06    0.441856E+03 -0.493155E-09 0.103006E-03    0.973244E+00
  18    0.163832E-05    0.432656E+03 -0.378665E-08 0.911259E-04    0.988421E+00
  19    0.276967E-05    0.419743E+03 -0.659849E-08 0.911259E-04    0.986130E+00
  20    0.455802E-05    0.404822E+03 -0.112593E-07 0.911259E-04    0.989546E+00
  21    0.177710E-05    0.398656E+03 -0.445773E-08 0.911259E-04    0.983395E+00
  22   -0.945771E-06    0.387900E+03  0.243818E-08 0.911259E-04    0.997406E+00
  23   -0.163756E-05    0.366965E+03  0.446245E-08 0.911259E-04    0.992965E+00
  24    0.125102E-05    0.364845E+03 -0.342890E-08 0.911259E-04    0.989735E+00
  25   -0.326284E-05    0.353604E+03  0.922739E-08 0.911259E-04    0.985265E+00
  26    0.441204E-05    0.346916E+03 -0.127179E-07 0.911259E-04    0.983955E+00
  27    0.315443E-05    0.325499E+03 -0.969108E-08 0.911259E-04    0.984644E+00
  28    0.266539E-05    0.323714E+03 -0.823378E-08 0.911259E-04    0.986346E+00
  29   -0.176218E-05    0.319113E+03  0.552212E-08 0.911259E-04    0.976117E+00
  30   -0.208050E-05    0.314990E+03  0.660499E-08 0.911259E-04    0.987650E+00
  31   -0.206875E-06    0.305424E+03  0.677336E-09 0.103006E-03    0.945640E+00
  32    0.450141E-06    0.287266E+03 -0.156699E-08 0.911259E-04    0.999124E+00
  33    0.158496E-05    0.280171E+03 -0.565710E-08 0.911259E-04    0.983660E+00
  34    0.750480E-06    0.272175E+03 -0.275735E-08 0.103006E-03    0.988287E+00
  35    0.450688E-05    0.265961E+03 -0.169457E-07 0.911259E-04    0.982615E+00
  36    0.461170E-06    0.261652E+03 -0.176254E-08 0.911259E-04    0.981926E+00
  37   -0.182188E-05    0.257742E+03  0.706861E-08 0.911259E-04    0.982242E+00
  38   -0.124941E-05    0.253395E+03  0.493069E-08 0.911259E-04    0.984336E+00
  39   -0.314013E-05    0.245355E+03  0.127983E-07 0.911259E-04    0.981992E+00
  40    0.382296E-06    0.240317E+03 -0.159080E-08 0.911259E-04    0.947868E+00
  41    0.828542E-06    0.233519E+03 -0.354807E-08 0.911259E-04    0.967820E+00
  42   -0.449289E-06    0.228271E+03  0.196823E-08 0.911259E-04    0.969776E+00
  43    0.555499E-06    0.226206E+03 -0.245573E-08 0.911259E-04    0.980529E+00
  44    0.361885E-06    0.213421E+03 -0.169564E-08 0.911259E-04    0.984285E+00
  45   -0.131300E-05    0.211384E+03  0.621147E-08 0.911259E-04    0.973560E+00
  46    0.950489E-06    0.209920E+03 -0.452787E-08 0.911259E-04    0.981265E+00
  47   -0.412036E-05    0.202786E+03  0.203187E-07 0.911259E-04    0.979876E+00
  48   -0.987499E-06    0.199004E+03  0.496221E-08 0.911259E-04    0.988445E+00
  49    0.189919E-05    0.195107E+03 -0.973407E-08 0.103006E-03    0.977979E+00
  50   -0.196309E-05    0.191795E+03  0.102353E-07 0.911259E-04    0.982135E+00
  51   -0.174206E-05    0.186546E+03  0.933852E-08 0.911259E-04    0.980561E+00
  52    0.328049E-06    0.179401E+03 -0.182858E-08 0.911259E-04    0.986262E+00
  53   -0.203248E-05    0.170740E+03  0.119039E-07 0.911259E-04    0.980886E+00
  54   -0.320265E-06    0.168093E+03  0.190528E-08 0.911259E-04    0.961996E+00
  55    0.376667E-05    0.165861E+03 -0.227098E-07 0.911259E-04    0.981174E+00
  56    0.145485E-05    0.160773E+03 -0.904906E-08 0.911259E-04    0.982789E+00
  57    0.698318E-06    0.154290E+03 -0.452600E-08 0.911259E-04    0.983206E+00
  58   -0.309882E-05    0.151097E+03  0.205089E-07 0.911259E-04    0.982532E+00
  59    0.162716E-05    0.148021E+03 -0.109928E-07 0.103006E-03    0.976704E+00
  60    0.266796E-05    0.142151E+03 -0.187685E-07 0.911259E-04    0.977311E+00
  61    0.218758E-05    0.136843E+03 -0.159861E-07 0.911259E-04    0.980946E+00
  62    0.749647E-05    0.134390E+03 -0.557816E-07 0.911259E-04    0.981366E+00
  63    0.464900E-05    0.131042E+03 -0.354771E-07 0.911259E-04    0.981372E+00
  64    0.616955E-06    0.127736E+03 -0.482991E-08 0.911259E-04    0.977454E+00
  65   -0.111334E-05    0.125444E+03  0.887519E-08 0.911259E-04    0.984214E+00
  66   -0.470181E-05    0.123897E+03  0.379493E-07 0.911259E-04    0.980198E+00
  67    0.479975E-06    0.119462E+03 -0.401779E-08 0.911259E-04    0.985056E+00
  68   -0.114787E-05    0.118084E+03  0.972080E-08 0.911259E-04    0.978843E+00
  69    0.857065E-06    0.116056E+03 -0.738492E-08 0.911259E-04    0.991132E+00
  70    0.101195E-05    0.113132E+03 -0.894487E-08 0.911259E-04    0.961278E+00
  71    0.204704E-06    0.110663E+03 -0.184979E-08 0.911259E-04    0.983645E+00
  72    0.524886E-05    0.105894E+03 -0.495672E-07 0.103006E-03    0.978958E+00
  73   -0.851120E-06    0.102890E+03  0.827216E-08 0.911259E-04    0.962099E+00
  74    0.683051E-05    0.100846E+03 -0.677322E-07 0.911259E-04    0.979060E+00
  75    0.294201E-05    0.971698E+02 -0.302770E-07 0.911259E-04    0.974045E+00
  76   -0.499375E-05    0.949777E+02  0.525782E-07 0.911259E-04    0.977824E+00
  77    0.140238E-07    0.918645E+02 -0.152657E-09 0.103006E-03    0.815194E+00
  78    0.879382E-05    0.902072E+02 -0.974846E-07 0.911259E-04    0.976736E+00
  79   -0.117621E-04    0.872902E+02  0.134747E-06 0.911259E-04    0.979320E+00
  80   -0.178558E-05    0.844210E+02  0.211509E-07 0.911259E-04    0.974286E+00
  81    0.259027E-05    0.809739E+02 -0.319890E-07 0.911259E-04    0.975765E+00
  82    0.389919E-05    0.789723E+02 -0.493741E-07 0.911259E-04    0.973910E+00
  83    0.672927E-05    0.786799E+02 -0.855272E-07 0.103006E-03    0.983529E+00
  84    0.300343E-05    0.732465E+02 -0.410044E-07 0.911259E-04    0.976287E+00
  85   -0.766567E-05    0.710779E+02  0.107849E-06 0.103006E-03    0.979931E+00
  86    0.920978E-05    0.700815E+02 -0.131415E-06 0.911259E-04    0.977057E+00
  87    0.428154E-05    0.673625E+02 -0.635597E-07 0.911259E-04    0.983809E+00
  88    0.621848E-06    0.639437E+02 -0.972494E-08 0.911259E-04    0.968423E+00
  89   -0.808945E-05    0.624825E+02  0.129467E-06 0.911259E-04    0.978342E+00
  90    0.335897E-05    0.596459E+02 -0.563152E-07 0.911259E-04    0.976345E+00
  91    0.120403E-05    0.583281E+02 -0.206424E-07 0.911259E-04    0.988282E+00
  92   -0.653676E-05    0.558773E+02  0.116984E-06 0.911259E-04    0.973143E+00
  93    0.127005E-04    0.536905E+02 -0.236550E-06 0.911259E-04    0.978354E+00
  94    0.397232E-05    0.524621E+02 -0.757179E-07 0.911259E-04    0.974684E+00
  95   -0.130483E-04    0.502451E+02  0.259694E-06 0.103006E-03    0.979417E+00
  96   -0.368080E-05    0.480774E+02  0.765599E-07 0.911259E-04    0.980007E+00
  97   -0.609984E-05    0.440067E+02  0.138612E-06 0.911259E-04    0.976232E+00
  98   -0.508524E-05    0.395510E+02  0.128574E-06 0.911259E-04    0.978853E+00
  99   -0.503620E-05    0.381254E+02  0.132096E-06 0.911259E-04    0.970406E+00
 100    0.124773E-04    0.359653E+02 -0.346926E-06 0.911259E-04    0.979364E+00
 101    0.293334E-04    0.343322E+02 -0.854399E-06 0.911259E-04    0.974957E+00
 102   -0.142925E-04    0.303485E+02  0.470946E-06 0.911259E-04    0.979510E+00
 103    0.100522E-04    0.290849E+02 -0.345616E-06 0.103006E-03    0.976509E+00
 104   -0.155216E-04    0.286739E+02  0.541315E-06 0.911259E-04    0.978294E+00
 105   -0.229185E-05    0.239011E+02  0.958888E-07 0.911259E-04    0.947260E+00
 106   -0.324064E-05    0.218438E+02  0.148355E-06 0.911259E-04    0.985929E+00
 107    0.271411E-04    0.198072E+02 -0.137026E-05 0.103006E-03    0.974138E+00
 108   -0.455789E-04    0.162597E+02  0.280318E-05 0.911259E-04    0.979618E+00
 109    0.270686E-04    0.140663E+02 -0.192435E-05 0.911259E-04    0.978186E+00
 110    0.419373E-05    0.130164E+02 -0.322188E-06 0.911259E-04    0.959296E+00
 111    0.298695E-04    0.120512E+02 -0.247856E-05 0.911259E-04    0.971059E+00
 112    0.204922E-04    0.925368E+01 -0.221449E-05 0.911259E-04    0.981677E+00
 113   -0.649294E-04    0.747343E+01  0.868802E-05 0.911259E-04    0.977031E+00
 114    0.727347E-01    0.463320E+01  0.400000E-03 0.400000E-03    0.472354E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1569472416E-01

 Beginning of optimization cycle   18.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4024955181
 potential> RMS force:                                               0.0069858687   |gradient|=.7458866651E-01
 Eigenvalues of the Hessian matrix:
   714.67100    668.97546    621.17211    601.54220    589.27307    562.14148 
   558.51005    476.98818    472.09160    464.41600    441.85080    432.64349 
   419.74970    404.83179    398.65310    387.90727    366.96347    364.83373 
   353.59173    346.87550    325.46410    323.71860    319.11115    315.01169 
   305.42442    287.26543    280.16965    272.16610    265.95692    261.65518 
   257.73846    253.39379    245.33817    240.30738    233.52597    228.27306 
   226.18784    213.40977    211.37652    209.92456    202.78704    198.99833 
   195.10923    191.79260    186.54769    179.38626    170.73809    168.09510 
   165.85982    160.77204    154.28227    151.09580    148.02690    142.15641 
   136.84377    134.39258    131.04240    127.73592    125.44756    123.90633 
   119.46127    118.08154    116.06011    113.12790    110.65928    105.88992 
   102.88810    100.84213     97.17155     94.97831     91.85737     90.21115 
    87.29958     84.42094     80.97184     78.97215     78.68204     73.24415 
    71.08109     70.07353     67.36640     63.93704     62.48159     59.64652 
    58.33080     55.87627     53.69107     52.45983     50.24611     48.07654 
    44.00276     39.55448     38.11827     35.96895     34.33523     30.33838 
    29.08366     28.67441     23.89531     21.84410     19.80186     16.26566 
    14.06318     13.01133     12.04732      9.25566      7.47554      4.63690 
overlap for current and previous eigenvector    109 is        -0.9999911981
overlap for current and previous eigenvector    110 is         0.9999926546
overlap for current and previous eigenvector    111 is         0.9999938426
overlap for current and previous eigenvector    112 is         0.9999996358
overlap for current and previous eigenvector    113 is         0.9999992365
overlap for current and previous eigenvector    114 is         0.9999989562
J1,K1,R1,R2,RAT=   7   7   -0.3624339910E-02     2.003461354        0.9963756601    
FOB,PFOB,DIAG,PSTEP=    0.3211119569E-06    0.3199522467E-06     714.6710042       -0.4477281446E-09
J1,K1,R1,R2,RAT=   8   8    0.6982590580E-01     1.930108264        0.9301082640    
FOB,PFOB,DIAG,PSTEP=   -0.1007754516E-06   -0.1083406872E-06     668.9754640        0.1619554964E-09
J1,K1,R1,R2,RAT=   9   9   -0.2332323513E-01     2.023220775        0.9766767649    
FOB,PFOB,DIAG,PSTEP=    0.2623631147E-06    0.2563831245E-06     621.1721087       -0.4127620285E-09
J1,K1,R1,R2,RAT=  10  10   -0.8704398710E-02     2.008609774        0.9912956013    
FOB,PFOB,DIAG,PSTEP=    0.8574847975E-06    0.8500849689E-06     601.5422033       -0.1413242805E-08
J1,K1,R1,R2,RAT=  11  11   -0.5285734536E-02     2.005253300        0.9947142655    
FOB,PFOB,DIAG,PSTEP=   -0.7369301849E-06   -0.7330553859E-06     589.2730704        0.1244019642E-08
J1,K1,R1,R2,RAT= 109 109     2.021642050       -0.2119473511E-01    0.9788052649    
FOB,PFOB,DIAG,PSTEP=   -0.2764213423E-04    0.2706855174E-04     14.06318336       -0.1924350861E-05
J1,K1,R1,R2,RAT= 110 110   -0.4035476712E-01     2.041138725        0.9596452329    
FOB,PFOB,DIAG,PSTEP=    0.4362904386E-05    0.4193733556E-05     13.01132666       -0.3221877719E-06
J1,K1,R1,R2,RAT= 111 111   -0.2827268163E-01     2.028909408        0.9717273184    
FOB,PFOB,DIAG,PSTEP=    0.3071368159E-04    0.2986946061E-04     12.04732278       -0.2478555180E-05
J1,K1,R1,R2,RAT= 112 112   -0.1762252460E-01     2.017195473        0.9823774754    
FOB,PFOB,DIAG,PSTEP=    0.2085340022E-04    0.2049219881E-04     9.255656813       -0.2214491718E-05
J1,K1,R1,R2,RAT= 113 113   -0.2233390109E-01     2.021769743        0.9776660989    
FOB,PFOB,DIAG,PSTEP=   -0.6637989252E-04   -0.6492935751E-04     7.475540480        0.8688024372E-05
J1,K1,R1,R2,RAT= 114 114    0.9995310282        -79.42979615        0.4689718386E-03
FOB,PFOB,DIAG,PSTEP=    0.7458858147E-01    0.7273469050E-01     4.636901991        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00001     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00001 
     0.00000     -0.00001     -0.00000      0.00001      0.00000      0.00001 
    -0.00001      0.00000      0.00000      0.00000      0.00001     -0.00000 
     0.00001     -0.00001     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00000      0.00001      0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00001     -0.00001      0.00001     -0.00003     -0.00001 
    -0.00001     -0.00002     -0.00000     -0.00000      0.00003      0.00005 
    -0.00003      0.00000      0.00003      0.00002     -0.00007      0.07459 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4312567850
 Log product of positive Hessian eigenvalues =          520.5212827432
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6369019914
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000030
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000073
 Unscaled step for mode   15=       -0.0000000025
 Unscaled step for mode   16=       -0.0000000007
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000038
 Unscaled step for mode   19=       -0.0000000067
 Unscaled step for mode   20=       -0.0000000114
 Unscaled step for mode   21=       -0.0000000045
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000035
 Unscaled step for mode   25=        0.0000000094
 Unscaled step for mode   26=       -0.0000000129
 Unscaled step for mode   27=       -0.0000000098
 Unscaled step for mode   28=       -0.0000000083
 Unscaled step for mode   29=        0.0000000057
 Unscaled step for mode   30=        0.0000000067
 Unscaled step for mode   31=        0.0000000007
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000057
 Unscaled step for mode   34=       -0.0000000028
 Unscaled step for mode   35=       -0.0000000172
 Unscaled step for mode   36=       -0.0000000018
 Unscaled step for mode   37=        0.0000000072
 Unscaled step for mode   38=        0.0000000050
 Unscaled step for mode   39=        0.0000000130
 Unscaled step for mode   40=       -0.0000000017
 Unscaled step for mode   41=       -0.0000000037
 Unscaled step for mode   42=        0.0000000020
 Unscaled step for mode   43=       -0.0000000025
 Unscaled step for mode   44=       -0.0000000017
 Unscaled step for mode   45=        0.0000000064
 Unscaled step for mode   46=       -0.0000000046
 Unscaled step for mode   47=        0.0000000207
 Unscaled step for mode   48=        0.0000000050
 Unscaled step for mode   49=       -0.0000000099
 Unscaled step for mode   50=        0.0000000104
 Unscaled step for mode   51=        0.0000000095
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000121
 Unscaled step for mode   54=        0.0000000020
 Unscaled step for mode   55=       -0.0000000231
 Unscaled step for mode   56=       -0.0000000092
 Unscaled step for mode   57=        0.0000000046
 Unscaled step for mode   58=        0.0000000209
 Unscaled step for mode   59=       -0.0000000112
 Unscaled step for mode   60=       -0.0000000192
 Unscaled step for mode   61=       -0.0000000163
 Unscaled step for mode   62=       -0.0000000568
 Unscaled step for mode   63=        0.0000000361
 Unscaled step for mode   64=       -0.0000000049
 Unscaled step for mode   65=       -0.0000000090
 Unscaled step for mode   66=       -0.0000000387
 Unscaled step for mode   67=        0.0000000041
 Unscaled step for mode   68=        0.0000000099
 Unscaled step for mode   69=       -0.0000000074
 Unscaled step for mode   70=        0.0000000093
 Unscaled step for mode   71=        0.0000000019
 Unscaled step for mode   72=       -0.0000000506
 Unscaled step for mode   73=       -0.0000000086
 Unscaled step for mode   74=        0.0000000691
 Unscaled step for mode   75=        0.0000000310
 Unscaled step for mode   76=       -0.0000000537
 Unscaled step for mode   77=       -0.0000000001
 Unscaled step for mode   78=       -0.0000000997
 Unscaled step for mode   79=        0.0000001375
 Unscaled step for mode   80=       -0.0000000217
 Unscaled step for mode   81=       -0.0000000328
 Unscaled step for mode   82=       -0.0000000506
 Unscaled step for mode   83=       -0.0000000869
 Unscaled step for mode   84=        0.0000000420
 Unscaled step for mode   85=       -0.0000001100
 Unscaled step for mode   86=        0.0000001344
 Unscaled step for mode   87=        0.0000000646
 Unscaled step for mode   88=        0.0000000100
 Unscaled step for mode   89=       -0.0000001322
 Unscaled step for mode   90=        0.0000000576
 Unscaled step for mode   91=        0.0000000209
 Unscaled step for mode   92=       -0.0000001201
 Unscaled step for mode   93=       -0.0000002415
 Unscaled step for mode   94=       -0.0000000776
 Unscaled step for mode   95=        0.0000002649
 Unscaled step for mode   96=        0.0000000781
 Unscaled step for mode   97=       -0.0000001418
 Unscaled step for mode   98=        0.0000001312
 Unscaled step for mode   99=        0.0000001360
 Unscaled step for mode  100=       -0.0000003539
 Unscaled step for mode  101=        0.0000008752
 Unscaled step for mode  102=        0.0000004805
 Unscaled step for mode  103=        0.0000003536
 Unscaled step for mode  104=        0.0000005527
 Unscaled step for mode  105=        0.0000001008
 Unscaled step for mode  106=        0.0000001503
 Unscaled step for mode  107=       -0.0000014052
 Unscaled step for mode  108=       -0.0000028575
 Unscaled step for mode  109=        0.0000019656
 Unscaled step for mode  110=       -0.0000003353
 Unscaled step for mode  111=       -0.0000025494
 Unscaled step for mode  112=       -0.0000022530
 Unscaled step for mode  113=        0.0000088796
 Unscaled step for mode  114=        0.0160817053
 Largest modulus ratio of non-zero e/values=           154.1268298    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.477374E-15    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.101850E-14    0.100785E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.465812E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.791034E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.905878E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.379220E-15    0.973416E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.321112E-06    0.714671E+03 -0.449314E-09 0.820954E-04    0.996376E+00
   8   -0.100775E-06    0.668975E+03  0.150641E-09 0.820954E-04    0.930108E+00
   9    0.262363E-06    0.621172E+03 -0.422368E-09 0.820954E-04    0.976677E+00
  10    0.857485E-06    0.601542E+03 -0.142548E-08 0.820954E-04    0.991296E+00
  11   -0.736930E-06    0.589273E+03  0.125058E-08 0.820954E-04    0.994714E+00
  12    0.166126E-05    0.562141E+03 -0.295524E-08 0.820954E-04    0.990845E+00
  13    0.186812E-05    0.558510E+03 -0.334483E-08 0.820954E-04    0.995218E+00
  14   -0.348208E-05    0.476988E+03  0.730015E-08 0.927979E-04    0.990592E+00
  15    0.117404E-05    0.472092E+03 -0.248689E-08 0.820954E-04    0.992498E+00
  16    0.327643E-06    0.464416E+03 -0.705495E-09 0.820954E-04    0.981932E+00
  17    0.223665E-06    0.441851E+03 -0.506200E-09 0.927979E-04    0.973559E+00
  18    0.165706E-05    0.432643E+03 -0.383007E-08 0.820954E-04    0.988561E+00
  19    0.280767E-05    0.419750E+03 -0.668891E-08 0.820954E-04    0.986280E+00
  20    0.460495E-05    0.404832E+03 -0.113750E-07 0.820954E-04    0.989703E+00
  21    0.180622E-05    0.398653E+03 -0.453082E-08 0.820954E-04    0.983611E+00
  22   -0.947993E-06    0.387907E+03  0.244386E-08 0.820954E-04    0.997651E+00
  23   -0.164881E-05    0.366963E+03  0.449311E-08 0.820954E-04    0.993134E+00
  24    0.126362E-05    0.364834E+03 -0.346356E-08 0.820954E-04    0.989921E+00
  25   -0.331036E-05    0.353592E+03  0.936209E-08 0.820954E-04    0.985437E+00
  26    0.448206E-05    0.346875E+03 -0.129212E-07 0.820954E-04    0.984129E+00
  27    0.320218E-05    0.325464E+03 -0.983882E-08 0.820954E-04    0.984862E+00
  28    0.270124E-05    0.323719E+03 -0.834440E-08 0.820954E-04    0.986551E+00
  29   -0.180382E-05    0.319111E+03  0.565265E-08 0.820954E-04    0.976369E+00
  30   -0.210590E-05    0.315012E+03  0.668514E-08 0.820954E-04    0.987796E+00
  31   -0.217758E-06    0.305424E+03  0.712969E-09 0.927979E-04    0.947391E+00
  32    0.450363E-06    0.287265E+03 -0.156776E-08 0.820954E-04    0.999507E+00
  33    0.161050E-05    0.280170E+03 -0.574831E-08 0.820954E-04    0.983882E+00
  34    0.759169E-06    0.272166E+03 -0.278936E-08 0.927979E-04    0.988422E+00
  35    0.458416E-05    0.265957E+03 -0.172365E-07 0.820954E-04    0.982852E+00
  36    0.469475E-06    0.261655E+03 -0.179425E-08 0.820954E-04    0.981992E+00
  37   -0.185381E-05    0.257738E+03  0.719260E-08 0.820954E-04    0.982471E+00
  38   -0.126868E-05    0.253394E+03  0.500676E-08 0.820954E-04    0.984578E+00
  39   -0.319593E-05    0.245338E+03  0.130266E-07 0.820954E-04    0.982230E+00
  40    0.401704E-06    0.240307E+03 -0.167162E-08 0.820954E-04    0.949232E+00
  41    0.854806E-06    0.233526E+03 -0.366043E-08 0.820954E-04    0.968302E+00
  42   -0.462660E-06    0.228273E+03  0.202678E-08 0.820954E-04    0.970239E+00
  43    0.566190E-06    0.226188E+03 -0.250318E-08 0.820954E-04    0.980754E+00
  44    0.355619E-06    0.213410E+03 -0.166637E-08 0.820954E-04    0.982683E+00
  45   -0.134708E-05    0.211377E+03  0.637291E-08 0.820954E-04    0.974041E+00
  46    0.968338E-06    0.209925E+03 -0.461279E-08 0.820954E-04    0.981221E+00
  47   -0.420210E-05    0.202787E+03  0.207217E-07 0.820954E-04    0.980164E+00
  48   -0.998540E-06    0.198998E+03  0.501783E-08 0.820954E-04    0.988819E+00
  49    0.194045E-05    0.195109E+03 -0.994545E-08 0.927979E-04    0.978274E+00
  50   -0.199758E-05    0.191793E+03  0.104153E-07 0.820954E-04    0.982429E+00
  51   -0.177538E-05    0.186548E+03  0.951703E-08 0.820954E-04    0.980875E+00
  52    0.332438E-06    0.179386E+03 -0.185320E-08 0.820954E-04    0.986620E+00
  53   -0.207065E-05    0.170738E+03  0.121276E-07 0.820954E-04    0.981220E+00
  54   -0.332263E-06    0.168095E+03  0.197664E-08 0.820954E-04    0.962537E+00
  55    0.383638E-05    0.165860E+03 -0.231302E-07 0.820954E-04    0.981494E+00
  56    0.147944E-05    0.160772E+03 -0.920211E-08 0.820954E-04    0.983094E+00
  57   -0.709816E-06    0.154282E+03  0.460076E-08 0.820954E-04    0.983533E+00
  58   -0.315196E-05    0.151096E+03  0.208607E-07 0.820954E-04    0.982851E+00
  59    0.166442E-05    0.148027E+03 -0.112440E-07 0.927979E-04    0.977104E+00
  60    0.272742E-05    0.142156E+03 -0.191861E-07 0.820954E-04    0.977711E+00
  61    0.222853E-05    0.136844E+03 -0.162852E-07 0.820954E-04    0.981278E+00
  62    0.763350E-05    0.134393E+03 -0.568000E-07 0.820954E-04    0.981721E+00
  63   -0.473397E-05    0.131042E+03  0.361255E-07 0.820954E-04    0.981723E+00
  64    0.630675E-06    0.127736E+03 -0.493733E-08 0.820954E-04    0.977762E+00
  65    0.113041E-05    0.125448E+03 -0.901105E-08 0.820954E-04    0.984668E+00
  66    0.479322E-05    0.123906E+03 -0.386842E-07 0.820954E-04    0.980561E+00
  67   -0.486995E-06    0.119461E+03  0.407659E-08 0.820954E-04    0.985374E+00
  68   -0.117173E-05    0.118082E+03  0.992304E-08 0.820954E-04    0.979216E+00
  69    0.864255E-06    0.116060E+03 -0.744661E-08 0.820954E-04    0.991611E+00
  70   -0.105031E-05    0.113128E+03  0.928426E-08 0.820954E-04    0.962095E+00
  71   -0.207935E-06    0.110659E+03  0.187905E-08 0.820954E-04    0.984215E+00
  72    0.535728E-05    0.105890E+03 -0.505929E-07 0.927979E-04    0.979344E+00
  73    0.882836E-06    0.102888E+03 -0.858054E-08 0.820954E-04    0.962735E+00
  74   -0.697073E-05    0.100842E+03  0.691252E-07 0.820954E-04    0.979471E+00
  75   -0.301712E-05    0.971715E+02  0.310495E-07 0.820954E-04    0.974470E+00
  76    0.510243E-05    0.949783E+02 -0.537221E-07 0.820954E-04    0.978236E+00
  77    0.107378E-07    0.918574E+02 -0.116896E-09 0.927979E-04    0.765667E+00
  78    0.899461E-05    0.902111E+02 -0.997062E-07 0.820954E-04    0.977168E+00
  79   -0.120000E-04    0.872996E+02  0.137458E-06 0.820954E-04    0.979774E+00
  80    0.183073E-05    0.844209E+02 -0.216857E-07 0.820954E-04    0.974716E+00
  81    0.265183E-05    0.809718E+02 -0.327500E-07 0.820954E-04    0.976235E+00
  82    0.399985E-05    0.789721E+02 -0.506489E-07 0.820954E-04    0.974184E+00
  83    0.683626E-05    0.786820E+02 -0.868847E-07 0.927979E-04    0.984101E+00
  84   -0.307327E-05    0.732442E+02  0.419593E-07 0.820954E-04    0.976745E+00
  85    0.781624E-05    0.710811E+02 -0.109962E-06 0.927979E-04    0.980358E+00
  86   -0.941640E-05    0.700735E+02  0.134379E-06 0.820954E-04    0.977563E+00
  87   -0.434866E-05    0.673664E+02  0.645524E-07 0.820954E-04    0.984324E+00
  88   -0.640790E-06    0.639370E+02  0.100222E-07 0.820954E-04    0.969537E+00
  89    0.826082E-05    0.624816E+02 -0.132212E-06 0.820954E-04    0.978814E+00
  90   -0.343676E-05    0.596465E+02  0.576188E-07 0.820954E-04    0.976842E+00
  91   -0.121749E-05    0.583308E+02  0.208721E-07 0.820954E-04    0.988826E+00
  92    0.670897E-05    0.558763E+02 -0.120068E-06 0.820954E-04    0.973655E+00
  93    0.129688E-04    0.536911E+02 -0.241545E-06 0.820954E-04    0.978874E+00
  94    0.407089E-05    0.524598E+02 -0.776001E-07 0.820954E-04    0.975185E+00
  95   -0.133101E-04    0.502461E+02  0.264898E-06 0.927979E-04    0.979940E+00
  96   -0.375250E-05    0.480765E+02  0.780526E-07 0.820954E-04    0.980522E+00
  97    0.624151E-05    0.440028E+02 -0.141844E-06 0.820954E-04    0.976774E+00
  98   -0.519016E-05    0.395545E+02  0.131215E-06 0.820954E-04    0.979371E+00
  99   -0.518232E-05    0.381183E+02  0.135954E-06 0.820954E-04    0.970982E+00
 100    0.127283E-04    0.359690E+02 -0.353869E-06 0.820954E-04    0.979886E+00
 101   -0.300506E-04    0.343352E+02  0.875211E-06 0.820954E-04    0.975552E+00
 102   -0.145773E-04    0.303384E+02  0.480490E-06 0.820954E-04    0.980067E+00
 103   -0.102826E-04    0.290837E+02  0.353553E-06 0.927979E-04    0.977078E+00
 104   -0.158495E-04    0.286744E+02  0.552740E-06 0.820954E-04    0.978877E+00
 105   -0.240911E-05    0.238953E+02  0.100819E-06 0.820954E-04    0.948824E+00
 106   -0.328382E-05    0.218441E+02  0.150330E-06 0.820954E-04    0.986675E+00
 107    0.278263E-04    0.198019E+02 -0.140524E-05 0.927979E-04    0.974746E+00
 108    0.464793E-04    0.162657E+02 -0.285751E-05 0.820954E-04    0.980253E+00
 109   -0.276421E-04    0.140632E+02  0.196557E-05 0.820954E-04    0.978805E+00
 110    0.436290E-05    0.130113E+02 -0.335316E-06 0.820954E-04    0.959645E+00
 111    0.307137E-04    0.120473E+02 -0.254942E-05 0.820954E-04    0.971727E+00
 112    0.208534E-04    0.925566E+01 -0.225304E-05 0.820954E-04    0.982377E+00
 113   -0.663799E-04    0.747554E+01  0.887961E-05 0.820954E-04    0.977666E+00
 114    0.745886E-01    0.463690E+01  0.400000E-03 0.400000E-03    0.468972E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1608170529E-01

 Beginning of optimization cycle   19.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4024653122
 potential> RMS force:                                               0.0071596394   |gradient|=.7644402969E-01
 Eigenvalues of the Hessian matrix:
   714.72925    668.99743    621.20380    601.57052    589.28249    562.16702 
   558.54653    476.99996    472.07047    464.40244    441.84555    432.63135 
   419.75649    404.84151    398.64992    387.91418    366.96191    364.82284 
   353.57931    346.83528    325.42948    323.72289    319.10892    315.03378 
   305.42455    287.26525    280.16787    272.15751    265.95324    261.65870 
   257.73509    253.39222    245.32171    240.29744    233.53269    228.27548 
   226.17001    213.39834    211.36949    209.92950    202.78775    198.99296 
   195.11138    191.78979    186.54943    179.37172    170.73574    168.09686 
   165.85839    160.77094    154.27432    151.09505    148.03329    142.16209 
   136.84477    134.39562    131.04245    127.73547    125.45064    123.91543 
   119.46010    118.07913    116.06414    113.12350    110.65557    105.88594 
   102.88653    100.83837     97.17332     94.97896     91.85029     90.21507 
    87.30897     84.42088     80.96979     78.97199     78.68419     73.24184 
    71.08431     70.06553     67.37032     63.93044     62.48068     59.64710 
    58.33355     55.87521     53.69165     52.45755     50.24716     48.07569 
    43.99880     39.55797     38.11106     35.97253     34.33836     30.32829 
    29.08239     28.67489     23.88949     21.84441     19.79657     16.27161 
    14.06005     13.00621     12.04344      9.25763      7.47763      4.64056 
overlap for current and previous eigenvector    109 is         0.9999912216
overlap for current and previous eigenvector    110 is         0.9999925871
overlap for current and previous eigenvector    111 is         0.9999937092
overlap for current and previous eigenvector    112 is         0.9999996367
overlap for current and previous eigenvector    113 is         0.9999992396
overlap for current and previous eigenvector    114 is         0.9999989608
J1,K1,R1,R2,RAT=   7   7   -0.3399068266E-02     2.003236069        0.9966009317    
FOB,PFOB,DIAG,PSTEP=    0.3222035274E-06    0.3211119569E-06     714.7292546       -0.4493143769E-09
J1,K1,R1,R2,RAT=   8   8    0.7613292075E-01     1.923801413        0.9238014130    
FOB,PFOB,DIAG,PSTEP=   -0.9310287019E-07   -0.1007754516E-06     668.9974293        0.1506414764E-09
J1,K1,R1,R2,RAT=   9   9   -0.2283233681E-01     2.022730315        0.9771676632    
FOB,PFOB,DIAG,PSTEP=    0.2683537833E-06    0.2623631147E-06     621.2037967       -0.4223678286E-09
J1,K1,R1,R2,RAT=  10  10   -0.8577588965E-02     2.008483460        0.9914224110    
FOB,PFOB,DIAG,PSTEP=    0.8648402958E-06    0.8574847975E-06     601.5705158       -0.1425477369E-08
J1,K1,R1,R2,RAT=  11  11   -0.5196228230E-02     2.005164263        0.9948037718    
FOB,PFOB,DIAG,PSTEP=   -0.7407595036E-06   -0.7369301849E-06     589.2824888        0.1250575025E-08
J1,K1,R1,R2,RAT= 109 109   -0.2060473219E-01     2.021050540        0.9793952678    
FOB,PFOB,DIAG,PSTEP=   -0.2821156608E-04   -0.2764213423E-04     14.06004932        0.1965567363E-05
J1,K1,R1,R2,RAT= 110 110   -0.4002145133E-01     2.040808734        0.9599785487    
FOB,PFOB,DIAG,PSTEP=    0.4537445445E-05    0.4362904386E-05     13.00620688       -0.3353158752E-06
J1,K1,R1,R2,RAT= 111 111   -0.2763333677E-01     2.028277754        0.9723666632    
FOB,PFOB,DIAG,PSTEP=    0.3156212972E-04    0.3071368159E-04     12.04344228       -0.2549419663E-05
J1,K1,R1,R2,RAT= 112 112   -0.1695214692E-01     2.016524875        0.9830478531    
FOB,PFOB,DIAG,PSTEP=    0.2120698566E-04    0.2085340022E-04     9.257634576       -0.2253043802E-05
J1,K1,R1,R2,RAT= 113 113   -0.2172845342E-01     2.021170555        0.9782715466    
FOB,PFOB,DIAG,PSTEP=   -0.6782262737E-04   -0.6637989252E-04     7.477626359        0.8879611139E-05
J1,K1,R1,R2,RAT= 114 114    0.9995344104        -81.36538053        0.4655895770E-03
FOB,PFOB,DIAG,PSTEP=    0.7644394310E-01    0.7458858147E-01     4.640564684        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00001     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00001 
     0.00000     -0.00001     -0.00000      0.00001      0.00000      0.00001 
    -0.00001      0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00001      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00000      0.00001      0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00001     -0.00001      0.00001     -0.00003     -0.00001 
    -0.00001     -0.00002     -0.00000     -0.00000      0.00003      0.00005 
    -0.00003      0.00000      0.00003      0.00002     -0.00007      0.07644 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4313533938
 Log product of positive Hessian eigenvalues =          520.5207733226
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6405646844
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000030
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000074
 Unscaled step for mode   15=       -0.0000000025
 Unscaled step for mode   16=       -0.0000000007
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000039
 Unscaled step for mode   19=       -0.0000000068
 Unscaled step for mode   20=       -0.0000000115
 Unscaled step for mode   21=       -0.0000000046
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000035
 Unscaled step for mode   25=        0.0000000095
 Unscaled step for mode   26=       -0.0000000131
 Unscaled step for mode   27=       -0.0000000100
 Unscaled step for mode   28=       -0.0000000085
 Unscaled step for mode   29=        0.0000000058
 Unscaled step for mode   30=        0.0000000068
 Unscaled step for mode   31=        0.0000000007
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000058
 Unscaled step for mode   34=       -0.0000000028
 Unscaled step for mode   35=       -0.0000000175
 Unscaled step for mode   36=       -0.0000000018
 Unscaled step for mode   37=        0.0000000073
 Unscaled step for mode   38=        0.0000000051
 Unscaled step for mode   39=        0.0000000133
 Unscaled step for mode   40=       -0.0000000018
 Unscaled step for mode   41=       -0.0000000038
 Unscaled step for mode   42=        0.0000000021
 Unscaled step for mode   43=       -0.0000000026
 Unscaled step for mode   44=       -0.0000000016
 Unscaled step for mode   45=        0.0000000065
 Unscaled step for mode   46=       -0.0000000047
 Unscaled step for mode   47=        0.0000000211
 Unscaled step for mode   48=        0.0000000051
 Unscaled step for mode   49=       -0.0000000102
 Unscaled step for mode   50=        0.0000000106
 Unscaled step for mode   51=        0.0000000097
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000124
 Unscaled step for mode   54=        0.0000000020
 Unscaled step for mode   55=       -0.0000000236
 Unscaled step for mode   56=       -0.0000000094
 Unscaled step for mode   57=        0.0000000047
 Unscaled step for mode   58=        0.0000000212
 Unscaled step for mode   59=       -0.0000000115
 Unscaled step for mode   60=       -0.0000000196
 Unscaled step for mode   61=       -0.0000000166
 Unscaled step for mode   62=       -0.0000000578
 Unscaled step for mode   63=        0.0000000368
 Unscaled step for mode   64=       -0.0000000050
 Unscaled step for mode   65=       -0.0000000091
 Unscaled step for mode   66=       -0.0000000394
 Unscaled step for mode   67=        0.0000000041
 Unscaled step for mode   68=        0.0000000101
 Unscaled step for mode   69=       -0.0000000075
 Unscaled step for mode   70=        0.0000000096
 Unscaled step for mode   71=        0.0000000019
 Unscaled step for mode   72=       -0.0000000516
 Unscaled step for mode   73=       -0.0000000089
 Unscaled step for mode   74=        0.0000000705
 Unscaled step for mode   75=        0.0000000318
 Unscaled step for mode   76=       -0.0000000549
 Unscaled step for mode   77=       -0.0000000001
 Unscaled step for mode   78=       -0.0000001019
 Unscaled step for mode   79=        0.0000001402
 Unscaled step for mode   80=       -0.0000000222
 Unscaled step for mode   81=       -0.0000000335
 Unscaled step for mode   82=       -0.0000000519
 Unscaled step for mode   83=        0.0000000882
 Unscaled step for mode   84=        0.0000000429
 Unscaled step for mode   85=        0.0000001121
 Unscaled step for mode   86=       -0.0000001373
 Unscaled step for mode   87=        0.0000000655
 Unscaled step for mode   88=       -0.0000000103
 Unscaled step for mode   89=        0.0000001350
 Unscaled step for mode   90=        0.0000000589
 Unscaled step for mode   91=        0.0000000211
 Unscaled step for mode   92=       -0.0000001232
 Unscaled step for mode   93=       -0.0000002465
 Unscaled step for mode   94=       -0.0000000795
 Unscaled step for mode   95=        0.0000002701
 Unscaled step for mode   96=        0.0000000795
 Unscaled step for mode   97=       -0.0000001451
 Unscaled step for mode   98=        0.0000001338
 Unscaled step for mode   99=        0.0000001398
 Unscaled step for mode  100=       -0.0000003608
 Unscaled step for mode  101=        0.0000008960
 Unscaled step for mode  102=        0.0000004900
 Unscaled step for mode  103=        0.0000003615
 Unscaled step for mode  104=        0.0000005641
 Unscaled step for mode  105=        0.0000001059
 Unscaled step for mode  106=        0.0000001522
 Unscaled step for mode  107=       -0.0000014403
 Unscaled step for mode  108=       -0.0000029112
 Unscaled step for mode  109=        0.0000020065
 Unscaled step for mode  110=       -0.0000003489
 Unscaled step for mode  111=       -0.0000026207
 Unscaled step for mode  112=       -0.0000022908
 Unscaled step for mode  113=        0.0000090701
 Unscaled step for mode  114=        0.0164685153
 Largest modulus ratio of non-zero e/values=           154.0177334    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.269641E-15    0.101873E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.125822E-15    0.100785E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.689585E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.116552E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.101546E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.408263E-15    0.973417E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.322204E-06    0.714729E+03 -0.450805E-09 0.739598E-04    0.996601E+00
   8   -0.931029E-07    0.668997E+03  0.139168E-09 0.739598E-04    0.923801E+00
   9    0.268354E-06    0.621204E+03 -0.431990E-09 0.739598E-04    0.977168E+00
  10    0.864840E-06    0.601571E+03 -0.143764E-08 0.739598E-04    0.991422E+00
  11   -0.740760E-06    0.589282E+03  0.125705E-08 0.739598E-04    0.994804E+00
  12    0.167631E-05    0.562167E+03 -0.298186E-08 0.739598E-04    0.990945E+00
  13    0.187681E-05    0.558547E+03 -0.336017E-08 0.739598E-04    0.995347E+00
  14   -0.351436E-05    0.477000E+03  0.736764E-08 0.836017E-04    0.990730E+00
  15    0.118273E-05    0.472070E+03 -0.250541E-08 0.739598E-04    0.992597E+00
  16    0.333542E-06    0.464402E+03 -0.718217E-09 0.739598E-04    0.981996E+00
  17    0.229509E-06    0.441846E+03 -0.519434E-09 0.836017E-04    0.973869E+00
  18    0.167579E-05    0.432631E+03 -0.387347E-08 0.739598E-04    0.988697E+00
  19    0.284578E-05    0.419756E+03 -0.677960E-08 0.739598E-04    0.986426E+00
  20    0.465166E-05    0.404842E+03 -0.114901E-07 0.739598E-04    0.989857E+00
  21    0.183544E-05    0.398650E+03 -0.460415E-08 0.739598E-04    0.983824E+00
  22   -0.949989E-06    0.387914E+03  0.244897E-08 0.739598E-04    0.997894E+00
  23   -0.165985E-05    0.366962E+03  0.452323E-08 0.739598E-04    0.993300E+00
  24    0.127613E-05    0.364823E+03 -0.349795E-08 0.739598E-04    0.990103E+00
  25   -0.335801E-05    0.353579E+03  0.949719E-08 0.739598E-04    0.985604E+00
  26    0.455242E-05    0.346835E+03 -0.131256E-07 0.739598E-04    0.984300E+00
  27    0.324997E-05    0.325429E+03 -0.998671E-08 0.739598E-04    0.985074E+00
  28    0.273702E-05    0.323723E+03 -0.845483E-08 0.739598E-04    0.986753E+00
  29   -0.184601E-05    0.319109E+03  0.578488E-08 0.739598E-04    0.976614E+00
  30   -0.213130E-05    0.315034E+03  0.676532E-08 0.739598E-04    0.987936E+00
  31   -0.228859E-06    0.305425E+03  0.749316E-09 0.836017E-04    0.949021E+00
  32    0.450413E-06    0.287265E+03 -0.156793E-08 0.739598E-04    0.999889E+00
  33    0.163611E-05    0.280168E+03 -0.583976E-08 0.739598E-04    0.984099E+00
  34    0.767859E-06    0.272158E+03 -0.282138E-08 0.836017E-04    0.988553E+00
  35    0.466171E-05    0.265953E+03 -0.175283E-07 0.739598E-04    0.983083E+00
  36    0.477901E-06    0.261659E+03 -0.182643E-08 0.739598E-04    0.982053E+00
  37   -0.188589E-05    0.257735E+03  0.731717E-08 0.739598E-04    0.982695E+00
  38   -0.128795E-05    0.253392E+03  0.508282E-08 0.739598E-04    0.984814E+00
  39   -0.325197E-05    0.245322E+03  0.132559E-07 0.739598E-04    0.982462E+00
  40    0.421580E-06    0.240297E+03 -0.175441E-08 0.739598E-04    0.950517E+00
  41    0.881504E-06    0.233533E+03 -0.377465E-08 0.739598E-04    0.968768E+00
  42   -0.476222E-06    0.228275E+03  0.208617E-08 0.739598E-04    0.970688E+00
  43    0.576962E-06    0.226170E+03 -0.255101E-08 0.739598E-04    0.980972E+00
  44    0.348858E-06    0.213398E+03 -0.163477E-08 0.739598E-04    0.980987E+00
  45   -0.138142E-05    0.211369E+03  0.653556E-08 0.739598E-04    0.974512E+00
  46    0.986575E-06    0.209930E+03 -0.469956E-08 0.739598E-04    0.981167E+00
  47   -0.428428E-05    0.202788E+03  0.211269E-07 0.739598E-04    0.980443E+00
  48   -0.100934E-05    0.198993E+03  0.507224E-08 0.739598E-04    0.989184E+00
  49    0.198205E-05    0.195111E+03 -0.101586E-07 0.836017E-04    0.978560E+00
  50   -0.203211E-05    0.191790E+03  0.105955E-07 0.739598E-04    0.982714E+00
  51   -0.180879E-05    0.186549E+03  0.969605E-08 0.739598E-04    0.981179E+00
  52    0.336769E-06    0.179372E+03 -0.187749E-08 0.739598E-04    0.986969E+00
  53   -0.210886E-05    0.170736E+03  0.123516E-07 0.739598E-04    0.981543E+00
  54   -0.344536E-06    0.168097E+03  0.204963E-08 0.739598E-04    0.963063E+00
  55    0.390619E-05    0.165858E+03 -0.235513E-07 0.739598E-04    0.981803E+00
  56    0.150402E-05    0.160771E+03 -0.935502E-08 0.739598E-04    0.983389E+00
  57   -0.721280E-06    0.154274E+03  0.467531E-08 0.739598E-04    0.983849E+00
  58   -0.320505E-05    0.151095E+03  0.212121E-07 0.739598E-04    0.983158E+00
  59    0.170189E-05    0.148033E+03 -0.114967E-07 0.836017E-04    0.977491E+00
  60    0.278717E-05    0.142162E+03 -0.196055E-07 0.739598E-04    0.978097E+00
  61    0.226954E-05    0.136845E+03 -0.165848E-07 0.739598E-04    0.981597E+00
  62    0.777041E-05    0.134396E+03 -0.578174E-07 0.739598E-04    0.982064E+00
  63   -0.481890E-05    0.131042E+03  0.367736E-07 0.739598E-04    0.982061E+00
  64    0.644513E-06    0.127735E+03 -0.504569E-08 0.739598E-04    0.978058E+00
  65    0.114725E-05    0.125451E+03 -0.914500E-08 0.739598E-04    0.985110E+00
  66    0.488472E-05    0.123915E+03 -0.394198E-07 0.739598E-04    0.980911E+00
  67   -0.493969E-06    0.119460E+03  0.413502E-08 0.739598E-04    0.985678E+00
  68   -0.119566E-05    0.118079E+03  0.101259E-07 0.739598E-04    0.979575E+00
  69    0.871102E-06    0.116064E+03 -0.750535E-08 0.739598E-04    0.992078E+00
  70   -0.108930E-05    0.113124E+03  0.962925E-08 0.739598E-04    0.962880E+00
  71   -0.211101E-06    0.110656E+03  0.190773E-08 0.739598E-04    0.984772E+00
  72    0.546594E-05    0.105886E+03 -0.516210E-07 0.836017E-04    0.979716E+00
  73    0.915190E-06    0.102887E+03 -0.889514E-08 0.739598E-04    0.963351E+00
  74   -0.711106E-05    0.100838E+03  0.705194E-07 0.739598E-04    0.979867E+00
  75   -0.309292E-05    0.971733E+02  0.318289E-07 0.739598E-04    0.974879E+00
  76    0.521146E-05    0.949790E+02 -0.548697E-07 0.739598E-04    0.978632E+00
  77    0.734597E-08    0.918503E+02 -0.799776E-10 0.836017E-04    0.684098E+00
  78    0.919625E-05    0.902151E+02 -0.101937E-06 0.739598E-04    0.977583E+00
  79   -0.122375E-04    0.873090E+02  0.140164E-06 0.739598E-04    0.980211E+00
  80    0.187626E-05    0.844209E+02 -0.222250E-07 0.739598E-04    0.975130E+00
  81    0.271365E-05    0.809698E+02 -0.335144E-07 0.739598E-04    0.976687E+00
  82    0.410208E-05    0.789720E+02 -0.519435E-07 0.739598E-04    0.974442E+00
  83   -0.694114E-05    0.786842E+02  0.882152E-07 0.836017E-04    0.984659E+00
  84   -0.314339E-05    0.732418E+02  0.429180E-07 0.739598E-04    0.977184E+00
  85   -0.796657E-05    0.710843E+02  0.112072E-06 0.836017E-04    0.980768E+00
  86    0.962307E-05    0.700655E+02 -0.137344E-06 0.739598E-04    0.978049E+00
  87   -0.441468E-05    0.673703E+02  0.655286E-07 0.739598E-04    0.984820E+00
  88    0.659617E-06    0.639304E+02 -0.103177E-07 0.739598E-04    0.970615E+00
  89   -0.843210E-05    0.624807E+02  0.134955E-06 0.739598E-04    0.979266E+00
  90   -0.351471E-05    0.596471E+02  0.589251E-07 0.739598E-04    0.977319E+00
  91   -0.123045E-05    0.583335E+02  0.210934E-07 0.739598E-04    0.989352E+00
  92    0.688243E-05    0.558752E+02 -0.123175E-06 0.739598E-04    0.974145E+00
  93    0.132363E-04    0.536916E+02 -0.246524E-06 0.739598E-04    0.979373E+00
  94    0.416996E-05    0.524575E+02 -0.794920E-07 0.739598E-04    0.975664E+00
  95   -0.135704E-04    0.502472E+02  0.270074E-06 0.836017E-04    0.980441E+00
  96   -0.382374E-05    0.480757E+02  0.795358E-07 0.739598E-04    0.981014E+00
  97    0.638322E-05    0.439988E+02 -0.145077E-06 0.739598E-04    0.977292E+00
  98   -0.529467E-05    0.395580E+02  0.133846E-06 0.739598E-04    0.979865E+00
  99   -0.532982E-05    0.381111E+02  0.139850E-06 0.739598E-04    0.971532E+00
 100    0.129780E-04    0.359725E+02 -0.360775E-06 0.739598E-04    0.980384E+00
 101   -0.307682E-04    0.343384E+02  0.896030E-06 0.739598E-04    0.976122E+00
 102   -0.148600E-04    0.303283E+02  0.489972E-06 0.739598E-04    0.980599E+00
 103   -0.105127E-04    0.290824E+02  0.361481E-06 0.836017E-04    0.977621E+00
 104   -0.161754E-04    0.286749E+02  0.564098E-06 0.739598E-04    0.979435E+00
 105   -0.252880E-05    0.238895E+02  0.105854E-06 0.739598E-04    0.950306E+00
 106   -0.332521E-05    0.218444E+02  0.152223E-06 0.739598E-04    0.987396E+00
 107    0.285126E-04    0.197966E+02 -0.144028E-05 0.836017E-04    0.975328E+00
 108    0.473693E-04    0.162716E+02 -0.291116E-05 0.739598E-04    0.980859E+00
 109   -0.282116E-04    0.140600E+02  0.200651E-05 0.739598E-04    0.979395E+00
 110    0.453745E-05    0.130062E+02 -0.348868E-06 0.739598E-04    0.959979E+00
 111    0.315621E-04    0.120434E+02 -0.262069E-05 0.739598E-04    0.972367E+00
 112    0.212070E-04    0.925763E+01 -0.229076E-05 0.739598E-04    0.983048E+00
 113   -0.678226E-04    0.747763E+01  0.907007E-05 0.739598E-04    0.978272E+00
 114    0.764439E-01    0.464056E+01  0.400000E-03 0.400000E-03    0.465590E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1646851532E-01

 Beginning of optimization cycle   20.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4024343638
 potential> RMS force:                                               0.0073335463   |gradient|=.7830084729E-01
 Eigenvalues of the Hessian matrix:
   714.78751    669.01934    621.23535    601.59868    589.29177    562.19252 
   558.58305    477.01180    472.04932    464.38890    441.84033    432.61925 
   419.76331    404.85126    398.64673    387.92105    366.96040    364.81196 
   353.56694    346.79505    325.39492    323.72720    319.10664    315.05585 
   305.42466    287.26510    280.16606    272.14894    265.94960    261.66228 
   257.73180    253.39070    245.30525    240.28753    233.53948    228.27793 
   226.15217    213.38699    211.36250    209.93438    202.78849    198.98760 
   195.11357    191.78698    186.55106    179.35717    170.73343    168.09860 
   165.85697    160.76981    154.26639    151.09431    148.03969    142.16774 
   136.84577    134.39868    131.04248    127.73502    125.45374    123.92450 
   119.45895    118.07674    116.06818    113.11905    110.65181    105.88195 
   102.88497    100.83460     97.17507     94.97962     91.84321     90.21901 
    87.31841     84.42084     80.96778     78.97185     78.68631     73.23950 
    71.08753     70.05752     67.37422     63.92386     62.47973     59.64766 
    58.33630     55.87416     53.69220     52.45528     50.24820     48.07485 
    43.99483     39.56145     38.10383     35.97607     34.34155     30.31820 
    29.08112     28.67537     23.88367     21.84472     19.79133     16.27752 
    14.05693     13.00107     12.03952      9.25961      7.47969      4.64419 
overlap for current and previous eigenvector    109 is         0.9999912470
overlap for current and previous eigenvector    110 is        -0.9999925186
overlap for current and previous eigenvector    111 is         0.9999935738
overlap for current and previous eigenvector    112 is         0.9999996376
overlap for current and previous eigenvector    113 is        -0.9999992427
overlap for current and previous eigenvector    114 is        -0.9999989654
J1,K1,R1,R2,RAT=   7   7   -0.3173204276E-02     2.003010191        0.9968267957    
FOB,PFOB,DIAG,PSTEP=    0.3232260283E-06    0.3222035274E-06     714.7875144       -0.4508050081E-09
J1,K1,R1,R2,RAT=   8   8    0.8355440362E-01     1.916380094        0.9163800945    
FOB,PFOB,DIAG,PSTEP=   -0.8532346061E-07   -0.9310287019E-07     669.0193403        0.1391677548E-09
J1,K1,R1,R2,RAT=   9   9   -0.2235871996E-01     2.022257136        0.9776412800    
FOB,PFOB,DIAG,PSTEP=    0.2743541352E-06    0.2683537833E-06     621.2353504       -0.4319899278E-09
J1,K1,R1,R2,RAT=  10  10   -0.8452738675E-02     2.008359105        0.9915472613    
FOB,PFOB,DIAG,PSTEP=    0.8721509071E-06    0.8648402958E-06     601.5986808       -0.1437637439E-08
J1,K1,R1,R2,RAT=  11  11   -0.5108591021E-02     2.005077093        0.9948914090    
FOB,PFOB,DIAG,PSTEP=   -0.7445438005E-06   -0.7407595036E-06     589.2917697        0.1257053311E-08
J1,K1,R1,R2,RAT= 109 109   -0.2004179439E-01     2.020486043        0.9799582056    
FOB,PFOB,DIAG,PSTEP=   -0.2877685092E-04   -0.2821156608E-04     14.05692694        0.2006505484E-05
J1,K1,R1,R2,RAT= 110 110     2.040492832       -0.3970232304E-01    0.9602976770    
FOB,PFOB,DIAG,PSTEP=   -0.4717521394E-05    0.4537445445E-05     13.00106815       -0.3488676973E-06
J1,K1,R1,R2,RAT= 111 111   -0.2702134471E-01     2.027673574        0.9729786553    
FOB,PFOB,DIAG,PSTEP=    0.3241470287E-04    0.3156212972E-04     12.03951602       -0.2620690080E-05
J1,K1,R1,R2,RAT= 112 112   -0.1630943771E-01     2.015881959        0.9836905623    
FOB,PFOB,DIAG,PSTEP=    0.2155293361E-04    0.2120698566E-04     9.259613722       -0.2290756400E-05
J1,K1,R1,R2,RAT= 113 113     2.020599335       -0.2115102552E-01    0.9788489745    
FOB,PFOB,DIAG,PSTEP=    0.6925754131E-04   -0.6782262737E-04     7.479689598        0.9070074394E-05
J1,K1,R1,R2,RAT= 114 114    -83.30021570        0.9995377925        0.4622074623E-03
FOB,PFOB,DIAG,PSTEP=   -0.7830075916E-01    0.7644394310E-01     4.644186722        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00001 
     0.00000     -0.00001     -0.00000      0.00001      0.00000     -0.00001 
     0.00001     -0.00000      0.00000     -0.00000     -0.00001      0.00000 
     0.00001      0.00001     -0.00000      0.00000      0.00001      0.00000 
     0.00000     -0.00001     -0.00001     -0.00000      0.00001      0.00000 
    -0.00001      0.00001     -0.00001      0.00001      0.00003     -0.00002 
     0.00001     -0.00002     -0.00000      0.00000     -0.00003     -0.00005 
    -0.00003     -0.00000      0.00003      0.00002      0.00007     -0.07830 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4314498617
 Log product of positive Hessian eigenvalues =          520.5202481344
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6441867216
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000030
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000074
 Unscaled step for mode   15=       -0.0000000025
 Unscaled step for mode   16=       -0.0000000007
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000039
 Unscaled step for mode   19=       -0.0000000069
 Unscaled step for mode   20=       -0.0000000116
 Unscaled step for mode   21=       -0.0000000047
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000046
 Unscaled step for mode   24=       -0.0000000035
 Unscaled step for mode   25=        0.0000000096
 Unscaled step for mode   26=       -0.0000000133
 Unscaled step for mode   27=       -0.0000000101
 Unscaled step for mode   28=       -0.0000000086
 Unscaled step for mode   29=        0.0000000059
 Unscaled step for mode   30=        0.0000000068
 Unscaled step for mode   31=        0.0000000008
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000059
 Unscaled step for mode   34=       -0.0000000029
 Unscaled step for mode   35=       -0.0000000178
 Unscaled step for mode   36=       -0.0000000019
 Unscaled step for mode   37=        0.0000000074
 Unscaled step for mode   38=        0.0000000052
 Unscaled step for mode   39=        0.0000000135
 Unscaled step for mode   40=       -0.0000000018
 Unscaled step for mode   41=       -0.0000000039
 Unscaled step for mode   42=        0.0000000021
 Unscaled step for mode   43=       -0.0000000026
 Unscaled step for mode   44=       -0.0000000016
 Unscaled step for mode   45=        0.0000000067
 Unscaled step for mode   46=       -0.0000000048
 Unscaled step for mode   47=        0.0000000215
 Unscaled step for mode   48=        0.0000000051
 Unscaled step for mode   49=       -0.0000000104
 Unscaled step for mode   50=        0.0000000108
 Unscaled step for mode   51=        0.0000000099
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000126
 Unscaled step for mode   54=        0.0000000021
 Unscaled step for mode   55=       -0.0000000240
 Unscaled step for mode   56=        0.0000000095
 Unscaled step for mode   57=       -0.0000000047
 Unscaled step for mode   58=        0.0000000216
 Unscaled step for mode   59=       -0.0000000118
 Unscaled step for mode   60=        0.0000000200
 Unscaled step for mode   61=       -0.0000000169
 Unscaled step for mode   62=       -0.0000000588
 Unscaled step for mode   63=       -0.0000000374
 Unscaled step for mode   64=        0.0000000052
 Unscaled step for mode   65=        0.0000000093
 Unscaled step for mode   66=        0.0000000402
 Unscaled step for mode   67=       -0.0000000042
 Unscaled step for mode   68=        0.0000000103
 Unscaled step for mode   69=       -0.0000000076
 Unscaled step for mode   70=       -0.0000000100
 Unscaled step for mode   71=       -0.0000000019
 Unscaled step for mode   72=       -0.0000000527
 Unscaled step for mode   73=       -0.0000000092
 Unscaled step for mode   74=        0.0000000719
 Unscaled step for mode   75=        0.0000000326
 Unscaled step for mode   76=       -0.0000000560
 Unscaled step for mode   77=       -0.0000000000
 Unscaled step for mode   78=        0.0000001042
 Unscaled step for mode   79=       -0.0000001429
 Unscaled step for mode   80=        0.0000000228
 Unscaled step for mode   81=       -0.0000000343
 Unscaled step for mode   82=        0.0000000533
 Unscaled step for mode   83=        0.0000000895
 Unscaled step for mode   84=       -0.0000000439
 Unscaled step for mode   85=       -0.0000001142
 Unscaled step for mode   86=       -0.0000001403
 Unscaled step for mode   87=        0.0000000665
 Unscaled step for mode   88=       -0.0000000106
 Unscaled step for mode   89=       -0.0000001377
 Unscaled step for mode   90=       -0.0000000602
 Unscaled step for mode   91=       -0.0000000213
 Unscaled step for mode   92=        0.0000001263
 Unscaled step for mode   93=        0.0000002515
 Unscaled step for mode   94=        0.0000000814
 Unscaled step for mode   95=       -0.0000002752
 Unscaled step for mode   96=       -0.0000000810
 Unscaled step for mode   97=        0.0000001483
 Unscaled step for mode   98=       -0.0000001365
 Unscaled step for mode   99=        0.0000001438
 Unscaled step for mode  100=       -0.0000003676
 Unscaled step for mode  101=       -0.0000009169
 Unscaled step for mode  102=        0.0000004994
 Unscaled step for mode  103=       -0.0000003694
 Unscaled step for mode  104=        0.0000005754
 Unscaled step for mode  105=        0.0000001110
 Unscaled step for mode  106=       -0.0000001540
 Unscaled step for mode  107=        0.0000014754
 Unscaled step for mode  108=        0.0000029641
 Unscaled step for mode  109=        0.0000020472
 Unscaled step for mode  110=        0.0000003629
 Unscaled step for mode  111=       -0.0000026924
 Unscaled step for mode  112=       -0.0000023276
 Unscaled step for mode  113=       -0.0000092594
 Unscaled step for mode  114=       -0.0168551608
 Largest modulus ratio of non-zero e/values=           153.9101585    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.215323E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.494559E-15    0.100785E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.448860E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.642513E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.317942E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.342669E-15    0.973418E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.323226E-06    0.714788E+03 -0.452199E-09 0.666305E-04    0.996827E+00
   8   -0.853235E-07    0.669019E+03  0.127535E-09 0.666305E-04    0.916380E+00
   9    0.274354E-06    0.621235E+03 -0.441627E-09 0.666305E-04    0.977641E+00
  10    0.872151E-06    0.601599E+03 -0.144972E-08 0.666305E-04    0.991547E+00
  11   -0.744544E-06    0.589292E+03  0.126346E-08 0.666305E-04    0.994891E+00
  12    0.169132E-05    0.562193E+03 -0.300844E-08 0.666305E-04    0.991042E+00
  13    0.188530E-05    0.558583E+03 -0.337515E-08 0.666305E-04    0.995476E+00
  14   -0.354647E-05    0.477012E+03  0.743476E-08 0.753169E-04    0.990865E+00
  15    0.119137E-05    0.472049E+03 -0.252383E-08 0.666305E-04    0.992693E+00
  16    0.339526E-06    0.464389E+03 -0.731124E-09 0.666305E-04    0.982059E+00
  17    0.235437E-06    0.441840E+03 -0.532856E-09 0.753169E-04    0.974172E+00
  18    0.169450E-05    0.432619E+03 -0.391685E-08 0.666305E-04    0.988831E+00
  19    0.288400E-05    0.419763E+03 -0.687054E-08 0.666305E-04    0.986569E+00
  20    0.469815E-05    0.404851E+03 -0.116046E-07 0.666305E-04    0.990007E+00
  21    0.186475E-05    0.398647E+03 -0.467770E-08 0.666305E-04    0.984032E+00
  22   -0.951760E-06    0.387921E+03  0.245349E-08 0.666305E-04    0.998136E+00
  23   -0.167070E-05    0.366960E+03  0.455282E-08 0.666305E-04    0.993463E+00
  24    0.128853E-05    0.364812E+03 -0.353205E-08 0.666305E-04    0.990281E+00
  25   -0.340580E-05    0.353567E+03  0.963269E-08 0.666305E-04    0.985768E+00
  26    0.462313E-05    0.346795E+03 -0.133310E-07 0.666305E-04    0.984466E+00
  27    0.329780E-05    0.325395E+03 -0.101348E-07 0.666305E-04    0.985282E+00
  28    0.277273E-05    0.323727E+03 -0.856503E-08 0.666305E-04    0.986952E+00
  29   -0.188873E-05    0.319107E+03  0.591882E-08 0.666305E-04    0.976854E+00
  30   -0.215673E-05    0.315056E+03  0.684555E-08 0.666305E-04    0.988071E+00
  31   -0.240178E-06    0.305425E+03  0.786374E-09 0.753169E-04    0.950543E+00
  32    0.450290E-06    0.287265E+03 -0.156751E-08 0.666305E-04    0.999728E+00
  33    0.166178E-05    0.280166E+03 -0.593142E-08 0.666305E-04    0.984309E+00
  34    0.776552E-06    0.272149E+03 -0.285341E-08 0.753169E-04    0.988678E+00
  35    0.473952E-05    0.265950E+03 -0.178211E-07 0.666305E-04    0.983308E+00
  36    0.486451E-06    0.261662E+03 -0.185908E-08 0.666305E-04    0.982111E+00
  37   -0.191812E-05    0.257732E+03  0.744230E-08 0.666305E-04    0.982912E+00
  38   -0.130721E-05    0.253391E+03  0.515887E-08 0.666305E-04    0.985043E+00
  39   -0.330826E-05    0.245305E+03  0.134863E-07 0.666305E-04    0.982688E+00
  40    0.441929E-06    0.240288E+03 -0.183917E-08 0.666305E-04    0.951731E+00
  41    0.908637E-06    0.233539E+03 -0.389072E-08 0.666305E-04    0.969220E+00
  42   -0.489973E-06    0.228278E+03  0.214639E-08 0.666305E-04    0.971124E+00
  43    0.587819E-06    0.226152E+03 -0.259922E-08 0.666305E-04    0.981181E+00
  44    0.341596E-06    0.213387E+03 -0.160083E-08 0.666305E-04    0.979184E+00
  45   -0.141599E-05    0.211362E+03  0.669934E-08 0.666305E-04    0.974974E+00
  46    0.100522E-05    0.209934E+03 -0.478826E-08 0.666305E-04    0.981103E+00
  47   -0.436690E-05    0.202788E+03  0.215343E-07 0.666305E-04    0.980715E+00
  48   -0.101989E-05    0.198988E+03  0.512542E-08 0.666305E-04    0.989542E+00
  49    0.202400E-05    0.195114E+03 -0.103734E-07 0.753169E-04    0.978837E+00
  50   -0.206668E-05    0.191787E+03  0.107759E-07 0.666305E-04    0.982991E+00
  51   -0.184230E-05    0.186551E+03  0.987560E-08 0.666305E-04    0.981474E+00
  52    0.341043E-06    0.179357E+03 -0.190147E-08 0.666305E-04    0.987310E+00
  53   -0.214712E-05    0.170733E+03  0.125759E-07 0.666305E-04    0.981857E+00
  54   -0.357086E-06    0.168099E+03  0.212426E-08 0.666305E-04    0.963575E+00
  55    0.397610E-05    0.165857E+03 -0.239730E-07 0.666305E-04    0.982103E+00
  56   -0.152857E-05    0.160770E+03  0.950781E-08 0.666305E-04    0.983675E+00
  57    0.732709E-06    0.154266E+03 -0.474964E-08 0.666305E-04    0.984153E+00
  58   -0.325808E-05    0.151094E+03  0.215632E-07 0.666305E-04    0.983454E+00
  59    0.173956E-05    0.148040E+03 -0.117506E-07 0.753169E-04    0.977867E+00
  60   -0.284717E-05    0.142168E+03  0.200269E-07 0.666305E-04    0.978471E+00
  61    0.231061E-05    0.136846E+03 -0.168848E-07 0.666305E-04    0.981905E+00
  62    0.790721E-05    0.134399E+03 -0.588340E-07 0.666305E-04    0.982396E+00
  63    0.490377E-05    0.131042E+03 -0.374212E-07 0.666305E-04    0.982387E+00
  64   -0.658473E-06    0.127735E+03  0.515499E-08 0.666305E-04    0.978341E+00
  65   -0.116384E-05    0.125454E+03  0.927701E-08 0.666305E-04    0.985540E+00
  66   -0.497632E-05    0.123925E+03  0.401561E-07 0.666305E-04    0.981249E+00
  67    0.500901E-06    0.119459E+03 -0.419308E-08 0.666305E-04    0.985967E+00
  68   -0.121967E-05    0.118077E+03  0.103294E-07 0.666305E-04    0.979921E+00
  69    0.877607E-06    0.116068E+03 -0.756114E-08 0.666305E-04    0.992532E+00
  70    0.112891E-05    0.113119E+03 -0.997980E-08 0.666305E-04    0.963635E+00
  71    0.214201E-06    0.110652E+03 -0.193581E-08 0.666305E-04    0.985316E+00
  72    0.557485E-05    0.105882E+03 -0.526515E-07 0.753169E-04    0.980074E+00
  73    0.948185E-06    0.102885E+03 -0.921598E-08 0.666305E-04    0.963947E+00
  74   -0.725151E-05    0.100835E+03  0.719149E-07 0.666305E-04    0.980249E+00
  75   -0.316940E-05    0.971751E+02  0.326154E-07 0.666305E-04    0.975272E+00
  76    0.532084E-05    0.949796E+02 -0.560208E-07 0.666305E-04    0.979013E+00
  77    0.384920E-08    0.918432E+02 -0.419106E-10 0.753169E-04    0.523952E+00
  78   -0.939874E-05    0.902190E+02  0.104177E-06 0.666305E-04    0.977983E+00
  79    0.124746E-04    0.873184E+02 -0.142863E-06 0.666305E-04    0.980633E+00
  80   -0.192217E-05    0.844208E+02  0.227689E-07 0.666305E-04    0.975528E+00
  81    0.277573E-05    0.809678E+02 -0.342819E-07 0.666305E-04    0.977123E+00
  82   -0.420592E-05    0.789719E+02  0.532585E-07 0.666305E-04    0.974685E+00
  83   -0.704384E-05    0.786863E+02  0.895180E-07 0.753169E-04    0.985205E+00
  84    0.321379E-05    0.732395E+02 -0.438805E-07 0.666305E-04    0.977605E+00
  85    0.811666E-05    0.710875E+02 -0.114178E-06 0.753169E-04    0.981161E+00
  86    0.982979E-05    0.700575E+02 -0.140310E-06 0.666305E-04    0.978516E+00
  87   -0.447959E-05    0.673742E+02  0.664881E-07 0.666305E-04    0.985299E+00
  88    0.678308E-06    0.639239E+02 -0.106112E-07 0.666305E-04    0.971661E+00
  89    0.860328E-05    0.624797E+02 -0.137697E-06 0.666305E-04    0.979699E+00
  90    0.359282E-05    0.596477E+02 -0.602340E-07 0.666305E-04    0.977777E+00
  91    0.124293E-05    0.583363E+02 -0.213063E-07 0.666305E-04    0.989859E+00
  92   -0.705713E-05    0.558742E+02  0.126304E-06 0.666305E-04    0.974616E+00
  93   -0.135030E-04    0.536922E+02  0.251489E-06 0.666305E-04    0.979852E+00
  94   -0.426952E-05    0.524553E+02  0.813935E-07 0.666305E-04    0.976123E+00
  95    0.138293E-04    0.502482E+02 -0.275221E-06 0.753169E-04    0.980921E+00
  96    0.389453E-05    0.480749E+02 -0.810098E-07 0.666305E-04    0.981486E+00
  97   -0.652499E-05    0.439948E+02  0.148313E-06 0.666305E-04    0.977789E+00
  98    0.539879E-05    0.395615E+02 -0.136466E-06 0.666305E-04    0.980337E+00
  99   -0.547872E-05    0.381038E+02  0.143784E-06 0.666305E-04    0.972058E+00
 100    0.132264E-04    0.359761E+02 -0.367645E-06 0.666305E-04    0.980860E+00
 101    0.314861E-04    0.343416E+02 -0.916852E-06 0.666305E-04    0.976669E+00
 102   -0.151407E-04    0.303182E+02  0.499392E-06 0.666305E-04    0.981107E+00
 103    0.107425E-04    0.290811E+02 -0.369399E-06 0.753169E-04    0.978140E+00
 104   -0.164995E-04    0.286754E+02  0.575388E-06 0.666305E-04    0.979968E+00
 105   -0.265088E-05    0.238837E+02  0.110991E-06 0.666305E-04    0.951711E+00
 106    0.336481E-05    0.218447E+02 -0.154033E-06 0.666305E-04    0.988094E+00
 107   -0.292001E-04    0.197913E+02  0.147540E-05 0.753169E-04    0.975884E+00
 108   -0.482488E-04    0.162775E+02  0.296414E-05 0.666305E-04    0.981438E+00
 109   -0.287769E-04    0.140569E+02  0.204717E-05 0.666305E-04    0.979958E+00
 110   -0.471752E-05    0.130011E+02  0.362856E-06 0.666305E-04    0.960298E+00
 111    0.324147E-04    0.120395E+02 -0.269236E-05 0.666305E-04    0.972979E+00
 112    0.215529E-04    0.925961E+01 -0.232763E-05 0.666305E-04    0.983691E+00
 113    0.692575E-04    0.747969E+01 -0.925941E-05 0.666305E-04    0.978849E+00
 114   -0.783008E-01    0.464419E+01 -0.400000E-03 0.400000E-03    0.462207E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1685516085E-01

 Beginning of optimization cycle   21.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4024026724
 potential> RMS force:                                               0.0075075879   |gradient|=.8015910306E-01
 Eigenvalues of the Hessian matrix:
   714.84578    669.04120    621.26677    601.62670    589.30091    562.21798 
   558.61959    477.02368    472.02815    464.37539    441.83514    432.60718 
   419.77016    404.86104    398.64354    387.92790    366.95894    364.80108 
   353.55461    346.75481    325.36040    323.73153    319.10433    315.07789 
   305.42475    287.26497    280.16423    272.14040    265.94599    261.66592 
   257.72858    253.38923    245.28879    240.27763    233.54632    228.28040 
   226.13432    213.37572    211.35555    209.93919    202.78925    198.98225 
   195.11580    191.78420    186.55260    179.34261    170.73116    168.10032 
   165.85554    160.76866    154.25848    151.09359    148.04610    142.17338 
   136.84677    134.40177    131.04250    127.73457    125.45685    123.93355 
   119.45782    118.07438    116.07222    113.11455    110.64799    105.87796 
   102.88343    100.83082     97.17679     94.98028     91.83615     90.22297 
    87.32788     84.42082     80.96580     78.97172     78.68843     73.23716 
    71.09073     70.04951     67.37812     63.91730     62.47874     59.64821 
    58.33906     55.87311     53.69272     52.45301     50.24923     48.07401 
    43.99085     39.56492     38.09657     35.97959     34.34480     30.30812 
    29.07986     28.67585     23.87785     21.84506     19.78616     16.28339 
    14.05382     12.99591     12.03554      9.26159      7.48173      4.64777 
overlap for current and previous eigenvector    109 is         0.9999912742
overlap for current and previous eigenvector    110 is         0.9999924493
overlap for current and previous eigenvector    111 is        -0.9999934362
overlap for current and previous eigenvector    112 is         0.9999996385
overlap for current and previous eigenvector    113 is        -0.9999992456
overlap for current and previous eigenvector    114 is        -0.9999989701
J1,K1,R1,R2,RAT=   7   7   -0.2946921203E-02     2.002783895        0.9970530788    
FOB,PFOB,DIAG,PSTEP=    0.3241786276E-06    0.3232260283E-06     714.8457837       -0.4521987609E-09
J1,K1,R1,R2,RAT=   8   8    0.9241660511E-01     1.907518058        0.9075180579    
FOB,PFOB,DIAG,PSTEP=   -0.7743789844E-07   -0.8532346061E-07     669.0411969        0.1275351181E-09
J1,K1,R1,R2,RAT=   9   9   -0.2190089232E-01     2.021799745        0.9780991077    
FOB,PFOB,DIAG,PSTEP=    0.2803630394E-06    0.2743541352E-06     621.2667702       -0.4416267281E-09
J1,K1,R1,R2,RAT=  10  10   -0.8329813114E-02     2.008236673        0.9916701869    
FOB,PFOB,DIAG,PSTEP=    0.8794160995E-06    0.8721509071E-06     601.6266987       -0.1449722107E-08
J1,K1,R1,R2,RAT=  11  11   -0.5022234118E-02     2.004991201        0.9949777659    
FOB,PFOB,DIAG,PSTEP=   -0.7482831318E-06   -0.7445438005E-06     589.3009135        0.1263455285E-08
J1,K1,R1,R2,RAT= 109 109   -0.1950408898E-01     2.019946727        0.9804959110    
FOB,PFOB,DIAG,PSTEP=   -0.2933799299E-04   -0.2877685092E-04     14.05381656        0.2047165149E-05
J1,K1,R1,R2,RAT= 110 110   -0.3939539375E-01     2.040189030        0.9606046063    
FOB,PFOB,DIAG,PSTEP=   -0.4903296288E-05   -0.4717521394E-05     12.99591113        0.3628564469E-06
J1,K1,R1,R2,RAT= 111 111     2.027094982       -0.2643481754E-01    0.9735651825    
FOB,PFOB,DIAG,PSTEP=   -0.3327129688E-04    0.3241470287E-04     12.03554330       -0.2692359295E-05
J1,K1,R1,R2,RAT= 112 112   -0.1569246159E-01     2.015264788        0.9843075384    
FOB,PFOB,DIAG,PSTEP=    0.2189122454E-04    0.2155293361E-04     9.261594190       -0.2327627724E-05
J1,K1,R1,R2,RAT= 113 113     2.020054018       -0.2059955171E-01    0.9794004483    
FOB,PFOB,DIAG,PSTEP=   -0.7068460487E-04    0.6925754131E-04     7.481730367       -0.9259413830E-05
J1,K1,R1,R2,RAT= 114 114    -85.23433610        0.9995411744        0.4588255938E-03
FOB,PFOB,DIAG,PSTEP=    0.8015901341E-01   -0.7830075916E-01     4.647768136       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00001 
     0.00000     -0.00001     -0.00000     -0.00001      0.00000      0.00001 
    -0.00001     -0.00000      0.00000     -0.00000     -0.00001      0.00000 
    -0.00001      0.00001     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00003     -0.00002 
    -0.00001     -0.00002     -0.00000     -0.00000      0.00003      0.00005 
    -0.00003     -0.00000     -0.00003      0.00002     -0.00007      0.08016 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4315461831
 Log product of positive Hessian eigenvalues =          520.5197072366
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6477681362
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000015
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000030
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000075
 Unscaled step for mode   15=       -0.0000000025
 Unscaled step for mode   16=       -0.0000000007
 Unscaled step for mode   17=       -0.0000000005
 Unscaled step for mode   18=       -0.0000000040
 Unscaled step for mode   19=       -0.0000000070
 Unscaled step for mode   20=       -0.0000000117
 Unscaled step for mode   21=       -0.0000000048
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000046
 Unscaled step for mode   24=       -0.0000000036
 Unscaled step for mode   25=        0.0000000098
 Unscaled step for mode   26=       -0.0000000135
 Unscaled step for mode   27=       -0.0000000103
 Unscaled step for mode   28=       -0.0000000087
 Unscaled step for mode   29=        0.0000000061
 Unscaled step for mode   30=        0.0000000069
 Unscaled step for mode   31=        0.0000000008
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000060
 Unscaled step for mode   34=       -0.0000000029
 Unscaled step for mode   35=       -0.0000000181
 Unscaled step for mode   36=       -0.0000000019
 Unscaled step for mode   37=        0.0000000076
 Unscaled step for mode   38=        0.0000000052
 Unscaled step for mode   39=        0.0000000137
 Unscaled step for mode   40=       -0.0000000019
 Unscaled step for mode   41=       -0.0000000040
 Unscaled step for mode   42=        0.0000000022
 Unscaled step for mode   43=       -0.0000000026
 Unscaled step for mode   44=       -0.0000000016
 Unscaled step for mode   45=        0.0000000069
 Unscaled step for mode   46=        0.0000000049
 Unscaled step for mode   47=        0.0000000219
 Unscaled step for mode   48=        0.0000000052
 Unscaled step for mode   49=       -0.0000000106
 Unscaled step for mode   50=        0.0000000110
 Unscaled step for mode   51=        0.0000000101
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000128
 Unscaled step for mode   54=        0.0000000022
 Unscaled step for mode   55=       -0.0000000244
 Unscaled step for mode   56=       -0.0000000097
 Unscaled step for mode   57=        0.0000000048
 Unscaled step for mode   58=        0.0000000219
 Unscaled step for mode   59=       -0.0000000120
 Unscaled step for mode   60=       -0.0000000204
 Unscaled step for mode   61=        0.0000000172
 Unscaled step for mode   62=        0.0000000598
 Unscaled step for mode   63=        0.0000000381
 Unscaled step for mode   64=       -0.0000000053
 Unscaled step for mode   65=        0.0000000094
 Unscaled step for mode   66=        0.0000000409
 Unscaled step for mode   67=       -0.0000000043
 Unscaled step for mode   68=       -0.0000000105
 Unscaled step for mode   69=       -0.0000000076
 Unscaled step for mode   70=       -0.0000000103
 Unscaled step for mode   71=        0.0000000020
 Unscaled step for mode   72=       -0.0000000537
 Unscaled step for mode   73=       -0.0000000095
 Unscaled step for mode   74=        0.0000000733
 Unscaled step for mode   75=        0.0000000334
 Unscaled step for mode   76=        0.0000000572
 Unscaled step for mode   77=       -0.0000000000
 Unscaled step for mode   78=       -0.0000001064
 Unscaled step for mode   79=        0.0000001456
 Unscaled step for mode   80=        0.0000000233
 Unscaled step for mode   81=       -0.0000000351
 Unscaled step for mode   82=        0.0000000546
 Unscaled step for mode   83=        0.0000000908
 Unscaled step for mode   84=       -0.0000000448
 Unscaled step for mode   85=        0.0000001163
 Unscaled step for mode   86=       -0.0000001433
 Unscaled step for mode   87=        0.0000000674
 Unscaled step for mode   88=        0.0000000109
 Unscaled step for mode   89=        0.0000001404
 Unscaled step for mode   90=        0.0000000615
 Unscaled step for mode   91=        0.0000000215
 Unscaled step for mode   92=       -0.0000001295
 Unscaled step for mode   93=        0.0000002564
 Unscaled step for mode   94=       -0.0000000833
 Unscaled step for mode   95=        0.0000002803
 Unscaled step for mode   96=        0.0000000825
 Unscaled step for mode   97=        0.0000001515
 Unscaled step for mode   98=       -0.0000001391
 Unscaled step for mode   99=       -0.0000001478
 Unscaled step for mode  100=        0.0000003745
 Unscaled step for mode  101=        0.0000009377
 Unscaled step for mode  102=        0.0000005088
 Unscaled step for mode  103=        0.0000003773
 Unscaled step for mode  104=        0.0000005866
 Unscaled step for mode  105=        0.0000001162
 Unscaled step for mode  106=        0.0000001558
 Unscaled step for mode  107=       -0.0000015106
 Unscaled step for mode  108=       -0.0000030164
 Unscaled step for mode  109=        0.0000020875
 Unscaled step for mode  110=        0.0000003773
 Unscaled step for mode  111=        0.0000027644
 Unscaled step for mode  112=       -0.0000023637
 Unscaled step for mode  113=        0.0000094476
 Unscaled step for mode  114=        0.0172416484
 Largest modulus ratio of non-zero e/values=           153.8040975    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.456991E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.640221E-16    0.100784E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.188867E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.132273E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.102183E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.313023E-15    0.973419E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.324179E-06    0.714846E+03 -0.453494E-09 0.600274E-04    0.997053E+00
   8   -0.774379E-07    0.669041E+03  0.115745E-09 0.600274E-04    0.907518E+00
   9    0.280363E-06    0.621267E+03 -0.451276E-09 0.600274E-04    0.978099E+00
  10    0.879416E-06    0.601627E+03 -0.146173E-08 0.600274E-04    0.991670E+00
  11   -0.748283E-06    0.589301E+03  0.126978E-08 0.600274E-04    0.994978E+00
  12    0.170631E-05    0.562218E+03 -0.303496E-08 0.600274E-04    0.991138E+00
  13    0.189359E-05    0.558620E+03 -0.338977E-08 0.600274E-04    0.995603E+00
  14   -0.357839E-05    0.477024E+03  0.750150E-08 0.678530E-04    0.990998E+00
  15    0.119996E-05    0.472028E+03 -0.254214E-08 0.600274E-04    0.992788E+00
  16    0.345595E-06    0.464375E+03 -0.744215E-09 0.600274E-04    0.982123E+00
  17    0.241448E-06    0.441835E+03 -0.546465E-09 0.678530E-04    0.974471E+00
  18    0.171321E-05    0.432607E+03 -0.396019E-08 0.600274E-04    0.988962E+00
  19    0.292233E-05    0.419770E+03 -0.696174E-08 0.600274E-04    0.986710E+00
  20    0.474440E-05    0.404861E+03 -0.117186E-07 0.600274E-04    0.990155E+00
  21    0.189415E-05    0.398644E+03 -0.475148E-08 0.600274E-04    0.984236E+00
  22   -0.953306E-06    0.387928E+03  0.245743E-08 0.600274E-04    0.998376E+00
  23   -0.168136E-05    0.366959E+03  0.458188E-08 0.600274E-04    0.993622E+00
  24    0.130083E-05    0.364801E+03 -0.356586E-08 0.600274E-04    0.990456E+00
  25   -0.345372E-05    0.353555E+03  0.976857E-08 0.600274E-04    0.985928E+00
  26    0.469418E-05    0.346755E+03 -0.135375E-07 0.600274E-04    0.984629E+00
  27    0.334567E-05    0.325360E+03 -0.102830E-07 0.600274E-04    0.985484E+00
  28    0.280837E-05    0.323732E+03 -0.867499E-08 0.600274E-04    0.987149E+00
  29   -0.193201E-05    0.319104E+03  0.605447E-08 0.600274E-04    0.977088E+00
  30   -0.218218E-05    0.315078E+03  0.692584E-08 0.600274E-04    0.988201E+00
  31   -0.251714E-06    0.305425E+03  0.824145E-09 0.678530E-04    0.951967E+00
  32    0.449995E-06    0.287265E+03 -0.156648E-08 0.600274E-04    0.999345E+00
  33    0.168752E-05    0.280164E+03 -0.602331E-08 0.600274E-04    0.984515E+00
  34    0.785252E-06    0.272140E+03 -0.288547E-08 0.678530E-04    0.988797E+00
  35    0.481759E-05    0.265946E+03 -0.181149E-07 0.600274E-04    0.983527E+00
  36    0.495127E-06    0.261666E+03 -0.189221E-08 0.600274E-04    0.982164E+00
  37   -0.195049E-05    0.257729E+03  0.756800E-08 0.600274E-04    0.983123E+00
  38   -0.132647E-05    0.253389E+03  0.523491E-08 0.600274E-04    0.985266E+00
  39   -0.336480E-05    0.245289E+03  0.137177E-07 0.600274E-04    0.982909E+00
  40    0.462751E-06    0.240278E+03 -0.192590E-08 0.600274E-04    0.952880E+00
  41    0.936207E-06    0.233546E+03 -0.400866E-08 0.600274E-04    0.969659E+00
  42   -0.503915E-06    0.228280E+03  0.220744E-08 0.600274E-04    0.971547E+00
  43    0.598761E-06    0.226134E+03 -0.264781E-08 0.600274E-04    0.981384E+00
  44    0.333829E-06    0.213376E+03 -0.156451E-08 0.600274E-04    0.977260E+00
  45   -0.145078E-05    0.211356E+03  0.686418E-08 0.600274E-04    0.975426E+00
  46   -0.102429E-05    0.209939E+03  0.487899E-08 0.600274E-04    0.981028E+00
  47   -0.444997E-05    0.202789E+03  0.219438E-07 0.600274E-04    0.980978E+00
  48   -0.103020E-05    0.198982E+03  0.517736E-08 0.600274E-04    0.989893E+00
  49    0.206629E-05    0.195116E+03 -0.105901E-07 0.678530E-04    0.979107E+00
  50   -0.210127E-05    0.191784E+03  0.109564E-07 0.600274E-04    0.983261E+00
  51   -0.187591E-05    0.186553E+03  0.100556E-07 0.600274E-04    0.981760E+00
  52    0.345257E-06    0.179343E+03 -0.192513E-08 0.600274E-04    0.987642E+00
  53   -0.218542E-05    0.170731E+03  0.128004E-07 0.600274E-04    0.982162E+00
  54   -0.369914E-06    0.168100E+03  0.220056E-08 0.600274E-04    0.964075E+00
  55    0.404611E-05    0.165856E+03 -0.243954E-07 0.600274E-04    0.982393E+00
  56    0.155310E-05    0.160769E+03 -0.966047E-08 0.600274E-04    0.983951E+00
  57   -0.744105E-06    0.154258E+03  0.482375E-08 0.600274E-04    0.984447E+00
  58   -0.331105E-05    0.151094E+03  0.219139E-07 0.600274E-04    0.983740E+00
  59    0.177743E-05    0.148046E+03 -0.120059E-07 0.678530E-04    0.978231E+00
  60    0.290744E-05    0.142173E+03 -0.204500E-07 0.600274E-04    0.978833E+00
  61   -0.235173E-05    0.136847E+03  0.171852E-07 0.600274E-04    0.982202E+00
  62   -0.804388E-05    0.134402E+03  0.598495E-07 0.600274E-04    0.982716E+00
  63   -0.498860E-05    0.131043E+03  0.380685E-07 0.600274E-04    0.982702E+00
  64    0.672556E-06    0.127735E+03 -0.526526E-08 0.600274E-04    0.978613E+00
  65   -0.118018E-05    0.125457E+03  0.940703E-08 0.600274E-04    0.985960E+00
  66   -0.506802E-05    0.123934E+03  0.408931E-07 0.600274E-04    0.981574E+00
  67    0.507791E-06    0.119458E+03 -0.425080E-08 0.600274E-04    0.986244E+00
  68    0.124375E-05    0.118074E+03 -0.105336E-07 0.600274E-04    0.980255E+00
  69    0.883772E-06    0.116072E+03 -0.761398E-08 0.600274E-04    0.992976E+00
  70    0.116914E-05    0.113115E+03 -0.103359E-07 0.600274E-04    0.964360E+00
  71   -0.217231E-06    0.110648E+03  0.196327E-08 0.600274E-04    0.985850E+00
  72    0.568400E-05    0.105878E+03 -0.536845E-07 0.678530E-04    0.980419E+00
  73    0.981823E-06    0.102883E+03 -0.954306E-08 0.600274E-04    0.964524E+00
  74   -0.739206E-05    0.100831E+03  0.733115E-07 0.600274E-04    0.980617E+00
  75   -0.324658E-05    0.971768E+02  0.334090E-07 0.600274E-04    0.975651E+00
  76   -0.543055E-05    0.949803E+02  0.571756E-07 0.600274E-04    0.979380E+00
  77    0.248674E-09    0.918361E+02 -0.270780E-11 0.820954E-04    0.645321E-01
  78    0.960206E-05    0.902230E+02 -0.106426E-06 0.600274E-04    0.978368E+00
  79   -0.127111E-04    0.873279E+02  0.145556E-06 0.600274E-04    0.981039E+00
  80   -0.196847E-05    0.844208E+02  0.233174E-07 0.600274E-04    0.975912E+00
  81    0.283806E-05    0.809658E+02 -0.350526E-07 0.600274E-04    0.977543E+00
  82   -0.431143E-05    0.789717E+02  0.545946E-07 0.600274E-04    0.974914E+00
  83   -0.714429E-05    0.786884E+02  0.907921E-07 0.678530E-04    0.985740E+00
  84    0.328446E-05    0.732372E+02 -0.448468E-07 0.600274E-04    0.978010E+00
  85   -0.826651E-05    0.710907E+02  0.116281E-06 0.678530E-04    0.981538E+00
  86    0.100365E-04    0.700495E+02 -0.143278E-06 0.600274E-04    0.978966E+00
  87   -0.454337E-05    0.673781E+02  0.674310E-07 0.600274E-04    0.985761E+00
  88   -0.696841E-06    0.639173E+02  0.109022E-07 0.600274E-04    0.972676E+00
  89   -0.877436E-05    0.624787E+02  0.140437E-06 0.600274E-04    0.980115E+00
  90   -0.367108E-05    0.596482E+02  0.615455E-07 0.600274E-04    0.978217E+00
  91   -0.125492E-05    0.583391E+02  0.215109E-07 0.600274E-04    0.990350E+00
  92    0.723308E-05    0.558731E+02 -0.129455E-06 0.600274E-04    0.975068E+00
  93   -0.137688E-04    0.536927E+02  0.256438E-06 0.600274E-04    0.980312E+00
  94    0.436958E-05    0.524530E+02 -0.833046E-07 0.600274E-04    0.976563E+00
  95   -0.140868E-04    0.502492E+02  0.280339E-06 0.678530E-04    0.981383E+00
  96   -0.396488E-05    0.480740E+02  0.824744E-07 0.600274E-04    0.981937E+00
  97   -0.666679E-05    0.439908E+02  0.151549E-06 0.600274E-04    0.978266E+00
  98    0.550252E-05    0.395649E+02 -0.139076E-06 0.600274E-04    0.980788E+00
  99    0.562901E-05    0.380966E+02 -0.147756E-06 0.600274E-04    0.972562E+00
 100   -0.134736E-04    0.359796E+02  0.374479E-06 0.600274E-04    0.981314E+00
 101   -0.322043E-04    0.343448E+02  0.937675E-06 0.600274E-04    0.977194E+00
 102   -0.154193E-04    0.303081E+02  0.508750E-06 0.600274E-04    0.981592E+00
 103   -0.109720E-04    0.290799E+02  0.377306E-06 0.678530E-04    0.978637E+00
 104   -0.168216E-04    0.286759E+02  0.586611E-06 0.600274E-04    0.980479E+00
 105   -0.277532E-05    0.238778E+02  0.116230E-06 0.600274E-04    0.953046E+00
 106   -0.340259E-05    0.218451E+02  0.155760E-06 0.600274E-04    0.988770E+00
 107    0.298885E-04    0.197862E+02 -0.151058E-05 0.678530E-04    0.976416E+00
 108    0.491179E-04    0.162834E+02 -0.301645E-05 0.600274E-04    0.981994E+00
 109   -0.293380E-04    0.140538E+02  0.208755E-05 0.600274E-04    0.980496E+00
 110   -0.490330E-05    0.129959E+02  0.377295E-06 0.600274E-04    0.960605E+00
 111   -0.332713E-04    0.120355E+02  0.276442E-05 0.600274E-04    0.973565E+00
 112    0.218912E-04    0.926159E+01 -0.236366E-05 0.600274E-04    0.984308E+00
 113   -0.706846E-04    0.748173E+01  0.944763E-05 0.600274E-04    0.979400E+00
 114    0.801590E-01    0.464777E+01  0.400000E-03 0.400000E-03    0.458826E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1724164843E-01

 Beginning of optimization cycle   22.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4023702375
 potential> RMS force:                                               0.0076817626   |gradient|=.8201878079E-01
 Eigenvalues of the Hessian matrix:
   714.90406    669.06300    621.29806    601.65457    589.30992    562.24339 
   558.65617    477.03562    472.00696    464.36191    441.82998    432.59513 
   419.77705    404.87086    398.64034    387.93472    366.95751    364.79020 
   353.54233    346.71456    325.32594    323.73587    319.10197    315.09991 
   305.42482    287.26486    280.16237    272.13189    265.94243    261.66963 
   257.72544    253.38781    245.27234    240.26775    233.55322    228.28288 
   226.11647    213.36453    211.34864    209.94393    202.79003    198.97690 
   195.11807    191.78143    186.55405    179.32803    170.72893    168.10202 
   165.85412    160.76750    154.25059    151.09288    148.05254    142.17899 
   136.84776    134.40489    131.04251    127.73412    125.45996    123.94258 
   119.45670    118.07203    116.07627    113.10999    110.64411    105.87397 
   102.88191    100.82703     97.17849     94.98094     91.82910     90.22696 
    87.33740     84.42082     80.96385     78.97159     78.69052     73.23480 
    71.09393     70.04148     67.38202     63.91076     62.47772     59.64874 
    58.34184     55.87205     53.69322     52.45075     50.25025     48.07317 
    43.98685     39.56838     38.08929     35.98308     34.34811     30.29805 
    29.07861     28.67634     23.87204     21.84540     19.78105     16.28922 
    14.05072     12.99074     12.03152      9.26358      7.48375      4.65131 
overlap for current and previous eigenvector    109 is         0.9999913032
overlap for current and previous eigenvector    110 is         0.9999923790
overlap for current and previous eigenvector    111 is         0.9999932966
overlap for current and previous eigenvector    112 is         0.9999996393
overlap for current and previous eigenvector    113 is         0.9999992485
overlap for current and previous eigenvector    114 is        -0.9999989747
J1,K1,R1,R2,RAT=   7   7   -0.2720451437E-02     2.002557412        0.9972795486    
FOB,PFOB,DIAG,PSTEP=    0.3250606117E-06    0.3241786276E-06     714.9040624       -0.4534944949E-09
J1,K1,R1,R2,RAT=   8   8     1.896742530        0.1031922981        0.8967425303    
FOB,PFOB,DIAG,PSTEP=    0.6944664333E-07   -0.7743789844E-07     669.0629988        0.1157445891E-09
J1,K1,R1,R2,RAT=   9   9   -0.2145832896E-01     2.021357617        0.9785416710    
FOB,PFOB,DIAG,PSTEP=    0.2863794647E-06    0.2803630394E-06     621.2980562       -0.4512764128E-09
J1,K1,R1,R2,RAT=  10  10   -0.8208713799E-02     2.008116065        0.9917912862    
FOB,PFOB,DIAG,PSTEP=    0.8866353090E-06    0.8794160995E-06     601.6545699       -0.1461730507E-08
J1,K1,R1,R2,RAT=  11  11   -0.4937550604E-02     2.004906981        0.9950624494    
FOB,PFOB,DIAG,PSTEP=   -0.7519778741E-06   -0.7482831318E-06     589.3099209        0.1269781048E-08
J1,K1,R1,R2,RAT= 109 109   -0.1898995656E-01     2.019430933        0.9810100434    
FOB,PFOB,DIAG,PSTEP=   -0.2989499739E-04   -0.2933799299E-04     14.05071854        0.2087546316E-05
J1,K1,R1,R2,RAT= 110 110   -0.3909892218E-01     2.039895582        0.9609010778    
FOB,PFOB,DIAG,PSTEP=   -0.5094933553E-05   -0.4903296288E-05     12.99073653        0.3772953075E-06
J1,K1,R1,R2,RAT= 111 111   -0.2587208716E-01     2.026540311        0.9741279128    
FOB,PFOB,DIAG,PSTEP=   -0.3413180727E-04   -0.3327129688E-04     12.03152343        0.2764420022E-05
J1,K1,R1,R2,RAT= 112 112   -0.1509949339E-01     2.014671639        0.9849005066    
FOB,PFOB,DIAG,PSTEP=    0.2222184166E-04    0.2189122454E-04     9.263575923       -0.2363656201E-05
J1,K1,R1,R2,RAT= 113 113   -0.2007238383E-01     2.019532956        0.9799276162    
FOB,PFOB,DIAG,PSTEP=   -0.7210379617E-04   -0.7068460487E-04     7.483748837        0.9447627941E-05
J1,K1,R1,R2,RAT= 114 114    -87.16777595        0.9995445559        0.4554441000E-03
FOB,PFOB,DIAG,PSTEP=   -0.8201868963E-01    0.8015901341E-01     4.651308963        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00001      0.00001     -0.00000      0.00000      0.00001 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00001 
     0.00000     -0.00001      0.00000      0.00001     -0.00000     -0.00001 
     0.00001     -0.00000      0.00000     -0.00000     -0.00001      0.00000 
     0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00000 
     0.00000     -0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00003     -0.00002 
    -0.00001     -0.00002     -0.00000     -0.00000     -0.00003      0.00005 
    -0.00003     -0.00001     -0.00003      0.00002     -0.00007     -0.08202 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4316423522
 Log product of positive Hessian eigenvalues =          520.5191506870
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6513089633
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000001
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000015
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000031
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000076
 Unscaled step for mode   15=       -0.0000000026
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=       -0.0000000006
 Unscaled step for mode   18=       -0.0000000040
 Unscaled step for mode   19=       -0.0000000071
 Unscaled step for mode   20=       -0.0000000118
 Unscaled step for mode   21=       -0.0000000048
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000046
 Unscaled step for mode   24=       -0.0000000036
 Unscaled step for mode   25=        0.0000000099
 Unscaled step for mode   26=       -0.0000000137
 Unscaled step for mode   27=       -0.0000000104
 Unscaled step for mode   28=       -0.0000000088
 Unscaled step for mode   29=        0.0000000062
 Unscaled step for mode   30=        0.0000000070
 Unscaled step for mode   31=        0.0000000009
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000061
 Unscaled step for mode   34=       -0.0000000029
 Unscaled step for mode   35=       -0.0000000184
 Unscaled step for mode   36=       -0.0000000019
 Unscaled step for mode   37=        0.0000000077
 Unscaled step for mode   38=        0.0000000053
 Unscaled step for mode   39=        0.0000000140
 Unscaled step for mode   40=       -0.0000000020
 Unscaled step for mode   41=       -0.0000000041
 Unscaled step for mode   42=        0.0000000023
 Unscaled step for mode   43=       -0.0000000027
 Unscaled step for mode   44=       -0.0000000015
 Unscaled step for mode   45=        0.0000000070
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000224
 Unscaled step for mode   48=        0.0000000052
 Unscaled step for mode   49=       -0.0000000108
 Unscaled step for mode   50=        0.0000000111
 Unscaled step for mode   51=        0.0000000102
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000130
 Unscaled step for mode   54=        0.0000000023
 Unscaled step for mode   55=        0.0000000248
 Unscaled step for mode   56=       -0.0000000098
 Unscaled step for mode   57=       -0.0000000049
 Unscaled step for mode   58=       -0.0000000223
 Unscaled step for mode   59=       -0.0000000123
 Unscaled step for mode   60=        0.0000000209
 Unscaled step for mode   61=       -0.0000000175
 Unscaled step for mode   62=        0.0000000609
 Unscaled step for mode   63=       -0.0000000387
 Unscaled step for mode   64=        0.0000000054
 Unscaled step for mode   65=       -0.0000000095
 Unscaled step for mode   66=       -0.0000000416
 Unscaled step for mode   67=        0.0000000043
 Unscaled step for mode   68=       -0.0000000107
 Unscaled step for mode   69=       -0.0000000077
 Unscaled step for mode   70=        0.0000000107
 Unscaled step for mode   71=        0.0000000020
 Unscaled step for mode   72=        0.0000000547
 Unscaled step for mode   73=       -0.0000000099
 Unscaled step for mode   74=        0.0000000747
 Unscaled step for mode   75=       -0.0000000342
 Unscaled step for mode   76=       -0.0000000583
 Unscaled step for mode   77=        0.0000000000
 Unscaled step for mode   78=        0.0000001087
 Unscaled step for mode   79=       -0.0000001482
 Unscaled step for mode   80=        0.0000000239
 Unscaled step for mode   81=       -0.0000000358
 Unscaled step for mode   82=        0.0000000560
 Unscaled step for mode   83=        0.0000000920
 Unscaled step for mode   84=       -0.0000000458
 Unscaled step for mode   85=       -0.0000001184
 Unscaled step for mode   86=        0.0000001462
 Unscaled step for mode   87=       -0.0000000684
 Unscaled step for mode   88=        0.0000000112
 Unscaled step for mode   89=       -0.0000001432
 Unscaled step for mode   90=       -0.0000000629
 Unscaled step for mode   91=       -0.0000000217
 Unscaled step for mode   92=        0.0000001326
 Unscaled step for mode   93=        0.0000002614
 Unscaled step for mode   94=       -0.0000000852
 Unscaled step for mode   95=        0.0000002854
 Unscaled step for mode   96=        0.0000000839
 Unscaled step for mode   97=        0.0000001548
 Unscaled step for mode   98=       -0.0000001417
 Unscaled step for mode   99=       -0.0000001518
 Unscaled step for mode  100=        0.0000003813
 Unscaled step for mode  101=        0.0000009585
 Unscaled step for mode  102=        0.0000005180
 Unscaled step for mode  103=        0.0000003852
 Unscaled step for mode  104=        0.0000005978
 Unscaled step for mode  105=        0.0000001216
 Unscaled step for mode  106=        0.0000001574
 Unscaled step for mode  107=        0.0000015458
 Unscaled step for mode  108=       -0.0000030681
 Unscaled step for mode  109=        0.0000021276
 Unscaled step for mode  110=        0.0000003922
 Unscaled step for mode  111=        0.0000028369
 Unscaled step for mode  112=       -0.0000023988
 Unscaled step for mode  113=        0.0000096347
 Unscaled step for mode  114=       -0.0176279846
 Largest modulus ratio of non-zero e/values=           153.6995431    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.440078E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.106555E-14    0.100784E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.760893E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.930815E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.741075E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.300792E-15    0.973420E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.325061E-06    0.714904E+03 -0.454691E-09 0.540788E-04    0.997280E+00
   8    0.694466E-07    0.669063E+03 -0.103797E-09 0.540788E-04    0.896743E+00
   9    0.286379E-06    0.621298E+03 -0.460937E-09 0.540788E-04    0.978542E+00
  10    0.886635E-06    0.601655E+03 -0.147366E-08 0.540788E-04    0.991791E+00
  11   -0.751978E-06    0.589310E+03  0.127603E-08 0.540788E-04    0.995062E+00
  12    0.172127E-05    0.562243E+03 -0.306143E-08 0.540788E-04    0.991232E+00
  13    0.190168E-05    0.558656E+03 -0.340403E-08 0.540788E-04    0.995729E+00
  14   -0.361014E-05    0.477036E+03  0.756786E-08 0.611289E-04    0.991129E+00
  15    0.120850E-05    0.472007E+03 -0.256035E-08 0.540788E-04    0.992882E+00
  16    0.351751E-06    0.464362E+03 -0.757493E-09 0.540788E-04    0.982188E+00
  17    0.247541E-06    0.441830E+03 -0.560262E-09 0.611289E-04    0.974763E+00
  18    0.173190E-05    0.432595E+03 -0.400350E-08 0.540788E-04    0.989090E+00
  19    0.296077E-05    0.419777E+03 -0.705319E-08 0.540788E-04    0.986848E+00
  20    0.479042E-05    0.404871E+03 -0.118320E-07 0.540788E-04    0.990300E+00
  21    0.192363E-05    0.398640E+03 -0.482547E-08 0.540788E-04    0.984436E+00
  22   -0.954625E-06    0.387935E+03  0.246079E-08 0.540788E-04    0.998616E+00
  23   -0.169182E-05    0.366958E+03  0.461040E-08 0.540788E-04    0.993778E+00
  24    0.131302E-05    0.364790E+03 -0.359939E-08 0.540788E-04    0.990628E+00
  25   -0.350178E-05    0.353542E+03  0.990484E-08 0.540788E-04    0.986085E+00
  26    0.476558E-05    0.346715E+03 -0.137450E-07 0.540788E-04    0.984788E+00
  27    0.339356E-05    0.325326E+03 -0.104313E-07 0.540788E-04    0.985682E+00
  28    0.284392E-05    0.323736E+03 -0.878468E-08 0.540788E-04    0.987342E+00
  29   -0.197583E-05    0.319102E+03  0.619185E-08 0.540788E-04    0.977317E+00
  30   -0.220766E-05    0.315100E+03  0.700621E-08 0.540788E-04    0.988326E+00
  31   -0.263469E-06    0.305425E+03  0.862630E-09 0.611289E-04    0.953304E+00
  32    0.449528E-06    0.287265E+03 -0.156485E-08 0.540788E-04    0.998961E+00
  33    0.171331E-05    0.280162E+03 -0.611542E-08 0.540788E-04    0.984715E+00
  34    0.793959E-06    0.272132E+03 -0.291755E-08 0.611289E-04    0.988912E+00
  35    0.489592E-05    0.265942E+03 -0.184097E-07 0.540788E-04    0.983741E+00
  36    0.503933E-06    0.261670E+03 -0.192584E-08 0.540788E-04    0.982215E+00
  37   -0.198301E-05    0.257725E+03  0.769426E-08 0.540788E-04    0.983329E+00
  38   -0.134573E-05    0.253388E+03  0.531094E-08 0.540788E-04    0.985483E+00
  39   -0.342158E-05    0.245272E+03  0.139501E-07 0.540788E-04    0.983124E+00
  40    0.484051E-06    0.240268E+03 -0.201463E-08 0.540788E-04    0.953969E+00
  41    0.964214E-06    0.233553E+03 -0.412846E-08 0.540788E-04    0.970085E+00
  42   -0.518046E-06    0.228283E+03  0.226932E-08 0.540788E-04    0.971958E+00
  43    0.609789E-06    0.226116E+03 -0.269679E-08 0.540788E-04    0.981580E+00
  44    0.325549E-06    0.213365E+03 -0.152579E-08 0.540788E-04    0.975198E+00
  45   -0.148579E-05    0.211349E+03  0.703004E-08 0.540788E-04    0.975871E+00
  46    0.104381E-05    0.209944E+03 -0.497185E-08 0.540788E-04    0.980945E+00
  47   -0.453347E-05    0.202790E+03  0.223555E-07 0.540788E-04    0.981235E+00
  48   -0.104026E-05    0.198977E+03  0.522805E-08 0.540788E-04    0.990236E+00
  49    0.210892E-05    0.195118E+03 -0.108084E-07 0.611289E-04    0.979369E+00
  50   -0.213589E-05    0.191781E+03  0.111371E-07 0.540788E-04    0.983523E+00
  51   -0.190960E-05    0.186554E+03  0.102362E-07 0.540788E-04    0.982037E+00
  52    0.349411E-06    0.179328E+03 -0.194845E-08 0.540788E-04    0.987967E+00
  53   -0.222376E-05    0.170729E+03  0.130251E-07 0.540788E-04    0.982457E+00
  54   -0.383023E-06    0.168102E+03  0.227852E-08 0.540788E-04    0.964562E+00
  55   -0.411621E-05    0.165854E+03  0.248182E-07 0.540788E-04    0.982674E+00
  56    0.157761E-05    0.160767E+03 -0.981299E-08 0.540788E-04    0.984219E+00
  57    0.755467E-06    0.154251E+03 -0.489766E-08 0.540788E-04    0.984730E+00
  58    0.336397E-05    0.151093E+03 -0.222643E-07 0.540788E-04    0.984017E+00
  59    0.181550E-05    0.148053E+03 -0.122625E-07 0.611289E-04    0.978584E+00
  60   -0.296796E-05    0.142179E+03  0.208748E-07 0.540788E-04    0.979184E+00
  61    0.239292E-05    0.136848E+03 -0.174860E-07 0.540788E-04    0.982489E+00
  62   -0.818042E-05    0.134405E+03  0.608640E-07 0.540788E-04    0.983026E+00
  63    0.507337E-05    0.131043E+03 -0.387154E-07 0.540788E-04    0.983007E+00
  64   -0.686764E-06    0.127734E+03  0.537651E-08 0.540788E-04    0.978874E+00
  65    0.119626E-05    0.125460E+03 -0.953503E-08 0.540788E-04    0.986369E+00
  66    0.515982E-05    0.123943E+03 -0.416307E-07 0.540788E-04    0.981889E+00
  67   -0.514643E-06    0.119457E+03  0.430820E-08 0.540788E-04    0.986507E+00
  68    0.126790E-05    0.118072E+03 -0.107384E-07 0.540788E-04    0.980578E+00
  69    0.889596E-06    0.116076E+03 -0.766390E-08 0.540788E-04    0.993410E+00
  70   -0.120999E-05    0.113110E+03  0.106974E-07 0.540788E-04    0.965059E+00
  71   -0.220192E-06    0.110644E+03  0.199009E-08 0.540788E-04    0.986373E+00
  72   -0.579341E-05    0.105874E+03  0.547198E-07 0.611289E-04    0.980752E+00
  73    0.101610E-05    0.102882E+03 -0.987642E-08 0.540788E-04    0.965083E+00
  74   -0.753271E-05    0.100827E+03  0.747092E-07 0.540788E-04    0.980973E+00
  75    0.332444E-05    0.971785E+02 -0.342096E-07 0.540788E-04    0.976017E+00
  76    0.554061E-05    0.949809E+02 -0.583339E-07 0.540788E-04    0.979734E+00
  77   -0.345492E-08    0.918291E+02  0.376233E-10 0.739598E-04    0.118943E+02
  78   -0.980623E-05    0.902270E+02  0.108684E-06 0.540788E-04    0.978739E+00
  79    0.129472E-04    0.873374E+02 -0.148243E-06 0.540788E-04    0.981432E+00
  80   -0.201516E-05    0.844208E+02  0.238704E-07 0.540788E-04    0.976282E+00
  81    0.290064E-05    0.809639E+02 -0.358264E-07 0.540788E-04    0.977949E+00
  82   -0.441865E-05    0.789716E+02  0.559524E-07 0.540788E-04    0.975132E+00
  83   -0.724242E-05    0.786905E+02  0.920368E-07 0.611289E-04    0.986265E+00
  84    0.335540E-05    0.732348E+02 -0.458170E-07 0.540788E-04    0.978399E+00
  85    0.841613E-05    0.710939E+02 -0.118380E-06 0.611289E-04    0.981901E+00
  86   -0.102433E-04    0.700415E+02  0.146246E-06 0.540788E-04    0.979398E+00
  87    0.460604E-05    0.673820E+02 -0.683571E-07 0.540788E-04    0.986209E+00
  88   -0.715191E-06    0.639108E+02  0.111905E-07 0.540788E-04    0.973663E+00
  89    0.894533E-05    0.624777E+02 -0.143176E-06 0.540788E-04    0.980513E+00
  90    0.374949E-05    0.596487E+02 -0.628595E-07 0.540788E-04    0.978641E+00
  91    0.126644E-05    0.583418E+02 -0.217072E-07 0.540788E-04    0.990825E+00
  92   -0.741026E-05    0.558721E+02  0.132629E-06 0.540788E-04    0.975503E+00
  93   -0.140338E-04    0.536932E+02  0.261370E-06 0.540788E-04    0.980755E+00
  94    0.447013E-05    0.524507E+02 -0.852253E-07 0.540788E-04    0.976986E+00
  95   -0.143428E-04    0.502503E+02  0.285428E-06 0.611289E-04    0.981827E+00
  96   -0.403477E-05    0.480732E+02  0.839298E-07 0.540788E-04    0.982371E+00
  97   -0.680862E-05    0.439868E+02  0.154788E-06 0.540788E-04    0.978724E+00
  98    0.560587E-05    0.395684E+02 -0.141676E-06 0.540788E-04    0.981219E+00
  99    0.578071E-05    0.380893E+02 -0.151767E-06 0.540788E-04    0.973046E+00
 100   -0.137195E-04    0.359831E+02  0.381277E-06 0.540788E-04    0.981749E+00
 101   -0.329226E-04    0.343481E+02  0.958497E-06 0.540788E-04    0.977698E+00
 102   -0.156959E-04    0.302980E+02  0.518048E-06 0.540788E-04    0.982056E+00
 103   -0.112012E-04    0.290786E+02  0.385204E-06 0.611289E-04    0.979112E+00
 104   -0.171417E-04    0.286763E+02  0.597765E-06 0.540788E-04    0.980968E+00
 105   -0.290208E-05    0.238720E+02  0.121568E-06 0.540788E-04    0.954316E+00
 106   -0.343857E-05    0.218454E+02  0.157405E-06 0.540788E-04    0.989427E+00
 107   -0.305780E-04    0.197810E+02  0.154582E-05 0.611289E-04    0.976926E+00
 108    0.499766E-04    0.162892E+02 -0.306807E-05 0.540788E-04    0.982526E+00
 109   -0.298950E-04    0.140507E+02  0.212765E-05 0.540788E-04    0.981010E+00
 110   -0.509493E-05    0.129907E+02  0.392197E-06 0.540788E-04    0.960901E+00
 111   -0.341318E-04    0.120315E+02  0.283686E-05 0.540788E-04    0.974128E+00
 112    0.222218E-04    0.926358E+01 -0.239884E-05 0.540788E-04    0.984901E+00
 113   -0.721038E-04    0.748375E+01  0.963472E-05 0.540788E-04    0.979928E+00
 114   -0.820187E-01    0.465131E+01 -0.400000E-03 0.400000E-03    0.455444E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1762798458E-01

 Beginning of optimization cycle   23.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4023370584
 potential> RMS force:                                               0.0078560691   |gradient|=.8387986427E-01
 Eigenvalues of the Hessian matrix:
   714.96235    669.08475    621.32921    601.68229    589.31879    562.26876 
   558.69279    477.04761    471.98574    464.34845    441.82485    432.58312 
   419.78396    404.88070    398.63715    387.94151    366.95613    364.77933 
   353.53010    346.67430    325.29154    323.74024    319.09957    315.12189 
   305.42488    287.26477    280.16048    272.12341    265.93890    261.67340 
   257.72238    253.38643    245.25588    240.25789    233.56018    228.28538 
   226.09862    213.35342    211.34178    209.94861    202.79084    198.97155 
   195.12038    191.77867    186.55540    179.31344    170.72674    168.10369 
   165.85270    160.76631    154.24271    151.09218    148.05898    142.18459 
   136.84874    134.40802    131.04250    127.73366    125.46309    123.95159 
   119.45560    118.06971    116.08032    113.10537    110.64018    105.86998 
   102.88040    100.82324     97.18015     94.98161     91.82206     90.23096 
    87.34695     84.42084     80.96193     78.97148     78.69258     73.23242 
    71.09712     70.03344     67.38591     63.90425     62.47665     59.64926 
    58.34461     55.87100     53.69368     52.44850     50.25127     48.07234 
    43.98283     39.57184     38.08198     35.98654     34.35148     30.28798 
    29.07735     28.67682     23.86623     21.84576     19.77599     16.29502 
    14.04763     12.98555     12.02746      9.26556      7.48575      4.65481 
overlap for current and previous eigenvector    109 is         0.9999913340
overlap for current and previous eigenvector    110 is        -0.9999923077
overlap for current and previous eigenvector    111 is        -0.9999931550
overlap for current and previous eigenvector    112 is        -0.9999996401
overlap for current and previous eigenvector    113 is         0.9999992514
overlap for current and previous eigenvector    114 is        -0.9999989793
J1,K1,R1,R2,RAT=   7   7   -0.2493401575E-02     2.002330349        0.9975065984    
FOB,PFOB,DIAG,PSTEP=    0.3258711844E-06    0.3250606117E-06     714.9623505       -0.4546912359E-09
J1,K1,R1,R2,RAT=   8   8    0.1165769909         1.883358003        0.8833580035    
FOB,PFOB,DIAG,PSTEP=    0.6135049948E-07    0.6944664333E-07     669.0847459       -0.1037968673E-09
J1,K1,R1,R2,RAT=   9   9   -0.2103047216E-01     2.020930194        0.9789695278    
FOB,PFOB,DIAG,PSTEP=    0.2924024621E-06    0.2863794647E-06     621.3292090       -0.4609373261E-09
J1,K1,R1,R2,RAT=  10  10   -0.8089374016E-02     2.007997216        0.9919106260    
FOB,PFOB,DIAG,PSTEP=    0.8938079641E-06    0.8866353090E-06     601.6822948       -0.1473661721E-08
J1,K1,R1,R2,RAT=  11  11   -0.4854019609E-02     2.004823912        0.9951459804    
FOB,PFOB,DIAG,PSTEP=   -0.7556280444E-06   -0.7519778741E-06     589.3187923        0.1276031249E-08
J1,K1,R1,R2,RAT= 109 109   -0.1849788475E-01     2.018937150        0.9815021153    
FOB,PFOB,DIAG,PSTEP=   -0.3044787018E-04   -0.2989499739E-04     14.04763323        0.2127649009E-05
J1,K1,R1,R2,RAT= 110 110     2.039611102       -0.3881152446E-01    0.9611884755    
FOB,PFOB,DIAG,PSTEP=    0.5292596668E-05   -0.5094933553E-05     12.98554506        0.3921974354E-06
J1,K1,R1,R2,RAT= 111 111     2.026007872       -0.2533146401E-01    0.9746685360    
FOB,PFOB,DIAG,PSTEP=    0.3499612360E-04   -0.3413180727E-04     12.02745570        0.2836864963E-05
J1,K1,R1,R2,RAT= 112 112     2.014100738       -0.1452876138E-01    0.9854712386    
FOB,PFOB,DIAG,PSTEP=   -0.2254476661E-04    0.2222184166E-04     9.265558862       -0.2398840561E-05
J1,K1,R1,R2,RAT= 113 113   -0.1956772128E-01     2.019034351        0.9804322787    
FOB,PFOB,DIAG,PSTEP=   -0.7351507952E-04   -0.7210379617E-04     7.485745176        0.9634716200E-05
J1,K1,R1,R2,RAT= 114 114    -89.10056928        0.9995479370        0.4520630297E-03
FOB,PFOB,DIAG,PSTEP=    0.8387977162E-01   -0.8201868963E-01     4.654809239       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001     -0.00000      0.00001 
    -0.00001     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00001      0.00001     -0.00000     -0.00000     -0.00001      0.00000 
    -0.00000      0.00001      0.00001      0.00000      0.00001      0.00000 
    -0.00001      0.00001      0.00001      0.00001      0.00003      0.00002 
     0.00001     -0.00002     -0.00000      0.00000     -0.00003      0.00005 
    -0.00003      0.00001      0.00003     -0.00002     -0.00007      0.08388 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4317383632
 Log product of positive Hessian eigenvalues =          520.5185785433
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6548092392
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000001
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000015
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000031
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000076
 Unscaled step for mode   15=       -0.0000000026
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=       -0.0000000006
 Unscaled step for mode   18=       -0.0000000040
 Unscaled step for mode   19=       -0.0000000071
 Unscaled step for mode   20=       -0.0000000119
 Unscaled step for mode   21=       -0.0000000049
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000046
 Unscaled step for mode   24=       -0.0000000036
 Unscaled step for mode   25=        0.0000000100
 Unscaled step for mode   26=       -0.0000000140
 Unscaled step for mode   27=       -0.0000000106
 Unscaled step for mode   28=       -0.0000000089
 Unscaled step for mode   29=        0.0000000063
 Unscaled step for mode   30=        0.0000000071
 Unscaled step for mode   31=        0.0000000009
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000062
 Unscaled step for mode   34=       -0.0000000029
 Unscaled step for mode   35=       -0.0000000187
 Unscaled step for mode   36=       -0.0000000020
 Unscaled step for mode   37=        0.0000000078
 Unscaled step for mode   38=        0.0000000054
 Unscaled step for mode   39=        0.0000000142
 Unscaled step for mode   40=       -0.0000000021
 Unscaled step for mode   41=       -0.0000000043
 Unscaled step for mode   42=        0.0000000023
 Unscaled step for mode   43=       -0.0000000027
 Unscaled step for mode   44=       -0.0000000015
 Unscaled step for mode   45=        0.0000000072
 Unscaled step for mode   46=        0.0000000051
 Unscaled step for mode   47=        0.0000000228
 Unscaled step for mode   48=        0.0000000053
 Unscaled step for mode   49=       -0.0000000110
 Unscaled step for mode   50=        0.0000000113
 Unscaled step for mode   51=        0.0000000104
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000133
 Unscaled step for mode   54=        0.0000000024
 Unscaled step for mode   55=       -0.0000000252
 Unscaled step for mode   56=        0.0000000100
 Unscaled step for mode   57=        0.0000000050
 Unscaled step for mode   58=        0.0000000226
 Unscaled step for mode   59=        0.0000000125
 Unscaled step for mode   60=       -0.0000000213
 Unscaled step for mode   61=        0.0000000178
 Unscaled step for mode   62=        0.0000000619
 Unscaled step for mode   63=       -0.0000000394
 Unscaled step for mode   64=       -0.0000000055
 Unscaled step for mode   65=        0.0000000097
 Unscaled step for mode   66=        0.0000000424
 Unscaled step for mode   67=       -0.0000000044
 Unscaled step for mode   68=        0.0000000109
 Unscaled step for mode   69=       -0.0000000077
 Unscaled step for mode   70=       -0.0000000111
 Unscaled step for mode   71=        0.0000000020
 Unscaled step for mode   72=        0.0000000558
 Unscaled step for mode   73=        0.0000000102
 Unscaled step for mode   74=       -0.0000000761
 Unscaled step for mode   75=       -0.0000000350
 Unscaled step for mode   76=       -0.0000000595
 Unscaled step for mode   77=        0.0000000001
 Unscaled step for mode   78=       -0.0000001110
 Unscaled step for mode   79=        0.0000001509
 Unscaled step for mode   80=        0.0000000244
 Unscaled step for mode   81=        0.0000000366
 Unscaled step for mode   82=        0.0000000573
 Unscaled step for mode   83=       -0.0000000933
 Unscaled step for mode   84=       -0.0000000468
 Unscaled step for mode   85=        0.0000001205
 Unscaled step for mode   86=       -0.0000001492
 Unscaled step for mode   87=        0.0000000693
 Unscaled step for mode   88=        0.0000000115
 Unscaled step for mode   89=        0.0000001459
 Unscaled step for mode   90=       -0.0000000642
 Unscaled step for mode   91=        0.0000000219
 Unscaled step for mode   92=       -0.0000001358
 Unscaled step for mode   93=       -0.0000002663
 Unscaled step for mode   94=       -0.0000000872
 Unscaled step for mode   95=       -0.0000002905
 Unscaled step for mode   96=       -0.0000000854
 Unscaled step for mode   97=        0.0000001580
 Unscaled step for mode   98=       -0.0000001443
 Unscaled step for mode   99=       -0.0000001558
 Unscaled step for mode  100=       -0.0000003880
 Unscaled step for mode  101=       -0.0000009793
 Unscaled step for mode  102=       -0.0000005273
 Unscaled step for mode  103=       -0.0000003931
 Unscaled step for mode  104=        0.0000006089
 Unscaled step for mode  105=        0.0000001270
 Unscaled step for mode  106=       -0.0000001590
 Unscaled step for mode  107=        0.0000015811
 Unscaled step for mode  108=       -0.0000031190
 Unscaled step for mode  109=        0.0000021675
 Unscaled step for mode  110=       -0.0000004076
 Unscaled step for mode  111=       -0.0000029097
 Unscaled step for mode  112=        0.0000024332
 Unscaled step for mode  113=        0.0000098207
 Unscaled step for mode  114=        0.0180141758
 Largest modulus ratio of non-zero e/values=           153.5964878    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.134007E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.424194E-15    0.100784E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.153725E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.648578E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.189085E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.206662E-15    0.973421E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.325871E-06    0.714962E+03 -0.455788E-09 0.487196E-04    0.997507E+00
   8    0.613505E-07    0.669085E+03 -0.916932E-10 0.487196E-04    0.883358E+00
   9    0.292402E-06    0.621329E+03 -0.470608E-09 0.487196E-04    0.978970E+00
  10    0.893808E-06    0.601682E+03 -0.148551E-08 0.487196E-04    0.991911E+00
  11   -0.755628E-06    0.589319E+03  0.128221E-08 0.487196E-04    0.995146E+00
  12    0.173620E-05    0.562269E+03 -0.308785E-08 0.487196E-04    0.991325E+00
  13    0.190956E-05    0.558693E+03 -0.341791E-08 0.487196E-04    0.995855E+00
  14   -0.364170E-05    0.477048E+03  0.763382E-08 0.550711E-04    0.991258E+00
  15    0.121700E-05    0.471986E+03 -0.257846E-08 0.487196E-04    0.992973E+00
  16    0.357993E-06    0.464348E+03 -0.770959E-09 0.487196E-04    0.982253E+00
  17    0.253717E-06    0.441825E+03 -0.574247E-09 0.550711E-04    0.975051E+00
  18    0.175057E-05    0.432583E+03 -0.404679E-08 0.487196E-04    0.989217E+00
  19    0.299931E-05    0.419784E+03 -0.714488E-08 0.487196E-04    0.986983E+00
  20    0.483621E-05    0.404881E+03 -0.119448E-07 0.487196E-04    0.990442E+00
  21    0.195319E-05    0.398637E+03 -0.489967E-08 0.487196E-04    0.984632E+00
  22   -0.955719E-06    0.387942E+03  0.246356E-08 0.487196E-04    0.998855E+00
  23   -0.170209E-05    0.366956E+03  0.463840E-08 0.487196E-04    0.993931E+00
  24    0.132511E-05    0.364779E+03 -0.363263E-08 0.487196E-04    0.990796E+00
  25   -0.354997E-05    0.353530E+03  0.100415E-07 0.487196E-04    0.986238E+00
  26    0.483733E-05    0.346674E+03 -0.139535E-07 0.487196E-04    0.984944E+00
  27    0.344149E-05    0.325292E+03 -0.105797E-07 0.487196E-04    0.985875E+00
  28    0.287937E-05    0.323740E+03 -0.889407E-08 0.487196E-04    0.987534E+00
  29   -0.202021E-05    0.319100E+03  0.633096E-08 0.487196E-04    0.977541E+00
  30   -0.223317E-05    0.315122E+03  0.708667E-08 0.487196E-04    0.988446E+00
  31   -0.275440E-06    0.305425E+03  0.901827E-09 0.550711E-04    0.954560E+00
  32    0.448887E-06    0.287265E+03 -0.156263E-08 0.487196E-04    0.998575E+00
  33    0.173916E-05    0.280160E+03 -0.620774E-08 0.487196E-04    0.984911E+00
  34    0.802675E-06    0.272123E+03 -0.294967E-08 0.550711E-04    0.989022E+00
  35    0.497450E-05    0.265939E+03 -0.187054E-07 0.487196E-04    0.983950E+00
  36    0.512872E-06    0.261673E+03 -0.195997E-08 0.487196E-04    0.982262E+00
  37   -0.201567E-05    0.257722E+03  0.782108E-08 0.487196E-04    0.983529E+00
  38   -0.136498E-05    0.253386E+03  0.538695E-08 0.487196E-04    0.985694E+00
  39   -0.347861E-05    0.245256E+03  0.141836E-07 0.487196E-04    0.983333E+00
  40    0.505831E-06    0.240258E+03 -0.210537E-08 0.487196E-04    0.955003E+00
  41    0.992661E-06    0.233560E+03 -0.425013E-08 0.487196E-04    0.970499E+00
  42   -0.532366E-06    0.228285E+03  0.233202E-08 0.487196E-04    0.972357E+00
  43    0.620906E-06    0.226099E+03 -0.274617E-08 0.487196E-04    0.981769E+00
  44    0.316753E-06    0.213353E+03 -0.148464E-08 0.487196E-04    0.972978E+00
  45   -0.152099E-05    0.211342E+03  0.719683E-08 0.487196E-04    0.976307E+00
  46   -0.106380E-05    0.209949E+03  0.506694E-08 0.487196E-04    0.980853E+00
  47   -0.461741E-05    0.202791E+03  0.227693E-07 0.487196E-04    0.981485E+00
  48   -0.105007E-05    0.198972E+03  0.527748E-08 0.487196E-04    0.990573E+00
  49    0.215189E-05    0.195120E+03 -0.110285E-07 0.550711E-04    0.979624E+00
  50   -0.217054E-05    0.191779E+03  0.113180E-07 0.487196E-04    0.983778E+00
  51   -0.194339E-05    0.186555E+03  0.104172E-07 0.487196E-04    0.982306E+00
  52    0.353505E-06    0.179313E+03 -0.197143E-08 0.487196E-04    0.988284E+00
  53   -0.226213E-05    0.170727E+03  0.132500E-07 0.487196E-04    0.982744E+00
  54   -0.396415E-06    0.168104E+03  0.235816E-08 0.487196E-04    0.965037E+00
  55    0.418640E-05    0.165853E+03 -0.252417E-07 0.487196E-04    0.982946E+00
  56   -0.160210E-05    0.160766E+03  0.996537E-08 0.487196E-04    0.984479E+00
  57   -0.766796E-06    0.154243E+03  0.497136E-08 0.487196E-04    0.985003E+00
  58   -0.341684E-05    0.151092E+03  0.226143E-07 0.487196E-04    0.984284E+00
  59   -0.185375E-05    0.148059E+03  0.125204E-07 0.550711E-04    0.978927E+00
  60    0.302874E-05    0.142185E+03 -0.213015E-07 0.487196E-04    0.979524E+00
  61   -0.243416E-05    0.136849E+03  0.177872E-07 0.487196E-04    0.982766E+00
  62   -0.831683E-05    0.134408E+03  0.618775E-07 0.487196E-04    0.983325E+00
  63    0.515809E-05    0.131043E+03 -0.393619E-07 0.487196E-04    0.983301E+00
  64    0.701101E-06    0.127734E+03 -0.548877E-08 0.487196E-04    0.979124E+00
  65   -0.121209E-05    0.125463E+03  0.966096E-08 0.487196E-04    0.986768E+00
  66   -0.525170E-05    0.123952E+03  0.423690E-07 0.487196E-04    0.982193E+00
  67    0.521457E-06    0.119456E+03 -0.436528E-08 0.487196E-04    0.986759E+00
  68   -0.129213E-05    0.118070E+03  0.109438E-07 0.487196E-04    0.980889E+00
  69    0.895082E-06    0.116080E+03 -0.771089E-08 0.487196E-04    0.993834E+00
  70    0.125145E-05    0.113105E+03 -0.110645E-07 0.487196E-04    0.965732E+00
  71   -0.223079E-06    0.110640E+03  0.201626E-08 0.487196E-04    0.986886E+00
  72   -0.590306E-05    0.105870E+03  0.557576E-07 0.550711E-04    0.981072E+00
  73   -0.105103E-05    0.102880E+03  0.102161E-07 0.487196E-04    0.965626E+00
  74    0.767344E-05    0.100823E+03 -0.761079E-07 0.487196E-04    0.981316E+00
  75    0.340300E-05    0.971802E+02 -0.350175E-07 0.487196E-04    0.976369E+00
  76    0.565100E-05    0.949816E+02 -0.594957E-07 0.487196E-04    0.980076E+00
  77   -0.726049E-08    0.918221E+02  0.790713E-10 0.806162E-04    0.101580E+00
  78    0.100112E-04    0.902310E+02 -0.110951E-06 0.487196E-04    0.979096E+00
  79   -0.131827E-04    0.873470E+02  0.150923E-06 0.487196E-04    0.981811E+00
  80   -0.206224E-05    0.844208E+02  0.244280E-07 0.487196E-04    0.976640E+00
  81   -0.296346E-05    0.809619E+02  0.366032E-07 0.487196E-04    0.978341E+00
  82   -0.452762E-05    0.789715E+02  0.573323E-07 0.487196E-04    0.975339E+00
  83    0.733817E-05    0.786926E+02 -0.932511E-07 0.550711E-04    0.986780E+00
  84    0.342662E-05    0.732324E+02 -0.467911E-07 0.487196E-04    0.978773E+00
  85   -0.856553E-05    0.710971E+02  0.120476E-06 0.550711E-04    0.982250E+00
  86    0.104500E-04    0.700334E+02 -0.149215E-06 0.487196E-04    0.979815E+00
  87   -0.466757E-05    0.673859E+02  0.692663E-07 0.487196E-04    0.986641E+00
  88   -0.733339E-06    0.639043E+02  0.114756E-07 0.487196E-04    0.974623E+00
  89   -0.911622E-05    0.624766E+02  0.145914E-06 0.487196E-04    0.980897E+00
  90    0.382805E-05    0.596493E+02 -0.641760E-07 0.487196E-04    0.979048E+00
  91   -0.127748E-05    0.583446E+02  0.218954E-07 0.487196E-04    0.991285E+00
  92    0.758868E-05    0.558710E+02 -0.135825E-06 0.487196E-04    0.975922E+00
  93    0.142979E-04    0.536937E+02 -0.266287E-06 0.487196E-04    0.981181E+00
  94    0.457119E-05    0.524485E+02 -0.871557E-07 0.487196E-04    0.977393E+00
  95    0.145974E-04    0.502513E+02 -0.290487E-06 0.550711E-04    0.982253E+00
  96    0.410423E-05    0.480723E+02 -0.853760E-07 0.487196E-04    0.982787E+00
  97   -0.695047E-05    0.439828E+02  0.158027E-06 0.487196E-04    0.979164E+00
  98    0.570885E-05    0.395718E+02 -0.144265E-06 0.487196E-04    0.981633E+00
  99    0.593382E-05    0.380820E+02 -0.155817E-06 0.487196E-04    0.973509E+00
 100    0.139642E-04    0.359865E+02 -0.388041E-06 0.487196E-04    0.982165E+00
 101    0.336409E-04    0.343515E+02 -0.979316E-06 0.487196E-04    0.978182E+00
 102    0.159704E-04    0.302880E+02 -0.527286E-06 0.487196E-04    0.982500E+00
 103    0.114300E-04    0.290774E+02 -0.393090E-06 0.550711E-04    0.979569E+00
 104   -0.174599E-04    0.286768E+02  0.608851E-06 0.487196E-04    0.981438E+00
 105   -0.303112E-05    0.238662E+02  0.127005E-06 0.487196E-04    0.955525E+00
 106    0.347273E-05    0.218458E+02 -0.158966E-06 0.487196E-04    0.990065E+00
 107   -0.312684E-04    0.197760E+02  0.158113E-05 0.550711E-04    0.977416E+00
 108    0.508246E-04    0.162950E+02 -0.311903E-05 0.487196E-04    0.983036E+00
 109   -0.304479E-04    0.140476E+02  0.216747E-05 0.487196E-04    0.981502E+00
 110    0.529260E-05    0.129855E+02 -0.407576E-06 0.487196E-04    0.961188E+00
 111    0.349961E-04    0.120275E+02 -0.290969E-05 0.487196E-04    0.974669E+00
 112   -0.225448E-04    0.926556E+01  0.243318E-05 0.487196E-04    0.985471E+00
 113   -0.735151E-04    0.748575E+01  0.982068E-05 0.487196E-04    0.980432E+00
 114    0.838798E-01    0.465481E+01  0.400000E-03 0.400000E-03    0.452063E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1801417576E-01

 Beginning of optimization cycle   24.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4023031347
 potential> RMS force:                                               0.0080305057   |gradient|=.8574233732E-01
 Eigenvalues of the Hessian matrix:
   715.02065    669.10644    621.36023    601.70987    589.32753    562.29409 
   558.72943    477.05965    471.96450    464.33502    441.81976    432.57114 
   419.79090    404.89058    398.63395    387.94828    366.95480    364.76845 
   353.51791    346.63403    325.25719    323.74463    319.09712    315.14384 
   305.42491    287.26470    280.15857    272.11495    265.93541    261.67723 
   257.71939    253.38511    245.23944    240.24804    233.56719    228.28790 
   226.08076    213.34239    211.33497    209.95320    202.79167    198.96621 
   195.12273    191.77593    186.55666    179.29884    170.72459    168.10535 
   165.85128    160.76509    154.23486    151.09150    148.06544    142.19016 
   136.84972    134.41119    131.04248    127.73320    125.46622    123.96057 
   119.45452    118.06741    116.08437    113.10071    110.63619    105.86598 
   102.87891    100.81944     97.18180     94.98227     91.81503     90.23498 
    87.35654     84.42087     80.96004     78.97138     78.69463     73.23003 
    71.10030     70.02540     67.38980     63.89777     62.47554     59.64977 
    58.34740     55.86994     53.69412     52.44625     50.25228     48.07151 
    43.97881     39.57528     38.07465     35.98996     34.35491     30.27792 
    29.07610     28.67732     23.86043     21.84613     19.77100     16.30078 
    14.04456     12.98034     12.02334      9.26754      7.48772      4.65827 
overlap for current and previous eigenvector    109 is         0.9999913667
overlap for current and previous eigenvector    110 is        -0.9999922356
overlap for current and previous eigenvector    111 is        -0.9999930116
overlap for current and previous eigenvector    112 is        -0.9999996408
overlap for current and previous eigenvector    113 is         0.9999992541
overlap for current and previous eigenvector    114 is        -0.9999989839
J1,K1,R1,R2,RAT=   7   7   -0.2265015657E-02     2.002101951        0.9977349843    
FOB,PFOB,DIAG,PSTEP=    0.3266093480E-06    0.3258711844E-06     715.0206479       -0.4557878946E-09
J1,K1,R1,R2,RAT=   8   8    0.1336652015         1.866269959        0.8662699593    
FOB,PFOB,DIAG,PSTEP=    0.5314980674E-07    0.6135049948E-07     669.1064381       -0.9169316719E-10
J1,K1,R1,R2,RAT=   9   9   -0.2061562855E-01     2.020515784        0.9793843715    
FOB,PFOB,DIAG,PSTEP=    0.2984308236E-06    0.2924024621E-06     621.3602288       -0.4706079448E-09
J1,K1,R1,R2,RAT=  10  10   -0.7972062674E-02     2.007880394        0.9920279373    
FOB,PFOB,DIAG,PSTEP=    0.9009337838E-06    0.8938079641E-06     601.7098738       -0.1485514817E-08
J1,K1,R1,R2,RAT=  11  11   -0.4772101720E-02     2.004742454        0.9952278983    
FOB,PFOB,DIAG,PSTEP=   -0.7592340318E-06   -0.7556280444E-06     589.3275282        0.1282205920E-08
J1,K1,R1,R2,RAT= 109 109   -0.1802653659E-01     2.018464042        0.9819734634    
FOB,PFOB,DIAG,PSTEP=   -0.3099661978E-04   -0.3044787018E-04     14.04456094        0.2167473316E-05
J1,K1,R1,R2,RAT= 110 110     2.039334178       -0.3853179226E-01    0.9614682077    
FOB,PFOB,DIAG,PSTEP=   -0.5496448119E-05    0.5292596668E-05     12.98033744       -0.4075760119E-06
J1,K1,R1,R2,RAT= 111 111     2.025496471       -0.2481175126E-01    0.9751882487    
FOB,PFOB,DIAG,PSTEP=   -0.3586414154E-04    0.3499612360E-04     12.02333939       -0.2909686345E-05
J1,K1,R1,R2,RAT= 112 112     2.013551005       -0.1397918474E-01    0.9860208153    
FOB,PFOB,DIAG,PSTEP=    0.2285999155E-04   -0.2254476661E-04     9.267542950        0.2433179363E-05
J1,K1,R1,R2,RAT= 113 113   -0.1908428672E-01     2.018556924        0.9809157133    
FOB,PFOB,DIAG,PSTEP=   -0.7491843241E-04   -0.7351507952E-04     7.487719550        0.9820676203E-05
J1,K1,R1,R2,RAT= 114 114    -91.03274990        0.9995513174        0.4486825576E-03
FOB,PFOB,DIAG,PSTEP=   -0.8574224319E-01    0.8387977162E-01     4.658269002        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00001      0.00001     -0.00000      0.00000      0.00001 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00001 
     0.00000     -0.00001     -0.00000     -0.00001     -0.00000     -0.00001 
     0.00001     -0.00000      0.00000     -0.00000     -0.00001      0.00000 
    -0.00001     -0.00001     -0.00000     -0.00000      0.00001      0.00000 
     0.00000     -0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00001      0.00001      0.00001      0.00001      0.00003      0.00002 
     0.00001      0.00002      0.00000      0.00000     -0.00003     -0.00005 
    -0.00003     -0.00001     -0.00004      0.00002     -0.00007     -0.08574 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4318342106
 Log product of positive Hessian eigenvalues =          520.5179908631
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6582690019
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000001
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000015
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000031
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000077
 Unscaled step for mode   15=       -0.0000000026
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=       -0.0000000006
 Unscaled step for mode   18=       -0.0000000041
 Unscaled step for mode   19=       -0.0000000072
 Unscaled step for mode   20=       -0.0000000121
 Unscaled step for mode   21=       -0.0000000050
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000037
 Unscaled step for mode   25=        0.0000000102
 Unscaled step for mode   26=       -0.0000000142
 Unscaled step for mode   27=       -0.0000000107
 Unscaled step for mode   28=       -0.0000000090
 Unscaled step for mode   29=        0.0000000065
 Unscaled step for mode   30=        0.0000000072
 Unscaled step for mode   31=        0.0000000009
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000063
 Unscaled step for mode   34=       -0.0000000030
 Unscaled step for mode   35=       -0.0000000190
 Unscaled step for mode   36=       -0.0000000020
 Unscaled step for mode   37=        0.0000000079
 Unscaled step for mode   38=        0.0000000055
 Unscaled step for mode   39=        0.0000000144
 Unscaled step for mode   40=       -0.0000000022
 Unscaled step for mode   41=       -0.0000000044
 Unscaled step for mode   42=        0.0000000024
 Unscaled step for mode   43=       -0.0000000028
 Unscaled step for mode   44=       -0.0000000014
 Unscaled step for mode   45=        0.0000000074
 Unscaled step for mode   46=        0.0000000052
 Unscaled step for mode   47=        0.0000000232
 Unscaled step for mode   48=        0.0000000053
 Unscaled step for mode   49=       -0.0000000113
 Unscaled step for mode   50=        0.0000000115
 Unscaled step for mode   51=        0.0000000106
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000135
 Unscaled step for mode   54=        0.0000000024
 Unscaled step for mode   55=        0.0000000257
 Unscaled step for mode   56=       -0.0000000101
 Unscaled step for mode   57=        0.0000000050
 Unscaled step for mode   58=       -0.0000000230
 Unscaled step for mode   59=       -0.0000000128
 Unscaled step for mode   60=       -0.0000000217
 Unscaled step for mode   61=       -0.0000000181
 Unscaled step for mode   62=        0.0000000629
 Unscaled step for mode   63=       -0.0000000400
 Unscaled step for mode   64=        0.0000000056
 Unscaled step for mode   65=       -0.0000000098
 Unscaled step for mode   66=       -0.0000000431
 Unscaled step for mode   67=        0.0000000044
 Unscaled step for mode   68=       -0.0000000111
 Unscaled step for mode   69=       -0.0000000078
 Unscaled step for mode   70=        0.0000000114
 Unscaled step for mode   71=        0.0000000020
 Unscaled step for mode   72=        0.0000000568
 Unscaled step for mode   73=       -0.0000000106
 Unscaled step for mode   74=        0.0000000775
 Unscaled step for mode   75=        0.0000000358
 Unscaled step for mode   76=        0.0000000607
 Unscaled step for mode   77=        0.0000000001
 Unscaled step for mode   78=        0.0000001132
 Unscaled step for mode   79=       -0.0000001536
 Unscaled step for mode   80=        0.0000000250
 Unscaled step for mode   81=       -0.0000000374
 Unscaled step for mode   82=        0.0000000587
 Unscaled step for mode   83=        0.0000000944
 Unscaled step for mode   84=       -0.0000000478
 Unscaled step for mode   85=        0.0000001226
 Unscaled step for mode   86=        0.0000001522
 Unscaled step for mode   87=        0.0000000702
 Unscaled step for mode   88=        0.0000000118
 Unscaled step for mode   89=       -0.0000001487
 Unscaled step for mode   90=       -0.0000000655
 Unscaled step for mode   91=       -0.0000000221
 Unscaled step for mode   92=        0.0000001390
 Unscaled step for mode   93=        0.0000002712
 Unscaled step for mode   94=       -0.0000000891
 Unscaled step for mode   95=        0.0000002955
 Unscaled step for mode   96=        0.0000000868
 Unscaled step for mode   97=        0.0000001613
 Unscaled step for mode   98=       -0.0000001468
 Unscaled step for mode   99=       -0.0000001599
 Unscaled step for mode  100=       -0.0000003948
 Unscaled step for mode  101=       -0.0000010001
 Unscaled step for mode  102=       -0.0000005365
 Unscaled step for mode  103=       -0.0000004010
 Unscaled step for mode  104=       -0.0000006199
 Unscaled step for mode  105=       -0.0000001325
 Unscaled step for mode  106=       -0.0000001604
 Unscaled step for mode  107=        0.0000016165
 Unscaled step for mode  108=        0.0000031693
 Unscaled step for mode  109=        0.0000022070
 Unscaled step for mode  110=        0.0000004234
 Unscaled step for mode  111=        0.0000029829
 Unscaled step for mode  112=       -0.0000024667
 Unscaled step for mode  113=        0.0000100055
 Unscaled step for mode  114=       -0.0184002284
 Largest modulus ratio of non-zero e/values=           153.4949243    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.512719E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.130050E-15    0.100784E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.401521E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.755255E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.380109E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.779758E-15    0.973422E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.326609E-06    0.715021E+03 -0.456783E-09 0.438916E-04    0.997735E+00
   8    0.531498E-07    0.669106E+03 -0.794340E-10 0.438916E-04    0.866270E+00
   9    0.298431E-06    0.621360E+03 -0.480286E-09 0.438916E-04    0.979384E+00
  10    0.900934E-06    0.601710E+03 -0.149729E-08 0.438916E-04    0.992028E+00
  11   -0.759234E-06    0.589328E+03  0.128831E-08 0.438916E-04    0.995228E+00
  12    0.175111E-05    0.562294E+03 -0.311422E-08 0.438916E-04    0.991416E+00
  13    0.191724E-05    0.558729E+03 -0.343143E-08 0.438916E-04    0.995979E+00
  14   -0.367307E-05    0.477060E+03  0.769940E-08 0.496136E-04    0.991385E+00
  15    0.122544E-05    0.471965E+03 -0.259646E-08 0.438916E-04    0.993063E+00
  16    0.364323E-06    0.464335E+03 -0.784613E-09 0.438916E-04    0.982318E+00
  17    0.259975E-06    0.441820E+03 -0.588418E-09 0.496136E-04    0.975333E+00
  18    0.176923E-05    0.432571E+03 -0.409004E-08 0.438916E-04    0.989340E+00
  19    0.303795E-05    0.419791E+03 -0.723682E-08 0.438916E-04    0.987116E+00
  20    0.488177E-05    0.404891E+03 -0.120570E-07 0.438916E-04    0.990581E+00
  21    0.198283E-05    0.398634E+03 -0.497407E-08 0.438916E-04    0.984824E+00
  22   -0.956586E-06    0.387948E+03  0.246576E-08 0.438916E-04    0.999093E+00
  23   -0.171216E-05    0.366955E+03  0.466587E-08 0.438916E-04    0.994082E+00
  24    0.133708E-05    0.364768E+03 -0.366556E-08 0.438916E-04    0.990962E+00
  25   -0.359829E-05    0.353518E+03  0.101785E-07 0.438916E-04    0.986388E+00
  26    0.490941E-05    0.346634E+03 -0.141631E-07 0.438916E-04    0.985096E+00
  27    0.348945E-05    0.325257E+03 -0.107283E-07 0.438916E-04    0.986064E+00
  28    0.291471E-05    0.323745E+03 -0.900313E-08 0.438916E-04    0.987724E+00
  29   -0.206514E-05    0.319097E+03  0.647181E-08 0.438916E-04    0.977760E+00
  30   -0.225871E-05    0.315144E+03  0.716724E-08 0.438916E-04    0.988561E+00
  31   -0.287630E-06    0.305425E+03  0.941738E-09 0.496136E-04    0.955745E+00
  32    0.448074E-06    0.287265E+03 -0.155979E-08 0.438916E-04    0.998188E+00
  33    0.176507E-05    0.280159E+03 -0.630027E-08 0.438916E-04    0.985101E+00
  34    0.811402E-06    0.272115E+03 -0.298184E-08 0.496136E-04    0.989127E+00
  35    0.505333E-05    0.265935E+03 -0.190021E-07 0.438916E-04    0.984153E+00
  36    0.521947E-06    0.261677E+03 -0.199462E-08 0.438916E-04    0.982306E+00
  37   -0.204848E-05    0.257719E+03  0.794847E-08 0.438916E-04    0.983724E+00
  38   -0.138423E-05    0.253385E+03  0.546293E-08 0.438916E-04    0.985900E+00
  39   -0.353587E-05    0.245239E+03  0.144180E-07 0.438916E-04    0.983538E+00
  40    0.528094E-06    0.240248E+03 -0.219812E-08 0.438916E-04    0.955987E+00
  41    0.102155E-05    0.233567E+03 -0.437368E-08 0.438916E-04    0.970900E+00
  42   -0.546876E-06    0.228288E+03  0.239555E-08 0.438916E-04    0.972746E+00
  43    0.632111E-06    0.226081E+03 -0.279595E-08 0.438916E-04    0.981952E+00
  44    0.307434E-06    0.213342E+03 -0.144103E-08 0.438916E-04    0.970578E+00
  45   -0.155637E-05    0.211335E+03  0.736449E-08 0.438916E-04    0.976736E+00
  46   -0.108427E-05    0.209953E+03  0.516435E-08 0.438916E-04    0.980753E+00
  47   -0.470178E-05    0.202792E+03  0.231853E-07 0.438916E-04    0.981727E+00
  48   -0.105962E-05    0.198966E+03  0.532563E-08 0.438916E-04    0.990903E+00
  49    0.219520E-05    0.195123E+03 -0.112504E-07 0.496136E-04    0.979873E+00
  50   -0.220521E-05    0.191776E+03  0.114989E-07 0.438916E-04    0.984026E+00
  51   -0.197727E-05    0.186557E+03  0.105988E-07 0.438916E-04    0.982567E+00
  52    0.357536E-06    0.179299E+03 -0.199408E-08 0.438916E-04    0.988595E+00
  53   -0.230054E-05    0.170725E+03  0.134751E-07 0.438916E-04    0.983024E+00
  54   -0.410092E-06    0.168105E+03  0.243949E-08 0.438916E-04    0.965500E+00
  55   -0.425669E-05    0.165851E+03  0.256657E-07 0.438916E-04    0.983211E+00
  56    0.162656E-05    0.160765E+03 -0.101176E-07 0.438916E-04    0.984730E+00
  57   -0.778092E-06    0.154235E+03  0.504485E-08 0.438916E-04    0.985267E+00
  58    0.346966E-05    0.151092E+03 -0.229639E-07 0.438916E-04    0.984543E+00
  59    0.189220E-05    0.148065E+03 -0.127795E-07 0.496136E-04    0.979260E+00
  60    0.308976E-05    0.142190E+03 -0.217298E-07 0.438916E-04    0.979854E+00
  61    0.247546E-05    0.136850E+03 -0.180889E-07 0.438916E-04    0.983033E+00
  62   -0.845311E-05    0.134411E+03  0.628899E-07 0.438916E-04    0.983615E+00
  63    0.524275E-05    0.131042E+03 -0.400081E-07 0.438916E-04    0.983586E+00
  64   -0.715569E-06    0.127733E+03  0.560206E-08 0.438916E-04    0.979365E+00
  65    0.122766E-05    0.125466E+03 -0.978478E-08 0.438916E-04    0.987158E+00
  66    0.534368E-05    0.123961E+03 -0.431079E-07 0.438916E-04    0.982487E+00
  67   -0.528236E-06    0.119455E+03  0.442207E-08 0.438916E-04    0.986999E+00
  68    0.131644E-05    0.118067E+03 -0.111499E-07 0.438916E-04    0.981190E+00
  69    0.900231E-06    0.116084E+03 -0.775497E-08 0.438916E-04    0.994248E+00
  70   -0.129352E-05    0.113101E+03  0.114369E-07 0.438916E-04    0.966381E+00
  71   -0.225892E-06    0.110636E+03  0.204175E-08 0.438916E-04    0.987390E+00
  72   -0.601296E-05    0.105866E+03  0.567978E-07 0.496136E-04    0.981382E+00
  73    0.108661E-05    0.102879E+03 -0.105620E-07 0.438916E-04    0.966152E+00
  74   -0.781426E-05    0.100819E+03  0.775075E-07 0.438916E-04    0.981648E+00
  75   -0.348226E-05    0.971818E+02  0.358324E-07 0.438916E-04    0.976710E+00
  76   -0.576173E-05    0.949823E+02  0.606611E-07 0.438916E-04    0.980405E+00
  77   -0.111673E-07    0.918150E+02  0.121628E-09 0.726272E-04    0.461869E+00
  78   -0.102170E-04    0.902350E+02  0.113227E-06 0.438916E-04    0.979442E+00
  79    0.134177E-04    0.873565E+02 -0.153597E-06 0.438916E-04    0.982177E+00
  80   -0.210970E-05    0.844209E+02  0.249902E-07 0.438916E-04    0.976985E+00
  81    0.302653E-05    0.809600E+02 -0.373830E-07 0.438916E-04    0.978720E+00
  82   -0.463838E-05    0.789714E+02  0.587349E-07 0.438916E-04    0.975537E+00
  83   -0.743146E-05    0.786946E+02  0.944341E-07 0.496136E-04    0.987287E+00
  84    0.349812E-05    0.732300E+02 -0.477690E-07 0.438916E-04    0.979133E+00
  85   -0.871469E-05    0.711003E+02  0.122569E-06 0.496136E-04    0.982586E+00
  86   -0.106567E-04    0.700254E+02  0.152184E-06 0.438916E-04    0.980217E+00
  87   -0.472797E-05    0.673898E+02  0.701585E-07 0.438916E-04    0.987061E+00
  88   -0.751260E-06    0.638978E+02  0.117572E-07 0.438916E-04    0.975560E+00
  89    0.928700E-05    0.624755E+02 -0.148650E-06 0.438916E-04    0.981265E+00
  90    0.390675E-05    0.596498E+02 -0.654948E-07 0.438916E-04    0.979441E+00
  91    0.128804E-05    0.583474E+02 -0.220753E-07 0.438916E-04    0.991732E+00
  92   -0.776833E-05    0.558699E+02  0.139043E-06 0.438916E-04    0.976326E+00
  93   -0.145611E-04    0.536941E+02  0.271186E-06 0.438916E-04    0.981592E+00
  94    0.467274E-05    0.524462E+02 -0.890957E-07 0.438916E-04    0.977784E+00
  95   -0.148504E-04    0.502523E+02  0.295517E-06 0.496136E-04    0.982664E+00
  96   -0.417323E-05    0.480715E+02  0.868130E-07 0.438916E-04    0.983186E+00
  97   -0.709234E-05    0.439788E+02  0.161267E-06 0.438916E-04    0.979587E+00
  98    0.581145E-05    0.395753E+02 -0.146845E-06 0.438916E-04    0.982029E+00
  99    0.608834E-05    0.380747E+02 -0.159905E-06 0.438916E-04    0.973954E+00
 100    0.142077E-04    0.359900E+02 -0.394769E-06 0.438916E-04    0.982565E+00
 101    0.343593E-04    0.343549E+02 -0.100013E-05 0.438916E-04    0.978649E+00
 102    0.162430E-04    0.302779E+02 -0.536464E-06 0.438916E-04    0.982926E+00
 103    0.116585E-04    0.290761E+02 -0.400967E-06 0.496136E-04    0.980006E+00
 104    0.177761E-04    0.286773E+02 -0.619867E-06 0.438916E-04    0.981889E+00
 105    0.316240E-05    0.238604E+02 -0.132537E-06 0.438916E-04    0.956679E+00
 106    0.350508E-05    0.218461E+02 -0.160444E-06 0.438916E-04    0.990687E+00
 107   -0.319597E-04    0.197710E+02  0.161649E-05 0.496136E-04    0.977886E+00
 108   -0.516622E-04    0.163008E+02  0.316931E-05 0.438916E-04    0.983527E+00
 109   -0.309966E-04    0.140446E+02  0.220702E-05 0.438916E-04    0.981973E+00
 110   -0.549645E-05    0.129803E+02  0.423444E-06 0.438916E-04    0.961468E+00
 111   -0.358641E-04    0.120233E+02  0.298288E-05 0.438916E-04    0.975188E+00
 112    0.228600E-04    0.926754E+01 -0.246667E-05 0.438916E-04    0.986021E+00
 113   -0.749184E-04    0.748772E+01  0.100055E-04 0.438916E-04    0.980916E+00
 114   -0.857422E-01    0.465827E+01 -0.400000E-03 0.400000E-03    0.448683E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1840022840E-01

 Beginning of optimization cycle   25.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4022684657
 potential> RMS force:                                               0.0082050709   |gradient|=.8760618376E-01
 Eigenvalues of the Hessian matrix:
   715.07895    669.12808    621.39112    601.73731    589.33613    562.31938 
   558.76611    477.07174    471.94324    464.32162    441.81470    432.55918 
   419.79787    404.90049    398.63075    387.95501    366.95350    364.75758 
   353.50576    346.59375    325.22291    323.74905    319.09462    315.16577 
   305.42492    287.26465    280.15663    272.10652    265.93196    261.68113 
   257.71648    253.38384    245.22299    240.23821    233.57426    228.29044 
   226.06289    213.33145    211.32821    209.95772    202.79252    198.96088 
   195.12511    191.77321    186.55781    179.28423    170.72247    168.10698 
   165.84986    160.76386    154.22703    151.09083    148.07191    142.19572 
   136.85070    134.41437    131.04245    127.73273    125.46936    123.96953 
   119.45345    118.06513    116.08844    113.09599    110.63215    105.86197 
   102.87743    100.81563     97.18341     94.98294     91.80801     90.23902 
    87.36618     84.42092     80.95818     78.97131     78.69665     73.22763 
    71.10347     70.01734     67.39368     63.89131     62.47438     59.65026 
    58.35020     55.86889     53.69453     52.44401     50.25328     48.07068 
    43.97476     39.57872     38.06730     35.99336     34.35839     30.26786 
    29.07485     28.67781     23.85463     21.84652     19.76606     16.30650 
    14.04150     12.97511     12.01917      9.26953      7.48967      4.66169 
overlap for current and previous eigenvector    109 is         0.9999914011
overlap for current and previous eigenvector    110 is        -0.9999921627
overlap for current and previous eigenvector    111 is        -0.9999928663
overlap for current and previous eigenvector    112 is        -0.9999996416
overlap for current and previous eigenvector    113 is         0.9999992569
overlap for current and previous eigenvector    114 is        -0.9999989884
J1,K1,R1,R2,RAT=   7   7   -0.2036673772E-02     2.001873596        0.9979633262    
FOB,PFOB,DIAG,PSTEP=    0.3272745989E-06    0.3266093480E-06     715.0789546       -0.4567830998E-09
J1,K1,R1,R2,RAT=   8   8    0.1562393786         1.843695949        0.8436959492    
FOB,PFOB,DIAG,PSTEP=    0.4484544543E-07    0.5314980674E-07     669.1280751       -0.7943400887E-10
J1,K1,R1,R2,RAT=   9   9   -0.2021422697E-01     2.020114814        0.9797857730    
FOB,PFOB,DIAG,PSTEP=    0.3044636718E-06    0.2984308236E-06     621.3911160       -0.4802863295E-09
J1,K1,R1,R2,RAT=  10  10   -0.7856138387E-02     2.007764957        0.9921438616    
FOB,PFOB,DIAG,PSTEP=    0.9080119670E-06    0.9009337838E-06     601.7373074       -0.1497289347E-08
J1,K1,R1,R2,RAT=  11  11   -0.4691750734E-02     2.004662562        0.9953082493    
FOB,PFOB,DIAG,PSTEP=   -0.7627962206E-06   -0.7592340318E-06     589.3361293        0.1288305731E-08
J1,K1,R1,R2,RAT= 109 109   -0.1757452120E-01     2.018010219        0.9824254788    
FOB,PFOB,DIAG,PSTEP=   -0.3154125189E-04   -0.3099661978E-04     14.04150202        0.2207019494E-05
J1,K1,R1,R2,RAT= 110 110     2.039063538       -0.3825845600E-01    0.9617415440    
FOB,PFOB,DIAG,PSTEP=    0.5706649123E-05   -0.5496448119E-05     12.97511443        0.4234441626E-06
J1,K1,R1,R2,RAT= 111 111     2.025004493       -0.2431133274E-01    0.9756886673    
FOB,PFOB,DIAG,PSTEP=    0.3673574454E-04   -0.3586414154E-04     12.01917378        0.2982876919E-05
J1,K1,R1,R2,RAT= 112 112     2.013020579       -0.1344890321E-01    0.9865510968    
FOB,PFOB,DIAG,PSTEP=   -0.2316749922E-04    0.2285999155E-04     9.269528131       -0.2466672307E-05
J1,K1,R1,R2,RAT= 113 113   -0.1862051883E-01     2.018099115        0.9813794812    
FOB,PFOB,DIAG,PSTEP=   -0.7631381628E-04   -0.7491843241E-04     7.489672124        0.1000550727E-04
J1,K1,R1,R2,RAT= 114 114    -92.96435140        0.9995546973        0.4453026882E-03
FOB,PFOB,DIAG,PSTEP=    0.8760608816E-01   -0.8574224319E-01     4.661688291       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000      0.00001 
    -0.00001     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00001      0.00001     -0.00000     -0.00000      0.00001     -0.00000 
     0.00000     -0.00001     -0.00001      0.00000      0.00002      0.00000 
    -0.00001      0.00001      0.00001      0.00001      0.00004      0.00002 
     0.00001     -0.00002     -0.00000      0.00000     -0.00003      0.00005 
    -0.00003      0.00001      0.00004     -0.00002     -0.00008      0.08761 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4319298885
 Log product of positive Hessian eigenvalues =          520.5173877038
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6616882907
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000001
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000015
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000031
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000078
 Unscaled step for mode   15=       -0.0000000026
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=       -0.0000000006
 Unscaled step for mode   18=       -0.0000000041
 Unscaled step for mode   19=       -0.0000000073
 Unscaled step for mode   20=       -0.0000000122
 Unscaled step for mode   21=       -0.0000000050
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000037
 Unscaled step for mode   25=        0.0000000103
 Unscaled step for mode   26=       -0.0000000144
 Unscaled step for mode   27=       -0.0000000109
 Unscaled step for mode   28=       -0.0000000091
 Unscaled step for mode   29=        0.0000000066
 Unscaled step for mode   30=        0.0000000072
 Unscaled step for mode   31=        0.0000000010
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000064
 Unscaled step for mode   34=       -0.0000000030
 Unscaled step for mode   35=       -0.0000000193
 Unscaled step for mode   36=       -0.0000000020
 Unscaled step for mode   37=        0.0000000081
 Unscaled step for mode   38=        0.0000000055
 Unscaled step for mode   39=        0.0000000147
 Unscaled step for mode   40=       -0.0000000023
 Unscaled step for mode   41=       -0.0000000045
 Unscaled step for mode   42=        0.0000000025
 Unscaled step for mode   43=       -0.0000000028
 Unscaled step for mode   44=       -0.0000000014
 Unscaled step for mode   45=        0.0000000075
 Unscaled step for mode   46=        0.0000000053
 Unscaled step for mode   47=        0.0000000236
 Unscaled step for mode   48=        0.0000000054
 Unscaled step for mode   49=       -0.0000000115
 Unscaled step for mode   50=        0.0000000117
 Unscaled step for mode   51=        0.0000000108
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000137
 Unscaled step for mode   54=        0.0000000025
 Unscaled step for mode   55=       -0.0000000261
 Unscaled step for mode   56=        0.0000000103
 Unscaled step for mode   57=        0.0000000051
 Unscaled step for mode   58=        0.0000000233
 Unscaled step for mode   59=        0.0000000130
 Unscaled step for mode   60=       -0.0000000222
 Unscaled step for mode   61=        0.0000000184
 Unscaled step for mode   62=        0.0000000639
 Unscaled step for mode   63=       -0.0000000407
 Unscaled step for mode   64=       -0.0000000057
 Unscaled step for mode   65=        0.0000000099
 Unscaled step for mode   66=        0.0000000438
 Unscaled step for mode   67=       -0.0000000045
 Unscaled step for mode   68=        0.0000000114
 Unscaled step for mode   69=       -0.0000000078
 Unscaled step for mode   70=       -0.0000000118
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=       -0.0000000578
 Unscaled step for mode   73=        0.0000000109
 Unscaled step for mode   74=        0.0000000789
 Unscaled step for mode   75=        0.0000000367
 Unscaled step for mode   76=       -0.0000000618
 Unscaled step for mode   77=        0.0000000002
 Unscaled step for mode   78=       -0.0000001155
 Unscaled step for mode   79=        0.0000001563
 Unscaled step for mode   80=        0.0000000256
 Unscaled step for mode   81=        0.0000000382
 Unscaled step for mode   82=        0.0000000602
 Unscaled step for mode   83=       -0.0000000956
 Unscaled step for mode   84=       -0.0000000488
 Unscaled step for mode   85=        0.0000001247
 Unscaled step for mode   86=       -0.0000001552
 Unscaled step for mode   87=        0.0000000710
 Unscaled step for mode   88=        0.0000000120
 Unscaled step for mode   89=       -0.0000001514
 Unscaled step for mode   90=        0.0000000668
 Unscaled step for mode   91=       -0.0000000222
 Unscaled step for mode   92=        0.0000001423
 Unscaled step for mode   93=        0.0000002761
 Unscaled step for mode   94=       -0.0000000910
 Unscaled step for mode   95=       -0.0000003005
 Unscaled step for mode   96=       -0.0000000882
 Unscaled step for mode   97=        0.0000001645
 Unscaled step for mode   98=       -0.0000001494
 Unscaled step for mode   99=       -0.0000001640
 Unscaled step for mode  100=       -0.0000004015
 Unscaled step for mode  101=       -0.0000010209
 Unscaled step for mode  102=       -0.0000005456
 Unscaled step for mode  103=       -0.0000004088
 Unscaled step for mode  104=        0.0000006308
 Unscaled step for mode  105=        0.0000001382
 Unscaled step for mode  106=       -0.0000001618
 Unscaled step for mode  107=        0.0000016519
 Unscaled step for mode  108=       -0.0000032189
 Unscaled step for mode  109=        0.0000022463
 Unscaled step for mode  110=       -0.0000004398
 Unscaled step for mode  111=       -0.0000030564
 Unscaled step for mode  112=        0.0000024993
 Unscaled step for mode  113=        0.0000101892
 Unscaled step for mode  114=        0.0187861489
 Largest modulus ratio of non-zero e/values=           153.3948454    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.706466E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.410587E-15    0.100784E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.197307E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.491045E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.370797E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.485140E-15    0.973423E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.327275E-06    0.715079E+03 -0.457676E-09 0.395419E-04    0.997963E+00
   8    0.448454E-07    0.669128E+03 -0.670207E-10 0.395419E-04    0.843696E+00
   9    0.304464E-06    0.621391E+03 -0.489971E-09 0.395419E-04    0.979786E+00
  10    0.908012E-06    0.601737E+03 -0.150898E-08 0.395419E-04    0.992144E+00
  11   -0.762796E-06    0.589336E+03  0.129433E-08 0.395419E-04    0.995308E+00
  12    0.176598E-05    0.562319E+03 -0.314053E-08 0.395419E-04    0.991506E+00
  13    0.192472E-05    0.558766E+03 -0.344458E-08 0.395419E-04    0.996103E+00
  14   -0.370426E-05    0.477072E+03  0.776457E-08 0.446969E-04    0.991509E+00
  15    0.123383E-05    0.471943E+03 -0.261436E-08 0.395419E-04    0.993151E+00
  16    0.370741E-06    0.464322E+03 -0.798457E-09 0.395419E-04    0.982384E+00
  17    0.266316E-06    0.441815E+03 -0.602776E-09 0.446969E-04    0.975610E+00
  18    0.178788E-05    0.432559E+03 -0.413325E-08 0.395419E-04    0.989462E+00
  19    0.307670E-05    0.419798E+03 -0.732899E-08 0.395419E-04    0.987246E+00
  20    0.492709E-05    0.404900E+03 -0.121686E-07 0.395419E-04    0.990717E+00
  21    0.201255E-05    0.398631E+03 -0.504865E-08 0.395419E-04    0.985013E+00
  22   -0.957227E-06    0.387955E+03  0.246737E-08 0.395419E-04    0.999330E+00
  23   -0.172204E-05    0.366954E+03  0.469281E-08 0.395419E-04    0.994229E+00
  24    0.134895E-05    0.364758E+03 -0.369821E-08 0.395419E-04    0.991125E+00
  25   -0.364674E-05    0.353506E+03  0.103159E-07 0.395419E-04    0.986534E+00
  26    0.498184E-05    0.346594E+03 -0.143737E-07 0.395419E-04    0.985245E+00
  27    0.353743E-05    0.325223E+03 -0.108769E-07 0.395419E-04    0.986247E+00
  28    0.294994E-05    0.323749E+03 -0.911182E-08 0.395419E-04    0.987913E+00
  29   -0.211062E-05    0.319095E+03  0.661441E-08 0.395419E-04    0.977974E+00
  30   -0.228430E-05    0.315166E+03  0.724794E-08 0.395419E-04    0.988671E+00
  31   -0.300038E-06    0.305425E+03  0.982361E-09 0.446969E-04    0.956863E+00
  32    0.447087E-06    0.287265E+03 -0.155636E-08 0.395419E-04    0.997798E+00
  33    0.179104E-05    0.280157E+03 -0.639301E-08 0.395419E-04    0.985287E+00
  34    0.820143E-06    0.272107E+03 -0.301405E-08 0.446969E-04    0.989227E+00
  35    0.513240E-05    0.265932E+03 -0.192997E-07 0.395419E-04    0.984352E+00
  36    0.531161E-06    0.261681E+03 -0.202980E-08 0.395419E-04    0.982347E+00
  37   -0.208143E-05    0.257716E+03  0.807642E-08 0.395419E-04    0.983914E+00
  38   -0.140347E-05    0.253384E+03  0.553889E-08 0.395419E-04    0.986100E+00
  39   -0.359336E-05    0.245223E+03  0.146534E-07 0.395419E-04    0.983738E+00
  40    0.550841E-06    0.240238E+03 -0.229290E-08 0.395419E-04    0.956923E+00
  41    0.105088E-05    0.233574E+03 -0.449911E-08 0.395419E-04    0.971291E+00
  42   -0.561574E-06    0.228290E+03  0.245991E-08 0.395419E-04    0.973124E+00
  43    0.643406E-06    0.226063E+03 -0.284614E-08 0.395419E-04    0.982129E+00
  44    0.297586E-06    0.213331E+03 -0.139495E-08 0.395419E-04    0.967968E+00
  45   -0.159192E-05    0.211328E+03  0.753294E-08 0.395419E-04    0.977158E+00
  46   -0.110526E-05    0.209958E+03  0.526419E-08 0.395419E-04    0.980646E+00
  47   -0.478659E-05    0.202793E+03  0.236034E-07 0.395419E-04    0.981964E+00
  48   -0.106892E-05    0.198961E+03  0.537249E-08 0.395419E-04    0.991227E+00
  49    0.223885E-05    0.195125E+03 -0.114739E-07 0.446969E-04    0.980114E+00
  50   -0.223991E-05    0.191773E+03  0.116800E-07 0.395419E-04    0.984267E+00
  51   -0.201124E-05    0.186558E+03  0.107808E-07 0.395419E-04    0.982820E+00
  52    0.361505E-06    0.179284E+03 -0.201638E-08 0.395419E-04    0.988898E+00
  53   -0.233897E-05    0.170722E+03  0.137004E-07 0.395419E-04    0.983295E+00
  54   -0.424055E-06    0.168107E+03  0.252253E-08 0.395419E-04    0.965952E+00
  55    0.432706E-05    0.165850E+03 -0.260902E-07 0.395419E-04    0.983467E+00
  56   -0.165100E-05    0.160764E+03  0.102697E-07 0.395419E-04    0.984975E+00
  57   -0.789357E-06    0.154227E+03  0.511815E-08 0.395419E-04    0.985522E+00
  58   -0.352242E-05    0.151091E+03  0.233132E-07 0.395419E-04    0.984793E+00
  59   -0.193083E-05    0.148072E+03  0.130398E-07 0.446969E-04    0.979584E+00
  60    0.315102E-05    0.142196E+03 -0.221597E-07 0.395419E-04    0.980174E+00
  61   -0.251682E-05    0.136851E+03  0.183910E-07 0.395419E-04    0.983291E+00
  62   -0.858923E-05    0.134414E+03  0.639012E-07 0.395419E-04    0.983896E+00
  63    0.532737E-05    0.131042E+03 -0.406537E-07 0.395419E-04    0.983861E+00
  64    0.730169E-06    0.127733E+03 -0.571638E-08 0.395419E-04    0.979596E+00
  65   -0.124296E-05    0.125469E+03  0.990646E-08 0.395419E-04    0.987540E+00
  66   -0.543575E-05    0.123970E+03  0.438474E-07 0.395419E-04    0.982772E+00
  67    0.534983E-06    0.119453E+03 -0.447859E-08 0.395419E-04    0.987229E+00
  68   -0.134082E-05    0.118065E+03  0.113566E-07 0.395419E-04    0.981481E+00
  69    0.905043E-06    0.116088E+03 -0.779615E-08 0.395419E-04    0.994655E+00
  70    0.133620E-05    0.113096E+03 -0.118147E-07 0.395419E-04    0.967006E+00
  71   -0.228628E-06    0.110632E+03  0.206656E-08 0.395419E-04    0.987886E+00
  72    0.612311E-05    0.105862E+03 -0.578405E-07 0.446969E-04    0.981681E+00
  73   -0.112283E-05    0.102877E+03  0.109143E-07 0.395419E-04    0.966663E+00
  74   -0.795515E-05    0.100816E+03  0.789079E-07 0.395419E-04    0.981969E+00
  75   -0.356222E-05    0.971834E+02  0.366546E-07 0.395419E-04    0.977039E+00
  76    0.587280E-05    0.949829E+02 -0.618300E-07 0.395419E-04    0.980724E+00
  77   -0.151746E-07    0.918080E+02  0.165287E-09 0.654299E-04    0.641126E+00
  78    0.104237E-04    0.902390E+02 -0.115512E-06 0.395419E-04    0.979776E+00
  79   -0.136521E-04    0.873662E+02  0.156263E-06 0.395419E-04    0.982532E+00
  80   -0.215755E-05    0.844209E+02  0.255570E-07 0.395419E-04    0.977319E+00
  81   -0.308982E-05    0.809582E+02  0.381656E-07 0.395419E-04    0.979086E+00
  82   -0.475097E-05    0.789713E+02  0.601607E-07 0.395419E-04    0.975726E+00
  83    0.752222E-05    0.786967E+02 -0.955850E-07 0.446969E-04    0.987787E+00
  84    0.356990E-05    0.732276E+02 -0.487508E-07 0.395419E-04    0.979480E+00
  85   -0.886363E-05    0.711035E+02  0.124658E-06 0.446969E-04    0.982910E+00
  86    0.108634E-04    0.700173E+02 -0.155153E-06 0.395419E-04    0.980604E+00
  87   -0.478722E-05    0.673937E+02  0.710337E-07 0.395419E-04    0.987468E+00
  88   -0.768933E-06    0.638913E+02  0.120350E-07 0.395419E-04    0.976473E+00
  89    0.945769E-05    0.624744E+02 -0.151385E-06 0.395419E-04    0.981620E+00
  90   -0.398559E-05    0.596503E+02  0.668160E-07 0.395419E-04    0.979820E+00
  91    0.129813E-05    0.583502E+02 -0.222472E-07 0.395419E-04    0.992165E+00
  92   -0.794922E-05    0.558689E+02  0.142283E-06 0.395419E-04    0.976715E+00
  93   -0.148234E-04    0.536945E+02  0.276069E-06 0.395419E-04    0.981988E+00
  94    0.477478E-05    0.524440E+02 -0.910453E-07 0.395419E-04    0.978160E+00
  95    0.151020E-04    0.502533E+02 -0.300518E-06 0.446969E-04    0.983060E+00
  96    0.424180E-05    0.480707E+02 -0.882408E-07 0.395419E-04    0.983570E+00
  97   -0.723422E-05    0.439748E+02  0.164508E-06 0.395419E-04    0.979994E+00
  98    0.591369E-05    0.395787E+02 -0.149416E-06 0.395419E-04    0.982408E+00
  99    0.624429E-05    0.380673E+02 -0.164033E-06 0.395419E-04    0.974381E+00
 100    0.144500E-04    0.359934E+02 -0.401464E-06 0.395419E-04    0.982948E+00
 101    0.350776E-04    0.343584E+02 -0.102093E-05 0.395419E-04    0.979098E+00
 102    0.165136E-04    0.302679E+02 -0.545584E-06 0.395419E-04    0.983334E+00
 103    0.118867E-04    0.290749E+02 -0.408832E-06 0.446969E-04    0.980427E+00
 104   -0.180904E-04    0.286778E+02  0.630814E-06 0.395419E-04    0.982323E+00
 105   -0.329588E-05    0.238546E+02  0.138165E-06 0.395419E-04    0.957780E+00
 106    0.353560E-05    0.218465E+02 -0.161838E-06 0.395419E-04    0.991292E+00
 107   -0.326518E-04    0.197661E+02  0.165191E-05 0.446969E-04    0.978338E+00
 108    0.524892E-04    0.163065E+02 -0.321891E-05 0.395419E-04    0.983998E+00
 109   -0.315413E-04    0.140415E+02  0.224629E-05 0.395419E-04    0.982425E+00
 110    0.570665E-05    0.129751E+02 -0.439815E-06 0.395419E-04    0.961742E+00
 111    0.367357E-04    0.120192E+02 -0.305643E-05 0.395419E-04    0.975689E+00
 112   -0.231675E-04    0.926953E+01  0.249932E-05 0.395419E-04    0.986551E+00
 113   -0.763138E-04    0.748967E+01  0.101892E-04 0.395419E-04    0.981379E+00
 114    0.876061E-01    0.466169E+01  0.400000E-03 0.400000E-03    0.445303E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1878614888E-01

 Beginning of optimization cycle   26.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4022330509
 potential> RMS force:                                               0.0083797632   |gradient|=.8947138743E-01
 Eigenvalues of the Hessian matrix:
   715.13727    669.14966    621.42187    601.76460    589.34460    562.34462 
   558.80283    477.08389    471.92196    464.30824    441.80967    432.54726 
   419.80487    404.91042    398.62755    387.96172    366.95225    364.74670 
   353.49366    346.55346    325.18868    323.75348    319.09208    315.18767 
   305.42492    287.26462    280.15466    272.09812    265.92855    261.68509 
   257.71365    253.38262    245.20656    240.22840    233.58138    228.29299 
   226.04502    213.32059    211.32150    209.96216    202.79339    198.95555 
   195.12753    191.77051    186.55888    179.26960    170.72040    168.10858 
   165.84844    160.76260    154.21921    151.09018    148.07840    142.20125 
   136.85167    134.41758    131.04240    127.73226    125.47251    123.97847 
   119.45240    118.06287    116.09250    113.09122    110.62805    105.85797 
   102.87597    100.81182     97.18500     94.98361     91.80100     90.24308 
    87.37585     84.42099     80.95635     78.97124     78.69865     73.22521 
    71.10664     70.00928     67.39756     63.88488     62.47318     59.65074 
    58.35300     55.86784     53.69490     52.44178     50.25428     48.06985 
    43.97071     39.58214     38.05992     35.99673     34.36194     30.25781 
    29.07361     28.67830     23.84884     21.84692     19.76119     16.31219 
    14.03846     12.96988     12.01496      9.27151      7.49160      4.66507 
overlap for current and previous eigenvector    109 is         0.9999914372
overlap for current and previous eigenvector    110 is         0.9999920889
overlap for current and previous eigenvector    111 is         0.9999927193
overlap for current and previous eigenvector    112 is         0.9999996423
overlap for current and previous eigenvector    113 is         0.9999992595
overlap for current and previous eigenvector    114 is         0.9999989930
J1,K1,R1,R2,RAT=   7   7   -0.1806586969E-02     2.001643497        0.9981934130    
FOB,PFOB,DIAG,PSTEP=    0.3278658971E-06    0.3272745989E-06     715.1372705       -0.4576761724E-09
J1,K1,R1,R2,RAT=   8   8    0.1874740173         1.812461478        0.8124614780    
FOB,PFOB,DIAG,PSTEP=    0.3643781845E-07    0.4484544543E-07     669.1496567       -0.6702072010E-10
J1,K1,R1,R2,RAT=   9   9   -0.1982452821E-01     2.019725546        0.9801754718    
FOB,PFOB,DIAG,PSTEP=    0.3104998192E-06    0.3044636718E-06     621.4218709       -0.4899710730E-09
J1,K1,R1,R2,RAT=  10  10   -0.7742286636E-02     2.007651592        0.9922577134    
FOB,PFOB,DIAG,PSTEP=    0.9150423747E-06    0.9080119670E-06     601.7645960       -0.1508983996E-08
J1,K1,R1,R2,RAT=  11  11   -0.4612231771E-02     2.004583499        0.9953877682    
FOB,PFOB,DIAG,PSTEP=   -0.7663144641E-06   -0.7627962206E-06     589.3445960        0.1294331338E-08
J1,K1,R1,R2,RAT= 109 109   -0.1714082372E-01     2.017574667        0.9828591763    
FOB,PFOB,DIAG,PSTEP=   -0.3208177767E-04   -0.3154125189E-04     14.03845678        0.2246287601E-05
J1,K1,R1,R2,RAT= 110 110   -0.3799061572E-01     2.038798279        0.9620093843    
FOB,PFOB,DIAG,PSTEP=    0.5923360722E-05    0.5706649123E-05     12.96987678       -0.4398149361E-06
J1,K1,R1,R2,RAT= 111 111   -0.2382930134E-01     2.024531030        0.9761706987    
FOB,PFOB,DIAG,PSTEP=    0.3761082463E-04    0.3673574454E-04     12.01495816       -0.3056428437E-05
J1,K1,R1,R2,RAT= 112 112   -0.1293726607E-01     2.012508810        0.9870627339    
FOB,PFOB,DIAG,PSTEP=   -0.2346728755E-04   -0.2316749922E-04     9.271514348        0.2499318077E-05
J1,K1,R1,R2,RAT= 113 113   -0.1817538015E-01     2.017659887        0.9818246199    
FOB,PFOB,DIAG,PSTEP=   -0.7770120649E-04   -0.7631381628E-04     7.491603060        0.1018920655E-04
J1,K1,R1,R2,RAT= 114 114    0.9995580764        -94.89540716        0.4419236088E-03
FOB,PFOB,DIAG,PSTEP=    0.8947129037E-01    0.8760608816E-01     4.665067147        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
     0.00000      0.00001     -0.00000      0.00001     -0.00000      0.00001 
    -0.00001     -0.00000      0.00000     -0.00000     -0.00001      0.00000 
    -0.00001      0.00001     -0.00000     -0.00000      0.00001     -0.00000 
     0.00000     -0.00001     -0.00002      0.00000      0.00002      0.00000 
    -0.00001      0.00001      0.00001      0.00001      0.00004      0.00002 
     0.00001     -0.00002     -0.00000      0.00000     -0.00003      0.00005 
    -0.00003      0.00001      0.00004     -0.00002     -0.00008      0.08947 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4320253912
 Log product of positive Hessian eigenvalues =          520.5167691228
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6650671468
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000001
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000015
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000032
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000078
 Unscaled step for mode   15=       -0.0000000026
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=       -0.0000000006
 Unscaled step for mode   18=       -0.0000000042
 Unscaled step for mode   19=       -0.0000000074
 Unscaled step for mode   20=       -0.0000000123
 Unscaled step for mode   21=       -0.0000000051
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000037
 Unscaled step for mode   25=        0.0000000105
 Unscaled step for mode   26=       -0.0000000146
 Unscaled step for mode   27=       -0.0000000110
 Unscaled step for mode   28=       -0.0000000092
 Unscaled step for mode   29=        0.0000000068
 Unscaled step for mode   30=        0.0000000073
 Unscaled step for mode   31=        0.0000000010
 Unscaled step for mode   32=       -0.0000000016
 Unscaled step for mode   33=       -0.0000000065
 Unscaled step for mode   34=       -0.0000000030
 Unscaled step for mode   35=       -0.0000000196
 Unscaled step for mode   36=       -0.0000000021
 Unscaled step for mode   37=        0.0000000082
 Unscaled step for mode   38=        0.0000000056
 Unscaled step for mode   39=        0.0000000149
 Unscaled step for mode   40=       -0.0000000024
 Unscaled step for mode   41=       -0.0000000046
 Unscaled step for mode   42=        0.0000000025
 Unscaled step for mode   43=       -0.0000000029
 Unscaled step for mode   44=       -0.0000000013
 Unscaled step for mode   45=        0.0000000077
 Unscaled step for mode   46=        0.0000000054
 Unscaled step for mode   47=        0.0000000240
 Unscaled step for mode   48=        0.0000000054
 Unscaled step for mode   49=       -0.0000000117
 Unscaled step for mode   50=        0.0000000119
 Unscaled step for mode   51=        0.0000000110
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000139
 Unscaled step for mode   54=        0.0000000026
 Unscaled step for mode   55=       -0.0000000265
 Unscaled step for mode   56=        0.0000000104
 Unscaled step for mode   57=        0.0000000052
 Unscaled step for mode   58=        0.0000000237
 Unscaled step for mode   59=        0.0000000133
 Unscaled step for mode   60=       -0.0000000226
 Unscaled step for mode   61=        0.0000000187
 Unscaled step for mode   62=        0.0000000649
 Unscaled step for mode   63=       -0.0000000413
 Unscaled step for mode   64=       -0.0000000058
 Unscaled step for mode   65=        0.0000000100
 Unscaled step for mode   66=        0.0000000446
 Unscaled step for mode   67=       -0.0000000045
 Unscaled step for mode   68=        0.0000000116
 Unscaled step for mode   69=       -0.0000000078
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=       -0.0000000589
 Unscaled step for mode   73=       -0.0000000113
 Unscaled step for mode   74=       -0.0000000803
 Unscaled step for mode   75=        0.0000000375
 Unscaled step for mode   76=       -0.0000000630
 Unscaled step for mode   77=        0.0000000002
 Unscaled step for mode   78=       -0.0000001178
 Unscaled step for mode   79=        0.0000001589
 Unscaled step for mode   80=        0.0000000261
 Unscaled step for mode   81=       -0.0000000390
 Unscaled step for mode   82=        0.0000000616
 Unscaled step for mode   83=        0.0000000967
 Unscaled step for mode   84=       -0.0000000497
 Unscaled step for mode   85=        0.0000001267
 Unscaled step for mode   86=       -0.0000001581
 Unscaled step for mode   87=        0.0000000719
 Unscaled step for mode   88=        0.0000000123
 Unscaled step for mode   89=       -0.0000001541
 Unscaled step for mode   90=        0.0000000681
 Unscaled step for mode   91=       -0.0000000224
 Unscaled step for mode   92=        0.0000001455
 Unscaled step for mode   93=        0.0000002809
 Unscaled step for mode   94=       -0.0000000930
 Unscaled step for mode   95=       -0.0000003055
 Unscaled step for mode   96=       -0.0000000897
 Unscaled step for mode   97=        0.0000001678
 Unscaled step for mode   98=       -0.0000001520
 Unscaled step for mode   99=       -0.0000001682
 Unscaled step for mode  100=       -0.0000004081
 Unscaled step for mode  101=       -0.0000010417
 Unscaled step for mode  102=       -0.0000005546
 Unscaled step for mode  103=       -0.0000004167
 Unscaled step for mode  104=        0.0000006417
 Unscaled step for mode  105=        0.0000001439
 Unscaled step for mode  106=       -0.0000001631
 Unscaled step for mode  107=        0.0000016874
 Unscaled step for mode  108=       -0.0000032678
 Unscaled step for mode  109=        0.0000022853
 Unscaled step for mode  110=       -0.0000004567
 Unscaled step for mode  111=       -0.0000031303
 Unscaled step for mode  112=        0.0000025311
 Unscaled step for mode  113=        0.0000103718
 Unscaled step for mode  114=        0.0191719436
 Largest modulus ratio of non-zero e/values=           153.2962438    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.464039E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.102620E-15    0.100783E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.696268E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.320707E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.290220E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.543368E-15    0.973424E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.327866E-06    0.715137E+03 -0.458466E-09 0.356234E-04    0.998193E+00
   8    0.364378E-07    0.669150E+03 -0.544539E-10 0.356234E-04    0.812461E+00
   9    0.310500E-06    0.621422E+03 -0.499660E-09 0.356234E-04    0.980175E+00
  10    0.915042E-06    0.601765E+03 -0.152060E-08 0.356234E-04    0.992258E+00
  11   -0.766314E-06    0.589345E+03  0.130028E-08 0.356234E-04    0.995388E+00
  12    0.178083E-05    0.562345E+03 -0.316679E-08 0.356234E-04    0.991594E+00
  13    0.193198E-05    0.558803E+03 -0.345736E-08 0.356234E-04    0.996225E+00
  14   -0.373526E-05    0.477084E+03  0.782935E-08 0.402675E-04    0.991632E+00
  15    0.124217E-05    0.471922E+03 -0.263216E-08 0.356234E-04    0.993237E+00
  16    0.377247E-06    0.464308E+03 -0.812493E-09 0.356234E-04    0.982450E+00
  17    0.272738E-06    0.441810E+03 -0.617321E-09 0.402675E-04    0.975882E+00
  18    0.180650E-05    0.432547E+03 -0.417643E-08 0.356234E-04    0.989581E+00
  19    0.311554E-05    0.419805E+03 -0.742141E-08 0.356234E-04    0.987374E+00
  20    0.497217E-05    0.404910E+03 -0.122797E-07 0.356234E-04    0.990851E+00
  21    0.204234E-05    0.398628E+03 -0.512342E-08 0.356234E-04    0.985198E+00
  22   -0.957641E-06    0.387962E+03  0.246839E-08 0.356234E-04    0.999567E+00
  23   -0.173173E-05    0.366952E+03  0.471923E-08 0.356234E-04    0.994374E+00
  24    0.136070E-05    0.364747E+03 -0.373054E-08 0.356234E-04    0.991285E+00
  25   -0.369532E-05    0.353494E+03  0.104537E-07 0.356234E-04    0.986678E+00
  26    0.505461E-05    0.346553E+03 -0.145854E-07 0.356234E-04    0.985391E+00
  27    0.358544E-05    0.325189E+03 -0.110257E-07 0.356234E-04    0.986426E+00
  28    0.298505E-05    0.323753E+03 -0.922012E-08 0.356234E-04    0.988101E+00
  29   -0.215667E-05    0.319092E+03  0.675877E-08 0.356234E-04    0.978183E+00
  30   -0.230994E-05    0.315188E+03  0.732878E-08 0.356234E-04    0.988777E+00
  31   -0.312663E-06    0.305425E+03  0.102370E-08 0.402675E-04    0.957921E+00
  32    0.445928E-06    0.287265E+03 -0.155232E-08 0.356234E-04    0.997406E+00
  33    0.181707E-05    0.280155E+03 -0.648595E-08 0.356234E-04    0.985469E+00
  34    0.828899E-06    0.272098E+03 -0.304632E-08 0.402675E-04    0.989324E+00
  35    0.521172E-05    0.265929E+03 -0.195982E-07 0.356234E-04    0.984545E+00
  36    0.540517E-06    0.261685E+03 -0.206552E-08 0.356234E-04    0.982386E+00
  37   -0.211452E-05    0.257714E+03  0.820493E-08 0.356234E-04    0.984099E+00
  38   -0.142270E-05    0.253383E+03  0.561483E-08 0.356234E-04    0.986295E+00
  39   -0.365109E-05    0.245207E+03  0.148899E-07 0.356234E-04    0.983934E+00
  40    0.574077E-06    0.240228E+03 -0.238971E-08 0.356234E-04    0.957817E+00
  41    0.108065E-05    0.233581E+03 -0.462643E-08 0.356234E-04    0.971670E+00
  42   -0.576461E-06    0.228293E+03  0.252509E-08 0.356234E-04    0.973491E+00
  43    0.654793E-06    0.226045E+03 -0.289674E-08 0.356234E-04    0.982301E+00
  44    0.287205E-06    0.213321E+03 -0.134636E-08 0.356234E-04    0.965115E+00
  45   -0.162762E-05    0.211322E+03  0.770211E-08 0.356234E-04    0.977574E+00
  46   -0.112677E-05    0.209962E+03  0.536655E-08 0.356234E-04    0.980533E+00
  47   -0.487182E-05    0.202793E+03  0.240235E-07 0.356234E-04    0.982194E+00
  48   -0.107795E-05    0.198956E+03  0.541806E-08 0.356234E-04    0.991546E+00
  49    0.228285E-05    0.195128E+03 -0.116993E-07 0.402675E-04    0.980350E+00
  50   -0.227462E-05    0.191771E+03  0.118612E-07 0.356234E-04    0.984503E+00
  51   -0.204530E-05    0.186559E+03  0.109633E-07 0.356234E-04    0.983067E+00
  52    0.365411E-06    0.179270E+03 -0.203833E-08 0.356234E-04    0.989196E+00
  53   -0.237742E-05    0.170720E+03  0.139258E-07 0.356234E-04    0.983559E+00
  54   -0.438306E-06    0.168109E+03  0.260728E-08 0.356234E-04    0.966393E+00
  55    0.439752E-05    0.165848E+03 -0.265153E-07 0.356234E-04    0.983717E+00
  56   -0.167541E-05    0.160763E+03  0.104217E-07 0.356234E-04    0.985212E+00
  57   -0.800590E-06    0.154219E+03  0.519124E-08 0.356234E-04    0.985769E+00
  58   -0.357513E-05    0.151090E+03  0.236622E-07 0.356234E-04    0.985035E+00
  59   -0.196965E-05    0.148078E+03  0.133014E-07 0.402675E-04    0.979900E+00
  60    0.321252E-05    0.142201E+03 -0.225913E-07 0.356234E-04    0.980485E+00
  61   -0.255825E-05    0.136852E+03  0.186936E-07 0.356234E-04    0.983541E+00
  62   -0.872522E-05    0.134418E+03  0.649113E-07 0.356234E-04    0.984169E+00
  63    0.541192E-05    0.131042E+03 -0.412990E-07 0.356234E-04    0.984128E+00
  64    0.744905E-06    0.127732E+03 -0.583177E-08 0.356234E-04    0.979819E+00
  65   -0.125798E-05    0.125473E+03  0.100259E-07 0.356234E-04    0.987913E+00
  66   -0.552790E-05    0.123978E+03  0.445876E-07 0.356234E-04    0.983048E+00
  67    0.541698E-06    0.119452E+03 -0.453484E-08 0.356234E-04    0.987448E+00
  68   -0.136527E-05    0.118063E+03  0.115639E-07 0.356234E-04    0.981762E+00
  69    0.909520E-06    0.116093E+03 -0.783444E-08 0.356234E-04    0.995053E+00
  70    0.137947E-05    0.113091E+03 -0.121979E-07 0.356234E-04    0.967610E+00
  71   -0.231286E-06    0.110628E+03  0.209066E-08 0.356234E-04    0.988375E+00
  72    0.623351E-05    0.105858E+03 -0.588856E-07 0.402675E-04    0.981969E+00
  73    0.115971E-05    0.102876E+03 -0.112729E-07 0.356234E-04    0.967159E+00
  74    0.809611E-05    0.100812E+03 -0.803091E-07 0.356234E-04    0.982280E+00
  75   -0.364287E-05    0.971850E+02  0.374839E-07 0.356234E-04    0.977357E+00
  76    0.598419E-05    0.949836E+02 -0.630024E-07 0.356234E-04    0.981031E+00
  77   -0.192818E-07    0.918010E+02  0.210039E-09 0.589459E-04    0.729320E+00
  78    0.106311E-04    0.902431E+02 -0.117806E-06 0.356234E-04    0.980098E+00
  79   -0.138859E-04    0.873758E+02  0.158921E-06 0.356234E-04    0.982876E+00
  80   -0.220579E-05    0.844210E+02  0.261284E-07 0.356234E-04    0.977642E+00
  81    0.315334E-05    0.809563E+02 -0.389512E-07 0.356234E-04    0.979441E+00
  82   -0.486542E-05    0.789712E+02  0.616101E-07 0.356234E-04    0.975909E+00
  83   -0.761038E-05    0.786986E+02  0.967028E-07 0.402675E-04    0.988280E+00
  84    0.364196E-05    0.732252E+02 -0.497364E-07 0.356234E-04    0.979815E+00
  85   -0.901236E-05    0.711066E+02  0.126744E-06 0.402675E-04    0.983222E+00
  86    0.110700E-04    0.700093E+02 -0.158122E-06 0.356234E-04    0.980979E+00
  87   -0.484533E-05    0.673976E+02  0.718918E-07 0.356234E-04    0.987863E+00
  88   -0.786336E-06    0.638849E+02  0.123086E-07 0.356234E-04    0.977365E+00
  89    0.962829E-05    0.624732E+02 -0.154119E-06 0.356234E-04    0.981962E+00
  90   -0.406456E-05    0.596507E+02  0.681394E-07 0.356234E-04    0.980185E+00
  91    0.130775E-05    0.583530E+02 -0.224111E-07 0.356234E-04    0.992587E+00
  92   -0.813133E-05    0.558678E+02  0.145546E-06 0.356234E-04    0.977091E+00
  93   -0.150847E-04    0.536949E+02  0.280934E-06 0.356234E-04    0.982370E+00
  94    0.487733E-05    0.524418E+02 -0.930046E-07 0.356234E-04    0.978523E+00
  95    0.153521E-04    0.502543E+02 -0.305488E-06 0.402675E-04    0.983441E+00
  96    0.430992E-05    0.480699E+02 -0.896596E-07 0.356234E-04    0.983939E+00
  97   -0.737610E-05    0.439707E+02  0.167750E-06 0.356234E-04    0.980386E+00
  98    0.601558E-05    0.395821E+02 -0.151977E-06 0.356234E-04    0.982773E+00
  99    0.640167E-05    0.380599E+02 -0.168200E-06 0.356234E-04    0.974791E+00
 100    0.146911E-04    0.359967E+02 -0.408124E-06 0.356234E-04    0.983316E+00
 101    0.357956E-04    0.343619E+02 -0.104172E-05 0.356234E-04    0.979531E+00
 102    0.167823E-04    0.302578E+02 -0.554644E-06 0.356234E-04    0.983725E+00
 103    0.121146E-04    0.290736E+02 -0.416687E-06 0.402675E-04    0.980831E+00
 104   -0.184026E-04    0.286783E+02  0.641690E-06 0.356234E-04    0.982741E+00
 105   -0.343153E-05    0.238488E+02  0.143887E-06 0.356234E-04    0.958833E+00
 106    0.356430E-05    0.218469E+02 -0.163149E-06 0.356234E-04    0.991884E+00
 107   -0.333448E-04    0.197612E+02  0.168739E-05 0.402675E-04    0.978772E+00
 108    0.533056E-04    0.163122E+02 -0.326784E-05 0.356234E-04    0.984452E+00
 109   -0.320818E-04    0.140385E+02  0.228528E-05 0.356234E-04    0.982859E+00
 110    0.592336E-05    0.129699E+02 -0.456701E-06 0.356234E-04    0.962009E+00
 111    0.376108E-04    0.120150E+02 -0.313033E-05 0.356234E-04    0.976171E+00
 112   -0.234673E-04    0.927151E+01  0.253112E-05 0.356234E-04    0.987063E+00
 113   -0.777012E-04    0.749160E+01  0.103718E-04 0.356234E-04    0.981825E+00
 114    0.894713E-01    0.466507E+01  0.400000E-03 0.400000E-03    0.441924E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1917194355E-01

 Beginning of optimization cycle   27.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4021968898
 potential> RMS force:                                               0.0085545811   |gradient|=.9133793219E-01
 Eigenvalues of the Hessian matrix:
   715.19560    669.17118    621.45249    601.79174    589.35293    562.36982 
   558.83957    477.09608    471.90066    464.29489    441.80467    432.53536 
   419.81190    404.92039    398.62434    387.96840    366.95105    364.73583 
   353.48161    346.51316    325.15452    323.75793    319.08949    315.20953 
   305.42489    287.26462    280.15267    272.08974    265.92518    261.68911 
   257.71090    253.38144    245.19013    240.21860    233.58857    228.29556 
   226.02714    213.30982    211.31486    209.96651    202.79429    198.95023 
   195.12999    191.76782    186.55985    179.25497    170.71836    168.11016 
   165.84702    160.76132    154.21142    151.08953    148.08490    142.20677 
   136.85263    134.42082    131.04234    127.73178    125.47567    123.98738 
   119.45137    118.06063    116.09657    113.08640    110.62390    105.85395 
   102.87453    100.80800     97.18656     94.98429     91.79400     90.24716 
    87.38555     84.42108     80.95455     78.97120     78.70062     73.22278 
    71.10979     70.00121     67.40143     63.87847     62.47194     59.65121 
    58.35581     55.86679     53.69525     52.43955     50.25527     48.06903 
    43.96664     39.58556     38.05252     36.00007     34.36554     30.24777 
    29.07237     28.67880     23.84305     21.84733     19.75637     16.31784 
    14.03543     12.96463     12.01069      9.27350      7.49351      4.66841 
overlap for current and previous eigenvector    109 is         0.9999914750
overlap for current and previous eigenvector    110 is        -0.9999920143
overlap for current and previous eigenvector    111 is        -0.9999925706
overlap for current and previous eigenvector    112 is         0.9999996430
overlap for current and previous eigenvector    113 is        -0.9999992621
overlap for current and previous eigenvector    114 is         0.9999989976
J1,K1,R1,R2,RAT=   7   7   -0.1575687720E-02     2.001412585        0.9984243123    
FOB,PFOB,DIAG,PSTEP=    0.3283825535E-06    0.3278658971E-06     715.1955956       -0.4584656830E-09
J1,K1,R1,R2,RAT=   8   8    0.2335453213         1.766390342        0.7663903419    
FOB,PFOB,DIAG,PSTEP=    0.2792766267E-07    0.3643781845E-07     669.1711829       -0.5445391488E-10
J1,K1,R1,R2,RAT=   9   9   -0.1944695791E-01     2.019348405        0.9805530421    
FOB,PFOB,DIAG,PSTEP=    0.3165383937E-06    0.3104998192E-06     621.4524939       -0.4996602691E-09
J1,K1,R1,R2,RAT=  10  10   -0.7629972388E-02     2.007539762        0.9923700276    
FOB,PFOB,DIAG,PSTEP=    0.9220244377E-06    0.9150423747E-06     601.7917399       -0.1520598554E-08
J1,K1,R1,R2,RAT=  11  11   -0.4534356713E-02     2.004506079        0.9954656433    
FOB,PFOB,DIAG,PSTEP=   -0.7697892563E-06   -0.7663144641E-06     589.3529288        0.1300282499E-08
J1,K1,R1,R2,RAT= 109 109   -0.1672426113E-01     2.017156205        0.9832757389    
FOB,PFOB,DIAG,PSTEP=   -0.3261820585E-04   -0.3208177767E-04     14.03542552        0.2285278089E-05
J1,K1,R1,R2,RAT= 110 110     2.038537212       -0.3772708542E-01    0.9622729146    
FOB,PFOB,DIAG,PSTEP=   -0.6146741375E-05    0.5923360722E-05     12.96462529       -0.4567013875E-06
J1,K1,R1,R2,RAT= 111 111     2.024074760       -0.2336433194E-01    0.9766356681    
FOB,PFOB,DIAG,PSTEP=   -0.3848926439E-04    0.3761082463E-04     12.01069180       -0.3130333383E-05
J1,K1,R1,R2,RAT= 112 112   -0.1244261701E-01     2.012014041        0.9875573830    
FOB,PFOB,DIAG,PSTEP=   -0.2375934460E-04   -0.2346728755E-04     9.273501547        0.2531116996E-05
J1,K1,R1,R2,RAT= 113 113     2.017237924       -0.1774755334E-01    0.9822524467    
FOB,PFOB,DIAG,PSTEP=    0.7908056428E-04   -0.7770120649E-04     7.493512520        0.1037177302E-04
J1,K1,R1,R2,RAT= 114 114    0.9995614546        -96.82595038        0.4385453599E-03
FOB,PFOB,DIAG,PSTEP=    0.9133783370E-01    0.8947129037E-01     4.668405612        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00001      0.00001     -0.00000      0.00000      0.00001 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00001 
    -0.00000      0.00001      0.00000     -0.00001      0.00000     -0.00001 
    -0.00001     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00001      0.00001      0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000      0.00001      0.00002      0.00000      0.00002      0.00000 
    -0.00001     -0.00001      0.00001      0.00001      0.00004      0.00002 
     0.00001      0.00002      0.00000      0.00000     -0.00003      0.00005 
    -0.00003     -0.00001     -0.00004     -0.00002      0.00008      0.09134 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4321207131
 Log product of positive Hessian eigenvalues =          520.5161351772
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6684056122
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000000
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000015
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000032
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000079
 Unscaled step for mode   15=       -0.0000000026
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=       -0.0000000006
 Unscaled step for mode   18=       -0.0000000042
 Unscaled step for mode   19=       -0.0000000075
 Unscaled step for mode   20=       -0.0000000124
 Unscaled step for mode   21=       -0.0000000052
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000038
 Unscaled step for mode   25=        0.0000000106
 Unscaled step for mode   26=       -0.0000000148
 Unscaled step for mode   27=       -0.0000000112
 Unscaled step for mode   28=       -0.0000000093
 Unscaled step for mode   29=        0.0000000069
 Unscaled step for mode   30=        0.0000000074
 Unscaled step for mode   31=        0.0000000011
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000066
 Unscaled step for mode   34=       -0.0000000031
 Unscaled step for mode   35=       -0.0000000199
 Unscaled step for mode   36=       -0.0000000021
 Unscaled step for mode   37=        0.0000000083
 Unscaled step for mode   38=        0.0000000057
 Unscaled step for mode   39=        0.0000000151
 Unscaled step for mode   40=       -0.0000000025
 Unscaled step for mode   41=       -0.0000000048
 Unscaled step for mode   42=        0.0000000026
 Unscaled step for mode   43=       -0.0000000029
 Unscaled step for mode   44=       -0.0000000013
 Unscaled step for mode   45=        0.0000000079
 Unscaled step for mode   46=        0.0000000055
 Unscaled step for mode   47=        0.0000000244
 Unscaled step for mode   48=        0.0000000055
 Unscaled step for mode   49=       -0.0000000119
 Unscaled step for mode   50=        0.0000000120
 Unscaled step for mode   51=        0.0000000111
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=        0.0000000142
 Unscaled step for mode   54=       -0.0000000027
 Unscaled step for mode   55=        0.0000000269
 Unscaled step for mode   56=       -0.0000000106
 Unscaled step for mode   57=        0.0000000053
 Unscaled step for mode   58=        0.0000000240
 Unscaled step for mode   59=       -0.0000000136
 Unscaled step for mode   60=       -0.0000000230
 Unscaled step for mode   61=       -0.0000000190
 Unscaled step for mode   62=        0.0000000659
 Unscaled step for mode   63=       -0.0000000419
 Unscaled step for mode   64=        0.0000000059
 Unscaled step for mode   65=       -0.0000000101
 Unscaled step for mode   66=       -0.0000000453
 Unscaled step for mode   67=       -0.0000000046
 Unscaled step for mode   68=       -0.0000000118
 Unscaled step for mode   69=        0.0000000079
 Unscaled step for mode   70=        0.0000000126
 Unscaled step for mode   71=       -0.0000000021
 Unscaled step for mode   72=        0.0000000599
 Unscaled step for mode   73=        0.0000000116
 Unscaled step for mode   74=       -0.0000000817
 Unscaled step for mode   75=       -0.0000000383
 Unscaled step for mode   76=        0.0000000642
 Unscaled step for mode   77=       -0.0000000003
 Unscaled step for mode   78=        0.0000001201
 Unscaled step for mode   79=        0.0000001616
 Unscaled step for mode   80=        0.0000000267
 Unscaled step for mode   81=       -0.0000000397
 Unscaled step for mode   82=        0.0000000631
 Unscaled step for mode   83=       -0.0000000978
 Unscaled step for mode   84=       -0.0000000507
 Unscaled step for mode   85=        0.0000001288
 Unscaled step for mode   86=       -0.0000001611
 Unscaled step for mode   87=       -0.0000000727
 Unscaled step for mode   88=        0.0000000126
 Unscaled step for mode   89=        0.0000001569
 Unscaled step for mode   90=        0.0000000695
 Unscaled step for mode   91=        0.0000000226
 Unscaled step for mode   92=       -0.0000001488
 Unscaled step for mode   93=       -0.0000002858
 Unscaled step for mode   94=       -0.0000000950
 Unscaled step for mode   95=       -0.0000003104
 Unscaled step for mode   96=       -0.0000000911
 Unscaled step for mode   97=        0.0000001710
 Unscaled step for mode   98=        0.0000001545
 Unscaled step for mode   99=       -0.0000001724
 Unscaled step for mode  100=       -0.0000004148
 Unscaled step for mode  101=       -0.0000010625
 Unscaled step for mode  102=       -0.0000005636
 Unscaled step for mode  103=       -0.0000004245
 Unscaled step for mode  104=       -0.0000006525
 Unscaled step for mode  105=       -0.0000001497
 Unscaled step for mode  106=       -0.0000001644
 Unscaled step for mode  107=        0.0000017229
 Unscaled step for mode  108=       -0.0000033161
 Unscaled step for mode  109=        0.0000023240
 Unscaled step for mode  110=        0.0000004741
 Unscaled step for mode  111=        0.0000032046
 Unscaled step for mode  112=        0.0000025621
 Unscaled step for mode  113=       -0.0000105532
 Unscaled step for mode  114=        0.0195576187
 Largest modulus ratio of non-zero e/values=           153.1991123    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.613875E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.653774E-16    0.100783E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.414957E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.200306E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.982721E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.729973E-15    0.973425E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.328383E-06    0.715196E+03 -0.459151E-09 0.320931E-04    0.998424E+00
   8    0.279277E-07    0.669171E+03 -0.417347E-10 0.320931E-04    0.766390E+00
   9    0.316538E-06    0.621452E+03 -0.509353E-09 0.320931E-04    0.980553E+00
  10    0.922024E-06    0.601792E+03 -0.153213E-08 0.320931E-04    0.992370E+00
  11   -0.769789E-06    0.589353E+03  0.130616E-08 0.320931E-04    0.995466E+00
  12    0.179565E-05    0.562370E+03 -0.319300E-08 0.320931E-04    0.991680E+00
  13    0.193904E-05    0.558840E+03 -0.346976E-08 0.320931E-04    0.996347E+00
  14   -0.376606E-05    0.477096E+03  0.789372E-08 0.362770E-04    0.991753E+00
  15    0.125047E-05    0.471901E+03 -0.264986E-08 0.320931E-04    0.993322E+00
  16    0.383843E-06    0.464295E+03 -0.826722E-09 0.320931E-04    0.982516E+00
  17    0.279243E-06    0.441805E+03 -0.632052E-09 0.362770E-04    0.976149E+00
  18    0.182511E-05    0.432535E+03 -0.421957E-08 0.320931E-04    0.989698E+00
  19    0.315449E-05    0.419812E+03 -0.751405E-08 0.320931E-04    0.987500E+00
  20    0.501701E-05    0.404920E+03 -0.123901E-07 0.320931E-04    0.990982E+00
  21    0.207219E-05    0.398624E+03 -0.519836E-08 0.320931E-04    0.985380E+00
  22   -0.957829E-06    0.387968E+03  0.246883E-08 0.320931E-04    0.999804E+00
  23   -0.174123E-05    0.366951E+03  0.474512E-08 0.320931E-04    0.994516E+00
  24    0.137235E-05    0.364736E+03 -0.376258E-08 0.320931E-04    0.991443E+00
  25   -0.374403E-05    0.353482E+03  0.105919E-07 0.320931E-04    0.986819E+00
  26    0.512772E-05    0.346513E+03 -0.147981E-07 0.320931E-04    0.985535E+00
  27    0.363348E-05    0.325155E+03 -0.111746E-07 0.320931E-04    0.986600E+00
  28    0.302000E-05    0.323758E+03 -0.932797E-08 0.320931E-04    0.988289E+00
  29   -0.220328E-05    0.319089E+03  0.690489E-08 0.320931E-04    0.978388E+00
  30   -0.233563E-05    0.315210E+03  0.740977E-08 0.320931E-04    0.988879E+00
  31   -0.325506E-06    0.305425E+03  0.106575E-08 0.362770E-04    0.958924E+00
  32    0.444595E-06    0.287265E+03 -0.154768E-08 0.320931E-04    0.997011E+00
  33    0.184315E-05    0.280153E+03 -0.657909E-08 0.320931E-04    0.985646E+00
  34    0.837671E-06    0.272090E+03 -0.307866E-08 0.362770E-04    0.989416E+00
  35    0.529128E-05    0.265925E+03 -0.198976E-07 0.320931E-04    0.984735E+00
  36    0.550018E-06    0.261689E+03 -0.210180E-08 0.320931E-04    0.982422E+00
  37   -0.214776E-05    0.257711E+03  0.833400E-08 0.320931E-04    0.984280E+00
  38   -0.144193E-05    0.253381E+03  0.569074E-08 0.320931E-04    0.986485E+00
  39   -0.370905E-05    0.245190E+03  0.151272E-07 0.320931E-04    0.984125E+00
  40    0.597802E-06    0.240219E+03 -0.248858E-08 0.320931E-04    0.958670E+00
  41    0.111086E-05    0.233589E+03 -0.475565E-08 0.320931E-04    0.972039E+00
  42   -0.591536E-06    0.228296E+03  0.259110E-08 0.320931E-04    0.973850E+00
  43    0.666273E-06    0.226027E+03 -0.294776E-08 0.320931E-04    0.982466E+00
  44    0.276286E-06    0.213310E+03 -0.129523E-08 0.320931E-04    0.961978E+00
  45   -0.166346E-05    0.211315E+03  0.787193E-08 0.320931E-04    0.977984E+00
  46   -0.114884E-05    0.209967E+03  0.547155E-08 0.320931E-04    0.980415E+00
  47   -0.495747E-05    0.202794E+03  0.244458E-07 0.320931E-04    0.982419E+00
  48   -0.108673E-05    0.198950E+03  0.546231E-08 0.320931E-04    0.991859E+00
  49    0.232718E-05    0.195130E+03 -0.119263E-07 0.362770E-04    0.980579E+00
  50   -0.230935E-05    0.191768E+03  0.120424E-07 0.320931E-04    0.984732E+00
  51   -0.207944E-05    0.186560E+03  0.111462E-07 0.320931E-04    0.983306E+00
  52    0.369251E-06    0.179255E+03 -0.205992E-08 0.320931E-04    0.989488E+00
  53   -0.241590E-05    0.170718E+03  0.141514E-07 0.320931E-04    0.983816E+00
  54    0.452847E-06    0.168110E+03 -0.269375E-08 0.320931E-04    0.966824E+00
  55   -0.446806E-05    0.165847E+03  0.269409E-07 0.320931E-04    0.983959E+00
  56    0.169981E-05    0.160761E+03 -0.105735E-07 0.320931E-04    0.985442E+00
  57   -0.811792E-06    0.154211E+03  0.526415E-08 0.320931E-04    0.986007E+00
  58   -0.362779E-05    0.151090E+03  0.240109E-07 0.320931E-04    0.985270E+00
  59    0.200863E-05    0.148085E+03 -0.135641E-07 0.362770E-04    0.980206E+00
  60    0.327424E-05    0.142207E+03 -0.230245E-07 0.320931E-04    0.980786E+00
  61    0.259973E-05    0.136853E+03 -0.189966E-07 0.320931E-04    0.983783E+00
  62   -0.886105E-05    0.134421E+03  0.659202E-07 0.320931E-04    0.984433E+00
  63    0.549642E-05    0.131042E+03 -0.419438E-07 0.320931E-04    0.984387E+00
  64   -0.759779E-06    0.127732E+03  0.594823E-08 0.320931E-04    0.980033E+00
  65    0.127273E-05    0.125476E+03 -0.101432E-07 0.320931E-04    0.988278E+00
  66    0.562014E-05    0.123987E+03 -0.453284E-07 0.320931E-04    0.983314E+00
  67    0.548384E-06    0.119451E+03 -0.459086E-08 0.320931E-04    0.987656E+00
  68    0.138980E-05    0.118061E+03 -0.117719E-07 0.320931E-04    0.982035E+00
  69   -0.913663E-06    0.116097E+03  0.786985E-08 0.320931E-04    0.995445E+00
  70   -0.142335E-05    0.113086E+03  0.125864E-07 0.320931E-04    0.968193E+00
  71    0.233863E-06    0.110624E+03 -0.211404E-08 0.320931E-04    0.988857E+00
  72   -0.634416E-05    0.105854E+03  0.599331E-07 0.362770E-04    0.982249E+00
  73   -0.119723E-05    0.102875E+03  0.116378E-07 0.320931E-04    0.967641E+00
  74    0.823713E-05    0.100808E+03 -0.817110E-07 0.320931E-04    0.982581E+00
  75    0.372424E-05    0.971866E+02 -0.383205E-07 0.320931E-04    0.977665E+00
  76   -0.609593E-05    0.949843E+02  0.641783E-07 0.320931E-04    0.981329E+00
  77    0.234882E-07    0.917940E+02 -0.255879E-09 0.531044E-04    0.781831E+00
  78   -0.108394E-04    0.902472E+02  0.120108E-06 0.320931E-04    0.980410E+00
  79   -0.141191E-04    0.873856E+02  0.161572E-06 0.320931E-04    0.983209E+00
  80   -0.225442E-05    0.844211E+02  0.267044E-07 0.320931E-04    0.977954E+00
  81    0.321709E-05    0.809545E+02 -0.397395E-07 0.320931E-04    0.979784E+00
  82   -0.498177E-05    0.789712E+02  0.630834E-07 0.320931E-04    0.976087E+00
  83    0.769587E-05    0.787006E+02 -0.977867E-07 0.362770E-04    0.988767E+00
  84    0.371430E-05    0.732228E+02 -0.507260E-07 0.320931E-04    0.980137E+00
  85   -0.916086E-05    0.711098E+02  0.128827E-06 0.362770E-04    0.983523E+00
  86    0.112765E-04    0.700012E+02 -0.161091E-06 0.320931E-04    0.981340E+00
  87    0.490229E-05    0.674014E+02 -0.727327E-07 0.320931E-04    0.988246E+00
  88   -0.803448E-06    0.638785E+02  0.125778E-07 0.320931E-04    0.978237E+00
  89   -0.979880E-05    0.624719E+02  0.156851E-06 0.320931E-04    0.982291E+00
  90   -0.414367E-05    0.596512E+02  0.694649E-07 0.320931E-04    0.980538E+00
  91   -0.131691E-05    0.583558E+02  0.225670E-07 0.320931E-04    0.992997E+00
  92    0.831466E-05    0.558668E+02 -0.148830E-06 0.320931E-04    0.977453E+00
  93    0.153451E-04    0.536952E+02 -0.285781E-06 0.320931E-04    0.982740E+00
  94    0.498037E-05    0.524395E+02 -0.949736E-07 0.320931E-04    0.978872E+00
  95    0.156006E-04    0.502553E+02 -0.310428E-06 0.362770E-04    0.983809E+00
  96    0.437761E-05    0.480690E+02 -0.910692E-07 0.320931E-04    0.984295E+00
  97   -0.751797E-05    0.439666E+02  0.170993E-06 0.320931E-04    0.980764E+00
  98   -0.611711E-05    0.395856E+02  0.154529E-06 0.320931E-04    0.983123E+00
  99    0.656049E-05    0.380525E+02 -0.172406E-06 0.320931E-04    0.975186E+00
 100    0.149311E-04    0.360001E+02 -0.414752E-06 0.320931E-04    0.983669E+00
 101    0.365135E-04    0.343655E+02 -0.106250E-05 0.320931E-04    0.979948E+00
 102    0.170491E-04    0.302478E+02 -0.563647E-06 0.320931E-04    0.984100E+00
 103    0.123421E-04    0.290724E+02 -0.424530E-06 0.362770E-04    0.981220E+00
 104    0.187128E-04    0.286788E+02 -0.652496E-06 0.320931E-04    0.983142E+00
 105    0.356931E-05    0.238431E+02 -0.149700E-06 0.320931E-04    0.959841E+00
 106    0.359116E-05    0.218473E+02 -0.164375E-06 0.320931E-04    0.992462E+00
 107   -0.340385E-04    0.197564E+02  0.172291E-05 0.362770E-04    0.979191E+00
 108    0.541113E-04    0.163178E+02 -0.331609E-05 0.320931E-04    0.984889E+00
 109   -0.326182E-04    0.140354E+02  0.232399E-05 0.320931E-04    0.983276E+00
 110   -0.614674E-05    0.129646E+02  0.474116E-06 0.320931E-04    0.962273E+00
 111   -0.384893E-04    0.120107E+02  0.320458E-05 0.320931E-04    0.976636E+00
 112   -0.237593E-04    0.927350E+01  0.256207E-05 0.320931E-04    0.987557E+00
 113    0.790806E-04    0.749351E+01 -0.105532E-04 0.320931E-04    0.982252E+00
 114    0.913378E-01    0.466841E+01  0.400000E-03 0.400000E-03    0.438545E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1955761871E-01

 Beginning of optimization cycle   28.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4021599818
 potential> RMS force:                                               0.0087295232   |gradient|=.9320580191E-01
 Eigenvalues of the Hessian matrix:
   715.25393    669.19265    621.48299    601.81874    589.36113    562.39498 
   558.87635    477.10833    471.87933    464.28157    441.79970    432.52350 
   419.81896    404.93038    398.62114    387.97506    366.94988    364.72496 
   353.46960    346.47285    325.12042    323.76240    319.08685    315.23137 
   305.42485    287.26464    280.15065    272.08140    265.92184    261.69319 
   257.70822    253.38031    245.17370    240.20882    233.59580    228.29815 
   226.00926    213.29913    211.30827    209.97077    202.79521    198.94491 
   195.13248    191.76515    186.56072    179.24032    170.71637    168.11172 
   165.84560    160.76002    154.20365    151.08890    148.09141    142.21226 
   136.85359    134.42407    131.04227    127.73130    125.47884    123.99627 
   119.45035    118.05841    116.10064    113.08153    110.61969    105.84994 
   102.87310    100.80416     97.18810     94.98496     91.78702     90.25126 
    87.39530     84.42119     80.95278     78.97118     78.70255     73.22033 
    71.11294     69.99313     67.40530     63.87209     62.47066     59.65166 
    58.35862     55.86574     53.69557     52.43733     50.25625     48.06821 
    43.96256     39.58897     38.04509     36.00338     34.36921     30.23773 
    29.07113     28.67930     23.83727     21.84775     19.75162     16.32345 
    14.03241     12.95936     12.00637      9.27549      7.49540      4.67170 
overlap for current and previous eigenvector    109 is         0.9999915145
overlap for current and previous eigenvector    110 is         0.9999919390
overlap for current and previous eigenvector    111 is        -0.9999924204
overlap for current and previous eigenvector    112 is         0.9999996436
overlap for current and previous eigenvector    113 is        -0.9999992647
overlap for current and previous eigenvector    114 is         0.9999990021
J1,K1,R1,R2,RAT=   7   7   -0.1343677434E-02     2.001180563        0.9986563226    
FOB,PFOB,DIAG,PSTEP=    0.3288238297E-06    0.3283825535E-06     715.2539299       -0.4591506932E-09
J1,K1,R1,R2,RAT=   8   8    0.3083649012         1.691570931        0.6915709306    
FOB,PFOB,DIAG,PSTEP=    0.1931547542E-07    0.2792766267E-07     669.1926533       -0.4173470614E-10
J1,K1,R1,R2,RAT=   9   9   -0.1908022643E-01     2.018982101        0.9809197736    
FOB,PFOB,DIAG,PSTEP=    0.3225783143E-06    0.3165383937E-06     621.4829855       -0.5093525198E-09
J1,K1,R1,R2,RAT=  10  10   -0.7519117246E-02     2.007429390        0.9924808828    
FOB,PFOB,DIAG,PSTEP=    0.9289575586E-06    0.9220244377E-06     601.8187396       -0.1532132093E-08
J1,K1,R1,R2,RAT=  11  11   -0.4457807963E-02     2.004429983        0.9955421920    
FOB,PFOB,DIAG,PSTEP=   -0.7732208768E-06   -0.7697892563E-06     589.3611283        0.1306160059E-08
J1,K1,R1,R2,RAT= 109 109   -0.1632387145E-01     2.016753871        0.9836761286    
FOB,PFOB,DIAG,PSTEP=   -0.3315054679E-04   -0.3261820585E-04     14.03240856        0.2323991232E-05
J1,K1,R1,R2,RAT= 110 110   -0.3746707694E-01     2.038279547        0.9625329231    
FOB,PFOB,DIAG,PSTEP=   -0.6376948289E-05   -0.6146741375E-05     12.95936074        0.4741163928E-06
J1,K1,R1,R2,RAT= 111 111     2.023634766       -0.2291550716E-01    0.9770844928    
FOB,PFOB,DIAG,PSTEP=    0.3937094832E-04   -0.3848926439E-04     12.00637395        0.3204583470E-05
J1,K1,R1,R2,RAT= 112 112   -0.1196430654E-01     2.011535623        0.9880356935    
FOB,PFOB,DIAG,PSTEP=   -0.2404366963E-04   -0.2375934460E-04     9.275489673        0.2562068328E-05
J1,K1,R1,R2,RAT= 113 113     2.016832284       -0.1733609708E-01    0.9826639029    
FOB,PFOB,DIAG,PSTEP=   -0.8045185806E-04    0.7908056428E-04     7.495400662       -0.1055320373E-04
J1,K1,R1,R2,RAT= 114 114    0.9995648319        -98.75601404        0.4351680653E-03
FOB,PFOB,DIAG,PSTEP=    0.9320570200E-01    0.9133783370E-01     4.671703731        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00001      0.00001     -0.00000      0.00000      0.00001 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
     0.00000      0.00001      0.00000     -0.00001      0.00000      0.00001 
    -0.00001     -0.00000      0.00000      0.00001      0.00001      0.00000 
    -0.00001      0.00001      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00001      0.00002     -0.00001      0.00002     -0.00000 
    -0.00001     -0.00001     -0.00001     -0.00002     -0.00004     -0.00002 
    -0.00001      0.00002      0.00000      0.00000     -0.00003      0.00005 
    -0.00003     -0.00001      0.00004     -0.00002     -0.00008      0.09321 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4322158483
 Log product of positive Hessian eigenvalues =          520.5154859242
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6717037308
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000000
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000015
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000032
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000080
 Unscaled step for mode   15=       -0.0000000027
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=       -0.0000000006
 Unscaled step for mode   18=       -0.0000000043
 Unscaled step for mode   19=       -0.0000000076
 Unscaled step for mode   20=       -0.0000000125
 Unscaled step for mode   21=       -0.0000000053
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000038
 Unscaled step for mode   25=        0.0000000107
 Unscaled step for mode   26=       -0.0000000150
 Unscaled step for mode   27=       -0.0000000113
 Unscaled step for mode   28=       -0.0000000094
 Unscaled step for mode   29=        0.0000000071
 Unscaled step for mode   30=        0.0000000075
 Unscaled step for mode   31=        0.0000000011
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000067
 Unscaled step for mode   34=       -0.0000000031
 Unscaled step for mode   35=       -0.0000000202
 Unscaled step for mode   36=       -0.0000000021
 Unscaled step for mode   37=        0.0000000085
 Unscaled step for mode   38=        0.0000000058
 Unscaled step for mode   39=        0.0000000154
 Unscaled step for mode   40=       -0.0000000026
 Unscaled step for mode   41=       -0.0000000049
 Unscaled step for mode   42=        0.0000000027
 Unscaled step for mode   43=       -0.0000000030
 Unscaled step for mode   44=       -0.0000000012
 Unscaled step for mode   45=        0.0000000080
 Unscaled step for mode   46=        0.0000000056
 Unscaled step for mode   47=        0.0000000249
 Unscaled step for mode   48=        0.0000000055
 Unscaled step for mode   49=       -0.0000000122
 Unscaled step for mode   50=        0.0000000122
 Unscaled step for mode   51=        0.0000000113
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=        0.0000000144
 Unscaled step for mode   54=        0.0000000028
 Unscaled step for mode   55=       -0.0000000274
 Unscaled step for mode   56=        0.0000000107
 Unscaled step for mode   57=        0.0000000053
 Unscaled step for mode   58=        0.0000000244
 Unscaled step for mode   59=        0.0000000138
 Unscaled step for mode   60=        0.0000000235
 Unscaled step for mode   61=        0.0000000193
 Unscaled step for mode   62=       -0.0000000669
 Unscaled step for mode   63=       -0.0000000426
 Unscaled step for mode   64=        0.0000000061
 Unscaled step for mode   65=       -0.0000000103
 Unscaled step for mode   66=       -0.0000000461
 Unscaled step for mode   67=       -0.0000000046
 Unscaled step for mode   68=       -0.0000000120
 Unscaled step for mode   69=        0.0000000079
 Unscaled step for mode   70=        0.0000000130
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=        0.0000000610
 Unscaled step for mode   73=       -0.0000000120
 Unscaled step for mode   74=       -0.0000000831
 Unscaled step for mode   75=       -0.0000000392
 Unscaled step for mode   76=        0.0000000654
 Unscaled step for mode   77=       -0.0000000003
 Unscaled step for mode   78=       -0.0000001224
 Unscaled step for mode   79=        0.0000001642
 Unscaled step for mode   80=        0.0000000273
 Unscaled step for mode   81=       -0.0000000405
 Unscaled step for mode   82=       -0.0000000646
 Unscaled step for mode   83=       -0.0000000988
 Unscaled step for mode   84=       -0.0000000517
 Unscaled step for mode   85=        0.0000001309
 Unscaled step for mode   86=       -0.0000001641
 Unscaled step for mode   87=       -0.0000000736
 Unscaled step for mode   88=       -0.0000000128
 Unscaled step for mode   89=        0.0000001596
 Unscaled step for mode   90=       -0.0000000708
 Unscaled step for mode   91=        0.0000000227
 Unscaled step for mode   92=        0.0000001521
 Unscaled step for mode   93=       -0.0000002906
 Unscaled step for mode   94=        0.0000000970
 Unscaled step for mode   95=       -0.0000003153
 Unscaled step for mode   96=        0.0000000925
 Unscaled step for mode   97=        0.0000001742
 Unscaled step for mode   98=        0.0000001571
 Unscaled step for mode   99=        0.0000001767
 Unscaled step for mode  100=        0.0000004213
 Unscaled step for mode  101=        0.0000010833
 Unscaled step for mode  102=        0.0000005726
 Unscaled step for mode  103=        0.0000004324
 Unscaled step for mode  104=       -0.0000006632
 Unscaled step for mode  105=       -0.0000001556
 Unscaled step for mode  106=       -0.0000001655
 Unscaled step for mode  107=        0.0000017585
 Unscaled step for mode  108=       -0.0000033637
 Unscaled step for mode  109=        0.0000023624
 Unscaled step for mode  110=        0.0000004921
 Unscaled step for mode  111=       -0.0000032792
 Unscaled step for mode  112=        0.0000025922
 Unscaled step for mode  113=        0.0000107335
 Unscaled step for mode  114=        0.0199431806
 Largest modulus ratio of non-zero e/values=           153.1034439    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.238741E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.327375E-15    0.100783E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.130477E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.263065E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.103541E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.312487E-15    0.973426E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.328824E-06    0.715254E+03 -0.459730E-09 0.289127E-04    0.998656E+00
   8    0.193155E-07    0.669193E+03 -0.288638E-10 0.289127E-04    0.691571E+00
   9    0.322578E-06    0.621483E+03 -0.519046E-09 0.289127E-04    0.980920E+00
  10    0.928958E-06    0.601819E+03 -0.154358E-08 0.289127E-04    0.992481E+00
  11   -0.773221E-06    0.589361E+03  0.131196E-08 0.289127E-04    0.995542E+00
  12    0.181043E-05    0.562395E+03 -0.321915E-08 0.289127E-04    0.991766E+00
  13    0.194589E-05    0.558876E+03 -0.348178E-08 0.289127E-04    0.996468E+00
  14   -0.379667E-05    0.477108E+03  0.795767E-08 0.326820E-04    0.991872E+00
  15    0.125871E-05    0.471879E+03 -0.266745E-08 0.289127E-04    0.993406E+00
  16    0.390528E-06    0.464282E+03 -0.841145E-09 0.289127E-04    0.982583E+00
  17    0.285831E-06    0.441800E+03 -0.646969E-09 0.326820E-04    0.976411E+00
  18    0.184370E-05    0.432523E+03 -0.426267E-08 0.289127E-04    0.989814E+00
  19    0.319353E-05    0.419819E+03 -0.760693E-08 0.289127E-04    0.987623E+00
  20    0.506161E-05    0.404930E+03 -0.124999E-07 0.289127E-04    0.991111E+00
  21    0.210212E-05    0.398621E+03 -0.527348E-08 0.289127E-04    0.985559E+00
  22   -0.957790E-06    0.387975E+03  0.246869E-08 0.289127E-04    0.999925E+00
  23   -0.175053E-05    0.366950E+03  0.477050E-08 0.289127E-04    0.994656E+00
  24    0.138388E-05    0.364725E+03 -0.379430E-08 0.289127E-04    0.991598E+00
  25   -0.379287E-05    0.353470E+03  0.107304E-07 0.289127E-04    0.986956E+00
  26    0.520117E-05    0.346473E+03 -0.150118E-07 0.289127E-04    0.985675E+00
  27    0.368155E-05    0.325120E+03 -0.113236E-07 0.289127E-04    0.986770E+00
  28    0.305481E-05    0.323762E+03 -0.943533E-08 0.289127E-04    0.988476E+00
  29   -0.225045E-05    0.319087E+03  0.705279E-08 0.289127E-04    0.978589E+00
  30   -0.236138E-05    0.315231E+03  0.749094E-08 0.289127E-04    0.988976E+00
  31   -0.338567E-06    0.305425E+03  0.110851E-08 0.326820E-04    0.959876E+00
  32    0.443088E-06    0.287265E+03 -0.154244E-08 0.289127E-04    0.996612E+00
  33    0.186929E-05    0.280151E+03 -0.667243E-08 0.289127E-04    0.985820E+00
  34    0.846463E-06    0.272081E+03 -0.311106E-08 0.326820E-04    0.989504E+00
  35    0.537107E-05    0.265922E+03 -0.201979E-07 0.289127E-04    0.984920E+00
  36    0.559667E-06    0.261693E+03 -0.213864E-08 0.289127E-04    0.982457E+00
  37   -0.218115E-05    0.257708E+03  0.846363E-08 0.289127E-04    0.984456E+00
  38   -0.146115E-05    0.253380E+03  0.576662E-08 0.289127E-04    0.986671E+00
  39   -0.376724E-05    0.245174E+03  0.153656E-07 0.289127E-04    0.984311E+00
  40    0.622020E-06    0.240209E+03 -0.258950E-08 0.289127E-04    0.959486E+00
  41    0.114153E-05    0.233596E+03 -0.488676E-08 0.289127E-04    0.972398E+00
  42   -0.606798E-06    0.228298E+03  0.265792E-08 0.289127E-04    0.974198E+00
  43    0.677847E-06    0.226009E+03 -0.299920E-08 0.289127E-04    0.982627E+00
  44    0.264822E-06    0.213299E+03 -0.124155E-08 0.289127E-04    0.958506E+00
  45   -0.169941E-05    0.211308E+03  0.804231E-08 0.289127E-04    0.978388E+00
  46   -0.117148E-05    0.209971E+03  0.557927E-08 0.289127E-04    0.980291E+00
  47   -0.504354E-05    0.202795E+03  0.248701E-07 0.289127E-04    0.982637E+00
  48   -0.109524E-05    0.198945E+03  0.550525E-08 0.289127E-04    0.992167E+00
  49    0.237186E-05    0.195132E+03 -0.121551E-07 0.326820E-04    0.980803E+00
  50   -0.234409E-05    0.191765E+03  0.122237E-07 0.289127E-04    0.984956E+00
  51   -0.211367E-05    0.186561E+03  0.113297E-07 0.289127E-04    0.983539E+00
  52    0.373027E-06    0.179240E+03 -0.208115E-08 0.289127E-04    0.989774E+00
  53   -0.245439E-05    0.170716E+03  0.143770E-07 0.289127E-04    0.984067E+00
  54   -0.467680E-06    0.168112E+03  0.278196E-08 0.289127E-04    0.967245E+00
  55    0.453868E-05    0.165846E+03 -0.273669E-07 0.289127E-04    0.984194E+00
  56   -0.172417E-05    0.160760E+03  0.107251E-07 0.289127E-04    0.985666E+00
  57   -0.822964E-06    0.154204E+03  0.533686E-08 0.289127E-04    0.986237E+00
  58   -0.368040E-05    0.151089E+03  0.243592E-07 0.289127E-04    0.985498E+00
  59   -0.204779E-05    0.148091E+03  0.138279E-07 0.326820E-04    0.980505E+00
  60   -0.333619E-05    0.142212E+03  0.234593E-07 0.289127E-04    0.981080E+00
  61   -0.264129E-05    0.136854E+03  0.193001E-07 0.289127E-04    0.984016E+00
  62    0.899672E-05    0.134424E+03 -0.669279E-07 0.289127E-04    0.984689E+00
  63    0.558085E-05    0.131042E+03 -0.425882E-07 0.289127E-04    0.984638E+00
  64   -0.774793E-06    0.127731E+03  0.606580E-08 0.289127E-04    0.980239E+00
  65    0.128719E-05    0.125479E+03 -0.102582E-07 0.289127E-04    0.988637E+00
  66    0.571247E-05    0.123996E+03 -0.460697E-07 0.289127E-04    0.983573E+00
  67    0.555044E-06    0.119450E+03 -0.464665E-08 0.289127E-04    0.987856E+00
  68    0.141440E-05    0.118058E+03 -0.119805E-07 0.289127E-04    0.982298E+00
  69   -0.917474E-06    0.116101E+03  0.790240E-08 0.289127E-04    0.995829E+00
  70   -0.146782E-05    0.113082E+03  0.129802E-07 0.289127E-04    0.968757E+00
  71   -0.236358E-06    0.110620E+03  0.213667E-08 0.289127E-04    0.989333E+00
  72   -0.645506E-05    0.105850E+03  0.609831E-07 0.326820E-04    0.982519E+00
  73    0.123541E-05    0.102873E+03 -0.120091E-07 0.289127E-04    0.968110E+00
  74    0.837819E-05    0.100804E+03 -0.831136E-07 0.289127E-04    0.982873E+00
  75    0.380631E-05    0.971881E+02 -0.391644E-07 0.289127E-04    0.977963E+00
  76   -0.620799E-05    0.949850E+02  0.653576E-07 0.289127E-04    0.981617E+00
  77    0.277932E-07    0.917870E+02 -0.302801E-09 0.478418E-04    0.816700E+00
  78    0.110485E-04    0.902513E+02 -0.122419E-06 0.289127E-04    0.980712E+00
  79   -0.143516E-04    0.873953E+02  0.164215E-06 0.289127E-04    0.983531E+00
  80   -0.230343E-05    0.844212E+02  0.272850E-07 0.289127E-04    0.978257E+00
  81    0.328105E-05    0.809528E+02 -0.405305E-07 0.289127E-04    0.980117E+00
  82    0.510004E-05    0.789712E+02 -0.645811E-07 0.289127E-04    0.976260E+00
  83    0.777862E-05    0.787026E+02 -0.988357E-07 0.326820E-04    0.989248E+00
  84    0.378691E-05    0.732203E+02 -0.517194E-07 0.289127E-04    0.980449E+00
  85   -0.930915E-05    0.711129E+02  0.130907E-06 0.326820E-04    0.983813E+00
  86    0.114830E-04    0.699931E+02 -0.164059E-06 0.289127E-04    0.981690E+00
  87    0.495808E-05    0.674053E+02 -0.735563E-07 0.289127E-04    0.988619E+00
  88    0.820245E-06    0.638721E+02 -0.128420E-07 0.289127E-04    0.979091E+00
  89   -0.996922E-05    0.624707E+02  0.159582E-06 0.289127E-04    0.982608E+00
  90    0.422290E-05    0.596517E+02 -0.707926E-07 0.289127E-04    0.980879E+00
  91   -0.132561E-05    0.583586E+02  0.227149E-07 0.289127E-04    0.993396E+00
  92   -0.849920E-05    0.558657E+02  0.152136E-06 0.289127E-04    0.977804E+00
  93    0.156045E-04    0.536956E+02 -0.290610E-06 0.289127E-04    0.983097E+00
  94   -0.508391E-05    0.524373E+02  0.969521E-07 0.289127E-04    0.979209E+00
  95    0.158477E-04    0.502563E+02 -0.315338E-06 0.326820E-04    0.984165E+00
  96   -0.444486E-05    0.480682E+02  0.924698E-07 0.289127E-04    0.984638E+00
  97   -0.765983E-05    0.439626E+02  0.174235E-06 0.289127E-04    0.981129E+00
  98   -0.621830E-05    0.395890E+02  0.157072E-06 0.289127E-04    0.983459E+00
  99   -0.672076E-05    0.380451E+02  0.176652E-06 0.289127E-04    0.975566E+00
 100   -0.151699E-04    0.360034E+02  0.421346E-06 0.289127E-04    0.984009E+00
 101   -0.372310E-04    0.343692E+02  0.108327E-05 0.289127E-04    0.980352E+00
 102   -0.173139E-04    0.302377E+02  0.572593E-06 0.289127E-04    0.984461E+00
 103   -0.125692E-04    0.290711E+02  0.432362E-06 0.326820E-04    0.981594E+00
 104    0.190210E-04    0.286793E+02 -0.663232E-06 0.289127E-04    0.983530E+00
 105    0.370917E-05    0.238373E+02 -0.155604E-06 0.289127E-04    0.960806E+00
 106    0.361621E-05    0.218478E+02 -0.165518E-06 0.289127E-04    0.993027E+00
 107   -0.347329E-04    0.197516E+02  0.175848E-05 0.326820E-04    0.979595E+00
 108    0.549065E-04    0.163234E+02 -0.336366E-05 0.289127E-04    0.985310E+00
 109   -0.331505E-04    0.140324E+02  0.236243E-05 0.289127E-04    0.983676E+00
 110   -0.637695E-05    0.129594E+02  0.492073E-06 0.289127E-04    0.962533E+00
 111    0.393709E-04    0.120064E+02 -0.327917E-05 0.289127E-04    0.977084E+00
 112   -0.240437E-04    0.927549E+01  0.259217E-05 0.289127E-04    0.988036E+00
 113   -0.804519E-04    0.749540E+01  0.107335E-04 0.289127E-04    0.982664E+00
 114    0.932057E-01    0.467170E+01  0.400000E-03 0.400000E-03    0.435168E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1994318061E-01

 Beginning of optimization cycle   29.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4021223265
 potential> RMS force:                                               0.0089045878   |gradient|=.9507498050E-01
 Eigenvalues of the Hessian matrix:
   715.31227    669.21407    621.51335    601.84560    589.36919    562.42010 
   558.91316    477.12062    471.85798    464.26828    441.79477    432.51166 
   419.82604    404.94041    398.61793    387.98168    366.94876    364.71410 
   353.45763    346.43254    325.08638    323.76689    319.08416    315.25318 
   305.42478    287.26468    280.14860    272.07307    265.91854    261.69734 
   257.70562    253.37923    245.15729    240.19905    233.60310    228.30075 
   225.99137    213.28852    211.30174    209.97494    202.79615    198.93960 
   195.13500    191.76250    186.56150    179.22566    170.71442    168.11325 
   165.84419    160.75869    154.19590    151.08828    148.09793    142.21774 
   136.85455    134.42735    131.04218    127.73082    125.48202    124.00514 
   119.44935    118.05621    116.10472    113.07661    110.61542    105.84592 
   102.87170    100.80032     97.18960     94.98564     91.78004     90.25538 
    87.40508     84.42131     80.95104     78.97118     78.70446     73.21787 
    71.11607     69.98504     67.40916     63.86574     62.46932     59.65210 
    58.36145     55.86470     53.69585     52.43512     50.25722     48.06739 
    43.95846     39.59237     38.03765     36.00666     34.37292     30.22769 
    29.06989     28.67980     23.83150     21.84819     19.74693     16.32902 
    14.02941     12.95408     12.00200      9.27748      7.49727      4.67496 
overlap for current and previous eigenvector    109 is         0.9999915557
overlap for current and previous eigenvector    110 is         0.9999918629
overlap for current and previous eigenvector    111 is         0.9999922688
overlap for current and previous eigenvector    112 is         0.9999996442
overlap for current and previous eigenvector    113 is         0.9999992672
overlap for current and previous eigenvector    114 is         0.9999990066
J1,K1,R1,R2,RAT=   7   7   -0.1109916593E-02     2.000946790        0.9988900834    
FOB,PFOB,DIAG,PSTEP=    0.3291888265E-06    0.3288238297E-06     715.3122733       -0.4597301965E-09
J1,K1,R1,R2,RAT=   8   8    0.4511046681         1.548831332        0.5488313325    
FOB,PFOB,DIAG,PSTEP=    0.1060189546E-07    0.1931547542E-07     669.2140680       -0.2886384858E-10
J1,K1,R1,R2,RAT=   9   9   -0.1872385404E-01     2.018626156        0.9812761460    
FOB,PFOB,DIAG,PSTEP=    0.3286185186E-06    0.3225783143E-06     621.5133459       -0.5190460910E-09
J1,K1,R1,R2,RAT=  10  10   -0.7410155840E-02     2.007320911        0.9925898442    
FOB,PFOB,DIAG,PSTEP=    0.9358415861E-06    0.9289575586E-06     601.8455954       -0.1543583637E-08
J1,K1,R1,R2,RAT=  11  11   -0.4382498760E-02     2.004355125        0.9956175012    
FOB,PFOB,DIAG,PSTEP=   -0.7766095627E-06   -0.7732208768E-06     589.3691950        0.1311964498E-08
J1,K1,R1,R2,RAT= 109 109   -0.1593876802E-01     2.016366780        0.9840612320    
FOB,PFOB,DIAG,PSTEP=   -0.3367881262E-04   -0.3315054679E-04     14.02940618        0.2362427423E-05
J1,K1,R1,R2,RAT= 110 110   -0.3720997880E-01     2.038024669        0.9627900212    
FOB,PFOB,DIAG,PSTEP=   -0.6614137781E-05   -0.6376948289E-05     12.95408395        0.4920727510E-06
J1,K1,R1,R2,RAT= 111 111   -0.2248187859E-01     2.023210100        0.9775181214    
FOB,PFOB,DIAG,PSTEP=    0.4025575903E-04    0.3937094832E-04     12.00200390       -0.3279170587E-05
J1,K1,R1,R2,RAT= 112 112   -0.1150115748E-01     2.011072378        0.9884988425    
FOB,PFOB,DIAG,PSTEP=   -0.2432025896E-04   -0.2404366963E-04     9.277478671        0.2592172540E-05
J1,K1,R1,R2,RAT= 113 113   -0.1693999345E-01     2.016441950        0.9830600065    
FOB,PFOB,DIAG,PSTEP=   -0.8181505147E-04   -0.8045185806E-04     7.497267643        0.1073349667E-04
J1,K1,R1,R2,RAT= 114 114    0.9995682082        -100.6856309        0.4317917759E-03
FOB,PFOB,DIAG,PSTEP=    0.9507487917E-01    0.9320570200E-01     4.674961548        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00001      0.00001     -0.00000      0.00000      0.00001 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00001 
     0.00000      0.00001      0.00000     -0.00001      0.00000      0.00001 
    -0.00001     -0.00000      0.00000      0.00001      0.00001      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00001      0.00000 
    -0.00000     -0.00001      0.00002     -0.00001      0.00002     -0.00000 
    -0.00001     -0.00001     -0.00001     -0.00002     -0.00004     -0.00002 
    -0.00001      0.00002      0.00000      0.00000     -0.00004      0.00006 
    -0.00003     -0.00001      0.00004     -0.00002     -0.00008      0.09507 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4323107911
 Log product of positive Hessian eigenvalues =          520.5148214206
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6749615477
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000000
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000032
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000080
 Unscaled step for mode   15=       -0.0000000027
 Unscaled step for mode   16=       -0.0000000009
 Unscaled step for mode   17=       -0.0000000007
 Unscaled step for mode   18=       -0.0000000043
 Unscaled step for mode   19=       -0.0000000077
 Unscaled step for mode   20=       -0.0000000126
 Unscaled step for mode   21=       -0.0000000053
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000038
 Unscaled step for mode   25=        0.0000000109
 Unscaled step for mode   26=       -0.0000000152
 Unscaled step for mode   27=       -0.0000000115
 Unscaled step for mode   28=       -0.0000000095
 Unscaled step for mode   29=        0.0000000072
 Unscaled step for mode   30=        0.0000000076
 Unscaled step for mode   31=        0.0000000012
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000068
 Unscaled step for mode   34=       -0.0000000031
 Unscaled step for mode   35=       -0.0000000205
 Unscaled step for mode   36=       -0.0000000022
 Unscaled step for mode   37=        0.0000000086
 Unscaled step for mode   38=        0.0000000058
 Unscaled step for mode   39=        0.0000000156
 Unscaled step for mode   40=       -0.0000000027
 Unscaled step for mode   41=       -0.0000000050
 Unscaled step for mode   42=        0.0000000027
 Unscaled step for mode   43=       -0.0000000031
 Unscaled step for mode   44=       -0.0000000012
 Unscaled step for mode   45=        0.0000000082
 Unscaled step for mode   46=        0.0000000057
 Unscaled step for mode   47=        0.0000000253
 Unscaled step for mode   48=        0.0000000055
 Unscaled step for mode   49=       -0.0000000124
 Unscaled step for mode   50=        0.0000000124
 Unscaled step for mode   51=        0.0000000115
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=        0.0000000146
 Unscaled step for mode   54=        0.0000000029
 Unscaled step for mode   55=       -0.0000000278
 Unscaled step for mode   56=        0.0000000109
 Unscaled step for mode   57=        0.0000000054
 Unscaled step for mode   58=        0.0000000247
 Unscaled step for mode   59=        0.0000000141
 Unscaled step for mode   60=        0.0000000239
 Unscaled step for mode   61=        0.0000000196
 Unscaled step for mode   62=       -0.0000000679
 Unscaled step for mode   63=       -0.0000000432
 Unscaled step for mode   64=        0.0000000062
 Unscaled step for mode   65=       -0.0000000104
 Unscaled step for mode   66=       -0.0000000468
 Unscaled step for mode   67=       -0.0000000047
 Unscaled step for mode   68=        0.0000000122
 Unscaled step for mode   69=       -0.0000000079
 Unscaled step for mode   70=        0.0000000134
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=        0.0000000620
 Unscaled step for mode   73=       -0.0000000124
 Unscaled step for mode   74=       -0.0000000845
 Unscaled step for mode   75=       -0.0000000400
 Unscaled step for mode   76=        0.0000000665
 Unscaled step for mode   77=       -0.0000000004
 Unscaled step for mode   78=       -0.0000001247
 Unscaled step for mode   79=        0.0000001668
 Unscaled step for mode   80=        0.0000000279
 Unscaled step for mode   81=       -0.0000000413
 Unscaled step for mode   82=       -0.0000000661
 Unscaled step for mode   83=       -0.0000000998
 Unscaled step for mode   84=       -0.0000000527
 Unscaled step for mode   85=        0.0000001330
 Unscaled step for mode   86=       -0.0000001670
 Unscaled step for mode   87=       -0.0000000744
 Unscaled step for mode   88=       -0.0000000131
 Unscaled step for mode   89=        0.0000001623
 Unscaled step for mode   90=       -0.0000000721
 Unscaled step for mode   91=        0.0000000229
 Unscaled step for mode   92=        0.0000001555
 Unscaled step for mode   93=       -0.0000002954
 Unscaled step for mode   94=        0.0000000989
 Unscaled step for mode   95=       -0.0000003202
 Unscaled step for mode   96=        0.0000000939
 Unscaled step for mode   97=        0.0000001775
 Unscaled step for mode   98=        0.0000001596
 Unscaled step for mode   99=        0.0000001809
 Unscaled step for mode  100=        0.0000004279
 Unscaled step for mode  101=        0.0000011040
 Unscaled step for mode  102=        0.0000005815
 Unscaled step for mode  103=        0.0000004402
 Unscaled step for mode  104=       -0.0000006739
 Unscaled step for mode  105=       -0.0000001616
 Unscaled step for mode  106=       -0.0000001666
 Unscaled step for mode  107=        0.0000017941
 Unscaled step for mode  108=       -0.0000034106
 Unscaled step for mode  109=        0.0000024006
 Unscaled step for mode  110=        0.0000005106
 Unscaled step for mode  111=       -0.0000033541
 Unscaled step for mode  112=        0.0000026214
 Unscaled step for mode  113=        0.0000109126
 Unscaled step for mode  114=        0.0203286355
 Largest modulus ratio of non-zero e/values=           153.0092314    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.187025E-15    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.703105E-16    0.100783E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.161828E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.575169E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.261405E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.154798E-14    0.973427E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329189E-06    0.715312E+03 -0.460203E-09 0.260475E-04    0.998890E+00
   8    0.106019E-07    0.669214E+03 -0.158423E-10 0.260475E-04    0.548831E+00
   9    0.328619E-06    0.621513E+03 -0.528739E-09 0.260475E-04    0.981276E+00
  10    0.935842E-06    0.601846E+03 -0.155495E-08 0.260475E-04    0.992590E+00
  11   -0.776610E-06    0.589369E+03  0.131770E-08 0.260475E-04    0.995618E+00
  12    0.182519E-05    0.562420E+03 -0.324524E-08 0.260475E-04    0.991849E+00
  13    0.195252E-05    0.558913E+03 -0.349343E-08 0.260475E-04    0.996589E+00
  14   -0.382709E-05    0.477121E+03  0.802122E-08 0.294432E-04    0.991989E+00
  15    0.126691E-05    0.471858E+03 -0.268494E-08 0.260475E-04    0.993488E+00
  16    0.397303E-06    0.464268E+03 -0.855762E-09 0.260475E-04    0.982650E+00
  17    0.292500E-06    0.441795E+03 -0.662071E-09 0.294432E-04    0.976668E+00
  18    0.186228E-05    0.432512E+03 -0.430572E-08 0.260475E-04    0.989926E+00
  19    0.323267E-05    0.419826E+03 -0.770003E-08 0.260475E-04    0.987744E+00
  20    0.510596E-05    0.404940E+03 -0.126092E-07 0.260475E-04    0.991237E+00
  21    0.213211E-05    0.398618E+03 -0.534875E-08 0.260475E-04    0.985734E+00
  22   -0.957524E-06    0.387982E+03  0.246796E-08 0.260475E-04    0.999688E+00
  23   -0.175965E-05    0.366949E+03  0.479535E-08 0.260475E-04    0.994793E+00
  24    0.139529E-05    0.364714E+03 -0.382572E-08 0.260475E-04    0.991750E+00
  25   -0.384183E-05    0.353458E+03  0.108693E-07 0.260475E-04    0.987091E+00
  26    0.527495E-05    0.346433E+03 -0.152265E-07 0.260475E-04    0.985812E+00
  27    0.372965E-05    0.325086E+03 -0.114728E-07 0.260475E-04    0.986934E+00
  28    0.308943E-05    0.323767E+03 -0.954216E-08 0.260475E-04    0.988664E+00
  29   -0.229819E-05    0.319084E+03  0.720247E-08 0.260475E-04    0.978786E+00
  30   -0.238719E-05    0.315253E+03  0.757231E-08 0.260475E-04    0.989069E+00
  31   -0.351845E-06    0.305425E+03  0.115199E-08 0.294432E-04    0.960780E+00
  32    0.441408E-06    0.287265E+03 -0.153659E-08 0.260475E-04    0.996209E+00
  33    0.189548E-05    0.280149E+03 -0.676597E-08 0.260475E-04    0.985989E+00
  34    0.855275E-06    0.272073E+03 -0.314355E-08 0.294432E-04    0.989589E+00
  35    0.545110E-05    0.265919E+03 -0.204991E-07 0.260475E-04    0.985100E+00
  36    0.569468E-06    0.261697E+03 -0.217605E-08 0.260475E-04    0.982489E+00
  37   -0.221467E-05    0.257706E+03  0.859381E-08 0.260475E-04    0.984628E+00
  38   -0.148036E-05    0.253379E+03  0.584247E-08 0.260475E-04    0.986852E+00
  39   -0.382565E-05    0.245157E+03  0.156049E-07 0.260475E-04    0.984494E+00
  40    0.646734E-06    0.240199E+03 -0.269249E-08 0.260475E-04    0.960267E+00
  41    0.117264E-05    0.233603E+03 -0.501979E-08 0.260475E-04    0.972748E+00
  42   -0.622249E-06    0.228301E+03  0.272557E-08 0.260475E-04    0.974538E+00
  43    0.689517E-06    0.225991E+03 -0.305108E-08 0.260475E-04    0.982783E+00
  44    0.252809E-06    0.213289E+03 -0.118529E-08 0.260475E-04    0.954635E+00
  45   -0.173545E-05    0.211302E+03  0.821316E-08 0.260475E-04    0.978786E+00
  46   -0.119472E-05    0.209975E+03  0.568984E-08 0.260475E-04    0.980163E+00
  47   -0.513004E-05    0.202796E+03  0.252965E-07 0.260475E-04    0.982851E+00
  48   -0.110349E-05    0.198940E+03  0.554685E-08 0.260475E-04    0.992469E+00
  49    0.241688E-05    0.195135E+03 -0.123857E-07 0.294432E-04    0.981021E+00
  50   -0.237884E-05    0.191763E+03  0.124051E-07 0.260475E-04    0.985174E+00
  51   -0.214799E-05    0.186561E+03  0.115136E-07 0.260475E-04    0.983765E+00
  52    0.376736E-06    0.179226E+03 -0.210202E-08 0.260475E-04    0.990056E+00
  53   -0.249290E-05    0.170714E+03  0.146027E-07 0.260475E-04    0.984311E+00
  54   -0.482807E-06    0.168113E+03  0.287191E-08 0.260475E-04    0.967657E+00
  55    0.460938E-05    0.165844E+03 -0.277934E-07 0.260475E-04    0.984423E+00
  56   -0.174851E-05    0.160759E+03  0.108766E-07 0.260475E-04    0.985883E+00
  57   -0.834106E-06    0.154196E+03  0.540939E-08 0.260475E-04    0.986460E+00
  58   -0.373296E-05    0.151088E+03  0.247072E-07 0.260475E-04    0.985718E+00
  59   -0.208712E-05    0.148098E+03  0.140929E-07 0.294432E-04    0.980796E+00
  60   -0.339837E-05    0.142218E+03  0.238955E-07 0.260475E-04    0.981365E+00
  61   -0.268291E-05    0.136855E+03  0.196041E-07 0.260475E-04    0.984243E+00
  62    0.913223E-05    0.134427E+03 -0.679343E-07 0.260475E-04    0.984938E+00
  63    0.566523E-05    0.131042E+03 -0.432321E-07 0.260475E-04    0.984881E+00
  64   -0.789950E-06    0.127731E+03  0.618449E-08 0.260475E-04    0.980437E+00
  65    0.130136E-05    0.125482E+03 -0.103709E-07 0.260475E-04    0.988988E+00
  66    0.580488E-05    0.124005E+03 -0.468116E-07 0.260475E-04    0.983824E+00
  67    0.561679E-06    0.119449E+03 -0.470224E-08 0.260475E-04    0.988046E+00
  68   -0.143908E-05    0.118056E+03  0.121897E-07 0.260475E-04    0.982554E+00
  69    0.920954E-06    0.116105E+03 -0.793210E-08 0.260475E-04    0.996207E+00
  70   -0.151287E-05    0.113077E+03  0.133792E-07 0.260475E-04    0.969302E+00
  71   -0.238768E-06    0.110615E+03  0.215854E-08 0.260475E-04    0.989803E+00
  72   -0.656621E-05    0.105846E+03  0.620355E-07 0.294432E-04    0.982780E+00
  73    0.127424E-05    0.102872E+03 -0.123867E-07 0.260475E-04    0.968567E+00
  74    0.851931E-05    0.100800E+03 -0.845167E-07 0.260475E-04    0.983156E+00
  75    0.388909E-05    0.971896E+02 -0.400155E-07 0.260475E-04    0.978252E+00
  76   -0.632038E-05    0.949856E+02  0.665403E-07 0.260475E-04    0.981896E+00
  77    0.321964E-07    0.917800E+02 -0.350799E-09 0.431007E-04    0.841562E+00
  78    0.112584E-04    0.902554E+02 -0.124739E-06 0.260475E-04    0.981004E+00
  79   -0.145835E-04    0.874051E+02  0.166850E-06 0.260475E-04    0.983845E+00
  80   -0.235284E-05    0.844213E+02  0.278702E-07 0.260475E-04    0.978551E+00
  81    0.334523E-05    0.809510E+02 -0.413241E-07 0.260475E-04    0.980440E+00
  82    0.522025E-05    0.789712E+02 -0.661033E-07 0.260475E-04    0.976430E+00
  83    0.785855E-05    0.787045E+02 -0.998489E-07 0.294432E-04    0.989724E+00
  84    0.385981E-05    0.732179E+02 -0.527168E-07 0.260475E-04    0.980749E+00
  85   -0.945723E-05    0.711161E+02  0.132983E-06 0.294432E-04    0.984094E+00
  86    0.116894E-04    0.699850E+02 -0.167026E-06 0.260475E-04    0.982028E+00
  87    0.501271E-05    0.674092E+02 -0.743625E-07 0.260475E-04    0.988982E+00
  88    0.836708E-06    0.638657E+02 -0.131010E-07 0.260475E-04    0.979928E+00
  89   -0.101395E-04    0.624693E+02  0.162312E-06 0.260475E-04    0.982914E+00
  90    0.430225E-05    0.596521E+02 -0.721223E-07 0.260475E-04    0.981209E+00
  91   -0.133385E-05    0.583614E+02  0.228550E-07 0.260475E-04    0.993786E+00
  92   -0.868497E-05    0.558647E+02  0.155464E-06 0.260475E-04    0.978143E+00
  93    0.158629E-04    0.536959E+02 -0.295421E-06 0.260475E-04    0.983442E+00
  94   -0.518795E-05    0.524351E+02  0.989403E-07 0.260475E-04    0.979535E+00
  95    0.160932E-04    0.502572E+02 -0.320217E-06 0.294432E-04    0.984508E+00
  96   -0.451167E-05    0.480674E+02  0.938614E-07 0.260475E-04    0.984968E+00
  97   -0.780166E-05    0.439585E+02  0.177478E-06 0.260475E-04    0.981481E+00
  98   -0.631915E-05    0.395924E+02  0.159605E-06 0.260475E-04    0.983783E+00
  99   -0.688248E-05    0.380376E+02  0.180939E-06 0.260475E-04    0.975932E+00
 100   -0.154075E-04    0.360067E+02  0.427907E-06 0.260475E-04    0.984336E+00
 101   -0.379481E-04    0.343729E+02  0.110401E-05 0.260475E-04    0.980741E+00
 102   -0.175769E-04    0.302277E+02  0.581482E-06 0.260475E-04    0.984807E+00
 103   -0.127960E-04    0.290699E+02  0.440182E-06 0.294432E-04    0.981955E+00
 104    0.193272E-04    0.286798E+02 -0.673896E-06 0.260475E-04    0.983903E+00
 105    0.385107E-05    0.238315E+02 -0.161596E-06 0.260475E-04    0.961732E+00
 106    0.363942E-05    0.218482E+02 -0.166578E-06 0.260475E-04    0.993581E+00
 107   -0.354279E-04    0.197469E+02  0.179410E-05 0.294432E-04    0.979984E+00
 108    0.556910E-04    0.163290E+02 -0.341055E-05 0.260475E-04    0.985717E+00
 109   -0.336788E-04    0.140294E+02  0.240059E-05 0.260475E-04    0.984061E+00
 110   -0.661414E-05    0.129541E+02  0.510583E-06 0.260475E-04    0.962790E+00
 111    0.402558E-04    0.120020E+02 -0.335409E-05 0.260475E-04    0.977518E+00
 112   -0.243203E-04    0.927748E+01  0.262143E-05 0.260475E-04    0.988499E+00
 113   -0.818151E-04    0.749727E+01  0.109126E-04 0.260475E-04    0.983060E+00
 114    0.950749E-01    0.467496E+01  0.400000E-03 0.400000E-03    0.431792E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2032863547E-01

 Beginning of optimization cycle   30.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4020839232
 potential> RMS force:                                               0.0090797735   |gradient|=.9694545185E-01
 Eigenvalues of the Hessian matrix:
   715.37063    669.23543    621.54358    601.87231    589.37713    562.44517 
   558.95001    477.13297    471.83662    464.25501    441.78986    432.49985 
   419.83315    404.95046    398.61472    387.98828    366.94769    364.70323 
   353.44571    346.39222    325.05242    323.77140    319.08141    315.27495 
   305.42470    287.26474    280.14653    272.06478    265.91528    261.70154 
   257.70310    253.37820    245.14088    240.18928    233.61045    228.30337 
   225.97347    213.27801    211.29528    209.97901    202.79711    198.93430 
   195.13756    191.75987    186.56218    179.21098    170.71250    168.11476 
   165.84278    160.75734    154.18817    151.08768    148.10446    142.22320 
   136.85550    134.43066    131.04208    127.73034    125.48520    124.01399 
   119.44837    118.05404    116.10880    113.07164    110.61110    105.84190 
   102.87030    100.79648     97.19108     94.98632     91.77308     90.25952 
    87.41491     84.42145     80.94932     78.97121     78.70633     73.21540 
    71.11920     69.97695     67.41302     63.85942     62.46795     59.65252 
    58.36428     55.86365     53.69611     52.43291     50.25819     48.06657 
    43.95435     39.59576     38.03018     36.00991     34.37670     30.21766 
    29.06866     28.68031     23.82572     21.84864     19.74230     16.33455 
    14.02642     12.94880     11.99758      9.27947      7.49911      4.67818 
overlap for current and previous eigenvector    109 is         0.9999915984
overlap for current and previous eigenvector    110 is         0.9999917862
overlap for current and previous eigenvector    111 is         0.9999921158
overlap for current and previous eigenvector    112 is         0.9999996448
overlap for current and previous eigenvector    113 is         0.9999992696
overlap for current and previous eigenvector    114 is         0.9999990112
J1,K1,R1,R2,RAT=   7   7   -0.8754736936E-03     2.000712335        0.9991245263    
FOB,PFOB,DIAG,PSTEP=    0.3294770462E-06    0.3291888265E-06     715.3706257       -0.4602029615E-09
J1,K1,R1,R2,RAT=   8   8    0.8313574068         1.168578763        0.1685787633    
FOB,PFOB,DIAG,PSTEP=    0.1787649837E-08    0.1060189546E-07     669.2354266       -0.1584230811E-10
J1,K1,R1,R2,RAT=   9   9   -0.1837756228E-01     2.018280290        0.9816224377    
FOB,PFOB,DIAG,PSTEP=    0.3346580196E-06    0.3286185186E-06     621.5435755       -0.5287392793E-09
J1,K1,R1,R2,RAT=  10  10   -0.7302490595E-02     2.007213726        0.9926975094    
FOB,PFOB,DIAG,PSTEP=    0.9426758638E-06    0.9358415861E-06     601.8723078       -0.1554952953E-08
J1,K1,R1,R2,RAT=  11  11   -0.4308108904E-02     2.004281184        0.9956918911    
FOB,PFOB,DIAG,PSTEP=   -0.7799553263E-06   -0.7766095627E-06     589.3771293        0.1317696224E-08
J1,K1,R1,R2,RAT= 109 109   -0.1556805407E-01     2.015994036        0.9844319459    
FOB,PFOB,DIAG,PSTEP=   -0.3420301454E-04   -0.3367881262E-04     14.02641869        0.2400587179E-05
J1,K1,R1,R2,RAT= 110 110   -0.3695498645E-01     2.037771772        0.9630450136    
FOB,PFOB,DIAG,PSTEP=   -0.6858463372E-05   -0.6614137781E-05     12.94879576        0.5105832111E-06
J1,K1,R1,R2,RAT= 111 111   -0.2206250104E-01     2.022799818        0.9779374990    
FOB,PFOB,DIAG,PSTEP=    0.4114357446E-04    0.4025575903E-04     11.99758089       -0.3354086482E-05
J1,K1,R1,R2,RAT= 112 112   -0.1105233690E-01     2.010623473        0.9889476631    
FOB,PFOB,DIAG,PSTEP=   -0.2458911230E-04   -0.2432025896E-04     9.279468487        0.2621429789E-05
J1,K1,R1,R2,RAT= 113 113   -0.1655837706E-01     2.016066059        0.9834416229    
FOB,PFOB,DIAG,PSTEP=   -0.8317010950E-04   -0.8181505147E-04     7.499113621        0.1091264916E-04
J1,K1,R1,R2,RAT= 114 114    0.9995715834        -102.6148336        0.4284165847E-03
FOB,PFOB,DIAG,PSTEP=    0.9694534913E-01    0.9507487917E-01     4.678179109        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00001 
     0.00000      0.00001      0.00000     -0.00001      0.00000      0.00001 
    -0.00001     -0.00000      0.00000      0.00001      0.00001      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00001      0.00000 
    -0.00000     -0.00001      0.00002     -0.00001      0.00002      0.00000 
     0.00001      0.00001      0.00001      0.00002     -0.00004      0.00002 
     0.00001      0.00002      0.00000      0.00000     -0.00004      0.00006 
    -0.00003     -0.00001      0.00004     -0.00002     -0.00008      0.09695 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4324055358
 Log product of positive Hessian eigenvalues =          520.5141417234
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6781791094
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=       -0.0000000000
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000033
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000081
 Unscaled step for mode   15=       -0.0000000027
 Unscaled step for mode   16=       -0.0000000009
 Unscaled step for mode   17=       -0.0000000007
 Unscaled step for mode   18=       -0.0000000043
 Unscaled step for mode   19=       -0.0000000078
 Unscaled step for mode   20=       -0.0000000127
 Unscaled step for mode   21=       -0.0000000054
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000039
 Unscaled step for mode   25=        0.0000000110
 Unscaled step for mode   26=       -0.0000000154
 Unscaled step for mode   27=       -0.0000000116
 Unscaled step for mode   28=       -0.0000000096
 Unscaled step for mode   29=        0.0000000074
 Unscaled step for mode   30=        0.0000000077
 Unscaled step for mode   31=        0.0000000012
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000069
 Unscaled step for mode   34=       -0.0000000032
 Unscaled step for mode   35=       -0.0000000208
 Unscaled step for mode   36=       -0.0000000022
 Unscaled step for mode   37=        0.0000000087
 Unscaled step for mode   38=        0.0000000059
 Unscaled step for mode   39=        0.0000000158
 Unscaled step for mode   40=       -0.0000000028
 Unscaled step for mode   41=       -0.0000000052
 Unscaled step for mode   42=        0.0000000028
 Unscaled step for mode   43=       -0.0000000031
 Unscaled step for mode   44=       -0.0000000011
 Unscaled step for mode   45=        0.0000000084
 Unscaled step for mode   46=        0.0000000058
 Unscaled step for mode   47=        0.0000000257
 Unscaled step for mode   48=        0.0000000056
 Unscaled step for mode   49=       -0.0000000126
 Unscaled step for mode   50=        0.0000000126
 Unscaled step for mode   51=        0.0000000117
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=        0.0000000148
 Unscaled step for mode   54=        0.0000000030
 Unscaled step for mode   55=       -0.0000000282
 Unscaled step for mode   56=        0.0000000110
 Unscaled step for mode   57=        0.0000000055
 Unscaled step for mode   58=        0.0000000251
 Unscaled step for mode   59=        0.0000000144
 Unscaled step for mode   60=        0.0000000243
 Unscaled step for mode   61=       -0.0000000199
 Unscaled step for mode   62=        0.0000000689
 Unscaled step for mode   63=        0.0000000439
 Unscaled step for mode   64=       -0.0000000063
 Unscaled step for mode   65=        0.0000000105
 Unscaled step for mode   66=        0.0000000476
 Unscaled step for mode   67=       -0.0000000048
 Unscaled step for mode   68=        0.0000000124
 Unscaled step for mode   69=        0.0000000080
 Unscaled step for mode   70=       -0.0000000138
 Unscaled step for mode   71=       -0.0000000022
 Unscaled step for mode   72=        0.0000000631
 Unscaled step for mode   73=       -0.0000000128
 Unscaled step for mode   74=       -0.0000000859
 Unscaled step for mode   75=       -0.0000000409
 Unscaled step for mode   76=        0.0000000677
 Unscaled step for mode   77=       -0.0000000004
 Unscaled step for mode   78=       -0.0000001271
 Unscaled step for mode   79=        0.0000001695
 Unscaled step for mode   80=        0.0000000285
 Unscaled step for mode   81=       -0.0000000421
 Unscaled step for mode   82=       -0.0000000677
 Unscaled step for mode   83=       -0.0000001008
 Unscaled step for mode   84=       -0.0000000537
 Unscaled step for mode   85=        0.0000001351
 Unscaled step for mode   86=       -0.0000001700
 Unscaled step for mode   87=       -0.0000000752
 Unscaled step for mode   88=       -0.0000000134
 Unscaled step for mode   89=        0.0000001650
 Unscaled step for mode   90=       -0.0000000735
 Unscaled step for mode   91=        0.0000000230
 Unscaled step for mode   92=        0.0000001588
 Unscaled step for mode   93=       -0.0000003002
 Unscaled step for mode   94=        0.0000001009
 Unscaled step for mode   95=       -0.0000003251
 Unscaled step for mode   96=       -0.0000000952
 Unscaled step for mode   97=       -0.0000001807
 Unscaled step for mode   98=       -0.0000001621
 Unscaled step for mode   99=       -0.0000001853
 Unscaled step for mode  100=       -0.0000004344
 Unscaled step for mode  101=        0.0000011247
 Unscaled step for mode  102=       -0.0000005903
 Unscaled step for mode  103=       -0.0000004480
 Unscaled step for mode  104=       -0.0000006845
 Unscaled step for mode  105=       -0.0000001677
 Unscaled step for mode  106=       -0.0000001676
 Unscaled step for mode  107=        0.0000018298
 Unscaled step for mode  108=       -0.0000034568
 Unscaled step for mode  109=        0.0000024385
 Unscaled step for mode  110=        0.0000005297
 Unscaled step for mode  111=       -0.0000034293
 Unscaled step for mode  112=        0.0000026498
 Unscaled step for mode  113=        0.0000110907
 Unscaled step for mode  114=        0.0207139895
 Largest modulus ratio of non-zero e/values=           152.9164679    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.389229E-16    0.101874E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.998008E-16    0.100783E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.405763E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.544486E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.759524E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.527187E-15    0.973428E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329477E-06    0.715371E+03 -0.460568E-09 0.234662E-04    0.999125E+00
   8    0.178765E-08    0.669235E+03 -0.267118E-11 0.283918E-04    0.168579E+00
   9    0.334658E-06    0.621544E+03 -0.538431E-09 0.234662E-04    0.981622E+00
  10    0.942676E-06    0.601872E+03 -0.156624E-08 0.234662E-04    0.992698E+00
  11   -0.779955E-06    0.589377E+03  0.132336E-08 0.234662E-04    0.995692E+00
  12    0.183992E-05    0.562445E+03 -0.327128E-08 0.234662E-04    0.991932E+00
  13    0.195895E-05    0.558950E+03 -0.350470E-08 0.234662E-04    0.996709E+00
  14   -0.385730E-05    0.477133E+03  0.808434E-08 0.265254E-04    0.992105E+00
  15    0.127506E-05    0.471837E+03 -0.270233E-08 0.234662E-04    0.993569E+00
  16    0.404169E-06    0.464255E+03 -0.870576E-09 0.234662E-04    0.982718E+00
  17    0.299250E-06    0.441790E+03 -0.677359E-09 0.265254E-04    0.976920E+00
  18    0.188083E-05    0.432500E+03 -0.434874E-08 0.234662E-04    0.990038E+00
  19    0.327191E-05    0.419833E+03 -0.779335E-08 0.234662E-04    0.987863E+00
  20    0.515007E-05    0.404950E+03 -0.127178E-07 0.234662E-04    0.991362E+00
  21    0.216215E-05    0.398615E+03 -0.542417E-08 0.234662E-04    0.985907E+00
  22   -0.957031E-06    0.387988E+03  0.246665E-08 0.234662E-04    0.999451E+00
  23   -0.176857E-05    0.366948E+03  0.481969E-08 0.234662E-04    0.994928E+00
  24    0.140660E-05    0.364703E+03 -0.385682E-08 0.234662E-04    0.991900E+00
  25   -0.389091E-05    0.353446E+03  0.110085E-07 0.234662E-04    0.987223E+00
  26    0.534907E-05    0.346392E+03 -0.154422E-07 0.234662E-04    0.985947E+00
  27    0.377778E-05    0.325052E+03 -0.116221E-07 0.234662E-04    0.987093E+00
  28    0.312387E-05    0.323771E+03 -0.964839E-08 0.234662E-04    0.988853E+00
  29   -0.234650E-05    0.319081E+03  0.735394E-08 0.234662E-04    0.978979E+00
  30   -0.241308E-05    0.315275E+03  0.765388E-08 0.234662E-04    0.989158E+00
  31   -0.365341E-06    0.305425E+03  0.119617E-08 0.265254E-04    0.961643E+00
  32    0.439555E-06    0.287265E+03 -0.153014E-08 0.234662E-04    0.995801E+00
  33    0.192172E-05    0.280147E+03 -0.685970E-08 0.234662E-04    0.986155E+00
  34    0.864110E-06    0.272065E+03 -0.317612E-08 0.265254E-04    0.989670E+00
  35    0.553135E-05    0.265915E+03 -0.208012E-07 0.234662E-04    0.985277E+00
  36    0.579423E-06    0.261702E+03 -0.221406E-08 0.234662E-04    0.982519E+00
  37   -0.224834E-05    0.257703E+03  0.872455E-08 0.234662E-04    0.984796E+00
  38   -0.149956E-05    0.253378E+03  0.591828E-08 0.234662E-04    0.987028E+00
  39   -0.388428E-05    0.245141E+03  0.158451E-07 0.234662E-04    0.984673E+00
  40    0.671946E-06    0.240189E+03 -0.279757E-08 0.234662E-04    0.961016E+00
  41    0.120420E-05    0.233610E+03 -0.515473E-08 0.234662E-04    0.973088E+00
  42   -0.637887E-06    0.228303E+03  0.279403E-08 0.234662E-04    0.974869E+00
  43    0.701284E-06    0.225973E+03 -0.310339E-08 0.234662E-04    0.982933E+00
  44    0.240242E-06    0.213278E+03 -0.112643E-08 0.234662E-04    0.950288E+00
  45   -0.177159E-05    0.211295E+03  0.838441E-08 0.234662E-04    0.979180E+00
  46   -0.121858E-05    0.209979E+03  0.580335E-08 0.234662E-04    0.980032E+00
  47   -0.521695E-05    0.202797E+03  0.257250E-07 0.234662E-04    0.983059E+00
  48   -0.111147E-05    0.198934E+03  0.558712E-08 0.234662E-04    0.992768E+00
  49    0.246223E-05    0.195138E+03 -0.126179E-07 0.265254E-04    0.981234E+00
  50   -0.241360E-05    0.191760E+03  0.125866E-07 0.234662E-04    0.985387E+00
  51   -0.218239E-05    0.186562E+03  0.116979E-07 0.234662E-04    0.983985E+00
  52    0.380378E-06    0.179211E+03 -0.212252E-08 0.234662E-04    0.990332E+00
  53   -0.253142E-05    0.170713E+03  0.148285E-07 0.234662E-04    0.984548E+00
  54   -0.498228E-06    0.168115E+03  0.296362E-08 0.234662E-04    0.968059E+00
  55    0.468015E-05    0.165843E+03 -0.282204E-07 0.234662E-04    0.984646E+00
  56   -0.177282E-05    0.160757E+03  0.110279E-07 0.234662E-04    0.986095E+00
  57   -0.845219E-06    0.154188E+03  0.548174E-08 0.234662E-04    0.986676E+00
  58   -0.378548E-05    0.151088E+03  0.250549E-07 0.234662E-04    0.985932E+00
  59   -0.212662E-05    0.148104E+03  0.143589E-07 0.265254E-04    0.981079E+00
  60   -0.346075E-05    0.142223E+03  0.243333E-07 0.234662E-04    0.981642E+00
  61    0.272459E-05    0.136855E+03 -0.199085E-07 0.234662E-04    0.984462E+00
  62   -0.926757E-05    0.134431E+03  0.689394E-07 0.234662E-04    0.985180E+00
  63   -0.574954E-05    0.131042E+03  0.438755E-07 0.234662E-04    0.985117E+00
  64    0.805253E-06    0.127730E+03 -0.630432E-08 0.234662E-04    0.980628E+00
  65   -0.131525E-05    0.125485E+03  0.104813E-07 0.234662E-04    0.989332E+00
  66   -0.589738E-05    0.124014E+03  0.475541E-07 0.234662E-04    0.984067E+00
  67    0.568292E-06    0.119448E+03 -0.475763E-08 0.234662E-04    0.988227E+00
  68   -0.146382E-05    0.118054E+03  0.123996E-07 0.234662E-04    0.982802E+00
  69   -0.924105E-06    0.116109E+03  0.795896E-08 0.234662E-04    0.996579E+00
  70    0.155852E-05    0.113072E+03 -0.137835E-07 0.234662E-04    0.969829E+00
  71    0.241091E-06    0.110611E+03 -0.217963E-08 0.234662E-04    0.990268E+00
  72   -0.667761E-05    0.105842E+03  0.630904E-07 0.265254E-04    0.983033E+00
  73    0.131373E-05    0.102870E+03 -0.127707E-07 0.234662E-04    0.969011E+00
  74    0.866046E-05    0.100796E+03 -0.859202E-07 0.234662E-04    0.983431E+00
  75    0.397258E-05    0.971911E+02 -0.408739E-07 0.234662E-04    0.978532E+00
  76   -0.643309E-05    0.949863E+02  0.677265E-07 0.234662E-04    0.982166E+00
  77    0.366974E-07    0.917731E+02 -0.399871E-09 0.388295E-04    0.860189E+00
  78    0.114691E-04    0.902595E+02 -0.127068E-06 0.234662E-04    0.981287E+00
  79   -0.148147E-04    0.874149E+02  0.169476E-06 0.234662E-04    0.984149E+00
  80   -0.240264E-05    0.844215E+02  0.284600E-07 0.234662E-04    0.978836E+00
  81    0.340962E-05    0.809493E+02 -0.421204E-07 0.234662E-04    0.980753E+00
  82    0.534242E-05    0.789712E+02 -0.676502E-07 0.234662E-04    0.976598E+00
  83    0.793561E-05    0.787063E+02 -0.100825E-06 0.265254E-04    0.990195E+00
  84    0.393299E-05    0.732154E+02 -0.537181E-07 0.234662E-04    0.981039E+00
  85   -0.960510E-05    0.711192E+02  0.135056E-06 0.265254E-04    0.984365E+00
  86    0.118956E-04    0.699769E+02 -0.169993E-06 0.234662E-04    0.982355E+00
  87    0.506617E-05    0.674130E+02 -0.751512E-07 0.234662E-04    0.989336E+00
  88    0.852815E-06    0.638594E+02 -0.133546E-07 0.234662E-04    0.980748E+00
  89   -0.103098E-04    0.624679E+02  0.165041E-06 0.234662E-04    0.983210E+00
  90    0.438172E-05    0.596525E+02 -0.734540E-07 0.234662E-04    0.981528E+00
  91   -0.134163E-05    0.583643E+02  0.229872E-07 0.234662E-04    0.994166E+00
  92   -0.887194E-05    0.558637E+02  0.158814E-06 0.234662E-04    0.978472E+00
  93    0.161202E-04    0.536961E+02 -0.300212E-06 0.234662E-04    0.983776E+00
  94   -0.529248E-05    0.524329E+02  0.100938E-06 0.234662E-04    0.979850E+00
  95    0.163372E-04    0.502582E+02 -0.325065E-06 0.265254E-04    0.984841E+00
  96    0.457806E-05    0.480666E+02 -0.952441E-07 0.234662E-04    0.985286E+00
  97    0.794347E-05    0.439544E+02 -0.180721E-06 0.234662E-04    0.981822E+00
  98    0.641967E-05    0.395958E+02 -0.162130E-06 0.234662E-04    0.984094E+00
  99    0.704567E-05    0.380302E+02 -0.185265E-06 0.234662E-04    0.976284E+00
 100    0.156440E-04    0.360099E+02 -0.434437E-06 0.234662E-04    0.984651E+00
 101   -0.386647E-04    0.343767E+02  0.112473E-05 0.234662E-04    0.981118E+00
 102    0.178380E-04    0.302177E+02 -0.590316E-06 0.234662E-04    0.985141E+00
 103    0.130225E-04    0.290687E+02 -0.447990E-06 0.265254E-04    0.982303E+00
 104    0.196314E-04    0.286803E+02 -0.684489E-06 0.234662E-04    0.984263E+00
 105    0.399499E-05    0.238257E+02 -0.167675E-06 0.234662E-04    0.962621E+00
 106    0.366080E-05    0.218486E+02 -0.167553E-06 0.234662E-04    0.994125E+00
 107   -0.361236E-04    0.197423E+02  0.182976E-05 0.265254E-04    0.980360E+00
 108    0.564649E-04    0.163346E+02 -0.345677E-05 0.234662E-04    0.986109E+00
 109   -0.342030E-04    0.140264E+02  0.243847E-05 0.234662E-04    0.984432E+00
 110   -0.685846E-05    0.129488E+02  0.529660E-06 0.234662E-04    0.963045E+00
 111    0.411436E-04    0.119976E+02 -0.342932E-05 0.234662E-04    0.977937E+00
 112   -0.245891E-04    0.927947E+01  0.264984E-05 0.234662E-04    0.988948E+00
 113   -0.831701E-04    0.749911E+01  0.110907E-04 0.234662E-04    0.983442E+00
 114    0.969453E-01    0.467818E+01  0.400000E-03 0.400000E-03    0.428417E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2071398948E-01

 Beginning of optimization cycle   31.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4020447716
 potential> RMS force:                                               0.0092550787   |gradient|=.9881719991E-01
 Eigenvalues of the Hessian matrix:
   715.42899    669.25673    621.57367    601.89888    589.38493    562.47019 
   558.98689    477.14536    471.81523    464.24177    441.78499    432.48807 
   419.84029    404.96054    398.61150    387.99486    366.94665    364.69237 
   353.43384    346.35189    325.01852    323.77593    319.07861    315.29670 
   305.42459    287.26483    280.14443    272.05651    265.91206    261.70581 
   257.70066    253.37721    245.12448    240.17954    233.61786    228.30600 
   225.95558    213.26757    211.28890    209.98299    202.79810    198.92900 
   195.14015    191.75726    186.56277    179.19630    170.71063    168.11624 
   165.84136    160.75597    154.18047    151.08708    148.11101    142.22863 
   136.85644    134.43399    131.04197    127.72985    125.48840    124.02281 
   119.44740    118.05189    116.11288    113.06663    110.60673    105.83787 
   102.86893    100.79262     97.19253     94.98700     91.76613     90.26368 
    87.42476     84.42161     80.94764     78.97126     78.70817     73.21291 
    71.12232     69.96884     67.41687     63.85313     62.46652     59.65294 
    58.36712     55.86261     53.69633     52.43071     50.25915     48.06576 
    43.95023     39.59914     38.02269     36.01313     34.38054     30.20764 
    29.06743     28.68082     23.81996     21.84910     19.73773     16.34005 
    14.02345     12.94350     11.99310      9.28146      7.50094      4.68136 
overlap for current and previous eigenvector    109 is         0.9999916427
overlap for current and previous eigenvector    110 is         0.9999917089
overlap for current and previous eigenvector    111 is         0.9999919617
overlap for current and previous eigenvector    112 is         0.9999996453
overlap for current and previous eigenvector    113 is         0.9999992719
overlap for current and previous eigenvector    114 is         0.9999990157
J1,K1,R1,R2,RAT=   7   7   -0.6382822569E-03     2.000475131        0.9993617177    
FOB,PFOB,DIAG,PSTEP=    0.3296873627E-06    0.3294770462E-06     715.4289873       -0.4605683185E-09
J1,K1,R1,R2,RAT=   8   8     4.986523052        -2.986586712         1.986586712    
FOB,PFOB,DIAG,PSTEP=   -0.7126791029E-08    0.1787649837E-08     669.2567291       -0.2671182316E-11
J1,K1,R1,R2,RAT=   9   9   -0.1804072368E-01     2.017943875        0.9819592763    
FOB,PFOB,DIAG,PSTEP=    0.3406957849E-06    0.3346580196E-06     621.5736747       -0.5384305024E-09
J1,K1,R1,R2,RAT=  10  10   -0.7196513046E-02     2.007108228        0.9928034870    
FOB,PFOB,DIAG,PSTEP=    0.9494601424E-06    0.9426758638E-06     601.8988771       -0.1566238971E-08
J1,K1,R1,R2,RAT=  11  11   -0.4235357137E-02     2.004208880        0.9957646429    
FOB,PFOB,DIAG,PSTEP=   -0.7832587594E-06   -0.7799553263E-06     589.3849320        0.1323355263E-08
J1,K1,R1,R2,RAT= 109 109   -0.1521104653E-01     2.015634957        0.9847889535    
FOB,PFOB,DIAG,PSTEP=   -0.3472316794E-04   -0.3420301454E-04     14.02344634        0.2438470953E-05
J1,K1,R1,R2,RAT= 110 110   -0.3670137777E-01     2.037520130        0.9632986222    
FOB,PFOB,DIAG,PSTEP=   -0.7110075424E-05   -0.6858463372E-05     12.94349700        0.5296603252E-06
J1,K1,R1,R2,RAT= 111 111   -0.2165675749E-01     2.022403304        0.9783432425    
FOB,PFOB,DIAG,PSTEP=    0.4203427840E-04    0.4114357446E-04     11.99310418       -0.3429322531E-05
J1,K1,R1,R2,RAT= 112 112   -0.1061712876E-01     2.010188191        0.9893828712    
FOB,PFOB,DIAG,PSTEP=   -0.2485023408E-04   -0.2458911230E-04     9.281459070        0.2649840595E-05
J1,K1,R1,R2,RAT= 113 113   -0.1619041969E-01     2.015703780        0.9838095803    
FOB,PFOB,DIAG,PSTEP=   -0.8451699620E-04   -0.8317010950E-04     7.500938747        0.1109065867E-04
J1,K1,R1,R2,RAT= 114 114    0.9995749574        -104.5436544        0.4250426430E-03
FOB,PFOB,DIAG,PSTEP=    0.9881709581E-01    0.9694534913E-01     4.681356464        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00001 
     0.00000      0.00001     -0.00000     -0.00001      0.00000      0.00001 
    -0.00002     -0.00000     -0.00000     -0.00001      0.00001      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00001      0.00000 
    -0.00000      0.00001     -0.00002     -0.00001     -0.00002     -0.00000 
    -0.00001      0.00001      0.00001      0.00002     -0.00004     -0.00002 
    -0.00001      0.00002      0.00000      0.00000     -0.00004      0.00006 
    -0.00003     -0.00001      0.00004     -0.00002     -0.00008      0.09882 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4325000766
 Log product of positive Hessian eigenvalues =          520.5134468893
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6813564642
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000000
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000033
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000081
 Unscaled step for mode   15=       -0.0000000027
 Unscaled step for mode   16=       -0.0000000009
 Unscaled step for mode   17=       -0.0000000007
 Unscaled step for mode   18=       -0.0000000044
 Unscaled step for mode   19=       -0.0000000079
 Unscaled step for mode   20=       -0.0000000128
 Unscaled step for mode   21=       -0.0000000055
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000039
 Unscaled step for mode   25=        0.0000000111
 Unscaled step for mode   26=       -0.0000000157
 Unscaled step for mode   27=       -0.0000000118
 Unscaled step for mode   28=       -0.0000000098
 Unscaled step for mode   29=        0.0000000075
 Unscaled step for mode   30=        0.0000000077
 Unscaled step for mode   31=        0.0000000012
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000070
 Unscaled step for mode   34=       -0.0000000032
 Unscaled step for mode   35=       -0.0000000211
 Unscaled step for mode   36=       -0.0000000023
 Unscaled step for mode   37=        0.0000000089
 Unscaled step for mode   38=        0.0000000060
 Unscaled step for mode   39=        0.0000000161
 Unscaled step for mode   40=       -0.0000000029
 Unscaled step for mode   41=       -0.0000000053
 Unscaled step for mode   42=        0.0000000029
 Unscaled step for mode   43=       -0.0000000032
 Unscaled step for mode   44=       -0.0000000011
 Unscaled step for mode   45=        0.0000000086
 Unscaled step for mode   46=        0.0000000059
 Unscaled step for mode   47=        0.0000000262
 Unscaled step for mode   48=        0.0000000056
 Unscaled step for mode   49=       -0.0000000129
 Unscaled step for mode   50=        0.0000000128
 Unscaled step for mode   51=        0.0000000119
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=        0.0000000151
 Unscaled step for mode   54=        0.0000000031
 Unscaled step for mode   55=       -0.0000000286
 Unscaled step for mode   56=        0.0000000112
 Unscaled step for mode   57=        0.0000000056
 Unscaled step for mode   58=        0.0000000254
 Unscaled step for mode   59=        0.0000000146
 Unscaled step for mode   60=        0.0000000248
 Unscaled step for mode   61=       -0.0000000202
 Unscaled step for mode   62=        0.0000000699
 Unscaled step for mode   63=       -0.0000000445
 Unscaled step for mode   64=       -0.0000000064
 Unscaled step for mode   65=        0.0000000106
 Unscaled step for mode   66=        0.0000000483
 Unscaled step for mode   67=       -0.0000000048
 Unscaled step for mode   68=       -0.0000000126
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=        0.0000000142
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=       -0.0000000641
 Unscaled step for mode   73=       -0.0000000132
 Unscaled step for mode   74=       -0.0000000873
 Unscaled step for mode   75=        0.0000000417
 Unscaled step for mode   76=        0.0000000689
 Unscaled step for mode   77=       -0.0000000005
 Unscaled step for mode   78=       -0.0000001294
 Unscaled step for mode   79=        0.0000001721
 Unscaled step for mode   80=        0.0000000291
 Unscaled step for mode   81=        0.0000000429
 Unscaled step for mode   82=        0.0000000692
 Unscaled step for mode   83=       -0.0000001018
 Unscaled step for mode   84=       -0.0000000547
 Unscaled step for mode   85=        0.0000001371
 Unscaled step for mode   86=       -0.0000001730
 Unscaled step for mode   87=       -0.0000000759
 Unscaled step for mode   88=       -0.0000000136
 Unscaled step for mode   89=        0.0000001678
 Unscaled step for mode   90=       -0.0000000748
 Unscaled step for mode   91=        0.0000000231
 Unscaled step for mode   92=       -0.0000001622
 Unscaled step for mode   93=        0.0000003050
 Unscaled step for mode   94=        0.0000001029
 Unscaled step for mode   95=        0.0000003299
 Unscaled step for mode   96=        0.0000000966
 Unscaled step for mode   97=        0.0000001840
 Unscaled step for mode   98=       -0.0000001646
 Unscaled step for mode   99=       -0.0000001896
 Unscaled step for mode  100=       -0.0000004409
 Unscaled step for mode  101=        0.0000011454
 Unscaled step for mode  102=        0.0000005991
 Unscaled step for mode  103=        0.0000004558
 Unscaled step for mode  104=       -0.0000006950
 Unscaled step for mode  105=       -0.0000001738
 Unscaled step for mode  106=       -0.0000001684
 Unscaled step for mode  107=        0.0000018655
 Unscaled step for mode  108=       -0.0000035023
 Unscaled step for mode  109=        0.0000024761
 Unscaled step for mode  110=        0.0000005493
 Unscaled step for mode  111=       -0.0000035049
 Unscaled step for mode  112=        0.0000026774
 Unscaled step for mode  113=        0.0000112675
 Unscaled step for mode  114=        0.0210992488
 Largest modulus ratio of non-zero e/values=           152.8251465    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.202204E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.684891E-15    0.100782E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.106546E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.388361E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.794649E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.677057E-15    0.973429E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329687E-06    0.715429E+03 -0.460825E-09 0.211407E-04    0.999362E+00
   8   -0.712679E-08    0.669257E+03  0.106488E-10 0.255782E-04    0.198659E+01
   9    0.340696E-06    0.621574E+03 -0.548118E-09 0.211407E-04    0.981959E+00
  10    0.949460E-06    0.601899E+03 -0.157744E-08 0.211407E-04    0.992803E+00
  11   -0.783259E-06    0.589385E+03  0.132894E-08 0.211407E-04    0.995765E+00
  12    0.185461E-05    0.562470E+03 -0.329726E-08 0.211407E-04    0.992013E+00
  13    0.196517E-05    0.558987E+03 -0.351559E-08 0.211407E-04    0.996828E+00
  14   -0.388732E-05    0.477145E+03  0.814704E-08 0.238968E-04    0.992218E+00
  15    0.128315E-05    0.471815E+03 -0.271961E-08 0.211407E-04    0.993649E+00
  16    0.411127E-06    0.464242E+03 -0.885588E-09 0.211407E-04    0.982785E+00
  17    0.306083E-06    0.441785E+03 -0.692832E-09 0.238968E-04    0.977168E+00
  18    0.189936E-05    0.432488E+03 -0.439170E-08 0.211407E-04    0.990147E+00
  19    0.331123E-05    0.419840E+03 -0.788689E-08 0.211407E-04    0.987980E+00
  20    0.519393E-05    0.404961E+03 -0.128258E-07 0.211407E-04    0.991483E+00
  21    0.219226E-05    0.398612E+03 -0.549974E-08 0.211407E-04    0.986076E+00
  22   -0.956311E-06    0.387995E+03  0.246475E-08 0.211407E-04    0.999214E+00
  23   -0.177731E-05    0.366947E+03  0.484351E-08 0.211407E-04    0.995061E+00
  24    0.141778E-05    0.364692E+03 -0.388761E-08 0.211407E-04    0.992048E+00
  25   -0.394012E-05    0.353434E+03  0.111481E-07 0.211407E-04    0.987353E+00
  26    0.542353E-05    0.346352E+03 -0.156590E-07 0.211407E-04    0.986079E+00
  27    0.382596E-05    0.325019E+03 -0.117715E-07 0.211407E-04    0.987246E+00
  28    0.315810E-05    0.323776E+03 -0.975396E-08 0.211407E-04    0.989044E+00
  29   -0.239539E-05    0.319079E+03  0.750720E-08 0.211407E-04    0.979168E+00
  30   -0.243904E-05    0.315297E+03  0.773568E-08 0.211407E-04    0.989243E+00
  31   -0.379054E-06    0.305425E+03  0.124107E-08 0.238968E-04    0.962464E+00
  32    0.437528E-06    0.287265E+03 -0.152308E-08 0.211407E-04    0.995388E+00
  33    0.194802E-05    0.280144E+03 -0.695361E-08 0.211407E-04    0.986317E+00
  34    0.872970E-06    0.272057E+03 -0.320878E-08 0.238968E-04    0.989747E+00
  35    0.561183E-05    0.265912E+03 -0.211041E-07 0.211407E-04    0.985450E+00
  36    0.589535E-06    0.261706E+03 -0.225266E-08 0.211407E-04    0.982548E+00
  37   -0.228216E-05    0.257701E+03  0.885585E-08 0.211407E-04    0.984960E+00
  38   -0.151876E-05    0.253377E+03  0.599405E-08 0.211407E-04    0.987200E+00
  39   -0.394313E-05    0.245124E+03  0.160862E-07 0.211407E-04    0.984848E+00
  40    0.697657E-06    0.240180E+03 -0.290473E-08 0.211407E-04    0.961734E+00
  41    0.123621E-05    0.233618E+03 -0.529158E-08 0.211407E-04    0.973419E+00
  42   -0.653711E-06    0.228306E+03  0.286331E-08 0.211407E-04    0.975192E+00
  43    0.713149E-06    0.225956E+03 -0.315615E-08 0.211407E-04    0.983079E+00
  44    0.227116E-06    0.213268E+03 -0.106493E-08 0.211407E-04    0.945359E+00
  45   -0.180778E-05    0.211289E+03  0.855596E-08 0.211407E-04    0.979570E+00
  46   -0.124308E-05    0.209983E+03  0.591990E-08 0.211407E-04    0.979897E+00
  47   -0.530427E-05    0.202798E+03  0.261554E-07 0.211407E-04    0.983262E+00
  48   -0.111918E-05    0.198929E+03  0.562603E-08 0.211407E-04    0.993061E+00
  49    0.250793E-05    0.195140E+03 -0.128519E-07 0.238968E-04    0.981441E+00
  50   -0.244837E-05    0.191757E+03  0.127681E-07 0.211407E-04    0.985595E+00
  51   -0.221687E-05    0.186563E+03  0.118827E-07 0.211407E-04    0.984200E+00
  52    0.383952E-06    0.179196E+03 -0.214263E-08 0.211407E-04    0.990603E+00
  53   -0.256994E-05    0.170711E+03  0.150544E-07 0.211407E-04    0.984780E+00
  54   -0.513946E-06    0.168116E+03  0.305709E-08 0.211407E-04    0.968453E+00
  55    0.475100E-05    0.165841E+03 -0.286479E-07 0.211407E-04    0.984862E+00
  56   -0.179711E-05    0.160756E+03  0.111791E-07 0.211407E-04    0.986301E+00
  57   -0.856305E-06    0.154180E+03  0.555391E-08 0.211407E-04    0.986884E+00
  58   -0.383795E-05    0.151087E+03  0.254022E-07 0.211407E-04    0.986139E+00
  59   -0.216627E-05    0.148111E+03  0.146260E-07 0.238968E-04    0.981355E+00
  60   -0.352335E-05    0.142229E+03  0.247725E-07 0.211407E-04    0.981912E+00
  61    0.276635E-05    0.136856E+03 -0.202135E-07 0.211407E-04    0.984675E+00
  62   -0.940275E-05    0.134434E+03  0.699432E-07 0.211407E-04    0.985415E+00
  63    0.583379E-05    0.131042E+03 -0.445185E-07 0.211407E-04    0.985347E+00
  64    0.820704E-06    0.127730E+03 -0.642531E-08 0.211407E-04    0.980812E+00
  65   -0.132883E-05    0.125488E+03  0.105893E-07 0.211407E-04    0.989671E+00
  66   -0.598995E-05    0.124023E+03  0.482972E-07 0.211407E-04    0.984304E+00
  67    0.574884E-06    0.119447E+03 -0.481286E-08 0.211407E-04    0.988400E+00
  68    0.148865E-05    0.118052E+03 -0.126101E-07 0.211407E-04    0.983043E+00
  69    0.926929E-06    0.116113E+03 -0.798300E-08 0.211407E-04    0.996945E+00
  70   -0.160474E-05    0.113067E+03  0.141929E-07 0.211407E-04    0.970339E+00
  71   -0.243327E-06    0.110607E+03  0.219993E-08 0.211407E-04    0.990728E+00
  72    0.678927E-05    0.105838E+03 -0.641478E-07 0.238968E-04    0.983278E+00
  73    0.135387E-05    0.102869E+03 -0.131611E-07 0.211407E-04    0.969443E+00
  74    0.880164E-05    0.100793E+03 -0.873242E-07 0.211407E-04    0.983698E+00
  75   -0.405679E-05    0.971925E+02  0.417397E-07 0.211407E-04    0.978803E+00
  76   -0.654614E-05    0.949870E+02  0.689161E-07 0.211407E-04    0.982428E+00
  77    0.412959E-07    0.917661E+02 -0.450012E-09 0.349815E-04    0.874683E+00
  78    0.116806E-04    0.902637E+02 -0.129405E-06 0.211407E-04    0.981561E+00
  79   -0.150452E-04    0.874248E+02  0.172093E-06 0.211407E-04    0.984444E+00
  80   -0.245282E-05    0.844216E+02  0.290544E-07 0.211407E-04    0.979112E+00
  81   -0.347421E-05    0.809476E+02  0.429192E-07 0.211407E-04    0.981057E+00
  82   -0.546655E-05    0.789713E+02  0.692220E-07 0.211407E-04    0.976765E+00
  83    0.800971E-05    0.787082E+02 -0.101765E-06 0.238968E-04    0.990663E+00
  84    0.400646E-05    0.732129E+02 -0.547234E-07 0.211407E-04    0.981320E+00
  85   -0.975276E-05    0.711223E+02  0.137127E-06 0.238968E-04    0.984628E+00
  86    0.121017E-04    0.699688E+02 -0.172958E-06 0.211407E-04    0.982672E+00
  87    0.511846E-05    0.674169E+02 -0.759225E-07 0.211407E-04    0.989681E+00
  88    0.868544E-06    0.638531E+02 -0.136022E-07 0.211407E-04    0.981554E+00
  89   -0.104799E-04    0.624665E+02  0.167769E-06 0.211407E-04    0.983496E+00
  90    0.446130E-05    0.596529E+02 -0.747876E-07 0.211407E-04    0.981837E+00
  91   -0.134896E-05    0.583671E+02  0.231117E-07 0.211407E-04    0.994537E+00
  92    0.906011E-05    0.558626E+02 -0.162186E-06 0.211407E-04    0.978790E+00
  93   -0.163765E-04    0.536963E+02  0.304984E-06 0.211407E-04    0.984100E+00
  94   -0.539752E-05    0.524307E+02  0.102946E-06 0.211407E-04    0.980154E+00
  95   -0.165796E-04    0.502591E+02  0.329882E-06 0.238968E-04    0.985162E+00
  96   -0.464401E-05    0.480658E+02  0.966178E-07 0.211407E-04    0.985593E+00
  97   -0.808524E-05    0.439502E+02  0.183964E-06 0.211407E-04    0.982151E+00
  98    0.651987E-05    0.395991E+02 -0.164647E-06 0.211407E-04    0.984394E+00
  99    0.721034E-05    0.380227E+02 -0.189633E-06 0.211407E-04    0.976624E+00
 100    0.158794E-04    0.360131E+02 -0.440934E-06 0.211407E-04    0.984955E+00
 101   -0.393807E-04    0.343805E+02  0.114544E-05 0.211407E-04    0.981483E+00
 102   -0.180972E-04    0.302076E+02  0.599094E-06 0.211407E-04    0.985461E+00
 103   -0.132486E-04    0.290674E+02  0.455787E-06 0.238968E-04    0.982639E+00
 104    0.199335E-04    0.286808E+02 -0.695010E-06 0.211407E-04    0.984611E+00
 105    0.414087E-05    0.238200E+02 -0.173840E-06 0.211407E-04    0.963475E+00
 106    0.368035E-05    0.218491E+02 -0.168444E-06 0.211407E-04    0.994659E+00
 107   -0.368198E-04    0.197377E+02  0.186545E-05 0.238968E-04    0.980723E+00
 108    0.572281E-04    0.163401E+02 -0.350232E-05 0.211407E-04    0.986488E+00
 109   -0.347232E-04    0.140234E+02  0.247608E-05 0.211407E-04    0.984789E+00
 110   -0.711008E-05    0.129435E+02  0.549316E-06 0.211407E-04    0.963299E+00
 111    0.420343E-04    0.119931E+02 -0.350487E-05 0.211407E-04    0.978343E+00
 112   -0.248502E-04    0.928146E+01  0.267741E-05 0.211407E-04    0.989383E+00
 113   -0.845170E-04    0.750094E+01  0.112675E-04 0.211407E-04    0.983810E+00
 114    0.988171E-01    0.468136E+01  0.400000E-03 0.400000E-03    0.425043E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2109924876E-01

 Beginning of optimization cycle   32.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4020048710
 potential> RMS force:                                               0.0094305021   |gradient|=.1006902086    
 Eigenvalues of the Hessian matrix:
   715.48736    669.27798    621.60364    601.92530    589.39260    562.49518 
   559.02380    477.15781    471.79382    464.22855    441.78015    432.47632 
   419.84745    404.97064    398.60829    388.00140    366.94566    364.68151 
   353.42201    346.31155    324.98470    323.78048    319.07576    315.31841 
   305.42447    287.26494    280.14231    272.04827    265.90888    261.71014 
   257.69829    253.37627    245.10809    240.16980    233.62532    228.30865 
   225.93767    213.25723    211.28258    209.98686    202.79911    198.92371 
   195.14277    191.75466    186.56326    179.18161    170.70880    168.11769 
   165.83995    160.75457    154.17278    151.08649    148.11757    142.23405 
   136.85738    134.43734    131.04184    127.72935    125.49160    124.03161 
   119.44645    118.04975    116.11696    113.06156    110.60230    105.83385 
   102.86757    100.78876     97.19395     94.98768     91.75919     90.26786 
    87.43466     84.42179     80.94599     78.97134     78.70998     73.21041 
    71.12544     69.96072     67.42071     63.84687     62.46505     59.65334 
    58.36996     55.86158     53.69653     52.42852     50.26010     48.06495 
    43.94609     39.60252     38.01518     36.01632     34.38443     30.19763 
    29.06621     28.68132     23.81420     21.84957     19.73323     16.34551 
    14.02049     12.93819     11.98857      9.28345      7.50274      4.68449 
overlap for current and previous eigenvector    109 is         0.9999916886
overlap for current and previous eigenvector    110 is         0.9999916310
overlap for current and previous eigenvector    111 is         0.9999918064
overlap for current and previous eigenvector    112 is         0.9999996458
overlap for current and previous eigenvector    113 is         0.9999992743
overlap for current and previous eigenvector    114 is         0.9999990202
J1,K1,R1,R2,RAT=   7   7   -0.4000607092E-03     2.000236898        0.9995999393    
FOB,PFOB,DIAG,PSTEP=    0.3298192684E-06    0.3296873627E-06     715.4873578       -0.4608247200E-09
J1,K1,R1,R2,RAT=   8   8    -1.264729515         3.264666025        0.2647295151    
FOB,PFOB,DIAG,PSTEP=   -0.1614054013E-07   -0.7126791029E-08     669.2779752        0.1064881490E-10
J1,K1,R1,R2,RAT=   9   9   -0.1771287769E-01     2.017616452        0.9822871223    
FOB,PFOB,DIAG,PSTEP=    0.3467307786E-06    0.3406957849E-06     621.6036440       -0.5481181052E-09
J1,K1,R1,R2,RAT=  10  10   -0.7092068617E-02     2.007004261        0.9929079314    
FOB,PFOB,DIAG,PSTEP=    0.9561940745E-06    0.9494601424E-06     601.9253038       -0.1577441292E-08
J1,K1,R1,R2,RAT=  11  11   -0.4163380245E-02     2.004137349        0.9958366198    
FOB,PFOB,DIAG,PSTEP=   -0.7865198059E-06   -0.7832587594E-06     589.3926033        0.1328942626E-08
J1,K1,R1,R2,RAT= 109 109   -0.1486688815E-01     2.015288687        0.9851331118    
FOB,PFOB,DIAG,PSTEP=   -0.3523928454E-04   -0.3472316794E-04     14.02048943        0.2476079495E-05
J1,K1,R1,R2,RAT= 110 110   -0.3644876830E-01     2.037269356        0.9635512317    
FOB,PFOB,DIAG,PSTEP=   -0.7369122630E-05   -0.7110075424E-05     12.93818854        0.5493164191E-06
J1,K1,R1,R2,RAT= 111 111   -0.2126367639E-01     2.022019587        0.9787363236    
FOB,PFOB,DIAG,PSTEP=    0.4292774400E-04    0.4203427840E-04     11.98857304       -0.3504870612E-05
J1,K1,R1,R2,RAT= 112 112   -0.1019462212E-01     2.009765623        0.9898053779    
FOB,PFOB,DIAG,PSTEP=   -0.2510362717E-04   -0.2485023408E-04     9.283450367        0.2677405986E-05
J1,K1,R1,R2,RAT= 113 113   -0.1583530804E-01     2.015354303        0.9841646920    
FOB,PFOB,DIAG,PSTEP=   -0.8585567083E-04   -0.8451699620E-04     7.502743175        0.1126752251E-04
J1,K1,R1,R2,RAT= 114 114    0.9995783300        -106.4721256        0.4216699548E-03
FOB,PFOB,DIAG,PSTEP=    0.1006901031        0.9881709581E-01     4.684493661        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00001 
     0.00000      0.00001     -0.00000     -0.00001      0.00000      0.00001 
    -0.00002     -0.00000      0.00000     -0.00001      0.00001      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00001      0.00000 
    -0.00000      0.00001     -0.00002     -0.00001      0.00002      0.00000 
    -0.00001      0.00001     -0.00001      0.00002      0.00004     -0.00002 
    -0.00001     -0.00002     -0.00000      0.00000     -0.00004      0.00006 
    -0.00004     -0.00001      0.00004     -0.00003     -0.00009      0.10069 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4325944078
 Log product of positive Hessian eigenvalues =          520.5127369749
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6844936609
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000000
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000033
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000082
 Unscaled step for mode   15=       -0.0000000027
 Unscaled step for mode   16=       -0.0000000009
 Unscaled step for mode   17=       -0.0000000007
 Unscaled step for mode   18=       -0.0000000044
 Unscaled step for mode   19=       -0.0000000080
 Unscaled step for mode   20=       -0.0000000129
 Unscaled step for mode   21=       -0.0000000056
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000039
 Unscaled step for mode   25=        0.0000000113
 Unscaled step for mode   26=       -0.0000000159
 Unscaled step for mode   27=       -0.0000000119
 Unscaled step for mode   28=       -0.0000000099
 Unscaled step for mode   29=        0.0000000077
 Unscaled step for mode   30=        0.0000000078
 Unscaled step for mode   31=        0.0000000013
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000070
 Unscaled step for mode   34=       -0.0000000032
 Unscaled step for mode   35=       -0.0000000214
 Unscaled step for mode   36=       -0.0000000023
 Unscaled step for mode   37=        0.0000000090
 Unscaled step for mode   38=        0.0000000061
 Unscaled step for mode   39=        0.0000000163
 Unscaled step for mode   40=       -0.0000000030
 Unscaled step for mode   41=       -0.0000000054
 Unscaled step for mode   42=        0.0000000029
 Unscaled step for mode   43=       -0.0000000032
 Unscaled step for mode   44=       -0.0000000010
 Unscaled step for mode   45=        0.0000000087
 Unscaled step for mode   46=        0.0000000060
 Unscaled step for mode   47=        0.0000000266
 Unscaled step for mode   48=        0.0000000057
 Unscaled step for mode   49=       -0.0000000131
 Unscaled step for mode   50=        0.0000000129
 Unscaled step for mode   51=        0.0000000121
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=        0.0000000153
 Unscaled step for mode   54=        0.0000000032
 Unscaled step for mode   55=       -0.0000000291
 Unscaled step for mode   56=        0.0000000113
 Unscaled step for mode   57=        0.0000000056
 Unscaled step for mode   58=        0.0000000257
 Unscaled step for mode   59=        0.0000000149
 Unscaled step for mode   60=       -0.0000000252
 Unscaled step for mode   61=       -0.0000000205
 Unscaled step for mode   62=        0.0000000709
 Unscaled step for mode   63=       -0.0000000452
 Unscaled step for mode   64=       -0.0000000065
 Unscaled step for mode   65=        0.0000000107
 Unscaled step for mode   66=        0.0000000490
 Unscaled step for mode   67=       -0.0000000049
 Unscaled step for mode   68=       -0.0000000128
 Unscaled step for mode   69=        0.0000000080
 Unscaled step for mode   70=       -0.0000000146
 Unscaled step for mode   71=       -0.0000000022
 Unscaled step for mode   72=        0.0000000652
 Unscaled step for mode   73=       -0.0000000136
 Unscaled step for mode   74=       -0.0000000887
 Unscaled step for mode   75=        0.0000000426
 Unscaled step for mode   76=        0.0000000701
 Unscaled step for mode   77=       -0.0000000005
 Unscaled step for mode   78=       -0.0000001318
 Unscaled step for mode   79=        0.0000001747
 Unscaled step for mode   80=        0.0000000297
 Unscaled step for mode   81=       -0.0000000437
 Unscaled step for mode   82=        0.0000000708
 Unscaled step for mode   83=       -0.0000001027
 Unscaled step for mode   84=       -0.0000000557
 Unscaled step for mode   85=        0.0000001392
 Unscaled step for mode   86=       -0.0000001759
 Unscaled step for mode   87=       -0.0000000767
 Unscaled step for mode   88=       -0.0000000138
 Unscaled step for mode   89=        0.0000001705
 Unscaled step for mode   90=       -0.0000000761
 Unscaled step for mode   91=        0.0000000232
 Unscaled step for mode   92=       -0.0000001656
 Unscaled step for mode   93=        0.0000003097
 Unscaled step for mode   94=        0.0000001050
 Unscaled step for mode   95=       -0.0000003347
 Unscaled step for mode   96=       -0.0000000980
 Unscaled step for mode   97=        0.0000001872
 Unscaled step for mode   98=       -0.0000001672
 Unscaled step for mode   99=        0.0000001940
 Unscaled step for mode  100=       -0.0000004474
 Unscaled step for mode  101=       -0.0000011661
 Unscaled step for mode  102=        0.0000006078
 Unscaled step for mode  103=        0.0000004636
 Unscaled step for mode  104=        0.0000007055
 Unscaled step for mode  105=        0.0000001801
 Unscaled step for mode  106=       -0.0000001693
 Unscaled step for mode  107=        0.0000019012
 Unscaled step for mode  108=       -0.0000035472
 Unscaled step for mode  109=        0.0000025134
 Unscaled step for mode  110=        0.0000005696
 Unscaled step for mode  111=       -0.0000035807
 Unscaled step for mode  112=        0.0000027041
 Unscaled step for mode  113=        0.0000114432
 Unscaled step for mode  114=        0.0214844194
 Largest modulus ratio of non-zero e/values=           152.7352601    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.143332E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.455907E-16    0.100782E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.581132E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.404733E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.253621E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.122779E-15    0.973431E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329819E-06    0.715487E+03 -0.460971E-09 0.190457E-04    0.999600E+00
   8   -0.161405E-07    0.669278E+03  0.241163E-10 0.230434E-04    0.264730E+00
   9    0.346731E-06    0.621604E+03 -0.557800E-09 0.190457E-04    0.982287E+00
  10    0.956194E-06    0.601925E+03 -0.158856E-08 0.190457E-04    0.992908E+00
  11   -0.786520E-06    0.589393E+03  0.133446E-08 0.190457E-04    0.995837E+00
  12    0.186928E-05    0.562495E+03 -0.332319E-08 0.190457E-04    0.992093E+00
  13    0.197117E-05    0.559024E+03 -0.352609E-08 0.190457E-04    0.996947E+00
  14   -0.391714E-05    0.477158E+03  0.820931E-08 0.215286E-04    0.992330E+00
  15    0.129120E-05    0.471794E+03 -0.273680E-08 0.190457E-04    0.993727E+00
  16    0.418176E-06    0.464229E+03 -0.900798E-09 0.190457E-04    0.982853E+00
  17    0.312997E-06    0.441780E+03 -0.708490E-09 0.215286E-04    0.977411E+00
  18    0.191787E-05    0.432476E+03 -0.443462E-08 0.190457E-04    0.990254E+00
  19    0.335066E-05    0.419847E+03 -0.798065E-08 0.190457E-04    0.988095E+00
  20    0.523754E-05    0.404971E+03 -0.129331E-07 0.190457E-04    0.991603E+00
  21    0.222242E-05    0.398608E+03 -0.557545E-08 0.190457E-04    0.986242E+00
  22   -0.955364E-06    0.388001E+03  0.246227E-08 0.190457E-04    0.998976E+00
  23   -0.178586E-05    0.366946E+03  0.486681E-08 0.190457E-04    0.995191E+00
  24    0.142885E-05    0.364682E+03 -0.391807E-08 0.190457E-04    0.992193E+00
  25   -0.398945E-05    0.353422E+03  0.112881E-07 0.190457E-04    0.987480E+00
  26    0.549831E-05    0.346312E+03 -0.158768E-07 0.190457E-04    0.986209E+00
  27    0.387418E-05    0.324985E+03 -0.119211E-07 0.190457E-04    0.987394E+00
  28    0.319209E-05    0.323780E+03 -0.985880E-08 0.190457E-04    0.989237E+00
  29   -0.244484E-05    0.319076E+03  0.766226E-08 0.190457E-04    0.979354E+00
  30   -0.246508E-05    0.315318E+03  0.781774E-08 0.190457E-04    0.989324E+00
  31   -0.392985E-06    0.305424E+03  0.128668E-08 0.215286E-04    0.963248E+00
  32    0.435327E-06    0.287265E+03 -0.151542E-08 0.190457E-04    0.994969E+00
  33    0.197436E-05    0.280142E+03 -0.704771E-08 0.190457E-04    0.986475E+00
  34    0.881856E-06    0.272048E+03 -0.324154E-08 0.215286E-04    0.989821E+00
  35    0.569254E-05    0.265909E+03 -0.214079E-07 0.190457E-04    0.985619E+00
  36    0.599807E-06    0.261710E+03 -0.229188E-08 0.190457E-04    0.982575E+00
  37   -0.231612E-05    0.257698E+03  0.898770E-08 0.190457E-04    0.985120E+00
  38   -0.153794E-05    0.253376E+03  0.606979E-08 0.190457E-04    0.987368E+00
  39   -0.400219E-05    0.245108E+03  0.163283E-07 0.190457E-04    0.985020E+00
  40    0.723872E-06    0.240170E+03 -0.301400E-08 0.190457E-04    0.962424E+00
  41    0.126867E-05    0.233625E+03 -0.543036E-08 0.190457E-04    0.973741E+00
  42   -0.669722E-06    0.228309E+03  0.293341E-08 0.190457E-04    0.975508E+00
  43    0.725114E-06    0.225938E+03 -0.320935E-08 0.190457E-04    0.983221E+00
  44    0.213425E-06    0.213257E+03 -0.100079E-08 0.190457E-04    0.939716E+00
  45   -0.184402E-05    0.211283E+03  0.872772E-08 0.190457E-04    0.979955E+00
  46   -0.126824E-05    0.209987E+03  0.603960E-08 0.190457E-04    0.979761E+00
  47   -0.539200E-05    0.202799E+03  0.265879E-07 0.190457E-04    0.983461E+00
  48   -0.112662E-05    0.198924E+03  0.566359E-08 0.190457E-04    0.993351E+00
  49    0.255396E-05    0.195143E+03 -0.130877E-07 0.215286E-04    0.981644E+00
  50   -0.248314E-05    0.191755E+03  0.129496E-07 0.190457E-04    0.985799E+00
  51   -0.225143E-05    0.186563E+03  0.120679E-07 0.190457E-04    0.984408E+00
  52    0.387457E-06    0.179182E+03 -0.216237E-08 0.190457E-04    0.990870E+00
  53   -0.260848E-05    0.170709E+03  0.152803E-07 0.190457E-04    0.985006E+00
  54   -0.529962E-06    0.168118E+03  0.315233E-08 0.190457E-04    0.968837E+00
  55    0.482192E-05    0.165840E+03 -0.290757E-07 0.190457E-04    0.985073E+00
  56   -0.182137E-05    0.160755E+03  0.113301E-07 0.190457E-04    0.986501E+00
  57   -0.867363E-06    0.154173E+03  0.562591E-08 0.190457E-04    0.987086E+00
  58   -0.389038E-05    0.151086E+03  0.257493E-07 0.190457E-04    0.986340E+00
  59   -0.220607E-05    0.148118E+03  0.148941E-07 0.215286E-04    0.981625E+00
  60    0.358616E-05    0.142234E+03 -0.252131E-07 0.190457E-04    0.982175E+00
  61    0.280818E-05    0.136857E+03 -0.205190E-07 0.190457E-04    0.984881E+00
  62   -0.953775E-05    0.134437E+03  0.709457E-07 0.190457E-04    0.985643E+00
  63    0.591797E-05    0.131042E+03 -0.451610E-07 0.190457E-04    0.985569E+00
  64    0.836306E-06    0.127729E+03 -0.654749E-08 0.190457E-04    0.980989E+00
  65   -0.134212E-05    0.125492E+03  0.106949E-07 0.190457E-04    0.990003E+00
  66   -0.608260E-05    0.124032E+03  0.490407E-07 0.190457E-04    0.984533E+00
  67    0.581458E-06    0.119446E+03 -0.486794E-08 0.190457E-04    0.988565E+00
  68    0.151354E-05    0.118050E+03 -0.128212E-07 0.190457E-04    0.983276E+00
  69   -0.929426E-06    0.116117E+03  0.800422E-08 0.190457E-04    0.997306E+00
  70    0.165155E-05    0.113062E+03 -0.146075E-07 0.190457E-04    0.970833E+00
  71    0.245471E-06    0.110602E+03 -0.221941E-08 0.190457E-04    0.991185E+00
  72   -0.690118E-05    0.105834E+03  0.652077E-07 0.215286E-04    0.983516E+00
  73    0.139467E-05    0.102868E+03 -0.135579E-07 0.190457E-04    0.969865E+00
  74    0.894284E-05    0.100789E+03 -0.887285E-07 0.190457E-04    0.983957E+00
  75   -0.414171E-05    0.971940E+02  0.426129E-07 0.190457E-04    0.979066E+00
  76   -0.665950E-05    0.949877E+02  0.701091E-07 0.190457E-04    0.982682E+00
  77    0.459915E-07    0.917592E+02 -0.501220E-09 0.315149E-04    0.886284E+00
  78    0.118928E-04    0.902679E+02 -0.131751E-06 0.190457E-04    0.981827E+00
  79   -0.152749E-04    0.874347E+02  0.174701E-06 0.190457E-04    0.984731E+00
  80   -0.250340E-05    0.844218E+02  0.296535E-07 0.190457E-04    0.979381E+00
  81    0.353899E-05    0.809460E+02 -0.437204E-07 0.190457E-04    0.981352E+00
  82   -0.559265E-05    0.789713E+02  0.708187E-07 0.190457E-04    0.976932E+00
  83    0.808079E-05    0.787100E+02 -0.102665E-06 0.215286E-04    0.991126E+00
  84    0.408021E-05    0.732104E+02 -0.557327E-07 0.190457E-04    0.981591E+00
  85   -0.990022E-05    0.711254E+02  0.139194E-06 0.215286E-04    0.984881E+00
  86    0.123077E-04    0.699607E+02 -0.175922E-06 0.190457E-04    0.982979E+00
  87    0.516956E-05    0.674207E+02 -0.766761E-07 0.190457E-04    0.990017E+00
  88    0.883875E-06    0.638469E+02 -0.138437E-07 0.190457E-04    0.982346E+00
  89   -0.106500E-04    0.624650E+02  0.170495E-06 0.190457E-04    0.983772E+00
  90    0.454100E-05    0.596533E+02 -0.761231E-07 0.190457E-04    0.982137E+00
  91   -0.135584E-05    0.583700E+02  0.232284E-07 0.190457E-04    0.994899E+00
  92    0.924948E-05    0.558616E+02 -0.165579E-06 0.190457E-04    0.979098E+00
  93   -0.166318E-04    0.536965E+02  0.309737E-06 0.190457E-04    0.984413E+00
  94   -0.550305E-05    0.524285E+02  0.104963E-06 0.190457E-04    0.980448E+00
  95    0.168204E-04    0.502601E+02 -0.334668E-06 0.215286E-04    0.985473E+00
  96    0.470954E-05    0.480649E+02 -0.979827E-07 0.190457E-04    0.985890E+00
  97   -0.822697E-05    0.439461E+02  0.187206E-06 0.190457E-04    0.982469E+00
  98    0.661974E-05    0.396025E+02 -0.167155E-06 0.190457E-04    0.984683E+00
  99   -0.737650E-05    0.380152E+02  0.194041E-06 0.190457E-04    0.976952E+00
 100    0.161137E-04    0.360163E+02 -0.447400E-06 0.190457E-04    0.985248E+00
 101    0.400961E-04    0.343844E+02 -0.116611E-05 0.190457E-04    0.981836E+00
 102   -0.183547E-04    0.301976E+02  0.607818E-06 0.190457E-04    0.985770E+00
 103   -0.134743E-04    0.290662E+02  0.463571E-06 0.215286E-04    0.982963E+00
 104   -0.202335E-04    0.286813E+02  0.705460E-06 0.190457E-04    0.984948E+00
 105   -0.428869E-05    0.238142E+02  0.180089E-06 0.190457E-04    0.964296E+00
 106    0.369808E-05    0.218496E+02 -0.169252E-06 0.190457E-04    0.995184E+00
 107   -0.375165E-04    0.197332E+02  0.190118E-05 0.215286E-04    0.981074E+00
 108    0.579806E-04    0.163455E+02 -0.354719E-05 0.190457E-04    0.986855E+00
 109   -0.352393E-04    0.140205E+02  0.251341E-05 0.190457E-04    0.985133E+00
 110   -0.736912E-05    0.129382E+02  0.569564E-06 0.190457E-04    0.963551E+00
 111    0.429277E-04    0.119886E+02 -0.358072E-05 0.190457E-04    0.978736E+00
 112   -0.251036E-04    0.928345E+01  0.270413E-05 0.190457E-04    0.989805E+00
 113   -0.858557E-04    0.750274E+01  0.114432E-04 0.190457E-04    0.984165E+00
 114    0.100690E+00    0.468449E+01  0.400000E-03 0.400000E-03    0.421670E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2148441942E-01

 Beginning of optimization cycle   33.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4019642210
 potential> RMS force:                                               0.0096060420   |gradient|=.1025644619    
 Eigenvalues of the Hessian matrix:
   715.54574    669.29916    621.63348    601.95159    589.40014    562.52011 
   559.06074    477.17030    471.77239    464.21536    441.77535    432.46460 
   419.85465    404.98077    398.60507    388.00792    366.94471    364.67065 
   353.41022    346.27121    324.95095    323.78505    319.07285    315.34009 
   305.42432    287.26506    280.14015    272.04006    265.90573    261.71453 
   257.69601    253.37538    245.09171    240.16007    233.63284    228.31131 
   225.91976    213.24697    211.27634    209.99063    202.80014    198.91842 
   195.14542    191.75209    186.56366    179.16690    170.70701    168.11912 
   165.83854    160.75315    154.16512    151.08592    148.12414    142.23944 
   136.85832    134.44071    131.04170    127.72886    125.49481    124.04039 
   119.44552    118.04764    116.12105    113.05644    110.59781    105.82981 
   102.86624    100.78489     97.19534     94.98836     91.75226     90.27207 
    87.44459     84.42198     80.94436     78.97146     78.71174     73.20789 
    71.12854     69.95260     67.42455     63.84065     62.46352     59.65373 
    58.37281     55.86055     53.69669     52.42634     50.26104     48.06414 
    43.94195     39.60588     38.00765     36.01948     34.38837     30.18762 
    29.06498     28.68183     23.80845     21.85006     19.72878     16.35093 
    14.01755     12.93287     11.98399      9.28544      7.50453      4.68759 
overlap for current and previous eigenvector    109 is         0.9999917360
overlap for current and previous eigenvector    110 is         0.9999915527
overlap for current and previous eigenvector    111 is         0.9999916503
overlap for current and previous eigenvector    112 is         0.9999996463
overlap for current and previous eigenvector    113 is        -0.9999992765
overlap for current and previous eigenvector    114 is         0.9999990246
J1,K1,R1,R2,RAT=   7   7   -0.1598459691E-03     1.999996671        0.9998401540    
FOB,PFOB,DIAG,PSTEP=    0.3298719930E-06    0.3298192684E-06     715.5457373       -0.4609714831E-09
J1,K1,R1,R2,RAT=   8   8   -0.5645729080         2.564509589        0.4354270920    
FOB,PFOB,DIAG,PSTEP=   -0.2525334032E-07   -0.1614054013E-07     669.2991649        0.2411634736E-10
J1,K1,R1,R2,RAT=   9   9   -0.1739403417E-01     2.017298030        0.9826059658    
FOB,PFOB,DIAG,PSTEP=    0.3527621151E-06    0.3467307786E-06     621.6334837       -0.5578004279E-09
J1,K1,R1,R2,RAT=  10  10   -0.6988877282E-02     2.006901547        0.9930111227    
FOB,PFOB,DIAG,PSTEP=    0.9628770894E-06    0.9561940745E-06     601.9515882       -0.1588559359E-08
J1,K1,R1,R2,RAT=  11  11   -0.4092887454E-02     2.004067300        0.9959071125    
FOB,PFOB,DIAG,PSTEP=   -0.7897389841E-06   -0.7865198059E-06     589.4001440        0.1334458223E-08
J1,K1,R1,R2,RAT= 109 109   -0.1453501054E-01     2.014954659        0.9854649895    
FOB,PFOB,DIAG,PSTEP=   -0.3575138047E-04   -0.3523928454E-04     14.01754821        0.2513413296E-05
J1,K1,R1,R2,RAT= 110 110   -0.3619677725E-01     2.037019067        0.9638032227    
FOB,PFOB,DIAG,PSTEP=   -0.7635751497E-05   -0.7369122630E-05     12.93287126        0.5695637071E-06
J1,K1,R1,R2,RAT= 111 111   -0.2088277292E-01     2.021648183        0.9791172271    
FOB,PFOB,DIAG,PSTEP=    0.4382385138E-04    0.4292774400E-04     11.98398671       -0.3580721730E-05
J1,K1,R1,R2,RAT= 112 112   -0.9784260304E-02     2.009355210        0.9902157397    
FOB,PFOB,DIAG,PSTEP=   -0.2534930030E-04   -0.2510362717E-04     9.285442326        0.2704126826E-05
J1,K1,R1,R2,RAT= 113 113     2.015017032       -0.1549244636E-01    0.9845075536    
FOB,PFOB,DIAG,PSTEP=    0.8718610146E-04   -0.8585567083E-04     7.504527055        0.1144323733E-04
J1,K1,R1,R2,RAT= 114 114    0.9995817013        -108.4002791        0.4182986915E-03
FOB,PFOB,DIAG,PSTEP=    0.1025643551        0.1006901031         4.687590750        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000     -0.00001 
     0.00002      0.00000      0.00000     -0.00001     -0.00001      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00001     -0.00000 
     0.00000      0.00001     -0.00002      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00002     -0.00004      0.00002 
     0.00001      0.00002      0.00000      0.00000     -0.00004      0.00006 
    -0.00004     -0.00001      0.00004     -0.00003      0.00009      0.10256 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4326885236
 Log product of positive Hessian eigenvalues =          520.5120120369
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6875907505
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000000
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000033
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000083
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000009
 Unscaled step for mode   17=       -0.0000000007
 Unscaled step for mode   18=       -0.0000000045
 Unscaled step for mode   19=       -0.0000000081
 Unscaled step for mode   20=       -0.0000000130
 Unscaled step for mode   21=       -0.0000000057
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000039
 Unscaled step for mode   25=        0.0000000114
 Unscaled step for mode   26=       -0.0000000161
 Unscaled step for mode   27=       -0.0000000121
 Unscaled step for mode   28=       -0.0000000100
 Unscaled step for mode   29=        0.0000000078
 Unscaled step for mode   30=        0.0000000079
 Unscaled step for mode   31=        0.0000000013
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000071
 Unscaled step for mode   34=       -0.0000000033
 Unscaled step for mode   35=       -0.0000000217
 Unscaled step for mode   36=       -0.0000000023
 Unscaled step for mode   37=        0.0000000091
 Unscaled step for mode   38=        0.0000000061
 Unscaled step for mode   39=        0.0000000166
 Unscaled step for mode   40=       -0.0000000031
 Unscaled step for mode   41=       -0.0000000056
 Unscaled step for mode   42=        0.0000000030
 Unscaled step for mode   43=       -0.0000000033
 Unscaled step for mode   44=       -0.0000000009
 Unscaled step for mode   45=        0.0000000089
 Unscaled step for mode   46=        0.0000000062
 Unscaled step for mode   47=        0.0000000270
 Unscaled step for mode   48=        0.0000000057
 Unscaled step for mode   49=       -0.0000000133
 Unscaled step for mode   50=        0.0000000131
 Unscaled step for mode   51=        0.0000000123
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=        0.0000000155
 Unscaled step for mode   54=       -0.0000000032
 Unscaled step for mode   55=        0.0000000295
 Unscaled step for mode   56=       -0.0000000115
 Unscaled step for mode   57=        0.0000000057
 Unscaled step for mode   58=        0.0000000261
 Unscaled step for mode   59=        0.0000000152
 Unscaled step for mode   60=        0.0000000257
 Unscaled step for mode   61=       -0.0000000208
 Unscaled step for mode   62=        0.0000000719
 Unscaled step for mode   63=       -0.0000000458
 Unscaled step for mode   64=       -0.0000000067
 Unscaled step for mode   65=        0.0000000108
 Unscaled step for mode   66=        0.0000000498
 Unscaled step for mode   67=       -0.0000000049
 Unscaled step for mode   68=        0.0000000130
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=        0.0000000150
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=       -0.0000000663
 Unscaled step for mode   73=        0.0000000140
 Unscaled step for mode   74=        0.0000000901
 Unscaled step for mode   75=        0.0000000435
 Unscaled step for mode   76=       -0.0000000713
 Unscaled step for mode   77=        0.0000000006
 Unscaled step for mode   78=        0.0000001341
 Unscaled step for mode   79=       -0.0000001773
 Unscaled step for mode   80=       -0.0000000303
 Unscaled step for mode   81=       -0.0000000445
 Unscaled step for mode   82=        0.0000000724
 Unscaled step for mode   83=        0.0000001035
 Unscaled step for mode   84=       -0.0000000567
 Unscaled step for mode   85=        0.0000001413
 Unscaled step for mode   86=       -0.0000001789
 Unscaled step for mode   87=       -0.0000000774
 Unscaled step for mode   88=        0.0000000141
 Unscaled step for mode   89=        0.0000001732
 Unscaled step for mode   90=        0.0000000775
 Unscaled step for mode   91=       -0.0000000233
 Unscaled step for mode   92=       -0.0000001690
 Unscaled step for mode   93=        0.0000003145
 Unscaled step for mode   94=       -0.0000001070
 Unscaled step for mode   95=        0.0000003394
 Unscaled step for mode   96=        0.0000000993
 Unscaled step for mode   97=        0.0000001904
 Unscaled step for mode   98=       -0.0000001697
 Unscaled step for mode   99=        0.0000001985
 Unscaled step for mode  100=       -0.0000004538
 Unscaled step for mode  101=        0.0000011868
 Unscaled step for mode  102=       -0.0000006165
 Unscaled step for mode  103=       -0.0000004713
 Unscaled step for mode  104=       -0.0000007158
 Unscaled step for mode  105=       -0.0000001864
 Unscaled step for mode  106=       -0.0000001700
 Unscaled step for mode  107=        0.0000019369
 Unscaled step for mode  108=       -0.0000035914
 Unscaled step for mode  109=        0.0000025505
 Unscaled step for mode  110=        0.0000005904
 Unscaled step for mode  111=       -0.0000036569
 Unscaled step for mode  112=        0.0000027300
 Unscaled step for mode  113=       -0.0000116178
 Unscaled step for mode  114=        0.0218695075
 Largest modulus ratio of non-zero e/values=           152.6468020    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.648353E-16    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.254788E-15    0.100782E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.257606E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.199981E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.365878E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.609457E-16    0.973432E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329872E-06    0.715546E+03 -0.461008E-09 0.171583E-04    0.999840E+00
   8   -0.252533E-07    0.669299E+03  0.377310E-10 0.207598E-04    0.435427E+00
   9    0.352762E-06    0.621633E+03 -0.567476E-09 0.171583E-04    0.982606E+00
  10    0.962877E-06    0.601952E+03 -0.159959E-08 0.171583E-04    0.993011E+00
  11   -0.789739E-06    0.589400E+03  0.133990E-08 0.171583E-04    0.995907E+00
  12    0.188391E-05    0.562520E+03 -0.334905E-08 0.171583E-04    0.992172E+00
  13    0.197695E-05    0.559061E+03 -0.353620E-08 0.171583E-04    0.997065E+00
  14   -0.394675E-05    0.477170E+03  0.827115E-08 0.193952E-04    0.992441E+00
  15    0.129920E-05    0.471772E+03 -0.275388E-08 0.171583E-04    0.993804E+00
  16    0.425318E-06    0.464215E+03 -0.916208E-09 0.171583E-04    0.982921E+00
  17    0.319992E-06    0.441775E+03 -0.724332E-09 0.193952E-04    0.977650E+00
  18    0.193636E-05    0.432465E+03 -0.447749E-08 0.171583E-04    0.990360E+00
  19    0.339017E-05    0.419855E+03 -0.807462E-08 0.171583E-04    0.988208E+00
  20    0.528091E-05    0.404981E+03 -0.130399E-07 0.171583E-04    0.991721E+00
  21    0.225263E-05    0.398605E+03 -0.565129E-08 0.171583E-04    0.986405E+00
  22   -0.954189E-06    0.388008E+03  0.245920E-08 0.171583E-04    0.998737E+00
  23   -0.179421E-05    0.366945E+03  0.488960E-08 0.171583E-04    0.995319E+00
  24    0.143980E-05    0.364671E+03 -0.394822E-08 0.171583E-04    0.992336E+00
  25   -0.403890E-05    0.353410E+03  0.114284E-07 0.171583E-04    0.987604E+00
  26    0.557343E-05    0.346271E+03 -0.160956E-07 0.171583E-04    0.986336E+00
  27    0.392246E-05    0.324951E+03 -0.120709E-07 0.171583E-04    0.987536E+00
  28    0.322582E-05    0.323785E+03 -0.996283E-08 0.171583E-04    0.989434E+00
  29   -0.249487E-05    0.319073E+03  0.781914E-08 0.171583E-04    0.979536E+00
  30   -0.249120E-05    0.315340E+03  0.790006E-08 0.171583E-04    0.989401E+00
  31   -0.407133E-06    0.305424E+03  0.133301E-08 0.193952E-04    0.963998E+00
  32    0.432953E-06    0.287265E+03 -0.150716E-08 0.171583E-04    0.994545E+00
  33    0.200076E-05    0.280140E+03 -0.714200E-08 0.171583E-04    0.986630E+00
  34    0.890770E-06    0.272040E+03 -0.327441E-08 0.193952E-04    0.989891E+00
  35    0.577346E-05    0.265906E+03 -0.217124E-07 0.171583E-04    0.985784E+00
  36    0.610244E-06    0.261715E+03 -0.233171E-08 0.171583E-04    0.982601E+00
  37   -0.235022E-05    0.257696E+03  0.912011E-08 0.171583E-04    0.985277E+00
  38   -0.155711E-05    0.253375E+03  0.614549E-08 0.171583E-04    0.987533E+00
  39   -0.406147E-05    0.245092E+03  0.165712E-07 0.171583E-04    0.985188E+00
  40    0.750591E-06    0.240160E+03 -0.312538E-08 0.171583E-04    0.963087E+00
  41    0.130159E-05    0.233633E+03 -0.557108E-08 0.171583E-04    0.974056E+00
  42   -0.685920E-06    0.228311E+03  0.300432E-08 0.171583E-04    0.975815E+00
  43    0.737180E-06    0.225920E+03 -0.326302E-08 0.171583E-04    0.983358E+00
  44    0.199165E-06    0.213247E+03 -0.933965E-09 0.171583E-04    0.933183E+00
  45   -0.188028E-05    0.211276E+03  0.889960E-08 0.171583E-04    0.980336E+00
  46   -0.129408E-05    0.209991E+03  0.616256E-08 0.171583E-04    0.979623E+00
  47   -0.548013E-05    0.202800E+03  0.270223E-07 0.171583E-04    0.983654E+00
  48   -0.113379E-05    0.198918E+03  0.569978E-08 0.171583E-04    0.993637E+00
  49    0.260034E-05    0.195145E+03 -0.133251E-07 0.193952E-04    0.981842E+00
  50   -0.251791E-05    0.191752E+03  0.131311E-07 0.171583E-04    0.985997E+00
  51   -0.228608E-05    0.186564E+03  0.122536E-07 0.171583E-04    0.984612E+00
  52    0.390892E-06    0.179167E+03 -0.218172E-08 0.171583E-04    0.991133E+00
  53   -0.264701E-05    0.170707E+03  0.155062E-07 0.171583E-04    0.985227E+00
  54    0.546278E-06    0.168119E+03 -0.324935E-08 0.171583E-04    0.969214E+00
  55   -0.489290E-05    0.165839E+03  0.295040E-07 0.171583E-04    0.985279E+00
  56    0.184560E-05    0.160753E+03 -0.114810E-07 0.171583E-04    0.986696E+00
  57   -0.878394E-06    0.154165E+03  0.569775E-08 0.171583E-04    0.987281E+00
  58   -0.394276E-05    0.151086E+03  0.260961E-07 0.171583E-04    0.986535E+00
  59   -0.224603E-05    0.148124E+03  0.151632E-07 0.193952E-04    0.981888E+00
  60   -0.364917E-05    0.142239E+03  0.256551E-07 0.171583E-04    0.982431E+00
  61    0.285007E-05    0.136858E+03 -0.208250E-07 0.171583E-04    0.985080E+00
  62   -0.967257E-05    0.134441E+03  0.719467E-07 0.171583E-04    0.985865E+00
  63    0.600209E-05    0.131042E+03 -0.458029E-07 0.171583E-04    0.985786E+00
  64    0.852062E-06    0.127729E+03 -0.667087E-08 0.171583E-04    0.981160E+00
  65   -0.135510E-05    0.125495E+03  0.107980E-07 0.171583E-04    0.990330E+00
  66   -0.617533E-05    0.124040E+03  0.497849E-07 0.171583E-04    0.984756E+00
  67    0.588016E-06    0.119446E+03 -0.492288E-08 0.171583E-04    0.988722E+00
  68   -0.153851E-05    0.118048E+03  0.130330E-07 0.171583E-04    0.983503E+00
  69    0.931598E-06    0.116121E+03 -0.802265E-08 0.171583E-04    0.997663E+00
  70   -0.169892E-05    0.113056E+03  0.150272E-07 0.171583E-04    0.971312E+00
  71   -0.247524E-06    0.110598E+03  0.223805E-08 0.171583E-04    0.991638E+00
  72    0.701335E-05    0.105830E+03 -0.662700E-07 0.193952E-04    0.983746E+00
  73   -0.143613E-05    0.102866E+03  0.139611E-07 0.171583E-04    0.970275E+00
  74   -0.908405E-05    0.100785E+03  0.901331E-07 0.171583E-04    0.984208E+00
  75   -0.422736E-05    0.971953E+02  0.434934E-07 0.171583E-04    0.979322E+00
  76    0.677319E-05    0.949884E+02 -0.713054E-07 0.171583E-04    0.982929E+00
  77   -0.507844E-07    0.917523E+02  0.553495E-09 0.283918E-04    0.895781E+00
  78   -0.121059E-04    0.902721E+02  0.134105E-06 0.171583E-04    0.982085E+00
  79    0.155039E-04    0.874446E+02 -0.177300E-06 0.171583E-04    0.985011E+00
  80    0.255436E-05    0.844220E+02 -0.302571E-07 0.171583E-04    0.979642E+00
  81    0.360397E-05    0.809444E+02 -0.445240E-07 0.171583E-04    0.981639E+00
  82   -0.572072E-05    0.789715E+02  0.724403E-07 0.171583E-04    0.977101E+00
  83   -0.814879E-05    0.787117E+02  0.103527E-06 0.193952E-04    0.991585E+00
  84    0.415425E-05    0.732079E+02 -0.567459E-07 0.171583E-04    0.981854E+00
  85   -0.100475E-04    0.711285E+02  0.141258E-06 0.193952E-04    0.985127E+00
  86    0.125135E-04    0.699526E+02 -0.178885E-06 0.171583E-04    0.983276E+00
  87    0.521947E-05    0.674245E+02 -0.774120E-07 0.171583E-04    0.990345E+00
  88   -0.898788E-06    0.638406E+02  0.140786E-07 0.171583E-04    0.983126E+00
  89   -0.108200E-04    0.624635E+02  0.173221E-06 0.171583E-04    0.984039E+00
  90   -0.462080E-05    0.596537E+02  0.774603E-07 0.171583E-04    0.982427E+00
  91    0.136228E-05    0.583728E+02 -0.233375E-07 0.171583E-04    0.995254E+00
  92    0.944005E-05    0.558605E+02 -0.168993E-06 0.171583E-04    0.979397E+00
  93   -0.168860E-04    0.536967E+02  0.314470E-06 0.171583E-04    0.984717E+00
  94    0.560907E-05    0.524263E+02 -0.106990E-06 0.171583E-04    0.980732E+00
  95   -0.170597E-04    0.502610E+02  0.339422E-06 0.193952E-04    0.985775E+00
  96   -0.477464E-05    0.480641E+02  0.993389E-07 0.171583E-04    0.986177E+00
  97   -0.836866E-05    0.439419E+02  0.190448E-06 0.171583E-04    0.982777E+00
  98    0.671931E-05    0.396059E+02 -0.169654E-06 0.171583E-04    0.984961E+00
  99   -0.754415E-05    0.380076E+02  0.198490E-06 0.171583E-04    0.977268E+00
 100    0.163469E-04    0.360195E+02 -0.453834E-06 0.171583E-04    0.985530E+00
 101   -0.408108E-04    0.343884E+02  0.118676E-05 0.171583E-04    0.982177E+00
 102    0.186103E-04    0.301876E+02 -0.616489E-06 0.171583E-04    0.986067E+00
 103    0.136996E-04    0.290650E+02 -0.471343E-06 0.193952E-04    0.983276E+00
 104    0.205315E-04    0.286818E+02 -0.715837E-06 0.171583E-04    0.985273E+00
 105    0.443839E-05    0.238084E+02 -0.186421E-06 0.171583E-04    0.965086E+00
 106    0.371398E-05    0.218501E+02 -0.169976E-06 0.171583E-04    0.995701E+00
 107   -0.382136E-04    0.197288E+02  0.193695E-05 0.193952E-04    0.981414E+00
 108    0.587224E-04    0.163509E+02 -0.359138E-05 0.171583E-04    0.987210E+00
 109   -0.357514E-04    0.140175E+02  0.255047E-05 0.171583E-04    0.985465E+00
 110   -0.763575E-05    0.129329E+02  0.590414E-06 0.171583E-04    0.963803E+00
 111    0.438239E-04    0.119840E+02 -0.365687E-05 0.171583E-04    0.979117E+00
 112   -0.253493E-04    0.928544E+01  0.273000E-05 0.171583E-04    0.990216E+00
 113    0.871861E-04    0.750453E+01 -0.116178E-04 0.171583E-04    0.984508E+00
 114    0.102564E+00    0.468759E+01  0.400000E-03 0.400000E-03    0.418299E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2186950751E-01

 Beginning of optimization cycle   34.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4019228210
 potential> RMS force:                                               0.0097816970   |gradient|=.1044399439    
 Eigenvalues of the Hessian matrix:
   715.60413    669.32030    621.66319    601.97773    589.40755    562.54501 
   559.09772    477.18285    471.75095    464.20220    441.77057    432.45291 
   419.86186    404.99093    398.60185    388.01441    366.94380    364.65979 
   353.39847    346.23086    324.91727    323.78963    319.06988    315.36174 
   305.42416    287.26522    280.13798    272.03187    265.90263    261.71898 
   257.69380    253.37453    245.07534    240.15034    233.64041    228.31399 
   225.90185    213.23680    211.27018    209.99428    202.80120    198.91314 
   195.14810    191.74954    186.56396    179.15219    170.70526    168.12052 
   165.83714    160.75170    154.15749    151.08536    148.13072    142.24482 
   136.85925    134.44411    131.04155    127.72835    125.49802    124.04914 
   119.44460    118.04555    116.12513    113.05128    110.59326    105.82578 
   102.86492    100.78101     97.19671     94.98905     91.74534     90.27629 
    87.45456     84.42219     80.94276     78.97160     78.71347     73.20537 
    71.13164     69.94447     67.42838     63.83445     62.46195     59.65410 
    58.37567     55.85952     53.69682     52.42416     50.26197     48.06333 
    43.93779     39.60923     38.00009     36.02261     34.39237     30.17761 
    29.06376     28.68235     23.80270     21.85056     19.72440     16.35631 
    14.01462     12.92755     11.97934      9.28743      7.50629      4.69065 
overlap for current and previous eigenvector    109 is         0.9999917848
overlap for current and previous eigenvector    110 is         0.9999914739
overlap for current and previous eigenvector    111 is         0.9999914934
overlap for current and previous eigenvector    112 is         0.9999996468
overlap for current and previous eigenvector    113 is         0.9999992787
overlap for current and previous eigenvector    114 is         0.9999990291
J1,K1,R1,R2,RAT=   7   7    0.8289876254E-04     1.999753915        0.9997539147    
FOB,PFOB,DIAG,PSTEP=    0.3298446448E-06    0.3298719930E-06     715.6041258       -0.4610075580E-09
J1,K1,R1,R2,RAT=   8   8   -0.3647309770         2.364667829        0.6352690230    
FOB,PFOB,DIAG,PSTEP=   -0.3446430663E-07   -0.2525334032E-07     669.3202979        0.3773102021E-10
J1,K1,R1,R2,RAT=   9   9   -0.1708307025E-01     2.016987486        0.9829169298    
FOB,PFOB,DIAG,PSTEP=    0.3587886631E-06    0.3527621151E-06     621.6631942       -0.5674760520E-09
J1,K1,R1,R2,RAT=  10  10   -0.6887399127E-02     2.006800544        0.9931126009    
FOB,PFOB,DIAG,PSTEP=    0.9695090962E-06    0.9628770894E-06     601.9777307       -0.1599592240E-08
J1,K1,R1,R2,RAT=  11  11   -0.4023485060E-02     2.003998340        0.9959765149    
FOB,PFOB,DIAG,PSTEP=   -0.7929165271E-06   -0.7897389841E-06     589.4075544        0.1339902937E-08
J1,K1,R1,R2,RAT= 109 109   -0.1421473067E-01     2.014632191        0.9857852693    
FOB,PFOB,DIAG,PSTEP=   -0.3625947066E-04   -0.3575138047E-04     14.01462293        0.2550473160E-05
J1,K1,R1,R2,RAT= 110 110   -0.3594475210E-01     2.036768610        0.9640552479    
FOB,PFOB,DIAG,PSTEP=   -0.7910103678E-05   -0.7635751497E-05     12.92754603        0.5904142510E-06
J1,K1,R1,R2,RAT= 111 111   -0.2051322381E-01     2.021288268        0.9794867762    
FOB,PFOB,DIAG,PSTEP=    0.4472247162E-04    0.4382385138E-04     11.97934445       -0.3656867488E-05
J1,K1,R1,R2,RAT= 112 112   -0.9385175574E-02     2.008956086        0.9906148244    
FOB,PFOB,DIAG,PSTEP=   -0.2558725899E-04   -0.2534930030E-04     9.287434896        0.2730004604E-05
J1,K1,R1,R2,RAT= 113 113   -0.1516101002E-01     2.014691143        0.9848389900    
FOB,PFOB,DIAG,PSTEP=    0.8850824143E-04    0.8718610146E-04     7.506290534       -0.1161780094E-04
J1,K1,R1,R2,RAT= 114 114    0.9995850711        -110.3281467        0.4149288620E-03
FOB,PFOB,DIAG,PSTEP=    0.1044398357        0.1025643551         4.690647785        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00001     -0.00001     -0.00000      0.00000      0.00001 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000     -0.00001 
     0.00002      0.00000      0.00000     -0.00001     -0.00001      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00001     -0.00000 
     0.00000      0.00001     -0.00002      0.00001     -0.00002     -0.00000 
     0.00001      0.00001      0.00001      0.00002     -0.00004      0.00002 
     0.00001      0.00002      0.00000      0.00000     -0.00004      0.00006 
    -0.00004     -0.00001      0.00004     -0.00003      0.00009      0.10444 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4327824182
 Log product of positive Hessian eigenvalues =          520.5112721316
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6906477846
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=       -0.0000000034
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000083
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000009
 Unscaled step for mode   17=       -0.0000000007
 Unscaled step for mode   18=       -0.0000000045
 Unscaled step for mode   19=       -0.0000000082
 Unscaled step for mode   20=       -0.0000000131
 Unscaled step for mode   21=       -0.0000000057
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000040
 Unscaled step for mode   25=        0.0000000116
 Unscaled step for mode   26=       -0.0000000163
 Unscaled step for mode   27=       -0.0000000122
 Unscaled step for mode   28=       -0.0000000101
 Unscaled step for mode   29=        0.0000000080
 Unscaled step for mode   30=        0.0000000080
 Unscaled step for mode   31=        0.0000000014
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000072
 Unscaled step for mode   34=       -0.0000000033
 Unscaled step for mode   35=       -0.0000000220
 Unscaled step for mode   36=       -0.0000000024
 Unscaled step for mode   37=        0.0000000093
 Unscaled step for mode   38=        0.0000000062
 Unscaled step for mode   39=        0.0000000168
 Unscaled step for mode   40=       -0.0000000032
 Unscaled step for mode   41=       -0.0000000057
 Unscaled step for mode   42=        0.0000000031
 Unscaled step for mode   43=       -0.0000000033
 Unscaled step for mode   44=       -0.0000000009
 Unscaled step for mode   45=        0.0000000091
 Unscaled step for mode   46=        0.0000000063
 Unscaled step for mode   47=        0.0000000275
 Unscaled step for mode   48=        0.0000000057
 Unscaled step for mode   49=       -0.0000000136
 Unscaled step for mode   50=        0.0000000133
 Unscaled step for mode   51=        0.0000000124
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=        0.0000000157
 Unscaled step for mode   54=       -0.0000000033
 Unscaled step for mode   55=        0.0000000299
 Unscaled step for mode   56=       -0.0000000116
 Unscaled step for mode   57=        0.0000000058
 Unscaled step for mode   58=        0.0000000264
 Unscaled step for mode   59=        0.0000000154
 Unscaled step for mode   60=        0.0000000261
 Unscaled step for mode   61=        0.0000000211
 Unscaled step for mode   62=        0.0000000729
 Unscaled step for mode   63=        0.0000000464
 Unscaled step for mode   64=        0.0000000068
 Unscaled step for mode   65=       -0.0000000109
 Unscaled step for mode   66=       -0.0000000505
 Unscaled step for mode   67=       -0.0000000050
 Unscaled step for mode   68=       -0.0000000132
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=        0.0000000155
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=       -0.0000000673
 Unscaled step for mode   73=        0.0000000144
 Unscaled step for mode   74=        0.0000000915
 Unscaled step for mode   75=        0.0000000444
 Unscaled step for mode   76=       -0.0000000725
 Unscaled step for mode   77=        0.0000000006
 Unscaled step for mode   78=        0.0000001365
 Unscaled step for mode   79=       -0.0000001799
 Unscaled step for mode   80=       -0.0000000309
 Unscaled step for mode   81=       -0.0000000453
 Unscaled step for mode   82=        0.0000000741
 Unscaled step for mode   83=        0.0000001043
 Unscaled step for mode   84=       -0.0000000578
 Unscaled step for mode   85=        0.0000001433
 Unscaled step for mode   86=       -0.0000001818
 Unscaled step for mode   87=       -0.0000000781
 Unscaled step for mode   88=        0.0000000143
 Unscaled step for mode   89=        0.0000001759
 Unscaled step for mode   90=        0.0000000788
 Unscaled step for mode   91=       -0.0000000234
 Unscaled step for mode   92=       -0.0000001724
 Unscaled step for mode   93=        0.0000003192
 Unscaled step for mode   94=       -0.0000001090
 Unscaled step for mode   95=        0.0000003441
 Unscaled step for mode   96=        0.0000001007
 Unscaled step for mode   97=       -0.0000001937
 Unscaled step for mode   98=       -0.0000001721
 Unscaled step for mode   99=       -0.0000002030
 Unscaled step for mode  100=       -0.0000004602
 Unscaled step for mode  101=        0.0000012074
 Unscaled step for mode  102=       -0.0000006251
 Unscaled step for mode  103=       -0.0000004791
 Unscaled step for mode  104=       -0.0000007261
 Unscaled step for mode  105=       -0.0000001928
 Unscaled step for mode  106=       -0.0000001706
 Unscaled step for mode  107=        0.0000019727
 Unscaled step for mode  108=       -0.0000036349
 Unscaled step for mode  109=        0.0000025873
 Unscaled step for mode  110=        0.0000006119
 Unscaled step for mode  111=       -0.0000037333
 Unscaled step for mode  112=        0.0000027550
 Unscaled step for mode  113=       -0.0000117912
 Unscaled step for mode  114=        0.0222545190
 Largest modulus ratio of non-zero e/values=           152.5597654    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.207408E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.306558E-15    0.100782E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.202746E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.409300E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.123792E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.167170E-16    0.973433E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329845E-06    0.715604E+03 -0.460932E-09 0.154579E-04    0.999754E+00
   8   -0.344643E-07    0.669320E+03  0.514915E-10 0.187025E-04    0.635269E+00
   9    0.358789E-06    0.621663E+03 -0.577143E-09 0.154579E-04    0.982917E+00
  10    0.969509E-06    0.601978E+03 -0.161054E-08 0.154579E-04    0.993113E+00
  11   -0.792917E-06    0.589408E+03  0.134528E-08 0.154579E-04    0.995977E+00
  12    0.189851E-05    0.562545E+03 -0.337486E-08 0.154579E-04    0.992249E+00
  13    0.198252E-05    0.559098E+03 -0.354593E-08 0.154579E-04    0.997182E+00
  14   -0.397615E-05    0.477183E+03  0.833255E-08 0.174731E-04    0.992550E+00
  15    0.130716E-05    0.471751E+03 -0.277086E-08 0.154579E-04    0.993879E+00
  16    0.432553E-06    0.464202E+03 -0.931819E-09 0.154579E-04    0.982990E+00
  17    0.327069E-06    0.441771E+03 -0.740359E-09 0.174731E-04    0.977884E+00
  18    0.195482E-05    0.432453E+03 -0.452031E-08 0.154579E-04    0.990464E+00
  19    0.342977E-05    0.419862E+03 -0.816880E-08 0.154579E-04    0.988319E+00
  20    0.532402E-05    0.404991E+03 -0.131460E-07 0.154579E-04    0.991836E+00
  21    0.228290E-05    0.398602E+03 -0.572726E-08 0.154579E-04    0.986566E+00
  22   -0.952788E-06    0.388014E+03  0.245555E-08 0.154579E-04    0.998498E+00
  23   -0.180239E-05    0.366944E+03  0.491189E-08 0.154579E-04    0.995446E+00
  24    0.145063E-05    0.364660E+03 -0.397804E-08 0.154579E-04    0.992477E+00
  25   -0.408847E-05    0.353398E+03  0.115690E-07 0.154579E-04    0.987726E+00
  26    0.564888E-05    0.346231E+03 -0.163154E-07 0.154579E-04    0.986461E+00
  27    0.397082E-05    0.324917E+03 -0.122210E-07 0.154579E-04    0.987671E+00
  28    0.325926E-05    0.323790E+03 -0.100660E-07 0.154579E-04    0.989634E+00
  29   -0.254548E-05    0.319070E+03  0.797782E-08 0.154579E-04    0.979714E+00
  30   -0.251743E-05    0.315362E+03  0.798267E-08 0.154579E-04    0.989475E+00
  31   -0.421498E-06    0.305424E+03  0.138004E-08 0.174731E-04    0.964716E+00
  32    0.430405E-06    0.287265E+03 -0.149828E-08 0.154579E-04    0.994113E+00
  33    0.202721E-05    0.280138E+03 -0.723646E-08 0.154579E-04    0.986781E+00
  34    0.899714E-06    0.272032E+03 -0.330739E-08 0.174731E-04    0.989958E+00
  35    0.585460E-05    0.265903E+03 -0.220178E-07 0.154579E-04    0.985946E+00
  36    0.620847E-06    0.261719E+03 -0.237219E-08 0.154579E-04    0.982625E+00
  37   -0.238446E-05    0.257694E+03  0.925307E-08 0.154579E-04    0.985430E+00
  38   -0.157628E-05    0.253375E+03  0.622114E-08 0.154579E-04    0.987693E+00
  39   -0.412096E-05    0.245075E+03  0.168151E-07 0.154579E-04    0.985352E+00
  40    0.777817E-06    0.240150E+03 -0.323888E-08 0.154579E-04    0.963725E+00
  41    0.133496E-05    0.233640E+03 -0.571373E-08 0.154579E-04    0.974362E+00
  42   -0.702303E-06    0.228314E+03  0.307604E-08 0.154579E-04    0.976115E+00
  43    0.749349E-06    0.225902E+03 -0.331714E-08 0.154579E-04    0.983492E+00
  44    0.184332E-06    0.213237E+03 -0.864445E-09 0.154579E-04    0.925518E+00
  45   -0.191654E-05    0.211270E+03  0.907151E-08 0.154579E-04    0.980713E+00
  46   -0.132063E-05    0.209994E+03  0.628888E-08 0.154579E-04    0.979485E+00
  47   -0.556867E-05    0.202801E+03  0.274588E-07 0.154579E-04    0.983844E+00
  48   -0.114069E-05    0.198913E+03  0.573459E-08 0.154579E-04    0.993918E+00
  49    0.264705E-05    0.195148E+03 -0.135643E-07 0.174731E-04    0.982036E+00
  50   -0.255268E-05    0.191750E+03  0.133126E-07 0.154579E-04    0.986192E+00
  51   -0.232081E-05    0.186564E+03  0.124397E-07 0.154579E-04    0.984809E+00
  52    0.394257E-06    0.179152E+03 -0.220068E-08 0.154579E-04    0.991392E+00
  53   -0.268555E-05    0.170705E+03  0.157321E-07 0.154579E-04    0.985442E+00
  54    0.562895E-06    0.168121E+03 -0.334816E-08 0.154579E-04    0.969583E+00
  55   -0.496395E-05    0.165837E+03  0.299327E-07 0.154579E-04    0.985479E+00
  56    0.186980E-05    0.160752E+03 -0.116316E-07 0.154579E-04    0.986886E+00
  57   -0.889400E-06    0.154157E+03  0.576942E-08 0.154579E-04    0.987470E+00
  58   -0.399510E-05    0.151085E+03  0.264427E-07 0.154579E-04    0.986725E+00
  59   -0.228614E-05    0.148131E+03  0.154332E-07 0.174731E-04    0.982145E+00
  60   -0.371237E-05    0.142245E+03  0.260985E-07 0.154579E-04    0.982680E+00
  61   -0.289204E-05    0.136859E+03  0.211315E-07 0.154579E-04    0.985274E+00
  62   -0.980721E-05    0.134444E+03  0.729463E-07 0.154579E-04    0.986081E+00
  63   -0.608614E-05    0.131042E+03  0.464444E-07 0.154579E-04    0.985996E+00
  64   -0.867974E-06    0.127728E+03  0.679547E-08 0.154579E-04    0.981325E+00
  65    0.136776E-05    0.125498E+03 -0.108987E-07 0.154579E-04    0.990652E+00
  66    0.626814E-05    0.124049E+03 -0.505295E-07 0.154579E-04    0.984973E+00
  67    0.594560E-06    0.119445E+03 -0.497770E-08 0.154579E-04    0.988871E+00
  68    0.156355E-05    0.118046E+03 -0.132453E-07 0.154579E-04    0.983723E+00
  69    0.933448E-06    0.116125E+03 -0.803829E-08 0.154579E-04    0.998015E+00
  70   -0.174687E-05    0.113051E+03  0.154520E-07 0.154579E-04    0.971776E+00
  71   -0.249482E-06    0.110593E+03  0.225585E-08 0.154579E-04    0.992089E+00
  72    0.712577E-05    0.105826E+03 -0.673349E-07 0.174731E-04    0.983970E+00
  73   -0.147824E-05    0.102865E+03  0.143707E-07 0.154579E-04    0.970675E+00
  74   -0.922528E-05    0.100781E+03  0.915379E-07 0.154579E-04    0.984453E+00
  75   -0.431373E-05    0.971967E+02  0.443814E-07 0.154579E-04    0.979570E+00
  76    0.688719E-05    0.949891E+02 -0.725051E-07 0.154579E-04    0.983168E+00
  77   -0.556741E-07    0.917453E+02  0.606833E-09 0.255782E-04    0.903708E+00
  78   -0.123198E-04    0.902763E+02  0.136467E-06 0.154579E-04    0.982336E+00
  79    0.157321E-04    0.874546E+02 -0.179889E-06 0.154579E-04    0.985282E+00
  80    0.260572E-05    0.844222E+02 -0.308653E-07 0.154579E-04    0.979895E+00
  81    0.366914E-05    0.809428E+02 -0.453300E-07 0.154579E-04    0.981918E+00
  82   -0.585073E-05    0.789716E+02  0.740866E-07 0.154579E-04    0.977272E+00
  83   -0.821364E-05    0.787135E+02  0.104349E-06 0.174731E-04    0.992041E+00
  84    0.422857E-05    0.732054E+02 -0.577631E-07 0.154579E-04    0.982108E+00
  85   -0.101945E-04    0.711316E+02  0.143319E-06 0.174731E-04    0.985365E+00
  86    0.127191E-04    0.699445E+02 -0.181846E-06 0.154579E-04    0.983565E+00
  87    0.526819E-05    0.674284E+02 -0.781302E-07 0.154579E-04    0.990666E+00
  88   -0.913263E-06    0.638344E+02  0.143067E-07 0.154579E-04    0.983894E+00
  89   -0.109899E-04    0.624620E+02  0.175945E-06 0.154579E-04    0.984297E+00
  90   -0.470070E-05    0.596541E+02  0.787992E-07 0.154579E-04    0.982708E+00
  91    0.136827E-05    0.583757E+02 -0.234390E-07 0.154579E-04    0.995602E+00
  92    0.963180E-05    0.558595E+02 -0.172429E-06 0.154579E-04    0.979687E+00
  93   -0.171391E-04    0.536968E+02  0.319182E-06 0.154579E-04    0.985013E+00
  94    0.571560E-05    0.524242E+02 -0.109026E-06 0.154579E-04    0.981008E+00
  95   -0.172974E-04    0.502620E+02  0.344145E-06 0.174731E-04    0.986067E+00
  96   -0.483931E-05    0.480633E+02  0.100686E-06 0.154579E-04    0.986454E+00
  97    0.851028E-05    0.439378E+02 -0.193689E-06 0.154579E-04    0.983075E+00
  98    0.681856E-05    0.396092E+02 -0.172146E-06 0.154579E-04    0.985230E+00
  99    0.771331E-05    0.380001E+02 -0.202981E-06 0.154579E-04    0.977573E+00
 100    0.165790E-04    0.360226E+02 -0.460238E-06 0.154579E-04    0.985803E+00
 101   -0.415247E-04    0.343924E+02  0.120738E-05 0.154579E-04    0.982509E+00
 102    0.188642E-04    0.301776E+02 -0.625106E-06 0.154579E-04    0.986353E+00
 103    0.139245E-04    0.290638E+02 -0.479103E-06 0.174731E-04    0.983579E+00
 104    0.208274E-04    0.286823E+02 -0.726141E-06 0.154579E-04    0.985587E+00
 105    0.458993E-05    0.238027E+02 -0.192833E-06 0.154579E-04    0.965847E+00
 106    0.372805E-05    0.218506E+02 -0.170616E-06 0.154579E-04    0.996210E+00
 107   -0.389111E-04    0.197244E+02  0.197274E-05 0.174731E-04    0.981743E+00
 108    0.594535E-04    0.163563E+02 -0.363490E-05 0.154579E-04    0.987553E+00
 109   -0.362595E-04    0.140146E+02  0.258726E-05 0.154579E-04    0.985785E+00
 110   -0.791010E-05    0.129275E+02  0.611880E-06 0.154579E-04    0.964055E+00
 111    0.447225E-04    0.119793E+02 -0.373330E-05 0.154579E-04    0.979487E+00
 112   -0.255873E-04    0.928743E+01  0.275504E-05 0.154579E-04    0.990615E+00
 113    0.885082E-04    0.750629E+01 -0.117912E-04 0.154579E-04    0.984839E+00
 114    0.104440E+00    0.469065E+01  0.400000E-03 0.400000E-03    0.414929E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2225451905E-01

 Beginning of optimization cycle   35.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4018806707
 potential> RMS force:                                               0.0099574655   |gradient|=.1063166384    
 Eigenvalues of the Hessian matrix:
   715.66252    669.34137    621.69278    602.00373    589.41484    562.56986 
   559.13473    477.19544    471.72948    464.18907    441.76583    432.44125 
   419.86911    405.00111    398.59863    388.02087    366.94293    364.64893 
   353.38677    346.19051    324.88368    323.79424    319.06685    315.38336 
   305.42397    287.26539    280.13577    272.02371    265.89956    261.72350 
   257.69167    253.37372    245.05899    240.14063    233.64804    228.31668 
   225.88393    213.22672    211.26410    209.99782    202.80228    198.90787 
   195.15081    191.74700    186.56417    179.13746    170.70356    168.12189 
   165.83573    160.75024    154.14987    151.08480    148.13731    142.25018 
   136.86017    134.44753    131.04138    127.72785    125.50125    124.05788 
   119.44370    118.04349    116.12922    113.04607    110.58866    105.82174 
   102.86361    100.77712     97.19804     94.98974     91.73843     90.28054 
    87.46457     84.42242     80.94119     78.97178     78.71515     73.20283 
    71.13472     69.93632     67.43220     63.82829     62.46033     59.65447 
    58.37853     55.85849     53.69692     52.42199     50.26290     48.06252 
    43.93361     39.61258     37.99252     36.02571     34.39643     30.16762 
    29.06254     28.68286     23.79695     21.85107     19.72008     16.36166 
    14.01171     12.92221     11.97465      9.28943      7.50803      4.69366 
overlap for current and previous eigenvector    109 is        -0.9999918351
overlap for current and previous eigenvector    110 is        -0.9999913949
overlap for current and previous eigenvector    111 is        -0.9999913358
overlap for current and previous eigenvector    112 is        -0.9999996472
overlap for current and previous eigenvector    113 is        -0.9999992808
overlap for current and previous eigenvector    114 is         0.9999990336
J1,K1,R1,R2,RAT=   7   7    0.3276227050E-03     1.999509179        0.9995091790    
FOB,PFOB,DIAG,PSTEP=    0.3297365714E-06    0.3298446448E-06     715.6625232       -0.4609317260E-09
J1,K1,R1,R2,RAT=   8   8   -0.2700854757         2.270022500        0.7299145243    
FOB,PFOB,DIAG,PSTEP=   -0.4377290839E-07   -0.3446430663E-07     669.3413741        0.5149150077E-10
J1,K1,R1,R2,RAT=   9   9   -0.1678001044E-01     2.016684845        0.9832199896    
FOB,PFOB,DIAG,PSTEP=    0.3648094271E-06    0.3587886631E-06     621.6927759       -0.5771431645E-09
J1,K1,R1,R2,RAT=  10  10   -0.6787206934E-02     2.006700825        0.9932127931    
FOB,PFOB,DIAG,PSTEP=    0.9760896393E-06    0.9695090962E-06     602.0037318       -0.1610539804E-08
J1,K1,R1,R2,RAT=  11  11   -0.3954887395E-02     2.003930182        0.9960451126    
FOB,PFOB,DIAG,PSTEP=   -0.7960524614E-06   -0.7929165271E-06     589.4148352        0.1345277171E-08
J1,K1,R1,R2,RAT= 109 109     2.014320725       -0.1390548947E-01    0.9860945105    
FOB,PFOB,DIAG,PSTEP=    0.3676357168E-04   -0.3625947066E-04     14.01171385        0.2587259810E-05
J1,K1,R1,R2,RAT= 110 110     2.036517939       -0.3569265223E-01    0.9643073478    
FOB,PFOB,DIAG,PSTEP=    0.8192319803E-05   -0.7910103678E-05     12.92221376        0.6118797535E-06
J1,K1,R1,R2,RAT= 111 111     2.020939367       -0.2015455173E-01    0.9798454483    
FOB,PFOB,DIAG,PSTEP=   -0.4562347943E-04    0.4472247162E-04     11.97464551       -0.3733298747E-05
J1,K1,R1,R2,RAT= 112 112     2.008567913       -0.8997031186E-02    0.9910029688    
FOB,PFOB,DIAG,PSTEP=    0.2581751776E-04   -0.2558725899E-04     9.289428027        0.2755040468E-05
J1,K1,R1,R2,RAT= 113 113     2.014376191       -0.1484055343E-01    0.9851594466    
FOB,PFOB,DIAG,PSTEP=   -0.8982205776E-04    0.8850824143E-04     7.508033760       -0.1179120912E-04
J1,K1,R1,R2,RAT= 114 114    0.9995884394        -112.2557601        0.4115606223E-03
FOB,PFOB,DIAG,PSTEP=    0.1063165290        0.1044398357         4.693664817        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00001     -0.00001     -0.00000      0.00000      0.00001 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00001     -0.00000     -0.00001     -0.00000     -0.00001 
     0.00002      0.00000      0.00000     -0.00001      0.00001      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00001     -0.00000 
    -0.00000      0.00001     -0.00002      0.00001     -0.00002     -0.00000 
     0.00001     -0.00001     -0.00001      0.00002     -0.00004      0.00002 
     0.00001      0.00002      0.00000      0.00000     -0.00004     -0.00006 
     0.00004      0.00001     -0.00005      0.00003     -0.00009      0.10632 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4328760859
 Log product of positive Hessian eigenvalues =          520.5105173154
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6936648169
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000034
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000084
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000009
 Unscaled step for mode   17=       -0.0000000008
 Unscaled step for mode   18=       -0.0000000046
 Unscaled step for mode   19=       -0.0000000083
 Unscaled step for mode   20=       -0.0000000133
 Unscaled step for mode   21=       -0.0000000058
 Unscaled step for mode   22=        0.0000000025
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000040
 Unscaled step for mode   25=        0.0000000117
 Unscaled step for mode   26=       -0.0000000165
 Unscaled step for mode   27=       -0.0000000124
 Unscaled step for mode   28=       -0.0000000102
 Unscaled step for mode   29=        0.0000000081
 Unscaled step for mode   30=        0.0000000081
 Unscaled step for mode   31=        0.0000000014
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000073
 Unscaled step for mode   34=       -0.0000000033
 Unscaled step for mode   35=       -0.0000000223
 Unscaled step for mode   36=       -0.0000000024
 Unscaled step for mode   37=        0.0000000094
 Unscaled step for mode   38=        0.0000000063
 Unscaled step for mode   39=        0.0000000171
 Unscaled step for mode   40=       -0.0000000034
 Unscaled step for mode   41=       -0.0000000059
 Unscaled step for mode   42=        0.0000000031
 Unscaled step for mode   43=       -0.0000000034
 Unscaled step for mode   44=       -0.0000000008
 Unscaled step for mode   45=        0.0000000092
 Unscaled step for mode   46=        0.0000000064
 Unscaled step for mode   47=        0.0000000279
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000138
 Unscaled step for mode   50=        0.0000000135
 Unscaled step for mode   51=        0.0000000126
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=        0.0000000160
 Unscaled step for mode   54=       -0.0000000034
 Unscaled step for mode   55=       -0.0000000304
 Unscaled step for mode   56=        0.0000000118
 Unscaled step for mode   57=       -0.0000000058
 Unscaled step for mode   58=       -0.0000000268
 Unscaled step for mode   59=        0.0000000157
 Unscaled step for mode   60=        0.0000000265
 Unscaled step for mode   61=       -0.0000000214
 Unscaled step for mode   62=       -0.0000000739
 Unscaled step for mode   63=        0.0000000471
 Unscaled step for mode   64=        0.0000000069
 Unscaled step for mode   65=       -0.0000000110
 Unscaled step for mode   66=       -0.0000000513
 Unscaled step for mode   67=       -0.0000000050
 Unscaled step for mode   68=       -0.0000000135
 Unscaled step for mode   69=       -0.0000000081
 Unscaled step for mode   70=        0.0000000159
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=       -0.0000000684
 Unscaled step for mode   73=        0.0000000148
 Unscaled step for mode   74=        0.0000000929
 Unscaled step for mode   75=        0.0000000453
 Unscaled step for mode   76=        0.0000000737
 Unscaled step for mode   77=        0.0000000007
 Unscaled step for mode   78=        0.0000001388
 Unscaled step for mode   79=       -0.0000001825
 Unscaled step for mode   80=       -0.0000000315
 Unscaled step for mode   81=       -0.0000000461
 Unscaled step for mode   82=        0.0000000758
 Unscaled step for mode   83=       -0.0000001051
 Unscaled step for mode   84=       -0.0000000588
 Unscaled step for mode   85=        0.0000001454
 Unscaled step for mode   86=       -0.0000001848
 Unscaled step for mode   87=       -0.0000000788
 Unscaled step for mode   88=        0.0000000145
 Unscaled step for mode   89=        0.0000001787
 Unscaled step for mode   90=        0.0000000801
 Unscaled step for mode   91=        0.0000000235
 Unscaled step for mode   92=       -0.0000001759
 Unscaled step for mode   93=        0.0000003239
 Unscaled step for mode   94=       -0.0000001111
 Unscaled step for mode   95=        0.0000003488
 Unscaled step for mode   96=        0.0000001020
 Unscaled step for mode   97=       -0.0000001969
 Unscaled step for mode   98=        0.0000001746
 Unscaled step for mode   99=        0.0000002075
 Unscaled step for mode  100=       -0.0000004666
 Unscaled step for mode  101=        0.0000012280
 Unscaled step for mode  102=       -0.0000006337
 Unscaled step for mode  103=       -0.0000004868
 Unscaled step for mode  104=       -0.0000007364
 Unscaled step for mode  105=       -0.0000001993
 Unscaled step for mode  106=       -0.0000001712
 Unscaled step for mode  107=        0.0000020086
 Unscaled step for mode  108=        0.0000036777
 Unscaled step for mode  109=       -0.0000026238
 Unscaled step for mode  110=       -0.0000006340
 Unscaled step for mode  111=        0.0000038100
 Unscaled step for mode  112=       -0.0000027792
 Unscaled step for mode  113=        0.0000119635
 Unscaled step for mode  114=        0.0226394600
 Largest modulus ratio of non-zero e/values=           152.4741436    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.154932E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.291867E-15    0.100782E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.248333E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.555112E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.254110E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.521637E-16    0.973434E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329737E-06    0.715663E+03 -0.460743E-09 0.139261E-04    0.999509E+00
   8   -0.437729E-07    0.669341E+03  0.653970E-10 0.168491E-04    0.729915E+00
   9    0.364809E-06    0.621693E+03 -0.586800E-09 0.139261E-04    0.983220E+00
  10    0.976090E-06    0.602004E+03 -0.162140E-08 0.139261E-04    0.993213E+00
  11   -0.796052E-06    0.589415E+03  0.135058E-08 0.139261E-04    0.996045E+00
  12    0.191308E-05    0.562570E+03 -0.340061E-08 0.139261E-04    0.992326E+00
  13    0.198788E-05    0.559135E+03 -0.355527E-08 0.139261E-04    0.997300E+00
  14   -0.400535E-05    0.477195E+03  0.839352E-08 0.157416E-04    0.992657E+00
  15    0.131506E-05    0.471729E+03 -0.278774E-08 0.139261E-04    0.993954E+00
  16    0.439881E-06    0.464189E+03 -0.947632E-09 0.139261E-04    0.983058E+00
  17    0.334227E-06    0.441766E+03 -0.756570E-09 0.157416E-04    0.978115E+00
  18    0.197326E-05    0.432441E+03 -0.456308E-08 0.139261E-04    0.990566E+00
  19    0.346946E-05    0.419869E+03 -0.826319E-08 0.139261E-04    0.988428E+00
  20    0.536688E-05    0.405001E+03 -0.132515E-07 0.139261E-04    0.991950E+00
  21    0.231320E-05    0.398599E+03 -0.580334E-08 0.139261E-04    0.986724E+00
  22   -0.951159E-06    0.388021E+03  0.245131E-08 0.139261E-04    0.998257E+00
  23   -0.181037E-05    0.366943E+03  0.493366E-08 0.139261E-04    0.995570E+00
  24    0.146134E-05    0.364649E+03 -0.400753E-08 0.139261E-04    0.992616E+00
  25   -0.413816E-05    0.353387E+03  0.117100E-07 0.139261E-04    0.987846E+00
  26    0.572466E-05    0.346191E+03 -0.165362E-07 0.139261E-04    0.986583E+00
  27    0.401926E-05    0.324884E+03 -0.123714E-07 0.139261E-04    0.987800E+00
  28    0.329237E-05    0.323794E+03 -0.101681E-07 0.139261E-04    0.989840E+00
  29   -0.259667E-05    0.319067E+03  0.813833E-08 0.139261E-04    0.979890E+00
  30   -0.254375E-05    0.315383E+03  0.806559E-08 0.139261E-04    0.989544E+00
  31   -0.436081E-06    0.305424E+03  0.142779E-08 0.157416E-04    0.965403E+00
  32    0.427683E-06    0.287265E+03 -0.148881E-08 0.139261E-04    0.993674E+00
  33    0.205370E-05    0.280136E+03 -0.733110E-08 0.139261E-04    0.986930E+00
  34    0.908691E-06    0.272024E+03 -0.334048E-08 0.157416E-04    0.990023E+00
  35    0.593595E-05    0.265900E+03 -0.223240E-07 0.139261E-04    0.986105E+00
  36    0.631619E-06    0.261723E+03 -0.241331E-08 0.139261E-04    0.982649E+00
  37   -0.241884E-05    0.257692E+03  0.938658E-08 0.139261E-04    0.985579E+00
  38   -0.159543E-05    0.253374E+03  0.629674E-08 0.139261E-04    0.987850E+00
  39   -0.418065E-05    0.245059E+03  0.170598E-07 0.139261E-04    0.985514E+00
  40    0.805553E-06    0.240141E+03 -0.335451E-08 0.139261E-04    0.964340E+00
  41    0.136879E-05    0.233648E+03 -0.585832E-08 0.139261E-04    0.974660E+00
  42   -0.718872E-06    0.228317E+03  0.314857E-08 0.139261E-04    0.976408E+00
  43    0.761621E-06    0.225884E+03 -0.337174E-08 0.139261E-04    0.983621E+00
  44    0.168919E-06    0.213227E+03 -0.792205E-09 0.139261E-04    0.916385E+00
  45   -0.195279E-05    0.211264E+03  0.924334E-08 0.139261E-04    0.981087E+00
  46   -0.134790E-05    0.209998E+03  0.641866E-08 0.139261E-04    0.979347E+00
  47   -0.565761E-05    0.202802E+03  0.278972E-07 0.139261E-04    0.984029E+00
  48   -0.114731E-05    0.198908E+03  0.576802E-08 0.139261E-04    0.994197E+00
  49    0.269410E-05    0.195151E+03 -0.138052E-07 0.157416E-04    0.982225E+00
  50   -0.258744E-05    0.191747E+03  0.134940E-07 0.139261E-04    0.986381E+00
  51   -0.235561E-05    0.186564E+03  0.126263E-07 0.139261E-04    0.985002E+00
  52    0.397550E-06    0.179137E+03 -0.221924E-08 0.139261E-04    0.991647E+00
  53   -0.272408E-05    0.170704E+03  0.159579E-07 0.139261E-04    0.985653E+00
  54    0.579813E-06    0.168122E+03 -0.344877E-08 0.139261E-04    0.969943E+00
  55    0.503506E-05    0.165836E+03 -0.303617E-07 0.139261E-04    0.985674E+00
  56   -0.189398E-05    0.160750E+03  0.117821E-07 0.139261E-04    0.987071E+00
  57    0.900381E-06    0.154150E+03 -0.584095E-08 0.139261E-04    0.987653E+00
  58    0.404740E-05    0.151085E+03 -0.267889E-07 0.139261E-04    0.986909E+00
  59   -0.232639E-05    0.148137E+03  0.157043E-07 0.157416E-04    0.982395E+00
  60   -0.377577E-05    0.142250E+03  0.265432E-07 0.139261E-04    0.982923E+00
  61    0.293409E-05    0.136860E+03 -0.214386E-07 0.139261E-04    0.985462E+00
  62    0.994165E-05    0.134448E+03 -0.739445E-07 0.139261E-04    0.986291E+00
  63   -0.617013E-05    0.131041E+03  0.470853E-07 0.139261E-04    0.986201E+00
  64   -0.884045E-06    0.127728E+03  0.692132E-08 0.139261E-04    0.981484E+00
  65    0.138012E-05    0.125501E+03 -0.109968E-07 0.139261E-04    0.990968E+00
  66    0.636102E-05    0.124058E+03 -0.512746E-07 0.139261E-04    0.985184E+00
  67    0.601092E-06    0.119444E+03 -0.503243E-08 0.139261E-04    0.989013E+00
  68    0.158866E-05    0.118043E+03 -0.134583E-07 0.139261E-04    0.983938E+00
  69    0.934976E-06    0.116129E+03 -0.805117E-08 0.139261E-04    0.998363E+00
  70   -0.179538E-05    0.113046E+03  0.158819E-07 0.139261E-04    0.972227E+00
  71   -0.251344E-06    0.110589E+03  0.227278E-08 0.139261E-04    0.992537E+00
  72    0.723844E-05    0.105822E+03 -0.684022E-07 0.157416E-04    0.984187E+00
  73   -0.152101E-05    0.102864E+03  0.147867E-07 0.139261E-04    0.971066E+00
  74   -0.936650E-05    0.100777E+03  0.929427E-07 0.139261E-04    0.984691E+00
  75   -0.440082E-05    0.971980E+02  0.452768E-07 0.139261E-04    0.979811E+00
  76   -0.700152E-05    0.949897E+02  0.737081E-07 0.139261E-04    0.983401E+00
  77   -0.606610E-07    0.917384E+02  0.661238E-09 0.230434E-04    0.910421E+00
  78   -0.125344E-04    0.902805E+02  0.138838E-06 0.139261E-04    0.982579E+00
  79    0.159595E-04    0.874646E+02 -0.182468E-06 0.139261E-04    0.985547E+00
  80    0.265746E-05    0.844224E+02 -0.314781E-07 0.139261E-04    0.980142E+00
  81    0.373449E-05    0.809412E+02 -0.461383E-07 0.139261E-04    0.982189E+00
  82   -0.598269E-05    0.789718E+02  0.757573E-07 0.139261E-04    0.977447E+00
  83    0.827530E-05    0.787152E+02 -0.105130E-06 0.157416E-04    0.992494E+00
  84    0.430318E-05    0.732028E+02 -0.587844E-07 0.139261E-04    0.982355E+00
  85   -0.103414E-04    0.711347E+02  0.145377E-06 0.157416E-04    0.985596E+00
  86    0.129245E-04    0.699363E+02 -0.184804E-06 0.139261E-04    0.983846E+00
  87    0.531571E-05    0.674322E+02 -0.788305E-07 0.139261E-04    0.990980E+00
  88   -0.927279E-06    0.638283E+02  0.145277E-07 0.139261E-04    0.984651E+00
  89   -0.111597E-04    0.624603E+02  0.178669E-06 0.139261E-04    0.984548E+00
  90   -0.478070E-05    0.596545E+02  0.801398E-07 0.139261E-04    0.982982E+00
  91   -0.137382E-05    0.583785E+02  0.235330E-07 0.139261E-04    0.995942E+00
  92    0.982473E-05    0.558585E+02 -0.175886E-06 0.139261E-04    0.979969E+00
  93   -0.173910E-04    0.536969E+02  0.323874E-06 0.139261E-04    0.985299E+00
  94    0.582261E-05    0.524220E+02 -0.111072E-06 0.139261E-04    0.981275E+00
  95   -0.175335E-04    0.502629E+02  0.348836E-06 0.157416E-04    0.986350E+00
  96   -0.490357E-05    0.480625E+02  0.102025E-06 0.139261E-04    0.986721E+00
  97    0.865185E-05    0.439336E+02 -0.196930E-06 0.139261E-04    0.983364E+00
  98   -0.691752E-05    0.396126E+02  0.174629E-06 0.139261E-04    0.985489E+00
  99   -0.788399E-05    0.379925E+02  0.207514E-06 0.139261E-04    0.977868E+00
 100    0.168100E-04    0.360257E+02 -0.466611E-06 0.139261E-04    0.986067E+00
 101   -0.422378E-04    0.343964E+02  0.122797E-05 0.139261E-04    0.982830E+00
 102    0.191164E-04    0.301676E+02 -0.633672E-06 0.139261E-04    0.986629E+00
 103    0.141491E-04    0.290625E+02 -0.486850E-06 0.157416E-04    0.983872E+00
 104    0.211213E-04    0.286829E+02 -0.736373E-06 0.139261E-04    0.985892E+00
 105    0.474329E-05    0.237970E+02 -0.199323E-06 0.139261E-04    0.966581E+00
 106    0.374030E-05    0.218511E+02 -0.171173E-06 0.139261E-04    0.996714E+00
 107   -0.396089E-04    0.197201E+02  0.200856E-05 0.157416E-04    0.982062E+00
 108   -0.601740E-04    0.163617E+02  0.367774E-05 0.139261E-04    0.987886E+00
 109    0.367636E-04    0.140117E+02 -0.262377E-05 0.139261E-04    0.986095E+00
 110    0.819232E-05    0.129222E+02 -0.633972E-06 0.139261E-04    0.964307E+00
 111   -0.456235E-04    0.119746E+02  0.381001E-05 0.139261E-04    0.979845E+00
 112    0.258175E-04    0.928943E+01 -0.277924E-05 0.139261E-04    0.991003E+00
 113   -0.898221E-04    0.750803E+01  0.119635E-04 0.139261E-04    0.985159E+00
 114    0.106317E+00    0.469366E+01  0.400000E-03 0.400000E-03    0.411561E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2263946001E-01

 Beginning of optimization cycle   36.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4018377694
 potential> RMS force:                                               0.0101333461   |gradient|=.1081945297    
 Eigenvalues of the Hessian matrix:
   715.72093    669.36239    621.72223    602.02959    589.42199    562.59466 
   559.17177    477.20808    471.70799    464.17597    441.76112    432.42961 
   419.87637    405.01132    398.59540    388.02730    366.94210    364.63808 
   353.37512    346.15016    324.85016    323.79886    319.06376    315.40495 
   305.42377    287.26559    280.13354    272.01558    265.89653    261.72807 
   257.68962    253.37297    245.04265    240.13092    233.65572    228.31939 
   225.86600    213.21672    211.25810    210.00124    202.80338    198.90261 
   195.15354    191.74449    186.56428    179.12273    170.70190    168.12323 
   165.83433    160.74874    154.14229    151.08426    148.14390    142.25551 
   136.86109    134.45098    131.04120    127.72734    125.50448    124.06659 
   119.44281    118.04144    116.13331    113.04081    110.58401    105.81770 
   102.86233    100.77323     97.19935     94.99043     91.73153     90.28480 
    87.47461     84.42267     80.93965     78.97199     78.71679     73.20027 
    71.13780     69.92817     67.43602     63.82216     62.45866     59.65482 
    58.38140     55.85748     53.69699     52.41983     50.26381     48.06171 
    43.92943     39.61591     37.98493     36.02878     34.40054     30.15763 
    29.06133     28.68337     23.79122     21.85159     19.71582     16.36696 
    14.00882     12.91688     11.96989      9.29142      7.50976      4.69664 
overlap for current and previous eigenvector    109 is         0.9999918867
overlap for current and previous eigenvector    110 is         0.9999913157
overlap for current and previous eigenvector    111 is         0.9999911778
overlap for current and previous eigenvector    112 is         0.9999996476
overlap for current and previous eigenvector    113 is         0.9999992829
overlap for current and previous eigenvector    114 is         0.9999990380
J1,K1,R1,R2,RAT=   7   7    0.5740979897E-03     1.999262692        0.9992626922    
FOB,PFOB,DIAG,PSTEP=    0.3295472548E-06    0.3297365714E-06     715.7209296       -0.4607431026E-09
J1,K1,R1,R2,RAT=   8   8   -0.2148616748         2.214798871        0.7851383252    
FOB,PFOB,DIAG,PSTEP=   -0.5317832414E-07   -0.4377290839E-07     669.3623933        0.6539698588E-10
J1,K1,R1,R2,RAT=   9   9   -0.1648479959E-01     2.016390052        0.9835152004    
FOB,PFOB,DIAG,PSTEP=    0.3708235223E-06    0.3648094271E-06     621.7222292       -0.5868001709E-09
J1,K1,R1,R2,RAT=  10  10   -0.6688344564E-02     2.006602435        0.9933116554    
FOB,PFOB,DIAG,PSTEP=    0.9826183436E-06    0.9760896393E-06     602.0295917       -0.1621401310E-08
J1,K1,R1,R2,RAT=  11  11   -0.3887719669E-02     2.003863453        0.9961122803    
FOB,PFOB,DIAG,PSTEP=   -0.7991473277E-06   -0.7960524614E-06     589.4219868        0.1350580973E-08
J1,K1,R1,R2,RAT= 109 109   -0.1360672749E-01     2.014019702        0.9863932725    
FOB,PFOB,DIAG,PSTEP=    0.3726370032E-04    0.3676357168E-04     14.00882121       -0.2623774085E-05
J1,K1,R1,R2,RAT= 110 110   -0.3543986580E-01     2.036266443        0.9645601342    
FOB,PFOB,DIAG,PSTEP=    0.8482534575E-05    0.8192319803E-05     12.91687536       -0.6339718530E-06
J1,K1,R1,R2,RAT= 111 111   -0.1980616779E-01     2.020600890        0.9801938322    
FOB,PFOB,DIAG,PSTEP=   -0.4652674679E-04   -0.4562347943E-04     11.96988914        0.3810006685E-05
J1,K1,R1,R2,RAT= 112 112   -0.8618922594E-02     2.008189787        0.9913810774    
FOB,PFOB,DIAG,PSTEP=    0.2604008470E-04    0.2581751776E-04     9.291421669       -0.2779236535E-05
J1,K1,R1,R2,RAT= 113 113   -0.1453035004E-01     2.014071449        0.9854696500    
FOB,PFOB,DIAG,PSTEP=   -0.9112750323E-04   -0.8982205776E-04     7.509756878        0.1196345949E-04
J1,K1,R1,R2,RAT= 114 114    0.9995918060        -114.1831506        0.4081939695E-03
FOB,PFOB,DIAG,PSTEP=    0.1081944189        0.1063165290         4.696641901        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00001     -0.00001     -0.00000      0.00000      0.00001 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00001 
     0.00000      0.00001     -0.00000      0.00001      0.00000     -0.00001 
     0.00002      0.00000      0.00000     -0.00001     -0.00001      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000      0.00001      0.00000 
     0.00000      0.00001     -0.00002     -0.00001      0.00002      0.00000 
     0.00001     -0.00001     -0.00001      0.00002     -0.00004      0.00002 
     0.00001      0.00002      0.00000      0.00000     -0.00004     -0.00006 
     0.00004      0.00001     -0.00005      0.00003     -0.00009      0.10819 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4329695209
 Log product of positive Hessian eigenvalues =          520.5097476444
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6966419014
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000034
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000085
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000010
 Unscaled step for mode   17=       -0.0000000008
 Unscaled step for mode   18=       -0.0000000046
 Unscaled step for mode   19=       -0.0000000084
 Unscaled step for mode   20=       -0.0000000134
 Unscaled step for mode   21=       -0.0000000059
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000040
 Unscaled step for mode   25=        0.0000000119
 Unscaled step for mode   26=       -0.0000000168
 Unscaled step for mode   27=       -0.0000000125
 Unscaled step for mode   28=       -0.0000000103
 Unscaled step for mode   29=        0.0000000083
 Unscaled step for mode   30=        0.0000000081
 Unscaled step for mode   31=        0.0000000015
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000074
 Unscaled step for mode   34=       -0.0000000034
 Unscaled step for mode   35=       -0.0000000226
 Unscaled step for mode   36=       -0.0000000025
 Unscaled step for mode   37=        0.0000000095
 Unscaled step for mode   38=        0.0000000064
 Unscaled step for mode   39=        0.0000000173
 Unscaled step for mode   40=       -0.0000000035
 Unscaled step for mode   41=       -0.0000000060
 Unscaled step for mode   42=        0.0000000032
 Unscaled step for mode   43=       -0.0000000034
 Unscaled step for mode   44=       -0.0000000007
 Unscaled step for mode   45=        0.0000000094
 Unscaled step for mode   46=        0.0000000066
 Unscaled step for mode   47=        0.0000000283
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000140
 Unscaled step for mode   50=        0.0000000137
 Unscaled step for mode   51=        0.0000000128
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=        0.0000000162
 Unscaled step for mode   54=       -0.0000000036
 Unscaled step for mode   55=       -0.0000000308
 Unscaled step for mode   56=        0.0000000119
 Unscaled step for mode   57=       -0.0000000059
 Unscaled step for mode   58=       -0.0000000271
 Unscaled step for mode   59=        0.0000000160
 Unscaled step for mode   60=        0.0000000270
 Unscaled step for mode   61=       -0.0000000217
 Unscaled step for mode   62=       -0.0000000749
 Unscaled step for mode   63=        0.0000000477
 Unscaled step for mode   64=        0.0000000070
 Unscaled step for mode   65=       -0.0000000111
 Unscaled step for mode   66=       -0.0000000520
 Unscaled step for mode   67=       -0.0000000051
 Unscaled step for mode   68=       -0.0000000137
 Unscaled step for mode   69=       -0.0000000081
 Unscaled step for mode   70=       -0.0000000163
 Unscaled step for mode   71=       -0.0000000023
 Unscaled step for mode   72=        0.0000000695
 Unscaled step for mode   73=       -0.0000000152
 Unscaled step for mode   74=       -0.0000000943
 Unscaled step for mode   75=        0.0000000462
 Unscaled step for mode   76=       -0.0000000749
 Unscaled step for mode   77=       -0.0000000007
 Unscaled step for mode   78=        0.0000001412
 Unscaled step for mode   79=       -0.0000001850
 Unscaled step for mode   80=       -0.0000000321
 Unscaled step for mode   81=       -0.0000000469
 Unscaled step for mode   82=        0.0000000775
 Unscaled step for mode   83=        0.0000001059
 Unscaled step for mode   84=       -0.0000000598
 Unscaled step for mode   85=        0.0000001474
 Unscaled step for mode   86=        0.0000001878
 Unscaled step for mode   87=        0.0000000795
 Unscaled step for mode   88=       -0.0000000147
 Unscaled step for mode   89=       -0.0000001814
 Unscaled step for mode   90=       -0.0000000815
 Unscaled step for mode   91=       -0.0000000236
 Unscaled step for mode   92=       -0.0000001794
 Unscaled step for mode   93=        0.0000003285
 Unscaled step for mode   94=        0.0000001131
 Unscaled step for mode   95=       -0.0000003535
 Unscaled step for mode   96=       -0.0000001034
 Unscaled step for mode   97=       -0.0000002002
 Unscaled step for mode   98=        0.0000001771
 Unscaled step for mode   99=        0.0000002121
 Unscaled step for mode  100=       -0.0000004730
 Unscaled step for mode  101=        0.0000012485
 Unscaled step for mode  102=       -0.0000006422
 Unscaled step for mode  103=       -0.0000004946
 Unscaled step for mode  104=       -0.0000007465
 Unscaled step for mode  105=       -0.0000002059
 Unscaled step for mode  106=       -0.0000001716
 Unscaled step for mode  107=        0.0000020444
 Unscaled step for mode  108=        0.0000037199
 Unscaled step for mode  109=       -0.0000026600
 Unscaled step for mode  110=       -0.0000006567
 Unscaled step for mode  111=        0.0000038870
 Unscaled step for mode  112=       -0.0000028026
 Unscaled step for mode  113=        0.0000121345
 Unscaled step for mode  114=        0.0230243363
 Largest modulus ratio of non-zero e/values=           152.3899298    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.932848E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.192012E-15    0.100781E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.364292E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.329807E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.932439E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.240130E-15    0.973435E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329547E-06    0.715721E+03 -0.460441E-09 0.125460E-04    0.999263E+00
   8   -0.531783E-07    0.669362E+03  0.794462E-10 0.151794E-04    0.785138E+00
   9    0.370824E-06    0.621722E+03 -0.596446E-09 0.125460E-04    0.983515E+00
  10    0.982618E-06    0.602030E+03 -0.163218E-08 0.125460E-04    0.993312E+00
  11   -0.799147E-06    0.589422E+03  0.135582E-08 0.125460E-04    0.996112E+00
  12    0.192762E-05    0.562595E+03 -0.342631E-08 0.125460E-04    0.992401E+00
  13    0.199301E-05    0.559172E+03 -0.356422E-08 0.125460E-04    0.997417E+00
  14   -0.403434E-05    0.477208E+03  0.845404E-08 0.141816E-04    0.992763E+00
  15    0.132291E-05    0.471708E+03 -0.280451E-08 0.125460E-04    0.994028E+00
  16    0.447303E-06    0.464176E+03 -0.963649E-09 0.125460E-04    0.983127E+00
  17    0.341466E-06    0.441761E+03 -0.772965E-09 0.141816E-04    0.978341E+00
  18    0.199168E-05    0.432430E+03 -0.460579E-08 0.125460E-04    0.990666E+00
  19    0.350923E-05    0.419876E+03 -0.835777E-08 0.125460E-04    0.988536E+00
  20    0.540948E-05    0.405011E+03 -0.133564E-07 0.125460E-04    0.992062E+00
  21    0.234355E-05    0.398595E+03 -0.587953E-08 0.125460E-04    0.986879E+00
  22   -0.949303E-06    0.388027E+03  0.244648E-08 0.125460E-04    0.998016E+00
  23   -0.181817E-05    0.366942E+03  0.495492E-08 0.125460E-04    0.995693E+00
  24    0.147193E-05    0.364638E+03 -0.403669E-08 0.125460E-04    0.992753E+00
  25   -0.418796E-05    0.353375E+03  0.118513E-07 0.125460E-04    0.987964E+00
  26    0.580077E-05    0.346150E+03 -0.167580E-07 0.125460E-04    0.986704E+00
  27    0.406780E-05    0.324850E+03 -0.125221E-07 0.125460E-04    0.987921E+00
  28    0.332512E-05    0.323799E+03 -0.102691E-07 0.125460E-04    0.990052E+00
  29   -0.264844E-05    0.319064E+03  0.830067E-08 0.125460E-04    0.980063E+00
  30   -0.257018E-05    0.315405E+03  0.814883E-08 0.125460E-04    0.989610E+00
  31   -0.450880E-06    0.305424E+03  0.147624E-08 0.141816E-04    0.966063E+00
  32    0.424787E-06    0.287266E+03 -0.147873E-08 0.125460E-04    0.993228E+00
  33    0.208025E-05    0.280134E+03 -0.742592E-08 0.125460E-04    0.987075E+00
  34    0.917701E-06    0.272016E+03 -0.337371E-08 0.141816E-04    0.990084E+00
  35    0.601751E-05    0.265897E+03 -0.226310E-07 0.125460E-04    0.986260E+00
  36    0.642565E-06    0.261728E+03 -0.245509E-08 0.125460E-04    0.982671E+00
  37   -0.245337E-05    0.257690E+03  0.952064E-08 0.125460E-04    0.985726E+00
  38   -0.161457E-05    0.253373E+03  0.637230E-08 0.125460E-04    0.988003E+00
  39   -0.424054E-05    0.245043E+03  0.173053E-07 0.125460E-04    0.985672E+00
  40    0.833801E-06    0.240131E+03 -0.347228E-08 0.125460E-04    0.964932E+00
  41    0.140307E-05    0.233656E+03 -0.600487E-08 0.125460E-04    0.974952E+00
  42   -0.735626E-06    0.228319E+03  0.322191E-08 0.125460E-04    0.976695E+00
  43    0.773999E-06    0.225866E+03 -0.342681E-08 0.125460E-04    0.983747E+00
  44    0.152924E-06    0.213217E+03 -0.717223E-09 0.125460E-04    0.905304E+00
  45   -0.198899E-05    0.211258E+03  0.941500E-08 0.125460E-04    0.981458E+00
  46   -0.137593E-05    0.210001E+03  0.655200E-08 0.125460E-04    0.979210E+00
  47   -0.574695E-05    0.202803E+03  0.283375E-07 0.125460E-04    0.984210E+00
  48   -0.115365E-05    0.198903E+03  0.580007E-08 0.125460E-04    0.994471E+00
  49    0.274149E-05    0.195154E+03 -0.140479E-07 0.141816E-04    0.982410E+00
  50   -0.262220E-05    0.191744E+03  0.136755E-07 0.125460E-04    0.986567E+00
  51   -0.239050E-05    0.186564E+03  0.128133E-07 0.125460E-04    0.985190E+00
  52    0.400770E-06    0.179123E+03 -0.223741E-08 0.125460E-04    0.991899E+00
  53   -0.276260E-05    0.170702E+03  0.161838E-07 0.125460E-04    0.985858E+00
  54    0.597036E-06    0.168123E+03 -0.355118E-08 0.125460E-04    0.970297E+00
  55    0.510624E-05    0.165834E+03 -0.307912E-07 0.125460E-04    0.985864E+00
  56   -0.191812E-05    0.160749E+03  0.119324E-07 0.125460E-04    0.987252E+00
  57    0.911338E-06    0.154142E+03 -0.591232E-08 0.125460E-04    0.987830E+00
  58    0.409966E-05    0.151084E+03 -0.271349E-07 0.125460E-04    0.987088E+00
  59   -0.236677E-05    0.148144E+03  0.159762E-07 0.141816E-04    0.982640E+00
  60   -0.383936E-05    0.142256E+03  0.269892E-07 0.125460E-04    0.983160E+00
  61    0.297621E-05    0.136861E+03 -0.217462E-07 0.125460E-04    0.985645E+00
  62    0.100759E-04    0.134451E+03 -0.749412E-07 0.125460E-04    0.986496E+00
  63   -0.625404E-05    0.131041E+03  0.477257E-07 0.125460E-04    0.986400E+00
  64   -0.900278E-06    0.127727E+03  0.704844E-08 0.125460E-04    0.981638E+00
  65    0.139215E-05    0.125504E+03 -0.110925E-07 0.125460E-04    0.991280E+00
  66    0.645396E-05    0.124067E+03 -0.520202E-07 0.125460E-04    0.985389E+00
  67    0.607614E-06    0.119443E+03 -0.508707E-08 0.125460E-04    0.989149E+00
  68    0.161385E-05    0.118041E+03 -0.136719E-07 0.125460E-04    0.984146E+00
  69    0.936185E-06    0.116133E+03 -0.806130E-08 0.125460E-04    0.998707E+00
  70    0.184446E-05    0.113041E+03 -0.163168E-07 0.125460E-04    0.972663E+00
  71    0.253107E-06    0.110584E+03 -0.228882E-08 0.125460E-04    0.992983E+00
  72   -0.735138E-05    0.105818E+03  0.694721E-07 0.141816E-04    0.984397E+00
  73    0.156444E-05    0.102862E+03 -0.152091E-07 0.125460E-04    0.971447E+00
  74    0.950771E-05    0.100773E+03 -0.943476E-07 0.125460E-04    0.984923E+00
  75   -0.448864E-05    0.971994E+02  0.461797E-07 0.125460E-04    0.980045E+00
  76    0.711616E-05    0.949904E+02 -0.749145E-07 0.125460E-04    0.983627E+00
  77    0.657447E-07    0.917315E+02 -0.716708E-09 0.207598E-04    0.916187E+00
  78   -0.127498E-04    0.902848E+02  0.141217E-06 0.125460E-04    0.982816E+00
  79    0.161861E-04    0.874746E+02 -0.185038E-06 0.125460E-04    0.985805E+00
  80    0.270959E-05    0.844227E+02 -0.320956E-07 0.125460E-04    0.980383E+00
  81    0.380002E-05    0.809397E+02 -0.469488E-07 0.125460E-04    0.982453E+00
  82   -0.611654E-05    0.789720E+02  0.774520E-07 0.125460E-04    0.977626E+00
  83   -0.833370E-05    0.787168E+02  0.105869E-06 0.141816E-04    0.992943E+00
  84    0.437809E-05    0.732003E+02 -0.598097E-07 0.125460E-04    0.982593E+00
  85   -0.104880E-04    0.711378E+02  0.147432E-06 0.141816E-04    0.985820E+00
  86   -0.131298E-04    0.699282E+02  0.187761E-06 0.125460E-04    0.984118E+00
  87   -0.536203E-05    0.674360E+02  0.795129E-07 0.125460E-04    0.991287E+00
  88    0.940818E-06    0.638222E+02 -0.147412E-07 0.125460E-04    0.985398E+00
  89    0.113294E-04    0.624587E+02 -0.181391E-06 0.125460E-04    0.984790E+00
  90    0.486079E-05    0.596548E+02 -0.814819E-07 0.125460E-04    0.983247E+00
  91    0.137894E-05    0.583814E+02 -0.236195E-07 0.125460E-04    0.996276E+00
  92    0.100188E-04    0.558575E+02 -0.179364E-06 0.125460E-04    0.980243E+00
  93   -0.176418E-04    0.536970E+02  0.328544E-06 0.125460E-04    0.985578E+00
  94   -0.593013E-05    0.524198E+02  0.113128E-06 0.125460E-04    0.981534E+00
  95    0.177680E-04    0.502638E+02 -0.353495E-06 0.141816E-04    0.986625E+00
  96    0.496741E-05    0.480617E+02 -0.103355E-06 0.125460E-04    0.986981E+00
  97    0.879335E-05    0.439294E+02 -0.200170E-06 0.125460E-04    0.983644E+00
  98   -0.701618E-05    0.396159E+02  0.177105E-06 0.125460E-04    0.985739E+00
  99   -0.805620E-05    0.379849E+02  0.212089E-06 0.125460E-04    0.978152E+00
 100    0.170399E-04    0.360288E+02 -0.472953E-06 0.125460E-04    0.986322E+00
 101   -0.429499E-04    0.344005E+02  0.124852E-05 0.125460E-04    0.983142E+00
 102    0.193668E-04    0.301576E+02 -0.642187E-06 0.125460E-04    0.986894E+00
 103    0.143733E-04    0.290613E+02 -0.494584E-06 0.141816E-04    0.984156E+00
 104    0.214130E-04    0.286834E+02 -0.746531E-06 0.125460E-04    0.986187E+00
 105    0.489841E-05    0.237912E+02 -0.205892E-06 0.125460E-04    0.967288E+00
 106    0.375074E-05    0.218516E+02 -0.171646E-06 0.125460E-04    0.997210E+00
 107   -0.403071E-04    0.197158E+02  0.204440E-05 0.141816E-04    0.982371E+00
 108   -0.608837E-04    0.163670E+02  0.371991E-05 0.125460E-04    0.988209E+00
 109    0.372637E-04    0.140088E+02 -0.266002E-05 0.125460E-04    0.986393E+00
 110    0.848253E-05    0.129169E+02 -0.656702E-06 0.125460E-04    0.964560E+00
 111   -0.465267E-04    0.119699E+02  0.388698E-05 0.125460E-04    0.980194E+00
 112    0.260401E-04    0.929142E+01 -0.280259E-05 0.125460E-04    0.991381E+00
 113   -0.911275E-04    0.750976E+01  0.121345E-04 0.125460E-04    0.985470E+00
 114    0.108194E+00    0.469664E+01  0.400000E-03 0.400000E-03    0.408194E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2302433635E-01

 Beginning of optimization cycle   37.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4017941168
 potential> RMS force:                                               0.0103093373   |gradient|=.1100736016    
 Eigenvalues of the Hessian matrix:
   715.77934    669.38336    621.75155    602.05531    589.42901    562.61943 
   559.20885    477.22078    471.68648    464.16289    441.75644    432.41801 
   419.88367    405.02155    398.59218    388.03371    366.94132    364.62723 
   353.36350    346.10980    324.81672    323.80350    319.06062    315.42650 
   305.42354    287.26581    280.13129    272.00747    265.89353    261.73271 
   257.68765    253.37225    245.02632    240.12122    233.66346    228.32210 
   225.84807    213.20682    211.25220    210.00453    202.80450    198.89735 
   195.15631    191.74200    186.56430    179.10798    170.70028    168.12455 
   165.83292    160.74723    154.13472    151.08372    148.15051    142.26083 
   136.86200    134.45444    131.04100    127.72683    125.50772    124.07528 
   119.44195    118.03941    116.13740    113.03551    110.57930    105.81365 
   102.86106    100.76932     97.20063     94.99112     91.72465     90.28909 
    87.48468     84.42293     80.93814     78.97225     78.71839     73.19771 
    71.14088     69.92001     67.43983     63.81606     62.45693     59.65516 
    58.38428     55.85646     53.69703     52.41767     50.26472     48.06091 
    43.92523     39.61924     37.97732     36.03182     34.40471     30.14764 
    29.06012     28.68389     23.78549     21.85212     19.71162     16.37223 
    14.00595     12.91153     11.96507      9.29342      7.51146      4.69958 
overlap for current and previous eigenvector    109 is         0.9999919397
overlap for current and previous eigenvector    110 is         0.9999912363
overlap for current and previous eigenvector    111 is         0.9999910195
overlap for current and previous eigenvector    112 is         0.9999996479
overlap for current and previous eigenvector    113 is         0.9999992849
overlap for current and previous eigenvector    114 is         0.9999990425
J1,K1,R1,R2,RAT=   7   7    0.8245699749E-03     1.999012209        0.9990122086    
FOB,PFOB,DIAG,PSTEP=    0.3292754979E-06    0.3295472548E-06     715.7793448       -0.4604409920E-09
J1,K1,R1,R2,RAT=   8   8   -0.1786743847         2.178611754        0.8213256153    
FOB,PFOB,DIAG,PSTEP=   -0.6268022605E-07   -0.5317832414E-07     669.3833555        0.7944623820E-10
J1,K1,R1,R2,RAT=   9   9   -0.1619611444E-01     2.016101783        0.9838038856    
FOB,PFOB,DIAG,PSTEP=    0.3768297058E-06    0.3708235223E-06     621.7515546       -0.5964456551E-09
J1,K1,R1,R2,RAT=  10  10   -0.6590877153E-02     2.006505439        0.9934091228    
FOB,PFOB,DIAG,PSTEP=    0.9890949370E-06    0.9826183436E-06     602.0553108       -0.1632176154E-08
J1,K1,R1,R2,RAT=  11  11   -0.3821323066E-02     2.003797493        0.9961786769    
FOB,PFOB,DIAG,PSTEP=   -0.8022011642E-06   -0.7991473277E-06     589.4290097        0.1355815266E-08
J1,K1,R1,R2,RAT= 109 109   -0.1331795896E-01     2.013728638        0.9866820410    
FOB,PFOB,DIAG,PSTEP=    0.3775987486E-04    0.3726370032E-04     14.00594523       -0.2660016840E-05
J1,K1,R1,R2,RAT= 110 110   -0.3518627113E-01     2.036013997        0.9648137289    
FOB,PFOB,DIAG,PSTEP=    0.8780879863E-05    0.8482534575E-05     12.91153176       -0.6567017438E-06
J1,K1,R1,R2,RAT= 111 111   -0.1946762972E-01     2.020272396        0.9805323703    
FOB,PFOB,DIAG,PSTEP=   -0.4743214795E-04   -0.4652674679E-04     11.96507459        0.3886982266E-05
J1,K1,R1,R2,RAT= 112 112   -0.8250903139E-02     2.007821760        0.9917490969    
FOB,PFOB,DIAG,PSTEP=    0.2625498503E-04    0.2604008470E-04     9.293415772       -0.2802594224E-05
J1,K1,R1,R2,RAT= 113 113   -0.1423006723E-01     2.013776587        0.9857699328    
FOB,PFOB,DIAG,PSTEP=   -0.9242454782E-04   -0.9112750323E-04     7.511460030        0.1213454772E-04
J1,K1,R1,R2,RAT= 114 114    0.9995951709        -116.1103494        0.4048290648E-03
FOB,PFOB,DIAG,PSTEP=    0.1100734895        0.1081944189         4.699579094        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00001      0.00001      0.00000      0.00000      0.00001 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000     -0.00001 
     0.00002      0.00000      0.00000     -0.00001     -0.00001      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000      0.00001      0.00000 
     0.00000      0.00001     -0.00002      0.00001     -0.00002     -0.00001 
    -0.00001     -0.00001     -0.00001      0.00002      0.00004     -0.00002 
     0.00001      0.00002      0.00001     -0.00000      0.00004     -0.00006 
     0.00004      0.00001     -0.00005      0.00003     -0.00009      0.11007 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4330627173
 Log product of positive Hessian eigenvalues =          520.5089631750
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6995790943
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000035
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000085
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000010
 Unscaled step for mode   17=       -0.0000000008
 Unscaled step for mode   18=       -0.0000000046
 Unscaled step for mode   19=       -0.0000000085
 Unscaled step for mode   20=       -0.0000000135
 Unscaled step for mode   21=       -0.0000000060
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000041
 Unscaled step for mode   25=        0.0000000120
 Unscaled step for mode   26=       -0.0000000170
 Unscaled step for mode   27=       -0.0000000127
 Unscaled step for mode   28=       -0.0000000104
 Unscaled step for mode   29=        0.0000000085
 Unscaled step for mode   30=        0.0000000082
 Unscaled step for mode   31=        0.0000000015
 Unscaled step for mode   32=       -0.0000000015
 Unscaled step for mode   33=       -0.0000000075
 Unscaled step for mode   34=       -0.0000000034
 Unscaled step for mode   35=       -0.0000000229
 Unscaled step for mode   36=       -0.0000000025
 Unscaled step for mode   37=        0.0000000097
 Unscaled step for mode   38=        0.0000000064
 Unscaled step for mode   39=        0.0000000176
 Unscaled step for mode   40=       -0.0000000036
 Unscaled step for mode   41=       -0.0000000062
 Unscaled step for mode   42=        0.0000000033
 Unscaled step for mode   43=       -0.0000000035
 Unscaled step for mode   44=       -0.0000000006
 Unscaled step for mode   45=        0.0000000096
 Unscaled step for mode   46=        0.0000000067
 Unscaled step for mode   47=        0.0000000288
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000143
 Unscaled step for mode   50=        0.0000000139
 Unscaled step for mode   51=        0.0000000130
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000164
 Unscaled step for mode   54=       -0.0000000037
 Unscaled step for mode   55=       -0.0000000312
 Unscaled step for mode   56=        0.0000000121
 Unscaled step for mode   57=       -0.0000000060
 Unscaled step for mode   58=       -0.0000000275
 Unscaled step for mode   59=        0.0000000162
 Unscaled step for mode   60=        0.0000000274
 Unscaled step for mode   61=       -0.0000000221
 Unscaled step for mode   62=        0.0000000759
 Unscaled step for mode   63=       -0.0000000484
 Unscaled step for mode   64=       -0.0000000072
 Unscaled step for mode   65=       -0.0000000112
 Unscaled step for mode   66=       -0.0000000528
 Unscaled step for mode   67=       -0.0000000051
 Unscaled step for mode   68=        0.0000000139
 Unscaled step for mode   69=        0.0000000081
 Unscaled step for mode   70=        0.0000000168
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=       -0.0000000705
 Unscaled step for mode   73=        0.0000000156
 Unscaled step for mode   74=        0.0000000958
 Unscaled step for mode   75=        0.0000000471
 Unscaled step for mode   76=       -0.0000000761
 Unscaled step for mode   77=        0.0000000008
 Unscaled step for mode   78=        0.0000001436
 Unscaled step for mode   79=       -0.0000001876
 Unscaled step for mode   80=       -0.0000000327
 Unscaled step for mode   81=       -0.0000000478
 Unscaled step for mode   82=        0.0000000792
 Unscaled step for mode   83=        0.0000001066
 Unscaled step for mode   84=       -0.0000000608
 Unscaled step for mode   85=        0.0000001495
 Unscaled step for mode   86=        0.0000001907
 Unscaled step for mode   87=        0.0000000802
 Unscaled step for mode   88=        0.0000000149
 Unscaled step for mode   89=       -0.0000001841
 Unscaled step for mode   90=       -0.0000000828
 Unscaled step for mode   91=       -0.0000000237
 Unscaled step for mode   92=       -0.0000001829
 Unscaled step for mode   93=        0.0000003332
 Unscaled step for mode   94=       -0.0000001152
 Unscaled step for mode   95=        0.0000003581
 Unscaled step for mode   96=        0.0000001047
 Unscaled step for mode   97=        0.0000002034
 Unscaled step for mode   98=        0.0000001796
 Unscaled step for mode   99=        0.0000002167
 Unscaled step for mode  100=       -0.0000004793
 Unscaled step for mode  101=       -0.0000012690
 Unscaled step for mode  102=        0.0000006507
 Unscaled step for mode  103=       -0.0000005023
 Unscaled step for mode  104=       -0.0000007566
 Unscaled step for mode  105=       -0.0000002125
 Unscaled step for mode  106=        0.0000001720
 Unscaled step for mode  107=       -0.0000020803
 Unscaled step for mode  108=        0.0000037614
 Unscaled step for mode  109=       -0.0000026960
 Unscaled step for mode  110=       -0.0000006801
 Unscaled step for mode  111=        0.0000039642
 Unscaled step for mode  112=       -0.0000028251
 Unscaled step for mode  113=        0.0000123045
 Unscaled step for mode  114=        0.0234091539
 Largest modulus ratio of non-zero e/values=           152.3071174    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.496890E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.764363E-16    0.100781E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.139893E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.372098E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.893383E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.398268E-15    0.973436E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.329275E-06    0.715779E+03 -0.460024E-09 0.113027E-04    0.999012E+00
   8   -0.626802E-07    0.669383E+03  0.936388E-10 0.136751E-04    0.821326E+00
   9    0.376830E-06    0.621752E+03 -0.606078E-09 0.113027E-04    0.983804E+00
  10    0.989095E-06    0.602055E+03 -0.164286E-08 0.113027E-04    0.993409E+00
  11   -0.802201E-06    0.589429E+03  0.136098E-08 0.113027E-04    0.996179E+00
  12    0.194213E-05    0.562619E+03 -0.345194E-08 0.113027E-04    0.992475E+00
  13    0.199793E-05    0.559209E+03 -0.357278E-08 0.113027E-04    0.997533E+00
  14   -0.406311E-05    0.477221E+03  0.851411E-08 0.127762E-04    0.992868E+00
  15    0.133072E-05    0.471686E+03 -0.282119E-08 0.113027E-04    0.994100E+00
  16    0.454819E-06    0.464163E+03 -0.979869E-09 0.113027E-04    0.983196E+00
  17    0.348786E-06    0.441756E+03 -0.789544E-09 0.127762E-04    0.978563E+00
  18    0.201007E-05    0.432418E+03 -0.464845E-08 0.113027E-04    0.990765E+00
  19    0.354909E-05    0.419884E+03 -0.845256E-08 0.113027E-04    0.988641E+00
  20    0.545183E-05    0.405022E+03 -0.134606E-07 0.113027E-04    0.992171E+00
  21    0.237395E-05    0.398592E+03 -0.595583E-08 0.113027E-04    0.987032E+00
  22   -0.947220E-06    0.388034E+03  0.244108E-08 0.113027E-04    0.997773E+00
  23   -0.182578E-05    0.366941E+03  0.497567E-08 0.113027E-04    0.995813E+00
  24    0.148240E-05    0.364627E+03 -0.406552E-08 0.113027E-04    0.992888E+00
  25   -0.423789E-05    0.353364E+03  0.119930E-07 0.113027E-04    0.988079E+00
  26    0.587721E-05    0.346110E+03 -0.169808E-07 0.113027E-04    0.986822E+00
  27    0.411647E-05    0.324817E+03 -0.126732E-07 0.113027E-04    0.988034E+00
  28    0.335747E-05    0.323804E+03 -0.103689E-07 0.113027E-04    0.990272E+00
  29   -0.270080E-05    0.319061E+03  0.846483E-08 0.113027E-04    0.980232E+00
  30   -0.259673E-05    0.315427E+03  0.823244E-08 0.113027E-04    0.989672E+00
  31   -0.465896E-06    0.305424E+03  0.152541E-08 0.127762E-04    0.966696E+00
  32    0.421717E-06    0.287266E+03 -0.146804E-08 0.113027E-04    0.992772E+00
  33    0.210684E-05    0.280131E+03 -0.752090E-08 0.113027E-04    0.987217E+00
  34    0.926748E-06    0.272007E+03 -0.340707E-08 0.127762E-04    0.990142E+00
  35    0.609927E-05    0.265894E+03 -0.229388E-07 0.113027E-04    0.986412E+00
  36    0.653686E-06    0.261733E+03 -0.249753E-08 0.113027E-04    0.982692E+00
  37   -0.248804E-05    0.257688E+03  0.965526E-08 0.113027E-04    0.985869E+00
  38   -0.163370E-05    0.253372E+03  0.644781E-08 0.113027E-04    0.988153E+00
  39   -0.430064E-05    0.245026E+03  0.175517E-07 0.113027E-04    0.985828E+00
  40    0.862563E-06    0.240121E+03 -0.359220E-08 0.113027E-04    0.965504E+00
  41    0.143782E-05    0.233663E+03 -0.615338E-08 0.113027E-04    0.975236E+00
  42   -0.752564E-06    0.228322E+03  0.329606E-08 0.113027E-04    0.976974E+00
  43    0.786483E-06    0.225848E+03 -0.348235E-08 0.113027E-04    0.983869E+00
  44    0.136341E-06    0.213207E+03 -0.639477E-09 0.113027E-04    0.891555E+00
  45   -0.202514E-05    0.211252E+03  0.958638E-08 0.113027E-04    0.981825E+00
  46   -0.140472E-05    0.210005E+03  0.668900E-08 0.113027E-04    0.979074E+00
  47   -0.583668E-05    0.202804E+03  0.287798E-07 0.113027E-04    0.984387E+00
  48   -0.115971E-05    0.198897E+03  0.583071E-08 0.113027E-04    0.994743E+00
  49    0.278922E-05    0.195156E+03 -0.142922E-07 0.127762E-04    0.982591E+00
  50   -0.265694E-05    0.191742E+03  0.138569E-07 0.113027E-04    0.986749E+00
  51   -0.242547E-05    0.186564E+03  0.130007E-07 0.113027E-04    0.985373E+00
  52    0.403918E-06    0.179108E+03 -0.225516E-08 0.113027E-04    0.992147E+00
  53   -0.280111E-05    0.170700E+03  0.164095E-07 0.113027E-04    0.986059E+00
  54    0.614563E-06    0.168125E+03 -0.365540E-08 0.113027E-04    0.970643E+00
  55    0.517747E-05    0.165833E+03 -0.312210E-07 0.113027E-04    0.986050E+00
  56   -0.194224E-05    0.160747E+03  0.120825E-07 0.113027E-04    0.987428E+00
  57    0.922273E-06    0.154135E+03 -0.598355E-08 0.113027E-04    0.988001E+00
  58    0.415189E-05    0.151084E+03 -0.274807E-07 0.113027E-04    0.987261E+00
  59   -0.240729E-05    0.148151E+03  0.162490E-07 0.127762E-04    0.982880E+00
  60   -0.390313E-05    0.142261E+03  0.274364E-07 0.113027E-04    0.983391E+00
  61    0.301840E-05    0.136862E+03 -0.220543E-07 0.113027E-04    0.985822E+00
  62   -0.102100E-04    0.134454E+03  0.759363E-07 0.113027E-04    0.986695E+00
  63    0.633788E-05    0.131041E+03 -0.483656E-07 0.113027E-04    0.986594E+00
  64    0.916676E-06    0.127727E+03 -0.717685E-08 0.113027E-04    0.981786E+00
  65    0.140386E-05    0.125508E+03 -0.111855E-07 0.113027E-04    0.991588E+00
  66    0.654698E-05    0.124075E+03 -0.527662E-07 0.113027E-04    0.985588E+00
  67    0.614130E-06    0.119442E+03 -0.514166E-08 0.113027E-04    0.989277E+00
  68   -0.163911E-05    0.118039E+03  0.138861E-07 0.113027E-04    0.984348E+00
  69   -0.937077E-06    0.116137E+03  0.806869E-08 0.113027E-04    0.999048E+00
  70   -0.189410E-05    0.113036E+03  0.167567E-07 0.113027E-04    0.973087E+00
  71   -0.254771E-06    0.110579E+03  0.230396E-08 0.113027E-04    0.993428E+00
  72    0.746457E-05    0.105814E+03 -0.705445E-07 0.127762E-04    0.984602E+00
  73   -0.160853E-05    0.102861E+03  0.156379E-07 0.113027E-04    0.971819E+00
  74   -0.964891E-05    0.100769E+03  0.957524E-07 0.113027E-04    0.985149E+00
  75   -0.457719E-05    0.972006E+02  0.470901E-07 0.113027E-04    0.980272E+00
  76    0.723111E-05    0.949911E+02 -0.761241E-07 0.113027E-04    0.983846E+00
  77   -0.709258E-07    0.917246E+02  0.773247E-09 0.187025E-04    0.921188E+00
  78   -0.129660E-04    0.902891E+02  0.143605E-06 0.113027E-04    0.983046E+00
  79    0.164118E-04    0.874847E+02 -0.187597E-06 0.113027E-04    0.986056E+00
  80    0.276211E-05    0.844229E+02 -0.327176E-07 0.113027E-04    0.980617E+00
  81    0.386572E-05    0.809381E+02 -0.477614E-07 0.113027E-04    0.982710E+00
  82   -0.625227E-05    0.789722E+02  0.791704E-07 0.113027E-04    0.977810E+00
  83   -0.838880E-05    0.787184E+02  0.106567E-06 0.127762E-04    0.993388E+00
  84    0.445328E-05    0.731977E+02 -0.608391E-07 0.113027E-04    0.982824E+00
  85   -0.106345E-04    0.711409E+02  0.149484E-06 0.127762E-04    0.986037E+00
  86   -0.133348E-04    0.699200E+02  0.190715E-06 0.113027E-04    0.984382E+00
  87   -0.540714E-05    0.674398E+02  0.801772E-07 0.113027E-04    0.991588E+00
  88   -0.953861E-06    0.638161E+02  0.149470E-07 0.113027E-04    0.986136E+00
  89    0.114991E-04    0.624569E+02 -0.184112E-06 0.113027E-04    0.985025E+00
  90    0.494097E-05    0.596552E+02 -0.828255E-07 0.113027E-04    0.983504E+00
  91    0.138362E-05    0.583843E+02 -0.236985E-07 0.113027E-04    0.996604E+00
  92    0.102141E-04    0.558565E+02 -0.182864E-06 0.113027E-04    0.980509E+00
  93   -0.178915E-04    0.536970E+02  0.333194E-06 0.113027E-04    0.985848E+00
  94    0.603814E-05    0.524177E+02 -0.115193E-06 0.113027E-04    0.981785E+00
  95   -0.180009E-04    0.502647E+02  0.358123E-06 0.127762E-04    0.986892E+00
  96   -0.503084E-05    0.480609E+02  0.104676E-06 0.113027E-04    0.987231E+00
  97   -0.893477E-05    0.439252E+02  0.203409E-06 0.113027E-04    0.983915E+00
  98   -0.711455E-05    0.396192E+02  0.179573E-06 0.113027E-04    0.985980E+00
  99   -0.822995E-05    0.379773E+02  0.216707E-06 0.113027E-04    0.978428E+00
 100    0.172688E-04    0.360318E+02 -0.479266E-06 0.113027E-04    0.986569E+00
 101    0.436610E-04    0.344047E+02 -0.126904E-05 0.113027E-04    0.983445E+00
 102   -0.196156E-04    0.301476E+02  0.650651E-06 0.113027E-04    0.987151E+00
 103    0.145970E-04    0.290601E+02 -0.502305E-06 0.127762E-04    0.984431E+00
 104    0.217027E-04    0.286839E+02 -0.756616E-06 0.113027E-04    0.986473E+00
 105    0.505527E-05    0.237855E+02 -0.212536E-06 0.113027E-04    0.967971E+00
 106   -0.375936E-05    0.218521E+02  0.172036E-06 0.113027E-04    0.997702E+00
 107    0.410054E-04    0.197116E+02 -0.208026E-05 0.127762E-04    0.982671E+00
 108   -0.615827E-04    0.163722E+02  0.376141E-05 0.113027E-04    0.988522E+00
 109    0.377599E-04    0.140059E+02 -0.269599E-05 0.113027E-04    0.986682E+00
 110    0.878088E-05    0.129115E+02 -0.680080E-06 0.113027E-04    0.964814E+00
 111   -0.474321E-04    0.119651E+02  0.396422E-05 0.113027E-04    0.980532E+00
 112    0.262550E-04    0.929342E+01 -0.282512E-05 0.113027E-04    0.991749E+00
 113   -0.924245E-04    0.751146E+01  0.113027E-04 0.113027E-04    0.985770E+00
 114    0.110073E+00    0.469958E+01  0.400000E-03 0.400000E-03    0.404829E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2340915394E-01

 Beginning of optimization cycle   38.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4017497124
 potential> RMS force:                                               0.0104854379   |gradient|=.1119538409    
 Eigenvalues of the Hessian matrix:
   715.83784    669.40431    621.78080    602.08078    589.43600    562.64409 
   559.24591    477.23353    471.66496    464.14980    441.75177    432.40636 
   419.89093    405.03177    398.58893    388.04008    366.94053    364.61641 
   353.35187    346.06938    324.78340    323.80812    319.05741    315.44800 
   305.42327    287.26605    280.12901    271.99935    265.89055    261.73736 
   257.68568    253.37156    245.00998    240.11146    233.67123    228.32481 
   225.83010    213.19699    211.24636    210.00769    202.80562    198.89206 
   195.15909    191.73954    186.56424    179.09324    170.69872    168.12580 
   165.83152    160.74570    154.12718    151.08318    148.15717    142.26615 
   136.86291    134.45791    131.04081    127.72631    125.51097    124.08395 
   119.44110    118.03742    116.14151    113.03017    110.57456    105.80963 
   102.85983    100.76540     97.20189     94.99183     91.71776     90.29339 
    87.49478     84.42321     80.93664     78.97255     78.71992     73.19514 
    71.14398     69.91185     67.44368     63.81000     62.45519     59.65549 
    58.38718     55.85548     53.69705     52.41554     50.26562     48.06012 
    43.92103     39.62257     37.96972     36.03490     34.40895     30.13768 
    29.05890     28.68441     23.77975     21.85266     19.70752     16.37747 
    14.00310     12.90618     11.96021      9.29541      7.51317      4.70248 
overlap for current and previous eigenvector    109 is         0.9999920087
overlap for current and previous eigenvector    110 is         0.9999911783
overlap for current and previous eigenvector    111 is         0.9999909001
overlap for current and previous eigenvector    112 is         0.9999996473
overlap for current and previous eigenvector    113 is         0.9999992831
overlap for current and previous eigenvector    114 is         0.9999990454
J1,K1,R1,R2,RAT=   7   7    0.7227823749E-02     1.992608752        0.9926087525    
FOB,PFOB,DIAG,PSTEP=    0.3268953581E-06    0.3292754979E-06     715.8378373       -0.4600237493E-09
J1,K1,R1,R2,RAT=   8   8   -0.2474372927E-01     2.024681113        0.9752562707    
FOB,PFOB,DIAG,PSTEP=   -0.6423121715E-07   -0.6268022605E-07     669.4043132        0.9363875802E-10
J1,K1,R1,R2,RAT=   9   9    0.9056684526E-03     1.999000253        0.9990002530    
FOB,PFOB,DIAG,PSTEP=    0.3764884070E-06    0.3768297058E-06     621.7808028       -0.6060776254E-09
J1,K1,R1,R2,RAT=  10  10   -0.8726789608E-02     2.008642185        0.9912732104    
FOB,PFOB,DIAG,PSTEP=    0.9977269256E-06    0.9890949370E-06     602.0807802       -0.1642863902E-08
J1,K1,R1,R2,RAT=  11  11   -0.5328403843E-02     2.005304683        0.9946715962    
FOB,PFOB,DIAG,PSTEP=   -0.8064756667E-06   -0.8022011642E-06     589.4360007        0.1360980120E-08
J1,K1,R1,R2,RAT= 109 109   -0.1266235789E-01     2.013069256        0.9873376421    
FOB,PFOB,DIAG,PSTEP=    0.3823790666E-04    0.3775987486E-04     14.00309632       -0.2695989041E-05
J1,K1,R1,R2,RAT= 110 110   -0.4391400968E-01     2.044742900        0.9560859903    
FOB,PFOB,DIAG,PSTEP=    0.9166323761E-05    0.8780879863E-05     12.90618285       -0.6800804139E-06
J1,K1,R1,R2,RAT= 111 111   -0.1802574541E-01     2.018838825        0.9819742546    
FOB,PFOB,DIAG,PSTEP=   -0.4828680033E-04   -0.4743214795E-04     11.96021229        0.3964216654E-05
J1,K1,R1,R2,RAT= 112 112   -0.5649474499E-02     2.005221384        0.9943505255    
FOB,PFOB,DIAG,PSTEP=    0.2640334365E-04    0.2625498503E-04     9.295405408       -0.2825116800E-05
J1,K1,R1,R2,RAT= 113 113   -0.1061584361         2.282926325        0.8938415639    
FOB,PFOB,DIAG,PSTEP=   -0.1014394230E-03   -0.9242454782E-04     7.513165856        0.1130270081E-04
J1,K1,R1,R2,RAT= 114 114    0.9995950683        -118.0372341        0.4049317315E-03
FOB,PFOB,DIAG,PSTEP=    0.1119537208        0.1100734895         4.702482484        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00001     -0.00001     -0.00000     -0.00000     -0.00001 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00001 
     0.00000      0.00001     -0.00000      0.00001     -0.00000     -0.00001 
     0.00002      0.00000      0.00000     -0.00001     -0.00001      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00000      0.00001     -0.00002     -0.00001     -0.00002     -0.00001 
     0.00001      0.00001      0.00001      0.00002      0.00004     -0.00002 
     0.00001      0.00002      0.00001      0.00000     -0.00004     -0.00006 
     0.00004      0.00001     -0.00005      0.00003     -0.00010      0.11195 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4331531267
 Log product of positive Hessian eigenvalues =          520.5081763966
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7024824841
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000017
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000035
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000086
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000010
 Unscaled step for mode   17=       -0.0000000008
 Unscaled step for mode   18=       -0.0000000047
 Unscaled step for mode   19=       -0.0000000085
 Unscaled step for mode   20=       -0.0000000136
 Unscaled step for mode   21=       -0.0000000060
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000041
 Unscaled step for mode   25=        0.0000000121
 Unscaled step for mode   26=       -0.0000000172
 Unscaled step for mode   27=       -0.0000000128
 Unscaled step for mode   28=       -0.0000000105
 Unscaled step for mode   29=        0.0000000086
 Unscaled step for mode   30=        0.0000000083
 Unscaled step for mode   31=        0.0000000016
 Unscaled step for mode   32=       -0.0000000014
 Unscaled step for mode   33=       -0.0000000076
 Unscaled step for mode   34=       -0.0000000035
 Unscaled step for mode   35=       -0.0000000232
 Unscaled step for mode   36=       -0.0000000026
 Unscaled step for mode   37=        0.0000000098
 Unscaled step for mode   38=        0.0000000065
 Unscaled step for mode   39=        0.0000000178
 Unscaled step for mode   40=       -0.0000000037
 Unscaled step for mode   41=       -0.0000000063
 Unscaled step for mode   42=        0.0000000034
 Unscaled step for mode   43=       -0.0000000035
 Unscaled step for mode   44=       -0.0000000006
 Unscaled step for mode   45=        0.0000000097
 Unscaled step for mode   46=        0.0000000068
 Unscaled step for mode   47=        0.0000000292
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000145
 Unscaled step for mode   50=        0.0000000141
 Unscaled step for mode   51=        0.0000000132
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000166
 Unscaled step for mode   54=       -0.0000000038
 Unscaled step for mode   55=       -0.0000000316
 Unscaled step for mode   56=        0.0000000123
 Unscaled step for mode   57=       -0.0000000060
 Unscaled step for mode   58=       -0.0000000278
 Unscaled step for mode   59=        0.0000000164
 Unscaled step for mode   60=        0.0000000278
 Unscaled step for mode   61=        0.0000000224
 Unscaled step for mode   62=       -0.0000000769
 Unscaled step for mode   63=        0.0000000491
 Unscaled step for mode   64=        0.0000000073
 Unscaled step for mode   65=        0.0000000113
 Unscaled step for mode   66=        0.0000000535
 Unscaled step for mode   67=       -0.0000000052
 Unscaled step for mode   68=       -0.0000000141
 Unscaled step for mode   69=        0.0000000081
 Unscaled step for mode   70=        0.0000000172
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=       -0.0000000717
 Unscaled step for mode   73=       -0.0000000161
 Unscaled step for mode   74=       -0.0000000972
 Unscaled step for mode   75=        0.0000000479
 Unscaled step for mode   76=       -0.0000000773
 Unscaled step for mode   77=        0.0000000007
 Unscaled step for mode   78=        0.0000001458
 Unscaled step for mode   79=       -0.0000001901
 Unscaled step for mode   80=       -0.0000000333
 Unscaled step for mode   81=       -0.0000000486
 Unscaled step for mode   82=        0.0000000810
 Unscaled step for mode   83=        0.0000001071
 Unscaled step for mode   84=       -0.0000000620
 Unscaled step for mode   85=        0.0000001517
 Unscaled step for mode   86=        0.0000001936
 Unscaled step for mode   87=        0.0000000810
 Unscaled step for mode   88=        0.0000000150
 Unscaled step for mode   89=        0.0000001870
 Unscaled step for mode   90=       -0.0000000844
 Unscaled step for mode   91=       -0.0000000239
 Unscaled step for mode   92=       -0.0000001861
 Unscaled step for mode   93=        0.0000003380
 Unscaled step for mode   94=        0.0000001176
 Unscaled step for mode   95=        0.0000003629
 Unscaled step for mode   96=        0.0000001058
 Unscaled step for mode   97=       -0.0000002068
 Unscaled step for mode   98=       -0.0000001820
 Unscaled step for mode   99=       -0.0000002221
 Unscaled step for mode  100=       -0.0000004861
 Unscaled step for mode  101=       -0.0000012891
 Unscaled step for mode  102=        0.0000006604
 Unscaled step for mode  103=       -0.0000005104
 Unscaled step for mode  104=       -0.0000007679
 Unscaled step for mode  105=       -0.0000002181
 Unscaled step for mode  106=       -0.0000001759
 Unscaled step for mode  107=        0.0000021199
 Unscaled step for mode  108=        0.0000038018
 Unscaled step for mode  109=       -0.0000027307
 Unscaled step for mode  110=       -0.0000007102
 Unscaled step for mode  111=        0.0000040373
 Unscaled step for mode  112=       -0.0000028405
 Unscaled step for mode  113=        0.0000135016
 Unscaled step for mode  114=        0.0237938873
 Largest modulus ratio of non-zero e/values=           152.2255191    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.282652E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.205998E-15    0.100781E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.337648E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.921572E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.266200E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.117744E-14    0.973437E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.326895E-06    0.715838E+03 -0.456661E-09 0.101826E-04    0.992609E+00
   8   -0.642312E-07    0.669404E+03  0.959528E-10 0.123199E-04    0.975256E+00
   9    0.376488E-06    0.621781E+03 -0.605500E-09 0.101826E-04    0.999000E+00
  10    0.997727E-06    0.602081E+03 -0.165713E-08 0.101826E-04    0.991273E+00
  11   -0.806476E-06    0.589436E+03  0.136822E-08 0.101826E-04    0.994672E+00
  12    0.195177E-05    0.562644E+03 -0.346892E-08 0.101826E-04    0.995037E+00
  13    0.200783E-05    0.559246E+03 -0.359024E-08 0.101826E-04    0.995048E+00
  14   -0.409230E-05    0.477234E+03  0.857504E-08 0.115101E-04    0.992817E+00
  15    0.133241E-05    0.471665E+03 -0.282490E-08 0.101826E-04    0.998730E+00
  16    0.466987E-06    0.464150E+03 -0.100611E-08 0.101826E-04    0.973246E+00
  17    0.362829E-06    0.441752E+03 -0.821341E-09 0.115101E-04    0.959738E+00
  18    0.202514E-05    0.432406E+03 -0.468341E-08 0.101826E-04    0.992506E+00
  19    0.358973E-05    0.419891E+03 -0.854921E-08 0.101826E-04    0.988549E+00
  20    0.549681E-05    0.405032E+03 -0.135713E-07 0.101826E-04    0.991750E+00
  21    0.240587E-05    0.398589E+03 -0.603597E-08 0.101826E-04    0.986551E+00
  22   -0.943947E-06    0.388040E+03  0.243260E-08 0.101826E-04    0.996512E+00
  23   -0.183305E-05    0.366941E+03  0.499549E-08 0.101826E-04    0.996019E+00
  24    0.149298E-05    0.364616E+03 -0.409465E-08 0.101826E-04    0.992865E+00
  25   -0.428610E-05    0.353352E+03  0.121298E-07 0.101826E-04    0.988624E+00
  26    0.595343E-05    0.346069E+03 -0.172030E-07 0.101826E-04    0.987029E+00
  27    0.416227E-05    0.324783E+03 -0.128155E-07 0.101826E-04    0.988875E+00
  28    0.338537E-05    0.323808E+03 -0.104549E-07 0.101826E-04    0.991690E+00
  29   -0.274602E-05    0.319057E+03  0.860667E-08 0.101826E-04    0.983254E+00
  30   -0.262511E-05    0.315448E+03  0.832185E-08 0.101826E-04    0.989071E+00
  31   -0.475976E-06    0.305423E+03  0.155842E-08 0.115101E-04    0.978364E+00
  32    0.416247E-06    0.287266E+03 -0.144899E-08 0.101826E-04    0.987026E+00
  33    0.213390E-05    0.280129E+03 -0.761755E-08 0.101826E-04    0.987157E+00
  34    0.942300E-06    0.271999E+03 -0.346435E-08 0.115101E-04    0.983218E+00
  35    0.617456E-05    0.265891E+03 -0.232222E-07 0.101826E-04    0.987656E+00
  36    0.668861E-06    0.261737E+03 -0.255547E-08 0.101826E-04    0.976786E+00
  37   -0.251992E-05    0.257686E+03  0.977903E-08 0.101826E-04    0.987188E+00
  38   -0.164626E-05    0.253372E+03  0.649740E-08 0.101826E-04    0.992312E+00
  39   -0.436408E-05    0.245010E+03  0.178119E-07 0.101826E-04    0.985247E+00
  40    0.888129E-06    0.240111E+03 -0.369882E-08 0.101826E-04    0.970359E+00
  41    0.147419E-05    0.233671E+03 -0.630882E-08 0.101826E-04    0.974705E+00
  42   -0.768842E-06    0.228325E+03  0.336732E-08 0.101826E-04    0.978370E+00
  43    0.794116E-06    0.225830E+03 -0.351643E-08 0.101826E-04    0.990294E+00
  44    0.130002E-06    0.213197E+03 -0.609775E-09 0.101826E-04    0.953506E+00
  45   -0.205092E-05    0.211246E+03  0.970868E-08 0.101826E-04    0.987269E+00
  46   -0.142915E-05    0.210008E+03  0.680521E-08 0.101826E-04    0.982611E+00
  47   -0.591729E-05    0.202806E+03  0.291772E-07 0.101826E-04    0.986188E+00
  48   -0.116286E-05    0.198892E+03  0.584666E-08 0.101826E-04    0.997290E+00
  49    0.283439E-05    0.195159E+03 -0.145235E-07 0.115101E-04    0.983805E+00
  50   -0.269599E-05    0.191740E+03  0.140607E-07 0.101826E-04    0.985301E+00
  51   -0.245409E-05    0.186564E+03  0.131541E-07 0.101826E-04    0.988200E+00
  52    0.405691E-06    0.179093E+03 -0.226525E-08 0.101826E-04    0.995608E+00
  53   -0.283198E-05    0.170699E+03  0.165905E-07 0.101826E-04    0.988979E+00
  54    0.630533E-06    0.168126E+03 -0.375036E-08 0.101826E-04    0.974015E+00
  55    0.524370E-05    0.165832E+03 -0.316207E-07 0.101826E-04    0.987207E+00
  56   -0.197247E-05    0.160746E+03  0.122708E-07 0.101826E-04    0.984433E+00
  57    0.927327E-06    0.154127E+03 -0.601664E-08 0.101826E-04    0.994519E+00
  58    0.420739E-05    0.151083E+03 -0.278482E-07 0.101826E-04    0.986631E+00
  59   -0.243645E-05    0.148157E+03  0.164451E-07 0.115101E-04    0.987888E+00
  60   -0.395024E-05    0.142266E+03  0.277665E-07 0.101826E-04    0.987932E+00
  61   -0.306407E-05    0.136863E+03  0.223879E-07 0.101826E-04    0.984869E+00
  62    0.103422E-04    0.134458E+03 -0.769181E-07 0.101826E-04    0.987045E+00
  63   -0.642951E-05    0.131041E+03  0.490649E-07 0.101826E-04    0.985543E+00
  64   -0.932323E-06    0.127726E+03  0.729938E-08 0.101826E-04    0.982931E+00
  65   -0.142141E-05    0.125511E+03  0.113250E-07 0.101826E-04    0.987499E+00
  66   -0.664182E-05    0.124084E+03  0.535268E-07 0.101826E-04    0.985516E+00
  67    0.616707E-06    0.119441E+03 -0.516327E-08 0.101826E-04    0.995803E+00
  68    0.166455E-05    0.118037E+03 -0.141018E-07 0.101826E-04    0.984482E+00
  69   -0.935952E-06    0.116142E+03  0.805872E-08 0.101826E-04    0.998729E+00
  70   -0.193848E-05    0.113030E+03  0.171501E-07 0.101826E-04    0.976566E+00
  71   -0.252610E-06    0.110575E+03  0.228452E-08 0.101826E-04    0.991519E+00
  72    0.758959E-05    0.105810E+03 -0.717287E-07 0.115101E-04    0.983251E+00
  73    0.165147E-05    0.102860E+03 -0.160555E-07 0.101826E-04    0.973305E+00
  74    0.979662E-05    0.100765E+03 -0.972220E-07 0.101826E-04    0.984691E+00
  75   -0.465565E-05    0.972019E+02  0.478967E-07 0.101826E-04    0.982859E+00
  76    0.734582E-05    0.949918E+02 -0.773310E-07 0.101826E-04    0.984137E+00
  77   -0.630487E-07    0.917178E+02  0.687421E-09 0.168491E-04    0.888930E+00
  78   -0.131608E-04    0.902934E+02  0.145756E-06 0.101826E-04    0.984971E+00
  79    0.166342E-04    0.874948E+02 -0.190117E-06 0.101826E-04    0.986449E+00
  80    0.281429E-05    0.844232E+02 -0.333354E-07 0.101826E-04    0.981112E+00
  81    0.393482E-05    0.809366E+02 -0.486161E-07 0.101826E-04    0.982123E+00
  82   -0.639877E-05    0.789726E+02  0.810252E-07 0.101826E-04    0.976568E+00
  83   -0.843089E-05    0.787199E+02  0.107100E-06 0.115101E-04    0.994983E+00
  84    0.453637E-05    0.731951E+02 -0.619764E-07 0.101826E-04    0.981341E+00
  85   -0.107892E-04    0.711440E+02  0.151653E-06 0.115101E-04    0.985448E+00
  86   -0.135373E-04    0.699119E+02  0.193634E-06 0.101826E-04    0.984815E+00
  87   -0.546203E-05    0.674437E+02  0.809866E-07 0.101826E-04    0.989848E+00
  88   -0.955061E-06    0.638100E+02  0.149673E-07 0.101826E-04    0.998742E+00
  89   -0.116778E-04    0.624552E+02  0.186978E-06 0.101826E-04    0.984462E+00
  90    0.503668E-05    0.596555E+02 -0.844295E-07 0.101826E-04    0.980628E+00
  91    0.139294E-05    0.583872E+02 -0.238569E-07 0.101826E-04    0.993268E+00
  92    0.103958E-04    0.558555E+02 -0.186119E-06 0.101826E-04    0.982216E+00
  93   -0.181513E-04    0.536971E+02  0.338031E-06 0.101826E-04    0.985480E+00
  94   -0.616343E-05    0.524155E+02  0.117588E-06 0.101826E-04    0.979250E+00
  95   -0.182391E-04    0.502656E+02  0.362854E-06 0.115101E-04    0.986769E+00
  96   -0.508647E-05    0.480601E+02  0.105835E-06 0.101826E-04    0.988943E+00
  97    0.908179E-05    0.439210E+02 -0.206775E-06 0.101826E-04    0.983544E+00
  98    0.721097E-05    0.396226E+02 -0.181992E-06 0.101826E-04    0.986449E+00
  99    0.843318E-05    0.379697E+02 -0.222103E-06 0.101826E-04    0.975301E+00
 100    0.175155E-04    0.360349E+02 -0.486070E-06 0.101826E-04    0.985717E+00
 101    0.443568E-04    0.344090E+02 -0.128911E-05 0.101826E-04    0.984066E+00
 102   -0.199034E-04    0.301377E+02  0.660416E-06 0.101826E-04    0.985322E+00
 103    0.148311E-04    0.290589E+02 -0.510382E-06 0.115101E-04    0.983961E+00
 104    0.220270E-04    0.286844E+02 -0.767910E-06 0.101826E-04    0.985055E+00
 105    0.518567E-05    0.237798E+02 -0.218071E-06 0.101826E-04    0.974197E+00
 106    0.384409E-05    0.218527E+02 -0.175910E-06 0.101826E-04    0.977461E+00
 107   -0.417778E-04    0.197075E+02  0.211989E-05 0.115101E-04    0.981159E+00
 108   -0.622632E-04    0.163775E+02  0.380176E-05 0.101826E-04    0.988953E+00
 109    0.382379E-04    0.140031E+02 -0.273068E-05 0.101826E-04    0.987338E+00
 110    0.916632E-05    0.129062E+02 -0.710227E-06 0.101826E-04    0.956086E+00
 111   -0.482868E-04    0.119602E+02  0.403729E-05 0.101826E-04    0.981974E+00
 112    0.264033E-04    0.929541E+01 -0.284047E-05 0.101826E-04    0.994351E+00
 113   -0.101439E-03    0.751317E+01  0.101826E-04 0.101826E-04    0.893842E+00
 114    0.111954E+00    0.470248E+01  0.400000E-03 0.400000E-03    0.404932E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2379388731E-01

 Beginning of optimization cycle   39.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4017045557
 potential> RMS force:                                               0.0106616462   |gradient|=.1138352304    
 Eigenvalues of the Hessian matrix:
   715.89643    669.42528    621.80999    602.10597    589.44299    562.66864 
   559.28295    477.24635    471.64344    464.13671    441.74712    432.39465 
   419.89814    405.04197    398.58566    388.04642    366.93972    364.60562 
   353.34021    346.02888    324.75021    323.81272    319.05416    315.46941 
   305.42295    287.26631    280.12671    271.99121    265.88756    261.74200 
   257.68369    253.37090    244.99364    240.10161    233.67900    228.32750 
   225.81209    213.18722    211.24058    210.01069    202.80673    198.88674 
   195.16188    191.73710    186.56409    179.07852    170.69723    168.12698 
   165.83013    160.74417    154.11964    151.08262    148.16388    142.27148 
   136.86381    134.46137    131.04064    127.72579    125.51421    124.09260 
   119.44029    118.03546    116.14563    113.02480    110.56981    105.80563 
   102.85862    100.76146     97.20315     94.99257     91.71086     90.29771 
    87.50489     84.42349     80.93516     78.97291     78.72140     73.19256 
    71.14711     69.90370     67.44758     63.80396     62.45345     59.65581 
    58.39009     55.85454     53.69707     52.41342     50.26653     48.05936 
    43.91683     39.62591     37.96212     36.03804     34.41328     30.12774 
    29.05769     28.68492     23.77400     21.85320     19.70351     16.38269 
    14.00028     12.90083     11.95530      9.29739      7.51488      4.70535 
overlap for current and previous eigenvector    109 is         0.9999920822
overlap for current and previous eigenvector    110 is        -0.9999911257
overlap for current and previous eigenvector    111 is        -0.9999907915
overlap for current and previous eigenvector    112 is         0.9999996463
overlap for current and previous eigenvector    113 is         0.9999992805
overlap for current and previous eigenvector    114 is         0.9999990479
J1,K1,R1,R2,RAT=   7   7    0.9356975745E-02     1.990479344        0.9904793442    
FOB,PFOB,DIAG,PSTEP=    0.3238363559E-06    0.3268953581E-06     715.8964263       -0.4566611893E-09
J1,K1,R1,R2,RAT=   8   8    0.1273687115E-01     1.987200481        0.9872004808    
FOB,PFOB,DIAG,PSTEP=   -0.6341308679E-07   -0.6423121715E-07     669.4252822        0.9595279846E-10
J1,K1,R1,R2,RAT=   9   9    0.5982525726E-02     1.993923604        0.9939236042    
FOB,PFOB,DIAG,PSTEP=    0.3742359497E-06    0.3764884070E-06     621.8099875       -0.6055002105E-09
J1,K1,R1,R2,RAT=  10  10   -0.9329178564E-02     2.009245510        0.9906708214    
FOB,PFOB,DIAG,PSTEP=    0.1007035288E-05    0.9977269256E-06     602.1059689       -0.1657131333E-08
J1,K1,R1,R2,RAT=  11  11   -0.5793339978E-02     2.005769635        0.9942066600    
FOB,PFOB,DIAG,PSTEP=   -0.8111479098E-06   -0.8064756667E-06     589.4429871        0.1368215830E-08
J1,K1,R1,R2,RAT= 109 109   -0.1221907117E-01     2.012621785        0.9877809288    
FOB,PFOB,DIAG,PSTEP=    0.3870504430E-04    0.3823790666E-04     14.00027726       -0.2730675116E-05
J1,K1,R1,R2,RAT= 110 110     2.047258514       -0.4642851623E-01    0.9535714838    
FOB,PFOB,DIAG,PSTEP=   -0.9591726031E-05    0.9166323761E-05     12.90082902       -0.7102273280E-06
J1,K1,R1,R2,RAT= 111 111     2.018103410       -0.1728245530E-01    0.9827175447    
FOB,PFOB,DIAG,PSTEP=    0.4912097238E-04   -0.4828680033E-04     11.95530491        0.4037286225E-05
J1,K1,R1,R2,RAT= 112 112   -0.4493451935E-02     2.004066732        0.9955065481    
FOB,PFOB,DIAG,PSTEP=    0.2652201113E-04    0.2640334365E-04     9.297389099       -0.2840472523E-05
J1,K1,R1,R2,RAT= 113 113   -0.2475736023         2.898852651        0.7524263977    
FOB,PFOB,DIAG,PSTEP=   -0.1203840327E-03   -0.1014394230E-03     7.514880401        0.1018261334E-04
J1,K1,R1,R2,RAT= 114 114    0.9995905636        -119.9637821        0.4094363926E-03
FOB,PFOB,DIAG,PSTEP=    0.1138350917        0.1119537208         4.705353746        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00001     -0.00001     -0.00000     -0.00000     -0.00001 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00001 
     0.00000      0.00001      0.00000     -0.00001     -0.00000     -0.00001 
     0.00002      0.00000      0.00000     -0.00001     -0.00001      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00000     -0.00001      0.00002     -0.00001      0.00002      0.00001 
     0.00001      0.00001     -0.00001     -0.00002      0.00005     -0.00002 
     0.00002      0.00002      0.00001      0.00000     -0.00004     -0.00006 
     0.00004     -0.00001      0.00005      0.00003     -0.00012      0.11384 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4332400627
 Log product of positive Hessian eigenvalues =          520.5073907322
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7053537460
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000017
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000035
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000086
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000010
 Unscaled step for mode   17=       -0.0000000009
 Unscaled step for mode   18=       -0.0000000047
 Unscaled step for mode   19=       -0.0000000086
 Unscaled step for mode   20=       -0.0000000137
 Unscaled step for mode   21=       -0.0000000061
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000041
 Unscaled step for mode   25=        0.0000000123
 Unscaled step for mode   26=       -0.0000000174
 Unscaled step for mode   27=       -0.0000000130
 Unscaled step for mode   28=       -0.0000000105
 Unscaled step for mode   29=        0.0000000087
 Unscaled step for mode   30=        0.0000000084
 Unscaled step for mode   31=        0.0000000016
 Unscaled step for mode   32=       -0.0000000014
 Unscaled step for mode   33=       -0.0000000077
 Unscaled step for mode   34=       -0.0000000035
 Unscaled step for mode   35=       -0.0000000235
 Unscaled step for mode   36=       -0.0000000026
 Unscaled step for mode   37=        0.0000000099
 Unscaled step for mode   38=        0.0000000065
 Unscaled step for mode   39=        0.0000000181
 Unscaled step for mode   40=       -0.0000000038
 Unscaled step for mode   41=       -0.0000000065
 Unscaled step for mode   42=        0.0000000034
 Unscaled step for mode   43=       -0.0000000035
 Unscaled step for mode   44=       -0.0000000006
 Unscaled step for mode   45=        0.0000000098
 Unscaled step for mode   46=        0.0000000069
 Unscaled step for mode   47=        0.0000000296
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000148
 Unscaled step for mode   50=        0.0000000143
 Unscaled step for mode   51=        0.0000000133
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000168
 Unscaled step for mode   54=       -0.0000000038
 Unscaled step for mode   55=       -0.0000000320
 Unscaled step for mode   56=        0.0000000125
 Unscaled step for mode   57=       -0.0000000060
 Unscaled step for mode   58=       -0.0000000282
 Unscaled step for mode   59=        0.0000000166
 Unscaled step for mode   60=        0.0000000281
 Unscaled step for mode   61=        0.0000000227
 Unscaled step for mode   62=       -0.0000000779
 Unscaled step for mode   63=        0.0000000498
 Unscaled step for mode   64=        0.0000000074
 Unscaled step for mode   65=        0.0000000115
 Unscaled step for mode   66=        0.0000000543
 Unscaled step for mode   67=       -0.0000000052
 Unscaled step for mode   68=       -0.0000000143
 Unscaled step for mode   69=        0.0000000080
 Unscaled step for mode   70=       -0.0000000175
 Unscaled step for mode   71=       -0.0000000023
 Unscaled step for mode   72=        0.0000000730
 Unscaled step for mode   73=       -0.0000000165
 Unscaled step for mode   74=       -0.0000000987
 Unscaled step for mode   75=       -0.0000000487
 Unscaled step for mode   76=        0.0000000785
 Unscaled step for mode   77=        0.0000000006
 Unscaled step for mode   78=        0.0000001478
 Unscaled step for mode   79=       -0.0000001926
 Unscaled step for mode   80=       -0.0000000340
 Unscaled step for mode   81=       -0.0000000495
 Unscaled step for mode   82=        0.0000000829
 Unscaled step for mode   83=        0.0000001075
 Unscaled step for mode   84=       -0.0000000632
 Unscaled step for mode   85=        0.0000001539
 Unscaled step for mode   86=        0.0000001965
 Unscaled step for mode   87=        0.0000000818
 Unscaled step for mode   88=        0.0000000149
 Unscaled step for mode   89=       -0.0000001899
 Unscaled step for mode   90=        0.0000000861
 Unscaled step for mode   91=        0.0000000240
 Unscaled step for mode   92=        0.0000001893
 Unscaled step for mode   93=       -0.0000003429
 Unscaled step for mode   94=        0.0000001201
 Unscaled step for mode   95=       -0.0000003676
 Unscaled step for mode   96=       -0.0000001069
 Unscaled step for mode   97=       -0.0000002102
 Unscaled step for mode   98=       -0.0000001844
 Unscaled step for mode   99=        0.0000002278
 Unscaled step for mode  100=        0.0000004930
 Unscaled step for mode  101=       -0.0000013090
 Unscaled step for mode  102=        0.0000006706
 Unscaled step for mode  103=       -0.0000005186
 Unscaled step for mode  104=       -0.0000007796
 Unscaled step for mode  105=       -0.0000002233
 Unscaled step for mode  106=       -0.0000001809
 Unscaled step for mode  107=        0.0000021609
 Unscaled step for mode  108=        0.0000038411
 Unscaled step for mode  109=       -0.0000027646
 Unscaled step for mode  110=        0.0000007435
 Unscaled step for mode  111=       -0.0000041087
 Unscaled step for mode  112=       -0.0000028526
 Unscaled step for mode  113=        0.0000160194
 Unscaled step for mode  114=        0.0241785315
 Largest modulus ratio of non-zero e/values=           152.1450809    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.174882E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.368629E-17    0.100781E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.310548E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.768699E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.319487E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.102105E-15    0.973438E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.323836E-06    0.715896E+03 -0.452351E-09 0.100000E-04    0.990479E+00
   8   -0.634131E-07    0.669425E+03  0.947277E-10 0.110990E-04    0.987200E+00
   9    0.374236E-06    0.621810E+03 -0.601849E-09 0.100000E-04    0.993924E+00
  10    0.100704E-05    0.602106E+03 -0.167252E-08 0.100000E-04    0.990671E+00
  11   -0.811148E-06    0.589443E+03  0.137613E-08 0.100000E-04    0.994207E+00
  12    0.195993E-05    0.562669E+03 -0.348327E-08 0.100000E-04    0.995818E+00
  13    0.201913E-05    0.559283E+03 -0.361022E-08 0.100000E-04    0.994369E+00
  14   -0.412144E-05    0.477246E+03  0.863587E-08 0.103695E-04    0.992879E+00
  15    0.133220E-05    0.471643E+03 -0.282459E-08 0.100000E-04    0.999844E+00
  16    0.480555E-06    0.464137E+03 -0.103537E-08 0.100000E-04    0.970945E+00
  17    0.378921E-06    0.441747E+03 -0.857779E-09 0.103695E-04    0.955646E+00
  18    0.203927E-05    0.432395E+03 -0.471623E-08 0.100000E-04    0.993020E+00
  19    0.363075E-05    0.419898E+03 -0.864673E-08 0.100000E-04    0.988576E+00
  20    0.554252E-05    0.405042E+03 -0.136838E-07 0.100000E-04    0.991685E+00
  21    0.243842E-05    0.398586E+03 -0.611768E-08 0.100000E-04    0.986472E+00
  22   -0.940199E-06    0.388046E+03  0.242290E-08 0.100000E-04    0.995997E+00
  23   -0.184012E-05    0.366940E+03  0.501478E-08 0.100000E-04    0.996142E+00
  24    0.150360E-05    0.364606E+03 -0.412391E-08 0.100000E-04    0.992883E+00
  25   -0.433382E-05    0.353340E+03  0.122653E-07 0.100000E-04    0.988864E+00
  26    0.602992E-05    0.346029E+03 -0.174261E-07 0.100000E-04    0.987151E+00
  27    0.420727E-05    0.324750E+03 -0.129554E-07 0.100000E-04    0.989186E+00
  28    0.341149E-05    0.323813E+03 -0.105354E-07 0.100000E-04    0.992285E+00
  29   -0.278938E-05    0.319054E+03  0.874265E-08 0.100000E-04    0.984211E+00
  30   -0.265421E-05    0.315469E+03  0.841351E-08 0.100000E-04    0.988917E+00
  31   -0.484707E-06    0.305423E+03  0.158700E-08 0.103695E-04    0.981657E+00
  32    0.409895E-06    0.287266E+03 -0.142688E-08 0.100000E-04    0.984738E+00
  33    0.216118E-05    0.280127E+03 -0.771501E-08 0.100000E-04    0.987214E+00
  34    0.959992E-06    0.271991E+03 -0.352950E-08 0.103695E-04    0.981224E+00
  35    0.624775E-05    0.265888E+03 -0.234977E-07 0.100000E-04    0.988147E+00
  36    0.685415E-06    0.261742E+03 -0.261867E-08 0.100000E-04    0.975252E+00
  37   -0.255102E-05    0.257684E+03  0.989980E-08 0.100000E-04    0.987658E+00
  38   -0.165674E-05    0.253371E+03  0.653880E-08 0.100000E-04    0.993631E+00
  39   -0.442873E-05    0.244994E+03  0.180769E-07 0.100000E-04    0.985185E+00
  40    0.912942E-06    0.240102E+03 -0.380231E-08 0.100000E-04    0.972061E+00
  41    0.151124E-05    0.233679E+03 -0.646715E-08 0.100000E-04    0.974871E+00
  42   -0.784867E-06    0.228328E+03  0.343746E-08 0.100000E-04    0.979158E+00
  43    0.800291E-06    0.225812E+03 -0.354406E-08 0.100000E-04    0.992224E+00
  44    0.126783E-06    0.213187E+03 -0.594703E-09 0.100000E-04    0.975237E+00
  45   -0.207344E-05    0.211241E+03  0.981554E-08 0.100000E-04    0.989021E+00
  46   -0.145243E-05    0.210011E+03  0.691600E-08 0.100000E-04    0.983706E+00
  47   -0.599518E-05    0.202807E+03  0.295611E-07 0.100000E-04    0.986838E+00
  48   -0.116496E-05    0.198887E+03  0.585740E-08 0.100000E-04    0.998191E+00
  49    0.287893E-05    0.195162E+03 -0.147515E-07 0.103695E-04    0.984285E+00
  50   -0.273669E-05    0.191737E+03  0.142731E-07 0.100000E-04    0.984904E+00
  51   -0.248082E-05    0.186564E+03  0.132974E-07 0.100000E-04    0.989105E+00
  52    0.407120E-06    0.179079E+03 -0.227341E-08 0.100000E-04    0.996479E+00
  53   -0.286048E-05    0.170697E+03  0.167576E-07 0.100000E-04    0.989937E+00
  54    0.646076E-06    0.168127E+03 -0.384279E-08 0.100000E-04    0.975349E+00
  55    0.530825E-05    0.165830E+03 -0.320102E-07 0.100000E-04    0.987690E+00
  56   -0.200460E-05    0.160744E+03  0.124707E-07 0.100000E-04    0.983712E+00
  57    0.930622E-06    0.154120E+03 -0.603831E-08 0.100000E-04    0.996446E+00
  58    0.426392E-05    0.151083E+03 -0.282224E-07 0.100000E-04    0.986565E+00
  59   -0.246211E-05    0.148164E+03  0.166175E-07 0.103695E-04    0.989470E+00
  60   -0.399225E-05    0.142271E+03  0.280608E-07 0.100000E-04    0.989366E+00
  61   -0.311098E-05    0.136864E+03  0.227305E-07 0.100000E-04    0.984692E+00
  62    0.104739E-04    0.134461E+03 -0.778951E-07 0.100000E-04    0.987272E+00
  63   -0.652374E-05    0.131041E+03  0.497841E-07 0.100000E-04    0.985343E+00
  64   -0.947967E-06    0.127726E+03  0.742189E-08 0.100000E-04    0.983221E+00
  65   -0.144056E-05    0.125514E+03  0.114773E-07 0.100000E-04    0.986532E+00
  66   -0.673736E-05    0.124093E+03  0.542930E-07 0.100000E-04    0.985616E+00
  67    0.617873E-06    0.119440E+03 -0.517307E-08 0.100000E-04    0.998109E+00
  68    0.169012E-05    0.118035E+03 -0.143187E-07 0.100000E-04    0.984638E+00
  69   -0.933815E-06    0.116146E+03  0.804003E-08 0.100000E-04    0.997645E+00
  70    0.198134E-05    0.113025E+03 -0.175302E-07 0.100000E-04    0.977889E+00
  71    0.249122E-06    0.110570E+03 -0.225308E-08 0.100000E-04    0.986192E+00
  72   -0.771878E-05    0.105806E+03  0.729524E-07 0.103695E-04    0.982978E+00
  73    0.169438E-05    0.102859E+03 -0.164729E-07 0.100000E-04    0.974011E+00
  74    0.994646E-05    0.100761E+03 -0.987130E-07 0.100000E-04    0.984704E+00
  75    0.473130E-05    0.972031E+02 -0.486743E-07 0.100000E-04    0.983751E+00
  76   -0.746048E-05    0.949926E+02  0.785375E-07 0.100000E-04    0.984391E+00
  77   -0.508857E-07    0.917109E+02  0.554849E-09 0.151794E-04    0.807071E+00
  78   -0.133493E-04    0.902977E+02  0.147836E-06 0.100000E-04    0.985681E+00
  79    0.168551E-04    0.875049E+02 -0.192619E-06 0.100000E-04    0.986722E+00
  80    0.286665E-05    0.844235E+02 -0.339555E-07 0.100000E-04    0.981395E+00
  81    0.400512E-05    0.809352E+02 -0.494856E-07 0.100000E-04    0.982134E+00
  82   -0.654963E-05    0.789729E+02  0.829351E-07 0.100000E-04    0.976424E+00
  83   -0.846638E-05    0.787214E+02  0.107549E-06 0.103695E-04    0.995791E+00
  84    0.462244E-05    0.731926E+02 -0.631545E-07 0.100000E-04    0.981027E+00
  85   -0.109468E-04    0.711471E+02  0.153862E-06 0.103695E-04    0.985395E+00
  86   -0.137390E-04    0.699037E+02  0.196542E-06 0.100000E-04    0.985094E+00
  87   -0.551911E-05    0.674476E+02  0.818281E-07 0.100000E-04    0.989552E+00
  88   -0.952122E-06    0.638040E+02  0.149226E-07 0.100000E-04    0.996923E+00
  89    0.118597E-04    0.624535E+02 -0.189897E-06 0.100000E-04    0.984416E+00
  90   -0.513776E-05    0.596558E+02  0.861233E-07 0.100000E-04    0.979933E+00
  91   -0.140325E-05    0.583901E+02  0.240323E-07 0.100000E-04    0.992595E+00
  92   -0.105737E-04    0.558545E+02  0.189308E-06 0.100000E-04    0.982881E+00
  93    0.184136E-04    0.536971E+02 -0.342917E-06 0.100000E-04    0.985546E+00
  94   -0.629469E-05    0.524134E+02  0.120097E-06 0.100000E-04    0.978701E+00
  95    0.184779E-04    0.502665E+02 -0.367599E-06 0.103695E-04    0.986907E+00
  96    0.513923E-05    0.480594E+02 -0.106935E-06 0.100000E-04    0.989625E+00
  97    0.923117E-05    0.439168E+02 -0.210197E-06 0.100000E-04    0.983550E+00
  98    0.730639E-05    0.396259E+02 -0.184384E-06 0.100000E-04    0.986768E+00
  99   -0.864802E-05    0.379621E+02  0.227807E-06 0.100000E-04    0.974520E+00
 100   -0.177664E-04    0.360380E+02  0.492990E-06 0.100000E-04    0.985675E+00
 101    0.450481E-04    0.344133E+02 -0.130903E-05 0.100000E-04    0.984416E+00
 102   -0.202033E-04    0.301277E+02  0.670589E-06 0.100000E-04    0.984926E+00
 103    0.150688E-04    0.290577E+02 -0.518582E-06 0.103695E-04    0.983975E+00
 104    0.223621E-04    0.286849E+02 -0.779578E-06 0.100000E-04    0.984788E+00
 105    0.530977E-05    0.237740E+02 -0.223343E-06 0.100000E-04    0.976065E+00
 106    0.395374E-05    0.218532E+02 -0.180923E-06 0.100000E-04    0.971477E+00
 107   -0.425771E-04    0.197035E+02  0.216089E-05 0.103695E-04    0.980865E+00
 108   -0.629280E-04    0.163827E+02  0.384113E-05 0.100000E-04    0.989326E+00
 109    0.387050E-04    0.140003E+02 -0.276459E-05 0.100000E-04    0.987781E+00
 110   -0.959173E-05    0.129008E+02  0.743497E-06 0.100000E-04    0.953571E+00
 111    0.491210E-04    0.119553E+02 -0.410872E-05 0.100000E-04    0.982718E+00
 112    0.265220E-04    0.929739E+01 -0.285263E-05 0.100000E-04    0.995507E+00
 113   -0.120384E-03    0.751488E+01  0.100000E-04 0.100000E-04    0.752426E+00
 114    0.113835E+00    0.470535E+01  0.400000E-03 0.400000E-03    0.409436E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2417853145E-01

 Beginning of optimization cycle   40.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4016586464
 potential> RMS force:                                               0.0108379601   |gradient|=.1157177480    
 Eigenvalues of the Hessian matrix:
   715.95505    669.44621    621.83906    602.13098    589.44988    562.69313 
   559.32001    477.25922    471.62189    464.12362    441.74249    432.38295 
   419.90536    405.05217    398.58237    388.05273    366.93893    364.59485 
   353.32857    345.98836    324.71713    323.81731    319.05085    315.49079 
   305.42260    287.26659    280.12439    271.98307    265.88460    261.74670 
   257.68175    253.37028    244.97730    240.09175    233.68682    228.33020 
   225.79405    213.17753    211.23489    210.01355    202.80786    198.88142 
   195.16470    191.73468    186.56385    179.06380    170.69580    168.12812 
   165.82875    160.74262    154.11213    151.08207    148.17062    142.27679 
   136.86470    134.46484    131.04046    127.72527    125.51745    124.10123 
   119.43949    118.03352    116.14976    113.01939    110.56502    105.80164 
   102.85744    100.75751     97.20438     94.99331     91.70397     90.30205 
    87.51503     84.42379     80.93370     78.97332     78.72282     73.18997 
    71.15026     69.89555     67.45150     63.79796     62.45167     59.65612 
    58.39302     55.85361     53.69706     52.41132     50.26742     48.05861 
    43.91262     39.62925     37.95452     36.04118     34.41767     30.11782 
    29.05647     28.68544     23.76825     21.85376     19.69958     16.38787 
    13.99748     12.89547     11.95034      9.29937      7.51658      4.70819 
overlap for current and previous eigenvector    109 is        -0.9999921427
overlap for current and previous eigenvector    110 is         0.9999910530
overlap for current and previous eigenvector    111 is        -0.9999906463
overlap for current and previous eigenvector    112 is         0.9999996463
overlap for current and previous eigenvector    113 is        -0.9999992813
overlap for current and previous eigenvector    114 is        -0.9999990519
J1,K1,R1,R2,RAT=   7   7    0.3869446236E-02     1.995966798        0.9959667975    
FOB,PFOB,DIAG,PSTEP=    0.3225831859E-06    0.3238363559E-06     715.9550474       -0.4523508485E-09
J1,K1,R1,R2,RAT=   8   8   -0.1067664784         2.106703945        0.8932335216    
FOB,PFOB,DIAG,PSTEP=   -0.7018369044E-07   -0.6341308679E-07     669.4462136        0.9472765441E-10
J1,K1,R1,R2,RAT=   9   9   -0.9687773899E-02     2.009594264        0.9903122261    
FOB,PFOB,DIAG,PSTEP=    0.3778616325E-06    0.3742359497E-06     621.8390615       -0.6018493708E-09
J1,K1,R1,R2,RAT=  10  10   -0.7155172865E-02     2.007072098        0.9928448271    
FOB,PFOB,DIAG,PSTEP=    0.1014241099E-05    0.1007035288E-05     602.1309799       -0.1672521682E-08
J1,K1,R1,R2,RAT=  11  11   -0.4293033966E-02     2.004269650        0.9957069660    
FOB,PFOB,DIAG,PSTEP=   -0.8146302360E-06   -0.8111479098E-06     589.4498789        0.1376126152E-08
J1,K1,R1,R2,RAT= 109 109     2.012669975       -0.1227008975E-01    0.9877299102    
FOB,PFOB,DIAG,PSTEP=   -0.3917986373E-04    0.3870504430E-04     13.99747857       -0.2764591270E-05
J1,K1,R1,R2,RAT= 110 110   -0.3817883690E-01     2.039009667        0.9618211631    
FOB,PFOB,DIAG,PSTEP=   -0.9957774912E-05   -0.9591726031E-05     12.89547205        0.7434968724E-06
J1,K1,R1,R2,RAT= 111 111     2.018758564       -0.1792787360E-01    0.9820721264    
FOB,PFOB,DIAG,PSTEP=   -0.5000124135E-04    0.4912097238E-04     11.95034139       -0.4108717658E-05
J1,K1,R1,R2,RAT= 112 112   -0.6068432933E-02     2.005642111        0.9939315671    
FOB,PFOB,DIAG,PSTEP=    0.2668299249E-04    0.2652201113E-04     9.299371362       -0.2852630007E-05
J1,K1,R1,R2,RAT= 113 113     3.490939858       -0.2877811446        0.7122188554    
FOB,PFOB,DIAG,PSTEP=    0.1420153397E-03   -0.1203840327E-03     7.516582443        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -121.8901594        0.9995849592        0.4150408131E-03
FOB,PFOB,DIAG,PSTEP=   -0.1157175849        0.1138350917         4.708187226        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00001      0.00001     -0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00001 
    -0.00000     -0.00001      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00000      0.00000      0.00001     -0.00001     -0.00000 
    -0.00001     -0.00001      0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000      0.00001      0.00002     -0.00001     -0.00002     -0.00001 
     0.00001      0.00001     -0.00001     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00002     -0.00001     -0.00000     -0.00004     -0.00006 
    -0.00004     -0.00001     -0.00005      0.00003      0.00014     -0.11572 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4333259215
 Log product of positive Hessian eigenvalues =          520.5065944896
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7081872260
 Unscaled step for mode    7=       -0.0000000005
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000017
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000035
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000087
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000011
 Unscaled step for mode   17=       -0.0000000009
 Unscaled step for mode   18=       -0.0000000048
 Unscaled step for mode   19=       -0.0000000087
 Unscaled step for mode   20=       -0.0000000138
 Unscaled step for mode   21=       -0.0000000062
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000042
 Unscaled step for mode   25=        0.0000000124
 Unscaled step for mode   26=       -0.0000000177
 Unscaled step for mode   27=       -0.0000000131
 Unscaled step for mode   28=       -0.0000000106
 Unscaled step for mode   29=        0.0000000089
 Unscaled step for mode   30=        0.0000000085
 Unscaled step for mode   31=        0.0000000016
 Unscaled step for mode   32=       -0.0000000014
 Unscaled step for mode   33=       -0.0000000078
 Unscaled step for mode   34=       -0.0000000036
 Unscaled step for mode   35=       -0.0000000238
 Unscaled step for mode   36=       -0.0000000027
 Unscaled step for mode   37=        0.0000000100
 Unscaled step for mode   38=        0.0000000066
 Unscaled step for mode   39=        0.0000000183
 Unscaled step for mode   40=       -0.0000000039
 Unscaled step for mode   41=       -0.0000000066
 Unscaled step for mode   42=        0.0000000035
 Unscaled step for mode   43=       -0.0000000036
 Unscaled step for mode   44=       -0.0000000005
 Unscaled step for mode   45=        0.0000000100
 Unscaled step for mode   46=        0.0000000071
 Unscaled step for mode   47=        0.0000000300
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000150
 Unscaled step for mode   50=        0.0000000145
 Unscaled step for mode   51=        0.0000000135
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000170
 Unscaled step for mode   54=        0.0000000039
 Unscaled step for mode   55=        0.0000000324
 Unscaled step for mode   56=        0.0000000126
 Unscaled step for mode   57=        0.0000000061
 Unscaled step for mode   58=        0.0000000286
 Unscaled step for mode   59=        0.0000000169
 Unscaled step for mode   60=        0.0000000285
 Unscaled step for mode   61=       -0.0000000231
 Unscaled step for mode   62=       -0.0000000789
 Unscaled step for mode   63=       -0.0000000504
 Unscaled step for mode   64=        0.0000000076
 Unscaled step for mode   65=        0.0000000116
 Unscaled step for mode   66=        0.0000000550
 Unscaled step for mode   67=       -0.0000000052
 Unscaled step for mode   68=        0.0000000145
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=       -0.0000000180
 Unscaled step for mode   71=       -0.0000000023
 Unscaled step for mode   72=        0.0000000741
 Unscaled step for mode   73=        0.0000000169
 Unscaled step for mode   74=        0.0000001001
 Unscaled step for mode   75=       -0.0000000496
 Unscaled step for mode   76=       -0.0000000798
 Unscaled step for mode   77=       -0.0000000006
 Unscaled step for mode   78=       -0.0000001501
 Unscaled step for mode   79=        0.0000001951
 Unscaled step for mode   80=       -0.0000000346
 Unscaled step for mode   81=       -0.0000000503
 Unscaled step for mode   82=       -0.0000000848
 Unscaled step for mode   83=        0.0000001081
 Unscaled step for mode   84=        0.0000000642
 Unscaled step for mode   85=        0.0000001560
 Unscaled step for mode   86=        0.0000001995
 Unscaled step for mode   87=       -0.0000000825
 Unscaled step for mode   88=        0.0000000150
 Unscaled step for mode   89=        0.0000001927
 Unscaled step for mode   90=        0.0000000876
 Unscaled step for mode   91=        0.0000000241
 Unscaled step for mode   92=       -0.0000001928
 Unscaled step for mode   93=       -0.0000003476
 Unscaled step for mode   94=        0.0000001223
 Unscaled step for mode   95=        0.0000003722
 Unscaled step for mode   96=        0.0000001082
 Unscaled step for mode   97=       -0.0000002135
 Unscaled step for mode   98=       -0.0000001868
 Unscaled step for mode   99=        0.0000002329
 Unscaled step for mode  100=        0.0000004994
 Unscaled step for mode  101=        0.0000013293
 Unscaled step for mode  102=        0.0000006795
 Unscaled step for mode  103=        0.0000005264
 Unscaled step for mode  104=        0.0000007900
 Unscaled step for mode  105=        0.0000002298
 Unscaled step for mode  106=        0.0000001827
 Unscaled step for mode  107=        0.0000021986
 Unscaled step for mode  108=        0.0000038802
 Unscaled step for mode  109=        0.0000027991
 Unscaled step for mode  110=        0.0000007722
 Unscaled step for mode  111=        0.0000041841
 Unscaled step for mode  112=       -0.0000028693
 Unscaled step for mode  113=       -0.0000188936
 Unscaled step for mode  114=       -0.0245631198
 Largest modulus ratio of non-zero e/values=           152.0659679    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.603250E-15    0.101875E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.197325E-16    0.100781E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.252743E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.160374E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.454064E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.466614E-16    0.973439E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.322583E-06    0.715955E+03 -0.450563E-09 0.100000E-04    0.995967E+00
   8   -0.701837E-07    0.669446E+03  0.104838E-09 0.100000E-04    0.893234E+00
   9    0.377862E-06    0.621839E+03 -0.607652E-09 0.100000E-04    0.990312E+00
  10    0.101424E-05    0.602131E+03 -0.168442E-08 0.100000E-04    0.992845E+00
  11   -0.814630E-06    0.589450E+03  0.138202E-08 0.100000E-04    0.995707E+00
  12    0.197249E-05    0.562693E+03 -0.350545E-08 0.100000E-04    0.993591E+00
  13    0.202546E-05    0.559320E+03 -0.362129E-08 0.100000E-04    0.996866E+00
  14   -0.414977E-05    0.477259E+03  0.869501E-08 0.100000E-04    0.993125E+00
  15    0.133754E-05    0.471622E+03 -0.283605E-08 0.100000E-04    0.995987E+00
  16    0.489961E-06    0.464124E+03 -0.105567E-08 0.100000E-04    0.980425E+00
  17    0.388951E-06    0.441742E+03 -0.880494E-09 0.100000E-04    0.973530E+00
  18    0.205647E-05    0.432383E+03 -0.475613E-08 0.100000E-04    0.991567E+00
  19    0.367120E-05    0.419905E+03 -0.874293E-08 0.100000E-04    0.988857E+00
  20    0.558539E-05    0.405052E+03 -0.137893E-07 0.100000E-04    0.992265E+00
  21    0.246967E-05    0.398582E+03 -0.619614E-08 0.100000E-04    0.987183E+00
  22   -0.937077E-06    0.388053E+03  0.241482E-08 0.100000E-04    0.996647E+00
  23   -0.184711E-05    0.366939E+03  0.503384E-08 0.100000E-04    0.996200E+00
  24    0.151395E-05    0.364595E+03 -0.415242E-08 0.100000E-04    0.993116E+00
  25   -0.438328E-05    0.353329E+03  0.124057E-07 0.100000E-04    0.988588E+00
  26    0.610726E-05    0.345988E+03 -0.176516E-07 0.100000E-04    0.987173E+00
  27    0.425527E-05    0.324717E+03 -0.131045E-07 0.100000E-04    0.988591E+00
  28    0.344066E-05    0.323817E+03 -0.106253E-07 0.100000E-04    0.991451E+00
  29   -0.284040E-05    0.319051E+03  0.890265E-08 0.100000E-04    0.981709E+00
  30   -0.268190E-05    0.315491E+03  0.850072E-08 0.100000E-04    0.989568E+00
  31   -0.498357E-06    0.305423E+03  0.163170E-08 0.100000E-04    0.971840E+00
  32    0.405399E-06    0.287267E+03 -0.141123E-08 0.100000E-04    0.989031E+00
  33    0.218815E-05    0.280124E+03 -0.781135E-08 0.100000E-04    0.987521E+00
  34    0.971810E-06    0.271983E+03 -0.357305E-08 0.100000E-04    0.987689E+00
  35    0.632725E-05    0.265885E+03 -0.237970E-07 0.100000E-04    0.987275E+00
  36    0.698593E-06    0.261747E+03 -0.266897E-08 0.100000E-04    0.980774E+00
  37   -0.258499E-05    0.257682E+03  0.100317E-07 0.100000E-04    0.986684E+00
  38   -0.167324E-05    0.253370E+03  0.660393E-08 0.100000E-04    0.990042E+00
  39   -0.449068E-05    0.244977E+03  0.183310E-07 0.100000E-04    0.986012E+00
  40    0.941583E-06    0.240092E+03 -0.392176E-08 0.100000E-04    0.968627E+00
  41    0.154761E-05    0.233687E+03 -0.662257E-08 0.100000E-04    0.975934E+00
  42   -0.801766E-06    0.228330E+03  0.351143E-08 0.100000E-04    0.978469E+00
  43    0.811143E-06    0.225794E+03 -0.359240E-08 0.100000E-04    0.986439E+00
  44    0.113226E-06    0.213178E+03 -0.531133E-09 0.100000E-04    0.893061E+00
  45   -0.210528E-05    0.211235E+03  0.996656E-08 0.100000E-04    0.984642E+00
  46   -0.148106E-05    0.210014E+03  0.705219E-08 0.100000E-04    0.980294E+00
  47   -0.608210E-05    0.202808E+03  0.299895E-07 0.100000E-04    0.985502E+00
  48   -0.116926E-05    0.198881E+03  0.587920E-08 0.100000E-04    0.996305E+00
  49    0.292643E-05    0.195165E+03 -0.149947E-07 0.100000E-04    0.983502E+00
  50   -0.277362E-05    0.191735E+03  0.144659E-07 0.100000E-04    0.986505E+00
  51   -0.251355E-05    0.186564E+03  0.134729E-07 0.100000E-04    0.986806E+00
  52    0.409736E-06    0.179064E+03 -0.228821E-08 0.100000E-04    0.993573E+00
  53   -0.289601E-05    0.170696E+03  0.169659E-07 0.100000E-04    0.987581E+00
  54   -0.663562E-06    0.168128E+03  0.394676E-08 0.100000E-04    0.972936E+00
  55   -0.537740E-05    0.165829E+03  0.324274E-07 0.100000E-04    0.986974E+00
  56   -0.203109E-05    0.160743E+03  0.126356E-07 0.100000E-04    0.986787E+00
  57   -0.939302E-06    0.154112E+03  0.609493E-08 0.100000E-04    0.990673E+00
  58   -0.431736E-05    0.151082E+03  0.285763E-07 0.100000E-04    0.987467E+00
  59   -0.249844E-05    0.148171E+03  0.168619E-07 0.100000E-04    0.985245E+00
  60   -0.404989E-05    0.142277E+03  0.284649E-07 0.100000E-04    0.985561E+00
  61    0.315484E-05    0.136865E+03 -0.230508E-07 0.100000E-04    0.985900E+00
  62    0.106068E-04    0.134465E+03 -0.788816E-07 0.100000E-04    0.987311E+00
  63    0.661080E-05    0.131040E+03 -0.504485E-07 0.100000E-04    0.986656E+00
  64   -0.964665E-06    0.127725E+03  0.755266E-08 0.100000E-04    0.982385E+00
  65   -0.145370E-05    0.125517E+03  0.115817E-07 0.100000E-04    0.990875E+00
  66   -0.683149E-05    0.124101E+03  0.550477E-07 0.100000E-04    0.986030E+00
  67    0.622518E-06    0.119439E+03 -0.521200E-08 0.100000E-04    0.992483E+00
  68   -0.171571E-05    0.118034E+03  0.145358E-07 0.100000E-04    0.984858E+00
  69    0.932850E-06    0.116150E+03 -0.803144E-08 0.100000E-04    0.998896E+00
  70    0.202995E-05    0.113019E+03 -0.179611E-07 0.100000E-04    0.975467E+00
  71    0.248873E-06    0.110565E+03 -0.225092E-08 0.100000E-04    0.998999E+00
  72   -0.783780E-05    0.105802E+03  0.740801E-07 0.100000E-04    0.984580E+00
  73   -0.173950E-05    0.102857E+03  0.169118E-07 0.100000E-04    0.973373E+00
  74   -0.100903E-04    0.100758E+03  0.100145E-06 0.100000E-04    0.985536E+00
  75    0.481744E-05    0.972044E+02 -0.495599E-07 0.100000E-04    0.981793E+00
  76    0.757580E-05    0.949933E+02 -0.797508E-07 0.100000E-04    0.984543E+00
  77    0.506365E-07    0.917040E+02 -0.552174E-09 0.136751E-04    0.995104E+00
  78    0.135585E-04    0.903021E+02 -0.150146E-06 0.100000E-04    0.984330E+00
  79   -0.170775E-04    0.875150E+02  0.195138E-06 0.100000E-04    0.986811E+00
  80    0.292002E-05    0.844238E+02 -0.345877E-07 0.100000E-04    0.981379E+00
  81    0.407263E-05    0.809337E+02 -0.503206E-07 0.100000E-04    0.983143E+00
  82    0.669372E-05    0.789733E+02 -0.847593E-07 0.100000E-04    0.977999E+00
  83   -0.850736E-05    0.787228E+02  0.108067E-06 0.100000E-04    0.995160E+00
  84   -0.470203E-05    0.731900E+02  0.642442E-07 0.100000E-04    0.982780E+00
  85   -0.110965E-04    0.711503E+02  0.155959E-06 0.100000E-04    0.986323E+00
  86   -0.139428E-04    0.698956E+02  0.199481E-06 0.100000E-04    0.985166E+00
  87    0.556480E-05    0.674515E+02 -0.825008E-07 0.100000E-04    0.991721E+00
  88   -0.959066E-06    0.637980E+02  0.150329E-07 0.100000E-04    0.992707E+00
  89   -0.120337E-04    0.624517E+02  0.192687E-06 0.100000E-04    0.985336E+00
  90   -0.522502E-05    0.596561E+02  0.875856E-07 0.100000E-04    0.983016E+00
  91   -0.140844E-05    0.583930E+02  0.241201E-07 0.100000E-04    0.996300E+00
  92    0.107662E-04    0.558536E+02 -0.192757E-06 0.100000E-04    0.981800E+00
  93    0.186645E-04    0.536971E+02 -0.347589E-06 0.100000E-04    0.986377E+00
  94   -0.641125E-05    0.524113E+02  0.122326E-06 0.100000E-04    0.981483E+00
  95   -0.187090E-04    0.502674E+02  0.372189E-06 0.100000E-04    0.987496E+00
  96   -0.519833E-05    0.480586E+02  0.108166E-06 0.100000E-04    0.988501E+00
  97    0.937555E-05    0.439126E+02 -0.213505E-06 0.100000E-04    0.984359E+00
  98    0.740282E-05    0.396292E+02 -0.186802E-06 0.100000E-04    0.986803E+00
  99   -0.883948E-05    0.379545E+02  0.232897E-06 0.100000E-04    0.977856E+00
 100   -0.179981E-04    0.360412E+02  0.499377E-06 0.100000E-04    0.986958E+00
 101   -0.457522E-04    0.344177E+02  0.132932E-05 0.100000E-04    0.984373E+00
 102   -0.204650E-04    0.301178E+02  0.679499E-06 0.100000E-04    0.987042E+00
 103   -0.152965E-04    0.290565E+02  0.526440E-06 0.100000E-04    0.984890E+00
 104   -0.226623E-04    0.286854E+02  0.790028E-06 0.100000E-04    0.986577E+00
 105   -0.546178E-05    0.237683E+02  0.229793E-06 0.100000E-04    0.971363E+00
 106   -0.399179E-05    0.218538E+02  0.182659E-06 0.100000E-04    0.990378E+00
 107   -0.433112E-04    0.196996E+02  0.219858E-05 0.100000E-04    0.982756E+00
 108   -0.635877E-04    0.163879E+02  0.388017E-05 0.100000E-04    0.989521E+00
 109   -0.391799E-04    0.139975E+02  0.279907E-05 0.100000E-04    0.987730E+00
 110   -0.995777E-05    0.128955E+02  0.772192E-06 0.100000E-04    0.961821E+00
 111   -0.500012E-04    0.119503E+02  0.418408E-05 0.100000E-04    0.982072E+00
 112    0.266830E-04    0.929937E+01 -0.286933E-05 0.100000E-04    0.993932E+00
 113    0.142015E-03    0.751658E+01 -0.100000E-04 0.100000E-04    0.712219E+00
 114   -0.115718E+00    0.470819E+01 -0.400000E-03 0.400000E-03    0.415041E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2456311985E-01

 Beginning of optimization cycle   41.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4016119842
 potential> RMS force:                                               0.0110143781   |gradient|=.1176013765    
 Eigenvalues of the Hessian matrix:
   716.01369    669.46710    621.86802    602.15583    589.45666    562.71756 
   559.35709    477.27214    471.60033    464.11056    441.73789    432.37127 
   419.91259    405.06239    398.57908    388.05902    366.93818    364.58409 
   353.31696    345.94783    324.68414    323.82192    319.04747    315.51213 
   305.42223    287.26689    280.12204    271.97496    265.88167    261.75144 
   257.67988    253.36969    244.96098    240.08188    233.69468    228.33290 
   225.77601    213.16793    211.22929    210.01627    202.80900    198.87610 
   195.16754    191.73229    186.56352    179.04907    170.69441    168.12922 
   165.82736    160.74104    154.10464    151.08152    148.17737    142.28209 
   136.86558    134.46832    131.04026    127.72474    125.52071    124.10984 
   119.43871    118.03160    116.15389    113.01393    110.56017    105.79765 
   102.85628    100.75354     97.20559     94.99405     91.69709     90.30641 
    87.52520     84.42411     80.93227     78.97377     78.72419     73.18737 
    71.15340     69.88740     67.45541     63.79200     62.44985     59.65643 
    58.39595     55.85269     53.69701     52.40923     50.26831     48.05786 
    43.90840     39.63258     37.94690     36.04430     34.42211     30.10790 
    29.05526     28.68595     23.76251     21.85432     19.69571     16.39302 
    13.99470     12.89011     11.94532      9.30135      7.51827      4.71098 
overlap for current and previous eigenvector    109 is        -0.9999922021
overlap for current and previous eigenvector    110 is         0.9999909775
overlap for current and previous eigenvector    111 is         0.9999904950
overlap for current and previous eigenvector    112 is         0.9999996465
overlap for current and previous eigenvector    113 is         0.9999992826
overlap for current and previous eigenvector    114 is         0.9999990562
J1,K1,R1,R2,RAT=   7   7    0.2996561648E-02     1.996839643        0.9968396431    
FOB,PFOB,DIAG,PSTEP=    0.3216164663E-06    0.3225831859E-06     716.0136872       -0.4505634636E-09
J1,K1,R1,R2,RAT=   8   8   -0.1186862260         2.118623837        0.8813137740    
FOB,PFOB,DIAG,PSTEP=   -0.7851378764E-07   -0.7018369044E-07     669.4670975        0.1048384307E-09
J1,K1,R1,R2,RAT=   9   9   -0.1265111541E-01     2.012557992        0.9873488846    
FOB,PFOB,DIAG,PSTEP=    0.3826422262E-06    0.3778616325E-06     621.8680167       -0.6076518120E-09
J1,K1,R1,R2,RAT=  10  10   -0.6678188006E-02     2.006595639        0.9933218120    
FOB,PFOB,DIAG,PSTEP=    0.1021014671E-05    0.1014241099E-05     602.1558335       -0.1684419391E-08
J1,K1,R1,R2,RAT=  11  11   -0.3906368301E-02     2.003883362        0.9960936317    
FOB,PFOB,DIAG,PSTEP=   -0.8178125184E-06   -0.8146302360E-06     589.4566594        0.1382017819E-08
J1,K1,R1,R2,RAT= 109 109     2.012524342       -0.1212704718E-01    0.9878729528    
FOB,PFOB,DIAG,PSTEP=    0.3965490542E-04   -0.3917986373E-04     13.99469856        0.2799065813E-05
J1,K1,R1,R2,RAT= 110 110   -0.3611136711E-01     2.036942848        0.9638886329    
FOB,PFOB,DIAG,PSTEP=   -0.1031721434E-04   -0.9957774912E-05     12.89011311        0.7721915780E-06
J1,K1,R1,R2,RAT= 111 111   -0.1784970819E-01     2.018690588        0.9821502918    
FOB,PFOB,DIAG,PSTEP=   -0.5089337383E-04   -0.5000124135E-04     11.94531910        0.4184084765E-05
J1,K1,R1,R2,RAT= 112 112   -0.6084925191E-02     2.005658810        0.9939150748    
FOB,PFOB,DIAG,PSTEP=    0.2684539110E-04    0.2668299249E-04     9.301353084       -0.2869332931E-05
J1,K1,R1,R2,RAT= 113 113   -0.3046846659         4.082558424        0.6953153341    
FOB,PFOB,DIAG,PSTEP=    0.1649223499E-03    0.1420153397E-03     7.518268148       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9995788570        -123.8164219        0.4211430377E-03
FOB,PFOB,DIAG,PSTEP=   -0.1176011841       -0.1157175849         4.710981903       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00001     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00001     -0.00001      0.00000      0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00001 
    -0.00000     -0.00001      0.00000      0.00001     -0.00000     -0.00001 
     0.00002     -0.00000      0.00000      0.00001      0.00001     -0.00000 
    -0.00001     -0.00001      0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000      0.00001      0.00002     -0.00001     -0.00002     -0.00001 
    -0.00001     -0.00001      0.00001      0.00002      0.00005     -0.00002 
    -0.00002     -0.00002     -0.00001     -0.00000      0.00004      0.00006 
     0.00004     -0.00001     -0.00005      0.00003      0.00016     -0.11760 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4334111290
 Log product of positive Hessian eigenvalues =          520.5057855283
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7109819025
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000017
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000035
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000088
 Unscaled step for mode   15=       -0.0000000028
 Unscaled step for mode   16=       -0.0000000011
 Unscaled step for mode   17=       -0.0000000009
 Unscaled step for mode   18=       -0.0000000048
 Unscaled step for mode   19=       -0.0000000088
 Unscaled step for mode   20=       -0.0000000139
 Unscaled step for mode   21=       -0.0000000063
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000042
 Unscaled step for mode   25=        0.0000000125
 Unscaled step for mode   26=       -0.0000000179
 Unscaled step for mode   27=       -0.0000000133
 Unscaled step for mode   28=       -0.0000000107
 Unscaled step for mode   29=        0.0000000091
 Unscaled step for mode   30=        0.0000000086
 Unscaled step for mode   31=        0.0000000017
 Unscaled step for mode   32=       -0.0000000014
 Unscaled step for mode   33=       -0.0000000079
 Unscaled step for mode   34=       -0.0000000036
 Unscaled step for mode   35=       -0.0000000241
 Unscaled step for mode   36=       -0.0000000027
 Unscaled step for mode   37=        0.0000000102
 Unscaled step for mode   38=        0.0000000067
 Unscaled step for mode   39=        0.0000000186
 Unscaled step for mode   40=       -0.0000000040
 Unscaled step for mode   41=       -0.0000000068
 Unscaled step for mode   42=        0.0000000036
 Unscaled step for mode   43=       -0.0000000036
 Unscaled step for mode   44=       -0.0000000005
 Unscaled step for mode   45=        0.0000000101
 Unscaled step for mode   46=        0.0000000072
 Unscaled step for mode   47=        0.0000000304
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000152
 Unscaled step for mode   50=        0.0000000147
 Unscaled step for mode   51=        0.0000000137
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000172
 Unscaled step for mode   54=        0.0000000041
 Unscaled step for mode   55=        0.0000000329
 Unscaled step for mode   56=        0.0000000128
 Unscaled step for mode   57=       -0.0000000062
 Unscaled step for mode   58=       -0.0000000289
 Unscaled step for mode   59=       -0.0000000171
 Unscaled step for mode   60=        0.0000000289
 Unscaled step for mode   61=        0.0000000234
 Unscaled step for mode   62=        0.0000000799
 Unscaled step for mode   63=        0.0000000511
 Unscaled step for mode   64=       -0.0000000077
 Unscaled step for mode   65=       -0.0000000117
 Unscaled step for mode   66=       -0.0000000558
 Unscaled step for mode   67=        0.0000000053
 Unscaled step for mode   68=        0.0000000148
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=       -0.0000000184
 Unscaled step for mode   71=       -0.0000000023
 Unscaled step for mode   72=        0.0000000752
 Unscaled step for mode   73=        0.0000000174
 Unscaled step for mode   74=        0.0000001016
 Unscaled step for mode   75=       -0.0000000505
 Unscaled step for mode   76=       -0.0000000810
 Unscaled step for mode   77=        0.0000000006
 Unscaled step for mode   78=        0.0000001525
 Unscaled step for mode   79=       -0.0000001977
 Unscaled step for mode   80=        0.0000000352
 Unscaled step for mode   81=       -0.0000000512
 Unscaled step for mode   82=       -0.0000000866
 Unscaled step for mode   83=       -0.0000001086
 Unscaled step for mode   84=        0.0000000653
 Unscaled step for mode   85=        0.0000001580
 Unscaled step for mode   86=        0.0000002024
 Unscaled step for mode   87=       -0.0000000831
 Unscaled step for mode   88=        0.0000000152
 Unscaled step for mode   89=        0.0000001954
 Unscaled step for mode   90=        0.0000000890
 Unscaled step for mode   91=        0.0000000242
 Unscaled step for mode   92=       -0.0000001963
 Unscaled step for mode   93=       -0.0000003522
 Unscaled step for mode   94=        0.0000001245
 Unscaled step for mode   95=        0.0000003767
 Unscaled step for mode   96=        0.0000001094
 Unscaled step for mode   97=        0.0000002168
 Unscaled step for mode   98=        0.0000001892
 Unscaled step for mode   99=       -0.0000002379
 Unscaled step for mode  100=       -0.0000005056
 Unscaled step for mode  101=       -0.0000013496
 Unscaled step for mode  102=        0.0000006881
 Unscaled step for mode  103=        0.0000005342
 Unscaled step for mode  104=        0.0000008002
 Unscaled step for mode  105=        0.0000002365
 Unscaled step for mode  106=        0.0000001837
 Unscaled step for mode  107=       -0.0000022356
 Unscaled step for mode  108=       -0.0000039187
 Unscaled step for mode  109=       -0.0000028336
 Unscaled step for mode  110=        0.0000008004
 Unscaled step for mode  111=        0.0000042605
 Unscaled step for mode  112=       -0.0000028862
 Unscaled step for mode  113=       -0.0000219362
 Unscaled step for mode  114=       -0.0249476634
 Largest modulus ratio of non-zero e/values=           151.9882059    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.399095E-15    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.818681E-15    0.100780E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.522694E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.367985E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.153870E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.608346E-15    0.973440E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.321616E-06    0.716014E+03 -0.449176E-09 0.100000E-04    0.996840E+00
   8   -0.785138E-07    0.669467E+03  0.117278E-09 0.100000E-04    0.881314E+00
   9    0.382642E-06    0.621868E+03 -0.615311E-09 0.100000E-04    0.987349E+00
  10    0.102101E-05    0.602156E+03 -0.169560E-08 0.100000E-04    0.993322E+00
  11   -0.817813E-06    0.589457E+03  0.138740E-08 0.100000E-04    0.996094E+00
  12    0.198584E-05    0.562718E+03 -0.352902E-08 0.100000E-04    0.993232E+00
  13    0.203068E-05    0.559357E+03 -0.363038E-08 0.100000E-04    0.997425E+00
  14   -0.417782E-05    0.477272E+03  0.875355E-08 0.100000E-04    0.993241E+00
  15    0.134394E-05    0.471600E+03 -0.284974E-08 0.100000E-04    0.995219E+00
  16    0.498688E-06    0.464111E+03 -0.107450E-08 0.100000E-04    0.982189E+00
  17    0.397909E-06    0.441738E+03 -0.900780E-09 0.100000E-04    0.976970E+00
  18    0.207417E-05    0.432371E+03 -0.479719E-08 0.100000E-04    0.991392E+00
  19    0.371161E-05    0.419913E+03 -0.883900E-08 0.100000E-04    0.988995E+00
  20    0.562745E-05    0.405062E+03 -0.138928E-07 0.100000E-04    0.992471E+00
  21    0.250065E-05    0.398579E+03 -0.627391E-08 0.100000E-04    0.987457E+00
  22   -0.933829E-06    0.388059E+03  0.240641E-08 0.100000E-04    0.996502E+00
  23   -0.185391E-05    0.366938E+03  0.505239E-08 0.100000E-04    0.996318E+00
  24    0.152409E-05    0.364584E+03 -0.418036E-08 0.100000E-04    0.993300E+00
  25   -0.443317E-05    0.353317E+03  0.125473E-07 0.100000E-04    0.988618E+00
  26    0.618500E-05    0.345948E+03 -0.178784E-07 0.100000E-04    0.987270E+00
  27    0.430413E-05    0.324684E+03 -0.132564E-07 0.100000E-04    0.988516E+00
  28    0.346985E-05    0.323822E+03 -0.107153E-07 0.100000E-04    0.991515E+00
  29   -0.289339E-05    0.319047E+03  0.906884E-08 0.100000E-04    0.981343E+00
  30   -0.270944E-05    0.315512E+03  0.858745E-08 0.100000E-04    0.989729E+00
  31   -0.513108E-06    0.305422E+03  0.168000E-08 0.100000E-04    0.970400E+00
  32    0.401129E-06    0.287267E+03 -0.139636E-08 0.100000E-04    0.989464E+00
  33    0.221511E-05    0.280122E+03 -0.790766E-08 0.100000E-04    0.987680E+00
  34    0.982466E-06    0.271975E+03 -0.361234E-08 0.100000E-04    0.989035E+00
  35    0.640827E-05    0.265882E+03 -0.241020E-07 0.100000E-04    0.987194E+00
  36    0.711283E-06    0.261751E+03 -0.271740E-08 0.100000E-04    0.981835E+00
  37   -0.261965E-05    0.257680E+03  0.101663E-07 0.100000E-04    0.986590E+00
  38   -0.169089E-05    0.253370E+03  0.667360E-08 0.100000E-04    0.989453E+00
  39   -0.455222E-05    0.244961E+03  0.185834E-07 0.100000E-04    0.986295E+00
  40    0.971462E-06    0.240082E+03 -0.404638E-08 0.100000E-04    0.968266E+00
  41    0.158433E-05    0.233695E+03 -0.677950E-08 0.100000E-04    0.976270E+00
  42   -0.819124E-06    0.228333E+03  0.358741E-08 0.100000E-04    0.978350E+00
  43    0.822967E-06    0.225776E+03 -0.364506E-08 0.100000E-04    0.985422E+00
  44    0.971058E-07    0.213168E+03 -0.455537E-09 0.100000E-04    0.857624E+00
  45   -0.213892E-05    0.211229E+03  0.101261E-07 0.100000E-04    0.984021E+00
  46   -0.151139E-05    0.210016E+03  0.719653E-08 0.100000E-04    0.979519E+00
  47   -0.617115E-05    0.202809E+03  0.304284E-07 0.100000E-04    0.985359E+00
  48   -0.117378E-05    0.198876E+03  0.590208E-08 0.100000E-04    0.996135E+00
  49    0.297475E-05    0.195168E+03 -0.152421E-07 0.100000E-04    0.983487E+00
  50   -0.280972E-05    0.191732E+03  0.146544E-07 0.100000E-04    0.986985E+00
  51   -0.254743E-05    0.186564E+03  0.136545E-07 0.100000E-04    0.986524E+00
  52    0.412438E-06    0.179049E+03 -0.230349E-08 0.100000E-04    0.993405E+00
  53   -0.293283E-05    0.170694E+03  0.171817E-07 0.100000E-04    0.987286E+00
  54   -0.681677E-06    0.168129E+03  0.405448E-08 0.100000E-04    0.972700E+00
  55   -0.544758E-05    0.165827E+03  0.328509E-07 0.100000E-04    0.986949E+00
  56   -0.205653E-05    0.160741E+03  0.127941E-07 0.100000E-04    0.987472E+00
  57    0.948922E-06    0.154105E+03 -0.615764E-08 0.100000E-04    0.989758E+00
  58    0.437022E-05    0.151082E+03 -0.289262E-07 0.100000E-04    0.987757E+00
  59    0.253688E-05    0.148177E+03 -0.171206E-07 0.100000E-04    0.984616E+00
  60   -0.411063E-05    0.142282E+03  0.288907E-07 0.100000E-04    0.985003E+00
  61   -0.319815E-05    0.136866E+03  0.233671E-07 0.100000E-04    0.986273E+00
  62   -0.107398E-04    0.134468E+03  0.798687E-07 0.100000E-04    0.987461E+00
  63   -0.669638E-05    0.131040E+03  0.511017E-07 0.100000E-04    0.987054E+00
  64    0.981564E-06    0.127725E+03 -0.768500E-08 0.100000E-04    0.982482E+00
  65    0.146546E-05    0.125521E+03 -0.116751E-07 0.100000E-04    0.991912E+00
  66    0.692545E-05    0.124110E+03 -0.558010E-07 0.100000E-04    0.986246E+00
  67   -0.627878E-06    0.119439E+03  0.525690E-08 0.100000E-04    0.991390E+00
  68   -0.174137E-05    0.118032E+03  0.147534E-07 0.100000E-04    0.985043E+00
  69    0.931924E-06    0.116154E+03 -0.802319E-08 0.100000E-04    0.998937E+00
  70    0.208018E-05    0.113014E+03 -0.184064E-07 0.100000E-04    0.975251E+00
  71    0.249123E-06    0.110560E+03 -0.225328E-08 0.100000E-04    0.998995E+00
  72   -0.795506E-05    0.105798E+03  0.751912E-07 0.100000E-04    0.985039E+00
  73   -0.178558E-05    0.102856E+03  0.173600E-07 0.100000E-04    0.973509E+00
  74   -0.102330E-04    0.100754E+03  0.101565E-06 0.100000E-04    0.985855E+00
  75    0.490620E-05    0.972056E+02 -0.504724E-07 0.100000E-04    0.981576E+00
  76    0.769153E-05    0.949941E+02 -0.809686E-07 0.100000E-04    0.984723E+00
  77   -0.527634E-07    0.916971E+02  0.575410E-09 0.123199E-04    0.957994E+00
  78   -0.137722E-04    0.903064E+02  0.152505E-06 0.100000E-04    0.984241E+00
  79    0.172995E-04    0.875252E+02 -0.197652E-06 0.100000E-04    0.987000E+00
  80   -0.297378E-05    0.844241E+02  0.352243E-07 0.100000E-04    0.981590E+00
  81    0.413978E-05    0.809323E+02 -0.511511E-07 0.100000E-04    0.983513E+00
  82    0.683779E-05    0.789738E+02 -0.865831E-07 0.100000E-04    0.978477E+00
  83    0.854672E-05    0.787242E+02 -0.108565E-06 0.100000E-04    0.995373E+00
  84   -0.478063E-05    0.731874E+02  0.653204E-07 0.100000E-04    0.983284E+00
  85   -0.112445E-04    0.711534E+02  0.158032E-06 0.100000E-04    0.986663E+00
  86   -0.141466E-04    0.698874E+02  0.202420E-06 0.100000E-04    0.985380E+00
  87    0.560745E-05    0.674554E+02 -0.831282E-07 0.100000E-04    0.992337E+00
  88   -0.967387E-06    0.637920E+02  0.151647E-07 0.100000E-04    0.991323E+00
  89   -0.122057E-04    0.624498E+02  0.195448E-06 0.100000E-04    0.985703E+00
  90   -0.530968E-05    0.596564E+02  0.890043E-07 0.100000E-04    0.983797E+00
  91   -0.141237E-05    0.583960E+02  0.241862E-07 0.100000E-04    0.997209E+00
  92    0.109622E-04    0.558527E+02 -0.196269E-06 0.100000E-04    0.981794E+00
  93    0.189122E-04    0.536970E+02 -0.352203E-06 0.100000E-04    0.986726E+00
  94   -0.652548E-05    0.524092E+02  0.124510E-06 0.100000E-04    0.982182E+00
  95   -0.189375E-04    0.502683E+02  0.376729E-06 0.100000E-04    0.987784E+00
  96   -0.525831E-05    0.480579E+02  0.109416E-06 0.100000E-04    0.988462E+00
  97   -0.951857E-05    0.439084E+02  0.216782E-06 0.100000E-04    0.984744E+00
  98   -0.749921E-05    0.396326E+02  0.189218E-06 0.100000E-04    0.986980E+00
  99    0.902740E-05    0.379469E+02 -0.237895E-06 0.100000E-04    0.978738E+00
 100    0.182254E-04    0.360443E+02 -0.505640E-06 0.100000E-04    0.987372E+00
 101    0.464574E-04    0.344221E+02 -0.134964E-05 0.100000E-04    0.984588E+00
 102   -0.207187E-04    0.301079E+02  0.688148E-06 0.100000E-04    0.987601E+00
 103   -0.155217E-04    0.290553E+02  0.534212E-06 0.100000E-04    0.985278E+00
 104   -0.229540E-04    0.286860E+02  0.800182E-06 0.100000E-04    0.987129E+00
 105   -0.561994E-05    0.237625E+02  0.236504E-06 0.100000E-04    0.971037E+00
 106   -0.401510E-05    0.218543E+02  0.183721E-06 0.100000E-04    0.994159E+00
 107    0.440312E-04    0.196957E+02 -0.223558E-05 0.100000E-04    0.983371E+00
 108    0.642386E-04    0.163930E+02 -0.391865E-05 0.100000E-04    0.989767E+00
 109    0.396549E-04    0.139947E+02 -0.283357E-05 0.100000E-04    0.987873E+00
 110   -0.103172E-04    0.128901E+02  0.800398E-06 0.100000E-04    0.963889E+00
 111   -0.508934E-04    0.119453E+02  0.426053E-05 0.100000E-04    0.982150E+00
 112    0.268454E-04    0.930135E+01 -0.288618E-05 0.100000E-04    0.993915E+00
 113    0.164922E-03    0.751827E+01 -0.100000E-04 0.100000E-04    0.695315E+00
 114   -0.117601E+00    0.471098E+01 -0.400000E-03 0.400000E-03    0.421143E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2494766340E-01

 Beginning of optimization cycle   42.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4015645685
 potential> RMS force:                                               0.0111908986   |gradient|=.1194860999    
 Eigenvalues of the Hessian matrix:
   716.07235    669.48793    621.89685    602.18053    589.46333    562.74195 
   559.39419    477.28512    471.57875    464.09753    441.73332    432.35960 
   419.91984    405.07263    398.57579    388.06527    366.93746    364.57333 
   353.30538    345.90729    324.65125    323.82653    319.04402    315.53342 
   305.42183    287.26722    280.11967    271.96686    265.87878    261.75623 
   257.67808    253.36914    244.94467    240.07200    233.70260    228.33561 
   225.75795    213.15842    211.22380    210.01885    202.81017    198.87079 
   195.17040    191.72992    186.56310    179.03433    170.69307    168.13029 
   165.82598    160.73945    154.09718    151.08097    148.18414    142.28737 
   136.86646    134.47183    131.04006    127.72421    125.52397    124.11842 
   119.43795    118.02971    116.15803    113.00843    110.55528    105.79367 
   102.85514    100.74957     97.20677     94.99481     91.69022     90.31080 
    87.53541     84.42444     80.93086     78.97428     78.72551     73.18476 
    71.15654     69.87923     67.45933     63.78607     62.44797     59.65672 
    58.39889     55.85179     53.69694     52.40714     50.26919     48.05712 
    43.90417     39.63590     37.93927     36.04740     34.42662     30.09799 
    29.05405     28.68647     23.75677     21.85489     19.69191     16.39813 
    13.99194     12.88475     11.94024      9.30333      7.51994      4.71374 
overlap for current and previous eigenvector    109 is        -0.9999922626
overlap for current and previous eigenvector    110 is        -0.9999909025
overlap for current and previous eigenvector    111 is        -0.9999903444
overlap for current and previous eigenvector    112 is        -0.9999996466
overlap for current and previous eigenvector    113 is        -0.9999992839
overlap for current and previous eigenvector    114 is        -0.9999990604
J1,K1,R1,R2,RAT=   7   7    0.3263252278E-02     1.996572914        0.9965729144    
FOB,PFOB,DIAG,PSTEP=    0.3205668647E-06    0.3216164663E-06     716.0723454       -0.4491764223E-09
J1,K1,R1,R2,RAT=   8   8   -0.1072092700         2.107147025        0.8927907300    
FOB,PFOB,DIAG,PSTEP=   -0.8693145548E-07   -0.7851378764E-07     669.4879337        0.1172780379E-09
J1,K1,R1,R2,RAT=   9   9   -0.1246751872E-01     2.012374781        0.9875324813    
FOB,PFOB,DIAG,PSTEP=    0.3874130465E-06    0.3826422262E-06     621.8968535       -0.6153109919E-09
J1,K1,R1,R2,RAT=  10  10   -0.6597136542E-02     2.006515112        0.9934028635    
FOB,PFOB,DIAG,PSTEP=    0.1027750720E-05    0.1021014671E-05     602.1805303       -0.1695598737E-08
J1,K1,R1,R2,RAT=  11  11   -0.3836862699E-02     2.003814233        0.9961631373    
FOB,PFOB,DIAG,PSTEP=   -0.8209503882E-06   -0.8178125184E-06     589.4633291        0.1387400592E-08
J1,K1,R1,R2,RAT= 109 109     2.012286521       -0.1189184015E-01    0.9881081599    
FOB,PFOB,DIAG,PSTEP=   -0.4012638217E-04    0.3965490542E-04     13.99193738       -0.2833566243E-05
J1,K1,R1,R2,RAT= 110 110     2.036584268       -0.3575228415E-01    0.9642477158    
FOB,PFOB,DIAG,PSTEP=    0.1068592494E-04   -0.1031721434E-04     12.88475316        0.8003975026E-06
J1,K1,R1,R2,RAT= 111 111     2.018407484       -0.1755629028E-01    0.9824437097    
FOB,PFOB,DIAG,PSTEP=    0.5178649257E-04   -0.5089337383E-04     11.94023737        0.4260528613E-05
J1,K1,R1,R2,RAT= 112 112     2.005308896       -0.5734797259E-02    0.9942652027    
FOB,PFOB,DIAG,PSTEP=   -0.2699937677E-04    0.2684539110E-04     9.303334234       -0.2886181275E-05
J1,K1,R1,R2,RAT= 113 113     4.707753279       -0.3214841820        0.6785158180    
FOB,PFOB,DIAG,PSTEP=   -0.1890977598E-03    0.1649223499E-03     7.519937618       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -125.7425983        0.9995722564        0.4277436128E-03
FOB,PFOB,DIAG,PSTEP=    0.1194858727       -0.1176011841         4.713737826       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00001 
     0.00000     -0.00001     -0.00000      0.00001     -0.00000     -0.00001 
     0.00002     -0.00000      0.00000     -0.00001     -0.00001      0.00000 
     0.00001     -0.00001      0.00001      0.00000     -0.00001      0.00001 
    -0.00000      0.00001      0.00002      0.00001     -0.00002     -0.00001 
    -0.00001     -0.00001     -0.00001      0.00002     -0.00005     -0.00002 
    -0.00002     -0.00002      0.00001      0.00000     -0.00004     -0.00006 
    -0.00004      0.00001      0.00005     -0.00003     -0.00019      0.11949 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4334956761
 Log product of positive Hessian eigenvalues =          520.5049638998
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7137378259
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000017
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000036
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000088
 Unscaled step for mode   15=       -0.0000000029
 Unscaled step for mode   16=       -0.0000000011
 Unscaled step for mode   17=       -0.0000000009
 Unscaled step for mode   18=       -0.0000000048
 Unscaled step for mode   19=       -0.0000000089
 Unscaled step for mode   20=       -0.0000000140
 Unscaled step for mode   21=       -0.0000000064
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000042
 Unscaled step for mode   25=        0.0000000127
 Unscaled step for mode   26=       -0.0000000181
 Unscaled step for mode   27=       -0.0000000134
 Unscaled step for mode   28=       -0.0000000108
 Unscaled step for mode   29=        0.0000000092
 Unscaled step for mode   30=        0.0000000087
 Unscaled step for mode   31=        0.0000000017
 Unscaled step for mode   32=       -0.0000000014
 Unscaled step for mode   33=       -0.0000000080
 Unscaled step for mode   34=       -0.0000000037
 Unscaled step for mode   35=       -0.0000000244
 Unscaled step for mode   36=       -0.0000000028
 Unscaled step for mode   37=        0.0000000103
 Unscaled step for mode   38=        0.0000000067
 Unscaled step for mode   39=        0.0000000188
 Unscaled step for mode   40=       -0.0000000042
 Unscaled step for mode   41=       -0.0000000069
 Unscaled step for mode   42=        0.0000000037
 Unscaled step for mode   43=       -0.0000000037
 Unscaled step for mode   44=       -0.0000000004
 Unscaled step for mode   45=        0.0000000103
 Unscaled step for mode   46=        0.0000000073
 Unscaled step for mode   47=        0.0000000309
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000155
 Unscaled step for mode   50=        0.0000000148
 Unscaled step for mode   51=        0.0000000138
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000174
 Unscaled step for mode   54=       -0.0000000042
 Unscaled step for mode   55=        0.0000000333
 Unscaled step for mode   56=        0.0000000130
 Unscaled step for mode   57=       -0.0000000062
 Unscaled step for mode   58=       -0.0000000293
 Unscaled step for mode   59=       -0.0000000174
 Unscaled step for mode   60=       -0.0000000293
 Unscaled step for mode   61=       -0.0000000237
 Unscaled step for mode   62=        0.0000000809
 Unscaled step for mode   63=       -0.0000000518
 Unscaled step for mode   64=       -0.0000000078
 Unscaled step for mode   65=        0.0000000118
 Unscaled step for mode   66=        0.0000000566
 Unscaled step for mode   67=       -0.0000000053
 Unscaled step for mode   68=        0.0000000150
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=       -0.0000000189
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=        0.0000000763
 Unscaled step for mode   73=       -0.0000000178
 Unscaled step for mode   74=        0.0000001030
 Unscaled step for mode   75=        0.0000000514
 Unscaled step for mode   76=       -0.0000000822
 Unscaled step for mode   77=        0.0000000006
 Unscaled step for mode   78=        0.0000001549
 Unscaled step for mode   79=       -0.0000002002
 Unscaled step for mode   80=        0.0000000359
 Unscaled step for mode   81=       -0.0000000520
 Unscaled step for mode   82=        0.0000000884
 Unscaled step for mode   83=        0.0000001090
 Unscaled step for mode   84=       -0.0000000664
 Unscaled step for mode   85=       -0.0000001601
 Unscaled step for mode   86=        0.0000002054
 Unscaled step for mode   87=       -0.0000000837
 Unscaled step for mode   88=       -0.0000000153
 Unscaled step for mode   89=        0.0000001982
 Unscaled step for mode   90=       -0.0000000904
 Unscaled step for mode   91=        0.0000000242
 Unscaled step for mode   92=       -0.0000001998
 Unscaled step for mode   93=       -0.0000003568
 Unscaled step for mode   94=       -0.0000001267
 Unscaled step for mode   95=        0.0000003812
 Unscaled step for mode   96=        0.0000001107
 Unscaled step for mode   97=        0.0000002201
 Unscaled step for mode   98=        0.0000001916
 Unscaled step for mode   99=        0.0000002429
 Unscaled step for mode  100=       -0.0000005119
 Unscaled step for mode  101=        0.0000013699
 Unscaled step for mode  102=        0.0000006968
 Unscaled step for mode  103=        0.0000005420
 Unscaled step for mode  104=        0.0000008103
 Unscaled step for mode  105=       -0.0000002433
 Unscaled step for mode  106=       -0.0000001847
 Unscaled step for mode  107=        0.0000022726
 Unscaled step for mode  108=        0.0000039565
 Unscaled step for mode  109=        0.0000028678
 Unscaled step for mode  110=       -0.0000008293
 Unscaled step for mode  111=       -0.0000043371
 Unscaled step for mode  112=        0.0000029021
 Unscaled step for mode  113=        0.0000251462
 Unscaled step for mode  114=        0.0253321676
 Largest modulus ratio of non-zero e/values=           151.9117889    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.114492E-15    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.451895E-15    0.100780E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.278342E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.117658E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.270443E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.288357E-15    0.973442E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.320567E-06    0.716072E+03 -0.447674E-09 0.100000E-04    0.996573E+00
   8   -0.869315E-07    0.669488E+03  0.129848E-09 0.100000E-04    0.892791E+00
   9    0.387413E-06    0.621897E+03 -0.622954E-09 0.100000E-04    0.987532E+00
  10    0.102775E-05    0.602181E+03 -0.170672E-08 0.100000E-04    0.993403E+00
  11   -0.820950E-06    0.589463E+03  0.139271E-08 0.100000E-04    0.996163E+00
  12    0.199914E-05    0.562742E+03 -0.355249E-08 0.100000E-04    0.993305E+00
  13    0.203570E-05    0.559394E+03 -0.363911E-08 0.100000E-04    0.997529E+00
  14   -0.420567E-05    0.477285E+03  0.881165E-08 0.100000E-04    0.993335E+00
  15    0.135027E-05    0.471579E+03 -0.286331E-08 0.100000E-04    0.995285E+00
  16    0.507521E-06    0.464098E+03 -0.109357E-08 0.100000E-04    0.982285E+00
  17    0.406963E-06    0.441733E+03 -0.921287E-09 0.100000E-04    0.977245E+00
  18    0.209182E-05    0.432360E+03 -0.483816E-08 0.100000E-04    0.991488E+00
  19    0.375209E-05    0.419920E+03 -0.893526E-08 0.100000E-04    0.989092E+00
  20    0.566925E-05    0.405073E+03 -0.139956E-07 0.100000E-04    0.992572E+00
  21    0.253166E-05    0.398576E+03 -0.635176E-08 0.100000E-04    0.987600E+00
  22   -0.930330E-06    0.388065E+03  0.239735E-08 0.100000E-04    0.996220E+00
  23   -0.186053E-05    0.366937E+03  0.507041E-08 0.100000E-04    0.996434E+00
  24    0.153410E-05    0.364573E+03 -0.420795E-08 0.100000E-04    0.993432E+00
  25   -0.448316E-05    0.353305E+03  0.126892E-07 0.100000E-04    0.988723E+00
  26    0.626305E-05    0.345907E+03 -0.181062E-07 0.100000E-04    0.987378E+00
  27    0.435334E-05    0.324651E+03 -0.134093E-07 0.100000E-04    0.988565E+00
  28    0.349827E-05    0.323827E+03 -0.108029E-07 0.100000E-04    0.991811E+00
  29   -0.294695E-05    0.319044E+03  0.923681E-08 0.100000E-04    0.981489E+00
  30   -0.273716E-05    0.315533E+03  0.867470E-08 0.100000E-04    0.989771E+00
  31   -0.528052E-06    0.305422E+03  0.172893E-08 0.100000E-04    0.970875E+00
  32    0.396676E-06    0.287267E+03 -0.138086E-08 0.100000E-04    0.988897E+00
  33    0.224213E-05    0.280120E+03 -0.800418E-08 0.100000E-04    0.987802E+00
  34    0.993176E-06    0.271967E+03 -0.365183E-08 0.100000E-04    0.989099E+00
  35    0.648949E-05    0.265879E+03 -0.244077E-07 0.100000E-04    0.987325E+00
  36    0.724179E-06    0.261756E+03 -0.276662E-08 0.100000E-04    0.981869E+00
  37   -0.265446E-05    0.257678E+03  0.103015E-07 0.100000E-04    0.986713E+00
  38   -0.170850E-05    0.253369E+03  0.674314E-08 0.100000E-04    0.989581E+00
  39   -0.461394E-05    0.244945E+03  0.188367E-07 0.100000E-04    0.986441E+00
  40    0.100186E-05    0.240072E+03 -0.417316E-08 0.100000E-04    0.968707E+00
  41    0.162155E-05    0.233703E+03 -0.693851E-08 0.100000E-04    0.976512E+00
  42   -0.836687E-06    0.228336E+03  0.366429E-08 0.100000E-04    0.978559E+00
  43    0.834882E-06    0.225758E+03 -0.369813E-08 0.100000E-04    0.985520E+00
  44    0.804408E-07    0.213158E+03 -0.377376E-09 0.100000E-04    0.828375E+00
  45   -0.217243E-05    0.211224E+03  0.102850E-07 0.100000E-04    0.984336E+00
  46   -0.154250E-05    0.210019E+03  0.734459E-08 0.100000E-04    0.979414E+00
  47   -0.626056E-05    0.202810E+03  0.308691E-07 0.100000E-04    0.985512E+00
  48   -0.117804E-05    0.198871E+03  0.592363E-08 0.100000E-04    0.996377E+00
  49    0.302339E-05    0.195170E+03 -0.154910E-07 0.100000E-04    0.983652E+00
  50   -0.284584E-05    0.191730E+03  0.148429E-07 0.100000E-04    0.987146E+00
  51   -0.258134E-05    0.186563E+03  0.138363E-07 0.100000E-04    0.986688E+00
  52    0.415053E-06    0.179034E+03 -0.231829E-08 0.100000E-04    0.993659E+00
  53   -0.296960E-05    0.170693E+03  0.173973E-07 0.100000E-04    0.987462E+00
  54    0.700075E-06    0.168130E+03 -0.416388E-08 0.100000E-04    0.973011E+00
  55   -0.551780E-05    0.165826E+03  0.332746E-07 0.100000E-04    0.987109E+00
  56   -0.208199E-05    0.160739E+03  0.129526E-07 0.100000E-04    0.987622E+00
  57    0.958494E-06    0.154097E+03 -0.622006E-08 0.100000E-04    0.989912E+00
  58    0.442307E-05    0.151081E+03 -0.292762E-07 0.100000E-04    0.987906E+00
  59    0.257538E-05    0.148184E+03 -0.173796E-07 0.100000E-04    0.984823E+00
  60    0.417147E-05    0.142287E+03 -0.293172E-07 0.100000E-04    0.985200E+00
  61    0.324154E-05    0.136866E+03 -0.236840E-07 0.100000E-04    0.986431E+00
  62   -0.108726E-04    0.134472E+03  0.808542E-07 0.100000E-04    0.987634E+00
  63    0.678193E-05    0.131040E+03 -0.517546E-07 0.100000E-04    0.987224E+00
  64    0.998601E-06    0.127724E+03 -0.781842E-08 0.100000E-04    0.982643E+00
  65   -0.147691E-05    0.125524E+03  0.117659E-07 0.100000E-04    0.992192E+00
  66   -0.701953E-05    0.124118E+03  0.565551E-07 0.100000E-04    0.986417E+00
  67    0.633215E-06    0.119438E+03 -0.530163E-08 0.100000E-04    0.991499E+00
  68   -0.176711E-05    0.118030E+03  0.149717E-07 0.100000E-04    0.985217E+00
  69    0.930683E-06    0.116158E+03 -0.801221E-08 0.100000E-04    0.998597E+00
  70    0.213093E-05    0.113008E+03 -0.188564E-07 0.100000E-04    0.975602E+00
  71   -0.249233E-06    0.110555E+03  0.225438E-08 0.100000E-04    0.999558E+00
  72   -0.807266E-05    0.105794E+03  0.763057E-07 0.100000E-04    0.985216E+00
  73    0.183229E-05    0.102855E+03 -0.178143E-07 0.100000E-04    0.973839E+00
  74   -0.103758E-04    0.100750E+03  0.102986E-06 0.100000E-04    0.986052E+00
  75   -0.499564E-05    0.972068E+02  0.513919E-07 0.100000E-04    0.981770E+00
  76    0.780755E-05    0.949948E+02 -0.821892E-07 0.100000E-04    0.984916E+00
  77   -0.549120E-07    0.916902E+02  0.598886E-09 0.110990E-04    0.959275E+00
  78   -0.139864E-04    0.903108E+02  0.154870E-06 0.100000E-04    0.984442E+00
  79    0.175207E-04    0.875354E+02 -0.200155E-06 0.100000E-04    0.987217E+00
  80   -0.302787E-05    0.844244E+02  0.358648E-07 0.100000E-04    0.981813E+00
  81    0.420710E-05    0.809309E+02 -0.519838E-07 0.100000E-04    0.983738E+00
  82   -0.698334E-05    0.789743E+02  0.884255E-07 0.100000E-04    0.978714E+00
  83   -0.858266E-05    0.787255E+02  0.109020E-06 0.100000E-04    0.995796E+00
  84    0.485960E-05    0.731848E+02 -0.664019E-07 0.100000E-04    0.983480E+00
  85    0.113924E-04    0.711565E+02 -0.160103E-06 0.100000E-04    0.986850E+00
  86   -0.143502E-04    0.698792E+02  0.205357E-06 0.100000E-04    0.985612E+00
  87    0.564892E-05    0.674593E+02 -0.837382E-07 0.100000E-04    0.992604E+00
  88    0.975054E-06    0.637861E+02 -0.152863E-07 0.100000E-04    0.992074E+00
  89   -0.123777E-04    0.624480E+02  0.198208E-06 0.100000E-04    0.985909E+00
  90    0.539452E-05    0.596567E+02 -0.904260E-07 0.100000E-04    0.984021E+00
  91   -0.141589E-05    0.583989E+02  0.242451E-07 0.100000E-04    0.997512E+00
  92    0.111592E-04    0.558518E+02 -0.199800E-06 0.100000E-04    0.982028E+00
  93    0.191589E-04    0.536969E+02 -0.356796E-06 0.100000E-04    0.986960E+00
  94    0.664032E-05    0.524071E+02 -0.126706E-06 0.100000E-04    0.982401E+00
  95   -0.191646E-04    0.502692E+02  0.381239E-06 0.100000E-04    0.988011E+00
  96   -0.531784E-05    0.480571E+02  0.110657E-06 0.100000E-04    0.988679E+00
  97   -0.966150E-05    0.439042E+02  0.220059E-06 0.100000E-04    0.984982E+00
  98   -0.759530E-05    0.396359E+02  0.191627E-06 0.100000E-04    0.987189E+00
  99   -0.921709E-05    0.379393E+02  0.242943E-06 0.100000E-04    0.978983E+00
 100    0.184517E-04    0.360474E+02 -0.511873E-06 0.100000E-04    0.987589E+00
 101   -0.471614E-04    0.344266E+02  0.136991E-05 0.100000E-04    0.984849E+00
 102   -0.209713E-04    0.300980E+02  0.696768E-06 0.100000E-04    0.987803E+00
 103   -0.157465E-04    0.290540E+02  0.541971E-06 0.100000E-04    0.985517E+00
 104   -0.232438E-04    0.286865E+02  0.810272E-06 0.100000E-04    0.987373E+00
 105    0.577956E-05    0.237568E+02 -0.243281E-06 0.100000E-04    0.971590E+00
 106    0.403739E-05    0.218549E+02 -0.184736E-06 0.100000E-04    0.994448E+00
 107   -0.447514E-04    0.196919E+02  0.227258E-05 0.100000E-04    0.983642E+00
 108   -0.648786E-04    0.163981E+02  0.395646E-05 0.100000E-04    0.990040E+00
 109   -0.401264E-04    0.139919E+02  0.286782E-05 0.100000E-04    0.988108E+00
 110    0.106859E-04    0.128848E+02 -0.829347E-06 0.100000E-04    0.964248E+00
 111    0.517865E-04    0.119402E+02 -0.433714E-05 0.100000E-04    0.982444E+00
 112   -0.269994E-04    0.930333E+01  0.290212E-05 0.100000E-04    0.994265E+00
 113   -0.189098E-03    0.751994E+01  0.100000E-04 0.100000E-04    0.678516E+00
 114    0.119486E+00    0.471374E+01  0.400000E-03 0.400000E-03    0.427744E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2533216755E-01

 Beginning of optimization cycle   43.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4015163990
 potential> RMS force:                                               0.0113675202   |gradient|=.1213719024    
 Eigenvalues of the Hessian matrix:
   716.13102    669.50872    621.92557    602.20507    589.46989    562.76628 
   559.43133    477.29814    471.55716    464.08451    441.72878    432.34795 
   419.92710    405.08288    398.57249    388.07150    366.93678    364.56258 
   353.29384    345.86674    324.61846    323.83116    319.04051    315.55468 
   305.42141    287.26757    280.11728    271.95879    265.87592    261.76108 
   257.67634    253.36864    244.92837    240.06211    233.71056    228.33833 
   225.73989    213.14899    211.21841    210.02127    202.81135    198.86547 
   195.17329    191.72757    186.56258    179.01959    170.69178    168.13132 
   165.82459    160.73783    154.08974    151.08044    148.19092    142.29264 
   136.86734    134.47536    131.03985    127.72367    125.52723    124.12699 
   119.43721    118.02784    116.16216    113.00289    110.55033    105.78968 
   102.85402    100.74559     97.20792     94.99556     91.68336     90.31520 
    87.54565     84.42479     80.92948     78.97483     78.72677     73.18214 
    71.15967     69.87106     67.46324     63.78018     62.44605     59.65700 
    58.40184     55.85089     53.69684     52.40507     50.27006     48.05638 
    43.89992     39.63921     37.93162     36.05048     34.43117     30.08809 
    29.05284     28.68699     23.75103     21.85548     19.68818     16.40320 
    13.98920     12.87939     11.93510      9.30531      7.52159      4.71646 
overlap for current and previous eigenvector    109 is        -0.9999923241
overlap for current and previous eigenvector    110 is         0.9999908280
overlap for current and previous eigenvector    111 is        -0.9999901945
overlap for current and previous eigenvector    112 is        -0.9999996466
overlap for current and previous eigenvector    113 is        -0.9999992852
overlap for current and previous eigenvector    114 is         0.9999990647
J1,K1,R1,R2,RAT=   7   7    0.3535334090E-02     1.996300795        0.9963007951    
FOB,PFOB,DIAG,PSTEP=    0.3194334608E-06    0.3205668647E-06     716.1310219       -0.4476738513E-09
J1,K1,R1,R2,RAT=   8   8   -0.9783723517E-01     2.097775134        0.9021627648    
FOB,PFOB,DIAG,PSTEP=   -0.9543685283E-07   -0.8693145548E-07     669.5087222        0.1298476807E-09
J1,K1,R1,R2,RAT=   9   9   -0.1228287976E-01     2.012190526        0.9877171202    
FOB,PFOB,DIAG,PSTEP=    0.3921718141E-06    0.3874130465E-06     621.9255722       -0.6229538618E-09
J1,K1,R1,R2,RAT=  10  10   -0.6513256218E-02     2.006431754        0.9934867438    
FOB,PFOB,DIAG,PSTEP=    0.1034444997E-05    0.1027750720E-05     602.2050708       -0.1706715293E-08
J1,K1,R1,R2,RAT=  11  11   -0.3777733296E-02     2.003755478        0.9962222667    
FOB,PFOB,DIAG,PSTEP=   -0.8240517544E-06   -0.8209503882E-06     589.4698885        0.1392708160E-08
J1,K1,R1,R2,RAT= 109 109     2.012045274       -0.1165322792E-01    0.9883467721    
FOB,PFOB,DIAG,PSTEP=    0.4059389241E-04   -0.4012638217E-04     13.98919518        0.2867821737E-05
J1,K1,R1,R2,RAT= 110 110   -0.3544581264E-01     2.036278153        0.9645541874    
FOB,PFOB,DIAG,PSTEP=    0.1106453867E-04    0.1068592494E-04     12.87939314       -0.8293465003E-06
J1,K1,R1,R2,RAT= 111 111     2.018121965       -0.1726032681E-01    0.9827396732    
FOB,PFOB,DIAG,PSTEP=   -0.5267995943E-04    0.5178649257E-04     11.93509551       -0.4337140958E-05
J1,K1,R1,R2,RAT= 112 112     2.004968100       -0.5393778615E-02    0.9946062214    
FOB,PFOB,DIAG,PSTEP=    0.2714503643E-04   -0.2699937677E-04     9.305314772        0.2902118325E-05
J1,K1,R1,R2,RAT= 113 113     5.366290513       -0.3381585112        0.6618414888    
FOB,PFOB,DIAG,PSTEP=    0.2145326597E-03   -0.1890977598E-03     7.521590912        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9995651677        -127.6687178        0.4348322705E-03
FOB,PFOB,DIAG,PSTEP=    0.1213716344        0.1194858727         4.716455041        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00001      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00001      0.00001     -0.00000      0.00001 
    -0.00002     -0.00000      0.00000     -0.00001      0.00001      0.00000 
     0.00001     -0.00001      0.00001     -0.00000     -0.00001      0.00001 
    -0.00000      0.00001     -0.00002     -0.00001     -0.00002     -0.00001 
    -0.00001     -0.00001     -0.00001      0.00002     -0.00005      0.00002 
     0.00002      0.00002     -0.00001      0.00000     -0.00005      0.00007 
     0.00004      0.00001     -0.00005      0.00003      0.00021      0.12137 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4335795613
 Log product of positive Hessian eigenvalues =          520.5041296330
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7164550413
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000001
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000017
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000036
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000089
 Unscaled step for mode   15=       -0.0000000029
 Unscaled step for mode   16=       -0.0000000011
 Unscaled step for mode   17=       -0.0000000009
 Unscaled step for mode   18=       -0.0000000049
 Unscaled step for mode   19=       -0.0000000090
 Unscaled step for mode   20=       -0.0000000141
 Unscaled step for mode   21=       -0.0000000064
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000042
 Unscaled step for mode   25=        0.0000000128
 Unscaled step for mode   26=       -0.0000000183
 Unscaled step for mode   27=       -0.0000000136
 Unscaled step for mode   28=       -0.0000000109
 Unscaled step for mode   29=        0.0000000094
 Unscaled step for mode   30=        0.0000000088
 Unscaled step for mode   31=        0.0000000018
 Unscaled step for mode   32=       -0.0000000014
 Unscaled step for mode   33=       -0.0000000081
 Unscaled step for mode   34=       -0.0000000037
 Unscaled step for mode   35=       -0.0000000247
 Unscaled step for mode   36=       -0.0000000028
 Unscaled step for mode   37=        0.0000000104
 Unscaled step for mode   38=        0.0000000068
 Unscaled step for mode   39=        0.0000000191
 Unscaled step for mode   40=       -0.0000000043
 Unscaled step for mode   41=       -0.0000000071
 Unscaled step for mode   42=        0.0000000037
 Unscaled step for mode   43=       -0.0000000038
 Unscaled step for mode   44=       -0.0000000003
 Unscaled step for mode   45=        0.0000000104
 Unscaled step for mode   46=        0.0000000075
 Unscaled step for mode   47=        0.0000000313
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000157
 Unscaled step for mode   50=        0.0000000150
 Unscaled step for mode   51=        0.0000000140
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000176
 Unscaled step for mode   54=        0.0000000043
 Unscaled step for mode   55=       -0.0000000337
 Unscaled step for mode   56=       -0.0000000131
 Unscaled step for mode   57=        0.0000000063
 Unscaled step for mode   58=        0.0000000296
 Unscaled step for mode   59=       -0.0000000176
 Unscaled step for mode   60=        0.0000000297
 Unscaled step for mode   61=       -0.0000000240
 Unscaled step for mode   62=        0.0000000818
 Unscaled step for mode   63=       -0.0000000524
 Unscaled step for mode   64=       -0.0000000080
 Unscaled step for mode   65=        0.0000000119
 Unscaled step for mode   66=        0.0000000573
 Unscaled step for mode   67=        0.0000000053
 Unscaled step for mode   68=        0.0000000152
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=       -0.0000000193
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=        0.0000000774
 Unscaled step for mode   73=        0.0000000183
 Unscaled step for mode   74=       -0.0000001044
 Unscaled step for mode   75=        0.0000000523
 Unscaled step for mode   76=       -0.0000000834
 Unscaled step for mode   77=        0.0000000006
 Unscaled step for mode   78=       -0.0000001572
 Unscaled step for mode   79=        0.0000002026
 Unscaled step for mode   80=        0.0000000365
 Unscaled step for mode   81=       -0.0000000528
 Unscaled step for mode   82=        0.0000000903
 Unscaled step for mode   83=       -0.0000001094
 Unscaled step for mode   84=       -0.0000000675
 Unscaled step for mode   85=       -0.0000001622
 Unscaled step for mode   86=        0.0000002083
 Unscaled step for mode   87=       -0.0000000843
 Unscaled step for mode   88=        0.0000000154
 Unscaled step for mode   89=        0.0000002010
 Unscaled step for mode   90=       -0.0000000919
 Unscaled step for mode   91=        0.0000000243
 Unscaled step for mode   92=       -0.0000002033
 Unscaled step for mode   93=        0.0000003614
 Unscaled step for mode   94=        0.0000001289
 Unscaled step for mode   95=        0.0000003857
 Unscaled step for mode   96=        0.0000001119
 Unscaled step for mode   97=        0.0000002233
 Unscaled step for mode   98=        0.0000001940
 Unscaled step for mode   99=        0.0000002480
 Unscaled step for mode  100=       -0.0000005181
 Unscaled step for mode  101=        0.0000013901
 Unscaled step for mode  102=       -0.0000007054
 Unscaled step for mode  103=       -0.0000005497
 Unscaled step for mode  104=       -0.0000008203
 Unscaled step for mode  105=        0.0000002501
 Unscaled step for mode  106=       -0.0000001857
 Unscaled step for mode  107=        0.0000023096
 Unscaled step for mode  108=       -0.0000039936
 Unscaled step for mode  109=       -0.0000029018
 Unscaled step for mode  110=       -0.0000008591
 Unscaled step for mode  111=        0.0000044139
 Unscaled step for mode  112=       -0.0000029172
 Unscaled step for mode  113=       -0.0000285222
 Unscaled step for mode  114=        0.0257166378
 Largest modulus ratio of non-zero e/values=           151.8367112    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.750376E-15    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.154607E-15    0.100780E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.440403E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.102658E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.209485E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.566984E-15    0.973443E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.319433E-06    0.716131E+03 -0.446054E-09 0.100000E-04    0.996301E+00
   8   -0.954369E-07    0.669509E+03  0.142548E-09 0.100000E-04    0.902163E+00
   9    0.392172E-06    0.621926E+03 -0.630577E-09 0.100000E-04    0.987717E+00
  10    0.103444E-05    0.602205E+03 -0.171776E-08 0.100000E-04    0.993487E+00
  11   -0.824052E-06    0.589470E+03  0.139795E-08 0.100000E-04    0.996222E+00
  12    0.201239E-05    0.562766E+03 -0.357588E-08 0.100000E-04    0.993372E+00
  13    0.204051E-05    0.559431E+03 -0.364747E-08 0.100000E-04    0.997635E+00
  14   -0.423330E-05    0.477298E+03  0.886930E-08 0.100000E-04    0.993431E+00
  15    0.135655E-05    0.471557E+03 -0.287675E-08 0.100000E-04    0.995350E+00
  16    0.516452E-06    0.464085E+03 -0.111284E-08 0.100000E-04    0.982404E+00
  17    0.416106E-06    0.441729E+03 -0.941995E-09 0.100000E-04    0.977534E+00
  18    0.210945E-05    0.432348E+03 -0.487905E-08 0.100000E-04    0.991574E+00
  19    0.379266E-05    0.419927E+03 -0.903172E-08 0.100000E-04    0.989187E+00
  20    0.571081E-05    0.405083E+03 -0.140979E-07 0.100000E-04    0.992670E+00
  21    0.256270E-05    0.398572E+03 -0.642970E-08 0.100000E-04    0.987737E+00
  22   -0.926592E-06    0.388071E+03  0.238768E-08 0.100000E-04    0.995950E+00
  23   -0.186695E-05    0.366937E+03  0.508794E-08 0.100000E-04    0.996545E+00
  24    0.154399E-05    0.364563E+03 -0.423520E-08 0.100000E-04    0.993554E+00
  25   -0.453325E-05    0.353294E+03  0.128314E-07 0.100000E-04    0.988827E+00
  26    0.634144E-05    0.345867E+03 -0.183349E-07 0.100000E-04    0.987483E+00
  27    0.440296E-05    0.324618E+03 -0.135635E-07 0.100000E-04    0.988599E+00
  28    0.352579E-05    0.323831E+03 -0.108877E-07 0.100000E-04    0.992132E+00
  29   -0.300107E-05    0.319041E+03  0.940656E-08 0.100000E-04    0.981634E+00
  30   -0.276505E-05    0.315555E+03  0.876251E-08 0.100000E-04    0.989811E+00
  31   -0.543194E-06    0.305421E+03  0.177851E-08 0.100000E-04    0.971325E+00
  32    0.392041E-06    0.287268E+03 -0.136472E-08 0.100000E-04    0.988313E+00
  33    0.226921E-05    0.280117E+03 -0.810091E-08 0.100000E-04    0.987923E+00
  34    0.100395E-05    0.271959E+03 -0.369155E-08 0.100000E-04    0.989152E+00
  35    0.657089E-05    0.265876E+03 -0.247141E-07 0.100000E-04    0.987458E+00
  36    0.737278E-06    0.261761E+03 -0.281661E-08 0.100000E-04    0.981912E+00
  37   -0.268941E-05    0.257676E+03  0.104372E-07 0.100000E-04    0.986833E+00
  38   -0.172609E-05    0.253369E+03  0.681257E-08 0.100000E-04    0.989705E+00
  39   -0.467584E-05    0.244928E+03  0.190907E-07 0.100000E-04    0.986582E+00
  40    0.103276E-05    0.240062E+03 -0.430206E-08 0.100000E-04    0.969154E+00
  41    0.165922E-05    0.233711E+03 -0.709948E-08 0.100000E-04    0.976765E+00
  42   -0.854422E-06    0.228338E+03  0.374191E-08 0.100000E-04    0.978804E+00
  43    0.846898E-06    0.225740E+03 -0.375165E-08 0.100000E-04    0.985607E+00
  44    0.632459E-07    0.213149E+03 -0.296722E-09 0.100000E-04    0.786232E+00
  45   -0.220576E-05    0.211218E+03  0.104430E-07 0.100000E-04    0.984657E+00
  46   -0.157441E-05    0.210021E+03  0.749643E-08 0.100000E-04    0.979315E+00
  47   -0.635031E-05    0.202811E+03  0.313114E-07 0.100000E-04    0.985665E+00
  48   -0.118202E-05    0.198865E+03  0.594382E-08 0.100000E-04    0.996618E+00
  49    0.307233E-05    0.195173E+03 -0.157416E-07 0.100000E-04    0.983812E+00
  50   -0.288199E-05    0.191728E+03  0.150317E-07 0.100000E-04    0.987296E+00
  51   -0.261531E-05    0.186563E+03  0.140184E-07 0.100000E-04    0.986840E+00
  52    0.417601E-06    0.179020E+03 -0.233271E-08 0.100000E-04    0.993861E+00
  53   -0.300633E-05    0.170692E+03  0.176126E-07 0.100000E-04    0.987630E+00
  54   -0.718752E-06    0.168131E+03  0.427494E-08 0.100000E-04    0.973322E+00
  55    0.558805E-05    0.165825E+03 -0.336986E-07 0.100000E-04    0.987268E+00
  56    0.210744E-05    0.160738E+03 -0.131110E-07 0.100000E-04    0.987776E+00
  57   -0.968042E-06    0.154090E+03  0.628232E-08 0.100000E-04    0.990038E+00
  58   -0.447591E-05    0.151080E+03  0.296260E-07 0.100000E-04    0.988054E+00
  59    0.261397E-05    0.148191E+03 -0.176392E-07 0.100000E-04    0.985019E+00
  60   -0.423243E-05    0.142293E+03  0.297446E-07 0.100000E-04    0.985386E+00
  61    0.328504E-05    0.136867E+03 -0.240017E-07 0.100000E-04    0.986581E+00
  62   -0.110052E-04    0.134475E+03  0.818382E-07 0.100000E-04    0.987804E+00
  63    0.686745E-05    0.131040E+03 -0.524073E-07 0.100000E-04    0.987390E+00
  64    0.101581E-05    0.127724E+03 -0.795318E-08 0.100000E-04    0.982768E+00
  65   -0.148802E-05    0.125527E+03  0.118542E-07 0.100000E-04    0.992475E+00
  66   -0.711371E-05    0.124127E+03  0.573099E-07 0.100000E-04    0.986584E+00
  67   -0.638519E-06    0.119437E+03  0.534607E-08 0.100000E-04    0.991623E+00
  68   -0.179294E-05    0.118028E+03  0.151908E-07 0.100000E-04    0.985386E+00
  69    0.929114E-06    0.116162E+03 -0.799842E-08 0.100000E-04    0.998243E+00
  70    0.218217E-05    0.113003E+03 -0.193108E-07 0.100000E-04    0.975953E+00
  71   -0.249210E-06    0.110550E+03  0.225427E-08 0.100000E-04    0.999908E+00
  72   -0.819060E-05    0.105790E+03  0.774234E-07 0.100000E-04    0.985389E+00
  73   -0.187963E-05    0.102854E+03  0.182748E-07 0.100000E-04    0.974164E+00
  74    0.105185E-04    0.100746E+03 -0.104406E-06 0.100000E-04    0.986246E+00
  75   -0.508578E-05    0.972079E+02  0.523186E-07 0.100000E-04    0.981958E+00
  76    0.792383E-05    0.949956E+02 -0.834127E-07 0.100000E-04    0.985107E+00
  77   -0.570843E-07    0.916834E+02  0.622624E-09 0.100000E-04    0.960438E+00
  78    0.142014E-04    0.903152E+02 -0.157242E-06 0.100000E-04    0.984635E+00
  79   -0.177409E-04    0.875456E+02  0.202647E-06 0.100000E-04    0.987431E+00
  80   -0.308231E-05    0.844248E+02  0.365095E-07 0.100000E-04    0.982020E+00
  81    0.427457E-05    0.809295E+02 -0.528185E-07 0.100000E-04    0.983960E+00
  82   -0.713025E-05    0.789748E+02  0.902851E-07 0.100000E-04    0.978963E+00
  83    0.861516E-05    0.787268E+02 -0.109431E-06 0.100000E-04    0.996213E+00
  84    0.493896E-05    0.731821E+02 -0.674885E-07 0.100000E-04    0.983670E+00
  85    0.115402E-04    0.711597E+02 -0.162173E-06 0.100000E-04    0.987031E+00
  86   -0.145534E-04    0.698711E+02  0.208290E-06 0.100000E-04    0.985834E+00
  87    0.568918E-05    0.674632E+02 -0.843301E-07 0.100000E-04    0.992874E+00
  88   -0.982072E-06    0.637802E+02  0.153978E-07 0.100000E-04    0.992801E+00
  89   -0.125496E-04    0.624460E+02  0.200968E-06 0.100000E-04    0.986106E+00
  90    0.547954E-05    0.596570E+02 -0.918507E-07 0.100000E-04    0.984240E+00
  91   -0.141897E-05    0.584018E+02  0.242967E-07 0.100000E-04    0.997823E+00
  92    0.113572E-04    0.558509E+02 -0.203349E-06 0.100000E-04    0.982254E+00
  93   -0.194043E-04    0.536968E+02  0.361368E-06 0.100000E-04    0.987189E+00
  94   -0.675574E-05    0.524051E+02  0.128914E-06 0.100000E-04    0.982618E+00
  95   -0.193901E-04    0.502701E+02  0.385718E-06 0.100000E-04    0.988234E+00
  96   -0.537692E-05    0.480564E+02  0.111888E-06 0.100000E-04    0.988889E+00
  97   -0.980442E-05    0.438999E+02  0.223336E-06 0.100000E-04    0.985206E+00
  98   -0.769108E-05    0.396392E+02  0.194027E-06 0.100000E-04    0.987390E+00
  99   -0.940865E-05    0.379316E+02  0.248042E-06 0.100000E-04    0.979213E+00
 100    0.186768E-04    0.360505E+02 -0.518073E-06 0.100000E-04    0.987802E+00
 101   -0.478642E-04    0.344312E+02  0.139014E-05 0.100000E-04    0.985101E+00
 102    0.212228E-04    0.300881E+02 -0.705355E-06 0.100000E-04    0.988005E+00
 103    0.159709E-04    0.290528E+02 -0.549719E-06 0.100000E-04    0.985746E+00
 104    0.235318E-04    0.286870E+02 -0.820297E-06 0.100000E-04    0.987610E+00
 105   -0.594077E-05    0.237510E+02  0.250127E-06 0.100000E-04    0.972100E+00
 106    0.405855E-05    0.218555E+02 -0.185699E-06 0.100000E-04    0.994760E+00
 107   -0.454718E-04    0.196882E+02  0.230960E-05 0.100000E-04    0.983898E+00
 108    0.655075E-04    0.164032E+02 -0.399358E-05 0.100000E-04    0.990309E+00
 109    0.405939E-04    0.139892E+02 -0.290180E-05 0.100000E-04    0.988347E+00
 110    0.110645E-04    0.128794E+02 -0.859089E-06 0.100000E-04    0.964554E+00
 111   -0.526800E-04    0.119351E+02  0.441387E-05 0.100000E-04    0.982740E+00
 112    0.271450E-04    0.930531E+01 -0.291715E-05 0.100000E-04    0.994606E+00
 113    0.214533E-03    0.752159E+01 -0.100000E-04 0.100000E-04    0.661841E+00
 114    0.121372E+00    0.471646E+01  0.400000E-03 0.400000E-03    0.434832E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2571663776E-01

 Beginning of optimization cycle   44.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4014674752
 potential> RMS force:                                               0.0115442413   |gradient|=.1232587680    
 Eigenvalues of the Hessian matrix:
   716.18972    669.52946    621.95417    602.22946    589.47634    562.79056 
   559.46848    477.31122    471.53555    464.07152    441.72426    432.33631 
   419.93438    405.09316    398.56918    388.07770    366.93613    364.55183 
   353.28233    345.82618    324.58577    323.83579    319.03693    315.57590 
   305.42096    287.26794    280.11485    271.95074    265.87310    261.76598 
   257.67466    253.36817    244.91209    240.05221    233.71858    228.34106 
   225.72181    213.13966    211.21313    210.02355    202.81255    198.86016 
   195.17619    191.72525    186.56198    179.00484    170.69053    168.13232 
   165.82321    160.73619    154.08233    151.07990    148.19772    142.29789 
   136.86821    134.47890    131.03963    127.72314    125.53051    124.13553 
   119.43648    118.02599    116.16630    112.99731    110.54534    105.78569 
   102.85292    100.74160     97.20904     94.99632     91.67650     90.31962 
    87.55591     84.42515     80.92812     78.97543     78.72797     73.17951 
    71.16281     69.86288     67.46715     63.77433     62.44407     59.65727 
    58.40480     55.85001     53.69671     52.40301     50.27092     48.05564 
    43.89567     39.64252     37.92396     36.05354     34.43578     30.07821 
    29.05163     28.68751     23.74530     21.85607     19.68451     16.40823 
    13.98647     12.87403     11.92989      9.30729      7.52323      4.71913 
overlap for current and previous eigenvector    109 is        -0.9999923864
overlap for current and previous eigenvector    110 is         0.9999907542
overlap for current and previous eigenvector    111 is         0.9999900456
overlap for current and previous eigenvector    112 is         0.9999996467
overlap for current and previous eigenvector    113 is         0.9999992864
overlap for current and previous eigenvector    114 is         0.9999990689
J1,K1,R1,R2,RAT=   7   7    0.3812151139E-02     1.996023941        0.9960239412    
FOB,PFOB,DIAG,PSTEP=    0.3182156324E-06    0.3194334608E-06     716.1897164       -0.4460544943E-09
J1,K1,R1,R2,RAT=   8   8   -0.9003407520E-01     2.089972119        0.9099659248    
FOB,PFOB,DIAG,PSTEP=   -0.1040296878E-06   -0.9543685283E-07     669.5294629        0.1425475870E-09
J1,K1,R1,R2,RAT=   9   9   -0.1210149116E-01     2.012009520        0.9878985088    
FOB,PFOB,DIAG,PSTEP=    0.3969178961E-06    0.3921718141E-06     621.9541731       -0.6305767630E-09
J1,K1,R1,R2,RAT=  10  10   -0.6430676893E-02     2.006349696        0.9935693231    
FOB,PFOB,DIAG,PSTEP=    0.1041097448E-05    0.1034444997E-05     602.2294554       -0.1717762017E-08
J1,K1,R1,R2,RAT=  11  11   -0.3720301768E-02     2.003698420        0.9962796982    
FOB,PFOB,DIAG,PSTEP=   -0.8271175091E-06   -0.8240517544E-06     589.4763379        0.1397953942E-08
J1,K1,R1,R2,RAT= 109 109     2.011810806       -0.1142141397E-01    0.9885785860    
FOB,PFOB,DIAG,PSTEP=   -0.4105744181E-04    0.4059389241E-04     13.98647207       -0.2901803277E-05
J1,K1,R1,R2,RAT= 110 110   -0.3513990825E-01     2.035972459        0.9648600917    
FOB,PFOB,DIAG,PSTEP=    0.1145318376E-04    0.1106453867E-04     12.87403400       -0.8590885103E-06
J1,K1,R1,R2,RAT= 111 111   -0.1697080422E-01     2.017843014        0.9830291958    
FOB,PFOB,DIAG,PSTEP=   -0.5357359099E-04   -0.5267995943E-04     11.92989282        0.4413869951E-05
J1,K1,R1,R2,RAT= 112 112   -0.5059262299E-02     2.004633814        0.9949407377    
FOB,PFOB,DIAG,PSTEP=    0.2728239951E-04    0.2714503643E-04     9.307294660       -0.2917154024E-05
J1,K1,R1,R2,RAT= 113 113   -0.3547065962         6.057914237        0.6452934038    
FOB,PFOB,DIAG,PSTEP=    0.2412180460E-03    0.2145326597E-03     7.523228092       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9995576005        -129.5948092        0.4423995425E-03
FOB,PFOB,DIAG,PSTEP=    0.1232584527        0.1213716344         4.719133596        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00001      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00001      0.00001     -0.00000     -0.00001 
     0.00002     -0.00000      0.00000     -0.00001     -0.00001      0.00001 
     0.00001     -0.00001      0.00001     -0.00000     -0.00001      0.00001 
    -0.00000      0.00001     -0.00002     -0.00001     -0.00002     -0.00001 
    -0.00001     -0.00001     -0.00001      0.00002      0.00005     -0.00002 
    -0.00002     -0.00002      0.00001      0.00000      0.00005     -0.00007 
    -0.00004      0.00001     -0.00005      0.00003      0.00024      0.12326 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4336627831
 Log product of positive Hessian eigenvalues =          520.5032827560
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7191335961
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000017
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000036
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000089
 Unscaled step for mode   15=       -0.0000000029
 Unscaled step for mode   16=       -0.0000000011
 Unscaled step for mode   17=       -0.0000000010
 Unscaled step for mode   18=       -0.0000000049
 Unscaled step for mode   19=       -0.0000000091
 Unscaled step for mode   20=       -0.0000000142
 Unscaled step for mode   21=       -0.0000000065
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000043
 Unscaled step for mode   25=        0.0000000130
 Unscaled step for mode   26=       -0.0000000186
 Unscaled step for mode   27=       -0.0000000137
 Unscaled step for mode   28=       -0.0000000110
 Unscaled step for mode   29=        0.0000000096
 Unscaled step for mode   30=        0.0000000089
 Unscaled step for mode   31=        0.0000000018
 Unscaled step for mode   32=       -0.0000000013
 Unscaled step for mode   33=       -0.0000000082
 Unscaled step for mode   34=       -0.0000000037
 Unscaled step for mode   35=       -0.0000000250
 Unscaled step for mode   36=       -0.0000000029
 Unscaled step for mode   37=        0.0000000106
 Unscaled step for mode   38=        0.0000000069
 Unscaled step for mode   39=        0.0000000193
 Unscaled step for mode   40=       -0.0000000044
 Unscaled step for mode   41=       -0.0000000073
 Unscaled step for mode   42=        0.0000000038
 Unscaled step for mode   43=       -0.0000000038
 Unscaled step for mode   44=       -0.0000000002
 Unscaled step for mode   45=        0.0000000106
 Unscaled step for mode   46=        0.0000000077
 Unscaled step for mode   47=        0.0000000318
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000160
 Unscaled step for mode   50=        0.0000000152
 Unscaled step for mode   51=        0.0000000142
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000178
 Unscaled step for mode   54=        0.0000000044
 Unscaled step for mode   55=       -0.0000000341
 Unscaled step for mode   56=       -0.0000000133
 Unscaled step for mode   57=       -0.0000000063
 Unscaled step for mode   58=       -0.0000000300
 Unscaled step for mode   59=       -0.0000000179
 Unscaled step for mode   60=       -0.0000000302
 Unscaled step for mode   61=       -0.0000000243
 Unscaled step for mode   62=        0.0000000828
 Unscaled step for mode   63=       -0.0000000531
 Unscaled step for mode   64=       -0.0000000081
 Unscaled step for mode   65=        0.0000000119
 Unscaled step for mode   66=        0.0000000581
 Unscaled step for mode   67=        0.0000000054
 Unscaled step for mode   68=        0.0000000154
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=       -0.0000000198
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=        0.0000000785
 Unscaled step for mode   73=        0.0000000187
 Unscaled step for mode   74=       -0.0000001058
 Unscaled step for mode   75=        0.0000000533
 Unscaled step for mode   76=       -0.0000000846
 Unscaled step for mode   77=        0.0000000006
 Unscaled step for mode   78=        0.0000001596
 Unscaled step for mode   79=       -0.0000002051
 Unscaled step for mode   80=        0.0000000372
 Unscaled step for mode   81=       -0.0000000537
 Unscaled step for mode   82=        0.0000000922
 Unscaled step for mode   83=        0.0000001098
 Unscaled step for mode   84=       -0.0000000686
 Unscaled step for mode   85=       -0.0000001642
 Unscaled step for mode   86=        0.0000002112
 Unscaled step for mode   87=       -0.0000000849
 Unscaled step for mode   88=        0.0000000155
 Unscaled step for mode   89=        0.0000002037
 Unscaled step for mode   90=       -0.0000000933
 Unscaled step for mode   91=        0.0000000243
 Unscaled step for mode   92=       -0.0000002069
 Unscaled step for mode   93=        0.0000003659
 Unscaled step for mode   94=        0.0000001311
 Unscaled step for mode   95=        0.0000003902
 Unscaled step for mode   96=        0.0000001131
 Unscaled step for mode   97=        0.0000002266
 Unscaled step for mode   98=        0.0000001964
 Unscaled step for mode   99=        0.0000002532
 Unscaled step for mode  100=       -0.0000005242
 Unscaled step for mode  101=       -0.0000014103
 Unscaled step for mode  102=        0.0000007139
 Unscaled step for mode  103=        0.0000005575
 Unscaled step for mode  104=        0.0000008303
 Unscaled step for mode  105=       -0.0000002570
 Unscaled step for mode  106=       -0.0000001866
 Unscaled step for mode  107=       -0.0000023466
 Unscaled step for mode  108=        0.0000040300
 Unscaled step for mode  109=        0.0000029355
 Unscaled step for mode  110=       -0.0000008896
 Unscaled step for mode  111=        0.0000044907
 Unscaled step for mode  112=       -0.0000029313
 Unscaled step for mode  113=       -0.0000320631
 Unscaled step for mode  114=        0.0261010794
 Largest modulus ratio of non-zero e/values=           151.7629670    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.632090E-16    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.309431E-15    0.100780E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.617383E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.166317E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.149132E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.108950E-14    0.973444E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.318216E-06    0.716190E+03 -0.444318E-09 0.100000E-04    0.996024E+00
   8   -0.104030E-06    0.669529E+03  0.155377E-09 0.100000E-04    0.909966E+00
   9    0.396918E-06    0.621954E+03 -0.638179E-09 0.100000E-04    0.987899E+00
  10    0.104110E-05    0.602229E+03 -0.172874E-08 0.100000E-04    0.993569E+00
  11   -0.827118E-06    0.589476E+03  0.140314E-08 0.100000E-04    0.996280E+00
  12    0.202559E-05    0.562791E+03 -0.359919E-08 0.100000E-04    0.993438E+00
  13    0.204512E-05    0.559468E+03 -0.365547E-08 0.100000E-04    0.997741E+00
  14   -0.426071E-05    0.477311E+03  0.892648E-08 0.100000E-04    0.993525E+00
  15    0.136277E-05    0.471536E+03 -0.289008E-08 0.100000E-04    0.995414E+00
  16    0.525478E-06    0.464072E+03 -0.113232E-08 0.100000E-04    0.982521E+00
  17    0.425337E-06    0.441724E+03 -0.962901E-09 0.100000E-04    0.977817E+00
  18    0.212704E-05    0.432336E+03 -0.491988E-08 0.100000E-04    0.991659E+00
  19    0.383332E-05    0.419934E+03 -0.912838E-08 0.100000E-04    0.989281E+00
  20    0.575212E-05    0.405093E+03 -0.141995E-07 0.100000E-04    0.992766E+00
  21    0.259378E-05    0.398569E+03 -0.650774E-08 0.100000E-04    0.987872E+00
  22   -0.922617E-06    0.388078E+03  0.237740E-08 0.100000E-04    0.995678E+00
  23   -0.187320E-05    0.366936E+03  0.510497E-08 0.100000E-04    0.996655E+00
  24    0.155376E-05    0.364552E+03 -0.426211E-08 0.100000E-04    0.993674E+00
  25   -0.458343E-05    0.353282E+03  0.129738E-07 0.100000E-04    0.988929E+00
  26    0.642015E-05    0.345826E+03 -0.185647E-07 0.100000E-04    0.987586E+00
  27    0.445309E-05    0.324586E+03 -0.137193E-07 0.100000E-04    0.988614E+00
  28    0.355229E-05    0.323836E+03 -0.109694E-07 0.100000E-04    0.992485E+00
  29   -0.305576E-05    0.319037E+03  0.957809E-08 0.100000E-04    0.981777E+00
  30   -0.279313E-05    0.315576E+03  0.885088E-08 0.100000E-04    0.989847E+00
  31   -0.558535E-06    0.305421E+03  0.182874E-08 0.100000E-04    0.971759E+00
  32    0.387225E-06    0.287268E+03 -0.134796E-08 0.100000E-04    0.987713E+00
  33    0.229634E-05    0.280115E+03 -0.819785E-08 0.100000E-04    0.988042E+00
  34    0.101479E-05    0.271951E+03 -0.373152E-08 0.100000E-04    0.989202E+00
  35    0.665244E-05    0.265873E+03 -0.250211E-07 0.100000E-04    0.987588E+00
  36    0.750581E-06    0.261766E+03 -0.286738E-08 0.100000E-04    0.981957E+00
  37   -0.272450E-05    0.257675E+03  0.105734E-07 0.100000E-04    0.986951E+00
  38   -0.174365E-05    0.253368E+03  0.688189E-08 0.100000E-04    0.989827E+00
  39   -0.473793E-05    0.244912E+03  0.193454E-07 0.100000E-04    0.986721E+00
  40    0.106417E-05    0.240052E+03 -0.443308E-08 0.100000E-04    0.969587E+00
  41    0.169737E-05    0.233719E+03 -0.726244E-08 0.100000E-04    0.977013E+00
  42   -0.872328E-06    0.228341E+03  0.382028E-08 0.100000E-04    0.979044E+00
  43    0.859015E-06    0.225722E+03 -0.380563E-08 0.100000E-04    0.985691E+00
  44    0.455182E-07    0.213140E+03 -0.213560E-09 0.100000E-04    0.719689E+00
  45   -0.223889E-05    0.211213E+03  0.106002E-07 0.100000E-04    0.984977E+00
  46   -0.160712E-05    0.210024E+03  0.765212E-08 0.100000E-04    0.979221E+00
  47   -0.644039E-05    0.202813E+03  0.317554E-07 0.100000E-04    0.985814E+00
  48   -0.118574E-05    0.198860E+03  0.596266E-08 0.100000E-04    0.996857E+00
  49    0.312158E-05    0.195176E+03 -0.159937E-07 0.100000E-04    0.983969E+00
  50   -0.291818E-05    0.191725E+03  0.152206E-07 0.100000E-04    0.987443E+00
  51   -0.264934E-05    0.186562E+03  0.142008E-07 0.100000E-04    0.986989E+00
  52    0.420081E-06    0.179005E+03 -0.234676E-08 0.100000E-04    0.994060E+00
  53   -0.304303E-05    0.170691E+03  0.178278E-07 0.100000E-04    0.987793E+00
  54   -0.737707E-06    0.168132E+03  0.438766E-08 0.100000E-04    0.973628E+00
  55    0.565833E-05    0.165823E+03 -0.341226E-07 0.100000E-04    0.987424E+00
  56    0.213288E-05    0.160736E+03 -0.132694E-07 0.100000E-04    0.987928E+00
  57    0.977569E-06    0.154082E+03 -0.634446E-08 0.100000E-04    0.990158E+00
  58    0.452874E-05    0.151080E+03 -0.299758E-07 0.100000E-04    0.988197E+00
  59    0.265262E-05    0.148198E+03 -0.178992E-07 0.100000E-04    0.985211E+00
  60    0.429352E-05    0.142298E+03 -0.301728E-07 0.100000E-04    0.985568E+00
  61    0.332864E-05    0.136868E+03 -0.243201E-07 0.100000E-04    0.986727E+00
  62   -0.111376E-04    0.134479E+03  0.828206E-07 0.100000E-04    0.987969E+00
  63    0.695294E-05    0.131040E+03 -0.530599E-07 0.100000E-04    0.987551E+00
  64    0.103319E-05    0.127723E+03 -0.808931E-08 0.100000E-04    0.982887E+00
  65   -0.149880E-05    0.125531E+03  0.119397E-07 0.100000E-04    0.992756E+00
  66   -0.720799E-05    0.124136E+03  0.580655E-07 0.100000E-04    0.986747E+00
  67   -0.643791E-06    0.119436E+03  0.539024E-08 0.100000E-04    0.991744E+00
  68   -0.181884E-05    0.118026E+03  0.154105E-07 0.100000E-04    0.985550E+00
  69    0.927218E-06    0.116166E+03 -0.798181E-08 0.100000E-04    0.997888E+00
  70    0.223390E-05    0.112997E+03 -0.197695E-07 0.100000E-04    0.976296E+00
  71   -0.249053E-06    0.110545E+03  0.225295E-08 0.100000E-04    0.999368E+00
  72   -0.830888E-05    0.105786E+03  0.785445E-07 0.100000E-04    0.985558E+00
  73   -0.192760E-05    0.102853E+03  0.187413E-07 0.100000E-04    0.974482E+00
  74    0.106612E-04    0.100742E+03 -0.105827E-06 0.100000E-04    0.986435E+00
  75   -0.517661E-05    0.972090E+02  0.532523E-07 0.100000E-04    0.982141E+00
  76    0.804037E-05    0.949963E+02 -0.846388E-07 0.100000E-04    0.985292E+00
  77   -0.592815E-07    0.916765E+02  0.646638E-09 0.100000E-04    0.961506E+00
  78   -0.144169E-04    0.903196E+02  0.159621E-06 0.100000E-04    0.984823E+00
  79    0.179602E-04    0.875559E+02 -0.205128E-06 0.100000E-04    0.987640E+00
  80   -0.313710E-05    0.844252E+02  0.371584E-07 0.100000E-04    0.982222E+00
  81    0.434221E-05    0.809281E+02 -0.536551E-07 0.100000E-04    0.984177E+00
  82   -0.727842E-05    0.789754E+02  0.921605E-07 0.100000E-04    0.979220E+00
  83   -0.864425E-05    0.787280E+02  0.109799E-06 0.100000E-04    0.996623E+00
  84    0.501869E-05    0.731795E+02 -0.685805E-07 0.100000E-04    0.983856E+00
  85    0.116878E-04    0.711628E+02 -0.164240E-06 0.100000E-04    0.987207E+00
  86   -0.147564E-04    0.698629E+02  0.211219E-06 0.100000E-04    0.986051E+00
  87    0.572821E-05    0.674672E+02 -0.849037E-07 0.100000E-04    0.993140E+00
  88   -0.988428E-06    0.637743E+02  0.154988E-07 0.100000E-04    0.993528E+00
  89   -0.127216E-04    0.624441E+02  0.203728E-06 0.100000E-04    0.986296E+00
  90    0.556473E-05    0.596573E+02 -0.932783E-07 0.100000E-04    0.984453E+00
  91   -0.142162E-05    0.584048E+02  0.243409E-07 0.100000E-04    0.998130E+00
  92    0.115563E-04    0.558500E+02 -0.206916E-06 0.100000E-04    0.982473E+00
  93   -0.196486E-04    0.536967E+02  0.365918E-06 0.100000E-04    0.987412E+00
  94   -0.687173E-05    0.524030E+02  0.131132E-06 0.100000E-04    0.982830E+00
  95   -0.196140E-04    0.502709E+02  0.390166E-06 0.100000E-04    0.988451E+00
  96   -0.543558E-05    0.480556E+02  0.113110E-06 0.100000E-04    0.989092E+00
  97   -0.994733E-05    0.438957E+02  0.226613E-06 0.100000E-04    0.985423E+00
  98   -0.778657E-05    0.396425E+02  0.196420E-06 0.100000E-04    0.987586E+00
  99   -0.960209E-05    0.379240E+02  0.253193E-06 0.100000E-04    0.979436E+00
 100    0.189007E-04    0.360535E+02 -0.524241E-06 0.100000E-04    0.988009E+00
 101    0.485657E-04    0.344358E+02 -0.141033E-05 0.100000E-04    0.985346E+00
 102   -0.214731E-04    0.300782E+02  0.713910E-06 0.100000E-04    0.988200E+00
 103   -0.161950E-04    0.290516E+02  0.557455E-06 0.100000E-04    0.985969E+00
 104   -0.238180E-04    0.286875E+02  0.830257E-06 0.100000E-04    0.987840E+00
 105    0.610355E-05    0.237453E+02 -0.257042E-06 0.100000E-04    0.972594E+00
 106    0.407856E-05    0.218561E+02 -0.186610E-06 0.100000E-04    0.995068E+00
 107    0.461925E-04    0.196845E+02 -0.234664E-05 0.100000E-04    0.984148E+00
 108   -0.661253E-04    0.164082E+02  0.403001E-05 0.100000E-04    0.990572E+00
 109   -0.410574E-04    0.139865E+02  0.293551E-05 0.100000E-04    0.988579E+00
 110    0.114532E-04    0.128740E+02 -0.889634E-06 0.100000E-04    0.964860E+00
 111   -0.535736E-04    0.119299E+02  0.449070E-05 0.100000E-04    0.983029E+00
 112    0.272824E-04    0.930729E+01 -0.293129E-05 0.100000E-04    0.994941E+00
 113    0.241218E-03    0.752323E+01 -0.100000E-04 0.100000E-04    0.645293E+00
 114    0.123258E+00    0.471913E+01  0.400000E-03 0.400000E-03    0.442400E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2610107945E-01

 Beginning of optimization cycle   45.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4014177968
 potential> RMS force:                                               0.0117210606   |gradient|=.1251466808    
 Eigenvalues of the Hessian matrix:
   716.24843    669.55016    621.98266    602.25368    589.48268    562.81478 
   559.50566    477.32435    471.51392    464.05854    441.71978    432.32469 
   419.94167    405.10344    398.56587    388.08387    366.93551    364.54109 
   353.27085    345.78561    324.55320    323.84042    319.03327    315.59708 
   305.42048    287.26834    280.11241    271.94270    265.87031    261.77093 
   257.67306    253.36775    244.89583    240.04231    233.72664    228.34379 
   225.70373    213.13041    211.20796    210.02567    202.81377    198.85485 
   195.17911    191.72295    186.56128    178.99008    170.68933    168.13327 
   165.82184    160.73452    154.07495    151.07937    148.20453    142.30312 
   136.86907    134.48246    131.03940    127.72259    125.53379    124.14406 
   119.43577    118.02416    116.17044    112.99170    110.54029    105.78171 
   102.85185    100.73760     97.21013     94.99709     91.66966     90.32407 
    87.56621     84.42553     80.92679     78.97609     78.72911     73.17687 
    71.16594     69.85469     67.47107     63.76852     62.44205     59.65752 
    58.40776     55.84914     53.69655     52.40095     50.27178     48.05491 
    43.89141     39.64582     37.91629     36.05658     34.44045     30.06833 
    29.05042     28.68803     23.73958     21.85667     19.68091     16.41323 
    13.98377     12.86868     11.92463      9.30927      7.52485      4.72177 
overlap for current and previous eigenvector    109 is         0.9999924497
overlap for current and previous eigenvector    110 is         0.9999906812
overlap for current and previous eigenvector    111 is        -0.9999898978
overlap for current and previous eigenvector    112 is        -0.9999996467
overlap for current and previous eigenvector    113 is        -0.9999992876
overlap for current and previous eigenvector    114 is         0.9999990731
J1,K1,R1,R2,RAT=   7   7    0.4094507163E-02     1.995741549        0.9957415489    
FOB,PFOB,DIAG,PSTEP=    0.3169125894E-06    0.3182156324E-06     716.2484287       -0.4443175113E-09
J1,K1,R1,R2,RAT=   8   8   -0.8343350939E-01     2.083371698        0.9165664906    
FOB,PFOB,DIAG,PSTEP=   -0.1127095180E-06   -0.1040296878E-06     669.5501557        0.1553773113E-09
J1,K1,R1,R2,RAT=   9   9   -0.1192416664E-01     2.011832577        0.9880758334    
FOB,PFOB,DIAG,PSTEP=    0.4016510280E-06    0.3969178961E-06     621.9826567       -0.6381786847E-09
J1,K1,R1,R2,RAT=  10  10   -0.6349274845E-02     2.006268813        0.9936507252    
FOB,PFOB,DIAG,PSTEP=    0.1047707928E-05    0.1041097448E-05     602.2536846       -0.1728738836E-08
J1,K1,R1,R2,RAT=  11  11   -0.3663727598E-02     2.003642218        0.9963362724    
FOB,PFOB,DIAG,PSTEP=   -0.8301478749E-06   -0.8271175091E-06     589.4826777        0.1403139458E-08
J1,K1,R1,R2,RAT= 109 109   -0.1119648319E-01     2.011583202        0.9888035168    
FOB,PFOB,DIAG,PSTEP=   -0.4151705189E-04   -0.4105744181E-04     13.98376818        0.2935510942E-05
J1,K1,R1,R2,RAT= 110 110   -0.3483239874E-01     2.035665012        0.9651676013    
FOB,PFOB,DIAG,PSTEP=    0.1185195961E-04    0.1145318376E-04     12.86867668       -0.8896344192E-06
J1,K1,R1,R2,RAT= 111 111     2.017570730       -0.1668781900E-01    0.9833121810    
FOB,PFOB,DIAG,PSTEP=    0.5446722288E-04   -0.5357359099E-04     11.92462863        0.4490701785E-05
J1,K1,R1,R2,RAT= 112 112     2.004305776       -0.4730986099E-02    0.9952690139    
FOB,PFOB,DIAG,PSTEP=   -0.2741149961E-04    0.2728239951E-04     9.309273859       -0.2931292122E-05
J1,K1,R1,R2,RAT= 113 113     6.782366779       -0.3711274548        0.6288725452    
FOB,PFOB,DIAG,PSTEP=   -0.2691448274E-03    0.2412180460E-03     7.524849216       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9995495641        -131.5209011        0.4504359347E-03
FOB,PFOB,DIAG,PSTEP=    0.1251463114        0.1232584527         4.721773539        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000     -0.00001      0.00001     -0.00001      0.00000      0.00001 
    -0.00002      0.00000      0.00000     -0.00001      0.00001      0.00001 
     0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00000      0.00001     -0.00002      0.00001      0.00002     -0.00001 
    -0.00001     -0.00001     -0.00001      0.00002      0.00005      0.00002 
     0.00002      0.00002     -0.00001      0.00000      0.00005     -0.00007 
    -0.00004      0.00001      0.00005     -0.00003     -0.00027      0.12515 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4337453400
 Log product of positive Hessian eigenvalues =          520.5024232969
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7217735387
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000017
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000036
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000090
 Unscaled step for mode   15=       -0.0000000029
 Unscaled step for mode   16=       -0.0000000012
 Unscaled step for mode   17=       -0.0000000010
 Unscaled step for mode   18=       -0.0000000050
 Unscaled step for mode   19=       -0.0000000092
 Unscaled step for mode   20=       -0.0000000143
 Unscaled step for mode   21=       -0.0000000066
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000043
 Unscaled step for mode   25=        0.0000000131
 Unscaled step for mode   26=       -0.0000000188
 Unscaled step for mode   27=       -0.0000000139
 Unscaled step for mode   28=       -0.0000000110
 Unscaled step for mode   29=        0.0000000098
 Unscaled step for mode   30=        0.0000000089
 Unscaled step for mode   31=        0.0000000019
 Unscaled step for mode   32=       -0.0000000013
 Unscaled step for mode   33=       -0.0000000083
 Unscaled step for mode   34=       -0.0000000038
 Unscaled step for mode   35=       -0.0000000253
 Unscaled step for mode   36=       -0.0000000029
 Unscaled step for mode   37=        0.0000000107
 Unscaled step for mode   38=        0.0000000070
 Unscaled step for mode   39=        0.0000000196
 Unscaled step for mode   40=       -0.0000000046
 Unscaled step for mode   41=       -0.0000000074
 Unscaled step for mode   42=        0.0000000039
 Unscaled step for mode   43=       -0.0000000039
 Unscaled step for mode   44=       -0.0000000001
 Unscaled step for mode   45=        0.0000000108
 Unscaled step for mode   46=        0.0000000078
 Unscaled step for mode   47=        0.0000000322
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000162
 Unscaled step for mode   50=        0.0000000154
 Unscaled step for mode   51=        0.0000000144
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000180
 Unscaled step for mode   54=       -0.0000000045
 Unscaled step for mode   55=        0.0000000345
 Unscaled step for mode   56=        0.0000000134
 Unscaled step for mode   57=       -0.0000000064
 Unscaled step for mode   58=       -0.0000000303
 Unscaled step for mode   59=       -0.0000000182
 Unscaled step for mode   60=        0.0000000306
 Unscaled step for mode   61=       -0.0000000246
 Unscaled step for mode   62=        0.0000000838
 Unscaled step for mode   63=       -0.0000000537
 Unscaled step for mode   64=       -0.0000000082
 Unscaled step for mode   65=        0.0000000120
 Unscaled step for mode   66=        0.0000000588
 Unscaled step for mode   67=       -0.0000000054
 Unscaled step for mode   68=        0.0000000156
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=       -0.0000000202
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=       -0.0000000797
 Unscaled step for mode   73=        0.0000000192
 Unscaled step for mode   74=        0.0000001072
 Unscaled step for mode   75=       -0.0000000542
 Unscaled step for mode   76=        0.0000000859
 Unscaled step for mode   77=       -0.0000000007
 Unscaled step for mode   78=       -0.0000001620
 Unscaled step for mode   79=        0.0000002076
 Unscaled step for mode   80=       -0.0000000378
 Unscaled step for mode   81=       -0.0000000545
 Unscaled step for mode   82=        0.0000000941
 Unscaled step for mode   83=       -0.0000001101
 Unscaled step for mode   84=       -0.0000000697
 Unscaled step for mode   85=       -0.0000001663
 Unscaled step for mode   86=        0.0000002141
 Unscaled step for mode   87=        0.0000000855
 Unscaled step for mode   88=        0.0000000156
 Unscaled step for mode   89=        0.0000002065
 Unscaled step for mode   90=       -0.0000000947
 Unscaled step for mode   91=        0.0000000244
 Unscaled step for mode   92=       -0.0000002105
 Unscaled step for mode   93=        0.0000003704
 Unscaled step for mode   94=       -0.0000001334
 Unscaled step for mode   95=       -0.0000003946
 Unscaled step for mode   96=        0.0000001143
 Unscaled step for mode   97=        0.0000002299
 Unscaled step for mode   98=        0.0000001988
 Unscaled step for mode   99=        0.0000002584
 Unscaled step for mode  100=       -0.0000005304
 Unscaled step for mode  101=       -0.0000014305
 Unscaled step for mode  102=       -0.0000007224
 Unscaled step for mode  103=       -0.0000005652
 Unscaled step for mode  104=       -0.0000008402
 Unscaled step for mode  105=        0.0000002640
 Unscaled step for mode  106=       -0.0000001875
 Unscaled step for mode  107=       -0.0000023837
 Unscaled step for mode  108=        0.0000040657
 Unscaled step for mode  109=        0.0000029689
 Unscaled step for mode  110=       -0.0000009210
 Unscaled step for mode  111=       -0.0000045676
 Unscaled step for mode  112=        0.0000029445
 Unscaled step for mode  113=        0.0000357675
 Unscaled step for mode  114=        0.0264854980
 Largest modulus ratio of non-zero e/values=           151.6905508    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.209793E-15    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.618429E-15    0.100780E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.794503E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.834836E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.131906E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.434901E-16    0.973445E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.316913E-06    0.716248E+03 -0.442462E-09 0.100000E-04    0.995742E+00
   8   -0.112710E-06    0.669550E+03  0.168336E-09 0.100000E-04    0.916566E+00
   9    0.401651E-06    0.621983E+03 -0.645759E-09 0.100000E-04    0.988076E+00
  10    0.104771E-05    0.602254E+03 -0.173965E-08 0.100000E-04    0.993651E+00
  11   -0.830148E-06    0.589483E+03  0.140827E-08 0.100000E-04    0.996336E+00
  12    0.203875E-05    0.562815E+03 -0.362242E-08 0.100000E-04    0.993503E+00
  13    0.204953E-05    0.559506E+03 -0.366310E-08 0.100000E-04    0.997847E+00
  14   -0.428790E-05    0.477324E+03  0.898320E-08 0.100000E-04    0.993618E+00
  15    0.136894E-05    0.471514E+03 -0.290328E-08 0.100000E-04    0.995476E+00
  16    0.534602E-06    0.464059E+03 -0.115201E-08 0.100000E-04    0.982637E+00
  17    0.434654E-06    0.441720E+03 -0.984005E-09 0.100000E-04    0.978093E+00
  18    0.214461E-05    0.432325E+03 -0.496064E-08 0.100000E-04    0.991742E+00
  19    0.387406E-05    0.419942E+03 -0.922523E-08 0.100000E-04    0.989373E+00
  20    0.579318E-05    0.405103E+03 -0.143005E-07 0.100000E-04    0.992861E+00
  21    0.262490E-05    0.398566E+03 -0.658586E-08 0.100000E-04    0.988004E+00
  22   -0.918405E-06    0.388084E+03  0.236651E-08 0.100000E-04    0.995403E+00
  23   -0.187926E-05    0.366936E+03  0.512150E-08 0.100000E-04    0.996763E+00
  24    0.156341E-05    0.364541E+03 -0.428869E-08 0.100000E-04    0.993793E+00
  25   -0.463371E-05    0.353271E+03  0.131166E-07 0.100000E-04    0.989030E+00
  26    0.649919E-05    0.345786E+03 -0.187954E-07 0.100000E-04    0.987688E+00
  27    0.450384E-05    0.324553E+03 -0.138770E-07 0.100000E-04    0.988604E+00
  28    0.357759E-05    0.323840E+03 -0.110474E-07 0.100000E-04    0.992877E+00
  29   -0.311102E-05    0.319033E+03  0.975138E-08 0.100000E-04    0.981918E+00
  30   -0.282139E-05    0.315597E+03  0.893986E-08 0.100000E-04    0.989880E+00
  31   -0.574073E-06    0.305420E+03  0.187962E-08 0.100000E-04    0.972180E+00
  32    0.382227E-06    0.287268E+03 -0.133056E-08 0.100000E-04    0.987092E+00
  33    0.232353E-05    0.280112E+03 -0.829500E-08 0.100000E-04    0.988159E+00
  34    0.102570E-05    0.271943E+03 -0.377174E-08 0.100000E-04    0.989252E+00
  35    0.673416E-05    0.265870E+03 -0.253288E-07 0.100000E-04    0.987716E+00
  36    0.764091E-06    0.261771E+03 -0.291893E-08 0.100000E-04    0.982001E+00
  37   -0.275974E-05    0.257673E+03  0.107102E-07 0.100000E-04    0.987066E+00
  38   -0.176118E-05    0.253368E+03  0.695110E-08 0.100000E-04    0.989945E+00
  39   -0.480019E-05    0.244896E+03  0.196009E-07 0.100000E-04    0.986858E+00
  40    0.109609E-05    0.240042E+03 -0.456622E-08 0.100000E-04    0.970008E+00
  41    0.173597E-05    0.233727E+03 -0.742737E-08 0.100000E-04    0.977255E+00
  42   -0.890403E-06    0.228344E+03  0.389940E-08 0.100000E-04    0.979279E+00
  43    0.871235E-06    0.225704E+03 -0.386008E-08 0.100000E-04    0.985773E+00
  44    0.272541E-07    0.213130E+03 -0.127875E-09 0.100000E-04    0.598735E+00
  45   -0.227182E-05    0.211208E+03  0.107563E-07 0.100000E-04    0.985295E+00
  46   -0.164066E-05    0.210026E+03  0.781172E-08 0.100000E-04    0.979132E+00
  47   -0.653081E-05    0.202814E+03  0.322010E-07 0.100000E-04    0.985961E+00
  48   -0.118918E-05    0.198855E+03  0.598014E-08 0.100000E-04    0.997094E+00
  49    0.317115E-05    0.195179E+03 -0.162474E-07 0.100000E-04    0.984123E+00
  50   -0.295440E-05    0.191723E+03  0.154098E-07 0.100000E-04    0.987586E+00
  51   -0.268342E-05    0.186561E+03  0.143836E-07 0.100000E-04    0.987134E+00
  52    0.422494E-06    0.178990E+03 -0.236043E-08 0.100000E-04    0.994255E+00
  53   -0.307969E-05    0.170689E+03  0.180426E-07 0.100000E-04    0.987953E+00
  54    0.756941E-06    0.168133E+03 -0.450203E-08 0.100000E-04    0.973927E+00
  55   -0.572862E-05    0.165822E+03  0.345468E-07 0.100000E-04    0.987577E+00
  56   -0.215831E-05    0.160735E+03  0.134278E-07 0.100000E-04    0.988077E+00
  57    0.987077E-06    0.154075E+03 -0.640647E-08 0.100000E-04    0.990273E+00
  58    0.458156E-05    0.151079E+03 -0.303255E-07 0.100000E-04    0.988337E+00
  59    0.269136E-05    0.148205E+03 -0.181597E-07 0.100000E-04    0.985399E+00
  60   -0.435472E-05    0.142303E+03  0.306017E-07 0.100000E-04    0.985746E+00
  61    0.337235E-05    0.136869E+03 -0.246392E-07 0.100000E-04    0.986870E+00
  62   -0.112698E-04    0.134482E+03  0.838014E-07 0.100000E-04    0.988131E+00
  63    0.703841E-05    0.131039E+03 -0.537122E-07 0.100000E-04    0.987708E+00
  64    0.105075E-05    0.127723E+03 -0.822685E-08 0.100000E-04    0.983002E+00
  65   -0.150924E-05    0.125534E+03  0.120226E-07 0.100000E-04    0.993034E+00
  66   -0.730237E-05    0.124144E+03  0.588218E-07 0.100000E-04    0.986907E+00
  67    0.649032E-06    0.119436E+03 -0.543415E-08 0.100000E-04    0.991859E+00
  68   -0.184483E-05    0.118024E+03  0.156310E-07 0.100000E-04    0.985711E+00
  69    0.924997E-06    0.116170E+03 -0.796242E-08 0.100000E-04    0.997534E+00
  70    0.228610E-05    0.112992E+03 -0.202325E-07 0.100000E-04    0.976629E+00
  71   -0.248759E-06    0.110540E+03  0.225039E-08 0.100000E-04    0.998821E+00
  72    0.842751E-05    0.105782E+03 -0.796688E-07 0.100000E-04    0.985723E+00
  73   -0.197619E-05    0.102852E+03  0.192139E-07 0.100000E-04    0.974793E+00
  74   -0.108038E-04    0.100738E+03  0.107247E-06 0.100000E-04    0.986619E+00
  75    0.526814E-05    0.972101E+02 -0.541933E-07 0.100000E-04    0.982319E+00
  76   -0.815718E-05    0.949971E+02  0.858676E-07 0.100000E-04    0.985473E+00
  77    0.615058E-07    0.916697E+02 -0.670950E-09 0.100000E-04    0.962478E+00
  78    0.146331E-04    0.903241E+02 -0.162007E-06 0.100000E-04    0.985006E+00
  79   -0.181786E-04    0.875662E+02  0.207598E-06 0.100000E-04    0.987844E+00
  80    0.319226E-05    0.844255E+02 -0.378115E-07 0.100000E-04    0.982420E+00
  81    0.440999E-05    0.809268E+02 -0.544936E-07 0.100000E-04    0.984390E+00
  82   -0.742772E-05    0.789761E+02  0.940503E-07 0.100000E-04    0.979487E+00
  83    0.866995E-05    0.787291E+02 -0.110124E-06 0.100000E-04    0.997027E+00
  84    0.509880E-05    0.731769E+02 -0.696778E-07 0.100000E-04    0.984036E+00
  85    0.118353E-04    0.711659E+02 -0.166306E-06 0.100000E-04    0.987378E+00
  86   -0.149591E-04    0.698547E+02  0.214146E-06 0.100000E-04    0.986263E+00
  87   -0.576601E-05    0.674711E+02  0.854590E-07 0.100000E-04    0.993402E+00
  88   -0.994106E-06    0.637685E+02  0.155893E-07 0.100000E-04    0.994255E+00
  89   -0.128936E-04    0.624420E+02  0.206489E-06 0.100000E-04    0.986482E+00
  90    0.565009E-05    0.596575E+02 -0.947087E-07 0.100000E-04    0.984661E+00
  91   -0.142385E-05    0.584078E+02  0.243778E-07 0.100000E-04    0.998435E+00
  92    0.117563E-04    0.558491E+02 -0.210502E-06 0.100000E-04    0.982687E+00
  93   -0.198916E-04    0.536966E+02  0.370445E-06 0.100000E-04    0.987630E+00
  94    0.698830E-05    0.524010E+02 -0.133362E-06 0.100000E-04    0.983036E+00
  95    0.198363E-04    0.502718E+02 -0.394582E-06 0.100000E-04    0.988663E+00
  96   -0.549379E-05    0.480549E+02  0.114323E-06 0.100000E-04    0.989289E+00
  97   -0.100902E-04    0.438914E+02  0.229890E-06 0.100000E-04    0.985635E+00
  98   -0.788177E-05    0.396458E+02  0.198805E-06 0.100000E-04    0.987775E+00
  99   -0.979743E-05    0.379163E+02  0.258396E-06 0.100000E-04    0.979653E+00
 100    0.191236E-04    0.360566E+02 -0.530376E-06 0.100000E-04    0.988212E+00
 101    0.492659E-04    0.344405E+02 -0.143047E-05 0.100000E-04    0.985585E+00
 102    0.217224E-04    0.300683E+02 -0.722434E-06 0.100000E-04    0.988389E+00
 103    0.164187E-04    0.290504E+02 -0.565179E-06 0.100000E-04    0.986186E+00
 104    0.241023E-04    0.286880E+02 -0.840151E-06 0.100000E-04    0.988064E+00
 105   -0.626786E-05    0.237396E+02  0.264026E-06 0.100000E-04    0.973073E+00
 106    0.409744E-05    0.218567E+02 -0.187469E-06 0.100000E-04    0.995372E+00
 107    0.469133E-04    0.196809E+02 -0.238370E-05 0.100000E-04    0.984391E+00
 108   -0.667320E-04    0.164132E+02  0.406575E-05 0.100000E-04    0.990827E+00
 109   -0.415171E-04    0.139838E+02  0.296895E-05 0.100000E-04    0.988804E+00
 110    0.118520E-04    0.128687E+02 -0.920993E-06 0.100000E-04    0.965168E+00
 111    0.544672E-04    0.119246E+02 -0.456762E-05 0.100000E-04    0.983312E+00
 112   -0.274115E-04    0.930927E+01  0.294454E-05 0.100000E-04    0.995269E+00
 113   -0.269145E-03    0.752485E+01  0.100000E-04 0.100000E-04    0.628873E+00
 114    0.125146E+00    0.472177E+01  0.400000E-03 0.400000E-03    0.450436E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2648549799E-01

 Beginning of optimization cycle   46.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4013673633
 potential> RMS force:                                               0.0118979764   |gradient|=.1270356251    
 Eigenvalues of the Hessian matrix:
   716.30716    669.57080    622.01102    602.27776    589.48891    562.83895 
   559.54287    477.33752    471.49227    464.04560    441.71532    432.31309 
   419.94897    405.11375    398.56255    388.09001    366.93492    364.53036 
   353.25940    345.74504    324.52073    323.84506    319.02955    315.61822 
   305.41998    287.26876    280.10994    271.93469    265.86755    261.77593 
   257.67152    253.36736    244.87958    240.03239    233.73475    228.34653 
   225.68564    213.12125    211.20290    210.02764    202.81501    198.84955 
   195.18206    191.72068    186.56049    178.97533    170.68819    168.13420 
   165.82046    160.73284    154.06759    151.07885    148.21135    142.30834 
   136.86993    134.48604    131.03916    127.72205    125.53708    124.15256 
   119.43508    118.02236    116.17458    112.98604    110.53519    105.77772 
   102.85079    100.73360     97.21120     94.99785     91.66282     90.32853 
    87.57654     84.42593     80.92548     78.97679     78.73019     73.17422 
    71.16908     69.84649     67.47498     63.76274     62.43997     59.65777 
    58.41073     55.84828     53.69637     52.39891     50.27262     48.05418 
    43.88714     39.64911     37.90860     36.05961     34.44517     30.05845 
    29.04922     28.68855     23.73385     21.85728     19.67739     16.41819 
    13.98108     12.86332     11.91930      9.31125      7.52645      4.72437 
overlap for current and previous eigenvector    109 is         0.9999925138
overlap for current and previous eigenvector    110 is         0.9999906090
overlap for current and previous eigenvector    111 is         0.9999897513
overlap for current and previous eigenvector    112 is         0.9999996466
overlap for current and previous eigenvector    113 is         0.9999992887
overlap for current and previous eigenvector    114 is         0.9999990773
J1,K1,R1,R2,RAT=   7   7    0.4381440697E-02     1.995454580        0.9954545797    
FOB,PFOB,DIAG,PSTEP=    0.3155239418E-06    0.3169125894E-06     716.3071586       -0.4424618285E-09
J1,K1,R1,R2,RAT=   8   8   -0.7777589720E-01     2.077714231        0.9222241028    
FOB,PFOB,DIAG,PSTEP=   -0.1214758722E-06   -0.1127095180E-06     669.5708005        0.1683361837E-09
J1,K1,R1,R2,RAT=   9   9   -0.1174951973E-01     2.011658311        0.9882504803    
FOB,PFOB,DIAG,PSTEP=    0.4063704499E-06    0.4016510280E-06     622.0110232       -0.6457592084E-09
J1,K1,R1,R2,RAT=  10  10   -0.6268781704E-02     2.006188837        0.9937312183    
FOB,PFOB,DIAG,PSTEP=    0.1054276042E-05    0.1047707928E-05     602.2777590       -0.1739645525E-08
J1,K1,R1,R2,RAT=  11  11   -0.3607947976E-02     2.003586809        0.9963920520    
FOB,PFOB,DIAG,PSTEP=   -0.8331430369E-06   -0.8301478749E-06     589.4889082        0.1408265088E-08
J1,K1,R1,R2,RAT= 109 109   -0.1097822716E-01     2.011362255        0.9890217728    
FOB,PFOB,DIAG,PSTEP=   -0.4197274802E-04   -0.4151705189E-04     13.98108361        0.2968945950E-05
J1,K1,R1,R2,RAT= 110 110   -0.3452351531E-01     2.035356043        0.9654764847    
FOB,PFOB,DIAG,PSTEP=    0.1226096067E-04    0.1185195961E-04     12.86332215       -0.9209928808E-06
J1,K1,R1,R2,RAT= 111 111   -0.1641120520E-01     2.017304945        0.9835887948    
FOB,PFOB,DIAG,PSTEP=    0.5536069639E-04    0.5446722288E-04     11.91930225       -0.4567624248E-05
J1,K1,R1,R2,RAT= 112 112   -0.4408660088E-02     2.003983696        0.9955913399    
FOB,PFOB,DIAG,PSTEP=   -0.2753237328E-04   -0.2741149961E-04     9.311252332        0.2944536816E-05
J1,K1,R1,R2,RAT= 113 113   -0.3874201549         7.539388803        0.6125798451    
FOB,PFOB,DIAG,PSTEP=   -0.2983038284E-03   -0.2691448274E-03     7.526454340        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9995410681        -133.4470220        0.4589319241E-03
FOB,PFOB,DIAG,PSTEP=    0.1270351941        0.1251463114         4.724374918        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00001      0.00001      0.00000     -0.00000      0.00001 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00001 
    -0.00000      0.00001     -0.00001      0.00001      0.00000      0.00001 
    -0.00002      0.00000      0.00000      0.00001     -0.00001      0.00001 
     0.00001     -0.00002      0.00001     -0.00000     -0.00001      0.00001 
    -0.00000     -0.00001     -0.00002      0.00001     -0.00002     -0.00001 
    -0.00001      0.00001     -0.00001      0.00002     -0.00005     -0.00002 
    -0.00002     -0.00002     -0.00001      0.00000      0.00005     -0.00007 
    -0.00004      0.00001      0.00006     -0.00003     -0.00030      0.12704 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4338272306
 Log product of positive Hessian eigenvalues =          520.5015512839
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7243749184
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000036
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000090
 Unscaled step for mode   15=       -0.0000000029
 Unscaled step for mode   16=       -0.0000000012
 Unscaled step for mode   17=       -0.0000000010
 Unscaled step for mode   18=       -0.0000000050
 Unscaled step for mode   19=       -0.0000000093
 Unscaled step for mode   20=       -0.0000000144
 Unscaled step for mode   21=       -0.0000000067
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000043
 Unscaled step for mode   25=        0.0000000133
 Unscaled step for mode   26=       -0.0000000190
 Unscaled step for mode   27=       -0.0000000140
 Unscaled step for mode   28=       -0.0000000111
 Unscaled step for mode   29=        0.0000000099
 Unscaled step for mode   30=        0.0000000090
 Unscaled step for mode   31=        0.0000000019
 Unscaled step for mode   32=       -0.0000000013
 Unscaled step for mode   33=       -0.0000000084
 Unscaled step for mode   34=       -0.0000000038
 Unscaled step for mode   35=       -0.0000000256
 Unscaled step for mode   36=       -0.0000000030
 Unscaled step for mode   37=        0.0000000108
 Unscaled step for mode   38=        0.0000000070
 Unscaled step for mode   39=        0.0000000199
 Unscaled step for mode   40=       -0.0000000047
 Unscaled step for mode   41=       -0.0000000076
 Unscaled step for mode   42=        0.0000000040
 Unscaled step for mode   43=       -0.0000000039
 Unscaled step for mode   44=       -0.0000000000
 Unscaled step for mode   45=        0.0000000109
 Unscaled step for mode   46=        0.0000000080
 Unscaled step for mode   47=        0.0000000326
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000165
 Unscaled step for mode   50=        0.0000000156
 Unscaled step for mode   51=        0.0000000146
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000183
 Unscaled step for mode   54=       -0.0000000046
 Unscaled step for mode   55=        0.0000000350
 Unscaled step for mode   56=        0.0000000136
 Unscaled step for mode   57=       -0.0000000065
 Unscaled step for mode   58=       -0.0000000307
 Unscaled step for mode   59=       -0.0000000184
 Unscaled step for mode   60=       -0.0000000310
 Unscaled step for mode   61=        0.0000000250
 Unscaled step for mode   62=       -0.0000000848
 Unscaled step for mode   63=       -0.0000000544
 Unscaled step for mode   64=       -0.0000000084
 Unscaled step for mode   65=        0.0000000121
 Unscaled step for mode   66=       -0.0000000596
 Unscaled step for mode   67=       -0.0000000055
 Unscaled step for mode   68=       -0.0000000159
 Unscaled step for mode   69=        0.0000000079
 Unscaled step for mode   70=        0.0000000207
 Unscaled step for mode   71=       -0.0000000022
 Unscaled step for mode   72=       -0.0000000808
 Unscaled step for mode   73=        0.0000000197
 Unscaled step for mode   74=       -0.0000001087
 Unscaled step for mode   75=        0.0000000551
 Unscaled step for mode   76=       -0.0000000871
 Unscaled step for mode   77=       -0.0000000007
 Unscaled step for mode   78=       -0.0000001644
 Unscaled step for mode   79=        0.0000002101
 Unscaled step for mode   80=       -0.0000000385
 Unscaled step for mode   81=       -0.0000000553
 Unscaled step for mode   82=       -0.0000000960
 Unscaled step for mode   83=        0.0000001104
 Unscaled step for mode   84=       -0.0000000708
 Unscaled step for mode   85=       -0.0000001684
 Unscaled step for mode   86=        0.0000002171
 Unscaled step for mode   87=       -0.0000000860
 Unscaled step for mode   88=        0.0000000157
 Unscaled step for mode   89=        0.0000002092
 Unscaled step for mode   90=       -0.0000000961
 Unscaled step for mode   91=        0.0000000244
 Unscaled step for mode   92=        0.0000002141
 Unscaled step for mode   93=        0.0000003750
 Unscaled step for mode   94=       -0.0000001356
 Unscaled step for mode   95=        0.0000003990
 Unscaled step for mode   96=        0.0000001155
 Unscaled step for mode   97=        0.0000002332
 Unscaled step for mode   98=       -0.0000002012
 Unscaled step for mode   99=        0.0000002637
 Unscaled step for mode  100=       -0.0000005365
 Unscaled step for mode  101=        0.0000014506
 Unscaled step for mode  102=        0.0000007309
 Unscaled step for mode  103=        0.0000005729
 Unscaled step for mode  104=        0.0000008500
 Unscaled step for mode  105=        0.0000002711
 Unscaled step for mode  106=       -0.0000001883
 Unscaled step for mode  107=       -0.0000024208
 Unscaled step for mode  108=        0.0000041008
 Unscaled step for mode  109=        0.0000030021
 Unscaled step for mode  110=       -0.0000009532
 Unscaled step for mode  111=       -0.0000046446
 Unscaled step for mode  112=        0.0000029569
 Unscaled step for mode  113=        0.0000396340
 Unscaled step for mode  114=        0.0268698988
 Largest modulus ratio of non-zero e/values=           151.6194567    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.292951E-15    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.365376E-15    0.100779E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.399516E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.154106E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.774120E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.123328E-17    0.973446E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.315524E-06    0.716307E+03 -0.440487E-09 0.100000E-04    0.995455E+00
   8   -0.121476E-06    0.669571E+03  0.181423E-09 0.100000E-04    0.922224E+00
   9    0.406370E-06    0.622011E+03 -0.653317E-09 0.100000E-04    0.988250E+00
  10    0.105428E-05    0.602278E+03 -0.175048E-08 0.100000E-04    0.993731E+00
  11   -0.833143E-06    0.589489E+03  0.141333E-08 0.100000E-04    0.996392E+00
  12    0.205187E-05    0.562839E+03 -0.364557E-08 0.100000E-04    0.993567E+00
  13    0.205372E-05    0.559543E+03 -0.367036E-08 0.100000E-04    0.997952E+00
  14   -0.431487E-05    0.477338E+03  0.903946E-08 0.100000E-04    0.993710E+00
  15    0.137505E-05    0.471492E+03 -0.291637E-08 0.100000E-04    0.995538E+00
  16    0.543822E-06    0.464046E+03 -0.117192E-08 0.100000E-04    0.982753E+00
  17    0.444059E-06    0.441715E+03 -0.100531E-08 0.100000E-04    0.978362E+00
  18    0.216214E-05    0.432313E+03 -0.500134E-08 0.100000E-04    0.991823E+00
  19    0.391488E-05    0.419949E+03 -0.932227E-08 0.100000E-04    0.989463E+00
  20    0.583400E-05    0.405114E+03 -0.144009E-07 0.100000E-04    0.992954E+00
  21    0.265604E-05    0.398563E+03 -0.666405E-08 0.100000E-04    0.988135E+00
  22   -0.913956E-06    0.388090E+03  0.235501E-08 0.100000E-04    0.995124E+00
  23   -0.188514E-05    0.366935E+03  0.513754E-08 0.100000E-04    0.996870E+00
  24    0.157293E-05    0.364530E+03 -0.431494E-08 0.100000E-04    0.993910E+00
  25   -0.468409E-05    0.353259E+03  0.132596E-07 0.100000E-04    0.989128E+00
  26    0.657855E-05    0.345745E+03 -0.190272E-07 0.100000E-04    0.987788E+00
  27    0.455533E-05    0.324521E+03 -0.140371E-07 0.100000E-04    0.988566E+00
  28    0.360150E-05    0.323845E+03 -0.111211E-07 0.100000E-04    0.993316E+00
  29   -0.316683E-05    0.319030E+03  0.992646E-08 0.100000E-04    0.982058E+00
  30   -0.284986E-05    0.315618E+03  0.902947E-08 0.100000E-04    0.989910E+00
  31   -0.589810E-06    0.305420E+03  0.193114E-08 0.100000E-04    0.972588E+00
  32    0.377049E-06    0.287269E+03 -0.131253E-08 0.100000E-04    0.986449E+00
  33    0.235078E-05    0.280110E+03 -0.839235E-08 0.100000E-04    0.988273E+00
  34    0.103667E-05    0.271935E+03 -0.381221E-08 0.100000E-04    0.989299E+00
  35    0.681604E-05    0.265868E+03 -0.256370E-07 0.100000E-04    0.987841E+00
  36    0.777810E-06    0.261776E+03 -0.297128E-08 0.100000E-04    0.982045E+00
  37   -0.279512E-05    0.257672E+03  0.108476E-07 0.100000E-04    0.987179E+00
  38   -0.177869E-05    0.253367E+03  0.702019E-08 0.100000E-04    0.990062E+00
  39   -0.486262E-05    0.244880E+03  0.198572E-07 0.100000E-04    0.986993E+00
  40    0.112851E-05    0.240032E+03 -0.470150E-08 0.100000E-04    0.970416E+00
  41    0.177505E-05    0.233735E+03 -0.759429E-08 0.100000E-04    0.977492E+00
  42   -0.908649E-06    0.228347E+03  0.397925E-08 0.100000E-04    0.979509E+00
  43    0.883561E-06    0.225686E+03 -0.391501E-08 0.100000E-04    0.985851E+00
  44    0.845014E-08    0.213121E+03 -0.396494E-10 0.100000E-04    0.310020E+00
  45   -0.230450E-05    0.211203E+03  0.109113E-07 0.100000E-04    0.985611E+00
  46   -0.167504E-05    0.210028E+03  0.797531E-08 0.100000E-04    0.979050E+00
  47   -0.662156E-05    0.202815E+03  0.326483E-07 0.100000E-04    0.986104E+00
  48   -0.119236E-05    0.198850E+03  0.599627E-08 0.100000E-04    0.997330E+00
  49    0.322102E-05    0.195182E+03 -0.165026E-07 0.100000E-04    0.984274E+00
  50   -0.299066E-05    0.191721E+03  0.155991E-07 0.100000E-04    0.987727E+00
  51   -0.271756E-05    0.186560E+03  0.145667E-07 0.100000E-04    0.987276E+00
  52    0.424839E-06    0.178975E+03 -0.237373E-08 0.100000E-04    0.994449E+00
  53   -0.311631E-05    0.170688E+03  0.182573E-07 0.100000E-04    0.988110E+00
  54    0.776455E-06    0.168134E+03 -0.461807E-08 0.100000E-04    0.974220E+00
  55   -0.579894E-05    0.165820E+03  0.349712E-07 0.100000E-04    0.987726E+00
  56   -0.218372E-05    0.160733E+03  0.135861E-07 0.100000E-04    0.988222E+00
  57    0.996568E-06    0.154068E+03 -0.646838E-08 0.100000E-04    0.990384E+00
  58    0.463437E-05    0.151079E+03 -0.306751E-07 0.100000E-04    0.988474E+00
  59    0.273016E-05    0.148211E+03 -0.184207E-07 0.100000E-04    0.985584E+00
  60    0.441604E-05    0.142308E+03 -0.310315E-07 0.100000E-04    0.985919E+00
  61   -0.341616E-05    0.136870E+03  0.249592E-07 0.100000E-04    0.987009E+00
  62    0.114018E-04    0.134486E+03 -0.847806E-07 0.100000E-04    0.988289E+00
  63    0.712384E-05    0.131039E+03 -0.543642E-07 0.100000E-04    0.987862E+00
  64    0.106850E-05    0.127722E+03 -0.836580E-08 0.100000E-04    0.983113E+00
  65   -0.151934E-05    0.125537E+03  0.121027E-07 0.100000E-04    0.993309E+00
  66    0.739686E-05    0.124153E+03 -0.595788E-07 0.100000E-04    0.987063E+00
  67    0.654244E-06    0.119435E+03 -0.547782E-08 0.100000E-04    0.991969E+00
  68    0.187090E-05    0.118022E+03 -0.158521E-07 0.100000E-04    0.985867E+00
  69   -0.922454E-06    0.116175E+03  0.794024E-08 0.100000E-04    0.997179E+00
  70   -0.233879E-05    0.112986E+03  0.206998E-07 0.100000E-04    0.976953E+00
  71    0.248328E-06    0.110535E+03 -0.224660E-08 0.100000E-04    0.998267E+00
  72    0.854647E-05    0.105778E+03 -0.807965E-07 0.100000E-04    0.985883E+00
  73   -0.202540E-05    0.102851E+03  0.196926E-07 0.100000E-04    0.975097E+00
  74    0.109464E-04    0.100734E+03 -0.108667E-06 0.100000E-04    0.986800E+00
  75   -0.536037E-05    0.972112E+02  0.551415E-07 0.100000E-04    0.982492E+00
  76    0.827423E-05    0.949979E+02 -0.870991E-07 0.100000E-04    0.985650E+00
  77    0.637587E-07    0.916628E+02 -0.695578E-09 0.100000E-04    0.963368E+00
  78    0.148499E-04    0.903285E+02 -0.164399E-06 0.100000E-04    0.985184E+00
  79   -0.183959E-04    0.875765E+02  0.210055E-06 0.100000E-04    0.988044E+00
  80    0.324776E-05    0.844259E+02 -0.384687E-07 0.100000E-04    0.982613E+00
  81    0.447792E-05    0.809255E+02 -0.553338E-07 0.100000E-04    0.984597E+00
  82    0.757804E-05    0.789768E+02 -0.959527E-07 0.100000E-04    0.979763E+00
  83   -0.869229E-05    0.787302E+02  0.110406E-06 0.100000E-04    0.997423E+00
  84    0.517930E-05    0.731742E+02 -0.707804E-07 0.100000E-04    0.984212E+00
  85    0.119828E-04    0.711691E+02 -0.168370E-06 0.100000E-04    0.987544E+00
  86   -0.151615E-04    0.698465E+02  0.217069E-06 0.100000E-04    0.986469E+00
  87    0.580256E-05    0.674750E+02 -0.859957E-07 0.100000E-04    0.993661E+00
  88   -0.999092E-06    0.637627E+02  0.156689E-07 0.100000E-04    0.994984E+00
  89   -0.130656E-04    0.624400E+02  0.209250E-06 0.100000E-04    0.986662E+00
  90    0.573561E-05    0.596578E+02 -0.961419E-07 0.100000E-04    0.984864E+00
  91   -0.142565E-05    0.584107E+02  0.244073E-07 0.100000E-04    0.998736E+00
  92   -0.119574E-04    0.558483E+02  0.214106E-06 0.100000E-04    0.982895E+00
  93   -0.201335E-04    0.536964E+02  0.374950E-06 0.100000E-04    0.987843E+00
  94    0.710544E-05    0.523989E+02 -0.135603E-06 0.100000E-04    0.983237E+00
  95   -0.200571E-04    0.502726E+02  0.398967E-06 0.100000E-04    0.988870E+00
  96   -0.555158E-05    0.480542E+02  0.115528E-06 0.100000E-04    0.989481E+00
  97   -0.102331E-04    0.438871E+02  0.233167E-06 0.100000E-04    0.985841E+00
  98    0.797669E-05    0.396491E+02 -0.201182E-06 0.100000E-04    0.987958E+00
  99   -0.999468E-05    0.379086E+02  0.263652E-06 0.100000E-04    0.979863E+00
 100    0.193452E-04    0.360596E+02 -0.536480E-06 0.100000E-04    0.988408E+00
 101   -0.499647E-04    0.344452E+02  0.145056E-05 0.100000E-04    0.985817E+00
 102   -0.219705E-04    0.300585E+02  0.730927E-06 0.100000E-04    0.988572E+00
 103   -0.166420E-04    0.290492E+02  0.572891E-06 0.100000E-04    0.986397E+00
 104   -0.243847E-04    0.286885E+02  0.849980E-06 0.100000E-04    0.988283E+00
 105   -0.643369E-05    0.237339E+02  0.271076E-06 0.100000E-04    0.973537E+00
 106    0.411517E-05    0.218573E+02 -0.188275E-06 0.100000E-04    0.995671E+00
 107    0.476343E-04    0.196774E+02 -0.242076E-05 0.100000E-04    0.984629E+00
 108   -0.673276E-04    0.164182E+02  0.410080E-05 0.100000E-04    0.991077E+00
 109   -0.419727E-04    0.139811E+02  0.300211E-05 0.100000E-04    0.989022E+00
 110    0.122610E-04    0.128633E+02 -0.953172E-06 0.100000E-04    0.965476E+00
 111    0.553607E-04    0.119193E+02 -0.464463E-05 0.100000E-04    0.983589E+00
 112   -0.275324E-04    0.931125E+01  0.295689E-05 0.100000E-04    0.995591E+00
 113   -0.298304E-03    0.752645E+01  0.100000E-04 0.100000E-04    0.612580E+00
 114    0.127035E+00    0.472437E+01  0.400000E-03 0.400000E-03    0.458932E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2686989877E-01

 Beginning of optimization cycle   47.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4013161744
 potential> RMS force:                                               0.0120749874   |gradient|=.1289255852    
 Eigenvalues of the Hessian matrix:
   716.36591    669.59140    622.03927    602.30168    589.49503    562.86307 
   559.58010    477.35075    471.47061    464.03267    441.71090    432.30151 
   419.95629    405.12406    398.55923    388.09612    366.93437    364.51963 
   353.24798    345.70445    324.48838    323.84971    319.02575    315.63931 
   305.41946    287.26920    280.10744    271.92669    265.86482    261.78098 
   257.67004    253.36701    244.86335    240.02246    233.74291    228.34928 
   225.66753    213.11218    211.19797    210.02943    202.81626    198.84424 
   195.18502    191.71843    186.55961    178.96056    170.68709    168.13508 
   165.81909    160.73112    154.06026    151.07833    148.21818    142.31354 
   136.87078    134.48964    131.03891    127.72150    125.54037    124.16103 
   119.43441    118.02058    116.17872    112.98034    110.53004    105.77374 
   102.84975    100.72958     97.21224     94.99863     91.65599     90.33302 
    87.58690     84.42634     80.92419     78.97756     78.73121     73.17156 
    71.17221     69.83829     67.47889     63.75701     62.43785     59.65801 
    58.41371     55.84743     53.69615     52.39688     50.27346     48.05346 
    43.88286     39.65240     37.90090     36.06261     34.44995     30.04859 
    29.04801     28.68907     23.72814     21.85790     19.67392     16.42312 
    13.97842     12.85797     11.91391      9.31323      7.52804      4.72694 
overlap for current and previous eigenvector    109 is        -0.9999925786
overlap for current and previous eigenvector    110 is         0.9999905379
overlap for current and previous eigenvector    111 is         0.9999896064
overlap for current and previous eigenvector    112 is        -0.9999996466
overlap for current and previous eigenvector    113 is        -0.9999992898
overlap for current and previous eigenvector    114 is         0.9999990816
J1,K1,R1,R2,RAT=   7   7    0.4674045435E-02     1.995161940        0.9951619398    
FOB,PFOB,DIAG,PSTEP=    0.3140490476E-06    0.3155239418E-06     716.3659059       -0.4404869309E-09
J1,K1,R1,R2,RAT=   8   8   -0.7287478898E-01     2.072813269        0.9271252110    
FOB,PFOB,DIAG,PSTEP=   -0.1303286730E-06   -0.1214758722E-06     669.5913972        0.1814234911E-09
J1,K1,R1,R2,RAT=   9   9   -0.1157780753E-01     2.011486978        0.9884221925    
FOB,PFOB,DIAG,PSTEP=    0.4110755425E-06    0.4063704499E-06     622.0392729       -0.6533171194E-09
J1,K1,R1,R2,RAT=  10  10   -0.6189508698E-02     2.006110080        0.9938104913    
FOB,PFOB,DIAG,PSTEP=    0.1060801752E-05    0.1054276042E-05     602.3016790       -0.1750481446E-08
J1,K1,R1,R2,RAT=  11  11   -0.3553072205E-02     2.003532303        0.9964469278    
FOB,PFOB,DIAG,PSTEP=   -0.8361032850E-06   -0.8331430369E-06     589.4950298        0.1413331151E-08
J1,K1,R1,R2,RAT= 109 109     2.011147680       -0.1076635897E-01    0.9892336410    
FOB,PFOB,DIAG,PSTEP=    0.4242455555E-04   -0.4197274802E-04     13.97841848        0.3002109792E-05
J1,K1,R1,R2,RAT= 110 110   -0.3421310926E-01     2.035045402        0.9657868907    
FOB,PFOB,DIAG,PSTEP=    0.1268027176E-04    0.1226096067E-04     12.85797135       -0.9531721686E-06
J1,K1,R1,R2,RAT= 111 111   -0.1614070110E-01     2.017045396        0.9838592989    
FOB,PFOB,DIAG,PSTEP=    0.5625385283E-04    0.5536069639E-04     11.91391303       -0.4644625600E-05
J1,K1,R1,R2,RAT= 112 112     2.003667439       -0.4092149254E-02    0.9959078507    
FOB,PFOB,DIAG,PSTEP=    0.2764506379E-04   -0.2753237328E-04     9.313230043        0.2956892617E-05
J1,K1,R1,R2,RAT= 113 113     8.328719523       -0.4035839279        0.5964160721    
FOB,PFOB,DIAG,PSTEP=    0.3286858022E-03   -0.2983038284E-03     7.528043523        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9995321219        -135.3732005        0.4678781095E-03
FOB,PFOB,DIAG,PSTEP=    0.1289250846        0.1270351941         4.726937786        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00001     -0.00001     -0.00000      0.00000     -0.00001 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00001 
    -0.00000      0.00001     -0.00001      0.00001      0.00000      0.00002 
    -0.00002     -0.00000      0.00000      0.00001      0.00001      0.00001 
     0.00001      0.00002      0.00001     -0.00000     -0.00001      0.00001 
    -0.00000     -0.00001     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001     -0.00001     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00002      0.00001      0.00000      0.00005     -0.00007 
     0.00004      0.00001      0.00006      0.00003      0.00033      0.12893 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4339084534
 Log product of positive Hessian eigenvalues =          520.5006667451
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7269377864
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000037
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000091
 Unscaled step for mode   15=       -0.0000000029
 Unscaled step for mode   16=       -0.0000000012
 Unscaled step for mode   17=       -0.0000000010
 Unscaled step for mode   18=       -0.0000000050
 Unscaled step for mode   19=       -0.0000000094
 Unscaled step for mode   20=       -0.0000000145
 Unscaled step for mode   21=       -0.0000000067
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000043
 Unscaled step for mode   25=        0.0000000134
 Unscaled step for mode   26=       -0.0000000193
 Unscaled step for mode   27=       -0.0000000142
 Unscaled step for mode   28=       -0.0000000112
 Unscaled step for mode   29=        0.0000000101
 Unscaled step for mode   30=        0.0000000091
 Unscaled step for mode   31=        0.0000000020
 Unscaled step for mode   32=       -0.0000000013
 Unscaled step for mode   33=       -0.0000000085
 Unscaled step for mode   34=       -0.0000000039
 Unscaled step for mode   35=       -0.0000000259
 Unscaled step for mode   36=       -0.0000000030
 Unscaled step for mode   37=        0.0000000110
 Unscaled step for mode   38=        0.0000000071
 Unscaled step for mode   39=        0.0000000201
 Unscaled step for mode   40=       -0.0000000048
 Unscaled step for mode   41=       -0.0000000078
 Unscaled step for mode   42=        0.0000000041
 Unscaled step for mode   43=       -0.0000000040
 Unscaled step for mode   44=        0.0000000001
 Unscaled step for mode   45=        0.0000000111
 Unscaled step for mode   46=        0.0000000081
 Unscaled step for mode   47=        0.0000000331
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000168
 Unscaled step for mode   50=        0.0000000158
 Unscaled step for mode   51=        0.0000000148
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000185
 Unscaled step for mode   54=       -0.0000000047
 Unscaled step for mode   55=       -0.0000000354
 Unscaled step for mode   56=        0.0000000137
 Unscaled step for mode   57=        0.0000000065
 Unscaled step for mode   58=        0.0000000310
 Unscaled step for mode   59=       -0.0000000187
 Unscaled step for mode   60=       -0.0000000315
 Unscaled step for mode   61=       -0.0000000253
 Unscaled step for mode   62=        0.0000000858
 Unscaled step for mode   63=        0.0000000550
 Unscaled step for mode   64=        0.0000000085
 Unscaled step for mode   65=       -0.0000000122
 Unscaled step for mode   66=        0.0000000603
 Unscaled step for mode   67=       -0.0000000055
 Unscaled step for mode   68=       -0.0000000161
 Unscaled step for mode   69=        0.0000000079
 Unscaled step for mode   70=        0.0000000212
 Unscaled step for mode   71=       -0.0000000022
 Unscaled step for mode   72=       -0.0000000819
 Unscaled step for mode   73=        0.0000000202
 Unscaled step for mode   74=       -0.0000001101
 Unscaled step for mode   75=        0.0000000561
 Unscaled step for mode   76=       -0.0000000883
 Unscaled step for mode   77=       -0.0000000007
 Unscaled step for mode   78=       -0.0000001668
 Unscaled step for mode   79=        0.0000002125
 Unscaled step for mode   80=        0.0000000391
 Unscaled step for mode   81=       -0.0000000562
 Unscaled step for mode   82=       -0.0000000979
 Unscaled step for mode   83=       -0.0000001106
 Unscaled step for mode   84=       -0.0000000719
 Unscaled step for mode   85=       -0.0000001704
 Unscaled step for mode   86=       -0.0000002200
 Unscaled step for mode   87=       -0.0000000865
 Unscaled step for mode   88=        0.0000000157
 Unscaled step for mode   89=        0.0000002120
 Unscaled step for mode   90=       -0.0000000976
 Unscaled step for mode   91=        0.0000000244
 Unscaled step for mode   92=        0.0000002177
 Unscaled step for mode   93=        0.0000003794
 Unscaled step for mode   94=       -0.0000001379
 Unscaled step for mode   95=        0.0000004033
 Unscaled step for mode   96=        0.0000001167
 Unscaled step for mode   97=       -0.0000002364
 Unscaled step for mode   98=        0.0000002036
 Unscaled step for mode   99=        0.0000002690
 Unscaled step for mode  100=        0.0000005426
 Unscaled step for mode  101=        0.0000014706
 Unscaled step for mode  102=        0.0000007394
 Unscaled step for mode  103=        0.0000005806
 Unscaled step for mode  104=        0.0000008597
 Unscaled step for mode  105=       -0.0000002782
 Unscaled step for mode  106=       -0.0000001890
 Unscaled step for mode  107=       -0.0000024578
 Unscaled step for mode  108=        0.0000041352
 Unscaled step for mode  109=       -0.0000030350
 Unscaled step for mode  110=       -0.0000009862
 Unscaled step for mode  111=       -0.0000047217
 Unscaled step for mode  112=       -0.0000029684
 Unscaled step for mode  113=       -0.0000436615
 Unscaled step for mode  114=        0.0272542871
 Largest modulus ratio of non-zero e/values=           151.5496794    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.507949E-15    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.579289E-15    0.100779E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.383870E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.438966E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.310299E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.822679E-15    0.973447E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.314049E-06    0.716366E+03 -0.438392E-09 0.100000E-04    0.995162E+00
   8   -0.130329E-06    0.669591E+03  0.194639E-09 0.100000E-04    0.927125E+00
   9    0.411076E-06    0.622039E+03 -0.660851E-09 0.100000E-04    0.988422E+00
  10    0.106080E-05    0.602302E+03 -0.176125E-08 0.100000E-04    0.993810E+00
  11   -0.836103E-06    0.589495E+03  0.141834E-08 0.100000E-04    0.996447E+00
  12    0.206494E-05    0.562863E+03 -0.366863E-08 0.100000E-04    0.993630E+00
  13    0.205771E-05    0.559580E+03 -0.367724E-08 0.100000E-04    0.998057E+00
  14   -0.434162E-05    0.477351E+03  0.909524E-08 0.100000E-04    0.993801E+00
  15    0.138110E-05    0.471471E+03 -0.292934E-08 0.100000E-04    0.995599E+00
  16    0.553139E-06    0.464033E+03 -0.119203E-08 0.100000E-04    0.982867E+00
  17    0.453551E-06    0.441711E+03 -0.102680E-08 0.100000E-04    0.978626E+00
  18    0.217965E-05    0.432302E+03 -0.504196E-08 0.100000E-04    0.991904E+00
  19    0.395578E-05    0.419956E+03 -0.941951E-08 0.100000E-04    0.989552E+00
  20    0.587457E-05    0.405124E+03 -0.145007E-07 0.100000E-04    0.993046E+00
  21    0.268721E-05    0.398559E+03 -0.674232E-08 0.100000E-04    0.988264E+00
  22   -0.909271E-06    0.388096E+03  0.234290E-08 0.100000E-04    0.994842E+00
  23   -0.189085E-05    0.366934E+03  0.515309E-08 0.100000E-04    0.996975E+00
  24    0.158232E-05    0.364520E+03 -0.434084E-08 0.100000E-04    0.994026E+00
  25   -0.473456E-05    0.353248E+03  0.134029E-07 0.100000E-04    0.989225E+00
  26    0.665823E-05    0.345704E+03 -0.192599E-07 0.100000E-04    0.987886E+00
  27    0.460774E-05    0.324488E+03 -0.142000E-07 0.100000E-04    0.988493E+00
  28    0.362377E-05    0.323850E+03 -0.111897E-07 0.100000E-04    0.993816E+00
  29   -0.322322E-05    0.319026E+03  0.101033E-07 0.100000E-04    0.982196E+00
  30   -0.287855E-05    0.315639E+03  0.911974E-08 0.100000E-04    0.989936E+00
  31   -0.605745E-06    0.305419E+03  0.198332E-08 0.100000E-04    0.972983E+00
  32    0.371690E-06    0.287269E+03 -0.129387E-08 0.100000E-04    0.985784E+00
  33    0.237808E-05    0.280107E+03 -0.848990E-08 0.100000E-04    0.988385E+00
  34    0.104772E-05    0.271927E+03 -0.385294E-08 0.100000E-04    0.989345E+00
  35    0.689807E-05    0.265865E+03 -0.259458E-07 0.100000E-04    0.987965E+00
  36    0.791742E-06    0.261781E+03 -0.302444E-08 0.100000E-04    0.982089E+00
  37   -0.283065E-05    0.257670E+03  0.109856E-07 0.100000E-04    0.987290E+00
  38   -0.179616E-05    0.253367E+03  0.708917E-08 0.100000E-04    0.990175E+00
  39   -0.492522E-05    0.244863E+03  0.201142E-07 0.100000E-04    0.987125E+00
  40    0.116145E-05    0.240022E+03 -0.483891E-08 0.100000E-04    0.970814E+00
  41    0.181459E-05    0.233743E+03 -0.776321E-08 0.100000E-04    0.977723E+00
  42   -0.927062E-06    0.228349E+03  0.405984E-08 0.100000E-04    0.979735E+00
  43    0.895993E-06    0.225668E+03 -0.397041E-08 0.100000E-04    0.985928E+00
  44   -0.108975E-07    0.213112E+03  0.511348E-10 0.100000E-04    0.710369E+00
  45   -0.233694E-05    0.211198E+03  0.110652E-07 0.100000E-04    0.985926E+00
  46   -0.171026E-05    0.210029E+03  0.814293E-08 0.100000E-04    0.978973E+00
  47   -0.671264E-05    0.202816E+03  0.330972E-07 0.100000E-04    0.986245E+00
  48   -0.119526E-05    0.198844E+03  0.601104E-08 0.100000E-04    0.997563E+00
  49    0.327120E-05    0.195185E+03 -0.167595E-07 0.100000E-04    0.984422E+00
  50   -0.302695E-05    0.191718E+03  0.157885E-07 0.100000E-04    0.987866E+00
  51   -0.275177E-05    0.186560E+03  0.147501E-07 0.100000E-04    0.987415E+00
  52    0.427116E-06    0.178961E+03 -0.238665E-08 0.100000E-04    0.994641E+00
  53   -0.315288E-05    0.170687E+03  0.184717E-07 0.100000E-04    0.988263E+00
  54    0.796249E-06    0.168135E+03 -0.473577E-08 0.100000E-04    0.974507E+00
  55    0.586927E-05    0.165819E+03 -0.353956E-07 0.100000E-04    0.987871E+00
  56   -0.220913E-05    0.160731E+03  0.137443E-07 0.100000E-04    0.988365E+00
  57   -0.100604E-05    0.154060E+03  0.653020E-08 0.100000E-04    0.990490E+00
  58   -0.468717E-05    0.151078E+03  0.310247E-07 0.100000E-04    0.988606E+00
  59    0.276903E-05    0.148218E+03 -0.186821E-07 0.100000E-04    0.985764E+00
  60    0.447748E-05    0.142314E+03 -0.314621E-07 0.100000E-04    0.986088E+00
  61    0.346008E-05    0.136871E+03 -0.252799E-07 0.100000E-04    0.987144E+00
  62   -0.115336E-04    0.134490E+03  0.857582E-07 0.100000E-04    0.988443E+00
  63   -0.720924E-05    0.131039E+03  0.550160E-07 0.100000E-04    0.988012E+00
  64   -0.108643E-05    0.127721E+03  0.850621E-08 0.100000E-04    0.983221E+00
  65    0.152909E-05    0.125540E+03 -0.121801E-07 0.100000E-04    0.993582E+00
  66   -0.749143E-05    0.124161E+03  0.603364E-07 0.100000E-04    0.987215E+00
  67    0.659429E-06    0.119434E+03 -0.552127E-08 0.100000E-04    0.992074E+00
  68    0.189706E-05    0.118021E+03 -0.160740E-07 0.100000E-04    0.986020E+00
  69   -0.919589E-06    0.116179E+03  0.791529E-08 0.100000E-04    0.996823E+00
  70   -0.239195E-05    0.112980E+03  0.211714E-07 0.100000E-04    0.977269E+00
  71    0.247757E-06    0.110530E+03 -0.224154E-08 0.100000E-04    0.997702E+00
  72    0.866578E-05    0.105774E+03 -0.819276E-07 0.100000E-04    0.986039E+00
  73   -0.207523E-05    0.102850E+03  0.201773E-07 0.100000E-04    0.975394E+00
  74    0.110890E-04    0.100730E+03 -0.110086E-06 0.100000E-04    0.986976E+00
  75   -0.545332E-05    0.972122E+02  0.560970E-07 0.100000E-04    0.982661E+00
  76    0.839154E-05    0.949986E+02 -0.883333E-07 0.100000E-04    0.985823E+00
  77    0.660422E-07    0.916560E+02 -0.720544E-09 0.100000E-04    0.964182E+00
  78    0.150673E-04    0.903330E+02 -0.166798E-06 0.100000E-04    0.985358E+00
  79   -0.186123E-04    0.875869E+02  0.212501E-06 0.100000E-04    0.988240E+00
  80   -0.330361E-05    0.844263E+02  0.391301E-07 0.100000E-04    0.982802E+00
  81    0.454598E-05    0.809242E+02 -0.561758E-07 0.100000E-04    0.984799E+00
  82    0.772924E-05    0.789776E+02 -0.978662E-07 0.100000E-04    0.980048E+00
  83    0.871132E-05    0.787312E+02 -0.110646E-06 0.100000E-04    0.997811E+00
  84    0.526019E-05    0.731716E+02 -0.718884E-07 0.100000E-04    0.984383E+00
  85    0.121301E-04    0.711722E+02 -0.170433E-06 0.100000E-04    0.987707E+00
  86    0.153636E-04    0.698383E+02 -0.219988E-06 0.100000E-04    0.986670E+00
  87    0.583786E-05    0.674789E+02 -0.865138E-07 0.100000E-04    0.993917E+00
  88   -0.100337E-05    0.637570E+02  0.157374E-07 0.100000E-04    0.995715E+00
  89   -0.132375E-04    0.624378E+02  0.212011E-06 0.100000E-04    0.986838E+00
  90    0.582129E-05    0.596580E+02 -0.975777E-07 0.100000E-04    0.985062E+00
  91   -0.142702E-05    0.584137E+02  0.244296E-07 0.100000E-04    0.999035E+00
  92   -0.121595E-04    0.558474E+02  0.217727E-06 0.100000E-04    0.983099E+00
  93   -0.203740E-04    0.536961E+02  0.379432E-06 0.100000E-04    0.988050E+00
  94    0.722314E-05    0.523969E+02 -0.137854E-06 0.100000E-04    0.983434E+00
  95   -0.202763E-04    0.502735E+02  0.403321E-06 0.100000E-04    0.989071E+00
  96   -0.560895E-05    0.480535E+02  0.116723E-06 0.100000E-04    0.989667E+00
  97    0.103759E-04    0.438829E+02 -0.236445E-06 0.100000E-04    0.986042E+00
  98   -0.807133E-05    0.396524E+02  0.203552E-06 0.100000E-04    0.988136E+00
  99   -0.101939E-04    0.379009E+02  0.268961E-06 0.100000E-04    0.980067E+00
 100   -0.195658E-04    0.360626E+02  0.542551E-06 0.100000E-04    0.988600E+00
 101   -0.506621E-04    0.344499E+02  0.147060E-05 0.100000E-04    0.986044E+00
 102   -0.222177E-04    0.300486E+02  0.739391E-06 0.100000E-04    0.988749E+00
 103   -0.168650E-04    0.290480E+02  0.580590E-06 0.100000E-04    0.986602E+00
 104   -0.246652E-04    0.286891E+02  0.859744E-06 0.100000E-04    0.988495E+00
 105    0.660100E-05    0.237281E+02 -0.278193E-06 0.100000E-04    0.973988E+00
 106    0.413178E-05    0.218579E+02 -0.189029E-06 0.100000E-04    0.995966E+00
 107    0.483553E-04    0.196739E+02 -0.245784E-05 0.100000E-04    0.984861E+00
 108   -0.679122E-04    0.164231E+02  0.413516E-05 0.100000E-04    0.991321E+00
 109    0.424246E-04    0.139784E+02 -0.303500E-05 0.100000E-04    0.989234E+00
 110    0.126803E-04    0.128580E+02 -0.986180E-06 0.100000E-04    0.965787E+00
 111    0.562539E-04    0.119139E+02 -0.472169E-05 0.100000E-04    0.983859E+00
 112    0.276451E-04    0.931323E+01 -0.296836E-05 0.100000E-04    0.995908E+00
 113    0.328686E-03    0.752804E+01 -0.100000E-04 0.100000E-04    0.596416E+00
 114    0.128925E+00    0.472694E+01  0.400000E-03 0.400000E-03    0.467878E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2725428710E-01

 Beginning of optimization cycle   48.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4012642296
 potential> RMS force:                                               0.0122520920   |gradient|=.1308165451    
 Eigenvalues of the Hessian matrix:
   716.42467    669.61195    622.06741    602.32545    589.50104    562.88714 
   559.61736    477.36403    471.44894    464.01976    441.70650    432.28994 
   419.96362    405.13440    398.55591    388.10221    366.93385    364.50891 
   353.23660    345.66386    324.45614    323.85435    319.02188    315.66037 
   305.41891    287.26967    280.10492    271.91872    265.86213    261.78608 
   257.66863    253.36669    244.84714    240.01252    233.75111    228.35204 
   225.64942    213.10321    211.19316    210.03107    202.81754    198.83894 
   195.18800    191.71620    186.55863    178.94579    170.68604    168.13592 
   165.81772    160.72939    154.05295    151.07781    148.22503    142.31872 
   136.87163    134.49326    131.03865    127.72094    125.54367    124.16949 
   119.43375    118.01883    116.18286    112.97460    110.52484    105.76976 
   102.84874    100.72555     97.21325     94.99940     91.64917     90.33753 
    87.59730     84.42676     80.92293     78.97838     78.73217     73.16889 
    71.17533     69.83008     67.48280     63.75131     62.43567     59.65824 
    58.41669     55.84659     53.69590     52.39485     50.27428     48.05274 
    43.87857     39.65568     37.89319     36.06559     34.45477     30.03874 
    29.04681     28.68959     23.72242     21.85853     19.67053     16.42800 
    13.97577     12.85263     11.90846      9.31521      7.52962      4.72946 
overlap for current and previous eigenvector    109 is         0.9999926442
overlap for current and previous eigenvector    110 is         0.9999904680
overlap for current and previous eigenvector    111 is        -0.9999894632
overlap for current and previous eigenvector    112 is        -0.9999996465
overlap for current and previous eigenvector    113 is         0.9999992909
overlap for current and previous eigenvector    114 is        -0.9999990858
J1,K1,R1,R2,RAT=   7   7    0.4972372657E-02     1.994863578        0.9948635780    
FOB,PFOB,DIAG,PSTEP=    0.3124873506E-06    0.3140490476E-06     716.4246703       -0.4383919517E-09
J1,K1,R1,R2,RAT=   8   8   -0.6858339307E-01     2.068522018        0.9314166069    
FOB,PFOB,DIAG,PSTEP=   -0.1392673299E-06   -0.1303286730E-06     669.6119459        0.1946391091E-09
J1,K1,R1,R2,RAT=   9   9   -0.1140964884E-01     2.011319198        0.9885903512    
FOB,PFOB,DIAG,PSTEP=    0.4157659822E-06    0.4110755425E-06     622.0674063       -0.6608514291E-09
J1,K1,R1,R2,RAT=  10  10   -0.6111299115E-02     2.006032385        0.9938887009    
FOB,PFOB,DIAG,PSTEP=    0.1067284885E-05    0.1060801752E-05     602.3254451       -0.1761246547E-08
J1,K1,R1,R2,RAT=  11  11   -0.3499242802E-02     2.003478842        0.9965007572    
FOB,PFOB,DIAG,PSTEP=   -0.8390290433E-06   -0.8361032850E-06     589.5010428        0.1418338142E-08
J1,K1,R1,R2,RAT= 109 109   -0.1056060877E-01     2.010939206        0.9894393912    
FOB,PFOB,DIAG,PSTEP=    0.4287249989E-04    0.4242455555E-04     13.97577289       -0.3035003967E-05
J1,K1,R1,R2,RAT= 110 110   -0.3390167603E-01     2.034733584        0.9660983240    
FOB,PFOB,DIAG,PSTEP=    0.1310997549E-04    0.1268027176E-04     12.85262525       -0.9861798112E-06
J1,K1,R1,R2,RAT= 111 111     2.016791791       -0.1587601505E-01    0.9841239849    
FOB,PFOB,DIAG,PSTEP=   -0.5714653109E-04    0.5625385283E-04     11.90846029       -0.4721694098E-05
J1,K1,R1,R2,RAT= 112 112     2.003356366       -0.3780814677E-02    0.9962191853    
FOB,PFOB,DIAG,PSTEP=   -0.2774960684E-04    0.2764506379E-04     9.315206955       -0.2968364752E-05
J1,K1,R1,R2,RAT= 113 113   -0.4196177520         9.150096609        0.5803822480    
FOB,PFOB,DIAG,PSTEP=    0.3602814110E-03    0.3286858022E-03     7.529616819       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -137.2994648        0.9995227350        0.4772649862E-03
FOB,PFOB,DIAG,PSTEP=   -0.1308159666        0.1289250846         4.729462195        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00001      0.00001      0.00000      0.00000      0.00001 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00001 
     0.00000      0.00001     -0.00001      0.00001      0.00000      0.00002 
    -0.00002      0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00001      0.00002     -0.00001      0.00000     -0.00001      0.00001 
     0.00000      0.00001     -0.00002     -0.00001      0.00002      0.00001 
    -0.00001     -0.00001      0.00001      0.00002     -0.00005      0.00002 
    -0.00002     -0.00002     -0.00001     -0.00000      0.00005      0.00007 
     0.00004      0.00001     -0.00006     -0.00003      0.00036     -0.13082 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4339890068
 Log product of positive Hessian eigenvalues =          520.4997697089
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7294621945
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000037
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000092
 Unscaled step for mode   15=       -0.0000000029
 Unscaled step for mode   16=       -0.0000000012
 Unscaled step for mode   17=       -0.0000000010
 Unscaled step for mode   18=       -0.0000000051
 Unscaled step for mode   19=       -0.0000000095
 Unscaled step for mode   20=       -0.0000000146
 Unscaled step for mode   21=       -0.0000000068
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000044
 Unscaled step for mode   25=        0.0000000135
 Unscaled step for mode   26=       -0.0000000195
 Unscaled step for mode   27=       -0.0000000144
 Unscaled step for mode   28=       -0.0000000113
 Unscaled step for mode   29=        0.0000000103
 Unscaled step for mode   30=        0.0000000092
 Unscaled step for mode   31=        0.0000000020
 Unscaled step for mode   32=       -0.0000000013
 Unscaled step for mode   33=       -0.0000000086
 Unscaled step for mode   34=       -0.0000000039
 Unscaled step for mode   35=       -0.0000000263
 Unscaled step for mode   36=       -0.0000000031
 Unscaled step for mode   37=        0.0000000111
 Unscaled step for mode   38=        0.0000000072
 Unscaled step for mode   39=        0.0000000204
 Unscaled step for mode   40=       -0.0000000050
 Unscaled step for mode   41=       -0.0000000079
 Unscaled step for mode   42=        0.0000000041
 Unscaled step for mode   43=       -0.0000000040
 Unscaled step for mode   44=        0.0000000001
 Unscaled step for mode   45=        0.0000000112
 Unscaled step for mode   46=        0.0000000083
 Unscaled step for mode   47=        0.0000000335
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000170
 Unscaled step for mode   50=        0.0000000160
 Unscaled step for mode   51=        0.0000000149
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000187
 Unscaled step for mode   54=        0.0000000049
 Unscaled step for mode   55=       -0.0000000358
 Unscaled step for mode   56=        0.0000000139
 Unscaled step for mode   57=        0.0000000066
 Unscaled step for mode   58=       -0.0000000314
 Unscaled step for mode   59=       -0.0000000189
 Unscaled step for mode   60=        0.0000000319
 Unscaled step for mode   61=       -0.0000000256
 Unscaled step for mode   62=        0.0000000867
 Unscaled step for mode   63=       -0.0000000557
 Unscaled step for mode   64=       -0.0000000086
 Unscaled step for mode   65=       -0.0000000123
 Unscaled step for mode   66=       -0.0000000611
 Unscaled step for mode   67=        0.0000000056
 Unscaled step for mode   68=        0.0000000163
 Unscaled step for mode   69=        0.0000000079
 Unscaled step for mode   70=       -0.0000000216
 Unscaled step for mode   71=       -0.0000000022
 Unscaled step for mode   72=        0.0000000831
 Unscaled step for mode   73=       -0.0000000207
 Unscaled step for mode   74=       -0.0000001115
 Unscaled step for mode   75=        0.0000000571
 Unscaled step for mode   76=       -0.0000000896
 Unscaled step for mode   77=       -0.0000000007
 Unscaled step for mode   78=       -0.0000001692
 Unscaled step for mode   79=        0.0000002149
 Unscaled step for mode   80=       -0.0000000398
 Unscaled step for mode   81=       -0.0000000570
 Unscaled step for mode   82=        0.0000000998
 Unscaled step for mode   83=        0.0000001108
 Unscaled step for mode   84=       -0.0000000730
 Unscaled step for mode   85=        0.0000001725
 Unscaled step for mode   86=       -0.0000002229
 Unscaled step for mode   87=        0.0000000870
 Unscaled step for mode   88=       -0.0000000158
 Unscaled step for mode   89=        0.0000002148
 Unscaled step for mode   90=       -0.0000000990
 Unscaled step for mode   91=       -0.0000000244
 Unscaled step for mode   92=       -0.0000002214
 Unscaled step for mode   93=        0.0000003839
 Unscaled step for mode   94=        0.0000001401
 Unscaled step for mode   95=       -0.0000004076
 Unscaled step for mode   96=       -0.0000001179
 Unscaled step for mode   97=        0.0000002397
 Unscaled step for mode   98=        0.0000002059
 Unscaled step for mode   99=       -0.0000002743
 Unscaled step for mode  100=       -0.0000005486
 Unscaled step for mode  101=        0.0000014906
 Unscaled step for mode  102=       -0.0000007478
 Unscaled step for mode  103=        0.0000005883
 Unscaled step for mode  104=        0.0000008694
 Unscaled step for mode  105=        0.0000002854
 Unscaled step for mode  106=        0.0000001897
 Unscaled step for mode  107=       -0.0000024949
 Unscaled step for mode  108=       -0.0000041688
 Unscaled step for mode  109=       -0.0000030676
 Unscaled step for mode  110=       -0.0000010200
 Unscaled step for mode  111=        0.0000047988
 Unscaled step for mode  112=        0.0000029790
 Unscaled step for mode  113=       -0.0000478486
 Unscaled step for mode  114=       -0.0276386683
 Largest modulus ratio of non-zero e/values=           151.4812131    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.479217E-15    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.836896E-15    0.100779E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.533580E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.217274E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.377790E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.410167E-15    0.973448E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.312487E-06    0.716425E+03 -0.436176E-09 0.100000E-04    0.994864E+00
   8   -0.139267E-06    0.669612E+03  0.207982E-09 0.100000E-04    0.931417E+00
   9    0.415766E-06    0.622067E+03 -0.668362E-09 0.100000E-04    0.988590E+00
  10    0.106728E-05    0.602325E+03 -0.177194E-08 0.100000E-04    0.993889E+00
  11   -0.839029E-06    0.589501E+03  0.142329E-08 0.100000E-04    0.996501E+00
  12    0.207796E-05    0.562887E+03 -0.369161E-08 0.100000E-04    0.993693E+00
  13    0.206149E-05    0.559617E+03 -0.368376E-08 0.100000E-04    0.998162E+00
  14   -0.436814E-05    0.477364E+03  0.915055E-08 0.100000E-04    0.993891E+00
  15    0.138709E-05    0.471449E+03 -0.294220E-08 0.100000E-04    0.995658E+00
  16    0.562554E-06    0.464020E+03 -0.121235E-08 0.100000E-04    0.982980E+00
  17    0.463128E-06    0.441706E+03 -0.104850E-08 0.100000E-04    0.978883E+00
  18    0.219712E-05    0.432290E+03 -0.508252E-08 0.100000E-04    0.991983E+00
  19    0.399676E-05    0.419964E+03 -0.951693E-08 0.100000E-04    0.989640E+00
  20    0.591490E-05    0.405134E+03 -0.145998E-07 0.100000E-04    0.993136E+00
  21    0.271841E-05    0.398556E+03 -0.682065E-08 0.100000E-04    0.988390E+00
  22   -0.904348E-06    0.388102E+03  0.233018E-08 0.100000E-04    0.994555E+00
  23   -0.189637E-05    0.366934E+03  0.516815E-08 0.100000E-04    0.997079E+00
  24    0.159159E-05    0.364509E+03 -0.436640E-08 0.100000E-04    0.994141E+00
  25   -0.478512E-05    0.353237E+03  0.135465E-07 0.100000E-04    0.989321E+00
  26    0.673823E-05    0.345664E+03 -0.194936E-07 0.100000E-04    0.987983E+00
  27    0.466128E-05    0.324456E+03 -0.143664E-07 0.100000E-04    0.988379E+00
  28    0.364411E-05    0.323854E+03 -0.112523E-07 0.100000E-04    0.994390E+00
  29   -0.328016E-05    0.319022E+03  0.102819E-07 0.100000E-04    0.982332E+00
  30   -0.290745E-05    0.315660E+03  0.921069E-08 0.100000E-04    0.989959E+00
  31   -0.621878E-06    0.305419E+03  0.203615E-08 0.100000E-04    0.973366E+00
  32    0.366151E-06    0.287270E+03 -0.127459E-08 0.100000E-04    0.985093E+00
  33    0.240544E-05    0.280105E+03 -0.858766E-08 0.100000E-04    0.988495E+00
  34    0.105883E-05    0.271919E+03 -0.389393E-08 0.100000E-04    0.989390E+00
  35    0.698026E-05    0.265862E+03 -0.262552E-07 0.100000E-04    0.988086E+00
  36    0.805888E-06    0.261786E+03 -0.307842E-08 0.100000E-04    0.982133E+00
  37   -0.286632E-05    0.257669E+03  0.111241E-07 0.100000E-04    0.987398E+00
  38   -0.181361E-05    0.253367E+03  0.715804E-08 0.100000E-04    0.990287E+00
  39   -0.498799E-05    0.244847E+03  0.203718E-07 0.100000E-04    0.987256E+00
  40    0.119490E-05    0.240013E+03 -0.497847E-08 0.100000E-04    0.971200E+00
  41    0.185461E-05    0.233751E+03 -0.793412E-08 0.100000E-04    0.977949E+00
  42   -0.945644E-06    0.228352E+03  0.414117E-08 0.100000E-04    0.979956E+00
  43    0.908535E-06    0.225649E+03 -0.402631E-08 0.100000E-04    0.986002E+00
  44   -0.307921E-07    0.213103E+03  0.144494E-09 0.100000E-04    0.825702E+00
  45   -0.236910E-05    0.211193E+03  0.112177E-07 0.100000E-04    0.986238E+00
  46   -0.174633E-05    0.210031E+03  0.831465E-08 0.100000E-04    0.978905E+00
  47   -0.680405E-05    0.202818E+03  0.335477E-07 0.100000E-04    0.986383E+00
  48   -0.119790E-05    0.198839E+03  0.602446E-08 0.100000E-04    0.997795E+00
  49    0.332168E-05    0.195188E+03 -0.170179E-07 0.100000E-04    0.984567E+00
  50   -0.306327E-05    0.191716E+03  0.159781E-07 0.100000E-04    0.988001E+00
  51   -0.278603E-05    0.186559E+03  0.149338E-07 0.100000E-04    0.987550E+00
  52    0.429324E-06    0.178946E+03 -0.239918E-08 0.100000E-04    0.994831E+00
  53   -0.318941E-05    0.170686E+03  0.186859E-07 0.100000E-04    0.988413E+00
  54   -0.816323E-06    0.168136E+03  0.485514E-08 0.100000E-04    0.974789E+00
  55    0.593962E-05    0.165818E+03 -0.358202E-07 0.100000E-04    0.988014E+00
  56   -0.223453E-05    0.160729E+03  0.139024E-07 0.100000E-04    0.988505E+00
  57   -0.101551E-05    0.154053E+03  0.659195E-08 0.100000E-04    0.990592E+00
  58    0.473996E-05    0.151078E+03 -0.313743E-07 0.100000E-04    0.988736E+00
  59    0.280796E-05    0.148225E+03 -0.189439E-07 0.100000E-04    0.985941E+00
  60   -0.453903E-05    0.142319E+03  0.318934E-07 0.100000E-04    0.986254E+00
  61    0.350410E-05    0.136872E+03 -0.256014E-07 0.100000E-04    0.987276E+00
  62   -0.116651E-04    0.134493E+03  0.867341E-07 0.100000E-04    0.988593E+00
  63    0.729460E-05    0.131039E+03 -0.556676E-07 0.100000E-04    0.988159E+00
  64    0.110454E-05    0.127721E+03 -0.864809E-08 0.100000E-04    0.983325E+00
  65    0.153849E-05    0.125544E+03 -0.122546E-07 0.100000E-04    0.993852E+00
  66    0.758611E-05    0.124169E+03 -0.610948E-07 0.100000E-04    0.987363E+00
  67   -0.664590E-06    0.119434E+03  0.556450E-08 0.100000E-04    0.992175E+00
  68   -0.192329E-05    0.118019E+03  0.162965E-07 0.100000E-04    0.986170E+00
  69   -0.916404E-06    0.116183E+03  0.788760E-08 0.100000E-04    0.996466E+00
  70    0.244558E-05    0.112975E+03 -0.216472E-07 0.100000E-04    0.977578E+00
  71    0.247046E-06    0.110525E+03 -0.223521E-08 0.100000E-04    0.997128E+00
  72   -0.878544E-05    0.105770E+03  0.830619E-07 0.100000E-04    0.986192E+00
  73    0.212569E-05    0.102849E+03 -0.206682E-07 0.100000E-04    0.975685E+00
  74    0.112315E-04    0.100726E+03 -0.111506E-06 0.100000E-04    0.987149E+00
  75   -0.554697E-05    0.972132E+02  0.570598E-07 0.100000E-04    0.982826E+00
  76    0.850909E-05    0.949994E+02 -0.895700E-07 0.100000E-04    0.985991E+00
  77    0.683585E-07    0.916492E+02 -0.745872E-09 0.100000E-04    0.964924E+00
  78    0.152854E-04    0.903375E+02 -0.169203E-06 0.100000E-04    0.985528E+00
  79   -0.188276E-04    0.875973E+02  0.214934E-06 0.100000E-04    0.988431E+00
  80    0.335982E-05    0.844268E+02 -0.397956E-07 0.100000E-04    0.982987E+00
  81    0.461418E-05    0.809229E+02 -0.570195E-07 0.100000E-04    0.984998E+00
  82   -0.788117E-05    0.789784E+02  0.997890E-07 0.100000E-04    0.980343E+00
  83   -0.872710E-05    0.787322E+02  0.110845E-06 0.100000E-04    0.998189E+00
  84    0.534146E-05    0.731689E+02 -0.730018E-07 0.100000E-04    0.984549E+00
  85   -0.122773E-04    0.711753E+02  0.172493E-06 0.100000E-04    0.987865E+00
  86    0.155653E-04    0.698301E+02 -0.222903E-06 0.100000E-04    0.986866E+00
  87   -0.587190E-05    0.674828E+02  0.870132E-07 0.100000E-04    0.994170E+00
  88    0.100693E-05    0.637513E+02 -0.157947E-07 0.100000E-04    0.996450E+00
  89   -0.134095E-04    0.624357E+02  0.214773E-06 0.100000E-04    0.987009E+00
  90    0.590712E-05    0.596582E+02 -0.990161E-07 0.100000E-04    0.985255E+00
  91    0.142798E-05    0.584167E+02 -0.244447E-07 0.100000E-04    0.999332E+00
  92    0.123626E-04    0.558466E+02 -0.221367E-06 0.100000E-04    0.983298E+00
  93   -0.206134E-04    0.536959E+02  0.383891E-06 0.100000E-04    0.988253E+00
  94   -0.734141E-05    0.523949E+02  0.140117E-06 0.100000E-04    0.983626E+00
  95    0.204939E-04    0.502743E+02 -0.407643E-06 0.100000E-04    0.989268E+00
  96    0.566589E-05    0.480527E+02 -0.117910E-06 0.100000E-04    0.989848E+00
  97   -0.105187E-04    0.438786E+02  0.239722E-06 0.100000E-04    0.986237E+00
  98   -0.816570E-05    0.396557E+02  0.205915E-06 0.100000E-04    0.988309E+00
  99    0.103950E-04    0.378932E+02 -0.274323E-06 0.100000E-04    0.980265E+00
 100    0.197852E-04    0.360656E+02 -0.548589E-06 0.100000E-04    0.988787E+00
 101   -0.513580E-04    0.344548E+02  0.149059E-05 0.100000E-04    0.986266E+00
 102    0.224638E-04    0.300387E+02 -0.747826E-06 0.100000E-04    0.988920E+00
 103   -0.170875E-04    0.290468E+02  0.588276E-06 0.100000E-04    0.986803E+00
 104   -0.249439E-04    0.286896E+02  0.869441E-06 0.100000E-04    0.988703E+00
 105   -0.676977E-05    0.237224E+02  0.285374E-06 0.100000E-04    0.974427E+00
 106   -0.414724E-05    0.218585E+02  0.189731E-06 0.100000E-04    0.996257E+00
 107    0.490763E-04    0.196705E+02 -0.249491E-05 0.100000E-04    0.985088E+00
 108    0.684857E-04    0.164280E+02 -0.416884E-05 0.100000E-04    0.991558E+00
 109    0.428725E-04    0.139758E+02 -0.306763E-05 0.100000E-04    0.989439E+00
 110    0.131100E-04    0.128526E+02 -0.102002E-05 0.100000E-04    0.966098E+00
 111   -0.571465E-04    0.119085E+02  0.479882E-05 0.100000E-04    0.984124E+00
 112   -0.277496E-04    0.931521E+01  0.297896E-05 0.100000E-04    0.996219E+00
 113    0.360281E-03    0.752962E+01 -0.100000E-04 0.100000E-04    0.580382E+00
 114   -0.130816E+00    0.472946E+01 -0.400000E-03 0.400000E-03    0.477265E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2763866829E-01

 Beginning of optimization cycle   49.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4012115286
 potential> RMS force:                                               0.0124292888   |gradient|=.1327084892    
 Eigenvalues of the Hessian matrix:
   716.48345    669.63245    622.09542    602.34906    589.50695    562.91115 
   559.65464    477.37735    471.42724    464.00688    441.70213    432.27839 
   419.97097    405.14475    398.55258    388.10827    366.93337    364.49820 
   353.22525    345.62326    324.42403    323.85899    319.01792    315.68138 
   305.41834    287.27016    280.10237    271.91077    265.85948    261.79124 
   257.66729    253.36642    244.83095    240.00257    233.75937    228.35480 
   225.63130    213.09432    211.18848    210.03252    202.81883    198.83365 
   195.19099    191.71400    186.55757    178.93102    170.68504    168.13673 
   165.81635    160.72763    154.04568    151.07730    148.23189    142.32389 
   136.87247    134.49690    131.03838    127.72038    125.54698    124.17792 
   119.43311    118.01709    116.18700    112.96882    110.51959    105.76578 
   102.84774    100.72152     97.21422     95.00018     91.64236     90.34206 
    87.60772     84.42720     80.92170     78.97926     78.73306     73.16621 
    71.17846     69.82186     67.48671     63.74566     62.43343     59.65846 
    58.41968     55.84577     53.69562     52.39284     50.27510     48.05202 
    43.87428     39.65895     37.88547     36.06856     34.45966     30.02890 
    29.04561     28.69011     23.71672     21.85917     19.66721     16.43285 
    13.97315     12.84728     11.90294      9.31718      7.53117      4.73195 
overlap for current and previous eigenvector    109 is         0.9999927104
overlap for current and previous eigenvector    110 is         0.9999903994
overlap for current and previous eigenvector    111 is        -0.9999893220
overlap for current and previous eigenvector    112 is         0.9999996464
overlap for current and previous eigenvector    113 is        -0.9999992919
overlap for current and previous eigenvector    114 is        -0.9999990900
J1,K1,R1,R2,RAT=   7   7    0.5276729786E-02     1.994559187        0.9945591869    
FOB,PFOB,DIAG,PSTEP=    0.3108383040E-06    0.3124873506E-06     716.4834518       -0.4361761446E-09
J1,K1,R1,R2,RAT=   8   8   -0.6479440000E-01     2.064733171        0.9352056000    
FOB,PFOB,DIAG,PSTEP=   -0.1482913493E-06   -0.1392673299E-06     669.6324462        0.2079821467E-09
J1,K1,R1,R2,RAT=   9   9   -0.1124382136E-01     2.011153747        0.9887561786    
FOB,PFOB,DIAG,PSTEP=    0.4204409912E-06    0.4157659822E-06     622.0954237       -0.6683616244E-09
J1,K1,R1,R2,RAT=  10  10   -0.6034042223E-02     2.005955640        0.9939659578    
FOB,PFOB,DIAG,PSTEP=    0.1073725179E-05    0.1067284885E-05     602.3490577       -0.1771940557E-08
J1,K1,R1,R2,RAT=  11  11   -0.3446085615E-02     2.003426052        0.9965539144    
FOB,PFOB,DIAG,PSTEP=   -0.8419204382E-06   -0.8390290433E-06     589.5069477        0.1423286784E-08
J1,K1,R1,R2,RAT= 109 109   -0.1036073550E-01     2.010736595        0.9896392645    
FOB,PFOB,DIAG,PSTEP=    0.4331660706E-04    0.4287249989E-04     13.97314692       -0.3067629979E-05
J1,K1,R1,R2,RAT= 110 110   -0.3358897400E-01     2.034420347        0.9664110260    
FOB,PFOB,DIAG,PSTEP=    0.1355014314E-04    0.1310997549E-04     12.84728481       -0.1020023165E-05
J1,K1,R1,R2,RAT= 111 111     2.016543856       -0.1561687445E-01    0.9843831255    
FOB,PFOB,DIAG,PSTEP=    0.5803856784E-04   -0.5714653109E-04     11.90294339        0.4798817791E-05
J1,K1,R1,R2,RAT= 112 112   -0.3474664822E-02     2.003050486        0.9965253352    
FOB,PFOB,DIAG,PSTEP=   -0.2784604788E-04   -0.2774960684E-04     9.317183032        0.2978957631E-05
J1,K1,R1,R2,RAT= 113 113     10.00325615       -0.4355208234        0.5644791766    
FOB,PFOB,DIAG,PSTEP=   -0.3930812432E-03    0.3602814110E-03     7.531174282       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -139.2258429        0.9995129169        0.4870831461E-03
FOB,PFOB,DIAG,PSTEP=    0.1327078239       -0.1308159666         4.731948196       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00001      0.00001     -0.00001     -0.00000      0.00002 
    -0.00002      0.00000      0.00000      0.00001     -0.00001      0.00001 
     0.00001     -0.00002     -0.00001      0.00000      0.00001      0.00001 
    -0.00000     -0.00001     -0.00002     -0.00001      0.00002      0.00001 
     0.00001     -0.00001     -0.00001      0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003     -0.00001     -0.00000     -0.00005      0.00007 
     0.00004      0.00001      0.00006     -0.00003     -0.00039      0.13271 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4340688894
 Log product of positive Hessian eigenvalues =          520.4988602034
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7319481961
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000037
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000092
 Unscaled step for mode   15=       -0.0000000030
 Unscaled step for mode   16=       -0.0000000012
 Unscaled step for mode   17=       -0.0000000011
 Unscaled step for mode   18=       -0.0000000051
 Unscaled step for mode   19=       -0.0000000096
 Unscaled step for mode   20=       -0.0000000147
 Unscaled step for mode   21=       -0.0000000069
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000044
 Unscaled step for mode   25=        0.0000000137
 Unscaled step for mode   26=       -0.0000000197
 Unscaled step for mode   27=       -0.0000000145
 Unscaled step for mode   28=       -0.0000000113
 Unscaled step for mode   29=        0.0000000105
 Unscaled step for mode   30=        0.0000000093
 Unscaled step for mode   31=        0.0000000021
 Unscaled step for mode   32=       -0.0000000013
 Unscaled step for mode   33=       -0.0000000087
 Unscaled step for mode   34=       -0.0000000039
 Unscaled step for mode   35=       -0.0000000266
 Unscaled step for mode   36=       -0.0000000031
 Unscaled step for mode   37=        0.0000000113
 Unscaled step for mode   38=        0.0000000072
 Unscaled step for mode   39=        0.0000000206
 Unscaled step for mode   40=       -0.0000000051
 Unscaled step for mode   41=       -0.0000000081
 Unscaled step for mode   42=        0.0000000042
 Unscaled step for mode   43=       -0.0000000041
 Unscaled step for mode   44=        0.0000000002
 Unscaled step for mode   45=        0.0000000114
 Unscaled step for mode   46=        0.0000000085
 Unscaled step for mode   47=        0.0000000340
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000173
 Unscaled step for mode   50=        0.0000000162
 Unscaled step for mode   51=        0.0000000151
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000189
 Unscaled step for mode   54=       -0.0000000050
 Unscaled step for mode   55=        0.0000000362
 Unscaled step for mode   56=        0.0000000141
 Unscaled step for mode   57=        0.0000000067
 Unscaled step for mode   58=       -0.0000000317
 Unscaled step for mode   59=       -0.0000000192
 Unscaled step for mode   60=       -0.0000000323
 Unscaled step for mode   61=       -0.0000000259
 Unscaled step for mode   62=       -0.0000000877
 Unscaled step for mode   63=        0.0000000563
 Unscaled step for mode   64=        0.0000000088
 Unscaled step for mode   65=        0.0000000123
 Unscaled step for mode   66=        0.0000000619
 Unscaled step for mode   67=        0.0000000056
 Unscaled step for mode   68=        0.0000000165
 Unscaled step for mode   69=        0.0000000079
 Unscaled step for mode   70=        0.0000000221
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=        0.0000000842
 Unscaled step for mode   73=        0.0000000212
 Unscaled step for mode   74=        0.0000001129
 Unscaled step for mode   75=       -0.0000000580
 Unscaled step for mode   76=        0.0000000908
 Unscaled step for mode   77=        0.0000000008
 Unscaled step for mode   78=       -0.0000001716
 Unscaled step for mode   79=        0.0000002174
 Unscaled step for mode   80=       -0.0000000405
 Unscaled step for mode   81=       -0.0000000579
 Unscaled step for mode   82=       -0.0000001017
 Unscaled step for mode   83=        0.0000001110
 Unscaled step for mode   84=       -0.0000000741
 Unscaled step for mode   85=       -0.0000001746
 Unscaled step for mode   86=        0.0000002258
 Unscaled step for mode   87=        0.0000000875
 Unscaled step for mode   88=       -0.0000000158
 Unscaled step for mode   89=       -0.0000002175
 Unscaled step for mode   90=       -0.0000001005
 Unscaled step for mode   91=        0.0000000245
 Unscaled step for mode   92=        0.0000002250
 Unscaled step for mode   93=        0.0000003883
 Unscaled step for mode   94=        0.0000001424
 Unscaled step for mode   95=       -0.0000004119
 Unscaled step for mode   96=       -0.0000001191
 Unscaled step for mode   97=       -0.0000002430
 Unscaled step for mode   98=        0.0000002083
 Unscaled step for mode   99=        0.0000002797
 Unscaled step for mode  100=       -0.0000005546
 Unscaled step for mode  101=        0.0000015105
 Unscaled step for mode  102=        0.0000007562
 Unscaled step for mode  103=        0.0000005959
 Unscaled step for mode  104=        0.0000008791
 Unscaled step for mode  105=        0.0000002926
 Unscaled step for mode  106=        0.0000001904
 Unscaled step for mode  107=        0.0000025320
 Unscaled step for mode  108=       -0.0000042018
 Unscaled step for mode  109=       -0.0000031000
 Unscaled step for mode  110=       -0.0000010547
 Unscaled step for mode  111=       -0.0000048760
 Unscaled step for mode  112=        0.0000029887
 Unscaled step for mode  113=        0.0000521939
 Unscaled step for mode  114=        0.0280230476
 Largest modulus ratio of non-zero e/values=           151.4140523    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.444957E-15    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.193313E-15    0.100779E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.928297E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.112627E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.491198E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.265995E-15    0.973450E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.310838E-06    0.716483E+03 -0.433839E-09 0.100000E-04    0.994559E+00
   8   -0.148291E-06    0.669632E+03  0.221452E-09 0.100000E-04    0.935206E+00
   9    0.420441E-06    0.622095E+03 -0.675846E-09 0.100000E-04    0.988756E+00
  10    0.107373E-05    0.602349E+03 -0.178256E-08 0.100000E-04    0.993966E+00
  11   -0.841920E-06    0.589507E+03  0.142818E-08 0.100000E-04    0.996554E+00
  12    0.209094E-05    0.562911E+03 -0.371452E-08 0.100000E-04    0.993754E+00
  13    0.206507E-05    0.559655E+03 -0.368989E-08 0.100000E-04    0.998268E+00
  14   -0.439444E-05    0.477377E+03  0.920538E-08 0.100000E-04    0.993980E+00
  15    0.139304E-05    0.471427E+03 -0.295493E-08 0.100000E-04    0.995717E+00
  16    0.572065E-06    0.464007E+03 -0.123288E-08 0.100000E-04    0.983092E+00
  17    0.472792E-06    0.441702E+03 -0.107039E-08 0.100000E-04    0.979134E+00
  18    0.221457E-05    0.432278E+03 -0.512301E-08 0.100000E-04    0.992061E+00
  19    0.403782E-05    0.419971E+03 -0.961453E-08 0.100000E-04    0.989727E+00
  20    0.595497E-05    0.405145E+03 -0.146984E-07 0.100000E-04    0.993225E+00
  21    0.274963E-05    0.398553E+03 -0.689904E-08 0.100000E-04    0.988515E+00
  22   -0.899189E-06    0.388108E+03  0.231685E-08 0.100000E-04    0.994264E+00
  23   -0.190171E-05    0.366933E+03  0.518272E-08 0.100000E-04    0.997182E+00
  24    0.160074E-05    0.364498E+03 -0.439162E-08 0.100000E-04    0.994254E+00
  25   -0.483577E-05    0.353225E+03  0.136903E-07 0.100000E-04    0.989414E+00
  26    0.681856E-05    0.345623E+03 -0.197283E-07 0.100000E-04    0.988078E+00
  27    0.471621E-05    0.324424E+03 -0.145372E-07 0.100000E-04    0.988214E+00
  28    0.366211E-05    0.323859E+03 -0.113077E-07 0.100000E-04    0.995060E+00
  29   -0.333767E-05    0.319018E+03  0.104623E-07 0.100000E-04    0.982468E+00
  30   -0.293659E-05    0.315681E+03  0.930238E-08 0.100000E-04    0.989980E+00
  31   -0.638210E-06    0.305418E+03  0.208963E-08 0.100000E-04    0.973737E+00
  32    0.360431E-06    0.287270E+03 -0.125467E-08 0.100000E-04    0.984375E+00
  33    0.243286E-05    0.280102E+03 -0.868561E-08 0.100000E-04    0.988602E+00
  34    0.107002E-05    0.271911E+03 -0.393520E-08 0.100000E-04    0.989433E+00
  35    0.706259E-05    0.265859E+03 -0.265651E-07 0.100000E-04    0.988204E+00
  36    0.820251E-06    0.261791E+03 -0.313323E-08 0.100000E-04    0.982177E+00
  37   -0.290214E-05    0.257667E+03  0.112631E-07 0.100000E-04    0.987504E+00
  38   -0.183103E-05    0.253366E+03  0.722680E-08 0.100000E-04    0.990396E+00
  39   -0.505091E-05    0.244831E+03  0.206302E-07 0.100000E-04    0.987384E+00
  40    0.122886E-05    0.240003E+03 -0.512019E-08 0.100000E-04    0.971576E+00
  41    0.189510E-05    0.233759E+03 -0.810704E-08 0.100000E-04    0.978171E+00
  42   -0.964394E-06    0.228355E+03  0.422323E-08 0.100000E-04    0.980173E+00
  43    0.921186E-06    0.225631E+03 -0.408270E-08 0.100000E-04    0.986074E+00
  44   -0.512372E-07    0.213094E+03  0.240444E-09 0.100000E-04    0.336001E+00
  45   -0.240096E-05    0.211188E+03  0.113688E-07 0.100000E-04    0.986549E+00
  46   -0.178328E-05    0.210033E+03  0.849050E-08 0.100000E-04    0.978843E+00
  47   -0.689579E-05    0.202819E+03  0.339997E-07 0.100000E-04    0.986518E+00
  48   -0.120026E-05    0.198834E+03  0.603652E-08 0.100000E-04    0.998025E+00
  49    0.337247E-05    0.195191E+03 -0.172778E-07 0.100000E-04    0.984710E+00
  50   -0.309962E-05    0.191714E+03  0.161679E-07 0.100000E-04    0.988135E+00
  51   -0.282035E-05    0.186558E+03  0.151178E-07 0.100000E-04    0.987682E+00
  52    0.431462E-06    0.178931E+03 -0.241133E-08 0.100000E-04    0.995019E+00
  53   -0.322590E-05    0.170685E+03  0.188997E-07 0.100000E-04    0.988560E+00
  54    0.836678E-06    0.168137E+03 -0.497618E-08 0.100000E-04    0.975065E+00
  55   -0.600999E-05    0.165816E+03  0.362448E-07 0.100000E-04    0.988153E+00
  56   -0.225991E-05    0.160728E+03  0.140605E-07 0.100000E-04    0.988642E+00
  57   -0.102496E-05    0.154046E+03  0.665364E-08 0.100000E-04    0.990689E+00
  58    0.479276E-05    0.151077E+03 -0.317239E-07 0.100000E-04    0.988862E+00
  59    0.284695E-05    0.148232E+03 -0.192061E-07 0.100000E-04    0.986114E+00
  60    0.460069E-05    0.142324E+03 -0.323255E-07 0.100000E-04    0.986416E+00
  61    0.354824E-05    0.136872E+03 -0.259237E-07 0.100000E-04    0.987405E+00
  62    0.117965E-04    0.134497E+03 -0.877083E-07 0.100000E-04    0.988741E+00
  63   -0.737993E-05    0.131038E+03  0.563189E-07 0.100000E-04    0.988303E+00
  64   -0.112285E-05    0.127720E+03  0.879147E-08 0.100000E-04    0.983425E+00
  65   -0.154754E-05    0.125547E+03  0.123264E-07 0.100000E-04    0.994121E+00
  66   -0.768088E-05    0.124178E+03  0.618538E-07 0.100000E-04    0.987509E+00
  67   -0.669727E-06    0.119433E+03  0.560755E-08 0.100000E-04    0.992270E+00
  68   -0.194961E-05    0.118017E+03  0.165198E-07 0.100000E-04    0.986315E+00
  69   -0.912903E-06    0.116187E+03  0.785718E-08 0.100000E-04    0.996108E+00
  70   -0.249968E-05    0.112969E+03  0.221271E-07 0.100000E-04    0.977878E+00
  71   -0.246192E-06    0.110520E+03  0.222758E-08 0.100000E-04    0.996542E+00
  72   -0.890543E-05    0.105766E+03  0.841996E-07 0.100000E-04    0.986341E+00
  73   -0.217677E-05    0.102848E+03  0.211650E-07 0.100000E-04    0.975970E+00
  74   -0.113739E-04    0.100722E+03  0.112924E-06 0.100000E-04    0.987317E+00
  75    0.564134E-05    0.972142E+02 -0.580300E-07 0.100000E-04    0.982987E+00
  76   -0.862690E-05    0.950002E+02  0.908093E-07 0.100000E-04    0.986156E+00
  77   -0.707096E-07    0.916424E+02  0.771582E-09 0.100000E-04    0.965604E+00
  78    0.155041E-04    0.903421E+02 -0.171615E-06 0.100000E-04    0.985694E+00
  79   -0.190420E-04    0.876077E+02  0.217355E-06 0.100000E-04    0.988619E+00
  80    0.341637E-05    0.844272E+02 -0.404653E-07 0.100000E-04    0.983168E+00
  81    0.468251E-05    0.809217E+02 -0.578647E-07 0.100000E-04    0.985191E+00
  82    0.803371E-05    0.789793E+02 -0.101719E-06 0.100000E-04    0.980646E+00
  83   -0.873968E-05    0.787331E+02  0.111004E-06 0.100000E-04    0.998558E+00
  84    0.542312E-05    0.731662E+02 -0.741205E-07 0.100000E-04    0.984711E+00
  85    0.124244E-04    0.711785E+02 -0.174553E-06 0.100000E-04    0.988019E+00
  86   -0.157668E-04    0.698219E+02  0.225814E-06 0.100000E-04    0.987057E+00
  87   -0.590466E-05    0.674867E+02  0.874937E-07 0.100000E-04    0.994420E+00
  88    0.100977E-05    0.637457E+02 -0.158405E-07 0.100000E-04    0.997188E+00
  89    0.135814E-04    0.624334E+02 -0.217535E-06 0.100000E-04    0.987176E+00
  90    0.599311E-05    0.596585E+02 -0.100457E-06 0.100000E-04    0.985444E+00
  91   -0.142851E-05    0.584197E+02  0.244526E-07 0.100000E-04    0.999627E+00
  92   -0.125667E-04    0.558458E+02  0.225025E-06 0.100000E-04    0.983493E+00
  93   -0.208514E-04    0.536956E+02  0.388326E-06 0.100000E-04    0.988451E+00
  94   -0.746023E-05    0.523928E+02  0.142390E-06 0.100000E-04    0.983813E+00
  95    0.207100E-04    0.502751E+02 -0.411933E-06 0.100000E-04    0.989460E+00
  96    0.572241E-05    0.480520E+02 -0.119088E-06 0.100000E-04    0.990024E+00
  97    0.106614E-04    0.438743E+02 -0.242999E-06 0.100000E-04    0.986428E+00
  98   -0.825981E-05    0.396590E+02  0.208271E-06 0.100000E-04    0.988476E+00
  99   -0.105981E-04    0.378855E+02  0.279740E-06 0.100000E-04    0.980458E+00
 100    0.200034E-04    0.360686E+02 -0.554595E-06 0.100000E-04    0.988970E+00
 101   -0.520524E-04    0.344597E+02  0.151053E-05 0.100000E-04    0.986482E+00
 102   -0.227089E-04    0.300289E+02  0.756234E-06 0.100000E-04    0.989085E+00
 103   -0.173097E-04    0.290456E+02  0.595949E-06 0.100000E-04    0.986998E+00
 104   -0.252207E-04    0.286901E+02  0.879072E-06 0.100000E-04    0.988905E+00
 105   -0.693997E-05    0.237167E+02  0.292619E-06 0.100000E-04    0.974853E+00
 106   -0.416157E-05    0.218592E+02  0.190381E-06 0.100000E-04    0.996544E+00
 107   -0.497971E-04    0.196672E+02  0.253199E-05 0.100000E-04    0.985309E+00
 108    0.690480E-04    0.164329E+02 -0.420183E-05 0.100000E-04    0.991791E+00
 109    0.433166E-04    0.139731E+02 -0.309999E-05 0.100000E-04    0.989639E+00
 110    0.135501E-04    0.128473E+02 -0.105471E-05 0.100000E-04    0.966411E+00
 111    0.580386E-04    0.119029E+02 -0.487598E-05 0.100000E-04    0.984383E+00
 112   -0.278460E-04    0.931718E+01  0.298868E-05 0.100000E-04    0.996525E+00
 113   -0.393081E-03    0.753117E+01  0.100000E-04 0.100000E-04    0.564479E+00
 114    0.132708E+00    0.473195E+01  0.400000E-03 0.400000E-03    0.487083E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2802304762E-01

 Beginning of optimization cycle   50.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4011580710
 potential> RMS force:                                               0.0126065763   |gradient|=.1346014019    
 Eigenvalues of the Hessian matrix:
   716.54225    669.65290    622.12333    602.37252    589.51274    562.93511 
   559.69195    477.39073    471.40553    463.99403    441.69779    432.26685 
   419.97833    405.15511    398.54924    388.11430    366.93292    364.48749 
   353.21393    345.58265    324.39205    323.86363    319.01390    315.70235 
   305.41774    287.27067    280.09980    271.90283    265.85686    261.79644 
   257.66602    253.36618    244.81478    239.99261    233.76767    228.35756 
   225.61317    213.08552    211.18393    210.03381    202.82014    198.82836 
   195.19401    191.71183    186.55641    178.91624    170.68409    168.13750 
   165.81498    160.72585    154.03843    151.07679    148.23876    142.32904 
   136.87330    134.50055    131.03809    127.71982    125.55030    124.18634 
   119.43249    118.01538    116.19114    112.96301    110.51429    105.76180 
   102.84677    100.71747     97.21517     95.00097     91.63556     90.34662 
    87.61817     84.42766     80.92049     78.98019     78.73389     73.16352 
    71.18159     69.81363     67.49061     63.74005     62.43115     59.65867 
    58.42267     55.84496     53.69531     52.39084     50.27591     48.05131 
    43.86997     39.66222     37.87773     36.07150     34.46459     30.01906 
    29.04441     28.69063     23.71101     21.85981     19.66395     16.43766 
    13.97054     12.84195     11.89736      9.31916      7.53272      4.73440 
overlap for current and previous eigenvector    109 is        -0.9999927773
overlap for current and previous eigenvector    110 is         0.9999903323
overlap for current and previous eigenvector    111 is         0.9999891830
overlap for current and previous eigenvector    112 is         0.9999996462
overlap for current and previous eigenvector    113 is         0.9999992928
overlap for current and previous eigenvector    114 is         0.9999990942
J1,K1,R1,R2,RAT=   7   7    0.5587772341E-02     1.994248111        0.9942481109    
FOB,PFOB,DIAG,PSTEP=    0.3091012678E-06    0.3108383040E-06     716.5422501       -0.4338387764E-09
J1,K1,R1,R2,RAT=   8   8   -0.6142679289E-01     2.061365710        0.9385732071    
FOB,PFOB,DIAG,PSTEP=   -0.1574006895E-06   -0.1482913493E-06     669.6528983        0.2214518578E-09
J1,K1,R1,R2,RAT=   9   9   -0.1108158011E-01     2.010991882        0.9889184199    
FOB,PFOB,DIAG,PSTEP=    0.4251003506E-06    0.4204409912E-06     622.1233254       -0.6758464621E-09
J1,K1,R1,R2,RAT=  10  10   -0.5957787146E-02     2.005879896        0.9940422129    
FOB,PFOB,DIAG,PSTEP=    0.1080122455E-05    0.1073725179E-05     602.3725175       -0.1782563060E-08
J1,K1,R1,R2,RAT=  11  11   -0.3393823970E-02     2.003374157        0.9966061760    
FOB,PFOB,DIAG,PSTEP=   -0.8447777960E-06   -0.8419204382E-06     589.5127448        0.1428177295E-08
J1,K1,R1,R2,RAT= 109 109     2.010539601       -0.1016649328E-01    0.9898335067    
FOB,PFOB,DIAG,PSTEP=   -0.4375690292E-04    0.4331660706E-04     13.97054066       -0.3099989381E-05
J1,K1,R1,R2,RAT= 110 110   -0.3327542546E-01     2.034106113        0.9667245745    
FOB,PFOB,DIAG,PSTEP=    0.1400084272E-04    0.1355014314E-04     12.84195099       -0.1054708706E-05
J1,K1,R1,R2,RAT= 111 111   -0.1536316578E-01     2.016301476        0.9846368342    
FOB,PFOB,DIAG,PSTEP=    0.5892980585E-04    0.5803856784E-04     11.89736168       -0.4875984533E-05
J1,K1,R1,R2,RAT= 112 112   -0.3173318118E-02     2.002749416        0.9968266819    
FOB,PFOB,DIAG,PSTEP=   -0.2793443098E-04   -0.2784604788E-04     9.319158238        0.2988676704E-05
J1,K1,R1,R2,RAT= 113 113   -0.4512922817         10.88793280        0.5487077183    
FOB,PFOB,DIAG,PSTEP=   -0.4270758090E-03   -0.3930812432E-03     7.532715965        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9995026768        -141.1523630        0.4973231544E-03
FOB,PFOB,DIAG,PSTEP=    0.1346006404        0.1327078239         4.734395845        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00001     -0.00001     -0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00001 
     0.00000      0.00001     -0.00001      0.00001      0.00000      0.00002 
    -0.00002      0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00001      0.00002      0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00001     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001     -0.00001     -0.00002      0.00005      0.00002 
     0.00002      0.00003      0.00001      0.00000     -0.00005     -0.00007 
    -0.00004      0.00001      0.00006     -0.00003     -0.00043      0.13460 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4341480996
 Log product of positive Hessian eigenvalues =          520.4979382569
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7343958454
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000037
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000093
 Unscaled step for mode   15=       -0.0000000030
 Unscaled step for mode   16=       -0.0000000013
 Unscaled step for mode   17=       -0.0000000011
 Unscaled step for mode   18=       -0.0000000052
 Unscaled step for mode   19=       -0.0000000097
 Unscaled step for mode   20=       -0.0000000148
 Unscaled step for mode   21=       -0.0000000070
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000044
 Unscaled step for mode   25=        0.0000000138
 Unscaled step for mode   26=       -0.0000000200
 Unscaled step for mode   27=       -0.0000000147
 Unscaled step for mode   28=       -0.0000000114
 Unscaled step for mode   29=        0.0000000106
 Unscaled step for mode   30=        0.0000000094
 Unscaled step for mode   31=        0.0000000021
 Unscaled step for mode   32=       -0.0000000012
 Unscaled step for mode   33=       -0.0000000088
 Unscaled step for mode   34=       -0.0000000040
 Unscaled step for mode   35=       -0.0000000269
 Unscaled step for mode   36=       -0.0000000032
 Unscaled step for mode   37=        0.0000000114
 Unscaled step for mode   38=        0.0000000073
 Unscaled step for mode   39=        0.0000000209
 Unscaled step for mode   40=       -0.0000000053
 Unscaled step for mode   41=       -0.0000000083
 Unscaled step for mode   42=        0.0000000043
 Unscaled step for mode   43=       -0.0000000041
 Unscaled step for mode   44=        0.0000000003
 Unscaled step for mode   45=       -0.0000000115
 Unscaled step for mode   46=        0.0000000087
 Unscaled step for mode   47=        0.0000000345
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000175
 Unscaled step for mode   50=        0.0000000164
 Unscaled step for mode   51=        0.0000000153
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000191
 Unscaled step for mode   54=       -0.0000000051
 Unscaled step for mode   55=        0.0000000367
 Unscaled step for mode   56=        0.0000000142
 Unscaled step for mode   57=       -0.0000000067
 Unscaled step for mode   58=       -0.0000000321
 Unscaled step for mode   59=       -0.0000000195
 Unscaled step for mode   60=        0.0000000328
 Unscaled step for mode   61=       -0.0000000262
 Unscaled step for mode   62=       -0.0000000887
 Unscaled step for mode   63=        0.0000000570
 Unscaled step for mode   64=        0.0000000089
 Unscaled step for mode   65=        0.0000000124
 Unscaled step for mode   66=        0.0000000626
 Unscaled step for mode   67=       -0.0000000057
 Unscaled step for mode   68=        0.0000000167
 Unscaled step for mode   69=       -0.0000000078
 Unscaled step for mode   70=       -0.0000000226
 Unscaled step for mode   71=       -0.0000000022
 Unscaled step for mode   72=       -0.0000000853
 Unscaled step for mode   73=       -0.0000000217
 Unscaled step for mode   74=       -0.0000001143
 Unscaled step for mode   75=        0.0000000590
 Unscaled step for mode   76=       -0.0000000921
 Unscaled step for mode   77=       -0.0000000008
 Unscaled step for mode   78=       -0.0000001740
 Unscaled step for mode   79=        0.0000002198
 Unscaled step for mode   80=       -0.0000000411
 Unscaled step for mode   81=       -0.0000000587
 Unscaled step for mode   82=        0.0000001037
 Unscaled step for mode   83=        0.0000001111
 Unscaled step for mode   84=       -0.0000000752
 Unscaled step for mode   85=        0.0000001766
 Unscaled step for mode   86=       -0.0000002287
 Unscaled step for mode   87=       -0.0000000880
 Unscaled step for mode   88=        0.0000000159
 Unscaled step for mode   89=        0.0000002203
 Unscaled step for mode   90=        0.0000001019
 Unscaled step for mode   91=        0.0000000245
 Unscaled step for mode   92=        0.0000002287
 Unscaled step for mode   93=        0.0000003927
 Unscaled step for mode   94=       -0.0000001447
 Unscaled step for mode   95=        0.0000004162
 Unscaled step for mode   96=        0.0000001203
 Unscaled step for mode   97=       -0.0000002463
 Unscaled step for mode   98=        0.0000002106
 Unscaled step for mode   99=        0.0000002852
 Unscaled step for mode  100=        0.0000005606
 Unscaled step for mode  101=       -0.0000015304
 Unscaled step for mode  102=       -0.0000007646
 Unscaled step for mode  103=       -0.0000006036
 Unscaled step for mode  104=       -0.0000008886
 Unscaled step for mode  105=       -0.0000002999
 Unscaled step for mode  106=       -0.0000001910
 Unscaled step for mode  107=        0.0000025691
 Unscaled step for mode  108=        0.0000042341
 Unscaled step for mode  109=        0.0000031321
 Unscaled step for mode  110=       -0.0000010902
 Unscaled step for mode  111=       -0.0000049532
 Unscaled step for mode  112=        0.0000029975
 Unscaled step for mode  113=        0.0000566961
 Unscaled step for mode  114=        0.0284074303
 Largest modulus ratio of non-zero e/values=           151.3481917    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.837004E-16    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.719151E-15    0.100779E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.526922E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.234920E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.501120E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.879776E-15    0.973451E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.309101E-06    0.716542E+03 -0.431379E-09 0.100000E-04    0.994248E+00
   8   -0.157401E-06    0.669653E+03  0.235048E-09 0.100000E-04    0.938573E+00
   9    0.425100E-06    0.622123E+03 -0.683306E-09 0.100000E-04    0.988918E+00
  10    0.108012E-05    0.602373E+03 -0.179311E-08 0.100000E-04    0.994042E+00
  11   -0.844778E-06    0.589513E+03  0.143301E-08 0.100000E-04    0.996606E+00
  12    0.210388E-05    0.562935E+03 -0.373733E-08 0.100000E-04    0.993814E+00
  13    0.206843E-05    0.559692E+03 -0.369565E-08 0.100000E-04    0.998372E+00
  14   -0.442051E-05    0.477391E+03  0.925973E-08 0.100000E-04    0.994068E+00
  15    0.139892E-05    0.471406E+03 -0.296755E-08 0.100000E-04    0.995776E+00
  16    0.581674E-06    0.463994E+03 -0.125362E-08 0.100000E-04    0.983203E+00
  17    0.482540E-06    0.441698E+03 -0.109247E-08 0.100000E-04    0.979380E+00
  18    0.223198E-05    0.432267E+03 -0.516342E-08 0.100000E-04    0.992138E+00
  19    0.407896E-05    0.419978E+03 -0.971231E-08 0.100000E-04    0.989812E+00
  20    0.599479E-05    0.405155E+03 -0.147963E-07 0.100000E-04    0.993313E+00
  21    0.278087E-05    0.398549E+03 -0.697749E-08 0.100000E-04    0.988638E+00
  22   -0.893794E-06    0.388114E+03  0.230291E-08 0.100000E-04    0.993969E+00
  23   -0.190688E-05    0.366933E+03  0.519681E-08 0.100000E-04    0.997283E+00
  24    0.160976E-05    0.364487E+03 -0.441649E-08 0.100000E-04    0.994366E+00
  25   -0.488651E-05    0.353214E+03  0.138344E-07 0.100000E-04    0.989507E+00
  26    0.689920E-05    0.345583E+03 -0.199640E-07 0.100000E-04    0.988172E+00
  27    0.477287E-05    0.324392E+03 -0.147133E-07 0.100000E-04    0.987985E+00
  28    0.367729E-05    0.323864E+03 -0.113545E-07 0.100000E-04    0.995853E+00
  29   -0.339574E-05    0.319014E+03  0.106445E-07 0.100000E-04    0.982601E+00
  30   -0.296596E-05    0.315702E+03  0.939481E-08 0.100000E-04    0.989997E+00
  31   -0.654741E-06    0.305418E+03  0.214376E-08 0.100000E-04    0.974098E+00
  32    0.354531E-06    0.287271E+03 -0.123413E-08 0.100000E-04    0.983627E+00
  33    0.246033E-05    0.280100E+03 -0.878377E-08 0.100000E-04    0.988708E+00
  34    0.108128E-05    0.271903E+03 -0.397673E-08 0.100000E-04    0.989474E+00
  35    0.714508E-05    0.265857E+03 -0.268757E-07 0.100000E-04    0.988321E+00
  36    0.834835E-06    0.261796E+03 -0.318887E-08 0.100000E-04    0.982221E+00
  37   -0.293810E-05    0.257666E+03  0.114028E-07 0.100000E-04    0.987608E+00
  38   -0.184842E-05    0.253366E+03  0.729544E-08 0.100000E-04    0.990502E+00
  39   -0.511399E-05    0.244815E+03  0.208892E-07 0.100000E-04    0.987511E+00
  40    0.126334E-05    0.239993E+03 -0.526407E-08 0.100000E-04    0.971942E+00
  41    0.193606E-05    0.233768E+03 -0.828197E-08 0.100000E-04    0.978387E+00
  42   -0.983310E-06    0.228358E+03  0.430601E-08 0.100000E-04    0.980385E+00
  43    0.933949E-06    0.225613E+03 -0.413960E-08 0.100000E-04    0.986144E+00
  44   -0.722362E-07    0.213086E+03  0.339001E-09 0.100000E-04    0.590146E+00
  45    0.243252E-05    0.211184E+03 -0.115185E-07 0.100000E-04    0.986858E+00
  46   -0.182110E-05    0.210034E+03  0.867053E-08 0.100000E-04    0.978790E+00
  47   -0.698784E-05    0.202820E+03  0.344534E-07 0.100000E-04    0.986651E+00
  48   -0.120236E-05    0.198828E+03  0.604721E-08 0.100000E-04    0.998254E+00
  49    0.342357E-05    0.195194E+03 -0.175393E-07 0.100000E-04    0.984849E+00
  50   -0.313599E-05    0.191712E+03  0.163578E-07 0.100000E-04    0.988265E+00
  51   -0.285472E-05    0.186556E+03  0.153022E-07 0.100000E-04    0.987811E+00
  52    0.433531E-06    0.178916E+03 -0.242309E-08 0.100000E-04    0.995205E+00
  53   -0.326234E-05    0.170684E+03  0.191133E-07 0.100000E-04    0.988703E+00
  54    0.857314E-06    0.168138E+03 -0.509889E-08 0.100000E-04    0.975336E+00
  55   -0.608036E-05    0.165815E+03  0.366696E-07 0.100000E-04    0.988290E+00
  56   -0.228527E-05    0.160726E+03  0.142184E-07 0.100000E-04    0.988776E+00
  57    0.103441E-05    0.154038E+03 -0.671528E-08 0.100000E-04    0.990782E+00
  58    0.484555E-05    0.151077E+03 -0.320734E-07 0.100000E-04    0.988985E+00
  59    0.288600E-05    0.148239E+03 -0.194686E-07 0.100000E-04    0.986284E+00
  60   -0.466246E-05    0.142329E+03  0.327583E-07 0.100000E-04    0.986574E+00
  61    0.359249E-05    0.136873E+03 -0.262468E-07 0.100000E-04    0.987530E+00
  62    0.119276E-04    0.134501E+03 -0.886808E-07 0.100000E-04    0.988885E+00
  63   -0.746522E-05    0.131038E+03  0.569699E-07 0.100000E-04    0.988443E+00
  64   -0.114135E-05    0.127720E+03  0.893637E-08 0.100000E-04    0.983522E+00
  65   -0.155622E-05    0.125550E+03  0.123952E-07 0.100000E-04    0.994387E+00
  66   -0.777574E-05    0.124186E+03  0.626135E-07 0.100000E-04    0.987651E+00
  67    0.674843E-06    0.119432E+03 -0.565041E-08 0.100000E-04    0.992361E+00
  68   -0.197601E-05    0.118015E+03  0.167437E-07 0.100000E-04    0.986458E+00
  69    0.909085E-06    0.116191E+03 -0.782405E-08 0.100000E-04    0.995747E+00
  70    0.255424E-05    0.112963E+03 -0.226113E-07 0.100000E-04    0.978171E+00
  71    0.245194E-06    0.110514E+03 -0.221866E-08 0.100000E-04    0.995945E+00
  72    0.902578E-05    0.105762E+03 -0.853406E-07 0.100000E-04    0.986486E+00
  73    0.222847E-05    0.102847E+03 -0.216679E-07 0.100000E-04    0.976250E+00
  74    0.115163E-04    0.100717E+03 -0.114342E-06 0.100000E-04    0.987482E+00
  75   -0.573644E-05    0.972152E+02  0.590076E-07 0.100000E-04    0.983144E+00
  76    0.874494E-05    0.950010E+02 -0.920511E-07 0.100000E-04    0.986317E+00
  77    0.730978E-07    0.916356E+02 -0.797701E-09 0.100000E-04    0.966222E+00
  78    0.157234E-04    0.903466E+02 -0.174034E-06 0.100000E-04    0.985855E+00
  79   -0.192552E-04    0.876182E+02  0.219763E-06 0.100000E-04    0.988802E+00
  80    0.347327E-05    0.844277E+02 -0.411390E-07 0.100000E-04    0.983345E+00
  81    0.475096E-05    0.809205E+02 -0.587115E-07 0.100000E-04    0.985381E+00
  82   -0.818669E-05    0.789802E+02  0.103655E-06 0.100000E-04    0.980958E+00
  83   -0.874915E-05    0.787339E+02  0.111123E-06 0.100000E-04    0.998916E+00
  84    0.550517E-05    0.731635E+02 -0.752447E-07 0.100000E-04    0.984870E+00
  85   -0.125714E-04    0.711816E+02  0.176610E-06 0.100000E-04    0.988170E+00
  86    0.159679E-04    0.698136E+02 -0.228721E-06 0.100000E-04    0.987244E+00
  87    0.593615E-05    0.674906E+02 -0.879552E-07 0.100000E-04    0.994667E+00
  88   -0.101185E-05    0.637400E+02  0.158747E-07 0.100000E-04    0.997932E+00
  89   -0.137534E-04    0.624311E+02  0.220297E-06 0.100000E-04    0.987339E+00
  90   -0.607923E-05    0.596587E+02  0.101900E-06 0.100000E-04    0.985629E+00
  91   -0.142863E-05    0.584227E+02  0.244533E-07 0.100000E-04    0.999919E+00
  92   -0.127717E-04    0.558450E+02  0.228700E-06 0.100000E-04    0.983683E+00
  93   -0.210882E-04    0.536953E+02  0.392738E-06 0.100000E-04    0.988645E+00
  94    0.757962E-05    0.523908E+02 -0.144675E-06 0.100000E-04    0.983997E+00
  95   -0.209244E-04    0.502759E+02  0.416191E-06 0.100000E-04    0.989647E+00
  96   -0.577852E-05    0.480513E+02  0.120257E-06 0.100000E-04    0.990195E+00
  97    0.108041E-04    0.438700E+02 -0.246276E-06 0.100000E-04    0.986613E+00
  98   -0.835365E-05    0.396622E+02  0.210620E-06 0.100000E-04    0.988639E+00
  99   -0.108032E-04    0.378777E+02  0.285211E-06 0.100000E-04    0.980646E+00
 100   -0.202205E-04    0.360715E+02  0.560568E-06 0.100000E-04    0.989148E+00
 101    0.527452E-04    0.344646E+02 -0.153042E-05 0.100000E-04    0.986692E+00
 102    0.229530E-04    0.300191E+02 -0.764614E-06 0.100000E-04    0.989245E+00
 103    0.175315E-04    0.290444E+02 -0.603609E-06 0.100000E-04    0.987188E+00
 104    0.254955E-04    0.286906E+02 -0.888636E-06 0.100000E-04    0.989102E+00
 105    0.711158E-05    0.237110E+02 -0.299927E-06 0.100000E-04    0.975267E+00
 106    0.417478E-05    0.218598E+02 -0.190980E-06 0.100000E-04    0.996827E+00
 107   -0.505178E-04    0.196639E+02  0.256906E-05 0.100000E-04    0.985526E+00
 108   -0.695994E-04    0.164377E+02  0.423414E-05 0.100000E-04    0.992017E+00
 109   -0.437569E-04    0.139705E+02  0.313208E-05 0.100000E-04    0.989834E+00
 110    0.140008E-04    0.128420E+02 -0.109024E-05 0.100000E-04    0.966725E+00
 111    0.589298E-04    0.118974E+02 -0.495318E-05 0.100000E-04    0.984637E+00
 112   -0.279344E-04    0.931916E+01  0.299753E-05 0.100000E-04    0.996827E+00
 113   -0.427076E-03    0.753272E+01  0.100000E-04 0.100000E-04    0.548708E+00
 114    0.134601E+00    0.473440E+01  0.400000E-03 0.400000E-03    0.497323E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2840743033E-01

 Beginning of optimization cycle   51.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4011038564
 potential> RMS force:                                               0.0127839531   |gradient|=.1364952675    
 Eigenvalues of the Hessian matrix:
   716.60107    669.67330    622.15111    602.39582    589.51843    562.95902 
   559.72928    477.40416    471.38381    463.98119    441.69348    432.25533 
   419.98570    405.16549    398.54590    388.12030    366.93250    364.47679 
   353.20264    345.54204    324.36019    323.86826    319.00979    315.72328 
   305.41711    287.27121    280.09721    271.89492    265.85427    261.80170 
   257.66481    253.36598    244.79863    239.98263    233.77602    228.36033 
   225.59503    213.07682    211.17951    210.03491    202.82147    198.82307 
   195.19704    191.70968    186.55517    178.90146    170.68318    168.13823 
   165.81361    160.72405    154.03121    151.07628    148.24564    142.33417 
   136.87413    134.50422    131.03780    127.71926    125.55362    124.19473 
   119.43189    118.01369    116.19528    112.95716    110.50894    105.75783 
   102.84581    100.71342     97.21609     95.00176     91.62877     90.35119 
    87.62865     84.42813     80.91930     78.98118     78.73466     73.16082 
    71.18471     69.80540     67.49452     63.73448     62.42881     59.65887 
    58.42568     55.84416     53.69497     52.38884     50.27671     48.05060 
    43.86565     39.66548     37.86999     36.07442     34.46957     30.00924 
    29.04321     28.69115     23.70532     21.86047     19.66076     16.44244 
    13.96795     12.83662     11.89171      9.32113      7.53424      4.73681 
overlap for current and previous eigenvector    109 is         0.9999928448
overlap for current and previous eigenvector    110 is         0.9999902669
overlap for current and previous eigenvector    111 is         0.9999890464
overlap for current and previous eigenvector    112 is         0.9999996460
overlap for current and previous eigenvector    113 is         0.9999992937
overlap for current and previous eigenvector    114 is         0.9999990984
J1,K1,R1,R2,RAT=   7   7    0.5905222025E-02     1.993930628        0.9939306283    
FOB,PFOB,DIAG,PSTEP=    0.3072758064E-06    0.3091012678E-06     716.6010651       -0.4313789839E-09
J1,K1,R1,R2,RAT=   8   8   -0.5841040384E-01     2.058349468        0.9415895962    
FOB,PFOB,DIAG,PSTEP=   -0.1665948075E-06   -0.1574006895E-06     669.6733019        0.2350481718E-09
J1,K1,R1,R2,RAT=   9   9   -0.1092104073E-01     2.010831717        0.9890789593    
FOB,PFOB,DIAG,PSTEP=    0.4297430962E-06    0.4251003506E-06     622.1511117       -0.6833055977E-09
J1,K1,R1,R2,RAT=  10  10   -0.5882601940E-02     2.005805220        0.9941173981    
FOB,PFOB,DIAG,PSTEP=    0.1086476631E-05    0.1080122455E-05     602.3958247       -0.1793113768E-08
J1,K1,R1,R2,RAT=  11  11   -0.3342408109E-02     2.003323105        0.9966575919    
FOB,PFOB,DIAG,PSTEP=   -0.8476014154E-06   -0.8447777960E-06     589.5184345        0.1433010233E-08
J1,K1,R1,R2,RAT= 109 109   -0.9977664018E-02     2.010348007        0.9900223360    
FOB,PFOB,DIAG,PSTEP=   -0.4419341376E-04   -0.4375690292E-04     13.96795419        0.3132083718E-05
J1,K1,R1,R2,RAT= 110 110   -0.3296104490E-01     2.033790896        0.9670389551    
FOB,PFOB,DIAG,PSTEP=    0.1446213373E-04    0.1400084272E-04     12.83662474       -0.1090242654E-05
J1,K1,R1,R2,RAT= 111 111   -0.1511456078E-01     2.016064322        0.9848854392    
FOB,PFOB,DIAG,PSTEP=    0.5982008121E-04    0.5892980585E-04     11.89171453       -0.4953182685E-05
J1,K1,R1,R2,RAT= 112 112   -0.2876420414E-02     2.002452802        0.9971235796    
FOB,PFOB,DIAG,PSTEP=   -0.2801479917E-04   -0.2793443098E-04     9.321132538        0.2997527273E-05
J1,K1,R1,R2,RAT= 113 113   -0.4669311752         11.80385965        0.5330688248    
FOB,PFOB,DIAG,PSTEP=   -0.4622555333E-03   -0.4270758090E-03     7.534241921        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9994920244        -143.0790528        0.5079755732E-03
FOB,PFOB,DIAG,PSTEP=    0.1364944000        0.1346006404         4.736805198        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000      0.00001     -0.00001     -0.00001     -0.00000      0.00002 
    -0.00002     -0.00000      0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00001     -0.00000      0.00001     -0.00001 
    -0.00000      0.00001      0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001     -0.00001      0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003     -0.00001     -0.00000      0.00005     -0.00007 
    -0.00004      0.00001      0.00006     -0.00003     -0.00046      0.13649 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4342266358
 Log product of positive Hessian eigenvalues =          520.4970038976
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7368051979
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000002
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000038
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000093
 Unscaled step for mode   15=       -0.0000000030
 Unscaled step for mode   16=       -0.0000000013
 Unscaled step for mode   17=       -0.0000000011
 Unscaled step for mode   18=       -0.0000000052
 Unscaled step for mode   19=       -0.0000000098
 Unscaled step for mode   20=       -0.0000000149
 Unscaled step for mode   21=       -0.0000000071
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000044
 Unscaled step for mode   25=        0.0000000140
 Unscaled step for mode   26=       -0.0000000202
 Unscaled step for mode   27=       -0.0000000149
 Unscaled step for mode   28=       -0.0000000114
 Unscaled step for mode   29=        0.0000000108
 Unscaled step for mode   30=        0.0000000095
 Unscaled step for mode   31=        0.0000000022
 Unscaled step for mode   32=       -0.0000000012
 Unscaled step for mode   33=       -0.0000000089
 Unscaled step for mode   34=       -0.0000000040
 Unscaled step for mode   35=       -0.0000000272
 Unscaled step for mode   36=       -0.0000000032
 Unscaled step for mode   37=        0.0000000115
 Unscaled step for mode   38=        0.0000000074
 Unscaled step for mode   39=        0.0000000211
 Unscaled step for mode   40=       -0.0000000054
 Unscaled step for mode   41=       -0.0000000085
 Unscaled step for mode   42=        0.0000000044
 Unscaled step for mode   43=       -0.0000000042
 Unscaled step for mode   44=        0.0000000004
 Unscaled step for mode   45=       -0.0000000117
 Unscaled step for mode   46=        0.0000000089
 Unscaled step for mode   47=        0.0000000349
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000178
 Unscaled step for mode   50=        0.0000000165
 Unscaled step for mode   51=        0.0000000155
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000193
 Unscaled step for mode   54=       -0.0000000052
 Unscaled step for mode   55=        0.0000000371
 Unscaled step for mode   56=        0.0000000144
 Unscaled step for mode   57=       -0.0000000068
 Unscaled step for mode   58=       -0.0000000324
 Unscaled step for mode   59=       -0.0000000197
 Unscaled step for mode   60=       -0.0000000332
 Unscaled step for mode   61=       -0.0000000266
 Unscaled step for mode   62=        0.0000000897
 Unscaled step for mode   63=       -0.0000000576
 Unscaled step for mode   64=       -0.0000000091
 Unscaled step for mode   65=        0.0000000125
 Unscaled step for mode   66=        0.0000000634
 Unscaled step for mode   67=        0.0000000057
 Unscaled step for mode   68=        0.0000000170
 Unscaled step for mode   69=       -0.0000000078
 Unscaled step for mode   70=       -0.0000000231
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=       -0.0000000865
 Unscaled step for mode   73=        0.0000000222
 Unscaled step for mode   74=       -0.0000001158
 Unscaled step for mode   75=        0.0000000600
 Unscaled step for mode   76=        0.0000000933
 Unscaled step for mode   77=        0.0000000008
 Unscaled step for mode   78=       -0.0000001765
 Unscaled step for mode   79=        0.0000002222
 Unscaled step for mode   80=        0.0000000418
 Unscaled step for mode   81=       -0.0000000596
 Unscaled step for mode   82=       -0.0000001056
 Unscaled step for mode   83=       -0.0000001112
 Unscaled step for mode   84=        0.0000000764
 Unscaled step for mode   85=       -0.0000001787
 Unscaled step for mode   86=       -0.0000002316
 Unscaled step for mode   87=       -0.0000000884
 Unscaled step for mode   88=        0.0000000159
 Unscaled step for mode   89=       -0.0000002231
 Unscaled step for mode   90=        0.0000001033
 Unscaled step for mode   91=        0.0000000244
 Unscaled step for mode   92=       -0.0000002324
 Unscaled step for mode   93=       -0.0000003971
 Unscaled step for mode   94=       -0.0000001470
 Unscaled step for mode   95=        0.0000004204
 Unscaled step for mode   96=        0.0000001214
 Unscaled step for mode   97=       -0.0000002496
 Unscaled step for mode   98=        0.0000002130
 Unscaled step for mode   99=        0.0000002907
 Unscaled step for mode  100=       -0.0000005665
 Unscaled step for mode  101=        0.0000015502
 Unscaled step for mode  102=        0.0000007730
 Unscaled step for mode  103=        0.0000006113
 Unscaled step for mode  104=        0.0000008981
 Unscaled step for mode  105=        0.0000003073
 Unscaled step for mode  106=        0.0000001915
 Unscaled step for mode  107=       -0.0000026061
 Unscaled step for mode  108=        0.0000042658
 Unscaled step for mode  109=        0.0000031639
 Unscaled step for mode  110=       -0.0000011266
 Unscaled step for mode  111=       -0.0000050304
 Unscaled step for mode  112=        0.0000030055
 Unscaled step for mode  113=        0.0000613540
 Unscaled step for mode  114=        0.0287918216
 Largest modulus ratio of non-zero e/values=           151.2836258    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.724247E-16    0.101876E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.371990E-15    0.100778E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.325083E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.586608E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.699094E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.327036E-15    0.973452E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.307276E-06    0.716601E+03 -0.428796E-09 0.100000E-04    0.993931E+00
   8   -0.166595E-06    0.669673E+03  0.248770E-09 0.100000E-04    0.941590E+00
   9    0.429743E-06    0.622151E+03 -0.690737E-09 0.100000E-04    0.989079E+00
  10    0.108648E-05    0.602396E+03 -0.180359E-08 0.100000E-04    0.994117E+00
  11   -0.847601E-06    0.589518E+03  0.143779E-08 0.100000E-04    0.996658E+00
  12    0.211677E-05    0.562959E+03 -0.376007E-08 0.100000E-04    0.993874E+00
  13    0.207158E-05    0.559729E+03 -0.370103E-08 0.100000E-04    0.998478E+00
  14   -0.444635E-05    0.477404E+03  0.931360E-08 0.100000E-04    0.994154E+00
  15    0.140475E-05    0.471384E+03 -0.298005E-08 0.100000E-04    0.995833E+00
  16    0.591380E-06    0.463981E+03 -0.127458E-08 0.100000E-04    0.983312E+00
  17    0.492374E-06    0.441693E+03 -0.111474E-08 0.100000E-04    0.979620E+00
  18    0.224936E-05    0.432255E+03 -0.520377E-08 0.100000E-04    0.992213E+00
  19    0.412017E-05    0.419986E+03 -0.981027E-08 0.100000E-04    0.989896E+00
  20    0.603436E-05    0.405165E+03 -0.148936E-07 0.100000E-04    0.993400E+00
  21    0.281213E-05    0.398546E+03 -0.705598E-08 0.100000E-04    0.988759E+00
  22   -0.888163E-06    0.388120E+03  0.228837E-08 0.100000E-04    0.993669E+00
  23   -0.191187E-05    0.366932E+03  0.521042E-08 0.100000E-04    0.997383E+00
  24    0.161865E-05    0.364477E+03 -0.444102E-08 0.100000E-04    0.994477E+00
  25   -0.493734E-05    0.353203E+03  0.139788E-07 0.100000E-04    0.989597E+00
  26    0.698016E-05    0.345542E+03 -0.202006E-07 0.100000E-04    0.988264E+00
  27    0.483169E-05    0.324360E+03 -0.148961E-07 0.100000E-04    0.987676E+00
  28    0.368903E-05    0.323868E+03 -0.113905E-07 0.100000E-04    0.996809E+00
  29   -0.345437E-05    0.319010E+03  0.108284E-07 0.100000E-04    0.982734E+00
  30   -0.299559E-05    0.315723E+03  0.948804E-08 0.100000E-04    0.990011E+00
  31   -0.671470E-06    0.305417E+03  0.219854E-08 0.100000E-04    0.974449E+00
  32    0.348451E-06    0.287271E+03 -0.121297E-08 0.100000E-04    0.982847E+00
  33    0.248786E-05    0.280097E+03 -0.888212E-08 0.100000E-04    0.988812E+00
  34    0.109262E-05    0.271895E+03 -0.401855E-08 0.100000E-04    0.989514E+00
  35    0.722770E-05    0.265854E+03 -0.271867E-07 0.100000E-04    0.988436E+00
  36    0.849641E-06    0.261802E+03 -0.324536E-08 0.100000E-04    0.982265E+00
  37   -0.297421E-05    0.257665E+03  0.115429E-07 0.100000E-04    0.987711E+00
  38   -0.186578E-05    0.253366E+03  0.736397E-08 0.100000E-04    0.990607E+00
  39   -0.517722E-05    0.244799E+03  0.211489E-07 0.100000E-04    0.987635E+00
  40    0.129833E-05    0.239983E+03 -0.541011E-08 0.100000E-04    0.972298E+00
  41    0.197749E-05    0.233776E+03 -0.845891E-08 0.100000E-04    0.978599E+00
  42   -0.100239E-05    0.228360E+03  0.438952E-08 0.100000E-04    0.980594E+00
  43    0.946825E-06    0.225595E+03 -0.419701E-08 0.100000E-04    0.986212E+00
  44   -0.937921E-07    0.213077E+03  0.440180E-09 0.100000E-04    0.701578E+00
  45    0.246374E-05    0.211180E+03 -0.116665E-07 0.100000E-04    0.987165E+00
  46   -0.185981E-05    0.210035E+03  0.885477E-08 0.100000E-04    0.978746E+00
  47   -0.708022E-05    0.202821E+03  0.349086E-07 0.100000E-04    0.986781E+00
  48   -0.120418E-05    0.198823E+03  0.605656E-08 0.100000E-04    0.998482E+00
  49    0.347497E-05    0.195197E+03 -0.178024E-07 0.100000E-04    0.984987E+00
  50   -0.317239E-05    0.191710E+03  0.165479E-07 0.100000E-04    0.988394E+00
  51   -0.288916E-05    0.186555E+03  0.154869E-07 0.100000E-04    0.987937E+00
  52    0.435529E-06    0.178901E+03 -0.243446E-08 0.100000E-04    0.995390E+00
  53   -0.329874E-05    0.170683E+03  0.193267E-07 0.100000E-04    0.988844E+00
  54    0.878232E-06    0.168138E+03 -0.522327E-08 0.100000E-04    0.975601E+00
  55   -0.615075E-05    0.165814E+03  0.370944E-07 0.100000E-04    0.988423E+00
  56   -0.231062E-05    0.160724E+03  0.143763E-07 0.100000E-04    0.988908E+00
  57    0.104385E-05    0.154031E+03 -0.677690E-08 0.100000E-04    0.990871E+00
  58    0.489834E-05    0.151076E+03 -0.324230E-07 0.100000E-04    0.989105E+00
  59    0.292510E-05    0.148246E+03 -0.197315E-07 0.100000E-04    0.986451E+00
  60    0.472434E-05    0.142334E+03 -0.331919E-07 0.100000E-04    0.986728E+00
  61    0.363684E-05    0.136874E+03 -0.265707E-07 0.100000E-04    0.987652E+00
  62   -0.120585E-04    0.134504E+03  0.896516E-07 0.100000E-04    0.989025E+00
  63    0.755047E-05    0.131038E+03 -0.576206E-07 0.100000E-04    0.988580E+00
  64    0.116005E-05    0.127719E+03 -0.908283E-08 0.100000E-04    0.983616E+00
  65   -0.156455E-05    0.125554E+03  0.124612E-07 0.100000E-04    0.994652E+00
  66   -0.787069E-05    0.124195E+03  0.633738E-07 0.100000E-04    0.987789E+00
  67   -0.679940E-06    0.119432E+03  0.569312E-08 0.100000E-04    0.992447E+00
  68   -0.200250E-05    0.118014E+03  0.169684E-07 0.100000E-04    0.986598E+00
  69    0.904955E-06    0.116195E+03 -0.778822E-08 0.100000E-04    0.995385E+00
  70    0.260926E-05    0.112957E+03 -0.230996E-07 0.100000E-04    0.978458E+00
  71   -0.244049E-06    0.110509E+03  0.220841E-08 0.100000E-04    0.995334E+00
  72    0.914646E-05    0.105758E+03 -0.864850E-07 0.100000E-04    0.986628E+00
  73   -0.228079E-05    0.102846E+03  0.221768E-07 0.100000E-04    0.976523E+00
  74    0.116586E-04    0.100713E+03 -0.115760E-06 0.100000E-04    0.987644E+00
  75   -0.583225E-05    0.972161E+02  0.599927E-07 0.100000E-04    0.983297E+00
  76   -0.886322E-05    0.950018E+02  0.932954E-07 0.100000E-04    0.986474E+00
  77   -0.755256E-07    0.916288E+02  0.824256E-09 0.100000E-04    0.966785E+00
  78    0.159433E-04    0.903512E+02 -0.176459E-06 0.100000E-04    0.986013E+00
  79   -0.194674E-04    0.876287E+02  0.222158E-06 0.100000E-04    0.988982E+00
  80   -0.353052E-05    0.844281E+02  0.418168E-07 0.100000E-04    0.983519E+00
  81    0.481954E-05    0.809193E+02 -0.595598E-07 0.100000E-04    0.985566E+00
  82    0.833997E-05    0.789812E+02 -0.105594E-06 0.100000E-04    0.981277E+00
  83    0.875560E-05    0.787347E+02 -0.111204E-06 0.100000E-04    0.999263E+00
  84   -0.558761E-05    0.731608E+02  0.763743E-07 0.100000E-04    0.985024E+00
  85    0.127183E-04    0.711847E+02 -0.178666E-06 0.100000E-04    0.988316E+00
  86    0.161686E-04    0.698054E+02 -0.231624E-06 0.100000E-04    0.987427E+00
  87    0.596636E-05    0.674945E+02 -0.883976E-07 0.100000E-04    0.994912E+00
  88   -0.101319E-05    0.637345E+02  0.158970E-07 0.100000E-04    0.998681E+00
  89    0.139253E-04    0.624288E+02 -0.223059E-06 0.100000E-04    0.987498E+00
  90   -0.616550E-05    0.596589E+02  0.103346E-06 0.100000E-04    0.985810E+00
  91   -0.142833E-05    0.584257E+02  0.244469E-07 0.100000E-04    0.999687E+00
  92    0.129777E-04    0.558442E+02 -0.232392E-06 0.100000E-04    0.983869E+00
  93    0.213237E-04    0.536950E+02 -0.397126E-06 0.100000E-04    0.988834E+00
  94    0.769956E-05    0.523888E+02 -0.146969E-06 0.100000E-04    0.984176E+00
  95   -0.211372E-04    0.502767E+02  0.420417E-06 0.100000E-04    0.989830E+00
  96   -0.583422E-05    0.480506E+02  0.121418E-06 0.100000E-04    0.990361E+00
  97    0.109468E-04    0.438657E+02 -0.249552E-06 0.100000E-04    0.986794E+00
  98   -0.844725E-05    0.396655E+02  0.212962E-06 0.100000E-04    0.988797E+00
  99   -0.110102E-04    0.378700E+02  0.290738E-06 0.100000E-04    0.980828E+00
 100    0.204365E-04    0.360744E+02 -0.566508E-06 0.100000E-04    0.989323E+00
 101   -0.534363E-04    0.344696E+02  0.155025E-05 0.100000E-04    0.986898E+00
 102   -0.231962E-04    0.300092E+02  0.772970E-06 0.100000E-04    0.989400E+00
 103   -0.177528E-04    0.290432E+02  0.611255E-06 0.100000E-04    0.987374E+00
 104   -0.257685E-04    0.286911E+02  0.898133E-06 0.100000E-04    0.989294E+00
 105   -0.728456E-05    0.237053E+02  0.307297E-06 0.100000E-04    0.975670E+00
 106   -0.418686E-05    0.218605E+02  0.191526E-06 0.100000E-04    0.997107E+00
 107    0.512382E-04    0.196608E+02 -0.260611E-05 0.100000E-04    0.985738E+00
 108   -0.701397E-04    0.164424E+02  0.426577E-05 0.100000E-04    0.992239E+00
 109   -0.441934E-04    0.139680E+02  0.316391E-05 0.100000E-04    0.990022E+00
 110    0.144621E-04    0.128366E+02 -0.112663E-05 0.100000E-04    0.967039E+00
 111    0.598201E-04    0.118917E+02 -0.503040E-05 0.100000E-04    0.984885E+00
 112   -0.280148E-04    0.932113E+01  0.300551E-05 0.100000E-04    0.997124E+00
 113   -0.462256E-03    0.753424E+01  0.100000E-04 0.100000E-04    0.533069E+00
 114    0.136494E+00    0.473681E+01  0.400000E-03 0.400000E-03    0.507976E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2879182164E-01

 Beginning of optimization cycle   52.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4010488845
 potential> RMS force:                                               0.0129614176   |gradient|=.1383900704    
 Eigenvalues of the Hessian matrix:
   716.65990    669.69366    622.17878    602.41898    589.52402    562.98287 
   559.76664    477.41763    471.36207    463.96838    441.68920    432.24383 
   419.99308    405.17588    398.54255    388.12628    366.93211    364.46609 
   353.19138    345.50142    324.32849    323.87288    319.00560    315.74417 
   305.41646    287.27178    280.09459    271.88702    265.85172    261.80700 
   257.66367    253.36581    244.78250    239.97264    233.78441    228.36311 
   225.57688    213.06821    211.17523    210.03584    202.82282    198.81778 
   195.20008    191.70756    186.55383    178.88667    170.68233    168.13892 
   165.81225    160.72222    154.02401    151.07578    148.25254    142.33929 
   136.87495    134.50792    131.03750    127.71869    125.55695    124.20310 
   119.43131    118.01202    116.19943    112.95127    110.50354    105.75385 
   102.84488    100.70936     97.21698     95.00255     91.62198     90.35579 
    87.63916     84.42862     80.91813     78.98224     78.73536     73.15812 
    71.18783     69.79715     67.49842     63.72895     62.42641     59.65906 
    58.42868     55.84338     53.69460     52.38686     50.27750     48.04989 
    43.86133     39.66873     37.86223     36.07732     34.47461     29.99942 
    29.04201     28.69167     23.69962     21.86113     19.65764     16.44717 
    13.96539     12.83131     11.88600      9.32311      7.53575      4.73918 
overlap for current and previous eigenvector    109 is         0.9999929128
overlap for current and previous eigenvector    110 is         0.9999902033
overlap for current and previous eigenvector    111 is         0.9999889124
overlap for current and previous eigenvector    112 is         0.9999996458
overlap for current and previous eigenvector    113 is         0.9999992946
overlap for current and previous eigenvector    114 is         0.9999991026
J1,K1,R1,R2,RAT=   7   7    0.6230353582E-02     1.993605464        0.9936054643    
FOB,PFOB,DIAG,PSTEP=    0.3053612123E-06    0.3072758064E-06     716.6598965       -0.4287961899E-09
J1,K1,R1,R2,RAT=   8   8   -0.5569368224E-01     2.055632893        0.9443063178    
FOB,PFOB,DIAG,PSTEP=   -0.1758733678E-06   -0.1665948075E-06     669.6936570        0.2487702690E-09
J1,K1,R1,R2,RAT=   9   9   -0.1076363243E-01     2.010674682        0.9892363676    
FOB,PFOB,DIAG,PSTEP=    0.4343688987E-06    0.4297430962E-06     622.1787831       -0.6907374883E-09
J1,K1,R1,R2,RAT=  10  10   -0.5808407501E-02     2.005731533        0.9941915925    
FOB,PFOB,DIAG,PSTEP=    0.1092787573E-05    0.1086476631E-05     602.4189800       -0.1803592566E-08
J1,K1,R1,R2,RAT=  11  11   -0.3291736782E-02     2.003272797        0.9967082632    
FOB,PFOB,DIAG,PSTEP=   -0.8503915226E-06   -0.8476014154E-06     589.5240171        0.1437786108E-08
J1,K1,R1,R2,RAT= 109 109   -0.9794060213E-02     2.010161626        0.9902059398    
FOB,PFOB,DIAG,PSTEP=   -0.4462616718E-04   -0.4419341376E-04     13.96538759        0.3163914569E-05
J1,K1,R1,R2,RAT= 110 110   -0.3264590566E-01     2.033474771        0.9673540943    
FOB,PFOB,DIAG,PSTEP=    0.1493406760E-04    0.1446213373E-04     12.83130703       -0.1126630560E-05
J1,K1,R1,R2,RAT= 111 111   -0.1487093001E-01     2.015832263        0.9851290700    
FOB,PFOB,DIAG,PSTEP=    0.6070923407E-04    0.5982008121E-04     11.88600133       -0.5030400037E-05
J1,K1,R1,R2,RAT= 112 112   -0.2583873113E-02     2.002160546        0.9974161269    
FOB,PFOB,DIAG,PSTEP=   -0.2808720118E-04   -0.2801479917E-04     9.323105899        0.3005514518E-05
J1,K1,R1,R2,RAT= 113 113   -0.4824367535         12.75076833        0.5175632465    
FOB,PFOB,DIAG,PSTEP=   -0.4986107716E-03   -0.4622555333E-03     7.535752200        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9994809690        -145.0059402        0.5190310476E-03
FOB,PFOB,DIAG,PSTEP=    0.1383890867        0.1364944000         4.739176310        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000     -0.00001      0.00001      0.00001     -0.00000      0.00002 
    -0.00002     -0.00000      0.00000      0.00001      0.00001     -0.00001 
     0.00001     -0.00002     -0.00001      0.00000      0.00001     -0.00001 
    -0.00000      0.00001      0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001     -0.00001      0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003     -0.00001     -0.00000      0.00005     -0.00007 
    -0.00004      0.00001      0.00006     -0.00003     -0.00050      0.13839 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4343044965
 Log product of positive Hessian eigenvalues =          520.4960571540
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7391763104
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000038
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000094
 Unscaled step for mode   15=       -0.0000000030
 Unscaled step for mode   16=       -0.0000000013
 Unscaled step for mode   17=       -0.0000000011
 Unscaled step for mode   18=       -0.0000000052
 Unscaled step for mode   19=       -0.0000000099
 Unscaled step for mode   20=       -0.0000000150
 Unscaled step for mode   21=       -0.0000000071
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000045
 Unscaled step for mode   25=        0.0000000141
 Unscaled step for mode   26=       -0.0000000204
 Unscaled step for mode   27=       -0.0000000151
 Unscaled step for mode   28=       -0.0000000114
 Unscaled step for mode   29=        0.0000000110
 Unscaled step for mode   30=        0.0000000096
 Unscaled step for mode   31=        0.0000000023
 Unscaled step for mode   32=       -0.0000000012
 Unscaled step for mode   33=       -0.0000000090
 Unscaled step for mode   34=       -0.0000000041
 Unscaled step for mode   35=       -0.0000000275
 Unscaled step for mode   36=       -0.0000000033
 Unscaled step for mode   37=        0.0000000117
 Unscaled step for mode   38=        0.0000000074
 Unscaled step for mode   39=        0.0000000214
 Unscaled step for mode   40=       -0.0000000056
 Unscaled step for mode   41=       -0.0000000086
 Unscaled step for mode   42=        0.0000000045
 Unscaled step for mode   43=       -0.0000000043
 Unscaled step for mode   44=        0.0000000005
 Unscaled step for mode   45=       -0.0000000118
 Unscaled step for mode   46=        0.0000000090
 Unscaled step for mode   47=        0.0000000354
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000181
 Unscaled step for mode   50=        0.0000000167
 Unscaled step for mode   51=        0.0000000157
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000195
 Unscaled step for mode   54=       -0.0000000053
 Unscaled step for mode   55=        0.0000000375
 Unscaled step for mode   56=        0.0000000145
 Unscaled step for mode   57=       -0.0000000068
 Unscaled step for mode   58=       -0.0000000328
 Unscaled step for mode   59=       -0.0000000200
 Unscaled step for mode   60=       -0.0000000336
 Unscaled step for mode   61=       -0.0000000269
 Unscaled step for mode   62=        0.0000000906
 Unscaled step for mode   63=       -0.0000000583
 Unscaled step for mode   64=       -0.0000000092
 Unscaled step for mode   65=        0.0000000125
 Unscaled step for mode   66=        0.0000000641
 Unscaled step for mode   67=        0.0000000057
 Unscaled step for mode   68=        0.0000000172
 Unscaled step for mode   69=       -0.0000000077
 Unscaled step for mode   70=       -0.0000000236
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=       -0.0000000876
 Unscaled step for mode   73=        0.0000000227
 Unscaled step for mode   74=        0.0000001172
 Unscaled step for mode   75=       -0.0000000610
 Unscaled step for mode   76=       -0.0000000945
 Unscaled step for mode   77=        0.0000000009
 Unscaled step for mode   78=       -0.0000001789
 Unscaled step for mode   79=        0.0000002245
 Unscaled step for mode   80=        0.0000000425
 Unscaled step for mode   81=       -0.0000000604
 Unscaled step for mode   82=       -0.0000001075
 Unscaled step for mode   83=       -0.0000001112
 Unscaled step for mode   84=        0.0000000775
 Unscaled step for mode   85=       -0.0000001807
 Unscaled step for mode   86=        0.0000002345
 Unscaled step for mode   87=        0.0000000888
 Unscaled step for mode   88=       -0.0000000159
 Unscaled step for mode   89=       -0.0000002258
 Unscaled step for mode   90=        0.0000001048
 Unscaled step for mode   91=        0.0000000244
 Unscaled step for mode   92=       -0.0000002361
 Unscaled step for mode   93=       -0.0000004015
 Unscaled step for mode   94=       -0.0000001493
 Unscaled step for mode   95=        0.0000004246
 Unscaled step for mode   96=        0.0000001226
 Unscaled step for mode   97=       -0.0000002528
 Unscaled step for mode   98=        0.0000002153
 Unscaled step for mode   99=        0.0000002963
 Unscaled step for mode  100=       -0.0000005724
 Unscaled step for mode  101=        0.0000015700
 Unscaled step for mode  102=        0.0000007813
 Unscaled step for mode  103=        0.0000006189
 Unscaled step for mode  104=        0.0000009076
 Unscaled step for mode  105=        0.0000003147
 Unscaled step for mode  106=        0.0000001920
 Unscaled step for mode  107=       -0.0000026432
 Unscaled step for mode  108=        0.0000042967
 Unscaled step for mode  109=        0.0000031955
 Unscaled step for mode  110=       -0.0000011639
 Unscaled step for mode  111=       -0.0000051076
 Unscaled step for mode  112=        0.0000030126
 Unscaled step for mode  113=        0.0000661660
 Unscaled step for mode  114=        0.0291762268
 Largest modulus ratio of non-zero e/values=           151.2203492    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.149945E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.239175E-15    0.100778E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.624934E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.217057E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.458515E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.366596E-16    0.973453E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.305361E-06    0.716660E+03 -0.426089E-09 0.100000E-04    0.993605E+00
   8   -0.175873E-06    0.669694E+03  0.262618E-09 0.100000E-04    0.944306E+00
   9    0.434369E-06    0.622179E+03 -0.698142E-09 0.100000E-04    0.989236E+00
  10    0.109279E-05    0.602419E+03 -0.181400E-08 0.100000E-04    0.994192E+00
  11   -0.850392E-06    0.589524E+03  0.144251E-08 0.100000E-04    0.996708E+00
  12    0.212961E-05    0.562983E+03 -0.378273E-08 0.100000E-04    0.993932E+00
  13    0.207451E-05    0.559767E+03 -0.370603E-08 0.100000E-04    0.998583E+00
  14   -0.447196E-05    0.477418E+03  0.936698E-08 0.100000E-04    0.994240E+00
  15    0.141052E-05    0.471362E+03 -0.299244E-08 0.100000E-04    0.995889E+00
  16    0.601184E-06    0.463968E+03 -0.129574E-08 0.100000E-04    0.983421E+00
  17    0.502293E-06    0.441689E+03 -0.113721E-08 0.100000E-04    0.979855E+00
  18    0.226670E-05    0.432244E+03 -0.524404E-08 0.100000E-04    0.992288E+00
  19    0.416146E-05    0.419993E+03 -0.990840E-08 0.100000E-04    0.989979E+00
  20    0.607367E-05    0.405176E+03 -0.149902E-07 0.100000E-04    0.993485E+00
  21    0.284341E-05    0.398543E+03 -0.713451E-08 0.100000E-04    0.988879E+00
  22   -0.882295E-06    0.388126E+03  0.227322E-08 0.100000E-04    0.993363E+00
  23   -0.191669E-05    0.366932E+03  0.522354E-08 0.100000E-04    0.997482E+00
  24    0.162741E-05    0.364466E+03 -0.446519E-08 0.100000E-04    0.994586E+00
  25   -0.498826E-05    0.353191E+03  0.141234E-07 0.100000E-04    0.989686E+00
  26    0.706143E-05    0.345501E+03 -0.204382E-07 0.100000E-04    0.988355E+00
  27    0.489321E-05    0.324328E+03 -0.150872E-07 0.100000E-04    0.987265E+00
  28    0.369647E-05    0.323873E+03 -0.114133E-07 0.100000E-04    0.997982E+00
  29   -0.351356E-05    0.319006E+03  0.110141E-07 0.100000E-04    0.982865E+00
  30   -0.302549E-05    0.315744E+03  0.958209E-08 0.100000E-04    0.990021E+00
  31   -0.688398E-06    0.305416E+03  0.225397E-08 0.100000E-04    0.974790E+00
  32    0.342191E-06    0.287272E+03 -0.119118E-08 0.100000E-04    0.982032E+00
  33    0.251544E-05    0.280095E+03 -0.898067E-08 0.100000E-04    0.988914E+00
  34    0.110404E-05    0.271887E+03 -0.406065E-08 0.100000E-04    0.989553E+00
  35    0.731047E-05    0.265852E+03 -0.274983E-07 0.100000E-04    0.988549E+00
  36    0.864672E-06    0.261807E+03 -0.330271E-08 0.100000E-04    0.982309E+00
  37   -0.301046E-05    0.257664E+03  0.116837E-07 0.100000E-04    0.987811E+00
  38   -0.188311E-05    0.253366E+03  0.743239E-08 0.100000E-04    0.990710E+00
  39   -0.524060E-05    0.244782E+03  0.214092E-07 0.100000E-04    0.987758E+00
  40    0.133385E-05    0.239973E+03 -0.555833E-08 0.100000E-04    0.972645E+00
  41    0.201940E-05    0.233784E+03 -0.863789E-08 0.100000E-04    0.978806E+00
  42   -0.102164E-05    0.228363E+03  0.447376E-08 0.100000E-04    0.980798E+00
  43    0.959817E-06    0.225577E+03 -0.425494E-08 0.100000E-04    0.986278E+00
  44   -0.115908E-06    0.213068E+03  0.543997E-09 0.100000E-04    0.764189E+00
  45    0.249460E-05    0.211175E+03 -0.118130E-07 0.100000E-04    0.987471E+00
  46   -0.189940E-05    0.210036E+03  0.904324E-08 0.100000E-04    0.978711E+00
  47   -0.717291E-05    0.202823E+03  0.353654E-07 0.100000E-04    0.986909E+00
  48   -0.120574E-05    0.198818E+03  0.606454E-08 0.100000E-04    0.998708E+00
  49    0.352667E-05    0.195200E+03 -0.180669E-07 0.100000E-04    0.985122E+00
  50   -0.320881E-05    0.191708E+03  0.167380E-07 0.100000E-04    0.988520E+00
  51   -0.292366E-05    0.186554E+03  0.156719E-07 0.100000E-04    0.988060E+00
  52    0.437457E-06    0.178887E+03 -0.244544E-08 0.100000E-04    0.995574E+00
  53   -0.333508E-05    0.170682E+03  0.195397E-07 0.100000E-04    0.988982E+00
  54    0.899431E-06    0.168139E+03 -0.534933E-08 0.100000E-04    0.975862E+00
  55   -0.622115E-05    0.165812E+03  0.375193E-07 0.100000E-04    0.988554E+00
  56   -0.233595E-05    0.160722E+03  0.145341E-07 0.100000E-04    0.989037E+00
  57    0.105329E-05    0.154024E+03 -0.683850E-08 0.100000E-04    0.990957E+00
  58    0.495114E-05    0.151076E+03 -0.327726E-07 0.100000E-04    0.989221E+00
  59    0.296426E-05    0.148253E+03 -0.199946E-07 0.100000E-04    0.986615E+00
  60    0.478633E-05    0.142339E+03 -0.336262E-07 0.100000E-04    0.986880E+00
  61    0.368132E-05    0.136875E+03 -0.268955E-07 0.100000E-04    0.987772E+00
  62   -0.121892E-04    0.134508E+03  0.906207E-07 0.100000E-04    0.989163E+00
  63    0.763568E-05    0.131038E+03 -0.582710E-07 0.100000E-04    0.988715E+00
  64    0.117895E-05    0.127719E+03 -0.923086E-08 0.100000E-04    0.983706E+00
  65   -0.157250E-05    0.125557E+03  0.125242E-07 0.100000E-04    0.994915E+00
  66   -0.796573E-05    0.124203E+03  0.641347E-07 0.100000E-04    0.987925E+00
  67   -0.685020E-06    0.119431E+03  0.573568E-08 0.100000E-04    0.992529E+00
  68   -0.202906E-05    0.118012E+03  0.171937E-07 0.100000E-04    0.986734E+00
  69    0.900512E-06    0.116199E+03 -0.774971E-08 0.100000E-04    0.995020E+00
  70    0.266474E-05    0.112951E+03 -0.235919E-07 0.100000E-04    0.978737E+00
  71   -0.242758E-06    0.110504E+03  0.219683E-08 0.100000E-04    0.994708E+00
  72    0.926749E-05    0.105754E+03 -0.876327E-07 0.100000E-04    0.986767E+00
  73   -0.233372E-05    0.102845E+03  0.226917E-07 0.100000E-04    0.976791E+00
  74   -0.118008E-04    0.100709E+03  0.117177E-06 0.100000E-04    0.987802E+00
  75    0.592880E-05    0.972170E+02 -0.609852E-07 0.100000E-04    0.983446E+00
  76    0.898174E-05    0.950025E+02 -0.945421E-07 0.100000E-04    0.986628E+00
  77   -0.779950E-07    0.916220E+02  0.851270E-09 0.100000E-04    0.967301E+00
  78    0.161639E-04    0.903558E+02 -0.178891E-06 0.100000E-04    0.986167E+00
  79   -0.196785E-04    0.876392E+02  0.224540E-06 0.100000E-04    0.989159E+00
  80   -0.358810E-05    0.844286E+02  0.424987E-07 0.100000E-04    0.983688E+00
  81    0.488822E-05    0.809181E+02 -0.604095E-07 0.100000E-04    0.985748E+00
  82    0.849339E-05    0.789822E+02 -0.107535E-06 0.100000E-04    0.981605E+00
  83    0.875912E-05    0.787354E+02 -0.111248E-06 0.100000E-04    0.999598E+00
  84   -0.567045E-05    0.731581E+02  0.775094E-07 0.100000E-04    0.985175E+00
  85    0.128650E-04    0.711878E+02 -0.180720E-06 0.100000E-04    0.988460E+00
  86   -0.163690E-04    0.697972E+02  0.234522E-06 0.100000E-04    0.987605E+00
  87   -0.599526E-05    0.674984E+02  0.888208E-07 0.100000E-04    0.995155E+00
  88    0.101376E-05    0.637290E+02 -0.159073E-07 0.100000E-04    0.999438E+00
  89    0.140973E-04    0.624264E+02 -0.225822E-06 0.100000E-04    0.987653E+00
  90   -0.625190E-05    0.596591E+02  0.104794E-06 0.100000E-04    0.985987E+00
  91   -0.142761E-05    0.584287E+02  0.244334E-07 0.100000E-04    0.999398E+00
  92    0.131847E-04    0.558434E+02 -0.236102E-06 0.100000E-04    0.984051E+00
  93    0.215578E-04    0.536946E+02 -0.401489E-06 0.100000E-04    0.989019E+00
  94    0.782004E-05    0.523869E+02 -0.149275E-06 0.100000E-04    0.984351E+00
  95   -0.213484E-04    0.502775E+02  0.424611E-06 0.100000E-04    0.990008E+00
  96   -0.588951E-05    0.480499E+02  0.122571E-06 0.100000E-04    0.990523E+00
  97    0.110894E-04    0.438613E+02 -0.252828E-06 0.100000E-04    0.986971E+00
  98   -0.854060E-05    0.396687E+02  0.215298E-06 0.100000E-04    0.988950E+00
  99   -0.112193E-04    0.378622E+02  0.296320E-06 0.100000E-04    0.981005E+00
 100    0.206512E-04    0.360773E+02 -0.572415E-06 0.100000E-04    0.989493E+00
 101   -0.541258E-04    0.344746E+02  0.157002E-05 0.100000E-04    0.987100E+00
 102   -0.234386E-04    0.299994E+02  0.781300E-06 0.100000E-04    0.989550E+00
 103   -0.179737E-04    0.290420E+02  0.618887E-06 0.100000E-04    0.987556E+00
 104   -0.260395E-04    0.286917E+02  0.907563E-06 0.100000E-04    0.989482E+00
 105   -0.745890E-05    0.236996E+02  0.314727E-06 0.100000E-04    0.976062E+00
 106   -0.419781E-05    0.218611E+02  0.192022E-06 0.100000E-04    0.997383E+00
 107    0.519582E-04    0.196576E+02 -0.264316E-05 0.100000E-04    0.985945E+00
 108   -0.706689E-04    0.164472E+02  0.429672E-05 0.100000E-04    0.992456E+00
 109   -0.446262E-04    0.139654E+02  0.319548E-05 0.100000E-04    0.990206E+00
 110    0.149341E-04    0.128313E+02 -0.116388E-05 0.100000E-04    0.967354E+00
 111    0.607092E-04    0.118860E+02 -0.510762E-05 0.100000E-04    0.985129E+00
 112   -0.280872E-04    0.932311E+01  0.301264E-05 0.100000E-04    0.997416E+00
 113   -0.498611E-03    0.753575E+01  0.100000E-04 0.100000E-04    0.517563E+00
 114    0.138389E+00    0.473918E+01  0.400000E-03 0.400000E-03    0.519031E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2917622675E-01

 Beginning of optimization cycle   53.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4009931549
 potential> RMS force:                                               0.0131389685   |gradient|=.1402857949    
 Eigenvalues of the Hessian matrix:
   716.71874    669.71396    622.20634    602.44198    589.52949    563.00667 
   559.80402    477.43116    471.34032    463.95559    441.68494    432.23235 
   420.00048    405.18628    398.53920    388.13223    366.93176    364.45540 
   353.18015    345.46080    324.29693    323.87747    319.00133    315.76501 
   305.41579    287.27237    280.09195    271.87915    265.84920    261.81236 
   257.66260    253.36568    244.76639    239.96263    233.79286    228.36589 
   225.55872    213.05968    211.17110    210.03657    202.82419    198.81250 
   195.20314    191.70546    186.55241    178.87188    170.68153    168.13958 
   165.81089    160.72037    154.01685    151.07527    148.25944    142.34439 
   136.87577    134.51162    131.03719    127.71812    125.56028    124.21145 
   119.43074    118.01038    116.20357    112.94535    110.49809    105.74988 
   102.84397    100.70529     97.21784     95.00335     91.61521     90.36041 
    87.64970     84.42912     80.91699     78.98335     78.73599     73.15540 
    71.19096     69.78890     67.50232     63.72347     62.42396     59.65924 
    58.43170     55.84260     53.69420     52.38489     50.27827     48.04919 
    43.85700     39.67197     37.85446     36.08021     34.47970     29.98962 
    29.04082     28.69219     23.69394     21.86180     19.65458     16.45187 
    13.96284     12.82600     11.88022      9.32508      7.53725      4.74151 
overlap for current and previous eigenvector    109 is         0.9999929813
overlap for current and previous eigenvector    110 is         0.9999901417
overlap for current and previous eigenvector    111 is         0.9999887813
overlap for current and previous eigenvector    112 is         0.9999996456
overlap for current and previous eigenvector    113 is         0.9999992954
overlap for current and previous eigenvector    114 is         0.9999991068
J1,K1,R1,R2,RAT=   7   7    0.6562789802E-02     1.993272996        0.9932729962    
FOB,PFOB,DIAG,PSTEP=    0.3033570263E-06    0.3053612123E-06     716.7187441       -0.4260894377E-09
J1,K1,R1,R2,RAT=   8   8   -0.5323274499E-01     2.053172103        0.9467672550    
FOB,PFOB,DIAG,PSTEP=   -0.1852358738E-06   -0.1758733678E-06     669.7139636        0.2626176400E-09
J1,K1,R1,R2,RAT=   9   9   -0.1060882904E-01     2.010520251        0.9893911710    
FOB,PFOB,DIAG,PSTEP=    0.4389772482E-06    0.4343688987E-06     622.2063399       -0.6981416122E-09
J1,K1,R1,R2,RAT=  10  10   -0.5735087741E-02     2.005658719        0.9942649123    
FOB,PFOB,DIAG,PSTEP=    0.1099055044E-05    0.1092787573E-05     602.4419838       -0.1813999241E-08
J1,K1,R1,R2,RAT=  11  11   -0.3241948175E-02     2.003223371        0.9967580518    
FOB,PFOB,DIAG,PSTEP=   -0.8531484735E-06   -0.8503915226E-06     589.5294930        0.1442505306E-08
J1,K1,R1,R2,RAT= 109 109   -0.9615475369E-02     2.009980254        0.9903845246    
FOB,PFOB,DIAG,PSTEP=   -0.4505519075E-04   -0.4462616718E-04     13.96284092        0.3195483613E-05
J1,K1,R1,R2,RAT= 110 110   -0.3233017139E-01     2.033157900        0.9676698286    
FOB,PFOB,DIAG,PSTEP=    0.1541668882E-04    0.1493406760E-04     12.82599881       -0.1163877348E-05
J1,K1,R1,R2,RAT= 111 111   -0.1463207213E-01     2.015605096        0.9853679279    
FOB,PFOB,DIAG,PSTEP=    0.6159710400E-04    0.6070923407E-04     11.88022146       -0.5107624709E-05
J1,K1,R1,R2,RAT= 112 112   -0.2295315855E-02     2.001872287        0.9977046841    
FOB,PFOB,DIAG,PSTEP=   -0.2815168382E-04   -0.2808720118E-04     9.325078286        0.3012644229E-05
J1,K1,R1,R2,RAT= 113 113   -0.4978081014         13.72838901        0.5021918986    
FOB,PFOB,DIAG,PSTEP=   -0.5361317971E-03   -0.4986107716E-03     7.537246852        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9994695198        -146.9330527        0.5304801750E-03
FOB,PFOB,DIAG,PSTEP=    0.1402846842        0.1383890867         4.741509240        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000      0.00001      0.00000      0.00000 
     0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000      0.00001     -0.00001      0.00001     -0.00000      0.00002 
    -0.00002     -0.00000      0.00000      0.00001     -0.00001      0.00001 
     0.00001     -0.00002     -0.00001      0.00000      0.00001     -0.00001 
    -0.00000      0.00001      0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001     -0.00001      0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003     -0.00001     -0.00000      0.00005     -0.00007 
    -0.00005      0.00002      0.00006     -0.00003     -0.00054      0.14028 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4343816801
 Log product of positive Hessian eigenvalues =          520.4950980542
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7415092404
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=       -0.0000000038
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000094
 Unscaled step for mode   15=       -0.0000000030
 Unscaled step for mode   16=       -0.0000000013
 Unscaled step for mode   17=       -0.0000000012
 Unscaled step for mode   18=       -0.0000000053
 Unscaled step for mode   19=       -0.0000000100
 Unscaled step for mode   20=       -0.0000000151
 Unscaled step for mode   21=       -0.0000000072
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000045
 Unscaled step for mode   25=        0.0000000143
 Unscaled step for mode   26=       -0.0000000207
 Unscaled step for mode   27=       -0.0000000153
 Unscaled step for mode   28=       -0.0000000114
 Unscaled step for mode   29=        0.0000000112
 Unscaled step for mode   30=        0.0000000097
 Unscaled step for mode   31=        0.0000000023
 Unscaled step for mode   32=       -0.0000000012
 Unscaled step for mode   33=       -0.0000000091
 Unscaled step for mode   34=       -0.0000000041
 Unscaled step for mode   35=       -0.0000000278
 Unscaled step for mode   36=       -0.0000000034
 Unscaled step for mode   37=        0.0000000118
 Unscaled step for mode   38=        0.0000000075
 Unscaled step for mode   39=        0.0000000217
 Unscaled step for mode   40=       -0.0000000057
 Unscaled step for mode   41=       -0.0000000088
 Unscaled step for mode   42=        0.0000000046
 Unscaled step for mode   43=       -0.0000000043
 Unscaled step for mode   44=        0.0000000007
 Unscaled step for mode   45=       -0.0000000120
 Unscaled step for mode   46=        0.0000000092
 Unscaled step for mode   47=        0.0000000358
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000183
 Unscaled step for mode   50=        0.0000000169
 Unscaled step for mode   51=        0.0000000159
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000198
 Unscaled step for mode   54=       -0.0000000055
 Unscaled step for mode   55=        0.0000000379
 Unscaled step for mode   56=        0.0000000147
 Unscaled step for mode   57=       -0.0000000069
 Unscaled step for mode   58=       -0.0000000331
 Unscaled step for mode   59=       -0.0000000203
 Unscaled step for mode   60=       -0.0000000341
 Unscaled step for mode   61=       -0.0000000272
 Unscaled step for mode   62=        0.0000000916
 Unscaled step for mode   63=       -0.0000000589
 Unscaled step for mode   64=       -0.0000000094
 Unscaled step for mode   65=        0.0000000126
 Unscaled step for mode   66=        0.0000000649
 Unscaled step for mode   67=       -0.0000000058
 Unscaled step for mode   68=       -0.0000000174
 Unscaled step for mode   69=       -0.0000000077
 Unscaled step for mode   70=       -0.0000000241
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=       -0.0000000888
 Unscaled step for mode   73=        0.0000000232
 Unscaled step for mode   74=       -0.0000001186
 Unscaled step for mode   75=        0.0000000620
 Unscaled step for mode   76=       -0.0000000958
 Unscaled step for mode   77=        0.0000000009
 Unscaled step for mode   78=       -0.0000001813
 Unscaled step for mode   79=        0.0000002269
 Unscaled step for mode   80=        0.0000000432
 Unscaled step for mode   81=       -0.0000000613
 Unscaled step for mode   82=       -0.0000001095
 Unscaled step for mode   83=        0.0000001113
 Unscaled step for mode   84=       -0.0000000787
 Unscaled step for mode   85=       -0.0000001828
 Unscaled step for mode   86=        0.0000002374
 Unscaled step for mode   87=        0.0000000892
 Unscaled step for mode   88=       -0.0000000159
 Unscaled step for mode   89=       -0.0000002286
 Unscaled step for mode   90=        0.0000001062
 Unscaled step for mode   91=        0.0000000244
 Unscaled step for mode   92=       -0.0000002398
 Unscaled step for mode   93=       -0.0000004058
 Unscaled step for mode   94=       -0.0000001516
 Unscaled step for mode   95=        0.0000004288
 Unscaled step for mode   96=        0.0000001237
 Unscaled step for mode   97=       -0.0000002561
 Unscaled step for mode   98=        0.0000002176
 Unscaled step for mode   99=        0.0000003020
 Unscaled step for mode  100=       -0.0000005783
 Unscaled step for mode  101=        0.0000015897
 Unscaled step for mode  102=        0.0000007896
 Unscaled step for mode  103=        0.0000006265
 Unscaled step for mode  104=        0.0000009169
 Unscaled step for mode  105=        0.0000003222
 Unscaled step for mode  106=        0.0000001925
 Unscaled step for mode  107=       -0.0000026802
 Unscaled step for mode  108=        0.0000043270
 Unscaled step for mode  109=        0.0000032268
 Unscaled step for mode  110=       -0.0000012020
 Unscaled step for mode  111=       -0.0000051848
 Unscaled step for mode  112=        0.0000030189
 Unscaled step for mode  113=        0.0000711310
 Unscaled step for mode  114=        0.0295606508
 Largest modulus ratio of non-zero e/values=           151.1583565    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.308456E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.674265E-15    0.100778E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.221425E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.504154E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.432827E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.705002E-16    0.973454E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.303357E-06    0.716719E+03 -0.423258E-09 0.100000E-04    0.993273E+00
   8   -0.185236E-06    0.669714E+03  0.276590E-09 0.100000E-04    0.946767E+00
   9    0.438977E-06    0.622206E+03 -0.705517E-09 0.100000E-04    0.989391E+00
  10    0.109906E-05    0.602442E+03 -0.182433E-08 0.100000E-04    0.994265E+00
  11   -0.853148E-06    0.589529E+03  0.144717E-08 0.100000E-04    0.996758E+00
  12    0.214241E-05    0.563007E+03 -0.380530E-08 0.100000E-04    0.993990E+00
  13    0.207724E-05    0.559804E+03 -0.371065E-08 0.100000E-04    0.998688E+00
  14   -0.449734E-05    0.477431E+03  0.941987E-08 0.100000E-04    0.994325E+00
  15    0.141624E-05    0.471340E+03 -0.300471E-08 0.100000E-04    0.995945E+00
  16    0.611086E-06    0.463956E+03 -0.131712E-08 0.100000E-04    0.983529E+00
  17    0.512296E-06    0.441685E+03 -0.115987E-08 0.100000E-04    0.980085E+00
  18    0.228402E-05    0.432232E+03 -0.528423E-08 0.100000E-04    0.992361E+00
  19    0.420282E-05    0.420000E+03 -0.100067E-07 0.100000E-04    0.990061E+00
  20    0.611274E-05    0.405186E+03 -0.150862E-07 0.100000E-04    0.993569E+00
  21    0.287469E-05    0.398539E+03 -0.721307E-08 0.100000E-04    0.988997E+00
  22   -0.876192E-06    0.388132E+03  0.225746E-08 0.100000E-04    0.993052E+00
  23   -0.192132E-05    0.366932E+03  0.523619E-08 0.100000E-04    0.997580E+00
  24    0.163604E-05    0.364455E+03 -0.448901E-08 0.100000E-04    0.994694E+00
  25   -0.503927E-05    0.353180E+03  0.142683E-07 0.100000E-04    0.989774E+00
  26    0.714302E-05    0.345461E+03 -0.206768E-07 0.100000E-04    0.988445E+00
  27    0.495819E-05    0.324297E+03 -0.152890E-07 0.100000E-04    0.986721E+00
  28    0.369850E-05    0.323877E+03 -0.114194E-07 0.100000E-04    0.999451E+00
  29   -0.357330E-05    0.319001E+03  0.112015E-07 0.100000E-04    0.982996E+00
  30   -0.305566E-05    0.315765E+03  0.967700E-08 0.100000E-04    0.990029E+00
  31   -0.705525E-06    0.305416E+03  0.231005E-08 0.100000E-04    0.975121E+00
  32    0.335753E-06    0.287272E+03 -0.116876E-08 0.100000E-04    0.981180E+00
  33    0.254307E-05    0.280092E+03 -0.907941E-08 0.100000E-04    0.989014E+00
  34    0.111553E-05    0.271879E+03 -0.410304E-08 0.100000E-04    0.989590E+00
  35    0.739337E-05    0.265849E+03 -0.278104E-07 0.100000E-04    0.988660E+00
  36    0.879932E-06    0.261812E+03 -0.336092E-08 0.100000E-04    0.982353E+00
  37   -0.304686E-05    0.257663E+03  0.118250E-07 0.100000E-04    0.987909E+00
  38   -0.190042E-05    0.253366E+03  0.750070E-08 0.100000E-04    0.990810E+00
  39   -0.530412E-05    0.244766E+03  0.216701E-07 0.100000E-04    0.987878E+00
  40    0.136988E-05    0.239963E+03 -0.570873E-08 0.100000E-04    0.972984E+00
  41    0.206179E-05    0.233793E+03 -0.881889E-08 0.100000E-04    0.979009E+00
  42   -0.104105E-05    0.228366E+03  0.455871E-08 0.100000E-04    0.980998E+00
  43    0.972926E-06    0.225559E+03 -0.431340E-08 0.100000E-04    0.986342E+00
  44   -0.138588E-06    0.213060E+03  0.650467E-09 0.100000E-04    0.804323E+00
  45    0.252510E-05    0.211171E+03 -0.119576E-07 0.100000E-04    0.987774E+00
  46   -0.193989E-05    0.210037E+03  0.923597E-08 0.100000E-04    0.978685E+00
  47   -0.726591E-05    0.202824E+03  0.358237E-07 0.100000E-04    0.987034E+00
  48   -0.120702E-05    0.198813E+03  0.607117E-08 0.100000E-04    0.998933E+00
  49    0.357867E-05    0.195203E+03 -0.183331E-07 0.100000E-04    0.985254E+00
  50   -0.324525E-05    0.191705E+03  0.169283E-07 0.100000E-04    0.988644E+00
  51   -0.295822E-05    0.186552E+03  0.158573E-07 0.100000E-04    0.988180E+00
  52    0.439313E-06    0.178872E+03 -0.245602E-08 0.100000E-04    0.995756E+00
  53   -0.337137E-05    0.170682E+03  0.197524E-07 0.100000E-04    0.989117E+00
  54    0.920912E-06    0.168140E+03 -0.547707E-08 0.100000E-04    0.976118E+00
  55   -0.629156E-05    0.165811E+03  0.379442E-07 0.100000E-04    0.988682E+00
  56   -0.236126E-05    0.160720E+03  0.146918E-07 0.100000E-04    0.989164E+00
  57    0.106273E-05    0.154017E+03 -0.690010E-08 0.100000E-04    0.991038E+00
  58    0.500395E-05    0.151075E+03 -0.331222E-07 0.100000E-04    0.989335E+00
  59    0.300346E-05    0.148259E+03 -0.202581E-07 0.100000E-04    0.986776E+00
  60    0.484842E-05    0.142344E+03 -0.340612E-07 0.100000E-04    0.987028E+00
  61    0.372590E-05    0.136876E+03 -0.272211E-07 0.100000E-04    0.987888E+00
  62   -0.123197E-04    0.134512E+03  0.915880E-07 0.100000E-04    0.989298E+00
  63    0.772085E-05    0.131037E+03 -0.589211E-07 0.100000E-04    0.988846E+00
  64    0.119806E-05    0.127718E+03 -0.938050E-08 0.100000E-04    0.983794E+00
  65   -0.158009E-05    0.125560E+03  0.125843E-07 0.100000E-04    0.995176E+00
  66   -0.806086E-05    0.124211E+03  0.648963E-07 0.100000E-04    0.988058E+00
  67    0.690085E-06    0.119431E+03 -0.577812E-08 0.100000E-04    0.992607E+00
  68    0.205571E-05    0.118010E+03 -0.174197E-07 0.100000E-04    0.986868E+00
  69    0.895760E-06    0.116204E+03 -0.770854E-08 0.100000E-04    0.994652E+00
  70    0.272067E-05    0.112945E+03 -0.240884E-07 0.100000E-04    0.979009E+00
  71   -0.241317E-06    0.110498E+03  0.218391E-08 0.100000E-04    0.994066E+00
  72    0.938887E-05    0.105750E+03 -0.887838E-07 0.100000E-04    0.986902E+00
  73   -0.238727E-05    0.102844E+03  0.232125E-07 0.100000E-04    0.977054E+00
  74    0.119429E-04    0.100705E+03 -0.118592E-06 0.100000E-04    0.987957E+00
  75   -0.602608E-05    0.972178E+02  0.619853E-07 0.100000E-04    0.983592E+00
  76    0.910050E-05    0.950033E+02 -0.957913E-07 0.100000E-04    0.986778E+00
  77   -0.805092E-07    0.916152E+02  0.878776E-09 0.100000E-04    0.967762E+00
  78    0.163850E-04    0.903604E+02 -0.181330E-06 0.100000E-04    0.986318E+00
  79   -0.198884E-04    0.876497E+02  0.226908E-06 0.100000E-04    0.989332E+00
  80   -0.364603E-05    0.844291E+02  0.431846E-07 0.100000E-04    0.983855E+00
  81    0.495702E-05    0.809170E+02 -0.612606E-07 0.100000E-04    0.985926E+00
  82    0.864679E-05    0.789834E+02 -0.109476E-06 0.100000E-04    0.981939E+00
  83   -0.875983E-05    0.787360E+02  0.111256E-06 0.100000E-04    0.999920E+00
  84    0.575367E-05    0.731554E+02 -0.786500E-07 0.100000E-04    0.985322E+00
  85    0.130117E-04    0.711910E+02 -0.182772E-06 0.100000E-04    0.988599E+00
  86   -0.165690E-04    0.697889E+02  0.237416E-06 0.100000E-04    0.987780E+00
  87   -0.602287E-05    0.675023E+02  0.892246E-07 0.100000E-04    0.995396E+00
  88    0.101355E-05    0.637235E+02 -0.159055E-07 0.100000E-04    0.999798E+00
  89    0.142692E-04    0.624240E+02 -0.228585E-06 0.100000E-04    0.987804E+00
  90   -0.633843E-05    0.596592E+02  0.106244E-06 0.100000E-04    0.986159E+00
  91   -0.142649E-05    0.584317E+02  0.244129E-07 0.100000E-04    0.999110E+00
  92    0.133926E-04    0.558426E+02 -0.239829E-06 0.100000E-04    0.984229E+00
  93    0.217906E-04    0.536942E+02 -0.405828E-06 0.100000E-04    0.989201E+00
  94    0.794108E-05    0.523849E+02 -0.151591E-06 0.100000E-04    0.984522E+00
  95   -0.215580E-04    0.502783E+02  0.428773E-06 0.100000E-04    0.990183E+00
  96   -0.594439E-05    0.480492E+02  0.123715E-06 0.100000E-04    0.990681E+00
  97    0.112319E-04    0.438570E+02 -0.256104E-06 0.100000E-04    0.987143E+00
  98   -0.863371E-05    0.396720E+02  0.217627E-06 0.100000E-04    0.989099E+00
  99   -0.114305E-04    0.378545E+02  0.301958E-06 0.100000E-04    0.981177E+00
 100    0.208648E-04    0.360802E+02 -0.578288E-06 0.100000E-04    0.989659E+00
 101   -0.548135E-04    0.344797E+02  0.158973E-05 0.100000E-04    0.987296E+00
 102   -0.236800E-04    0.299896E+02  0.789607E-06 0.100000E-04    0.989695E+00
 103   -0.181942E-04    0.290408E+02  0.626505E-06 0.100000E-04    0.987733E+00
 104   -0.263086E-04    0.286922E+02  0.916926E-06 0.100000E-04    0.989665E+00
 105   -0.763457E-05    0.236939E+02  0.322216E-06 0.100000E-04    0.976443E+00
 106   -0.420765E-05    0.218618E+02  0.192466E-06 0.100000E-04    0.997657E+00
 107    0.526778E-04    0.196546E+02 -0.268018E-05 0.100000E-04    0.986148E+00
 108   -0.711872E-04    0.164519E+02  0.432700E-05 0.100000E-04    0.992669E+00
 109   -0.450552E-04    0.139628E+02  0.322679E-05 0.100000E-04    0.990385E+00
 110    0.154167E-04    0.128260E+02 -0.120199E-05 0.100000E-04    0.967670E+00
 111    0.615971E-04    0.118802E+02 -0.518484E-05 0.100000E-04    0.985368E+00
 112   -0.281517E-04    0.932508E+01  0.301892E-05 0.100000E-04    0.997705E+00
 113   -0.536132E-03    0.753725E+01  0.100000E-04 0.100000E-04    0.502192E+00
 114    0.140285E+00    0.474151E+01  0.400000E-03 0.400000E-03    0.530480E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2956065081E-01

 Beginning of optimization cycle   54.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4009366672
 potential> RMS force:                                               0.0133166043   |gradient|=.1421824257    
 Eigenvalues of the Hessian matrix:
   716.77761    669.73422    622.23378    602.46484    589.53486    563.03042 
   559.84143    477.44473    471.31855    463.94282    441.68072    432.22088 
   420.00789    405.19670    398.53585    388.13815    366.93144    364.44471 
   353.16895    345.42017    324.26553    323.88203    318.99698    315.78580 
   305.41508    287.27298    280.08928    271.87130    265.84671    261.81776 
   257.66159    253.36559    244.75030    239.95261    233.80135    228.36868 
   225.54055    213.05126    211.16710    210.03712    202.82557    198.80723 
   195.20621    191.70339    186.55089    178.85708    170.68078    168.14019 
   165.80953    160.71849    154.00972    151.07477    148.26636    142.34948 
   136.87658    134.51535    131.03687    127.71754    125.56362    124.21977 
   119.43019    118.00876    116.20771    112.93939    110.49258    105.74590 
   102.84308    100.70121     97.21867     95.00415     91.60844     90.36505 
    87.66027     84.42964     80.91587     78.98453     78.73656     73.15268 
    71.19408     69.78064     67.50622     63.71803     62.42145     59.65941 
    58.43472     55.84185     53.69377     52.38292     50.27904     48.04848 
    43.85266     39.67521     37.84669     36.08307     34.48484     29.97982 
    29.03962     28.69271     23.68826     21.86248     19.65159     16.45654 
    13.96031     12.82070     11.87437      9.32705      7.53873      4.74380 
overlap for current and previous eigenvector    109 is        -0.9999930502
overlap for current and previous eigenvector    110 is         0.9999900822
overlap for current and previous eigenvector    111 is         0.9999886532
overlap for current and previous eigenvector    112 is         0.9999996453
overlap for current and previous eigenvector    113 is         0.9999992962
overlap for current and previous eigenvector    114 is        -0.9999991109
J1,K1,R1,R2,RAT=   7   7    0.6903166475E-02     1.992932588        0.9929325881    
FOB,PFOB,DIAG,PSTEP=    0.3012627302E-06    0.3033570263E-06     716.7776078       -0.4232581173E-09
J1,K1,R1,R2,RAT=   8   8   -0.5099434846E-01     2.050933853        0.9490056515    
FOB,PFOB,DIAG,PSTEP=   -0.1946821422E-06   -0.1852358738E-06     669.7342215        0.2765895350E-09
J1,K1,R1,R2,RAT=   9   9   -0.1045621714E-01     2.010368011        0.9895437829    
FOB,PFOB,DIAG,PSTEP=    0.4435674921E-06    0.4389772482E-06     622.2337825       -0.7055171573E-09
J1,K1,R1,R2,RAT=  10  10   -0.5662851733E-02     2.005586988        0.9943371483    
FOB,PFOB,DIAG,PSTEP=    0.1105279066E-05    0.1099055044E-05     602.4648365       -0.1824333420E-08
J1,K1,R1,R2,RAT=  11  11   -0.3192933556E-02     2.003174717        0.9968070664    
FOB,PFOB,DIAG,PSTEP=   -0.8558725447E-06   -0.8531484735E-06     589.5348626        0.1447168434E-08
J1,K1,R1,R2,RAT= 109 109     2.009803649       -0.9441669357E-02    0.9905583306    
FOB,PFOB,DIAG,PSTEP=    0.4548050998E-04   -0.4505519075E-04     13.96031424        0.3226792529E-05
J1,K1,R1,R2,RAT= 110 110   -0.3201404175E-01     2.032840483        0.9679859582    
FOB,PFOB,DIAG,PSTEP=    0.1591003548E-04    0.1541668882E-04     12.82070103       -0.1201987389E-05
J1,K1,R1,R2,RAT= 111 111   -0.1439783267E-01     2.015382664        0.9856021673    
FOB,PFOB,DIAG,PSTEP=    0.6248353230E-04    0.6159710400E-04     11.87437433       -0.5184844762E-05
J1,K1,R1,R2,RAT= 112 112   -0.2010668808E-02     2.001587946        0.9979893312    
FOB,PFOB,DIAG,PSTEP=   -0.2820829950E-04   -0.2815168382E-04     9.327049665        0.3018921981E-05
J1,K1,R1,R2,RAT= 113 113   -0.5130443692         14.73645035        0.4869556308    
FOB,PFOB,DIAG,PSTEP=   -0.5748088059E-03   -0.5361317971E-03     7.538725926        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -148.8604179        0.9994576864        0.5423135631E-03
FOB,PFOB,DIAG,PSTEP=   -0.1421811768        0.1402846842         4.743804047        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00000      0.00000 
    -0.00000     -0.00001      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00001 
     0.00000      0.00001     -0.00001      0.00001     -0.00000      0.00002 
    -0.00002     -0.00000      0.00001     -0.00001     -0.00001      0.00001 
     0.00001     -0.00002     -0.00001      0.00000      0.00001     -0.00001 
     0.00000     -0.00001      0.00002      0.00001     -0.00002     -0.00001 
    -0.00001      0.00001     -0.00001      0.00002      0.00006     -0.00002 
    -0.00002      0.00003      0.00001     -0.00000      0.00005     -0.00007 
     0.00005      0.00002      0.00006     -0.00003     -0.00057     -0.14218 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4344581850
 Log product of positive Hessian eigenvalues =          520.4941266267
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7438040467
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000038
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000095
 Unscaled step for mode   15=       -0.0000000030
 Unscaled step for mode   16=       -0.0000000013
 Unscaled step for mode   17=       -0.0000000012
 Unscaled step for mode   18=       -0.0000000053
 Unscaled step for mode   19=       -0.0000000101
 Unscaled step for mode   20=       -0.0000000152
 Unscaled step for mode   21=       -0.0000000073
 Unscaled step for mode   22=        0.0000000022
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000045
 Unscaled step for mode   25=        0.0000000144
 Unscaled step for mode   26=       -0.0000000209
 Unscaled step for mode   27=       -0.0000000155
 Unscaled step for mode   28=       -0.0000000114
 Unscaled step for mode   29=        0.0000000114
 Unscaled step for mode   30=        0.0000000098
 Unscaled step for mode   31=        0.0000000024
 Unscaled step for mode   32=       -0.0000000011
 Unscaled step for mode   33=       -0.0000000092
 Unscaled step for mode   34=       -0.0000000041
 Unscaled step for mode   35=       -0.0000000281
 Unscaled step for mode   36=       -0.0000000034
 Unscaled step for mode   37=        0.0000000120
 Unscaled step for mode   38=        0.0000000076
 Unscaled step for mode   39=        0.0000000219
 Unscaled step for mode   40=       -0.0000000059
 Unscaled step for mode   41=       -0.0000000090
 Unscaled step for mode   42=        0.0000000046
 Unscaled step for mode   43=       -0.0000000044
 Unscaled step for mode   44=        0.0000000008
 Unscaled step for mode   45=       -0.0000000121
 Unscaled step for mode   46=        0.0000000094
 Unscaled step for mode   47=        0.0000000363
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000186
 Unscaled step for mode   50=        0.0000000171
 Unscaled step for mode   51=        0.0000000160
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000200
 Unscaled step for mode   54=       -0.0000000056
 Unscaled step for mode   55=       -0.0000000384
 Unscaled step for mode   56=        0.0000000148
 Unscaled step for mode   57=        0.0000000070
 Unscaled step for mode   58=       -0.0000000335
 Unscaled step for mode   59=       -0.0000000205
 Unscaled step for mode   60=       -0.0000000345
 Unscaled step for mode   61=        0.0000000275
 Unscaled step for mode   62=        0.0000000926
 Unscaled step for mode   63=       -0.0000000596
 Unscaled step for mode   64=       -0.0000000095
 Unscaled step for mode   65=        0.0000000126
 Unscaled step for mode   66=        0.0000000657
 Unscaled step for mode   67=       -0.0000000058
 Unscaled step for mode   68=       -0.0000000176
 Unscaled step for mode   69=       -0.0000000077
 Unscaled step for mode   70=        0.0000000246
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=       -0.0000000899
 Unscaled step for mode   73=       -0.0000000237
 Unscaled step for mode   74=       -0.0000001200
 Unscaled step for mode   75=        0.0000000630
 Unscaled step for mode   76=       -0.0000000970
 Unscaled step for mode   77=        0.0000000009
 Unscaled step for mode   78=       -0.0000001838
 Unscaled step for mode   79=        0.0000002293
 Unscaled step for mode   80=        0.0000000439
 Unscaled step for mode   81=       -0.0000000621
 Unscaled step for mode   82=        0.0000001114
 Unscaled step for mode   83=        0.0000001112
 Unscaled step for mode   84=       -0.0000000798
 Unscaled step for mode   85=       -0.0000001848
 Unscaled step for mode   86=        0.0000002403
 Unscaled step for mode   87=        0.0000000896
 Unscaled step for mode   88=       -0.0000000159
 Unscaled step for mode   89=       -0.0000002313
 Unscaled step for mode   90=        0.0000001077
 Unscaled step for mode   91=       -0.0000000244
 Unscaled step for mode   92=        0.0000002436
 Unscaled step for mode   93=       -0.0000004101
 Unscaled step for mode   94=       -0.0000001539
 Unscaled step for mode   95=        0.0000004329
 Unscaled step for mode   96=        0.0000001249
 Unscaled step for mode   97=        0.0000002594
 Unscaled step for mode   98=       -0.0000002200
 Unscaled step for mode   99=        0.0000003077
 Unscaled step for mode  100=       -0.0000005841
 Unscaled step for mode  101=       -0.0000016094
 Unscaled step for mode  102=        0.0000007979
 Unscaled step for mode  103=        0.0000006341
 Unscaled step for mode  104=       -0.0000009262
 Unscaled step for mode  105=       -0.0000003298
 Unscaled step for mode  106=        0.0000001929
 Unscaled step for mode  107=       -0.0000027172
 Unscaled step for mode  108=        0.0000043566
 Unscaled step for mode  109=       -0.0000032578
 Unscaled step for mode  110=       -0.0000012410
 Unscaled step for mode  111=       -0.0000052620
 Unscaled step for mode  112=        0.0000030244
 Unscaled step for mode  113=        0.0000762475
 Unscaled step for mode  114=       -0.0299450990
 Largest modulus ratio of non-zero e/values=           151.0976425    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.328513E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.474664E-15    0.100778E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.601949E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.413298E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.650918E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.414301E-15    0.973456E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.301263E-06    0.716778E+03 -0.420302E-09 0.100000E-04    0.992933E+00
   8   -0.194682E-06    0.669734E+03  0.290686E-09 0.100000E-04    0.949006E+00
   9    0.443567E-06    0.622234E+03 -0.712863E-09 0.100000E-04    0.989544E+00
  10    0.110528E-05    0.602465E+03 -0.183460E-08 0.100000E-04    0.994337E+00
  11   -0.855873E-06    0.589535E+03  0.145178E-08 0.100000E-04    0.996807E+00
  12    0.215516E-05    0.563030E+03 -0.382779E-08 0.100000E-04    0.994047E+00
  13    0.207974E-05    0.559841E+03 -0.371488E-08 0.100000E-04    0.998793E+00
  14   -0.452249E-05    0.477445E+03  0.947227E-08 0.100000E-04    0.994409E+00
  15    0.142191E-05    0.471319E+03 -0.301687E-08 0.100000E-04    0.996000E+00
  16    0.621086E-06    0.463943E+03 -0.133871E-08 0.100000E-04    0.983636E+00
  17    0.522383E-06    0.441681E+03 -0.118272E-08 0.100000E-04    0.980310E+00
  18    0.230130E-05    0.432221E+03 -0.532435E-08 0.100000E-04    0.992434E+00
  19    0.424426E-05    0.420008E+03 -0.101052E-07 0.100000E-04    0.990141E+00
  20    0.615154E-05    0.405197E+03 -0.151816E-07 0.100000E-04    0.993652E+00
  21    0.290599E-05    0.398536E+03 -0.729166E-08 0.100000E-04    0.989113E+00
  22   -0.869853E-06    0.388138E+03  0.224109E-08 0.100000E-04    0.992735E+00
  23   -0.192579E-05    0.366931E+03  0.524836E-08 0.100000E-04    0.997676E+00
  24    0.164455E-05    0.364445E+03 -0.451248E-08 0.100000E-04    0.994802E+00
  25   -0.509036E-05    0.353169E+03  0.144134E-07 0.100000E-04    0.989861E+00
  26    0.722492E-05    0.345420E+03 -0.209163E-07 0.100000E-04    0.988533E+00
  27    0.502759E-05    0.324266E+03 -0.155046E-07 0.100000E-04    0.986000E+00
  28    0.369357E-05    0.323882E+03 -0.114041E-07 0.100000E-04    0.998639E+00
  29   -0.363360E-05    0.318997E+03  0.113907E-07 0.100000E-04    0.983125E+00
  30   -0.308611E-05    0.315786E+03  0.977281E-08 0.100000E-04    0.990034E+00
  31   -0.722851E-06    0.305415E+03  0.236678E-08 0.100000E-04    0.975443E+00
  32    0.329135E-06    0.287273E+03 -0.114572E-08 0.100000E-04    0.980285E+00
  33    0.257076E-05    0.280089E+03 -0.917835E-08 0.100000E-04    0.989113E+00
  34    0.112710E-05    0.271871E+03 -0.414572E-08 0.100000E-04    0.989626E+00
  35    0.747641E-05    0.265847E+03 -0.281230E-07 0.100000E-04    0.988769E+00
  36    0.895422E-06    0.261818E+03 -0.342002E-08 0.100000E-04    0.982397E+00
  37   -0.308341E-05    0.257662E+03  0.119669E-07 0.100000E-04    0.988005E+00
  38   -0.191770E-05    0.253366E+03  0.756890E-08 0.100000E-04    0.990909E+00
  39   -0.536778E-05    0.244750E+03  0.219316E-07 0.100000E-04    0.987997E+00
  40    0.140644E-05    0.239953E+03 -0.586131E-08 0.100000E-04    0.973314E+00
  41    0.210466E-05    0.233801E+03 -0.900193E-08 0.100000E-04    0.979208E+00
  42   -0.106063E-05    0.228369E+03  0.464438E-08 0.100000E-04    0.981195E+00
  43    0.986153E-06    0.225541E+03 -0.437240E-08 0.100000E-04    0.986404E+00
  44   -0.161835E-06    0.213051E+03  0.759604E-09 0.100000E-04    0.832256E+00
  45    0.255522E-05    0.211167E+03 -0.121004E-07 0.100000E-04    0.988075E+00
  46   -0.198127E-05    0.210037E+03  0.943296E-08 0.100000E-04    0.978669E+00
  47   -0.735922E-05    0.202826E+03  0.362835E-07 0.100000E-04    0.987157E+00
  48   -0.120804E-05    0.198807E+03  0.607645E-08 0.100000E-04    0.999158E+00
  49    0.363098E-05    0.195206E+03 -0.186007E-07 0.100000E-04    0.985384E+00
  50   -0.328170E-05    0.191703E+03  0.171187E-07 0.100000E-04    0.988765E+00
  51   -0.299283E-05    0.186551E+03  0.160430E-07 0.100000E-04    0.988298E+00
  52    0.441098E-06    0.178857E+03 -0.246620E-08 0.100000E-04    0.995937E+00
  53   -0.340762E-05    0.170681E+03  0.199649E-07 0.100000E-04    0.989250E+00
  54    0.942675E-06    0.168140E+03 -0.560648E-08 0.100000E-04    0.976368E+00
  55    0.636198E-05    0.165810E+03 -0.383692E-07 0.100000E-04    0.988808E+00
  56   -0.238656E-05    0.160718E+03  0.148493E-07 0.100000E-04    0.989288E+00
  57   -0.107217E-05    0.154010E+03  0.696172E-08 0.100000E-04    0.991116E+00
  58    0.505676E-05    0.151075E+03 -0.334719E-07 0.100000E-04    0.989446E+00
  59    0.304270E-05    0.148266E+03 -0.205219E-07 0.100000E-04    0.986934E+00
  60    0.491062E-05    0.142349E+03 -0.344969E-07 0.100000E-04    0.987172E+00
  61   -0.377061E-05    0.136877E+03  0.275475E-07 0.100000E-04    0.988002E+00
  62   -0.124499E-04    0.134515E+03  0.925536E-07 0.100000E-04    0.989430E+00
  63    0.780598E-05    0.131037E+03 -0.595708E-07 0.100000E-04    0.988975E+00
  64    0.121737E-05    0.127718E+03 -0.953177E-08 0.100000E-04    0.983879E+00
  65   -0.158730E-05    0.125564E+03  0.126414E-07 0.100000E-04    0.995436E+00
  66   -0.815607E-05    0.124220E+03  0.656584E-07 0.100000E-04    0.988189E+00
  67    0.695136E-06    0.119430E+03 -0.582044E-08 0.100000E-04    0.992680E+00
  68    0.208244E-05    0.118009E+03 -0.176465E-07 0.100000E-04    0.986998E+00
  69    0.890700E-06    0.116208E+03 -0.766472E-08 0.100000E-04    0.994280E+00
  70   -0.277705E-05    0.112939E+03  0.245889E-07 0.100000E-04    0.979276E+00
  71   -0.239726E-06    0.110493E+03  0.216961E-08 0.100000E-04    0.993406E+00
  72    0.951059E-05    0.105746E+03 -0.899382E-07 0.100000E-04    0.987035E+00
  73    0.244143E-05    0.102843E+03 -0.237394E-07 0.100000E-04    0.977312E+00
  74    0.120849E-04    0.100701E+03 -0.120007E-06 0.100000E-04    0.988109E+00
  75   -0.612410E-05    0.972187E+02  0.629930E-07 0.100000E-04    0.983734E+00
  76    0.921948E-05    0.950041E+02 -0.970429E-07 0.100000E-04    0.986926E+00
  77   -0.830706E-07    0.916084E+02  0.906801E-09 0.100000E-04    0.968183E+00
  78    0.166068E-04    0.903650E+02 -0.183775E-06 0.100000E-04    0.986465E+00
  79   -0.200972E-04    0.876603E+02  0.229263E-06 0.100000E-04    0.989501E+00
  80   -0.370430E-05    0.844296E+02  0.438745E-07 0.100000E-04    0.984018E+00
  81    0.502592E-05    0.809159E+02 -0.621129E-07 0.100000E-04    0.986100E+00
  82   -0.880002E-05    0.789845E+02  0.111414E-06 0.100000E-04    0.982279E+00
  83   -0.875783E-05    0.787366E+02  0.111230E-06 0.100000E-04    0.999758E+00
  84    0.583730E-05    0.731527E+02 -0.797961E-07 0.100000E-04    0.985465E+00
  85    0.131583E-04    0.711941E+02 -0.184823E-06 0.100000E-04    0.988736E+00
  86   -0.167686E-04    0.697806E+02  0.240304E-06 0.100000E-04    0.987951E+00
  87   -0.604916E-05    0.675062E+02  0.896089E-07 0.100000E-04    0.995635E+00
  88    0.101257E-05    0.637180E+02 -0.158913E-07 0.100000E-04    0.999025E+00
  89    0.144411E-04    0.624214E+02 -0.231348E-06 0.100000E-04    0.987952E+00
  90   -0.642508E-05    0.596594E+02  0.107696E-06 0.100000E-04    0.986329E+00
  91    0.142496E-05    0.584347E+02 -0.243855E-07 0.100000E-04    0.998822E+00
  92   -0.136015E-04    0.558418E+02  0.243572E-06 0.100000E-04    0.984404E+00
  93    0.220221E-04    0.536938E+02 -0.410142E-06 0.100000E-04    0.989378E+00
  94    0.806265E-05    0.523829E+02 -0.153918E-06 0.100000E-04    0.984690E+00
  95   -0.217659E-04    0.502790E+02  0.432903E-06 0.100000E-04    0.990354E+00
  96   -0.599888E-05    0.480485E+02  0.124851E-06 0.100000E-04    0.990834E+00
  97   -0.113744E-04    0.438527E+02  0.259379E-06 0.100000E-04    0.987312E+00
  98    0.872659E-05    0.396752E+02 -0.219951E-06 0.100000E-04    0.989244E+00
  99   -0.116437E-04    0.378467E+02  0.307654E-06 0.100000E-04    0.981344E+00
 100    0.210771E-04    0.360831E+02 -0.584128E-06 0.100000E-04    0.989822E+00
 101    0.554994E-04    0.344848E+02 -0.160939E-05 0.100000E-04    0.987488E+00
 102   -0.239206E-04    0.299798E+02  0.797891E-06 0.100000E-04    0.989835E+00
 103   -0.184142E-04    0.290396E+02  0.634107E-06 0.100000E-04    0.987906E+00
 104    0.265758E-04    0.286927E+02 -0.926222E-06 0.100000E-04    0.989844E+00
 105    0.781153E-05    0.236883E+02 -0.329764E-06 0.100000E-04    0.976815E+00
 106   -0.421637E-05    0.218625E+02  0.192859E-06 0.100000E-04    0.997927E+00
 107    0.533969E-04    0.196516E+02 -0.271718E-05 0.100000E-04    0.986347E+00
 108   -0.716945E-04    0.164565E+02  0.435659E-05 0.100000E-04    0.992876E+00
 109    0.454805E-04    0.139603E+02 -0.325784E-05 0.100000E-04    0.990558E+00
 110    0.159100E-04    0.128207E+02 -0.124096E-05 0.100000E-04    0.967986E+00
 111    0.624835E-04    0.118744E+02 -0.526205E-05 0.100000E-04    0.985602E+00
 112   -0.282083E-04    0.932705E+01  0.302435E-05 0.100000E-04    0.997989E+00
 113   -0.574809E-03    0.753873E+01  0.100000E-04 0.100000E-04    0.486956E+00
 114   -0.142181E+00    0.474380E+01 -0.400000E-03 0.400000E-03    0.542314E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2994509897E-01

 Beginning of optimization cycle   55.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4008794212
 potential> RMS force:                                               0.0134943234   |gradient|=.1440799471    
 Eigenvalues of the Hessian matrix:
   716.83649    669.75443    622.26111    602.48754    589.54013    563.05411 
   559.87886    477.45836    471.29677    463.93008    441.67652    432.20943 
   420.01531    405.20714    398.53249    388.14404    366.93115    364.43404 
   353.15778    345.37954    324.23431    323.88654    318.99254    315.80656 
   305.41436    287.27362    280.08659    271.86346    265.84427    261.82322 
   257.66066    253.36553    244.73424    239.94258    233.80989    228.37147 
   225.52238    213.04292    211.16326    210.03747    202.82697    198.80196 
   195.20929    191.70134    186.54929    178.84229    170.68008    168.14076 
   165.80817    160.71659    154.00261    151.07427    148.27328    142.35454 
   136.87739    134.51910    131.03654    127.71696    125.56697    124.22808 
   119.42966    118.00716    116.21185    112.93339    110.48703    105.74193 
   102.84222    100.69712     97.21947     95.00495     91.60168     90.36971 
    87.67087     84.43017     80.91478     78.98576     78.73705     73.14994 
    71.19720     69.77237     67.51011     63.71264     62.41888     59.65958 
    58.43774     55.84110     53.69331     52.38097     50.27980     48.04779 
    43.84831     39.67844     37.83890     36.08590     34.49002     29.97003 
    29.03842     28.69323     23.68258     21.86317     19.64867     16.46116 
    13.95781     12.81541     11.86846      9.32902      7.54019      4.74606 
overlap for current and previous eigenvector    109 is         0.9999931196
overlap for current and previous eigenvector    110 is         0.9999900250
overlap for current and previous eigenvector    111 is         0.9999885284
overlap for current and previous eigenvector    112 is         0.9999996450
overlap for current and previous eigenvector    113 is         0.9999992969
overlap for current and previous eigenvector    114 is         0.9999991151
J1,K1,R1,R2,RAT=   7   7    0.7251966364E-02     1.992583757        0.9925837573    
FOB,PFOB,DIAG,PSTEP=    0.2990778036E-06    0.3012627302E-06     716.8364874       -0.4203015370E-09
J1,K1,R1,R2,RAT=   8   8   -0.4894774776E-01     2.048887400        0.9510522522    
FOB,PFOB,DIAG,PSTEP=   -0.2042116821E-06   -0.1946821422E-06     669.7544306        0.2906856719E-09
J1,K1,R1,R2,RAT=   9   9   -0.1030621963E-01     2.010218383        0.9896937804    
FOB,PFOB,DIAG,PSTEP=    0.4481391968E-06    0.4435674921E-06     622.2611112       -0.7128630823E-09
J1,K1,R1,R2,RAT=  10  10   -0.5591413959E-02     2.005516053        0.9944085860    
FOB,PFOB,DIAG,PSTEP=    0.1111459372E-05    0.1105279066E-05     602.4875387       -0.1834595149E-08
J1,K1,R1,R2,RAT=  11  11   -0.3144609736E-02     2.003126753        0.9968553903    
FOB,PFOB,DIAG,PSTEP=   -0.8585639538E-06   -0.8558725447E-06     589.5401262        0.1451775966E-08
J1,K1,R1,R2,RAT= 109 109   -0.9272575200E-02     2.009631747        0.9907274248    
FOB,PFOB,DIAG,PSTEP=    0.4590215571E-04    0.4548050998E-04     13.95780761       -0.3257842854E-05
J1,K1,R1,R2,RAT= 110 110   -0.3169745971E-01     2.032522466        0.9683025403    
FOB,PFOB,DIAG,PSTEP=    0.1641413525E-04    0.1591003548E-04     12.81541464       -0.1240964549E-05
J1,K1,R1,R2,RAT= 111 111   -0.1416802291E-01     2.015164777        0.9858319771    
FOB,PFOB,DIAG,PSTEP=    0.6336835944E-04    0.6248353230E-04     11.86845936       -0.5262048389E-05
J1,K1,R1,R2,RAT= 112 112   -0.1729529828E-02     2.001307119        0.9982704702    
FOB,PFOB,DIAG,PSTEP=   -0.2825709690E-04   -0.2820829950E-04     9.329020004        0.3024353950E-05
J1,K1,R1,R2,RAT= 113 113   -0.5281447711         15.77467958        0.4718552289    
FOB,PFOB,DIAG,PSTEP=   -0.6146319223E-03   -0.5748088059E-03     7.540189468        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9994454781        -150.7880630        0.5545218957E-03
FOB,PFOB,DIAG,PSTEP=   -0.1440785484       -0.1421811768         4.746060789       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00000     -0.00001      0.00001      0.00000      0.00000      0.00001 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00001 
     0.00000     -0.00001      0.00001     -0.00001     -0.00000      0.00002 
    -0.00002     -0.00000      0.00001      0.00001      0.00001     -0.00001 
     0.00001     -0.00002     -0.00001     -0.00000      0.00001     -0.00001 
     0.00000     -0.00001      0.00002      0.00001     -0.00002     -0.00001 
    -0.00001      0.00001     -0.00001      0.00002      0.00006     -0.00002 
    -0.00002      0.00003      0.00001     -0.00000      0.00005      0.00007 
     0.00005      0.00002      0.00006     -0.00003     -0.00061     -0.14408 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4345340097
 Log product of positive Hessian eigenvalues =          520.4931428997
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7460607892
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000018
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000039
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000095
 Unscaled step for mode   15=       -0.0000000030
 Unscaled step for mode   16=       -0.0000000014
 Unscaled step for mode   17=       -0.0000000012
 Unscaled step for mode   18=       -0.0000000054
 Unscaled step for mode   19=       -0.0000000102
 Unscaled step for mode   20=       -0.0000000153
 Unscaled step for mode   21=       -0.0000000074
 Unscaled step for mode   22=        0.0000000022
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000045
 Unscaled step for mode   25=        0.0000000146
 Unscaled step for mode   26=       -0.0000000212
 Unscaled step for mode   27=       -0.0000000157
 Unscaled step for mode   28=       -0.0000000114
 Unscaled step for mode   29=        0.0000000116
 Unscaled step for mode   30=        0.0000000099
 Unscaled step for mode   31=        0.0000000024
 Unscaled step for mode   32=       -0.0000000011
 Unscaled step for mode   33=       -0.0000000093
 Unscaled step for mode   34=       -0.0000000042
 Unscaled step for mode   35=       -0.0000000284
 Unscaled step for mode   36=       -0.0000000035
 Unscaled step for mode   37=        0.0000000121
 Unscaled step for mode   38=        0.0000000076
 Unscaled step for mode   39=        0.0000000222
 Unscaled step for mode   40=       -0.0000000060
 Unscaled step for mode   41=       -0.0000000092
 Unscaled step for mode   42=        0.0000000047
 Unscaled step for mode   43=       -0.0000000044
 Unscaled step for mode   44=        0.0000000009
 Unscaled step for mode   45=       -0.0000000122
 Unscaled step for mode   46=        0.0000000096
 Unscaled step for mode   47=        0.0000000367
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000189
 Unscaled step for mode   50=        0.0000000173
 Unscaled step for mode   51=        0.0000000162
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000202
 Unscaled step for mode   54=       -0.0000000057
 Unscaled step for mode   55=       -0.0000000388
 Unscaled step for mode   56=        0.0000000150
 Unscaled step for mode   57=       -0.0000000070
 Unscaled step for mode   58=       -0.0000000338
 Unscaled step for mode   59=       -0.0000000208
 Unscaled step for mode   60=       -0.0000000349
 Unscaled step for mode   61=        0.0000000279
 Unscaled step for mode   62=        0.0000000935
 Unscaled step for mode   63=       -0.0000000602
 Unscaled step for mode   64=       -0.0000000097
 Unscaled step for mode   65=       -0.0000000127
 Unscaled step for mode   66=       -0.0000000664
 Unscaled step for mode   67=       -0.0000000059
 Unscaled step for mode   68=       -0.0000000179
 Unscaled step for mode   69=       -0.0000000076
 Unscaled step for mode   70=        0.0000000251
 Unscaled step for mode   71=        0.0000000022
 Unscaled step for mode   72=       -0.0000000911
 Unscaled step for mode   73=       -0.0000000243
 Unscaled step for mode   74=        0.0000001214
 Unscaled step for mode   75=       -0.0000000640
 Unscaled step for mode   76=        0.0000000983
 Unscaled step for mode   77=        0.0000000009
 Unscaled step for mode   78=       -0.0000001862
 Unscaled step for mode   79=        0.0000002316
 Unscaled step for mode   80=        0.0000000446
 Unscaled step for mode   81=       -0.0000000630
 Unscaled step for mode   82=       -0.0000001133
 Unscaled step for mode   83=       -0.0000001112
 Unscaled step for mode   84=        0.0000000809
 Unscaled step for mode   85=       -0.0000001869
 Unscaled step for mode   86=        0.0000002432
 Unscaled step for mode   87=        0.0000000900
 Unscaled step for mode   88=        0.0000000159
 Unscaled step for mode   89=       -0.0000002341
 Unscaled step for mode   90=        0.0000001092
 Unscaled step for mode   91=       -0.0000000244
 Unscaled step for mode   92=        0.0000002473
 Unscaled step for mode   93=       -0.0000004144
 Unscaled step for mode   94=       -0.0000001563
 Unscaled step for mode   95=        0.0000004370
 Unscaled step for mode   96=        0.0000001260
 Unscaled step for mode   97=        0.0000002627
 Unscaled step for mode   98=       -0.0000002223
 Unscaled step for mode   99=        0.0000003134
 Unscaled step for mode  100=       -0.0000005899
 Unscaled step for mode  101=       -0.0000016290
 Unscaled step for mode  102=        0.0000008062
 Unscaled step for mode  103=        0.0000006417
 Unscaled step for mode  104=       -0.0000009354
 Unscaled step for mode  105=       -0.0000003374
 Unscaled step for mode  106=        0.0000001932
 Unscaled step for mode  107=       -0.0000027541
 Unscaled step for mode  108=       -0.0000043855
 Unscaled step for mode  109=       -0.0000032886
 Unscaled step for mode  110=       -0.0000012808
 Unscaled step for mode  111=       -0.0000053392
 Unscaled step for mode  112=        0.0000030289
 Unscaled step for mode  113=        0.0000815141
 Unscaled step for mode  114=       -0.0303295763
 Largest modulus ratio of non-zero e/values=           151.0382018    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.583301E-16    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.140296E-15    0.100778E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.258907E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.135171E-18    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.849581E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.361541E-15    0.973457E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.299078E-06    0.716836E+03 -0.417219E-09 0.100000E-04    0.992584E+00
   8   -0.204212E-06    0.669754E+03  0.304905E-09 0.100000E-04    0.951052E+00
   9    0.448139E-06    0.622261E+03 -0.720179E-09 0.100000E-04    0.989694E+00
  10    0.111146E-05    0.602488E+03 -0.184478E-08 0.100000E-04    0.994409E+00
  11   -0.858564E-06    0.589540E+03  0.145633E-08 0.100000E-04    0.996855E+00
  12    0.216787E-05    0.563054E+03 -0.385020E-08 0.100000E-04    0.994103E+00
  13    0.208204E-05    0.559879E+03 -0.371873E-08 0.100000E-04    0.998898E+00
  14   -0.454740E-05    0.477458E+03  0.952418E-08 0.100000E-04    0.994492E+00
  15    0.142752E-05    0.471297E+03 -0.302891E-08 0.100000E-04    0.996055E+00
  16    0.631183E-06    0.463930E+03 -0.136051E-08 0.100000E-04    0.983742E+00
  17    0.532554E-06    0.441677E+03 -0.120576E-08 0.100000E-04    0.980530E+00
  18    0.231854E-05    0.432209E+03 -0.536440E-08 0.100000E-04    0.992505E+00
  19    0.428576E-05    0.420015E+03 -0.102038E-07 0.100000E-04    0.990221E+00
  20    0.619010E-05    0.405207E+03 -0.152764E-07 0.100000E-04    0.993733E+00
  21    0.293730E-05    0.398532E+03 -0.737028E-08 0.100000E-04    0.989227E+00
  22   -0.863279E-06    0.388144E+03  0.222412E-08 0.100000E-04    0.992412E+00
  23   -0.193008E-05    0.366931E+03  0.526006E-08 0.100000E-04    0.997772E+00
  24    0.165292E-05    0.364434E+03 -0.453559E-08 0.100000E-04    0.994908E+00
  25   -0.514154E-05    0.353158E+03  0.145588E-07 0.100000E-04    0.989946E+00
  26    0.730713E-05    0.345380E+03 -0.211568E-07 0.100000E-04    0.988620E+00
  27    0.510278E-05    0.324234E+03 -0.157380E-07 0.100000E-04    0.985043E+00
  28    0.367950E-05    0.323887E+03 -0.113605E-07 0.100000E-04    0.996162E+00
  29   -0.369445E-05    0.318993E+03  0.115816E-07 0.100000E-04    0.983254E+00
  30   -0.311687E-05    0.315807E+03  0.986955E-08 0.100000E-04    0.990035E+00
  31   -0.740375E-06    0.305414E+03  0.242417E-08 0.100000E-04    0.975756E+00
  32    0.322338E-06    0.287274E+03 -0.112206E-08 0.100000E-04    0.979345E+00
  33    0.259850E-05    0.280087E+03 -0.927748E-08 0.100000E-04    0.989209E+00
  34    0.113876E-05    0.271863E+03 -0.418870E-08 0.100000E-04    0.989661E+00
  35    0.755958E-05    0.265844E+03 -0.284361E-07 0.100000E-04    0.988876E+00
  36    0.911145E-06    0.261823E+03 -0.348000E-08 0.100000E-04    0.982441E+00
  37   -0.312010E-05    0.257661E+03  0.121093E-07 0.100000E-04    0.988100E+00
  38   -0.193495E-05    0.253366E+03  0.763698E-08 0.100000E-04    0.991005E+00
  39   -0.543157E-05    0.244734E+03  0.221937E-07 0.100000E-04    0.988115E+00
  40    0.144351E-05    0.239943E+03 -0.601608E-08 0.100000E-04    0.973636E+00
  41    0.214802E-05    0.233810E+03 -0.918702E-08 0.100000E-04    0.979403E+00
  42   -0.108037E-05    0.228371E+03  0.473077E-08 0.100000E-04    0.981388E+00
  43    0.999500E-06    0.225522E+03 -0.443193E-08 0.100000E-04    0.986465E+00
  44   -0.185651E-06    0.213043E+03  0.871423E-09 0.100000E-04    0.852833E+00
  45    0.258492E-05    0.211163E+03 -0.122414E-07 0.100000E-04    0.988373E+00
  46   -0.202355E-05    0.210037E+03  0.963422E-08 0.100000E-04    0.978663E+00
  47   -0.745285E-05    0.202827E+03  0.367448E-07 0.100000E-04    0.987278E+00
  48   -0.120879E-05    0.198802E+03  0.608037E-08 0.100000E-04    0.999381E+00
  49    0.368359E-05    0.195209E+03 -0.188699E-07 0.100000E-04    0.985512E+00
  50   -0.331818E-05    0.191701E+03  0.173091E-07 0.100000E-04    0.988885E+00
  51   -0.302751E-05    0.186549E+03  0.162290E-07 0.100000E-04    0.988412E+00
  52    0.442810E-06    0.178842E+03 -0.247598E-08 0.100000E-04    0.996118E+00
  53   -0.344381E-05    0.170680E+03  0.201770E-07 0.100000E-04    0.989380E+00
  54    0.964719E-06    0.168141E+03 -0.573757E-08 0.100000E-04    0.976615E+00
  55    0.643240E-05    0.165808E+03 -0.387942E-07 0.100000E-04    0.988931E+00
  56   -0.241183E-05    0.160717E+03  0.150067E-07 0.100000E-04    0.989410E+00
  57    0.108162E-05    0.154003E+03 -0.702338E-08 0.100000E-04    0.991190E+00
  58    0.510958E-05    0.151074E+03 -0.338216E-07 0.100000E-04    0.989554E+00
  59    0.308199E-05    0.148273E+03 -0.207858E-07 0.100000E-04    0.987090E+00
  60    0.497291E-05    0.142355E+03 -0.349333E-07 0.100000E-04    0.987314E+00
  61   -0.381543E-05    0.136877E+03  0.278748E-07 0.100000E-04    0.988113E+00
  62   -0.125799E-04    0.134519E+03  0.935173E-07 0.100000E-04    0.989559E+00
  63    0.789105E-05    0.131037E+03 -0.602203E-07 0.100000E-04    0.989101E+00
  64    0.123690E-05    0.127717E+03 -0.968469E-08 0.100000E-04    0.983961E+00
  65    0.159413E-05    0.125567E+03 -0.126955E-07 0.100000E-04    0.995695E+00
  66    0.825137E-05    0.124228E+03 -0.664212E-07 0.100000E-04    0.988316E+00
  67    0.700176E-06    0.119430E+03 -0.586266E-08 0.100000E-04    0.992750E+00
  68    0.210924E-05    0.118007E+03 -0.178739E-07 0.100000E-04    0.987126E+00
  69    0.885335E-06    0.116212E+03 -0.761828E-08 0.100000E-04    0.993905E+00
  70   -0.283388E-05    0.112933E+03  0.250934E-07 0.100000E-04    0.979536E+00
  71   -0.237983E-06    0.110487E+03  0.215395E-08 0.100000E-04    0.992727E+00
  72    0.963267E-05    0.105742E+03 -0.910960E-07 0.100000E-04    0.987164E+00
  73    0.249621E-05    0.102842E+03 -0.242722E-07 0.100000E-04    0.977564E+00
  74   -0.122268E-04    0.100697E+03  0.121421E-06 0.100000E-04    0.988258E+00
  75    0.622286E-05    0.972195E+02 -0.640084E-07 0.100000E-04    0.983874E+00
  76   -0.933869E-05    0.950049E+02  0.982969E-07 0.100000E-04    0.987070E+00
  77   -0.856819E-07    0.916017E+02  0.935375E-09 0.100000E-04    0.968563E+00
  78    0.168292E-04    0.903697E+02 -0.186226E-06 0.100000E-04    0.986609E+00
  79   -0.203049E-04    0.876709E+02  0.231604E-06 0.100000E-04    0.989668E+00
  80   -0.376291E-05    0.844302E+02  0.445684E-07 0.100000E-04    0.984178E+00
  81    0.509492E-05    0.809148E+02 -0.629665E-07 0.100000E-04    0.986271E+00
  82    0.895292E-05    0.789858E+02 -0.113348E-06 0.100000E-04    0.982626E+00
  83    0.875326E-05    0.787371E+02 -0.111171E-06 0.100000E-04    0.999465E+00
  84   -0.592132E-05    0.731499E+02  0.809478E-07 0.100000E-04    0.985605E+00
  85    0.133048E-04    0.711972E+02 -0.186872E-06 0.100000E-04    0.988869E+00
  86   -0.169678E-04    0.697724E+02  0.243188E-06 0.100000E-04    0.988117E+00
  87   -0.607412E-05    0.675101E+02  0.899735E-07 0.100000E-04    0.995873E+00
  88   -0.101079E-05    0.637126E+02  0.158648E-07 0.100000E-04    0.998243E+00
  89    0.146130E-04    0.624189E+02 -0.234112E-06 0.100000E-04    0.988096E+00
  90   -0.651186E-05    0.596596E+02  0.109150E-06 0.100000E-04    0.986494E+00
  91    0.142302E-05    0.584377E+02 -0.243510E-07 0.100000E-04    0.998536E+00
  92   -0.138113E-04    0.558411E+02  0.247333E-06 0.100000E-04    0.984575E+00
  93    0.222522E-04    0.536933E+02 -0.414431E-06 0.100000E-04    0.989551E+00
  94    0.818477E-05    0.523810E+02 -0.156255E-06 0.100000E-04    0.984853E+00
  95   -0.219723E-04    0.502798E+02  0.437000E-06 0.100000E-04    0.990520E+00
  96   -0.605297E-05    0.480478E+02  0.125978E-06 0.100000E-04    0.990983E+00
  97   -0.115169E-04    0.438483E+02  0.262653E-06 0.100000E-04    0.987476E+00
  98    0.881923E-05    0.396784E+02 -0.222268E-06 0.100000E-04    0.989384E+00
  99   -0.118590E-04    0.378389E+02  0.313406E-06 0.100000E-04    0.981507E+00
 100    0.212883E-04    0.360859E+02 -0.589935E-06 0.100000E-04    0.989982E+00
 101    0.561835E-04    0.344900E+02 -0.162898E-05 0.100000E-04    0.987676E+00
 102   -0.241604E-04    0.299700E+02  0.806153E-06 0.100000E-04    0.989971E+00
 103   -0.186338E-04    0.290384E+02  0.641695E-06 0.100000E-04    0.988075E+00
 104    0.268411E-04    0.286932E+02 -0.935449E-06 0.100000E-04    0.990019E+00
 105    0.798977E-05    0.236826E+02 -0.337369E-06 0.100000E-04    0.977177E+00
 106   -0.422399E-05    0.218632E+02  0.193201E-06 0.100000E-04    0.998194E+00
 107    0.541154E-04    0.196487E+02 -0.275415E-05 0.100000E-04    0.986542E+00
 108    0.721908E-04    0.164612E+02 -0.438552E-05 0.100000E-04    0.993080E+00
 109    0.459022E-04    0.139578E+02 -0.328864E-05 0.100000E-04    0.990727E+00
 110    0.164141E-04    0.128154E+02 -0.128081E-05 0.100000E-04    0.968303E+00
 111    0.633684E-04    0.118685E+02 -0.533922E-05 0.100000E-04    0.985832E+00
 112   -0.282571E-04    0.932902E+01  0.302895E-05 0.100000E-04    0.998270E+00
 113   -0.614632E-03    0.754019E+01  0.100000E-04 0.100000E-04    0.471855E+00
 114   -0.144079E+00    0.474606E+01 -0.400000E-03 0.400000E-03    0.554522E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3032957633E-01

 Beginning of optimization cycle   56.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4008214165
 potential> RMS force:                                               0.0136721246   |gradient|=.1459783437    
 Eigenvalues of the Hessian matrix:
   716.89538    669.77459    622.28833    602.51009    589.54528    563.07776 
   559.91632    477.47203    471.27497    463.91735    441.67235    432.19800 
   420.02274    405.21758    398.52912    388.14990    366.93090    364.42336 
   353.14665    345.33891    324.20330    323.89099    318.98801    315.82726 
   305.41360    287.27428    280.08387    271.85565    265.84185    261.82873 
   257.65979    253.36550    244.71820    239.93252    233.81847    228.37426 
   225.50419    213.03467    211.15957    210.03762    202.82840    198.79669 
   195.21239    191.69932    186.54759    178.82748    170.67943    168.14130 
   165.80682    160.71467    153.99554    151.07378    148.28021    142.35960 
   136.87819    134.52286    131.03620    127.71638    125.57033    124.23636 
   119.42914    118.00558    116.21599    112.92736    110.48143    105.73796 
   102.84137    100.69302     97.22024     95.00576     91.59493     90.37440 
    87.68149     84.43072     80.91371     78.98706     78.73749     73.14720 
    71.20031     69.76409     67.51400     63.70729     62.41626     59.65973 
    58.44077     55.84037     53.69281     52.37903     50.28055     48.04709 
    43.84395     39.68167     37.83110     36.08872     34.49526     29.96026 
    29.03723     28.69375     23.67691     21.86386     19.64582     16.46575 
    13.95532     12.81014     11.86248      9.33099      7.54164      4.74828 
overlap for current and previous eigenvector    109 is         0.9999931893
overlap for current and previous eigenvector    110 is        -0.9999899703
overlap for current and previous eigenvector    111 is        -0.9999884071
overlap for current and previous eigenvector    112 is        -0.9999996446
overlap for current and previous eigenvector    113 is         0.9999992976
overlap for current and previous eigenvector    114 is         0.9999991193
J1,K1,R1,R2,RAT=   7   7    0.7610267066E-02     1.992225426        0.9922254262    
FOB,PFOB,DIAG,PSTEP=    0.2968015546E-06    0.2990778036E-06     716.8953828       -0.4172190016E-09
J1,K1,R1,R2,RAT=   8   8   -0.4706900594E-01     2.047008806        0.9529309941    
FOB,PFOB,DIAG,PSTEP=   -0.2138240123E-06   -0.2042116821E-06     669.7745909        0.3049053098E-09
J1,K1,R1,R2,RAT=   9   9   -0.1015876954E-01     2.010071301        0.9898412305    
FOB,PFOB,DIAG,PSTEP=    0.4526919388E-06    0.4481391968E-06     622.2883264       -0.7201786979E-09
J1,K1,R1,R2,RAT=  10  10   -0.5520977640E-02     2.005446117        0.9944790224    
FOB,PFOB,DIAG,PSTEP=    0.1117595944E-05    0.1111459372E-05     602.5100908       -0.1844784001E-08
J1,K1,R1,R2,RAT=  11  11   -0.3097145608E-02     2.003079647        0.9969028544    
FOB,PFOB,DIAG,PSTEP=   -0.8612230747E-06   -0.8585639538E-06     589.5452842        0.1456328273E-08
J1,K1,R1,R2,RAT= 109 109   -0.9107862835E-02     2.009464218        0.9908921372    
FOB,PFOB,DIAG,PSTEP=    0.4632015177E-04    0.4590215571E-04     13.95532108       -0.3288636510E-05
J1,K1,R1,R2,RAT= 110 110     2.032204072       -0.3138065051E-01    0.9686193495    
FOB,PFOB,DIAG,PSTEP=   -0.1692900951E-04    0.1641413525E-04     12.81014057       -0.1280811875E-05
J1,K1,R1,R2,RAT= 111 111     2.014951290       -0.1394249940E-01    0.9860575006    
FOB,PFOB,DIAG,PSTEP=   -0.6425142734E-04    0.6336835944E-04     11.86247598       -0.5339223696E-05
J1,K1,R1,R2,RAT= 112 112     2.001029810       -0.1451901842E-02    0.9985480982    
FOB,PFOB,DIAG,PSTEP=    0.2829813209E-04   -0.2825709690E-04     9.330989270        0.3028945900E-05
J1,K1,R1,R2,RAT= 113 113   -0.5431084778         16.84280255        0.4568915222    
FOB,PFOB,DIAG,PSTEP=   -0.6555911951E-03   -0.6146319223E-03     7.541637525        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9994329042        -152.7160152        0.5670958366E-03
FOB,PFOB,DIAG,PSTEP=   -0.1459767831       -0.1440785484         4.748279529       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00000     -0.00001 
     0.00000      0.00001      0.00001      0.00000      0.00000     -0.00001 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
     0.00000     -0.00001     -0.00001      0.00001      0.00000     -0.00002 
     0.00002      0.00000      0.00001     -0.00001     -0.00001     -0.00001 
    -0.00001     -0.00002     -0.00001      0.00000      0.00001     -0.00001 
    -0.00000      0.00001     -0.00002      0.00001      0.00002      0.00001 
     0.00001     -0.00001      0.00001     -0.00002     -0.00006      0.00002 
     0.00002     -0.00003      0.00001     -0.00000      0.00005     -0.00007 
     0.00005     -0.00002     -0.00006      0.00003     -0.00066     -0.14598 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4346091523
 Log product of positive Hessian eigenvalues =          520.4921469015
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7482795286
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000039
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000096
 Unscaled step for mode   15=       -0.0000000030
 Unscaled step for mode   16=       -0.0000000014
 Unscaled step for mode   17=       -0.0000000012
 Unscaled step for mode   18=       -0.0000000054
 Unscaled step for mode   19=       -0.0000000103
 Unscaled step for mode   20=       -0.0000000154
 Unscaled step for mode   21=       -0.0000000074
 Unscaled step for mode   22=        0.0000000022
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000147
 Unscaled step for mode   26=       -0.0000000214
 Unscaled step for mode   27=       -0.0000000160
 Unscaled step for mode   28=       -0.0000000113
 Unscaled step for mode   29=        0.0000000118
 Unscaled step for mode   30=        0.0000000100
 Unscaled step for mode   31=        0.0000000025
 Unscaled step for mode   32=       -0.0000000011
 Unscaled step for mode   33=       -0.0000000094
 Unscaled step for mode   34=       -0.0000000042
 Unscaled step for mode   35=       -0.0000000287
 Unscaled step for mode   36=       -0.0000000035
 Unscaled step for mode   37=        0.0000000123
 Unscaled step for mode   38=        0.0000000077
 Unscaled step for mode   39=        0.0000000225
 Unscaled step for mode   40=       -0.0000000062
 Unscaled step for mode   41=       -0.0000000094
 Unscaled step for mode   42=        0.0000000048
 Unscaled step for mode   43=       -0.0000000045
 Unscaled step for mode   44=        0.0000000010
 Unscaled step for mode   45=       -0.0000000124
 Unscaled step for mode   46=        0.0000000098
 Unscaled step for mode   47=        0.0000000372
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000191
 Unscaled step for mode   50=        0.0000000175
 Unscaled step for mode   51=        0.0000000164
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000204
 Unscaled step for mode   54=       -0.0000000059
 Unscaled step for mode   55=       -0.0000000392
 Unscaled step for mode   56=        0.0000000152
 Unscaled step for mode   57=       -0.0000000071
 Unscaled step for mode   58=       -0.0000000342
 Unscaled step for mode   59=       -0.0000000211
 Unscaled step for mode   60=        0.0000000354
 Unscaled step for mode   61=       -0.0000000282
 Unscaled step for mode   62=       -0.0000000945
 Unscaled step for mode   63=       -0.0000000609
 Unscaled step for mode   64=       -0.0000000098
 Unscaled step for mode   65=       -0.0000000127
 Unscaled step for mode   66=        0.0000000672
 Unscaled step for mode   67=       -0.0000000059
 Unscaled step for mode   68=        0.0000000181
 Unscaled step for mode   69=        0.0000000076
 Unscaled step for mode   70=        0.0000000256
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=        0.0000000923
 Unscaled step for mode   73=       -0.0000000248
 Unscaled step for mode   74=        0.0000001228
 Unscaled step for mode   75=        0.0000000650
 Unscaled step for mode   76=       -0.0000000996
 Unscaled step for mode   77=       -0.0000000010
 Unscaled step for mode   78=        0.0000001887
 Unscaled step for mode   79=       -0.0000002339
 Unscaled step for mode   80=       -0.0000000453
 Unscaled step for mode   81=       -0.0000000638
 Unscaled step for mode   82=        0.0000001153
 Unscaled step for mode   83=        0.0000001111
 Unscaled step for mode   84=        0.0000000821
 Unscaled step for mode   85=        0.0000001889
 Unscaled step for mode   86=        0.0000002461
 Unscaled step for mode   87=        0.0000000903
 Unscaled step for mode   88=       -0.0000000158
 Unscaled step for mode   89=       -0.0000002369
 Unscaled step for mode   90=        0.0000001106
 Unscaled step for mode   91=        0.0000000243
 Unscaled step for mode   92=       -0.0000002511
 Unscaled step for mode   93=        0.0000004187
 Unscaled step for mode   94=       -0.0000001586
 Unscaled step for mode   95=       -0.0000004411
 Unscaled step for mode   96=       -0.0000001271
 Unscaled step for mode   97=       -0.0000002659
 Unscaled step for mode   98=        0.0000002246
 Unscaled step for mode   99=       -0.0000003192
 Unscaled step for mode  100=        0.0000005957
 Unscaled step for mode  101=        0.0000016485
 Unscaled step for mode  102=       -0.0000008144
 Unscaled step for mode  103=       -0.0000006493
 Unscaled step for mode  104=        0.0000009446
 Unscaled step for mode  105=       -0.0000003450
 Unscaled step for mode  106=        0.0000001935
 Unscaled step for mode  107=       -0.0000027911
 Unscaled step for mode  108=        0.0000044138
 Unscaled step for mode  109=       -0.0000033192
 Unscaled step for mode  110=        0.0000013215
 Unscaled step for mode  111=        0.0000054164
 Unscaled step for mode  112=       -0.0000030327
 Unscaled step for mode  113=        0.0000869296
 Unscaled step for mode  114=       -0.0307140880
 Largest modulus ratio of non-zero e/values=           150.9800294    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.292735E-17    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.804695E-15    0.100777E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.756993E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.444957E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.653638E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.712050E-16    0.973458E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.296802E-06    0.716895E+03 -0.414010E-09 0.100000E-04    0.992225E+00
   8   -0.213824E-06    0.669775E+03  0.319248E-09 0.100000E-04    0.952931E+00
   9    0.452692E-06    0.622288E+03 -0.727463E-09 0.100000E-04    0.989841E+00
  10    0.111760E-05    0.602510E+03 -0.185490E-08 0.100000E-04    0.994479E+00
  11   -0.861223E-06    0.589545E+03  0.146083E-08 0.100000E-04    0.996903E+00
  12    0.218054E-05    0.563078E+03 -0.387253E-08 0.100000E-04    0.994159E+00
  13    0.208411E-05    0.559916E+03 -0.372218E-08 0.100000E-04    0.999003E+00
  14   -0.457207E-05    0.477472E+03  0.957558E-08 0.100000E-04    0.994574E+00
  15    0.143307E-05    0.471275E+03 -0.304084E-08 0.100000E-04    0.996108E+00
  16    0.641379E-06    0.463917E+03 -0.138253E-08 0.100000E-04    0.983846E+00
  17    0.542808E-06    0.441672E+03 -0.122898E-08 0.100000E-04    0.980745E+00
  18    0.233576E-05    0.432198E+03 -0.540437E-08 0.100000E-04    0.992576E+00
  19    0.432734E-05    0.420023E+03 -0.103026E-07 0.100000E-04    0.990299E+00
  20    0.622839E-05    0.405218E+03 -0.153705E-07 0.100000E-04    0.993814E+00
  21    0.296861E-05    0.398529E+03 -0.744891E-08 0.100000E-04    0.989340E+00
  22   -0.856469E-06    0.388150E+03  0.220654E-08 0.100000E-04    0.992082E+00
  23   -0.193420E-05    0.366931E+03  0.527129E-08 0.100000E-04    0.997866E+00
  24    0.166117E-05    0.364423E+03 -0.455834E-08 0.100000E-04    0.995013E+00
  25   -0.519280E-05    0.353147E+03  0.147044E-07 0.100000E-04    0.990030E+00
  26    0.738965E-05    0.345339E+03 -0.213983E-07 0.100000E-04    0.988705E+00
  27    0.518565E-05    0.324203E+03 -0.159950E-07 0.100000E-04    0.983760E+00
  28    0.365311E-05    0.323891E+03 -0.112788E-07 0.100000E-04    0.992801E+00
  29   -0.375585E-05    0.318988E+03  0.117743E-07 0.100000E-04    0.983381E+00
  30   -0.314794E-05    0.315827E+03  0.996727E-08 0.100000E-04    0.990033E+00
  31   -0.758099E-06    0.305414E+03  0.248220E-08 0.100000E-04    0.976061E+00
  32    0.315362E-06    0.287274E+03 -0.109777E-08 0.100000E-04    0.978355E+00
  33    0.262629E-05    0.280084E+03 -0.937680E-08 0.100000E-04    0.989304E+00
  34    0.115049E-05    0.271856E+03 -0.423199E-08 0.100000E-04    0.989695E+00
  35    0.764288E-05    0.265842E+03 -0.287497E-07 0.100000E-04    0.988981E+00
  36    0.927104E-06    0.261829E+03 -0.354088E-08 0.100000E-04    0.982485E+00
  37   -0.315694E-05    0.257660E+03  0.122524E-07 0.100000E-04    0.988193E+00
  38   -0.195217E-05    0.253366E+03  0.770495E-08 0.100000E-04    0.991100E+00
  39   -0.549549E-05    0.244718E+03  0.224564E-07 0.100000E-04    0.988230E+00
  40    0.148112E-05    0.239933E+03 -0.617305E-08 0.100000E-04    0.973950E+00
  41    0.219185E-05    0.233818E+03 -0.937416E-08 0.100000E-04    0.979593E+00
  42   -0.110028E-05    0.228374E+03  0.481787E-08 0.100000E-04    0.981577E+00
  43    0.101297E-05    0.225504E+03 -0.449202E-08 0.100000E-04    0.986523E+00
  44   -0.210039E-06    0.213035E+03  0.985938E-09 0.100000E-04    0.868627E+00
  45    0.261421E-05    0.211160E+03 -0.123803E-07 0.100000E-04    0.988669E+00
  46   -0.206672E-05    0.210038E+03  0.983974E-08 0.100000E-04    0.978667E+00
  47   -0.754677E-05    0.202828E+03  0.372077E-07 0.100000E-04    0.987397E+00
  48   -0.120927E-05    0.198797E+03  0.608294E-08 0.100000E-04    0.999604E+00
  49    0.373650E-05    0.195212E+03 -0.191407E-07 0.100000E-04    0.985637E+00
  50   -0.335467E-05    0.191699E+03  0.174997E-07 0.100000E-04    0.989003E+00
  51   -0.306225E-05    0.186548E+03  0.164154E-07 0.100000E-04    0.988525E+00
  52    0.444450E-06    0.178827E+03 -0.248536E-08 0.100000E-04    0.996297E+00
  53   -0.347994E-05    0.170679E+03  0.203888E-07 0.100000E-04    0.989507E+00
  54    0.987046E-06    0.168141E+03 -0.587034E-08 0.100000E-04    0.976857E+00
  55    0.650283E-05    0.165807E+03 -0.392193E-07 0.100000E-04    0.989051E+00
  56   -0.243708E-05    0.160715E+03  0.151640E-07 0.100000E-04    0.989530E+00
  57    0.109107E-05    0.153996E+03 -0.708508E-08 0.100000E-04    0.991260E+00
  58    0.516241E-05    0.151074E+03 -0.341714E-07 0.100000E-04    0.989660E+00
  59    0.312131E-05    0.148280E+03 -0.210501E-07 0.100000E-04    0.987242E+00
  60   -0.503531E-05    0.142360E+03  0.353704E-07 0.100000E-04    0.987453E+00
  61    0.386037E-05    0.136878E+03 -0.282030E-07 0.100000E-04    0.988221E+00
  62    0.127096E-04    0.134523E+03 -0.944793E-07 0.100000E-04    0.989686E+00
  63    0.797609E-05    0.131036E+03 -0.608693E-07 0.100000E-04    0.989224E+00
  64    0.125664E-05    0.127716E+03 -0.983931E-08 0.100000E-04    0.984040E+00
  65    0.160059E-05    0.125570E+03 -0.127465E-07 0.100000E-04    0.995952E+00
  66   -0.834676E-05    0.124236E+03  0.671845E-07 0.100000E-04    0.988441E+00
  67    0.705207E-06    0.119429E+03 -0.590481E-08 0.100000E-04    0.992815E+00
  68   -0.213613E-05    0.118006E+03  0.181020E-07 0.100000E-04    0.987251E+00
  69   -0.879666E-06    0.116216E+03  0.756923E-08 0.100000E-04    0.993526E+00
  70   -0.289115E-05    0.112927E+03  0.256018E-07 0.100000E-04    0.979790E+00
  71   -0.236086E-06    0.110481E+03  0.213688E-08 0.100000E-04    0.992028E+00
  72   -0.975508E-05    0.105738E+03  0.922572E-07 0.100000E-04    0.987291E+00
  73    0.255159E-05    0.102841E+03 -0.248109E-07 0.100000E-04    0.977812E+00
  74   -0.123686E-04    0.100693E+03  0.122834E-06 0.100000E-04    0.988403E+00
  75   -0.632237E-05    0.972202E+02  0.650314E-07 0.100000E-04    0.984010E+00
  76    0.945812E-05    0.950058E+02 -0.995532E-07 0.100000E-04    0.987211E+00
  77    0.883465E-07    0.915949E+02 -0.964535E-09 0.100000E-04    0.968899E+00
  78   -0.170522E-04    0.903744E+02  0.188684E-06 0.100000E-04    0.986750E+00
  79    0.205114E-04    0.876815E+02 -0.233931E-06 0.100000E-04    0.989832E+00
  80    0.382186E-05    0.844307E+02 -0.452662E-07 0.100000E-04    0.984335E+00
  81    0.516402E-05    0.809137E+02 -0.638213E-07 0.100000E-04    0.986438E+00
  82   -0.910533E-05    0.789871E+02  0.115276E-06 0.100000E-04    0.982976E+00
  83   -0.874624E-05    0.787375E+02  0.111081E-06 0.100000E-04    0.999187E+00
  84   -0.600575E-05    0.731472E+02  0.821049E-07 0.100000E-04    0.985742E+00
  85   -0.134511E-04    0.712003E+02  0.188920E-06 0.100000E-04    0.988999E+00
  86   -0.171667E-04    0.697641E+02  0.246067E-06 0.100000E-04    0.988281E+00
  87   -0.609776E-05    0.675140E+02  0.903184E-07 0.100000E-04    0.996109E+00
  88    0.100821E-05    0.637073E+02 -0.158256E-07 0.100000E-04    0.997449E+00
  89    0.147849E-04    0.624163E+02 -0.236875E-06 0.100000E-04    0.988237E+00
  90   -0.659875E-05    0.596597E+02  0.110606E-06 0.100000E-04    0.986656E+00
  91   -0.142068E-05    0.584408E+02  0.243097E-07 0.100000E-04    0.998251E+00
  92    0.140221E-04    0.558404E+02 -0.251110E-06 0.100000E-04    0.984742E+00
  93   -0.224809E-04    0.536928E+02  0.418695E-06 0.100000E-04    0.989721E+00
  94    0.830742E-05    0.523790E+02 -0.158602E-06 0.100000E-04    0.985014E+00
  95    0.221770E-04    0.502806E+02 -0.441064E-06 0.100000E-04    0.990684E+00
  96    0.610666E-05    0.480471E+02 -0.127097E-06 0.100000E-04    0.991129E+00
  97    0.116593E-04    0.438440E+02 -0.265927E-06 0.100000E-04    0.987636E+00
  98   -0.891166E-05    0.396817E+02  0.224579E-06 0.100000E-04    0.989521E+00
  99    0.120763E-04    0.378311E+02 -0.319217E-06 0.100000E-04    0.981666E+00
 100   -0.214983E-04    0.360887E+02  0.595707E-06 0.100000E-04    0.990138E+00
 101   -0.568656E-04    0.344953E+02  0.164851E-05 0.100000E-04    0.987860E+00
 102    0.243995E-04    0.299603E+02 -0.814395E-06 0.100000E-04    0.990103E+00
 103    0.188529E-04    0.290372E+02 -0.649268E-06 0.100000E-04    0.988241E+00
 104   -0.271044E-04    0.286938E+02  0.944609E-06 0.100000E-04    0.990190E+00
 105    0.816926E-05    0.236769E+02 -0.345031E-06 0.100000E-04    0.977530E+00
 106   -0.423050E-05    0.218639E+02  0.193493E-06 0.100000E-04    0.998458E+00
 107    0.548332E-04    0.196458E+02 -0.279109E-05 0.100000E-04    0.986733E+00
 108   -0.726761E-04    0.164657E+02  0.441377E-05 0.100000E-04    0.993279E+00
 109    0.463202E-04    0.139553E+02 -0.331917E-05 0.100000E-04    0.990892E+00
 110   -0.169290E-04    0.128101E+02  0.132153E-05 0.100000E-04    0.968619E+00
 111   -0.642514E-04    0.118625E+02  0.541636E-05 0.100000E-04    0.986058E+00
 112    0.282981E-04    0.933099E+01 -0.303270E-05 0.100000E-04    0.998548E+00
 113   -0.655591E-03    0.754164E+01  0.100000E-04 0.100000E-04    0.456892E+00
 114   -0.145977E+00    0.474828E+01 -0.400000E-03 0.400000E-03    0.567096E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3071408797E-01

 Beginning of optimization cycle   57.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4007626527
 potential> RMS force:                                               0.0138500062   |gradient|=.1478776001    
 Eigenvalues of the Hessian matrix:
   716.95429    669.79470    622.31543    602.53249    589.55034    563.10134 
   559.95380    477.48575    471.25315    463.90466    441.66821    432.18658 
   420.03018    405.22804    398.52575    388.15574    366.93068    364.41270 
   353.13554    345.29827    324.17251    323.89535    318.98340    315.84793 
   305.41282    287.27497    280.08113    271.84786    265.83947    261.83428 
   257.65898    253.36551    244.70219    239.92245    233.82711    228.37706 
   225.48600    213.02652    211.15602    210.03758    202.82984    198.79143 
   195.21549    191.69733    186.54581    178.81268    170.67883    168.14179 
   165.80547    160.71272    153.98850    151.07328    148.28716    142.36463 
   136.87899    134.52664    131.03585    127.71579    125.57369    124.24462 
   119.42865    118.00403    116.22012    112.92130    110.47577    105.73399 
   102.84055    100.68892     97.22097     95.00657     91.58819     90.37911 
    87.69215     84.43129     80.91266     78.98842     78.73785     73.14446 
    71.20343     69.75581     67.51789     63.70198     62.41358     59.65988 
    58.44381     55.83965     53.69229     52.37710     50.28129     48.04640 
    43.83959     39.68489     37.82330     36.09152     34.50055     29.95049 
    29.03603     28.69427     23.67124     21.86457     19.64304     16.47030 
    13.95285     12.80488     11.85642      9.33296      7.54307      4.75046 
overlap for current and previous eigenvector    109 is         0.9999932593
overlap for current and previous eigenvector    110 is         0.9999899182
overlap for current and previous eigenvector    111 is         0.9999882896
overlap for current and previous eigenvector    112 is         0.9999996442
overlap for current and previous eigenvector    113 is         0.9999992982
overlap for current and previous eigenvector    114 is         0.9999991234
J1,K1,R1,R2,RAT=   7   7    0.7977284103E-02     1.991858379        0.9918583793    
FOB,PFOB,DIAG,PSTEP=    0.2944336897E-06    0.2968015546E-06     716.9542937       -0.4140095776E-09
J1,K1,R1,R2,RAT=   8   8   -0.4533960503E-01     2.045279553        0.9546603950    
FOB,PFOB,DIAG,PSTEP=   -0.2235189997E-06   -0.2138240123E-06     669.7947023        0.3192477219E-09
J1,K1,R1,R2,RAT=   9   9   -0.1001312418E-01     2.009926023        0.9899868758    
FOB,PFOB,DIAG,PSTEP=    0.4572249968E-06    0.4526919388E-06     622.3154286       -0.7274633310E-09
J1,K1,R1,R2,RAT=  10  10   -0.5451423958E-02     2.005377063        0.9945485760    
FOB,PFOB,DIAG,PSTEP=    0.1123688660E-05    0.1117595944E-05     602.5324932       -0.1854899961E-08
J1,K1,R1,R2,RAT=  11  11   -0.3050340317E-02     2.003033199        0.9969496597    
FOB,PFOB,DIAG,PSTEP=   -0.8638501207E-06   -0.8612230747E-06     589.5503369        0.1460825992E-08
J1,K1,R1,R2,RAT= 109 109   -0.8947546833E-02     2.009301078        0.9910524532    
FOB,PFOB,DIAG,PSTEP=    0.4673453025E-04    0.4632015177E-04     13.95285470       -0.3319174922E-05
J1,K1,R1,R2,RAT= 110 110   -0.3106375986E-01     2.031885449        0.9689362401    
FOB,PFOB,DIAG,PSTEP=   -0.1745467223E-04   -0.1692900951E-04     12.80487975        0.1321531908E-05
J1,K1,R1,R2,RAT= 111 111   -0.1372113651E-01     2.014742074        0.9862788635    
FOB,PFOB,DIAG,PSTEP=   -0.6513258015E-04   -0.6425142734E-04     11.85642365        0.5416358898E-05
J1,K1,R1,R2,RAT= 112 112   -0.1177378113E-02     2.000755612        0.9988226219    
FOB,PFOB,DIAG,PSTEP=    0.2833145672E-04    0.2829813209E-04     9.332957431       -0.3032704386E-05
J1,K1,R1,R2,RAT= 113 113   -0.5579346689         17.94054368        0.4420653311    
FOB,PFOB,DIAG,PSTEP=   -0.6976765985E-03   -0.6555911951E-03     7.543070141        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9994199739        -154.6443018        0.5800260822E-03
FOB,PFOB,DIAG,PSTEP=   -0.1478758651       -0.1459767831         4.750460327       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00000     -0.00001 
     0.00000     -0.00001     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00001      0.00001     -0.00000     -0.00002 
     0.00002     -0.00000      0.00001     -0.00001     -0.00001     -0.00001 
     0.00001      0.00002     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00000      0.00001     -0.00002      0.00001     -0.00002      0.00001 
    -0.00001     -0.00001      0.00001     -0.00002     -0.00006      0.00002 
     0.00002     -0.00003     -0.00001      0.00000      0.00006     -0.00007 
     0.00005     -0.00002     -0.00007      0.00003     -0.00070     -0.14788 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4346836114
 Log product of positive Hessian eigenvalues =          520.4911386607
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7504603270
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000039
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000096
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000014
 Unscaled step for mode   17=       -0.0000000013
 Unscaled step for mode   18=       -0.0000000054
 Unscaled step for mode   19=       -0.0000000104
 Unscaled step for mode   20=       -0.0000000155
 Unscaled step for mode   21=       -0.0000000075
 Unscaled step for mode   22=        0.0000000022
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000149
 Unscaled step for mode   26=       -0.0000000216
 Unscaled step for mode   27=       -0.0000000163
 Unscaled step for mode   28=       -0.0000000111
 Unscaled step for mode   29=        0.0000000120
 Unscaled step for mode   30=        0.0000000101
 Unscaled step for mode   31=        0.0000000025
 Unscaled step for mode   32=       -0.0000000011
 Unscaled step for mode   33=       -0.0000000095
 Unscaled step for mode   34=       -0.0000000043
 Unscaled step for mode   35=       -0.0000000291
 Unscaled step for mode   36=       -0.0000000036
 Unscaled step for mode   37=        0.0000000124
 Unscaled step for mode   38=        0.0000000078
 Unscaled step for mode   39=        0.0000000227
 Unscaled step for mode   40=       -0.0000000063
 Unscaled step for mode   41=       -0.0000000096
 Unscaled step for mode   42=        0.0000000049
 Unscaled step for mode   43=       -0.0000000046
 Unscaled step for mode   44=        0.0000000011
 Unscaled step for mode   45=       -0.0000000125
 Unscaled step for mode   46=        0.0000000100
 Unscaled step for mode   47=        0.0000000377
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000194
 Unscaled step for mode   50=        0.0000000177
 Unscaled step for mode   51=        0.0000000166
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000206
 Unscaled step for mode   54=       -0.0000000060
 Unscaled step for mode   55=       -0.0000000396
 Unscaled step for mode   56=        0.0000000153
 Unscaled step for mode   57=       -0.0000000071
 Unscaled step for mode   58=       -0.0000000345
 Unscaled step for mode   59=       -0.0000000213
 Unscaled step for mode   60=        0.0000000358
 Unscaled step for mode   61=       -0.0000000285
 Unscaled step for mode   62=        0.0000000954
 Unscaled step for mode   63=        0.0000000615
 Unscaled step for mode   64=        0.0000000100
 Unscaled step for mode   65=        0.0000000128
 Unscaled step for mode   66=        0.0000000679
 Unscaled step for mode   67=        0.0000000059
 Unscaled step for mode   68=       -0.0000000183
 Unscaled step for mode   69=        0.0000000075
 Unscaled step for mode   70=        0.0000000261
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=        0.0000000934
 Unscaled step for mode   73=        0.0000000254
 Unscaled step for mode   74=       -0.0000001242
 Unscaled step for mode   75=       -0.0000000661
 Unscaled step for mode   76=       -0.0000001008
 Unscaled step for mode   77=        0.0000000010
 Unscaled step for mode   78=        0.0000001911
 Unscaled step for mode   79=       -0.0000002362
 Unscaled step for mode   80=        0.0000000460
 Unscaled step for mode   81=       -0.0000000647
 Unscaled step for mode   82=        0.0000001172
 Unscaled step for mode   83=        0.0000001110
 Unscaled step for mode   84=        0.0000000833
 Unscaled step for mode   85=       -0.0000001910
 Unscaled step for mode   86=       -0.0000002489
 Unscaled step for mode   87=        0.0000000906
 Unscaled step for mode   88=        0.0000000158
 Unscaled step for mode   89=        0.0000002396
 Unscaled step for mode   90=       -0.0000001121
 Unscaled step for mode   91=        0.0000000243
 Unscaled step for mode   92=       -0.0000002549
 Unscaled step for mode   93=        0.0000004229
 Unscaled step for mode   94=       -0.0000001610
 Unscaled step for mode   95=        0.0000004451
 Unscaled step for mode   96=       -0.0000001282
 Unscaled step for mode   97=        0.0000002692
 Unscaled step for mode   98=        0.0000002269
 Unscaled step for mode   99=       -0.0000003251
 Unscaled step for mode  100=        0.0000006014
 Unscaled step for mode  101=        0.0000016680
 Unscaled step for mode  102=       -0.0000008226
 Unscaled step for mode  103=       -0.0000006568
 Unscaled step for mode  104=        0.0000009537
 Unscaled step for mode  105=        0.0000003527
 Unscaled step for mode  106=       -0.0000001937
 Unscaled step for mode  107=       -0.0000028280
 Unscaled step for mode  108=        0.0000044414
 Unscaled step for mode  109=       -0.0000033495
 Unscaled step for mode  110=        0.0000013631
 Unscaled step for mode  111=        0.0000054934
 Unscaled step for mode  112=       -0.0000030356
 Unscaled step for mode  113=        0.0000924924
 Unscaled step for mode  114=       -0.0310986390
 Largest modulus ratio of non-zero e/values=           150.9231199    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.113841E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.429886E-15    0.100777E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.624717E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.124683E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.497206E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.284468E-16    0.973459E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.294434E-06    0.716954E+03 -0.410673E-09 0.100000E-04    0.991858E+00
   8   -0.223519E-06    0.669795E+03  0.333713E-09 0.100000E-04    0.954660E+00
   9    0.457225E-06    0.622315E+03 -0.734716E-09 0.100000E-04    0.989987E+00
  10    0.112369E-05    0.602532E+03 -0.186494E-08 0.100000E-04    0.994549E+00
  11   -0.863850E-06    0.589550E+03  0.146527E-08 0.100000E-04    0.996950E+00
  12    0.219316E-05    0.563101E+03 -0.389478E-08 0.100000E-04    0.994213E+00
  13    0.208597E-05    0.559954E+03 -0.372525E-08 0.100000E-04    0.999109E+00
  14   -0.459651E-05    0.477486E+03  0.962649E-08 0.100000E-04    0.994655E+00
  15    0.143857E-05    0.471253E+03 -0.305265E-08 0.100000E-04    0.996161E+00
  16    0.651673E-06    0.463905E+03 -0.140476E-08 0.100000E-04    0.983950E+00
  17    0.553145E-06    0.441668E+03 -0.125240E-08 0.100000E-04    0.980956E+00
  18    0.235294E-05    0.432187E+03 -0.544426E-08 0.100000E-04    0.992645E+00
  19    0.436899E-05    0.420030E+03 -0.104016E-07 0.100000E-04    0.990376E+00
  20    0.626643E-05    0.405228E+03 -0.154640E-07 0.100000E-04    0.993893E+00
  21    0.299992E-05    0.398526E+03 -0.752755E-08 0.100000E-04    0.989451E+00
  22   -0.849425E-06    0.388156E+03  0.218836E-08 0.100000E-04    0.991745E+00
  23   -0.193815E-05    0.366931E+03  0.528205E-08 0.100000E-04    0.997960E+00
  24    0.166928E-05    0.364413E+03 -0.458074E-08 0.100000E-04    0.995117E+00
  25   -0.524415E-05    0.353136E+03  0.148502E-07 0.100000E-04    0.990112E+00
  26    0.747248E-05    0.345298E+03 -0.216407E-07 0.100000E-04    0.988790E+00
  27    0.527889E-05    0.324173E+03 -0.162842E-07 0.100000E-04    0.982018E+00
  28    0.360963E-05    0.323895E+03 -0.111444E-07 0.100000E-04    0.988070E+00
  29   -0.381778E-05    0.318983E+03  0.119686E-07 0.100000E-04    0.983508E+00
  30   -0.317933E-05    0.315848E+03  0.100660E-07 0.100000E-04    0.990028E+00
  31   -0.776021E-06    0.305413E+03  0.254089E-08 0.100000E-04    0.976358E+00
  32    0.308208E-06    0.287275E+03 -0.107287E-08 0.100000E-04    0.977311E+00
  33    0.265413E-05    0.280081E+03 -0.947630E-08 0.100000E-04    0.989398E+00
  34    0.116231E-05    0.271848E+03 -0.427559E-08 0.100000E-04    0.989727E+00
  35    0.772630E-05    0.265839E+03 -0.290638E-07 0.100000E-04    0.989085E+00
  36    0.943302E-06    0.261834E+03 -0.360267E-08 0.100000E-04    0.982529E+00
  37   -0.319393E-05    0.257659E+03  0.123959E-07 0.100000E-04    0.988284E+00
  38   -0.196936E-05    0.253366E+03  0.777281E-08 0.100000E-04    0.991193E+00
  39   -0.555954E-05    0.244702E+03  0.227196E-07 0.100000E-04    0.988344E+00
  40    0.151924E-05    0.239922E+03 -0.633222E-08 0.100000E-04    0.974258E+00
  41    0.223617E-05    0.233827E+03 -0.956335E-08 0.100000E-04    0.979780E+00
  42   -0.112034E-05    0.228377E+03  0.490567E-08 0.100000E-04    0.981763E+00
  43    0.102656E-05    0.225486E+03 -0.455266E-08 0.100000E-04    0.986581E+00
  44   -0.235003E-06    0.213027E+03  0.110316E-08 0.100000E-04    0.881142E+00
  45    0.264307E-05    0.211156E+03 -0.125171E-07 0.100000E-04    0.988962E+00
  46   -0.211077E-05    0.210038E+03  0.100495E-07 0.100000E-04    0.978682E+00
  47   -0.764100E-05    0.202830E+03  0.376720E-07 0.100000E-04    0.987514E+00
  48   -0.120948E-05    0.198791E+03  0.608415E-08 0.100000E-04    0.999826E+00
  49    0.378970E-05    0.195215E+03 -0.194129E-07 0.100000E-04    0.985761E+00
  50   -0.339118E-05    0.191697E+03  0.176903E-07 0.100000E-04    0.989118E+00
  51   -0.309706E-05    0.186546E+03  0.166021E-07 0.100000E-04    0.988635E+00
  52    0.446016E-06    0.178813E+03 -0.249432E-08 0.100000E-04    0.996476E+00
  53   -0.351602E-05    0.170679E+03  0.206002E-07 0.100000E-04    0.989632E+00
  54    0.100966E-05    0.168142E+03 -0.600479E-08 0.100000E-04    0.977094E+00
  55    0.657326E-05    0.165805E+03 -0.396444E-07 0.100000E-04    0.989169E+00
  56   -0.246231E-05    0.160713E+03  0.153212E-07 0.100000E-04    0.989648E+00
  57    0.110053E-05    0.153989E+03 -0.714685E-08 0.100000E-04    0.991327E+00
  58    0.521525E-05    0.151073E+03 -0.345214E-07 0.100000E-04    0.989763E+00
  59    0.316066E-05    0.148287E+03 -0.213145E-07 0.100000E-04    0.987392E+00
  60   -0.509781E-05    0.142365E+03  0.358081E-07 0.100000E-04    0.987589E+00
  61    0.390544E-05    0.136879E+03 -0.285320E-07 0.100000E-04    0.988327E+00
  62   -0.128391E-04    0.134527E+03  0.954394E-07 0.100000E-04    0.989810E+00
  63   -0.806107E-05    0.131036E+03  0.615180E-07 0.100000E-04    0.989345E+00
  64   -0.127660E-05    0.127716E+03  0.999563E-08 0.100000E-04    0.984117E+00
  65   -0.160665E-05    0.125574E+03  0.127945E-07 0.100000E-04    0.996209E+00
  66   -0.844222E-05    0.124245E+03  0.679484E-07 0.100000E-04    0.988564E+00
  67   -0.710230E-06    0.119429E+03  0.594690E-08 0.100000E-04    0.992877E+00
  68    0.216310E-05    0.118004E+03 -0.183308E-07 0.100000E-04    0.987374E+00
  69   -0.873695E-06    0.116220E+03  0.751759E-08 0.100000E-04    0.993142E+00
  70   -0.294886E-05    0.112921E+03  0.261143E-07 0.100000E-04    0.980038E+00
  71   -0.234033E-06    0.110476E+03  0.211841E-08 0.100000E-04    0.991306E+00
  72   -0.987785E-05    0.105734E+03  0.934217E-07 0.100000E-04    0.987415E+00
  73   -0.260758E-05    0.102841E+03  0.253556E-07 0.100000E-04    0.978056E+00
  74    0.125102E-04    0.100689E+03 -0.124246E-06 0.100000E-04    0.988546E+00
  75    0.642262E-05    0.972210E+02 -0.660621E-07 0.100000E-04    0.984143E+00
  76    0.957778E-05    0.950066E+02 -0.100812E-06 0.100000E-04    0.987349E+00
  77   -0.910671E-07    0.915882E+02  0.994311E-09 0.100000E-04    0.969203E+00
  78   -0.172758E-04    0.903791E+02  0.191149E-06 0.100000E-04    0.986887E+00
  79    0.207167E-04    0.876921E+02 -0.236243E-06 0.100000E-04    0.989992E+00
  80   -0.388114E-05    0.844313E+02  0.459680E-07 0.100000E-04    0.984489E+00
  81    0.523321E-05    0.809127E+02 -0.646772E-07 0.100000E-04    0.986602E+00
  82   -0.925710E-05    0.789884E+02  0.117196E-06 0.100000E-04    0.983332E+00
  83   -0.873692E-05    0.787379E+02  0.110962E-06 0.100000E-04    0.998925E+00
  84   -0.609057E-05    0.731445E+02  0.832677E-07 0.100000E-04    0.985876E+00
  85    0.135974E-04    0.712034E+02 -0.190966E-06 0.100000E-04    0.989126E+00
  86    0.173651E-04    0.697558E+02 -0.248941E-06 0.100000E-04    0.988441E+00
  87   -0.612006E-05    0.675179E+02  0.906435E-07 0.100000E-04    0.996344E+00
  88   -0.100482E-05    0.637020E+02  0.157738E-07 0.100000E-04    0.996643E+00
  89   -0.149567E-04    0.624136E+02  0.239639E-06 0.100000E-04    0.988375E+00
  90    0.668576E-05    0.596599E+02 -0.112065E-06 0.100000E-04    0.986815E+00
  91   -0.141794E-05    0.584438E+02  0.242615E-07 0.100000E-04    0.997966E+00
  92    0.142337E-04    0.558397E+02 -0.254903E-06 0.100000E-04    0.984906E+00
  93   -0.227082E-04    0.536923E+02  0.422933E-06 0.100000E-04    0.989888E+00
  94    0.843061E-05    0.523771E+02 -0.160960E-06 0.100000E-04    0.985171E+00
  95   -0.223800E-04    0.502813E+02  0.445097E-06 0.100000E-04    0.990843E+00
  96    0.615997E-05    0.480464E+02 -0.128209E-06 0.100000E-04    0.991270E+00
  97   -0.118016E-04    0.438396E+02  0.269199E-06 0.100000E-04    0.987793E+00
  98   -0.900387E-05    0.396849E+02  0.226884E-06 0.100000E-04    0.989654E+00
  99    0.122958E-04    0.378233E+02 -0.325086E-06 0.100000E-04    0.981820E+00
 100   -0.217070E-04    0.360915E+02  0.601444E-06 0.100000E-04    0.990291E+00
 101   -0.575459E-04    0.345005E+02  0.166797E-05 0.100000E-04    0.988040E+00
 102    0.246378E-04    0.299505E+02 -0.822618E-06 0.100000E-04    0.990230E+00
 103    0.190716E-04    0.290360E+02 -0.656824E-06 0.100000E-04    0.988402E+00
 104   -0.273657E-04    0.286943E+02  0.953700E-06 0.100000E-04    0.990357E+00
 105   -0.834996E-05    0.236712E+02  0.352747E-06 0.100000E-04    0.977875E+00
 106    0.423591E-05    0.218646E+02 -0.193734E-06 0.100000E-04    0.998720E+00
 107    0.555504E-04    0.196430E+02 -0.282799E-05 0.100000E-04    0.986920E+00
 108   -0.731505E-04    0.164703E+02  0.444136E-05 0.100000E-04    0.993474E+00
 109    0.467345E-04    0.139529E+02 -0.334946E-05 0.100000E-04    0.991052E+00
 110   -0.174547E-04    0.128049E+02  0.136313E-05 0.100000E-04    0.968936E+00
 111   -0.651326E-04    0.118564E+02  0.549344E-05 0.100000E-04    0.986279E+00
 112    0.283315E-04    0.933296E+01 -0.303564E-05 0.100000E-04    0.998823E+00
 113   -0.697677E-03    0.754307E+01  0.100000E-04 0.100000E-04    0.442065E+00
 114   -0.147876E+00    0.475046E+01 -0.400000E-03 0.400000E-03    0.580026E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3109863896E-01

 Beginning of optimization cycle   58.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4007031296
 potential> RMS force:                                               0.0140279669   |gradient|=.1497777008    
 Eigenvalues of the Hessian matrix:
   717.01322    669.81476    622.34242    602.55475    589.55528    563.12488 
   559.99131    477.49953    471.23133    463.89198    441.66410    432.17518 
   420.03764    405.23851    398.52237    388.16155    366.93049    364.40204 
   353.12447    345.25763    324.14201    323.89956    318.97869    315.86854 
   305.41202    287.27568    280.07837    271.84008    265.83713    261.83989 
   257.65825    253.36556    244.68620    239.91236    233.83579    228.37986 
   225.46779    213.01847    211.15264    210.03733    202.83129    198.78617 
   195.21861    191.69537    186.54394    178.79787    170.67828    168.14225 
   165.80411    160.71074    153.98149    151.07279    148.29411    142.36965 
   136.87977    134.53044    131.03549    127.71520    125.57705    124.25286 
   119.42817    118.00250    116.22426    112.91520    110.47006    105.73003 
   102.83974    100.68480     97.22168     95.00738     91.58146     90.38384 
    87.70283     84.43186     80.91163     78.98984     78.73815     73.14170 
    71.20655     69.74751     67.52178     63.69673     62.41083     59.66001 
    58.44685     55.83895     53.69173     52.37518     50.28202     48.04571 
    43.83522     39.68810     37.81548     36.09429     34.50588     29.94073 
    29.03484     28.69479     23.66558     21.86528     19.64032     16.47481 
    13.95041     12.79963     11.85030      9.33492      7.54449      4.75260 
overlap for current and previous eigenvector    109 is         0.9999933295
overlap for current and previous eigenvector    110 is         0.9999898689
overlap for current and previous eigenvector    111 is         0.9999881759
overlap for current and previous eigenvector    112 is         0.9999996438
overlap for current and previous eigenvector    113 is        -0.9999992988
overlap for current and previous eigenvector    114 is         0.9999991276
J1,K1,R1,R2,RAT=   7   7    0.8354620062E-02     1.991481014        0.9914810139    
FOB,PFOB,DIAG,PSTEP=    0.2919736060E-06    0.2944336897E-06     717.0132200       -0.4106728871E-09
J1,K1,R1,R2,RAT=   8   8   -0.4374003026E-01     2.043680126        0.9562599697    
FOB,PFOB,DIAG,PSTEP=   -0.2332960204E-06   -0.2235189997E-06     669.8147647        0.3337127017E-09
J1,K1,R1,R2,RAT=   9   9   -0.9869720897E-02     2.009782986        0.9901302791    
FOB,PFOB,DIAG,PSTEP=    0.4617378756E-06    0.4572249968E-06     622.3424180       -0.7347158303E-09
J1,K1,R1,R2,RAT=  10  10   -0.5382718489E-02     2.005308856        0.9946172815    
FOB,PFOB,DIAG,PSTEP=    0.1129737383E-05    0.1123688660E-05     602.5547464       -0.1864942841E-08
J1,K1,R1,R2,RAT=  11  11   -0.3004381239E-02     2.002987596        0.9969956188    
FOB,PFOB,DIAG,PSTEP=   -0.8664454775E-06   -0.8638501207E-06     589.5552848        0.1465269489E-08
J1,K1,R1,R2,RAT= 109 109   -0.8791328985E-02     2.009142029        0.9912086710    
FOB,PFOB,DIAG,PSTEP=    0.4714531685E-04    0.4673453025E-04     13.95040849       -0.3349460111E-05
J1,K1,R1,R2,RAT= 110 110   -0.3074677132E-01     2.031566581        0.9692532287    
FOB,PFOB,DIAG,PSTEP=   -0.1799112715E-04   -0.1745467223E-04     12.79963312        0.1363126602E-05
J1,K1,R1,R2,RAT= 111 111   -0.1350377577E-01     2.014536968        0.9864962242    
FOB,PFOB,DIAG,PSTEP=   -0.6601166177E-04   -0.6513258015E-04     11.85030183        0.5493442379E-05
J1,K1,R1,R2,RAT= 112 112   -0.9059282503E-03     2.000484495        0.9990940717    
FOB,PFOB,DIAG,PSTEP=    0.2835712839E-04    0.2833145672E-04     9.334924454       -0.3035635481E-05
J1,K1,R1,R2,RAT= 113 113     19.06762599       -0.5726225468        0.4273774532    
FOB,PFOB,DIAG,PSTEP=    0.7408780342E-03   -0.6976765985E-03     7.544487362        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9994066967        -156.5729497        0.5933033229E-03
FOB,PFOB,DIAG,PSTEP=   -0.1497757785       -0.1478758651         4.752603247       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00001     -0.00000     -0.00000     -0.00001      0.00000      0.00001 
     0.00000      0.00001     -0.00001     -0.00000     -0.00000      0.00001 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00001     -0.00001     -0.00000      0.00002 
    -0.00002      0.00000      0.00001     -0.00001      0.00001      0.00001 
     0.00001      0.00002      0.00001      0.00000      0.00002      0.00001 
    -0.00000     -0.00001      0.00002      0.00001     -0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00002      0.00006      0.00002 
     0.00002      0.00003      0.00001     -0.00000     -0.00006     -0.00007 
     0.00005     -0.00002     -0.00007      0.00003      0.00074     -0.14978 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4347573852
 Log product of positive Hessian eigenvalues =          520.4901182055
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7526032471
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000039
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000097
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000014
 Unscaled step for mode   17=       -0.0000000013
 Unscaled step for mode   18=       -0.0000000055
 Unscaled step for mode   19=       -0.0000000105
 Unscaled step for mode   20=       -0.0000000156
 Unscaled step for mode   21=       -0.0000000076
 Unscaled step for mode   22=        0.0000000022
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000150
 Unscaled step for mode   26=       -0.0000000219
 Unscaled step for mode   27=       -0.0000000166
 Unscaled step for mode   28=       -0.0000000109
 Unscaled step for mode   29=        0.0000000122
 Unscaled step for mode   30=        0.0000000102
 Unscaled step for mode   31=        0.0000000026
 Unscaled step for mode   32=       -0.0000000010
 Unscaled step for mode   33=       -0.0000000096
 Unscaled step for mode   34=       -0.0000000043
 Unscaled step for mode   35=       -0.0000000294
 Unscaled step for mode   36=       -0.0000000037
 Unscaled step for mode   37=        0.0000000125
 Unscaled step for mode   38=        0.0000000078
 Unscaled step for mode   39=        0.0000000230
 Unscaled step for mode   40=       -0.0000000065
 Unscaled step for mode   41=       -0.0000000098
 Unscaled step for mode   42=        0.0000000050
 Unscaled step for mode   43=       -0.0000000046
 Unscaled step for mode   44=        0.0000000012
 Unscaled step for mode   45=       -0.0000000127
 Unscaled step for mode   46=        0.0000000103
 Unscaled step for mode   47=        0.0000000381
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000197
 Unscaled step for mode   50=        0.0000000179
 Unscaled step for mode   51=        0.0000000168
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000208
 Unscaled step for mode   54=        0.0000000061
 Unscaled step for mode   55=       -0.0000000401
 Unscaled step for mode   56=        0.0000000155
 Unscaled step for mode   57=        0.0000000072
 Unscaled step for mode   58=        0.0000000349
 Unscaled step for mode   59=       -0.0000000216
 Unscaled step for mode   60=       -0.0000000362
 Unscaled step for mode   61=       -0.0000000289
 Unscaled step for mode   62=       -0.0000000964
 Unscaled step for mode   63=        0.0000000622
 Unscaled step for mode   64=        0.0000000102
 Unscaled step for mode   65=        0.0000000128
 Unscaled step for mode   66=       -0.0000000687
 Unscaled step for mode   67=       -0.0000000060
 Unscaled step for mode   68=        0.0000000186
 Unscaled step for mode   69=        0.0000000075
 Unscaled step for mode   70=        0.0000000266
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=        0.0000000946
 Unscaled step for mode   73=        0.0000000259
 Unscaled step for mode   74=       -0.0000001257
 Unscaled step for mode   75=       -0.0000000671
 Unscaled step for mode   76=        0.0000001021
 Unscaled step for mode   77=        0.0000000010
 Unscaled step for mode   78=       -0.0000001936
 Unscaled step for mode   79=        0.0000002385
 Unscaled step for mode   80=       -0.0000000467
 Unscaled step for mode   81=       -0.0000000655
 Unscaled step for mode   82=        0.0000001191
 Unscaled step for mode   83=       -0.0000001108
 Unscaled step for mode   84=       -0.0000000844
 Unscaled step for mode   85=       -0.0000001930
 Unscaled step for mode   86=       -0.0000002518
 Unscaled step for mode   87=       -0.0000000909
 Unscaled step for mode   88=       -0.0000000157
 Unscaled step for mode   89=       -0.0000002424
 Unscaled step for mode   90=       -0.0000001135
 Unscaled step for mode   91=        0.0000000242
 Unscaled step for mode   92=        0.0000002587
 Unscaled step for mode   93=       -0.0000004271
 Unscaled step for mode   94=       -0.0000001633
 Unscaled step for mode   95=        0.0000004491
 Unscaled step for mode   96=       -0.0000001293
 Unscaled step for mode   97=        0.0000002725
 Unscaled step for mode   98=       -0.0000002292
 Unscaled step for mode   99=        0.0000003310
 Unscaled step for mode  100=        0.0000006071
 Unscaled step for mode  101=       -0.0000016874
 Unscaled step for mode  102=       -0.0000008308
 Unscaled step for mode  103=       -0.0000006644
 Unscaled step for mode  104=       -0.0000009627
 Unscaled step for mode  105=       -0.0000003605
 Unscaled step for mode  106=        0.0000001939
 Unscaled step for mode  107=        0.0000028649
 Unscaled step for mode  108=        0.0000044683
 Unscaled step for mode  109=       -0.0000033795
 Unscaled step for mode  110=        0.0000014056
 Unscaled step for mode  111=        0.0000055705
 Unscaled step for mode  112=       -0.0000030377
 Unscaled step for mode  113=       -0.0000982012
 Unscaled step for mode  114=       -0.0314832343
 Largest modulus ratio of non-zero e/values=           150.8674684    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.225406E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.111564E-15    0.100777E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.303475E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.332416E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.275631E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.937970E-16    0.973460E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.291974E-06    0.717013E+03 -0.407208E-09 0.100000E-04    0.991481E+00
   8   -0.233296E-06    0.669815E+03  0.348299E-09 0.100000E-04    0.956260E+00
   9    0.461738E-06    0.622342E+03 -0.741935E-09 0.100000E-04    0.990130E+00
  10    0.112974E-05    0.602555E+03 -0.187491E-08 0.100000E-04    0.994617E+00
  11   -0.866445E-06    0.589555E+03  0.146966E-08 0.100000E-04    0.996996E+00
  12    0.220573E-05    0.563125E+03 -0.391695E-08 0.100000E-04    0.994267E+00
  13    0.208761E-05    0.559991E+03 -0.372792E-08 0.100000E-04    0.999215E+00
  14   -0.462071E-05    0.477500E+03  0.967689E-08 0.100000E-04    0.994736E+00
  15    0.144402E-05    0.471231E+03 -0.306435E-08 0.100000E-04    0.996213E+00
  16    0.662065E-06    0.463892E+03 -0.142720E-08 0.100000E-04    0.984053E+00
  17    0.563565E-06    0.441664E+03 -0.127600E-08 0.100000E-04    0.981163E+00
  18    0.237008E-05    0.432175E+03 -0.548407E-08 0.100000E-04    0.992714E+00
  19    0.441070E-05    0.420038E+03 -0.105007E-07 0.100000E-04    0.990452E+00
  20    0.630421E-05    0.405239E+03 -0.155568E-07 0.100000E-04    0.993971E+00
  21    0.303124E-05    0.398522E+03 -0.760619E-08 0.100000E-04    0.989561E+00
  22   -0.842146E-06    0.388162E+03  0.216958E-08 0.100000E-04    0.991401E+00
  23   -0.194192E-05    0.366930E+03  0.529234E-08 0.100000E-04    0.998052E+00
  24    0.167726E-05    0.364402E+03 -0.460277E-08 0.100000E-04    0.995219E+00
  25   -0.529557E-05    0.353124E+03  0.149963E-07 0.100000E-04    0.990193E+00
  26    0.755562E-05    0.345258E+03 -0.218840E-07 0.100000E-04    0.988873E+00
  27    0.538647E-05    0.324142E+03 -0.166176E-07 0.100000E-04    0.979618E+00
  28    0.354153E-05    0.323900E+03 -0.109340E-07 0.100000E-04    0.981109E+00
  29   -0.388026E-05    0.318979E+03  0.121646E-07 0.100000E-04    0.983635E+00
  30   -0.321106E-05    0.315869E+03  0.101658E-07 0.100000E-04    0.990020E+00
  31   -0.794143E-06    0.305412E+03  0.260024E-08 0.100000E-04    0.976648E+00
  32    0.300876E-06    0.287276E+03 -0.104734E-08 0.100000E-04    0.976206E+00
  33    0.268203E-05    0.280078E+03 -0.957600E-08 0.100000E-04    0.989489E+00
  34    0.117421E-05    0.271840E+03 -0.431949E-08 0.100000E-04    0.989759E+00
  35    0.780985E-05    0.265837E+03 -0.293783E-07 0.100000E-04    0.989187E+00
  36    0.959741E-06    0.261840E+03 -0.366537E-08 0.100000E-04    0.982573E+00
  37   -0.323106E-05    0.257658E+03  0.125401E-07 0.100000E-04    0.988374E+00
  38   -0.198653E-05    0.253366E+03  0.784055E-08 0.100000E-04    0.991284E+00
  39   -0.562371E-05    0.244686E+03  0.229834E-07 0.100000E-04    0.988457E+00
  40    0.155789E-05    0.239912E+03 -0.649359E-08 0.100000E-04    0.974558E+00
  41    0.228098E-05    0.233836E+03 -0.975462E-08 0.100000E-04    0.979963E+00
  42   -0.114057E-05    0.228380E+03  0.499418E-08 0.100000E-04    0.981945E+00
  43    0.104028E-05    0.225468E+03 -0.461386E-08 0.100000E-04    0.986637E+00
  44   -0.260545E-06    0.213018E+03  0.122311E-08 0.100000E-04    0.891308E+00
  45    0.267147E-05    0.211153E+03 -0.126519E-07 0.100000E-04    0.989253E+00
  46   -0.215572E-05    0.210037E+03  0.102635E-07 0.100000E-04    0.978707E+00
  47   -0.773553E-05    0.202831E+03  0.381378E-07 0.100000E-04    0.987629E+00
  48   -0.120942E-05    0.198786E+03  0.608402E-08 0.100000E-04    0.999952E+00
  49    0.384321E-05    0.195219E+03 -0.196867E-07 0.100000E-04    0.985882E+00
  50   -0.342769E-05    0.191695E+03  0.178809E-07 0.100000E-04    0.989232E+00
  51   -0.313192E-05    0.186544E+03  0.167892E-07 0.100000E-04    0.988742E+00
  52    0.447509E-06    0.178798E+03 -0.250288E-08 0.100000E-04    0.996653E+00
  53   -0.355204E-05    0.170678E+03  0.208113E-07 0.100000E-04    0.989755E+00
  54   -0.103255E-05    0.168142E+03  0.614091E-08 0.100000E-04    0.977328E+00
  55    0.664369E-05    0.165804E+03 -0.400695E-07 0.100000E-04    0.989285E+00
  56   -0.248752E-05    0.160711E+03  0.154782E-07 0.100000E-04    0.989763E+00
  57   -0.111001E-05    0.153981E+03  0.720871E-08 0.100000E-04    0.991391E+00
  58   -0.526812E-05    0.151073E+03  0.348714E-07 0.100000E-04    0.989864E+00
  59    0.320005E-05    0.148294E+03 -0.215790E-07 0.100000E-04    0.987540E+00
  60    0.516040E-05    0.142370E+03 -0.362465E-07 0.100000E-04    0.987722E+00
  61    0.395062E-05    0.136880E+03 -0.288620E-07 0.100000E-04    0.988430E+00
  62    0.129684E-04    0.134530E+03 -0.963976E-07 0.100000E-04    0.989931E+00
  63   -0.814600E-05    0.131035E+03  0.621664E-07 0.100000E-04    0.989464E+00
  64   -0.129678E-05    0.127715E+03  0.101537E-07 0.100000E-04    0.984191E+00
  65   -0.161234E-05    0.125577E+03  0.128394E-07 0.100000E-04    0.996464E+00
  66    0.853776E-05    0.124253E+03 -0.687128E-07 0.100000E-04    0.988684E+00
  67    0.715248E-06    0.119428E+03 -0.598894E-08 0.100000E-04    0.992935E+00
  68   -0.219015E-05    0.118002E+03  0.185602E-07 0.100000E-04    0.987494E+00
  69   -0.867425E-06    0.116224E+03  0.746337E-08 0.100000E-04    0.992753E+00
  70   -0.300700E-05    0.112915E+03  0.266306E-07 0.100000E-04    0.980281E+00
  71   -0.231824E-06    0.110470E+03  0.209852E-08 0.100000E-04    0.990559E+00
  72   -0.100010E-04    0.105730E+03  0.945896E-07 0.100000E-04    0.987536E+00
  73   -0.266418E-05    0.102840E+03  0.259062E-07 0.100000E-04    0.978294E+00
  74    0.126518E-04    0.100685E+03 -0.125657E-06 0.100000E-04    0.988687E+00
  75    0.652363E-05    0.972217E+02 -0.671006E-07 0.100000E-04    0.984273E+00
  76   -0.969765E-05    0.950074E+02  0.102073E-06 0.100000E-04    0.987485E+00
  77   -0.938473E-07    0.915815E+02  0.102474E-08 0.100000E-04    0.969469E+00
  78    0.175001E-04    0.903838E+02 -0.193619E-06 0.100000E-04    0.987022E+00
  79   -0.209208E-04    0.877028E+02  0.238542E-06 0.100000E-04    0.990150E+00
  80    0.394075E-05    0.844319E+02 -0.466738E-07 0.100000E-04    0.984640E+00
  81    0.530248E-05    0.809116E+02 -0.655342E-07 0.100000E-04    0.986762E+00
  82   -0.940809E-05    0.789898E+02  0.119105E-06 0.100000E-04    0.983690E+00
  83    0.872544E-05    0.787381E+02 -0.110816E-06 0.100000E-04    0.998679E+00
  84    0.617579E-05    0.731417E+02 -0.844360E-07 0.100000E-04    0.986007E+00
  85    0.137436E-04    0.712065E+02 -0.193010E-06 0.100000E-04    0.989251E+00
  86    0.175631E-04    0.697475E+02 -0.251809E-06 0.100000E-04    0.988597E+00
  87    0.614100E-05    0.675218E+02 -0.909485E-07 0.100000E-04    0.996577E+00
  88    0.100063E-05    0.636967E+02 -0.157092E-07 0.100000E-04    0.995824E+00
  89    0.151286E-04    0.624108E+02 -0.242403E-06 0.100000E-04    0.988510E+00
  90    0.677287E-05    0.596600E+02 -0.113524E-06 0.100000E-04    0.986971E+00
  91   -0.141480E-05    0.584468E+02  0.242065E-07 0.100000E-04    0.997682E+00
  92   -0.144462E-04    0.558390E+02  0.258713E-06 0.100000E-04    0.985067E+00
  93    0.229342E-04    0.536917E+02 -0.427145E-06 0.100000E-04    0.990051E+00
  94    0.855432E-05    0.523752E+02 -0.163328E-06 0.100000E-04    0.985325E+00
  95   -0.225815E-04    0.502820E+02  0.449096E-06 0.100000E-04    0.991000E+00
  96    0.621289E-05    0.480457E+02 -0.129312E-06 0.100000E-04    0.991409E+00
  97   -0.119438E-04    0.438352E+02  0.272471E-06 0.100000E-04    0.987946E+00
  98    0.909587E-05    0.396881E+02 -0.229184E-06 0.100000E-04    0.989783E+00
  99   -0.125175E-04    0.378155E+02  0.331015E-06 0.100000E-04    0.981970E+00
 100   -0.219146E-04    0.360943E+02  0.607147E-06 0.100000E-04    0.990441E+00
 101    0.582241E-04    0.345059E+02 -0.168737E-05 0.100000E-04    0.988216E+00
 102    0.248754E-04    0.299407E+02 -0.830821E-06 0.100000E-04    0.990353E+00
 103    0.192897E-04    0.290348E+02 -0.664365E-06 0.100000E-04    0.988561E+00
 104    0.276252E-04    0.286948E+02 -0.962724E-06 0.100000E-04    0.990521E+00
 105    0.853186E-05    0.236656E+02 -0.360518E-06 0.100000E-04    0.978210E+00
 106   -0.424024E-05    0.218653E+02  0.193926E-06 0.100000E-04    0.998979E+00
 107   -0.562666E-04    0.196403E+02  0.286485E-05 0.100000E-04    0.987104E+00
 108   -0.736140E-04    0.164748E+02  0.446828E-05 0.100000E-04    0.993665E+00
 109    0.471453E-04    0.139504E+02 -0.337949E-05 0.100000E-04    0.991209E+00
 110   -0.179911E-04    0.127996E+02  0.140560E-05 0.100000E-04    0.969253E+00
 111   -0.660117E-04    0.118503E+02  0.557046E-05 0.100000E-04    0.986496E+00
 112    0.283571E-04    0.933492E+01 -0.303775E-05 0.100000E-04    0.999094E+00
 113    0.740878E-03    0.754449E+01 -0.100000E-04 0.100000E-04    0.427377E+00
 114   -0.149776E+00    0.475260E+01 -0.400000E-03 0.400000E-03    0.593303E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3148323432E-01

 Beginning of optimization cycle   59.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4006428467
 potential> RMS force:                                               0.0142060053   |gradient|=.1516786305    
 Eigenvalues of the Hessian matrix:
   717.07216    669.83478    622.36930    602.57685    589.56013    563.14837 
   560.02884    477.51335    471.20948    463.87933    441.66002    432.16380 
   420.04510    405.24899    398.51899    388.16733    366.93034    364.39138 
   353.11342    345.21699    324.11187    323.90355    318.97390    315.88911 
   305.41119    287.27642    280.07558    271.83233    265.83482    261.84554 
   257.65758    253.36564    244.67024    239.90226    233.84451    228.38267 
   225.44958    213.01050    211.14942    210.03688    202.83277    198.78092 
   195.22174    191.69342    186.54198    178.78306    170.67778    168.14266 
   165.80277    160.70874    153.97451    151.07229    148.30107    142.37465 
   136.88056    134.53426    131.03511    127.71461    125.58043    124.26108 
   119.42770    118.00099    116.22840    112.90907    110.46431    105.72606 
   102.83896    100.68068     97.22235     95.00820     91.57474     90.38859 
    87.71354     84.43246     80.91062     78.99132     78.73838     73.13894 
    71.20966     69.73921     67.52566     63.69152     62.40803     59.66014 
    58.44990     55.83826     53.69115     52.37327     50.28274     48.04502 
    43.83084     39.69130     37.80766     36.09704     34.51127     29.93098 
    29.03365     28.69531     23.65993     21.86599     19.63767     16.47929 
    13.94798     12.79440     11.84411      9.33689      7.54589      4.75471 
overlap for current and previous eigenvector    109 is         0.9999934000
overlap for current and previous eigenvector    110 is         0.9999898225
overlap for current and previous eigenvector    111 is        -0.9999880664
overlap for current and previous eigenvector    112 is        -0.9999996433
overlap for current and previous eigenvector    113 is        -0.9999992993
overlap for current and previous eigenvector    114 is         0.9999991317
J1,K1,R1,R2,RAT=   7   7    0.8743002358E-02     1.991092603        0.9910926026    
FOB,PFOB,DIAG,PSTEP=    0.2894206702E-06    0.2919736060E-06     717.0721616       -0.4072081209E-09
J1,K1,R1,R2,RAT=   8   8   -0.4225745308E-01     2.042197697        0.9577425469    
FOB,PFOB,DIAG,PSTEP=   -0.2431548106E-06   -0.2332960204E-06     669.8347780        0.3482993100E-09
J1,K1,R1,R2,RAT=   9   9   -0.9728461198E-02     2.009642091        0.9902715388    
FOB,PFOB,DIAG,PSTEP=    0.4662300686E-06    0.4617378756E-06     622.3692950       -0.7419354077E-09
J1,K1,R1,R2,RAT=  10  10   -0.5314909608E-02     2.005241543        0.9946850904    
FOB,PFOB,DIAG,PSTEP=    0.1135742055E-05    0.1129737383E-05     602.5768509       -0.1874912429E-08
J1,K1,R1,R2,RAT=  11  11   -0.2958976419E-02     2.002942546        0.9970410236    
FOB,PFOB,DIAG,PSTEP=   -0.8690092903E-06   -0.8664454775E-06     589.5601282        0.1469659419E-08
J1,K1,R1,R2,RAT= 109 109   -0.8639127929E-02     2.008986991        0.9913608721    
FOB,PFOB,DIAG,PSTEP=    0.4755254044E-04    0.4714531685E-04     13.94798250       -0.3379493645E-05
J1,K1,R1,R2,RAT= 110 110   -0.3042998210E-01     2.031247767        0.9695700179    
FOB,PFOB,DIAG,PSTEP=   -0.1853837306E-04   -0.1799112715E-04     12.79440159        0.1405597096E-05
J1,K1,R1,R2,RAT= 111 111     2.014335862       -0.1329030795E-01    0.9867096920    
FOB,PFOB,DIAG,PSTEP=    0.6688851869E-04   -0.6601166177E-04     11.84411000        0.5570462485E-05
J1,K1,R1,R2,RAT= 112 112     2.000216139       -0.6372335270E-03    0.9993627665    
FOB,PFOB,DIAG,PSTEP=   -0.2837520231E-04    0.2835712839E-04     9.336890309       -0.3037745890E-05
J1,K1,R1,R2,RAT= 113 113     20.22377110       -0.5871713056        0.4128286944    
FOB,PFOB,DIAG,PSTEP=   -0.7851853305E-03    0.7408780342E-03     7.545889228       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9993930817        -158.5019857        0.6069183010E-03
FOB,PFOB,DIAG,PSTEP=   -0.1516765076       -0.1497757785         4.754708353       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
     0.00000     -0.00001      0.00001      0.00000     -0.00000      0.00001 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00001 
     0.00000     -0.00001      0.00001      0.00001     -0.00000     -0.00002 
     0.00002      0.00000      0.00001      0.00001     -0.00001      0.00001 
    -0.00001      0.00002      0.00001      0.00000     -0.00002      0.00001 
    -0.00000     -0.00001     -0.00002     -0.00001     -0.00002     -0.00001 
     0.00001      0.00001      0.00001      0.00002      0.00006     -0.00003 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00006     -0.00007 
     0.00005     -0.00002      0.00007     -0.00003     -0.00079     -0.15168 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4348304721
 Log product of positive Hessian eigenvalues =          520.4890855641
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7547083528
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000039
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000097
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000014
 Unscaled step for mode   17=       -0.0000000013
 Unscaled step for mode   18=       -0.0000000055
 Unscaled step for mode   19=       -0.0000000106
 Unscaled step for mode   20=       -0.0000000156
 Unscaled step for mode   21=       -0.0000000077
 Unscaled step for mode   22=        0.0000000022
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000151
 Unscaled step for mode   26=       -0.0000000221
 Unscaled step for mode   27=       -0.0000000170
 Unscaled step for mode   28=       -0.0000000106
 Unscaled step for mode   29=        0.0000000124
 Unscaled step for mode   30=        0.0000000103
 Unscaled step for mode   31=        0.0000000027
 Unscaled step for mode   32=       -0.0000000010
 Unscaled step for mode   33=       -0.0000000097
 Unscaled step for mode   34=       -0.0000000044
 Unscaled step for mode   35=       -0.0000000297
 Unscaled step for mode   36=       -0.0000000037
 Unscaled step for mode   37=        0.0000000127
 Unscaled step for mode   38=        0.0000000079
 Unscaled step for mode   39=        0.0000000232
 Unscaled step for mode   40=       -0.0000000067
 Unscaled step for mode   41=       -0.0000000099
 Unscaled step for mode   42=        0.0000000051
 Unscaled step for mode   43=       -0.0000000047
 Unscaled step for mode   44=        0.0000000013
 Unscaled step for mode   45=       -0.0000000128
 Unscaled step for mode   46=        0.0000000105
 Unscaled step for mode   47=        0.0000000386
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000200
 Unscaled step for mode   50=        0.0000000181
 Unscaled step for mode   51=        0.0000000170
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000210
 Unscaled step for mode   54=        0.0000000063
 Unscaled step for mode   55=       -0.0000000405
 Unscaled step for mode   56=       -0.0000000156
 Unscaled step for mode   57=        0.0000000073
 Unscaled step for mode   58=        0.0000000352
 Unscaled step for mode   59=       -0.0000000218
 Unscaled step for mode   60=        0.0000000367
 Unscaled step for mode   61=       -0.0000000292
 Unscaled step for mode   62=        0.0000000974
 Unscaled step for mode   63=       -0.0000000628
 Unscaled step for mode   64=       -0.0000000103
 Unscaled step for mode   65=        0.0000000129
 Unscaled step for mode   66=       -0.0000000695
 Unscaled step for mode   67=        0.0000000060
 Unscaled step for mode   68=       -0.0000000188
 Unscaled step for mode   69=       -0.0000000074
 Unscaled step for mode   70=       -0.0000000272
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=       -0.0000000958
 Unscaled step for mode   73=       -0.0000000265
 Unscaled step for mode   74=        0.0000001271
 Unscaled step for mode   75=       -0.0000000681
 Unscaled step for mode   76=       -0.0000001033
 Unscaled step for mode   77=        0.0000000011
 Unscaled step for mode   78=        0.0000001961
 Unscaled step for mode   79=       -0.0000002408
 Unscaled step for mode   80=       -0.0000000474
 Unscaled step for mode   81=       -0.0000000664
 Unscaled step for mode   82=       -0.0000001210
 Unscaled step for mode   83=        0.0000001106
 Unscaled step for mode   84=       -0.0000000856
 Unscaled step for mode   85=        0.0000001951
 Unscaled step for mode   86=       -0.0000002547
 Unscaled step for mode   87=       -0.0000000912
 Unscaled step for mode   88=       -0.0000000156
 Unscaled step for mode   89=        0.0000002452
 Unscaled step for mode   90=       -0.0000001150
 Unscaled step for mode   91=        0.0000000241
 Unscaled step for mode   92=        0.0000002625
 Unscaled step for mode   93=        0.0000004313
 Unscaled step for mode   94=        0.0000001657
 Unscaled step for mode   95=        0.0000004531
 Unscaled step for mode   96=        0.0000001304
 Unscaled step for mode   97=       -0.0000002757
 Unscaled step for mode   98=       -0.0000002315
 Unscaled step for mode   99=       -0.0000003370
 Unscaled step for mode  100=       -0.0000006128
 Unscaled step for mode  101=       -0.0000017067
 Unscaled step for mode  102=        0.0000008390
 Unscaled step for mode  103=        0.0000006719
 Unscaled step for mode  104=        0.0000009717
 Unscaled step for mode  105=        0.0000003683
 Unscaled step for mode  106=       -0.0000001941
 Unscaled step for mode  107=        0.0000029017
 Unscaled step for mode  108=        0.0000044945
 Unscaled step for mode  109=       -0.0000034093
 Unscaled step for mode  110=        0.0000014489
 Unscaled step for mode  111=       -0.0000056474
 Unscaled step for mode  112=        0.0000030390
 Unscaled step for mode  113=        0.0001040547
 Unscaled step for mode  114=       -0.0318678790
 Largest modulus ratio of non-zero e/values=           150.8130696    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.248608E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.189410E-15    0.100777E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.374890E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.134458E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.451895E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.744169E-16    0.973462E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.289421E-06    0.717072E+03 -0.403614E-09 0.100000E-04    0.991093E+00
   8   -0.243155E-06    0.669835E+03  0.363007E-09 0.100000E-04    0.957743E+00
   9    0.466230E-06    0.622369E+03 -0.749121E-09 0.100000E-04    0.990272E+00
  10    0.113574E-05    0.602577E+03 -0.188481E-08 0.100000E-04    0.994685E+00
  11   -0.869009E-06    0.589560E+03  0.147400E-08 0.100000E-04    0.997041E+00
  12    0.221826E-05    0.563148E+03 -0.393903E-08 0.100000E-04    0.994320E+00
  13    0.208902E-05    0.560029E+03 -0.373021E-08 0.100000E-04    0.999321E+00
  14   -0.464467E-05    0.477513E+03  0.972678E-08 0.100000E-04    0.994815E+00
  15    0.144941E-05    0.471209E+03 -0.307594E-08 0.100000E-04    0.996265E+00
  16    0.672556E-06    0.463879E+03 -0.144985E-08 0.100000E-04    0.984155E+00
  17    0.574066E-06    0.441660E+03 -0.129979E-08 0.100000E-04    0.981365E+00
  18    0.238719E-05    0.432164E+03 -0.552381E-08 0.100000E-04    0.992781E+00
  19    0.445248E-05    0.420045E+03 -0.106000E-07 0.100000E-04    0.990528E+00
  20    0.634173E-05    0.405249E+03 -0.156490E-07 0.100000E-04    0.994048E+00
  21    0.306255E-05    0.398519E+03 -0.768483E-08 0.100000E-04    0.989669E+00
  22   -0.834633E-06    0.388167E+03  0.215019E-08 0.100000E-04    0.991049E+00
  23   -0.194553E-05    0.366930E+03  0.530217E-08 0.100000E-04    0.998143E+00
  24    0.168511E-05    0.364391E+03 -0.462444E-08 0.100000E-04    0.995321E+00
  25   -0.534708E-05    0.353113E+03  0.151427E-07 0.100000E-04    0.990273E+00
  26    0.763906E-05    0.345217E+03 -0.221283E-07 0.100000E-04    0.988955E+00
  27    0.551439E-05    0.324112E+03 -0.170138E-07 0.100000E-04    0.976251E+00
  28    0.343641E-05    0.323904E+03 -0.106094E-07 0.100000E-04    0.970294E+00
  29   -0.394327E-05    0.318974E+03  0.123624E-07 0.100000E-04    0.983761E+00
  30   -0.324314E-05    0.315889E+03  0.102667E-07 0.100000E-04    0.990009E+00
  31   -0.812464E-06    0.305411E+03  0.266023E-08 0.100000E-04    0.976930E+00
  32    0.293367E-06    0.287276E+03 -0.102120E-08 0.100000E-04    0.975035E+00
  33    0.270998E-05    0.280076E+03 -0.967588E-08 0.100000E-04    0.989579E+00
  34    0.118620E-05    0.271832E+03 -0.436372E-08 0.100000E-04    0.989789E+00
  35    0.789351E-05    0.265835E+03 -0.296933E-07 0.100000E-04    0.989287E+00
  36    0.976424E-06    0.261846E+03 -0.372901E-08 0.100000E-04    0.982618E+00
  37   -0.326834E-05    0.257658E+03  0.126848E-07 0.100000E-04    0.988462E+00
  38   -0.200366E-05    0.253366E+03  0.790818E-08 0.100000E-04    0.991374E+00
  39   -0.568800E-05    0.244670E+03  0.232476E-07 0.100000E-04    0.988568E+00
  40    0.159707E-05    0.239902E+03 -0.665717E-08 0.100000E-04    0.974851E+00
  41    0.232628E-05    0.233845E+03 -0.994796E-08 0.100000E-04    0.980142E+00
  42   -0.116096E-05    0.228383E+03  0.508339E-08 0.100000E-04    0.982124E+00
  43    0.105412E-05    0.225450E+03 -0.467564E-08 0.100000E-04    0.986691E+00
  44   -0.286668E-06    0.213011E+03  0.134579E-08 0.100000E-04    0.899734E+00
  45    0.269942E-05    0.211149E+03 -0.127844E-07 0.100000E-04    0.989540E+00
  46   -0.220154E-05    0.210037E+03  0.104817E-07 0.100000E-04    0.978743E+00
  47   -0.783035E-05    0.202833E+03  0.386050E-07 0.100000E-04    0.987742E+00
  48   -0.120909E-05    0.198781E+03  0.608255E-08 0.100000E-04    0.999731E+00
  49    0.389701E-05    0.195222E+03 -0.199620E-07 0.100000E-04    0.986001E+00
  50   -0.346421E-05    0.191693E+03  0.180716E-07 0.100000E-04    0.989344E+00
  51   -0.316685E-05    0.186542E+03  0.169766E-07 0.100000E-04    0.988848E+00
  52    0.448927E-06    0.178783E+03 -0.251102E-08 0.100000E-04    0.996831E+00
  53   -0.358801E-05    0.170678E+03  0.210221E-07 0.100000E-04    0.989875E+00
  54   -0.105572E-05    0.168143E+03  0.627872E-08 0.100000E-04    0.977557E+00
  55    0.671411E-05    0.165803E+03 -0.404946E-07 0.100000E-04    0.989399E+00
  56    0.251270E-05    0.160709E+03 -0.156351E-07 0.100000E-04    0.989877E+00
  57   -0.111950E-05    0.153975E+03  0.727066E-08 0.100000E-04    0.991451E+00
  58   -0.532100E-05    0.151072E+03  0.352216E-07 0.100000E-04    0.989962E+00
  59    0.323945E-05    0.148301E+03 -0.218438E-07 0.100000E-04    0.987685E+00
  60   -0.522309E-05    0.142375E+03  0.366855E-07 0.100000E-04    0.987853E+00
  61    0.399593E-05    0.136881E+03 -0.291928E-07 0.100000E-04    0.988531E+00
  62   -0.130975E-04    0.134534E+03  0.973540E-07 0.100000E-04    0.990050E+00
  63    0.823088E-05    0.131035E+03 -0.628143E-07 0.100000E-04    0.989580E+00
  64    0.131719E-05    0.127715E+03 -0.103135E-07 0.100000E-04    0.984263E+00
  65   -0.161763E-05    0.125580E+03  0.128812E-07 0.100000E-04    0.996719E+00
  66    0.863338E-05    0.124261E+03 -0.694778E-07 0.100000E-04    0.988801E+00
  67   -0.720262E-06    0.119428E+03  0.603094E-08 0.100000E-04    0.992989E+00
  68    0.221729E-05    0.118001E+03 -0.187904E-07 0.100000E-04    0.987612E+00
  69    0.860858E-06    0.116228E+03 -0.740661E-08 0.100000E-04    0.992358E+00
  70    0.306558E-05    0.112909E+03 -0.271509E-07 0.100000E-04    0.980519E+00
  71   -0.229456E-06    0.110464E+03  0.207720E-08 0.100000E-04    0.989785E+00
  72    0.101244E-04    0.105726E+03 -0.957610E-07 0.100000E-04    0.987654E+00
  73    0.272139E-05    0.102839E+03 -0.264626E-07 0.100000E-04    0.978528E+00
  74   -0.127931E-04    0.100681E+03  0.127067E-06 0.100000E-04    0.988824E+00
  75    0.662541E-05    0.972224E+02 -0.681469E-07 0.100000E-04    0.984400E+00
  76    0.981773E-05    0.950082E+02 -0.103336E-06 0.100000E-04    0.987617E+00
  77   -0.966904E-07    0.915747E+02  0.105586E-08 0.100000E-04    0.969703E+00
  78   -0.177249E-04    0.903886E+02  0.196097E-06 0.100000E-04    0.987153E+00
  79    0.211236E-04    0.877135E+02 -0.240825E-06 0.100000E-04    0.990306E+00
  80    0.400070E-05    0.844325E+02 -0.473834E-07 0.100000E-04    0.984789E+00
  81    0.537184E-05    0.809106E+02 -0.663922E-07 0.100000E-04    0.986920E+00
  82    0.955815E-05    0.789913E+02 -0.121002E-06 0.100000E-04    0.984051E+00
  83   -0.871196E-05    0.787384E+02  0.110644E-06 0.100000E-04    0.998449E+00
  84    0.626142E-05    0.731389E+02 -0.856100E-07 0.100000E-04    0.986134E+00
  85   -0.138896E-04    0.712097E+02  0.195053E-06 0.100000E-04    0.989372E+00
  86    0.177606E-04    0.697392E+02 -0.254672E-06 0.100000E-04    0.988750E+00
  87    0.616059E-05    0.675257E+02 -0.912333E-07 0.100000E-04    0.996810E+00
  88    0.995614E-06    0.636915E+02 -0.156318E-07 0.100000E-04    0.994990E+00
  89   -0.153004E-04    0.624080E+02  0.245167E-06 0.100000E-04    0.988642E+00
  90    0.686008E-05    0.596601E+02 -0.114986E-06 0.100000E-04    0.987123E+00
  91   -0.141126E-05    0.584499E+02  0.241448E-07 0.100000E-04    0.997397E+00
  92   -0.146597E-04    0.558383E+02  0.262538E-06 0.100000E-04    0.985225E+00
  93   -0.231587E-04    0.536911E+02  0.431331E-06 0.100000E-04    0.990211E+00
  94   -0.867856E-05    0.523733E+02  0.165706E-06 0.100000E-04    0.985476E+00
  95   -0.227812E-04    0.502827E+02  0.453063E-06 0.100000E-04    0.991153E+00
  96   -0.626543E-05    0.480450E+02  0.130408E-06 0.100000E-04    0.991543E+00
  97    0.120860E-04    0.438308E+02 -0.275742E-06 0.100000E-04    0.988095E+00
  98    0.918767E-05    0.396913E+02 -0.231478E-06 0.100000E-04    0.989908E+00
  99    0.127413E-04    0.378077E+02 -0.337003E-06 0.100000E-04    0.982116E+00
 100    0.221208E-04    0.360970E+02 -0.612816E-06 0.100000E-04    0.990588E+00
 101    0.589003E-04    0.345113E+02 -0.170670E-05 0.100000E-04    0.988388E+00
 102   -0.251123E-04    0.299310E+02  0.839008E-06 0.100000E-04    0.990472E+00
 103   -0.195074E-04    0.290336E+02  0.671889E-06 0.100000E-04    0.988716E+00
 104   -0.278826E-04    0.286953E+02  0.971678E-06 0.100000E-04    0.990681E+00
 105   -0.871493E-05    0.236599E+02  0.368341E-06 0.100000E-04    0.978538E+00
 106    0.424348E-05    0.218660E+02 -0.194067E-06 0.100000E-04    0.999236E+00
 107   -0.569820E-04    0.196377E+02  0.290167E-05 0.100000E-04    0.987284E+00
 108   -0.740667E-04    0.164793E+02  0.449453E-05 0.100000E-04    0.993853E+00
 109    0.475525E-04    0.139480E+02 -0.340928E-05 0.100000E-04    0.991361E+00
 110   -0.185384E-04    0.127944E+02  0.144894E-05 0.100000E-04    0.969570E+00
 111    0.668885E-04    0.118441E+02 -0.564741E-05 0.100000E-04    0.986710E+00
 112   -0.283752E-04    0.933689E+01  0.303904E-05 0.100000E-04    0.999363E+00
 113   -0.785185E-03    0.754589E+01  0.100000E-04 0.100000E-04    0.412829E+00
 114   -0.151677E+00    0.475471E+01 -0.400000E-03 0.400000E-03    0.606918E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3186787905E-01

 Beginning of optimization cycle   60.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4005818039
 potential> RMS force:                                               0.0143841199   |gradient|=.1535803739    
 Eigenvalues of the Hessian matrix:
   717.13112    669.85474    622.39606    602.59881    589.56487    563.17180 
   560.06640    477.52722    471.18763    463.86670    441.65597    432.15243 
   420.05258    405.25948    398.51560    388.17309    366.93021    364.38073 
   353.10241    345.17635    324.08222    323.90719    318.96901    315.90963 
   305.41033    287.27718    280.07277    271.82460    265.83254    261.85124 
   257.65698    253.36575    244.65431    239.89213    233.85328    228.38548 
   225.43136    213.00263    211.14636    210.03622    202.83427    198.77567 
   195.22487    191.69151    186.53993    178.76824    170.67733    168.14303 
   165.80142    160.70672    153.96757    151.07180    148.30803    142.37964 
   136.88134    134.53809    131.03473    127.71401    125.58381    124.26927 
   119.42726    117.99950    116.23253    112.90290    110.45850    105.72210 
   102.83820    100.67655     97.22299     95.00902     91.56803     90.39337 
    87.72427     84.43306     80.90964     78.99287     78.73854     73.13616 
    71.21278     69.73089     67.52954     63.68636     62.40517     59.66026 
    58.45295     55.83759     53.69053     52.37137     50.28345     48.04433 
    43.82645     39.69450     37.79983     36.09977     34.51670     29.92124 
    29.03245     28.69583     23.65429     21.86672     19.63509     16.48373 
    13.94558     12.78919     11.83785      9.33885      7.54728      4.75678 
overlap for current and previous eigenvector    109 is        -0.9999934707
overlap for current and previous eigenvector    110 is         0.9999897792
overlap for current and previous eigenvector    111 is         0.9999879612
overlap for current and previous eigenvector    112 is         0.9999996428
overlap for current and previous eigenvector    113 is        -0.9999992998
overlap for current and previous eigenvector    114 is        -0.9999991359
J1,K1,R1,R2,RAT=   7   7    0.9141971662E-02     1.990693605        0.9906936048    
FOB,PFOB,DIAG,PSTEP=    0.2867745771E-06    0.2894206702E-06     717.1311182       -0.4036144278E-09
J1,K1,R1,R2,RAT=   8   8   -0.4087863855E-01     2.040819031        0.9591213614    
FOB,PFOB,DIAG,PSTEP=   -0.2530949444E-06   -0.2431548106E-06     669.8547421        0.3630071453E-09
J1,K1,R1,R2,RAT=   9   9   -0.9589561895E-02     2.009503555        0.9904104381    
FOB,PFOB,DIAG,PSTEP=    0.4707012030E-06    0.4662300686E-06     622.3960601       -0.7491212570E-09
J1,K1,R1,R2,RAT=  10  10   -0.5247995132E-02     2.005175123        0.9947520049    
FOB,PFOB,DIAG,PSTEP=    0.1141702641E-05    0.1135742055E-05     602.5988072       -0.1884808641E-08
J1,K1,R1,R2,RAT=  11  11   -0.2914568886E-02     2.002898492        0.9970854311    
FOB,PFOB,DIAG,PSTEP=   -0.8715420981E-06   -0.8690092903E-06     589.5648673        0.1473996033E-08
J1,K1,R1,R2,RAT= 109 109     2.008835835       -0.8490814844E-02    0.9915091852    
FOB,PFOB,DIAG,PSTEP=   -0.4795623062E-04    0.4755254044E-04     13.94557675       -0.3409277323E-05
J1,K1,R1,R2,RAT= 110 110   -0.3011321253E-01     2.030928828        0.9698867875    
FOB,PFOB,DIAG,PSTEP=   -0.1909639546E-04   -0.1853837306E-04     12.78918606        0.1448944129E-05
J1,K1,R1,R2,RAT= 111 111   -0.1308064633E-01     2.014138665        0.9869193537    
FOB,PFOB,DIAG,PSTEP=    0.6776300113E-04    0.6688851869E-04     11.83784767       -0.5647407756E-05
J1,K1,R1,R2,RAT= 112 112   -0.3713579055E-03     1.999950609        0.9996286421    
FOB,PFOB,DIAG,PSTEP=   -0.2838574189E-04   -0.2837520231E-04     9.338854965        0.3039042055E-05
J1,K1,R1,R2,RAT= 113 113     21.40869934       -0.6015802352        0.3984197648    
FOB,PFOB,DIAG,PSTEP=    0.8305882499E-03   -0.7851853305E-03     7.547275781        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -160.4314365        0.9993791382        0.6208617870E-03
FOB,PFOB,DIAG,PSTEP=    0.1535780365       -0.1516765076         4.756775709       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00000      0.00001 
     0.00000     -0.00001     -0.00001     -0.00000      0.00000      0.00001 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00001 
    -0.00000      0.00001      0.00001     -0.00001      0.00000     -0.00002 
    -0.00002     -0.00000     -0.00001      0.00001      0.00001      0.00001 
     0.00001     -0.00002      0.00001      0.00000      0.00002      0.00001 
     0.00000      0.00001     -0.00002      0.00001     -0.00002     -0.00001 
    -0.00001      0.00001     -0.00001      0.00002      0.00006     -0.00003 
     0.00002     -0.00003      0.00001     -0.00000     -0.00006      0.00007 
    -0.00005     -0.00002      0.00007     -0.00003      0.00083      0.15358 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4349028704
 Log product of positive Hessian eigenvalues =          520.4880407651
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7567757090
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000040
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000098
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000015
 Unscaled step for mode   17=       -0.0000000013
 Unscaled step for mode   18=       -0.0000000056
 Unscaled step for mode   19=       -0.0000000107
 Unscaled step for mode   20=       -0.0000000157
 Unscaled step for mode   21=       -0.0000000078
 Unscaled step for mode   22=        0.0000000021
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000153
 Unscaled step for mode   26=       -0.0000000224
 Unscaled step for mode   27=       -0.0000000175
 Unscaled step for mode   28=       -0.0000000101
 Unscaled step for mode   29=        0.0000000126
 Unscaled step for mode   30=        0.0000000104
 Unscaled step for mode   31=        0.0000000027
 Unscaled step for mode   32=       -0.0000000010
 Unscaled step for mode   33=       -0.0000000098
 Unscaled step for mode   34=       -0.0000000044
 Unscaled step for mode   35=       -0.0000000300
 Unscaled step for mode   36=       -0.0000000038
 Unscaled step for mode   37=        0.0000000128
 Unscaled step for mode   38=        0.0000000080
 Unscaled step for mode   39=        0.0000000235
 Unscaled step for mode   40=       -0.0000000068
 Unscaled step for mode   41=       -0.0000000101
 Unscaled step for mode   42=        0.0000000052
 Unscaled step for mode   43=       -0.0000000047
 Unscaled step for mode   44=        0.0000000015
 Unscaled step for mode   45=       -0.0000000129
 Unscaled step for mode   46=        0.0000000107
 Unscaled step for mode   47=        0.0000000391
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000202
 Unscaled step for mode   50=        0.0000000183
 Unscaled step for mode   51=        0.0000000172
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000212
 Unscaled step for mode   54=       -0.0000000064
 Unscaled step for mode   55=       -0.0000000409
 Unscaled step for mode   56=        0.0000000158
 Unscaled step for mode   57=       -0.0000000073
 Unscaled step for mode   58=       -0.0000000356
 Unscaled step for mode   59=       -0.0000000221
 Unscaled step for mode   60=       -0.0000000371
 Unscaled step for mode   61=       -0.0000000295
 Unscaled step for mode   62=        0.0000000983
 Unscaled step for mode   63=        0.0000000635
 Unscaled step for mode   64=        0.0000000105
 Unscaled step for mode   65=       -0.0000000129
 Unscaled step for mode   66=       -0.0000000702
 Unscaled step for mode   67=       -0.0000000061
 Unscaled step for mode   68=       -0.0000000190
 Unscaled step for mode   69=        0.0000000073
 Unscaled step for mode   70=        0.0000000277
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=       -0.0000000969
 Unscaled step for mode   73=        0.0000000270
 Unscaled step for mode   74=       -0.0000001285
 Unscaled step for mode   75=       -0.0000000692
 Unscaled step for mode   76=        0.0000001046
 Unscaled step for mode   77=       -0.0000000011
 Unscaled step for mode   78=        0.0000001986
 Unscaled step for mode   79=        0.0000002431
 Unscaled step for mode   80=        0.0000000481
 Unscaled step for mode   81=        0.0000000673
 Unscaled step for mode   82=       -0.0000001229
 Unscaled step for mode   83=       -0.0000001104
 Unscaled step for mode   84=       -0.0000000868
 Unscaled step for mode   85=       -0.0000001971
 Unscaled step for mode   86=        0.0000002575
 Unscaled step for mode   87=       -0.0000000915
 Unscaled step for mode   88=       -0.0000000155
 Unscaled step for mode   89=       -0.0000002479
 Unscaled step for mode   90=       -0.0000001164
 Unscaled step for mode   91=       -0.0000000241
 Unscaled step for mode   92=       -0.0000002664
 Unscaled step for mode   93=        0.0000004355
 Unscaled step for mode   94=       -0.0000001681
 Unscaled step for mode   95=        0.0000004570
 Unscaled step for mode   96=        0.0000001315
 Unscaled step for mode   97=        0.0000002790
 Unscaled step for mode   98=       -0.0000002338
 Unscaled step for mode   99=        0.0000003431
 Unscaled step for mode  100=       -0.0000006184
 Unscaled step for mode  101=       -0.0000017260
 Unscaled step for mode  102=        0.0000008472
 Unscaled step for mode  103=       -0.0000006794
 Unscaled step for mode  104=        0.0000009806
 Unscaled step for mode  105=       -0.0000003762
 Unscaled step for mode  106=        0.0000001942
 Unscaled step for mode  107=        0.0000029384
 Unscaled step for mode  108=       -0.0000045201
 Unscaled step for mode  109=        0.0000034388
 Unscaled step for mode  110=        0.0000014932
 Unscaled step for mode  111=       -0.0000057243
 Unscaled step for mode  112=        0.0000030395
 Unscaled step for mode  113=       -0.0001100514
 Unscaled step for mode  114=        0.0322525781
 Largest modulus ratio of non-zero e/values=           150.7599185    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.372640E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.711128E-15    0.100777E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.363986E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.186916E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.339986E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.535379E-15    0.973463E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.286775E-06    0.717131E+03 -0.399891E-09 0.100000E-04    0.990694E+00
   8   -0.253095E-06    0.669855E+03  0.377836E-09 0.100000E-04    0.959121E+00
   9    0.470701E-06    0.622396E+03 -0.756273E-09 0.100000E-04    0.990410E+00
  10    0.114170E-05    0.602599E+03 -0.189463E-08 0.100000E-04    0.994752E+00
  11   -0.871542E-06    0.589565E+03  0.147828E-08 0.100000E-04    0.997085E+00
  12    0.223074E-05    0.563172E+03 -0.396103E-08 0.100000E-04    0.994373E+00
  13    0.209022E-05    0.560066E+03 -0.373209E-08 0.100000E-04    0.999428E+00
  14   -0.466838E-05    0.477527E+03  0.977616E-08 0.100000E-04    0.994894E+00
  15    0.145475E-05    0.471188E+03 -0.308742E-08 0.100000E-04    0.996316E+00
  16    0.683144E-06    0.463867E+03 -0.147272E-08 0.100000E-04    0.984255E+00
  17    0.584650E-06    0.441656E+03 -0.132377E-08 0.100000E-04    0.981563E+00
  18    0.240426E-05    0.432152E+03 -0.556346E-08 0.100000E-04    0.992848E+00
  19    0.449433E-05    0.420053E+03 -0.106994E-07 0.100000E-04    0.990602E+00
  20    0.637899E-05    0.405259E+03 -0.157405E-07 0.100000E-04    0.994125E+00
  21    0.309386E-05    0.398516E+03 -0.776347E-08 0.100000E-04    0.989776E+00
  22   -0.826886E-06    0.388173E+03  0.213020E-08 0.100000E-04    0.990688E+00
  23   -0.194896E-05    0.366930E+03  0.531153E-08 0.100000E-04    0.998234E+00
  24    0.169282E-05    0.364381E+03 -0.464574E-08 0.100000E-04    0.995422E+00
  25   -0.539867E-05    0.353102E+03  0.152892E-07 0.100000E-04    0.990352E+00
  26    0.772280E-05    0.345176E+03 -0.223735E-07 0.100000E-04    0.989036E+00
  27    0.567176E-05    0.324082E+03 -0.175010E-07 0.100000E-04    0.971459E+00
  28    0.327254E-05    0.323907E+03 -0.101033E-07 0.100000E-04    0.952291E+00
  29   -0.400681E-05    0.318969E+03  0.125618E-07 0.100000E-04    0.983886E+00
  30   -0.327559E-05    0.315910E+03  0.103688E-07 0.100000E-04    0.989995E+00
  31   -0.830984E-06    0.305410E+03  0.272088E-08 0.100000E-04    0.977205E+00
  32    0.285680E-06    0.287277E+03 -0.994439E-09 0.100000E-04    0.973791E+00
  33    0.273798E-05    0.280073E+03 -0.977595E-08 0.100000E-04    0.989668E+00
  34    0.119828E-05    0.271825E+03 -0.440827E-08 0.100000E-04    0.989819E+00
  35    0.797729E-05    0.265833E+03 -0.300087E-07 0.100000E-04    0.989386E+00
  36    0.993353E-06    0.261851E+03 -0.379358E-08 0.100000E-04    0.982662E+00
  37   -0.330577E-05    0.257657E+03  0.128301E-07 0.100000E-04    0.988548E+00
  38   -0.202077E-05    0.253366E+03  0.797570E-08 0.100000E-04    0.991462E+00
  39   -0.575240E-05    0.244654E+03  0.235123E-07 0.100000E-04    0.988677E+00
  40    0.163678E-05    0.239892E+03 -0.682296E-08 0.100000E-04    0.975138E+00
  41    0.237206E-05    0.233853E+03 -0.101434E-07 0.100000E-04    0.980318E+00
  42   -0.118151E-05    0.228385E+03  0.517331E-08 0.100000E-04    0.982300E+00
  43    0.106809E-05    0.225431E+03 -0.473800E-08 0.100000E-04    0.986744E+00
  44   -0.313374E-06    0.213003E+03  0.147122E-08 0.100000E-04    0.906834E+00
  45    0.272688E-05    0.211146E+03 -0.129147E-07 0.100000E-04    0.989824E+00
  46   -0.224824E-05    0.210036E+03  0.107040E-07 0.100000E-04    0.978790E+00
  47   -0.792547E-05    0.202834E+03  0.390736E-07 0.100000E-04    0.987853E+00
  48   -0.120850E-05    0.198776E+03  0.607973E-08 0.100000E-04    0.999510E+00
  49    0.395110E-05    0.195225E+03 -0.202387E-07 0.100000E-04    0.986119E+00
  50   -0.350075E-05    0.191692E+03  0.182624E-07 0.100000E-04    0.989454E+00
  51   -0.320184E-05    0.186540E+03  0.171644E-07 0.100000E-04    0.988950E+00
  52    0.450270E-06    0.178768E+03 -0.251874E-08 0.100000E-04    0.997007E+00
  53   -0.362391E-05    0.170677E+03  0.212325E-07 0.100000E-04    0.989993E+00
  54    0.107918E-05    0.168143E+03 -0.641820E-08 0.100000E-04    0.977782E+00
  55    0.678454E-05    0.165801E+03 -0.409197E-07 0.100000E-04    0.989511E+00
  56   -0.253785E-05    0.160707E+03  0.157918E-07 0.100000E-04    0.989988E+00
  57    0.112900E-05    0.153968E+03 -0.733272E-08 0.100000E-04    0.991509E+00
  58    0.537391E-05    0.151072E+03 -0.355719E-07 0.100000E-04    0.990057E+00
  59    0.327889E-05    0.148308E+03 -0.221086E-07 0.100000E-04    0.987828E+00
  60    0.528587E-05    0.142380E+03 -0.371252E-07 0.100000E-04    0.987981E+00
  61    0.404137E-05    0.136881E+03 -0.295246E-07 0.100000E-04    0.988630E+00
  62   -0.132262E-04    0.134538E+03  0.983085E-07 0.100000E-04    0.990167E+00
  63   -0.831571E-05    0.131035E+03  0.634619E-07 0.100000E-04    0.989694E+00
  64   -0.133783E-05    0.127714E+03  0.104752E-07 0.100000E-04    0.984332E+00
  65    0.162252E-05    0.125584E+03 -0.129198E-07 0.100000E-04    0.996973E+00
  66    0.872907E-05    0.124269E+03 -0.702432E-07 0.100000E-04    0.988917E+00
  67    0.725275E-06    0.119427E+03 -0.607294E-08 0.100000E-04    0.993040E+00
  68    0.224450E-05    0.118000E+03 -0.190212E-07 0.100000E-04    0.987728E+00
  69   -0.853996E-06    0.116233E+03  0.734730E-08 0.100000E-04    0.991958E+00
  70   -0.312458E-05    0.112903E+03  0.276750E-07 0.100000E-04    0.980751E+00
  71   -0.226928E-06    0.110459E+03  0.205442E-08 0.100000E-04    0.988982E+00
  72    0.102482E-04    0.105722E+03 -0.969357E-07 0.100000E-04    0.987770E+00
  73   -0.277919E-05    0.102838E+03  0.270249E-07 0.100000E-04    0.978758E+00
  74    0.129344E-04    0.100677E+03 -0.128475E-06 0.100000E-04    0.988959E+00
  75    0.672794E-05    0.972230E+02 -0.692011E-07 0.100000E-04    0.984524E+00
  76   -0.993802E-05    0.950090E+02  0.104601E-06 0.100000E-04    0.987747E+00
  77    0.995999E-07    0.915680E+02 -0.108772E-08 0.100000E-04    0.969906E+00
  78   -0.179503E-04    0.903934E+02  0.198580E-06 0.100000E-04    0.987282E+00
  79   -0.213252E-04    0.877243E+02  0.243094E-06 0.100000E-04    0.990458E+00
  80   -0.406097E-05    0.844331E+02  0.480969E-07 0.100000E-04    0.984934E+00
  81   -0.544127E-05    0.809096E+02  0.672512E-07 0.100000E-04    0.987074E+00
  82    0.970713E-05    0.789929E+02 -0.122886E-06 0.100000E-04    0.984413E+00
  83    0.869662E-05    0.787385E+02 -0.110449E-06 0.100000E-04    0.998235E+00
  84    0.634745E-05    0.731362E+02 -0.867895E-07 0.100000E-04    0.986259E+00
  85    0.140356E-04    0.712128E+02 -0.197094E-06 0.100000E-04    0.989491E+00
  86   -0.179577E-04    0.697309E+02  0.257529E-06 0.100000E-04    0.988900E+00
  87    0.617881E-05    0.675295E+02 -0.914979E-07 0.100000E-04    0.997043E+00
  88    0.989780E-06    0.636864E+02 -0.155415E-07 0.100000E-04    0.994139E+00
  89    0.154722E-04    0.624052E+02 -0.247931E-06 0.100000E-04    0.988771E+00
  90    0.694739E-05    0.596603E+02 -0.116449E-06 0.100000E-04    0.987273E+00
  91    0.140733E-05    0.584529E+02 -0.240764E-07 0.100000E-04    0.997113E+00
  92    0.148740E-04    0.558376E+02 -0.266380E-06 0.100000E-04    0.985381E+00
  93   -0.233817E-04    0.536905E+02  0.435491E-06 0.100000E-04    0.990367E+00
  94    0.880332E-05    0.523714E+02 -0.168094E-06 0.100000E-04    0.985624E+00
  95   -0.229794E-04    0.502834E+02  0.456997E-06 0.100000E-04    0.991303E+00
  96   -0.631760E-05    0.480443E+02  0.131495E-06 0.100000E-04    0.991674E+00
  97   -0.122281E-04    0.438265E+02  0.279012E-06 0.100000E-04    0.988242E+00
  98    0.927928E-05    0.396945E+02 -0.233767E-06 0.100000E-04    0.990031E+00
  99   -0.129673E-04    0.377998E+02  0.343052E-06 0.100000E-04    0.982258E+00
 100    0.223258E-04    0.360998E+02 -0.618448E-06 0.100000E-04    0.990733E+00
 101    0.595744E-04    0.345167E+02 -0.172596E-05 0.100000E-04    0.988557E+00
 102   -0.253486E-04    0.299212E+02  0.847179E-06 0.100000E-04    0.990587E+00
 103    0.197245E-04    0.290325E+02 -0.679396E-06 0.100000E-04    0.988868E+00
 104   -0.281381E-04    0.286958E+02  0.980564E-06 0.100000E-04    0.990837E+00
 105    0.889914E-05    0.236543E+02 -0.376217E-06 0.100000E-04    0.978858E+00
 106   -0.424564E-05    0.218667E+02  0.194160E-06 0.100000E-04    0.999490E+00
 107   -0.576965E-04    0.196351E+02  0.293844E-05 0.100000E-04    0.987461E+00
 108    0.745084E-04    0.164837E+02 -0.452012E-05 0.100000E-04    0.994037E+00
 109   -0.479562E-04    0.139456E+02  0.343881E-05 0.100000E-04    0.991509E+00
 110   -0.190964E-04    0.127892E+02  0.149317E-05 0.100000E-04    0.969887E+00
 111    0.677630E-04    0.118378E+02 -0.572427E-05 0.100000E-04    0.986919E+00
 112   -0.283857E-04    0.933885E+01  0.303953E-05 0.100000E-04    0.999629E+00
 113    0.830588E-03    0.754728E+01 -0.100000E-04 0.100000E-04    0.398420E+00
 114    0.153578E+00    0.475678E+01  0.400000E-03 0.400000E-03    0.620862E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3225257814E-01

 Beginning of optimization cycle   61.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4005200007
 potential> RMS force:                                               0.0145623093   |gradient|=.1554829155    
 Eigenvalues of the Hessian matrix:
   717.19009    669.87466    622.42271    602.62062    589.56950    563.19518 
   560.10398    477.54114    471.16576    463.85410    441.65194    432.14108 
   420.06007    405.26999    398.51221    388.17881    366.93012    364.37009 
   353.09142    345.13571    324.05333    323.91022    318.96403    315.93010 
   305.40945    287.27797    280.06993    271.81688    265.83031    261.85700 
   257.65644    253.36589    244.63841    239.88199    233.86210    228.38829 
   225.41313    212.99486    211.14346    210.03535    202.83578    198.77043 
   195.22802    191.68962    186.53779    178.75342    170.67694    168.14336 
   165.80007    160.70467    153.96065    151.07130    148.31501    142.38461 
   136.88211    134.54195    131.03434    127.71341    125.58719    124.27745 
   119.42683    117.99804    116.23666    112.89671    110.45264    105.71814 
   102.83746    100.67241     97.22360     95.00984     91.56132     90.39817 
    87.73503     84.43369     80.90868     78.99447     78.73864     73.13339 
    71.21589     69.72257     67.53341     63.68124     62.40225     59.66037 
    58.45600     55.83693     53.68988     52.36949     50.28414     48.04365 
    43.82206     39.69769     37.79200     36.10248     34.52217     29.91151 
    29.03126     28.69635     23.64864     21.86745     19.63258     16.48813 
    13.94319     12.78399     11.83151      9.34082      7.54865      4.75881 
overlap for current and previous eigenvector    109 is         0.9999935416
overlap for current and previous eigenvector    110 is         0.9999897392
overlap for current and previous eigenvector    111 is         0.9999878606
overlap for current and previous eigenvector    112 is         0.9999996423
overlap for current and previous eigenvector    113 is         0.9999993002
overlap for current and previous eigenvector    114 is         0.9999991400
J1,K1,R1,R2,RAT=   7   7    0.9554087473E-02     1.990281461        0.9902814609    
FOB,PFOB,DIAG,PSTEP=    0.2840344824E-06    0.2867745771E-06     717.1900897       -0.3998914143E-09
J1,K1,R1,R2,RAT=   8   8   -0.3959308985E-01     2.039533631        0.9604069102    
FOB,PFOB,DIAG,PSTEP=   -0.2631160532E-06   -0.2530949444E-06     669.8746571        0.3778355642E-09
J1,K1,R1,R2,RAT=   9   9   -0.9452145031E-02     2.009366501        0.9905478550    
FOB,PFOB,DIAG,PSTEP=    0.4751505295E-06    0.4707012030E-06     622.4227137       -0.7562727869E-09
J1,K1,R1,R2,RAT=  10  10   -0.5182002153E-02     2.005109624        0.9948179978    
FOB,PFOB,DIAG,PSTEP=    0.1147619161E-05    0.1141702641E-05     602.6206156       -0.1894631433E-08
J1,K1,R1,R2,RAT=  11  11   -0.2870497862E-02     2.002854773        0.9971295021    
FOB,PFOB,DIAG,PSTEP=   -0.8740438775E-06   -0.8715420981E-06     589.5695027        0.1478280248E-08
J1,K1,R1,R2,RAT= 109 109   -0.8346194830E-02     2.008688367        0.9916538052    
FOB,PFOB,DIAG,PSTEP=   -0.4835641420E-04   -0.4795623062E-04     13.94319126        0.3438813000E-05
J1,K1,R1,R2,RAT= 110 110   -0.2979689210E-01     2.030610195        0.9702031079    
FOB,PFOB,DIAG,PSTEP=   -0.1966517740E-04   -0.1909639546E-04     12.78398743        0.1493167382E-05
J1,K1,R1,R2,RAT= 111 111   -0.1287463864E-01     2.013945223        0.9871253614    
FOB,PFOB,DIAG,PSTEP=    0.6863495853E-04    0.6776300113E-04     11.83151435       -0.5724267031E-05
J1,K1,R1,R2,RAT= 112 112   -0.1078270513E-03     1.999687430        0.9996874300    
FOB,PFOB,DIAG,PSTEP=   -0.2838880328E-04   -0.2838574189E-04     9.340818392        0.3039531291E-05
J1,K1,R1,R2,RAT= 113 113   -0.6158485327         22.62212974        0.3841514673    
FOB,PFOB,DIAG,PSTEP=    0.8770764820E-03    0.8305882499E-03     7.548647062       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9993648754        -162.3613289        0.6351245823E-03
FOB,PFOB,DIAG,PSTEP=    0.1554803497        0.1535780365         4.758805381        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00000     -0.00001 
    -0.00000     -0.00001      0.00001     -0.00000     -0.00000      0.00001 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00001 
     0.00000     -0.00001     -0.00001     -0.00001      0.00000      0.00002 
    -0.00002      0.00000      0.00001      0.00001      0.00001     -0.00001 
    -0.00001     -0.00002      0.00001     -0.00000     -0.00002      0.00001 
    -0.00000      0.00002     -0.00002      0.00001      0.00002      0.00001 
     0.00001      0.00001      0.00001     -0.00002     -0.00006     -0.00003 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00006      0.00007 
    -0.00005     -0.00002      0.00007     -0.00003      0.00088      0.15548 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4349745784
 Log product of positive Hessian eigenvalues =          520.4869838368
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7588053815
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000040
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000098
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000015
 Unscaled step for mode   17=       -0.0000000013
 Unscaled step for mode   18=       -0.0000000056
 Unscaled step for mode   19=       -0.0000000108
 Unscaled step for mode   20=       -0.0000000158
 Unscaled step for mode   21=       -0.0000000078
 Unscaled step for mode   22=        0.0000000021
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000154
 Unscaled step for mode   26=       -0.0000000226
 Unscaled step for mode   27=       -0.0000000181
 Unscaled step for mode   28=       -0.0000000093
 Unscaled step for mode   29=        0.0000000128
 Unscaled step for mode   30=        0.0000000105
 Unscaled step for mode   31=        0.0000000028
 Unscaled step for mode   32=       -0.0000000010
 Unscaled step for mode   33=       -0.0000000099
 Unscaled step for mode   34=       -0.0000000045
 Unscaled step for mode   35=       -0.0000000303
 Unscaled step for mode   36=       -0.0000000039
 Unscaled step for mode   37=        0.0000000130
 Unscaled step for mode   38=        0.0000000080
 Unscaled step for mode   39=        0.0000000238
 Unscaled step for mode   40=       -0.0000000070
 Unscaled step for mode   41=       -0.0000000103
 Unscaled step for mode   42=        0.0000000053
 Unscaled step for mode   43=       -0.0000000048
 Unscaled step for mode   44=        0.0000000016
 Unscaled step for mode   45=       -0.0000000130
 Unscaled step for mode   46=        0.0000000109
 Unscaled step for mode   47=        0.0000000395
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000205
 Unscaled step for mode   50=        0.0000000185
 Unscaled step for mode   51=        0.0000000174
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000214
 Unscaled step for mode   54=       -0.0000000066
 Unscaled step for mode   55=       -0.0000000413
 Unscaled step for mode   56=        0.0000000159
 Unscaled step for mode   57=       -0.0000000074
 Unscaled step for mode   58=       -0.0000000359
 Unscaled step for mode   59=       -0.0000000224
 Unscaled step for mode   60=        0.0000000376
 Unscaled step for mode   61=        0.0000000299
 Unscaled step for mode   62=        0.0000000993
 Unscaled step for mode   63=       -0.0000000641
 Unscaled step for mode   64=        0.0000000106
 Unscaled step for mode   65=        0.0000000130
 Unscaled step for mode   66=       -0.0000000710
 Unscaled step for mode   67=       -0.0000000061
 Unscaled step for mode   68=        0.0000000193
 Unscaled step for mode   69=       -0.0000000073
 Unscaled step for mode   70=        0.0000000282
 Unscaled step for mode   71=       -0.0000000020
 Unscaled step for mode   72=       -0.0000000981
 Unscaled step for mode   73=       -0.0000000276
 Unscaled step for mode   74=        0.0000001299
 Unscaled step for mode   75=        0.0000000703
 Unscaled step for mode   76=        0.0000001059
 Unscaled step for mode   77=       -0.0000000011
 Unscaled step for mode   78=       -0.0000002011
 Unscaled step for mode   79=        0.0000002453
 Unscaled step for mode   80=       -0.0000000488
 Unscaled step for mode   81=       -0.0000000681
 Unscaled step for mode   82=       -0.0000001248
 Unscaled step for mode   83=       -0.0000001102
 Unscaled step for mode   84=        0.0000000880
 Unscaled step for mode   85=        0.0000001991
 Unscaled step for mode   86=        0.0000002604
 Unscaled step for mode   87=       -0.0000000917
 Unscaled step for mode   88=        0.0000000154
 Unscaled step for mode   89=        0.0000002507
 Unscaled step for mode   90=       -0.0000001179
 Unscaled step for mode   91=        0.0000000240
 Unscaled step for mode   92=       -0.0000002702
 Unscaled step for mode   93=        0.0000004396
 Unscaled step for mode   94=       -0.0000001705
 Unscaled step for mode   95=       -0.0000004609
 Unscaled step for mode   96=       -0.0000001326
 Unscaled step for mode   97=       -0.0000002823
 Unscaled step for mode   98=       -0.0000002361
 Unscaled step for mode   99=       -0.0000003492
 Unscaled step for mode  100=        0.0000006240
 Unscaled step for mode  101=        0.0000017451
 Unscaled step for mode  102=        0.0000008553
 Unscaled step for mode  103=        0.0000006869
 Unscaled step for mode  104=        0.0000009894
 Unscaled step for mode  105=        0.0000003841
 Unscaled step for mode  106=       -0.0000001942
 Unscaled step for mode  107=        0.0000029751
 Unscaled step for mode  108=       -0.0000045451
 Unscaled step for mode  109=        0.0000034681
 Unscaled step for mode  110=        0.0000015383
 Unscaled step for mode  111=       -0.0000058010
 Unscaled step for mode  112=        0.0000030392
 Unscaled step for mode  113=       -0.0001161899
 Unscaled step for mode  114=        0.0326373365
 Largest modulus ratio of non-zero e/values=           150.7080102    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.608671E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.234188E-16    0.100776E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.556801E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.342174E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.748723E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.215485E-17    0.973464E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.284034E-06    0.717190E+03 -0.396038E-09 0.100000E-04    0.990281E+00
   8   -0.263116E-06    0.669875E+03  0.392784E-09 0.100000E-04    0.960407E+00
   9    0.475151E-06    0.622423E+03 -0.763389E-09 0.100000E-04    0.990548E+00
  10    0.114762E-05    0.602621E+03 -0.190438E-08 0.100000E-04    0.994818E+00
  11   -0.874044E-06    0.589570E+03  0.148251E-08 0.100000E-04    0.997130E+00
  12    0.224318E-05    0.563195E+03 -0.398295E-08 0.100000E-04    0.994424E+00
  13    0.209119E-05    0.560104E+03 -0.373358E-08 0.100000E-04    0.999534E+00
  14   -0.469186E-05    0.477541E+03  0.982504E-08 0.100000E-04    0.994972E+00
  15    0.146004E-05    0.471166E+03 -0.309878E-08 0.100000E-04    0.996366E+00
  16    0.693832E-06    0.463854E+03 -0.149580E-08 0.100000E-04    0.984355E+00
  17    0.595315E-06    0.441652E+03 -0.134793E-08 0.100000E-04    0.981758E+00
  18    0.242130E-05    0.432141E+03 -0.560303E-08 0.100000E-04    0.992914E+00
  19    0.453624E-05    0.420060E+03 -0.107990E-07 0.100000E-04    0.990675E+00
  20    0.641599E-05    0.405270E+03 -0.158314E-07 0.100000E-04    0.994200E+00
  21    0.312517E-05    0.398512E+03 -0.784209E-08 0.100000E-04    0.989882E+00
  22   -0.818905E-06    0.388179E+03  0.210961E-08 0.100000E-04    0.990319E+00
  23   -0.195223E-05    0.366930E+03  0.532044E-08 0.100000E-04    0.998324E+00
  24    0.170040E-05    0.364370E+03 -0.466668E-08 0.100000E-04    0.995522E+00
  25   -0.545033E-05    0.353091E+03  0.154360E-07 0.100000E-04    0.990430E+00
  26    0.780684E-05    0.345136E+03 -0.226196E-07 0.100000E-04    0.989116E+00
  27    0.587220E-05    0.324053E+03 -0.181211E-07 0.100000E-04    0.964656E+00
  28    0.300939E-05    0.323910E+03 -0.929080E-08 0.100000E-04    0.919570E+00
  29   -0.407088E-05    0.318964E+03  0.127628E-07 0.100000E-04    0.984011E+00
  30   -0.330842E-05    0.315930E+03  0.104720E-07 0.100000E-04    0.989978E+00
  31   -0.849704E-06    0.305409E+03  0.278218E-08 0.100000E-04    0.977473E+00
  32    0.277815E-06    0.287278E+03 -0.967060E-09 0.100000E-04    0.972466E+00
  33    0.276603E-05    0.280070E+03 -0.987620E-08 0.100000E-04    0.989755E+00
  34    0.121044E-05    0.271817E+03 -0.445316E-08 0.100000E-04    0.989847E+00
  35    0.806119E-05    0.265830E+03 -0.303246E-07 0.100000E-04    0.989483E+00
  36    0.101053E-05    0.261857E+03 -0.385910E-08 0.100000E-04    0.982707E+00
  37   -0.334335E-05    0.257656E+03  0.129760E-07 0.100000E-04    0.988633E+00
  38   -0.203785E-05    0.253366E+03  0.804310E-08 0.100000E-04    0.991548E+00
  39   -0.581690E-05    0.244638E+03  0.237776E-07 0.100000E-04    0.988785E+00
  40    0.167701E-05    0.239882E+03 -0.699097E-08 0.100000E-04    0.975418E+00
  41    0.241834E-05    0.233862E+03 -0.103409E-07 0.100000E-04    0.980490E+00
  42   -0.120222E-05    0.228388E+03  0.526392E-08 0.100000E-04    0.982473E+00
  43    0.108220E-05    0.225413E+03 -0.480094E-08 0.100000E-04    0.986796E+00
  44   -0.340667E-06    0.212995E+03  0.159941E-08 0.100000E-04    0.912904E+00
  45    0.275387E-05    0.211143E+03 -0.130426E-07 0.100000E-04    0.990104E+00
  46   -0.229579E-05    0.210035E+03  0.109305E-07 0.100000E-04    0.978848E+00
  47   -0.802088E-05    0.202836E+03  0.395437E-07 0.100000E-04    0.987962E+00
  48   -0.120764E-05    0.198770E+03  0.607556E-08 0.100000E-04    0.999289E+00
  49    0.400550E-05    0.195228E+03 -0.205170E-07 0.100000E-04    0.986234E+00
  50   -0.353728E-05    0.191690E+03  0.184532E-07 0.100000E-04    0.989563E+00
  51   -0.323690E-05    0.186538E+03  0.173525E-07 0.100000E-04    0.989051E+00
  52    0.451538E-06    0.178753E+03 -0.252604E-08 0.100000E-04    0.997184E+00
  53   -0.365975E-05    0.170677E+03  0.214426E-07 0.100000E-04    0.990109E+00
  54    0.110291E-05    0.168143E+03 -0.655937E-08 0.100000E-04    0.978004E+00
  55    0.685496E-05    0.165800E+03 -0.413448E-07 0.100000E-04    0.989620E+00
  56   -0.256298E-05    0.160705E+03  0.159484E-07 0.100000E-04    0.990098E+00
  57    0.113853E-05    0.153961E+03 -0.739492E-08 0.100000E-04    0.991563E+00
  58    0.542684E-05    0.151071E+03 -0.359224E-07 0.100000E-04    0.990151E+00
  59    0.331834E-05    0.148315E+03 -0.223736E-07 0.100000E-04    0.987969E+00
  60   -0.534874E-05    0.142385E+03  0.375654E-07 0.100000E-04    0.988106E+00
  61   -0.408693E-05    0.136882E+03  0.298573E-07 0.100000E-04    0.988726E+00
  62   -0.133548E-04    0.134542E+03  0.992611E-07 0.100000E-04    0.990282E+00
  63    0.840049E-05    0.131034E+03 -0.641090E-07 0.100000E-04    0.989806E+00
  64   -0.135870E-05    0.127713E+03  0.106386E-07 0.100000E-04    0.984400E+00
  65   -0.162702E-05    0.125587E+03  0.129553E-07 0.100000E-04    0.997226E+00
  66    0.882484E-05    0.124277E+03 -0.710092E-07 0.100000E-04    0.989030E+00
  67    0.730288E-06    0.119427E+03 -0.611494E-08 0.100000E-04    0.993088E+00
  68   -0.227178E-05    0.117998E+03  0.192527E-07 0.100000E-04    0.987841E+00
  69    0.846840E-06    0.116237E+03 -0.728549E-08 0.100000E-04    0.991551E+00
  70   -0.318402E-05    0.112897E+03  0.282029E-07 0.100000E-04    0.980978E+00
  71    0.224239E-06    0.110453E+03 -0.203018E-08 0.100000E-04    0.988148E+00
  72    0.103724E-04    0.105718E+03 -0.981138E-07 0.100000E-04    0.987884E+00
  73    0.283760E-05    0.102837E+03 -0.275931E-07 0.100000E-04    0.978984E+00
  74   -0.130755E-04    0.100672E+03  0.129881E-06 0.100000E-04    0.989092E+00
  75   -0.683124E-05    0.972236E+02  0.702632E-07 0.100000E-04    0.984646E+00
  76   -0.100585E-04    0.950098E+02  0.105868E-06 0.100000E-04    0.987875E+00
  77    0.102580E-06    0.915613E+02 -0.112034E-08 0.100000E-04    0.970080E+00
  78    0.181764E-04    0.903982E+02 -0.201070E-06 0.100000E-04    0.987408E+00
  79   -0.215255E-04    0.877350E+02  0.245347E-06 0.100000E-04    0.990608E+00
  80    0.412157E-05    0.844337E+02 -0.488143E-07 0.100000E-04    0.985077E+00
  81    0.551077E-05    0.809087E+02 -0.681110E-07 0.100000E-04    0.987226E+00
  82    0.985491E-05    0.789945E+02 -0.124754E-06 0.100000E-04    0.984776E+00
  83    0.867959E-05    0.787386E+02 -0.110233E-06 0.100000E-04    0.998039E+00
  84   -0.643389E-05    0.731334E+02  0.879748E-07 0.100000E-04    0.986382E+00
  85   -0.141815E-04    0.712159E+02  0.199134E-06 0.100000E-04    0.989607E+00
  86   -0.181544E-04    0.697226E+02  0.260381E-06 0.100000E-04    0.989047E+00
  87    0.619566E-05    0.675334E+02 -0.917421E-07 0.100000E-04    0.997274E+00
  88   -0.983121E-06    0.636812E+02  0.154381E-07 0.100000E-04    0.993272E+00
  89   -0.156440E-04    0.624022E+02  0.250696E-06 0.100000E-04    0.988897E+00
  90    0.703480E-05    0.596604E+02 -0.117914E-06 0.100000E-04    0.987419E+00
  91   -0.140302E-05    0.584560E+02  0.240013E-07 0.100000E-04    0.996829E+00
  92    0.150892E-04    0.558369E+02 -0.270237E-06 0.100000E-04    0.985533E+00
  93   -0.236034E-04    0.536899E+02  0.439624E-06 0.100000E-04    0.990521E+00
  94    0.892860E-05    0.523695E+02 -0.170492E-06 0.100000E-04    0.985769E+00
  95    0.231759E-04    0.502841E+02 -0.460898E-06 0.100000E-04    0.991450E+00
  96    0.636939E-05    0.480436E+02 -0.132575E-06 0.100000E-04    0.991802E+00
  97    0.123701E-04    0.438221E+02 -0.282280E-06 0.100000E-04    0.988385E+00
  98    0.937069E-05    0.396977E+02 -0.236051E-06 0.100000E-04    0.990150E+00
  99    0.131956E-04    0.377920E+02 -0.349163E-06 0.100000E-04    0.982396E+00
 100   -0.225296E-04    0.361025E+02  0.624045E-06 0.100000E-04    0.990875E+00
 101   -0.602464E-04    0.345222E+02  0.174515E-05 0.100000E-04    0.988722E+00
 102   -0.255844E-04    0.299115E+02  0.855335E-06 0.100000E-04    0.990698E+00
 103   -0.199411E-04    0.290313E+02  0.686885E-06 0.100000E-04    0.989017E+00
 104   -0.283916E-04    0.286963E+02  0.989381E-06 0.100000E-04    0.990990E+00
 105   -0.908446E-05    0.236486E+02  0.384143E-06 0.100000E-04    0.979170E+00
 106    0.424673E-05    0.218674E+02 -0.194204E-06 0.100000E-04    0.999742E+00
 107   -0.584099E-04    0.196326E+02  0.297515E-05 0.100000E-04    0.987634E+00
 108    0.749394E-04    0.164881E+02 -0.454505E-05 0.100000E-04    0.994217E+00
 109   -0.483564E-04    0.139432E+02  0.346810E-05 0.100000E-04    0.991654E+00
 110   -0.196652E-04    0.127840E+02  0.153827E-05 0.100000E-04    0.970203E+00
 111    0.686350E-04    0.118315E+02 -0.580103E-05 0.100000E-04    0.987125E+00
 112   -0.283888E-04    0.934082E+01  0.303922E-05 0.100000E-04    0.999687E+00
 113    0.877076E-03    0.754865E+01 -0.100000E-04 0.100000E-04    0.384151E+00
 114    0.155480E+00    0.475881E+01  0.400000E-03 0.400000E-03    0.635125E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3263733653E-01

 Beginning of optimization cycle   62.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4004574370
 potential> RMS force:                                               0.0147405720   |gradient|=.1573862403    
 Eigenvalues of the Hessian matrix:
   717.24908    669.89452    622.44926    602.64228    589.57403    563.21850 
   560.14158    477.55511    471.14387    463.84152    441.64794    432.12975 
   420.06757    405.28051    398.50881    388.18451    366.93006    364.35945 
   353.08047    345.09507    324.02571    323.91213    318.95896    315.95052 
   305.40854    287.27878    280.06708    271.80919    265.82810    261.86280 
   257.65598    253.36607    244.62253    239.87182    233.87097    228.39110 
   225.39489    212.98717    211.14073    210.03426    202.83731    198.76520 
   195.23117    191.68776    186.53557    178.73860    170.67659    168.14365 
   165.79873    160.70259    153.95377    151.07081    148.32199    142.38956 
   136.88288    134.54582    131.03394    127.71281    125.59058    124.28560 
   119.42642    117.99659    116.24079    112.89048    110.44674    105.71418 
   102.83675    100.66827     97.22418     95.01067     91.55462     90.40299 
    87.74582     84.43432     80.90774     78.99614     78.73867     73.13060 
    71.21900     69.71424     67.53728     63.67618     62.39927     59.66048 
    58.45906     55.83629     53.68920     52.36761     50.28483     48.04297 
    43.81766     39.70087     37.78415     36.10517     34.52770     29.90179 
    29.03007     28.69686     23.64301     21.86818     19.63013     16.49250 
    13.94083     12.77881     11.82511      9.34278      7.55000      4.76080 
overlap for current and previous eigenvector    109 is         0.9999936125
overlap for current and previous eigenvector    110 is        -0.9999897026
overlap for current and previous eigenvector    111 is         0.9999877646
overlap for current and previous eigenvector    112 is         0.9999996417
overlap for current and previous eigenvector    113 is        -0.9999993006
overlap for current and previous eigenvector    114 is         0.9999991441
J1,K1,R1,R2,RAT=   7   7    0.9977457530E-02     1.989858063        0.9898580632    
FOB,PFOB,DIAG,PSTEP=    0.2812003073E-06    0.2840344824E-06     717.2490760       -0.3960379353E-09
J1,K1,R1,R2,RAT=   8   8   -0.3839152157E-01     2.038332212        0.9616084784    
FOB,PFOB,DIAG,PSTEP=   -0.2732177784E-06   -0.2631160532E-06     669.8945227        0.3927840088E-09
J1,K1,R1,R2,RAT=   9   9   -0.9317068381E-02     2.009231785        0.9906829316    
FOB,PFOB,DIAG,PSTEP=    0.4795777283E-06    0.4751505295E-06     622.4492561       -0.7633888017E-09
J1,K1,R1,R2,RAT=  10  10   -0.5116615932E-02     2.005044729        0.9948833841    
FOB,PFOB,DIAG,PSTEP=    0.1153491298E-05    0.1147619161E-05     602.6422766       -0.1904380851E-08
J1,K1,R1,R2,RAT=  11  11   -0.2827479319E-02     2.002812106        0.9971725207    
FOB,PFOB,DIAG,PSTEP=   -0.8765152375E-06   -0.8740438775E-06     589.5740347        0.1482512025E-08
J1,K1,R1,R2,RAT= 109 109   -0.8205213863E-02     2.008544535        0.9917947861    
FOB,PFOB,DIAG,PSTEP=   -0.4875312161E-04   -0.4835641420E-04     13.94082606        0.3468102336E-05
J1,K1,R1,R2,RAT= 110 110     2.030291665       -0.2948081486E-01    0.9705191851    
FOB,PFOB,DIAG,PSTEP=    0.2024468791E-04   -0.1966517740E-04     12.77880658        0.1538266328E-05
J1,K1,R1,R2,RAT= 111 111   -0.1267214934E-01     2.013755397        0.9873278507    
FOB,PFOB,DIAG,PSTEP=    0.6950424016E-04    0.6863495853E-04     11.82510960       -0.5801029055E-05
J1,K1,R1,R2,RAT= 112 112    0.1534337635E-03     1.999426527        0.9994265272    
FOB,PFOB,DIAG,PSTEP=   -0.2838444656E-04   -0.2838880328E-04     9.342780558        0.3039220129E-05
J1,K1,R1,R2,RAT= 113 113     23.86377993       -0.6299754065        0.3700245935    
FOB,PFOB,DIAG,PSTEP=   -0.9246396448E-03    0.8770764820E-03     7.550003110       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9993503026        -164.2916892        0.6496974094E-03
FOB,PFOB,DIAG,PSTEP=    0.1573834314        0.1554803497         4.760797437        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000     -0.00001      0.00000     -0.00001 
     0.00000     -0.00001     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00001 
    -0.00000      0.00001      0.00001      0.00001      0.00000     -0.00002 
    -0.00002     -0.00000      0.00001     -0.00001     -0.00001     -0.00001 
    -0.00001      0.00002     -0.00001     -0.00000     -0.00002      0.00001 
    -0.00000      0.00002     -0.00002     -0.00001      0.00002     -0.00001 
    -0.00001      0.00001      0.00001      0.00002      0.00006      0.00003 
     0.00002      0.00003      0.00001      0.00000      0.00006     -0.00008 
    -0.00005      0.00002      0.00007     -0.00003     -0.00092      0.15738 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4350455944
 Log product of positive Hessian eigenvalues =          520.4859148074
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7607974366
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000040
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000099
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000015
 Unscaled step for mode   17=       -0.0000000014
 Unscaled step for mode   18=       -0.0000000056
 Unscaled step for mode   19=       -0.0000000109
 Unscaled step for mode   20=       -0.0000000159
 Unscaled step for mode   21=       -0.0000000079
 Unscaled step for mode   22=        0.0000000021
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000156
 Unscaled step for mode   26=       -0.0000000229
 Unscaled step for mode   27=       -0.0000000189
 Unscaled step for mode   28=       -0.0000000079
 Unscaled step for mode   29=        0.0000000130
 Unscaled step for mode   30=        0.0000000106
 Unscaled step for mode   31=        0.0000000028
 Unscaled step for mode   32=       -0.0000000009
 Unscaled step for mode   33=       -0.0000000100
 Unscaled step for mode   34=       -0.0000000045
 Unscaled step for mode   35=       -0.0000000306
 Unscaled step for mode   36=       -0.0000000039
 Unscaled step for mode   37=        0.0000000131
 Unscaled step for mode   38=        0.0000000081
 Unscaled step for mode   39=        0.0000000240
 Unscaled step for mode   40=       -0.0000000072
 Unscaled step for mode   41=       -0.0000000105
 Unscaled step for mode   42=        0.0000000054
 Unscaled step for mode   43=       -0.0000000049
 Unscaled step for mode   44=        0.0000000017
 Unscaled step for mode   45=       -0.0000000132
 Unscaled step for mode   46=        0.0000000112
 Unscaled step for mode   47=        0.0000000400
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000208
 Unscaled step for mode   50=        0.0000000186
 Unscaled step for mode   51=        0.0000000175
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000217
 Unscaled step for mode   54=       -0.0000000067
 Unscaled step for mode   55=        0.0000000418
 Unscaled step for mode   56=        0.0000000161
 Unscaled step for mode   57=       -0.0000000075
 Unscaled step for mode   58=        0.0000000363
 Unscaled step for mode   59=       -0.0000000226
 Unscaled step for mode   60=        0.0000000380
 Unscaled step for mode   61=       -0.0000000302
 Unscaled step for mode   62=        0.0000001002
 Unscaled step for mode   63=        0.0000000648
 Unscaled step for mode   64=        0.0000000108
 Unscaled step for mode   65=        0.0000000130
 Unscaled step for mode   66=        0.0000000718
 Unscaled step for mode   67=        0.0000000062
 Unscaled step for mode   68=       -0.0000000195
 Unscaled step for mode   69=        0.0000000072
 Unscaled step for mode   70=        0.0000000287
 Unscaled step for mode   71=       -0.0000000020
 Unscaled step for mode   72=        0.0000000993
 Unscaled step for mode   73=        0.0000000282
 Unscaled step for mode   74=       -0.0000001313
 Unscaled step for mode   75=       -0.0000000713
 Unscaled step for mode   76=       -0.0000001071
 Unscaled step for mode   77=       -0.0000000012
 Unscaled step for mode   78=        0.0000002036
 Unscaled step for mode   79=        0.0000002476
 Unscaled step for mode   80=        0.0000000495
 Unscaled step for mode   81=       -0.0000000690
 Unscaled step for mode   82=        0.0000001266
 Unscaled step for mode   83=        0.0000001100
 Unscaled step for mode   84=        0.0000000892
 Unscaled step for mode   85=        0.0000002012
 Unscaled step for mode   86=       -0.0000002632
 Unscaled step for mode   87=        0.0000000920
 Unscaled step for mode   88=        0.0000000153
 Unscaled step for mode   89=        0.0000002535
 Unscaled step for mode   90=       -0.0000001194
 Unscaled step for mode   91=        0.0000000239
 Unscaled step for mode   92=       -0.0000002741
 Unscaled step for mode   93=        0.0000004437
 Unscaled step for mode   94=        0.0000001729
 Unscaled step for mode   95=       -0.0000004648
 Unscaled step for mode   96=        0.0000001336
 Unscaled step for mode   97=        0.0000002855
 Unscaled step for mode   98=       -0.0000002383
 Unscaled step for mode   99=       -0.0000003553
 Unscaled step for mode  100=       -0.0000006296
 Unscaled step for mode  101=       -0.0000017643
 Unscaled step for mode  102=       -0.0000008635
 Unscaled step for mode  103=       -0.0000006944
 Unscaled step for mode  104=       -0.0000009981
 Unscaled step for mode  105=       -0.0000003921
 Unscaled step for mode  106=       -0.0000001942
 Unscaled step for mode  107=       -0.0000030118
 Unscaled step for mode  108=        0.0000045693
 Unscaled step for mode  109=        0.0000034971
 Unscaled step for mode  110=       -0.0000015842
 Unscaled step for mode  111=       -0.0000058777
 Unscaled step for mode  112=        0.0000030381
 Unscaled step for mode  113=        0.0001224688
 Unscaled step for mode  114=        0.0330221592
 Largest modulus ratio of non-zero e/values=           150.6573396    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.674048E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.352474E-15    0.100776E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.438163E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.191350E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.453197E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.467318E-15    0.973465E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.281200E-06    0.717249E+03 -0.392054E-09 0.100000E-04    0.989858E+00
   8   -0.273218E-06    0.669895E+03  0.407852E-09 0.100000E-04    0.961608E+00
   9    0.479578E-06    0.622449E+03 -0.770469E-09 0.100000E-04    0.990683E+00
  10    0.115349E-05    0.602642E+03 -0.191406E-08 0.100000E-04    0.994883E+00
  11   -0.876515E-06    0.589574E+03  0.148669E-08 0.100000E-04    0.997173E+00
  12    0.225557E-05    0.563219E+03 -0.400479E-08 0.100000E-04    0.994475E+00
  13    0.209194E-05    0.560142E+03 -0.373466E-08 0.100000E-04    0.999642E+00
  14   -0.471509E-05    0.477555E+03  0.987339E-08 0.100000E-04    0.995049E+00
  15    0.146527E-05    0.471144E+03 -0.311003E-08 0.100000E-04    0.996416E+00
  16    0.704618E-06    0.463842E+03 -0.151909E-08 0.100000E-04    0.984454E+00
  17    0.606062E-06    0.441648E+03 -0.137227E-08 0.100000E-04    0.981948E+00
  18    0.243830E-05    0.432130E+03 -0.564252E-08 0.100000E-04    0.992978E+00
  19    0.457821E-05    0.420068E+03 -0.108988E-07 0.100000E-04    0.990747E+00
  20    0.645273E-05    0.405281E+03 -0.159216E-07 0.100000E-04    0.994274E+00
  21    0.315646E-05    0.398509E+03 -0.792069E-08 0.100000E-04    0.989985E+00
  22   -0.810690E-06    0.388185E+03  0.208841E-08 0.100000E-04    0.989940E+00
  23   -0.195533E-05    0.366930E+03  0.532889E-08 0.100000E-04    0.998412E+00
  24    0.170784E-05    0.364359E+03 -0.468725E-08 0.100000E-04    0.995621E+00
  25   -0.550207E-05    0.353080E+03  0.155831E-07 0.100000E-04    0.990506E+00
  26    0.789119E-05    0.345095E+03 -0.228667E-07 0.100000E-04    0.989195E+00
  27    0.613263E-05    0.324026E+03 -0.189264E-07 0.100000E-04    0.955647E+00
  28    0.256718E-05    0.323912E+03 -0.792556E-08 0.100000E-04    0.853048E+00
  29   -0.413546E-05    0.318959E+03  0.129655E-07 0.100000E-04    0.984136E+00
  30   -0.334165E-05    0.315951E+03  0.105765E-07 0.100000E-04    0.989957E+00
  31   -0.868622E-06    0.305409E+03  0.284413E-08 0.100000E-04    0.977735E+00
  32    0.269774E-06    0.287279E+03 -0.939066E-09 0.100000E-04    0.971049E+00
  33    0.279413E-05    0.280067E+03 -0.997664E-08 0.100000E-04    0.989841E+00
  34    0.122270E-05    0.271809E+03 -0.449837E-08 0.100000E-04    0.989875E+00
  35    0.814519E-05    0.265828E+03 -0.306408E-07 0.100000E-04    0.989579E+00
  36    0.102796E-05    0.261863E+03 -0.392557E-08 0.100000E-04    0.982752E+00
  37   -0.338107E-05    0.257656E+03  0.131224E-07 0.100000E-04    0.988716E+00
  38   -0.205490E-05    0.253366E+03  0.811039E-08 0.100000E-04    0.991633E+00
  39   -0.588151E-05    0.244623E+03  0.240432E-07 0.100000E-04    0.988892E+00
  40    0.171777E-05    0.239872E+03 -0.716120E-08 0.100000E-04    0.975693E+00
  41    0.246512E-05    0.233871E+03 -0.105405E-07 0.100000E-04    0.980659E+00
  42   -0.122308E-05    0.228391E+03  0.535522E-08 0.100000E-04    0.982643E+00
  43    0.109643E-05    0.225395E+03 -0.486448E-08 0.100000E-04    0.986846E+00
  44   -0.368548E-06    0.212987E+03  0.173038E-08 0.100000E-04    0.918153E+00
  45    0.278036E-05    0.211141E+03 -0.131683E-07 0.100000E-04    0.990381E+00
  46   -0.234419E-05    0.210034E+03  0.111610E-07 0.100000E-04    0.978916E+00
  47   -0.811657E-05    0.202837E+03  0.400152E-07 0.100000E-04    0.988069E+00
  48   -0.120652E-05    0.198765E+03  0.607006E-08 0.100000E-04    0.999068E+00
  49    0.406018E-05    0.195231E+03 -0.207968E-07 0.100000E-04    0.986347E+00
  50   -0.357383E-05    0.191688E+03  0.186440E-07 0.100000E-04    0.989670E+00
  51   -0.327202E-05    0.186536E+03  0.175410E-07 0.100000E-04    0.989150E+00
  52    0.452731E-06    0.178739E+03 -0.253292E-08 0.100000E-04    0.997359E+00
  53   -0.369554E-05    0.170677E+03  0.216523E-07 0.100000E-04    0.990223E+00
  54    0.112693E-05    0.168144E+03 -0.670221E-08 0.100000E-04    0.978221E+00
  55   -0.692538E-05    0.165799E+03  0.417698E-07 0.100000E-04    0.989727E+00
  56   -0.258808E-05    0.160703E+03  0.161048E-07 0.100000E-04    0.990206E+00
  57    0.114807E-05    0.153954E+03 -0.745726E-08 0.100000E-04    0.991614E+00
  58   -0.547980E-05    0.151071E+03  0.362730E-07 0.100000E-04    0.990242E+00
  59    0.335780E-05    0.148322E+03 -0.226386E-07 0.100000E-04    0.988108E+00
  60   -0.541170E-05    0.142390E+03  0.380063E-07 0.100000E-04    0.988229E+00
  61    0.413262E-05    0.136883E+03 -0.301909E-07 0.100000E-04    0.988820E+00
  62   -0.134831E-04    0.134546E+03  0.100212E-06 0.100000E-04    0.990394E+00
  63   -0.848520E-05    0.131034E+03  0.647558E-07 0.100000E-04    0.989915E+00
  64   -0.137980E-05    0.127713E+03  0.108040E-07 0.100000E-04    0.984465E+00
  65   -0.163112E-05    0.125591E+03  0.129876E-07 0.100000E-04    0.997479E+00
  66   -0.892068E-05    0.124286E+03  0.717756E-07 0.100000E-04    0.989141E+00
  67   -0.735304E-06    0.119426E+03  0.615696E-08 0.100000E-04    0.993132E+00
  68    0.229915E-05    0.117997E+03 -0.194849E-07 0.100000E-04    0.987953E+00
  69   -0.839394E-06    0.116241E+03  0.722117E-08 0.100000E-04    0.991136E+00
  70   -0.324387E-05    0.112890E+03  0.287347E-07 0.100000E-04    0.981201E+00
  71    0.221386E-06    0.110447E+03 -0.200446E-08 0.100000E-04    0.987278E+00
  72   -0.104969E-04    0.105714E+03  0.992953E-07 0.100000E-04    0.987995E+00
  73   -0.289661E-05    0.102837E+03  0.281670E-07 0.100000E-04    0.979206E+00
  74    0.132164E-04    0.100668E+03 -0.131287E-06 0.100000E-04    0.989222E+00
  75    0.693532E-05    0.972242E+02 -0.713333E-07 0.100000E-04    0.984765E+00
  76    0.101792E-04    0.950107E+02 -0.107138E-06 0.100000E-04    0.988000E+00
  77    0.105634E-06    0.915546E+02 -0.115378E-08 0.100000E-04    0.970223E+00
  78   -0.184030E-04    0.904030E+02  0.203566E-06 0.100000E-04    0.987532E+00
  79   -0.217245E-04    0.877458E+02  0.247585E-06 0.100000E-04    0.990756E+00
  80   -0.418250E-05    0.844343E+02  0.495355E-07 0.100000E-04    0.985218E+00
  81    0.558035E-05    0.809077E+02 -0.689718E-07 0.100000E-04    0.987375E+00
  82   -0.100014E-04    0.789961E+02  0.126606E-06 0.100000E-04    0.985140E+00
  83   -0.866102E-05    0.787387E+02  0.109997E-06 0.100000E-04    0.997860E+00
  84   -0.652074E-05    0.731306E+02  0.891656E-07 0.100000E-04    0.986501E+00
  85   -0.143273E-04    0.712190E+02  0.201172E-06 0.100000E-04    0.989721E+00
  86    0.183506E-04    0.697142E+02 -0.263226E-06 0.100000E-04    0.989191E+00
  87   -0.621111E-05    0.675373E+02  0.919657E-07 0.100000E-04    0.997505E+00
  88   -0.975634E-06    0.636762E+02  0.153218E-07 0.100000E-04    0.992384E+00
  89   -0.158157E-04    0.623993E+02  0.253460E-06 0.100000E-04    0.989021E+00
  90    0.712229E-05    0.596605E+02 -0.119380E-06 0.100000E-04    0.987563E+00
  91   -0.139832E-05    0.584591E+02  0.239196E-07 0.100000E-04    0.996544E+00
  92    0.153052E-04    0.558363E+02 -0.274109E-06 0.100000E-04    0.985682E+00
  93   -0.238235E-04    0.536892E+02  0.443731E-06 0.100000E-04    0.990672E+00
  94   -0.905439E-05    0.523676E+02  0.172901E-06 0.100000E-04    0.985911E+00
  95    0.233707E-04    0.502848E+02 -0.464766E-06 0.100000E-04    0.991594E+00
  96   -0.642081E-05    0.480430E+02  0.133647E-06 0.100000E-04    0.991927E+00
  97   -0.125120E-04    0.438177E+02  0.285548E-06 0.100000E-04    0.988525E+00
  98    0.946192E-05    0.397009E+02 -0.238330E-06 0.100000E-04    0.990265E+00
  99    0.134260E-04    0.377842E+02 -0.355335E-06 0.100000E-04    0.982530E+00
 100    0.227320E-04    0.361052E+02 -0.629606E-06 0.100000E-04    0.991014E+00
 101    0.609161E-04    0.345277E+02 -0.176427E-05 0.100000E-04    0.988884E+00
 102    0.258195E-04    0.299018E+02 -0.863476E-06 0.100000E-04    0.990806E+00
 103    0.201572E-04    0.290301E+02 -0.694356E-06 0.100000E-04    0.989164E+00
 104    0.286432E-04    0.286969E+02 -0.998129E-06 0.100000E-04    0.991140E+00
 105    0.927087E-05    0.236430E+02 -0.392119E-06 0.100000E-04    0.979476E+00
 106    0.424677E-05    0.218682E+02 -0.194199E-06 0.100000E-04    0.999941E+00
 107    0.591221E-04    0.196301E+02 -0.301180E-05 0.100000E-04    0.987804E+00
 108   -0.753596E-04    0.164925E+02  0.456933E-05 0.100000E-04    0.994394E+00
 109   -0.487531E-04    0.139408E+02  0.349715E-05 0.100000E-04    0.991795E+00
 110    0.202447E-04    0.127788E+02 -0.158424E-05 0.100000E-04    0.970519E+00
 111    0.695042E-04    0.118251E+02 -0.587768E-05 0.100000E-04    0.987328E+00
 112   -0.283844E-04    0.934278E+01  0.303812E-05 0.100000E-04    0.999427E+00
 113   -0.924640E-03    0.755000E+01  0.100000E-04 0.100000E-04    0.370025E+00
 114    0.157383E+00    0.476080E+01  0.400000E-03 0.400000E-03    0.649697E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3302215915E-01

 Beginning of optimization cycle   63.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4003941123
 potential> RMS force:                                               0.0149189066   |gradient|=.1592903329    
 Eigenvalues of the Hessian matrix:
   717.30808    669.91434    622.47569    602.66379    589.57846    563.24178 
   560.17921    477.56913    471.12197    463.82896    441.64398    432.11843 
   420.07507    405.29104    398.50541    388.19019    366.93004    364.34882 
   353.06954    345.05442    324.00051    323.91177    318.95379    315.97089 
   305.40760    287.27962    280.06419    271.80152    265.82593    261.86865 
   257.65558    253.36628    244.60669    239.86164    233.87988    228.39392 
   225.37664    212.97959    211.13817    210.03296    202.83886    198.75997 
   195.23433    191.68593    186.53326    178.72378    170.67630    168.14390 
   165.79739    160.70049    153.94693    151.07031    148.32898    142.39449 
   136.88364    134.54971    131.03353    127.71221    125.59398    124.29373 
   119.42603    117.99517    116.24491    112.88422    110.44078    105.71022 
   102.83605    100.66411     97.22472     95.01150     91.54794     90.40784 
    87.75664     84.43497     80.90682     78.99786     78.73863     73.12781 
    71.22211     69.70589     67.54114     63.67116     62.39622     59.66057 
    58.46213     55.83566     53.68849     52.36574     50.28551     48.04229 
    43.81325     39.70405     37.77630     36.10783     34.53327     29.89208 
    29.02888     28.69738     23.63738     21.86893     19.62775     16.49683 
    13.93848     12.77364     11.81863      9.34474      7.55134      4.76275 
overlap for current and previous eigenvector    109 is        -0.9999936835
overlap for current and previous eigenvector    110 is        -0.9999896695
overlap for current and previous eigenvector    111 is        -0.9999876735
overlap for current and previous eigenvector    112 is        -0.9999996411
overlap for current and previous eigenvector    113 is        -0.9999993009
overlap for current and previous eigenvector    114 is         0.9999991483
J1,K1,R1,R2,RAT=   7   7    0.1041521570E-01     1.989420278        0.9894202778    
FOB,PFOB,DIAG,PSTEP=    0.2782713045E-06    0.2812003073E-06     717.3080770       -0.3920539136E-09
J1,K1,R1,R2,RAT=   8   8   -0.3726550475E-01     2.037206344        0.9627344952    
FOB,PFOB,DIAG,PSTEP=   -0.2833996780E-06   -0.2732177784E-06     669.9143389        0.4078519366E-09
J1,K1,R1,R2,RAT=   9   9   -0.9183678314E-02     2.009098754        0.9908163217    
FOB,PFOB,DIAG,PSTEP=    0.4839822029E-06    0.4795777283E-06     622.4756876       -0.7704687951E-09
J1,K1,R1,R2,RAT=  10  10   -0.5052313015E-02     2.004980916        0.9949476870    
FOB,PFOB,DIAG,PSTEP=    0.1159319306E-05    0.1153491298E-05     602.6637907       -0.1914056387E-08
J1,K1,R1,R2,RAT=  11  11   -0.2784880906E-02     2.002769857        0.9972151191    
FOB,PFOB,DIAG,PSTEP=   -0.8789562464E-06   -0.8765152375E-06     589.5784636        0.1486692402E-08
J1,K1,R1,R2,RAT= 109 109     2.008404163       -0.8067696527E-02    0.9919323035    
FOB,PFOB,DIAG,PSTEP=    0.4914638084E-04   -0.4875312161E-04     13.93848114        0.3497147257E-05
J1,K1,R1,R2,RAT= 110 110     2.029973595       -0.2916533816E-01    0.9708346618    
FOB,PFOB,DIAG,PSTEP=   -0.2083489256E-04    0.2024468791E-04     12.77364439       -0.1584239324E-05
J1,K1,R1,R2,RAT= 111 111     2.013569273       -0.1247326836E-01    0.9875267316    
FOB,PFOB,DIAG,PSTEP=   -0.7037071037E-04    0.6950424016E-04     11.81863296       -0.5877682535E-05
J1,K1,R1,R2,RAT= 112 112     1.999168153        0.4121716237E-03    0.9991681534    
FOB,PFOB,DIAG,PSTEP=    0.2837274485E-04   -0.2838444656E-04     9.344741435        0.3038115515E-05
J1,K1,R1,R2,RAT= 113 113     25.13336634       -0.6439602308        0.3560397692    
FOB,PFOB,DIAG,PSTEP=    0.9732672968E-03   -0.9246396448E-03     7.551343962        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9993354288        -166.2225439        0.6645712004E-03
FOB,PFOB,DIAG,PSTEP=    0.1592872661        0.1573834314         4.762751942        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001      0.00000     -0.00000      0.00001      0.00000      0.00001 
     0.00000      0.00001     -0.00001     -0.00000     -0.00000      0.00001 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00001 
    -0.00000      0.00001      0.00001      0.00001     -0.00000     -0.00002 
     0.00002     -0.00000     -0.00001      0.00001     -0.00001      0.00001 
    -0.00001     -0.00002      0.00001      0.00000      0.00002      0.00001 
    -0.00000      0.00002     -0.00002     -0.00001      0.00002     -0.00001 
     0.00001      0.00001      0.00001      0.00002     -0.00006     -0.00003 
    -0.00002     -0.00003     -0.00001     -0.00000     -0.00006      0.00008 
     0.00005     -0.00002     -0.00007      0.00003      0.00097      0.15929 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4351159165
 Log product of positive Hessian eigenvalues =          520.4848337053
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7627519424
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000040
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000099
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000015
 Unscaled step for mode   17=       -0.0000000014
 Unscaled step for mode   18=       -0.0000000057
 Unscaled step for mode   19=       -0.0000000110
 Unscaled step for mode   20=       -0.0000000160
 Unscaled step for mode   21=       -0.0000000080
 Unscaled step for mode   22=        0.0000000021
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000157
 Unscaled step for mode   26=       -0.0000000231
 Unscaled step for mode   27=       -0.0000000199
 Unscaled step for mode   28=       -0.0000000055
 Unscaled step for mode   29=        0.0000000132
 Unscaled step for mode   30=        0.0000000107
 Unscaled step for mode   31=        0.0000000029
 Unscaled step for mode   32=       -0.0000000009
 Unscaled step for mode   33=       -0.0000000101
 Unscaled step for mode   34=       -0.0000000045
 Unscaled step for mode   35=       -0.0000000310
 Unscaled step for mode   36=       -0.0000000040
 Unscaled step for mode   37=        0.0000000133
 Unscaled step for mode   38=        0.0000000082
 Unscaled step for mode   39=        0.0000000243
 Unscaled step for mode   40=       -0.0000000073
 Unscaled step for mode   41=       -0.0000000107
 Unscaled step for mode   42=        0.0000000054
 Unscaled step for mode   43=       -0.0000000049
 Unscaled step for mode   44=        0.0000000019
 Unscaled step for mode   45=       -0.0000000133
 Unscaled step for mode   46=        0.0000000114
 Unscaled step for mode   47=        0.0000000405
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000211
 Unscaled step for mode   50=        0.0000000188
 Unscaled step for mode   51=        0.0000000177
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000219
 Unscaled step for mode   54=       -0.0000000068
 Unscaled step for mode   55=       -0.0000000422
 Unscaled step for mode   56=       -0.0000000163
 Unscaled step for mode   57=        0.0000000075
 Unscaled step for mode   58=       -0.0000000366
 Unscaled step for mode   59=       -0.0000000229
 Unscaled step for mode   60=       -0.0000000384
 Unscaled step for mode   61=       -0.0000000305
 Unscaled step for mode   62=       -0.0000001012
 Unscaled step for mode   63=        0.0000000654
 Unscaled step for mode   64=        0.0000000110
 Unscaled step for mode   65=        0.0000000130
 Unscaled step for mode   66=       -0.0000000725
 Unscaled step for mode   67=       -0.0000000062
 Unscaled step for mode   68=        0.0000000197
 Unscaled step for mode   69=        0.0000000072
 Unscaled step for mode   70=       -0.0000000293
 Unscaled step for mode   71=        0.0000000020
 Unscaled step for mode   72=       -0.0000001005
 Unscaled step for mode   73=        0.0000000287
 Unscaled step for mode   74=       -0.0000001327
 Unscaled step for mode   75=       -0.0000000724
 Unscaled step for mode   76=       -0.0000001084
 Unscaled step for mode   77=        0.0000000012
 Unscaled step for mode   78=        0.0000002061
 Unscaled step for mode   79=       -0.0000002498
 Unscaled step for mode   80=        0.0000000503
 Unscaled step for mode   81=        0.0000000698
 Unscaled step for mode   82=       -0.0000001284
 Unscaled step for mode   83=        0.0000001097
 Unscaled step for mode   84=       -0.0000000904
 Unscaled step for mode   85=        0.0000002032
 Unscaled step for mode   86=        0.0000002661
 Unscaled step for mode   87=       -0.0000000922
 Unscaled step for mode   88=       -0.0000000152
 Unscaled step for mode   89=       -0.0000002562
 Unscaled step for mode   90=       -0.0000001208
 Unscaled step for mode   91=        0.0000000238
 Unscaled step for mode   92=       -0.0000002780
 Unscaled step for mode   93=        0.0000004478
 Unscaled step for mode   94=        0.0000001753
 Unscaled step for mode   95=       -0.0000004686
 Unscaled step for mode   96=        0.0000001347
 Unscaled step for mode   97=       -0.0000002888
 Unscaled step for mode   98=       -0.0000002406
 Unscaled step for mode   99=       -0.0000003616
 Unscaled step for mode  100=       -0.0000006351
 Unscaled step for mode  101=        0.0000017833
 Unscaled step for mode  102=        0.0000008716
 Unscaled step for mode  103=        0.0000007018
 Unscaled step for mode  104=        0.0000010068
 Unscaled step for mode  105=        0.0000004001
 Unscaled step for mode  106=        0.0000001941
 Unscaled step for mode  107=        0.0000030484
 Unscaled step for mode  108=       -0.0000045929
 Unscaled step for mode  109=       -0.0000035259
 Unscaled step for mode  110=        0.0000016311
 Unscaled step for mode  111=        0.0000059542
 Unscaled step for mode  112=       -0.0000030362
 Unscaled step for mode  113=       -0.0001288866
 Unscaled step for mode  114=        0.0334070509
 Largest modulus ratio of non-zero e/values=           150.6079018    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.848822E-15    0.101877E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.194723E-15    0.100776E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.427173E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.647165E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.611490E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.556060E-16    0.973467E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.278271E-06    0.717308E+03 -0.387938E-09 0.100000E-04    0.989420E+00
   8   -0.283400E-06    0.669914E+03  0.423039E-09 0.100000E-04    0.962734E+00
   9    0.483982E-06    0.622476E+03 -0.777512E-09 0.100000E-04    0.990816E+00
  10    0.115932E-05    0.602664E+03 -0.192366E-08 0.100000E-04    0.994948E+00
  11   -0.878956E-06    0.589578E+03  0.149082E-08 0.100000E-04    0.997215E+00
  12    0.226792E-05    0.563242E+03 -0.402655E-08 0.100000E-04    0.994526E+00
  13    0.209247E-05    0.560179E+03 -0.373535E-08 0.100000E-04    0.999749E+00
  14   -0.473807E-05    0.477569E+03  0.992123E-08 0.100000E-04    0.995125E+00
  15    0.147045E-05    0.471122E+03 -0.312117E-08 0.100000E-04    0.996465E+00
  16    0.715503E-06    0.463829E+03 -0.154260E-08 0.100000E-04    0.984552E+00
  17    0.616889E-06    0.441644E+03 -0.139680E-08 0.100000E-04    0.982135E+00
  18    0.245526E-05    0.432118E+03 -0.568193E-08 0.100000E-04    0.993042E+00
  19    0.462025E-05    0.420075E+03 -0.109986E-07 0.100000E-04    0.990818E+00
  20    0.648921E-05    0.405291E+03 -0.160112E-07 0.100000E-04    0.994347E+00
  21    0.318775E-05    0.398505E+03 -0.799926E-08 0.100000E-04    0.990088E+00
  22   -0.802243E-06    0.388190E+03  0.206662E-08 0.100000E-04    0.989551E+00
  23   -0.195826E-05    0.366930E+03  0.533688E-08 0.100000E-04    0.998500E+00
  24    0.171515E-05    0.364349E+03 -0.470745E-08 0.100000E-04    0.995720E+00
  25   -0.555389E-05    0.353070E+03  0.157303E-07 0.100000E-04    0.990581E+00
  26    0.797583E-05    0.345054E+03 -0.231147E-07 0.100000E-04    0.989273E+00
  27    0.645330E-05    0.324001E+03 -0.199176E-07 0.100000E-04    0.947706E+00
  28    0.179283E-05    0.323912E+03 -0.553493E-08 0.100000E-04    0.698364E+00
  29   -0.420055E-05    0.318954E+03  0.131698E-07 0.100000E-04    0.984260E+00
  30   -0.337529E-05    0.315971E+03  0.106823E-07 0.100000E-04    0.989933E+00
  31   -0.887741E-06    0.305408E+03  0.290674E-08 0.100000E-04    0.977990E+00
  32    0.261556E-06    0.287280E+03 -0.910458E-09 0.100000E-04    0.969532E+00
  33    0.282228E-05    0.280064E+03 -0.100773E-07 0.100000E-04    0.989925E+00
  34    0.123504E-05    0.271802E+03 -0.454392E-08 0.100000E-04    0.989902E+00
  35    0.822930E-05    0.265826E+03 -0.309575E-07 0.100000E-04    0.989673E+00
  36    0.104565E-05    0.261869E+03 -0.399302E-08 0.100000E-04    0.982797E+00
  37   -0.341895E-05    0.257656E+03  0.132695E-07 0.100000E-04    0.988798E+00
  38   -0.207192E-05    0.253366E+03  0.817757E-08 0.100000E-04    0.991717E+00
  39   -0.594622E-05    0.244607E+03  0.243093E-07 0.100000E-04    0.988997E+00
  40    0.175906E-05    0.239862E+03 -0.733364E-08 0.100000E-04    0.975962E+00
  41    0.251239E-05    0.233880E+03 -0.107422E-07 0.100000E-04    0.980825E+00
  42   -0.124411E-05    0.228394E+03  0.544721E-08 0.100000E-04    0.982810E+00
  43    0.111080E-05    0.225377E+03 -0.492862E-08 0.100000E-04    0.986896E+00
  44   -0.397021E-06    0.212980E+03  0.186413E-08 0.100000E-04    0.922741E+00
  45    0.280635E-05    0.211138E+03 -0.132915E-07 0.100000E-04    0.990653E+00
  46   -0.239343E-05    0.210033E+03  0.113955E-07 0.100000E-04    0.978995E+00
  47   -0.821255E-05    0.202839E+03  0.404881E-07 0.100000E-04    0.988175E+00
  48   -0.120513E-05    0.198760E+03  0.606323E-08 0.100000E-04    0.998848E+00
  49    0.411516E-05    0.195234E+03 -0.210781E-07 0.100000E-04    0.986459E+00
  50   -0.361037E-05    0.191686E+03  0.188348E-07 0.100000E-04    0.989775E+00
  51   -0.330721E-05    0.186533E+03  0.177298E-07 0.100000E-04    0.989246E+00
  52    0.453846E-06    0.178724E+03 -0.253937E-08 0.100000E-04    0.997535E+00
  53   -0.373126E-05    0.170676E+03  0.218616E-07 0.100000E-04    0.990334E+00
  54    0.115124E-05    0.168144E+03 -0.684673E-08 0.100000E-04    0.978435E+00
  55    0.699580E-05    0.165797E+03 -0.421948E-07 0.100000E-04    0.989833E+00
  56    0.261316E-05    0.160700E+03 -0.162610E-07 0.100000E-04    0.990312E+00
  57   -0.115765E-05    0.153947E+03  0.751977E-08 0.100000E-04    0.991662E+00
  58    0.553278E-05    0.151070E+03 -0.366239E-07 0.100000E-04    0.990330E+00
  59    0.339728E-05    0.148329E+03 -0.229037E-07 0.100000E-04    0.988244E+00
  60    0.547475E-05    0.142394E+03 -0.384478E-07 0.100000E-04    0.988349E+00
  61    0.417844E-05    0.136884E+03 -0.305255E-07 0.100000E-04    0.988912E+00
  62    0.136111E-04    0.134550E+03 -0.101161E-06 0.100000E-04    0.990504E+00
  63   -0.856986E-05    0.131034E+03  0.654021E-07 0.100000E-04    0.990023E+00
  64   -0.140115E-05    0.127712E+03  0.109712E-07 0.100000E-04    0.984528E+00
  65   -0.163482E-05    0.125594E+03  0.130167E-07 0.100000E-04    0.997732E+00
  66    0.901658E-05    0.124294E+03 -0.725425E-07 0.100000E-04    0.989250E+00
  67    0.740324E-06    0.119426E+03 -0.619902E-08 0.100000E-04    0.993172E+00
  68   -0.232660E-05    0.117995E+03  0.197178E-07 0.100000E-04    0.988062E+00
  69   -0.831659E-06    0.116245E+03  0.715437E-08 0.100000E-04    0.990715E+00
  70    0.330414E-05    0.112884E+03 -0.292702E-07 0.100000E-04    0.981419E+00
  71   -0.218369E-06    0.110441E+03  0.197725E-08 0.100000E-04    0.986370E+00
  72    0.106218E-04    0.105710E+03 -0.100480E-06 0.100000E-04    0.988104E+00
  73   -0.295621E-05    0.102836E+03  0.287468E-07 0.100000E-04    0.979424E+00
  74    0.133572E-04    0.100664E+03 -0.132690E-06 0.100000E-04    0.989350E+00
  75    0.704017E-05    0.972247E+02 -0.724113E-07 0.100000E-04    0.984882E+00
  76    0.103001E-04    0.950115E+02 -0.108409E-06 0.100000E-04    0.988123E+00
  77   -0.108766E-06    0.915479E+02  0.118808E-08 0.100000E-04    0.970344E+00
  78   -0.186302E-04    0.904078E+02  0.206069E-06 0.100000E-04    0.987653E+00
  79    0.219222E-04    0.877566E+02 -0.249807E-06 0.100000E-04    0.990901E+00
  80   -0.424375E-05    0.844350E+02  0.502605E-07 0.100000E-04    0.985356E+00
  81   -0.564999E-05    0.809068E+02  0.698333E-07 0.100000E-04    0.987521E+00
  82    0.101464E-04    0.789979E+02 -0.128439E-06 0.100000E-04    0.985502E+00
  83   -0.864107E-05    0.787386E+02  0.109744E-06 0.100000E-04    0.997696E+00
  84    0.660799E-05    0.731278E+02 -0.903622E-07 0.100000E-04    0.986619E+00
  85   -0.144729E-04    0.712221E+02  0.203208E-06 0.100000E-04    0.989833E+00
  86   -0.185463E-04    0.697059E+02  0.266065E-06 0.100000E-04    0.989333E+00
  87    0.622517E-05    0.675411E+02 -0.921686E-07 0.100000E-04    0.997736E+00
  88    0.967318E-06    0.636712E+02 -0.151924E-07 0.100000E-04    0.991476E+00
  89    0.159874E-04    0.623962E+02 -0.256224E-06 0.100000E-04    0.989142E+00
  90    0.720987E-05    0.596606E+02 -0.120848E-06 0.100000E-04    0.987704E+00
  91   -0.139323E-05    0.584621E+02  0.238314E-07 0.100000E-04    0.996259E+00
  92    0.155221E-04    0.558357E+02 -0.277996E-06 0.100000E-04    0.985829E+00
  93   -0.240422E-04    0.536885E+02  0.447810E-06 0.100000E-04    0.990820E+00
  94   -0.918069E-05    0.523657E+02  0.175319E-06 0.100000E-04    0.986050E+00
  95    0.235639E-04    0.502855E+02 -0.468602E-06 0.100000E-04    0.991735E+00
  96   -0.647186E-05    0.480423E+02  0.134712E-06 0.100000E-04    0.992049E+00
  97    0.126539E-04    0.438132E+02 -0.288814E-06 0.100000E-04    0.988662E+00
  98    0.955297E-05    0.397040E+02 -0.240604E-06 0.100000E-04    0.990378E+00
  99    0.136588E-04    0.377763E+02 -0.361570E-06 0.100000E-04    0.982661E+00
 100    0.229332E-04    0.361078E+02 -0.635131E-06 0.100000E-04    0.991152E+00
 101   -0.615837E-04    0.345333E+02  0.178331E-05 0.100000E-04    0.989043E+00
 102   -0.260541E-04    0.298921E+02  0.871606E-06 0.100000E-04    0.990910E+00
 103   -0.203727E-04    0.290289E+02  0.701809E-06 0.100000E-04    0.989307E+00
 104   -0.288927E-04    0.286974E+02  0.100681E-05 0.100000E-04    0.991287E+00
 105   -0.945834E-05    0.236374E+02  0.400143E-06 0.100000E-04    0.979774E+00
 106   -0.424575E-05    0.218689E+02  0.194145E-06 0.100000E-04    0.999692E+00
 107   -0.598332E-04    0.196277E+02  0.304840E-05 0.100000E-04    0.987972E+00
 108    0.757691E-04    0.164968E+02 -0.459295E-05 0.100000E-04    0.994568E+00
 109    0.491464E-04    0.139385E+02 -0.352595E-05 0.100000E-04    0.991932E+00
 110   -0.208349E-04    0.127736E+02  0.163108E-05 0.100000E-04    0.970835E+00
 111   -0.703707E-04    0.118186E+02  0.595422E-05 0.100000E-04    0.987527E+00
 112    0.283727E-04    0.934474E+01 -0.303623E-05 0.100000E-04    0.999168E+00
 113    0.973267E-03    0.755134E+01 -0.100000E-04 0.100000E-04    0.356040E+00
 114    0.159287E+00    0.476275E+01  0.400000E-03 0.400000E-03    0.664571E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3340705091E-01

 Beginning of optimization cycle   64.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4003300265
 potential> RMS force:                                               0.0150973117   |gradient|=.1611951782    
 Eigenvalues of the Hessian matrix:
   717.36709    669.93411    622.50201    602.68516    589.58279    563.26500 
   560.21686    477.58319    471.10006    463.81642    441.64004    432.10713 
   420.08259    405.30157    398.50200    388.19583    366.93005    364.33819 
   353.05864    345.01378    323.98009    323.90678    318.94852    315.99121 
   305.40664    287.28049    280.06129    271.79386    265.82380    261.87455 
   257.65525    253.36653    244.59087    239.85143    233.88883    228.39674 
   225.35839    212.97209    211.13577    210.03145    202.84043    198.75474 
   195.23750    191.68412    186.53086    178.70895    170.67606    168.14411 
   165.79605    160.69837    153.94011    151.06982    148.33597    142.39941 
   136.88439    134.55361    131.03311    127.71160    125.59738    124.30184 
   119.42565    117.99378    116.24904    112.87793    110.43477    105.70626 
   102.83538    100.65995     97.22524     95.01234     91.54126     90.41271 
    87.76748     84.43564     80.90592     78.99965     78.73853     73.12501 
    71.22522     69.69754     67.54500     63.66619     62.39311     59.66066 
    58.46519     55.83505     53.68775     52.36389     50.28617     48.04161 
    43.80883     39.70722     37.76845     36.11047     34.53889     29.88239 
    29.02768     28.69789     23.63176     21.86968     19.62543     16.50112 
    13.93616     12.76850     11.81208      9.34670      7.55267      4.76467 
overlap for current and previous eigenvector    109 is        -0.9999937545
overlap for current and previous eigenvector    110 is         0.9999896400
overlap for current and previous eigenvector    111 is        -0.9999875875
overlap for current and previous eigenvector    112 is        -0.9999996404
overlap for current and previous eigenvector    113 is        -0.9999993012
overlap for current and previous eigenvector    114 is        -0.9999991524
J1,K1,R1,R2,RAT=   7   7    0.1086691487E-01     1.988968552        0.9889685519    
FOB,PFOB,DIAG,PSTEP=    0.2752471052E-06    0.2782713045E-06     717.3670923       -0.3879383398E-09
J1,K1,R1,R2,RAT=   8   8   -0.3620818175E-01     2.036149171        0.9637918183    
FOB,PFOB,DIAG,PSTEP=   -0.2936613678E-06   -0.2833996780E-06     669.9341056        0.4230386806E-09
J1,K1,R1,R2,RAT=   9   9   -0.9052131830E-02     2.008967566        0.9909478682    
FOB,PFOB,DIAG,PSTEP=    0.4883634589E-06    0.4839822029E-06     622.5020089       -0.7775118170E-09
J1,K1,R1,R2,RAT=  10  10   -0.4988639867E-02     2.004917732        0.9950113601    
FOB,PFOB,DIAG,PSTEP=    0.1165102937E-05    0.1159319306E-05     602.6851583       -0.1923658470E-08
J1,K1,R1,R2,RAT=  11  11   -0.2743068584E-02     2.002728393        0.9972569314    
FOB,PFOB,DIAG,PSTEP=   -0.8813673014E-06   -0.8789562464E-06     589.5827898        0.1490821495E-08
J1,K1,R1,R2,RAT= 109 109     2.008267139       -0.7933529507E-02    0.9920664705    
FOB,PFOB,DIAG,PSTEP=   -0.4953622008E-04    0.4914638084E-04     13.93615653       -0.3525949516E-05
J1,K1,R1,R2,RAT= 110 110   -0.2885039466E-01     2.029655921        0.9711496053    
FOB,PFOB,DIAG,PSTEP=   -0.2143574543E-04   -0.2083489256E-04     12.76850171        0.1631084436E-05
J1,K1,R1,R2,RAT= 111 111     2.013386481       -0.1227762669E-01    0.9877223733    
FOB,PFOB,DIAG,PSTEP=    0.7123421693E-04   -0.7037071037E-04     11.81208402        0.5954217431E-05
J1,K1,R1,R2,RAT= 112 112     1.998911356        0.6693396083E-03    0.9989113556    
FOB,PFOB,DIAG,PSTEP=   -0.2835374986E-04    0.2837274485E-04     9.346700993       -0.3036225779E-05
J1,K1,R1,R2,RAT= 113 113     26.43060416       -0.6578021891        0.3421978109    
FOB,PFOB,DIAG,PSTEP=   -0.1022948923E-02    0.9732672968E-03     7.552669654       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -168.1539193        0.9993202632        0.6797367678E-03
FOB,PFOB,DIAG,PSTEP=   -0.1611918382        0.1592872661         4.764668967        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000     -0.00000     -0.00001      0.00000      0.00001 
    -0.00000      0.00001     -0.00001     -0.00000     -0.00000      0.00001 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00001      0.00001      0.00000     -0.00002 
    -0.00002     -0.00000      0.00001     -0.00001     -0.00001     -0.00001 
     0.00001     -0.00002      0.00001     -0.00000      0.00002     -0.00001 
     0.00000      0.00002      0.00002     -0.00001      0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00002      0.00006      0.00003 
    -0.00002     -0.00003      0.00001      0.00000     -0.00006     -0.00008 
    -0.00005     -0.00002      0.00007     -0.00003     -0.00102     -0.16119 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4351855432
 Log product of positive Hessian eigenvalues =          520.4837405589
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7646689670
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000040
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000100
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000016
 Unscaled step for mode   17=       -0.0000000014
 Unscaled step for mode   18=       -0.0000000057
 Unscaled step for mode   19=       -0.0000000111
 Unscaled step for mode   20=       -0.0000000161
 Unscaled step for mode   21=       -0.0000000081
 Unscaled step for mode   22=        0.0000000020
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000159
 Unscaled step for mode   26=       -0.0000000234
 Unscaled step for mode   27=       -0.0000000208
 Unscaled step for mode   28=        0.0000000015
 Unscaled step for mode   29=        0.0000000134
 Unscaled step for mode   30=        0.0000000108
 Unscaled step for mode   31=        0.0000000030
 Unscaled step for mode   32=       -0.0000000009
 Unscaled step for mode   33=       -0.0000000102
 Unscaled step for mode   34=       -0.0000000046
 Unscaled step for mode   35=       -0.0000000313
 Unscaled step for mode   36=       -0.0000000041
 Unscaled step for mode   37=        0.0000000134
 Unscaled step for mode   38=        0.0000000082
 Unscaled step for mode   39=        0.0000000246
 Unscaled step for mode   40=       -0.0000000075
 Unscaled step for mode   41=       -0.0000000109
 Unscaled step for mode   42=        0.0000000055
 Unscaled step for mode   43=       -0.0000000050
 Unscaled step for mode   44=        0.0000000020
 Unscaled step for mode   45=       -0.0000000134
 Unscaled step for mode   46=        0.0000000116
 Unscaled step for mode   47=        0.0000000410
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000214
 Unscaled step for mode   50=        0.0000000190
 Unscaled step for mode   51=        0.0000000179
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000221
 Unscaled step for mode   54=       -0.0000000070
 Unscaled step for mode   55=       -0.0000000426
 Unscaled step for mode   56=        0.0000000164
 Unscaled step for mode   57=        0.0000000076
 Unscaled step for mode   58=        0.0000000370
 Unscaled step for mode   59=       -0.0000000232
 Unscaled step for mode   60=       -0.0000000389
 Unscaled step for mode   61=        0.0000000309
 Unscaled step for mode   62=       -0.0000001021
 Unscaled step for mode   63=        0.0000000660
 Unscaled step for mode   64=        0.0000000111
 Unscaled step for mode   65=        0.0000000130
 Unscaled step for mode   66=       -0.0000000733
 Unscaled step for mode   67=        0.0000000062
 Unscaled step for mode   68=       -0.0000000200
 Unscaled step for mode   69=       -0.0000000071
 Unscaled step for mode   70=       -0.0000000298
 Unscaled step for mode   71=        0.0000000019
 Unscaled step for mode   72=        0.0000001017
 Unscaled step for mode   73=        0.0000000293
 Unscaled step for mode   74=       -0.0000001341
 Unscaled step for mode   75=       -0.0000000735
 Unscaled step for mode   76=       -0.0000001097
 Unscaled step for mode   77=       -0.0000000012
 Unscaled step for mode   78=        0.0000002086
 Unscaled step for mode   79=        0.0000002520
 Unscaled step for mode   80=        0.0000000510
 Unscaled step for mode   81=       -0.0000000707
 Unscaled step for mode   82=        0.0000001303
 Unscaled step for mode   83=        0.0000001095
 Unscaled step for mode   84=        0.0000000916
 Unscaled step for mode   85=       -0.0000002052
 Unscaled step for mode   86=        0.0000002689
 Unscaled step for mode   87=       -0.0000000924
 Unscaled step for mode   88=        0.0000000150
 Unscaled step for mode   89=       -0.0000002590
 Unscaled step for mode   90=        0.0000001223
 Unscaled step for mode   91=       -0.0000000237
 Unscaled step for mode   92=       -0.0000002819
 Unscaled step for mode   93=       -0.0000004519
 Unscaled step for mode   94=        0.0000001777
 Unscaled step for mode   95=       -0.0000004724
 Unscaled step for mode   96=       -0.0000001358
 Unscaled step for mode   97=        0.0000002921
 Unscaled step for mode   98=       -0.0000002429
 Unscaled step for mode   99=        0.0000003679
 Unscaled step for mode  100=        0.0000006406
 Unscaled step for mode  101=       -0.0000018023
 Unscaled step for mode  102=       -0.0000008797
 Unscaled step for mode  103=        0.0000007092
 Unscaled step for mode  104=        0.0000010154
 Unscaled step for mode  105=       -0.0000004082
 Unscaled step for mode  106=       -0.0000001940
 Unscaled step for mode  107=        0.0000030849
 Unscaled step for mode  108=        0.0000046159
 Unscaled step for mode  109=        0.0000035545
 Unscaled step for mode  110=        0.0000016788
 Unscaled step for mode  111=       -0.0000060306
 Unscaled step for mode  112=        0.0000030336
 Unscaled step for mode  113=        0.0001354420
 Unscaled step for mode  114=       -0.0337920167
 Largest modulus ratio of non-zero e/values=           150.5596920    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.196349E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.276472E-16    0.100776E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.787131E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.561126E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.221340E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.112059E-14    0.973468E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.275247E-06    0.717367E+03 -0.383691E-09 0.100000E-04    0.988969E+00
   8   -0.293661E-06    0.669934E+03  0.438344E-09 0.100000E-04    0.963792E+00
   9    0.488363E-06    0.622502E+03 -0.784517E-09 0.100000E-04    0.990948E+00
  10    0.116510E-05    0.602685E+03 -0.193319E-08 0.100000E-04    0.995011E+00
  11   -0.881367E-06    0.589583E+03  0.149490E-08 0.100000E-04    0.997257E+00
  12    0.228022E-05    0.563265E+03 -0.404823E-08 0.100000E-04    0.994575E+00
  13    0.209276E-05    0.560217E+03 -0.373563E-08 0.100000E-04    0.999857E+00
  14   -0.476081E-05    0.477583E+03  0.996855E-08 0.100000E-04    0.995201E+00
  15    0.147558E-05    0.471100E+03 -0.313220E-08 0.100000E-04    0.996513E+00
  16    0.726486E-06    0.463816E+03 -0.156632E-08 0.100000E-04    0.984649E+00
  17    0.627796E-06    0.441640E+03 -0.142151E-08 0.100000E-04    0.982318E+00
  18    0.247219E-05    0.432107E+03 -0.572125E-08 0.100000E-04    0.993106E+00
  19    0.466235E-05    0.420083E+03 -0.110987E-07 0.100000E-04    0.990888E+00
  20    0.652543E-05    0.405302E+03 -0.161002E-07 0.100000E-04    0.994419E+00
  21    0.321902E-05    0.398502E+03 -0.807781E-08 0.100000E-04    0.990189E+00
  22   -0.793563E-06    0.388196E+03  0.204423E-08 0.100000E-04    0.989151E+00
  23   -0.196103E-05    0.366930E+03  0.534441E-08 0.100000E-04    0.998588E+00
  24    0.172233E-05    0.364338E+03 -0.472728E-08 0.100000E-04    0.995817E+00
  25   -0.560579E-05    0.353059E+03  0.158778E-07 0.100000E-04    0.990656E+00
  26    0.806077E-05    0.345014E+03 -0.233636E-07 0.100000E-04    0.989349E+00
  27    0.672848E-05    0.323980E+03 -0.207682E-07 0.100000E-04    0.957357E+00
  28   -0.495814E-06    0.323907E+03  0.153073E-08 0.100000E-04    0.276543E+00
  29   -0.426614E-05    0.318949E+03  0.133756E-07 0.100000E-04    0.984385E+00
  30   -0.340936E-05    0.315991E+03  0.107894E-07 0.100000E-04    0.989906E+00
  31   -0.907059E-06    0.305407E+03  0.297000E-08 0.100000E-04    0.978239E+00
  32    0.253162E-06    0.287280E+03 -0.881235E-09 0.100000E-04    0.967901E+00
  33    0.285048E-05    0.280061E+03 -0.101780E-07 0.100000E-04    0.990008E+00
  34    0.124748E-05    0.271794E+03 -0.458982E-08 0.100000E-04    0.989928E+00
  35    0.831352E-05    0.265824E+03 -0.312746E-07 0.100000E-04    0.989766E+00
  36    0.106359E-05    0.261875E+03 -0.406144E-08 0.100000E-04    0.982842E+00
  37   -0.345697E-05    0.257655E+03  0.134170E-07 0.100000E-04    0.988879E+00
  38   -0.208891E-05    0.253367E+03  0.824462E-08 0.100000E-04    0.991799E+00
  39   -0.601102E-05    0.244591E+03  0.245758E-07 0.100000E-04    0.989101E+00
  40    0.180088E-05    0.239851E+03 -0.750831E-08 0.100000E-04    0.976225E+00
  41    0.256016E-05    0.233889E+03 -0.109461E-07 0.100000E-04    0.980987E+00
  42   -0.126529E-05    0.228397E+03  0.553988E-08 0.100000E-04    0.982974E+00
  43    0.112530E-05    0.225358E+03 -0.499337E-08 0.100000E-04    0.986944E+00
  44   -0.426087E-06    0.212972E+03  0.200067E-08 0.100000E-04    0.926786E+00
  45    0.283182E-05    0.211136E+03 -0.134123E-07 0.100000E-04    0.990921E+00
  46   -0.244349E-05    0.210031E+03  0.116339E-07 0.100000E-04    0.979085E+00
  47   -0.830881E-05    0.202840E+03  0.409623E-07 0.100000E-04    0.988279E+00
  48   -0.120347E-05    0.198755E+03  0.605506E-08 0.100000E-04    0.998627E+00
  49    0.417043E-05    0.195238E+03 -0.213608E-07 0.100000E-04    0.986569E+00
  50   -0.364691E-05    0.191684E+03  0.190256E-07 0.100000E-04    0.989878E+00
  51   -0.334246E-05    0.186531E+03  0.179191E-07 0.100000E-04    0.989341E+00
  52    0.454885E-06    0.178709E+03 -0.254540E-08 0.100000E-04    0.997711E+00
  53   -0.376692E-05    0.170676E+03  0.220706E-07 0.100000E-04    0.990444E+00
  54    0.117582E-05    0.168144E+03 -0.699293E-08 0.100000E-04    0.978646E+00
  55    0.706620E-05    0.165796E+03 -0.426198E-07 0.100000E-04    0.989936E+00
  56   -0.263820E-05    0.160698E+03  0.164171E-07 0.100000E-04    0.990416E+00
  57   -0.116725E-05    0.153940E+03  0.758247E-08 0.100000E-04    0.991707E+00
  58   -0.558580E-05    0.151070E+03  0.369750E-07 0.100000E-04    0.990417E+00
  59    0.343676E-05    0.148336E+03 -0.231687E-07 0.100000E-04    0.988379E+00
  60    0.553789E-05    0.142399E+03 -0.388898E-07 0.100000E-04    0.988468E+00
  61   -0.422439E-05    0.136884E+03  0.308610E-07 0.100000E-04    0.989003E+00
  62    0.137389E-04    0.134554E+03 -0.102107E-06 0.100000E-04    0.990612E+00
  63   -0.865446E-05    0.131033E+03  0.660479E-07 0.100000E-04    0.990128E+00
  64   -0.142275E-05    0.127712E+03  0.111403E-07 0.100000E-04    0.984589E+00
  65   -0.163812E-05    0.125597E+03  0.130426E-07 0.100000E-04    0.997984E+00
  66    0.911255E-05    0.124302E+03 -0.733099E-07 0.100000E-04    0.989357E+00
  67   -0.745351E-06    0.119426E+03  0.624113E-08 0.100000E-04    0.993210E+00
  68    0.235413E-05    0.117994E+03 -0.199513E-07 0.100000E-04    0.988169E+00
  69    0.823638E-06    0.116249E+03 -0.708512E-08 0.100000E-04    0.990284E+00
  70    0.336483E-05    0.112878E+03 -0.298095E-07 0.100000E-04    0.981632E+00
  71   -0.215185E-06    0.110435E+03  0.194853E-08 0.100000E-04    0.985421E+00
  72   -0.107470E-04    0.105706E+03  0.101669E-06 0.100000E-04    0.988211E+00
  73   -0.301640E-05    0.102835E+03  0.293323E-07 0.100000E-04    0.979638E+00
  74    0.134977E-04    0.100660E+03 -0.134092E-06 0.100000E-04    0.989475E+00
  75    0.714580E-05    0.972252E+02 -0.734974E-07 0.100000E-04    0.984996E+00
  76    0.104212E-04    0.950123E+02 -0.109683E-06 0.100000E-04    0.988243E+00
  77    0.111982E-06    0.915413E+02 -0.122329E-08 0.100000E-04    0.970435E+00
  78   -0.188581E-04    0.904127E+02  0.208577E-06 0.100000E-04    0.987772E+00
  79   -0.221186E-04    0.877675E+02  0.252013E-06 0.100000E-04    0.991044E+00
  80   -0.430531E-05    0.844356E+02  0.509893E-07 0.100000E-04    0.985492E+00
  81    0.571968E-05    0.809059E+02 -0.706955E-07 0.100000E-04    0.987664E+00
  82   -0.102898E-04    0.789996E+02  0.130251E-06 0.100000E-04    0.985863E+00
  83   -0.861989E-05    0.787385E+02  0.109475E-06 0.100000E-04    0.997550E+00
  84   -0.669565E-05    0.731250E+02  0.915644E-07 0.100000E-04    0.986733E+00
  85    0.146185E-04    0.712252E+02 -0.205243E-06 0.100000E-04    0.989942E+00
  86   -0.187416E-04    0.696975E+02  0.268899E-06 0.100000E-04    0.989471E+00
  87    0.623783E-05    0.675450E+02 -0.923507E-07 0.100000E-04    0.997967E+00
  88   -0.958173E-06    0.636662E+02  0.150499E-07 0.100000E-04    0.990545E+00
  89    0.161591E-04    0.623931E+02 -0.258989E-06 0.100000E-04    0.989261E+00
  90   -0.729753E-05    0.596607E+02  0.122317E-06 0.100000E-04    0.987842E+00
  91    0.138777E-05    0.584652E+02 -0.237367E-07 0.100000E-04    0.995973E+00
  92    0.157398E-04    0.558350E+02 -0.281899E-06 0.100000E-04    0.985974E+00
  93    0.242595E-04    0.536877E+02 -0.451862E-06 0.100000E-04    0.990965E+00
  94   -0.930750E-05    0.523639E+02  0.177746E-06 0.100000E-04    0.986187E+00
  95    0.237554E-04    0.502862E+02 -0.472404E-06 0.100000E-04    0.991873E+00
  96    0.652255E-05    0.480416E+02 -0.135769E-06 0.100000E-04    0.992167E+00
  97   -0.127957E-04    0.438088E+02  0.292079E-06 0.100000E-04    0.988796E+00
  98    0.964385E-05    0.397072E+02 -0.242874E-06 0.100000E-04    0.990488E+00
  99   -0.138938E-04    0.377684E+02  0.367868E-06 0.100000E-04    0.982789E+00
 100   -0.231330E-04    0.361105E+02  0.640618E-06 0.100000E-04    0.991287E+00
 101    0.622490E-04    0.345389E+02 -0.180229E-05 0.100000E-04    0.989199E+00
 102    0.262882E-04    0.298824E+02 -0.879724E-06 0.100000E-04    0.991011E+00
 103   -0.205877E-04    0.290277E+02  0.709244E-06 0.100000E-04    0.989448E+00
 104   -0.291403E-04    0.286979E+02  0.101542E-05 0.100000E-04    0.991431E+00
 105    0.964684E-05    0.236318E+02 -0.408215E-06 0.100000E-04    0.980065E+00
 106    0.424369E-05    0.218697E+02 -0.194044E-06 0.100000E-04    0.999446E+00
 107   -0.605429E-04    0.196254E+02  0.308492E-05 0.100000E-04    0.988136E+00
 108   -0.761678E-04    0.165011E+02  0.461592E-05 0.100000E-04    0.994739E+00
 109   -0.495362E-04    0.139362E+02  0.355451E-05 0.100000E-04    0.992066E+00
 110   -0.214357E-04    0.127685E+02  0.167880E-05 0.100000E-04    0.971150E+00
 111    0.712342E-04    0.118121E+02 -0.603062E-05 0.100000E-04    0.987722E+00
 112   -0.283537E-04    0.934670E+01  0.303356E-05 0.100000E-04    0.998911E+00
 113   -0.102295E-02    0.755267E+01  0.100000E-04 0.100000E-04    0.342198E+00
 114   -0.161192E+00    0.476467E+01 -0.400000E-03 0.400000E-03    0.679737E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3379201668E-01

 Beginning of optimization cycle   65.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4002651792
 potential> RMS force:                                               0.0152757859   |gradient|=.1631007610    
 Eigenvalues of the Hessian matrix:
   717.42612    669.95382    622.52822    602.70638    589.58701    563.28817 
   560.25454    477.59731    471.07813    463.80391    441.63612    432.09585 
   420.09012    405.31212    398.49859    388.20145    366.93008    364.32757 
   353.04778    344.97315    323.96745    323.89416    318.94315    316.01148 
   305.40565    287.28138    280.05836    271.78623    265.82171    261.88050 
   257.65499    253.36680    244.57509    239.84120    233.89783    228.39956 
   225.34012    212.96470    211.13356    210.02971    202.84201    198.74953 
   195.24068    191.68235    186.52838    178.69412    170.67587    168.14427 
   165.79471    160.69622    153.93334    151.06932    148.34297    142.40432 
   136.88514    134.55754    131.03268    127.71098    125.60079    124.30993 
   119.42529    117.99240    116.25316    112.87161    110.42871    105.70231 
   102.83473    100.65578     97.22571     95.01317     91.53459     90.41761 
    87.77834     84.43632     80.90505     79.00149     78.73837     73.12221 
    71.22833     69.68918     67.54886     63.66127     62.38994     59.66074 
    58.46827     55.83445     53.68697     52.36204     50.28682     48.04094 
    43.80441     39.71038     37.76058     36.11308     34.54455     29.87270 
    29.02649     28.69841     23.62615     21.87044     19.62319     16.50537 
    13.93385     12.76338     11.80546      9.34866      7.55398      4.76655 
overlap for current and previous eigenvector    109 is        -0.9999938255
overlap for current and previous eigenvector    110 is         0.9999896144
overlap for current and previous eigenvector    111 is        -0.9999875068
overlap for current and previous eigenvector    112 is        -0.9999996397
overlap for current and previous eigenvector    113 is        -0.9999993014
overlap for current and previous eigenvector    114 is        -0.9999991565
J1,K1,R1,R2,RAT=   7   7    0.1133421284E-01     1.988501228        0.9885012275    
FOB,PFOB,DIAG,PSTEP=    0.2721271392E-06    0.2752471052E-06     717.4261220       -0.3836907326E-09
J1,K1,R1,R2,RAT=   8   8   -0.3521296484E-01     2.035154104        0.9647870352    
FOB,PFOB,DIAG,PSTEP=   -0.3040023596E-06   -0.2936613678E-06     669.9538228        0.4383436601E-09
J1,K1,R1,R2,RAT=   9   9   -0.8922628488E-02     2.008838420        0.9910773715    
FOB,PFOB,DIAG,PSTEP=    0.4927211281E-06    0.4883634589E-06     622.5282201       -0.7845170809E-09
J1,K1,R1,R2,RAT=  10  10   -0.4925871809E-02     2.004855451        0.9950741282    
FOB,PFOB,DIAG,PSTEP=    0.1170842287E-05    0.1165102937E-05     602.7063799       -0.1933186708E-08
J1,K1,R1,R2,RAT=  11  11   -0.2701872280E-02     2.002687544        0.9972981277    
FOB,PFOB,DIAG,PSTEP=   -0.8837486603E-06   -0.8813673014E-06     589.5870136        0.1494899981E-08
J1,K1,R1,R2,RAT= 109 109     2.008133390       -0.7802639607E-02    0.9921973604    
FOB,PFOB,DIAG,PSTEP=    0.4992266944E-04   -0.4953622008E-04     13.93385222        0.3554510885E-05
J1,K1,R1,R2,RAT= 110 110   -0.2853606284E-01     2.029338723        0.9714639372    
FOB,PFOB,DIAG,PSTEP=   -0.2204719182E-04   -0.2143574543E-04     12.76337939        0.1678798806E-05
J1,K1,R1,R2,RAT= 111 111     2.013207121       -0.1208532927E-01    0.9879146707    
FOB,PFOB,DIAG,PSTEP=   -0.7209462330E-04    0.7123421693E-04     11.80546238       -0.6030622270E-05
J1,K1,R1,R2,RAT= 112 112     1.998656598        0.9244736961E-03    0.9986565977    
FOB,PFOB,DIAG,PSTEP=    0.2832753207E-04   -0.2835374986E-04     9.348659204        0.3033556961E-05
J1,K1,R1,R2,RAT= 113 113     27.75520728       -0.6715005938        0.3284994062    
FOB,PFOB,DIAG,PSTEP=    0.1073673945E-02   -0.1022948923E-02     7.553980221        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -170.0858415        0.9993048150        0.6951849832E-03
FOB,PFOB,DIAG,PSTEP=    0.1630971322       -0.1611918382         4.766548580       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00001     -0.00000      0.00000     -0.00001 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00001 
    -0.00000     -0.00001      0.00001      0.00001      0.00000     -0.00002 
    -0.00002     -0.00000      0.00001     -0.00001      0.00001     -0.00001 
     0.00001     -0.00002      0.00001     -0.00000     -0.00002     -0.00001 
     0.00000      0.00002     -0.00002     -0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00001      0.00002     -0.00006      0.00003 
    -0.00002     -0.00003     -0.00001      0.00000      0.00006     -0.00008 
     0.00005     -0.00002     -0.00007      0.00003      0.00107      0.16310 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4352544727
 Log product of positive Hessian eigenvalues =          520.4826353963
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7665485798
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000019
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000041
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000100
 Unscaled step for mode   15=       -0.0000000031
 Unscaled step for mode   16=       -0.0000000016
 Unscaled step for mode   17=       -0.0000000014
 Unscaled step for mode   18=       -0.0000000058
 Unscaled step for mode   19=       -0.0000000112
 Unscaled step for mode   20=       -0.0000000162
 Unscaled step for mode   21=       -0.0000000082
 Unscaled step for mode   22=        0.0000000020
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000160
 Unscaled step for mode   26=       -0.0000000236
 Unscaled step for mode   27=       -0.0000000207
 Unscaled step for mode   28=       -0.0000000035
 Unscaled step for mode   29=        0.0000000136
 Unscaled step for mode   30=        0.0000000109
 Unscaled step for mode   31=        0.0000000030
 Unscaled step for mode   32=       -0.0000000009
 Unscaled step for mode   33=       -0.0000000103
 Unscaled step for mode   34=       -0.0000000046
 Unscaled step for mode   35=       -0.0000000316
 Unscaled step for mode   36=       -0.0000000041
 Unscaled step for mode   37=        0.0000000136
 Unscaled step for mode   38=        0.0000000083
 Unscaled step for mode   39=        0.0000000248
 Unscaled step for mode   40=       -0.0000000077
 Unscaled step for mode   41=       -0.0000000112
 Unscaled step for mode   42=        0.0000000056
 Unscaled step for mode   43=       -0.0000000051
 Unscaled step for mode   44=        0.0000000021
 Unscaled step for mode   45=       -0.0000000135
 Unscaled step for mode   46=        0.0000000119
 Unscaled step for mode   47=        0.0000000414
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000216
 Unscaled step for mode   50=        0.0000000192
 Unscaled step for mode   51=        0.0000000181
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000223
 Unscaled step for mode   54=       -0.0000000071
 Unscaled step for mode   55=       -0.0000000430
 Unscaled step for mode   56=        0.0000000166
 Unscaled step for mode   57=        0.0000000076
 Unscaled step for mode   58=        0.0000000373
 Unscaled step for mode   59=        0.0000000234
 Unscaled step for mode   60=        0.0000000393
 Unscaled step for mode   61=        0.0000000312
 Unscaled step for mode   62=       -0.0000001031
 Unscaled step for mode   63=        0.0000000667
 Unscaled step for mode   64=        0.0000000113
 Unscaled step for mode   65=       -0.0000000131
 Unscaled step for mode   66=        0.0000000741
 Unscaled step for mode   67=        0.0000000063
 Unscaled step for mode   68=        0.0000000202
 Unscaled step for mode   69=        0.0000000070
 Unscaled step for mode   70=        0.0000000304
 Unscaled step for mode   71=       -0.0000000019
 Unscaled step for mode   72=        0.0000001029
 Unscaled step for mode   73=        0.0000000299
 Unscaled step for mode   74=        0.0000001355
 Unscaled step for mode   75=       -0.0000000746
 Unscaled step for mode   76=       -0.0000001110
 Unscaled step for mode   77=       -0.0000000013
 Unscaled step for mode   78=        0.0000002111
 Unscaled step for mode   79=        0.0000002542
 Unscaled step for mode   80=        0.0000000517
 Unscaled step for mode   81=       -0.0000000716
 Unscaled step for mode   82=        0.0000001320
 Unscaled step for mode   83=       -0.0000001092
 Unscaled step for mode   84=        0.0000000928
 Unscaled step for mode   85=       -0.0000002073
 Unscaled step for mode   86=        0.0000002717
 Unscaled step for mode   87=       -0.0000000925
 Unscaled step for mode   88=        0.0000000149
 Unscaled step for mode   89=        0.0000002618
 Unscaled step for mode   90=        0.0000001238
 Unscaled step for mode   91=       -0.0000000236
 Unscaled step for mode   92=       -0.0000002858
 Unscaled step for mode   93=        0.0000004559
 Unscaled step for mode   94=        0.0000001802
 Unscaled step for mode   95=        0.0000004762
 Unscaled step for mode   96=        0.0000001368
 Unscaled step for mode   97=       -0.0000002953
 Unscaled step for mode   98=        0.0000002451
 Unscaled step for mode   99=       -0.0000003742
 Unscaled step for mode  100=       -0.0000006461
 Unscaled step for mode  101=        0.0000018212
 Unscaled step for mode  102=       -0.0000008878
 Unscaled step for mode  103=        0.0000007167
 Unscaled step for mode  104=        0.0000010240
 Unscaled step for mode  105=        0.0000004163
 Unscaled step for mode  106=       -0.0000001939
 Unscaled step for mode  107=       -0.0000031214
 Unscaled step for mode  108=        0.0000046382
 Unscaled step for mode  109=       -0.0000035828
 Unscaled step for mode  110=        0.0000017274
 Unscaled step for mode  111=        0.0000061069
 Unscaled step for mode  112=       -0.0000030301
 Unscaled step for mode  113=       -0.0001421335
 Unscaled step for mode  114=        0.0341770613
 Largest modulus ratio of non-zero e/values=           150.5127054    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.387819E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.361148E-15    0.100775E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.115988E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.968193E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.397374E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.107493E-14    0.973469E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.272127E-06    0.717426E+03 -0.379310E-09 0.100000E-04    0.988501E+00
   8   -0.304002E-06    0.669954E+03  0.453766E-09 0.100000E-04    0.964787E+00
   9    0.492721E-06    0.622528E+03 -0.791484E-09 0.100000E-04    0.991077E+00
  10    0.117084E-05    0.602706E+03 -0.194264E-08 0.100000E-04    0.995074E+00
  11   -0.883749E-06    0.589587E+03  0.149893E-08 0.100000E-04    0.997298E+00
  12    0.229248E-05    0.563288E+03 -0.406982E-08 0.100000E-04    0.994625E+00
  13    0.209284E-05    0.560255E+03 -0.373551E-08 0.100000E-04    0.999900E+00
  14   -0.478330E-05    0.477597E+03  0.100153E-07 0.100000E-04    0.995276E+00
  15    0.148065E-05    0.471078E+03 -0.314311E-08 0.100000E-04    0.996561E+00
  16    0.737568E-06    0.463804E+03 -0.159026E-08 0.100000E-04    0.984745E+00
  17    0.638784E-06    0.441636E+03 -0.144640E-08 0.100000E-04    0.982498E+00
  18    0.248908E-05    0.432096E+03 -0.576049E-08 0.100000E-04    0.993168E+00
  19    0.470451E-05    0.420090E+03 -0.111988E-07 0.100000E-04    0.990958E+00
  20    0.656138E-05    0.405312E+03 -0.161885E-07 0.100000E-04    0.994490E+00
  21    0.325028E-05    0.398499E+03 -0.815632E-08 0.100000E-04    0.990289E+00
  22   -0.784650E-06    0.388201E+03  0.202125E-08 0.100000E-04    0.988740E+00
  23   -0.196363E-05    0.366930E+03  0.535150E-08 0.100000E-04    0.998674E+00
  24    0.172937E-05    0.364328E+03 -0.474674E-08 0.100000E-04    0.995914E+00
  25   -0.565776E-05    0.353048E+03  0.160255E-07 0.100000E-04    0.990729E+00
  26    0.814600E-05    0.344973E+03 -0.236134E-07 0.100000E-04    0.989425E+00
  27    0.669964E-05    0.323967E+03 -0.206800E-07 0.100000E-04    0.995714E+00
  28    0.113613E-05    0.323894E+03 -0.350771E-08 0.100000E-04    0.291490E+00
  29   -0.433222E-05    0.318943E+03  0.135830E-07 0.100000E-04    0.984509E+00
  30   -0.344388E-05    0.316011E+03  0.108980E-07 0.100000E-04    0.989876E+00
  31   -0.926576E-06    0.305406E+03  0.303392E-08 0.100000E-04    0.978483E+00
  32    0.244592E-06    0.287281E+03 -0.851401E-09 0.100000E-04    0.966141E+00
  33    0.287873E-05    0.280058E+03 -0.102790E-07 0.100000E-04    0.990090E+00
  34    0.126002E-05    0.271786E+03 -0.463606E-08 0.100000E-04    0.989953E+00
  35    0.839784E-05    0.265822E+03 -0.315920E-07 0.100000E-04    0.989858E+00
  36    0.108179E-05    0.261880E+03 -0.413085E-08 0.100000E-04    0.982887E+00
  37   -0.349514E-05    0.257655E+03  0.135652E-07 0.100000E-04    0.988958E+00
  38   -0.210587E-05    0.253367E+03  0.831157E-08 0.100000E-04    0.991879E+00
  39   -0.607591E-05    0.244575E+03  0.248427E-07 0.100000E-04    0.989204E+00
  40    0.184323E-05    0.239841E+03 -0.768520E-08 0.100000E-04    0.976483E+00
  41    0.260843E-05    0.233898E+03 -0.111520E-07 0.100000E-04    0.981146E+00
  42   -0.128663E-05    0.228400E+03  0.563325E-08 0.100000E-04    0.983135E+00
  43    0.113994E-05    0.225340E+03 -0.505874E-08 0.100000E-04    0.986991E+00
  44   -0.455750E-06    0.212965E+03  0.214002E-08 0.100000E-04    0.930382E+00
  45    0.285679E-05    0.211134E+03 -0.135307E-07 0.100000E-04    0.991185E+00
  46   -0.249436E-05    0.210030E+03  0.118762E-07 0.100000E-04    0.979184E+00
  47   -0.840535E-05    0.202842E+03  0.414379E-07 0.100000E-04    0.988381E+00
  48   -0.120155E-05    0.198750E+03  0.604556E-08 0.100000E-04    0.998405E+00
  49    0.422599E-05    0.195241E+03 -0.216450E-07 0.100000E-04    0.986677E+00
  50   -0.368345E-05    0.191682E+03  0.192165E-07 0.100000E-04    0.989980E+00
  51   -0.337778E-05    0.186528E+03  0.181087E-07 0.100000E-04    0.989433E+00
  52    0.455847E-06    0.178694E+03 -0.255099E-08 0.100000E-04    0.997887E+00
  53   -0.380251E-05    0.170676E+03  0.222791E-07 0.100000E-04    0.990551E+00
  54    0.120068E-05    0.168144E+03 -0.714080E-08 0.100000E-04    0.978853E+00
  55    0.713660E-05    0.165795E+03 -0.430448E-07 0.100000E-04    0.990038E+00
  56   -0.266321E-05    0.160696E+03  0.165730E-07 0.100000E-04    0.990519E+00
  57   -0.117688E-05    0.153933E+03  0.764536E-08 0.100000E-04    0.991750E+00
  58   -0.563886E-05    0.151069E+03  0.373263E-07 0.100000E-04    0.990502E+00
  59   -0.347624E-05    0.148343E+03  0.234338E-07 0.100000E-04    0.988512E+00
  60   -0.560112E-05    0.142404E+03  0.393325E-07 0.100000E-04    0.988584E+00
  61   -0.427048E-05    0.136885E+03  0.311975E-07 0.100000E-04    0.989091E+00
  62    0.138664E-04    0.134558E+03 -0.103052E-06 0.100000E-04    0.990718E+00
  63   -0.873900E-05    0.131033E+03  0.666933E-07 0.100000E-04    0.990232E+00
  64   -0.144459E-05    0.127711E+03  0.113114E-07 0.100000E-04    0.984649E+00
  65    0.164101E-05    0.125601E+03 -0.130653E-07 0.100000E-04    0.998236E+00
  66   -0.920859E-05    0.124310E+03  0.740777E-07 0.100000E-04    0.989462E+00
  67   -0.750386E-06    0.119425E+03  0.628331E-08 0.100000E-04    0.993244E+00
  68   -0.238173E-05    0.117992E+03  0.201854E-07 0.100000E-04    0.988274E+00
  69   -0.815332E-06    0.116253E+03  0.701342E-08 0.100000E-04    0.989845E+00
  70   -0.342593E-05    0.112872E+03  0.303524E-07 0.100000E-04    0.981841E+00
  71    0.211834E-06    0.110429E+03 -0.191829E-08 0.100000E-04    0.984426E+00
  72   -0.108726E-04    0.105702E+03  0.102860E-06 0.100000E-04    0.988315E+00
  73   -0.307719E-05    0.102835E+03  0.299236E-07 0.100000E-04    0.979848E+00
  74   -0.136381E-04    0.100656E+03  0.135493E-06 0.100000E-04    0.989598E+00
  75    0.725222E-05    0.972257E+02 -0.745916E-07 0.100000E-04    0.985108E+00
  76    0.105425E-04    0.950132E+02 -0.110958E-06 0.100000E-04    0.988361E+00
  77    0.115284E-06    0.915346E+02 -0.125946E-08 0.100000E-04    0.970506E+00
  78   -0.190865E-04    0.904176E+02  0.211092E-06 0.100000E-04    0.987888E+00
  79   -0.223136E-04    0.877783E+02  0.254204E-06 0.100000E-04    0.991185E+00
  80   -0.436720E-05    0.844363E+02  0.517218E-07 0.100000E-04    0.985625E+00
  81    0.578944E-05    0.809050E+02 -0.715584E-07 0.100000E-04    0.987804E+00
  82   -0.104316E-04    0.790015E+02  0.132043E-06 0.100000E-04    0.986222E+00
  83    0.859766E-05    0.787384E+02 -0.109193E-06 0.100000E-04    0.997420E+00
  84   -0.678372E-05    0.731222E+02  0.927724E-07 0.100000E-04    0.986846E+00
  85    0.147640E-04    0.712283E+02 -0.207277E-06 0.100000E-04    0.990049E+00
  86   -0.189363E-04    0.696892E+02  0.271725E-06 0.100000E-04    0.989607E+00
  87    0.624907E-05    0.675489E+02 -0.925118E-07 0.100000E-04    0.998198E+00
  88   -0.948197E-06    0.636613E+02  0.148944E-07 0.100000E-04    0.989588E+00
  89   -0.163308E-04    0.623899E+02  0.261753E-06 0.100000E-04    0.989377E+00
  90   -0.738527E-05    0.596607E+02  0.123788E-06 0.100000E-04    0.987977E+00
  91    0.138193E-05    0.584683E+02 -0.236355E-07 0.100000E-04    0.995687E+00
  92    0.159584E-04    0.558345E+02 -0.285816E-06 0.100000E-04    0.986116E+00
  93   -0.244752E-04    0.536870E+02  0.455887E-06 0.100000E-04    0.991107E+00
  94   -0.943480E-05    0.523620E+02  0.180184E-06 0.100000E-04    0.986321E+00
  95   -0.239452E-04    0.502868E+02  0.476173E-06 0.100000E-04    0.992009E+00
  96   -0.657288E-05    0.480409E+02  0.136818E-06 0.100000E-04    0.992283E+00
  97    0.129373E-04    0.438044E+02 -0.295343E-06 0.100000E-04    0.988927E+00
  98   -0.973456E-05    0.397104E+02  0.245139E-06 0.100000E-04    0.990594E+00
  99    0.141312E-04    0.377606E+02 -0.374230E-06 0.100000E-04    0.982913E+00
 100    0.233315E-04    0.361131E+02 -0.646069E-06 0.100000E-04    0.991420E+00
 101   -0.629119E-04    0.345445E+02  0.182118E-05 0.100000E-04    0.989352E+00
 102    0.265219E-04    0.298727E+02 -0.887832E-06 0.100000E-04    0.991108E+00
 103   -0.208021E-04    0.290265E+02  0.716658E-06 0.100000E-04    0.989587E+00
 104   -0.293859E-04    0.286984E+02  0.102396E-05 0.100000E-04    0.991572E+00
 105   -0.983635E-05    0.236261E+02  0.416333E-06 0.100000E-04    0.980350E+00
 106    0.424060E-05    0.218704E+02 -0.193896E-06 0.100000E-04    0.999202E+00
 107    0.612513E-04    0.196232E+02 -0.312137E-05 0.100000E-04    0.988298E+00
 108   -0.765559E-04    0.165054E+02  0.463824E-05 0.100000E-04    0.994907E+00
 109    0.499227E-04    0.139339E+02 -0.358283E-05 0.100000E-04    0.992197E+00
 110   -0.220472E-04    0.127634E+02  0.172738E-05 0.100000E-04    0.971464E+00
 111   -0.720946E-04    0.118055E+02  0.610689E-05 0.100000E-04    0.987915E+00
 112    0.283275E-04    0.934866E+01 -0.303012E-05 0.100000E-04    0.998657E+00
 113    0.107367E-02    0.755398E+01 -0.100000E-04 0.100000E-04    0.328499E+00
 114    0.163097E+00    0.476655E+01  0.400000E-03 0.400000E-03    0.695185E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3417706132E-01

 Beginning of optimization cycle   66.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4001995701
 potential> RMS force:                                               0.0154543277   |gradient|=.1650070661    
 Eigenvalues of the Hessian matrix:
   717.48517    669.97349    622.55432    602.72746    589.59114    563.31128 
   560.29224    477.61147    471.05619    463.79142    441.63224    432.08458 
   420.09766    405.32268    398.49517    388.20704    366.93016    364.31695 
   353.03694    344.93251    323.96254    323.87398    318.93768    316.03169 
   305.40463    287.28230    280.05541    271.77862    265.81965    261.88649 
   257.65479    253.36711    244.55934    239.83095    233.90688    228.40238 
   225.32185    212.95739    211.13151    210.02776    202.84362    198.74432 
   195.24385    191.68059    186.52581    178.67930    170.67573    168.14439 
   165.79338    160.69404    153.92659    151.06882    148.34998    142.40920 
   136.88589    134.56148    131.03224    127.71037    125.60421    124.31799 
   119.42495    117.99105    116.25727    112.86526    110.42260    105.69836 
   102.83410    100.65161     97.22616     95.01401     91.52793     90.42253 
    87.78924     84.43702     80.90419     79.00340     78.73814     73.11940 
    71.23144     69.68081     67.55271     63.65641     62.38671     59.66082 
    58.47134     55.83387     53.68617     52.36021     50.28747     48.04026 
    43.79999     39.71354     37.75272     36.11567     34.55025     29.86302 
    29.02530     28.69892     23.62054     21.87120     19.62101     16.50959 
    13.93157     12.75828     11.79877      9.35062      7.55528      4.76839 
overlap for current and previous eigenvector    109 is         0.9999938965
overlap for current and previous eigenvector    110 is         0.9999895927
overlap for current and previous eigenvector    111 is         0.9999874313
overlap for current and previous eigenvector    112 is         0.9999996390
overlap for current and previous eigenvector    113 is         0.9999993015
overlap for current and previous eigenvector    114 is         0.9999991606
J1,K1,R1,R2,RAT=   7   7    0.1181788507E-01     1.988017529        0.9880175293    
FOB,PFOB,DIAG,PSTEP=    0.2689109073E-06    0.2721271392E-06     717.4851659       -0.3793103301E-09
J1,K1,R1,R2,RAT=   8   8   -0.3427535865E-01     2.034216647        0.9657246414    
FOB,PFOB,DIAG,PSTEP=   -0.3144224554E-06   -0.3040023596E-06     669.9734904        0.4537661392E-09
J1,K1,R1,R2,RAT=   9   9   -0.8794285177E-02     2.008710432        0.9912057148    
FOB,PFOB,DIAG,PSTEP=    0.4970544399E-06    0.4927211281E-06     622.5543217       -0.7914840037E-09
J1,K1,R1,R2,RAT=  10  10   -0.4863722396E-02     2.004793787        0.9951362776    
FOB,PFOB,DIAG,PSTEP=    0.1176537138E-05    0.1170842287E-05     602.7274559       -0.1942641269E-08
J1,K1,R1,R2,RAT=  11  11   -0.2661386397E-02     2.002647404        0.9973386136    
FOB,PFOB,DIAG,PSTEP=   -0.8861006734E-06   -0.8837486603E-06     589.5911354        0.1498928301E-08
J1,K1,R1,R2,RAT= 109 109   -0.7674892698E-02     2.008002783        0.9923251073    
FOB,PFOB,DIAG,PSTEP=    0.5030575777E-04    0.4992266944E-04     13.93156821       -0.3582833280E-05
J1,K1,R1,R2,RAT= 110 110   -0.2822262537E-01     2.029022286        0.9717773746    
FOB,PFOB,DIAG,PSTEP=   -0.2266917277E-04   -0.2204719182E-04     12.75827824        0.1727378866E-05
J1,K1,R1,R2,RAT= 111 111   -0.1189634167E-01     2.013031156        0.9881036583    
FOB,PFOB,DIAG,PSTEP=   -0.7295179920E-04   -0.7209462330E-04     11.79876768        0.6106886877E-05
J1,K1,R1,R2,RAT= 112 112    0.1177698041E-02     1.998403755        0.9984037555    
FOB,PFOB,DIAG,PSTEP=    0.2829416381E-04    0.2832753207E-04     9.350616037       -0.3030117095E-05
J1,K1,R1,R2,RAT= 113 113   -0.6850548150         29.10688846        0.3149451850    
FOB,PFOB,DIAG,PSTEP=    0.1125431725E-02    0.1073673945E-02     7.555275699       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9992890932        -172.0183365        0.7109068275E-03
FOB,PFOB,DIAG,PSTEP=    0.1650031326        0.1630971322         4.768390851        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00001     -0.00000      0.00000     -0.00001 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00001      0.00001     -0.00000     -0.00002 
    -0.00002     -0.00000      0.00001      0.00001      0.00001     -0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00002     -0.00001 
    -0.00000     -0.00002      0.00002      0.00001     -0.00002     -0.00001 
    -0.00001     -0.00001      0.00001     -0.00002      0.00006      0.00003 
    -0.00002     -0.00003      0.00001      0.00000     -0.00006     -0.00008 
     0.00005     -0.00002     -0.00007      0.00003      0.00113      0.16500 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4353227030
 Log product of positive Hessian eigenvalues =          520.4815182460
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7683908511
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000041
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000101
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000016
 Unscaled step for mode   17=       -0.0000000015
 Unscaled step for mode   18=       -0.0000000058
 Unscaled step for mode   19=       -0.0000000113
 Unscaled step for mode   20=       -0.0000000163
 Unscaled step for mode   21=       -0.0000000082
 Unscaled step for mode   22=        0.0000000020
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000162
 Unscaled step for mode   26=       -0.0000000239
 Unscaled step for mode   27=       -0.0000000197
 Unscaled step for mode   28=       -0.0000000075
 Unscaled step for mode   29=        0.0000000138
 Unscaled step for mode   30=        0.0000000110
 Unscaled step for mode   31=        0.0000000031
 Unscaled step for mode   32=       -0.0000000008
 Unscaled step for mode   33=       -0.0000000104
 Unscaled step for mode   34=       -0.0000000047
 Unscaled step for mode   35=       -0.0000000319
 Unscaled step for mode   36=       -0.0000000042
 Unscaled step for mode   37=        0.0000000137
 Unscaled step for mode   38=        0.0000000084
 Unscaled step for mode   39=        0.0000000251
 Unscaled step for mode   40=       -0.0000000079
 Unscaled step for mode   41=       -0.0000000114
 Unscaled step for mode   42=        0.0000000057
 Unscaled step for mode   43=       -0.0000000051
 Unscaled step for mode   44=        0.0000000023
 Unscaled step for mode   45=       -0.0000000136
 Unscaled step for mode   46=        0.0000000121
 Unscaled step for mode   47=        0.0000000419
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000219
 Unscaled step for mode   50=        0.0000000194
 Unscaled step for mode   51=        0.0000000183
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000225
 Unscaled step for mode   54=       -0.0000000073
 Unscaled step for mode   55=       -0.0000000435
 Unscaled step for mode   56=        0.0000000167
 Unscaled step for mode   57=       -0.0000000077
 Unscaled step for mode   58=       -0.0000000377
 Unscaled step for mode   59=        0.0000000237
 Unscaled step for mode   60=        0.0000000398
 Unscaled step for mode   61=        0.0000000315
 Unscaled step for mode   62=       -0.0000001040
 Unscaled step for mode   63=        0.0000000673
 Unscaled step for mode   64=        0.0000000115
 Unscaled step for mode   65=       -0.0000000131
 Unscaled step for mode   66=        0.0000000748
 Unscaled step for mode   67=        0.0000000063
 Unscaled step for mode   68=       -0.0000000204
 Unscaled step for mode   69=        0.0000000069
 Unscaled step for mode   70=       -0.0000000309
 Unscaled step for mode   71=        0.0000000019
 Unscaled step for mode   72=        0.0000001041
 Unscaled step for mode   73=        0.0000000305
 Unscaled step for mode   74=       -0.0000001369
 Unscaled step for mode   75=       -0.0000000757
 Unscaled step for mode   76=       -0.0000001122
 Unscaled step for mode   77=        0.0000000013
 Unscaled step for mode   78=        0.0000002136
 Unscaled step for mode   79=        0.0000002564
 Unscaled step for mode   80=        0.0000000525
 Unscaled step for mode   81=       -0.0000000724
 Unscaled step for mode   82=       -0.0000001338
 Unscaled step for mode   83=       -0.0000001089
 Unscaled step for mode   84=        0.0000000940
 Unscaled step for mode   85=        0.0000002093
 Unscaled step for mode   86=        0.0000002745
 Unscaled step for mode   87=        0.0000000927
 Unscaled step for mode   88=        0.0000000147
 Unscaled step for mode   89=        0.0000002645
 Unscaled step for mode   90=        0.0000001253
 Unscaled step for mode   91=        0.0000000235
 Unscaled step for mode   92=        0.0000002897
 Unscaled step for mode   93=       -0.0000004599
 Unscaled step for mode   94=       -0.0000001826
 Unscaled step for mode   95=        0.0000004799
 Unscaled step for mode   96=        0.0000001379
 Unscaled step for mode   97=        0.0000002986
 Unscaled step for mode   98=        0.0000002474
 Unscaled step for mode   99=       -0.0000003807
 Unscaled step for mode  100=        0.0000006515
 Unscaled step for mode  101=       -0.0000018400
 Unscaled step for mode  102=       -0.0000008959
 Unscaled step for mode  103=        0.0000007241
 Unscaled step for mode  104=        0.0000010324
 Unscaled step for mode  105=       -0.0000004245
 Unscaled step for mode  106=       -0.0000001937
 Unscaled step for mode  107=        0.0000031578
 Unscaled step for mode  108=        0.0000046599
 Unscaled step for mode  109=       -0.0000036109
 Unscaled step for mode  110=        0.0000017768
 Unscaled step for mode  111=        0.0000061830
 Unscaled step for mode  112=       -0.0000030259
 Unscaled step for mode  113=       -0.0001489597
 Unscaled step for mode  114=        0.0345621897
 Largest modulus ratio of non-zero e/values=           150.4669370    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.777373E-16    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.457316E-15    0.100775E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.136087E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.455040E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.758942E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.219958E-16    0.973470E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.268911E-06    0.717485E+03 -0.374796E-09 0.100000E-04    0.988018E+00
   8   -0.314422E-06    0.669973E+03  0.469306E-09 0.100000E-04    0.965725E+00
   9    0.497054E-06    0.622554E+03 -0.798411E-09 0.100000E-04    0.991206E+00
  10    0.117654E-05    0.602727E+03 -0.195202E-08 0.100000E-04    0.995136E+00
  11   -0.886101E-06    0.589591E+03  0.150291E-08 0.100000E-04    0.997339E+00
  12    0.230469E-05    0.563311E+03 -0.409133E-08 0.100000E-04    0.994673E+00
  13    0.209268E-05    0.560292E+03 -0.373498E-08 0.100000E-04    0.999790E+00
  14   -0.480554E-05    0.477611E+03  0.100616E-07 0.100000E-04    0.995350E+00
  15    0.148567E-05    0.471056E+03 -0.315392E-08 0.100000E-04    0.996609E+00
  16    0.748749E-06    0.463791E+03 -0.161441E-08 0.100000E-04    0.984840E+00
  17    0.649851E-06    0.441632E+03 -0.147148E-08 0.100000E-04    0.982674E+00
  18    0.250593E-05    0.432085E+03 -0.579964E-08 0.100000E-04    0.993230E+00
  19    0.474673E-05    0.420098E+03 -0.112991E-07 0.100000E-04    0.991026E+00
  20    0.659707E-05    0.405323E+03 -0.162761E-07 0.100000E-04    0.994561E+00
  21    0.328152E-05    0.398495E+03 -0.823479E-08 0.100000E-04    0.990388E+00
  22   -0.775506E-06    0.388207E+03  0.199766E-08 0.100000E-04    0.988317E+00
  23   -0.196606E-05    0.366930E+03  0.535814E-08 0.100000E-04    0.998759E+00
  24    0.173627E-05    0.364317E+03 -0.476582E-08 0.100000E-04    0.996009E+00
  25   -0.570980E-05    0.353037E+03  0.161734E-07 0.100000E-04    0.990801E+00
  26    0.823153E-05    0.344933E+03 -0.238642E-07 0.100000E-04    0.989500E+00
  27    0.639452E-05    0.323963E+03 -0.197385E-07 0.100000E-04    0.954457E+00
  28    0.243768E-05    0.323874E+03 -0.752664E-08 0.109000E-04    0.145677E+00
  29   -0.439879E-05    0.318938E+03  0.137920E-07 0.100000E-04    0.984634E+00
  30   -0.347886E-05    0.316032E+03  0.110080E-07 0.100000E-04    0.989843E+00
  31   -0.946293E-06    0.305405E+03  0.309849E-08 0.100000E-04    0.978721E+00
  32    0.235846E-06    0.287282E+03 -0.820954E-09 0.100000E-04    0.964237E+00
  33    0.290702E-05    0.280055E+03 -0.103802E-07 0.100000E-04    0.990170E+00
  34    0.127265E-05    0.271779E+03 -0.468265E-08 0.100000E-04    0.989977E+00
  35    0.848226E-05    0.265820E+03 -0.319098E-07 0.100000E-04    0.989948E+00
  36    0.110025E-05    0.261886E+03 -0.420126E-08 0.100000E-04    0.982933E+00
  37   -0.353346E-05    0.257655E+03  0.137140E-07 0.100000E-04    0.989036E+00
  38   -0.212281E-05    0.253367E+03  0.837839E-08 0.100000E-04    0.991959E+00
  39   -0.614089E-05    0.244559E+03  0.251100E-07 0.100000E-04    0.989305E+00
  40    0.188611E-05    0.239831E+03 -0.786432E-08 0.100000E-04    0.976736E+00
  41    0.265720E-05    0.233907E+03 -0.113601E-07 0.100000E-04    0.981302E+00
  42   -0.130813E-05    0.228402E+03  0.572729E-08 0.100000E-04    0.983294E+00
  43    0.115471E-05    0.225322E+03 -0.512473E-08 0.100000E-04    0.987036E+00
  44   -0.486010E-06    0.212957E+03  0.228219E-08 0.100000E-04    0.933600E+00
  45    0.288123E-05    0.211132E+03 -0.136466E-07 0.100000E-04    0.991443E+00
  46   -0.254600E-05    0.210028E+03  0.121222E-07 0.100000E-04    0.979293E+00
  47   -0.850217E-05    0.202844E+03  0.419149E-07 0.100000E-04    0.988482E+00
  48   -0.119937E-05    0.198744E+03  0.603474E-08 0.100000E-04    0.998184E+00
  49    0.428185E-05    0.195244E+03 -0.219308E-07 0.100000E-04    0.986784E+00
  50   -0.371999E-05    0.191681E+03  0.194072E-07 0.100000E-04    0.990081E+00
  51   -0.341317E-05    0.186526E+03  0.182986E-07 0.100000E-04    0.989523E+00
  52    0.456730E-06    0.178679E+03 -0.255614E-08 0.100000E-04    0.998062E+00
  53   -0.383804E-05    0.170676E+03  0.224873E-07 0.100000E-04    0.990657E+00
  54    0.122583E-05    0.168144E+03 -0.729035E-08 0.100000E-04    0.979057E+00
  55    0.720698E-05    0.165793E+03 -0.434697E-07 0.100000E-04    0.990137E+00
  56   -0.268820E-05    0.160694E+03  0.167287E-07 0.100000E-04    0.990620E+00
  57    0.118654E-05    0.153927E+03 -0.770846E-08 0.100000E-04    0.991789E+00
  58    0.569195E-05    0.151069E+03 -0.376779E-07 0.100000E-04    0.990584E+00
  59   -0.351573E-05    0.148350E+03  0.236989E-07 0.100000E-04    0.988642E+00
  60   -0.566442E-05    0.142409E+03  0.397757E-07 0.100000E-04    0.988698E+00
  61   -0.431670E-05    0.136886E+03  0.315350E-07 0.100000E-04    0.989177E+00
  62    0.139937E-04    0.134561E+03 -0.103995E-06 0.100000E-04    0.990822E+00
  63   -0.882348E-05    0.131032E+03  0.673382E-07 0.100000E-04    0.990333E+00
  64   -0.146668E-05    0.127710E+03  0.114844E-07 0.100000E-04    0.984706E+00
  65    0.164349E-05    0.125604E+03 -0.130847E-07 0.100000E-04    0.998488E+00
  66   -0.930468E-05    0.124318E+03  0.748458E-07 0.100000E-04    0.989565E+00
  67   -0.755432E-06    0.119425E+03  0.632558E-08 0.100000E-04    0.993276E+00
  68    0.240941E-05    0.117991E+03 -0.204203E-07 0.100000E-04    0.988378E+00
  69   -0.806745E-06    0.116257E+03  0.693931E-08 0.100000E-04    0.989397E+00
  70    0.348744E-05    0.112865E+03 -0.308991E-07 0.100000E-04    0.982045E+00
  71   -0.208314E-06    0.110423E+03  0.188652E-08 0.100000E-04    0.983382E+00
  72   -0.109985E-04    0.105698E+03  0.104056E-06 0.100000E-04    0.988417E+00
  73   -0.313856E-05    0.102834E+03  0.305206E-07 0.100000E-04    0.980055E+00
  74    0.137783E-04    0.100652E+03 -0.136891E-06 0.100000E-04    0.989720E+00
  75    0.735942E-05    0.972262E+02 -0.756939E-07 0.100000E-04    0.985218E+00
  76    0.106640E-04    0.950140E+02 -0.112236E-06 0.100000E-04    0.988477E+00
  77   -0.118679E-06    0.915279E+02  0.129665E-08 0.100000E-04    0.970550E+00
  78   -0.193155E-04    0.904225E+02  0.213614E-06 0.100000E-04    0.988002E+00
  79   -0.225072E-04    0.877892E+02  0.256378E-06 0.100000E-04    0.991323E+00
  80   -0.442941E-05    0.844370E+02  0.524581E-07 0.100000E-04    0.985757E+00
  81    0.585924E-05    0.809042E+02 -0.724220E-07 0.100000E-04    0.987943E+00
  82    0.105716E-04    0.790034E+02 -0.133812E-06 0.100000E-04    0.986578E+00
  83    0.857451E-05    0.787381E+02 -0.108899E-06 0.100000E-04    0.997308E+00
  84   -0.687221E-05    0.731194E+02  0.939861E-07 0.100000E-04    0.986956E+00
  85   -0.149094E-04    0.712314E+02  0.209309E-06 0.100000E-04    0.990153E+00
  86   -0.191306E-04    0.696808E+02  0.274546E-06 0.100000E-04    0.989741E+00
  87   -0.625888E-05    0.675527E+02  0.926518E-07 0.100000E-04    0.998430E+00
  88   -0.937393E-06    0.636564E+02  0.147258E-07 0.100000E-04    0.988605E+00
  89   -0.165024E-04    0.623867E+02  0.264517E-06 0.100000E-04    0.989491E+00
  90   -0.747308E-05    0.596608E+02  0.125259E-06 0.100000E-04    0.988110E+00
  91   -0.137571E-05    0.584713E+02  0.235280E-07 0.100000E-04    0.995399E+00
  92   -0.161777E-04    0.558339E+02  0.289747E-06 0.100000E-04    0.986255E+00
  93    0.246894E-04    0.536862E+02 -0.459884E-06 0.100000E-04    0.991247E+00
  94    0.956261E-05    0.523602E+02 -0.182631E-06 0.100000E-04    0.986453E+00
  95   -0.241334E-04    0.502875E+02  0.479908E-06 0.100000E-04    0.992142E+00
  96   -0.662286E-05    0.480403E+02  0.137861E-06 0.100000E-04    0.992396E+00
  97   -0.130789E-04    0.438000E+02  0.298605E-06 0.100000E-04    0.989056E+00
  98   -0.982511E-05    0.397135E+02  0.247400E-06 0.100000E-04    0.990698E+00
  99    0.143709E-04    0.377527E+02 -0.380658E-06 0.100000E-04    0.983034E+00
 100   -0.235287E-04    0.361157E+02  0.651481E-06 0.100000E-04    0.991551E+00
 101    0.635725E-04    0.345503E+02 -0.184000E-05 0.100000E-04    0.989502E+00
 102    0.267552E-04    0.298630E+02 -0.895931E-06 0.100000E-04    0.991202E+00
 103   -0.210159E-04    0.290253E+02  0.724053E-06 0.100000E-04    0.989723E+00
 104   -0.296296E-04    0.286989E+02  0.103243E-05 0.100000E-04    0.991710E+00
 105    0.100268E-04    0.236205E+02 -0.424497E-06 0.100000E-04    0.980629E+00
 106    0.423648E-05    0.218712E+02 -0.193701E-06 0.100000E-04    0.998959E+00
 107   -0.619583E-04    0.196210E+02  0.315775E-05 0.100000E-04    0.988457E+00
 108   -0.769333E-04    0.165096E+02  0.465992E-05 0.100000E-04    0.995071E+00
 109    0.503058E-04    0.139316E+02 -0.361092E-05 0.100000E-04    0.992325E+00
 110   -0.226692E-04    0.127583E+02  0.177682E-05 0.100000E-04    0.971777E+00
 111   -0.729518E-04    0.117988E+02  0.618300E-05 0.100000E-04    0.988104E+00
 112    0.282942E-04    0.935062E+01 -0.302591E-05 0.100000E-04    0.998404E+00
 113    0.112543E-02    0.755528E+01 -0.100000E-04 0.100000E-04    0.314945E+00
 114    0.165003E+00    0.476839E+01  0.400000E-03 0.400000E-03    0.710907E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3456218966E-01

 Beginning of optimization cycle   67.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4001331990
 potential> RMS force:                                               0.0156329358   |gradient|=.1669140785    
 Eigenvalues of the Hessian matrix:
   717.54422    669.99311    622.58031    602.74839    589.59516    563.33435 
   560.32996    477.62568    471.03424    463.77896    441.62838    432.07333 
   420.10520    405.33325    398.49174    388.21260    366.93026    364.30634 
   353.02613    344.89188    323.96226    323.84931    318.93211    316.05185 
   305.40359    287.28324    280.05243    271.77103    265.81762    261.89254 
   257.65466    253.36744    244.54362    239.82068    233.91597    228.40521 
   225.30357    212.95019    211.12964    210.02558    202.84524    198.73911 
   195.24704    191.67887    186.52315    178.66446    170.67564    168.14448 
   165.79204    160.69183    153.91988    151.06832    148.35699    142.41407 
   136.88663    134.56544    131.03179    127.70975    125.60763    124.32604 
   119.42463    117.98971    116.26139    112.85888    110.41644    105.69441 
   102.83349    100.64742     97.22657     95.01486     91.52127     90.42747 
    87.80015     84.43773     80.90336     79.00536     78.73785     73.11658 
    71.23455     69.67243     67.55655     63.65159     62.38341     59.66088 
    58.47442     55.83331     53.68533     52.35839     50.28810     48.03959 
    43.79555     39.71668     37.74484     36.11824     34.55600     29.85335 
    29.02411     28.69943     23.61494     21.87197     19.61889     16.51377 
    13.92930     12.75320     11.79200      9.35257      7.55656      4.77020 
overlap for current and previous eigenvector    109 is         0.9999939674
overlap for current and previous eigenvector    110 is         0.9999895750
overlap for current and previous eigenvector    111 is        -0.9999873615
overlap for current and previous eigenvector    112 is        -0.9999996382
overlap for current and previous eigenvector    113 is        -0.9999993016
overlap for current and previous eigenvector    114 is        -0.9999991647
J1,K1,R1,R2,RAT=   7   7    0.1231845892E-01     1.987516930        0.9875169299    
FOB,PFOB,DIAG,PSTEP=    0.2655980666E-06    0.2689109073E-06     717.5442238       -0.3747964697E-09
J1,K1,R1,R2,RAT=   8   8   -0.3338928885E-01     2.033330727        0.9666107111    
FOB,PFOB,DIAG,PSTEP=   -0.3249211050E-06   -0.3144224554E-06     669.9931082        0.4693058157E-09
J1,K1,R1,R2,RAT=   9   9   -0.8668120126E-02     2.008584621        0.9913318799    
FOB,PFOB,DIAG,PSTEP=    0.5013631473E-06    0.4970544399E-06     622.5803142       -0.7984113554E-09
J1,K1,R1,R2,RAT=  10  10   -0.4802607340E-02     2.004733156        0.9951973927    
FOB,PFOB,DIAG,PSTEP=    0.1182187780E-05    0.1176537138E-05     602.7483867       -0.1952021808E-08
J1,K1,R1,R2,RAT=  11  11   -0.2621449325E-02     2.002607812        0.9973785507    
FOB,PFOB,DIAG,PSTEP=   -0.8884235573E-06   -0.8861006734E-06     589.5951556        0.1502907049E-08
J1,K1,R1,R2,RAT= 109 109   -0.7550140464E-02     2.007875170        0.9924498595    
FOB,PFOB,DIAG,PSTEP=    0.5068551159E-04    0.5030575777E-04     13.92930449       -0.3610918528E-05
J1,K1,R1,R2,RAT= 110 110   -0.2790990323E-01     2.028706433        0.9720900968    
FOB,PFOB,DIAG,PSTEP=   -0.2330161530E-04   -0.2266917277E-04     12.75319909        0.1776820691E-05
J1,K1,R1,R2,RAT= 111 111     2.012858335       -0.1171041673E-01    0.9882895833    
FOB,PFOB,DIAG,PSTEP=    0.7380560512E-04   -0.7295179920E-04     11.79199955        0.6183001580E-05
J1,K1,R1,R2,RAT= 112 112     1.998152346        0.1429495475E-02    0.9981523459    
FOB,PFOB,DIAG,PSTEP=   -0.2825370897E-04    0.2829416381E-04     9.352571467       -0.3025914410E-05
J1,K1,R1,R2,RAT= 113 113     30.48535931       -0.6984641318        0.3015358682    
FOB,PFOB,DIAG,PSTEP=   -0.1178211559E-02    0.1125431725E-02     7.556556118       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -173.9514304        0.9992731068        0.7268932118E-03
FOB,PFOB,DIAG,PSTEP=   -0.1669098240        0.1650031326         4.770195852        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00000     -0.00001      0.00001      0.00000      0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00001     -0.00001     -0.00000      0.00002 
    -0.00002     -0.00000      0.00001     -0.00001     -0.00001      0.00001 
     0.00002     -0.00002      0.00001     -0.00000     -0.00002      0.00001 
     0.00000     -0.00002     -0.00002     -0.00001     -0.00002     -0.00001 
    -0.00001      0.00001     -0.00001     -0.00002      0.00006      0.00003 
    -0.00002     -0.00003      0.00001      0.00000      0.00006     -0.00008 
     0.00005     -0.00002      0.00007     -0.00003     -0.00118     -0.16691 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4353902325
 Log product of positive Hessian eigenvalues =          520.4803891362
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7701958518
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000041
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000101
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000016
 Unscaled step for mode   17=       -0.0000000015
 Unscaled step for mode   18=       -0.0000000058
 Unscaled step for mode   19=       -0.0000000114
 Unscaled step for mode   20=       -0.0000000164
 Unscaled step for mode   21=       -0.0000000083
 Unscaled step for mode   22=        0.0000000020
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000163
 Unscaled step for mode   26=       -0.0000000241
 Unscaled step for mode   27=       -0.0000000188
 Unscaled step for mode   28=       -0.0000000100
 Unscaled step for mode   29=        0.0000000140
 Unscaled step for mode   30=        0.0000000111
 Unscaled step for mode   31=        0.0000000032
 Unscaled step for mode   32=       -0.0000000008
 Unscaled step for mode   33=       -0.0000000105
 Unscaled step for mode   34=       -0.0000000047
 Unscaled step for mode   35=       -0.0000000322
 Unscaled step for mode   36=       -0.0000000043
 Unscaled step for mode   37=        0.0000000139
 Unscaled step for mode   38=        0.0000000084
 Unscaled step for mode   39=        0.0000000254
 Unscaled step for mode   40=       -0.0000000080
 Unscaled step for mode   41=       -0.0000000116
 Unscaled step for mode   42=        0.0000000058
 Unscaled step for mode   43=       -0.0000000052
 Unscaled step for mode   44=        0.0000000024
 Unscaled step for mode   45=       -0.0000000138
 Unscaled step for mode   46=        0.0000000124
 Unscaled step for mode   47=        0.0000000424
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000222
 Unscaled step for mode   50=        0.0000000196
 Unscaled step for mode   51=        0.0000000185
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000227
 Unscaled step for mode   54=       -0.0000000074
 Unscaled step for mode   55=       -0.0000000439
 Unscaled step for mode   56=        0.0000000169
 Unscaled step for mode   57=       -0.0000000078
 Unscaled step for mode   58=       -0.0000000380
 Unscaled step for mode   59=       -0.0000000240
 Unscaled step for mode   60=       -0.0000000402
 Unscaled step for mode   61=        0.0000000319
 Unscaled step for mode   62=        0.0000001049
 Unscaled step for mode   63=       -0.0000000680
 Unscaled step for mode   64=       -0.0000000117
 Unscaled step for mode   65=       -0.0000000131
 Unscaled step for mode   66=        0.0000000756
 Unscaled step for mode   67=       -0.0000000064
 Unscaled step for mode   68=        0.0000000207
 Unscaled step for mode   69=       -0.0000000069
 Unscaled step for mode   70=       -0.0000000314
 Unscaled step for mode   71=        0.0000000019
 Unscaled step for mode   72=        0.0000001053
 Unscaled step for mode   73=        0.0000000311
 Unscaled step for mode   74=       -0.0000001383
 Unscaled step for mode   75=        0.0000000768
 Unscaled step for mode   76=        0.0000001135
 Unscaled step for mode   77=        0.0000000013
 Unscaled step for mode   78=       -0.0000002161
 Unscaled step for mode   79=        0.0000002585
 Unscaled step for mode   80=        0.0000000532
 Unscaled step for mode   81=       -0.0000000733
 Unscaled step for mode   82=        0.0000001356
 Unscaled step for mode   83=        0.0000001086
 Unscaled step for mode   84=       -0.0000000952
 Unscaled step for mode   85=       -0.0000002113
 Unscaled step for mode   86=        0.0000002774
 Unscaled step for mode   87=       -0.0000000928
 Unscaled step for mode   88=        0.0000000145
 Unscaled step for mode   89=        0.0000002673
 Unscaled step for mode   90=       -0.0000001267
 Unscaled step for mode   91=       -0.0000000234
 Unscaled step for mode   92=        0.0000002937
 Unscaled step for mode   93=        0.0000004639
 Unscaled step for mode   94=        0.0000001851
 Unscaled step for mode   95=        0.0000004836
 Unscaled step for mode   96=        0.0000001389
 Unscaled step for mode   97=        0.0000003019
 Unscaled step for mode   98=       -0.0000002497
 Unscaled step for mode   99=        0.0000003872
 Unscaled step for mode  100=        0.0000006569
 Unscaled step for mode  101=       -0.0000018587
 Unscaled step for mode  102=       -0.0000009040
 Unscaled step for mode  103=        0.0000007314
 Unscaled step for mode  104=        0.0000010408
 Unscaled step for mode  105=       -0.0000004327
 Unscaled step for mode  106=       -0.0000001935
 Unscaled step for mode  107=       -0.0000031941
 Unscaled step for mode  108=        0.0000046809
 Unscaled step for mode  109=       -0.0000036388
 Unscaled step for mode  110=        0.0000018271
 Unscaled step for mode  111=       -0.0000062590
 Unscaled step for mode  112=        0.0000030210
 Unscaled step for mode  113=        0.0001559191
 Unscaled step for mode  114=       -0.0349474065
 Largest modulus ratio of non-zero e/values=           150.4223822    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.801984E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.122992E-14    0.100775E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.161674E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.203125E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.815320E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.524103E-15    0.973472E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.265598E-06    0.717544E+03 -0.370149E-09 0.100000E-04    0.987517E+00
   8   -0.324921E-06    0.669993E+03  0.484962E-09 0.100000E-04    0.966611E+00
   9    0.501363E-06    0.622580E+03 -0.805299E-09 0.100000E-04    0.991332E+00
  10    0.118219E-05    0.602748E+03 -0.196133E-08 0.100000E-04    0.995197E+00
  11   -0.888424E-06    0.589595E+03  0.150684E-08 0.100000E-04    0.997379E+00
  12    0.231686E-05    0.563334E+03 -0.411277E-08 0.100000E-04    0.994721E+00
  13    0.209229E-05    0.560330E+03 -0.373403E-08 0.100000E-04    0.999680E+00
  14   -0.482753E-05    0.477626E+03  0.101074E-07 0.100000E-04    0.995424E+00
  15    0.149064E-05    0.471034E+03 -0.316461E-08 0.100000E-04    0.996655E+00
  16    0.760029E-06    0.463779E+03 -0.163877E-08 0.100000E-04    0.984935E+00
  17    0.660998E-06    0.441628E+03 -0.149673E-08 0.100000E-04    0.982847E+00
  18    0.252275E-05    0.432073E+03 -0.583870E-08 0.100000E-04    0.993290E+00
  19    0.478901E-05    0.420105E+03 -0.113995E-07 0.100000E-04    0.991094E+00
  20    0.663249E-05    0.405333E+03 -0.163631E-07 0.100000E-04    0.994630E+00
  21    0.331275E-05    0.398492E+03 -0.831321E-08 0.100000E-04    0.990485E+00
  22   -0.766130E-06    0.388213E+03  0.197348E-08 0.100000E-04    0.987881E+00
  23   -0.196834E-05    0.366930E+03  0.536433E-08 0.100000E-04    0.998844E+00
  24    0.174303E-05    0.364306E+03 -0.478452E-08 0.100000E-04    0.996104E+00
  25   -0.576192E-05    0.353026E+03  0.163215E-07 0.100000E-04    0.990872E+00
  26    0.831734E-05    0.344892E+03 -0.241158E-07 0.100000E-04    0.989573E+00
  27    0.608493E-05    0.323962E+03 -0.187828E-07 0.100000E-04    0.951584E+00
  28    0.323426E-05    0.323849E+03 -0.998692E-08 0.100000E-04    0.673199E+00
  29   -0.446583E-05    0.318932E+03  0.140024E-07 0.100000E-04    0.984759E+00
  30   -0.351433E-05    0.316052E+03  0.111195E-07 0.100000E-04    0.989806E+00
  31   -0.966210E-06    0.305404E+03  0.316371E-08 0.100000E-04    0.978953E+00
  32    0.226925E-06    0.287283E+03 -0.789898E-09 0.100000E-04    0.962167E+00
  33    0.293537E-05    0.280052E+03 -0.104815E-07 0.100000E-04    0.990249E+00
  34    0.128537E-05    0.271771E+03 -0.472961E-08 0.100000E-04    0.990001E+00
  35    0.856677E-05    0.265818E+03 -0.322280E-07 0.100000E-04    0.990037E+00
  36    0.111898E-05    0.261893E+03 -0.427267E-08 0.100000E-04    0.982978E+00
  37   -0.357194E-05    0.257655E+03  0.138633E-07 0.100000E-04    0.989112E+00
  38   -0.213971E-05    0.253367E+03  0.844510E-08 0.100000E-04    0.992037E+00
  39   -0.620594E-05    0.244544E+03  0.253777E-07 0.100000E-04    0.989405E+00
  40    0.192952E-05    0.239821E+03 -0.804566E-08 0.100000E-04    0.976984E+00
  41    0.270648E-05    0.233916E+03 -0.115703E-07 0.100000E-04    0.981455E+00
  42   -0.132978E-05    0.228405E+03  0.582201E-08 0.100000E-04    0.983449E+00
  43    0.116963E-05    0.225304E+03 -0.519135E-08 0.100000E-04    0.987081E+00
  44   -0.516871E-06    0.212950E+03  0.242719E-08 0.100000E-04    0.936499E+00
  45    0.290516E-05    0.211130E+03 -0.137601E-07 0.100000E-04    0.991697E+00
  46   -0.259842E-05    0.210026E+03  0.123719E-07 0.100000E-04    0.979412E+00
  47   -0.859926E-05    0.202845E+03  0.423932E-07 0.100000E-04    0.988581E+00
  48   -0.119693E-05    0.198739E+03  0.602260E-08 0.100000E-04    0.997962E+00
  49    0.433799E-05    0.195247E+03 -0.222179E-07 0.100000E-04    0.986889E+00
  50   -0.375652E-05    0.191679E+03  0.195980E-07 0.100000E-04    0.990180E+00
  51   -0.344862E-05    0.186523E+03  0.184890E-07 0.100000E-04    0.989612E+00
  52    0.457535E-06    0.178664E+03 -0.256086E-08 0.100000E-04    0.998238E+00
  53   -0.387350E-05    0.170676E+03  0.226951E-07 0.100000E-04    0.990761E+00
  54    0.125126E-05    0.168144E+03 -0.744157E-08 0.100000E-04    0.979257E+00
  55    0.727735E-05    0.165792E+03 -0.438945E-07 0.100000E-04    0.990235E+00
  56   -0.271315E-05    0.160692E+03  0.168842E-07 0.100000E-04    0.990719E+00
  57    0.119624E-05    0.153920E+03 -0.777180E-08 0.100000E-04    0.991827E+00
  58    0.574509E-05    0.151068E+03 -0.380297E-07 0.100000E-04    0.990665E+00
  59    0.355520E-05    0.148357E+03 -0.239638E-07 0.100000E-04    0.988772E+00
  60    0.572781E-05    0.142414E+03 -0.402194E-07 0.100000E-04    0.988809E+00
  61   -0.436305E-05    0.136887E+03  0.318735E-07 0.100000E-04    0.989261E+00
  62   -0.141207E-04    0.134565E+03  0.104936E-06 0.100000E-04    0.990924E+00
  63    0.890789E-05    0.131032E+03 -0.679827E-07 0.100000E-04    0.990433E+00
  64    0.148903E-05    0.127710E+03 -0.116595E-07 0.100000E-04    0.984762E+00
  65    0.164556E-05    0.125608E+03 -0.131008E-07 0.100000E-04    0.998740E+00
  66   -0.940084E-05    0.124326E+03  0.756144E-07 0.100000E-04    0.989666E+00
  67    0.760490E-06    0.119425E+03 -0.636795E-08 0.100000E-04    0.993304E+00
  68   -0.243717E-05    0.117990E+03  0.206558E-07 0.100000E-04    0.988479E+00
  69    0.797877E-06    0.116261E+03 -0.686279E-08 0.100000E-04    0.988938E+00
  70    0.354935E-05    0.112859E+03 -0.314495E-07 0.100000E-04    0.982245E+00
  71   -0.204623E-06    0.110416E+03  0.185319E-08 0.100000E-04    0.982281E+00
  72   -0.111248E-04    0.105694E+03  0.105254E-06 0.100000E-04    0.988518E+00
  73   -0.320052E-05    0.102833E+03  0.311234E-07 0.100000E-04    0.980258E+00
  74    0.139183E-04    0.100647E+03 -0.138288E-06 0.100000E-04    0.989839E+00
  75   -0.746742E-05    0.972266E+02  0.768043E-07 0.100000E-04    0.985325E+00
  76   -0.107857E-04    0.950149E+02  0.113516E-06 0.100000E-04    0.988591E+00
  77   -0.122171E-06    0.915213E+02  0.133490E-08 0.100000E-04    0.970573E+00
  78    0.195451E-04    0.904275E+02 -0.216141E-06 0.100000E-04    0.988114E+00
  79   -0.226995E-04    0.878002E+02  0.258536E-06 0.100000E-04    0.991460E+00
  80   -0.449192E-05    0.844377E+02  0.531981E-07 0.100000E-04    0.985886E+00
  81    0.592910E-05    0.809034E+02 -0.732862E-07 0.100000E-04    0.988078E+00
  82   -0.107098E-04    0.790054E+02  0.135557E-06 0.100000E-04    0.986931E+00
  83   -0.855061E-05    0.787379E+02  0.108596E-06 0.100000E-04    0.997213E+00
  84    0.696110E-05    0.731166E+02 -0.952055E-07 0.100000E-04    0.987064E+00
  85    0.150547E-04    0.712346E+02 -0.211339E-06 0.100000E-04    0.990256E+00
  86   -0.193243E-04    0.696724E+02  0.277360E-06 0.100000E-04    0.989871E+00
  87    0.626726E-05    0.675566E+02 -0.927706E-07 0.100000E-04    0.998662E+00
  88   -0.925762E-06    0.636516E+02  0.145442E-07 0.100000E-04    0.987591E+00
  89   -0.166739E-04    0.623834E+02  0.267281E-06 0.100000E-04    0.989603E+00
  90    0.756095E-05    0.596609E+02 -0.126732E-06 0.100000E-04    0.988241E+00
  91    0.136913E-05    0.584744E+02 -0.234142E-07 0.100000E-04    0.995110E+00
  92   -0.163978E-04    0.558333E+02  0.293693E-06 0.100000E-04    0.986392E+00
  93   -0.249021E-04    0.536853E+02  0.463853E-06 0.100000E-04    0.991385E+00
  94   -0.969091E-05    0.523584E+02  0.185088E-06 0.100000E-04    0.986583E+00
  95   -0.243199E-04    0.502881E+02  0.483611E-06 0.100000E-04    0.992272E+00
  96   -0.667248E-05    0.480396E+02  0.138895E-06 0.100000E-04    0.992507E+00
  97   -0.132204E-04    0.437956E+02  0.301866E-06 0.100000E-04    0.989181E+00
  98    0.991552E-05    0.397167E+02 -0.249656E-06 0.100000E-04    0.990800E+00
  99   -0.146129E-04    0.377448E+02  0.387151E-06 0.100000E-04    0.983151E+00
 100   -0.237244E-04    0.361182E+02  0.656855E-06 0.100000E-04    0.991680E+00
 101    0.642307E-04    0.345560E+02 -0.185874E-05 0.100000E-04    0.989649E+00
 102    0.269881E-04    0.298533E+02 -0.904022E-06 0.100000E-04    0.991292E+00
 103   -0.212290E-04    0.290241E+02  0.731428E-06 0.100000E-04    0.989856E+00
 104   -0.298712E-04    0.286994E+02  0.104083E-05 0.100000E-04    0.991845E+00
 105    0.102183E-04    0.236149E+02 -0.432705E-06 0.100000E-04    0.980902E+00
 106    0.423134E-05    0.218720E+02 -0.193460E-06 0.100000E-04    0.998718E+00
 107    0.626637E-04    0.196189E+02 -0.319405E-05 0.100000E-04    0.988613E+00
 108   -0.773001E-04    0.165138E+02  0.468095E-05 0.100000E-04    0.995233E+00
 109    0.506855E-04    0.139293E+02 -0.363877E-05 0.100000E-04    0.992450E+00
 110   -0.233016E-04    0.127532E+02  0.182712E-05 0.100000E-04    0.972090E+00
 111    0.738056E-04    0.117920E+02 -0.625896E-05 0.100000E-04    0.988290E+00
 112   -0.282537E-04    0.935257E+01  0.302096E-05 0.100000E-04    0.998152E+00
 113   -0.117821E-02    0.755656E+01  0.100000E-04 0.100000E-04    0.301536E+00
 114   -0.166910E+00    0.477020E+01 -0.400000E-03 0.400000E-03    0.726893E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3494740649E-01

 Beginning of optimization cycle   68.
 -------------------------------------
 potential> Energy for last cycle=                                -169.4000660657
 potential> RMS force:                                               0.0158116087   |gradient|=.1688217832    
 Eigenvalues of the Hessian matrix:
   717.60330    670.01268    622.60620    602.76917    589.59907    563.35736 
   560.36771    477.63994    471.01227    463.76652    441.62456    432.06210 
   420.11276    405.34383    398.48831    388.21814    366.93040    364.29574 
   353.01535    344.85125    323.96426    323.82253    318.92643    316.07196 
   305.40253    287.28421    280.04943    271.76345    265.81563    261.89863 
   257.65461    253.36781    244.52793    239.81038    233.92511    228.40803 
   225.28527    212.94308    211.12794    210.02318    202.84688    198.73391 
   195.25022    191.67717    186.52041    178.64963    170.67561    168.14451 
   165.79071    160.68960    153.91321    151.06782    148.36401    142.41892 
   136.88736    134.56941    131.03133    127.70913    125.61105    124.33406 
   119.42432    117.98840    116.26550    112.85247    110.41023    105.69046 
   102.83290    100.64323     97.22695     95.01570     91.51463     90.43244 
    87.81109     84.43845     80.90254     79.00737     78.73750     73.11376 
    71.23766     69.66404     67.56039     63.64682     62.38005     59.66094 
    58.47751     55.83276     53.68446     52.35658     50.28872     48.03892 
    43.79111     39.71983     37.73697     36.12078     34.56179     29.84369 
    29.02292     28.69994     23.60934     21.87274     19.61684     16.51792 
    13.92706     12.74814     11.78516      9.35453      7.55782      4.77196 
overlap for current and previous eigenvector    109 is         0.9999940382
overlap for current and previous eigenvector    110 is        -0.9999895614
overlap for current and previous eigenvector    111 is        -0.9999872972
overlap for current and previous eigenvector    112 is         0.9999996373
overlap for current and previous eigenvector    113 is         0.9999993017
overlap for current and previous eigenvector    114 is        -0.9999991687
J1,K1,R1,R2,RAT=   7   7    0.1283769979E-01     1.986997664        0.9869976639    
FOB,PFOB,DIAG,PSTEP=    0.2621881177E-06    0.2655980666E-06     717.6032956       -0.3701487070E-09
J1,K1,R1,R2,RAT=   8   8   -0.3255126082E-01     2.032492850        0.9674487392    
FOB,PFOB,DIAG,PSTEP=   -0.3354980055E-06   -0.3249211050E-06     670.0126763        0.4849618616E-09
J1,K1,R1,R2,RAT=   9   9   -0.8543141184E-02     2.008459995        0.9914568588    
FOB,PFOB,DIAG,PSTEP=    0.5056465416E-06    0.5013631473E-06     622.6061979       -0.8052987476E-09
J1,K1,R1,R2,RAT=  10  10   -0.4742075680E-02     2.004673107        0.9952579243    
FOB,PFOB,DIAG,PSTEP=    0.1187793997E-05    0.1182187780E-05     602.7691727       -0.1961328817E-08
J1,K1,R1,R2,RAT=  11  11   -0.2582277117E-02     2.002568984        0.9974177229    
FOB,PFOB,DIAG,PSTEP=   -0.8907177283E-06   -0.8884235573E-06     589.5990746        0.1506836596E-08
J1,K1,R1,R2,RAT= 109 109   -0.7428392254E-02     2.007750562        0.9925716077    
FOB,PFOB,DIAG,PSTEP=    0.5106196281E-04    0.5068551159E-04     13.92706105       -0.3638768298E-05
J1,K1,R1,R2,RAT= 110 110     2.028391514       -0.2759824338E-01    0.9724017566    
FOB,PFOB,DIAG,PSTEP=    0.2394444399E-04   -0.2330161530E-04     12.74814273        0.1827119230E-05
J1,K1,R1,R2,RAT= 111 111     2.012688733       -0.1152763367E-01    0.9884723663    
FOB,PFOB,DIAG,PSTEP=   -0.7465591545E-04    0.7380560512E-04     11.78515769       -0.6258955894E-05
J1,K1,R1,R2,RAT= 112 112    0.1679809579E-02     1.997902425        0.9979024255    
FOB,PFOB,DIAG,PSTEP=   -0.2820623821E-04   -0.2825370897E-04     9.354525463        0.3020956223E-05
J1,K1,R1,R2,RAT= 113 113   -0.7117278652         31.89033026        0.2882721348    
FOB,PFOB,DIAG,PSTEP=   -0.1232002681E-02   -0.1178211559E-02     7.557821511        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -175.8851488        0.9992568648        0.7431351503E-03
FOB,PFOB,DIAG,PSTEP=    0.1688171910       -0.1669098240         4.771963654       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000      0.00000      0.00001     -0.00000      0.00001 
     0.00000     -0.00001      0.00001      0.00000     -0.00000      0.00001 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00001 
     0.00000     -0.00001     -0.00001     -0.00001     -0.00000     -0.00002 
    -0.00002     -0.00000      0.00001     -0.00001      0.00001     -0.00001 
    -0.00002      0.00002      0.00001     -0.00000     -0.00002      0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00002     -0.00001 
    -0.00001      0.00001     -0.00001      0.00002     -0.00006     -0.00003 
     0.00002      0.00003     -0.00001     -0.00000     -0.00006     -0.00008 
     0.00005      0.00002     -0.00007     -0.00003     -0.00123      0.16882 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4354570594
 Log product of positive Hessian eigenvalues =          520.4792480951
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7719636539
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000041
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000102
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000017
 Unscaled step for mode   17=       -0.0000000015
 Unscaled step for mode   18=       -0.0000000059
 Unscaled step for mode   19=       -0.0000000115
 Unscaled step for mode   20=       -0.0000000164
 Unscaled step for mode   21=       -0.0000000084
 Unscaled step for mode   22=        0.0000000019
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000165
 Unscaled step for mode   26=        0.0000000244
 Unscaled step for mode   27=        0.0000000181
 Unscaled step for mode   28=       -0.0000000115
 Unscaled step for mode   29=        0.0000000142
 Unscaled step for mode   30=        0.0000000112
 Unscaled step for mode   31=        0.0000000032
 Unscaled step for mode   32=       -0.0000000008
 Unscaled step for mode   33=       -0.0000000106
 Unscaled step for mode   34=       -0.0000000048
 Unscaled step for mode   35=       -0.0000000325
 Unscaled step for mode   36=       -0.0000000043
 Unscaled step for mode   37=        0.0000000140
 Unscaled step for mode   38=        0.0000000085
 Unscaled step for mode   39=        0.0000000256
 Unscaled step for mode   40=       -0.0000000082
 Unscaled step for mode   41=       -0.0000000118
 Unscaled step for mode   42=        0.0000000059
 Unscaled step for mode   43=       -0.0000000053
 Unscaled step for mode   44=        0.0000000026
 Unscaled step for mode   45=       -0.0000000139
 Unscaled step for mode   46=        0.0000000126
 Unscaled step for mode   47=        0.0000000429
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000225
 Unscaled step for mode   50=        0.0000000198
 Unscaled step for mode   51=        0.0000000187
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000229
 Unscaled step for mode   54=       -0.0000000076
 Unscaled step for mode   55=        0.0000000443
 Unscaled step for mode   56=       -0.0000000170
 Unscaled step for mode   57=       -0.0000000078
 Unscaled step for mode   58=       -0.0000000384
 Unscaled step for mode   59=        0.0000000242
 Unscaled step for mode   60=       -0.0000000407
 Unscaled step for mode   61=       -0.0000000322
 Unscaled step for mode   62=        0.0000001059
 Unscaled step for mode   63=       -0.0000000686
 Unscaled step for mode   64=       -0.0000000118
 Unscaled step for mode   65=        0.0000000131
 Unscaled step for mode   66=       -0.0000000764
 Unscaled step for mode   67=       -0.0000000064
 Unscaled step for mode   68=        0.0000000209
 Unscaled step for mode   69=       -0.0000000068
 Unscaled step for mode   70=       -0.0000000320
 Unscaled step for mode   71=        0.0000000018
 Unscaled step for mode   72=        0.0000001065
 Unscaled step for mode   73=       -0.0000000317
 Unscaled step for mode   74=        0.0000001397
 Unscaled step for mode   75=        0.0000000779
 Unscaled step for mode   76=        0.0000001148
 Unscaled step for mode   77=        0.0000000014
 Unscaled step for mode   78=        0.0000002187
 Unscaled step for mode   79=        0.0000002607
 Unscaled step for mode   80=        0.0000000539
 Unscaled step for mode   81=       -0.0000000742
 Unscaled step for mode   82=        0.0000001373
 Unscaled step for mode   83=       -0.0000001083
 Unscaled step for mode   84=        0.0000000964
 Unscaled step for mode   85=        0.0000002134
 Unscaled step for mode   86=       -0.0000002802
 Unscaled step for mode   87=       -0.0000000929
 Unscaled step for mode   88=        0.0000000143
 Unscaled step for mode   89=        0.0000002700
 Unscaled step for mode   90=       -0.0000001282
 Unscaled step for mode   91=       -0.0000000233
 Unscaled step for mode   92=       -0.0000002977
 Unscaled step for mode   93=        0.0000004678
 Unscaled step for mode   94=        0.0000001876
 Unscaled step for mode   95=        0.0000004873
 Unscaled step for mode   96=        0.0000001399
 Unscaled step for mode   97=        0.0000003051
 Unscaled step for mode   98=       -0.0000002519
 Unscaled step for mode   99=        0.0000003937
 Unscaled step for mode  100=       -0.0000006622
 Unscaled step for mode  101=        0.0000018774
 Unscaled step for mode  102=        0.0000009121
 Unscaled step for mode  103=       -0.0000007388
 Unscaled step for mode  104=       -0.0000010492
 Unscaled step for mode  105=        0.0000004410
 Unscaled step for mode  106=        0.0000001932
 Unscaled step for mode  107=        0.0000032303
 Unscaled step for mode  108=        0.0000047013
 Unscaled step for mode  109=       -0.0000036664
 Unscaled step for mode  110=       -0.0000018783
 Unscaled step for mode  111=        0.0000063347
 Unscaled step for mode  112=        0.0000030153
 Unscaled step for mode  113=        0.0001630103
 Unscaled step for mode  114=        0.0353327166
 Largest modulus ratio of non-zero e/values=           150.3790363    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.624717E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.233320E-15    0.100775E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.349775E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.122732E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.876469E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.496741E-15    0.973473E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.262188E-06    0.717603E+03 -0.365366E-09 0.100000E-04    0.986998E+00
   8   -0.335498E-06    0.670013E+03  0.500734E-09 0.100000E-04    0.967449E+00
   9    0.505647E-06    0.622606E+03 -0.812145E-09 0.100000E-04    0.991457E+00
  10    0.118779E-05    0.602769E+03 -0.197056E-08 0.100000E-04    0.995258E+00
  11   -0.890718E-06    0.589599E+03  0.151072E-08 0.100000E-04    0.997418E+00
  12    0.232898E-05    0.563357E+03 -0.413412E-08 0.100000E-04    0.994768E+00
  13    0.209167E-05    0.560368E+03 -0.373268E-08 0.100000E-04    0.999570E+00
  14   -0.484927E-05    0.477640E+03  0.101526E-07 0.100000E-04    0.995497E+00
  15    0.149556E-05    0.471012E+03 -0.317520E-08 0.100000E-04    0.996702E+00
  16    0.771408E-06    0.463767E+03 -0.166335E-08 0.100000E-04    0.985028E+00
  17    0.672224E-06    0.441625E+03 -0.152216E-08 0.100000E-04    0.983017E+00
  18    0.253952E-05    0.432062E+03 -0.587768E-08 0.100000E-04    0.993350E+00
  19    0.483134E-05    0.420113E+03 -0.115001E-07 0.100000E-04    0.991160E+00
  20    0.666766E-05    0.405344E+03 -0.164494E-07 0.100000E-04    0.994699E+00
  21    0.334395E-05    0.398488E+03 -0.839158E-08 0.100000E-04    0.990582E+00
  22   -0.756522E-06    0.388218E+03  0.194870E-08 0.100000E-04    0.987432E+00
  23   -0.197045E-05    0.366930E+03  0.537008E-08 0.100000E-04    0.998928E+00
  24    0.174966E-05    0.364296E+03 -0.480285E-08 0.100000E-04    0.996199E+00
  25   -0.581411E-05    0.353015E+03  0.164698E-07 0.100000E-04    0.990942E+00
  26   -0.840345E-05    0.344851E+03  0.243683E-07 0.100000E-04    0.989646E+00
  27   -0.586059E-05    0.323964E+03  0.180902E-07 0.100000E-04    0.963121E+00
  28    0.371387E-05    0.323823E+03 -0.114688E-07 0.100000E-04    0.851698E+00
  29   -0.453334E-05    0.318926E+03  0.142144E-07 0.100000E-04    0.984883E+00
  30   -0.355030E-05    0.316072E+03  0.112326E-07 0.100000E-04    0.989766E+00
  31   -0.986326E-06    0.305403E+03  0.322959E-08 0.100000E-04    0.979180E+00
  32    0.217828E-06    0.287284E+03 -0.758233E-09 0.100000E-04    0.959909E+00
  33    0.296377E-05    0.280049E+03 -0.105830E-07 0.100000E-04    0.990326E+00
  34    0.129819E-05    0.271763E+03 -0.477692E-08 0.100000E-04    0.990024E+00
  35    0.865137E-05    0.265816E+03 -0.325465E-07 0.100000E-04    0.990124E+00
  36    0.113798E-05    0.261899E+03 -0.434511E-08 0.100000E-04    0.983024E+00
  37   -0.361056E-05    0.257655E+03  0.140132E-07 0.100000E-04    0.989188E+00
  38   -0.215659E-05    0.253368E+03  0.851169E-08 0.100000E-04    0.992114E+00
  39   -0.627108E-05    0.244528E+03  0.256456E-07 0.100000E-04    0.989504E+00
  40    0.197346E-05    0.239810E+03 -0.822923E-08 0.100000E-04    0.977227E+00
  41    0.275627E-05    0.233925E+03 -0.117827E-07 0.100000E-04    0.981606E+00
  42   -0.135158E-05    0.228408E+03  0.591740E-08 0.100000E-04    0.983603E+00
  43    0.118469E-05    0.225285E+03 -0.525861E-08 0.100000E-04    0.987125E+00
  44   -0.548335E-06    0.212943E+03  0.257503E-08 0.100000E-04    0.939125E+00
  45    0.292856E-05    0.211128E+03 -0.138710E-07 0.100000E-04    0.991945E+00
  46   -0.265158E-05    0.210023E+03  0.126252E-07 0.100000E-04    0.979540E+00
  47   -0.869661E-05    0.202847E+03  0.428728E-07 0.100000E-04    0.988679E+00
  48   -0.119422E-05    0.198734E+03  0.600914E-08 0.100000E-04    0.997739E+00
  49    0.439441E-05    0.195250E+03 -0.225066E-07 0.100000E-04    0.986992E+00
  50   -0.379305E-05    0.191677E+03  0.197887E-07 0.100000E-04    0.990277E+00
  51   -0.348414E-05    0.186520E+03  0.186797E-07 0.100000E-04    0.989699E+00
  52    0.458260E-06    0.178650E+03 -0.256513E-08 0.100000E-04    0.998414E+00
  53   -0.390889E-05    0.170676E+03  0.229024E-07 0.100000E-04    0.990863E+00
  54    0.127697E-05    0.168145E+03 -0.759446E-08 0.100000E-04    0.979454E+00
  55   -0.734771E-05    0.165791E+03  0.443192E-07 0.100000E-04    0.990332E+00
  56    0.273806E-05    0.160690E+03 -0.170394E-07 0.100000E-04    0.990817E+00
  57    0.120597E-05    0.153913E+03 -0.783539E-08 0.100000E-04    0.991861E+00
  58    0.579827E-05    0.151068E+03 -0.383819E-07 0.100000E-04    0.990744E+00
  59   -0.359467E-05    0.148364E+03  0.242287E-07 0.100000E-04    0.988899E+00
  60    0.579129E-05    0.142419E+03 -0.406637E-07 0.100000E-04    0.988919E+00
  61    0.440955E-05    0.136887E+03 -0.322130E-07 0.100000E-04    0.989344E+00
  62   -0.142475E-04    0.134569E+03  0.105874E-06 0.100000E-04    0.991024E+00
  63    0.899224E-05    0.131031E+03 -0.686266E-07 0.100000E-04    0.990531E+00
  64    0.151164E-05    0.127709E+03 -0.118366E-07 0.100000E-04    0.984816E+00
  65   -0.164722E-05    0.125611E+03  0.131137E-07 0.100000E-04    0.998992E+00
  66    0.949706E-05    0.124334E+03 -0.763834E-07 0.100000E-04    0.989766E+00
  67    0.765563E-06    0.119424E+03 -0.641044E-08 0.100000E-04    0.993330E+00
  68   -0.246500E-05    0.117988E+03  0.208919E-07 0.100000E-04    0.988579E+00
  69    0.788732E-06    0.116265E+03 -0.678389E-08 0.100000E-04    0.988468E+00
  70    0.361167E-05    0.112852E+03 -0.320035E-07 0.100000E-04    0.982442E+00
  71   -0.200760E-06    0.110410E+03  0.181831E-08 0.100000E-04    0.981121E+00
  72   -0.112514E-04    0.105690E+03  0.106457E-06 0.100000E-04    0.988616E+00
  73    0.326307E-05    0.102833E+03 -0.317317E-07 0.100000E-04    0.980458E+00
  74   -0.140581E-04    0.100643E+03  0.139683E-06 0.100000E-04    0.989956E+00
  75   -0.757622E-05    0.972269E+02  0.779230E-07 0.100000E-04    0.985430E+00
  76   -0.109075E-04    0.950157E+02  0.114797E-06 0.100000E-04    0.988703E+00
  77   -0.125766E-06    0.915146E+02  0.137427E-08 0.100000E-04    0.970576E+00
  78   -0.197753E-04    0.904324E+02  0.218674E-06 0.100000E-04    0.988224E+00
  79   -0.228903E-04    0.878111E+02  0.260676E-06 0.100000E-04    0.991595E+00
  80   -0.455475E-05    0.844384E+02  0.539417E-07 0.100000E-04    0.986013E+00
  81    0.599899E-05    0.809025E+02 -0.741509E-07 0.100000E-04    0.988211E+00
  82   -0.108460E-04    0.790074E+02  0.137278E-06 0.100000E-04    0.987279E+00
  83    0.852610E-05    0.787375E+02 -0.108285E-06 0.100000E-04    0.997133E+00
  84   -0.705041E-05    0.731138E+02  0.964307E-07 0.100000E-04    0.987170E+00
  85   -0.151999E-04    0.712377E+02  0.213368E-06 0.100000E-04    0.990356E+00
  86    0.195175E-04    0.696640E+02 -0.280167E-06 0.100000E-04    0.990000E+00
  87    0.627419E-05    0.675604E+02 -0.928679E-07 0.100000E-04    0.998894E+00
  88   -0.913307E-06    0.636468E+02  0.143496E-07 0.100000E-04    0.986545E+00
  89   -0.168454E-04    0.623801E+02  0.270045E-06 0.100000E-04    0.989713E+00
  90    0.764889E-05    0.596609E+02 -0.128206E-06 0.100000E-04    0.988369E+00
  91    0.136218E-05    0.584775E+02 -0.232941E-07 0.100000E-04    0.994819E+00
  92    0.166188E-04    0.558328E+02 -0.297652E-06 0.100000E-04    0.986527E+00
  93   -0.251133E-04    0.536845E+02  0.467795E-06 0.100000E-04    0.991520E+00
  94   -0.981970E-05    0.523566E+02  0.187554E-06 0.100000E-04    0.986710E+00
  95   -0.245047E-04    0.502887E+02  0.487280E-06 0.100000E-04    0.992401E+00
  96   -0.672176E-05    0.480389E+02  0.139923E-06 0.100000E-04    0.992615E+00
  97   -0.133618E-04    0.437911E+02  0.305125E-06 0.100000E-04    0.989305E+00
  98    0.100058E-04    0.397198E+02 -0.251909E-06 0.100000E-04    0.990898E+00
  99   -0.148574E-04    0.377370E+02  0.393710E-06 0.100000E-04    0.983266E+00
 100    0.239188E-04    0.361208E+02 -0.662190E-06 0.100000E-04    0.991808E+00
 101   -0.648864E-04    0.345618E+02  0.187740E-05 0.100000E-04    0.989793E+00
 102   -0.272207E-04    0.298437E+02  0.912108E-06 0.100000E-04    0.991380E+00
 103    0.214416E-04    0.290229E+02 -0.738781E-06 0.100000E-04    0.989988E+00
 104    0.301108E-04    0.286999E+02 -0.104916E-05 0.100000E-04    0.991978E+00
 105   -0.104107E-04    0.236093E+02  0.440956E-06 0.100000E-04    0.981168E+00
 106   -0.422521E-05    0.218727E+02  0.193172E-06 0.100000E-04    0.998479E+00
 107   -0.633676E-04    0.196168E+02  0.323026E-05 0.100000E-04    0.988767E+00
 108   -0.776564E-04    0.165179E+02  0.470134E-05 0.100000E-04    0.995392E+00
 109    0.510620E-04    0.139271E+02 -0.366638E-05 0.100000E-04    0.992572E+00
 110    0.239444E-04    0.127481E+02 -0.187827E-05 0.100000E-04    0.972402E+00
 111   -0.746559E-04    0.117852E+02  0.633474E-05 0.100000E-04    0.988472E+00
 112   -0.282062E-04    0.935453E+01  0.301525E-05 0.100000E-04    0.997902E+00
 113   -0.123200E-02    0.755782E+01  0.100000E-04 0.100000E-04    0.288272E+00
 114    0.168817E+00    0.477196E+01  0.400000E-03 0.400000E-03    0.743135E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3533271661E-01

 Beginning of optimization cycle   69.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3999981698
 potential> RMS force:                                               0.0159903450   |gradient|=.1707301650    
 Eigenvalues of the Hessian matrix:
   717.66238    670.03219    622.63197    602.78981    589.60289    563.38032 
   560.40548    477.65425    470.99029    463.75410    441.62076    432.05088 
   420.12032    405.35442    398.48488    388.22365    366.93056    364.28514 
   353.00460    344.81062    323.96741    323.79477    318.92066    316.09201 
   305.40143    287.28521    280.04641    271.75590    265.81368    261.90477 
   257.65461    253.36821    244.51228    239.80006    233.93429    228.41086 
   225.26698    212.93606    211.12642    210.02056    202.84854    198.72872 
   195.25342    191.67550    186.51758    178.63480    170.67563    168.14451 
   165.78938    160.68735    153.90657    151.06732    148.37103    142.42376 
   136.88809    134.57341    131.03086    127.70851    125.61448    124.34207 
   119.42403    117.98711    116.26961    112.84603    110.40397    105.68651 
   102.83234    100.63903     97.22729     95.01655     91.50799     90.43743 
    87.82206     84.43919     80.90175     79.00944     78.73709     73.11094 
    71.24077     69.65564     67.56422     63.64211     62.37663     59.66100 
    58.48060     55.83222     53.68356     52.35478     50.28933     48.03825 
    43.78667     39.72296     37.72909     36.12330     34.56763     29.83404 
    29.02172     28.70045     23.60376     21.87352     19.61486     16.52202 
    13.92484     12.74311     11.77824      9.35648      7.55907      4.77369 
overlap for current and previous eigenvector    109 is        -0.9999941088
overlap for current and previous eigenvector    110 is         0.9999895521
overlap for current and previous eigenvector    111 is         0.9999872387
overlap for current and previous eigenvector    112 is         0.9999996364
overlap for current and previous eigenvector    113 is         0.9999993017
overlap for current and previous eigenvector    114 is        -0.9999991728
J1,K1,R1,R2,RAT=   7   7    0.1337726996E-01     1.986458069        0.9864580689    
FOB,PFOB,DIAG,PSTEP=    0.2586804677E-06    0.2621881177E-06     717.6623811       -0.3653663790E-09
J1,K1,R1,R2,RAT=   8   8   -0.3175686764E-01     2.031698607        0.9682431324    
FOB,PFOB,DIAG,PSTEP=   -0.3461526817E-06   -0.3354980055E-06     670.0321946        0.5007338180E-09
J1,K1,R1,R2,RAT=   9   9   -0.8420213611E-02     2.008337419        0.9915797864    
FOB,PFOB,DIAG,PSTEP=    0.5099043697E-06    0.5056465416E-06     622.6319733       -0.8121450497E-09
J1,K1,R1,R2,RAT=  10  10   -0.4682347876E-02     2.004613861        0.9953176521    
FOB,PFOB,DIAG,PSTEP=    0.1193355853E-05    0.1187793997E-05     602.7898144       -0.1970561952E-08
J1,K1,R1,R2,RAT=  11  11   -0.2543704682E-02     2.002530753        0.9974562953    
FOB,PFOB,DIAG,PSTEP=   -0.8929834659E-06   -0.8907177283E-06     589.6028926        0.1510717650E-08
J1,K1,R1,R2,RAT= 109 109     2.007628750       -0.7309439779E-02    0.9926905602    
FOB,PFOB,DIAG,PSTEP=   -0.5143513757E-04    0.5106196281E-04     13.92483788       -0.3666384646E-05
J1,K1,R1,R2,RAT= 110 110   -0.2728750499E-01     2.028077390        0.9727124950    
FOB,PFOB,DIAG,PSTEP=    0.2459757017E-04    0.2394444399E-04     12.74310993       -0.1878269211E-05
J1,K1,R1,R2,RAT= 111 111   -0.1134782907E-01     2.012522184        0.9886521709    
FOB,PFOB,DIAG,PSTEP=   -0.7550260086E-04   -0.7465591545E-04     11.77824177        0.6334740479E-05
J1,K1,R1,R2,RAT= 112 112    0.1928790421E-02     1.997653844        0.9976538440    
FOB,PFOB,DIAG,PSTEP=   -0.2815182293E-04   -0.2820623821E-04     9.356477999        0.3015250567E-05
J1,K1,R1,R2,RAT= 113 113   -0.7248454107         33.32151061        0.2751545893    
FOB,PFOB,DIAG,PSTEP=   -0.1286794267E-02   -0.1232002681E-02     7.559071908        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -177.8195176        0.9992403764        0.7596236406E-03
FOB,PFOB,DIAG,PSTEP=   -0.1707252182        0.1688171910         4.773694330        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00000     -0.00001     -0.00001     -0.00000      0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00001 
     0.00000     -0.00001     -0.00001      0.00001     -0.00000      0.00002 
     0.00002     -0.00000     -0.00001      0.00001      0.00001     -0.00001 
     0.00002      0.00002      0.00001      0.00000      0.00002     -0.00001 
    -0.00000      0.00002     -0.00003     -0.00001      0.00002      0.00001 
    -0.00001      0.00001      0.00002     -0.00002      0.00007     -0.00003 
    -0.00002      0.00003      0.00001      0.00000      0.00006     -0.00008 
    -0.00005      0.00002     -0.00008     -0.00003     -0.00129     -0.17073 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4355231818
 Log product of positive Hessian eigenvalues =          520.4780951508
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7736943297
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000042
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000102
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000017
 Unscaled step for mode   17=       -0.0000000015
 Unscaled step for mode   18=       -0.0000000059
 Unscaled step for mode   19=       -0.0000000116
 Unscaled step for mode   20=       -0.0000000165
 Unscaled step for mode   21=       -0.0000000085
 Unscaled step for mode   22=        0.0000000019
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000166
 Unscaled step for mode   26=        0.0000000246
 Unscaled step for mode   27=        0.0000000176
 Unscaled step for mode   28=       -0.0000000124
 Unscaled step for mode   29=        0.0000000144
 Unscaled step for mode   30=        0.0000000113
 Unscaled step for mode   31=        0.0000000033
 Unscaled step for mode   32=       -0.0000000007
 Unscaled step for mode   33=       -0.0000000107
 Unscaled step for mode   34=       -0.0000000048
 Unscaled step for mode   35=       -0.0000000329
 Unscaled step for mode   36=       -0.0000000044
 Unscaled step for mode   37=        0.0000000142
 Unscaled step for mode   38=        0.0000000086
 Unscaled step for mode   39=        0.0000000259
 Unscaled step for mode   40=       -0.0000000084
 Unscaled step for mode   41=       -0.0000000120
 Unscaled step for mode   42=        0.0000000060
 Unscaled step for mode   43=       -0.0000000053
 Unscaled step for mode   44=        0.0000000027
 Unscaled step for mode   45=       -0.0000000140
 Unscaled step for mode   46=        0.0000000129
 Unscaled step for mode   47=        0.0000000434
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000228
 Unscaled step for mode   50=        0.0000000200
 Unscaled step for mode   51=        0.0000000189
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000231
 Unscaled step for mode   54=       -0.0000000077
 Unscaled step for mode   55=       -0.0000000447
 Unscaled step for mode   56=        0.0000000172
 Unscaled step for mode   57=       -0.0000000079
 Unscaled step for mode   58=       -0.0000000387
 Unscaled step for mode   59=       -0.0000000245
 Unscaled step for mode   60=       -0.0000000411
 Unscaled step for mode   61=        0.0000000326
 Unscaled step for mode   62=        0.0000001068
 Unscaled step for mode   63=        0.0000000693
 Unscaled step for mode   64=        0.0000000120
 Unscaled step for mode   65=       -0.0000000131
 Unscaled step for mode   66=        0.0000000772
 Unscaled step for mode   67=        0.0000000065
 Unscaled step for mode   68=       -0.0000000211
 Unscaled step for mode   69=        0.0000000067
 Unscaled step for mode   70=        0.0000000326
 Unscaled step for mode   71=       -0.0000000018
 Unscaled step for mode   72=        0.0000001077
 Unscaled step for mode   73=       -0.0000000323
 Unscaled step for mode   74=        0.0000001411
 Unscaled step for mode   75=        0.0000000791
 Unscaled step for mode   76=       -0.0000001161
 Unscaled step for mode   77=        0.0000000014
 Unscaled step for mode   78=       -0.0000002212
 Unscaled step for mode   79=       -0.0000002628
 Unscaled step for mode   80=        0.0000000547
 Unscaled step for mode   81=        0.0000000750
 Unscaled step for mode   82=       -0.0000001390
 Unscaled step for mode   83=       -0.0000001080
 Unscaled step for mode   84=        0.0000000977
 Unscaled step for mode   85=       -0.0000002154
 Unscaled step for mode   86=       -0.0000002830
 Unscaled step for mode   87=       -0.0000000929
 Unscaled step for mode   88=       -0.0000000141
 Unscaled step for mode   89=       -0.0000002728
 Unscaled step for mode   90=        0.0000001297
 Unscaled step for mode   91=        0.0000000232
 Unscaled step for mode   92=       -0.0000003016
 Unscaled step for mode   93=        0.0000004717
 Unscaled step for mode   94=        0.0000001900
 Unscaled step for mode   95=       -0.0000004909
 Unscaled step for mode   96=       -0.0000001409
 Unscaled step for mode   97=        0.0000003084
 Unscaled step for mode   98=       -0.0000002542
 Unscaled step for mode   99=       -0.0000004003
 Unscaled step for mode  100=        0.0000006675
 Unscaled step for mode  101=       -0.0000018960
 Unscaled step for mode  102=        0.0000009202
 Unscaled step for mode  103=        0.0000007461
 Unscaled step for mode  104=       -0.0000010574
 Unscaled step for mode  105=       -0.0000004492
 Unscaled step for mode  106=       -0.0000001928
 Unscaled step for mode  107=       -0.0000032664
 Unscaled step for mode  108=        0.0000047211
 Unscaled step for mode  109=        0.0000036938
 Unscaled step for mode  110=       -0.0000019303
 Unscaled step for mode  111=        0.0000064103
 Unscaled step for mode  112=        0.0000030088
 Unscaled step for mode  113=        0.0001702318
 Unscaled step for mode  114=       -0.0357181248
 Largest modulus ratio of non-zero e/values=           150.3368946    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.531910E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.597721E-15    0.100775E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.201108E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.700187E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.176074E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.318511E-15    0.973474E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.258680E-06    0.717662E+03 -0.360449E-09 0.100000E-04    0.986458E+00
   8   -0.346153E-06    0.670032E+03  0.516621E-09 0.100000E-04    0.968243E+00
   9    0.509904E-06    0.622632E+03 -0.818950E-09 0.100000E-04    0.991580E+00
  10    0.119336E-05    0.602790E+03 -0.197972E-08 0.100000E-04    0.995318E+00
  11   -0.892983E-06    0.589603E+03  0.151455E-08 0.100000E-04    0.997456E+00
  12    0.234106E-05    0.563380E+03 -0.415539E-08 0.100000E-04    0.994815E+00
  13    0.209082E-05    0.560405E+03 -0.373091E-08 0.100000E-04    0.999459E+00
  14   -0.487076E-05    0.477654E+03  0.101972E-07 0.100000E-04    0.995569E+00
  15    0.150042E-05    0.470990E+03 -0.318568E-08 0.100000E-04    0.996747E+00
  16    0.782886E-06    0.463754E+03 -0.168815E-08 0.100000E-04    0.985121E+00
  17    0.683528E-06    0.441621E+03 -0.154777E-08 0.100000E-04    0.983184E+00
  18    0.255626E-05    0.432051E+03 -0.591656E-08 0.100000E-04    0.993410E+00
  19    0.487373E-05    0.420120E+03 -0.116008E-07 0.100000E-04    0.991226E+00
  20    0.670255E-05    0.405354E+03 -0.165350E-07 0.100000E-04    0.994767E+00
  21    0.337512E-05    0.398485E+03 -0.846989E-08 0.100000E-04    0.990676E+00
  22   -0.746684E-06    0.388224E+03  0.192334E-08 0.100000E-04    0.986967E+00
  23   -0.197239E-05    0.366931E+03  0.537538E-08 0.100000E-04    0.999012E+00
  24    0.175614E-05    0.364285E+03 -0.482080E-08 0.100000E-04    0.996292E+00
  25   -0.586637E-05    0.353005E+03  0.166184E-07 0.100000E-04    0.991011E+00
  26   -0.848984E-05    0.344811E+03  0.246218E-07 0.100000E-04    0.989718E+00
  27   -0.570974E-05    0.323967E+03  0.176244E-07 0.100000E-04    0.974240E+00
  28    0.402351E-05    0.323795E+03 -0.124261E-07 0.100000E-04    0.916618E+00
  29   -0.460130E-05    0.318921E+03  0.144277E-07 0.100000E-04    0.985009E+00
  30   -0.358679E-05    0.316092E+03  0.113473E-07 0.100000E-04    0.989722E+00
  31   -0.100664E-05    0.305401E+03  0.329613E-08 0.100000E-04    0.979402E+00
  32    0.208558E-06    0.287285E+03 -0.725960E-09 0.100000E-04    0.957433E+00
  33    0.299221E-05    0.280046E+03 -0.106847E-07 0.100000E-04    0.990403E+00
  34    0.131111E-05    0.271756E+03 -0.482460E-08 0.100000E-04    0.990046E+00
  35    0.873606E-05    0.265814E+03 -0.328654E-07 0.100000E-04    0.990211E+00
  36    0.115724E-05    0.261905E+03 -0.441857E-08 0.100000E-04    0.983070E+00
  37   -0.364933E-05    0.257655E+03  0.141636E-07 0.100000E-04    0.989262E+00
  38   -0.217343E-05    0.253368E+03  0.857816E-08 0.100000E-04    0.992189E+00
  39   -0.633628E-05    0.244512E+03  0.259139E-07 0.100000E-04    0.989602E+00
  40    0.201793E-05    0.239800E+03 -0.841503E-08 0.100000E-04    0.977465E+00
  41    0.280656E-05    0.233934E+03 -0.119972E-07 0.100000E-04    0.981753E+00
  42   -0.137354E-05    0.228411E+03  0.601346E-08 0.100000E-04    0.983753E+00
  43    0.119989E-05    0.225267E+03 -0.532652E-08 0.100000E-04    0.987168E+00
  44   -0.580403E-06    0.212936E+03  0.272572E-08 0.100000E-04    0.941515E+00
  45    0.295144E-05    0.211126E+03 -0.139795E-07 0.100000E-04    0.992187E+00
  46   -0.270547E-05    0.210021E+03  0.128819E-07 0.100000E-04    0.979677E+00
  47   -0.879423E-05    0.202849E+03  0.433537E-07 0.100000E-04    0.988775E+00
  48   -0.119125E-05    0.198729E+03  0.599436E-08 0.100000E-04    0.997515E+00
  49    0.445113E-05    0.195253E+03 -0.227967E-07 0.100000E-04    0.987094E+00
  50   -0.382956E-05    0.191675E+03  0.199794E-07 0.100000E-04    0.990373E+00
  51   -0.351974E-05    0.186518E+03  0.188708E-07 0.100000E-04    0.989784E+00
  52    0.458906E-06    0.178635E+03 -0.256896E-08 0.100000E-04    0.998591E+00
  53   -0.394421E-05    0.170676E+03  0.231094E-07 0.100000E-04    0.990963E+00
  54    0.130295E-05    0.168145E+03 -0.774902E-08 0.100000E-04    0.979648E+00
  55    0.741806E-05    0.165789E+03 -0.447439E-07 0.100000E-04    0.990426E+00
  56   -0.276294E-05    0.160687E+03  0.171945E-07 0.100000E-04    0.990913E+00
  57    0.121575E-05    0.153907E+03 -0.789926E-08 0.100000E-04    0.991893E+00
  58    0.585149E-05    0.151067E+03 -0.387343E-07 0.100000E-04    0.990820E+00
  59    0.363413E-05    0.148371E+03 -0.244935E-07 0.100000E-04    0.989025E+00
  60    0.585484E-05    0.142424E+03 -0.411086E-07 0.100000E-04    0.989027E+00
  61   -0.445618E-05    0.136888E+03  0.325535E-07 0.100000E-04    0.989424E+00
  62   -0.143739E-04    0.134573E+03  0.106811E-06 0.100000E-04    0.991123E+00
  63   -0.907651E-05    0.131031E+03  0.692701E-07 0.100000E-04    0.990628E+00
  64   -0.153451E-05    0.127709E+03  0.120157E-07 0.100000E-04    0.984869E+00
  65    0.164847E-05    0.125614E+03 -0.131232E-07 0.100000E-04    0.999245E+00
  66   -0.959332E-05    0.124342E+03  0.771527E-07 0.100000E-04    0.989864E+00
  67   -0.770652E-06    0.119424E+03  0.645307E-08 0.100000E-04    0.993352E+00
  68    0.249291E-05    0.117987E+03 -0.211287E-07 0.100000E-04    0.988677E+00
  69   -0.779312E-06    0.116270E+03  0.670263E-08 0.100000E-04    0.987986E+00
  70   -0.367439E-05    0.112846E+03  0.325611E-07 0.100000E-04    0.982634E+00
  71    0.196724E-06    0.110404E+03 -0.178185E-08 0.100000E-04    0.979893E+00
  72   -0.113784E-04    0.105687E+03  0.107662E-06 0.100000E-04    0.988713E+00
  73    0.332619E-05    0.102832E+03 -0.323458E-07 0.100000E-04    0.980654E+00
  74   -0.141977E-04    0.100639E+03  0.141075E-06 0.100000E-04    0.990071E+00
  75   -0.768582E-05    0.972273E+02  0.790500E-07 0.100000E-04    0.985534E+00
  76    0.110295E-04    0.950166E+02 -0.116080E-06 0.100000E-04    0.988813E+00
  77   -0.129469E-06    0.915080E+02  0.141484E-08 0.100000E-04    0.970556E+00
  78    0.200060E-04    0.904374E+02 -0.221214E-06 0.100000E-04    0.988331E+00
  79    0.230797E-04    0.878221E+02 -0.262800E-06 0.100000E-04    0.991727E+00
  80   -0.461789E-05    0.844392E+02  0.546890E-07 0.100000E-04    0.986138E+00
  81   -0.606893E-05    0.809017E+02  0.750160E-07 0.100000E-04    0.988342E+00
  82    0.109803E-04    0.790094E+02 -0.138974E-06 0.100000E-04    0.987623E+00
  83    0.850113E-05    0.787371E+02 -0.107969E-06 0.100000E-04    0.997071E+00
  84   -0.714013E-05    0.731109E+02  0.976616E-07 0.100000E-04    0.987274E+00
  85    0.153450E-04    0.712408E+02 -0.215396E-06 0.100000E-04    0.990454E+00
  86    0.197102E-04    0.696556E+02 -0.282967E-06 0.100000E-04    0.990126E+00
  87    0.627967E-05    0.675642E+02 -0.929437E-07 0.100000E-04    0.999127E+00
  88    0.900030E-06    0.636421E+02 -0.141421E-07 0.100000E-04    0.985462E+00
  89    0.170169E-04    0.623766E+02 -0.272809E-06 0.100000E-04    0.989820E+00
  90   -0.773689E-05    0.596610E+02  0.129681E-06 0.100000E-04    0.988495E+00
  91   -0.135487E-05    0.584806E+02  0.231678E-07 0.100000E-04    0.994527E+00
  92    0.168404E-04    0.558322E+02 -0.301626E-06 0.100000E-04    0.986660E+00
  93   -0.253229E-04    0.536836E+02  0.471708E-06 0.100000E-04    0.991652E+00
  94   -0.994898E-05    0.523548E+02  0.190030E-06 0.100000E-04    0.986835E+00
  95    0.246878E-04    0.502893E+02 -0.490916E-06 0.100000E-04    0.992526E+00
  96    0.677069E-05    0.480383E+02 -0.140944E-06 0.100000E-04    0.992720E+00
  97   -0.135031E-04    0.437867E+02  0.308383E-06 0.100000E-04    0.989425E+00
  98    0.100959E-04    0.397230E+02 -0.254157E-06 0.100000E-04    0.990994E+00
  99    0.151043E-04    0.377291E+02 -0.400337E-06 0.100000E-04    0.983377E+00
 100   -0.241118E-04    0.361233E+02  0.667485E-06 0.100000E-04    0.991934E+00
 101    0.655396E-04    0.345676E+02 -0.189598E-05 0.100000E-04    0.989935E+00
 102   -0.274529E-04    0.298340E+02  0.920188E-06 0.100000E-04    0.991464E+00
 103   -0.216535E-04    0.290217E+02  0.746112E-06 0.100000E-04    0.990117E+00
 104    0.303484E-04    0.287005E+02 -0.105742E-05 0.100000E-04    0.992108E+00
 105    0.106040E-04    0.236038E+02 -0.449249E-06 0.100000E-04    0.981430E+00
 106    0.421808E-05    0.218735E+02 -0.192840E-06 0.100000E-04    0.998242E+00
 107    0.640698E-04    0.196149E+02 -0.326639E-05 0.100000E-04    0.988918E+00
 108   -0.780022E-04    0.165220E+02  0.472110E-05 0.100000E-04    0.995549E+00
 109   -0.514351E-04    0.139248E+02  0.369377E-05 0.100000E-04    0.992691E+00
 110    0.245976E-04    0.127431E+02 -0.193026E-05 0.100000E-04    0.972712E+00
 111   -0.755026E-04    0.117782E+02  0.641035E-05 0.100000E-04    0.988652E+00
 112   -0.281518E-04    0.935648E+01  0.300881E-05 0.100000E-04    0.997654E+00
 113   -0.128679E-02    0.755907E+01  0.100000E-04 0.100000E-04    0.275155E+00
 114   -0.170725E+00    0.477369E+01 -0.400000E-03 0.400000E-03    0.759624E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3571812476E-01

 Beginning of optimization cycle   70.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3999295111
 potential> RMS force:                                               0.0161691434   |gradient|=.1726392090    
 Eigenvalues of the Hessian matrix:
   717.72148    670.05166    622.65764    602.81031    589.60661    563.40323 
   560.44327    477.66861    470.96830    463.74171    441.61699    432.03968 
   420.12789    405.36502    398.48144    388.22913    366.93076    364.27455 
   352.99387    344.77000    323.97119    323.76654    318.91477    316.11201 
   305.40031    287.28623    280.04336    271.74837    265.81176    261.91095 
   257.65469    253.36864    244.49666    239.78971    233.94351    228.41368 
   225.24867    212.92914    211.12507    210.01772    202.85022    198.72354 
   195.25661    191.67385    186.51467    178.61996    170.67570    168.14446 
   165.78806    160.68507    153.89997    151.06681    148.37805    142.42858 
   136.88881    134.57742    131.03037    127.70788    125.61792    124.35005 
   119.42376    117.98585    116.27371    112.83956    110.39765    105.68256 
   102.83180    100.63482     97.22760     95.01740     91.50137     90.44244 
    87.83305     84.43994     80.90097     79.01157     78.73662     73.10811 
    71.24388     69.64722     67.56805     63.63745     62.37314     59.66104 
    58.48369     55.83171     53.68263     52.35299     50.28992     48.03758 
    43.78222     39.72609     37.72120     36.12579     34.57351     29.82440 
    29.02053     28.70096     23.59818     21.87430     19.61295     16.52609 
    13.92263     12.73810     11.77125      9.35843      7.56031      4.77539 
overlap for current and previous eigenvector    109 is         0.9999941793
overlap for current and previous eigenvector    110 is        -0.9999895470
overlap for current and previous eigenvector    111 is         0.9999871861
overlap for current and previous eigenvector    112 is         0.9999996355
overlap for current and previous eigenvector    113 is         0.9999993016
overlap for current and previous eigenvector    114 is         0.9999991769
J1,K1,R1,R2,RAT=   7   7    0.1393759258E-01     1.985897722        0.9858977218    
FOB,PFOB,DIAG,PSTEP=    0.2550747878E-06    0.2586804677E-06     717.7214803       -0.3604486935E-09
J1,K1,R1,R2,RAT=   8   8   -0.3100260061E-01     2.030944491        0.9689973994    
FOB,PFOB,DIAG,PSTEP=   -0.3568846268E-06   -0.3461526817E-06     670.0516630        0.5166209690E-09
J1,K1,R1,R2,RAT=   9   9   -0.8298572263E-02     2.008216128        0.9917014277    
FOB,PFOB,DIAG,PSTEP=    0.5141360224E-06    0.5099043697E-06     622.6576407       -0.8189498638E-09
J1,K1,R1,R2,RAT=  10  10   -0.4623427506E-02     2.004555420        0.9953765725    
FOB,PFOB,DIAG,PSTEP=    0.1198873434E-05    0.1193355853E-05     602.8103123       -0.1979721329E-08
J1,K1,R1,R2,RAT=  11  11   -0.2505546727E-02     2.002492937        0.9974944533    
FOB,PFOB,DIAG,PSTEP=   -0.8952208918E-06   -0.8929834659E-06     589.6066101        0.1514550687E-08
J1,K1,R1,R2,RAT= 109 109   -0.7193303193E-02     2.007509755        0.9928066968    
FOB,PFOB,DIAG,PSTEP=   -0.5180506758E-04   -0.5143513757E-04     13.92263496        0.3693769220E-05
J1,K1,R1,R2,RAT= 110 110     2.027764346       -0.2697796902E-01    0.9730220310    
FOB,PFOB,DIAG,PSTEP=   -0.2526090185E-04    0.2459757017E-04     12.73810145       -0.1930264300E-05
J1,K1,R1,R2,RAT= 111 111   -0.1117107511E-01     2.012358755        0.9888289249    
FOB,PFOB,DIAG,PSTEP=   -0.7634554552E-04   -0.7550260086E-04     11.77125153        0.6410345647E-05
J1,K1,R1,R2,RAT= 112 112    0.2176517515E-02     1.997406522        0.9974065218    
FOB,PFOB,DIAG,PSTEP=   -0.2809053722E-04   -0.2815182293E-04     9.358429048        0.3008805550E-05
J1,K1,R1,R2,RAT= 113 113   -0.7378161915         34.77860870        0.2621838085    
FOB,PFOB,DIAG,PSTEP=   -0.1342575438E-02   -0.1286794267E-02     7.560307338        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9992236502        -179.7545624        0.7763498109E-03
FOB,PFOB,DIAG,PSTEP=   -0.1726338904       -0.1707252182         4.775387953       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001     -0.00000     -0.00001 
     0.00000      0.00001     -0.00001     -0.00000      0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00001 
     0.00000      0.00001      0.00001      0.00001      0.00000     -0.00002 
    -0.00002     -0.00000      0.00001     -0.00001     -0.00001     -0.00001 
     0.00002      0.00002      0.00001      0.00000      0.00002      0.00001 
    -0.00000      0.00002     -0.00003     -0.00001     -0.00002      0.00001 
    -0.00001     -0.00001     -0.00002      0.00002     -0.00007      0.00003 
     0.00002     -0.00003      0.00001     -0.00000     -0.00006     -0.00008 
    -0.00005     -0.00003     -0.00008     -0.00003     -0.00134     -0.17263 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4355885979
 Log product of positive Hessian eigenvalues =          520.4769303318
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7753879531
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000042
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000102
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000017
 Unscaled step for mode   17=       -0.0000000016
 Unscaled step for mode   18=       -0.0000000060
 Unscaled step for mode   19=       -0.0000000117
 Unscaled step for mode   20=       -0.0000000166
 Unscaled step for mode   21=       -0.0000000085
 Unscaled step for mode   22=        0.0000000019
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000168
 Unscaled step for mode   26=        0.0000000249
 Unscaled step for mode   27=        0.0000000173
 Unscaled step for mode   28=       -0.0000000131
 Unscaled step for mode   29=        0.0000000146
 Unscaled step for mode   30=        0.0000000115
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=       -0.0000000007
 Unscaled step for mode   33=       -0.0000000108
 Unscaled step for mode   34=       -0.0000000049
 Unscaled step for mode   35=       -0.0000000332
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000143
 Unscaled step for mode   38=        0.0000000086
 Unscaled step for mode   39=        0.0000000262
 Unscaled step for mode   40=       -0.0000000086
 Unscaled step for mode   41=       -0.0000000122
 Unscaled step for mode   42=        0.0000000061
 Unscaled step for mode   43=       -0.0000000054
 Unscaled step for mode   44=        0.0000000029
 Unscaled step for mode   45=       -0.0000000141
 Unscaled step for mode   46=        0.0000000131
 Unscaled step for mode   47=        0.0000000438
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000231
 Unscaled step for mode   50=        0.0000000202
 Unscaled step for mode   51=        0.0000000191
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000233
 Unscaled step for mode   54=       -0.0000000079
 Unscaled step for mode   55=       -0.0000000452
 Unscaled step for mode   56=        0.0000000173
 Unscaled step for mode   57=       -0.0000000080
 Unscaled step for mode   58=       -0.0000000391
 Unscaled step for mode   59=        0.0000000248
 Unscaled step for mode   60=        0.0000000416
 Unscaled step for mode   61=       -0.0000000329
 Unscaled step for mode   62=       -0.0000001077
 Unscaled step for mode   63=        0.0000000699
 Unscaled step for mode   64=        0.0000000122
 Unscaled step for mode   65=       -0.0000000131
 Unscaled step for mode   66=        0.0000000779
 Unscaled step for mode   67=        0.0000000065
 Unscaled step for mode   68=       -0.0000000214
 Unscaled step for mode   69=        0.0000000066
 Unscaled step for mode   70=        0.0000000331
 Unscaled step for mode   71=       -0.0000000017
 Unscaled step for mode   72=        0.0000001089
 Unscaled step for mode   73=       -0.0000000330
 Unscaled step for mode   74=       -0.0000001425
 Unscaled step for mode   75=       -0.0000000802
 Unscaled step for mode   76=       -0.0000001174
 Unscaled step for mode   77=       -0.0000000015
 Unscaled step for mode   78=        0.0000002238
 Unscaled step for mode   79=        0.0000002649
 Unscaled step for mode   80=        0.0000000554
 Unscaled step for mode   81=       -0.0000000759
 Unscaled step for mode   82=        0.0000001406
 Unscaled step for mode   83=        0.0000001076
 Unscaled step for mode   84=        0.0000000989
 Unscaled step for mode   85=       -0.0000002174
 Unscaled step for mode   86=       -0.0000002858
 Unscaled step for mode   87=       -0.0000000930
 Unscaled step for mode   88=       -0.0000000139
 Unscaled step for mode   89=       -0.0000002756
 Unscaled step for mode   90=       -0.0000001312
 Unscaled step for mode   91=        0.0000000230
 Unscaled step for mode   92=       -0.0000003056
 Unscaled step for mode   93=        0.0000004756
 Unscaled step for mode   94=        0.0000001925
 Unscaled step for mode   95=        0.0000004945
 Unscaled step for mode   96=       -0.0000001420
 Unscaled step for mode   97=        0.0000003116
 Unscaled step for mode   98=        0.0000002564
 Unscaled step for mode   99=        0.0000004070
 Unscaled step for mode  100=       -0.0000006727
 Unscaled step for mode  101=        0.0000019145
 Unscaled step for mode  102=       -0.0000009283
 Unscaled step for mode  103=       -0.0000007534
 Unscaled step for mode  104=        0.0000010656
 Unscaled step for mode  105=       -0.0000004576
 Unscaled step for mode  106=        0.0000001925
 Unscaled step for mode  107=        0.0000033024
 Unscaled step for mode  108=        0.0000047402
 Unscaled step for mode  109=        0.0000037209
 Unscaled step for mode  110=        0.0000019831
 Unscaled step for mode  111=        0.0000064858
 Unscaled step for mode  112=        0.0000030016
 Unscaled step for mode  113=        0.0001775821
 Unscaled step for mode  114=       -0.0361036357
 Largest modulus ratio of non-zero e/values=           150.2959524    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.136826E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.468592E-15    0.100774E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.125827E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.854568E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.757315E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.498665E-15    0.973476E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.255075E-06    0.717721E+03 -0.355395E-09 0.100000E-04    0.985898E+00
   8   -0.356885E-06    0.670052E+03  0.532623E-09 0.100000E-04    0.968997E+00
   9    0.514136E-06    0.622658E+03 -0.825712E-09 0.100000E-04    0.991701E+00
  10    0.119887E-05    0.602810E+03 -0.198881E-08 0.100000E-04    0.995377E+00
  11   -0.895221E-06    0.589607E+03  0.151834E-08 0.100000E-04    0.997494E+00
  12    0.235309E-05    0.563403E+03 -0.417657E-08 0.100000E-04    0.994860E+00
  13    0.208974E-05    0.560443E+03 -0.372873E-08 0.100000E-04    0.999347E+00
  14   -0.489199E-05    0.477669E+03  0.102414E-07 0.100000E-04    0.995641E+00
  15    0.150523E-05    0.470968E+03 -0.319604E-08 0.100000E-04    0.996793E+00
  16    0.794463E-06    0.463742E+03 -0.171316E-08 0.100000E-04    0.985212E+00
  17    0.694910E-06    0.441617E+03 -0.157356E-08 0.100000E-04    0.983347E+00
  18    0.257295E-05    0.432040E+03 -0.595536E-08 0.100000E-04    0.993468E+00
  19    0.491618E-05    0.420128E+03 -0.117016E-07 0.100000E-04    0.991291E+00
  20    0.673718E-05    0.405365E+03 -0.166200E-07 0.100000E-04    0.994833E+00
  21    0.340627E-05    0.398481E+03 -0.854814E-08 0.100000E-04    0.990770E+00
  22   -0.736616E-06    0.388229E+03  0.189737E-08 0.100000E-04    0.986488E+00
  23   -0.197418E-05    0.366931E+03  0.538025E-08 0.100000E-04    0.999094E+00
  24    0.176249E-05    0.364275E+03 -0.483836E-08 0.100000E-04    0.996385E+00
  25   -0.591870E-05    0.352994E+03  0.167671E-07 0.100000E-04    0.991080E+00
  26   -0.857652E-05    0.344770E+03  0.248761E-07 0.100000E-04    0.989789E+00
  27   -0.560969E-05    0.323971E+03  0.173154E-07 0.100000E-04    0.982455E+00
  28    0.423898E-05    0.323767E+03 -0.130927E-07 0.100000E-04    0.946442E+00
  29   -0.466970E-05    0.318915E+03  0.146425E-07 0.100000E-04    0.985134E+00
  30   -0.362383E-05    0.316112E+03  0.114637E-07 0.100000E-04    0.989675E+00
  31   -0.102716E-05    0.305400E+03  0.336332E-08 0.100000E-04    0.979619E+00
  32    0.199112E-06    0.287286E+03 -0.693081E-09 0.100000E-04    0.954705E+00
  33    0.302070E-05    0.280043E+03 -0.107866E-07 0.100000E-04    0.990478E+00
  34    0.132414E-05    0.271748E+03 -0.487265E-08 0.100000E-04    0.990068E+00
  35    0.882084E-05    0.265812E+03 -0.331845E-07 0.100000E-04    0.990296E+00
  36    0.117678E-05    0.261911E+03 -0.449307E-08 0.100000E-04    0.983116E+00
  37   -0.368825E-05    0.257655E+03  0.143147E-07 0.100000E-04    0.989335E+00
  38   -0.219025E-05    0.253369E+03  0.864451E-08 0.100000E-04    0.992264E+00
  39   -0.640155E-05    0.244497E+03  0.261825E-07 0.100000E-04    0.989699E+00
  40    0.206292E-05    0.239790E+03 -0.860306E-08 0.100000E-04    0.977699E+00
  41    0.285737E-05    0.233944E+03 -0.122139E-07 0.100000E-04    0.981898E+00
  42   -0.139565E-05    0.228414E+03  0.611020E-08 0.100000E-04    0.983902E+00
  43    0.121523E-05    0.225249E+03 -0.539508E-08 0.100000E-04    0.987210E+00
  44   -0.613078E-06    0.212929E+03  0.287926E-08 0.100000E-04    0.943701E+00
  45    0.297380E-05    0.211125E+03 -0.140855E-07 0.100000E-04    0.992424E+00
  46   -0.276006E-05    0.210018E+03  0.131420E-07 0.100000E-04    0.979822E+00
  47   -0.889212E-05    0.202850E+03  0.438359E-07 0.100000E-04    0.988870E+00
  48   -0.118803E-05    0.198724E+03  0.597828E-08 0.100000E-04    0.997291E+00
  49    0.450813E-05    0.195257E+03 -0.230882E-07 0.100000E-04    0.987194E+00
  50   -0.386607E-05    0.191674E+03  0.201700E-07 0.100000E-04    0.990468E+00
  51   -0.355540E-05    0.186515E+03  0.190623E-07 0.100000E-04    0.989867E+00
  52    0.459471E-06    0.178620E+03 -0.257234E-08 0.100000E-04    0.998768E+00
  53   -0.397947E-05    0.170676E+03  0.233160E-07 0.100000E-04    0.991061E+00
  54    0.132922E-05    0.168144E+03 -0.790525E-08 0.100000E-04    0.979839E+00
  55    0.748838E-05    0.165788E+03 -0.451684E-07 0.100000E-04    0.990519E+00
  56   -0.278779E-05    0.160685E+03  0.173494E-07 0.100000E-04    0.991007E+00
  57    0.122557E-05    0.153900E+03 -0.796340E-08 0.100000E-04    0.991922E+00
  58    0.590477E-05    0.151067E+03 -0.390871E-07 0.100000E-04    0.990895E+00
  59   -0.367356E-05    0.148378E+03  0.247581E-07 0.100000E-04    0.989149E+00
  60   -0.591847E-05    0.142429E+03  0.415539E-07 0.100000E-04    0.989132E+00
  61    0.450296E-05    0.136889E+03 -0.328950E-07 0.100000E-04    0.989503E+00
  62    0.145001E-04    0.134577E+03 -0.107746E-06 0.100000E-04    0.991220E+00
  63   -0.916072E-05    0.131030E+03  0.699130E-07 0.100000E-04    0.990722E+00
  64   -0.155765E-05    0.127708E+03  0.121970E-07 0.100000E-04    0.984919E+00
  65    0.164930E-05    0.125618E+03 -0.131295E-07 0.100000E-04    0.999497E+00
  66   -0.968964E-05    0.124350E+03  0.779223E-07 0.100000E-04    0.989960E+00
  67   -0.775759E-06    0.119424E+03  0.649585E-08 0.100000E-04    0.993372E+00
  68    0.252090E-05    0.117986E+03 -0.213661E-07 0.100000E-04    0.988774E+00
  69   -0.769618E-06    0.116274E+03  0.661902E-08 0.100000E-04    0.987491E+00
  70   -0.373750E-05    0.112840E+03  0.331222E-07 0.100000E-04    0.982823E+00
  71    0.192512E-06    0.110398E+03 -0.174381E-08 0.100000E-04    0.978592E+00
  72   -0.115058E-04    0.105683E+03  0.108871E-06 0.100000E-04    0.988807E+00
  73    0.338990E-05    0.102832E+03 -0.329655E-07 0.100000E-04    0.980848E+00
  74    0.143370E-04    0.100635E+03 -0.142466E-06 0.100000E-04    0.990184E+00
  75    0.779623E-05    0.972276E+02 -0.801853E-07 0.100000E-04    0.985635E+00
  76    0.111517E-04    0.950174E+02 -0.117365E-06 0.100000E-04    0.988921E+00
  77    0.133285E-06    0.915014E+02 -0.145665E-08 0.100000E-04    0.970518E+00
  78   -0.202374E-04    0.904424E+02  0.223760E-06 0.100000E-04    0.988437E+00
  79   -0.232676E-04    0.878330E+02  0.264907E-06 0.100000E-04    0.991858E+00
  80   -0.468134E-05    0.844399E+02  0.554399E-07 0.100000E-04    0.986261E+00
  81    0.613890E-05    0.809010E+02 -0.758816E-07 0.100000E-04    0.988471E+00
  82   -0.111124E-04    0.790116E+02  0.140643E-06 0.100000E-04    0.987962E+00
  83   -0.847582E-05    0.787366E+02  0.107648E-06 0.100000E-04    0.997023E+00
  84   -0.723027E-05    0.731081E+02  0.988984E-07 0.100000E-04    0.987375E+00
  85    0.154900E-04    0.712439E+02 -0.217422E-06 0.100000E-04    0.990551E+00
  86    0.199024E-04    0.696472E+02 -0.285760E-06 0.100000E-04    0.990250E+00
  87    0.628367E-05    0.675680E+02 -0.929977E-07 0.100000E-04    0.999362E+00
  88    0.885938E-06    0.636374E+02 -0.139217E-07 0.100000E-04    0.984342E+00
  89    0.171883E-04    0.623731E+02 -0.275573E-06 0.100000E-04    0.989926E+00
  90    0.782494E-05    0.596610E+02 -0.131157E-06 0.100000E-04    0.988619E+00
  91   -0.134720E-05    0.584837E+02  0.230355E-07 0.100000E-04    0.994233E+00
  92    0.170629E-04    0.558317E+02 -0.305613E-06 0.100000E-04    0.986791E+00
  93   -0.255310E-04    0.536826E+02  0.475592E-06 0.100000E-04    0.991782E+00
  94   -0.100787E-04    0.523530E+02  0.192515E-06 0.100000E-04    0.986957E+00
  95   -0.248693E-04    0.502899E+02  0.494518E-06 0.100000E-04    0.992650E+00
  96    0.681929E-05    0.480376E+02 -0.141957E-06 0.100000E-04    0.992823E+00
  97   -0.136442E-04    0.437822E+02  0.311639E-06 0.100000E-04    0.989544E+00
  98   -0.101859E-04    0.397261E+02  0.256403E-06 0.100000E-04    0.991088E+00
  99   -0.153537E-04    0.377212E+02  0.407032E-06 0.100000E-04    0.983486E+00
 100    0.243033E-04    0.361258E+02 -0.672740E-06 0.100000E-04    0.992058E+00
 101   -0.661902E-04    0.345735E+02  0.191448E-05 0.100000E-04    0.990074E+00
 102    0.276850E-04    0.298244E+02 -0.928266E-06 0.100000E-04    0.991545E+00
 103    0.218647E-04    0.290205E+02 -0.753421E-06 0.100000E-04    0.990245E+00
 104   -0.305841E-04    0.287010E+02  0.106561E-05 0.100000E-04    0.992236E+00
 105    0.107981E-04    0.235982E+02 -0.457583E-06 0.100000E-04    0.981685E+00
 106   -0.420997E-05    0.218743E+02  0.192462E-06 0.100000E-04    0.998006E+00
 107   -0.647702E-04    0.196129E+02  0.330242E-05 0.100000E-04    0.989066E+00
 108   -0.783374E-04    0.165261E+02  0.474023E-05 0.100000E-04    0.995703E+00
 109   -0.518051E-04    0.139226E+02  0.372092E-05 0.100000E-04    0.992807E+00
 110   -0.252609E-04    0.127381E+02  0.198310E-05 0.100000E-04    0.973022E+00
 111   -0.763455E-04    0.117713E+02  0.648576E-05 0.100000E-04    0.988829E+00
 112   -0.280905E-04    0.935843E+01  0.300163E-05 0.100000E-04    0.997407E+00
 113   -0.134258E-02    0.756031E+01  0.100000E-04 0.100000E-04    0.262184E+00
 114   -0.172634E+00    0.477539E+01 -0.400000E-03 0.400000E-03    0.776350E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3610363568E-01

 Beginning of optimization cycle   71.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3998600894
 potential> RMS force:                                               0.0163480024   |gradient|=.1745489004    
 Eigenvalues of the Hessian matrix:
   717.78059    670.07108    622.68320    602.83067    589.61023    563.42609 
   560.48109    477.68302    470.94629    463.72934    441.61324    432.02850 
   420.13547    405.37563    398.47799    388.23459    366.93099    364.26396 
   352.98318    344.72938    323.97534    323.73811    318.90878    316.13194 
   305.39916    287.28728    280.04030    271.74086    265.80988    261.91719 
   257.65484    253.36909    244.48108    239.77934    233.95278    228.41651 
   225.23035    212.92232    211.12391    210.01465    202.85191    198.71836 
   195.25981    191.67223    186.51167    178.60512    170.67582    168.14438 
   165.78673    160.68276    153.89341    151.06631    148.38508    142.43339 
   136.88953    134.58145    131.02988    127.70725    125.62136    124.35801 
   119.42350    117.98460    116.27781    112.83307    110.39129    105.67862 
   102.83127    100.63061     97.22788     95.01826     91.49475     90.44748 
    87.84406     84.44071     80.90022     79.01375     78.73609     73.10527 
    71.24698     69.63880     67.57186     63.63284     62.36958     59.66108 
    58.48678     55.83121     53.68166     52.35121     50.29051     48.03692 
    43.77776     39.72921     37.71331     36.12826     34.57943     29.81477 
    29.01934     28.70147     23.59260     21.87509     19.61110     16.53013 
    13.92045     12.73312     11.76419      9.36038      7.56153      4.77704 
overlap for current and previous eigenvector    109 is        -0.9999942495
overlap for current and previous eigenvector    110 is        -0.9999895464
overlap for current and previous eigenvector    111 is         0.9999871395
overlap for current and previous eigenvector    112 is         0.9999996345
overlap for current and previous eigenvector    113 is         0.9999993015
overlap for current and previous eigenvector    114 is         0.9999991809
J1,K1,R1,R2,RAT=   7   7    0.1452063412E-01     1.985314656        0.9853146562    
FOB,PFOB,DIAG,PSTEP=    0.2513706351E-06    0.2550747878E-06     717.7805930       -0.3553952261E-09
J1,K1,R1,R2,RAT=   8   8   -0.3028661315E-01     2.030228654        0.9697133869    
FOB,PFOB,DIAG,PSTEP=   -0.3676937667E-06   -0.3568846268E-06     670.0710814        0.5326225522E-09
J1,K1,R1,R2,RAT=   9   9   -0.8178442995E-02     2.008096347        0.9918215570    
FOB,PFOB,DIAG,PSTEP=    0.5183410272E-06    0.5141360224E-06     622.6832007       -0.8257122193E-09
J1,K1,R1,R2,RAT=  10  10   -0.4565144845E-02     2.004497616        0.9954348552    
FOB,PFOB,DIAG,PSTEP=    0.1204346650E-05    0.1198873434E-05     602.8306666       -0.1988807109E-08
J1,K1,R1,R2,RAT=  11  11   -0.2468195259E-02     2.002455925        0.9975318047    
FOB,PFOB,DIAG,PSTEP=   -0.8974304853E-06   -0.8952208918E-06     589.6102274        0.1518335915E-08
J1,K1,R1,R2,RAT= 109 109     2.007393362       -0.7079765808E-02    0.9929202342    
FOB,PFOB,DIAG,PSTEP=    0.5217177783E-04   -0.5180506758E-04     13.92045226        0.3720924072E-05
J1,K1,R1,R2,RAT= 110 110     2.027452346       -0.2666959746E-01    0.9733304025    
FOB,PFOB,DIAG,PSTEP=    0.2593433636E-04   -0.2526090185E-04     12.73311804        0.1983097869E-05
J1,K1,R1,R2,RAT= 111 111   -0.1099713903E-01     2.012198210        0.9890028610    
FOB,PFOB,DIAG,PSTEP=   -0.7718462420E-04   -0.7634554552E-04     11.76418672        0.6485762819E-05
J1,K1,R1,R2,RAT= 112 112    0.2423248373E-02     1.997160201        0.9971602014    
FOB,PFOB,DIAG,PSTEP=   -0.2802245269E-04   -0.2809053722E-04     9.360378581        0.3001629555E-05
J1,K1,R1,R2,RAT= 113 113   -0.7506394867         36.26133175        0.2493605133    
FOB,PFOB,DIAG,PSTEP=   -0.1399335252E-02   -0.1342575438E-02     7.561527827        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9992066953        -181.6903086        0.7933047099E-03
FOB,PFOB,DIAG,PSTEP=   -0.1745431924       -0.1726338904         4.777044598       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000     -0.00000     -0.00001      0.00000      0.00001 
    -0.00000     -0.00001     -0.00001     -0.00000     -0.00000     -0.00001 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00001 
     0.00000     -0.00001     -0.00001      0.00001     -0.00000      0.00002 
    -0.00002     -0.00000      0.00001     -0.00001      0.00001      0.00001 
     0.00002      0.00002      0.00001     -0.00000     -0.00002      0.00001 
    -0.00000      0.00002     -0.00003     -0.00001      0.00003      0.00001 
    -0.00001     -0.00001      0.00002     -0.00002      0.00007     -0.00003 
    -0.00002      0.00003     -0.00001     -0.00000      0.00007      0.00008 
     0.00005      0.00003     -0.00008     -0.00003     -0.00140     -0.17454 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4356533058
 Log product of positive Hessian eigenvalues =          520.4757536661
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7770445979
 Unscaled step for mode    7=       -0.0000000004
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000042
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000103
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000017
 Unscaled step for mode   17=       -0.0000000016
 Unscaled step for mode   18=       -0.0000000060
 Unscaled step for mode   19=       -0.0000000118
 Unscaled step for mode   20=       -0.0000000167
 Unscaled step for mode   21=       -0.0000000086
 Unscaled step for mode   22=        0.0000000019
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000169
 Unscaled step for mode   26=        0.0000000251
 Unscaled step for mode   27=        0.0000000171
 Unscaled step for mode   28=       -0.0000000136
 Unscaled step for mode   29=        0.0000000149
 Unscaled step for mode   30=        0.0000000116
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=       -0.0000000007
 Unscaled step for mode   33=       -0.0000000109
 Unscaled step for mode   34=       -0.0000000049
 Unscaled step for mode   35=       -0.0000000335
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000145
 Unscaled step for mode   38=        0.0000000087
 Unscaled step for mode   39=        0.0000000265
 Unscaled step for mode   40=       -0.0000000088
 Unscaled step for mode   41=       -0.0000000124
 Unscaled step for mode   42=        0.0000000062
 Unscaled step for mode   43=       -0.0000000055
 Unscaled step for mode   44=        0.0000000030
 Unscaled step for mode   45=       -0.0000000142
 Unscaled step for mode   46=        0.0000000134
 Unscaled step for mode   47=        0.0000000443
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000234
 Unscaled step for mode   50=        0.0000000204
 Unscaled step for mode   51=        0.0000000193
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000235
 Unscaled step for mode   54=       -0.0000000081
 Unscaled step for mode   55=       -0.0000000456
 Unscaled step for mode   56=        0.0000000175
 Unscaled step for mode   57=        0.0000000080
 Unscaled step for mode   58=        0.0000000394
 Unscaled step for mode   59=       -0.0000000250
 Unscaled step for mode   60=       -0.0000000420
 Unscaled step for mode   61=        0.0000000332
 Unscaled step for mode   62=        0.0000001087
 Unscaled step for mode   63=        0.0000000706
 Unscaled step for mode   64=        0.0000000124
 Unscaled step for mode   65=        0.0000000131
 Unscaled step for mode   66=        0.0000000787
 Unscaled step for mode   67=       -0.0000000065
 Unscaled step for mode   68=       -0.0000000216
 Unscaled step for mode   69=        0.0000000065
 Unscaled step for mode   70=        0.0000000337
 Unscaled step for mode   71=       -0.0000000017
 Unscaled step for mode   72=       -0.0000001101
 Unscaled step for mode   73=       -0.0000000336
 Unscaled step for mode   74=        0.0000001439
 Unscaled step for mode   75=        0.0000000813
 Unscaled step for mode   76=       -0.0000001187
 Unscaled step for mode   77=        0.0000000015
 Unscaled step for mode   78=       -0.0000002263
 Unscaled step for mode   79=        0.0000002670
 Unscaled step for mode   80=        0.0000000562
 Unscaled step for mode   81=       -0.0000000767
 Unscaled step for mode   82=        0.0000001423
 Unscaled step for mode   83=       -0.0000001073
 Unscaled step for mode   84=       -0.0000001001
 Unscaled step for mode   85=       -0.0000002194
 Unscaled step for mode   86=       -0.0000002885
 Unscaled step for mode   87=       -0.0000000930
 Unscaled step for mode   88=        0.0000000137
 Unscaled step for mode   89=        0.0000002783
 Unscaled step for mode   90=       -0.0000001326
 Unscaled step for mode   91=        0.0000000229
 Unscaled step for mode   92=       -0.0000003096
 Unscaled step for mode   93=        0.0000004794
 Unscaled step for mode   94=        0.0000001950
 Unscaled step for mode   95=       -0.0000004981
 Unscaled step for mode   96=       -0.0000001430
 Unscaled step for mode   97=        0.0000003149
 Unscaled step for mode   98=        0.0000002586
 Unscaled step for mode   99=       -0.0000004138
 Unscaled step for mode  100=        0.0000006780
 Unscaled step for mode  101=       -0.0000019329
 Unscaled step for mode  102=        0.0000009363
 Unscaled step for mode  103=        0.0000007607
 Unscaled step for mode  104=       -0.0000010737
 Unscaled step for mode  105=        0.0000004660
 Unscaled step for mode  106=        0.0000001920
 Unscaled step for mode  107=       -0.0000033384
 Unscaled step for mode  108=       -0.0000047587
 Unscaled step for mode  109=       -0.0000037479
 Unscaled step for mode  110=       -0.0000020368
 Unscaled step for mode  111=        0.0000065610
 Unscaled step for mode  112=        0.0000029937
 Unscaled step for mode  113=        0.0001850598
 Unscaled step for mode  114=       -0.0364892541
 Largest modulus ratio of non-zero e/values=           150.2562051    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.231802E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.147451E-16    0.100774E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.247087E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.963953E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.140946E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.100912E-15    0.973477E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.251371E-06    0.717781E+03 -0.350205E-09 0.100000E-04    0.985315E+00
   8   -0.367694E-06    0.670071E+03  0.548738E-09 0.100000E-04    0.969713E+00
   9    0.518341E-06    0.622683E+03 -0.832431E-09 0.100000E-04    0.991822E+00
  10    0.120435E-05    0.602831E+03 -0.199782E-08 0.100000E-04    0.995435E+00
  11   -0.897430E-06    0.589610E+03  0.152207E-08 0.100000E-04    0.997532E+00
  12    0.236508E-05    0.563426E+03 -0.419768E-08 0.100000E-04    0.994906E+00
  13    0.208842E-05    0.560481E+03 -0.372612E-08 0.100000E-04    0.999234E+00
  14   -0.491297E-05    0.477683E+03  0.102850E-07 0.100000E-04    0.995712E+00
  15    0.150999E-05    0.470946E+03 -0.320630E-08 0.100000E-04    0.996837E+00
  16    0.806138E-06    0.463729E+03 -0.173838E-08 0.100000E-04    0.985303E+00
  17    0.706371E-06    0.441613E+03 -0.159952E-08 0.100000E-04    0.983508E+00
  18    0.258961E-05    0.432028E+03 -0.599407E-08 0.100000E-04    0.993526E+00
  19    0.495868E-05    0.420135E+03 -0.118026E-07 0.100000E-04    0.991355E+00
  20    0.677154E-05    0.405376E+03 -0.167044E-07 0.100000E-04    0.994900E+00
  21    0.343740E-05    0.398478E+03 -0.862632E-08 0.100000E-04    0.990863E+00
  22   -0.726317E-06    0.388235E+03  0.187082E-08 0.100000E-04    0.985991E+00
  23   -0.197580E-05    0.366931E+03  0.538468E-08 0.100000E-04    0.999176E+00
  24    0.176870E-05    0.364264E+03 -0.485555E-08 0.100000E-04    0.996477E+00
  25   -0.597109E-05    0.352983E+03  0.169161E-07 0.100000E-04    0.991147E+00
  26   -0.866349E-05    0.344729E+03  0.251313E-07 0.100000E-04    0.989859E+00
  27   -0.554395E-05    0.323975E+03  0.171122E-07 0.100000E-04    0.988255E+00
  28    0.439856E-05    0.323738E+03 -0.135868E-07 0.100000E-04    0.962350E+00
  29   -0.473852E-05    0.318909E+03  0.148586E-07 0.100000E-04    0.985261E+00
  30   -0.366143E-05    0.316132E+03  0.115820E-07 0.100000E-04    0.989625E+00
  31   -0.104787E-05    0.305399E+03  0.343116E-08 0.100000E-04    0.979831E+00
  32    0.189493E-06    0.287287E+03 -0.659595E-09 0.100000E-04    0.951683E+00
  33    0.304924E-05    0.280040E+03 -0.108886E-07 0.100000E-04    0.990552E+00
  34    0.133726E-05    0.271741E+03 -0.492108E-08 0.100000E-04    0.990089E+00
  35    0.890570E-05    0.265810E+03 -0.335040E-07 0.100000E-04    0.990380E+00
  36    0.119660E-05    0.261917E+03 -0.456861E-08 0.100000E-04    0.983162E+00
  37   -0.372732E-05    0.257655E+03  0.144663E-07 0.100000E-04    0.989407E+00
  38   -0.220703E-05    0.253369E+03  0.871074E-08 0.100000E-04    0.992337E+00
  39   -0.646687E-05    0.244481E+03  0.264514E-07 0.100000E-04    0.989794E+00
  40    0.210845E-05    0.239779E+03 -0.879331E-08 0.100000E-04    0.977929E+00
  41    0.290869E-05    0.233953E+03 -0.124328E-07 0.100000E-04    0.982040E+00
  42   -0.141792E-05    0.228417E+03  0.620759E-08 0.100000E-04    0.984048E+00
  43    0.123073E-05    0.225230E+03 -0.546430E-08 0.100000E-04    0.987251E+00
  44   -0.646362E-06    0.212922E+03  0.303567E-08 0.100000E-04    0.945709E+00
  45    0.299564E-05    0.211124E+03 -0.141890E-07 0.100000E-04    0.992654E+00
  46   -0.281533E-05    0.210015E+03  0.134054E-07 0.100000E-04    0.979975E+00
  47   -0.899026E-05    0.202852E+03  0.443193E-07 0.100000E-04    0.988963E+00
  48   -0.118454E-05    0.198718E+03  0.596090E-08 0.100000E-04    0.997066E+00
  49    0.456541E-05    0.195260E+03 -0.233812E-07 0.100000E-04    0.987293E+00
  50   -0.390256E-05    0.191672E+03  0.203606E-07 0.100000E-04    0.990561E+00
  51   -0.359114E-05    0.186512E+03  0.192542E-07 0.100000E-04    0.989949E+00
  52    0.459956E-06    0.178605E+03 -0.257527E-08 0.100000E-04    0.998945E+00
  53   -0.401466E-05    0.170676E+03  0.235221E-07 0.100000E-04    0.991158E+00
  54    0.135577E-05    0.168144E+03 -0.806314E-08 0.100000E-04    0.980027E+00
  55    0.755869E-05    0.165787E+03 -0.455929E-07 0.100000E-04    0.990611E+00
  56   -0.281260E-05    0.160683E+03  0.175040E-07 0.100000E-04    0.991101E+00
  57   -0.123543E-05    0.153893E+03  0.802785E-08 0.100000E-04    0.991949E+00
  58   -0.595810E-05    0.151066E+03  0.394403E-07 0.100000E-04    0.990968E+00
  59    0.371298E-05    0.148385E+03 -0.250226E-07 0.100000E-04    0.989271E+00
  60    0.598217E-05    0.142433E+03 -0.419998E-07 0.100000E-04    0.989236E+00
  61   -0.454988E-05    0.136890E+03  0.332376E-07 0.100000E-04    0.989581E+00
  62   -0.146261E-04    0.134581E+03  0.108678E-06 0.100000E-04    0.991315E+00
  63   -0.924486E-05    0.131030E+03  0.705554E-07 0.100000E-04    0.990815E+00
  64   -0.158107E-05    0.127707E+03  0.123804E-07 0.100000E-04    0.984969E+00
  65   -0.164971E-05    0.125621E+03  0.131324E-07 0.100000E-04    0.999750E+00
  66   -0.978602E-05    0.124358E+03  0.786923E-07 0.100000E-04    0.990055E+00
  67    0.780887E-06    0.119423E+03 -0.653881E-08 0.100000E-04    0.993390E+00
  68    0.254896E-05    0.117985E+03 -0.216042E-07 0.100000E-04    0.988868E+00
  69   -0.759654E-06    0.116278E+03  0.653309E-08 0.100000E-04    0.986983E+00
  70   -0.380100E-05    0.112833E+03  0.336870E-07 0.100000E-04    0.983008E+00
  71    0.188125E-06    0.110391E+03 -0.170416E-08 0.100000E-04    0.977207E+00
  72    0.116335E-04    0.105679E+03 -0.110084E-06 0.100000E-04    0.988900E+00
  73    0.345418E-05    0.102831E+03 -0.335907E-07 0.100000E-04    0.981038E+00
  74   -0.144762E-04    0.100631E+03  0.143855E-06 0.100000E-04    0.990296E+00
  75   -0.790744E-05    0.972279E+02  0.813290E-07 0.100000E-04    0.985735E+00
  76    0.112741E-04    0.950183E+02 -0.118652E-06 0.100000E-04    0.989027E+00
  77   -0.137222E-06    0.914947E+02  0.149978E-08 0.100000E-04    0.970462E+00
  78    0.204693E-04    0.904475E+02 -0.226311E-06 0.100000E-04    0.988541E+00
  79   -0.234541E-04    0.878441E+02  0.266997E-06 0.100000E-04    0.991987E+00
  80   -0.474509E-05    0.844407E+02  0.561944E-07 0.100000E-04    0.986382E+00
  81    0.620890E-05    0.809002E+02 -0.767476E-07 0.100000E-04    0.988597E+00
  82   -0.112425E-04    0.790137E+02  0.142285E-06 0.100000E-04    0.988296E+00
  83    0.845032E-05    0.787361E+02 -0.107325E-06 0.100000E-04    0.996991E+00
  84    0.732082E-05    0.731053E+02 -0.100141E-06 0.100000E-04    0.987475E+00
  85    0.156349E-04    0.712470E+02 -0.219446E-06 0.100000E-04    0.990645E+00
  86    0.200940E-04    0.696388E+02 -0.288546E-06 0.100000E-04    0.990372E+00
  87    0.628620E-05    0.675719E+02 -0.930299E-07 0.100000E-04    0.999597E+00
  88   -0.871036E-06    0.636328E+02  0.136885E-07 0.100000E-04    0.983178E+00
  89   -0.173597E-04    0.623696E+02  0.278336E-06 0.100000E-04    0.990029E+00
  90    0.791305E-05    0.596611E+02 -0.132633E-06 0.100000E-04    0.988741E+00
  91   -0.133917E-05    0.584868E+02  0.228970E-07 0.100000E-04    0.993937E+00
  92    0.172861E-04    0.558312E+02 -0.309613E-06 0.100000E-04    0.986920E+00
  93   -0.257376E-04    0.536817E+02  0.479448E-06 0.100000E-04    0.991910E+00
  94   -0.102090E-04    0.523512E+02  0.195009E-06 0.100000E-04    0.987078E+00
  95    0.250491E-04    0.502905E+02 -0.498087E-06 0.100000E-04    0.992771E+00
  96    0.686754E-05    0.480369E+02 -0.142964E-06 0.100000E-04    0.992923E+00
  97   -0.137853E-04    0.437778E+02  0.314893E-06 0.100000E-04    0.989660E+00
  98   -0.102757E-04    0.397292E+02  0.258644E-06 0.100000E-04    0.991179E+00
  99    0.156056E-04    0.377133E+02 -0.413795E-06 0.100000E-04    0.983592E+00
 100   -0.244933E-04    0.361283E+02  0.677955E-06 0.100000E-04    0.992181E+00
 101    0.668383E-04    0.345794E+02 -0.193289E-05 0.100000E-04    0.990211E+00
 102   -0.279168E-04    0.298148E+02  0.936341E-06 0.100000E-04    0.991624E+00
 103   -0.220752E-04    0.290193E+02  0.760707E-06 0.100000E-04    0.990371E+00
 104    0.308177E-04    0.287015E+02 -0.107373E-05 0.100000E-04    0.992362E+00
 105   -0.109931E-04    0.235926E+02  0.465957E-06 0.100000E-04    0.981936E+00
 106   -0.420089E-05    0.218751E+02  0.192040E-06 0.100000E-04    0.997772E+00
 107    0.654688E-04    0.196111E+02 -0.333836E-05 0.100000E-04    0.989213E+00
 108    0.786623E-04    0.165301E+02 -0.475872E-05 0.100000E-04    0.995854E+00
 109    0.521718E-04    0.139205E+02 -0.374785E-05 0.100000E-04    0.992920E+00
 110    0.259343E-04    0.127331E+02 -0.203676E-05 0.100000E-04    0.973330E+00
 111   -0.771846E-04    0.117642E+02  0.656098E-05 0.100000E-04    0.989003E+00
 112   -0.280225E-04    0.936038E+01  0.299373E-05 0.100000E-04    0.997160E+00
 113   -0.139934E-02    0.756153E+01  0.100000E-04 0.100000E-04    0.249361E+00
 114   -0.174543E+00    0.477704E+01 -0.400000E-03 0.400000E-03    0.793305E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3648925409E-01

 Beginning of optimization cycle   72.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3997899044
 potential> RMS force:                                               0.0165269206   |gradient|=.1764592240    
 Eigenvalues of the Hessian matrix:
   717.83972    670.09045    622.70865    602.85088    589.61374    563.44890 
   560.51893    477.69747    470.92427    463.71699    441.60953    432.01733 
   420.14306    405.38625    398.47454    388.24001    366.93126    364.25338 
   352.97251    344.68877    323.97974    323.70960    318.90268    316.15182 
   305.39799    287.28836    280.03721    271.73337    265.80804    261.92347 
   257.65505    253.36958    244.46553    239.76895    233.96210    228.41934 
   225.21203    212.91559    211.12291    210.01136    202.85362    198.71319 
   195.26300    191.67064    186.50859    178.59029    170.67600    168.14424 
   165.78541    160.68042    153.88689    151.06580    148.39211    142.43817 
   136.89024    134.58549    131.02938    127.70662    125.62481    124.36594 
   119.42326    117.98338    116.28190    112.82655    110.38488    105.67468 
   102.83077    100.62639     97.22812     95.01912     91.48814     90.45255 
    87.85509     84.44149     80.89948     79.01598     78.73551     73.10243 
    71.25009     69.63037     67.57568     63.62828     62.36596     59.66111 
    58.48988     55.83073     53.68066     52.34945     50.29108     48.03625 
    43.77330     39.73233     37.70542     36.13070     34.58539     29.80515 
    29.01814     28.70197     23.58704     21.87589     19.60931     16.53413 
    13.91829     12.72816     11.75705      9.36233      7.56273      4.77866 
overlap for current and previous eigenvector    109 is         0.9999943195
overlap for current and previous eigenvector    110 is        -0.9999895502
overlap for current and previous eigenvector    111 is        -0.9999870989
overlap for current and previous eigenvector    112 is        -0.9999996334
overlap for current and previous eigenvector    113 is        -0.9999993013
overlap for current and previous eigenvector    114 is        -0.9999991849
J1,K1,R1,R2,RAT=   7   7    0.1512826193E-01     1.984707005        0.9847070047    
FOB,PFOB,DIAG,PSTEP=    0.2475675210E-06    0.2513706351E-06     717.8397191       -0.3502053936E-09
J1,K1,R1,R2,RAT=   8   8   -0.2960452970E-01     2.029546722        0.9703954703    
FOB,PFOB,DIAG,PSTEP=   -0.3785794824E-06   -0.3676937667E-06     670.0904497        0.5487384502E-09
J1,K1,R1,R2,RAT=   9   9   -0.8059531951E-02     2.007977783        0.9919404680    
FOB,PFOB,DIAG,PSTEP=    0.5225187840E-06    0.5183410272E-06     622.7086535       -0.8324313658E-09
J1,K1,R1,R2,RAT=  10  10   -0.4507626531E-02     2.004440574        0.9954923735    
FOB,PFOB,DIAG,PSTEP=    0.1209775577E-05    0.1204346650E-05     602.8508780       -0.1997819150E-08
J1,K1,R1,R2,RAT=  11  11   -0.2431411166E-02     2.002419480        0.9975685888    
FOB,PFOB,DIAG,PSTEP=   -0.8996125208E-06   -0.8974304853E-06     589.6137449        0.1522074149E-08
J1,K1,R1,R2,RAT= 109 109   -0.6968873024E-02     2.007279615        0.9930311270    
FOB,PFOB,DIAG,PSTEP=    0.5253529984E-04    0.5217177783E-04     13.91828976       -0.3747850776E-05
J1,K1,R1,R2,RAT= 110 110     2.027141461       -0.2636245842E-01    0.9736375416    
FOB,PFOB,DIAG,PSTEP=   -0.2661776303E-04    0.2593433636E-04     12.72816041       -0.2036762424E-05
J1,K1,R1,R2,RAT= 111 111     2.012040659       -0.1082613392E-01    0.9891738661    
FOB,PFOB,DIAG,PSTEP=    0.7801972815E-04   -0.7718462420E-04     11.75704710        0.6560982586E-05
J1,K1,R1,R2,RAT= 112 112     1.996914922        0.2668943831E-02    0.9969149219    
FOB,PFOB,DIAG,PSTEP=    0.2794764677E-04   -0.2802245269E-04     9.362326574        0.2993730696E-05
J1,K1,R1,R2,RAT= 113 113     37.76938593       -0.7633147755        0.2366852245    
FOB,PFOB,DIAG,PSTEP=    0.1457062714E-02   -0.1399335252E-02     7.562733403        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -183.6267817        0.9991895205        0.8104794826E-03
FOB,PFOB,DIAG,PSTEP=    0.1764531089       -0.1745431924         4.778664339       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00001     -0.00000      0.00000     -0.00001 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00001     -0.00001      0.00000     -0.00002 
    -0.00002     -0.00000      0.00001      0.00001     -0.00001     -0.00001 
    -0.00002     -0.00002     -0.00001     -0.00000      0.00002     -0.00001 
    -0.00000      0.00002     -0.00003      0.00001     -0.00003      0.00001 
     0.00001     -0.00001     -0.00002     -0.00002     -0.00007      0.00003 
     0.00002      0.00003      0.00001      0.00000     -0.00007     -0.00008 
     0.00005     -0.00003      0.00008      0.00003      0.00146      0.17645 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4357173037
 Log product of positive Hessian eigenvalues =          520.4745651818
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7786643392
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000042
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000103
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000018
 Unscaled step for mode   17=       -0.0000000016
 Unscaled step for mode   18=       -0.0000000060
 Unscaled step for mode   19=       -0.0000000119
 Unscaled step for mode   20=       -0.0000000168
 Unscaled step for mode   21=       -0.0000000087
 Unscaled step for mode   22=        0.0000000018
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000171
 Unscaled step for mode   26=        0.0000000254
 Unscaled step for mode   27=        0.0000000170
 Unscaled step for mode   28=       -0.0000000140
 Unscaled step for mode   29=        0.0000000151
 Unscaled step for mode   30=        0.0000000117
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=       -0.0000000006
 Unscaled step for mode   33=       -0.0000000110
 Unscaled step for mode   34=       -0.0000000050
 Unscaled step for mode   35=       -0.0000000338
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000146
 Unscaled step for mode   38=        0.0000000088
 Unscaled step for mode   39=        0.0000000267
 Unscaled step for mode   40=       -0.0000000090
 Unscaled step for mode   41=       -0.0000000127
 Unscaled step for mode   42=        0.0000000063
 Unscaled step for mode   43=       -0.0000000055
 Unscaled step for mode   44=        0.0000000032
 Unscaled step for mode   45=       -0.0000000143
 Unscaled step for mode   46=        0.0000000137
 Unscaled step for mode   47=        0.0000000448
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000237
 Unscaled step for mode   50=        0.0000000206
 Unscaled step for mode   51=        0.0000000194
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000237
 Unscaled step for mode   54=       -0.0000000082
 Unscaled step for mode   55=       -0.0000000460
 Unscaled step for mode   56=        0.0000000177
 Unscaled step for mode   57=       -0.0000000081
 Unscaled step for mode   58=       -0.0000000398
 Unscaled step for mode   59=        0.0000000253
 Unscaled step for mode   60=        0.0000000424
 Unscaled step for mode   61=        0.0000000336
 Unscaled step for mode   62=       -0.0000001096
 Unscaled step for mode   63=        0.0000000712
 Unscaled step for mode   64=        0.0000000126
 Unscaled step for mode   65=       -0.0000000131
 Unscaled step for mode   66=        0.0000000795
 Unscaled step for mode   67=       -0.0000000066
 Unscaled step for mode   68=       -0.0000000218
 Unscaled step for mode   69=        0.0000000064
 Unscaled step for mode   70=        0.0000000343
 Unscaled step for mode   71=        0.0000000017
 Unscaled step for mode   72=        0.0000001113
 Unscaled step for mode   73=        0.0000000342
 Unscaled step for mode   74=       -0.0000001452
 Unscaled step for mode   75=        0.0000000825
 Unscaled step for mode   76=        0.0000001199
 Unscaled step for mode   77=       -0.0000000015
 Unscaled step for mode   78=        0.0000002289
 Unscaled step for mode   79=        0.0000002691
 Unscaled step for mode   80=        0.0000000570
 Unscaled step for mode   81=       -0.0000000776
 Unscaled step for mode   82=       -0.0000001439
 Unscaled step for mode   83=        0.0000001070
 Unscaled step for mode   84=        0.0000001014
 Unscaled step for mode   85=        0.0000002215
 Unscaled step for mode   86=        0.0000002913
 Unscaled step for mode   87=        0.0000000930
 Unscaled step for mode   88=        0.0000000134
 Unscaled step for mode   89=       -0.0000002811
 Unscaled step for mode   90=        0.0000001341
 Unscaled step for mode   91=        0.0000000228
 Unscaled step for mode   92=       -0.0000003136
 Unscaled step for mode   93=        0.0000004833
 Unscaled step for mode   94=       -0.0000001975
 Unscaled step for mode   95=        0.0000005016
 Unscaled step for mode   96=       -0.0000001440
 Unscaled step for mode   97=       -0.0000003181
 Unscaled step for mode   98=        0.0000002609
 Unscaled step for mode   99=        0.0000004206
 Unscaled step for mode  100=        0.0000006831
 Unscaled step for mode  101=        0.0000019512
 Unscaled step for mode  102=       -0.0000009444
 Unscaled step for mode  103=       -0.0000007680
 Unscaled step for mode  104=       -0.0000010818
 Unscaled step for mode  105=       -0.0000004744
 Unscaled step for mode  106=       -0.0000001916
 Unscaled step for mode  107=        0.0000033742
 Unscaled step for mode  108=        0.0000047766
 Unscaled step for mode  109=       -0.0000037746
 Unscaled step for mode  110=        0.0000020912
 Unscaled step for mode  111=       -0.0000066360
 Unscaled step for mode  112=       -0.0000029851
 Unscaled step for mode  113=       -0.0001926635
 Unscaled step for mode  114=        0.0368749847
 Largest modulus ratio of non-zero e/values=           150.2176483    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.835053E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.574193E-15    0.100774E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.385141E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.628837E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.127394E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.510009E-15    0.973478E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.247568E-06    0.717840E+03 -0.344879E-09 0.100000E-04    0.984707E+00
   8   -0.378579E-06    0.670090E+03  0.564968E-09 0.100000E-04    0.970395E+00
   9    0.522519E-06    0.622709E+03 -0.839106E-09 0.100000E-04    0.991940E+00
  10    0.120978E-05    0.602851E+03 -0.200676E-08 0.100000E-04    0.995492E+00
  11   -0.899613E-06    0.589614E+03  0.152577E-08 0.100000E-04    0.997569E+00
  12    0.237702E-05    0.563449E+03 -0.421870E-08 0.100000E-04    0.994951E+00
  13    0.208687E-05    0.560519E+03 -0.372310E-08 0.100000E-04    0.999121E+00
  14   -0.493369E-05    0.477697E+03  0.103281E-07 0.100000E-04    0.995783E+00
  15    0.151470E-05    0.470924E+03 -0.321645E-08 0.100000E-04    0.996882E+00
  16    0.817913E-06    0.463717E+03 -0.176382E-08 0.100000E-04    0.985393E+00
  17    0.717909E-06    0.441610E+03 -0.162566E-08 0.100000E-04    0.983666E+00
  18    0.260622E-05    0.432017E+03 -0.603269E-08 0.100000E-04    0.993583E+00
  19    0.500123E-05    0.420143E+03 -0.119036E-07 0.100000E-04    0.991419E+00
  20    0.680564E-05    0.405386E+03 -0.167880E-07 0.100000E-04    0.994965E+00
  21    0.346849E-05    0.398475E+03 -0.870443E-08 0.100000E-04    0.990954E+00
  22   -0.715789E-06    0.388240E+03  0.184368E-08 0.100000E-04    0.985477E+00
  23   -0.197727E-05    0.366931E+03  0.538867E-08 0.100000E-04    0.999258E+00
  24    0.177477E-05    0.364253E+03 -0.487235E-08 0.100000E-04    0.996569E+00
  25   -0.602356E-05    0.352973E+03  0.170652E-07 0.100000E-04    0.991213E+00
  26   -0.875073E-05    0.344689E+03  0.253873E-07 0.100000E-04    0.989928E+00
  27   -0.550182E-05    0.323980E+03  0.169820E-07 0.100000E-04    0.992374E+00
  28    0.452270E-05    0.323710E+03 -0.139715E-07 0.100000E-04    0.971776E+00
  29   -0.480776E-05    0.318903E+03  0.150760E-07 0.100000E-04    0.985388E+00
  30   -0.369962E-05    0.316152E+03  0.117020E-07 0.100000E-04    0.989571E+00
  31   -0.106879E-05    0.305398E+03  0.349967E-08 0.100000E-04    0.980039E+00
  32    0.179701E-06    0.287288E+03 -0.625506E-09 0.100000E-04    0.948314E+00
  33    0.307783E-05    0.280037E+03 -0.109908E-07 0.100000E-04    0.990625E+00
  34    0.135048E-05    0.271733E+03 -0.496989E-08 0.100000E-04    0.990110E+00
  35    0.899064E-05    0.265808E+03 -0.338238E-07 0.100000E-04    0.990462E+00
  36    0.121669E-05    0.261923E+03 -0.464522E-08 0.100000E-04    0.983209E+00
  37   -0.376654E-05    0.257655E+03  0.146185E-07 0.100000E-04    0.989477E+00
  38   -0.222379E-05    0.253370E+03  0.877685E-08 0.100000E-04    0.992409E+00
  39   -0.653226E-05    0.244466E+03  0.267206E-07 0.100000E-04    0.989888E+00
  40    0.215451E-05    0.239769E+03 -0.898578E-08 0.100000E-04    0.978155E+00
  41    0.296053E-05    0.233962E+03 -0.126539E-07 0.100000E-04    0.982179E+00
  42   -0.144033E-05    0.228419E+03  0.630565E-08 0.100000E-04    0.984191E+00
  43    0.124637E-05    0.225212E+03 -0.553419E-08 0.100000E-04    0.987291E+00
  44   -0.680257E-06    0.212916E+03  0.319496E-08 0.100000E-04    0.947560E+00
  45    0.301698E-05    0.211123E+03 -0.142901E-07 0.100000E-04    0.992879E+00
  46   -0.287125E-05    0.210011E+03  0.136719E-07 0.100000E-04    0.980136E+00
  47   -0.908866E-05    0.202854E+03  0.448040E-07 0.100000E-04    0.989055E+00
  48   -0.118080E-05    0.198713E+03  0.594221E-08 0.100000E-04    0.996840E+00
  49    0.462298E-05    0.195263E+03 -0.236757E-07 0.100000E-04    0.987391E+00
  50   -0.393903E-05    0.191671E+03  0.205510E-07 0.100000E-04    0.990654E+00
  51   -0.362695E-05    0.186509E+03  0.194465E-07 0.100000E-04    0.990029E+00
  52    0.460359E-06    0.178590E+03 -0.257774E-08 0.100000E-04    0.999123E+00
  53   -0.404977E-05    0.170676E+03  0.237278E-07 0.100000E-04    0.991253E+00
  54    0.138260E-05    0.168144E+03 -0.822270E-08 0.100000E-04    0.980212E+00
  55    0.762899E-05    0.165785E+03 -0.460172E-07 0.100000E-04    0.990701E+00
  56   -0.283737E-05    0.160680E+03  0.176585E-07 0.100000E-04    0.991192E+00
  57    0.124535E-05    0.153887E+03 -0.809262E-08 0.100000E-04    0.991974E+00
  58    0.601148E-05    0.151066E+03 -0.397938E-07 0.100000E-04    0.991040E+00
  59   -0.375237E-05    0.148392E+03  0.252868E-07 0.100000E-04    0.989392E+00
  60   -0.604596E-05    0.142438E+03  0.424462E-07 0.100000E-04    0.989338E+00
  61   -0.459694E-05    0.136890E+03  0.335812E-07 0.100000E-04    0.989656E+00
  62    0.147518E-04    0.134585E+03 -0.109609E-06 0.100000E-04    0.991408E+00
  63   -0.932893E-05    0.131029E+03  0.711972E-07 0.100000E-04    0.990907E+00
  64   -0.160476E-05    0.127707E+03  0.125660E-07 0.100000E-04    0.985017E+00
  65    0.164970E-05    0.125625E+03 -0.131320E-07 0.100000E-04    0.999941E+00
  66   -0.988243E-05    0.124366E+03  0.794625E-07 0.100000E-04    0.990148E+00
  67    0.786038E-06    0.119423E+03 -0.658195E-08 0.100000E-04    0.993404E+00
  68    0.257710E-05    0.117983E+03 -0.218429E-07 0.100000E-04    0.988962E+00
  69   -0.749421E-06    0.116282E+03  0.644486E-08 0.100000E-04    0.986459E+00
  70   -0.386490E-05    0.112827E+03  0.342552E-07 0.100000E-04    0.983189E+00
  71   -0.183559E-06    0.110385E+03  0.166290E-08 0.100000E-04    0.975730E+00
  72   -0.117616E-04    0.105675E+03  0.111300E-06 0.100000E-04    0.988991E+00
  73   -0.351903E-05    0.102831E+03  0.342216E-07 0.100000E-04    0.981225E+00
  74    0.146151E-04    0.100626E+03 -0.145241E-06 0.100000E-04    0.990405E+00
  75   -0.801947E-05    0.972281E+02  0.824810E-07 0.100000E-04    0.985832E+00
  76   -0.113966E-04    0.950191E+02  0.119941E-06 0.100000E-04    0.989131E+00
  77    0.141285E-06    0.914881E+02 -0.154430E-08 0.100000E-04    0.970388E+00
  78   -0.207018E-04    0.904525E+02  0.228869E-06 0.100000E-04    0.988642E+00
  79   -0.236390E-04    0.878551E+02  0.269068E-06 0.100000E-04    0.992115E+00
  80   -0.480915E-05    0.844415E+02  0.569524E-07 0.100000E-04    0.986501E+00
  81    0.627893E-05    0.808995E+02 -0.776140E-07 0.100000E-04    0.988721E+00
  82    0.113704E-04    0.790160E+02 -0.143900E-06 0.100000E-04    0.988624E+00
  83   -0.842475E-05    0.787355E+02  0.107001E-06 0.100000E-04    0.996974E+00
  84   -0.741179E-05    0.731024E+02  0.101389E-06 0.100000E-04    0.987573E+00
  85   -0.157797E-04    0.712501E+02  0.221469E-06 0.100000E-04    0.990738E+00
  86   -0.202850E-04    0.696304E+02  0.291325E-06 0.100000E-04    0.990491E+00
  87   -0.628725E-05    0.675757E+02  0.930401E-07 0.100000E-04    0.999834E+00
  88   -0.855330E-06    0.636283E+02  0.134426E-07 0.100000E-04    0.981967E+00
  89    0.175310E-04    0.623660E+02 -0.281099E-06 0.100000E-04    0.990131E+00
  90   -0.800120E-05    0.596611E+02  0.134111E-06 0.100000E-04    0.988860E+00
  91   -0.133079E-05    0.584899E+02  0.227526E-07 0.100000E-04    0.993638E+00
  92    0.175100E-04    0.558307E+02 -0.313626E-06 0.100000E-04    0.987047E+00
  93   -0.259425E-04    0.536807E+02  0.483275E-06 0.100000E-04    0.992036E+00
  94    0.103397E-04    0.523494E+02 -0.197513E-06 0.100000E-04    0.987196E+00
  95   -0.252271E-04    0.502911E+02  0.501623E-06 0.100000E-04    0.992891E+00
  96    0.691547E-05    0.480363E+02 -0.143963E-06 0.100000E-04    0.993022E+00
  97    0.139263E-04    0.437733E+02 -0.318145E-06 0.100000E-04    0.989774E+00
  98   -0.103655E-04    0.397323E+02  0.260882E-06 0.100000E-04    0.991268E+00
  99   -0.158600E-04    0.377054E+02  0.420629E-06 0.100000E-04    0.983695E+00
 100   -0.246819E-04    0.361307E+02  0.683128E-06 0.100000E-04    0.992302E+00
 101   -0.674838E-04    0.345854E+02  0.195122E-05 0.100000E-04    0.990345E+00
 102    0.281484E-04    0.298052E+02 -0.944415E-06 0.100000E-04    0.991699E+00
 103    0.222850E-04    0.290181E+02 -0.767969E-06 0.100000E-04    0.990495E+00
 104    0.310493E-04    0.287020E+02 -0.108178E-05 0.100000E-04    0.992485E+00
 105    0.111890E-04    0.235870E+02 -0.474370E-06 0.100000E-04    0.982181E+00
 106    0.419086E-05    0.218759E+02 -0.191574E-06 0.100000E-04    0.997539E+00
 107   -0.661655E-04    0.196093E+02  0.337419E-05 0.100000E-04    0.989357E+00
 108   -0.789768E-04    0.165341E+02  0.477659E-05 0.100000E-04    0.996003E+00
 109    0.525353E-04    0.139183E+02 -0.377455E-05 0.100000E-04    0.993031E+00
 110   -0.266178E-04    0.127282E+02  0.209125E-05 0.100000E-04    0.973638E+00
 111    0.780197E-04    0.117570E+02 -0.663600E-05 0.100000E-04    0.989174E+00
 112    0.279476E-04    0.936233E+01 -0.298512E-05 0.100000E-04    0.996915E+00
 113    0.145706E-02    0.756273E+01 -0.100000E-04 0.100000E-04    0.236685E+00
 114    0.176453E+00    0.477866E+01  0.400000E-03 0.400000E-03    0.810479E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3687498468E-01

 Beginning of optimization cycle   73.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3997189560
 potential> RMS force:                                               0.0167058966   |gradient|=.1783701652    
 Eigenvalues of the Hessian matrix:
   717.89886    670.10977    622.73400    602.87095    589.61716    563.47165 
   560.55679    477.71197    470.90224    463.70467    441.60584    432.00618 
   420.15066    405.39687    398.47108    388.24542    366.93155    364.24280 
   352.96188    344.64816    323.98431    323.68109    318.89647    316.17164 
   305.39679    287.28946    280.03409    271.72589    265.80624    261.92980 
   257.65533    253.37010    244.45003    239.75853    233.97146    228.42216 
   225.19369    212.90896    211.12210    210.00785    202.85535    198.70803 
   195.26620    191.66908    186.50543    178.57545    170.67622    168.14407 
   165.78409    160.67806    153.88040    151.06528    148.39914    142.44294 
   136.89094    134.58956    131.02887    127.70599    125.62826    124.37386 
   119.42304    117.98217    116.28600    112.82001    110.37842    105.67074 
   102.83030    100.62217     97.22832     95.01998     91.48154     90.45764 
    87.86615     84.44228     80.89877     79.01826     78.73487     73.09958 
    71.25320     69.62193     67.57948     63.62377     62.36227     59.66114 
    58.49298     55.83026     53.67963     52.34769     50.29164     48.03559 
    43.76883     39.73544     37.69753     36.13312     34.59139     29.79554 
    29.01695     28.70248     23.58148     21.87669     19.60759     16.53809 
    13.91615     12.72323     11.74983      9.36427      7.56392      4.78025 
overlap for current and previous eigenvector    109 is         0.9999943892
overlap for current and previous eigenvector    110 is        -0.9999895585
overlap for current and previous eigenvector    111 is        -0.9999870644
overlap for current and previous eigenvector    112 is        -0.9999996323
overlap for current and previous eigenvector    113 is        -0.9999993010
overlap for current and previous eigenvector    114 is        -0.9999991890
J1,K1,R1,R2,RAT=   7   7    0.1576195397E-01     1.984073289        0.9840732893    
FOB,PFOB,DIAG,PSTEP=    0.2436650517E-06    0.2475675210E-06     717.8988584       -0.3448785494E-09
J1,K1,R1,R2,RAT=   8   8   -0.2895435348E-01     2.028896697        0.9710456465    
FOB,PFOB,DIAG,PSTEP=   -0.3895413225E-06   -0.3785794824E-06     670.1097679        0.5649677332E-09
J1,K1,R1,R2,RAT=   9   9   -0.7942578669E-02     2.007861176        0.9920574213    
FOB,PFOB,DIAG,PSTEP=    0.5266690995E-06    0.5225187840E-06     622.7339996       -0.8391063479E-09
J1,K1,R1,R2,RAT=  10  10   -0.4450856363E-02     2.004384279        0.9955491436    
FOB,PFOB,DIAG,PSTEP=    0.1215160294E-05    0.1209775577E-05     602.8709466       -0.2006757593E-08
J1,K1,R1,R2,RAT=  11  11   -0.2395270162E-02     2.002383676        0.9976047298    
FOB,PFOB,DIAG,PSTEP=   -0.9017673483E-06   -0.8996125208E-06     589.6171629        0.1525765857E-08
J1,K1,R1,R2,RAT= 109 109   -0.6860438308E-02     2.007168330        0.9931395617    
FOB,PFOB,DIAG,PSTEP=    0.5289565955E-04    0.5253529984E-04     13.91614743       -0.3774551380E-05
J1,K1,R1,R2,RAT= 110 110     2.026831896       -0.2605675418E-01    0.9739432458    
FOB,PFOB,DIAG,PSTEP=    0.2731106684E-04   -0.2661776303E-04     12.72322926        0.2091249810E-05
J1,K1,R1,R2,RAT= 111 111     2.011885942       -0.1065790584E-01    0.9893420942    
FOB,PFOB,DIAG,PSTEP=   -0.7885074480E-04    0.7801972815E-04     11.74983249       -0.6635996901E-05
J1,K1,R1,R2,RAT= 112 112     1.996670384        0.2913902641E-02    0.9966703845    
FOB,PFOB,DIAG,PSTEP=   -0.2786619312E-04    0.2794764677E-04     9.364272998       -0.2985117700E-05
J1,K1,R1,R2,RAT= 113 113     39.30247648       -0.7758414620        0.2241585380    
FOB,PFOB,DIAG,PSTEP=   -0.1515746773E-02    0.1457062714E-02     7.563924090       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -185.5640070        0.9991721347        0.8278652956E-03
FOB,PFOB,DIAG,PSTEP=   -0.1783636249        0.1764531089         4.780247253        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00000      0.00001     -0.00001      0.00000      0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
     0.00000      0.00001      0.00001     -0.00001      0.00000     -0.00002 
     0.00002     -0.00000      0.00001      0.00001      0.00001      0.00001 
    -0.00002     -0.00002     -0.00001     -0.00000     -0.00002      0.00001 
    -0.00000      0.00002     -0.00003     -0.00001      0.00003     -0.00001 
    -0.00001      0.00001     -0.00002      0.00002      0.00007     -0.00003 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00007     -0.00008 
     0.00005      0.00003     -0.00008     -0.00003     -0.00152     -0.17836 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4357805898
 Log product of positive Hessian eigenvalues =          520.4733649070
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7802472526
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000042
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000104
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000018
 Unscaled step for mode   17=       -0.0000000017
 Unscaled step for mode   18=       -0.0000000061
 Unscaled step for mode   19=       -0.0000000120
 Unscaled step for mode   20=       -0.0000000169
 Unscaled step for mode   21=       -0.0000000088
 Unscaled step for mode   22=        0.0000000018
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000172
 Unscaled step for mode   26=        0.0000000256
 Unscaled step for mode   27=        0.0000000169
 Unscaled step for mode   28=       -0.0000000143
 Unscaled step for mode   29=        0.0000000153
 Unscaled step for mode   30=        0.0000000118
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=       -0.0000000006
 Unscaled step for mode   33=       -0.0000000111
 Unscaled step for mode   34=       -0.0000000050
 Unscaled step for mode   35=       -0.0000000341
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000148
 Unscaled step for mode   38=        0.0000000088
 Unscaled step for mode   39=        0.0000000270
 Unscaled step for mode   40=       -0.0000000092
 Unscaled step for mode   41=       -0.0000000129
 Unscaled step for mode   42=        0.0000000064
 Unscaled step for mode   43=       -0.0000000056
 Unscaled step for mode   44=        0.0000000034
 Unscaled step for mode   45=       -0.0000000144
 Unscaled step for mode   46=        0.0000000139
 Unscaled step for mode   47=        0.0000000453
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000240
 Unscaled step for mode   50=        0.0000000207
 Unscaled step for mode   51=        0.0000000196
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000239
 Unscaled step for mode   54=       -0.0000000084
 Unscaled step for mode   55=       -0.0000000464
 Unscaled step for mode   56=        0.0000000178
 Unscaled step for mode   57=       -0.0000000082
 Unscaled step for mode   58=        0.0000000401
 Unscaled step for mode   59=       -0.0000000256
 Unscaled step for mode   60=        0.0000000429
 Unscaled step for mode   61=        0.0000000339
 Unscaled step for mode   62=       -0.0000001105
 Unscaled step for mode   63=        0.0000000718
 Unscaled step for mode   64=       -0.0000000128
 Unscaled step for mode   65=       -0.0000000131
 Unscaled step for mode   66=       -0.0000000802
 Unscaled step for mode   67=        0.0000000066
 Unscaled step for mode   68=        0.0000000221
 Unscaled step for mode   69=       -0.0000000064
 Unscaled step for mode   70=       -0.0000000348
 Unscaled step for mode   71=        0.0000000016
 Unscaled step for mode   72=       -0.0000001125
 Unscaled step for mode   73=       -0.0000000349
 Unscaled step for mode   74=       -0.0000001466
 Unscaled step for mode   75=       -0.0000000836
 Unscaled step for mode   76=        0.0000001212
 Unscaled step for mode   77=       -0.0000000016
 Unscaled step for mode   78=        0.0000002314
 Unscaled step for mode   79=       -0.0000002711
 Unscaled step for mode   80=        0.0000000577
 Unscaled step for mode   81=       -0.0000000785
 Unscaled step for mode   82=       -0.0000001455
 Unscaled step for mode   83=       -0.0000001067
 Unscaled step for mode   84=       -0.0000001026
 Unscaled step for mode   85=        0.0000002235
 Unscaled step for mode   86=        0.0000002941
 Unscaled step for mode   87=        0.0000000930
 Unscaled step for mode   88=        0.0000000132
 Unscaled step for mode   89=        0.0000002839
 Unscaled step for mode   90=       -0.0000001356
 Unscaled step for mode   91=        0.0000000226
 Unscaled step for mode   92=       -0.0000003177
 Unscaled step for mode   93=        0.0000004871
 Unscaled step for mode   94=        0.0000002000
 Unscaled step for mode   95=       -0.0000005051
 Unscaled step for mode   96=        0.0000001450
 Unscaled step for mode   97=        0.0000003214
 Unscaled step for mode   98=       -0.0000002631
 Unscaled step for mode   99=        0.0000004275
 Unscaled step for mode  100=       -0.0000006883
 Unscaled step for mode  101=       -0.0000019695
 Unscaled step for mode  102=        0.0000009525
 Unscaled step for mode  103=        0.0000007752
 Unscaled step for mode  104=        0.0000010898
 Unscaled step for mode  105=        0.0000004828
 Unscaled step for mode  106=       -0.0000001911
 Unscaled step for mode  107=        0.0000034099
 Unscaled step for mode  108=        0.0000047938
 Unscaled step for mode  109=       -0.0000038010
 Unscaled step for mode  110=       -0.0000021466
 Unscaled step for mode  111=        0.0000067108
 Unscaled step for mode  112=        0.0000029758
 Unscaled step for mode  113=        0.0002003916
 Unscaled step for mode  114=       -0.0372608321
 Largest modulus ratio of non-zero e/values=           150.1802774    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.494396E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.829523E-15    0.100774E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.361039E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.255423E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.146801E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.802147E-15    0.973479E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.243665E-06    0.717899E+03 -0.339414E-09 0.100000E-04    0.984073E+00
   8   -0.389541E-06    0.670110E+03  0.581310E-09 0.100000E-04    0.971046E+00
   9    0.526669E-06    0.622734E+03 -0.845737E-09 0.100000E-04    0.992057E+00
  10    0.121516E-05    0.602871E+03 -0.201562E-08 0.100000E-04    0.995549E+00
  11   -0.901767E-06    0.589617E+03  0.152941E-08 0.100000E-04    0.997605E+00
  12    0.238892E-05    0.563472E+03 -0.423965E-08 0.100000E-04    0.994995E+00
  13    0.208507E-05    0.560557E+03 -0.371965E-08 0.100000E-04    0.999006E+00
  14   -0.495415E-05    0.477712E+03  0.103706E-07 0.100000E-04    0.995852E+00
  15    0.151936E-05    0.470902E+03 -0.322649E-08 0.100000E-04    0.996926E+00
  16    0.829787E-06    0.463705E+03 -0.178947E-08 0.100000E-04    0.985483E+00
  17    0.729524E-06    0.441606E+03 -0.165198E-08 0.100000E-04    0.983821E+00
  18    0.262280E-05    0.432006E+03 -0.607121E-08 0.100000E-04    0.993640E+00
  19    0.504384E-05    0.420151E+03 -0.120048E-07 0.100000E-04    0.991481E+00
  20    0.683947E-05    0.405397E+03 -0.168710E-07 0.100000E-04    0.995029E+00
  21    0.349955E-05    0.398471E+03 -0.878245E-08 0.100000E-04    0.991045E+00
  22   -0.705031E-06    0.388245E+03  0.181594E-08 0.100000E-04    0.984944E+00
  23   -0.197858E-05    0.366932E+03  0.539223E-08 0.100000E-04    0.999339E+00
  24    0.178070E-05    0.364243E+03 -0.488877E-08 0.100000E-04    0.996660E+00
  25   -0.607609E-05    0.352962E+03  0.172146E-07 0.100000E-04    0.991279E+00
  26   -0.883826E-05    0.344648E+03  0.256443E-07 0.100000E-04    0.989997E+00
  27   -0.547643E-05    0.323984E+03  0.169034E-07 0.100000E-04    0.995357E+00
  28    0.462303E-05    0.323681E+03 -0.142827E-07 0.100000E-04    0.977815E+00
  29   -0.487740E-05    0.318896E+03  0.152946E-07 0.100000E-04    0.985515E+00
  30   -0.373842E-05    0.316172E+03  0.118240E-07 0.100000E-04    0.989513E+00
  31   -0.108991E-05    0.305397E+03  0.356883E-08 0.100000E-04    0.980242E+00
  32    0.169735E-06    0.287289E+03 -0.590814E-09 0.100000E-04    0.944533E+00
  33    0.310646E-05    0.280034E+03 -0.110932E-07 0.100000E-04    0.990697E+00
  34    0.136381E-05    0.271726E+03 -0.501908E-08 0.100000E-04    0.990129E+00
  35    0.907565E-05    0.265806E+03 -0.341439E-07 0.100000E-04    0.990544E+00
  36    0.123707E-05    0.261930E+03 -0.472289E-08 0.100000E-04    0.983255E+00
  37   -0.380591E-05    0.257655E+03  0.147713E-07 0.100000E-04    0.989547E+00
  38   -0.224051E-05    0.253370E+03  0.884283E-08 0.100000E-04    0.992480E+00
  39   -0.659770E-05    0.244450E+03  0.269900E-07 0.100000E-04    0.989982E+00
  40    0.220110E-05    0.239759E+03 -0.918048E-08 0.100000E-04    0.978376E+00
  41    0.301288E-05    0.233971E+03 -0.128771E-07 0.100000E-04    0.982316E+00
  42   -0.146290E-05    0.228422E+03  0.640437E-08 0.100000E-04    0.984332E+00
  43    0.126216E-05    0.225194E+03 -0.560475E-08 0.100000E-04    0.987330E+00
  44   -0.714764E-06    0.212909E+03  0.335713E-08 0.100000E-04    0.949272E+00
  45    0.303781E-05    0.211122E+03 -0.143889E-07 0.100000E-04    0.993097E+00
  46   -0.292781E-05    0.210008E+03  0.139414E-07 0.100000E-04    0.980303E+00
  47   -0.918732E-05    0.202855E+03  0.452900E-07 0.100000E-04    0.989145E+00
  48   -0.117680E-05    0.198708E+03  0.592224E-08 0.100000E-04    0.996612E+00
  49    0.468083E-05    0.195266E+03 -0.239715E-07 0.100000E-04    0.987487E+00
  50   -0.397549E-05    0.191669E+03  0.207414E-07 0.100000E-04    0.990744E+00
  51   -0.366283E-05    0.186505E+03  0.196393E-07 0.100000E-04    0.990107E+00
  52    0.460681E-06    0.178575E+03 -0.257976E-08 0.100000E-04    0.999302E+00
  53   -0.408482E-05    0.170676E+03  0.239331E-07 0.100000E-04    0.991346E+00
  54    0.140971E-05    0.168144E+03 -0.838391E-08 0.100000E-04    0.980395E+00
  55    0.769926E-05    0.165784E+03 -0.464415E-07 0.100000E-04    0.990789E+00
  56   -0.286210E-05    0.160678E+03  0.178127E-07 0.100000E-04    0.991283E+00
  57    0.125532E-05    0.153880E+03 -0.815773E-08 0.100000E-04    0.991996E+00
  58   -0.606493E-05    0.151065E+03  0.401477E-07 0.100000E-04    0.991110E+00
  59    0.379172E-05    0.148399E+03 -0.255509E-07 0.100000E-04    0.989512E+00
  60   -0.610981E-05    0.142443E+03  0.428930E-07 0.100000E-04    0.989439E+00
  61   -0.464415E-05    0.136891E+03  0.339259E-07 0.100000E-04    0.989731E+00
  62    0.148771E-04    0.134590E+03 -0.110537E-06 0.100000E-04    0.991500E+00
  63   -0.941292E-05    0.131029E+03  0.718385E-07 0.100000E-04    0.990997E+00
  64    0.162872E-05    0.127706E+03 -0.127537E-07 0.100000E-04    0.985063E+00
  65    0.164927E-05    0.125628E+03 -0.131282E-07 0.100000E-04    0.999686E+00
  66    0.997890E-05    0.124374E+03 -0.802331E-07 0.100000E-04    0.990240E+00
  67   -0.791213E-06    0.119423E+03  0.662530E-08 0.100000E-04    0.993416E+00
  68   -0.260531E-05    0.117982E+03  0.220822E-07 0.100000E-04    0.989053E+00
  69    0.738922E-06    0.116286E+03 -0.635435E-08 0.100000E-04    0.985920E+00
  70    0.392918E-05    0.112820E+03 -0.348270E-07 0.100000E-04    0.983367E+00
  71   -0.178815E-06    0.110378E+03  0.162002E-08 0.100000E-04    0.974151E+00
  72    0.118900E-04    0.105671E+03 -0.112519E-06 0.100000E-04    0.989080E+00
  73    0.358445E-05    0.102830E+03 -0.348580E-07 0.100000E-04    0.981409E+00
  74    0.147537E-04    0.100622E+03 -0.146625E-06 0.100000E-04    0.990513E+00
  75    0.813232E-05    0.972283E+02 -0.836415E-07 0.100000E-04    0.985928E+00
  76   -0.115193E-04    0.950200E+02  0.121231E-06 0.100000E-04    0.989234E+00
  77    0.145482E-06    0.914815E+02 -0.159029E-08 0.100000E-04    0.970295E+00
  78   -0.209349E-04    0.904576E+02  0.231433E-06 0.100000E-04    0.988742E+00
  79    0.238225E-04    0.878662E+02 -0.271122E-06 0.100000E-04    0.992240E+00
  80   -0.487350E-05    0.844423E+02  0.577140E-07 0.100000E-04    0.986618E+00
  81    0.634898E-05    0.808988E+02 -0.784806E-07 0.100000E-04    0.988843E+00
  82    0.114961E-04    0.790183E+02 -0.145486E-06 0.100000E-04    0.988946E+00
  83    0.839924E-05    0.787349E+02 -0.106677E-06 0.100000E-04    0.996971E+00
  84    0.750318E-05    0.730996E+02 -0.102643E-06 0.100000E-04    0.987670E+00
  85   -0.159244E-04    0.712532E+02  0.223491E-06 0.100000E-04    0.990829E+00
  86   -0.204755E-04    0.696219E+02  0.294096E-06 0.100000E-04    0.990609E+00
  87   -0.628679E-05    0.675795E+02  0.930281E-07 0.100000E-04    0.999815E+00
  88   -0.838827E-06    0.636238E+02  0.131842E-07 0.100000E-04    0.980705E+00
  89   -0.177023E-04    0.623623E+02  0.283862E-06 0.100000E-04    0.990231E+00
  90    0.808939E-05    0.596611E+02 -0.135589E-06 0.100000E-04    0.988977E+00
  91   -0.132207E-05    0.584930E+02  0.226022E-07 0.100000E-04    0.993338E+00
  92    0.177346E-04    0.558303E+02 -0.317652E-06 0.100000E-04    0.987172E+00
  93   -0.261459E-04    0.536796E+02  0.487073E-06 0.100000E-04    0.992160E+00
  94   -0.104709E-04    0.523477E+02  0.200025E-06 0.100000E-04    0.987313E+00
  95    0.254035E-04    0.502916E+02 -0.505124E-06 0.100000E-04    0.993008E+00
  96   -0.696306E-05    0.480356E+02  0.144956E-06 0.100000E-04    0.993118E+00
  97   -0.140671E-04    0.437688E+02  0.321395E-06 0.100000E-04    0.989885E+00
  98    0.104551E-04    0.397354E+02 -0.263117E-06 0.100000E-04    0.991355E+00
  99   -0.161169E-04    0.376975E+02  0.427533E-06 0.100000E-04    0.983795E+00
 100    0.248689E-04    0.361331E+02 -0.688258E-06 0.100000E-04    0.992422E+00
 101    0.681265E-04    0.345914E+02 -0.196947E-05 0.100000E-04    0.990477E+00
 102   -0.283800E-04    0.297955E+02  0.952491E-06 0.100000E-04    0.991772E+00
 103   -0.224941E-04    0.290169E+02  0.775207E-06 0.100000E-04    0.990617E+00
 104   -0.312789E-04    0.287025E+02  0.108976E-05 0.100000E-04    0.992606E+00
 105   -0.113856E-04    0.235815E+02  0.482821E-06 0.100000E-04    0.982421E+00
 106    0.417988E-05    0.218767E+02 -0.191066E-06 0.100000E-04    0.997307E+00
 107   -0.668603E-04    0.196076E+02  0.340992E-05 0.100000E-04    0.989499E+00
 108   -0.792810E-04    0.165381E+02  0.479384E-05 0.100000E-04    0.996150E+00
 109    0.528957E-04    0.139161E+02 -0.380103E-05 0.100000E-04    0.993140E+00
 110    0.273111E-04    0.127232E+02 -0.214655E-05 0.100000E-04    0.973943E+00
 111   -0.788507E-04    0.117498E+02  0.671080E-05 0.100000E-04    0.989342E+00
 112   -0.278662E-04    0.936427E+01  0.297580E-05 0.100000E-04    0.996670E+00
 113   -0.151575E-02    0.756392E+01  0.100000E-04 0.100000E-04    0.224159E+00
 114   -0.178364E+00    0.478025E+01 -0.400000E-03 0.400000E-03    0.827865E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3726083210E-01

 Beginning of optimization cycle   74.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3996472438
 potential> RMS force:                                               0.0168849291   |gradient|=.1802817090    
 Eigenvalues of the Hessian matrix:
   717.95801    670.12904    622.75924    602.89087    589.62048    563.49435 
   560.59468    477.72653    470.88020    463.69237    441.60218    431.99505 
   420.15826    405.40751    398.46762    388.25079    366.93188    364.23223 
   352.95127    344.60756    323.98899    323.65264    318.89016    316.19140 
   305.39556    287.29059    280.03096    271.71844    265.80447    261.93618 
   257.65568    253.37064    244.43456    239.74808    233.98086    228.42499 
   225.17535    212.90243    211.12146    210.00411    202.85710    198.70287 
   195.26940    191.66754    186.50218    178.56061    170.67650    168.14385 
   165.78276    160.67567    153.87395    151.06476    148.40617    142.44770 
   136.89164    134.59364    131.02835    127.70535    125.63172    124.38175 
   119.42283    117.98099    116.29008    112.81343    110.37191    105.66680 
   102.82984    100.61793     97.22849     95.02084     91.47495     90.46275 
    87.87723     84.44309     80.89807     79.02059     78.73417     73.09673 
    71.25631     69.61347     67.58328     63.61932     62.35851     59.66116 
    58.49609     55.82981     53.67857     52.34595     50.29219     48.03492 
    43.76436     39.73854     37.68964     36.13551     34.59744     29.78595 
    29.01575     28.70298     23.57593     21.87749     19.60594     16.54201 
    13.91403     12.71833     11.74254      9.36622      7.56510      4.78179 
overlap for current and previous eigenvector    109 is        -0.9999944587
overlap for current and previous eigenvector    110 is         0.9999895714
overlap for current and previous eigenvector    111 is        -0.9999870361
overlap for current and previous eigenvector    112 is        -0.9999996312
overlap for current and previous eigenvector    113 is        -0.9999993007
overlap for current and previous eigenvector    114 is        -0.9999991930
J1,K1,R1,R2,RAT=   7   7    0.1642450330E-01     1.983410717        0.9834107170    
FOB,PFOB,DIAG,PSTEP=    0.2396626445E-06    0.2436650517E-06     717.9580109       -0.3394141790E-09
J1,K1,R1,R2,RAT=   8   8   -0.2833429378E-01     2.028276788        0.9716657062    
FOB,PFOB,DIAG,PSTEP=   -0.4005790182E-06   -0.3895413225E-06     670.1290360        0.5813097215E-09
J1,K1,R1,R2,RAT=   9   9   -0.7826462384E-02     2.007745404        0.9921735376    
FOB,PFOB,DIAG,PSTEP=    0.5307912224E-06    0.5266690995E-06     622.7592394       -0.8457368633E-09
J1,K1,R1,R2,RAT=  10  10   -0.4394712816E-02     2.004328610        0.9956052872    
FOB,PFOB,DIAG,PSTEP=    0.1220500751E-05    0.1215160294E-05     602.8908731       -0.2015622581E-08
J1,K1,R1,R2,RAT=  11  11   -0.2359551240E-02     2.002348293        0.9976404488    
FOB,PFOB,DIAG,PSTEP=   -0.9038951266E-06   -0.9017673483E-06     589.6204818        0.1529411634E-08
J1,K1,R1,R2,RAT= 109 109     2.007059537       -0.6754491661E-02    0.9932455083    
FOB,PFOB,DIAG,PSTEP=   -0.5325288835E-04    0.5289565955E-04     13.91402522       -0.3801027534E-05
J1,K1,R1,R2,RAT= 110 110   -0.2575245223E-01     2.026523622        0.9742475478    
FOB,PFOB,DIAG,PSTEP=    0.2801412269E-04    0.2731106684E-04     12.71832527       -0.2146551499E-05
J1,K1,R1,R2,RAT= 111 111     2.011734167       -0.1049256509E-01    0.9895074349    
FOB,PFOB,DIAG,PSTEP=    0.7967757808E-04   -0.7885074480E-04     11.74254271        0.6710797354E-05
J1,K1,R1,R2,RAT= 112 112     1.996426856        0.3157857575E-02    0.9964268563    
FOB,PFOB,DIAG,PSTEP=    0.2777817737E-04   -0.2786619312E-04     9.366217829        0.2975798882E-05
J1,K1,R1,R2,RAT= 113 113     40.86030782       -0.7882191377        0.2117808623    
FOB,PFOB,DIAG,PSTEP=    0.1575376338E-02   -0.1515746773E-02     7.565099911        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -187.5020097        0.9991545465        0.8454535346E-03
FOB,PFOB,DIAG,PSTEP=    0.1802747251       -0.1783636249         4.781793415       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
     0.00000      0.00002     -0.00001     -0.00000      0.00000      0.00001 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00001 
     0.00000      0.00001      0.00001      0.00001      0.00000     -0.00002 
     0.00002     -0.00000      0.00001      0.00001      0.00001      0.00001 
    -0.00002     -0.00002      0.00001     -0.00000     -0.00002      0.00001 
    -0.00000      0.00002     -0.00003     -0.00001      0.00003      0.00001 
    -0.00001      0.00001     -0.00002     -0.00003      0.00007      0.00003 
    -0.00002     -0.00003      0.00001      0.00000     -0.00007      0.00008 
    -0.00005      0.00003      0.00008      0.00003      0.00158      0.18027 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4358431620
 Log product of positive Hessian eigenvalues =          520.4721528700
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7817934148
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000043
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000104
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000018
 Unscaled step for mode   17=       -0.0000000017
 Unscaled step for mode   18=       -0.0000000061
 Unscaled step for mode   19=       -0.0000000121
 Unscaled step for mode   20=       -0.0000000170
 Unscaled step for mode   21=       -0.0000000089
 Unscaled step for mode   22=        0.0000000018
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000174
 Unscaled step for mode   26=        0.0000000259
 Unscaled step for mode   27=        0.0000000169
 Unscaled step for mode   28=       -0.0000000145
 Unscaled step for mode   29=        0.0000000155
 Unscaled step for mode   30=        0.0000000119
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=       -0.0000000006
 Unscaled step for mode   33=       -0.0000000112
 Unscaled step for mode   34=       -0.0000000051
 Unscaled step for mode   35=       -0.0000000345
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000149
 Unscaled step for mode   38=        0.0000000089
 Unscaled step for mode   39=        0.0000000273
 Unscaled step for mode   40=       -0.0000000094
 Unscaled step for mode   41=       -0.0000000131
 Unscaled step for mode   42=        0.0000000065
 Unscaled step for mode   43=       -0.0000000057
 Unscaled step for mode   44=        0.0000000035
 Unscaled step for mode   45=       -0.0000000145
 Unscaled step for mode   46=        0.0000000142
 Unscaled step for mode   47=        0.0000000458
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000243
 Unscaled step for mode   50=        0.0000000209
 Unscaled step for mode   51=        0.0000000198
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000241
 Unscaled step for mode   54=       -0.0000000085
 Unscaled step for mode   55=       -0.0000000469
 Unscaled step for mode   56=       -0.0000000180
 Unscaled step for mode   57=        0.0000000082
 Unscaled step for mode   58=        0.0000000405
 Unscaled step for mode   59=       -0.0000000258
 Unscaled step for mode   60=        0.0000000433
 Unscaled step for mode   61=       -0.0000000343
 Unscaled step for mode   62=       -0.0000001115
 Unscaled step for mode   63=        0.0000000725
 Unscaled step for mode   64=        0.0000000129
 Unscaled step for mode   65=       -0.0000000131
 Unscaled step for mode   66=       -0.0000000810
 Unscaled step for mode   67=        0.0000000067
 Unscaled step for mode   68=       -0.0000000223
 Unscaled step for mode   69=        0.0000000063
 Unscaled step for mode   70=        0.0000000354
 Unscaled step for mode   71=       -0.0000000016
 Unscaled step for mode   72=       -0.0000001137
 Unscaled step for mode   73=       -0.0000000355
 Unscaled step for mode   74=       -0.0000001480
 Unscaled step for mode   75=       -0.0000000848
 Unscaled step for mode   76=       -0.0000001225
 Unscaled step for mode   77=       -0.0000000016
 Unscaled step for mode   78=        0.0000002340
 Unscaled step for mode   79=       -0.0000002732
 Unscaled step for mode   80=        0.0000000585
 Unscaled step for mode   81=       -0.0000000793
 Unscaled step for mode   82=       -0.0000001470
 Unscaled step for mode   83=       -0.0000001064
 Unscaled step for mode   84=       -0.0000001039
 Unscaled step for mode   85=        0.0000002255
 Unscaled step for mode   86=        0.0000002969
 Unscaled step for mode   87=       -0.0000000930
 Unscaled step for mode   88=        0.0000000129
 Unscaled step for mode   89=        0.0000002866
 Unscaled step for mode   90=       -0.0000001371
 Unscaled step for mode   91=        0.0000000224
 Unscaled step for mode   92=       -0.0000003217
 Unscaled step for mode   93=        0.0000004908
 Unscaled step for mode   94=        0.0000002025
 Unscaled step for mode   95=       -0.0000005086
 Unscaled step for mode   96=       -0.0000001459
 Unscaled step for mode   97=        0.0000003246
 Unscaled step for mode   98=       -0.0000002653
 Unscaled step for mode   99=        0.0000004345
 Unscaled step for mode  100=        0.0000006933
 Unscaled step for mode  101=       -0.0000019876
 Unscaled step for mode  102=       -0.0000009606
 Unscaled step for mode  103=        0.0000007824
 Unscaled step for mode  104=        0.0000010977
 Unscaled step for mode  105=       -0.0000004913
 Unscaled step for mode  106=       -0.0000001905
 Unscaled step for mode  107=        0.0000034455
 Unscaled step for mode  108=       -0.0000048105
 Unscaled step for mode  109=        0.0000038273
 Unscaled step for mode  110=       -0.0000022027
 Unscaled step for mode  111=       -0.0000067854
 Unscaled step for mode  112=       -0.0000029658
 Unscaled step for mode  113=       -0.0002082426
 Unscaled step for mode  114=        0.0376468010
 Largest modulus ratio of non-zero e/values=           150.1440879    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.298372E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.452221E-15    0.100774E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.643366E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.274402E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.598805E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.955440E-15    0.973481E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.239663E-06    0.717958E+03 -0.333812E-09 0.100000E-04    0.983411E+00
   8   -0.400579E-06    0.670129E+03  0.597764E-09 0.100000E-04    0.971666E+00
   9    0.530791E-06    0.622759E+03 -0.852322E-09 0.100000E-04    0.992174E+00
  10    0.122050E-05    0.602891E+03 -0.202441E-08 0.100000E-04    0.995605E+00
  11   -0.903895E-06    0.589620E+03  0.153301E-08 0.100000E-04    0.997640E+00
  12    0.240077E-05    0.563494E+03 -0.426051E-08 0.100000E-04    0.995039E+00
  13    0.208304E-05    0.560595E+03 -0.371577E-08 0.100000E-04    0.998891E+00
  14   -0.497435E-05    0.477727E+03  0.104126E-07 0.100000E-04    0.995922E+00
  15    0.152396E-05    0.470880E+03 -0.323642E-08 0.100000E-04    0.996969E+00
  16    0.841760E-06    0.463692E+03 -0.181534E-08 0.100000E-04    0.985571E+00
  17    0.741216E-06    0.441602E+03 -0.167847E-08 0.100000E-04    0.983973E+00
  18    0.263933E-05    0.431995E+03 -0.610964E-08 0.100000E-04    0.993696E+00
  19    0.508649E-05    0.420158E+03 -0.121061E-07 0.100000E-04    0.991543E+00
  20    0.687303E-05    0.405408E+03 -0.169534E-07 0.100000E-04    0.995093E+00
  21    0.353058E-05    0.398468E+03 -0.886040E-08 0.100000E-04    0.991134E+00
  22   -0.694045E-06    0.388251E+03  0.178762E-08 0.100000E-04    0.984390E+00
  23   -0.197973E-05    0.366932E+03  0.539536E-08 0.100000E-04    0.999419E+00
  24    0.178649E-05    0.364232E+03 -0.490480E-08 0.100000E-04    0.996750E+00
  25   -0.612869E-05    0.352951E+03  0.173641E-07 0.100000E-04    0.991343E+00
  26   -0.892606E-05    0.344608E+03  0.259021E-07 0.100000E-04    0.990064E+00
  27   -0.546325E-05    0.323989E+03  0.168624E-07 0.100000E-04    0.997564E+00
  28    0.470657E-05    0.323653E+03 -0.145420E-07 0.100000E-04    0.981927E+00
  29   -0.494742E-05    0.318890E+03  0.155145E-07 0.100000E-04    0.985644E+00
  30   -0.377785E-05    0.316191E+03  0.119480E-07 0.100000E-04    0.989453E+00
  31   -0.111122E-05    0.305396E+03  0.363864E-08 0.100000E-04    0.980441E+00
  32    0.159596E-06    0.287291E+03 -0.555520E-09 0.100000E-04    0.940258E+00
  33    0.313514E-05    0.280031E+03 -0.111957E-07 0.100000E-04    0.990768E+00
  34    0.137725E-05    0.271718E+03 -0.506866E-08 0.100000E-04    0.990149E+00
  35    0.916074E-05    0.265804E+03 -0.344642E-07 0.100000E-04    0.990624E+00
  36    0.125772E-05    0.261936E+03 -0.480164E-08 0.100000E-04    0.983302E+00
  37   -0.384544E-05    0.257656E+03  0.149247E-07 0.100000E-04    0.989615E+00
  38   -0.225720E-05    0.253371E+03  0.890869E-08 0.100000E-04    0.992550E+00
  39   -0.666318E-05    0.244435E+03  0.272596E-07 0.100000E-04    0.990074E+00
  40    0.224821E-05    0.239748E+03 -0.937739E-08 0.100000E-04    0.978594E+00
  41    0.306576E-05    0.233981E+03 -0.131026E-07 0.100000E-04    0.982451E+00
  42   -0.148562E-05    0.228425E+03  0.650374E-08 0.100000E-04    0.984471E+00
  43    0.127810E-05    0.225175E+03 -0.567600E-08 0.100000E-04    0.987369E+00
  44   -0.749885E-06    0.212902E+03  0.352220E-08 0.100000E-04    0.950862E+00
  45    0.305813E-05    0.211121E+03 -0.144852E-07 0.100000E-04    0.993308E+00
  46   -0.298497E-05    0.210004E+03  0.142139E-07 0.100000E-04    0.980477E+00
  47   -0.928622E-05    0.202857E+03  0.457772E-07 0.100000E-04    0.989235E+00
  48   -0.117254E-05    0.198703E+03  0.590097E-08 0.100000E-04    0.996383E+00
  49    0.473896E-05    0.195269E+03 -0.242688E-07 0.100000E-04    0.987581E+00
  50   -0.401193E-05    0.191668E+03  0.209317E-07 0.100000E-04    0.990834E+00
  51   -0.369878E-05    0.186502E+03  0.198324E-07 0.100000E-04    0.990184E+00
  52    0.460920E-06    0.178561E+03 -0.258131E-08 0.100000E-04    0.999481E+00
  53   -0.411979E-05    0.170677E+03  0.241380E-07 0.100000E-04    0.991438E+00
  54    0.143709E-05    0.168144E+03 -0.854679E-08 0.100000E-04    0.980574E+00
  55    0.776951E-05    0.165783E+03 -0.468656E-07 0.100000E-04    0.990876E+00
  56    0.288680E-05    0.160676E+03 -0.179666E-07 0.100000E-04    0.991372E+00
  57   -0.126534E-05    0.153874E+03  0.822320E-08 0.100000E-04    0.992017E+00
  58   -0.611843E-05    0.151065E+03  0.405021E-07 0.100000E-04    0.991178E+00
  59    0.383105E-05    0.148406E+03 -0.258146E-07 0.100000E-04    0.989630E+00
  60   -0.617374E-05    0.142448E+03  0.433404E-07 0.100000E-04    0.989537E+00
  61    0.469150E-05    0.136892E+03 -0.342717E-07 0.100000E-04    0.989803E+00
  62    0.150023E-04    0.134594E+03 -0.111463E-06 0.100000E-04    0.991590E+00
  63   -0.949684E-05    0.131028E+03  0.724793E-07 0.100000E-04    0.991085E+00
  64   -0.165298E-05    0.127705E+03  0.129437E-07 0.100000E-04    0.985109E+00
  65    0.164842E-05    0.125632E+03 -0.131211E-07 0.100000E-04    0.999431E+00
  66    0.100754E-04    0.124382E+03 -0.810039E-07 0.100000E-04    0.990330E+00
  67   -0.796415E-06    0.119423E+03  0.666887E-08 0.100000E-04    0.993426E+00
  68    0.263359E-05    0.117981E+03 -0.223222E-07 0.100000E-04    0.989144E+00
  69   -0.728158E-06    0.116290E+03  0.626157E-08 0.100000E-04    0.985364E+00
  70   -0.399384E-05    0.112813E+03  0.354022E-07 0.100000E-04    0.983542E+00
  71    0.173890E-06    0.110372E+03 -0.157549E-08 0.100000E-04    0.972456E+00
  72    0.120188E-04    0.105667E+03 -0.113742E-06 0.100000E-04    0.989168E+00
  73    0.365044E-05    0.102830E+03 -0.354998E-07 0.100000E-04    0.981590E+00
  74    0.148921E-04    0.100618E+03 -0.148006E-06 0.100000E-04    0.990620E+00
  75    0.824600E-05    0.972285E+02 -0.848105E-07 0.100000E-04    0.986022E+00
  76    0.116422E-04    0.950208E+02 -0.122523E-06 0.100000E-04    0.989335E+00
  77    0.149819E-06    0.914749E+02 -0.163781E-08 0.100000E-04    0.970186E+00
  78   -0.211685E-04    0.904628E+02  0.234002E-06 0.100000E-04    0.988840E+00
  79    0.240044E-04    0.878772E+02 -0.273158E-06 0.100000E-04    0.992364E+00
  80   -0.493816E-05    0.844431E+02  0.584791E-07 0.100000E-04    0.986734E+00
  81    0.641906E-05    0.808981E+02 -0.793475E-07 0.100000E-04    0.988963E+00
  82    0.116195E-04    0.790206E+02 -0.147044E-06 0.100000E-04    0.989262E+00
  83    0.837388E-05    0.787342E+02 -0.106356E-06 0.100000E-04    0.996981E+00
  84    0.759499E-05    0.730967E+02 -0.103903E-06 0.100000E-04    0.987764E+00
  85   -0.160690E-04    0.712563E+02  0.225511E-06 0.100000E-04    0.990918E+00
  86   -0.206654E-04    0.696135E+02  0.296859E-06 0.100000E-04    0.990724E+00
  87    0.628482E-05    0.675833E+02 -0.929938E-07 0.100000E-04    0.999575E+00
  88   -0.821537E-06    0.636193E+02  0.129133E-07 0.100000E-04    0.979386E+00
  89   -0.178735E-04    0.623585E+02  0.286624E-06 0.100000E-04    0.990329E+00
  90    0.817763E-05    0.596612E+02 -0.137068E-06 0.100000E-04    0.989093E+00
  91   -0.131300E-05    0.584961E+02  0.224459E-07 0.100000E-04    0.993034E+00
  92    0.179599E-04    0.558298E+02 -0.321691E-06 0.100000E-04    0.987295E+00
  93   -0.263477E-04    0.536786E+02  0.490842E-06 0.100000E-04    0.992282E+00
  94   -0.106025E-04    0.523460E+02  0.202547E-06 0.100000E-04    0.987427E+00
  95    0.255782E-04    0.502922E+02 -0.508593E-06 0.100000E-04    0.993123E+00
  96    0.701033E-05    0.480349E+02 -0.145942E-06 0.100000E-04    0.993211E+00
  97   -0.142078E-04    0.437644E+02  0.324644E-06 0.100000E-04    0.989995E+00
  98    0.105446E-04    0.397385E+02 -0.265349E-06 0.100000E-04    0.991439E+00
  99   -0.163765E-04    0.376896E+02  0.434509E-06 0.100000E-04    0.983893E+00
 100   -0.250544E-04    0.361355E+02  0.693346E-06 0.100000E-04    0.992541E+00
 101    0.687666E-04    0.345974E+02 -0.198762E-05 0.100000E-04    0.990606E+00
 102    0.286114E-04    0.297859E+02 -0.960568E-06 0.100000E-04    0.991841E+00
 103   -0.227025E-04    0.290158E+02  0.782419E-06 0.100000E-04    0.990738E+00
 104   -0.315065E-04    0.287030E+02  0.109767E-05 0.100000E-04    0.992724E+00
 105    0.115830E-04    0.235759E+02 -0.491308E-06 0.100000E-04    0.982657E+00
 106    0.416797E-05    0.218775E+02 -0.190514E-06 0.100000E-04    0.997077E+00
 107   -0.675530E-04    0.196059E+02  0.344553E-05 0.100000E-04    0.989639E+00
 108    0.795748E-04    0.165420E+02 -0.481047E-05 0.100000E-04    0.996294E+00
 109   -0.532529E-04    0.139140E+02  0.382728E-05 0.100000E-04    0.993246E+00
 110    0.280141E-04    0.127183E+02 -0.220266E-05 0.100000E-04    0.974248E+00
 111    0.796776E-04    0.117425E+02 -0.678538E-05 0.100000E-04    0.989507E+00
 112    0.277782E-04    0.936622E+01 -0.296578E-05 0.100000E-04    0.996427E+00
 113    0.157538E-02    0.756510E+01 -0.100000E-04 0.100000E-04    0.211781E+00
 114    0.180275E+00    0.478179E+01  0.400000E-03 0.400000E-03    0.845454E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3764680100E-01

 Beginning of optimization cycle   75.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3995747676
 potential> RMS force:                                               0.0170640166   |gradient|=.1821938407    
 Eigenvalues of the Hessian matrix:
   718.01718    670.14825    622.78437    602.91066    589.62370    563.51701 
   560.63259    477.74112    470.85814    463.68010    441.59854    431.98393 
   420.16588    405.41815    398.46415    388.25614    366.93224    364.22167 
   352.94068    344.56697    323.99378    323.62428    318.88373    316.21109 
   305.39430    287.29175    280.02780    271.71101    265.80273    261.94260 
   257.65610    253.37122    244.41913    239.73760    233.99030    228.42781 
   225.15700    212.89599    211.12099    210.00016    202.85887    198.69773 
   195.27260    191.66603    186.49885    178.54577    170.67683    168.14359 
   165.78145    160.67325    153.86754    151.06424    148.41321    142.45244 
   136.89234    134.59774    131.02782    127.70471    125.63518    124.38963 
   119.42264    117.97983    116.29416    112.80683    110.36535    105.66287 
   102.82941    100.61369     97.22863     95.02170     91.46836     90.46790 
    87.88833     84.44391     80.89739     79.02297     78.73343     73.09388 
    71.25941     69.60501     67.58707     63.61492     62.35469     59.66117 
    58.49919     55.82938     53.67748     52.34422     50.29273     48.03426 
    43.75988     39.74164     37.68174     36.13787     34.60352     29.77636 
    29.01456     28.70348     23.57039     21.87830     19.60435     16.54590 
    13.91192     12.71345     11.73518      9.36816      7.56626      4.78330 
overlap for current and previous eigenvector    109 is         0.9999945278
overlap for current and previous eigenvector    110 is         0.9999895888
overlap for current and previous eigenvector    111 is         0.9999870139
overlap for current and previous eigenvector    112 is         0.9999996300
overlap for current and previous eigenvector    113 is         0.9999993004
overlap for current and previous eigenvector    114 is         0.9999991970
J1,K1,R1,R2,RAT=   7   7    0.1711663792E-01     1.982718560        0.9827185597    
FOB,PFOB,DIAG,PSTEP=    0.2355600877E-06    0.2396626445E-06     718.0171764       -0.3338115054E-09
J1,K1,R1,R2,RAT=   8   8   -0.2774157024E-01     2.027684216        0.9722584298    
FOB,PFOB,DIAG,PSTEP=   -0.4116920278E-06   -0.4005790182E-06     670.1482538        0.5977640076E-09
J1,K1,R1,R2,RAT=   9   9   -0.7711881282E-02     2.007631166        0.9922881187    
FOB,PFOB,DIAG,PSTEP=    0.5348847865E-06    0.5307912224E-06     622.7843734       -0.8523217141E-09
J1,K1,R1,R2,RAT=  10  10   -0.4339369468E-02     2.004273739        0.9956606305    
FOB,PFOB,DIAG,PSTEP=    0.1225797128E-05    0.1220500751E-05     602.9106577       -0.2024414044E-08
J1,K1,R1,R2,RAT=  11  11   -0.2324467174E-02     2.002313544        0.9976755328    
FOB,PFOB,DIAG,PSTEP=   -0.9059962126E-06   -0.9038951266E-06     589.6237020        0.1533011750E-08
J1,K1,R1,R2,RAT= 109 109   -0.6650835518E-02     2.006953038        0.9933491645    
FOB,PFOB,DIAG,PSTEP=   -0.5360701105E-04   -0.5325288835E-04     13.91192311        0.3827281286E-05
J1,K1,R1,R2,RAT= 110 110   -0.2544960380E-01     2.026216693        0.9745503962    
FOB,PFOB,DIAG,PSTEP=    0.2872679767E-04    0.2801412269E-04     12.71344909       -0.2202658142E-05
J1,K1,R1,R2,RAT= 111 111   -0.1032973644E-01     2.011584953        0.9896702636    
FOB,PFOB,DIAG,PSTEP=    0.8050011023E-04    0.7967757808E-04     11.73517761       -0.6785376902E-05
J1,K1,R1,R2,RAT= 112 112    0.3401702543E-02     1.996183443        0.9961834433    
FOB,PFOB,DIAG,PSTEP=    0.2768366467E-04    0.2777817737E-04     9.368161039       -0.2965783829E-05
J1,K1,R1,R2,RAT= 113 113   -0.8004469491         42.44258330        0.1995530509    
FOB,PFOB,DIAG,PSTEP=    0.1635940243E-02    0.1575376338E-02     7.566260890       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9991367648        -189.4408149        0.8632352266E-03
FOB,PFOB,DIAG,PSTEP=    0.1821863947        0.1802747251         4.783302902        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
     0.00000      0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00001 
     0.00000      0.00002      0.00001      0.00001     -0.00000     -0.00002 
    -0.00002      0.00001     -0.00001      0.00001     -0.00001     -0.00001 
    -0.00002      0.00002      0.00001     -0.00000     -0.00002      0.00001 
     0.00000     -0.00002      0.00003      0.00001      0.00003      0.00001 
    -0.00001      0.00001      0.00002      0.00003      0.00007      0.00003 
    -0.00002     -0.00003      0.00001      0.00000     -0.00007      0.00008 
    -0.00005      0.00003      0.00008      0.00003      0.00164      0.18219 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4359050186
 Log product of positive Hessian eigenvalues =          520.4709290985
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7833029023
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000043
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000105
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000018
 Unscaled step for mode   17=       -0.0000000017
 Unscaled step for mode   18=       -0.0000000061
 Unscaled step for mode   19=       -0.0000000122
 Unscaled step for mode   20=       -0.0000000170
 Unscaled step for mode   21=       -0.0000000089
 Unscaled step for mode   22=        0.0000000018
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000175
 Unscaled step for mode   26=        0.0000000262
 Unscaled step for mode   27=        0.0000000168
 Unscaled step for mode   28=       -0.0000000148
 Unscaled step for mode   29=        0.0000000157
 Unscaled step for mode   30=        0.0000000121
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=       -0.0000000005
 Unscaled step for mode   33=       -0.0000000113
 Unscaled step for mode   34=       -0.0000000051
 Unscaled step for mode   35=       -0.0000000348
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000151
 Unscaled step for mode   38=        0.0000000090
 Unscaled step for mode   39=        0.0000000275
 Unscaled step for mode   40=       -0.0000000096
 Unscaled step for mode   41=       -0.0000000133
 Unscaled step for mode   42=        0.0000000066
 Unscaled step for mode   43=       -0.0000000057
 Unscaled step for mode   44=        0.0000000037
 Unscaled step for mode   45=       -0.0000000146
 Unscaled step for mode   46=        0.0000000145
 Unscaled step for mode   47=        0.0000000463
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000246
 Unscaled step for mode   50=        0.0000000211
 Unscaled step for mode   51=        0.0000000200
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000243
 Unscaled step for mode   54=       -0.0000000087
 Unscaled step for mode   55=       -0.0000000473
 Unscaled step for mode   56=       -0.0000000181
 Unscaled step for mode   57=        0.0000000083
 Unscaled step for mode   58=        0.0000000409
 Unscaled step for mode   59=       -0.0000000261
 Unscaled step for mode   60=        0.0000000438
 Unscaled step for mode   61=       -0.0000000346
 Unscaled step for mode   62=       -0.0000001124
 Unscaled step for mode   63=        0.0000000731
 Unscaled step for mode   64=        0.0000000131
 Unscaled step for mode   65=        0.0000000131
 Unscaled step for mode   66=        0.0000000818
 Unscaled step for mode   67=        0.0000000067
 Unscaled step for mode   68=       -0.0000000226
 Unscaled step for mode   69=        0.0000000062
 Unscaled step for mode   70=        0.0000000360
 Unscaled step for mode   71=       -0.0000000015
 Unscaled step for mode   72=       -0.0000001150
 Unscaled step for mode   73=       -0.0000000361
 Unscaled step for mode   74=       -0.0000001494
 Unscaled step for mode   75=       -0.0000000860
 Unscaled step for mode   76=       -0.0000001238
 Unscaled step for mode   77=        0.0000000017
 Unscaled step for mode   78=        0.0000002366
 Unscaled step for mode   79=        0.0000002752
 Unscaled step for mode   80=       -0.0000000592
 Unscaled step for mode   81=        0.0000000802
 Unscaled step for mode   82=       -0.0000001486
 Unscaled step for mode   83=        0.0000001060
 Unscaled step for mode   84=        0.0000001052
 Unscaled step for mode   85=        0.0000002275
 Unscaled step for mode   86=       -0.0000002996
 Unscaled step for mode   87=       -0.0000000929
 Unscaled step for mode   88=        0.0000000126
 Unscaled step for mode   89=        0.0000002894
 Unscaled step for mode   90=       -0.0000001385
 Unscaled step for mode   91=       -0.0000000223
 Unscaled step for mode   92=        0.0000003257
 Unscaled step for mode   93=       -0.0000004946
 Unscaled step for mode   94=       -0.0000002051
 Unscaled step for mode   95=       -0.0000005120
 Unscaled step for mode   96=       -0.0000001469
 Unscaled step for mode   97=        0.0000003279
 Unscaled step for mode   98=       -0.0000002676
 Unscaled step for mode   99=       -0.0000004416
 Unscaled step for mode  100=       -0.0000006984
 Unscaled step for mode  101=       -0.0000020057
 Unscaled step for mode  102=       -0.0000009687
 Unscaled step for mode  103=        0.0000007896
 Unscaled step for mode  104=        0.0000011055
 Unscaled step for mode  105=       -0.0000004998
 Unscaled step for mode  106=       -0.0000001899
 Unscaled step for mode  107=        0.0000034810
 Unscaled step for mode  108=       -0.0000048265
 Unscaled step for mode  109=        0.0000038533
 Unscaled step for mode  110=       -0.0000022596
 Unscaled step for mode  111=       -0.0000068597
 Unscaled step for mode  112=       -0.0000029551
 Unscaled step for mode  113=       -0.0002162151
 Unscaled step for mode  114=        0.0380328960
 Largest modulus ratio of non-zero e/values=           150.1090755    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.407877E-15    0.101878E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.123057E-15    0.100773E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.310732E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.719910E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.294843E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.144470E-16    0.973482E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.235560E-06    0.718017E+03 -0.328070E-09 0.100000E-04    0.982719E+00
   8   -0.411692E-06    0.670148E+03  0.614330E-09 0.100000E-04    0.972258E+00
   9    0.534885E-06    0.622784E+03 -0.858860E-09 0.100000E-04    0.992288E+00
  10    0.122580E-05    0.602911E+03 -0.203313E-08 0.100000E-04    0.995661E+00
  11   -0.905996E-06    0.589624E+03  0.153657E-08 0.100000E-04    0.997676E+00
  12    0.241258E-05    0.563517E+03 -0.428129E-08 0.100000E-04    0.995082E+00
  13    0.208077E-05    0.560633E+03 -0.371147E-08 0.100000E-04    0.998774E+00
  14   -0.499430E-05    0.477741E+03  0.104540E-07 0.100000E-04    0.995990E+00
  15    0.152852E-05    0.470858E+03 -0.324624E-08 0.100000E-04    0.997012E+00
  16    0.853831E-06    0.463680E+03 -0.184142E-08 0.100000E-04    0.985658E+00
  17    0.752984E-06    0.441599E+03 -0.170513E-08 0.100000E-04    0.984123E+00
  18    0.265583E-05    0.431984E+03 -0.614797E-08 0.100000E-04    0.993751E+00
  19    0.512920E-05    0.420166E+03 -0.122076E-07 0.100000E-04    0.991604E+00
  20    0.690632E-05    0.405418E+03 -0.170351E-07 0.100000E-04    0.995156E+00
  21    0.356157E-05    0.398464E+03 -0.893825E-08 0.100000E-04    0.991222E+00
  22   -0.682831E-06    0.388256E+03  0.175871E-08 0.100000E-04    0.983815E+00
  23   -0.198072E-05    0.366932E+03  0.539806E-08 0.100000E-04    0.999499E+00
  24    0.179213E-05    0.364222E+03 -0.492044E-08 0.100000E-04    0.996840E+00
  25   -0.618135E-05    0.352941E+03  0.175138E-07 0.100000E-04    0.991407E+00
  26   -0.901414E-05    0.344567E+03  0.261608E-07 0.100000E-04    0.990131E+00
  27   -0.545921E-05    0.323994E+03  0.168497E-07 0.100000E-04    0.999233E+00
  28    0.477778E-05    0.323624E+03 -0.147634E-07 0.100000E-04    0.984868E+00
  29   -0.501780E-05    0.318884E+03  0.157355E-07 0.100000E-04    0.985773E+00
  30   -0.381794E-05    0.316211E+03  0.120740E-07 0.100000E-04    0.989388E+00
  31   -0.113274E-05    0.305394E+03  0.370911E-08 0.100000E-04    0.980636E+00
  32    0.149284E-06    0.287292E+03 -0.519625E-09 0.100000E-04    0.935382E+00
  33    0.316387E-05    0.280028E+03 -0.112984E-07 0.100000E-04    0.990837E+00
  34    0.139079E-05    0.271711E+03 -0.511864E-08 0.100000E-04    0.990168E+00
  35    0.924590E-05    0.265803E+03 -0.347848E-07 0.100000E-04    0.990704E+00
  36    0.127867E-05    0.261943E+03 -0.488147E-08 0.100000E-04    0.983349E+00
  37   -0.388511E-05    0.257656E+03  0.150787E-07 0.100000E-04    0.989683E+00
  38   -0.227386E-05    0.253371E+03  0.897442E-08 0.100000E-04    0.992619E+00
  39   -0.672871E-05    0.244419E+03  0.275294E-07 0.100000E-04    0.990165E+00
  40    0.229585E-05    0.239738E+03 -0.957652E-08 0.100000E-04    0.978808E+00
  41    0.311916E-05    0.233990E+03 -0.133303E-07 0.100000E-04    0.982583E+00
  42   -0.150848E-05    0.228428E+03  0.660377E-08 0.100000E-04    0.984608E+00
  43    0.129419E-05    0.225157E+03 -0.574794E-08 0.100000E-04    0.987407E+00
  44   -0.785622E-06    0.212896E+03  0.369017E-08 0.100000E-04    0.952342E+00
  45    0.307797E-05    0.211121E+03 -0.145792E-07 0.100000E-04    0.993513E+00
  46   -0.304271E-05    0.210000E+03  0.144891E-07 0.100000E-04    0.980656E+00
  47   -0.938537E-05    0.202859E+03  0.462655E-07 0.100000E-04    0.989323E+00
  48   -0.116803E-05    0.198698E+03  0.587842E-08 0.100000E-04    0.996153E+00
  49    0.479737E-05    0.195273E+03 -0.245676E-07 0.100000E-04    0.987675E+00
  50   -0.404834E-05    0.191666E+03  0.211219E-07 0.100000E-04    0.990923E+00
  51   -0.373481E-05    0.186499E+03  0.200259E-07 0.100000E-04    0.990259E+00
  52    0.461076E-06    0.178546E+03 -0.258239E-08 0.100000E-04    0.999662E+00
  53   -0.415469E-05    0.170677E+03  0.243424E-07 0.100000E-04    0.991529E+00
  54    0.146475E-05    0.168144E+03 -0.871132E-08 0.100000E-04    0.980751E+00
  55    0.783973E-05    0.165781E+03 -0.472896E-07 0.100000E-04    0.990961E+00
  56    0.291145E-05    0.160673E+03 -0.181203E-07 0.100000E-04    0.991459E+00
  57   -0.127542E-05    0.153868E+03  0.828905E-08 0.100000E-04    0.992035E+00
  58   -0.617201E-05    0.151064E+03  0.408568E-07 0.100000E-04    0.991244E+00
  59    0.387033E-05    0.148413E+03 -0.260781E-07 0.100000E-04    0.989747E+00
  60   -0.623774E-05    0.142452E+03  0.437882E-07 0.100000E-04    0.989634E+00
  61    0.473901E-05    0.136892E+03 -0.346185E-07 0.100000E-04    0.989874E+00
  62    0.151271E-04    0.134598E+03 -0.112387E-06 0.100000E-04    0.991679E+00
  63   -0.958068E-05    0.131028E+03  0.731194E-07 0.100000E-04    0.991172E+00
  64   -0.167752E-05    0.127705E+03  0.131359E-07 0.100000E-04    0.985153E+00
  65   -0.164716E-05    0.125635E+03  0.131106E-07 0.100000E-04    0.999175E+00
  66   -0.101719E-04    0.124390E+03  0.817749E-07 0.100000E-04    0.990418E+00
  67   -0.801645E-06    0.119423E+03  0.671267E-08 0.100000E-04    0.993433E+00
  68    0.266195E-05    0.117980E+03 -0.225627E-07 0.100000E-04    0.989233E+00
  69   -0.717133E-06    0.116294E+03  0.616655E-08 0.100000E-04    0.984790E+00
  70   -0.405889E-05    0.112807E+03  0.359809E-07 0.100000E-04    0.983713E+00
  71    0.168783E-06    0.110365E+03 -0.152931E-08 0.100000E-04    0.970630E+00
  72    0.121479E-04    0.105663E+03 -0.114969E-06 0.100000E-04    0.989254E+00
  73    0.371700E-05    0.102829E+03 -0.361472E-07 0.100000E-04    0.981768E+00
  74    0.150302E-04    0.100614E+03 -0.149385E-06 0.100000E-04    0.990724E+00
  75    0.836050E-05    0.972286E+02 -0.859881E-07 0.100000E-04    0.986114E+00
  76    0.117652E-04    0.950217E+02 -0.123816E-06 0.100000E-04    0.989434E+00
  77   -0.154304E-06    0.914684E+02  0.168697E-08 0.100000E-04    0.970062E+00
  78   -0.214027E-04    0.904679E+02  0.236578E-06 0.100000E-04    0.988937E+00
  79   -0.241848E-04    0.878883E+02  0.275176E-06 0.100000E-04    0.992487E+00
  80    0.500310E-05    0.844439E+02 -0.592476E-07 0.100000E-04    0.986848E+00
  81   -0.648915E-05    0.808974E+02  0.802146E-07 0.100000E-04    0.989081E+00
  82    0.117407E-04    0.790230E+02 -0.148573E-06 0.100000E-04    0.989571E+00
  83   -0.834880E-05    0.787334E+02  0.106039E-06 0.100000E-04    0.997005E+00
  84   -0.768721E-05    0.730939E+02  0.105169E-06 0.100000E-04    0.987857E+00
  85   -0.162136E-04    0.712594E+02  0.227529E-06 0.100000E-04    0.991006E+00
  86    0.208547E-04    0.696050E+02 -0.299615E-06 0.100000E-04    0.990838E+00
  87    0.628134E-05    0.675871E+02 -0.929369E-07 0.100000E-04    0.999333E+00
  88   -0.803467E-06    0.636149E+02  0.126302E-07 0.100000E-04    0.978003E+00
  89   -0.180446E-04    0.623547E+02  0.289386E-06 0.100000E-04    0.990425E+00
  90    0.826590E-05    0.596612E+02 -0.138547E-06 0.100000E-04    0.989206E+00
  91    0.130359E-05    0.584992E+02 -0.222839E-07 0.100000E-04    0.992728E+00
  92   -0.181859E-04    0.558294E+02  0.325741E-06 0.100000E-04    0.987416E+00
  93    0.265479E-04    0.536775E+02 -0.494582E-06 0.100000E-04    0.992401E+00
  94    0.107346E-04    0.523442E+02 -0.205077E-06 0.100000E-04    0.987540E+00
  95    0.257512E-04    0.502927E+02 -0.512027E-06 0.100000E-04    0.993236E+00
  96    0.705728E-05    0.480343E+02 -0.146922E-06 0.100000E-04    0.993303E+00
  97   -0.143484E-04    0.437599E+02  0.327890E-06 0.100000E-04    0.990102E+00
  98    0.106340E-04    0.397416E+02 -0.267578E-06 0.100000E-04    0.991521E+00
  99    0.166387E-04    0.376817E+02 -0.441558E-06 0.100000E-04    0.983988E+00
 100    0.252383E-04    0.361379E+02 -0.698390E-06 0.100000E-04    0.992659E+00
 101    0.694039E-04    0.346035E+02 -0.200569E-05 0.100000E-04    0.990734E+00
 102    0.288429E-04    0.297764E+02 -0.968650E-06 0.100000E-04    0.991908E+00
 103   -0.229100E-04    0.290146E+02  0.789605E-06 0.100000E-04    0.990857E+00
 104   -0.317320E-04    0.287035E+02  0.110551E-05 0.100000E-04    0.992841E+00
 105    0.117812E-04    0.235704E+02 -0.499831E-06 0.100000E-04    0.982887E+00
 106    0.415514E-05    0.218783E+02 -0.189921E-06 0.100000E-04    0.996849E+00
 107   -0.682435E-04    0.196044E+02  0.348104E-05 0.100000E-04    0.989777E+00
 108    0.798585E-04    0.165459E+02 -0.482648E-05 0.100000E-04    0.996436E+00
 109   -0.536070E-04    0.139119E+02  0.385331E-05 0.100000E-04    0.993349E+00
 110    0.287268E-04    0.127134E+02 -0.225956E-05 0.100000E-04    0.974550E+00
 111    0.805001E-04    0.117352E+02 -0.685973E-05 0.100000E-04    0.989670E+00
 112    0.276837E-04    0.936816E+01 -0.295508E-05 0.100000E-04    0.996183E+00
 113    0.163594E-02    0.756626E+01 -0.109000E-04 0.109000E-04    0.199553E+00
 114    0.182186E+00    0.478330E+01  0.400000E-03 0.400000E-03    0.863235E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3803289600E-01

 Beginning of optimization cycle   76.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3995015287
 potential> RMS force:                                               0.0172431523   |gradient|=.1841064859    
 Eigenvalues of the Hessian matrix:
   718.07630    670.16737    622.80936    602.93040    589.62674    563.53965 
   560.67055    477.75576    470.83606    463.66788    441.59496    431.97289 
   420.17354    405.42883    398.46069    388.26146    366.93267    364.21109 
   352.93019    344.52644    323.99866    323.59599    318.87718    316.23075 
   305.39304    287.29294    280.02461    271.70363    265.80106    261.94911 
   257.65666    253.37183    244.40376    239.72716    233.99982    228.43066 
   225.13867    212.88967    211.12074    209.99598    202.86068    198.69262 
   195.27580    191.66454    186.49543    178.53091    170.67720    168.14332 
   165.78013    160.67079    153.86118    151.06373    148.42021    142.45714 
   136.89303    134.60187    131.02726    127.70408    125.63865    124.39748 
   119.42246    117.97869    116.29823    112.80020    110.35871    105.65891 
   102.82899    100.60946     97.22871     95.02256     91.46180     90.47307 
    87.89947     84.44475     80.89674     79.02540     78.73263     73.09102 
    71.26249     69.59652     67.59081     63.61058     62.35077     59.66118 
    58.50229     55.82894     53.67634     52.34249     50.29325     48.03358 
    43.75539     39.74471     37.67383     36.14014     34.60962     29.76677 
    29.01336     28.70398     23.56487     21.87911     19.60280     16.54975 
    13.90983     12.70860     11.72772      9.37011      7.56739      4.78477 
overlap for current and previous eigenvector    109 is         0.9999945886
overlap for current and previous eigenvector    110 is         0.9999895945
overlap for current and previous eigenvector    111 is         0.9999869674
overlap for current and previous eigenvector    112 is         0.9999996292
overlap for current and previous eigenvector    113 is         0.9999993023
overlap for current and previous eigenvector    114 is         0.9999992019
J1,K1,R1,R2,RAT=   7   7    0.1068320873E-01     1.989152118        0.9891521176    
FOB,PFOB,DIAG,PSTEP=    0.2330433429E-06    0.2355600877E-06     718.0763005       -0.3280702683E-09
J1,K1,R1,R2,RAT=   8   8   -0.4673684298E-01     2.046679809        0.9532631570    
FOB,PFOB,DIAG,PSTEP=   -0.4309337622E-06   -0.4116920278E-06     670.1673651        0.6143297778E-09
J1,K1,R1,R2,RAT=   9   9   -0.1843300764E-01     2.018352771        0.9815669924    
FOB,PFOB,DIAG,PSTEP=    0.5447447175E-06    0.5348847865E-06     622.8093596       -0.8588603205E-09
J1,K1,R1,R2,RAT=  10  10   -0.1610434112E-02     2.001544950        0.9983895659    
FOB,PFOB,DIAG,PSTEP=    0.1227771258E-05    0.1225797128E-05     602.9303990       -0.2033132293E-08
J1,K1,R1,R2,RAT=  11  11   -0.8696209540E-03     2.000859320        0.9991303790    
FOB,PFOB,DIAG,PSTEP=   -0.9067840899E-06   -0.9059962126E-06     589.6267388        0.1536566813E-08
J1,K1,R1,R2,RAT= 109 109   -0.6839310012E-02     2.007139597        0.9931606900    
FOB,PFOB,DIAG,PSTEP=   -0.5397359097E-04   -0.5360701105E-04     13.90983465        0.3853314212E-05
J1,K1,R1,R2,RAT= 110 110   -0.2061829738E-01     2.021380689        0.9793817026    
FOB,PFOB,DIAG,PSTEP=    0.2931886964E-04    0.2872679767E-04     12.70860462       -0.2259559736E-05
J1,K1,R1,R2,RAT= 111 111   -0.1146487420E-01     2.012735986        0.9885351258    
FOB,PFOB,DIAG,PSTEP=    0.8142244767E-04    0.8050011023E-04     11.72772399       -0.6859726616E-05
J1,K1,R1,R2,RAT= 112 112    0.6255223871E-03     1.998959145        0.9989591453    
FOB,PFOB,DIAG,PSTEP=    0.2766634432E-04    0.2768366467E-04     9.370106893       -0.2955079931E-05
J1,K1,R1,R2,RAT= 113 113   -0.6603318335         40.32691807        0.3396681665    
FOB,PFOB,DIAG,PSTEP=    0.1690407416E-02    0.1635940243E-02     7.567389838       -0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9991224735        -191.3806408        0.8775264714E-03
FOB,PFOB,DIAG,PSTEP=    0.1840986236        0.1821863947         4.784771029        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001      0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
     0.00000      0.00002     -0.00001     -0.00000      0.00000      0.00001 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00001 
     0.00000     -0.00002     -0.00001     -0.00001     -0.00000      0.00002 
     0.00002      0.00001      0.00001      0.00001     -0.00001     -0.00001 
    -0.00002      0.00002      0.00001      0.00000      0.00002     -0.00001 
     0.00000      0.00002     -0.00003     -0.00001      0.00003      0.00001 
    -0.00001      0.00001      0.00002      0.00003      0.00007      0.00003 
    -0.00002     -0.00003      0.00001      0.00000      0.00007      0.00008 
    -0.00005      0.00003      0.00008      0.00003      0.00169      0.18410 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4359683770
 Log product of positive Hessian eigenvalues =          520.4696832596
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7847710293
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000020
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000043
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000105
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000019
 Unscaled step for mode   17=       -0.0000000017
 Unscaled step for mode   18=       -0.0000000062
 Unscaled step for mode   19=       -0.0000000123
 Unscaled step for mode   20=       -0.0000000171
 Unscaled step for mode   21=       -0.0000000090
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000177
 Unscaled step for mode   26=        0.0000000264
 Unscaled step for mode   27=        0.0000000169
 Unscaled step for mode   28=       -0.0000000150
 Unscaled step for mode   29=        0.0000000160
 Unscaled step for mode   30=        0.0000000122
 Unscaled step for mode   31=        0.0000000038
 Unscaled step for mode   32=       -0.0000000005
 Unscaled step for mode   33=       -0.0000000114
 Unscaled step for mode   34=       -0.0000000051
 Unscaled step for mode   35=       -0.0000000351
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000152
 Unscaled step for mode   38=        0.0000000091
 Unscaled step for mode   39=        0.0000000278
 Unscaled step for mode   40=       -0.0000000098
 Unscaled step for mode   41=       -0.0000000136
 Unscaled step for mode   42=        0.0000000067
 Unscaled step for mode   43=       -0.0000000058
 Unscaled step for mode   44=        0.0000000039
 Unscaled step for mode   45=       -0.0000000147
 Unscaled step for mode   46=        0.0000000148
 Unscaled step for mode   47=        0.0000000468
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000249
 Unscaled step for mode   50=        0.0000000213
 Unscaled step for mode   51=        0.0000000203
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000246
 Unscaled step for mode   54=       -0.0000000089
 Unscaled step for mode   55=       -0.0000000477
 Unscaled step for mode   56=       -0.0000000182
 Unscaled step for mode   57=        0.0000000084
 Unscaled step for mode   58=        0.0000000412
 Unscaled step for mode   59=        0.0000000264
 Unscaled step for mode   60=        0.0000000444
 Unscaled step for mode   61=       -0.0000000349
 Unscaled step for mode   62=       -0.0000001133
 Unscaled step for mode   63=        0.0000000737
 Unscaled step for mode   64=        0.0000000133
 Unscaled step for mode   65=       -0.0000000130
 Unscaled step for mode   66=       -0.0000000825
 Unscaled step for mode   67=        0.0000000068
 Unscaled step for mode   68=       -0.0000000228
 Unscaled step for mode   69=        0.0000000061
 Unscaled step for mode   70=        0.0000000366
 Unscaled step for mode   71=       -0.0000000015
 Unscaled step for mode   72=        0.0000001160
 Unscaled step for mode   73=       -0.0000000368
 Unscaled step for mode   74=        0.0000001507
 Unscaled step for mode   75=        0.0000000873
 Unscaled step for mode   76=        0.0000001251
 Unscaled step for mode   77=        0.0000000019
 Unscaled step for mode   78=       -0.0000002394
 Unscaled step for mode   79=       -0.0000002772
 Unscaled step for mode   80=       -0.0000000600
 Unscaled step for mode   81=       -0.0000000810
 Unscaled step for mode   82=       -0.0000001500
 Unscaled step for mode   83=        0.0000001059
 Unscaled step for mode   84=        0.0000001063
 Unscaled step for mode   85=        0.0000002293
 Unscaled step for mode   86=       -0.0000003024
 Unscaled step for mode   87=       -0.0000000927
 Unscaled step for mode   88=       -0.0000000126
 Unscaled step for mode   89=       -0.0000002920
 Unscaled step for mode   90=        0.0000001397
 Unscaled step for mode   91=       -0.0000000221
 Unscaled step for mode   92=       -0.0000003301
 Unscaled step for mode   93=        0.0000004979
 Unscaled step for mode   94=        0.0000002072
 Unscaled step for mode   95=       -0.0000005152
 Unscaled step for mode   96=       -0.0000001481
 Unscaled step for mode   97=        0.0000003308
 Unscaled step for mode   98=       -0.0000002698
 Unscaled step for mode   99=       -0.0000004475
 Unscaled step for mode  100=       -0.0000007027
 Unscaled step for mode  101=       -0.0000020238
 Unscaled step for mode  102=       -0.0000009746
 Unscaled step for mode  103=        0.0000007963
 Unscaled step for mode  104=        0.0000011115
 Unscaled step for mode  105=       -0.0000005095
 Unscaled step for mode  106=       -0.0000001840
 Unscaled step for mode  107=       -0.0000035120
 Unscaled step for mode  108=       -0.0000048435
 Unscaled step for mode  109=        0.0000038802
 Unscaled step for mode  110=       -0.0000023070
 Unscaled step for mode  111=       -0.0000069427
 Unscaled step for mode  112=       -0.0000029526
 Unscaled step for mode  113=       -0.0002233805
 Unscaled step for mode  114=        0.0384191609
 Largest modulus ratio of non-zero e/values=           150.0753737    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.134875E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.566387E-15    0.100773E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.267043E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.482904E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.136433E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.668885E-15    0.973483E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.233043E-06    0.718076E+03 -0.324538E-09 0.100000E-04    0.989152E+00
   8   -0.430934E-06    0.670167E+03  0.643024E-09 0.100000E-04    0.953263E+00
   9    0.544745E-06    0.622809E+03 -0.874657E-09 0.100000E-04    0.981567E+00
  10    0.122777E-05    0.602930E+03 -0.203634E-08 0.100000E-04    0.998390E+00
  11   -0.906784E-06    0.589627E+03  0.153790E-08 0.100000E-04    0.999130E+00
  12    0.242909E-05    0.563540E+03 -0.431042E-08 0.100000E-04    0.993156E+00
  13    0.207240E-05    0.560671E+03 -0.369629E-08 0.100000E-04    0.995841E+00
  14   -0.501268E-05    0.477756E+03  0.104921E-07 0.100000E-04    0.996319E+00
  15    0.153934E-05    0.470836E+03 -0.326938E-08 0.100000E-04    0.992917E+00
  16    0.861631E-06    0.463668E+03 -0.185829E-08 0.100000E-04    0.990865E+00
  17    0.758183E-06    0.441595E+03 -0.171692E-08 0.100000E-04    0.993095E+00
  18    0.267555E-05    0.431973E+03 -0.619379E-08 0.100000E-04    0.992573E+00
  19    0.517061E-05    0.420174E+03 -0.123059E-07 0.100000E-04    0.991927E+00
  20    0.693532E-05    0.405429E+03 -0.171061E-07 0.100000E-04    0.995802E+00
  21    0.359041E-05    0.398461E+03 -0.901070E-08 0.100000E-04    0.991903E+00
  22   -0.672724E-06    0.388261E+03  0.173266E-08 0.100000E-04    0.985171E+00
  23   -0.198104E-05    0.366933E+03  0.539891E-08 0.100000E-04    0.999841E+00
  24    0.179769E-05    0.364211E+03 -0.493584E-08 0.100000E-04    0.996900E+00
  25   -0.623583E-05    0.352930E+03  0.176687E-07 0.100000E-04    0.991185E+00
  26   -0.910243E-05    0.344526E+03  0.264201E-07 0.100000E-04    0.990204E+00
  27   -0.546619E-05    0.323999E+03  0.168710E-07 0.100000E-04    0.998723E+00
  28    0.484254E-05    0.323596E+03 -0.149648E-07 0.100000E-04    0.986445E+00
  29   -0.509732E-05    0.318877E+03  0.159852E-07 0.100000E-04    0.984153E+00
  30   -0.385674E-05    0.316231E+03  0.121960E-07 0.100000E-04    0.989839E+00
  31   -0.116046E-05    0.305393E+03  0.379988E-08 0.100000E-04    0.975532E+00
  32    0.141255E-06    0.287293E+03 -0.491677E-09 0.100000E-04    0.946212E+00
  33    0.319089E-05    0.280025E+03 -0.113950E-07 0.100000E-04    0.991458E+00
  34    0.139743E-05    0.271704E+03 -0.514320E-08 0.100000E-04    0.995228E+00
  35    0.933862E-05    0.265801E+03 -0.351339E-07 0.100000E-04    0.989972E+00
  36    0.129611E-05    0.261949E+03 -0.494795E-08 0.100000E-04    0.986356E+00
  37   -0.392757E-05    0.257657E+03  0.152434E-07 0.100000E-04    0.989073E+00
  38   -0.229707E-05    0.253372E+03  0.906599E-08 0.100000E-04    0.989794E+00
  39   -0.679096E-05    0.244404E+03  0.277858E-07 0.100000E-04    0.990748E+00
  40    0.234847E-05    0.239727E+03 -0.979645E-08 0.100000E-04    0.977079E+00
  41    0.317219E-05    0.234000E+03 -0.135564E-07 0.100000E-04    0.983000E+00
  42   -0.153285E-05    0.228431E+03  0.671036E-08 0.100000E-04    0.983846E+00
  43    0.131600E-05    0.225139E+03 -0.584530E-08 0.100000E-04    0.983144E+00
  44   -0.837479E-06    0.212890E+03  0.393386E-08 0.100000E-04    0.933991E+00
  45    0.310361E-05    0.211121E+03 -0.147006E-07 0.100000E-04    0.991671E+00
  46   -0.311083E-05    0.209996E+03  0.148138E-07 0.100000E-04    0.977611E+00
  47   -0.949558E-05    0.202861E+03  0.468084E-07 0.100000E-04    0.988258E+00
  48   -0.116455E-05    0.198693E+03  0.586107E-08 0.100000E-04    0.997022E+00
  49    0.486069E-05    0.195276E+03 -0.248914E-07 0.100000E-04    0.986802E+00
  50   -0.407683E-05    0.191665E+03  0.212706E-07 0.100000E-04    0.992965E+00
  51   -0.377820E-05    0.186495E+03  0.202589E-07 0.100000E-04    0.988383E+00
  52    0.461445E-06    0.178531E+03 -0.258468E-08 0.100000E-04    0.999198E+00
  53   -0.419691E-05    0.170677E+03  0.245897E-07 0.100000E-04    0.989840E+00
  54    0.149669E-05    0.168143E+03 -0.890129E-08 0.100000E-04    0.978194E+00
  55    0.791528E-05    0.165780E+03 -0.477457E-07 0.100000E-04    0.990363E+00
  56    0.292910E-05    0.160671E+03 -0.182304E-07 0.100000E-04    0.993940E+00
  57   -0.129121E-05    0.153861E+03  0.839206E-08 0.100000E-04    0.987613E+00
  58   -0.622148E-05    0.151064E+03  0.411844E-07 0.100000E-04    0.991985E+00
  59   -0.392216E-05    0.148420E+03  0.264260E-07 0.100000E-04    0.986610E+00
  60   -0.631960E-05    0.142457E+03  0.443614E-07 0.100000E-04    0.986877E+00
  61    0.478134E-05    0.136893E+03 -0.349276E-07 0.100000E-04    0.991067E+00
  62    0.152509E-04    0.134602E+03 -0.113304E-06 0.100000E-04    0.991815E+00
  63   -0.965348E-05    0.131027E+03  0.736753E-07 0.100000E-04    0.992401E+00
  64   -0.170430E-05    0.127704E+03  0.133457E-07 0.100000E-04    0.984033E+00
  65    0.163805E-05    0.125639E+03 -0.130378E-07 0.100000E-04    0.994420E+00
  66    0.102642E-04    0.124397E+03 -0.825114E-07 0.100000E-04    0.990930E+00
  67   -0.812798E-06    0.119422E+03  0.680607E-08 0.100000E-04    0.986087E+00
  68    0.268967E-05    0.117979E+03 -0.227980E-07 0.100000E-04    0.989584E+00
  69   -0.708676E-06    0.116298E+03  0.609361E-08 0.100000E-04    0.988137E+00
  70   -0.413288E-05    0.112800E+03  0.366389E-07 0.100000E-04    0.981769E+00
  71    0.167228E-06    0.110359E+03 -0.151531E-08 0.100000E-04    0.990787E+00
  72   -0.122617E-04    0.105659E+03  0.116050E-06 0.100000E-04    0.990634E+00
  73    0.378695E-05    0.102829E+03 -0.368277E-07 0.100000E-04    0.981180E+00
  74   -0.151585E-04    0.100609E+03  0.150667E-06 0.100000E-04    0.991462E+00
  75   -0.848849E-05    0.972287E+02  0.873044E-07 0.100000E-04    0.984691E+00
  76   -0.118902E-04    0.950226E+02  0.125130E-06 0.100000E-04    0.989378E+00
  77   -0.173898E-06    0.914618E+02  0.190132E-08 0.100000E-04    0.873005E+00
  78    0.216634E-04    0.904731E+02 -0.239446E-06 0.100000E-04    0.987819E+00
  79    0.243616E-04    0.878995E+02 -0.277153E-06 0.100000E-04    0.992690E+00
  80    0.507067E-05    0.844448E+02 -0.600472E-07 0.100000E-04    0.986495E+00
  81    0.655518E-05    0.808967E+02 -0.810315E-07 0.100000E-04    0.989824E+00
  82    0.118508E-04    0.790254E+02 -0.149962E-06 0.100000E-04    0.990623E+00
  83   -0.833863E-05    0.787326E+02  0.105911E-06 0.100000E-04    0.998782E+00
  84   -0.776782E-05    0.730910E+02  0.106276E-06 0.100000E-04    0.989513E+00
  85   -0.163438E-04    0.712625E+02  0.229346E-06 0.100000E-04    0.991970E+00
  86    0.210439E-04    0.695965E+02 -0.302370E-06 0.100000E-04    0.990929E+00
  87    0.626239E-05    0.675908E+02 -0.926515E-07 0.100000E-04    0.996873E+00
  88    0.800258E-06    0.636106E+02 -0.125806E-07 0.100000E-04    0.996006E+00
  89    0.182043E-04    0.623508E+02 -0.291966E-06 0.100000E-04    0.991146E+00
  90   -0.833229E-05    0.596612E+02  0.139660E-06 0.100000E-04    0.991968E+00
  91    0.129070E-05    0.585023E+02 -0.220623E-07 0.100000E-04    0.990003E+00
  92    0.184306E-04    0.558289E+02 -0.330127E-06 0.100000E-04    0.986545E+00
  93   -0.267276E-04    0.536763E+02  0.497940E-06 0.100000E-04    0.993232E+00
  94   -0.108453E-04    0.523425E+02  0.207199E-06 0.100000E-04    0.989686E+00
  95    0.259105E-04    0.502933E+02 -0.515188E-06 0.100000E-04    0.993816E+00
  96    0.711487E-05    0.480336E+02 -0.148123E-06 0.100000E-04    0.991839E+00
  97   -0.144760E-04    0.437554E+02  0.330840E-06 0.100000E-04    0.991107E+00
  98    0.107248E-04    0.397447E+02 -0.269842E-06 0.100000E-04    0.991464E+00
  99    0.168586E-04    0.376738E+02 -0.447489E-06 0.100000E-04    0.986777E+00
 100    0.253974E-04    0.361401E+02 -0.702747E-06 0.100000E-04    0.993699E+00
 101    0.700437E-04    0.346096E+02 -0.202382E-05 0.100000E-04    0.990783E+00
 102    0.290115E-04    0.297668E+02 -0.974628E-06 0.100000E-04    0.994151E+00
 103   -0.231019E-04    0.290134E+02  0.796251E-06 0.100000E-04    0.991624E+00
 104   -0.319046E-04    0.287040E+02  0.111150E-05 0.100000E-04    0.994562E+00
 105    0.120053E-04    0.235649E+02 -0.509457E-06 0.100000E-04    0.980976E+00
 106    0.402679E-05    0.218791E+02 -0.184047E-06 0.100000E-04    0.969037E+00
 107    0.688442E-04    0.196028E+02 -0.351196E-05 0.100000E-04    0.991197E+00
 108    0.801593E-04    0.165497E+02 -0.484354E-05 0.100000E-04    0.996234E+00
 109   -0.539736E-04    0.139098E+02  0.388025E-05 0.100000E-04    0.993161E+00
 110    0.293189E-04    0.127086E+02 -0.230701E-05 0.100000E-04    0.979382E+00
 111    0.814224E-04    0.117277E+02 -0.694273E-05 0.100000E-04    0.988535E+00
 112    0.276663E-04    0.937011E+01 -0.295262E-05 0.100000E-04    0.998959E+00
 113    0.169041E-02    0.756739E+01 -0.100000E-04 0.100000E-04    0.339668E+00
 114    0.184099E+00    0.478477E+01  0.400000E-03 0.400000E-03    0.877526E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3841916092E-01

 Beginning of optimization cycle   77.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3994275239
 potential> RMS force:                                               0.0174223459   |gradient|=.1860197507    
 Eigenvalues of the Hessian matrix:
   718.13549    670.18648    622.83428    602.94990    589.62976    563.56220 
   560.70851    477.77045    470.81398    463.65565    441.59138    431.96181 
   420.18117    405.43949    398.45721    388.26676    366.93309    364.20053 
   352.91966    344.48586    324.00357    323.56786    318.87052    316.25031 
   305.39173    287.29415    280.02141    271.69624    265.79941    261.95563 
   257.65721    253.37246    244.38840    239.71662    234.00936    228.43348 
   225.12030    212.88343    211.12062    209.99158    202.86248    198.68748 
   195.27900    191.66308    186.49194    178.51607    170.67764    168.14297 
   165.77881    160.66832    153.85485    151.06320    148.42724    142.46184 
   136.89371    134.60601    131.02671    127.70343    125.64212    124.40531 
   119.42231    117.97757    116.30230    112.79355    110.35205    105.65498 
   102.82860    100.60520     97.22877     95.02343     91.45523     90.47826 
    87.91062     84.44560     80.89610     79.02787     78.73178     73.08816 
    71.26560     69.58803     67.59459     63.60629     62.34681     59.66118 
    58.50540     55.82854     53.67518     52.34078     50.29377     48.03292 
    43.75090     39.74780     37.66594     36.14245     34.61578     29.75721 
    29.01216     28.70447     23.55935     21.87993     19.60135     16.55356 
    13.90777     12.70379     11.72021      9.37205      7.56852      4.78621 
overlap for current and previous eigenvector    109 is        -0.9999946656
overlap for current and previous eigenvector    110 is         0.9999896397
overlap for current and previous eigenvector    111 is         0.9999869908
overlap for current and previous eigenvector    112 is         0.9999996273
overlap for current and previous eigenvector    113 is        -0.9999992993
overlap for current and previous eigenvector    114 is        -0.9999992049
J1,K1,R1,R2,RAT=   7   7    0.2564710027E-01     1.974188054        0.9741880540    
FOB,PFOB,DIAG,PSTEP=    0.2270659642E-06    0.2330433429E-06     718.1354913       -0.3245384129E-09
J1,K1,R1,R2,RAT=   8   8   -0.7551433940E-02     2.007494384        0.9924485661    
FOB,PFOB,DIAG,PSTEP=   -0.4341880229E-06   -0.4309337622E-06     670.1864822        0.6430240932E-09
J1,K1,R1,R2,RAT=   9   9    0.3204719212E-02     1.996715243        0.9967152435    
FOB,PFOB,DIAG,PSTEP=    0.5429988937E-06    0.5447447175E-06     622.8342846       -0.8746572432E-09
J1,K1,R1,R2,RAT=  10  10   -0.6924092533E-02     2.006859405        0.9930759075    
FOB,PFOB,DIAG,PSTEP=    0.1236272735E-05    0.1227771258E-05     602.9499007       -0.2036339949E-08
J1,K1,R1,R2,RAT=  11  11   -0.3566355833E-02     2.003556095        0.9964336442    
FOB,PFOB,DIAG,PSTEP=   -0.9100180213E-06   -0.9067840899E-06     589.6297638        0.1537895130E-08
J1,K1,R1,R2,RAT= 109 109     2.006556793       -0.6260279289E-02    0.9937397207    
FOB,PFOB,DIAG,PSTEP=    0.5431143064E-04   -0.5397359097E-04     13.90777272        0.3880246771E-05
J1,K1,R1,R2,RAT= 110 110   -0.2903375890E-01     2.029792356        0.9709662411    
FOB,PFOB,DIAG,PSTEP=    0.3016978388E-04    0.2931886964E-04     12.70378609       -0.2307009346E-05
J1,K1,R1,R2,RAT= 111 111   -0.8868705678E-02     2.010151226        0.9911312943    
FOB,PFOB,DIAG,PSTEP=    0.8214409663E-04    0.8142244767E-04     11.72020829       -0.6942732258E-05
J1,K1,R1,R2,RAT= 112 112    0.6774977918E-02     1.992811042        0.9928110422    
FOB,PFOB,DIAG,PSTEP=    0.2747886665E-04    0.2766634432E-04     9.372046813       -0.2952617792E-05
J1,K1,R1,R2,RAT= 113 113     45.49416668       -0.8247445717        0.1752554283    
FOB,PFOB,DIAG,PSTEP=   -0.1752828387E-02    0.1690407416E-02     7.568521536       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -193.3211288        0.9991032539        0.8967461016E-03
FOB,PFOB,DIAG,PSTEP=   -0.1860113898        0.1840986236         4.786207482        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00001      0.00000     -0.00000      0.00001      0.00000      0.00001 
     0.00000      0.00002     -0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00001 
     0.00000      0.00002      0.00001      0.00001      0.00000      0.00002 
     0.00002     -0.00001      0.00001     -0.00001     -0.00001     -0.00001 
    -0.00002      0.00002      0.00001     -0.00000     -0.00002      0.00001 
     0.00000      0.00002     -0.00003     -0.00001      0.00003      0.00001 
     0.00001      0.00001     -0.00002      0.00003     -0.00007      0.00003 
     0.00002      0.00003      0.00001      0.00000      0.00007     -0.00008 
     0.00005      0.00003      0.00008      0.00003     -0.00175     -0.18601 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4360287316
 Log product of positive Hessian eigenvalues =          520.4684363105
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7862074822
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000043
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000105
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000019
 Unscaled step for mode   17=       -0.0000000018
 Unscaled step for mode   18=       -0.0000000062
 Unscaled step for mode   19=       -0.0000000124
 Unscaled step for mode   20=       -0.0000000172
 Unscaled step for mode   21=       -0.0000000091
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000178
 Unscaled step for mode   26=        0.0000000267
 Unscaled step for mode   27=        0.0000000169
 Unscaled step for mode   28=       -0.0000000151
 Unscaled step for mode   29=        0.0000000162
 Unscaled step for mode   30=        0.0000000123
 Unscaled step for mode   31=        0.0000000039
 Unscaled step for mode   32=       -0.0000000004
 Unscaled step for mode   33=       -0.0000000115
 Unscaled step for mode   34=       -0.0000000052
 Unscaled step for mode   35=       -0.0000000354
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000154
 Unscaled step for mode   38=        0.0000000091
 Unscaled step for mode   39=        0.0000000281
 Unscaled step for mode   40=       -0.0000000100
 Unscaled step for mode   41=       -0.0000000138
 Unscaled step for mode   42=        0.0000000068
 Unscaled step for mode   43=       -0.0000000059
 Unscaled step for mode   44=        0.0000000040
 Unscaled step for mode   45=       -0.0000000148
 Unscaled step for mode   46=        0.0000000150
 Unscaled step for mode   47=        0.0000000472
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000252
 Unscaled step for mode   50=        0.0000000215
 Unscaled step for mode   51=        0.0000000204
 Unscaled step for mode   52=        0.0000000026
 Unscaled step for mode   53=        0.0000000247
 Unscaled step for mode   54=        0.0000000090
 Unscaled step for mode   55=       -0.0000000481
 Unscaled step for mode   56=       -0.0000000184
 Unscaled step for mode   57=        0.0000000084
 Unscaled step for mode   58=       -0.0000000416
 Unscaled step for mode   59=       -0.0000000266
 Unscaled step for mode   60=       -0.0000000447
 Unscaled step for mode   61=       -0.0000000353
 Unscaled step for mode   62=       -0.0000001142
 Unscaled step for mode   63=        0.0000000744
 Unscaled step for mode   64=       -0.0000000135
 Unscaled step for mode   65=        0.0000000131
 Unscaled step for mode   66=        0.0000000833
 Unscaled step for mode   67=       -0.0000000068
 Unscaled step for mode   68=        0.0000000230
 Unscaled step for mode   69=        0.0000000060
 Unscaled step for mode   70=       -0.0000000372
 Unscaled step for mode   71=       -0.0000000014
 Unscaled step for mode   72=        0.0000001174
 Unscaled step for mode   73=       -0.0000000375
 Unscaled step for mode   74=       -0.0000001521
 Unscaled step for mode   75=       -0.0000000884
 Unscaled step for mode   76=       -0.0000001264
 Unscaled step for mode   77=       -0.0000000018
 Unscaled step for mode   78=       -0.0000002417
 Unscaled step for mode   79=       -0.0000002792
 Unscaled step for mode   80=        0.0000000608
 Unscaled step for mode   81=       -0.0000000820
 Unscaled step for mode   82=        0.0000001515
 Unscaled step for mode   83=        0.0000001054
 Unscaled step for mode   84=        0.0000001077
 Unscaled step for mode   85=        0.0000002316
 Unscaled step for mode   86=       -0.0000003051
 Unscaled step for mode   87=       -0.0000000928
 Unscaled step for mode   88=        0.0000000120
 Unscaled step for mode   89=        0.0000002949
 Unscaled step for mode   90=       -0.0000001415
 Unscaled step for mode   91=       -0.0000000219
 Unscaled step for mode   92=       -0.0000003339
 Unscaled step for mode   93=        0.0000005020
 Unscaled step for mode   94=        0.0000002102
 Unscaled step for mode   95=       -0.0000005188
 Unscaled step for mode   96=       -0.0000001489
 Unscaled step for mode   97=       -0.0000003344
 Unscaled step for mode   98=       -0.0000002720
 Unscaled step for mode   99=        0.0000004558
 Unscaled step for mode  100=       -0.0000007084
 Unscaled step for mode  101=        0.0000020415
 Unscaled step for mode  102=       -0.0000009849
 Unscaled step for mode  103=       -0.0000008039
 Unscaled step for mode  104=       -0.0000011209
 Unscaled step for mode  105=       -0.0000005169
 Unscaled step for mode  106=       -0.0000001886
 Unscaled step for mode  107=       -0.0000035514
 Unscaled step for mode  108=        0.0000048569
 Unscaled step for mode  109=       -0.0000039051
 Unscaled step for mode  110=       -0.0000023749
 Unscaled step for mode  111=       -0.0000070088
 Unscaled step for mode  112=       -0.0000029320
 Unscaled step for mode  113=        0.0002315945
 Unscaled step for mode  114=       -0.0388055223
 Largest modulus ratio of non-zero e/values=           150.0426996    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.580048E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.393240E-15    0.100773E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.527122E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.733138E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.722621E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.171331E-15    0.973485E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.227066E-06    0.718135E+03 -0.316188E-09 0.100000E-04    0.974188E+00
   8   -0.434188E-06    0.670186E+03  0.647862E-09 0.100000E-04    0.992449E+00
   9    0.542999E-06    0.622834E+03 -0.871819E-09 0.100000E-04    0.996715E+00
  10    0.123627E-05    0.602950E+03 -0.205037E-08 0.100000E-04    0.993076E+00
  11   -0.910018E-06    0.589630E+03  0.154337E-08 0.100000E-04    0.996434E+00
  12    0.243603E-05    0.563562E+03 -0.432255E-08 0.100000E-04    0.997146E+00
  13    0.207544E-05    0.560709E+03 -0.370146E-08 0.100000E-04    0.998533E+00
  14   -0.503348E-05    0.477770E+03  0.105354E-07 0.100000E-04    0.995851E+00
  15    0.153748E-05    0.470814E+03 -0.326558E-08 0.100000E-04    0.998790E+00
  16    0.878367E-06    0.463656E+03 -0.189444E-08 0.100000E-04    0.980576E+00
  17    0.776757E-06    0.441591E+03 -0.175900E-08 0.100000E-04    0.975502E+00
  18    0.268850E-05    0.431962E+03 -0.622393E-08 0.100000E-04    0.995159E+00
  19    0.521471E-05    0.420181E+03 -0.124106E-07 0.100000E-04    0.991472E+00
  20    0.697195E-05    0.405439E+03 -0.171960E-07 0.100000E-04    0.994719E+00
  21    0.362328E-05    0.398457E+03 -0.909326E-08 0.100000E-04    0.990846E+00
  22   -0.659602E-06    0.388267E+03  0.169884E-08 0.100000E-04    0.980468E+00
  23   -0.198219E-05    0.366933E+03  0.540205E-08 0.100000E-04    0.999417E+00
  24    0.180281E-05    0.364201E+03 -0.495004E-08 0.100000E-04    0.997153E+00
  25   -0.628693E-05    0.352920E+03  0.178141E-07 0.100000E-04    0.991806E+00
  26   -0.919102E-05    0.344486E+03  0.266804E-07 0.100000E-04    0.990267E+00
  27   -0.547053E-05    0.324004E+03  0.168842E-07 0.100000E-04    0.999206E+00
  28    0.489451E-05    0.323568E+03 -0.151267E-07 0.100000E-04    0.989267E+00
  29   -0.515973E-05    0.318871E+03  0.161813E-07 0.100000E-04    0.987756E+00
  30   -0.390016E-05    0.316250E+03  0.123325E-07 0.100000E-04    0.988742E+00
  31   -0.117636E-05    0.305392E+03  0.385199E-08 0.100000E-04    0.986292E+00
  32    0.128161E-06    0.287294E+03 -0.446098E-09 0.100000E-04    0.907294E+00
  33    0.322146E-05    0.280021E+03 -0.115043E-07 0.100000E-04    0.990419E+00
  34    0.141802E-05    0.271696E+03 -0.521914E-08 0.100000E-04    0.985262E+00
  35    0.941680E-05    0.265799E+03 -0.354282E-07 0.100000E-04    0.991628E+00
  36    0.132144E-05    0.261956E+03 -0.504453E-08 0.100000E-04    0.980457E+00
  37   -0.396491E-05    0.257657E+03  0.153883E-07 0.100000E-04    0.990492E+00
  38   -0.230715E-05    0.253372E+03  0.910575E-08 0.100000E-04    0.995613E+00
  39   -0.685978E-05    0.244388E+03  0.280692E-07 0.100000E-04    0.989865E+00
  40    0.239295E-05    0.239717E+03 -0.998242E-08 0.100000E-04    0.981060E+00
  41    0.322783E-05    0.234009E+03 -0.137936E-07 0.100000E-04    0.982459E+00
  42   -0.155504E-05    0.228433E+03  0.680742E-08 0.100000E-04    0.985523E+00
  43    0.132688E-05    0.225120E+03 -0.589409E-08 0.100000E-04    0.991733E+00
  44   -0.859389E-06    0.212883E+03  0.403690E-08 0.100000E-04    0.973837E+00
  45    0.311641E-05    0.211121E+03 -0.147613E-07 0.100000E-04    0.995876E+00
  46   -0.316006E-05    0.209992E+03  0.150485E-07 0.100000E-04    0.984175E+00
  47   -0.958466E-05    0.202862E+03  0.472471E-07 0.100000E-04    0.990618E+00
  48   -0.115828E-05    0.198687E+03  0.582964E-08 0.100000E-04    0.994611E+00
  49    0.491507E-05    0.195279E+03 -0.251695E-07 0.100000E-04    0.988812E+00
  50   -0.412069E-05    0.191663E+03  0.214997E-07 0.100000E-04    0.989240E+00
  51   -0.380702E-05    0.186492E+03  0.204139E-07 0.100000E-04    0.992371E+00
  52   -0.460936E-06    0.178516E+03  0.258204E-08 0.100000E-04    0.998895E+00
  53   -0.422419E-05    0.170678E+03  0.247495E-07 0.100000E-04    0.993498E+00
  54   -0.152101E-05    0.168143E+03  0.904592E-08 0.100000E-04    0.983754E+00
  55    0.798040E-05    0.165779E+03 -0.481389E-07 0.100000E-04    0.991773E+00
  56    0.296070E-05    0.160668E+03 -0.184274E-07 0.100000E-04    0.989209E+00
  57   -0.129558E-05    0.153855E+03  0.842077E-08 0.100000E-04    0.996621E+00
  58    0.627943E-05    0.151063E+03 -0.415682E-07 0.100000E-04    0.990685E+00
  59    0.394873E-05    0.148427E+03 -0.266038E-07 0.100000E-04    0.993225E+00
  60    0.636590E-05    0.142462E+03 -0.446849E-07 0.100000E-04    0.992674E+00
  61    0.483436E-05    0.136894E+03 -0.353147E-07 0.100000E-04    0.988911E+00
  62    0.153759E-04    0.134606E+03 -0.114229E-06 0.100000E-04    0.991804E+00
  63   -0.974787E-05    0.131027E+03  0.743961E-07 0.100000E-04    0.990222E+00
  64    0.172713E-05    0.127703E+03 -0.135245E-07 0.100000E-04    0.986609E+00
  65   -0.164337E-05    0.125642E+03  0.130798E-07 0.100000E-04    0.996756E+00
  66   -0.103651E-04    0.124405E+03  0.833176E-07 0.100000E-04    0.990167E+00
  67    0.812490E-06    0.119422E+03 -0.680350E-08 0.100000E-04    0.999621E+00
  68   -0.271886E-05    0.117978E+03  0.230455E-07 0.100000E-04    0.989151E+00
  69   -0.694521E-06    0.116302E+03  0.597169E-08 0.100000E-04    0.979957E+00
  70    0.419047E-05    0.112794E+03 -0.371517E-07 0.100000E-04    0.986064E+00
  71    0.158056E-06    0.110352E+03 -0.143229E-08 0.100000E-04    0.945147E+00
  72   -0.124071E-04    0.105655E+03  0.117430E-06 0.100000E-04    0.988141E+00
  73    0.385191E-05    0.102829E+03 -0.374595E-07 0.100000E-04    0.982846E+00
  74    0.153056E-04    0.100605E+03 -0.152135E-06 0.100000E-04    0.990297E+00
  75    0.859215E-05    0.972288E+02 -0.883704E-07 0.100000E-04    0.987789E+00
  76    0.120119E-04    0.950234E+02 -0.126410E-06 0.100000E-04    0.989762E+00
  77    0.164097E-06    0.914552E+02 -0.179429E-08 0.100000E-04    0.943635E+00
  78    0.218728E-04    0.904783E+02 -0.241746E-06 0.100000E-04    0.990337E+00
  79    0.245409E-04    0.879106E+02 -0.279158E-06 0.100000E-04    0.992640E+00
  80   -0.513364E-05    0.844456E+02  0.607923E-07 0.100000E-04    0.987582E+00
  81    0.662944E-05    0.808961E+02 -0.819501E-07 0.100000E-04    0.988672E+00
  82   -0.119765E-04    0.790279E+02  0.151548E-06 0.100000E-04    0.989392E+00
  83   -0.829952E-05    0.787318E+02  0.105415E-06 0.100000E-04    0.995310E+00
  84   -0.787268E-05    0.730882E+02  0.107715E-06 0.100000E-04    0.986501E+00
  85   -0.165021E-04    0.712656E+02  0.231557E-06 0.100000E-04    0.990317E+00
  86    0.212311E-04    0.695880E+02 -0.305097E-06 0.100000E-04    0.991103E+00
  87    0.627022E-05    0.675946E+02 -0.927622E-07 0.100000E-04    0.998749E+00
  88   -0.764977E-06    0.636063E+02  0.120267E-07 0.100000E-04    0.955909E+00
  89   -0.183855E-04    0.623468E+02  0.294891E-06 0.100000E-04    0.990046E+00
  90    0.844209E-05    0.596612E+02 -0.141501E-06 0.100000E-04    0.986822E+00
  91    0.128387E-05    0.585054E+02 -0.219444E-07 0.100000E-04    0.994604E+00
  92    0.186399E-04    0.558285E+02 -0.333878E-06 0.100000E-04    0.988644E+00
  93   -0.269436E-04    0.536752E+02  0.501975E-06 0.100000E-04    0.991917E+00
  94   -0.110003E-04    0.523408E+02  0.210167E-06 0.100000E-04    0.985710E+00
  95    0.260926E-04    0.502938E+02 -0.518803E-06 0.100000E-04    0.992973E+00
  96    0.715025E-05    0.480329E+02 -0.148861E-06 0.100000E-04    0.995027E+00
  97    0.146283E-04    0.437509E+02 -0.334353E-06 0.100000E-04    0.989483E+00
  98    0.108128E-04    0.397478E+02 -0.272035E-06 0.100000E-04    0.991795E+00
  99   -0.171696E-04    0.376659E+02  0.455840E-06 0.100000E-04    0.981547E+00
 100    0.256027E-04    0.361425E+02 -0.708384E-06 0.100000E-04    0.991915E+00
 101   -0.706683E-04    0.346158E+02  0.204150E-05 0.100000E-04    0.991085E+00
 102    0.293066E-04    0.297572E+02 -0.984856E-06 0.100000E-04    0.989827E+00
 103    0.233218E-04    0.290122E+02 -0.803863E-06 0.100000E-04    0.990481E+00
 104    0.321761E-04    0.287045E+02 -0.112094E-05 0.100000E-04    0.991490E+00
 105    0.121772E-04    0.235593E+02 -0.516872E-06 0.100000E-04    0.985679E+00
 106    0.412633E-05    0.218799E+02 -0.188590E-06 0.100000E-04    0.975282E+00
 107    0.696123E-04    0.196013E+02 -0.355141E-05 0.100000E-04    0.988842E+00
 108   -0.803992E-04    0.165536E+02  0.485691E-05 0.100000E-04    0.997008E+00
 109    0.543114E-04    0.139078E+02 -0.390511E-05 0.100000E-04    0.993740E+00
 110    0.301698E-04    0.127038E+02 -0.237487E-05 0.100000E-04    0.970966E+00
 111    0.821441E-04    0.117202E+02 -0.700876E-05 0.100000E-04    0.991131E+00
 112    0.274789E-04    0.937205E+01 -0.293200E-05 0.100000E-04    0.992811E+00
 113   -0.175283E-02    0.756852E+01  0.109000E-04 0.109000E-04    0.175255E+00
 114   -0.186011E+00    0.478621E+01 -0.400000E-03 0.400000E-03    0.896746E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3880552227E-01

 Beginning of optimization cycle   78.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3993527561
 potential> RMS force:                                               0.0176015846   |gradient|=.1879334965    
 Eigenvalues of the Hessian matrix:
   718.19464    670.20549    622.85906    602.96936    589.63261    563.58474 
   560.74652    477.78518    470.79188    463.64348    441.58785    431.95081 
   420.18885    405.45018    398.45374    388.27203    366.93358    364.18996 
   352.90922    344.44534    324.00856    323.53983    318.86374    316.26984 
   305.39042    287.29539    280.01818    271.68891    265.79781    261.96223 
   257.65790    253.37313    244.37311    239.70612    234.01896    228.43633 
   225.10195    212.87730    211.12071    209.98696    202.86432    198.68239 
   195.28220    191.66165    186.48836    178.50121    170.67811    168.14261 
   165.77750    160.66580    153.84857    151.06268    148.43424    142.46651 
   136.89439    134.61018    131.02613    127.70279    125.64559    124.41312 
   119.42216    117.97647    116.30636    112.78687    110.34531    105.65103 
   102.82822    100.60095     97.22878     95.02428     91.44869     90.48348 
    87.92179     84.44647     80.89549     79.03039     78.73089     73.08529 
    71.26868     69.57952     67.59831     63.60206     62.34275     59.66117 
    58.50851     55.82814     53.67398     52.33908     50.29426     48.03224 
    43.74641     39.75086     37.65803     36.14467     34.62196     29.74764 
    29.01097     28.70497     23.55384     21.88075     19.59993     16.55734 
    13.90572     12.69900     11.71260      9.37399      7.56962      4.78760 
overlap for current and previous eigenvector    109 is         0.9999947254
overlap for current and previous eigenvector    110 is         0.9999896537
overlap for current and previous eigenvector    111 is        -0.9999869559
overlap for current and previous eigenvector    112 is         0.9999996264
overlap for current and previous eigenvector    113 is        -0.9999993011
overlap for current and previous eigenvector    114 is        -0.9999992098
J1,K1,R1,R2,RAT=   7   7    0.1202882595E-01     1.987806455        0.9878064546    
FOB,PFOB,DIAG,PSTEP=    0.2243344023E-06    0.2270659642E-06     718.1946416       -0.3161881943E-09
J1,K1,R1,R2,RAT=   8   8   -0.4475088728E-01     2.044694159        0.9552491127    
FOB,PFOB,DIAG,PSTEP=   -0.4536188733E-06   -0.4341880229E-06     670.2054922        0.6478615048E-09
J1,K1,R1,R2,RAT=   9   9   -0.1805402168E-01     2.017974463        0.9819459783    
FOB,PFOB,DIAG,PSTEP=    0.5528025975E-06    0.5429988937E-06     622.8590616       -0.8718192097E-09
J1,K1,R1,R2,RAT=  10  10   -0.1437805948E-02     2.001373260        0.9985621941    
FOB,PFOB,DIAG,PSTEP=    0.1238050313E-05    0.1236272735E-05     602.9693602       -0.2050373893E-08
J1,K1,R1,R2,RAT=  11  11   -0.8840817324E-03     2.000874444        0.9991159183    
FOB,PFOB,DIAG,PSTEP=   -0.9108225554E-06   -0.9100180213E-06     589.6326052        0.1543371921E-08
J1,K1,R1,R2,RAT= 109 109   -0.6560399237E-02     2.006854997        0.9934396008    
FOB,PFOB,DIAG,PSTEP=    0.5466768283E-04    0.5431143064E-04     13.90572442       -0.3905113474E-05
J1,K1,R1,R2,RAT= 110 110   -0.2035464078E-01     2.021108333        0.9796453592    
FOB,PFOB,DIAG,PSTEP=    0.3078364766E-04    0.3016978388E-04     12.69900053       -0.2374865544E-05
J1,K1,R1,R2,RAT= 111 111     2.012379660       -0.1108108400E-01    0.9889189160    
FOB,PFOB,DIAG,PSTEP=   -0.8305375164E-04    0.8214409663E-04     11.71260344       -0.7008757405E-05
J1,K1,R1,R2,RAT= 112 112    0.1011674065E-02     1.998573886        0.9985738859    
FOB,PFOB,DIAG,PSTEP=    0.2745106123E-04    0.2747886665E-04     9.373989291       -0.2932002709E-05
J1,K1,R1,R2,RAT= 113 113     43.17036362       -0.6821225384        0.3178774616    
FOB,PFOB,DIAG,PSTEP=    0.1809109547E-02   -0.1752828387E-02     7.569621130        0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    -195.2626912        0.9990887219        0.9112781056E-03
FOB,PFOB,DIAG,PSTEP=    0.1879246857       -0.1860113898         4.787602705       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00001     -0.00000      0.00000     -0.00001      0.00000     -0.00001 
     0.00000     -0.00002      0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000      0.00002      0.00001      0.00001     -0.00000     -0.00002 
     0.00002      0.00001     -0.00001     -0.00001      0.00001     -0.00001 
     0.00002     -0.00002     -0.00001     -0.00000     -0.00002     -0.00001 
    -0.00000      0.00002     -0.00003     -0.00001     -0.00003      0.00001 
    -0.00001      0.00001      0.00002      0.00003      0.00007     -0.00003 
    -0.00002      0.00003      0.00001     -0.00000     -0.00007      0.00008 
     0.00005      0.00003     -0.00008      0.00003      0.00181      0.18792 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4360906404
 Log product of positive Hessian eigenvalues =          520.4671672245
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7876027054
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=       -0.0000000044
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000106
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000019
 Unscaled step for mode   17=       -0.0000000018
 Unscaled step for mode   18=       -0.0000000063
 Unscaled step for mode   19=       -0.0000000125
 Unscaled step for mode   20=       -0.0000000173
 Unscaled step for mode   21=       -0.0000000092
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000180
 Unscaled step for mode   26=        0.0000000269
 Unscaled step for mode   27=        0.0000000169
 Unscaled step for mode   28=       -0.0000000153
 Unscaled step for mode   29=        0.0000000164
 Unscaled step for mode   30=        0.0000000125
 Unscaled step for mode   31=        0.0000000039
 Unscaled step for mode   32=       -0.0000000004
 Unscaled step for mode   33=       -0.0000000116
 Unscaled step for mode   34=       -0.0000000052
 Unscaled step for mode   35=       -0.0000000358
 Unscaled step for mode   36=       -0.0000000051
 Unscaled step for mode   37=        0.0000000156
 Unscaled step for mode   38=        0.0000000092
 Unscaled step for mode   39=        0.0000000283
 Unscaled step for mode   40=       -0.0000000102
 Unscaled step for mode   41=       -0.0000000140
 Unscaled step for mode   42=        0.0000000069
 Unscaled step for mode   43=       -0.0000000060
 Unscaled step for mode   44=        0.0000000043
 Unscaled step for mode   45=       -0.0000000149
 Unscaled step for mode   46=        0.0000000154
 Unscaled step for mode   47=        0.0000000478
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000255
 Unscaled step for mode   50=        0.0000000216
 Unscaled step for mode   51=        0.0000000206
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=       -0.0000000250
 Unscaled step for mode   54=        0.0000000092
 Unscaled step for mode   55=       -0.0000000486
 Unscaled step for mode   56=        0.0000000185
 Unscaled step for mode   57=       -0.0000000085
 Unscaled step for mode   58=        0.0000000419
 Unscaled step for mode   59=       -0.0000000270
 Unscaled step for mode   60=        0.0000000453
 Unscaled step for mode   61=       -0.0000000356
 Unscaled step for mode   62=        0.0000001151
 Unscaled step for mode   63=       -0.0000000749
 Unscaled step for mode   64=       -0.0000000137
 Unscaled step for mode   65=        0.0000000130
 Unscaled step for mode   66=        0.0000000841
 Unscaled step for mode   67=       -0.0000000069
 Unscaled step for mode   68=        0.0000000233
 Unscaled step for mode   69=       -0.0000000059
 Unscaled step for mode   70=       -0.0000000378
 Unscaled step for mode   71=        0.0000000014
 Unscaled step for mode   72=       -0.0000001185
 Unscaled step for mode   73=        0.0000000382
 Unscaled step for mode   74=       -0.0000001534
 Unscaled step for mode   75=       -0.0000000897
 Unscaled step for mode   76=       -0.0000001277
 Unscaled step for mode   77=        0.0000000020
 Unscaled step for mode   78=        0.0000002446
 Unscaled step for mode   79=       -0.0000002811
 Unscaled step for mode   80=       -0.0000000616
 Unscaled step for mode   81=        0.0000000828
 Unscaled step for mode   82=        0.0000001529
 Unscaled step for mode   83=       -0.0000001053
 Unscaled step for mode   84=        0.0000001088
 Unscaled step for mode   85=       -0.0000002334
 Unscaled step for mode   86=        0.0000003078
 Unscaled step for mode   87=        0.0000000924
 Unscaled step for mode   88=        0.0000000120
 Unscaled step for mode   89=        0.0000002975
 Unscaled step for mode   90=        0.0000001426
 Unscaled step for mode   91=        0.0000000217
 Unscaled step for mode   92=       -0.0000003383
 Unscaled step for mode   93=        0.0000005053
 Unscaled step for mode   94=        0.0000002123
 Unscaled step for mode   95=        0.0000005219
 Unscaled step for mode   96=       -0.0000001501
 Unscaled step for mode   97=        0.0000003373
 Unscaled step for mode   98=       -0.0000002743
 Unscaled step for mode   99=       -0.0000004619
 Unscaled step for mode  100=       -0.0000007126
 Unscaled step for mode  101=       -0.0000020595
 Unscaled step for mode  102=        0.0000009908
 Unscaled step for mode  103=        0.0000008105
 Unscaled step for mode  104=       -0.0000011268
 Unscaled step for mode  105=       -0.0000005266
 Unscaled step for mode  106=        0.0000001825
 Unscaled step for mode  107=        0.0000035822
 Unscaled step for mode  108=       -0.0000048727
 Unscaled step for mode  109=       -0.0000039313
 Unscaled step for mode  110=       -0.0000024241
 Unscaled step for mode  111=        0.0000070910
 Unscaled step for mode  112=       -0.0000029284
 Unscaled step for mode  113=       -0.0002389960
 Unscaled step for mode  114=        0.0391920637
 Largest modulus ratio of non-zero e/values=           150.0113284    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.496781E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.401155E-16    0.100773E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.295179E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.703430E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.404326E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.684809E-16    0.973486E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.224334E-06    0.718195E+03 -0.312359E-09 0.100000E-04    0.987806E+00
   8   -0.453619E-06    0.670205E+03  0.676836E-09 0.100000E-04    0.955249E+00
   9    0.552803E-06    0.622859E+03 -0.887524E-09 0.100000E-04    0.981946E+00
  10    0.123805E-05    0.602969E+03 -0.205326E-08 0.100000E-04    0.998562E+00
  11   -0.910823E-06    0.589633E+03  0.154473E-08 0.100000E-04    0.999116E+00
  12    0.245255E-05    0.563585E+03 -0.435169E-08 0.100000E-04    0.993218E+00
  13    0.206646E-05    0.560747E+03 -0.368520E-08 0.100000E-04    0.995541E+00
  14   -0.505122E-05    0.477785E+03  0.105722E-07 0.100000E-04    0.996477E+00
  15    0.154827E-05    0.470792E+03 -0.328864E-08 0.100000E-04    0.992985E+00
  16    0.886247E-06    0.463643E+03 -0.191148E-08 0.100000E-04    0.991028E+00
  17    0.782012E-06    0.441588E+03 -0.177091E-08 0.100000E-04    0.993235E+00
  18    0.270831E-05    0.431951E+03 -0.626995E-08 0.100000E-04    0.992632E+00
  19    0.525619E-05    0.420189E+03 -0.125091E-07 0.100000E-04    0.992046E+00
  20    0.700044E-05    0.405450E+03 -0.172658E-07 0.100000E-04    0.995914E+00
  21    0.365210E-05    0.398454E+03 -0.916568E-08 0.100000E-04    0.992045E+00
  22   -0.649201E-06    0.388272E+03  0.167203E-08 0.100000E-04    0.984205E+00
  23   -0.198222E-05    0.366934E+03  0.540212E-08 0.100000E-04    0.999986E+00
  24    0.180822E-05    0.364190E+03 -0.496506E-08 0.100000E-04    0.996994E+00
  25   -0.634152E-05    0.352909E+03  0.179693E-07 0.100000E-04    0.991316E+00
  26   -0.927988E-05    0.344445E+03  0.269415E-07 0.100000E-04    0.990330E+00
  27   -0.548740E-05    0.324009E+03  0.169360E-07 0.100000E-04    0.996915E+00
  28    0.494586E-05    0.323540E+03 -0.152867E-07 0.100000E-04    0.989509E+00
  29   -0.523996E-05    0.318864E+03  0.164332E-07 0.100000E-04    0.984451E+00
  30   -0.394040E-05    0.316270E+03  0.124590E-07 0.100000E-04    0.989685E+00
  31   -0.120461E-05    0.305390E+03  0.394449E-08 0.100000E-04    0.975991E+00
  32    0.119815E-06    0.287295E+03 -0.417046E-09 0.100000E-04    0.934870E+00
  33    0.324847E-05    0.280018E+03 -0.116009E-07 0.100000E-04    0.991615E+00
  34    0.142492E-05    0.271689E+03 -0.524468E-08 0.100000E-04    0.995134E+00
  35    0.950944E-05    0.265798E+03 -0.357770E-07 0.100000E-04    0.990162E+00
  36    0.133942E-05    0.261962E+03 -0.511304E-08 0.100000E-04    0.986393E+00
  37   -0.400766E-05    0.257658E+03  0.155542E-07 0.100000E-04    0.989218E+00
  38   -0.233034E-05    0.253373E+03  0.919726E-08 0.100000E-04    0.989948E+00
  39   -0.692212E-05    0.244373E+03  0.283260E-07 0.100000E-04    0.990911E+00
  40    0.244653E-05    0.239706E+03 -0.102064E-07 0.100000E-04    0.977610E+00
  41    0.328169E-05    0.234019E+03 -0.140232E-07 0.100000E-04    0.983317E+00
  42   -0.157941E-05    0.228436E+03  0.691401E-08 0.100000E-04    0.984330E+00
  43    0.134909E-05    0.225102E+03 -0.599326E-08 0.100000E-04    0.983258E+00
  44   -0.912585E-06    0.212877E+03  0.428690E-08 0.100000E-04    0.938099E+00
  45    0.314067E-05    0.211121E+03 -0.148762E-07 0.100000E-04    0.992215E+00
  46   -0.322939E-05    0.209987E+03  0.153790E-07 0.100000E-04    0.978058E+00
  47   -0.969532E-05    0.202864E+03  0.477921E-07 0.100000E-04    0.988455E+00
  48   -0.115420E-05    0.198682E+03  0.580928E-08 0.100000E-04    0.996483E+00
  49    0.497907E-05    0.195282E+03 -0.254968E-07 0.100000E-04    0.986979E+00
  50   -0.414911E-05    0.191662E+03  0.216481E-07 0.100000E-04    0.993104E+00
  51   -0.385079E-05    0.186488E+03  0.206490E-07 0.100000E-04    0.988502E+00
  52    0.461260E-06    0.178501E+03 -0.258407E-08 0.100000E-04    0.999297E+00
  53    0.426640E-05    0.170678E+03 -0.249967E-07 0.100000E-04    0.990009E+00
  54   -0.155362E-05    0.168143E+03  0.923990E-08 0.100000E-04    0.978559E+00
  55    0.805574E-05    0.165777E+03 -0.485937E-07 0.100000E-04    0.990560E+00
  56   -0.297803E-05    0.160666E+03  0.185356E-07 0.100000E-04    0.994146E+00
  57    0.131171E-05    0.153849E+03 -0.852600E-08 0.100000E-04    0.987545E+00
  58   -0.632888E-05    0.151063E+03  0.418957E-07 0.100000E-04    0.992124E+00
  59    0.400070E-05    0.148434E+03 -0.269527E-07 0.100000E-04    0.986839E+00
  60   -0.644820E-05    0.142467E+03  0.452612E-07 0.100000E-04    0.987071E+00
  61    0.487697E-05    0.136894E+03 -0.356258E-07 0.100000E-04    0.991187E+00
  62   -0.154990E-04    0.134610E+03  0.115140E-06 0.100000E-04    0.991995E+00
  63    0.982037E-05    0.131026E+03 -0.749497E-07 0.100000E-04    0.992563E+00
  64    0.175491E-05    0.127703E+03 -0.137421E-07 0.100000E-04    0.983913E+00
  65   -0.163327E-05    0.125646E+03  0.129991E-07 0.100000E-04    0.993802E+00
  66   -0.104572E-04    0.124413E+03  0.840523E-07 0.100000E-04    0.991119E+00
  67    0.823699E-06    0.119422E+03 -0.689737E-08 0.100000E-04    0.986204E+00
  68   -0.274668E-05    0.117976E+03  0.232816E-07 0.100000E-04    0.989766E+00
  69    0.685508E-06    0.116306E+03 -0.589398E-08 0.100000E-04    0.986953E+00
  70    0.426519E-05    0.112787E+03 -0.378164E-07 0.100000E-04    0.982168E+00
  71   -0.156222E-06    0.110345E+03  0.141576E-08 0.100000E-04    0.988398E+00
  72    0.125213E-04    0.105651E+03 -0.118516E-06 0.100000E-04    0.990794E+00
  73   -0.392300E-05    0.102828E+03  0.381510E-07 0.100000E-04    0.981546E+00
  74    0.154331E-04    0.100601E+03 -0.153409E-06 0.100000E-04    0.991671E+00
  75    0.872198E-05    0.972288E+02 -0.897057E-07 0.100000E-04    0.984890E+00
  76    0.121372E-04    0.950243E+02 -0.127727E-06 0.100000E-04    0.989574E+00
  77   -0.184181E-06    0.914487E+02  0.201404E-08 0.100000E-04    0.877602E+00
  78   -0.221352E-04    0.904835E+02  0.244633E-06 0.100000E-04    0.988001E+00
  79    0.247139E-04    0.879218E+02 -0.281090E-06 0.100000E-04    0.992952E+00
  80    0.520213E-05    0.844465E+02 -0.616027E-07 0.100000E-04    0.986658E+00
  81   -0.669531E-05    0.808955E+02  0.827650E-07 0.100000E-04    0.990064E+00
  82   -0.120818E-04    0.790304E+02  0.152876E-06 0.100000E-04    0.991209E+00
  83    0.829073E-05    0.787309E+02 -0.105305E-06 0.100000E-04    0.998941E+00
  84   -0.795386E-05    0.730853E+02  0.108830E-06 0.100000E-04    0.989688E+00
  85    0.166318E-04    0.712687E+02 -0.233368E-06 0.100000E-04    0.992138E+00
  86   -0.214193E-04    0.695795E+02  0.307839E-06 0.100000E-04    0.991135E+00
  87   -0.624757E-05    0.675983E+02  0.924220E-07 0.100000E-04    0.996278E+00
  88   -0.760701E-06    0.636021E+02  0.119603E-07 0.100000E-04    0.994410E+00
  89   -0.185457E-04    0.623427E+02  0.297480E-06 0.100000E-04    0.991286E+00
  90   -0.850819E-05    0.596612E+02  0.142609E-06 0.100000E-04    0.992170E+00
  91   -0.127033E-05    0.585085E+02  0.217119E-07 0.100000E-04    0.989350E+00
  92    0.188864E-04    0.558281E+02 -0.338295E-06 0.100000E-04    0.986778E+00
  93   -0.271193E-04    0.536740E+02  0.505259E-06 0.100000E-04    0.993481E+00
  94   -0.111112E-04    0.523391E+02  0.212293E-06 0.100000E-04    0.989917E+00
  95   -0.262474E-04    0.502943E+02  0.521877E-06 0.100000E-04    0.994065E+00
  96    0.720749E-05    0.480322E+02 -0.150055E-06 0.100000E-04    0.991995E+00
  97   -0.147559E-04    0.437464E+02  0.337306E-06 0.100000E-04    0.991272E+00
  98    0.109034E-04    0.397509E+02 -0.274293E-06 0.100000E-04    0.991623E+00
  99    0.173947E-04    0.376580E+02 -0.461912E-06 0.100000E-04    0.986889E+00
 100    0.257576E-04    0.361447E+02 -0.712626E-06 0.100000E-04    0.993950E+00
 101    0.713028E-04    0.346220E+02 -0.205947E-05 0.100000E-04    0.991022E+00
 102   -0.294726E-04    0.297476E+02  0.990755E-06 0.100000E-04    0.994332E+00
 103   -0.235124E-04    0.290110E+02  0.810464E-06 0.100000E-04    0.991830E+00
 104    0.323438E-04    0.287050E+02 -0.112677E-05 0.100000E-04    0.994789E+00
 105    0.124043E-04    0.235538E+02 -0.526637E-06 0.100000E-04    0.981342E+00
 106   -0.399266E-05    0.218808E+02  0.182473E-06 0.100000E-04    0.967531E+00
 107   -0.702111E-04    0.195999E+02  0.358221E-05 0.100000E-04    0.991397E+00
 108    0.806786E-04    0.165573E+02 -0.487268E-05 0.100000E-04    0.996525E+00
 109    0.546677E-04    0.139057E+02 -0.393131E-05 0.100000E-04    0.993440E+00
 110    0.307836E-04    0.126990E+02 -0.242410E-05 0.100000E-04    0.979645E+00
 111   -0.830538E-04    0.117126E+02  0.709097E-05 0.100000E-04    0.988919E+00
 112    0.274511E-04    0.937399E+01 -0.292843E-05 0.100000E-04    0.998574E+00
 113    0.180911E-02    0.756962E+01 -0.100000E-04 0.100000E-04    0.317877E+00
 114    0.187925E+00    0.478760E+01  0.400000E-03 0.400000E-03    0.911278E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3919206366E-01

 Beginning of optimization cycle   79.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3992772219
 potential> RMS force:                                               0.0177808789   |gradient|=.1898478354    
 Eigenvalues of the Hessian matrix:
   718.25386    670.22451    622.88378    602.98858    589.63544    563.60718 
   560.78451    477.79997    470.76977    463.63130    441.58432    431.93976 
   420.19649    405.46085    398.45025    388.27727    366.93406    364.17942 
   352.89874    344.40478    324.01355    323.51198    318.85686    316.28927 
   305.38905    287.29666    280.01494    271.68155    265.79623    261.96884 
   257.65859    253.37381    244.35784    239.69553    234.02858    228.43915 
   225.08356    212.87125    211.12093    209.98213    202.86616    198.67727 
   195.28539    191.66024    186.48470    178.48637    170.67865    168.14218 
   165.77619    160.66328    153.84232    151.06214    148.44128    142.47118 
   136.89507    134.61434    131.02556    127.70215    125.64907    124.42090 
   119.42204    117.97539    116.31042    112.78018    110.33855    105.64711 
   102.82788    100.59669     97.22877     95.02516     91.44214     90.48873 
    87.93298     84.44735     80.89489     79.03295     78.72994     73.08242 
    71.27179     69.57101     67.60207     63.59788     62.33866     59.66116 
    58.51162     55.82778     53.67276     52.33739     50.29475     48.03158 
    43.74191     39.75393     37.65014     36.14692     34.62820     29.73810 
    29.00977     28.70546     23.54834     21.88158     19.59860     16.56108 
    13.90370     12.69424     11.70494      9.37593      7.57072      4.78897 
overlap for current and previous eigenvector    109 is         0.9999948014
overlap for current and previous eigenvector    110 is        -0.9999897073
overlap for current and previous eigenvector    111 is         0.9999869907
overlap for current and previous eigenvector    112 is         0.9999996245
overlap for current and previous eigenvector    113 is        -0.9999992981
overlap for current and previous eigenvector    114 is        -0.9999992128
J1,K1,R1,R2,RAT=   7   7    0.2751273542E-01     1.972322375        0.9723223748    
FOB,PFOB,DIAG,PSTEP=    0.2181618404E-06    0.2243344023E-06     718.2538580       -0.3123587803E-09
J1,K1,R1,R2,RAT=   8   8   -0.7415942026E-02     2.007359197        0.9925840580    
FOB,PFOB,DIAG,PSTEP=   -0.4569829800E-06   -0.4536188733E-06     670.2245083        0.6768355058E-09
J1,K1,R1,R2,RAT=   9   9    0.3256838493E-02     1.996663800        0.9966637999    
FOB,PFOB,DIAG,PSTEP=    0.5510021373E-06    0.5528025975E-06     622.8837781       -0.8875243721E-09
J1,K1,R1,R2,RAT=  10  10   -0.6854622104E-02     2.006790870        0.9931453779    
FOB,PFOB,DIAG,PSTEP=    0.1246536950E-05    0.1238050313E-05     602.9885810       -0.2053255761E-08
J1,K1,R1,R2,RAT=  11  11   -0.3504344352E-02     2.003494745        0.9964956556    
FOB,PFOB,DIAG,PSTEP=   -0.9140144066E-06   -0.9108225554E-06     589.6354353        0.1544728951E-08
J1,K1,R1,R2,RAT= 109 109   -0.6066437573E-02     2.006357295        0.9939335624    
FOB,PFOB,DIAG,PSTEP=    0.5499927270E-04    0.5466768283E-04     13.90370243       -0.3931307796E-05
J1,K1,R1,R2,RAT= 110 110     2.029104878       -0.2835515093E-01    0.9716448491    
FOB,PFOB,DIAG,PSTEP=   -0.3165619555E-04    0.3078364766E-04     12.69424192       -0.2424100038E-05
J1,K1,R1,R2,RAT= 111 111   -0.8533945231E-02     2.009843976        0.9914660548    
FOB,PFOB,DIAG,PSTEP=   -0.8376206385E-04   -0.8305375164E-04     11.70493652        0.7090972736E-05
J1,K1,R1,R2,RAT= 112 112    0.7349150918E-02     1.992237770        0.9922377703    
FOB,PFOB,DIAG,PSTEP=    0.2724927756E-04    0.2745106123E-04     9.375925790       -0.2928428908E-05
J1,K1,R1,R2,RAT= 113 113     48.64044799       -0.8481972307        0.1518027693    
FOB,PFOB,DIAG,PSTEP=   -0.1873324213E-02    0.1809109547E-02     7.570723362       -0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -197.2049627        0.9990691078        0.9308921653E-03
FOB,PFOB,DIAG,PSTEP=   -0.1898384890        0.1879246857         4.788966383        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
    -0.00000     -0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
     0.00000      0.00002      0.00001      0.00001     -0.00000     -0.00002 
     0.00002      0.00001      0.00001     -0.00001     -0.00001     -0.00001 
     0.00002     -0.00002     -0.00001     -0.00000     -0.00002     -0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003      0.00001 
    -0.00001      0.00001     -0.00002      0.00003     -0.00007     -0.00003 
     0.00002      0.00003     -0.00001     -0.00000      0.00007     -0.00008 
     0.00005     -0.00003     -0.00008      0.00003     -0.00187     -0.18984 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4361495449
 Log product of positive Hessian eigenvalues =          520.4658970355
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7889663830
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000044
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000106
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000019
 Unscaled step for mode   17=       -0.0000000018
 Unscaled step for mode   18=       -0.0000000063
 Unscaled step for mode   19=       -0.0000000126
 Unscaled step for mode   20=       -0.0000000174
 Unscaled step for mode   21=       -0.0000000092
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000181
 Unscaled step for mode   26=        0.0000000272
 Unscaled step for mode   27=        0.0000000170
 Unscaled step for mode   28=       -0.0000000154
 Unscaled step for mode   29=        0.0000000166
 Unscaled step for mode   30=        0.0000000126
 Unscaled step for mode   31=        0.0000000040
 Unscaled step for mode   32=       -0.0000000004
 Unscaled step for mode   33=       -0.0000000117
 Unscaled step for mode   34=       -0.0000000053
 Unscaled step for mode   35=       -0.0000000361
 Unscaled step for mode   36=       -0.0000000052
 Unscaled step for mode   37=        0.0000000157
 Unscaled step for mode   38=        0.0000000092
 Unscaled step for mode   39=        0.0000000286
 Unscaled step for mode   40=       -0.0000000104
 Unscaled step for mode   41=       -0.0000000143
 Unscaled step for mode   42=        0.0000000070
 Unscaled step for mode   43=       -0.0000000060
 Unscaled step for mode   44=        0.0000000044
 Unscaled step for mode   45=       -0.0000000149
 Unscaled step for mode   46=        0.0000000156
 Unscaled step for mode   47=        0.0000000482
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000258
 Unscaled step for mode   50=        0.0000000219
 Unscaled step for mode   51=        0.0000000208
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000252
 Unscaled step for mode   54=       -0.0000000094
 Unscaled step for mode   55=       -0.0000000490
 Unscaled step for mode   56=        0.0000000187
 Unscaled step for mode   57=        0.0000000086
 Unscaled step for mode   58=        0.0000000423
 Unscaled step for mode   59=        0.0000000271
 Unscaled step for mode   60=        0.0000000456
 Unscaled step for mode   61=        0.0000000360
 Unscaled step for mode   62=        0.0000001161
 Unscaled step for mode   63=       -0.0000000757
 Unscaled step for mode   64=       -0.0000000139
 Unscaled step for mode   65=       -0.0000000130
 Unscaled step for mode   66=        0.0000000849
 Unscaled step for mode   67=        0.0000000069
 Unscaled step for mode   68=        0.0000000235
 Unscaled step for mode   69=       -0.0000000058
 Unscaled step for mode   70=       -0.0000000383
 Unscaled step for mode   71=        0.0000000013
 Unscaled step for mode   72=       -0.0000001199
 Unscaled step for mode   73=       -0.0000000388
 Unscaled step for mode   74=       -0.0000001549
 Unscaled step for mode   75=       -0.0000000908
 Unscaled step for mode   76=       -0.0000001290
 Unscaled step for mode   77=        0.0000000019
 Unscaled step for mode   78=        0.0000002469
 Unscaled step for mode   79=       -0.0000002831
 Unscaled step for mode   80=       -0.0000000624
 Unscaled step for mode   81=       -0.0000000837
 Unscaled step for mode   82=        0.0000001544
 Unscaled step for mode   83=        0.0000001048
 Unscaled step for mode   84=        0.0000001103
 Unscaled step for mode   85=       -0.0000002356
 Unscaled step for mode   86=        0.0000003106
 Unscaled step for mode   87=        0.0000000925
 Unscaled step for mode   88=        0.0000000114
 Unscaled step for mode   89=        0.0000003004
 Unscaled step for mode   90=        0.0000001445
 Unscaled step for mode   91=       -0.0000000216
 Unscaled step for mode   92=       -0.0000003421
 Unscaled step for mode   93=        0.0000005092
 Unscaled step for mode   94=        0.0000002153
 Unscaled step for mode   95=        0.0000005254
 Unscaled step for mode   96=       -0.0000001508
 Unscaled step for mode   97=        0.0000003408
 Unscaled step for mode   98=       -0.0000002765
 Unscaled step for mode   99=        0.0000004704
 Unscaled step for mode  100=       -0.0000007182
 Unscaled step for mode  101=        0.0000020770
 Unscaled step for mode  102=        0.0000010010
 Unscaled step for mode  103=       -0.0000008180
 Unscaled step for mode  104=       -0.0000011361
 Unscaled step for mode  105=        0.0000005341
 Unscaled step for mode  106=        0.0000001870
 Unscaled step for mode  107=       -0.0000036215
 Unscaled step for mode  108=        0.0000048848
 Unscaled step for mode  109=       -0.0000039557
 Unscaled step for mode  110=        0.0000024937
 Unscaled step for mode  111=        0.0000071561
 Unscaled step for mode  112=       -0.0000029063
 Unscaled step for mode  113=        0.0002474432
 Unscaled step for mode  114=       -0.0395787101
 Largest modulus ratio of non-zero e/values=           149.9809772    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.669820E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.538198E-15    0.100772E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.253863E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.289699E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.112703E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.140106E-15    0.973487E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.218162E-06    0.718254E+03 -0.303739E-09 0.100000E-04    0.972322E+00
   8   -0.456983E-06    0.670225E+03  0.681836E-09 0.100000E-04    0.992584E+00
   9    0.551002E-06    0.622884E+03 -0.884599E-09 0.100000E-04    0.996664E+00
  10    0.124654E-05    0.602989E+03 -0.206726E-08 0.100000E-04    0.993145E+00
  11   -0.914014E-06    0.589635E+03  0.155013E-08 0.100000E-04    0.996496E+00
  12    0.245938E-05    0.563607E+03 -0.436364E-08 0.100000E-04    0.997213E+00
  13    0.206908E-05    0.560785E+03 -0.368962E-08 0.100000E-04    0.998732E+00
  14   -0.507154E-05    0.477800E+03  0.106144E-07 0.100000E-04    0.995977E+00
  15    0.154626E-05    0.470770E+03 -0.328454E-08 0.100000E-04    0.998707E+00
  16    0.903192E-06    0.463631E+03 -0.194808E-08 0.100000E-04    0.980879E+00
  17    0.800770E-06    0.441584E+03 -0.181340E-08 0.100000E-04    0.976013E+00
  18    0.272117E-05    0.431940E+03 -0.629989E-08 0.100000E-04    0.995250E+00
  19    0.530043E-05    0.420196E+03 -0.126142E-07 0.100000E-04    0.991583E+00
  20    0.703661E-05    0.405461E+03 -0.173546E-07 0.100000E-04    0.994833E+00
  21    0.368492E-05    0.398450E+03 -0.924813E-08 0.100000E-04    0.991013E+00
  22   -0.635607E-06    0.388277E+03  0.163699E-08 0.100000E-04    0.979032E+00
  23   -0.198311E-05    0.366934E+03  0.540455E-08 0.100000E-04    0.999548E+00
  24    0.181304E-05    0.364179E+03 -0.497843E-08 0.100000E-04    0.997336E+00
  25   -0.639275E-05    0.352899E+03  0.181150E-07 0.100000E-04    0.991922E+00
  26   -0.936904E-05    0.344405E+03  0.272036E-07 0.100000E-04    0.990391E+00
  27   -0.549969E-05    0.324014E+03  0.169736E-07 0.100000E-04    0.997761E+00
  28    0.498692E-05    0.323512E+03 -0.154149E-07 0.100000E-04    0.991697E+00
  29   -0.530285E-05    0.318857E+03  0.166308E-07 0.100000E-04    0.987997E+00
  30   -0.398533E-05    0.316289E+03  0.126003E-07 0.100000E-04    0.988598E+00
  31   -0.122084E-05    0.305389E+03  0.399767E-08 0.100000E-04    0.986521E+00
  32    0.106364E-06    0.287297E+03 -0.370223E-09 0.100000E-04    0.887722E+00
  33    0.327922E-05    0.280015E+03 -0.117109E-07 0.100000E-04    0.990534E+00
  34    0.144579E-05    0.271682E+03 -0.532162E-08 0.100000E-04    0.985357E+00
  35    0.958767E-05    0.265796E+03 -0.360715E-07 0.100000E-04    0.991774E+00
  36    0.136534E-05    0.261969E+03 -0.521182E-08 0.100000E-04    0.980655E+00
  37   -0.404532E-05    0.257659E+03  0.157003E-07 0.100000E-04    0.990602E+00
  38   -0.234033E-05    0.253374E+03  0.923666E-08 0.100000E-04    0.995713E+00
  39   -0.699102E-05    0.244358E+03  0.286098E-07 0.100000E-04    0.990047E+00
  40    0.249199E-05    0.239696E+03 -0.103965E-07 0.100000E-04    0.981417E+00
  41    0.333838E-05    0.234029E+03 -0.142648E-07 0.100000E-04    0.982726E+00
  42   -0.160186E-05    0.228439E+03  0.701218E-08 0.100000E-04    0.985789E+00
  43    0.136024E-05    0.225084E+03 -0.604326E-08 0.100000E-04    0.991739E+00
  44   -0.935429E-06    0.212871E+03  0.439434E-08 0.100000E-04    0.974967E+00
  45    0.315285E-05    0.211121E+03 -0.149339E-07 0.100000E-04    0.996120E+00
  46   -0.327937E-05    0.209982E+03  0.156174E-07 0.100000E-04    0.984524E+00
  47   -0.978477E-05    0.202866E+03  0.482326E-07 0.100000E-04    0.990774E+00
  48   -0.114749E-05    0.198677E+03  0.577565E-08 0.100000E-04    0.994184E+00
  49    0.503388E-05    0.195285E+03 -0.257770E-07 0.100000E-04    0.988993E+00
  50   -0.419317E-05    0.191660E+03  0.218782E-07 0.100000E-04    0.989380E+00
  51   -0.387969E-05    0.186485E+03  0.208043E-07 0.100000E-04    0.992495E+00
  52    0.460645E-06    0.178486E+03 -0.258084E-08 0.100000E-04    0.998667E+00
  53   -0.429355E-05    0.170679E+03  0.251557E-07 0.100000E-04    0.993636E+00
  54    0.157835E-05    0.168142E+03 -0.938700E-08 0.100000E-04    0.984082E+00
  55    0.812078E-05    0.165776E+03 -0.489864E-07 0.100000E-04    0.991927E+00
  56   -0.300961E-05    0.160663E+03  0.187324E-07 0.100000E-04    0.989395E+00
  57   -0.131622E-05    0.153842E+03  0.855564E-08 0.100000E-04    0.996564E+00
  58   -0.638705E-05    0.151062E+03  0.422810E-07 0.100000E-04    0.990809E+00
  59   -0.402707E-05    0.148441E+03  0.271290E-07 0.100000E-04    0.993409E+00
  60   -0.649454E-05    0.142471E+03  0.455849E-07 0.100000E-04    0.992814E+00
  61   -0.493044E-05    0.136895E+03  0.360162E-07 0.100000E-04    0.989036E+00
  62   -0.156236E-04    0.134614E+03  0.116062E-06 0.100000E-04    0.991962E+00
  63    0.991482E-05    0.131026E+03 -0.756709E-07 0.100000E-04    0.990382E+00
  64    0.177828E-05    0.127702E+03 -0.139252E-07 0.100000E-04    0.986684E+00
  65    0.163783E-05    0.125649E+03 -0.130350E-07 0.100000E-04    0.997207E+00
  66   -0.105584E-04    0.124421E+03  0.848602E-07 0.100000E-04    0.990326E+00
  67   -0.823318E-06    0.119422E+03  0.689419E-08 0.100000E-04    0.999537E+00
  68   -0.277605E-05    0.117975E+03  0.235307E-07 0.100000E-04    0.989308E+00
  69    0.670764E-06    0.116310E+03 -0.576701E-08 0.100000E-04    0.978422E+00
  70    0.432333E-05    0.112780E+03 -0.383341E-07 0.100000E-04    0.986369E+00
  71   -0.146676E-06    0.110339E+03  0.132933E-08 0.100000E-04    0.938894E+00
  72    0.126677E-04    0.105647E+03 -0.119906E-06 0.100000E-04    0.988307E+00
  73    0.398901E-05    0.102828E+03 -0.387931E-07 0.100000E-04    0.983173E+00
  74    0.155798E-04    0.100597E+03 -0.154874E-06 0.100000E-04    0.990493E+00
  75    0.882720E-05    0.972288E+02 -0.907879E-07 0.100000E-04    0.987936E+00
  76    0.122591E-04    0.950252E+02 -0.129009E-06 0.100000E-04    0.989953E+00
  77   -0.174613E-06    0.914421E+02  0.190954E-08 0.100000E-04    0.948046E+00
  78   -0.223454E-04    0.904887E+02  0.246942E-06 0.100000E-04    0.990503E+00
  79    0.248903E-04    0.879330E+02 -0.283060E-06 0.100000E-04    0.992864E+00
  80    0.526559E-05    0.844474E+02 -0.623535E-07 0.100000E-04    0.987802E+00
  81    0.676964E-05    0.808949E+02 -0.836844E-07 0.100000E-04    0.988899E+00
  82   -0.122029E-04    0.790329E+02  0.154403E-06 0.100000E-04    0.989975E+00
  83   -0.825249E-05    0.787299E+02  0.104820E-06 0.100000E-04    0.995388E+00
  84   -0.805985E-05    0.730824E+02  0.110284E-06 0.100000E-04    0.986673E+00
  85    0.167903E-04    0.712718E+02 -0.235581E-06 0.100000E-04    0.990471E+00
  86   -0.216054E-04    0.695710E+02  0.310552E-06 0.100000E-04    0.991310E+00
  87   -0.625247E-05    0.676021E+02  0.924894E-07 0.100000E-04    0.999216E+00
  88   -0.723673E-06    0.635979E+02  0.113789E-07 0.100000E-04    0.951320E+00
  89   -0.187269E-04    0.623387E+02  0.300406E-06 0.100000E-04    0.990231E+00
  90   -0.861848E-05    0.596612E+02  0.144457E-06 0.100000E-04    0.987038E+00
  91    0.126273E-05    0.585116E+02 -0.215809E-07 0.100000E-04    0.993914E+00
  92    0.190968E-04    0.558278E+02 -0.342066E-06 0.100000E-04    0.988860E+00
  93   -0.273326E-04    0.536728E+02  0.509245E-06 0.100000E-04    0.992135E+00
  94   -0.112674E-04    0.523374E+02  0.215284E-06 0.100000E-04    0.985940E+00
  95   -0.264264E-04    0.502948E+02  0.525431E-06 0.100000E-04    0.993180E+00
  96    0.724201E-05    0.480316E+02 -0.150776E-06 0.100000E-04    0.995211E+00
  97   -0.149084E-04    0.437419E+02  0.340827E-06 0.100000E-04    0.989665E+00
  98    0.109913E-04    0.397539E+02 -0.276483E-06 0.100000E-04    0.991939E+00
  99   -0.177124E-04    0.376501E+02  0.470447E-06 0.100000E-04    0.981733E+00
 100    0.259599E-04    0.361469E+02 -0.718177E-06 0.100000E-04    0.992148E+00
 101   -0.719222E-04    0.346282E+02  0.207698E-05 0.100000E-04    0.991315E+00
 102   -0.297693E-04    0.297381E+02  0.100105E-05 0.100000E-04    0.989931E+00
 103    0.237307E-04    0.290098E+02 -0.818026E-06 0.100000E-04    0.990712E+00
 104    0.326122E-04    0.287055E+02 -0.113610E-05 0.100000E-04    0.991701E+00
 105   -0.125778E-04    0.235483E+02  0.534126E-06 0.100000E-04    0.986014E+00
 106   -0.409279E-05    0.218816E+02  0.187043E-06 0.100000E-04    0.974923E+00
 107    0.709754E-04    0.195986E+02 -0.362145E-05 0.100000E-04    0.989114E+00
 108   -0.808971E-04    0.165611E+02  0.488477E-05 0.100000E-04    0.997292E+00
 109    0.549993E-04    0.139037E+02 -0.395573E-05 0.100000E-04    0.993934E+00
 110   -0.316562E-04    0.126942E+02  0.249374E-05 0.100000E-04    0.971645E+00
 111   -0.837621E-04    0.117049E+02  0.715613E-05 0.100000E-04    0.991466E+00
 112    0.272493E-04    0.937593E+01 -0.290630E-05 0.100000E-04    0.992238E+00
 113   -0.187332E-02    0.757072E+01  0.109000E-04 0.109000E-04    0.151803E+00
 114   -0.189838E+00    0.478897E+01 -0.400000E-03 0.400000E-03    0.930892E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3957871006E-01

 Beginning of optimization cycle   80.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3992009243
 potential> RMS force:                                               0.0179602152   |gradient|=.1917626231    
 Eigenvalues of the Hessian matrix:
   718.31303    670.24342    622.90835    603.00776    589.63808    563.62963 
   560.82256    477.81480    470.74764    463.61918    441.58084    431.92879 
   420.20418    405.47156    398.44676    388.28249    366.93462    364.16886 
   352.88835    344.36429    324.01862    323.48425    318.84985    316.30865 
   305.38768    287.29796    280.01166    271.67426    265.79471    261.97554 
   257.65942    253.37454    244.34264    239.68496    234.03827    228.44198 
   225.06519    212.86532    211.12136    209.97709    202.86803    198.67219 
   195.28858    191.65886    186.48096    178.47152    170.67923    168.14173 
   165.77488    160.66071    153.83612    151.06161    148.44828    142.47582 
   136.89574    134.61855    131.02496    127.70150    125.65255    124.42867 
   119.42193    117.97433    116.31446    112.77345    110.33171    105.64316 
   102.82754    100.59243     97.22871     95.02602     91.43561     90.49400 
    87.94420     84.44825     80.89431     79.03555     78.72895     73.07954 
    71.27486     69.56248     67.60578     63.59376     62.33446     59.66114 
    58.51473     55.82741     53.67149     52.33571     50.29522     48.03090 
    43.73741     39.75698     37.64223     36.14908     34.63445     29.72855 
    29.00857     28.70595     23.54285     21.88241     19.59730     16.56479 
    13.90169     12.68952     11.69718      9.37786      7.57179      4.79029 
overlap for current and previous eigenvector    109 is        -0.9999948605
overlap for current and previous eigenvector    110 is         0.9999897311
overlap for current and previous eigenvector    111 is        -0.9999869692
overlap for current and previous eigenvector    112 is        -0.9999996234
overlap for current and previous eigenvector    113 is         0.9999992998
overlap for current and previous eigenvector    114 is        -0.9999992177
J1,K1,R1,R2,RAT=   7   7    0.1350048945E-01     1.986334747        0.9863347466    
FOB,PFOB,DIAG,PSTEP=    0.2152163061E-06    0.2181618404E-06     718.3130340       -0.3037391835E-09
J1,K1,R1,R2,RAT=   8   8   -0.4292068361E-01     2.042864261        0.9570793164    
FOB,PFOB,DIAG,PSTEP=   -0.4765975553E-06   -0.4569829800E-06     670.2434167        0.6818356750E-09
J1,K1,R1,R2,RAT=   9   9   -0.1767401900E-01     2.017595132        0.9823259810    
FOB,PFOB,DIAG,PSTEP=    0.5607409437E-06    0.5510021373E-06     622.9083477       -0.8845986308E-09
J1,K1,R1,R2,RAT=  10  10   -0.1298253275E-02     2.001234641        0.9987017467    
FOB,PFOB,DIAG,PSTEP=    0.1248155322E-05    0.1246536950E-05     603.0077605       -0.2067264604E-08
J1,K1,R1,R2,RAT=  11  11   -0.8212182476E-03     2.000812238        0.9991787818    
FOB,PFOB,DIAG,PSTEP=   -0.9147650153E-06   -0.9140144066E-06     589.6380827        0.1550134799E-08
J1,K1,R1,R2,RAT= 109 109     2.006656456       -0.6367520271E-02    0.9936324797    
FOB,PFOB,DIAG,PSTEP=   -0.5534943109E-04    0.5499927270E-04     13.90169408       -0.3955728554E-05
J1,K1,R1,R2,RAT= 110 110   -0.1986672612E-01     2.020611345        0.9801332739    
FOB,PFOB,DIAG,PSTEP=   -0.3228486645E-04   -0.3165619555E-04     12.68951749        0.2493744467E-05
J1,K1,R1,R2,RAT= 111 111     2.012125167       -0.1079899567E-01    0.9892010043    
FOB,PFOB,DIAG,PSTEP=    0.8466601062E-04   -0.8376206385E-04     11.69718029        0.7156131404E-05
J1,K1,R1,R2,RAT= 112 112     1.998182804        0.1403668430E-02    0.9981828039    
FOB,PFOB,DIAG,PSTEP=   -0.2721102070E-04    0.2724927756E-04     9.377864793       -0.2906302606E-05
J1,K1,R1,R2,RAT= 113 113   -0.7033549287         46.09936389        0.2966450713    
FOB,PFOB,DIAG,PSTEP=   -0.1931373889E-02   -0.1873324213E-02     7.571793670        0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    -199.1483602        0.9990542887        0.9457112724E-03
FOB,PFOB,DIAG,PSTEP=    0.1917527926       -0.1898384890         4.790289025       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
    -0.00000     -0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
     0.00000      0.00002      0.00001      0.00001      0.00000     -0.00002 
    -0.00003      0.00001      0.00001     -0.00001     -0.00001     -0.00001 
     0.00002      0.00002      0.00001     -0.00000     -0.00002     -0.00001 
    -0.00000      0.00002     -0.00003      0.00001      0.00003      0.00001 
     0.00002     -0.00001      0.00002     -0.00003      0.00007      0.00003 
    -0.00002     -0.00003      0.00001      0.00000     -0.00007      0.00008 
    -0.00006     -0.00003      0.00008     -0.00003     -0.00193      0.19175 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4362099976
 Log product of positive Hessian eigenvalues =          520.4646048021
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7902890246
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000044
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000106
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000020
 Unscaled step for mode   17=       -0.0000000018
 Unscaled step for mode   18=       -0.0000000063
 Unscaled step for mode   19=       -0.0000000127
 Unscaled step for mode   20=       -0.0000000174
 Unscaled step for mode   21=       -0.0000000093
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000183
 Unscaled step for mode   26=        0.0000000275
 Unscaled step for mode   27=        0.0000000170
 Unscaled step for mode   28=       -0.0000000155
 Unscaled step for mode   29=        0.0000000169
 Unscaled step for mode   30=        0.0000000127
 Unscaled step for mode   31=        0.0000000041
 Unscaled step for mode   32=       -0.0000000003
 Unscaled step for mode   33=       -0.0000000118
 Unscaled step for mode   34=       -0.0000000053
 Unscaled step for mode   35=       -0.0000000364
 Unscaled step for mode   36=       -0.0000000053
 Unscaled step for mode   37=        0.0000000159
 Unscaled step for mode   38=        0.0000000093
 Unscaled step for mode   39=        0.0000000289
 Unscaled step for mode   40=       -0.0000000106
 Unscaled step for mode   41=       -0.0000000145
 Unscaled step for mode   42=        0.0000000071
 Unscaled step for mode   43=       -0.0000000061
 Unscaled step for mode   44=        0.0000000047
 Unscaled step for mode   45=       -0.0000000150
 Unscaled step for mode   46=        0.0000000160
 Unscaled step for mode   47=        0.0000000488
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000261
 Unscaled step for mode   50=        0.0000000220
 Unscaled step for mode   51=        0.0000000210
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000254
 Unscaled step for mode   54=       -0.0000000096
 Unscaled step for mode   55=        0.0000000494
 Unscaled step for mode   56=       -0.0000000188
 Unscaled step for mode   57=        0.0000000087
 Unscaled step for mode   58=        0.0000000426
 Unscaled step for mode   59=        0.0000000275
 Unscaled step for mode   60=        0.0000000462
 Unscaled step for mode   61=        0.0000000363
 Unscaled step for mode   62=        0.0000001170
 Unscaled step for mode   63=       -0.0000000762
 Unscaled step for mode   64=       -0.0000000141
 Unscaled step for mode   65=       -0.0000000129
 Unscaled step for mode   66=        0.0000000856
 Unscaled step for mode   67=        0.0000000070
 Unscaled step for mode   68=       -0.0000000238
 Unscaled step for mode   69=        0.0000000057
 Unscaled step for mode   70=        0.0000000390
 Unscaled step for mode   71=        0.0000000013
 Unscaled step for mode   72=        0.0000001210
 Unscaled step for mode   73=       -0.0000000395
 Unscaled step for mode   74=       -0.0000001561
 Unscaled step for mode   75=       -0.0000000921
 Unscaled step for mode   76=       -0.0000001303
 Unscaled step for mode   77=       -0.0000000021
 Unscaled step for mode   78=        0.0000002498
 Unscaled step for mode   79=        0.0000002849
 Unscaled step for mode   80=       -0.0000000632
 Unscaled step for mode   81=       -0.0000000845
 Unscaled step for mode   82=        0.0000001557
 Unscaled step for mode   83=        0.0000001047
 Unscaled step for mode   84=        0.0000001114
 Unscaled step for mode   85=       -0.0000002374
 Unscaled step for mode   86=       -0.0000003133
 Unscaled step for mode   87=       -0.0000000921
 Unscaled step for mode   88=        0.0000000113
 Unscaled step for mode   89=        0.0000003030
 Unscaled step for mode   90=        0.0000001456
 Unscaled step for mode   91=        0.0000000213
 Unscaled step for mode   92=       -0.0000003465
 Unscaled step for mode   93=        0.0000005125
 Unscaled step for mode   94=       -0.0000002174
 Unscaled step for mode   95=       -0.0000005284
 Unscaled step for mode   96=       -0.0000001520
 Unscaled step for mode   97=       -0.0000003438
 Unscaled step for mode   98=        0.0000002787
 Unscaled step for mode   99=       -0.0000004766
 Unscaled step for mode  100=        0.0000007223
 Unscaled step for mode  101=       -0.0000020947
 Unscaled step for mode  102=       -0.0000010069
 Unscaled step for mode  103=        0.0000008246
 Unscaled step for mode  104=        0.0000011417
 Unscaled step for mode  105=       -0.0000005439
 Unscaled step for mode  106=       -0.0000001807
 Unscaled step for mode  107=        0.0000036520
 Unscaled step for mode  108=       -0.0000048994
 Unscaled step for mode  109=        0.0000039815
 Unscaled step for mode  110=        0.0000025442
 Unscaled step for mode  111=       -0.0000072382
 Unscaled step for mode  112=        0.0000029016
 Unscaled step for mode  113=        0.0002550748
 Unscaled step for mode  114=        0.0399655460
 Largest modulus ratio of non-zero e/values=           149.9519195    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.490059E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.854351E-16    0.100772E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.658954E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.216840E-18    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.834836E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.973071E-17    0.973489E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.215216E-06    0.718313E+03 -0.299614E-09 0.100000E-04    0.986335E+00
   8   -0.476598E-06    0.670243E+03  0.711081E-09 0.100000E-04    0.957079E+00
   9    0.560741E-06    0.622908E+03 -0.900198E-09 0.100000E-04    0.982326E+00
  10    0.124816E-05    0.603008E+03 -0.206988E-08 0.100000E-04    0.998702E+00
  11   -0.914765E-06    0.589638E+03  0.155140E-08 0.100000E-04    0.999179E+00
  12    0.247583E-05    0.563630E+03 -0.439265E-08 0.100000E-04    0.993313E+00
  13    0.205955E-05    0.560823E+03 -0.367237E-08 0.100000E-04    0.995255E+00
  14   -0.508870E-05    0.477815E+03  0.106499E-07 0.100000E-04    0.996617E+00
  15    0.155699E-05    0.470748E+03 -0.330749E-08 0.100000E-04    0.993062E+00
  16    0.911258E-06    0.463619E+03 -0.196553E-08 0.100000E-04    0.991070E+00
  17    0.806139E-06    0.441581E+03 -0.182558E-08 0.100000E-04    0.993295E+00
  18    0.274091E-05    0.431929E+03 -0.634575E-08 0.100000E-04    0.992746E+00
  19    0.534195E-05    0.420204E+03 -0.127128E-07 0.100000E-04    0.992165E+00
  20    0.706448E-05    0.405472E+03 -0.174229E-07 0.100000E-04    0.996039E+00
  21    0.371361E-05    0.398447E+03 -0.932022E-08 0.100000E-04    0.992214E+00
  22   -0.624788E-06    0.388282E+03  0.160911E-08 0.100000E-04    0.982953E+00
  23   -0.198279E-05    0.366935E+03  0.540367E-08 0.100000E-04    0.999836E+00
  24    0.181819E-05    0.364169E+03 -0.499272E-08 0.100000E-04    0.997159E+00
  25   -0.644747E-05    0.352888E+03  0.182706E-07 0.100000E-04    0.991441E+00
  26   -0.945841E-05    0.344364E+03  0.274663E-07 0.100000E-04    0.990460E+00
  27   -0.552304E-05    0.324019E+03  0.170454E-07 0.100000E-04    0.995754E+00
  28    0.502923E-05    0.323484E+03 -0.155471E-07 0.100000E-04    0.991515E+00
  29   -0.538373E-05    0.318850E+03  0.168848E-07 0.100000E-04    0.984748E+00
  30   -0.402713E-05    0.316309E+03  0.127317E-07 0.100000E-04    0.989511E+00
  31   -0.124956E-05    0.305388E+03  0.409173E-08 0.100000E-04    0.976476E+00
  32    0.976990E-07    0.287298E+03 -0.340062E-09 0.100000E-04    0.918528E+00
  33    0.330624E-05    0.280012E+03 -0.118075E-07 0.100000E-04    0.991762E+00
  34    0.145286E-05    0.271674E+03 -0.534779E-08 0.100000E-04    0.995109E+00
  35    0.968048E-05    0.265795E+03 -0.364209E-07 0.100000E-04    0.990319E+00
  36    0.138391E-05    0.261976E+03 -0.528258E-08 0.100000E-04    0.986398E+00
  37   -0.408837E-05    0.257659E+03  0.158673E-07 0.100000E-04    0.989359E+00
  38   -0.236347E-05    0.253375E+03  0.932799E-08 0.100000E-04    0.990110E+00
  39   -0.705338E-05    0.244343E+03  0.288667E-07 0.100000E-04    0.991079E+00
  40    0.254666E-05    0.239685E+03 -0.106250E-07 0.100000E-04    0.978060E+00
  41    0.339331E-05    0.234038E+03 -0.144989E-07 0.100000E-04    0.983547E+00
  42   -0.162654E-05    0.228442E+03  0.712015E-08 0.100000E-04    0.984591E+00
  43    0.138283E-05    0.225065E+03 -0.614412E-08 0.100000E-04    0.983392E+00
  44   -0.990166E-06    0.212865E+03  0.465161E-08 0.100000E-04    0.941483E+00
  45    0.317591E-05    0.211121E+03 -0.150431E-07 0.100000E-04    0.992686E+00
  46   -0.334986E-05    0.209977E+03  0.159534E-07 0.100000E-04    0.978505E+00
  47   -0.989599E-05    0.202868E+03  0.487804E-07 0.100000E-04    0.988633E+00
  48   -0.114284E-05    0.198672E+03  0.575240E-08 0.100000E-04    0.995950E+00
  49    0.509855E-05    0.195289E+03 -0.261078E-07 0.100000E-04    0.987154E+00
  50   -0.422129E-05    0.191659E+03  0.220250E-07 0.100000E-04    0.993296E+00
  51   -0.392371E-05    0.186481E+03  0.210408E-07 0.100000E-04    0.988655E+00
  52    0.460742E-06    0.178472E+03 -0.258160E-08 0.100000E-04    0.999789E+00
  53   -0.433560E-05    0.170679E+03  0.254020E-07 0.100000E-04    0.990206E+00
  54    0.161165E-05    0.168142E+03 -0.958504E-08 0.100000E-04    0.978905E+00
  55   -0.819608E-05    0.165775E+03  0.494410E-07 0.100000E-04    0.990727E+00
  56    0.302678E-05    0.160661E+03 -0.188396E-07 0.100000E-04    0.994296E+00
  57   -0.133250E-05    0.153836E+03  0.866178E-08 0.100000E-04    0.987634E+00
  58   -0.643660E-05    0.151062E+03  0.426091E-07 0.100000E-04    0.992242E+00
  59   -0.407901E-05    0.148448E+03  0.274777E-07 0.100000E-04    0.987102E+00
  60   -0.657707E-05    0.142476E+03  0.461627E-07 0.100000E-04    0.987292E+00
  61   -0.497323E-05    0.136896E+03  0.363286E-07 0.100000E-04    0.991321E+00
  62   -0.157460E-04    0.134619E+03  0.116967E-06 0.100000E-04    0.992169E+00
  63    0.998694E-05    0.131025E+03 -0.762217E-07 0.100000E-04    0.992727E+00
  64    0.180676E-05    0.127702E+03 -0.141483E-07 0.100000E-04    0.983986E+00
  65    0.162681E-05    0.125653E+03 -0.129469E-07 0.100000E-04    0.993214E+00
  66   -0.106503E-04    0.124429E+03  0.855937E-07 0.100000E-04    0.991293E+00
  67   -0.834732E-06    0.119422E+03  0.698977E-08 0.100000E-04    0.986136E+00
  68    0.280397E-05    0.117974E+03 -0.237677E-07 0.100000E-04    0.989940E+00
  69   -0.661325E-06    0.116314E+03  0.568567E-08 0.100000E-04    0.985860E+00
  70   -0.439897E-05    0.112773E+03  0.390072E-07 0.100000E-04    0.982503E+00
  71   -0.144474E-06    0.110332E+03  0.130945E-08 0.100000E-04    0.984983E+00
  72   -0.127824E-04    0.105643E+03  0.120996E-06 0.100000E-04    0.990949E+00
  73    0.406125E-05    0.102828E+03 -0.394958E-07 0.100000E-04    0.981889E+00
  74    0.157065E-04    0.100592E+03 -0.156140E-06 0.100000E-04    0.991869E+00
  75    0.895884E-05    0.972287E+02 -0.921419E-07 0.100000E-04    0.985087E+00
  76    0.123847E-04    0.950260E+02 -0.130329E-06 0.100000E-04    0.989756E+00
  77    0.195197E-06    0.914356E+02 -0.213480E-08 0.100000E-04    0.882106E+00
  78   -0.226093E-04    0.904940E+02  0.249843E-06 0.100000E-04    0.988195E+00
  79   -0.250597E-04    0.879442E+02  0.284949E-06 0.100000E-04    0.993196E+00
  80    0.533477E-05    0.844482E+02 -0.631720E-07 0.100000E-04    0.986863E+00
  81    0.683545E-05    0.808943E+02 -0.844985E-07 0.100000E-04    0.990279E+00
  82   -0.123035E-04    0.790356E+02  0.155671E-06 0.100000E-04    0.991758E+00
  83   -0.824536E-05    0.787289E+02  0.104731E-06 0.100000E-04    0.999136E+00
  84   -0.814158E-05    0.730795E+02  0.111407E-06 0.100000E-04    0.989860E+00
  85    0.169194E-04    0.712749E+02 -0.237383E-06 0.100000E-04    0.992308E+00
  86    0.217922E-04    0.695625E+02 -0.313275E-06 0.100000E-04    0.991352E+00
  87    0.622648E-05    0.676058E+02 -0.920999E-07 0.100000E-04    0.995734E+00
  88   -0.718232E-06    0.635938E+02  0.112941E-07 0.100000E-04    0.992482E+00
  89   -0.188868E-04    0.623345E+02  0.302992E-06 0.100000E-04    0.991459E+00
  90   -0.868418E-05    0.596611E+02  0.145558E-06 0.100000E-04    0.992377E+00
  91   -0.124868E-05    0.585147E+02  0.213396E-07 0.100000E-04    0.988766E+00
  92    0.193447E-04    0.558274E+02 -0.346508E-06 0.100000E-04    0.987019E+00
  93   -0.275044E-04    0.536715E+02  0.512459E-06 0.100000E-04    0.993712E+00
  94    0.113789E-04    0.523357E+02 -0.217421E-06 0.100000E-04    0.990109E+00
  95    0.265775E-04    0.502952E+02 -0.528430E-06 0.100000E-04    0.994283E+00
  96    0.729889E-05    0.480309E+02 -0.151962E-06 0.100000E-04    0.992146E+00
  97    0.150354E-04    0.437374E+02 -0.343764E-06 0.100000E-04    0.991485E+00
  98   -0.110817E-04    0.397570E+02  0.278736E-06 0.100000E-04    0.991775E+00
  99    0.179419E-04    0.376422E+02 -0.476642E-06 0.100000E-04    0.987042E+00
 100   -0.261112E-04    0.361491E+02  0.722319E-06 0.100000E-04    0.994174E+00
 101    0.725503E-04    0.346345E+02 -0.209474E-05 0.100000E-04    0.991268E+00
 102    0.299343E-04    0.297286E+02 -0.100692E-05 0.100000E-04    0.994456E+00
 103   -0.239193E-04    0.290086E+02  0.824559E-06 0.100000E-04    0.992055E+00
 104   -0.327750E-04    0.287060E+02  0.114175E-05 0.100000E-04    0.995010E+00
 105    0.128059E-04    0.235429E+02 -0.543942E-06 0.100000E-04    0.981855E+00
 106    0.395502E-05    0.218824E+02 -0.180740E-06 0.100000E-04    0.966264E+00
 107   -0.715688E-04    0.195973E+02  0.365197E-05 0.100000E-04    0.991639E+00
 108    0.811578E-04    0.165648E+02 -0.489942E-05 0.100000E-04    0.996778E+00
 109   -0.553494E-04    0.139017E+02  0.398149E-05 0.100000E-04    0.993632E+00
 110   -0.322849E-04    0.126895E+02  0.254422E-05 0.100000E-04    0.980133E+00
 111    0.846660E-04    0.116972E+02 -0.723816E-05 0.100000E-04    0.989201E+00
 112   -0.272110E-04    0.937786E+01  0.290162E-05 0.100000E-04    0.998183E+00
 113   -0.193137E-02    0.757179E+01  0.100000E-04 0.100000E-04    0.296645E+00
 114    0.191753E+00    0.479029E+01  0.400000E-03 0.400000E-03    0.945711E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.3996554601E-01

 Beginning of optimization cycle   81.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3991238599
 potential> RMS force:                                               0.0181396046   |gradient|=.1936779778    
 Eigenvalues of the Hessian matrix:
   718.37228    670.26233    622.93286    603.02670    589.64072    563.65197 
   560.86060    477.82969    470.72551    463.60705    441.57738    431.91777 
   420.21183    405.48225    398.44326    388.28767    366.93517    364.15832 
   352.87794    344.32375    324.02369    323.45671    318.84274    316.32794 
   305.38627    287.29928    280.00837    271.66695    265.79320    261.98224 
   257.66025    253.37528    244.32745    239.67432    234.04798    228.44480 
   225.04679    212.85947    211.12192    209.97183    202.86991    198.66710 
   195.29177    191.65751    186.47714    178.45668    170.67987    168.14121 
   165.77357    160.65812    153.82996    151.06106    148.45531    142.48046 
   136.89640    134.62275    131.02437    127.70085    125.65604    124.43641 
   119.42184    117.97330    116.31851    112.76670    110.32485    105.63924 
   102.82724    100.58815     97.22862     95.02690     91.42908     90.49930 
    87.95543     84.44915     80.89374     79.03820     78.72791     73.07667 
    71.27797     69.55395     67.60952     63.58968     62.33023     59.66112 
    58.51785     55.82709     53.67021     52.33405     50.29569     48.03024 
    43.73290     39.76004     37.63435     36.15128     34.64076     29.71903 
    29.00736     28.70644     23.53736     21.88324     19.59610     16.56846 
    13.89971     12.68482     11.68936      9.37980      7.57287      4.79158 
overlap for current and previous eigenvector    109 is         0.9999949353
overlap for current and previous eigenvector    110 is        -0.9999897931
overlap for current and previous eigenvector    111 is         0.9999870154
overlap for current and previous eigenvector    112 is         0.9999996214
overlap for current and previous eigenvector    113 is         0.9999992966
overlap for current and previous eigenvector    114 is        -0.9999992207
J1,K1,R1,R2,RAT=   7   7    0.2958679901E-01     1.970248268        0.9702482684    
FOB,PFOB,DIAG,PSTEP=    0.2088482193E-06    0.2152163061E-06     718.3722755       -0.2996135332E-09
J1,K1,R1,R2,RAT=   8   8   -0.7287322507E-02     2.007230882        0.9927126775    
FOB,PFOB,DIAG,PSTEP=   -0.4800707734E-06   -0.4765975553E-06     670.2623315        0.7110812929E-09
J1,K1,R1,R2,RAT=   9   9    0.3317824372E-02     1.996603484        0.9966034840    
FOB,PFOB,DIAG,PSTEP=    0.5588804305E-06    0.5607409437E-06     622.9328575       -0.9001981524E-09
J1,K1,R1,R2,RAT=  10  10   -0.6786254058E-02     2.006723433        0.9932137459    
FOB,PFOB,DIAG,PSTEP=    0.1256625888E-05    0.1248155322E-05     603.0267019       -0.2069882685E-08
J1,K1,R1,R2,RAT=  11  11   -0.3438317124E-02     2.003429374        0.9965616829    
FOB,PFOB,DIAG,PSTEP=   -0.9179102816E-06   -0.9147650153E-06     589.6407194        0.1551400838E-08
J1,K1,R1,R2,RAT= 109 109   -0.5887033942E-02     2.006172261        0.9941129661    
FOB,PFOB,DIAG,PSTEP=   -0.5567522861E-04   -0.5534943109E-04     13.89971179        0.3981488212E-05
J1,K1,R1,R2,RAT= 110 110     2.028414591       -0.2767409617E-01    0.9723259038    
FOB,PFOB,DIAG,PSTEP=    0.3317799028E-04   -0.3228486645E-04     12.68482096        0.2544215451E-05
J1,K1,R1,R2,RAT= 111 111   -0.8217982610E-02     2.009555631        0.9917820174    
FOB,PFOB,DIAG,PSTEP=    0.8536132938E-04    0.8466601062E-04     11.68936216       -0.7238155564E-05
J1,K1,R1,R2,RAT= 112 112    0.7921447198E-02     1.991666395        0.9916663953    
FOB,PFOB,DIAG,PSTEP=   -0.2699542561E-04   -0.2721102070E-04     9.379797770        0.2901622203E-05
J1,K1,R1,R2,RAT= 113 113   -0.8710430560         51.87877943        0.1289569440    
FOB,PFOB,DIAG,PSTEP=   -0.1997336817E-02   -0.1931373889E-02     7.572866497        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -201.0925135        0.9990343124        0.9656876144E-03
FOB,PFOB,DIAG,PSTEP=   -0.1936675738        0.1917527926         4.791580248        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000     -0.00000      0.00001     -0.00000      0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000      0.00000     -0.00001 
     0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00001 
    -0.00000      0.00002      0.00001     -0.00001      0.00000      0.00002 
     0.00003     -0.00001      0.00001      0.00001     -0.00001      0.00001 
     0.00002     -0.00002      0.00001     -0.00000     -0.00002     -0.00001 
    -0.00000     -0.00002      0.00003     -0.00001      0.00003      0.00001 
     0.00002      0.00001     -0.00002      0.00003      0.00007      0.00003 
    -0.00002     -0.00003      0.00001      0.00000     -0.00007      0.00008 
    -0.00006      0.00003      0.00009     -0.00003     -0.00200     -0.19367 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4362674443
 Log product of positive Hessian eigenvalues =          520.4633114833
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7915802480
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000044
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000107
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000020
 Unscaled step for mode   17=       -0.0000000019
 Unscaled step for mode   18=       -0.0000000064
 Unscaled step for mode   19=       -0.0000000128
 Unscaled step for mode   20=       -0.0000000175
 Unscaled step for mode   21=       -0.0000000094
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000184
 Unscaled step for mode   26=        0.0000000277
 Unscaled step for mode   27=        0.0000000171
 Unscaled step for mode   28=       -0.0000000157
 Unscaled step for mode   29=        0.0000000171
 Unscaled step for mode   30=        0.0000000129
 Unscaled step for mode   31=        0.0000000041
 Unscaled step for mode   32=       -0.0000000003
 Unscaled step for mode   33=       -0.0000000119
 Unscaled step for mode   34=       -0.0000000054
 Unscaled step for mode   35=       -0.0000000367
 Unscaled step for mode   36=       -0.0000000054
 Unscaled step for mode   37=        0.0000000160
 Unscaled step for mode   38=        0.0000000094
 Unscaled step for mode   39=        0.0000000292
 Unscaled step for mode   40=       -0.0000000108
 Unscaled step for mode   41=       -0.0000000147
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=       -0.0000000062
 Unscaled step for mode   44=        0.0000000048
 Unscaled step for mode   45=       -0.0000000151
 Unscaled step for mode   46=       -0.0000000162
 Unscaled step for mode   47=        0.0000000492
 Unscaled step for mode   48=        0.0000000057
 Unscaled step for mode   49=       -0.0000000264
 Unscaled step for mode   50=        0.0000000223
 Unscaled step for mode   51=        0.0000000212
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000256
 Unscaled step for mode   54=       -0.0000000097
 Unscaled step for mode   55=       -0.0000000498
 Unscaled step for mode   56=        0.0000000190
 Unscaled step for mode   57=        0.0000000087
 Unscaled step for mode   58=       -0.0000000430
 Unscaled step for mode   59=        0.0000000277
 Unscaled step for mode   60=       -0.0000000465
 Unscaled step for mode   61=        0.0000000367
 Unscaled step for mode   62=        0.0000001179
 Unscaled step for mode   63=        0.0000000769
 Unscaled step for mode   64=        0.0000000143
 Unscaled step for mode   65=       -0.0000000130
 Unscaled step for mode   66=        0.0000000864
 Unscaled step for mode   67=       -0.0000000070
 Unscaled step for mode   68=        0.0000000240
 Unscaled step for mode   69=        0.0000000056
 Unscaled step for mode   70=        0.0000000395
 Unscaled step for mode   71=       -0.0000000012
 Unscaled step for mode   72=        0.0000001224
 Unscaled step for mode   73=        0.0000000401
 Unscaled step for mode   74=       -0.0000001576
 Unscaled step for mode   75=       -0.0000000932
 Unscaled step for mode   76=        0.0000001316
 Unscaled step for mode   77=       -0.0000000020
 Unscaled step for mode   78=       -0.0000002522
 Unscaled step for mode   79=       -0.0000002869
 Unscaled step for mode   80=        0.0000000639
 Unscaled step for mode   81=       -0.0000000854
 Unscaled step for mode   82=       -0.0000001571
 Unscaled step for mode   83=        0.0000001043
 Unscaled step for mode   84=       -0.0000001129
 Unscaled step for mode   85=       -0.0000002396
 Unscaled step for mode   86=        0.0000003160
 Unscaled step for mode   87=       -0.0000000921
 Unscaled step for mode   88=        0.0000000107
 Unscaled step for mode   89=        0.0000003059
 Unscaled step for mode   90=        0.0000001474
 Unscaled step for mode   91=        0.0000000212
 Unscaled step for mode   92=        0.0000003503
 Unscaled step for mode   93=       -0.0000005164
 Unscaled step for mode   94=        0.0000002204
 Unscaled step for mode   95=       -0.0000005319
 Unscaled step for mode   96=       -0.0000001527
 Unscaled step for mode   97=       -0.0000003473
 Unscaled step for mode   98=       -0.0000002809
 Unscaled step for mode   99=        0.0000004854
 Unscaled step for mode  100=       -0.0000007278
 Unscaled step for mode  101=       -0.0000021121
 Unscaled step for mode  102=       -0.0000010173
 Unscaled step for mode  103=        0.0000008321
 Unscaled step for mode  104=        0.0000011510
 Unscaled step for mode  105=       -0.0000005515
 Unscaled step for mode  106=       -0.0000001853
 Unscaled step for mode  107=        0.0000036910
 Unscaled step for mode  108=       -0.0000049103
 Unscaled step for mode  109=        0.0000040055
 Unscaled step for mode  110=       -0.0000026156
 Unscaled step for mode  111=       -0.0000073025
 Unscaled step for mode  112=        0.0000028780
 Unscaled step for mode  113=        0.0002637491
 Unscaled step for mode  114=       -0.0403524955
 Largest modulus ratio of non-zero e/values=           149.9238745    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.191253E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.262377E-16    0.100772E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.466792E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.613658E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.349113E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.192717E-16    0.973490E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.208848E-06    0.718372E+03 -0.290724E-09 0.100000E-04    0.970248E+00
   8   -0.480071E-06    0.670262E+03  0.716243E-09 0.100000E-04    0.992713E+00
   9    0.558880E-06    0.622933E+03 -0.897176E-09 0.100000E-04    0.996603E+00
  10    0.125663E-05    0.603027E+03 -0.208386E-08 0.100000E-04    0.993214E+00
  11   -0.917910E-06    0.589641E+03  0.155673E-08 0.100000E-04    0.996562E+00
  12    0.248256E-05    0.563652E+03 -0.440442E-08 0.100000E-04    0.997282E+00
  13    0.206174E-05    0.560861E+03 -0.367602E-08 0.100000E-04    0.998937E+00
  14   -0.510854E-05    0.477830E+03  0.106911E-07 0.100000E-04    0.996102E+00
  15    0.155484E-05    0.470726E+03 -0.330308E-08 0.100000E-04    0.998621E+00
  16    0.928414E-06    0.463607E+03 -0.200259E-08 0.100000E-04    0.981172E+00
  17    0.825081E-06    0.441577E+03 -0.186848E-08 0.100000E-04    0.976504E+00
  18    0.275367E-05    0.431918E+03 -0.637545E-08 0.100000E-04    0.995345E+00
  19    0.538633E-05    0.420212E+03 -0.128181E-07 0.100000E-04    0.991694E+00
  20    0.710019E-05    0.405482E+03 -0.175105E-07 0.100000E-04    0.994946E+00
  21    0.374638E-05    0.398443E+03 -0.940254E-08 0.100000E-04    0.991177E+00
  22   -0.610709E-06    0.388288E+03  0.157283E-08 0.100000E-04    0.977440E+00
  23   -0.198342E-05    0.366935E+03  0.540538E-08 0.100000E-04    0.999682E+00
  24    0.182270E-05    0.364158E+03 -0.500525E-08 0.100000E-04    0.997519E+00
  25   -0.649881E-05    0.352878E+03  0.184166E-07 0.100000E-04    0.992037E+00
  26   -0.954813E-05    0.344324E+03  0.277301E-07 0.100000E-04    0.990513E+00
  27   -0.554069E-05    0.324024E+03  0.170996E-07 0.100000E-04    0.996806E+00
  28    0.506254E-05    0.323457E+03 -0.156514E-07 0.100000E-04    0.993375E+00
  29   -0.544701E-05    0.318843E+03  0.170837E-07 0.100000E-04    0.988244E+00
  30   -0.407370E-05    0.316328E+03  0.128781E-07 0.100000E-04    0.988438E+00
  31   -0.126613E-05    0.305386E+03  0.414599E-08 0.100000E-04    0.986744E+00
  32    0.838837E-07    0.287299E+03 -0.291973E-09 0.100000E-04    0.858585E+00
  33    0.333716E-05    0.280008E+03 -0.119181E-07 0.100000E-04    0.990646E+00
  34    0.147400E-05    0.271667E+03 -0.542576E-08 0.100000E-04    0.985447E+00
  35    0.975875E-05    0.265793E+03 -0.367156E-07 0.100000E-04    0.991915E+00
  36    0.141042E-05    0.261982E+03 -0.538367E-08 0.100000E-04    0.980839E+00
  37   -0.412635E-05    0.257660E+03  0.160147E-07 0.100000E-04    0.990711E+00
  38   -0.237338E-05    0.253375E+03  0.936704E-08 0.100000E-04    0.995810E+00
  39   -0.712233E-05    0.244327E+03  0.291508E-07 0.100000E-04    0.990224E+00
  40    0.259311E-05    0.239674E+03 -0.108193E-07 0.100000E-04    0.981759E+00
  41    0.345107E-05    0.234048E+03 -0.147451E-07 0.100000E-04    0.982978E+00
  42   -0.164925E-05    0.228445E+03  0.721948E-08 0.100000E-04    0.986036E+00
  43    0.139424E-05    0.225047E+03 -0.619534E-08 0.100000E-04    0.991745E+00
  44   -0.101397E-05    0.212859E+03  0.476355E-08 0.100000E-04    0.975961E+00
  45    0.318755E-05    0.211122E+03 -0.150981E-07 0.100000E-04    0.996336E+00
  46    0.340049E-05    0.209972E+03 -0.161950E-07 0.100000E-04    0.984884E+00
  47   -0.998580E-05    0.202870E+03  0.492227E-07 0.100000E-04    0.990925E+00
  48   -0.113571E-05    0.198667E+03  0.571664E-08 0.100000E-04    0.993756E+00
  49    0.515378E-05    0.195292E+03 -0.263902E-07 0.100000E-04    0.989167E+00
  50   -0.426553E-05    0.191658E+03  0.222560E-07 0.100000E-04    0.989519E+00
  51   -0.395268E-05    0.186477E+03  0.211966E-07 0.100000E-04    0.992616E+00
  52    0.460010E-06    0.178457E+03 -0.257771E-08 0.100000E-04    0.998410E+00
  53   -0.436260E-05    0.170680E+03  0.255601E-07 0.100000E-04    0.993772E+00
  54    0.163680E-05    0.168141E+03 -0.973466E-08 0.100000E-04    0.984394E+00
  55    0.826103E-05    0.165774E+03 -0.498332E-07 0.100000E-04    0.992076E+00
  56   -0.305835E-05    0.160658E+03  0.190364E-07 0.100000E-04    0.989572E+00
  57   -0.133715E-05    0.153830E+03  0.869236E-08 0.100000E-04    0.996510E+00
  58    0.649500E-05    0.151061E+03 -0.429959E-07 0.100000E-04    0.990927E+00
  59   -0.410516E-05    0.148455E+03  0.276525E-07 0.100000E-04    0.993592E+00
  60    0.662344E-05    0.142480E+03 -0.464866E-07 0.100000E-04    0.992951E+00
  61   -0.502715E-05    0.136896E+03  0.367223E-07 0.100000E-04    0.989158E+00
  62   -0.158701E-04    0.134623E+03  0.117886E-06 0.100000E-04    0.992115E+00
  63   -0.100814E-04    0.131024E+03  0.769432E-07 0.100000E-04    0.990538E+00
  64   -0.183067E-05    0.127701E+03  0.143356E-07 0.100000E-04    0.986764E+00
  65    0.163061E-05    0.125656E+03 -0.129768E-07 0.100000E-04    0.997666E+00
  66   -0.107517E-04    0.124436E+03  0.864032E-07 0.100000E-04    0.990480E+00
  67    0.834303E-06    0.119422E+03 -0.698619E-08 0.100000E-04    0.999486E+00
  68   -0.283352E-05    0.117973E+03  0.240183E-07 0.100000E-04    0.989463E+00
  69   -0.646007E-06    0.116319E+03  0.555377E-08 0.100000E-04    0.976768E+00
  70   -0.445765E-05    0.112767E+03  0.395298E-07 0.100000E-04    0.986660E+00
  71    0.134546E-06    0.110325E+03 -0.121954E-08 0.100000E-04    0.931277E+00
  72   -0.129298E-04    0.105639E+03  0.122396E-06 0.100000E-04    0.988466E+00
  73   -0.412830E-05    0.102827E+03  0.401479E-07 0.100000E-04    0.983491E+00
  74    0.158528E-04    0.100588E+03 -0.157601E-06 0.100000E-04    0.990683E+00
  75    0.906564E-05    0.972286E+02 -0.932404E-07 0.100000E-04    0.988079E+00
  76   -0.125068E-04    0.950269E+02  0.131614E-06 0.100000E-04    0.990138E+00
  77    0.185907E-06    0.914291E+02 -0.203335E-08 0.100000E-04    0.952404E+00
  78    0.228203E-04    0.904993E+02 -0.252160E-06 0.100000E-04    0.990666E+00
  79    0.252330E-04    0.879554E+02 -0.286884E-06 0.100000E-04    0.993082E+00
  80   -0.539867E-05    0.844492E+02  0.639281E-07 0.100000E-04    0.988021E+00
  81    0.690983E-05    0.808937E+02 -0.854186E-07 0.100000E-04    0.989118E+00
  82    0.124200E-04    0.790382E+02 -0.157140E-06 0.100000E-04    0.990529E+00
  83   -0.820827E-05    0.787279E+02  0.104261E-06 0.100000E-04    0.995502E+00
  84    0.824870E-05    0.730767E+02 -0.112877E-06 0.100000E-04    0.986841E+00
  85    0.170782E-04    0.712780E+02 -0.239599E-06 0.100000E-04    0.990621E+00
  86   -0.219772E-04    0.695539E+02  0.315973E-06 0.100000E-04    0.991512E+00
  87    0.622842E-05    0.676095E+02 -0.921234E-07 0.100000E-04    0.999690E+00
  88   -0.679502E-06    0.635897E+02  0.106857E-07 0.100000E-04    0.946072E+00
  89   -0.190679E-04    0.623302E+02  0.305918E-06 0.100000E-04    0.990411E+00
  90   -0.879493E-05    0.596611E+02  0.147415E-06 0.100000E-04    0.987247E+00
  91   -0.124033E-05    0.585179E+02  0.211957E-07 0.100000E-04    0.993204E+00
  92   -0.195560E-04    0.558271E+02  0.350297E-06 0.100000E-04    0.989072E+00
  93    0.277150E-04    0.536702E+02 -0.516394E-06 0.100000E-04    0.992345E+00
  94   -0.115363E-04    0.523341E+02  0.220436E-06 0.100000E-04    0.986163E+00
  95    0.267535E-04    0.502957E+02 -0.531925E-06 0.100000E-04    0.993379E+00
  96    0.733254E-05    0.480302E+02 -0.152665E-06 0.100000E-04    0.995389E+00
  97    0.151880E-04    0.437329E+02 -0.347291E-06 0.100000E-04    0.989843E+00
  98    0.111695E-04    0.397600E+02 -0.280923E-06 0.100000E-04    0.992077E+00
  99   -0.182664E-04    0.376343E+02  0.485364E-06 0.100000E-04    0.981911E+00
 100    0.263102E-04    0.361513E+02 -0.727779E-06 0.100000E-04    0.992379E+00
 101    0.731642E-04    0.346408E+02 -0.211208E-05 0.100000E-04    0.991539E+00
 102    0.302329E-04    0.297190E+02 -0.101729E-05 0.100000E-04    0.990021E+00
 103   -0.241360E-04    0.290074E+02  0.832063E-06 0.100000E-04    0.990941E+00
 104   -0.330402E-04    0.287064E+02  0.115097E-05 0.100000E-04    0.991906E+00
 105    0.129808E-04    0.235374E+02 -0.551498E-06 0.100000E-04    0.986342E+00
 106    0.405586E-05    0.218832E+02 -0.185341E-06 0.100000E-04    0.974504E+00
 107   -0.723286E-04    0.195961E+02  0.369097E-05 0.100000E-04    0.989383E+00
 108    0.813553E-04    0.165685E+02 -0.491025E-05 0.100000E-04    0.997567E+00
 109   -0.556752E-04    0.138997E+02  0.400550E-05 0.100000E-04    0.994113E+00
 110    0.331780E-04    0.126848E+02 -0.261557E-05 0.100000E-04    0.972326E+00
 111    0.853613E-04    0.116894E+02 -0.730248E-05 0.100000E-04    0.991782E+00
 112   -0.269954E-04    0.937980E+01  0.287804E-05 0.100000E-04    0.991666E+00
 113   -0.199734E-02    0.757287E+01  0.109000E-04 0.109000E-04    0.128957E+00
 114   -0.193668E+00    0.479158E+01 -0.400000E-03 0.400000E-03    0.965688E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4035249547E-01

 Beginning of optimization cycle   82.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3990460319
 potential> RMS force:                                               0.0183190330   |gradient|=.1955937490    
 Eigenvalues of the Hessian matrix:
   718.43148    670.28114    622.95722    603.04560    589.64317    563.67431 
   560.89870    477.84461    470.70336    463.59497    441.57395    431.90683 
   420.21953    405.49297    398.43976    388.29284    366.93578    364.14777 
   352.86760    344.28327    324.02881    323.42931    318.83550    316.34718 
   305.38484    287.30063    280.00506    271.65969    265.79175    261.98902 
   257.66122    253.37605    244.31233    239.66369    234.05775    228.44763 
   225.02841    212.85374    211.12267    209.96636    202.87182    198.66203 
   195.29495    191.65618    186.47324    178.44182    170.68056    168.14068 
   165.77226    160.65550    153.82384    151.06052    148.46231    142.48506 
   136.89706    134.62699    131.02375    127.70020    125.65953    124.44414 
   119.42176    117.97228    116.32255    112.75993    110.31792    105.63530 
   102.82695    100.58388     97.22848     95.02776     91.42256     90.50463 
    87.96668     84.45008     80.89320     79.04088     78.72683     73.07379 
    71.28105     69.54539     67.61321     63.58567     62.32590     59.66110 
    58.52096     55.82676     53.66887     52.33239     50.29613     48.02956 
    43.72839     39.76308     37.62645     36.15338     34.64709     29.70951 
    29.00616     28.70693     23.53189     21.88408     19.59494     16.57209 
    13.89774     12.68016     11.68145      9.38173      7.57391      4.79283 
overlap for current and previous eigenvector    109 is         0.9999949938
overlap for current and previous eigenvector    110 is         0.9999898267
overlap for current and previous eigenvector    111 is         0.9999870071
overlap for current and previous eigenvector    112 is         0.9999996202
overlap for current and previous eigenvector    113 is         0.9999992981
overlap for current and previous eigenvector    114 is         0.9999992256
J1,K1,R1,R2,RAT=   7   7    0.1513459752E-01     1.984700595        0.9847005952    
FOB,PFOB,DIAG,PSTEP=    0.2056871251E-06    0.2088482193E-06     718.4314769       -0.2907242198E-09
J1,K1,R1,R2,RAT=   8   8   -0.4123529612E-01     2.041179181        0.9587647039    
FOB,PFOB,DIAG,PSTEP=   -0.4998671893E-06   -0.4800707734E-06     670.2811381        0.7162431048E-09
J1,K1,R1,R2,RAT=   9   9   -0.1730365268E-01     2.017225433        0.9826963473    
FOB,PFOB,DIAG,PSTEP=    0.5685514816E-06    0.5588804305E-06     622.9572213       -0.8971760340E-09
J1,K1,R1,R2,RAT=  10  10   -0.1161000535E-02     2.001098316        0.9988389995    
FOB,PFOB,DIAG,PSTEP=    0.1258084877E-05    0.1256625888E-05     603.0456028       -0.2083864419E-08
J1,K1,R1,R2,RAT=  11  11   -0.7598040539E-03     2.000751478        0.9992401959    
FOB,PFOB,DIAG,PSTEP=   -0.9186077165E-06   -0.9179102816E-06     589.6431743        0.1556728108E-08
J1,K1,R1,R2,RAT= 109 109   -0.6183156640E-02     2.006466460        0.9938168434    
FOB,PFOB,DIAG,PSTEP=   -0.5601942851E-04   -0.5567522861E-04     13.89774315        0.4005495182E-05
J1,K1,R1,R2,RAT= 110 110   -0.1937988489E-01     2.020115084        0.9806201151    
FOB,PFOB,DIAG,PSTEP=    0.3382073963E-04    0.3317799028E-04     12.68015974       -0.2615566304E-05
J1,K1,R1,R2,RAT= 111 111   -0.1052858977E-01     2.011882445        0.9894714102    
FOB,PFOB,DIAG,PSTEP=    0.8625945583E-04    0.8536132938E-04     11.68145467       -0.7302479654E-05
J1,K1,R1,R2,RAT= 112 112    0.1789947312E-02     1.997797457        0.9977974575    
FOB,PFOB,DIAG,PSTEP=   -0.2694709525E-04   -0.2699542561E-04     9.381733199        0.2878039193E-05
J1,K1,R1,R2,RAT= 113 113   -0.7240313596         49.11171185        0.2759686404    
FOB,PFOB,DIAG,PSTEP=   -0.2057109655E-02   -0.1997336817E-02     7.573907572        0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9990192389        -203.0378442        0.9807610810E-03
FOB,PFOB,DIAG,PSTEP=   -0.1955828258       -0.1936675738         4.792830632       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00001     -0.00000     -0.00000      0.00001     -0.00000      0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00002      0.00001     -0.00001      0.00000      0.00002 
     0.00003     -0.00001     -0.00001     -0.00001     -0.00001      0.00001 
     0.00002     -0.00002      0.00001     -0.00000     -0.00002     -0.00001 
     0.00000      0.00002     -0.00003      0.00001     -0.00003     -0.00001 
     0.00002      0.00001     -0.00002      0.00003      0.00007      0.00003 
    -0.00002     -0.00003      0.00001     -0.00000      0.00007      0.00008 
    -0.00006      0.00003      0.00009     -0.00003     -0.00206     -0.19558 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4363264328
 Log product of positive Hessian eigenvalues =          520.4619962134
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7928306317
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000044
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000107
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000020
 Unscaled step for mode   17=       -0.0000000019
 Unscaled step for mode   18=       -0.0000000064
 Unscaled step for mode   19=       -0.0000000129
 Unscaled step for mode   20=       -0.0000000176
 Unscaled step for mode   21=       -0.0000000095
 Unscaled step for mode   22=        0.0000000015
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000186
 Unscaled step for mode   26=        0.0000000280
 Unscaled step for mode   27=        0.0000000172
 Unscaled step for mode   28=       -0.0000000158
 Unscaled step for mode   29=        0.0000000173
 Unscaled step for mode   30=        0.0000000130
 Unscaled step for mode   31=        0.0000000042
 Unscaled step for mode   32=       -0.0000000003
 Unscaled step for mode   33=       -0.0000000120
 Unscaled step for mode   34=       -0.0000000055
 Unscaled step for mode   35=       -0.0000000371
 Unscaled step for mode   36=       -0.0000000055
 Unscaled step for mode   37=        0.0000000162
 Unscaled step for mode   38=        0.0000000095
 Unscaled step for mode   39=        0.0000000294
 Unscaled step for mode   40=       -0.0000000111
 Unscaled step for mode   41=       -0.0000000150
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000063
 Unscaled step for mode   44=        0.0000000050
 Unscaled step for mode   45=       -0.0000000152
 Unscaled step for mode   46=       -0.0000000165
 Unscaled step for mode   47=        0.0000000498
 Unscaled step for mode   48=        0.0000000057
 Unscaled step for mode   49=       -0.0000000267
 Unscaled step for mode   50=        0.0000000224
 Unscaled step for mode   51=        0.0000000214
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000258
 Unscaled step for mode   54=       -0.0000000099
 Unscaled step for mode   55=       -0.0000000503
 Unscaled step for mode   56=        0.0000000191
 Unscaled step for mode   57=        0.0000000088
 Unscaled step for mode   58=       -0.0000000433
 Unscaled step for mode   59=        0.0000000280
 Unscaled step for mode   60=       -0.0000000471
 Unscaled step for mode   61=        0.0000000370
 Unscaled step for mode   62=        0.0000001188
 Unscaled step for mode   63=        0.0000000775
 Unscaled step for mode   64=        0.0000000146
 Unscaled step for mode   65=        0.0000000129
 Unscaled step for mode   66=        0.0000000871
 Unscaled step for mode   67=        0.0000000071
 Unscaled step for mode   68=       -0.0000000243
 Unscaled step for mode   69=       -0.0000000055
 Unscaled step for mode   70=       -0.0000000402
 Unscaled step for mode   71=        0.0000000012
 Unscaled step for mode   72=        0.0000001235
 Unscaled step for mode   73=        0.0000000409
 Unscaled step for mode   74=       -0.0000001589
 Unscaled step for mode   75=       -0.0000000946
 Unscaled step for mode   76=        0.0000001329
 Unscaled step for mode   77=       -0.0000000023
 Unscaled step for mode   78=       -0.0000002551
 Unscaled step for mode   79=       -0.0000002887
 Unscaled step for mode   80=        0.0000000648
 Unscaled step for mode   81=        0.0000000862
 Unscaled step for mode   82=        0.0000001583
 Unscaled step for mode   83=        0.0000001042
 Unscaled step for mode   84=       -0.0000001140
 Unscaled step for mode   85=       -0.0000002414
 Unscaled step for mode   86=        0.0000003187
 Unscaled step for mode   87=       -0.0000000917
 Unscaled step for mode   88=        0.0000000106
 Unscaled step for mode   89=        0.0000003085
 Unscaled step for mode   90=        0.0000001485
 Unscaled step for mode   91=       -0.0000000209
 Unscaled step for mode   92=       -0.0000003548
 Unscaled step for mode   93=        0.0000005195
 Unscaled step for mode   94=       -0.0000002226
 Unscaled step for mode   95=        0.0000005348
 Unscaled step for mode   96=        0.0000001538
 Unscaled step for mode   97=       -0.0000003502
 Unscaled step for mode   98=       -0.0000002832
 Unscaled step for mode   99=        0.0000004917
 Unscaled step for mode  100=       -0.0000007318
 Unscaled step for mode  101=       -0.0000021296
 Unscaled step for mode  102=       -0.0000010231
 Unscaled step for mode  103=        0.0000008385
 Unscaled step for mode  104=        0.0000011564
 Unscaled step for mode  105=       -0.0000005614
 Unscaled step for mode  106=        0.0000001789
 Unscaled step for mode  107=       -0.0000037212
 Unscaled step for mode  108=       -0.0000049238
 Unscaled step for mode  109=        0.0000040308
 Unscaled step for mode  110=       -0.0000026672
 Unscaled step for mode  111=       -0.0000073843
 Unscaled step for mode  112=        0.0000028723
 Unscaled step for mode  113=        0.0002716048
 Unscaled step for mode  114=       -0.0407396439
 Largest modulus ratio of non-zero e/values=           149.8971134    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.299240E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.182796E-15    0.100772E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.944340E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.227140E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.858466E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.982721E-15    0.973492E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.205687E-06    0.718431E+03 -0.286300E-09 0.100000E-04    0.984701E+00
   8   -0.499867E-06    0.670281E+03  0.745758E-09 0.100000E-04    0.958765E+00
   9    0.568551E-06    0.622957E+03 -0.912665E-09 0.100000E-04    0.982696E+00
  10    0.125808E-05    0.603046E+03 -0.208622E-08 0.100000E-04    0.998839E+00
  11   -0.918608E-06    0.589643E+03  0.155790E-08 0.100000E-04    0.999240E+00
  12    0.249893E-05    0.563674E+03 -0.443328E-08 0.100000E-04    0.993406E+00
  13    0.205163E-05    0.560899E+03 -0.365775E-08 0.100000E-04    0.994962E+00
  14   -0.512511E-05    0.477845E+03  0.107255E-07 0.100000E-04    0.996755E+00
  15    0.156551E-05    0.470703E+03 -0.332590E-08 0.100000E-04    0.993138E+00
  16    0.936665E-06    0.463595E+03 -0.202044E-08 0.100000E-04    0.991112E+00
  17    0.830563E-06    0.441574E+03 -0.188092E-08 0.100000E-04    0.993355E+00
  18    0.277333E-05    0.431907E+03 -0.642114E-08 0.100000E-04    0.992859E+00
  19    0.542790E-05    0.420220E+03 -0.129168E-07 0.100000E-04    0.992282E+00
  20    0.712744E-05    0.405493E+03 -0.175772E-07 0.100000E-04    0.996162E+00
  21    0.377493E-05    0.398440E+03 -0.947429E-08 0.100000E-04    0.992378E+00
  22   -0.599474E-06    0.388293E+03  0.154387E-08 0.100000E-04    0.981576E+00
  23   -0.198276E-05    0.366936E+03  0.540355E-08 0.100000E-04    0.999661E+00
  24    0.182758E-05    0.364148E+03 -0.501879E-08 0.100000E-04    0.997323E+00
  25   -0.655364E-05    0.352868E+03  0.185725E-07 0.100000E-04    0.991562E+00
  26   -0.963799E-05    0.344283E+03  0.279944E-07 0.100000E-04    0.990588E+00
  27   -0.556851E-05    0.324029E+03  0.171852E-07 0.100000E-04    0.994978E+00
  28    0.509818E-05    0.323429E+03 -0.157629E-07 0.100000E-04    0.992961E+00
  29   -0.552844E-05    0.318836E+03  0.173395E-07 0.100000E-04    0.985052E+00
  30   -0.411720E-05    0.316347E+03  0.130148E-07 0.100000E-04    0.989320E+00
  31   -0.129532E-05    0.305385E+03  0.424161E-08 0.100000E-04    0.976942E+00
  32    0.749006E-07    0.287301E+03 -0.260705E-09 0.100000E-04    0.892902E+00
  33    0.336417E-05    0.280005E+03 -0.120147E-07 0.100000E-04    0.991905E+00
  34    0.148125E-05    0.271660E+03 -0.545258E-08 0.100000E-04    0.995083E+00
  35    0.985172E-05    0.265792E+03 -0.370656E-07 0.100000E-04    0.990472E+00
  36    0.142960E-05    0.261989E+03 -0.545672E-08 0.100000E-04    0.986404E+00
  37   -0.416968E-05    0.257661E+03  0.161828E-07 0.100000E-04    0.989497E+00
  38   -0.239647E-05    0.253376E+03  0.945817E-08 0.100000E-04    0.990269E+00
  39   -0.718469E-05    0.244312E+03  0.294078E-07 0.100000E-04    0.991244E+00
  40    0.264888E-05    0.239664E+03 -0.110525E-07 0.100000E-04    0.978494E+00
  41    0.350709E-05    0.234058E+03 -0.149839E-07 0.100000E-04    0.983768E+00
  42   -0.167425E-05    0.228448E+03  0.732882E-08 0.100000E-04    0.984843E+00
  43    0.141721E-05    0.225028E+03 -0.629793E-08 0.100000E-04    0.983522E+00
  44   -0.107025E-05    0.212854E+03  0.502811E-08 0.100000E-04    0.944489E+00
  45    0.320946E-05    0.211123E+03 -0.152019E-07 0.100000E-04    0.993128E+00
  46    0.347202E-05    0.209966E+03 -0.165361E-07 0.100000E-04    0.978964E+00
  47   -0.100976E-04    0.202872E+03  0.497731E-07 0.100000E-04    0.988807E+00
  48   -0.113049E-05    0.198662E+03  0.569052E-08 0.100000E-04    0.995407E+00
  49    0.521912E-05    0.195295E+03 -0.267243E-07 0.100000E-04    0.987323E+00
  50   -0.429332E-05    0.191656E+03  0.224012E-07 0.100000E-04    0.993484E+00
  51   -0.399694E-05    0.186473E+03  0.214344E-07 0.100000E-04    0.988802E+00
  52    0.459876E-06    0.178442E+03 -0.257718E-08 0.100000E-04    0.999709E+00
  53   -0.440449E-05    0.170681E+03  0.258054E-07 0.100000E-04    0.990398E+00
  54    0.167077E-05    0.168141E+03 -0.993676E-08 0.100000E-04    0.979242E+00
  55    0.833630E-05    0.165772E+03 -0.502877E-07 0.100000E-04    0.990889E+00
  56   -0.307535E-05    0.160655E+03  0.191425E-07 0.100000E-04    0.994440E+00
  57   -0.135357E-05    0.153824E+03  0.879947E-08 0.100000E-04    0.987718E+00
  58    0.654467E-05    0.151061E+03 -0.433248E-07 0.100000E-04    0.992353E+00
  59   -0.415705E-05    0.148462E+03  0.280007E-07 0.100000E-04    0.987359E+00
  60    0.670619E-05    0.142485E+03 -0.470659E-07 0.100000E-04    0.987507E+00
  61   -0.507012E-05    0.136897E+03  0.370360E-07 0.100000E-04    0.991451E+00
  62   -0.159917E-04    0.134627E+03  0.118785E-06 0.100000E-04    0.992337E+00
  63   -0.101532E-04    0.131024E+03  0.774910E-07 0.100000E-04    0.992886E+00
  64   -0.185986E-05    0.127700E+03  0.145643E-07 0.100000E-04    0.984056E+00
  65   -0.161866E-05    0.125660E+03  0.128813E-07 0.100000E-04    0.992615E+00
  66   -0.108435E-04    0.124444E+03  0.871355E-07 0.100000E-04    0.991463E+00
  67   -0.845933E-06    0.119422E+03  0.708357E-08 0.100000E-04    0.986061E+00
  68    0.286154E-05    0.117972E+03 -0.242561E-07 0.100000E-04    0.990109E+00
  69    0.636155E-06    0.116323E+03 -0.546889E-08 0.100000E-04    0.984681E+00
  70    0.453420E-05    0.112760E+03 -0.402111E-07 0.100000E-04    0.982826E+00
  71   -0.131968E-06    0.110318E+03  0.119625E-08 0.100000E-04    0.980836E+00
  72   -0.130449E-04    0.105635E+03  0.123490E-06 0.100000E-04    0.991098E+00
  73   -0.420169E-05    0.102827E+03  0.408617E-07 0.100000E-04    0.982223E+00
  74    0.159786E-04    0.100584E+03 -0.158859E-06 0.100000E-04    0.992062E+00
  75    0.919910E-05    0.972285E+02 -0.946132E-07 0.100000E-04    0.985278E+00
  76   -0.126328E-04    0.950278E+02  0.132937E-06 0.100000E-04    0.989932E+00
  77    0.207030E-06    0.914226E+02 -0.226454E-08 0.100000E-04    0.886371E+00
  78    0.230855E-04    0.905046E+02 -0.255075E-06 0.100000E-04    0.988382E+00
  79    0.253987E-04    0.879667E+02 -0.288731E-06 0.100000E-04    0.993436E+00
  80   -0.546852E-05    0.844501E+02  0.647545E-07 0.100000E-04    0.987063E+00
  81   -0.697557E-05    0.808932E+02  0.862318E-07 0.100000E-04    0.990487E+00
  82   -0.125159E-04    0.790409E+02  0.158347E-06 0.100000E-04    0.992282E+00
  83   -0.820306E-05    0.787268E+02  0.104197E-06 0.100000E-04    0.999365E+00
  84    0.833097E-05    0.730738E+02 -0.114008E-06 0.100000E-04    0.990026E+00
  85    0.172067E-04    0.712811E+02 -0.241393E-06 0.100000E-04    0.992472E+00
  86   -0.221626E-04    0.695454E+02  0.318678E-06 0.100000E-04    0.991562E+00
  87    0.619904E-05    0.676132E+02 -0.916839E-07 0.100000E-04    0.995175E+00
  88   -0.672951E-06    0.635857E+02  0.105834E-07 0.100000E-04    0.990359E+00
  89   -0.192276E-04    0.623259E+02  0.308501E-06 0.100000E-04    0.991626E+00
  90   -0.886021E-05    0.596611E+02  0.148509E-06 0.100000E-04    0.992578E+00
  91    0.122579E-05    0.585210E+02 -0.209461E-07 0.100000E-04    0.988168E+00
  92    0.198053E-04    0.558268E+02 -0.354763E-06 0.100000E-04    0.987255E+00
  93   -0.278830E-04    0.536689E+02  0.519538E-06 0.100000E-04    0.993936E+00
  94    0.116483E-04    0.523324E+02 -0.222583E-06 0.100000E-04    0.990294E+00
  95   -0.269008E-04    0.502961E+02  0.534848E-06 0.100000E-04    0.994494E+00
  96   -0.738908E-05    0.480296E+02  0.153844E-06 0.100000E-04    0.992290E+00
  97    0.153142E-04    0.437284E+02 -0.350213E-06 0.100000E-04    0.991691E+00
  98    0.112598E-04    0.397631E+02 -0.283171E-06 0.100000E-04    0.991919E+00
  99   -0.185004E-04    0.376264E+02  0.491685E-06 0.100000E-04    0.987187E+00
 100    0.264576E-04    0.361534E+02 -0.731816E-06 0.100000E-04    0.994395E+00
 101    0.737857E-04    0.346471E+02 -0.212964E-05 0.100000E-04    0.991507E+00
 102    0.303970E-04    0.297095E+02 -0.102314E-05 0.100000E-04    0.994570E+00
 103   -0.243224E-04    0.290062E+02  0.838525E-06 0.100000E-04    0.992276E+00
 104   -0.331980E-04    0.287069E+02  0.115645E-05 0.100000E-04    0.995225E+00
 105    0.132099E-04    0.235319E+02 -0.561360E-06 0.100000E-04    0.982350E+00
 106   -0.391407E-05    0.218841E+02  0.178855E-06 0.100000E-04    0.964966E+00
 107    0.729163E-04    0.195949E+02 -0.372118E-05 0.100000E-04    0.991874E+00
 108    0.815975E-04    0.165721E+02 -0.492379E-05 0.100000E-04    0.997024E+00
 109   -0.560194E-04    0.138977E+02  0.403083E-05 0.100000E-04    0.993817E+00
 110    0.338207E-04    0.126802E+02 -0.266722E-05 0.100000E-04    0.980620E+00
 111    0.862595E-04    0.116815E+02 -0.738431E-05 0.100000E-04    0.989471E+00
 112   -0.269471E-04    0.938173E+01  0.287229E-05 0.100000E-04    0.997797E+00
 113   -0.205711E-02    0.757391E+01  0.100000E-04 0.100000E-04    0.275969E+00
 114   -0.195583E+00    0.479283E+01 -0.400000E-03 0.400000E-03    0.980761E-03
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4073964393E-01

 Beginning of optimization cycle   83.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3989674365
 potential> RMS force:                                               0.0184985121   |gradient|=.1975100613    
 Eigenvalues of the Hessian matrix:
   718.49074    670.29995    622.98153    603.06427    589.64562    563.69655 
   560.93678    477.85959    470.68120    463.58289    441.57054    431.89585 
   420.22719    405.50367    398.43625    388.29797    366.93639    364.13725 
   352.85724    344.24275    324.03393    323.40211    318.82816    316.36632 
   305.38337    287.30201    280.00172    271.65242    265.79032    261.99581 
   257.66218    253.37684    244.29724    239.65298    234.06754    228.45044 
   225.00999    212.84808    211.12355    209.96068    202.87373    198.65695 
   195.29813    191.65488    186.46927    178.42698    170.68131    168.14007 
   165.77096    160.65286    153.81776    151.05996    148.46934    142.48967 
   136.89771    134.63122    131.02314    127.69955    125.66302    124.45184 
   119.42171    117.97129    116.32659    112.75314    110.31096    105.63138 
   102.82669    100.57959     97.22832     95.02865     91.41605     90.50997 
    87.97795     84.45101     80.89267     79.04361     78.72571     73.07091 
    71.28416     69.53683     67.61694     63.58170     62.32153     59.66106 
    58.52409     55.82646     53.66753     52.33076     50.29657     48.02890 
    43.72388     39.76612     37.61857     36.15552     34.65348     29.70001 
    29.00495     28.70741     23.52642     21.88491     19.59386     16.57570 
    13.89580     12.67553     11.67349      9.38366      7.57495      4.79405 
overlap for current and previous eigenvector    109 is         0.9999950674
overlap for current and previous eigenvector    110 is        -0.9999898968
overlap for current and previous eigenvector    111 is         0.9999870644
overlap for current and previous eigenvector    112 is         0.9999996180
overlap for current and previous eigenvector    113 is         0.9999992948
overlap for current and previous eigenvector    114 is        -0.9999992286
J1,K1,R1,R2,RAT=   7   7    0.3191411918E-01     1.967920907        0.9679209065    
FOB,PFOB,DIAG,PSTEP=    0.1991222602E-06    0.2056871251E-06     718.4907432       -0.2863002690E-09
J1,K1,R1,R2,RAT=   8   8   -0.7163932778E-02     2.007107799        0.9928360672    
FOB,PFOB,DIAG,PSTEP=   -0.5034483048E-06   -0.4998671893E-06     670.2999515        0.7457575052E-09
J1,K1,R1,R2,RAT=   9   9    0.3379300859E-02     1.996542672        0.9965426717    
FOB,PFOB,DIAG,PSTEP=    0.5666301001E-06    0.5685514816E-06     622.9815261       -0.9126653679E-09
J1,K1,R1,R2,RAT=  10  10   -0.6720583301E-02     2.006658687        0.9932794167    
FOB,PFOB,DIAG,PSTEP=    0.1266540203E-05    0.1258084877E-05     603.0642665       -0.2086218473E-08
J1,K1,R1,R2,RAT=  11  11   -0.3374451496E-02     2.003366159        0.9966255485    
FOB,PFOB,DIAG,PSTEP=   -0.9217075265E-06   -0.9186077165E-06     589.6456190        0.1557904435E-08
J1,K1,R1,R2,RAT= 109 109   -0.5715309769E-02     2.005994936        0.9942846902    
FOB,PFOB,DIAG,PSTEP=   -0.5633955214E-04   -0.5601942851E-04     13.89580034        0.4030829171E-05
J1,K1,R1,R2,RAT= 110 110     2.027736484       -0.2700555394E-01    0.9729944461    
FOB,PFOB,DIAG,PSTEP=   -0.3473375377E-04    0.3382073963E-04     12.67552728       -0.2667217158E-05
J1,K1,R1,R2,RAT= 111 111   -0.7911485830E-02     2.009276824        0.9920885142    
FOB,PFOB,DIAG,PSTEP=    0.8694143073E-04    0.8625945583E-04     11.67348554       -0.7384307715E-05
J1,K1,R1,R2,RAT= 112 112    0.8499360384E-02     1.991089424        0.9910894235    
FOB,PFOB,DIAG,PSTEP=   -0.2671801507E-04   -0.2694709525E-04     9.383662556        0.2872293922E-05
J1,K1,R1,R2,RAT= 113 113   -0.8932793863         55.20675662        0.1067206137    
FOB,PFOB,DIAG,PSTEP=   -0.2124775131E-02   -0.2057109655E-02     7.574951042        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -204.9839771        0.9989989341        0.1001065890E-02
FOB,PFOB,DIAG,PSTEP=    0.1974985260       -0.1955828258         4.794049727       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
    -0.00001     -0.00002      0.00001      0.00000      0.00000     -0.00001 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00001 
    -0.00000      0.00002      0.00001     -0.00001      0.00000     -0.00002 
    -0.00003     -0.00001      0.00001     -0.00001     -0.00001      0.00001 
     0.00002      0.00002      0.00001     -0.00000     -0.00002      0.00001 
    -0.00000      0.00002     -0.00003      0.00001      0.00003      0.00001 
     0.00002     -0.00001      0.00002     -0.00003      0.00007      0.00003 
    -0.00002     -0.00003      0.00001      0.00000     -0.00007      0.00008 
    -0.00006     -0.00003      0.00009     -0.00003     -0.00212      0.19750 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4363824137
 Log product of positive Hessian eigenvalues =          520.4606798757
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7940497268
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000008
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000044
 Unscaled step for mode   13=       -0.0000000037
 Unscaled step for mode   14=        0.0000000108
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000021
 Unscaled step for mode   17=       -0.0000000019
 Unscaled step for mode   18=       -0.0000000065
 Unscaled step for mode   19=       -0.0000000130
 Unscaled step for mode   20=       -0.0000000177
 Unscaled step for mode   21=       -0.0000000096
 Unscaled step for mode   22=        0.0000000015
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000187
 Unscaled step for mode   26=        0.0000000283
 Unscaled step for mode   27=        0.0000000173
 Unscaled step for mode   28=       -0.0000000158
 Unscaled step for mode   29=        0.0000000175
 Unscaled step for mode   30=        0.0000000132
 Unscaled step for mode   31=        0.0000000043
 Unscaled step for mode   32=       -0.0000000002
 Unscaled step for mode   33=       -0.0000000121
 Unscaled step for mode   34=       -0.0000000055
 Unscaled step for mode   35=       -0.0000000374
 Unscaled step for mode   36=       -0.0000000056
 Unscaled step for mode   37=        0.0000000163
 Unscaled step for mode   38=        0.0000000095
 Unscaled step for mode   39=        0.0000000297
 Unscaled step for mode   40=       -0.0000000113
 Unscaled step for mode   41=       -0.0000000152
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000064
 Unscaled step for mode   44=        0.0000000051
 Unscaled step for mode   45=       -0.0000000153
 Unscaled step for mode   46=       -0.0000000168
 Unscaled step for mode   47=        0.0000000502
 Unscaled step for mode   48=        0.0000000057
 Unscaled step for mode   49=       -0.0000000270
 Unscaled step for mode   50=        0.0000000226
 Unscaled step for mode   51=        0.0000000216
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000260
 Unscaled step for mode   54=       -0.0000000101
 Unscaled step for mode   55=        0.0000000507
 Unscaled step for mode   56=       -0.0000000193
 Unscaled step for mode   57=        0.0000000088
 Unscaled step for mode   58=        0.0000000437
 Unscaled step for mode   59=        0.0000000282
 Unscaled step for mode   60=        0.0000000474
 Unscaled step for mode   61=        0.0000000374
 Unscaled step for mode   62=        0.0000001197
 Unscaled step for mode   63=       -0.0000000782
 Unscaled step for mode   64=       -0.0000000148
 Unscaled step for mode   65=       -0.0000000129
 Unscaled step for mode   66=        0.0000000879
 Unscaled step for mode   67=       -0.0000000071
 Unscaled step for mode   68=       -0.0000000245
 Unscaled step for mode   69=        0.0000000053
 Unscaled step for mode   70=        0.0000000407
 Unscaled step for mode   71=        0.0000000011
 Unscaled step for mode   72=       -0.0000001249
 Unscaled step for mode   73=        0.0000000415
 Unscaled step for mode   74=       -0.0000001603
 Unscaled step for mode   75=       -0.0000000957
 Unscaled step for mode   76=        0.0000001342
 Unscaled step for mode   77=       -0.0000000022
 Unscaled step for mode   78=        0.0000002574
 Unscaled step for mode   79=        0.0000002906
 Unscaled step for mode   80=        0.0000000655
 Unscaled step for mode   81=       -0.0000000872
 Unscaled step for mode   82=        0.0000001598
 Unscaled step for mode   83=        0.0000001037
 Unscaled step for mode   84=       -0.0000001155
 Unscaled step for mode   85=       -0.0000002436
 Unscaled step for mode   86=       -0.0000003214
 Unscaled step for mode   87=       -0.0000000917
 Unscaled step for mode   88=        0.0000000099
 Unscaled step for mode   89=        0.0000003114
 Unscaled step for mode   90=       -0.0000001504
 Unscaled step for mode   91=        0.0000000208
 Unscaled step for mode   92=       -0.0000003586
 Unscaled step for mode   93=        0.0000005234
 Unscaled step for mode   94=       -0.0000002256
 Unscaled step for mode   95=       -0.0000005383
 Unscaled step for mode   96=       -0.0000001545
 Unscaled step for mode   97=       -0.0000003537
 Unscaled step for mode   98=        0.0000002854
 Unscaled step for mode   99=       -0.0000005006
 Unscaled step for mode  100=        0.0000007372
 Unscaled step for mode  101=       -0.0000021468
 Unscaled step for mode  102=       -0.0000010336
 Unscaled step for mode  103=        0.0000008460
 Unscaled step for mode  104=        0.0000011656
 Unscaled step for mode  105=       -0.0000005690
 Unscaled step for mode  106=       -0.0000001835
 Unscaled step for mode  107=        0.0000037599
 Unscaled step for mode  108=       -0.0000049334
 Unscaled step for mode  109=        0.0000040544
 Unscaled step for mode  110=        0.0000027402
 Unscaled step for mode  111=       -0.0000074478
 Unscaled step for mode  112=        0.0000028473
 Unscaled step for mode  113=        0.0002805002
 Unscaled step for mode  114=        0.0411269143
 Largest modulus ratio of non-zero e/values=           149.8713581    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.841341E-16    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.466966E-15    0.100772E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.321027E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.336862E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.219009E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.419993E-16    0.973493E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.199122E-06    0.718491E+03 -0.277140E-09 0.100000E-04    0.967921E+00
   8   -0.503448E-06    0.670300E+03  0.751079E-09 0.100000E-04    0.992836E+00
   9    0.566630E-06    0.622982E+03 -0.909546E-09 0.100000E-04    0.996543E+00
  10    0.126654E-05    0.603064E+03 -0.210017E-08 0.100000E-04    0.993279E+00
  11   -0.921708E-06    0.589646E+03  0.156316E-08 0.100000E-04    0.996626E+00
  12    0.250555E-05    0.563697E+03 -0.444486E-08 0.100000E-04    0.997349E+00
  13    0.205338E-05    0.560937E+03 -0.366063E-08 0.100000E-04    0.999146E+00
  14   -0.514446E-05    0.477860E+03  0.107656E-07 0.100000E-04    0.996224E+00
  15    0.156322E-05    0.470681E+03 -0.332119E-08 0.100000E-04    0.998536E+00
  16    0.954032E-06    0.463583E+03 -0.205795E-08 0.100000E-04    0.981459E+00
  17    0.849686E-06    0.441571E+03 -0.192424E-08 0.100000E-04    0.976976E+00
  18    0.278599E-05    0.431896E+03 -0.645060E-08 0.100000E-04    0.995437E+00
  19    0.547240E-05    0.420227E+03 -0.130225E-07 0.100000E-04    0.991802E+00
  20    0.716268E-05    0.405504E+03 -0.176637E-07 0.100000E-04    0.995055E+00
  21    0.380764E-05    0.398436E+03 -0.955645E-08 0.100000E-04    0.991337E+00
  22   -0.584913E-06    0.388298E+03  0.150635E-08 0.100000E-04    0.975684E+00
  23   -0.198313E-05    0.366936E+03  0.540455E-08 0.100000E-04    0.999813E+00
  24    0.183178E-05    0.364137E+03 -0.503048E-08 0.100000E-04    0.997701E+00
  25   -0.660510E-05    0.352857E+03  0.187189E-07 0.100000E-04    0.992148E+00
  26   -0.972827E-05    0.344243E+03  0.282599E-07 0.100000E-04    0.990632E+00
  27   -0.558994E-05    0.324034E+03  0.172511E-07 0.100000E-04    0.996152E+00
  28    0.512556E-05    0.323402E+03 -0.158489E-07 0.100000E-04    0.994629E+00
  29   -0.559201E-05    0.318828E+03  0.175393E-07 0.100000E-04    0.988500E+00
  30   -0.416553E-05    0.316366E+03  0.131668E-07 0.100000E-04    0.988263E+00
  31   -0.131222E-05    0.305383E+03  0.429695E-08 0.100000E-04    0.986958E+00
  32    0.607233E-07    0.287302E+03 -0.211357E-09 0.100000E-04    0.810709E+00
  33    0.339528E-05    0.280002E+03 -0.121259E-07 0.100000E-04    0.990755E+00
  34    0.150267E-05    0.271652E+03 -0.553160E-08 0.100000E-04    0.985535E+00
  35    0.993002E-05    0.265790E+03 -0.373603E-07 0.100000E-04    0.992052E+00
  36    0.145673E-05    0.261996E+03 -0.556014E-08 0.100000E-04    0.981021E+00
  37   -0.420798E-05    0.257662E+03  0.163314E-07 0.100000E-04    0.990816E+00
  38   -0.240629E-05    0.253377E+03  0.949687E-08 0.100000E-04    0.995905E+00
  39   -0.725368E-05    0.244297E+03  0.296920E-07 0.100000E-04    0.990397E+00
  40    0.269631E-05    0.239653E+03 -0.112509E-07 0.100000E-04    0.982092E+00
  41    0.356594E-05    0.234068E+03 -0.152346E-07 0.100000E-04    0.983222E+00
  42   -0.169723E-05    0.228450E+03  0.742932E-08 0.100000E-04    0.986275E+00
  43    0.142890E-05    0.225010E+03 -0.635040E-08 0.100000E-04    0.991751E+00
  44   -0.109502E-05    0.212848E+03  0.514460E-08 0.100000E-04    0.976859E+00
  45    0.322061E-05    0.211124E+03 -0.152546E-07 0.100000E-04    0.996525E+00
  46    0.352323E-05    0.209961E+03 -0.167804E-07 0.100000E-04    0.985251E+00
  47   -0.101877E-04    0.202874E+03  0.502170E-07 0.100000E-04    0.991072E+00
  48   -0.112294E-05    0.198657E+03  0.565265E-08 0.100000E-04    0.993319E+00
  49    0.527477E-05    0.195298E+03 -0.270088E-07 0.100000E-04    0.989337E+00
  50   -0.433774E-05    0.191655E+03  0.226331E-07 0.100000E-04    0.989654E+00
  51   -0.402599E-05    0.186469E+03  0.215906E-07 0.100000E-04    0.992731E+00
  52    0.459025E-06    0.178427E+03 -0.257262E-08 0.100000E-04    0.998149E+00
  53   -0.443135E-05    0.170681E+03  0.259627E-07 0.100000E-04    0.993902E+00
  54    0.169634E-05    0.168140E+03 -0.100889E-07 0.100000E-04    0.984696E+00
  55   -0.840115E-05    0.165771E+03  0.506793E-07 0.100000E-04    0.992220E+00
  56    0.310689E-05    0.160653E+03 -0.193392E-07 0.100000E-04    0.989743E+00
  57   -0.135838E-05    0.153818E+03  0.883107E-08 0.100000E-04    0.996448E+00
  58   -0.660331E-05    0.151060E+03  0.437132E-07 0.100000E-04    0.991039E+00
  59   -0.418294E-05    0.148469E+03  0.281738E-07 0.100000E-04    0.993771E+00
  60   -0.675257E-05    0.142490E+03  0.473899E-07 0.100000E-04    0.993084E+00
  61   -0.512450E-05    0.136898E+03  0.374331E-07 0.100000E-04    0.989275E+00
  62   -0.161154E-04    0.134631E+03  0.119701E-06 0.100000E-04    0.992264E+00
  63    0.102477E-04    0.131023E+03 -0.782128E-07 0.100000E-04    0.990690E+00
  64    0.188434E-05    0.127700E+03 -0.147560E-07 0.100000E-04    0.986839E+00
  65    0.162169E-05    0.125663E+03 -0.129051E-07 0.100000E-04    0.998126E+00
  66   -0.109451E-04    0.124452E+03  0.879466E-07 0.100000E-04    0.990630E+00
  67    0.845464E-06    0.119422E+03 -0.707965E-08 0.100000E-04    0.999445E+00
  68    0.289126E-05    0.117971E+03 -0.245082E-07 0.100000E-04    0.989614E+00
  69   -0.620271E-06    0.116327E+03  0.533215E-08 0.100000E-04    0.974962E+00
  70   -0.459341E-05    0.112753E+03  0.407386E-07 0.100000E-04    0.986942E+00
  71   -0.121654E-06    0.110311E+03  0.110283E-08 0.100000E-04    0.921840E+00
  72    0.131933E-04    0.105631E+03 -0.124900E-06 0.100000E-04    0.988620E+00
  73   -0.426976E-05    0.102827E+03  0.415238E-07 0.100000E-04    0.983799E+00
  74    0.161246E-04    0.100580E+03 -0.160316E-06 0.100000E-04    0.990867E+00
  75    0.930751E-05    0.972283E+02 -0.957283E-07 0.100000E-04    0.988216E+00
  76   -0.127551E-04    0.950286E+02  0.134223E-06 0.100000E-04    0.990318E+00
  77    0.198066E-06    0.914160E+02 -0.216665E-08 0.100000E-04    0.956700E+00
  78   -0.232973E-04    0.905100E+02  0.257401E-06 0.100000E-04    0.990823E+00
  79   -0.255690E-04    0.879779E+02  0.290630E-06 0.100000E-04    0.993295E+00
  80   -0.553287E-05    0.844510E+02  0.655157E-07 0.100000E-04    0.988233E+00
  81    0.705000E-05    0.808927E+02 -0.871525E-07 0.100000E-04    0.989329E+00
  82   -0.126279E-04    0.790436E+02  0.159758E-06 0.100000E-04    0.991055E+00
  83   -0.816736E-05    0.787257E+02  0.103745E-06 0.100000E-04    0.995648E+00
  84    0.843923E-05    0.730709E+02 -0.115494E-06 0.100000E-04    0.987004E+00
  85    0.173656E-04    0.712842E+02 -0.243611E-06 0.100000E-04    0.990765E+00
  86    0.223463E-04    0.695368E+02 -0.321360E-06 0.100000E-04    0.991708E+00
  87    0.619795E-05    0.676169E+02 -0.916628E-07 0.100000E-04    0.999714E+00
  88   -0.632582E-06    0.635817E+02  0.994913E-08 0.100000E-04    0.940008E+00
  89   -0.194086E-04    0.623215E+02  0.311426E-06 0.100000E-04    0.990586E+00
  90    0.897141E-05    0.596611E+02 -0.150373E-06 0.100000E-04    0.987449E+00
  91   -0.121669E-05    0.585241E+02  0.207896E-07 0.100000E-04    0.992474E+00
  92    0.200176E-04    0.558265E+02 -0.358569E-06 0.100000E-04    0.989279E+00
  93   -0.280908E-04    0.536675E+02  0.523422E-06 0.100000E-04    0.992549E+00
  94    0.118069E-04    0.523308E+02 -0.225621E-06 0.100000E-04    0.986379E+00
  95    0.270738E-04    0.502966E+02 -0.538282E-06 0.100000E-04    0.993571E+00
  96    0.742189E-05    0.480289E+02 -0.154530E-06 0.100000E-04    0.995560E+00
  97    0.154671E-04    0.437239E+02 -0.353746E-06 0.100000E-04    0.990015E+00
  98   -0.113475E-04    0.397661E+02  0.285356E-06 0.100000E-04    0.992208E+00
  99    0.188318E-04    0.376186E+02 -0.500599E-06 0.100000E-04    0.982081E+00
 100   -0.266532E-04    0.361555E+02  0.737182E-06 0.100000E-04    0.992608E+00
 101    0.743941E-04    0.346535E+02 -0.214680E-05 0.100000E-04    0.991756E+00
 102    0.306978E-04    0.297000E+02 -0.103360E-05 0.100000E-04    0.990101E+00
 103   -0.245372E-04    0.290050E+02  0.845967E-06 0.100000E-04    0.991166E+00
 104   -0.334601E-04    0.287074E+02  0.116556E-05 0.100000E-04    0.992105E+00
 105    0.133861E-04    0.235264E+02 -0.568980E-06 0.100000E-04    0.986658E+00
 106    0.401568E-05    0.218849E+02 -0.183491E-06 0.100000E-04    0.974041E+00
 107   -0.736713E-04    0.195939E+02  0.375991E-05 0.100000E-04    0.989646E+00
 108    0.817742E-04    0.165757E+02 -0.493338E-05 0.100000E-04    0.997835E+00
 109   -0.563396E-04    0.138958E+02  0.405443E-05 0.100000E-04    0.994285E+00
 110   -0.347338E-04    0.126755E+02  0.274022E-05 0.100000E-04    0.972994E+00
 111    0.869414E-04    0.116735E+02 -0.744777E-05 0.100000E-04    0.992089E+00
 112   -0.267180E-04    0.938366E+01  0.284729E-05 0.100000E-04    0.991089E+00
 113   -0.212478E-02    0.757495E+01  0.109000E-04 0.109000E-04    0.106721E+00
 114    0.197499E+00    0.479405E+01  0.400000E-03 0.400000E-03    0.100107E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4112691434E-01

 Beginning of optimization cycle   84.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3988880774
 potential> RMS force:                                               0.0186780272   |gradient|=.1994267580    
 Eigenvalues of the Hessian matrix:
   718.54997    670.31866    623.00569    603.08289    589.64788    563.71879 
   560.97491    477.87461    470.65902    463.57086    441.56717    431.88495 
   420.23491    405.51440    398.43274    388.30308    366.93707    364.12671 
   352.84696    344.20230    324.03911    323.37505    318.82068    316.38541 
   305.38189    287.30342    279.99836    271.64520    265.78895    262.00269 
   257.66328    253.37767    244.28221    239.64229    234.07740    228.45327 
   224.99158    212.84254    211.12463    209.95480    202.87568    198.65191 
   195.30130    191.65360    186.46521    178.41213    170.68209    168.13945 
   165.76965    160.65018    153.81173    151.05941    148.47633    142.49424 
   136.89836    134.63550    131.02250    127.69890    125.66652    124.45952 
   119.42166    117.97031    116.33061    112.74633    110.30392    105.62744 
   102.82645    100.57530     97.22811     95.02952     91.40955     90.51536 
    87.98924     84.45196     80.89216     79.04637     78.72454     73.06803 
    71.28724     69.52825     67.62061     63.57780     62.31706     59.66103 
    58.52720     55.82617     53.66613     52.32912     50.29699     48.02823 
    43.71936     39.76915     37.61068     36.15756     34.65987     29.69051 
    29.00375     28.70789     23.52097     21.88575     19.59283     16.57926 
    13.89387     12.67093     11.66543      9.38559      7.57596      4.79523 
overlap for current and previous eigenvector    109 is         0.9999951251
overlap for current and previous eigenvector    110 is         0.9999899399
overlap for current and previous eigenvector    111 is         0.9999870691
overlap for current and previous eigenvector    112 is         0.9999996166
overlap for current and previous eigenvector    113 is         0.9999992962
overlap for current and previous eigenvector    114 is         0.9999992334
J1,K1,R1,R2,RAT=   7   7    0.1696517560E-01     1.982869975        0.9828699749    
FOB,PFOB,DIAG,PSTEP=    0.1957438376E-06    0.1991222602E-06     718.5499695       -0.2771396320E-09
J1,K1,R1,R2,RAT=   8   8   -0.3967793881E-01     2.039622131        0.9603220612    
FOB,PFOB,DIAG,PSTEP=   -0.5234246532E-06   -0.5034483048E-06     670.3186561        0.7510791305E-09
J1,K1,R1,R2,RAT=   9   9   -0.1694239615E-01     2.016864837        0.9830576039    
FOB,PFOB,DIAG,PSTEP=    0.5762305440E-06    0.5666301001E-06     623.0056860       -0.9095455906E-09
J1,K1,R1,R2,RAT=  10  10   -0.1026380935E-02     2.000964619        0.9989736191    
FOB,PFOB,DIAG,PSTEP=    0.1267840195E-05    0.1266540203E-05     603.0828903       -0.2100174514E-08
J1,K1,R1,R2,RAT=  11  11   -0.7003354871E-03     2.000692657        0.9992996645    
FOB,PFOB,DIAG,PSTEP=   -0.9223530335E-06   -0.9217075265E-06     589.6478828        0.1563155049E-08
J1,K1,R1,R2,RAT= 109 109   -0.6006225365E-02     2.006283927        0.9939937746    
FOB,PFOB,DIAG,PSTEP=   -0.5667789321E-04   -0.5633955214E-04     13.89387116        0.4054430172E-05
J1,K1,R1,R2,RAT= 110 110   -0.1889613409E-01     2.019621595        0.9811038659    
FOB,PFOB,DIAG,PSTEP=   -0.3538984945E-04   -0.3473375377E-04     12.67093115        0.2740221610E-05
J1,K1,R1,R2,RAT= 111 111   -0.1026886318E-01     2.011650453        0.9897311368    
FOB,PFOB,DIAG,PSTEP=    0.8783360408E-04    0.8694143073E-04     11.66542713       -0.7447769598E-05
J1,K1,R1,R2,RAT= 112 112    0.2171032892E-02     1.997417324        0.9974173242    
FOB,PFOB,DIAG,PSTEP=   -0.2665999744E-04   -0.2671801507E-04     9.385594312        0.2847290694E-05
J1,K1,R1,R2,RAT= 113 113   -0.7441492146         52.20519783        0.2558507854    
FOB,PFOB,DIAG,PSTEP=   -0.2186225482E-02   -0.2124775131E-02     7.575962928        0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9989836385        -206.9313383        0.1016361475E-02
FOB,PFOB,DIAG,PSTEP=    0.1994146678        0.1974985260         4.795228181        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
    -0.00001     -0.00002      0.00001      0.00000      0.00000     -0.00001 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
     0.00000     -0.00002     -0.00001      0.00001     -0.00000      0.00002 
    -0.00003     -0.00001      0.00001      0.00001      0.00001      0.00001 
    -0.00002     -0.00002     -0.00001      0.00000      0.00002      0.00001 
    -0.00000      0.00002     -0.00003      0.00001      0.00003      0.00001 
     0.00002     -0.00001      0.00002     -0.00003      0.00008      0.00003 
    -0.00002     -0.00003      0.00001      0.00000     -0.00007      0.00008 
    -0.00006     -0.00004      0.00009     -0.00003     -0.00219      0.19941 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4364399300
 Log product of positive Hessian eigenvalues =          520.4593416800
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7952281806
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000008
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000045
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000108
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000021
 Unscaled step for mode   17=       -0.0000000019
 Unscaled step for mode   18=       -0.0000000065
 Unscaled step for mode   19=       -0.0000000131
 Unscaled step for mode   20=       -0.0000000177
 Unscaled step for mode   21=       -0.0000000096
 Unscaled step for mode   22=        0.0000000015
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000189
 Unscaled step for mode   26=        0.0000000285
 Unscaled step for mode   27=        0.0000000173
 Unscaled step for mode   28=       -0.0000000159
 Unscaled step for mode   29=        0.0000000178
 Unscaled step for mode   30=        0.0000000133
 Unscaled step for mode   31=        0.0000000044
 Unscaled step for mode   32=       -0.0000000002
 Unscaled step for mode   33=       -0.0000000122
 Unscaled step for mode   34=       -0.0000000056
 Unscaled step for mode   35=       -0.0000000377
 Unscaled step for mode   36=       -0.0000000056
 Unscaled step for mode   37=        0.0000000165
 Unscaled step for mode   38=        0.0000000096
 Unscaled step for mode   39=        0.0000000299
 Unscaled step for mode   40=       -0.0000000115
 Unscaled step for mode   41=       -0.0000000155
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=       -0.0000000065
 Unscaled step for mode   44=        0.0000000054
 Unscaled step for mode   45=       -0.0000000154
 Unscaled step for mode   46=       -0.0000000171
 Unscaled step for mode   47=        0.0000000508
 Unscaled step for mode   48=        0.0000000056
 Unscaled step for mode   49=       -0.0000000273
 Unscaled step for mode   50=        0.0000000228
 Unscaled step for mode   51=        0.0000000218
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000262
 Unscaled step for mode   54=       -0.0000000103
 Unscaled step for mode   55=        0.0000000511
 Unscaled step for mode   56=       -0.0000000194
 Unscaled step for mode   57=        0.0000000089
 Unscaled step for mode   58=        0.0000000440
 Unscaled step for mode   59=        0.0000000285
 Unscaled step for mode   60=        0.0000000480
 Unscaled step for mode   61=        0.0000000377
 Unscaled step for mode   62=        0.0000001206
 Unscaled step for mode   63=       -0.0000000788
 Unscaled step for mode   64=       -0.0000000150
 Unscaled step for mode   65=       -0.0000000128
 Unscaled step for mode   66=        0.0000000887
 Unscaled step for mode   67=       -0.0000000072
 Unscaled step for mode   68=       -0.0000000247
 Unscaled step for mode   69=        0.0000000052
 Unscaled step for mode   70=        0.0000000414
 Unscaled step for mode   71=        0.0000000011
 Unscaled step for mode   72=        0.0000001260
 Unscaled step for mode   73=       -0.0000000422
 Unscaled step for mode   74=        0.0000001616
 Unscaled step for mode   75=        0.0000000971
 Unscaled step for mode   76=       -0.0000001356
 Unscaled step for mode   77=        0.0000000024
 Unscaled step for mode   78=       -0.0000002603
 Unscaled step for mode   79=        0.0000002924
 Unscaled step for mode   80=        0.0000000663
 Unscaled step for mode   81=       -0.0000000880
 Unscaled step for mode   82=       -0.0000001609
 Unscaled step for mode   83=       -0.0000001037
 Unscaled step for mode   84=       -0.0000001166
 Unscaled step for mode   85=        0.0000002454
 Unscaled step for mode   86=        0.0000003240
 Unscaled step for mode   87=        0.0000000912
 Unscaled step for mode   88=       -0.0000000098
 Unscaled step for mode   89=       -0.0000003140
 Unscaled step for mode   90=       -0.0000001515
 Unscaled step for mode   91=        0.0000000205
 Unscaled step for mode   92=       -0.0000003631
 Unscaled step for mode   93=        0.0000005265
 Unscaled step for mode   94=       -0.0000002278
 Unscaled step for mode   95=       -0.0000005411
 Unscaled step for mode   96=       -0.0000001557
 Unscaled step for mode   97=       -0.0000003567
 Unscaled step for mode   98=        0.0000002876
 Unscaled step for mode   99=       -0.0000005070
 Unscaled step for mode  100=        0.0000007411
 Unscaled step for mode  101=       -0.0000021641
 Unscaled step for mode  102=       -0.0000010394
 Unscaled step for mode  103=        0.0000008524
 Unscaled step for mode  104=        0.0000011709
 Unscaled step for mode  105=       -0.0000005789
 Unscaled step for mode  106=       -0.0000001768
 Unscaled step for mode  107=        0.0000037898
 Unscaled step for mode  108=       -0.0000049458
 Unscaled step for mode  109=        0.0000040793
 Unscaled step for mode  110=        0.0000027930
 Unscaled step for mode  111=       -0.0000075294
 Unscaled step for mode  112=        0.0000028405
 Unscaled step for mode  113=        0.0002885739
 Unscaled step for mode  114=        0.0415143931
 Largest modulus ratio of non-zero e/values=           149.8468774    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.194072E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.150054E-15    0.100771E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.813179E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.130798E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.220359E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.102010E-15    0.973494E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.195744E-06    0.718550E+03 -0.272415E-09 0.100000E-04    0.982870E+00
   8   -0.523425E-06    0.670319E+03  0.780859E-09 0.100000E-04    0.960322E+00
   9    0.576231E-06    0.623006E+03 -0.924920E-09 0.100000E-04    0.983058E+00
  10    0.126784E-05    0.603083E+03 -0.210227E-08 0.100000E-04    0.998974E+00
  11   -0.922353E-06    0.589648E+03  0.156424E-08 0.100000E-04    0.999300E+00
  12    0.252184E-05    0.563719E+03 -0.447358E-08 0.100000E-04    0.993498E+00
  13    0.204270E-05    0.560975E+03 -0.364133E-08 0.100000E-04    0.994661E+00
  14   -0.516046E-05    0.477875E+03  0.107988E-07 0.100000E-04    0.996891E+00
  15    0.157383E-05    0.470659E+03 -0.334389E-08 0.100000E-04    0.993211E+00
  16    0.962469E-06    0.463571E+03 -0.207621E-08 0.100000E-04    0.991156E+00
  17    0.855280E-06    0.441567E+03 -0.193692E-08 0.100000E-04    0.993416E+00
  18    0.280558E-05    0.431885E+03 -0.649612E-08 0.100000E-04    0.992969E+00
  19    0.551401E-05    0.420235E+03 -0.131213E-07 0.100000E-04    0.992397E+00
  20    0.718932E-05    0.405514E+03 -0.177289E-07 0.100000E-04    0.996282E+00
  21    0.383604E-05    0.398433E+03 -0.962784E-08 0.100000E-04    0.992539E+00
  22   -0.573263E-06    0.388303E+03  0.147633E-08 0.100000E-04    0.980056E+00
  23   -0.198212E-05    0.366937E+03  0.540179E-08 0.100000E-04    0.999487E+00
  24    0.183639E-05    0.364127E+03 -0.504328E-08 0.100000E-04    0.997485E+00
  25   -0.666005E-05    0.352847E+03  0.188752E-07 0.100000E-04    0.991680E+00
  26   -0.981861E-05    0.344202E+03  0.285257E-07 0.100000E-04    0.990713E+00
  27   -0.562100E-05    0.324039E+03  0.173467E-07 0.100000E-04    0.994445E+00
  28    0.515590E-05    0.323375E+03 -0.159440E-07 0.100000E-04    0.994079E+00
  29   -0.567387E-05    0.318821E+03  0.177964E-07 0.100000E-04    0.985361E+00
  30   -0.421089E-05    0.316385E+03  0.133094E-07 0.100000E-04    0.989113E+00
  31   -0.134189E-05    0.305382E+03  0.439413E-08 0.100000E-04    0.977389E+00
  32    0.514232E-07    0.287303E+03 -0.178986E-09 0.100000E-04    0.846835E+00
  33    0.342229E-05    0.279998E+03 -0.122225E-07 0.100000E-04    0.992044E+00
  34    0.151010E-05    0.271645E+03 -0.555910E-08 0.100000E-04    0.995056E+00
  35    0.100231E-04    0.265789E+03 -0.377109E-07 0.100000E-04    0.990622E+00
  36    0.147653E-05    0.262003E+03 -0.563554E-08 0.100000E-04    0.986414E+00
  37   -0.425161E-05    0.257663E+03  0.165006E-07 0.100000E-04    0.989632E+00
  38   -0.242933E-05    0.253378E+03  0.958779E-08 0.100000E-04    0.990424E+00
  39   -0.731601E-05    0.244282E+03  0.299490E-07 0.100000E-04    0.991406E+00
  40    0.275316E-05    0.239642E+03 -0.114886E-07 0.100000E-04    0.978915E+00
  41    0.362306E-05    0.234077E+03 -0.154780E-07 0.100000E-04    0.983983E+00
  42   -0.172254E-05    0.228453E+03  0.754002E-08 0.100000E-04    0.985088E+00
  43    0.145226E-05    0.224992E+03 -0.645475E-08 0.100000E-04    0.983650E+00
  44   -0.115285E-05    0.212843E+03  0.541646E-08 0.100000E-04    0.947182E+00
  45    0.324141E-05    0.211125E+03 -0.153530E-07 0.100000E-04    0.993542E+00
  46    0.359570E-05    0.209955E+03 -0.171261E-07 0.100000E-04    0.979430E+00
  47   -0.103000E-04    0.202876E+03  0.507701E-07 0.100000E-04    0.988977E+00
  48   -0.111716E-05    0.198652E+03  0.562369E-08 0.100000E-04    0.994852E+00
  49    0.534077E-05    0.195301E+03 -0.273463E-07 0.100000E-04    0.987488E+00
  50   -0.436521E-05    0.191654E+03  0.227765E-07 0.100000E-04    0.993668E+00
  51   -0.407050E-05    0.186465E+03  0.218298E-07 0.100000E-04    0.988944E+00
  52    0.458657E-06    0.178412E+03 -0.257077E-08 0.100000E-04    0.999198E+00
  53   -0.447307E-05    0.170682E+03  0.262070E-07 0.100000E-04    0.990585E+00
  54    0.173100E-05    0.168139E+03 -0.102950E-07 0.100000E-04    0.979570E+00
  55   -0.847638E-05    0.165770E+03  0.511335E-07 0.100000E-04    0.991046E+00
  56    0.312373E-05    0.160650E+03 -0.194443E-07 0.100000E-04    0.994581E+00
  57   -0.137495E-05    0.153812E+03  0.893919E-08 0.100000E-04    0.987796E+00
  58   -0.665311E-05    0.151059E+03  0.440430E-07 0.100000E-04    0.992459E+00
  59   -0.423477E-05    0.148476E+03  0.285215E-07 0.100000E-04    0.987611E+00
  60   -0.683553E-05    0.142494E+03  0.479706E-07 0.100000E-04    0.987715E+00
  61   -0.516767E-05    0.136898E+03  0.377482E-07 0.100000E-04    0.991576E+00
  62   -0.162363E-04    0.134635E+03  0.120595E-06 0.100000E-04    0.992501E+00
  63    0.103190E-04    0.131022E+03 -0.787575E-07 0.100000E-04    0.993040E+00
  64    0.191425E-05    0.127699E+03 -0.149904E-07 0.100000E-04    0.984124E+00
  65    0.160881E-05    0.125667E+03 -0.128022E-07 0.100000E-04    0.992004E+00
  66   -0.110368E-04    0.124460E+03  0.886775E-07 0.100000E-04    0.991627E+00
  67    0.857318E-06    0.119422E+03 -0.717891E-08 0.100000E-04    0.985979E+00
  68    0.291939E-05    0.117970E+03 -0.247468E-07 0.100000E-04    0.990274E+00
  69   -0.610016E-06    0.116331E+03  0.524381E-08 0.100000E-04    0.983399E+00
  70   -0.467086E-05    0.112746E+03  0.414280E-07 0.100000E-04    0.983137E+00
  71   -0.118694E-06    0.110304E+03  0.107606E-08 0.100000E-04    0.975666E+00
  72   -0.133089E-04    0.105627E+03  0.125998E-06 0.100000E-04    0.991242E+00
  73    0.434428E-05    0.102826E+03 -0.422487E-07 0.100000E-04    0.982547E+00
  74   -0.162495E-04    0.100575E+03  0.161566E-06 0.100000E-04    0.992250E+00
  75   -0.944281E-05    0.972281E+02  0.971201E-07 0.100000E-04    0.985463E+00
  76    0.128813E-04    0.950295E+02 -0.135551E-06 0.100000E-04    0.990102E+00
  77   -0.219771E-06    0.914096E+02  0.240425E-08 0.100000E-04    0.890408E+00
  78    0.235638E-04    0.905154E+02 -0.260329E-06 0.100000E-04    0.988564E+00
  79   -0.257309E-04    0.879892E+02  0.292432E-06 0.100000E-04    0.993670E+00
  80   -0.560337E-05    0.844520E+02  0.663498E-07 0.100000E-04    0.987258E+00
  81    0.711565E-05    0.808922E+02 -0.879646E-07 0.100000E-04    0.990688E+00
  82    0.127190E-04    0.790464E+02 -0.160906E-06 0.100000E-04    0.992781E+00
  83    0.816429E-05    0.787245E+02 -0.103707E-06 0.100000E-04    0.999624E+00
  84    0.852204E-05    0.730680E+02 -0.116632E-06 0.100000E-04    0.990187E+00
  85   -0.174936E-04    0.712872E+02  0.245396E-06 0.100000E-04    0.992631E+00
  86   -0.225303E-04    0.695283E+02  0.324045E-06 0.100000E-04    0.991767E+00
  87   -0.616515E-05    0.676206E+02  0.911727E-07 0.100000E-04    0.994599E+00
  88    0.624984E-06    0.635778E+02 -0.983022E-08 0.100000E-04    0.987987E+00
  89    0.195680E-04    0.623171E+02 -0.314007E-06 0.100000E-04    0.991787E+00
  90    0.903625E-05    0.596610E+02 -0.151460E-06 0.100000E-04    0.992773E+00
  91   -0.120167E-05    0.585272E+02  0.205319E-07 0.100000E-04    0.987553E+00
  92    0.202681E-04    0.558262E+02 -0.363058E-06 0.100000E-04    0.987484E+00
  93   -0.282550E-04    0.536661E+02  0.526495E-06 0.100000E-04    0.994154E+00
  94    0.119194E-04    0.523291E+02 -0.227778E-06 0.100000E-04    0.990474E+00
  95    0.272173E-04    0.502970E+02 -0.541131E-06 0.100000E-04    0.994699E+00
  96    0.747810E-05    0.480282E+02 -0.155702E-06 0.100000E-04    0.992426E+00
  97    0.155925E-04    0.437194E+02 -0.356651E-06 0.100000E-04    0.991891E+00
  98   -0.114376E-04    0.397691E+02  0.287601E-06 0.100000E-04    0.992057E+00
  99    0.190705E-04    0.376107E+02 -0.507050E-06 0.100000E-04    0.987323E+00
 100   -0.267967E-04    0.361576E+02  0.741110E-06 0.100000E-04    0.994615E+00
 101    0.750089E-04    0.346599E+02 -0.216414E-05 0.100000E-04    0.991738E+00
 102    0.308613E-04    0.296905E+02 -0.103943E-05 0.100000E-04    0.994673E+00
 103   -0.247214E-04    0.290037E+02  0.852352E-06 0.100000E-04    0.992494E+00
 104   -0.336130E-04    0.287079E+02  0.117086E-05 0.100000E-04    0.995432E+00
 105    0.136159E-04    0.235210E+02 -0.578884E-06 0.100000E-04    0.982826E+00
 106    0.386994E-05    0.218858E+02 -0.176825E-06 0.100000E-04    0.963631E+00
 107   -0.742530E-04    0.195928E+02  0.378981E-05 0.100000E-04    0.992103E+00
 108    0.819982E-04    0.165793E+02 -0.494583E-05 0.100000E-04    0.997261E+00
 109   -0.566779E-04    0.138939E+02  0.407934E-05 0.100000E-04    0.993994E+00
 110   -0.353898E-04    0.126709E+02  0.279300E-05 0.100000E-04    0.981104E+00
 111    0.878336E-04    0.116654E+02 -0.752939E-05 0.100000E-04    0.989731E+00
 112   -0.266600E-04    0.938559E+01  0.284052E-05 0.100000E-04    0.997417E+00
 113   -0.218623E-02    0.757596E+01  0.100000E-04 0.100000E-04    0.255851E+00
 114    0.199415E+00    0.479523E+01  0.400000E-03 0.400000E-03    0.101636E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4151439309E-01

 Beginning of optimization cycle   85.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3988079504
 potential> RMS force:                                               0.0188575905   |gradient|=.2013439699    
 Eigenvalues of the Hessian matrix:
   718.60926    670.33737    623.02979    603.10128    589.65014    563.74094 
   561.01303    477.88968    470.63684    463.55883    441.56381    431.87400 
   420.24258    405.52511    398.42921    388.30816    366.93774    364.11620 
   352.83664    344.16181    324.04427    323.34820    318.81311    316.40439 
   305.38036    287.30485    279.99499    271.63797    265.78759    262.00957 
   257.66437    253.37851    244.26720    239.63152    234.08727    228.45607 
   224.97315    212.83708    211.12582    209.94872    202.87762    198.64685 
   195.30446    191.65235    186.46107    178.39729    170.68295    168.13875 
   165.76835    160.64748    153.80573    151.05884    148.48336    142.49881 
   136.89900    134.63976    131.02187    127.69824    125.67002    124.46718 
   119.42164    117.96936    116.33464    112.73950    110.29687    105.62353 
   102.82623    100.57101     97.22788     95.03040     91.40306     90.52076 
    88.00055     84.45292     80.89167     79.04917     78.72334     73.06515 
    71.29036     69.51967     67.62431     63.57394     62.31256     59.66099 
    58.53033     55.82592     53.66472     52.32751     50.29741     48.02757 
    43.71484     39.77218     37.60280     36.15964     34.66633     29.68103 
    29.00254     28.70837     23.51551     21.88659     19.59188     16.58279 
    13.89197     12.66636     11.65731      9.38752      7.57698      4.79638 
overlap for current and previous eigenvector    109 is        -0.9999951974
overlap for current and previous eigenvector    110 is         0.9999900178
overlap for current and previous eigenvector    111 is         0.9999871372
overlap for current and previous eigenvector    112 is         0.9999996144
overlap for current and previous eigenvector    113 is         0.9999992928
overlap for current and previous eigenvector    114 is        -0.9999992364
J1,K1,R1,R2,RAT=   7   7    0.3454838671E-01     1.965286598        0.9652865984    
FOB,PFOB,DIAG,PSTEP=    0.1889806458E-06    0.1957438376E-06     718.6092601       -0.2724150663E-09
J1,K1,R1,R2,RAT=   8   8   -0.7044798791E-02     2.006988971        0.9929552012    
FOB,PFOB,DIAG,PSTEP=   -0.5271121775E-06   -0.5234246532E-06     670.3373678        0.7808594442E-09
J1,K1,R1,R2,RAT=   9   9    0.3441591529E-02     1.996481039        0.9964810394    
FOB,PFOB,DIAG,PSTEP=    0.5742473172E-06    0.5762305440E-06     623.0297877       -0.9249202005E-09
J1,K1,R1,R2,RAT=  10  10   -0.6657365556E-02     2.006596389        0.9933426344    
FOB,PFOB,DIAG,PSTEP=    0.1276280928E-05    0.1267840195E-05     603.1012778       -0.2102265237E-08
J1,K1,R1,R2,RAT=  11  11   -0.3312580199E-02     2.003304934        0.9966874198    
FOB,PFOB,DIAG,PSTEP=   -0.9254084135E-06   -0.9223530335E-06     589.6501371        0.1564243781E-08
J1,K1,R1,R2,RAT= 109 109     2.005824858       -0.5550798383E-02    0.9944492016    
FOB,PFOB,DIAG,PSTEP=    0.5699245766E-04   -0.5667789321E-04     13.89196755        0.4079344954E-05
J1,K1,R1,R2,RAT= 110 110   -0.2634992339E-01     2.027070985        0.9736500766    
FOB,PFOB,DIAG,PSTEP=   -0.3632203319E-04   -0.3538984945E-04     12.66636454        0.2792995166E-05
J1,K1,R1,R2,RAT= 111 111   -0.7614223247E-02     2.009007284        0.9923857768    
FOB,PFOB,DIAG,PSTEP=    0.8850192324E-04    0.8783360408E-04     11.65730746       -0.7529394606E-05
J1,K1,R1,R2,RAT= 112 112    0.9083978224E-02     1.990505767        0.9905057668    
FOB,PFOB,DIAG,PSTEP=   -0.2641776892E-04   -0.2665999744E-04     9.387519951        0.2840523099E-05
J1,K1,R1,R2,RAT= 113 113   -0.9149033938         58.62196675        0.8509660624E-01
FOB,PFOB,DIAG,PSTEP=   -0.2255547502E-02   -0.2186225482E-02     7.576977080        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -208.8795478        0.9989630389        0.1036961137E-02
FOB,PFOB,DIAG,PSTEP=   -0.2013312286        0.1994146678         4.796375478        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000      0.00001 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00001 
    -0.00000     -0.00002     -0.00001      0.00001     -0.00000     -0.00002 
    -0.00003     -0.00001     -0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00002     -0.00001      0.00000      0.00002     -0.00001 
     0.00000      0.00002     -0.00003     -0.00001      0.00003     -0.00001 
    -0.00002     -0.00001     -0.00002     -0.00003     -0.00008     -0.00003 
    -0.00002     -0.00003     -0.00001     -0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00009     -0.00003     -0.00226     -0.20133 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4364944369
 Log product of positive Hessian eigenvalues =          520.4580024338
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7963754778
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000008
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000045
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000108
 Unscaled step for mode   15=       -0.0000000033
 Unscaled step for mode   16=       -0.0000000021
 Unscaled step for mode   17=       -0.0000000020
 Unscaled step for mode   18=       -0.0000000065
 Unscaled step for mode   19=       -0.0000000132
 Unscaled step for mode   20=       -0.0000000178
 Unscaled step for mode   21=       -0.0000000097
 Unscaled step for mode   22=        0.0000000014
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000190
 Unscaled step for mode   26=        0.0000000288
 Unscaled step for mode   27=        0.0000000174
 Unscaled step for mode   28=       -0.0000000160
 Unscaled step for mode   29=        0.0000000180
 Unscaled step for mode   30=        0.0000000135
 Unscaled step for mode   31=        0.0000000045
 Unscaled step for mode   32=       -0.0000000001
 Unscaled step for mode   33=       -0.0000000123
 Unscaled step for mode   34=       -0.0000000056
 Unscaled step for mode   35=       -0.0000000380
 Unscaled step for mode   36=       -0.0000000057
 Unscaled step for mode   37=        0.0000000167
 Unscaled step for mode   38=        0.0000000096
 Unscaled step for mode   39=        0.0000000302
 Unscaled step for mode   40=       -0.0000000117
 Unscaled step for mode   41=       -0.0000000157
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000065
 Unscaled step for mode   44=        0.0000000055
 Unscaled step for mode   45=       -0.0000000154
 Unscaled step for mode   46=       -0.0000000174
 Unscaled step for mode   47=        0.0000000512
 Unscaled step for mode   48=        0.0000000056
 Unscaled step for mode   49=       -0.0000000276
 Unscaled step for mode   50=        0.0000000230
 Unscaled step for mode   51=        0.0000000220
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000264
 Unscaled step for mode   54=       -0.0000000104
 Unscaled step for mode   55=        0.0000000515
 Unscaled step for mode   56=       -0.0000000196
 Unscaled step for mode   57=        0.0000000090
 Unscaled step for mode   58=        0.0000000444
 Unscaled step for mode   59=       -0.0000000287
 Unscaled step for mode   60=        0.0000000483
 Unscaled step for mode   61=        0.0000000381
 Unscaled step for mode   62=        0.0000001215
 Unscaled step for mode   63=        0.0000000795
 Unscaled step for mode   64=       -0.0000000152
 Unscaled step for mode   65=       -0.0000000128
 Unscaled step for mode   66=       -0.0000000895
 Unscaled step for mode   67=       -0.0000000072
 Unscaled step for mode   68=        0.0000000250
 Unscaled step for mode   69=       -0.0000000051
 Unscaled step for mode   70=       -0.0000000420
 Unscaled step for mode   71=       -0.0000000010
 Unscaled step for mode   72=       -0.0000001274
 Unscaled step for mode   73=        0.0000000429
 Unscaled step for mode   74=        0.0000001630
 Unscaled step for mode   75=        0.0000000983
 Unscaled step for mode   76=       -0.0000001368
 Unscaled step for mode   77=        0.0000000023
 Unscaled step for mode   78=        0.0000002627
 Unscaled step for mode   79=        0.0000002943
 Unscaled step for mode   80=        0.0000000671
 Unscaled step for mode   81=        0.0000000889
 Unscaled step for mode   82=       -0.0000001623
 Unscaled step for mode   83=       -0.0000001033
 Unscaled step for mode   84=       -0.0000001181
 Unscaled step for mode   85=       -0.0000002476
 Unscaled step for mode   86=       -0.0000003267
 Unscaled step for mode   87=        0.0000000911
 Unscaled step for mode   88=       -0.0000000092
 Unscaled step for mode   89=       -0.0000003169
 Unscaled step for mode   90=        0.0000001533
 Unscaled step for mode   91=       -0.0000000204
 Unscaled step for mode   92=       -0.0000003669
 Unscaled step for mode   93=        0.0000005303
 Unscaled step for mode   94=        0.0000002308
 Unscaled step for mode   95=       -0.0000005445
 Unscaled step for mode   96=        0.0000001564
 Unscaled step for mode   97=        0.0000003602
 Unscaled step for mode   98=        0.0000002898
 Unscaled step for mode   99=        0.0000005162
 Unscaled step for mode  100=        0.0000007464
 Unscaled step for mode  101=        0.0000021811
 Unscaled step for mode  102=        0.0000010500
 Unscaled step for mode  103=        0.0000008597
 Unscaled step for mode  104=        0.0000011799
 Unscaled step for mode  105=        0.0000005866
 Unscaled step for mode  106=        0.0000001815
 Unscaled step for mode  107=        0.0000038283
 Unscaled step for mode  108=        0.0000049542
 Unscaled step for mode  109=       -0.0000041025
 Unscaled step for mode  110=        0.0000028676
 Unscaled step for mode  111=       -0.0000075920
 Unscaled step for mode  112=        0.0000028141
 Unscaled step for mode  113=        0.0002976843
 Unscaled step for mode  114=       -0.0419020022
 Largest modulus ratio of non-zero e/values=           149.8233955    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.199927E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.789299E-16    0.100771E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.601168E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.616017E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.623199E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.764783E-15    0.973496E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.188981E-06    0.718609E+03 -0.262981E-09 0.100000E-04    0.965287E+00
   8   -0.527112E-06    0.670337E+03  0.786339E-09 0.100000E-04    0.992955E+00
   9    0.574247E-06    0.623030E+03 -0.921701E-09 0.100000E-04    0.996481E+00
  10    0.127628E-05    0.603101E+03 -0.211620E-08 0.100000E-04    0.993343E+00
  11   -0.925408E-06    0.589650E+03  0.156942E-08 0.100000E-04    0.996687E+00
  12    0.252836E-05    0.563741E+03 -0.448497E-08 0.100000E-04    0.997415E+00
  13    0.204401E-05    0.561013E+03 -0.364342E-08 0.100000E-04    0.999359E+00
  14   -0.517932E-05    0.477890E+03  0.108379E-07 0.100000E-04    0.996345E+00
  15    0.157140E-05    0.470637E+03 -0.333888E-08 0.100000E-04    0.998453E+00
  16    0.980045E-06    0.463559E+03 -0.211418E-08 0.100000E-04    0.981738E+00
  17    0.874582E-06    0.441564E+03 -0.198065E-08 0.100000E-04    0.977432E+00
  18    0.281812E-05    0.431874E+03 -0.652533E-08 0.100000E-04    0.995528E+00
  19    0.555863E-05    0.420243E+03 -0.132272E-07 0.100000E-04    0.991907E+00
  20    0.722410E-05    0.405525E+03 -0.178142E-07 0.100000E-04    0.995163E+00
  21    0.386868E-05    0.398429E+03 -0.970982E-08 0.100000E-04    0.991493E+00
  22   -0.558221E-06    0.388308E+03  0.143757E-08 0.100000E-04    0.973736E+00
  23   -0.198223E-05    0.366938E+03  0.540209E-08 0.100000E-04    0.999943E+00
  24    0.184028E-05    0.364116E+03 -0.505411E-08 0.100000E-04    0.997881E+00
  25   -0.671161E-05    0.352837E+03  0.190219E-07 0.100000E-04    0.992257E+00
  26   -0.990945E-05    0.344162E+03  0.287930E-07 0.100000E-04    0.990748E+00
  27   -0.564521E-05    0.324044E+03  0.174211E-07 0.100000E-04    0.995692E+00
  28    0.517845E-05    0.323348E+03 -0.160151E-07 0.100000E-04    0.995627E+00
  29   -0.573761E-05    0.318813E+03  0.179968E-07 0.100000E-04    0.988766E+00
  30   -0.426112E-05    0.316404E+03  0.134673E-07 0.100000E-04    0.988072E+00
  31   -0.135911E-05    0.305380E+03  0.445055E-08 0.100000E-04    0.987165E+00
  32    0.368855E-07    0.287305E+03 -0.128385E-09 0.100000E-04    0.717285E+00
  33    0.345357E-05    0.279995E+03 -0.123344E-07 0.100000E-04    0.990860E+00
  34    0.153181E-05    0.271638E+03 -0.563917E-08 0.100000E-04    0.985622E+00
  35    0.101015E-04    0.265788E+03 -0.380058E-07 0.100000E-04    0.992187E+00
  36    0.150428E-05    0.262010E+03 -0.574133E-08 0.100000E-04    0.981201E+00
  37   -0.429022E-05    0.257664E+03  0.166504E-07 0.100000E-04    0.990919E+00
  38   -0.243906E-05    0.253379E+03  0.962614E-08 0.100000E-04    0.995997E+00
  39   -0.738502E-05    0.244267E+03  0.302334E-07 0.100000E-04    0.990567E+00
  40    0.280157E-05    0.239632E+03 -0.116911E-07 0.100000E-04    0.982417E+00
  41    0.368300E-05    0.234087E+03 -0.157334E-07 0.100000E-04    0.983457E+00
  42   -0.174578E-05    0.228456E+03  0.764166E-08 0.100000E-04    0.986507E+00
  43    0.146424E-05    0.224973E+03 -0.650849E-08 0.100000E-04    0.991756E+00
  44   -0.117859E-05    0.212837E+03  0.553752E-08 0.100000E-04    0.977674E+00
  45    0.325214E-05    0.211126E+03 -0.154038E-07 0.100000E-04    0.996688E+00
  46    0.364740E-05    0.209949E+03 -0.173728E-07 0.100000E-04    0.985621E+00
  47   -0.103905E-04    0.202878E+03  0.512156E-07 0.100000E-04    0.991215E+00
  48   -0.110919E-05    0.198647E+03  0.558375E-08 0.100000E-04    0.992872E+00
  49    0.539683E-05    0.195304E+03 -0.276329E-07 0.100000E-04    0.989503E+00
  50   -0.440980E-05    0.191652E+03  0.230094E-07 0.100000E-04    0.989785E+00
  51   -0.409963E-05    0.186461E+03  0.219865E-07 0.100000E-04    0.992843E+00
  52    0.457686E-06    0.178397E+03 -0.256554E-08 0.100000E-04    0.997883E+00
  53   -0.449978E-05    0.170683E+03  0.263634E-07 0.100000E-04    0.994028E+00
  54    0.175698E-05    0.168139E+03 -0.104496E-07 0.100000E-04    0.984989E+00
  55   -0.854113E-05    0.165768E+03  0.515245E-07 0.100000E-04    0.992360E+00
  56    0.315525E-05    0.160647E+03 -0.196408E-07 0.100000E-04    0.989909E+00
  57   -0.137993E-05    0.153806E+03  0.897191E-08 0.100000E-04    0.996379E+00
  58   -0.671201E-05    0.151059E+03  0.444331E-07 0.100000E-04    0.991147E+00
  59    0.426040E-05    0.148483E+03 -0.286928E-07 0.100000E-04    0.993949E+00
  60   -0.688193E-05    0.142499E+03  0.482947E-07 0.100000E-04    0.993211E+00
  61   -0.522251E-05    0.136899E+03  0.381487E-07 0.100000E-04    0.989387E+00
  62   -0.163596E-04    0.134640E+03  0.121506E-06 0.100000E-04    0.992408E+00
  63   -0.104136E-04    0.131022E+03  0.794796E-07 0.100000E-04    0.990836E+00
  64    0.193931E-05    0.127698E+03 -0.151867E-07 0.100000E-04    0.986910E+00
  65    0.161108E-05    0.125670E+03 -0.128199E-07 0.100000E-04    0.998589E+00
  66    0.111386E-04    0.124467E+03 -0.894901E-07 0.100000E-04    0.990775E+00
  67    0.856815E-06    0.119422E+03 -0.717471E-08 0.100000E-04    0.999414E+00
  68   -0.294928E-05    0.117969E+03  0.250004E-07 0.100000E-04    0.989761E+00
  69    0.593573E-06    0.116335E+03 -0.510229E-08 0.100000E-04    0.972977E+00
  70    0.473058E-05    0.112739E+03 -0.419602E-07 0.100000E-04    0.987214E+00
  71    0.107991E-06    0.110297E+03 -0.979092E-09 0.100000E-04    0.909822E+00
  72    0.134584E-04    0.105624E+03 -0.127418E-06 0.100000E-04    0.988768E+00
  73   -0.441336E-05    0.102826E+03  0.429205E-07 0.100000E-04    0.984099E+00
  74   -0.163950E-04    0.100571E+03  0.163019E-06 0.100000E-04    0.991046E+00
  75   -0.955283E-05    0.972279E+02  0.982520E-07 0.100000E-04    0.988348E+00
  76    0.130038E-04    0.950304E+02 -0.136838E-06 0.100000E-04    0.990493E+00
  77   -0.211186E-06    0.914031E+02  0.231050E-08 0.100000E-04    0.960934E+00
  78   -0.237765E-04    0.905208E+02  0.262663E-06 0.100000E-04    0.990974E+00
  79   -0.258980E-04    0.880005E+02  0.294294E-06 0.100000E-04    0.993504E+00
  80   -0.566814E-05    0.844529E+02  0.671160E-07 0.100000E-04    0.988440E+00
  81   -0.719012E-05    0.808917E+02  0.888857E-07 0.100000E-04    0.989534E+00
  82    0.128265E-04    0.790492E+02 -0.162259E-06 0.100000E-04    0.991554E+00
  83    0.813019E-05    0.787233E+02 -0.103275E-06 0.100000E-04    0.995822E+00
  84    0.863144E-05    0.730651E+02 -0.118134E-06 0.100000E-04    0.987162E+00
  85    0.176528E-04    0.712904E+02 -0.247618E-06 0.100000E-04    0.990904E+00
  86    0.227128E-04    0.695197E+02 -0.326710E-06 0.100000E-04    0.991898E+00
  87   -0.616099E-05    0.676243E+02  0.911061E-07 0.100000E-04    0.999214E+00
  88    0.583045E-06    0.635739E+02 -0.917113E-08 0.100000E-04    0.932892E+00
  89    0.197488E-04    0.623126E+02 -0.316932E-06 0.100000E-04    0.990756E+00
  90   -0.914790E-05    0.596610E+02  0.153331E-06 0.100000E-04    0.987644E+00
  91    0.119185E-05    0.585303E+02 -0.203630E-07 0.100000E-04    0.991718E+00
  92    0.204813E-04    0.558259E+02 -0.366879E-06 0.100000E-04    0.989481E+00
  93   -0.284599E-04    0.536647E+02  0.530328E-06 0.100000E-04    0.992747E+00
  94   -0.120792E-04    0.523275E+02  0.230839E-06 0.100000E-04    0.986589E+00
  95    0.273872E-04    0.502974E+02 -0.544505E-06 0.100000E-04    0.993757E+00
  96   -0.751008E-05    0.480276E+02  0.156370E-06 0.100000E-04    0.995724E+00
  97   -0.157457E-04    0.437148E+02  0.360190E-06 0.100000E-04    0.990180E+00
  98   -0.115253E-04    0.397722E+02  0.289784E-06 0.100000E-04    0.992333E+00
  99   -0.194091E-04    0.376028E+02  0.516160E-06 0.100000E-04    0.982242E+00
 100   -0.269887E-04    0.361596E+02  0.746376E-06 0.100000E-04    0.992837E+00
 101   -0.756115E-04    0.346663E+02  0.218112E-05 0.100000E-04    0.991967E+00
 102   -0.311645E-04    0.296810E+02  0.104998E-05 0.100000E-04    0.990171E+00
 103   -0.249343E-04    0.290025E+02  0.859727E-06 0.100000E-04    0.991390E+00
 104   -0.338719E-04    0.287084E+02  0.117986E-05 0.100000E-04    0.992297E+00
 105   -0.137934E-04    0.235155E+02  0.586565E-06 0.100000E-04    0.986963E+00
 106   -0.397238E-05    0.218866E+02  0.181498E-06 0.100000E-04    0.973529E+00
 107   -0.750028E-04    0.195919E+02  0.382826E-05 0.100000E-04    0.989902E+00
 108   -0.821543E-04    0.165828E+02  0.495419E-05 0.100000E-04    0.998096E+00
 109    0.569925E-04    0.138920E+02 -0.410255E-05 0.100000E-04    0.994449E+00
 110   -0.363220E-04    0.126664E+02  0.286760E-05 0.100000E-04    0.973650E+00
 111    0.885019E-04    0.116573E+02 -0.759197E-05 0.100000E-04    0.992386E+00
 112   -0.264178E-04    0.938752E+01  0.281414E-05 0.100000E-04    0.990506E+00
 113   -0.225555E-02    0.757698E+01  0.109000E-04 0.109000E-04    0.850966E-01
 114   -0.201331E+00    0.479638E+01 -0.400000E-03 0.400000E-03    0.103696E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4190200217E-01

 Beginning of optimization cycle   86.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3987270595
 potential> RMS force:                                               0.0190371869   |gradient|=.2032615344    
 Eigenvalues of the Hessian matrix:
   718.66851    670.35597    623.05375    603.11963    589.65221    563.76308 
   561.05121    477.90480    470.61464    463.54684    441.56049    431.86313 
   420.25031    405.53586    398.42569    388.31322    366.93848    364.10568 
   352.82641    344.12138    324.04949    323.32151    318.80540    316.42331 
   305.37883    287.30632    279.99158    271.63080    265.78630    262.01654 
   257.66561    253.37939    244.25226    239.62077    234.09721    228.45890 
   224.95473    212.83173    211.12721    209.94244    202.87960    198.64182 
   195.30763    191.65113    186.45686    178.38244    170.68384    168.13804 
   165.76705    160.64474    153.79979    151.05827    148.49034    142.50335 
   136.89964    134.64407    131.02121    127.69759    125.67352    124.47482 
   119.42163    117.96843    116.33864    112.73264    110.28974    105.61960 
   102.82603    100.56671     97.22759     95.03128     91.39658     90.52620 
    88.01188     84.45390     80.89119     79.05200     78.72209     73.06226 
    71.29344     69.51107     67.62797     63.57015     62.30795     59.66094 
    58.53345     55.82566     53.66326     52.32590     50.29780     48.02689 
    43.71032     39.77519     37.59492     36.16162     34.67279     29.67156 
    29.00133     28.70885     23.51008     21.88744     19.59096     16.58629 
    13.89008     12.66184     11.64910      9.38945      7.57796      4.79748 
overlap for current and previous eigenvector    109 is         0.9999952544
overlap for current and previous eigenvector    110 is         0.9999900701
overlap for current and previous eigenvector    111 is         0.9999871544
overlap for current and previous eigenvector    112 is         0.9999996128
overlap for current and previous eigenvector    113 is         0.9999992940
overlap for current and previous eigenvector    114 is         0.9999992411
J1,K1,R1,R2,RAT=   7   7    0.1903181791E-01     1.980803291        0.9808032914    
FOB,PFOB,DIAG,PSTEP=    0.1853837040E-06    0.1889806458E-06     718.6685110       -0.2629810890E-09
J1,K1,R1,R2,RAT=   8   8   -0.3823420472E-01     2.038178705        0.9617657953    
FOB,PFOB,DIAG,PSTEP=   -0.5472664517E-06   -0.5271121775E-06     670.3559703        0.7863386450E-09
J1,K1,R1,R2,RAT=   9   9   -0.1659038462E-01     2.016513480        0.9834096154    
FOB,PFOB,DIAG,PSTEP=    0.5837746674E-06    0.5742473172E-06     623.0537454       -0.9217012229E-09
J1,K1,R1,R2,RAT=  10  10   -0.8941149655E-03     2.000833270        0.9991058850    
FOB,PFOB,DIAG,PSTEP=    0.1277422105E-05    0.1276280928E-05     603.1196261       -0.2116196691E-08
J1,K1,R1,R2,RAT=  11  11   -0.6428612715E-03     2.000635826        0.9993571387    
FOB,PFOB,DIAG,PSTEP=   -0.9260033249E-06   -0.9254084135E-06     589.6522111        0.1569419483E-08
J1,K1,R1,R2,RAT= 109 109   -0.5836330949E-02     2.006108466        0.9941636691    
FOB,PFOB,DIAG,PSTEP=    0.5732503925E-04    0.5699245766E-04     13.89007756       -0.4102547567E-05
J1,K1,R1,R2,RAT= 110 110   -0.1841613843E-01     2.019131573        0.9815838616    
FOB,PFOB,DIAG,PSTEP=   -0.3699070559E-04   -0.3632203319E-04     12.66183518        0.2867597335E-05
J1,K1,R1,R2,RAT= 111 111   -0.1001954666E-01     2.011428886        0.9899804533    
FOB,PFOB,DIAG,PSTEP=    0.8938804797E-04    0.8850192324E-04     11.64909869       -0.7591969549E-05
J1,K1,R1,R2,RAT= 112 112    0.2547731216E-02     1.997041598        0.9970415979    
FOB,PFOB,DIAG,PSTEP=   -0.2635044972E-04   -0.2641776892E-04     9.389447937        0.2814137179E-05
J1,K1,R1,R2,RAT= 113 113   -0.7637061186         55.37760452        0.2362938814    
FOB,PFOB,DIAG,PSTEP=   -0.2318629446E-02   -0.2255547502E-02     7.577959808        0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9989475527        -210.8290360        0.1052447273E-02
FOB,PFOB,DIAG,PSTEP=   -0.2032482018       -0.2013312286         4.797482334       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000      0.00001 
     0.00001     -0.00002     -0.00001     -0.00000      0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000     -0.00002     -0.00001      0.00001     -0.00000     -0.00002 
    -0.00003     -0.00001      0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00002     -0.00001      0.00000      0.00002     -0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003      0.00001 
     0.00002      0.00001      0.00002     -0.00003     -0.00008      0.00003 
     0.00003      0.00003      0.00001      0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00009     -0.00003     -0.00232     -0.20325 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4365504729
 Log product of positive Hessian eigenvalues =          520.4566414225
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7974823344
 Unscaled step for mode    7=       -0.0000000003
 Unscaled step for mode    8=        0.0000000008
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000045
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000109
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000021
 Unscaled step for mode   17=       -0.0000000020
 Unscaled step for mode   18=       -0.0000000066
 Unscaled step for mode   19=       -0.0000000133
 Unscaled step for mode   20=       -0.0000000179
 Unscaled step for mode   21=       -0.0000000098
 Unscaled step for mode   22=        0.0000000014
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000192
 Unscaled step for mode   26=        0.0000000291
 Unscaled step for mode   27=        0.0000000175
 Unscaled step for mode   28=       -0.0000000161
 Unscaled step for mode   29=        0.0000000183
 Unscaled step for mode   30=        0.0000000136
 Unscaled step for mode   31=        0.0000000045
 Unscaled step for mode   32=       -0.0000000001
 Unscaled step for mode   33=       -0.0000000124
 Unscaled step for mode   34=       -0.0000000057
 Unscaled step for mode   35=       -0.0000000384
 Unscaled step for mode   36=       -0.0000000058
 Unscaled step for mode   37=        0.0000000168
 Unscaled step for mode   38=        0.0000000097
 Unscaled step for mode   39=        0.0000000305
 Unscaled step for mode   40=       -0.0000000119
 Unscaled step for mode   41=       -0.0000000160
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=       -0.0000000066
 Unscaled step for mode   44=        0.0000000058
 Unscaled step for mode   45=       -0.0000000155
 Unscaled step for mode   46=       -0.0000000177
 Unscaled step for mode   47=        0.0000000518
 Unscaled step for mode   48=        0.0000000056
 Unscaled step for mode   49=       -0.0000000280
 Unscaled step for mode   50=        0.0000000232
 Unscaled step for mode   51=        0.0000000222
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000266
 Unscaled step for mode   54=       -0.0000000107
 Unscaled step for mode   55=        0.0000000520
 Unscaled step for mode   56=       -0.0000000197
 Unscaled step for mode   57=        0.0000000091
 Unscaled step for mode   58=        0.0000000448
 Unscaled step for mode   59=       -0.0000000290
 Unscaled step for mode   60=       -0.0000000489
 Unscaled step for mode   61=       -0.0000000385
 Unscaled step for mode   62=        0.0000001224
 Unscaled step for mode   63=        0.0000000800
 Unscaled step for mode   64=        0.0000000154
 Unscaled step for mode   65=       -0.0000000127
 Unscaled step for mode   66=       -0.0000000902
 Unscaled step for mode   67=        0.0000000073
 Unscaled step for mode   68=        0.0000000252
 Unscaled step for mode   69=       -0.0000000050
 Unscaled step for mode   70=       -0.0000000427
 Unscaled step for mode   71=        0.0000000009
 Unscaled step for mode   72=       -0.0000001285
 Unscaled step for mode   73=        0.0000000437
 Unscaled step for mode   74=        0.0000001643
 Unscaled step for mode   75=        0.0000000997
 Unscaled step for mode   76=       -0.0000001382
 Unscaled step for mode   77=        0.0000000026
 Unscaled step for mode   78=        0.0000002656
 Unscaled step for mode   79=        0.0000002961
 Unscaled step for mode   80=        0.0000000680
 Unscaled step for mode   81=       -0.0000000897
 Unscaled step for mode   82=       -0.0000001633
 Unscaled step for mode   83=       -0.0000001033
 Unscaled step for mode   84=       -0.0000001193
 Unscaled step for mode   85=       -0.0000002494
 Unscaled step for mode   86=       -0.0000003294
 Unscaled step for mode   87=        0.0000000906
 Unscaled step for mode   88=       -0.0000000090
 Unscaled step for mode   89=       -0.0000003195
 Unscaled step for mode   90=        0.0000001544
 Unscaled step for mode   91=       -0.0000000201
 Unscaled step for mode   92=       -0.0000003714
 Unscaled step for mode   93=        0.0000005333
 Unscaled step for mode   94=        0.0000002330
 Unscaled step for mode   95=        0.0000005473
 Unscaled step for mode   96=       -0.0000001575
 Unscaled step for mode   97=       -0.0000003631
 Unscaled step for mode   98=       -0.0000002920
 Unscaled step for mode   99=       -0.0000005227
 Unscaled step for mode  100=        0.0000007502
 Unscaled step for mode  101=        0.0000021982
 Unscaled step for mode  102=       -0.0000010558
 Unscaled step for mode  103=       -0.0000008660
 Unscaled step for mode  104=       -0.0000011850
 Unscaled step for mode  105=       -0.0000005965
 Unscaled step for mode  106=       -0.0000001747
 Unscaled step for mode  107=        0.0000038578
 Unscaled step for mode  108=        0.0000049656
 Unscaled step for mode  109=       -0.0000041270
 Unscaled step for mode  110=        0.0000029214
 Unscaled step for mode  111=       -0.0000076734
 Unscaled step for mode  112=        0.0000028064
 Unscaled step for mode  113=        0.0003059701
 Unscaled step for mode  114=       -0.0422898288
 Largest modulus ratio of non-zero e/values=           149.8011792    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.132923E-15    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.896202E-15    0.100771E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.175858E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.303577E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.109262E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.243945E-15    0.973497E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.185384E-06    0.718669E+03 -0.257954E-09 0.100000E-04    0.980803E+00
   8   -0.547266E-06    0.670356E+03  0.816382E-09 0.100000E-04    0.961766E+00
   9    0.583775E-06    0.623054E+03 -0.936957E-09 0.100000E-04    0.983410E+00
  10    0.127742E-05    0.603120E+03 -0.211802E-08 0.100000E-04    0.999106E+00
  11   -0.926003E-06    0.589652E+03  0.157042E-08 0.100000E-04    0.999357E+00
  12    0.254457E-05    0.563763E+03 -0.451355E-08 0.100000E-04    0.993588E+00
  13    0.203273E-05    0.561051E+03 -0.362308E-08 0.100000E-04    0.994350E+00
  14   -0.519472E-05    0.477905E+03  0.108698E-07 0.100000E-04    0.997026E+00
  15    0.158195E-05    0.470615E+03 -0.336146E-08 0.100000E-04    0.993283E+00
  16    0.988668E-06    0.463547E+03 -0.213283E-08 0.100000E-04    0.991201E+00
  17    0.880286E-06    0.441560E+03 -0.199358E-08 0.100000E-04    0.993477E+00
  18    0.283763E-05    0.431863E+03 -0.657067E-08 0.100000E-04    0.993077E+00
  19    0.560028E-05    0.420250E+03 -0.133261E-07 0.100000E-04    0.992508E+00
  20    0.725011E-05    0.405536E+03 -0.178778E-07 0.100000E-04    0.996399E+00
  21    0.389693E-05    0.398426E+03 -0.978083E-08 0.100000E-04    0.992696E+00
  22   -0.546159E-06    0.388313E+03  0.140649E-08 0.100000E-04    0.978365E+00
  23   -0.198088E-05    0.366938E+03  0.539839E-08 0.100000E-04    0.999314E+00
  24    0.184462E-05    0.364106E+03 -0.506616E-08 0.100000E-04    0.997645E+00
  25   -0.676668E-05    0.352826E+03  0.191785E-07 0.100000E-04    0.991796E+00
  26   -0.100003E-04    0.344121E+03  0.290603E-07 0.100000E-04    0.990835E+00
  27   -0.567868E-05    0.324049E+03  0.175241E-07 0.100000E-04    0.994071E+00
  28    0.520437E-05    0.323322E+03 -0.160966E-07 0.100000E-04    0.994994E+00
  29   -0.581977E-05    0.318805E+03  0.182549E-07 0.100000E-04    0.985679E+00
  30   -0.430847E-05    0.316423E+03  0.136162E-07 0.100000E-04    0.988887E+00
  31   -0.138926E-05    0.305379E+03  0.454929E-08 0.100000E-04    0.977819E+00
  32    0.272695E-07    0.287306E+03 -0.949144E-10 0.100000E-04    0.739293E+00
  33    0.348058E-05    0.279992E+03 -0.124310E-07 0.100000E-04    0.992180E+00
  34    0.153943E-05    0.271631E+03 -0.566736E-08 0.100000E-04    0.995028E+00
  35    0.101947E-04    0.265786E+03 -0.383569E-07 0.100000E-04    0.990767E+00
  36    0.152470E-05    0.262017E+03 -0.581911E-08 0.100000E-04    0.986426E+00
  37   -0.433414E-05    0.257666E+03  0.168208E-07 0.100000E-04    0.989762E+00
  38   -0.246205E-05    0.253379E+03  0.971683E-08 0.100000E-04    0.990575E+00
  39   -0.744731E-05    0.244252E+03  0.304902E-07 0.100000E-04    0.991565E+00
  40    0.285949E-05    0.239621E+03 -0.119334E-07 0.100000E-04    0.979324E+00
  41    0.374123E-05    0.234097E+03 -0.159815E-07 0.100000E-04    0.984189E+00
  42   -0.177140E-05    0.228459E+03  0.775371E-08 0.100000E-04    0.985325E+00
  43    0.148799E-05    0.224955E+03 -0.661463E-08 0.100000E-04    0.983774E+00
  44   -0.123798E-05    0.212832E+03  0.581670E-08 0.100000E-04    0.949610E+00
  45    0.327188E-05    0.211127E+03 -0.154972E-07 0.100000E-04    0.993930E+00
  46    0.372071E-05    0.209942E+03 -0.177225E-07 0.100000E-04    0.979900E+00
  47   -0.105033E-04    0.202880E+03  0.517712E-07 0.100000E-04    0.989142E+00
  48   -0.110285E-05    0.198642E+03  0.555198E-08 0.100000E-04    0.994284E+00
  49    0.546349E-05    0.195308E+03 -0.279738E-07 0.100000E-04    0.987649E+00
  50   -0.443692E-05    0.191651E+03  0.231510E-07 0.100000E-04    0.993848E+00
  51   -0.414440E-05    0.186457E+03  0.222271E-07 0.100000E-04    0.989081E+00
  52    0.457080E-06    0.178382E+03 -0.256236E-08 0.100000E-04    0.998676E+00
  53   -0.454134E-05    0.170684E+03  0.266067E-07 0.100000E-04    0.990766E+00
  54    0.179231E-05    0.168138E+03 -0.106598E-07 0.100000E-04    0.979890E+00
  55   -0.861631E-05    0.165767E+03  0.519784E-07 0.100000E-04    0.991199E+00
  56    0.317192E-05    0.160645E+03 -0.197449E-07 0.100000E-04    0.994718E+00
  57   -0.139667E-05    0.153800E+03  0.908111E-08 0.100000E-04    0.987867E+00
  58   -0.676195E-05    0.151058E+03  0.447639E-07 0.100000E-04    0.992560E+00
  59    0.431213E-05    0.148490E+03 -0.290398E-07 0.100000E-04    0.987858E+00
  60    0.696509E-05    0.142503E+03 -0.488767E-07 0.100000E-04    0.987917E+00
  61    0.526588E-05    0.136900E+03 -0.384653E-07 0.100000E-04    0.991696E+00
  62   -0.164797E-04    0.134644E+03  0.122394E-06 0.100000E-04    0.992659E+00
  63   -0.104845E-04    0.131021E+03  0.800212E-07 0.100000E-04    0.993190E+00
  64   -0.196997E-05    0.127698E+03  0.154268E-07 0.100000E-04    0.984190E+00
  65    0.159728E-05    0.125674E+03 -0.127098E-07 0.100000E-04    0.991380E+00
  66    0.112301E-04    0.124475E+03 -0.902195E-07 0.100000E-04    0.991788E+00
  67   -0.868902E-06    0.119422E+03  0.727592E-08 0.100000E-04    0.985893E+00
  68   -0.297749E-05    0.117968E+03  0.252397E-07 0.100000E-04    0.990434E+00
  69    0.582926E-06    0.116339E+03 -0.501060E-08 0.100000E-04    0.981995E+00
  70    0.480892E-05    0.112733E+03 -0.426578E-07 0.100000E-04    0.983437E+00
  71   -0.104643E-06    0.110290E+03  0.948799E-09 0.100000E-04    0.968995E+00
  72    0.135744E-04    0.105620E+03 -0.128521E-06 0.100000E-04    0.991381E+00
  73   -0.448900E-05    0.102826E+03  0.436562E-07 0.100000E-04    0.982862E+00
  74   -0.165191E-04    0.100567E+03  0.164260E-06 0.100000E-04    0.992433E+00
  75   -0.968998E-05    0.972276E+02  0.996629E-07 0.100000E-04    0.985643E+00
  76    0.131303E-04    0.950313E+02 -0.138168E-06 0.100000E-04    0.990268E+00
  77   -0.233522E-06    0.913966E+02  0.255504E-08 0.100000E-04    0.894229E+00
  78   -0.240442E-04    0.905262E+02  0.265605E-06 0.100000E-04    0.988740E+00
  79   -0.260560E-04    0.880119E+02  0.296051E-06 0.100000E-04    0.993900E+00
  80   -0.573929E-05    0.844539E+02  0.679576E-07 0.100000E-04    0.987448E+00
  81    0.725566E-05    0.808912E+02 -0.896966E-07 0.100000E-04    0.990884E+00
  82    0.129130E-04    0.790520E+02 -0.163348E-06 0.100000E-04    0.993255E+00
  83    0.812943E-05    0.787221E+02 -0.103267E-06 0.100000E-04    0.999906E+00
  84    0.871479E-05    0.730623E+02 -0.119279E-06 0.100000E-04    0.990343E+00
  85    0.177801E-04    0.712934E+02 -0.249394E-06 0.100000E-04    0.992784E+00
  86    0.228952E-04    0.695111E+02 -0.329375E-06 0.100000E-04    0.991966E+00
  87   -0.612471E-05    0.676280E+02  0.905647E-07 0.100000E-04    0.994004E+00
  88    0.574465E-06    0.635702E+02 -0.903671E-08 0.100000E-04    0.985284E+00
  89    0.199080E-04    0.623080E+02 -0.319509E-06 0.100000E-04    0.991943E+00
  90   -0.921228E-05    0.596609E+02  0.154411E-06 0.100000E-04    0.992962E+00
  91    0.117639E-05    0.585334E+02 -0.200977E-07 0.100000E-04    0.986920E+00
  92    0.207331E-04    0.558257E+02 -0.371390E-06 0.100000E-04    0.987708E+00
  93   -0.286202E-04    0.536633E+02  0.533330E-06 0.100000E-04    0.994366E+00
  94   -0.121922E-04    0.523259E+02  0.233005E-06 0.100000E-04    0.990649E+00
  95   -0.275269E-04    0.502978E+02  0.547278E-06 0.100000E-04    0.994899E+00
  96    0.756597E-05    0.480269E+02 -0.157536E-06 0.100000E-04    0.992557E+00
  97    0.158703E-04    0.437103E+02 -0.363079E-06 0.100000E-04    0.992084E+00
  98    0.116154E-04    0.397752E+02 -0.292025E-06 0.100000E-04    0.992189E+00
  99    0.196525E-04    0.375949E+02 -0.522745E-06 0.100000E-04    0.987452E+00
 100   -0.271282E-04    0.361616E+02  0.750192E-06 0.100000E-04    0.994833E+00
 101   -0.762193E-04    0.346728E+02  0.219825E-05 0.100000E-04    0.991963E+00
 102    0.313276E-04    0.296716E+02 -0.105581E-05 0.100000E-04    0.994766E+00
 103    0.251160E-04    0.290013E+02 -0.866030E-06 0.100000E-04    0.992710E+00
 104    0.340198E-04    0.287088E+02 -0.118499E-05 0.100000E-04    0.995634E+00
 105    0.140239E-04    0.235101E+02 -0.596504E-06 0.100000E-04    0.983286E+00
 106    0.382276E-05    0.218874E+02 -0.174655E-06 0.100000E-04    0.962258E+00
 107   -0.755784E-04    0.195910E+02  0.385782E-05 0.100000E-04    0.992325E+00
 108   -0.823603E-04    0.165863E+02  0.496557E-05 0.100000E-04    0.997493E+00
 109    0.573250E-04    0.138901E+02 -0.412705E-05 0.100000E-04    0.994164E+00
 110   -0.369907E-04    0.126618E+02  0.292143E-05 0.100000E-04    0.981584E+00
 111    0.893880E-04    0.116491E+02 -0.767339E-05 0.100000E-04    0.989980E+00
 112   -0.263504E-04    0.938945E+01  0.280639E-05 0.100000E-04    0.997042E+00
 113   -0.231863E-02    0.757796E+01  0.100000E-04 0.100000E-04    0.236294E+00
 114   -0.203248E+00    0.479748E+01 -0.400000E-03 0.400000E-03    0.105245E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4228982883E-01

 Beginning of optimization cycle   87.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3986454003
 potential> RMS force:                                               0.0192168291   |gradient|=.2051795883    
 Eigenvalues of the Hessian matrix:
   718.72783    670.37458    623.07765    603.13774    589.65428    563.78512 
   561.08937    477.91997    470.59244    463.53486    441.55718    431.85221 
   420.25799    405.54658    398.42215    388.31825    366.93921    364.09518 
   352.81615    344.08091    324.05469    323.29503    318.79759    316.44213 
   305.37725    287.30781    279.98816    271.62361    265.78502    262.02351 
   257.66684    253.38028    244.23735    239.60993    234.10716    228.46169 
   224.93628    212.82647    211.12870    209.93596    202.88158    198.63678 
   195.31077    191.64993    186.45257    178.36761    170.68480    168.13726 
   165.76575    160.64199    153.79388    151.05769    148.49736    142.50790 
   136.90027    134.64837    131.02056    127.69693    125.67703    124.48244 
   119.42164    117.96752    116.34266    112.72577    110.28258    105.61569 
   102.82586    100.56241     97.22727     95.03217     91.39010     90.53165 
    88.02322     84.45488     80.89073     79.05487     78.72081     73.05938 
    71.29655     69.50247     67.63165     63.56641     62.30332     59.66089 
    58.53658     55.82544     53.66178     52.32431     50.29819     48.02623 
    43.70579     39.77821     37.58706     36.16364     34.67932     29.66210 
    29.00011     28.70932     23.50465     21.88828     19.59014     16.58975 
    13.88821     12.65734     11.64083      9.39137      7.57894      4.79856 
overlap for current and previous eigenvector    109 is         0.9999953253
overlap for current and previous eigenvector    110 is         0.9999901554
overlap for current and previous eigenvector    111 is         0.9999872327
overlap for current and previous eigenvector    112 is         0.9999996104
overlap for current and previous eigenvector    113 is         0.9999992905
overlap for current and previous eigenvector    114 is         0.9999992441
J1,K1,R1,R2,RAT=   7   7    0.3755643146E-01     1.962278514        0.9622785141    
FOB,PFOB,DIAG,PSTEP=    0.1784207790E-06    0.1853837040E-06     718.7278256       -0.2579543992E-09
J1,K1,R1,R2,RAT=   8   8   -0.6930074821E-02     2.006874554        0.9930699252    
FOB,PFOB,DIAG,PSTEP=   -0.5510591545E-06   -0.5472664517E-06     670.3745802        0.8163818568E-09
J1,K1,R1,R2,RAT=   9   9    0.3505053186E-02     1.996418230        0.9964182302    
FOB,PFOB,DIAG,PSTEP=    0.5817284276E-06    0.5837746674E-06     623.0776456       -0.9369571593E-09
J1,K1,R1,R2,RAT=  10  10   -0.6596827502E-02     2.006536766        0.9934031725    
FOB,PFOB,DIAG,PSTEP=    0.1285849291E-05    0.1277422105E-05     603.1377388       -0.2118024434E-08
J1,K1,R1,R2,RAT=  11  11   -0.3252662410E-02     2.003245657        0.9967473376    
FOB,PFOB,DIAG,PSTEP=   -0.9290153116E-06   -0.9260033249E-06     589.6542764        0.1570422882E-08
J1,K1,R1,R2,RAT= 109 109   -0.5393043794E-02     2.005661572        0.9946069562    
FOB,PFOB,DIAG,PSTEP=    0.5763415420E-04    0.5732503925E-04     13.88821287       -0.4127049615E-05
J1,K1,R1,R2,RAT= 110 110   -0.2570745504E-01     2.026418375        0.9742925450    
FOB,PFOB,DIAG,PSTEP=   -0.3794130459E-04   -0.3699070559E-04     12.65733600        0.2921433194E-05
J1,K1,R1,R2,RAT= 111 111   -0.7326051439E-02     2.008746832        0.9926739486    
FOB,PFOB,DIAG,PSTEP=    0.9004244453E-04    0.8938804797E-04     11.64082916       -0.7673387472E-05
J1,K1,R1,R2,RAT= 112 112    0.9676029624E-02     1.989914696        0.9899146962    
FOB,PFOB,DIAG,PSTEP=   -0.2609542980E-04   -0.2635044972E-04     9.391369760        0.2806389672E-05
J1,K1,R1,R2,RAT= 113 113   -0.9359128637         62.12198948        0.6408713632E-01
FOB,PFOB,DIAG,PSTEP=   -0.2389561764E-02   -0.2318629446E-02     7.578944668        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9989266913        -212.7794186        0.1073308681E-02
FOB,PFOB,DIAG,PSTEP=   -0.2051655650       -0.2032482018         4.798558169       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000      0.00001 
     0.00001      0.00002      0.00001     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000     -0.00002     -0.00001      0.00001     -0.00000     -0.00002 
    -0.00003     -0.00001     -0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00002     -0.00001      0.00000      0.00002     -0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003     -0.00001 
     0.00002      0.00001      0.00002     -0.00003     -0.00008      0.00003 
     0.00003      0.00003      0.00001      0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00009     -0.00003     -0.00239     -0.20517 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4366034976
 Log product of positive Hessian eigenvalues =          520.4552793779
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7985581686
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000008
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000045
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000109
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000022
 Unscaled step for mode   17=       -0.0000000020
 Unscaled step for mode   18=       -0.0000000066
 Unscaled step for mode   19=       -0.0000000134
 Unscaled step for mode   20=       -0.0000000180
 Unscaled step for mode   21=       -0.0000000099
 Unscaled step for mode   22=        0.0000000014
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000193
 Unscaled step for mode   26=        0.0000000293
 Unscaled step for mode   27=        0.0000000176
 Unscaled step for mode   28=       -0.0000000162
 Unscaled step for mode   29=        0.0000000185
 Unscaled step for mode   30=        0.0000000138
 Unscaled step for mode   31=        0.0000000046
 Unscaled step for mode   32=       -0.0000000000
 Unscaled step for mode   33=       -0.0000000125
 Unscaled step for mode   34=       -0.0000000057
 Unscaled step for mode   35=       -0.0000000387
 Unscaled step for mode   36=       -0.0000000059
 Unscaled step for mode   37=        0.0000000170
 Unscaled step for mode   38=        0.0000000098
 Unscaled step for mode   39=        0.0000000308
 Unscaled step for mode   40=       -0.0000000121
 Unscaled step for mode   41=       -0.0000000162
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=       -0.0000000067
 Unscaled step for mode   44=        0.0000000059
 Unscaled step for mode   45=       -0.0000000155
 Unscaled step for mode   46=       -0.0000000180
 Unscaled step for mode   47=        0.0000000522
 Unscaled step for mode   48=        0.0000000055
 Unscaled step for mode   49=       -0.0000000283
 Unscaled step for mode   50=        0.0000000234
 Unscaled step for mode   51=        0.0000000224
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000268
 Unscaled step for mode   54=       -0.0000000108
 Unscaled step for mode   55=        0.0000000524
 Unscaled step for mode   56=       -0.0000000199
 Unscaled step for mode   57=        0.0000000091
 Unscaled step for mode   58=        0.0000000452
 Unscaled step for mode   59=       -0.0000000292
 Unscaled step for mode   60=       -0.0000000492
 Unscaled step for mode   61=       -0.0000000389
 Unscaled step for mode   62=       -0.0000001233
 Unscaled step for mode   63=       -0.0000000807
 Unscaled step for mode   64=        0.0000000156
 Unscaled step for mode   65=        0.0000000127
 Unscaled step for mode   66=       -0.0000000910
 Unscaled step for mode   67=        0.0000000073
 Unscaled step for mode   68=        0.0000000255
 Unscaled step for mode   69=       -0.0000000049
 Unscaled step for mode   70=       -0.0000000432
 Unscaled step for mode   71=        0.0000000008
 Unscaled step for mode   72=       -0.0000001300
 Unscaled step for mode   73=        0.0000000443
 Unscaled step for mode   74=        0.0000001657
 Unscaled step for mode   75=        0.0000001008
 Unscaled step for mode   76=       -0.0000001395
 Unscaled step for mode   77=        0.0000000025
 Unscaled step for mode   78=        0.0000002679
 Unscaled step for mode   79=        0.0000002979
 Unscaled step for mode   80=        0.0000000687
 Unscaled step for mode   81=        0.0000000906
 Unscaled step for mode   82=       -0.0000001646
 Unscaled step for mode   83=       -0.0000001029
 Unscaled step for mode   84=       -0.0000001208
 Unscaled step for mode   85=       -0.0000002516
 Unscaled step for mode   86=       -0.0000003320
 Unscaled step for mode   87=        0.0000000905
 Unscaled step for mode   88=       -0.0000000084
 Unscaled step for mode   89=       -0.0000003224
 Unscaled step for mode   90=        0.0000001563
 Unscaled step for mode   91=       -0.0000000199
 Unscaled step for mode   92=       -0.0000003752
 Unscaled step for mode   93=        0.0000005371
 Unscaled step for mode   94=        0.0000002361
 Unscaled step for mode   95=        0.0000005506
 Unscaled step for mode   96=        0.0000001582
 Unscaled step for mode   97=       -0.0000003666
 Unscaled step for mode   98=       -0.0000002942
 Unscaled step for mode   99=       -0.0000005321
 Unscaled step for mode  100=        0.0000007554
 Unscaled step for mode  101=        0.0000022150
 Unscaled step for mode  102=       -0.0000010665
 Unscaled step for mode  103=       -0.0000008733
 Unscaled step for mode  104=       -0.0000011939
 Unscaled step for mode  105=       -0.0000006042
 Unscaled step for mode  106=       -0.0000001794
 Unscaled step for mode  107=        0.0000038960
 Unscaled step for mode  108=        0.0000049727
 Unscaled step for mode  109=       -0.0000041499
 Unscaled step for mode  110=        0.0000029976
 Unscaled step for mode  111=       -0.0000077351
 Unscaled step for mode  112=        0.0000027787
 Unscaled step for mode  113=        0.0003152895
 Unscaled step for mode  114=       -0.0426777941
 Largest modulus ratio of non-zero e/values=           149.7799548    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.253703E-16    0.101879E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.114058E-15    0.100771E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.418068E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.712108E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.530758E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.463659E-15    0.973498E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.178421E-06    0.718728E+03 -0.248245E-09 0.100000E-04    0.962279E+00
   8   -0.551059E-06    0.670375E+03  0.822017E-09 0.100000E-04    0.993070E+00
   9    0.581728E-06    0.623078E+03 -0.933637E-09 0.100000E-04    0.996418E+00
  10    0.128585E-05    0.603138E+03 -0.213193E-08 0.100000E-04    0.993403E+00
  11   -0.929015E-06    0.589654E+03  0.157553E-08 0.100000E-04    0.996747E+00
  12    0.255099E-05    0.563785E+03 -0.452476E-08 0.100000E-04    0.997478E+00
  13    0.203360E-05    0.561089E+03 -0.362437E-08 0.100000E-04    0.999577E+00
  14   -0.521310E-05    0.477920E+03  0.109079E-07 0.100000E-04    0.996464E+00
  15    0.157938E-05    0.470592E+03 -0.335614E-08 0.100000E-04    0.998371E+00
  16    0.100645E-05    0.463535E+03 -0.217126E-08 0.100000E-04    0.982010E+00
  17    0.899766E-06    0.441557E+03 -0.203771E-08 0.100000E-04    0.977871E+00
  18    0.285007E-05    0.431852E+03 -0.659964E-08 0.100000E-04    0.995617E+00
  19    0.564503E-05    0.420258E+03 -0.134323E-07 0.100000E-04    0.992010E+00
  20    0.728442E-05    0.405547E+03 -0.179620E-07 0.100000E-04    0.995268E+00
  21    0.392949E-05    0.398422E+03 -0.986263E-08 0.100000E-04    0.991646E+00
  22   -0.530639E-06    0.388318E+03  0.136651E-08 0.100000E-04    0.971558E+00
  23   -0.198074E-05    0.366939E+03  0.539801E-08 0.100000E-04    0.999926E+00
  24    0.184820E-05    0.364095E+03 -0.507614E-08 0.100000E-04    0.998059E+00
  25   -0.681835E-05    0.352816E+03  0.193255E-07 0.100000E-04    0.992364E+00
  26   -0.100916E-04    0.344081E+03  0.293292E-07 0.100000E-04    0.990861E+00
  27   -0.570502E-05    0.324055E+03  0.176051E-07 0.100000E-04    0.995363E+00
  28    0.522278E-05    0.323295E+03 -0.161548E-07 0.100000E-04    0.996463E+00
  29   -0.588354E-05    0.318798E+03  0.184554E-07 0.100000E-04    0.989043E+00
  30   -0.436076E-05    0.316442E+03  0.137806E-07 0.100000E-04    0.987865E+00
  31   -0.140681E-05    0.305377E+03  0.460679E-08 0.100000E-04    0.987365E+00
  32    0.123732E-07    0.287308E+03 -0.430660E-10 0.100000E-04    0.453730E+00
  33    0.351203E-05    0.279988E+03 -0.125435E-07 0.100000E-04    0.990962E+00
  34    0.156143E-05    0.271624E+03 -0.574851E-08 0.100000E-04    0.985707E+00
  35    0.102730E-04    0.265785E+03 -0.386517E-07 0.100000E-04    0.992318E+00
  36    0.155309E-05    0.262024E+03 -0.592731E-08 0.100000E-04    0.981380E+00
  37   -0.437307E-05    0.257667E+03  0.169718E-07 0.100000E-04    0.991018E+00
  38   -0.247168E-05    0.253380E+03  0.975483E-08 0.100000E-04    0.996086E+00
  39   -0.751632E-05    0.244237E+03  0.307747E-07 0.100000E-04    0.990733E+00
  40    0.290886E-05    0.239610E+03 -0.121400E-07 0.100000E-04    0.982733E+00
  41    0.380227E-05    0.234107E+03 -0.162416E-07 0.100000E-04    0.983684E+00
  42   -0.179490E-05    0.228462E+03  0.785648E-08 0.100000E-04    0.986733E+00
  43    0.150025E-05    0.224936E+03 -0.666968E-08 0.100000E-04    0.991759E+00
  44   -0.126469E-05    0.212826E+03  0.594237E-08 0.100000E-04    0.978419E+00
  45    0.328226E-05    0.211129E+03 -0.155463E-07 0.100000E-04    0.996827E+00
  46    0.377283E-05    0.209936E+03 -0.179713E-07 0.100000E-04    0.985992E+00
  47   -0.105941E-04    0.202882E+03  0.522183E-07 0.100000E-04    0.991354E+00
  48   -0.109449E-05    0.198637E+03  0.550999E-08 0.100000E-04    0.992413E+00
  49    0.551996E-05    0.195311E+03 -0.282625E-07 0.100000E-04    0.989664E+00
  50   -0.448168E-05    0.191650E+03  0.233847E-07 0.100000E-04    0.989912E+00
  51   -0.417361E-05    0.186453E+03  0.223843E-07 0.100000E-04    0.992950E+00
  52    0.455988E-06    0.178368E+03 -0.255645E-08 0.100000E-04    0.997611E+00
  53   -0.456791E-05    0.170685E+03  0.267622E-07 0.100000E-04    0.994149E+00
  54    0.181871E-05    0.168137E+03 -0.108168E-07 0.100000E-04    0.985272E+00
  55   -0.868096E-05    0.165766E+03  0.523689E-07 0.100000E-04    0.992496E+00
  56    0.320341E-05    0.160642E+03 -0.199413E-07 0.100000E-04    0.990071E+00
  57   -0.140184E-05    0.153794E+03  0.911503E-08 0.100000E-04    0.996303E+00
  58   -0.682113E-05    0.151058E+03  0.451558E-07 0.100000E-04    0.991249E+00
  59    0.433747E-05    0.148497E+03 -0.292091E-07 0.100000E-04    0.994123E+00
  60    0.701152E-05    0.142508E+03 -0.492009E-07 0.100000E-04    0.993335E+00
  61    0.532120E-05    0.136900E+03 -0.388692E-07 0.100000E-04    0.989495E+00
  62    0.166025E-04    0.134648E+03 -0.123303E-06 0.100000E-04    0.992547E+00
  63    0.105791E-04    0.131021E+03 -0.807435E-07 0.100000E-04    0.990979E+00
  64   -0.199563E-05    0.127697E+03  0.156278E-07 0.100000E-04    0.986977E+00
  65   -0.159879E-05    0.125677E+03  0.127214E-07 0.100000E-04    0.999057E+00
  66    0.113321E-04    0.124482E+03 -0.910335E-07 0.100000E-04    0.990917E+00
  67   -0.868374E-06    0.119422E+03  0.727150E-08 0.100000E-04    0.999392E+00
  68   -0.300755E-05    0.117968E+03  0.254947E-07 0.100000E-04    0.989904E+00
  69    0.565933E-06    0.116343E+03 -0.486436E-08 0.100000E-04    0.970780E+00
  70    0.486914E-05    0.112726E+03 -0.431946E-07 0.100000E-04    0.987477E+00
  71   -0.935479E-07    0.110283E+03  0.848257E-09 0.100000E-04    0.893968E+00
  72    0.137249E-04    0.105616E+03 -0.129951E-06 0.100000E-04    0.988912E+00
  73   -0.455907E-05    0.102826E+03  0.443378E-07 0.100000E-04    0.984390E+00
  74   -0.166641E-04    0.100562E+03  0.165709E-06 0.100000E-04    0.991221E+00
  75   -0.980165E-05    0.972273E+02  0.100812E-06 0.100000E-04    0.988475E+00
  76    0.132529E-04    0.950322E+02 -0.139457E-06 0.100000E-04    0.990663E+00
  77   -0.225375E-06    0.913901E+02  0.246608E-08 0.100000E-04    0.965109E+00
  78   -0.242577E-04    0.905317E+02  0.267947E-06 0.100000E-04    0.991121E+00
  79   -0.262200E-04    0.880232E+02  0.297876E-06 0.100000E-04    0.993708E+00
  80   -0.580448E-05    0.844549E+02  0.687287E-07 0.100000E-04    0.988642E+00
  81   -0.733015E-05    0.808907E+02  0.906180E-07 0.100000E-04    0.989733E+00
  82    0.130160E-04    0.790549E+02 -0.164645E-06 0.100000E-04    0.992026E+00
  83    0.809707E-05    0.787208E+02 -0.102858E-06 0.100000E-04    0.996020E+00
  84    0.882533E-05    0.730594E+02 -0.120797E-06 0.100000E-04    0.987315E+00
  85    0.179395E-04    0.712966E+02 -0.251618E-06 0.100000E-04    0.991038E+00
  86    0.230765E-04    0.695025E+02 -0.332024E-06 0.100000E-04    0.992083E+00
  87   -0.611740E-05    0.676316E+02  0.904518E-07 0.100000E-04    0.998699E+00
  88    0.531032E-06    0.635664E+02 -0.835397E-08 0.100000E-04    0.924389E+00
  89    0.200887E-04    0.623033E+02 -0.322434E-06 0.100000E-04    0.990920E+00
  90   -0.932436E-05    0.596609E+02  0.156289E-06 0.100000E-04    0.987834E+00
  91    0.116585E-05    0.585366E+02 -0.199166E-07 0.100000E-04    0.990936E+00
  92    0.209471E-04    0.558254E+02 -0.375225E-06 0.100000E-04    0.989678E+00
  93   -0.288223E-04    0.536618E+02  0.537111E-06 0.100000E-04    0.992938E+00
  94   -0.123532E-04    0.523243E+02  0.236089E-06 0.100000E-04    0.986794E+00
  95   -0.276937E-04    0.502982E+02  0.550591E-06 0.100000E-04    0.993938E+00
  96   -0.759712E-05    0.480262E+02  0.158187E-06 0.100000E-04    0.995883E+00
  97    0.160236E-04    0.437058E+02 -0.366624E-06 0.100000E-04    0.990339E+00
  98    0.117030E-04    0.397782E+02 -0.294208E-06 0.100000E-04    0.992451E+00
  99    0.199984E-04    0.375871E+02 -0.532056E-06 0.100000E-04    0.982396E+00
 100   -0.273163E-04    0.361636E+02  0.755353E-06 0.100000E-04    0.993065E+00
 101   -0.768162E-04    0.346793E+02  0.221504E-05 0.100000E-04    0.992171E+00
 102    0.316335E-04    0.296621E+02 -0.106646E-05 0.100000E-04    0.990233E+00
 103    0.253267E-04    0.290001E+02 -0.873331E-06 0.100000E-04    0.991612E+00
 104    0.342756E-04    0.287093E+02 -0.119388E-05 0.100000E-04    0.992482E+00
 105    0.142025E-04    0.235046E+02 -0.604244E-06 0.100000E-04    0.987256E+00
 106    0.392610E-05    0.218883E+02 -0.179370E-06 0.100000E-04    0.972967E+00
 107   -0.763227E-04    0.195901E+02  0.389597E-05 0.100000E-04    0.990152E+00
 108   -0.824961E-04    0.165898E+02  0.497272E-05 0.100000E-04    0.998352E+00
 109    0.576342E-04    0.138882E+02 -0.414986E-05 0.100000E-04    0.994607E+00
 110   -0.379413E-04    0.126573E+02  0.299757E-05 0.100000E-04    0.974293E+00
 111    0.900424E-04    0.116408E+02 -0.773505E-05 0.100000E-04    0.992674E+00
 112   -0.260954E-04    0.939137E+01  0.277866E-05 0.100000E-04    0.989915E+00
 113   -0.238956E-02    0.757894E+01  0.109000E-04 0.109000E-04    0.640871E-01
 114   -0.205166E+00    0.479856E+01 -0.400000E-03 0.400000E-03    0.107331E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4267779413E-01

 Beginning of optimization cycle   88.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3985629769
 potential> RMS force:                                               0.0193965014   |gradient|=.2070979631    
 Eigenvalues of the Hessian matrix:
   718.78710    670.39308    623.10140    603.15581    589.65616    563.80716 
   561.12758    477.93518    470.57022    463.52293    441.55392    431.84137 
   420.26572    405.55734    398.41862    388.32325    366.94001    364.08466 
   352.80598    344.04051    324.05995    323.26871    318.78964    316.46089 
   305.37566    287.30933    279.98472    271.61647    265.78381    262.03057 
   257.66822    253.38120    244.22251    239.59911    234.11718    228.46450 
   224.91784    212.82132    211.13039    209.92928    202.88360    198.63177 
   195.31392    191.64875    186.44820    178.35276    170.68580    168.13647 
   165.76445    160.63919    153.78803    151.05711    148.50433    142.51240 
   136.90089    134.65271    131.01988    127.69628    125.68054    124.49003 
   119.42166    117.96662    116.34666    112.71887    110.27535    105.61176 
   102.82570    100.55810     97.22691     95.03305     91.38364     90.53714 
    88.03458     84.45589     80.89029     79.05777     78.71949     73.05649 
    71.29964     69.49384     67.63528     63.56272     62.29857     59.66083 
    58.53970     55.82522     53.66026     52.32273     50.29856     48.02555 
    43.70126     39.78121     37.57920     36.16555     34.68585     29.65265 
    28.99890     28.70979     23.49923     21.88913     19.58935     16.59317 
    13.88636     12.65287     11.63247      9.39329      7.57990      4.79959 
overlap for current and previous eigenvector    109 is         0.9999953813
overlap for current and previous eigenvector    110 is         0.9999902165
overlap for current and previous eigenvector    111 is         0.9999872621
overlap for current and previous eigenvector    112 is         0.9999996086
overlap for current and previous eigenvector    113 is         0.9999992915
overlap for current and previous eigenvector    114 is         0.9999992488
J1,K1,R1,R2,RAT=   7   7    0.2139291225E-01     1.978442157        0.9784421569    
FOB,PFOB,DIAG,PSTEP=    0.1746035241E-06    0.1784207790E-06     718.7871007       -0.2482452642E-09
J1,K1,R1,R2,RAT=   8   8   -0.3689245265E-01     2.036837261        0.9631075473    
FOB,PFOB,DIAG,PSTEP=   -0.5713896393E-06   -0.5510591545E-06     670.3930803        0.8220167810E-09
J1,K1,R1,R2,RAT=   9   9   -0.1624671010E-01     2.016170455        0.9837532899    
FOB,PFOB,DIAG,PSTEP=    0.5911799611E-06    0.5817284276E-06     623.1014029       -0.9336371345E-09
J1,K1,R1,R2,RAT=  10  10   -0.7641929684E-03     2.000704261        0.9992358070    
FOB,PFOB,DIAG,PSTEP=    0.1286831958E-05    0.1285849291E-05     603.1558131       -0.2131933070E-08
J1,K1,R1,R2,RAT=  11  11   -0.5873933331E-03     2.000580997        0.9994126067    
FOB,PFOB,DIAG,PSTEP=   -0.9295610108E-06   -0.9290153116E-06     589.6561623        0.1575525437E-08
J1,K1,R1,R2,RAT= 109 109   -0.5673087893E-02     2.005939694        0.9943269121    
FOB,PFOB,DIAG,PSTEP=    0.5796107424E-04    0.5763415420E-04     13.88636178       -0.4149861089E-05
J1,K1,R1,R2,RAT= 110 110   -0.1794065160E-01     2.018645802        0.9820593484    
FOB,PFOB,DIAG,PSTEP=   -0.3862175640E-04   -0.3794130459E-04     12.65287491        0.2997574259E-05
J1,K1,R1,R2,RAT= 111 111   -0.9780470943E-02     2.011217537        0.9902195291    
FOB,PFOB,DIAG,PSTEP=    0.9092246971E-04    0.9004244453E-04     11.63247085       -0.7735054202E-05
J1,K1,R1,R2,RAT= 112 112    0.2920193282E-02     1.996670127        0.9966701273    
FOB,PFOB,DIAG,PSTEP=   -0.2601921049E-04   -0.2609542980E-04     9.393293880        0.2778660671E-05
J1,K1,R1,R2,RAT= 113 113   -0.7827000254         58.62670860        0.2172999746    
FOB,PFOB,DIAG,PSTEP=   -0.2454229137E-02   -0.2389561764E-02     7.579898258        0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9989110456        -214.7311299        0.1088954404E-02
FOB,PFOB,DIAG,PSTEP=   -0.2070833119       -0.2051655650         4.799593765       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000      0.00001 
     0.00001      0.00002      0.00001     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00001 
    -0.00000     -0.00002     -0.00001      0.00001     -0.00000     -0.00002 
    -0.00003     -0.00001      0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00002     -0.00001      0.00000      0.00002     -0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003     -0.00001 
     0.00002      0.00001      0.00002     -0.00003     -0.00008      0.00003 
     0.00003      0.00003      0.00001      0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00009     -0.00003     -0.00245     -0.20708 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4366580450
 Log product of positive Hessian eigenvalues =          520.4538956607
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7995937651
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000009
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000046
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000109
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000022
 Unscaled step for mode   17=       -0.0000000021
 Unscaled step for mode   18=       -0.0000000066
 Unscaled step for mode   19=       -0.0000000135
 Unscaled step for mode   20=       -0.0000000180
 Unscaled step for mode   21=       -0.0000000099
 Unscaled step for mode   22=        0.0000000013
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000195
 Unscaled step for mode   26=        0.0000000296
 Unscaled step for mode   27=        0.0000000177
 Unscaled step for mode   28=       -0.0000000162
 Unscaled step for mode   29=        0.0000000187
 Unscaled step for mode   30=        0.0000000139
 Unscaled step for mode   31=        0.0000000047
 Unscaled step for mode   32=       -0.0000000000
 Unscaled step for mode   33=       -0.0000000126
 Unscaled step for mode   34=       -0.0000000058
 Unscaled step for mode   35=       -0.0000000390
 Unscaled step for mode   36=       -0.0000000060
 Unscaled step for mode   37=        0.0000000171
 Unscaled step for mode   38=        0.0000000098
 Unscaled step for mode   39=        0.0000000310
 Unscaled step for mode   40=       -0.0000000124
 Unscaled step for mode   41=       -0.0000000165
 Unscaled step for mode   42=        0.0000000080
 Unscaled step for mode   43=       -0.0000000068
 Unscaled step for mode   44=        0.0000000062
 Unscaled step for mode   45=       -0.0000000156
 Unscaled step for mode   46=       -0.0000000183
 Unscaled step for mode   47=        0.0000000528
 Unscaled step for mode   48=        0.0000000055
 Unscaled step for mode   49=       -0.0000000286
 Unscaled step for mode   50=        0.0000000235
 Unscaled step for mode   51=        0.0000000226
 Unscaled step for mode   52=       -0.0000000026
 Unscaled step for mode   53=        0.0000000270
 Unscaled step for mode   54=       -0.0000000110
 Unscaled step for mode   55=        0.0000000528
 Unscaled step for mode   56=       -0.0000000200
 Unscaled step for mode   57=        0.0000000092
 Unscaled step for mode   58=        0.0000000455
 Unscaled step for mode   59=       -0.0000000296
 Unscaled step for mode   60=       -0.0000000498
 Unscaled step for mode   61=       -0.0000000392
 Unscaled step for mode   62=       -0.0000001242
 Unscaled step for mode   63=       -0.0000000813
 Unscaled step for mode   64=        0.0000000159
 Unscaled step for mode   65=        0.0000000126
 Unscaled step for mode   66=       -0.0000000918
 Unscaled step for mode   67=        0.0000000074
 Unscaled step for mode   68=        0.0000000257
 Unscaled step for mode   69=       -0.0000000048
 Unscaled step for mode   70=       -0.0000000439
 Unscaled step for mode   71=        0.0000000008
 Unscaled step for mode   72=       -0.0000001311
 Unscaled step for mode   73=        0.0000000451
 Unscaled step for mode   74=        0.0000001669
 Unscaled step for mode   75=        0.0000001022
 Unscaled step for mode   76=       -0.0000001408
 Unscaled step for mode   77=        0.0000000027
 Unscaled step for mode   78=        0.0000002709
 Unscaled step for mode   79=        0.0000002996
 Unscaled step for mode   80=        0.0000000696
 Unscaled step for mode   81=       -0.0000000914
 Unscaled step for mode   82=       -0.0000001657
 Unscaled step for mode   83=       -0.0000001029
 Unscaled step for mode   84=       -0.0000001219
 Unscaled step for mode   85=       -0.0000002534
 Unscaled step for mode   86=       -0.0000003347
 Unscaled step for mode   87=        0.0000000899
 Unscaled step for mode   88=       -0.0000000082
 Unscaled step for mode   89=       -0.0000003250
 Unscaled step for mode   90=        0.0000001574
 Unscaled step for mode   91=       -0.0000000196
 Unscaled step for mode   92=       -0.0000003798
 Unscaled step for mode   93=        0.0000005400
 Unscaled step for mode   94=        0.0000002383
 Unscaled step for mode   95=        0.0000005533
 Unscaled step for mode   96=        0.0000001593
 Unscaled step for mode   97=       -0.0000003695
 Unscaled step for mode   98=       -0.0000002964
 Unscaled step for mode   99=       -0.0000005388
 Unscaled step for mode  100=        0.0000007591
 Unscaled step for mode  101=        0.0000022319
 Unscaled step for mode  102=       -0.0000010723
 Unscaled step for mode  103=       -0.0000008795
 Unscaled step for mode  104=       -0.0000011988
 Unscaled step for mode  105=       -0.0000006142
 Unscaled step for mode  106=       -0.0000001724
 Unscaled step for mode  107=        0.0000039252
 Unscaled step for mode  108=        0.0000049830
 Unscaled step for mode  109=       -0.0000041740
 Unscaled step for mode  110=        0.0000030524
 Unscaled step for mode  111=       -0.0000078163
 Unscaled step for mode  112=        0.0000027700
 Unscaled step for mode  113=        0.0003237812
 Unscaled step for mode  114=       -0.0430659862
 Largest modulus ratio of non-zero e/values=           149.7599872    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.835486E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.461111E-15    0.100770E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.492228E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.508919E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.590077E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.613835E-15    0.973500E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.174604E-06    0.718787E+03 -0.242914E-09 0.100000E-04    0.978442E+00
   8   -0.571390E-06    0.670393E+03  0.852320E-09 0.100000E-04    0.963108E+00
   9    0.591180E-06    0.623101E+03 -0.948770E-09 0.100000E-04    0.983753E+00
  10    0.128683E-05    0.603156E+03 -0.213350E-08 0.100000E-04    0.999236E+00
  11   -0.929561E-06    0.589656E+03  0.157645E-08 0.100000E-04    0.999413E+00
  12    0.256712E-05    0.563807E+03 -0.455319E-08 0.100000E-04    0.993677E+00
  13    0.202173E-05    0.561128E+03 -0.360298E-08 0.100000E-04    0.994030E+00
  14   -0.522791E-05    0.477935E+03  0.109385E-07 0.100000E-04    0.997159E+00
  15    0.158987E-05    0.470570E+03 -0.337861E-08 0.100000E-04    0.993354E+00
  16    0.101526E-05    0.463523E+03 -0.219032E-08 0.100000E-04    0.991248E+00
  17    0.905579E-06    0.441554E+03 -0.205089E-08 0.100000E-04    0.993539E+00
  18    0.286950E-05    0.431841E+03 -0.664480E-08 0.100000E-04    0.993183E+00
  19    0.568670E-05    0.420266E+03 -0.135312E-07 0.100000E-04    0.992618E+00
  20    0.730981E-05    0.405557E+03 -0.180241E-07 0.100000E-04    0.996515E+00
  21    0.395759E-05    0.398419E+03 -0.993324E-08 0.100000E-04    0.992850E+00
  22   -0.518166E-06    0.388323E+03  0.133437E-08 0.100000E-04    0.976470E+00
  23   -0.197905E-05    0.366940E+03  0.539338E-08 0.100000E-04    0.999142E+00
  24    0.185225E-05    0.364085E+03 -0.508743E-08 0.100000E-04    0.997805E+00
  25   -0.687352E-05    0.352806E+03  0.194824E-07 0.100000E-04    0.991908E+00
  26   -0.101829E-04    0.344041E+03  0.295980E-07 0.100000E-04    0.990955E+00
  27   -0.574036E-05    0.324060E+03  0.177139E-07 0.100000E-04    0.993805E+00
  28    0.524483E-05    0.323269E+03 -0.162244E-07 0.100000E-04    0.995777E+00
  29   -0.596587E-05    0.318790E+03  0.187141E-07 0.100000E-04    0.986007E+00
  30   -0.441029E-05    0.316461E+03  0.139363E-07 0.100000E-04    0.988643E+00
  31   -0.143743E-05    0.305376E+03  0.470710E-08 0.100000E-04    0.978232E+00
  32    0.244275E-08    0.287309E+03 -0.850215E-11 0.109000E-04    0.197416E+00
  33    0.353904E-05    0.279985E+03 -0.126401E-07 0.100000E-04    0.992311E+00
  34    0.156924E-05    0.271616E+03 -0.577741E-08 0.100000E-04    0.994999E+00
  35    0.103664E-04    0.265784E+03 -0.390033E-07 0.100000E-04    0.990909E+00
  36    0.157415E-05    0.262031E+03 -0.600752E-08 0.100000E-04    0.986441E+00
  37   -0.441729E-05    0.257668E+03  0.171433E-07 0.100000E-04    0.989889E+00
  38   -0.249461E-05    0.253381E+03  0.984528E-08 0.100000E-04    0.990724E+00
  39   -0.757855E-05    0.244223E+03  0.310313E-07 0.100000E-04    0.991720E+00
  40    0.296785E-05    0.239599E+03 -0.123867E-07 0.100000E-04    0.979721E+00
  41    0.386163E-05    0.234117E+03 -0.164945E-07 0.100000E-04    0.984389E+00
  42   -0.182083E-05    0.228465E+03  0.796987E-08 0.100000E-04    0.985555E+00
  43    0.152441E-05    0.224918E+03 -0.677764E-08 0.100000E-04    0.983896E+00
  44   -0.132564E-05    0.212821E+03  0.622886E-08 0.100000E-04    0.951812E+00
  45    0.330100E-05    0.211130E+03 -0.156349E-07 0.100000E-04    0.994293E+00
  46    0.384689E-05    0.209929E+03 -0.183247E-07 0.100000E-04    0.980369E+00
  47   -0.107075E-04    0.202884E+03  0.527763E-07 0.100000E-04    0.989303E+00
  48   -0.108759E-05    0.198632E+03  0.547543E-08 0.100000E-04    0.993701E+00
  49    0.558728E-05    0.195314E+03 -0.286066E-07 0.100000E-04    0.987806E+00
  50   -0.450846E-05    0.191649E+03  0.235246E-07 0.100000E-04    0.994025E+00
  51   -0.421864E-05    0.186448E+03  0.226263E-07 0.100000E-04    0.989212E+00
  52    0.455141E-06    0.178353E+03 -0.255192E-08 0.100000E-04    0.998142E+00
  53   -0.460929E-05    0.170686E+03  0.270045E-07 0.100000E-04    0.990941E+00
  54    0.185472E-05    0.168136E+03 -0.110310E-07 0.100000E-04    0.980202E+00
  55   -0.875608E-05    0.165764E+03  0.528224E-07 0.100000E-04    0.991347E+00
  56    0.321990E-05    0.160639E+03 -0.200443E-07 0.100000E-04    0.994851E+00
  57   -0.141875E-05    0.153788E+03  0.922536E-08 0.100000E-04    0.987934E+00
  58   -0.687122E-05    0.151057E+03  0.454876E-07 0.100000E-04    0.992656E+00
  59    0.438908E-05    0.148504E+03 -0.295553E-07 0.100000E-04    0.988101E+00
  60    0.709486E-05    0.142512E+03 -0.497842E-07 0.100000E-04    0.988113E+00
  61    0.536477E-05    0.136901E+03 -0.391872E-07 0.100000E-04    0.991812E+00
  62    0.167218E-04    0.134653E+03 -0.124185E-06 0.100000E-04    0.992814E+00
  63    0.106496E-04    0.131020E+03 -0.812820E-07 0.100000E-04    0.993336E+00
  64   -0.202705E-05    0.127696E+03  0.158740E-07 0.100000E-04    0.984254E+00
  65   -0.158408E-05    0.125681E+03  0.126040E-07 0.100000E-04    0.990742E+00
  66    0.114234E-04    0.124490E+03 -0.917614E-07 0.100000E-04    0.991944E+00
  67   -0.880703E-06    0.119422E+03  0.737474E-08 0.100000E-04    0.985802E+00
  68   -0.303585E-05    0.117967E+03  0.257349E-07 0.100000E-04    0.990589E+00
  69    0.554904E-06    0.116347E+03 -0.476940E-08 0.100000E-04    0.980444E+00
  70    0.494837E-05    0.112719E+03 -0.439001E-07 0.100000E-04    0.983728E+00
  71   -0.898065E-07    0.110275E+03  0.814384E-09 0.100000E-04    0.960003E+00
  72    0.138413E-04    0.105612E+03 -0.131058E-06 0.100000E-04    0.991515E+00
  73   -0.463581E-05    0.102826E+03  0.450842E-07 0.100000E-04    0.983168E+00
  74   -0.167872E-04    0.100558E+03  0.166940E-06 0.100000E-04    0.992611E+00
  75   -0.994066E-05    0.972269E+02  0.102242E-06 0.100000E-04    0.985818E+00
  76    0.133798E-04    0.950330E+02 -0.140791E-06 0.100000E-04    0.990430E+00
  77   -0.248397E-06    0.913836E+02  0.271818E-08 0.100000E-04    0.897843E+00
  78   -0.245267E-04    0.905371E+02  0.270902E-06 0.100000E-04    0.988912E+00
  79   -0.263740E-04    0.880346E+02  0.299587E-06 0.100000E-04    0.994127E+00
  80   -0.587626E-05    0.844559E+02  0.695778E-07 0.100000E-04    0.987633E+00
  81    0.739559E-05    0.808903E+02 -0.914274E-07 0.100000E-04    0.991073E+00
  82    0.130979E-04    0.790578E+02 -0.165675E-06 0.100000E-04    0.993705E+00
  83    0.809875E-05    0.787195E+02 -0.102881E-06 0.100000E-04    0.999792E+00
  84    0.890922E-05    0.730565E+02 -0.121950E-06 0.100000E-04    0.990494E+00
  85    0.180663E-04    0.712996E+02 -0.253385E-06 0.100000E-04    0.992933E+00
  86    0.232574E-04    0.694938E+02 -0.334668E-06 0.100000E-04    0.992159E+00
  87   -0.607759E-05    0.676353E+02  0.898583E-07 0.100000E-04    0.993385E+00
  88    0.521544E-06    0.635627E+02 -0.820519E-08 0.100000E-04    0.982133E+00
  89    0.202475E-04    0.622986E+02 -0.325008E-06 0.100000E-04    0.992094E+00
  90   -0.938827E-05    0.596608E+02  0.157361E-06 0.100000E-04    0.993146E+00
  91    0.114996E-05    0.585397E+02 -0.196441E-07 0.100000E-04    0.986265E+00
  92    0.212000E-04    0.558252E+02 -0.379756E-06 0.100000E-04    0.987927E+00
  93   -0.289788E-04    0.536603E+02  0.540042E-06 0.100000E-04    0.994572E+00
  94   -0.124666E-04    0.523227E+02  0.238264E-06 0.100000E-04    0.990819E+00
  95   -0.278296E-04    0.502986E+02  0.553289E-06 0.100000E-04    0.995093E+00
  96   -0.765273E-05    0.480255E+02  0.159347E-06 0.100000E-04    0.992681E+00
  97    0.161474E-04    0.437013E+02 -0.369495E-06 0.100000E-04    0.992271E+00
  98    0.117930E-04    0.397812E+02 -0.296446E-06 0.100000E-04    0.992315E+00
  99    0.202469E-04    0.375792E+02 -0.538779E-06 0.100000E-04    0.987574E+00
 100   -0.274515E-04    0.361656E+02  0.759051E-06 0.100000E-04    0.995051E+00
 101   -0.774169E-04    0.346858E+02  0.223194E-05 0.100000E-04    0.992181E+00
 102    0.317964E-04    0.296527E+02 -0.107229E-05 0.100000E-04    0.994848E+00
 103    0.255059E-04    0.289989E+02 -0.879546E-06 0.100000E-04    0.992925E+00
 104    0.344185E-04    0.287098E+02 -0.119884E-05 0.100000E-04    0.995829E+00
 105    0.144336E-04    0.234992E+02 -0.614214E-06 0.100000E-04    0.983730E+00
 106    0.377267E-05    0.218891E+02 -0.172354E-06 0.100000E-04    0.960844E+00
 107   -0.768918E-04    0.195894E+02  0.392519E-05 0.100000E-04    0.992542E+00
 108   -0.826845E-04    0.165932E+02  0.498304E-05 0.100000E-04    0.997717E+00
 109    0.579611E-04    0.138864E+02 -0.417396E-05 0.100000E-04    0.994327E+00
 110   -0.386218E-04    0.126529E+02  0.305241E-05 0.100000E-04    0.982059E+00
 111    0.909225E-04    0.116325E+02 -0.781626E-05 0.100000E-04    0.990220E+00
 112   -0.260192E-04    0.939329E+01  0.276998E-05 0.100000E-04    0.996670E+00
 113   -0.245423E-02    0.757990E+01  0.100000E-04 0.100000E-04    0.217300E+00
 114   -0.207083E+00    0.479959E+01 -0.400000E-03 0.400000E-03    0.108895E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4306598618E-01

 Beginning of optimization cycle   89.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3984797849
 potential> RMS force:                                               0.0195762171   |gradient|=.2090168019    
 Eigenvalues of the Hessian matrix:
   718.84644    670.41159    623.12510    603.17365    589.65804    563.82911 
   561.16578    477.95045    470.54799    463.51099    441.55067    431.83049 
   420.27341    405.56807    398.41506    388.32822    366.94080    364.07417 
   352.79577    344.00007    324.06519    323.24260    318.78160    316.47952 
   305.37402    287.31088    279.98126    271.60932    265.78260    262.03763 
   257.66958    253.38214    244.20769    239.58821    234.12721    228.46729 
   224.89937    212.81625    211.13217    209.92242    202.88561    198.62674 
   195.31705    191.64761    186.44375    178.33793    170.68687    168.13560 
   165.76316    160.63638    153.78221    151.05651    148.51134    142.51691 
   136.90151    134.65704    131.01921    127.69562    125.68405    124.49761 
   119.42170    117.96575    116.35066    112.71196    110.26810    105.60786 
   102.82557    100.55379     97.22652     95.03394     91.37717     90.54266 
    88.04595     84.45690     80.88986     79.06070     78.71814     73.05360 
    71.30275     69.48521     67.63894     63.55909     62.29380     59.66078 
    58.54283     55.82504     53.65872     52.32116     50.29892     48.02488 
    43.69673     39.78422     37.57135     36.16751     34.69244     29.64322 
    28.99768     28.71026     23.49382     21.88998     19.58865     16.59657 
    13.88454     12.64844     11.62405      9.39521      7.58085      4.80060 
overlap for current and previous eigenvector    109 is        -0.9999954509
overlap for current and previous eigenvector    110 is        -0.9999903088
overlap for current and previous eigenvector    111 is         0.9999873501
overlap for current and previous eigenvector    112 is         0.9999996061
overlap for current and previous eigenvector    113 is        -0.9999992879
overlap for current and previous eigenvector    114 is         0.9999992519
J1,K1,R1,R2,RAT=   7   7    0.4102520538E-01     1.958809702        0.9588097015    
FOB,PFOB,DIAG,PSTEP=    0.1674397873E-06    0.1746035241E-06     718.8464390       -0.2429141034E-09
J1,K1,R1,R2,RAT=   8   8   -0.6818859922E-02     2.006763646        0.9931811401    
FOB,PFOB,DIAG,PSTEP=   -0.5752859727E-06   -0.5713896393E-06     670.4115882        0.8523203119E-09
J1,K1,R1,R2,RAT=   9   9    0.3569021427E-02     1.996354909        0.9963549086    
FOB,PFOB,DIAG,PSTEP=    0.5890699469E-06    0.5911799611E-06     623.1251035       -0.9487700691E-09
J1,K1,R1,R2,RAT=  10  10   -0.6538660264E-02     2.006479508        0.9934613397    
FOB,PFOB,DIAG,PSTEP=    0.1295246364E-05    0.1286831958E-05     603.1736525       -0.2133498393E-08
J1,K1,R1,R2,RAT=  11  11   -0.3194865452E-02     2.003188497        0.9968051345    
FOB,PFOB,DIAG,PSTEP=   -0.9325308426E-06   -0.9295610108E-06     589.6580400        0.1576445851E-08
J1,K1,R1,R2,RAT= 109 109     2.005504703       -0.5241667972E-02    0.9947583320    
FOB,PFOB,DIAG,PSTEP=   -0.5826484700E-04    0.5796107424E-04     13.88453572       -0.4173956804E-05
J1,K1,R1,R2,RAT= 110 110     2.025778898       -0.2507836247E-01    0.9749216375    
FOB,PFOB,DIAG,PSTEP=    0.3958998767E-04   -0.3862175640E-04     12.64844457        0.3052409566E-05
J1,K1,R1,R2,RAT= 111 111   -0.7046743684E-02     2.008495204        0.9929532563    
FOB,PFOB,DIAG,PSTEP=    0.9156271337E-04    0.9092246971E-04     11.62405236       -0.7816264566E-05
J1,K1,R1,R2,RAT= 112 112    0.1027719638E-01     1.989314530        0.9893145297    
FOB,PFOB,DIAG,PSTEP=   -0.2575175135E-04   -0.2601921049E-04     9.395211790        0.2769977265E-05
J1,K1,R1,R2,RAT= 113 113     65.70439844       -0.9563057160        0.4369428399E-01
FOB,PFOB,DIAG,PSTEP=    0.2526725276E-02   -0.2454229137E-02     7.580853843        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9988899552        -216.6837811        0.1110044771E-02
FOB,PFOB,DIAG,PSTEP=   -0.2090014197       -0.2070833119         4.800598475       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000      0.00000      0.00001      0.00000      0.00001 
     0.00001      0.00002     -0.00001     -0.00000      0.00000      0.00001 
     0.00000      0.00000     -0.00000     -0.00001     -0.00000      0.00001 
     0.00000     -0.00002     -0.00001     -0.00001     -0.00000     -0.00002 
    -0.00003      0.00001      0.00001      0.00001     -0.00001     -0.00001 
    -0.00002     -0.00002      0.00001     -0.00000      0.00002      0.00001 
    -0.00000     -0.00002     -0.00003      0.00001     -0.00003     -0.00001 
     0.00002     -0.00001      0.00002      0.00003      0.00008      0.00003 
    -0.00003     -0.00003      0.00001     -0.00000     -0.00008      0.00008 
    -0.00006      0.00004      0.00009     -0.00003      0.00253     -0.20900 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4367095792
 Log product of positive Hessian eigenvalues =          520.4525109274
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8005984750
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000009
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000046
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000110
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000022
 Unscaled step for mode   17=       -0.0000000021
 Unscaled step for mode   18=       -0.0000000067
 Unscaled step for mode   19=       -0.0000000136
 Unscaled step for mode   20=       -0.0000000181
 Unscaled step for mode   21=       -0.0000000100
 Unscaled step for mode   22=        0.0000000013
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000196
 Unscaled step for mode   26=        0.0000000299
 Unscaled step for mode   27=        0.0000000178
 Unscaled step for mode   28=       -0.0000000163
 Unscaled step for mode   29=        0.0000000189
 Unscaled step for mode   30=        0.0000000141
 Unscaled step for mode   31=        0.0000000048
 Unscaled step for mode   32=        0.0000000000
 Unscaled step for mode   33=       -0.0000000128
 Unscaled step for mode   34=       -0.0000000059
 Unscaled step for mode   35=       -0.0000000393
 Unscaled step for mode   36=       -0.0000000061
 Unscaled step for mode   37=        0.0000000173
 Unscaled step for mode   38=        0.0000000099
 Unscaled step for mode   39=        0.0000000313
 Unscaled step for mode   40=       -0.0000000126
 Unscaled step for mode   41=       -0.0000000168
 Unscaled step for mode   42=        0.0000000081
 Unscaled step for mode   43=       -0.0000000068
 Unscaled step for mode   44=        0.0000000064
 Unscaled step for mode   45=       -0.0000000157
 Unscaled step for mode   46=       -0.0000000186
 Unscaled step for mode   47=        0.0000000532
 Unscaled step for mode   48=        0.0000000054
 Unscaled step for mode   49=       -0.0000000289
 Unscaled step for mode   50=        0.0000000238
 Unscaled step for mode   51=        0.0000000228
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000272
 Unscaled step for mode   54=       -0.0000000112
 Unscaled step for mode   55=        0.0000000532
 Unscaled step for mode   56=       -0.0000000202
 Unscaled step for mode   57=       -0.0000000093
 Unscaled step for mode   58=       -0.0000000459
 Unscaled step for mode   59=       -0.0000000297
 Unscaled step for mode   60=       -0.0000000501
 Unscaled step for mode   61=       -0.0000000396
 Unscaled step for mode   62=       -0.0000001251
 Unscaled step for mode   63=        0.0000000820
 Unscaled step for mode   64=        0.0000000161
 Unscaled step for mode   65=       -0.0000000126
 Unscaled step for mode   66=       -0.0000000926
 Unscaled step for mode   67=       -0.0000000074
 Unscaled step for mode   68=       -0.0000000260
 Unscaled step for mode   69=        0.0000000046
 Unscaled step for mode   70=        0.0000000444
 Unscaled step for mode   71=        0.0000000007
 Unscaled step for mode   72=       -0.0000001325
 Unscaled step for mode   73=       -0.0000000458
 Unscaled step for mode   74=        0.0000001684
 Unscaled step for mode   75=        0.0000001034
 Unscaled step for mode   76=        0.0000001421
 Unscaled step for mode   77=        0.0000000026
 Unscaled step for mode   78=        0.0000002733
 Unscaled step for mode   79=        0.0000003014
 Unscaled step for mode   80=       -0.0000000704
 Unscaled step for mode   81=       -0.0000000923
 Unscaled step for mode   82=       -0.0000001669
 Unscaled step for mode   83=        0.0000001025
 Unscaled step for mode   84=        0.0000001235
 Unscaled step for mode   85=        0.0000002556
 Unscaled step for mode   86=        0.0000003373
 Unscaled step for mode   87=       -0.0000000897
 Unscaled step for mode   88=        0.0000000075
 Unscaled step for mode   89=       -0.0000003279
 Unscaled step for mode   90=       -0.0000001592
 Unscaled step for mode   91=        0.0000000195
 Unscaled step for mode   92=        0.0000003836
 Unscaled step for mode   93=        0.0000005438
 Unscaled step for mode   94=       -0.0000002414
 Unscaled step for mode   95=        0.0000005565
 Unscaled step for mode   96=        0.0000001600
 Unscaled step for mode   97=       -0.0000003730
 Unscaled step for mode   98=        0.0000002986
 Unscaled step for mode   99=       -0.0000005483
 Unscaled step for mode  100=       -0.0000007641
 Unscaled step for mode  101=       -0.0000022486
 Unscaled step for mode  102=       -0.0000010831
 Unscaled step for mode  103=        0.0000008868
 Unscaled step for mode  104=        0.0000012076
 Unscaled step for mode  105=       -0.0000006220
 Unscaled step for mode  106=        0.0000001771
 Unscaled step for mode  107=        0.0000039630
 Unscaled step for mode  108=       -0.0000049890
 Unscaled step for mode  109=        0.0000041964
 Unscaled step for mode  110=       -0.0000031300
 Unscaled step for mode  111=       -0.0000078770
 Unscaled step for mode  112=        0.0000027409
 Unscaled step for mode  113=       -0.0003333035
 Unscaled step for mode  114=       -0.0434543251
 Largest modulus ratio of non-zero e/values=           149.7410047    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.299240E-16    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.640763E-16    0.100770E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.522043E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.979800E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.117961E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.353396E-15    0.973501E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.167440E-06    0.718846E+03 -0.232928E-09 0.100000E-04    0.958810E+00
   8   -0.575286E-06    0.670412E+03  0.858109E-09 0.100000E-04    0.993181E+00
   9    0.589070E-06    0.623125E+03 -0.945348E-09 0.100000E-04    0.996355E+00
  10    0.129525E-05    0.603174E+03 -0.214739E-08 0.100000E-04    0.993461E+00
  11   -0.932531E-06    0.589658E+03  0.158148E-08 0.100000E-04    0.996805E+00
  12    0.257344E-05    0.563829E+03 -0.456421E-08 0.100000E-04    0.997541E+00
  13    0.202214E-05    0.561166E+03 -0.360346E-08 0.100000E-04    0.999800E+00
  14   -0.524578E-05    0.477950E+03  0.109756E-07 0.100000E-04    0.996581E+00
  15    0.158715E-05    0.470548E+03 -0.337299E-08 0.100000E-04    0.998290E+00
  16    0.103326E-05    0.463511E+03 -0.222919E-08 0.100000E-04    0.982276E+00
  17    0.925234E-06    0.441551E+03 -0.209542E-08 0.100000E-04    0.978295E+00
  18    0.288183E-05    0.431830E+03 -0.667351E-08 0.100000E-04    0.995704E+00
  19    0.573157E-05    0.420273E+03 -0.136377E-07 0.100000E-04    0.992110E+00
  20    0.734366E-05    0.405568E+03 -0.181071E-07 0.100000E-04    0.995370E+00
  21    0.399006E-05    0.398415E+03 -0.100148E-07 0.100000E-04    0.991795E+00
  22   -0.502170E-06    0.388328E+03  0.129316E-08 0.100000E-04    0.969105E+00
  23   -0.197866E-05    0.366941E+03  0.539232E-08 0.100000E-04    0.999801E+00
  24    0.185552E-05    0.364074E+03 -0.509655E-08 0.100000E-04    0.998236E+00
  25   -0.692529E-05    0.352796E+03  0.196297E-07 0.100000E-04    0.992467E+00
  26   -0.102748E-04    0.344000E+03  0.298686E-07 0.100000E-04    0.990973E+00
  27   -0.576835E-05    0.324065E+03  0.178000E-07 0.100000E-04    0.995124E+00
  28    0.525956E-05    0.323243E+03 -0.162713E-07 0.100000E-04    0.997192E+00
  29   -0.602951E-05    0.318782E+03  0.189142E-07 0.100000E-04    0.989332E+00
  30   -0.446480E-05    0.316480E+03  0.141077E-07 0.100000E-04    0.987641E+00
  31   -0.145532E-05    0.305374E+03  0.476569E-08 0.100000E-04    0.987558E+00
  32   -0.128103E-07    0.287311E+03  0.445869E-10 0.100000E-04    0.324419E+01
  33    0.357067E-05    0.279981E+03 -0.127533E-07 0.100000E-04    0.991061E+00
  34    0.159154E-05    0.271609E+03 -0.585966E-08 0.100000E-04    0.985791E+00
  35    0.104447E-04    0.265783E+03 -0.392981E-07 0.100000E-04    0.992446E+00
  36    0.160319E-05    0.262038E+03 -0.611815E-08 0.100000E-04    0.981557E+00
  37   -0.445653E-05    0.257670E+03  0.172955E-07 0.100000E-04    0.991115E+00
  38   -0.250415E-05    0.253382E+03  0.988291E-08 0.100000E-04    0.996174E+00
  39   -0.764755E-05    0.244208E+03  0.313157E-07 0.100000E-04    0.990896E+00
  40    0.301818E-05    0.239588E+03 -0.125973E-07 0.100000E-04    0.983042E+00
  41    0.392380E-05    0.234127E+03 -0.167592E-07 0.100000E-04    0.983903E+00
  42   -0.184459E-05    0.228467E+03  0.807376E-08 0.100000E-04    0.986952E+00
  43    0.153697E-05    0.224899E+03 -0.683403E-08 0.100000E-04    0.991762E+00
  44   -0.135334E-05    0.212816E+03  0.635918E-08 0.100000E-04    0.979103E+00
  45    0.331109E-05    0.211132E+03 -0.156825E-07 0.100000E-04    0.996942E+00
  46    0.389936E-05    0.209922E+03 -0.185752E-07 0.100000E-04    0.986360E+00
  47   -0.107986E-04    0.202886E+03  0.532249E-07 0.100000E-04    0.991490E+00
  48   -0.107883E-05    0.198627E+03  0.543144E-08 0.100000E-04    0.991941E+00
  49    0.564415E-05    0.195317E+03 -0.288974E-07 0.100000E-04    0.989821E+00
  50   -0.455338E-05    0.191648E+03  0.237591E-07 0.100000E-04    0.990036E+00
  51   -0.424794E-05    0.186444E+03  0.227840E-07 0.100000E-04    0.993054E+00
  52    0.453928E-06    0.178338E+03 -0.254532E-08 0.100000E-04    0.997333E+00
  53   -0.463572E-05    0.170687E+03  0.271592E-07 0.100000E-04    0.994265E+00
  54    0.188152E-05    0.168136E+03 -0.111905E-07 0.100000E-04    0.985547E+00
  55   -0.882063E-05    0.165763E+03  0.532122E-07 0.100000E-04    0.992628E+00
  56    0.325136E-05    0.160636E+03 -0.202405E-07 0.100000E-04    0.990229E+00
  57    0.142411E-05    0.153782E+03 -0.926058E-08 0.100000E-04    0.996221E+00
  58    0.693069E-05    0.151057E+03 -0.458814E-07 0.100000E-04    0.991346E+00
  59    0.441412E-05    0.148511E+03 -0.297225E-07 0.100000E-04    0.994295E+00
  60    0.714130E-05    0.142517E+03 -0.501085E-07 0.100000E-04    0.993454E+00
  61    0.542057E-05    0.136902E+03 -0.395947E-07 0.100000E-04    0.989599E+00
  62    0.168442E-04    0.134657E+03 -0.125089E-06 0.100000E-04    0.992683E+00
  63   -0.107442E-04    0.131019E+03  0.820044E-07 0.100000E-04    0.991117E+00
  64   -0.205332E-05    0.127696E+03  0.160798E-07 0.100000E-04    0.987040E+00
  65    0.158482E-05    0.125684E+03 -0.126096E-07 0.100000E-04    0.999529E+00
  66    0.115256E-04    0.124498E+03 -0.925767E-07 0.100000E-04    0.991054E+00
  67    0.880156E-06    0.119422E+03 -0.737016E-08 0.100000E-04    0.999378E+00
  68    0.306608E-05    0.117966E+03 -0.259913E-07 0.100000E-04    0.990043E+00
  69   -0.537368E-06    0.116351E+03  0.461852E-08 0.100000E-04    0.968331E+00
  70   -0.500907E-05    0.112712E+03  0.444413E-07 0.100000E-04    0.987732E+00
  71   -0.783171E-07    0.110268E+03  0.710242E-09 0.100000E-04    0.872056E+00
  72    0.139928E-04    0.105608E+03 -0.132498E-06 0.100000E-04    0.989051E+00
  73    0.470687E-05    0.102826E+03 -0.457753E-07 0.100000E-04    0.984672E+00
  74   -0.169317E-04    0.100554E+03  0.168385E-06 0.100000E-04    0.991390E+00
  75   -0.100540E-04    0.972265E+02  0.103408E-06 0.100000E-04    0.988599E+00
  76   -0.135025E-04    0.950339E+02  0.142081E-06 0.100000E-04    0.990828E+00
  77   -0.240753E-06    0.913772E+02  0.263471E-08 0.100000E-04    0.969223E+00
  78   -0.247410E-04    0.905427E+02  0.273252E-06 0.100000E-04    0.991263E+00
  79   -0.265347E-04    0.880460E+02  0.301373E-06 0.100000E-04    0.993908E+00
  80    0.594185E-05    0.844569E+02 -0.703536E-07 0.100000E-04    0.988838E+00
  81    0.747009E-05    0.808899E+02 -0.923489E-07 0.100000E-04    0.989926E+00
  82    0.131965E-04    0.790607E+02 -0.166916E-06 0.100000E-04    0.992472E+00
  83   -0.806826E-05    0.787181E+02  0.102496E-06 0.100000E-04    0.996235E+00
  84   -0.902090E-05    0.730536E+02  0.123483E-06 0.100000E-04    0.987464E+00
  85   -0.182259E-04    0.713028E+02  0.255612E-06 0.100000E-04    0.991167E+00
  86   -0.234373E-04    0.694852E+02  0.337299E-06 0.100000E-04    0.992262E+00
  87    0.606709E-05    0.676389E+02 -0.896982E-07 0.100000E-04    0.998164E+00
  88   -0.476696E-06    0.635591E+02  0.750004E-08 0.100000E-04    0.914003E+00
  89    0.204281E-04    0.622938E+02 -0.327932E-06 0.100000E-04    0.991079E+00
  90    0.950076E-05    0.596608E+02 -0.159246E-06 0.100000E-04    0.988017E+00
  91   -0.113872E-05    0.585428E+02  0.194511E-07 0.100000E-04    0.990124E+00
  92   -0.214147E-04    0.558250E+02  0.383605E-06 0.100000E-04    0.989870E+00
  93   -0.291780E-04    0.536587E+02  0.543770E-06 0.100000E-04    0.993124E+00
  94    0.126288E-04    0.523212E+02 -0.241370E-06 0.100000E-04    0.986993E+00
  95   -0.279935E-04    0.502989E+02  0.556542E-06 0.100000E-04    0.994113E+00
  96   -0.768306E-05    0.480249E+02  0.159981E-06 0.100000E-04    0.996036E+00
  97    0.163009E-04    0.436967E+02 -0.373047E-06 0.100000E-04    0.990492E+00
  98   -0.118807E-04    0.397842E+02  0.298629E-06 0.100000E-04    0.992563E+00
  99    0.206003E-04    0.375713E+02 -0.548297E-06 0.100000E-04    0.982543E+00
 100    0.276356E-04    0.361675E+02 -0.764101E-06 0.100000E-04    0.993294E+00
 101    0.780078E-04    0.346924E+02 -0.224855E-05 0.100000E-04    0.992369E+00
 102    0.321052E-04    0.296432E+02 -0.108305E-05 0.100000E-04    0.990286E+00
 103   -0.257142E-04    0.289977E+02  0.886766E-06 0.100000E-04    0.991834E+00
 104   -0.346711E-04    0.287103E+02  0.120762E-05 0.100000E-04    0.992662E+00
 105    0.146134E-04    0.234938E+02 -0.622009E-06 0.100000E-04    0.987539E+00
 106   -0.387699E-05    0.218900E+02  0.177112E-06 0.100000E-04    0.972351E+00
 107   -0.776303E-04    0.195887E+02  0.396303E-05 0.100000E-04    0.990396E+00
 108    0.828002E-04    0.165966E+02 -0.498899E-05 0.100000E-04    0.998601E+00
 109   -0.582648E-04    0.138845E+02  0.419638E-05 0.100000E-04    0.994758E+00
 110    0.395900E-04    0.126484E+02 -0.313003E-05 0.100000E-04    0.974922E+00
 111    0.915627E-04    0.116241E+02 -0.787700E-05 0.100000E-04    0.992953E+00
 112   -0.257518E-04    0.939521E+01  0.274094E-05 0.100000E-04    0.989315E+00
 113    0.252673E-02    0.758085E+01 -0.109000E-04 0.109000E-04    0.436943E-01
 114   -0.209001E+00    0.480060E+01 -0.400000E-03 0.400000E-03    0.111004E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4345432511E-01

 Beginning of optimization cycle   90.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3983958285
 potential> RMS force:                                               0.0197559599   |gradient|=.2109359299    
 Eigenvalues of the Hessian matrix:
   718.90574    670.42999    623.14866    603.19145    589.65974    563.85105 
   561.20403    477.96575    470.52574    463.49911    441.54746    431.81968 
   420.28115    405.57884    398.41152    388.33318    366.94167    364.06367 
   352.78564    343.95970    324.07048    323.21667    318.77343    316.49810 
   305.37237    287.31246    279.97777    271.60222    265.78147    262.04477 
   257.67110    253.38312    244.19294    239.57732    234.13732    228.47010 
   224.88091    212.81131    211.13414    209.91537    202.88766    198.62176 
   195.32018    191.64648    186.43923    178.32309    170.68797    168.13471 
   165.76186    160.63353    153.77645    151.05592    148.51830    142.52139 
   136.90213    134.66142    131.01851    127.69496    125.68756    124.50516 
   119.42175    117.96490    116.35464    112.70502    110.26078    105.60394 
   102.82545    100.54947     97.22607     95.03482     91.37073     90.54820 
    88.05735     84.45793     80.88945     79.06367     78.71675     73.05071 
    71.30584     69.47656     67.64255     63.55551     62.28892     59.66071 
    58.54595     55.82485     53.65713     52.31960     50.29926     48.02420 
    43.69219     39.78721     37.56350     36.16936     34.69903     29.63379 
    28.99646     28.71072     23.48843     21.89083     19.58799     16.59992 
    13.88272     12.64405     11.61555      9.39713      7.58178      4.80156 
overlap for current and previous eigenvector    109 is        -0.9999955060
overlap for current and previous eigenvector    110 is        -0.9999903783
overlap for current and previous eigenvector    111 is         0.9999873911
overlap for current and previous eigenvector    112 is         0.9999996041
overlap for current and previous eigenvector    113 is        -0.9999992887
overlap for current and previous eigenvector    114 is         0.9999992565
J1,K1,R1,R2,RAT=   7   7    0.2412062707E-01     1.975714403        0.9757144028    
FOB,PFOB,DIAG,PSTEP=    0.1634007015E-06    0.1674397873E-06     718.9057380       -0.2329284507E-09
J1,K1,R1,R2,RAT=   8   8   -0.3564170943E-01     2.035586826        0.9643582906    
FOB,PFOB,DIAG,PSTEP=   -0.5957907109E-06   -0.5752859727E-06     670.4299858        0.8581086348E-09
J1,K1,R1,R2,RAT=   9   9   -0.1591122940E-01     2.015835617        0.9840887706    
FOB,PFOB,DIAG,PSTEP=    0.5984431283E-06    0.5890699469E-06     623.1486622       -0.9453478019E-09
J1,K1,R1,R2,RAT=  10  10   -0.6365420931E-03     2.000577517        0.9993634579    
FOB,PFOB,DIAG,PSTEP=    0.1296070867E-05    0.1295246364E-05     603.1914542       -0.2147385514E-08
J1,K1,R1,R2,RAT=  11  11   -0.5335232167E-03     2.000527760        0.9994664768    
FOB,PFOB,DIAG,PSTEP=   -0.9330283709E-06   -0.9325308426E-06     589.6597390        0.1581477364E-08
J1,K1,R1,R2,RAT= 109 109     2.005777262       -0.5516145548E-02    0.9944838545    
FOB,PFOB,DIAG,PSTEP=    0.5858620242E-04   -0.5826484700E-04     13.88272321        0.4196384249E-05
J1,K1,R1,R2,RAT= 110 110     2.018164870       -0.1747023061E-01    0.9825297694    
FOB,PFOB,DIAG,PSTEP=   -0.4028139375E-04    0.3958998767E-04     12.64405304       -0.3130028159E-05
J1,K1,R1,R2,RAT= 111 111   -0.9551491187E-02     2.011016225        0.9904485088    
FOB,PFOB,DIAG,PSTEP=    0.9243663379E-04    0.9156271337E-04     11.61554552       -0.7877004553E-05
J1,K1,R1,R2,RAT= 112 112    0.3288569226E-02     1.996302762        0.9963027624    
FOB,PFOB,DIAG,PSTEP=   -0.2566704763E-04   -0.2575175135E-04     9.397131945        0.2740944210E-05
J1,K1,R1,R2,RAT= 113 113     61.95028179       -0.8011294215        0.1988705785    
FOB,PFOB,DIAG,PSTEP=   -0.2592931720E-02    0.2526725276E-02     7.581778304       -0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9988741801        -218.6378108        0.1125819937E-02
FOB,PFOB,DIAG,PSTEP=   -0.2109198827       -0.2090014197         4.801563152       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
     0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00001 
     0.00000      0.00000     -0.00000     -0.00001      0.00000      0.00001 
    -0.00000     -0.00002     -0.00001      0.00001     -0.00000     -0.00003 
    -0.00003     -0.00001     -0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00002     -0.00001      0.00000      0.00002     -0.00001 
    -0.00000     -0.00002      0.00003      0.00001      0.00003      0.00001 
     0.00002      0.00001      0.00002     -0.00003     -0.00008     -0.00003 
    -0.00003     -0.00003     -0.00001     -0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00009     -0.00003     -0.00259     -0.21092 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4367626295
 Log product of positive Hessian eigenvalues =          520.4511046137
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8015631525
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000009
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000046
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000110
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000022
 Unscaled step for mode   17=       -0.0000000021
 Unscaled step for mode   18=       -0.0000000067
 Unscaled step for mode   19=       -0.0000000137
 Unscaled step for mode   20=       -0.0000000182
 Unscaled step for mode   21=       -0.0000000101
 Unscaled step for mode   22=        0.0000000013
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000198
 Unscaled step for mode   26=        0.0000000301
 Unscaled step for mode   27=        0.0000000179
 Unscaled step for mode   28=        0.0000000163
 Unscaled step for mode   29=        0.0000000192
 Unscaled step for mode   30=        0.0000000143
 Unscaled step for mode   31=        0.0000000049
 Unscaled step for mode   32=        0.0000000001
 Unscaled step for mode   33=       -0.0000000128
 Unscaled step for mode   34=       -0.0000000059
 Unscaled step for mode   35=       -0.0000000397
 Unscaled step for mode   36=       -0.0000000062
 Unscaled step for mode   37=        0.0000000175
 Unscaled step for mode   38=        0.0000000100
 Unscaled step for mode   39=        0.0000000316
 Unscaled step for mode   40=       -0.0000000128
 Unscaled step for mode   41=       -0.0000000170
 Unscaled step for mode   42=        0.0000000082
 Unscaled step for mode   43=       -0.0000000069
 Unscaled step for mode   44=        0.0000000067
 Unscaled step for mode   45=       -0.0000000158
 Unscaled step for mode   46=       -0.0000000189
 Unscaled step for mode   47=        0.0000000538
 Unscaled step for mode   48=        0.0000000054
 Unscaled step for mode   49=       -0.0000000292
 Unscaled step for mode   50=        0.0000000239
 Unscaled step for mode   51=        0.0000000230
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000274
 Unscaled step for mode   54=       -0.0000000114
 Unscaled step for mode   55=        0.0000000537
 Unscaled step for mode   56=       -0.0000000203
 Unscaled step for mode   57=        0.0000000094
 Unscaled step for mode   58=        0.0000000462
 Unscaled step for mode   59=       -0.0000000301
 Unscaled step for mode   60=        0.0000000507
 Unscaled step for mode   61=       -0.0000000399
 Unscaled step for mode   62=        0.0000001260
 Unscaled step for mode   63=        0.0000000825
 Unscaled step for mode   64=       -0.0000000163
 Unscaled step for mode   65=       -0.0000000125
 Unscaled step for mode   66=        0.0000000933
 Unscaled step for mode   67=       -0.0000000075
 Unscaled step for mode   68=       -0.0000000262
 Unscaled step for mode   69=        0.0000000045
 Unscaled step for mode   70=        0.0000000452
 Unscaled step for mode   71=       -0.0000000007
 Unscaled step for mode   72=       -0.0000001336
 Unscaled step for mode   73=        0.0000000465
 Unscaled step for mode   74=        0.0000001696
 Unscaled step for mode   75=        0.0000001049
 Unscaled step for mode   76=       -0.0000001434
 Unscaled step for mode   77=        0.0000000029
 Unscaled step for mode   78=        0.0000002762
 Unscaled step for mode   79=        0.0000003030
 Unscaled step for mode   80=        0.0000000712
 Unscaled step for mode   81=        0.0000000932
 Unscaled step for mode   82=       -0.0000001679
 Unscaled step for mode   83=       -0.0000001026
 Unscaled step for mode   84=       -0.0000001246
 Unscaled step for mode   85=       -0.0000002574
 Unscaled step for mode   86=       -0.0000003399
 Unscaled step for mode   87=        0.0000000891
 Unscaled step for mode   88=       -0.0000000073
 Unscaled step for mode   89=       -0.0000003305
 Unscaled step for mode   90=        0.0000001603
 Unscaled step for mode   91=        0.0000000192
 Unscaled step for mode   92=        0.0000003882
 Unscaled step for mode   93=       -0.0000005466
 Unscaled step for mode   94=       -0.0000002436
 Unscaled step for mode   95=       -0.0000005592
 Unscaled step for mode   96=       -0.0000001611
 Unscaled step for mode   97=       -0.0000003759
 Unscaled step for mode   98=       -0.0000003009
 Unscaled step for mode   99=       -0.0000005552
 Unscaled step for mode  100=        0.0000007677
 Unscaled step for mode  101=        0.0000022652
 Unscaled step for mode  102=        0.0000010889
 Unscaled step for mode  103=        0.0000008929
 Unscaled step for mode  104=        0.0000012124
 Unscaled step for mode  105=        0.0000006320
 Unscaled step for mode  106=        0.0000001699
 Unscaled step for mode  107=        0.0000039919
 Unscaled step for mode  108=        0.0000049983
 Unscaled step for mode  109=       -0.0000042201
 Unscaled step for mode  110=        0.0000031858
 Unscaled step for mode  111=       -0.0000079580
 Unscaled step for mode  112=        0.0000027314
 Unscaled step for mode  113=        0.0003419952
 Unscaled step for mode  114=       -0.0438428999
 Largest modulus ratio of non-zero e/values=           149.7232703    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.867362E-18    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.551425E-15    0.100770E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.896418E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.511906E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.148649E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.309472E-15    0.973503E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.163401E-06    0.718906E+03 -0.227291E-09 0.100000E-04    0.975714E+00
   8   -0.595791E-06    0.670430E+03  0.888670E-09 0.100000E-04    0.964358E+00
   9    0.598443E-06    0.623149E+03 -0.960354E-09 0.100000E-04    0.984089E+00
  10    0.129607E-05    0.603191E+03 -0.214869E-08 0.100000E-04    0.999363E+00
  11   -0.933028E-06    0.589660E+03  0.158232E-08 0.100000E-04    0.999466E+00
  12    0.258948E-05    0.563851E+03 -0.459249E-08 0.100000E-04    0.993765E+00
  13    0.200967E-05    0.561204E+03 -0.358100E-08 0.100000E-04    0.993699E+00
  14   -0.526000E-05    0.477966E+03  0.110050E-07 0.100000E-04    0.997290E+00
  15    0.159759E-05    0.470526E+03 -0.339533E-08 0.100000E-04    0.993423E+00
  16    0.104225E-05    0.463499E+03 -0.224866E-08 0.100000E-04    0.991295E+00
  17    0.931154E-06    0.441547E+03 -0.210884E-08 0.100000E-04    0.993602E+00
  18    0.290117E-05    0.431820E+03 -0.671848E-08 0.100000E-04    0.993286E+00
  19    0.577327E-05    0.420281E+03 -0.137367E-07 0.100000E-04    0.992725E+00
  20    0.736842E-05    0.405579E+03 -0.181677E-07 0.100000E-04    0.996628E+00
  21    0.401799E-05    0.398412E+03 -0.100850E-07 0.100000E-04    0.993000E+00
  22   -0.489290E-06    0.388333E+03  0.125997E-08 0.100000E-04    0.974325E+00
  23   -0.197663E-05    0.366942E+03  0.538678E-08 0.100000E-04    0.998970E+00
  24    0.185930E-05    0.364064E+03 -0.510708E-08 0.100000E-04    0.997963E+00
  25   -0.698056E-05    0.352786E+03  0.197870E-07 0.100000E-04    0.992019E+00
  26   -0.103665E-04    0.343960E+03  0.301388E-07 0.100000E-04    0.991072E+00
  27   -0.580517E-05    0.324070E+03  0.179133E-07 0.100000E-04    0.993617E+00
  28   -0.527812E-05    0.323217E+03  0.163300E-07 0.100000E-04    0.996472E+00
  29   -0.611184E-05    0.318773E+03  0.191730E-07 0.100000E-04    0.986345E+00
  30   -0.451668E-05    0.316498E+03  0.142708E-07 0.100000E-04    0.988381E+00
  31   -0.148642E-05    0.305372E+03  0.486756E-08 0.100000E-04    0.978630E+00
  32   -0.230540E-07    0.287312E+03  0.802403E-10 0.100000E-04    0.200354E+00
  33    0.359767E-05    0.279978E+03 -0.128498E-07 0.100000E-04    0.992440E+00
  34    0.159954E-05    0.271602E+03 -0.588928E-08 0.100000E-04    0.994970E+00
  35    0.105382E-04    0.265781E+03 -0.396501E-07 0.100000E-04    0.991048E+00
  36    0.162490E-05    0.262045E+03 -0.620084E-08 0.100000E-04    0.986458E+00
  37   -0.450104E-05    0.257671E+03  0.174682E-07 0.100000E-04    0.990013E+00
  38   -0.252702E-05    0.253383E+03  0.997311E-08 0.100000E-04    0.990869E+00
  39   -0.770969E-05    0.244193E+03  0.315721E-07 0.100000E-04    0.991873E+00
  40    0.307822E-05    0.239577E+03 -0.128485E-07 0.100000E-04    0.980106E+00
  41    0.398430E-05    0.234137E+03 -0.170169E-07 0.100000E-04    0.984582E+00
  42   -0.187082E-05    0.228470E+03  0.818848E-08 0.100000E-04    0.985778E+00
  43    0.156154E-05    0.224881E+03 -0.694384E-08 0.100000E-04    0.984014E+00
  44   -0.141583E-05    0.212811E+03  0.665300E-08 0.100000E-04    0.953818E+00
  45    0.332886E-05    0.211134E+03 -0.157666E-07 0.100000E-04    0.994633E+00
  46    0.397408E-05    0.209915E+03 -0.189318E-07 0.100000E-04    0.980836E+00
  47   -0.109124E-04    0.202888E+03  0.537853E-07 0.100000E-04    0.989461E+00
  48   -0.107139E-05    0.198622E+03  0.539411E-08 0.100000E-04    0.993102E+00
  49    0.571211E-05    0.195320E+03 -0.292449E-07 0.100000E-04    0.987959E+00
  50   -0.457980E-05    0.191646E+03  0.238971E-07 0.100000E-04    0.994199E+00
  51   -0.429323E-05    0.186439E+03  0.230275E-07 0.100000E-04    0.989339E+00
  52    0.452836E-06    0.178323E+03 -0.253941E-08 0.100000E-04    0.997595E+00
  53   -0.467692E-05    0.170688E+03  0.274004E-07 0.100000E-04    0.991112E+00
  54    0.191820E-05    0.168135E+03 -0.114087E-07 0.100000E-04    0.980506E+00
  55   -0.889568E-05    0.165762E+03  0.536654E-07 0.100000E-04    0.991491E+00
  56    0.326768E-05    0.160634E+03 -0.203425E-07 0.100000E-04    0.994981E+00
  57   -0.144121E-05    0.153776E+03  0.937210E-08 0.100000E-04    0.987995E+00
  58   -0.698096E-05    0.151056E+03  0.462144E-07 0.100000E-04    0.992747E+00
  59    0.446560E-05    0.148518E+03 -0.300676E-07 0.100000E-04    0.988340E+00
  60   -0.722483E-05    0.142521E+03  0.506930E-07 0.100000E-04    0.988304E+00
  61    0.546435E-05    0.136902E+03 -0.399143E-07 0.100000E-04    0.991924E+00
  62   -0.169627E-04    0.134661E+03  0.125966E-06 0.100000E-04    0.992963E+00
  63   -0.108142E-04    0.131019E+03  0.825397E-07 0.100000E-04    0.993478E+00
  64    0.208553E-05    0.127695E+03 -0.163321E-07 0.100000E-04    0.984315E+00
  65    0.156920E-05    0.125688E+03 -0.124849E-07 0.100000E-04    0.990087E+00
  66   -0.116167E-04    0.124505E+03  0.933028E-07 0.100000E-04    0.992096E+00
  67    0.892736E-06    0.119422E+03 -0.747549E-08 0.100000E-04    0.985707E+00
  68    0.309447E-05    0.117965E+03 -0.262321E-07 0.100000E-04    0.990741E+00
  69   -0.525968E-06    0.116355E+03  0.452038E-08 0.100000E-04    0.978718E+00
  70   -0.508917E-05    0.112705E+03  0.451548E-07 0.100000E-04    0.984008E+00
  71    0.741766E-07    0.110261E+03 -0.672738E-09 0.100000E-04    0.947129E+00
  72    0.141097E-04    0.105604E+03 -0.133610E-06 0.100000E-04    0.991645E+00
  73   -0.478469E-05    0.102825E+03  0.465322E-07 0.100000E-04    0.983466E+00
  74   -0.170539E-04    0.100549E+03  0.169607E-06 0.100000E-04    0.992785E+00
  75   -0.101949E-04    0.972261E+02  0.104857E-06 0.100000E-04    0.985988E+00
  76    0.136296E-04    0.950348E+02 -0.143417E-06 0.100000E-04    0.990587E+00
  77   -0.264524E-06    0.913707E+02  0.289506E-08 0.100000E-04    0.901257E+00
  78   -0.250112E-04    0.905482E+02  0.276220E-06 0.100000E-04    0.989079E+00
  79   -0.266847E-04    0.880574E+02  0.303037E-06 0.100000E-04    0.994349E+00
  80   -0.601426E-05    0.844579E+02  0.712101E-07 0.100000E-04    0.987814E+00
  81   -0.753541E-05    0.808895E+02  0.931568E-07 0.100000E-04    0.991257E+00
  82    0.132739E-04    0.790637E+02 -0.167889E-06 0.100000E-04    0.994133E+00
  83    0.807248E-05    0.787168E+02 -0.102551E-06 0.100000E-04    0.999477E+00
  84    0.910532E-05    0.730507E+02 -0.124644E-06 0.100000E-04    0.990641E+00
  85    0.183521E-04    0.713058E+02 -0.257371E-06 0.100000E-04    0.993077E+00
  86    0.236167E-04    0.694766E+02 -0.339923E-06 0.100000E-04    0.992348E+00
  87   -0.602370E-05    0.676426E+02  0.890519E-07 0.100000E-04    0.992741E+00
  88    0.466377E-06    0.635555E+02 -0.733811E-08 0.100000E-04    0.978353E+00
  89    0.205866E-04    0.622889E+02 -0.330502E-06 0.100000E-04    0.992240E+00
  90   -0.956419E-05    0.596607E+02  0.160310E-06 0.100000E-04    0.993324E+00
  91   -0.112243E-05    0.585460E+02  0.191718E-07 0.100000E-04    0.985586E+00
  92   -0.216687E-04    0.558249E+02  0.388155E-06 0.100000E-04    0.988141E+00
  93    0.293306E-04    0.536571E+02 -0.546629E-06 0.100000E-04    0.994772E+00
  94    0.127426E-04    0.523196E+02 -0.243554E-06 0.100000E-04    0.990984E+00
  95    0.281256E-04    0.502993E+02 -0.559165E-06 0.100000E-04    0.995281E+00
  96    0.773838E-05    0.480242E+02 -0.161135E-06 0.100000E-04    0.992799E+00
  97    0.164239E-04    0.436922E+02 -0.375901E-06 0.100000E-04    0.992453E+00
  98    0.119706E-04    0.397872E+02 -0.300865E-06 0.100000E-04    0.992435E+00
  99    0.208538E-04    0.375635E+02 -0.555162E-06 0.100000E-04    0.987688E+00
 100   -0.277664E-04    0.361694E+02  0.767677E-06 0.100000E-04    0.995269E+00
 101   -0.786012E-04    0.346990E+02  0.226523E-05 0.100000E-04    0.992393E+00
 102   -0.322682E-04    0.296338E+02  0.108890E-05 0.100000E-04    0.994921E+00
 103   -0.258906E-04    0.289965E+02  0.892888E-06 0.100000E-04    0.993139E+00
 104   -0.348091E-04    0.287107E+02  0.121241E-05 0.100000E-04    0.996019E+00
 105   -0.148448E-04    0.234884E+02  0.632005E-06 0.100000E-04    0.984159E+00
 106   -0.371982E-05    0.218908E+02  0.169926E-06 0.100000E-04    0.959386E+00
 107   -0.781929E-04    0.195880E+02  0.399188E-05 0.100000E-04    0.992753E+00
 108   -0.829712E-04    0.165999E+02  0.499829E-05 0.100000E-04    0.997935E+00
 109    0.585862E-04    0.138827E+02 -0.422008E-05 0.100000E-04    0.994484E+00
 110   -0.402814E-04    0.126441E+02  0.318580E-05 0.100000E-04    0.982530E+00
 111    0.924366E-04    0.116155E+02 -0.795801E-05 0.100000E-04    0.990449E+00
 112   -0.256670E-04    0.939713E+01  0.273137E-05 0.100000E-04    0.996303E+00
 113   -0.259293E-02    0.758178E+01  0.118810E-04 0.118810E-04    0.198871E+00
 114   -0.210920E+00    0.480156E+01 -0.400000E-03 0.400000E-03    0.112582E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4384289987E-01

 Beginning of optimization cycle   91.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3983111079
 potential> RMS force:                                               0.0199357277   |gradient|=.2128553246    
 Eigenvalues of the Hessian matrix:
   718.96499    670.44827    623.17208    603.20923    589.66126    563.87299 
   561.24234    477.98108    470.50348    463.48728    441.54429    431.80897 
   420.28894    405.58964    398.40798    388.33811    366.94260    364.05314 
   352.77561    343.91940    324.07582    323.19091    318.76512    316.51661 
   305.37072    287.31408    279.97426    271.59519    265.78039    262.05201 
   257.67276    253.38413    244.17827    239.56646    234.14749    228.47292 
   224.86247    212.80648    211.13629    209.90813    202.88975    198.61681 
   195.32331    191.64538    186.43463    178.30823    170.68910    168.13382 
   165.76057    160.63062    153.77075    151.05533    148.52522    142.52582 
   136.90274    134.66583    131.01778    127.69431    125.69108    124.51269 
   119.42181    117.96405    116.35860    112.69806    110.25337    105.59999 
   102.82535    100.54516     97.22557     95.03569     91.36430     90.55379 
    88.06878     84.45898     80.88907     79.06666     78.71533     73.04781 
    71.30889     69.46788     67.64611     63.55200     62.28392     59.66064 
    58.54906     55.82466     53.65549     52.31804     50.29959     48.02350 
    43.68765     39.79018     37.55564     36.17110     34.70564     29.62436 
    28.99524     28.71119     23.48306     21.89169     19.58735     16.60324 
    13.88092     12.63970     11.60695      9.39905      7.58267      4.80249 
overlap for current and previous eigenvector    109 is         0.9999955612
overlap for current and previous eigenvector    110 is         0.9999904554
overlap for current and previous eigenvector    111 is         0.9999874407
overlap for current and previous eigenvector    112 is         0.9999996019
overlap for current and previous eigenvector    113 is         0.9999992891
overlap for current and previous eigenvector    114 is         0.9999992610
J1,K1,R1,R2,RAT=   7   7    0.2446551278E-01     1.975369655        0.9753696551    
FOB,PFOB,DIAG,PSTEP=    0.1594026901E-06    0.1634007015E-06     718.9649922       -0.2272908573E-09
J1,K1,R1,R2,RAT=   8   8   -0.3583993431E-01     2.035785398        0.9641600657    
FOB,PFOB,DIAG,PSTEP=   -0.6171443931E-06   -0.5957907109E-06     670.4482676        0.8886695457E-09
J1,K1,R1,R2,RAT=   9   9   -0.1636913958E-01     2.016293986        0.9836308604    
FOB,PFOB,DIAG,PSTEP=    0.6082394955E-06    0.5984431283E-06     623.1720791       -0.9603537078E-09
J1,K1,R1,R2,RAT=  10  10   -0.3484656130E-03     2.000289541        0.9996515344    
FOB,PFOB,DIAG,PSTEP=    0.1296522516E-05    0.1296070867E-05     603.2092261       -0.2148689040E-08
J1,K1,R1,R2,RAT=  11  11   -0.1452227275E-03     2.000140081        0.9998547773    
FOB,PFOB,DIAG,PSTEP=   -0.9331638681E-06   -0.9330283709E-06     589.6612551        0.1582316562E-08
J1,K1,R1,R2,RAT= 109 109   -0.5668806519E-02     2.005928045        0.9943311935    
FOB,PFOB,DIAG,PSTEP=    0.5891827322E-04    0.5858620242E-04     13.88092398       -0.4220079988E-05
J1,K1,R1,R2,RAT= 110 110   -0.1635972415E-01     2.017048324        0.9836402758    
FOB,PFOB,DIAG,PSTEP=   -0.4094015942E-04   -0.4028139375E-04     12.63970119        0.3185797594E-05
J1,K1,R1,R2,RAT= 111 111   -0.9898941796E-02     2.011379978        0.9901010582    
FOB,PFOB,DIAG,PSTEP=    0.9335098155E-04    0.9243663379E-04     11.60695036       -0.7958010548E-05
J1,K1,R1,R2,RAT= 112 112    0.2932835986E-02     1.996658017        0.9966580169    
FOB,PFOB,DIAG,PSTEP=   -0.2559175499E-04   -0.2566704763E-04     9.399054743        0.2731370356E-05
J1,K1,R1,R2,RAT= 113 113   -0.6585075344         58.22183222        0.3414924656    
FOB,PFOB,DIAG,PSTEP=   -0.2652256475E-02   -0.2592931720E-02     7.582670960        0.1188100000E-04
J1,K1,R1,R2,RAT= 114 114    0.9988609261        -220.5932639        0.1139073903E-02
FOB,PFOB,DIAG,PSTEP=   -0.2128386896       -0.2109198827         4.802487675       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
     0.00001     -0.00002     -0.00001     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00001     -0.00000      0.00001 
    -0.00000     -0.00002     -0.00001      0.00001     -0.00000     -0.00003 
    -0.00003     -0.00001     -0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00002     -0.00001      0.00000      0.00002     -0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003     -0.00001 
     0.00002      0.00001      0.00002     -0.00003     -0.00008      0.00003 
     0.00003     -0.00003     -0.00002     -0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00009     -0.00003     -0.00265     -0.21284 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4368172452
 Log product of positive Hessian eigenvalues =          520.4496763134
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8024876745
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000009
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000021
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000046
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000110
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000023
 Unscaled step for mode   17=       -0.0000000021
 Unscaled step for mode   18=       -0.0000000068
 Unscaled step for mode   19=       -0.0000000138
 Unscaled step for mode   20=       -0.0000000182
 Unscaled step for mode   21=       -0.0000000102
 Unscaled step for mode   22=        0.0000000012
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000199
 Unscaled step for mode   26=        0.0000000304
 Unscaled step for mode   27=        0.0000000180
 Unscaled step for mode   28=        0.0000000164
 Unscaled step for mode   29=        0.0000000194
 Unscaled step for mode   30=        0.0000000144
 Unscaled step for mode   31=        0.0000000050
 Unscaled step for mode   32=        0.0000000001
 Unscaled step for mode   33=       -0.0000000129
 Unscaled step for mode   34=       -0.0000000059
 Unscaled step for mode   35=       -0.0000000400
 Unscaled step for mode   36=       -0.0000000063
 Unscaled step for mode   37=        0.0000000176
 Unscaled step for mode   38=        0.0000000101
 Unscaled step for mode   39=        0.0000000318
 Unscaled step for mode   40=       -0.0000000131
 Unscaled step for mode   41=       -0.0000000173
 Unscaled step for mode   42=        0.0000000083
 Unscaled step for mode   43=       -0.0000000071
 Unscaled step for mode   44=        0.0000000070
 Unscaled step for mode   45=       -0.0000000159
 Unscaled step for mode   46=       -0.0000000193
 Unscaled step for mode   47=        0.0000000544
 Unscaled step for mode   48=        0.0000000054
 Unscaled step for mode   49=       -0.0000000296
 Unscaled step for mode   50=        0.0000000240
 Unscaled step for mode   51=        0.0000000233
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000276
 Unscaled step for mode   54=       -0.0000000116
 Unscaled step for mode   55=        0.0000000541
 Unscaled step for mode   56=       -0.0000000204
 Unscaled step for mode   57=        0.0000000095
 Unscaled step for mode   58=        0.0000000465
 Unscaled step for mode   59=       -0.0000000304
 Unscaled step for mode   60=        0.0000000513
 Unscaled step for mode   61=       -0.0000000402
 Unscaled step for mode   62=        0.0000001268
 Unscaled step for mode   63=        0.0000000831
 Unscaled step for mode   64=        0.0000000166
 Unscaled step for mode   65=        0.0000000124
 Unscaled step for mode   66=       -0.0000000940
 Unscaled step for mode   67=        0.0000000076
 Unscaled step for mode   68=        0.0000000265
 Unscaled step for mode   69=       -0.0000000044
 Unscaled step for mode   70=       -0.0000000459
 Unscaled step for mode   71=        0.0000000006
 Unscaled step for mode   72=       -0.0000001347
 Unscaled step for mode   73=        0.0000000473
 Unscaled step for mode   74=        0.0000001708
 Unscaled step for mode   75=        0.0000001063
 Unscaled step for mode   76=       -0.0000001448
 Unscaled step for mode   77=        0.0000000032
 Unscaled step for mode   78=        0.0000002792
 Unscaled step for mode   79=        0.0000003047
 Unscaled step for mode   80=        0.0000000721
 Unscaled step for mode   81=        0.0000000940
 Unscaled step for mode   82=       -0.0000001688
 Unscaled step for mode   83=       -0.0000001026
 Unscaled step for mode   84=       -0.0000001258
 Unscaled step for mode   85=       -0.0000002591
 Unscaled step for mode   86=       -0.0000003425
 Unscaled step for mode   87=        0.0000000884
 Unscaled step for mode   88=       -0.0000000072
 Unscaled step for mode   89=       -0.0000003330
 Unscaled step for mode   90=        0.0000001613
 Unscaled step for mode   91=       -0.0000000189
 Unscaled step for mode   92=       -0.0000003927
 Unscaled step for mode   93=        0.0000005494
 Unscaled step for mode   94=        0.0000002457
 Unscaled step for mode   95=        0.0000005617
 Unscaled step for mode   96=        0.0000001623
 Unscaled step for mode   97=       -0.0000003786
 Unscaled step for mode   98=       -0.0000003031
 Unscaled step for mode   99=       -0.0000005619
 Unscaled step for mode  100=        0.0000007712
 Unscaled step for mode  101=        0.0000022817
 Unscaled step for mode  102=       -0.0000010946
 Unscaled step for mode  103=       -0.0000008988
 Unscaled step for mode  104=        0.0000012169
 Unscaled step for mode  105=        0.0000006418
 Unscaled step for mode  106=        0.0000001621
 Unscaled step for mode  107=        0.0000040196
 Unscaled step for mode  108=        0.0000050078
 Unscaled step for mode  109=       -0.0000042445
 Unscaled step for mode  110=        0.0000032390
 Unscaled step for mode  111=       -0.0000080427
 Unscaled step for mode  112=        0.0000027228
 Unscaled step for mode  113=        0.0003497786
 Unscaled step for mode  114=       -0.0442317184
 Largest modulus ratio of non-zero e/values=           149.7067855    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.239609E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.344668E-15    0.100770E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.134034E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.139781E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.482253E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.403852E-15    0.973504E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.159403E-06    0.718965E+03 -0.221711E-09 0.100000E-04    0.975370E+00
   8   -0.617144E-06    0.670448E+03  0.920495E-09 0.100000E-04    0.964160E+00
   9    0.608239E-06    0.623172E+03 -0.976038E-09 0.100000E-04    0.983631E+00
  10    0.129652E-05    0.603209E+03 -0.214937E-08 0.100000E-04    0.999652E+00
  11   -0.933164E-06    0.589661E+03  0.158254E-08 0.100000E-04    0.999855E+00
  12    0.260575E-05    0.563873E+03 -0.462117E-08 0.100000E-04    0.993717E+00
  13    0.199628E-05    0.561242E+03 -0.355690E-08 0.100000E-04    0.993202E+00
  14   -0.527392E-05    0.477981E+03  0.110338E-07 0.100000E-04    0.997352E+00
  15    0.160857E-05    0.470503E+03 -0.341883E-08 0.100000E-04    0.993127E+00
  16    0.105119E-05    0.463487E+03 -0.226801E-08 0.100000E-04    0.991419E+00
  17    0.936562E-06    0.441544E+03 -0.212111E-08 0.100000E-04    0.994192E+00
  18    0.292035E-05    0.431809E+03 -0.676305E-08 0.100000E-04    0.993391E+00
  19    0.581475E-05    0.420289E+03 -0.138351E-07 0.100000E-04    0.992815E+00
  20    0.739206E-05    0.405590E+03 -0.182255E-07 0.100000E-04    0.996793E+00
  21    0.404526E-05    0.398408E+03 -0.101536E-07 0.100000E-04    0.993212E+00
  22   -0.476048E-06    0.388338E+03  0.122586E-08 0.100000E-04    0.972912E+00
  23   -0.197417E-05    0.366943E+03  0.538006E-08 0.100000E-04    0.998750E+00
  24    0.186256E-05    0.364053E+03 -0.511616E-08 0.100000E-04    0.998250E+00
  25   -0.703615E-05    0.352776E+03  0.199451E-07 0.100000E-04    0.992037E+00
  26   -0.104582E-04    0.343919E+03  0.304089E-07 0.100000E-04    0.991156E+00
  27   -0.584287E-05    0.324076E+03  0.180293E-07 0.100000E-04    0.993506E+00
  28   -0.529584E-05    0.323191E+03  0.163861E-07 0.100000E-04    0.996642E+00
  29   -0.619521E-05    0.318765E+03  0.194350E-07 0.100000E-04    0.986359E+00
  30   -0.456963E-05    0.316517E+03  0.144373E-07 0.100000E-04    0.988277E+00
  31   -0.151831E-05    0.305371E+03  0.497203E-08 0.100000E-04    0.978543E+00
  32   -0.332171E-07    0.287314E+03  0.115612E-09 0.100000E-04    0.559168E+00
  33    0.362442E-05    0.279974E+03 -0.129455E-07 0.100000E-04    0.992565E+00
  34    0.160664E-05    0.271595E+03 -0.591559E-08 0.100000E-04    0.995560E+00
  35    0.106333E-04    0.265780E+03 -0.400079E-07 0.100000E-04    0.990979E+00
  36    0.164673E-05    0.262052E+03 -0.628398E-08 0.100000E-04    0.986565E+00
  37   -0.454583E-05    0.257673E+03  0.176419E-07 0.100000E-04    0.990049E+00
  38   -0.255043E-05    0.253384E+03  0.100655E-07 0.100000E-04    0.990735E+00
  39   -0.777129E-05    0.244178E+03  0.318263E-07 0.100000E-04    0.992011E+00
  40    0.313974E-05    0.239566E+03 -0.131059E-07 0.100000E-04    0.980013E+00
  41    0.404602E-05    0.234147E+03 -0.172798E-07 0.100000E-04    0.984510E+00
  42   -0.189830E-05    0.228473E+03  0.830866E-08 0.100000E-04    0.985311E+00
  43    0.158688E-05    0.224862E+03 -0.705711E-08 0.100000E-04    0.983769E+00
  44   -0.148168E-05    0.212806E+03  0.696256E-08 0.100000E-04    0.953493E+00
  45    0.334667E-05    0.211136E+03 -0.158508E-07 0.100000E-04    0.994649E+00
  46    0.405054E-05    0.209908E+03 -0.192967E-07 0.100000E-04    0.980760E+00
  47   -0.110279E-04    0.202890E+03  0.543544E-07 0.100000E-04    0.989410E+00
  48   -0.106374E-05    0.198617E+03  0.535575E-08 0.100000E-04    0.992864E+00
  49    0.578104E-05    0.195323E+03 -0.295973E-07 0.100000E-04    0.987934E+00
  50   -0.460414E-05    0.191645E+03  0.240243E-07 0.100000E-04    0.994684E+00
  51   -0.433911E-05    0.186435E+03  0.232742E-07 0.100000E-04    0.989313E+00
  52    0.451080E-06    0.178308E+03 -0.252978E-08 0.100000E-04    0.996122E+00
  53   -0.471829E-05    0.170689E+03  0.276426E-07 0.100000E-04    0.991156E+00
  54    0.195583E-05    0.168134E+03 -0.116326E-07 0.100000E-04    0.980382E+00
  55   -0.897178E-05    0.165761E+03  0.541249E-07 0.100000E-04    0.991445E+00
  56    0.328354E-05    0.160631E+03 -0.204416E-07 0.100000E-04    0.995147E+00
  57   -0.145834E-05    0.153771E+03  0.948387E-08 0.100000E-04    0.988110E+00
  58   -0.703113E-05    0.151055E+03  0.465467E-07 0.100000E-04    0.992813E+00
  59    0.451788E-05    0.148525E+03 -0.304183E-07 0.100000E-04    0.988292E+00
  60   -0.730967E-05    0.142526E+03  0.512867E-07 0.100000E-04    0.988257E+00
  61    0.550728E-05    0.136903E+03 -0.402277E-07 0.100000E-04    0.992143E+00
  62   -0.170806E-04    0.134666E+03  0.126837E-06 0.100000E-04    0.993052E+00
  63   -0.108824E-04    0.131018E+03  0.830608E-07 0.100000E-04    0.993692E+00
  64   -0.211749E-05    0.127694E+03  0.165825E-07 0.100000E-04    0.984674E+00
  65   -0.155245E-05    0.125691E+03  0.123513E-07 0.100000E-04    0.989269E+00
  66    0.117072E-04    0.124513E+03 -0.940242E-07 0.100000E-04    0.992208E+00
  67   -0.906730E-06    0.119422E+03  0.759267E-08 0.100000E-04    0.984325E+00
  68   -0.312276E-05    0.117964E+03  0.264721E-07 0.100000E-04    0.990859E+00
  69    0.515122E-06    0.116359E+03 -0.442702E-08 0.100000E-04    0.979312E+00
  70    0.517146E-05    0.112698E+03 -0.458877E-07 0.100000E-04    0.983830E+00
  71   -0.700369E-07    0.110253E+03  0.635236E-09 0.100000E-04    0.944187E+00
  72    0.142250E-04    0.105600E+03 -0.134706E-06 0.100000E-04    0.991834E+00
  73   -0.486360E-05    0.102825E+03  0.472996E-07 0.100000E-04    0.983509E+00
  74   -0.171745E-04    0.100545E+03  0.170813E-06 0.100000E-04    0.992930E+00
  75   -0.103380E-04    0.972256E+02  0.106330E-06 0.100000E-04    0.985961E+00
  76    0.137575E-04    0.950357E+02 -0.144761E-06 0.100000E-04    0.990616E+00
  77   -0.290490E-06    0.913643E+02  0.317947E-08 0.100000E-04    0.901829E+00
  78   -0.252839E-04    0.905538E+02  0.279214E-06 0.100000E-04    0.989098E+00
  79   -0.268326E-04    0.880688E+02  0.304678E-06 0.100000E-04    0.994457E+00
  80   -0.608672E-05    0.844590E+02  0.720672E-07 0.100000E-04    0.987952E+00
  81   -0.760051E-05    0.808891E+02  0.939621E-07 0.100000E-04    0.991360E+00
  82    0.133486E-04    0.790667E+02 -0.168828E-06 0.100000E-04    0.994370E+00
  83    0.807915E-05    0.787153E+02 -0.102638E-06 0.100000E-04    0.999173E+00
  84    0.918826E-05    0.730478E+02 -0.125784E-06 0.100000E-04    0.990891E+00
  85    0.184756E-04    0.713089E+02 -0.259093E-06 0.100000E-04    0.993266E+00
  86    0.237939E-04    0.694679E+02 -0.342517E-06 0.100000E-04    0.992493E+00
  87   -0.597830E-05    0.676461E+02  0.883762E-07 0.100000E-04    0.992360E+00
  88    0.457245E-06    0.635520E+02 -0.719482E-08 0.100000E-04    0.980418E+00
  89    0.207414E-04    0.622839E+02 -0.333014E-06 0.100000E-04    0.992480E+00
  90   -0.962414E-05    0.596606E+02  0.161315E-06 0.100000E-04    0.993732E+00
  91    0.110605E-05    0.585491E+02 -0.188910E-07 0.100000E-04    0.985300E+00
  92    0.219246E-04    0.558247E+02 -0.392740E-06 0.100000E-04    0.988190E+00
  93   -0.294794E-04    0.536555E+02  0.549419E-06 0.100000E-04    0.994927E+00
  94   -0.128552E-04    0.523180E+02  0.245712E-06 0.100000E-04    0.991169E+00
  95   -0.282556E-04    0.502996E+02  0.561746E-06 0.100000E-04    0.995378E+00
  96   -0.779490E-05    0.480235E+02  0.162314E-06 0.100000E-04    0.992696E+00
  97    0.165423E-04    0.436877E+02 -0.378648E-06 0.100000E-04    0.992795E+00
  98    0.120608E-04    0.397902E+02 -0.303109E-06 0.100000E-04    0.992467E+00
  99    0.211017E-04    0.375556E+02 -0.561878E-06 0.100000E-04    0.988113E+00
 100   -0.278954E-04    0.361711E+02  0.771206E-06 0.100000E-04    0.995355E+00
 101   -0.791869E-04    0.347056E+02  0.228167E-05 0.100000E-04    0.992550E+00
 102    0.324270E-04    0.296244E+02 -0.109460E-05 0.100000E-04    0.995078E+00
 103    0.260621E-04    0.289952E+02 -0.898841E-06 0.100000E-04    0.993374E+00
 104   -0.349381E-04    0.287112E+02  0.121688E-05 0.100000E-04    0.996295E+00
 105   -0.150717E-04    0.234831E+02  0.641813E-06 0.100000E-04    0.984710E+00
 106   -0.354921E-05    0.218917E+02  0.162126E-06 0.100000E-04    0.954058E+00
 107   -0.787324E-04    0.195874E+02  0.401955E-05 0.100000E-04    0.993100E+00
 108   -0.831459E-04    0.166032E+02  0.500781E-05 0.100000E-04    0.997895E+00
 109    0.589183E-04    0.138809E+02 -0.424455E-05 0.100000E-04    0.994331E+00
 110   -0.409402E-04    0.126397E+02  0.323901E-05 0.100000E-04    0.983640E+00
 111    0.933510E-04    0.116070E+02 -0.804268E-05 0.100000E-04    0.990101E+00
 112   -0.255918E-04    0.939905E+01  0.272280E-05 0.100000E-04    0.996658E+00
 113   -0.265226E-02    0.758267E+01  0.107036E-04 0.107036E-04    0.341492E+00
 114   -0.212839E+00    0.480249E+01 -0.400000E-03 0.400000E-03    0.113907E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4423171840E-01

 Beginning of optimization cycle   92.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3982256174
 potential> RMS force:                                               0.0201155378   |gradient|=.2147751709    
 Eigenvalues of the Hessian matrix:
   719.02433    670.46658    623.19545    603.22673    589.66279    563.89483 
   561.28062    477.99648    470.48121    463.47544    441.54113    431.79818 
   420.29668    405.60040    398.40442    388.34301    366.94351    364.04265 
   352.76552    343.87905    324.08113    323.16537    318.75672    316.53498 
   305.36902    287.31571    279.97073    271.58812    265.77933    262.05923 
   257.67438    253.38515    244.16362    239.55549    234.15767    228.47571 
   224.84399    212.80172    211.13852    209.90072    202.89183    198.61183 
   195.32641    191.64430    186.42996    178.29339    170.69031    168.13284 
   165.75928    160.62771    153.76508    151.05472    148.53218    142.53027 
   136.90335    134.67023    131.01706    127.69365    125.69460    124.52020 
   119.42190    117.96324    116.36257    112.69108    110.24595    105.59608 
   102.82528    100.54084     97.22505     95.03657     91.35787     90.55939 
    88.08020     84.46004     80.88869     79.06968     78.71388     73.04492 
    71.31199     69.45921     67.64970     63.54853     62.27891     59.66057 
    58.55219     55.82452     53.65384     52.31651     50.29990     48.02282 
    43.68311     39.79316     37.54782     36.17290     34.71230     29.61496 
    28.99402     28.71165     23.47768     21.89254     19.58682     16.60653 
    13.87915     12.63538     11.59830      9.40097      7.58357      4.80338 
overlap for current and previous eigenvector    109 is         0.9999956310
overlap for current and previous eigenvector    110 is         0.9999905617
overlap for current and previous eigenvector    111 is         0.9999875506
overlap for current and previous eigenvector    112 is         0.9999995991
overlap for current and previous eigenvector    113 is         0.9999992847
overlap for current and previous eigenvector    114 is         0.9999992637
J1,K1,R1,R2,RAT=   7   7    0.4985351121E-01     1.949981451        0.9499814513    
FOB,PFOB,DIAG,PSTEP=    0.1514552504E-06    0.1594026901E-06     719.0243252       -0.2217113375E-09
J1,K1,R1,R2,RAT=   8   8   -0.2589326138E-02     2.002534713        0.9974106739    
FOB,PFOB,DIAG,PSTEP=   -0.6187424248E-06   -0.6171443931E-06     670.4665758        0.9204951715E-09
J1,K1,R1,R2,RAT=   9   9    0.6514458469E-02     1.993410526        0.9934105265    
FOB,PFOB,DIAG,PSTEP=    0.6042769960E-06    0.6082394955E-06     623.1954537       -0.9760377846E-09
J1,K1,R1,R2,RAT=  10  10   -0.7324066109E-02     2.007266020        0.9926759339    
FOB,PFOB,DIAG,PSTEP=    0.1306018608E-05    0.1296522516E-05     603.2267337       -0.2149374479E-08
J1,K1,R1,R2,RAT=  11  11   -0.3489575970E-02     2.003484369        0.9965104240    
FOB,PFOB,DIAG,PSTEP=   -0.9364202228E-06   -0.9331638681E-06     589.6627901        0.1582542282E-08
J1,K1,R1,R2,RAT= 109 109   -0.4984326793E-02     2.005239785        0.9950156732    
FOB,PFOB,DIAG,PSTEP=    0.5921190364E-04    0.5891827322E-04     13.87915121       -0.4244549808E-05
J1,K1,R1,R2,RAT= 110 110   -0.2524256629E-01     2.025926602        0.9747574337    
FOB,PFOB,DIAG,PSTEP=   -0.4197324078E-04   -0.4094015942E-04     12.63537967        0.3239013233E-05
J1,K1,R1,R2,RAT= 111 111   -0.6298357434E-02     2.007789930        0.9937016426    
FOB,PFOB,DIAG,PSTEP=    0.9393850124E-04    0.9335098155E-04     11.59830051       -0.8042679483E-05
J1,K1,R1,R2,RAT= 112 112    0.1211534625E-01     1.987477206        0.9874772064    
FOB,PFOB,DIAG,PSTEP=   -0.2528163883E-04   -0.2559175499E-04     9.400969944        0.2722800929E-05
J1,K1,R1,R2,RAT= 113 113   -0.8536817163         66.20310625        0.1463182837    
FOB,PFOB,DIAG,PSTEP=   -0.2721551128E-02   -0.2652256475E-02     7.583570516        0.1070360360E-04
J1,K1,R1,R2,RAT= 114 114    0.9988410922        -222.5496651        0.1158907825E-02
FOB,PFOB,DIAG,PSTEP=   -0.2147578161       -0.2128386896         4.803382938       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
     0.00001     -0.00002     -0.00001     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00001     -0.00000      0.00001 
    -0.00000     -0.00002     -0.00001      0.00001      0.00000     -0.00003 
     0.00003     -0.00001      0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00002     -0.00001      0.00000      0.00002     -0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003     -0.00001 
     0.00002      0.00001      0.00002     -0.00003     -0.00008      0.00003 
     0.00003     -0.00004     -0.00002     -0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00009     -0.00003     -0.00272     -0.21476 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4368681525
 Log product of positive Hessian eigenvalues =          520.4482502196
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8033829385
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000009
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000046
 Unscaled step for mode   13=       -0.0000000036
 Unscaled step for mode   14=        0.0000000111
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000023
 Unscaled step for mode   17=       -0.0000000022
 Unscaled step for mode   18=       -0.0000000068
 Unscaled step for mode   19=       -0.0000000139
 Unscaled step for mode   20=       -0.0000000183
 Unscaled step for mode   21=       -0.0000000102
 Unscaled step for mode   22=        0.0000000012
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000201
 Unscaled step for mode   26=        0.0000000307
 Unscaled step for mode   27=        0.0000000181
 Unscaled step for mode   28=        0.0000000164
 Unscaled step for mode   29=        0.0000000196
 Unscaled step for mode   30=        0.0000000146
 Unscaled step for mode   31=        0.0000000050
 Unscaled step for mode   32=        0.0000000002
 Unscaled step for mode   33=       -0.0000000131
 Unscaled step for mode   34=       -0.0000000060
 Unscaled step for mode   35=       -0.0000000403
 Unscaled step for mode   36=       -0.0000000064
 Unscaled step for mode   37=        0.0000000178
 Unscaled step for mode   38=        0.0000000101
 Unscaled step for mode   39=        0.0000000321
 Unscaled step for mode   40=       -0.0000000133
 Unscaled step for mode   41=       -0.0000000176
 Unscaled step for mode   42=        0.0000000084
 Unscaled step for mode   43=       -0.0000000071
 Unscaled step for mode   44=        0.0000000071
 Unscaled step for mode   45=       -0.0000000159
 Unscaled step for mode   46=       -0.0000000195
 Unscaled step for mode   47=        0.0000000548
 Unscaled step for mode   48=        0.0000000053
 Unscaled step for mode   49=       -0.0000000299
 Unscaled step for mode   50=        0.0000000243
 Unscaled step for mode   51=        0.0000000234
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000278
 Unscaled step for mode   54=       -0.0000000118
 Unscaled step for mode   55=        0.0000000545
 Unscaled step for mode   56=       -0.0000000207
 Unscaled step for mode   57=        0.0000000095
 Unscaled step for mode   58=        0.0000000470
 Unscaled step for mode   59=       -0.0000000306
 Unscaled step for mode   60=        0.0000000516
 Unscaled step for mode   61=       -0.0000000407
 Unscaled step for mode   62=        0.0000001277
 Unscaled step for mode   63=        0.0000000838
 Unscaled step for mode   64=        0.0000000168
 Unscaled step for mode   65=        0.0000000124
 Unscaled step for mode   66=       -0.0000000949
 Unscaled step for mode   67=        0.0000000076
 Unscaled step for mode   68=        0.0000000267
 Unscaled step for mode   69=       -0.0000000043
 Unscaled step for mode   70=       -0.0000000464
 Unscaled step for mode   71=        0.0000000005
 Unscaled step for mode   72=       -0.0000001362
 Unscaled step for mode   73=        0.0000000480
 Unscaled step for mode   74=        0.0000001723
 Unscaled step for mode   75=        0.0000001075
 Unscaled step for mode   76=       -0.0000001460
 Unscaled step for mode   77=       -0.0000000031
 Unscaled step for mode   78=        0.0000002815
 Unscaled step for mode   79=       -0.0000003064
 Unscaled step for mode   80=        0.0000000728
 Unscaled step for mode   81=       -0.0000000949
 Unscaled step for mode   82=       -0.0000001700
 Unscaled step for mode   83=       -0.0000001022
 Unscaled step for mode   84=       -0.0000001274
 Unscaled step for mode   85=       -0.0000002614
 Unscaled step for mode   86=       -0.0000003451
 Unscaled step for mode   87=        0.0000000882
 Unscaled step for mode   88=       -0.0000000064
 Unscaled step for mode   89=       -0.0000003360
 Unscaled step for mode   90=        0.0000001633
 Unscaled step for mode   91=       -0.0000000187
 Unscaled step for mode   92=       -0.0000003965
 Unscaled step for mode   93=        0.0000005532
 Unscaled step for mode   94=        0.0000002490
 Unscaled step for mode   95=        0.0000005650
 Unscaled step for mode   96=        0.0000001628
 Unscaled step for mode   97=       -0.0000003823
 Unscaled step for mode   98=       -0.0000003053
 Unscaled step for mode   99=       -0.0000005721
 Unscaled step for mode  100=        0.0000007763
 Unscaled step for mode  101=        0.0000022979
 Unscaled step for mode  102=       -0.0000011063
 Unscaled step for mode  103=       -0.0000009061
 Unscaled step for mode  104=        0.0000012261
 Unscaled step for mode  105=        0.0000006493
 Unscaled step for mode  106=        0.0000001687
 Unscaled step for mode  107=        0.0000040581
 Unscaled step for mode  108=        0.0000050115
 Unscaled step for mode  109=       -0.0000042662
 Unscaled step for mode  110=        0.0000033219
 Unscaled step for mode  111=       -0.0000080993
 Unscaled step for mode  112=        0.0000026893
 Unscaled step for mode  113=        0.0003588746
 Unscaled step for mode  114=       -0.0446206840
 Largest modulus ratio of non-zero e/values=           149.6912352    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.116660E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.600323E-15    0.100770E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.674409E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.590363E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.414165E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.573760E-15    0.973506E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.151455E-06    0.719024E+03 -0.210640E-09 0.100000E-04    0.949981E+00
   8   -0.618742E-06    0.670467E+03  0.922853E-09 0.100000E-04    0.997411E+00
   9    0.604277E-06    0.623195E+03 -0.969643E-09 0.100000E-04    0.993411E+00
  10    0.130602E-05    0.603227E+03 -0.216505E-08 0.100000E-04    0.992676E+00
  11   -0.936420E-06    0.589663E+03  0.158806E-08 0.100000E-04    0.996510E+00
  12    0.261044E-05    0.563895E+03 -0.462931E-08 0.100000E-04    0.998200E+00
  13    0.199777E-05    0.561281E+03 -0.355931E-08 0.100000E-04    0.999253E+00
  14   -0.529154E-05    0.477996E+03  0.110702E-07 0.100000E-04    0.996660E+00
  15    0.160362E-05    0.470481E+03 -0.340846E-08 0.100000E-04    0.996922E+00
  16    0.107086E-05    0.463475E+03 -0.231049E-08 0.100000E-04    0.981293E+00
  17    0.958541E-06    0.441541E+03 -0.217090E-08 0.100000E-04    0.976532E+00
  18    0.293137E-05    0.431798E+03 -0.678876E-08 0.100000E-04    0.996223E+00
  19    0.586021E-05    0.420297E+03 -0.139430E-07 0.100000E-04    0.992182E+00
  20    0.742656E-05    0.405600E+03 -0.183100E-07 0.100000E-04    0.995333E+00
  21    0.407823E-05    0.398404E+03 -0.102364E-07 0.100000E-04    0.991850E+00
  22   -0.458824E-06    0.388343E+03  0.118149E-08 0.100000E-04    0.963793E+00
  23   -0.197364E-05    0.366944E+03  0.537859E-08 0.100000E-04    0.999725E+00
  24    0.186521E-05    0.364043E+03 -0.512359E-08 0.100000E-04    0.998577E+00
  25   -0.708754E-05    0.352766E+03  0.200914E-07 0.100000E-04    0.992696E+00
  26   -0.105509E-04    0.343879E+03  0.306821E-07 0.100000E-04    0.991134E+00
  27   -0.587150E-05    0.324081E+03  0.181174E-07 0.100000E-04    0.995099E+00
  28   -0.530487E-05    0.323165E+03  0.164153E-07 0.100000E-04    0.998296E+00
  29   -0.625560E-05    0.318757E+03  0.196250E-07 0.100000E-04    0.990251E+00
  30   -0.462833E-05    0.316535E+03  0.146219E-07 0.100000E-04    0.987155E+00
  31   -0.153470E-05    0.305369E+03  0.502573E-08 0.100000E-04    0.989205E+00
  32   -0.498012E-07    0.287316E+03  0.173333E-09 0.100000E-04    0.500738E+00
  33    0.365702E-05    0.279971E+03 -0.130622E-07 0.100000E-04    0.991004E+00
  34    0.163156E-05    0.271588E+03 -0.600746E-08 0.100000E-04    0.984495E+00
  35    0.107094E-04    0.265779E+03 -0.402943E-07 0.100000E-04    0.992844E+00
  36    0.167793E-05    0.262059E+03 -0.640285E-08 0.100000E-04    0.981055E+00
  37   -0.458477E-05    0.257674E+03  0.177929E-07 0.100000E-04    0.991435E+00
  38   -0.255790E-05    0.253385E+03  0.100949E-07 0.100000E-04    0.997071E+00
  39   -0.784125E-05    0.244164E+03  0.321147E-07 0.100000E-04    0.990997E+00
  40    0.319010E-05    0.239555E+03 -0.133168E-07 0.100000E-04    0.983958E+00
  41    0.411026E-05    0.234158E+03 -0.175534E-07 0.100000E-04    0.984124E+00
  42   -0.192209E-05    0.228476E+03  0.841268E-08 0.100000E-04    0.987469E+00
  43    0.159817E-05    0.224844E+03 -0.710789E-08 0.100000E-04    0.992887E+00
  44   -0.150582E-05    0.212802E+03  0.707619E-08 0.100000E-04    0.983703E+00
  45    0.335521E-05    0.211139E+03 -0.158910E-07 0.100000E-04    0.997450E+00
  46    0.410019E-05    0.209901E+03 -0.195339E-07 0.100000E-04    0.987743E+00
  47   -0.111162E-04    0.202892E+03  0.547886E-07 0.100000E-04    0.992000E+00
  48   -0.105419E-05    0.198612E+03  0.530777E-08 0.100000E-04    0.991016E+00
  49    0.583689E-05    0.195326E+03 -0.298828E-07 0.100000E-04    0.990339E+00
  50   -0.465199E-05    0.191644E+03  0.242741E-07 0.100000E-04    0.989607E+00
  51   -0.436622E-05    0.186430E+03  0.234201E-07 0.100000E-04    0.993753E+00
  52    0.449654E-06    0.178293E+03 -0.252199E-08 0.100000E-04    0.996837E+00
  53   -0.474233E-05    0.170690E+03  0.277832E-07 0.100000E-04    0.994906E+00
  54    0.198190E-05    0.168133E+03 -0.117877E-07 0.100000E-04    0.986673E+00
  55   -0.903459E-05    0.165759E+03  0.545043E-07 0.100000E-04    0.992999E+00
  56    0.331716E-05    0.160628E+03 -0.206512E-07 0.100000E-04    0.989760E+00
  57   -0.146228E-05    0.153765E+03  0.950984E-08 0.100000E-04    0.997299E+00
  58   -0.709242E-05    0.151055E+03  0.469527E-07 0.100000E-04    0.991283E+00
  59    0.453851E-05    0.148532E+03 -0.305558E-07 0.100000E-04    0.995434E+00
  60   -0.735064E-05    0.142530E+03  0.515725E-07 0.100000E-04    0.994396E+00
  61    0.556569E-05    0.136903E+03 -0.406541E-07 0.100000E-04    0.989395E+00
  62   -0.172027E-04    0.134670E+03  0.127739E-06 0.100000E-04    0.992850E+00
  63   -0.109806E-04    0.131017E+03  0.838106E-07 0.100000E-04    0.990978E+00
  64   -0.214387E-05    0.127694E+03  0.167892E-07 0.100000E-04    0.987541E+00
  65   -0.155445E-05    0.125695E+03  0.123669E-07 0.100000E-04    0.998712E+00
  66    0.118113E-04    0.124520E+03 -0.948542E-07 0.100000E-04    0.991112E+00
  67   -0.904316E-06    0.119422E+03  0.757244E-08 0.100000E-04    0.997336E+00
  68   -0.315348E-05    0.117963E+03  0.267328E-07 0.100000E-04    0.990161E+00
  69    0.495911E-06    0.116363E+03 -0.426177E-08 0.100000E-04    0.962638E+00
  70    0.523009E-05    0.112691E+03 -0.464109E-07 0.100000E-04    0.988661E+00
  71   -0.569369E-07    0.110246E+03  0.516454E-09 0.100000E-04    0.812944E+00
  72    0.143833E-04    0.105596E+03 -0.136210E-06 0.100000E-04    0.988870E+00
  73   -0.493517E-05    0.102825E+03  0.479957E-07 0.100000E-04    0.985283E+00
  74   -0.173214E-04    0.100541E+03  0.172282E-06 0.100000E-04    0.991445E+00
  75   -0.104499E-04    0.972250E+02  0.107482E-06 0.100000E-04    0.989174E+00
  76    0.138798E-04    0.950366E+02 -0.146047E-06 0.100000E-04    0.991111E+00
  77    0.279376E-06    0.913579E+02 -0.305804E-08 0.100000E-04    0.961735E+00
  78   -0.254912E-04    0.905594E+02  0.281486E-06 0.100000E-04    0.991803E+00
  79    0.269893E-04    0.880802E+02 -0.306417E-06 0.100000E-04    0.994161E+00
  80   -0.615188E-05    0.844600E+02  0.728377E-07 0.100000E-04    0.989295E+00
  81    0.767637E-05    0.808887E+02 -0.949004E-07 0.100000E-04    0.990019E+00
  82    0.134439E-04    0.790697E+02 -0.170026E-06 0.100000E-04    0.992867E+00
  83    0.804619E-05    0.787139E+02 -0.102221E-06 0.100000E-04    0.995921E+00
  84    0.930568E-05    0.730449E+02 -0.127397E-06 0.100000E-04    0.987220E+00
  85    0.186404E-04    0.713120E+02 -0.261393E-06 0.100000E-04    0.991081E+00
  86    0.239717E-04    0.694592E+02 -0.345119E-06 0.100000E-04    0.992528E+00
  87   -0.596774E-05    0.676497E+02  0.882153E-07 0.100000E-04    0.998127E+00
  88    0.405211E-06    0.635485E+02 -0.637640E-08 0.100000E-04    0.886194E+00
  89    0.209249E-04    0.622789E+02 -0.335987E-06 0.100000E-04    0.991153E+00
  90   -0.974445E-05    0.596606E+02  0.163331E-06 0.100000E-04    0.987499E+00
  91    0.109452E-05    0.585522E+02 -0.186931E-07 0.100000E-04    0.989472E+00
  92    0.221346E-04    0.558245E+02 -0.396503E-06 0.100000E-04    0.990421E+00
  93   -0.296809E-04    0.536538E+02  0.553192E-06 0.100000E-04    0.993163E+00
  94   -0.130261E-04    0.523165E+02  0.248987E-06 0.100000E-04    0.986698E+00
  95   -0.284191E-04    0.502999E+02  0.564993E-06 0.100000E-04    0.994212E+00
  96   -0.782020E-05    0.480228E+02  0.162843E-06 0.100000E-04    0.996754E+00
  97    0.167005E-04    0.436831E+02 -0.382311E-06 0.100000E-04    0.990431E+00
  98    0.121484E-04    0.397932E+02 -0.305290E-06 0.100000E-04    0.992732E+00
  99    0.214821E-04    0.375478E+02 -0.572126E-06 0.100000E-04    0.981970E+00
 100   -0.280815E-04    0.361729E+02  0.776314E-06 0.100000E-04    0.993327E+00
 101   -0.797667E-04    0.347123E+02  0.229794E-05 0.100000E-04    0.992680E+00
 102    0.327625E-04    0.296150E+02 -0.110628E-05 0.100000E-04    0.989648E+00
 103    0.262707E-04    0.289940E+02 -0.906075E-06 0.100000E-04    0.991995E+00
 104   -0.352022E-04    0.287116E+02  0.122606E-05 0.100000E-04    0.992440E+00
 105   -0.152448E-04    0.234777E+02  0.649330E-06 0.100000E-04    0.988516E+00
 106   -0.369337E-05    0.218925E+02  0.168705E-06 0.100000E-04    0.959383E+00
 107   -0.794861E-04    0.195868E+02  0.405814E-05 0.100000E-04    0.990426E+00
 108   -0.832232E-04    0.166065E+02  0.501148E-05 0.100000E-04    0.999070E+00
 109    0.592119E-04    0.138792E+02 -0.426625E-05 0.100000E-04    0.995016E+00
 110   -0.419732E-04    0.126354E+02  0.332188E-05 0.100000E-04    0.974757E+00
 111    0.939385E-04    0.115983E+02 -0.809933E-05 0.100000E-04    0.993702E+00
 112   -0.252816E-04    0.940097E+01  0.268926E-05 0.100000E-04    0.987477E+00
 113   -0.272155E-02    0.758357E+01  0.116669E-04 0.116669E-04    0.146318E+00
 114   -0.214758E+00    0.480338E+01 -0.400000E-03 0.400000E-03    0.115891E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4462068398E-01

 Beginning of optimization cycle   93.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3981393624
 potential> RMS force:                                               0.0202953701   |gradient|=.2166952542    
 Eigenvalues of the Hessian matrix:
   719.08362    670.48477    623.21868    603.24421    589.66414    563.91666 
   561.31895    478.01191    470.45892    463.46365    441.53801    431.78748 
   420.30447    405.61120    398.40087    388.34789    366.94450    364.03215 
   352.75552    343.83877    324.08650    323.14002    318.74819    316.55329 
   305.36731    287.31738    279.96718    271.58112    265.77833    262.06654 
   257.67616    253.38621    244.14905    239.54455    234.16792    228.47851 
   224.82553    212.79709    211.14093    209.89313    202.89396    198.60690 
   195.32952    191.64325    186.42521    178.27854    170.69155    168.13185 
   165.75799    160.62476    153.75947    151.05412    148.53909    142.53468 
   136.90395    134.67467    131.01632    127.69300    125.69812    124.52769 
   119.42200    117.96244    116.36652    112.68408    110.23846    105.59215 
   102.82522    100.53652     97.22447     95.03744     91.35146     90.56502 
    88.09166     84.46112     80.88834     79.07273     78.71239     73.04203 
    71.31506     69.45050     67.65324     63.54513     62.27379     59.66049 
    58.55530     55.82437     53.65215     52.31498     50.30020     48.02212 
    43.67857     39.79612     37.53999     36.17460     34.71897     29.60556 
    28.99279     28.71210     23.47234     21.89340     19.58631     16.60977 
    13.87739     12.63110     11.58956      9.40289      7.58444      4.80424 
overlap for current and previous eigenvector    109 is         0.9999956841
overlap for current and previous eigenvector    110 is         0.9999906421
overlap for current and previous eigenvector    111 is         0.9999876065
overlap for current and previous eigenvector    112 is         0.9999995967
overlap for current and previous eigenvector    113 is         0.9999992853
overlap for current and previous eigenvector    114 is         0.9999992684
J1,K1,R1,R2,RAT=   7   7    0.2817075435E-01     1.971664338        0.9716643384    
FOB,PFOB,DIAG,PSTEP=    0.1471882900E-06    0.1514552504E-06     719.0836163       -0.2106399535E-09
J1,K1,R1,R2,RAT=   8   8   -0.3452869787E-01     2.034474431        0.9654713021    
FOB,PFOB,DIAG,PSTEP=   -0.6401073748E-06   -0.6187424248E-06     670.4847684        0.9228534981E-09
J1,K1,R1,R2,RAT=   9   9   -0.1599075988E-01     2.015916207        0.9840092401    
FOB,PFOB,DIAG,PSTEP=    0.6139402045E-06    0.6042769960E-06     623.2186849       -0.9696428182E-09
J1,K1,R1,R2,RAT=  10  10   -0.2071966917E-03     2.000149250        0.9997928033    
FOB,PFOB,DIAG,PSTEP=    0.1306289219E-05    0.1306018608E-05     603.2442116       -0.2165054258E-08
J1,K1,R1,R2,RAT=  11  11   -0.3730068537E-03     2.000368423        0.9996269931    
FOB,PFOB,DIAG,PSTEP=   -0.9367695148E-06   -0.9364202228E-06     589.6641417        0.1588060564E-08
J1,K1,R1,R2,RAT= 109 109   -0.5290743160E-02     2.005544335        0.9947092568    
FOB,PFOB,DIAG,PSTEP=    0.5952513890E-04    0.5921190364E-04     13.87739162       -0.4266248183E-05
J1,K1,R1,R2,RAT= 110 110   -0.1651999629E-01     2.017197922        0.9834800037    
FOB,PFOB,DIAG,PSTEP=   -0.4266640361E-04   -0.4197324078E-04     12.63109820        0.3321882039E-05
J1,K1,R1,R2,RAT= 111 111   -0.9342262733E-02     2.010850257        0.9906577373    
FOB,PFOB,DIAG,PSTEP=    0.9481543819E-04    0.9393850124E-04     11.58956201       -0.8099333274E-05
J1,K1,R1,R2,RAT= 112 112    0.3402310761E-02     1.996189802        0.9961898022    
FOB,PFOB,DIAG,PSTEP=   -0.2519560530E-04   -0.2528163883E-04     9.402887602        0.2689258554E-05
J1,K1,R1,R2,RAT= 113 113   -0.7059639273         62.21891587        0.2940360727    
FOB,PFOB,DIAG,PSTEP=   -0.2784019824E-02   -0.2721551128E-02     7.584438068        0.1166692793E-04
J1,K1,R1,R2,RAT= 114 114    0.9988274308        -224.5075382        0.1172569237E-02
FOB,PFOB,DIAG,PSTEP=   -0.2166772581       -0.2147578161         4.804238175       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
     0.00001     -0.00002     -0.00001     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00001     -0.00000      0.00001 
    -0.00001     -0.00002     -0.00001      0.00001      0.00000     -0.00003 
     0.00003     -0.00001     -0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00002     -0.00001      0.00000     -0.00002      0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003     -0.00001 
     0.00002      0.00001      0.00002     -0.00003     -0.00008      0.00003 
     0.00003     -0.00004     -0.00002     -0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00009     -0.00003     -0.00278     -0.21668 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4369207367
 Log product of positive Hessian eigenvalues =          520.4468019572
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8042381753
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000010
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000047
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000111
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000023
 Unscaled step for mode   17=       -0.0000000022
 Unscaled step for mode   18=       -0.0000000068
 Unscaled step for mode   19=       -0.0000000140
 Unscaled step for mode   20=       -0.0000000184
 Unscaled step for mode   21=       -0.0000000103
 Unscaled step for mode   22=        0.0000000011
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000202
 Unscaled step for mode   26=        0.0000000310
 Unscaled step for mode   27=        0.0000000182
 Unscaled step for mode   28=        0.0000000165
 Unscaled step for mode   29=        0.0000000199
 Unscaled step for mode   30=        0.0000000148
 Unscaled step for mode   31=        0.0000000051
 Unscaled step for mode   32=        0.0000000002
 Unscaled step for mode   33=       -0.0000000132
 Unscaled step for mode   34=       -0.0000000060
 Unscaled step for mode   35=       -0.0000000406
 Unscaled step for mode   36=       -0.0000000065
 Unscaled step for mode   37=        0.0000000180
 Unscaled step for mode   38=        0.0000000102
 Unscaled step for mode   39=        0.0000000324
 Unscaled step for mode   40=       -0.0000000136
 Unscaled step for mode   41=       -0.0000000178
 Unscaled step for mode   42=        0.0000000085
 Unscaled step for mode   43=       -0.0000000072
 Unscaled step for mode   44=        0.0000000074
 Unscaled step for mode   45=       -0.0000000160
 Unscaled step for mode   46=       -0.0000000199
 Unscaled step for mode   47=        0.0000000554
 Unscaled step for mode   48=        0.0000000053
 Unscaled step for mode   49=       -0.0000000302
 Unscaled step for mode   50=        0.0000000244
 Unscaled step for mode   51=        0.0000000237
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000280
 Unscaled step for mode   54=       -0.0000000120
 Unscaled step for mode   55=        0.0000000550
 Unscaled step for mode   56=       -0.0000000207
 Unscaled step for mode   57=        0.0000000096
 Unscaled step for mode   58=        0.0000000473
 Unscaled step for mode   59=       -0.0000000309
 Unscaled step for mode   60=        0.0000000522
 Unscaled step for mode   61=       -0.0000000410
 Unscaled step for mode   62=        0.0000001286
 Unscaled step for mode   63=        0.0000000843
 Unscaled step for mode   64=        0.0000000171
 Unscaled step for mode   65=        0.0000000122
 Unscaled step for mode   66=       -0.0000000956
 Unscaled step for mode   67=        0.0000000077
 Unscaled step for mode   68=        0.0000000270
 Unscaled step for mode   69=       -0.0000000042
 Unscaled step for mode   70=       -0.0000000471
 Unscaled step for mode   71=        0.0000000005
 Unscaled step for mode   72=       -0.0000001373
 Unscaled step for mode   73=        0.0000000488
 Unscaled step for mode   74=        0.0000001735
 Unscaled step for mode   75=        0.0000001090
 Unscaled step for mode   76=       -0.0000001474
 Unscaled step for mode   77=       -0.0000000033
 Unscaled step for mode   78=        0.0000002845
 Unscaled step for mode   79=       -0.0000003080
 Unscaled step for mode   80=        0.0000000737
 Unscaled step for mode   81=        0.0000000957
 Unscaled step for mode   82=       -0.0000001709
 Unscaled step for mode   83=       -0.0000001023
 Unscaled step for mode   84=       -0.0000001286
 Unscaled step for mode   85=       -0.0000002631
 Unscaled step for mode   86=       -0.0000003477
 Unscaled step for mode   87=        0.0000000875
 Unscaled step for mode   88=       -0.0000000062
 Unscaled step for mode   89=        0.0000003385
 Unscaled step for mode   90=       -0.0000001643
 Unscaled step for mode   91=       -0.0000000184
 Unscaled step for mode   92=       -0.0000004011
 Unscaled step for mode   93=        0.0000005559
 Unscaled step for mode   94=        0.0000002511
 Unscaled step for mode   95=        0.0000005675
 Unscaled step for mode   96=        0.0000001640
 Unscaled step for mode   97=       -0.0000003851
 Unscaled step for mode   98=       -0.0000003075
 Unscaled step for mode   99=       -0.0000005791
 Unscaled step for mode  100=        0.0000007797
 Unscaled step for mode  101=        0.0000023143
 Unscaled step for mode  102=       -0.0000011119
 Unscaled step for mode  103=       -0.0000009120
 Unscaled step for mode  104=        0.0000012304
 Unscaled step for mode  105=        0.0000006594
 Unscaled step for mode  106=        0.0000001607
 Unscaled step for mode  107=        0.0000040861
 Unscaled step for mode  108=        0.0000050195
 Unscaled step for mode  109=       -0.0000042894
 Unscaled step for mode  110=        0.0000033779
 Unscaled step for mode  111=       -0.0000081811
 Unscaled step for mode  112=        0.0000026796
 Unscaled step for mode  113=        0.0003670700
 Unscaled step for mode  114=       -0.0450099028
 Largest modulus ratio of non-zero e/values=           149.6769290    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.286229E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.127936E-15    0.100769E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.253703E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.773036E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.348350E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.902964E-15    0.973507E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.147188E-06    0.719084E+03 -0.204689E-09 0.100000E-04    0.971664E+00
   8   -0.640107E-06    0.670485E+03  0.954693E-09 0.100000E-04    0.965471E+00
   9    0.613940E-06    0.623219E+03 -0.985112E-09 0.100000E-04    0.984009E+00
  10    0.130629E-05    0.603244E+03 -0.216544E-08 0.100000E-04    0.999793E+00
  11   -0.936770E-06    0.589664E+03  0.158865E-08 0.100000E-04    0.999627E+00
  12    0.262679E-05    0.563917E+03 -0.465812E-08 0.100000E-04    0.993738E+00
  13    0.198381E-05    0.561319E+03 -0.353419E-08 0.100000E-04    0.992874E+00
  14   -0.530468E-05    0.478012E+03  0.110974E-07 0.100000E-04    0.997517E+00
  15    0.161449E-05    0.470459E+03 -0.343174E-08 0.100000E-04    0.993218E+00
  16    0.107977E-05    0.463464E+03 -0.232979E-08 0.100000E-04    0.991674E+00
  17    0.964055E-06    0.441538E+03 -0.218340E-08 0.100000E-04    0.994248E+00
  18    0.295089E-05    0.431787E+03 -0.683413E-08 0.100000E-04    0.993342E+00
  19    0.590180E-05    0.420304E+03 -0.140417E-07 0.100000E-04    0.992903E+00
  20    0.745001E-05    0.405611E+03 -0.183674E-07 0.100000E-04    0.996842E+00
  21    0.410572E-05    0.398401E+03 -0.103055E-07 0.100000E-04    0.993261E+00
  22   -0.445555E-06    0.388348E+03  0.114731E-08 0.100000E-04    0.971057E+00
  23   -0.197108E-05    0.366944E+03  0.537161E-08 0.100000E-04    0.998699E+00
  24    0.186861E-05    0.364032E+03 -0.513308E-08 0.100000E-04    0.998178E+00
  25   -0.714314E-05    0.352756E+03  0.202495E-07 0.100000E-04    0.992155E+00
  26   -0.106433E-04    0.343839E+03  0.309543E-07 0.100000E-04    0.991246E+00
  27   -0.591030E-05    0.324086E+03  0.182368E-07 0.100000E-04    0.993393E+00
  28   -0.531890E-05    0.323140E+03  0.164601E-07 0.100000E-04    0.997354E+00
  29   -0.633839E-05    0.318748E+03  0.198853E-07 0.100000E-04    0.986765E+00
  30   -0.468393E-05    0.316553E+03  0.147967E-07 0.100000E-04    0.987987E+00
  31   -0.156709E-05    0.305367E+03  0.513183E-08 0.100000E-04    0.978894E+00
  32   -0.602913E-07    0.287317E+03  0.209842E-09 0.100000E-04    0.789362E+00
  33    0.368376E-05    0.279967E+03 -0.131578E-07 0.100000E-04    0.992689E+00
  34    0.163931E-05    0.271581E+03 -0.603617E-08 0.100000E-04    0.995247E+00
  35    0.108036E-04    0.265778E+03 -0.406488E-07 0.100000E-04    0.991207E+00
  36    0.170033E-05    0.262067E+03 -0.648816E-08 0.100000E-04    0.986648E+00
  37   -0.462987E-05    0.257676E+03  0.179678E-07 0.100000E-04    0.990162E+00
  38   -0.258120E-05    0.253386E+03  0.101868E-07 0.100000E-04    0.990893E+00
  39   -0.790298E-05    0.244149E+03  0.323695E-07 0.100000E-04    0.992127E+00
  40    0.325209E-05    0.239545E+03 -0.135761E-07 0.100000E-04    0.980568E+00
  41    0.417238E-05    0.234168E+03 -0.178179E-07 0.100000E-04    0.984885E+00
  42   -0.194881E-05    0.228479E+03  0.852953E-08 0.100000E-04    0.986098E+00
  43    0.162385E-05    0.224826E+03 -0.722272E-08 0.100000E-04    0.983927E+00
  44   -0.157216E-05    0.212797E+03  0.738805E-08 0.100000E-04    0.955949E+00
  45    0.337166E-05    0.211141E+03 -0.159688E-07 0.100000E-04    0.995095E+00
  46    0.417676E-05    0.209893E+03 -0.198995E-07 0.100000E-04    0.981324E+00
  47   -0.112316E-04    0.202894E+03  0.553569E-07 0.100000E-04    0.989618E+00
  48   -0.104591E-05    0.198607E+03  0.526624E-08 0.100000E-04    0.992151E+00
  49    0.590632E-05    0.195330E+03 -0.302377E-07 0.100000E-04    0.988105E+00
  50   -0.467694E-05    0.191643E+03  0.244044E-07 0.100000E-04    0.994637E+00
  51   -0.441261E-05    0.186425E+03  0.236696E-07 0.100000E-04    0.989375E+00
  52    0.448196E-06    0.178279E+03 -0.251402E-08 0.100000E-04    0.996757E+00
  53   -0.478383E-05    0.170692E+03  0.280262E-07 0.100000E-04    0.991248E+00
  54    0.202005E-05    0.168132E+03 -0.120147E-07 0.100000E-04    0.980751E+00
  55   -0.910994E-05    0.165758E+03  0.549593E-07 0.100000E-04    0.991659E+00
  56    0.333252E-05    0.160625E+03 -0.207473E-07 0.100000E-04    0.995369E+00
  57   -0.148015E-05    0.153759E+03  0.962642E-08 0.100000E-04    0.987778E+00
  58   -0.714258E-05    0.151054E+03  0.472849E-07 0.100000E-04    0.992928E+00
  59    0.459082E-05    0.148539E+03 -0.309065E-07 0.100000E-04    0.988475E+00
  60   -0.743593E-05    0.142535E+03  0.521692E-07 0.100000E-04    0.988398E+00
  61    0.560932E-05    0.136904E+03 -0.409727E-07 0.100000E-04    0.992160E+00
  62   -0.173198E-04    0.134675E+03  0.128605E-06 0.100000E-04    0.993193E+00
  63   -0.110490E-04    0.131016E+03  0.843328E-07 0.100000E-04    0.993775E+00
  64   -0.217762E-05    0.127693E+03  0.170536E-07 0.100000E-04    0.984256E+00
  65   -0.153687E-05    0.125698E+03  0.122267E-07 0.100000E-04    0.988633E+00
  66    0.119014E-04    0.124528E+03 -0.955724E-07 0.100000E-04    0.992368E+00
  67   -0.917899E-06    0.119422E+03  0.768618E-08 0.100000E-04    0.984979E+00
  68   -0.318187E-05    0.117962E+03  0.269736E-07 0.100000E-04    0.990999E+00
  69    0.484270E-06    0.116367E+03 -0.416159E-08 0.100000E-04    0.976459E+00
  70    0.531232E-05    0.112684E+03 -0.471435E-07 0.100000E-04    0.984276E+00
  71   -0.525670E-07    0.110238E+03  0.476848E-09 0.100000E-04    0.923244E+00
  72    0.144993E-04    0.105592E+03 -0.137314E-06 0.100000E-04    0.991933E+00
  73   -0.501493E-05    0.102825E+03  0.487714E-07 0.100000E-04    0.983839E+00
  74   -0.174410E-04    0.100537E+03  0.173480E-06 0.100000E-04    0.993092E+00
  75   -0.105948E-04    0.972245E+02  0.108972E-06 0.100000E-04    0.986137E+00
  76    0.140076E-04    0.950374E+02 -0.147390E-06 0.100000E-04    0.990794E+00
  77    0.305892E-06    0.913515E+02 -0.334852E-08 0.100000E-04    0.905081E+00
  78   -0.257656E-04    0.905650E+02  0.284498E-06 0.100000E-04    0.989234E+00
  79    0.271322E-04    0.880917E+02 -0.308000E-06 0.100000E-04    0.994705E+00
  80   -0.622563E-05    0.844611E+02  0.737100E-07 0.100000E-04    0.988012E+00
  81   -0.774106E-05    0.808883E+02  0.957006E-07 0.100000E-04    0.991572E+00
  82    0.135140E-04    0.790727E+02 -0.170906E-06 0.100000E-04    0.994781E+00
  83    0.805550E-05    0.787124E+02 -0.102341E-06 0.100000E-04    0.998843E+00
  84    0.938959E-05    0.730420E+02 -0.128550E-06 0.100000E-04    0.990983E+00
  85    0.187642E-04    0.713151E+02 -0.263117E-06 0.100000E-04    0.993362E+00
  86    0.241486E-04    0.694505E+02 -0.347709E-06 0.100000E-04    0.992620E+00
  87   -0.591766E-05    0.676532E+02  0.874705E-07 0.100000E-04    0.991504E+00
  88    0.395344E-06    0.635451E+02 -0.622146E-08 0.100000E-04    0.975648E+00
  89   -0.210821E-04    0.622738E+02  0.338539E-06 0.100000E-04    0.992489E+00
  90    0.980494E-05    0.596605E+02 -0.164346E-06 0.100000E-04    0.993793E+00
  91    0.107758E-05    0.585553E+02 -0.184028E-07 0.100000E-04    0.984417E+00
  92    0.223918E-04    0.558244E+02 -0.401112E-06 0.100000E-04    0.988380E+00
  93   -0.298255E-04    0.536521E+02  0.555905E-06 0.100000E-04    0.995129E+00
  94   -0.131385E-04    0.523150E+02  0.251142E-06 0.100000E-04    0.991376E+00
  95   -0.285438E-04    0.503002E+02  0.567469E-06 0.100000E-04    0.995613E+00
  96   -0.787621E-05    0.480221E+02  0.164012E-06 0.100000E-04    0.992838E+00
  97    0.168210E-04    0.436786E+02 -0.385109E-06 0.100000E-04    0.992786E+00
  98    0.122386E-04    0.397961E+02 -0.307532E-06 0.100000E-04    0.992580E+00
  99    0.217392E-04    0.375400E+02 -0.579094E-06 0.100000E-04    0.988029E+00
 100   -0.282041E-04    0.361746E+02  0.779666E-06 0.100000E-04    0.995635E+00
 101   -0.803484E-04    0.347190E+02  0.231425E-05 0.100000E-04    0.992708E+00
 102    0.329194E-04    0.296056E+02 -0.111193E-05 0.100000E-04    0.995211E+00
 103    0.264414E-04    0.289928E+02 -0.911999E-06 0.100000E-04    0.993504E+00
 104   -0.353278E-04    0.287121E+02  0.123042E-05 0.100000E-04    0.996433E+00
 105   -0.154782E-04    0.234723E+02  0.659423E-06 0.100000E-04    0.984686E+00
 106   -0.351862E-05    0.218934E+02  0.160716E-06 0.100000E-04    0.952607E+00
 107   -0.800317E-04    0.195863E+02  0.408610E-05 0.100000E-04    0.993136E+00
 108   -0.833721E-04    0.166098E+02  0.501946E-05 0.100000E-04    0.998211E+00
 109    0.595251E-04    0.138774E+02 -0.428936E-05 0.100000E-04    0.994709E+00
 110   -0.426664E-04    0.126311E+02  0.337789E-05 0.100000E-04    0.983480E+00
 111    0.948154E-04    0.115896E+02 -0.818111E-05 0.100000E-04    0.990658E+00
 112   -0.251956E-04    0.940289E+01  0.267956E-05 0.100000E-04    0.996190E+00
 113   -0.278402E-02    0.758444E+01  0.105107E-04 0.105107E-04    0.294036E+00
 114   -0.216677E+00    0.480424E+01 -0.400000E-03 0.400000E-03    0.117257E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4500990284E-01

 Beginning of optimization cycle   94.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3980523372
 potential> RMS force:                                               0.0204752421   |gradient|=.2186157622    
 Eigenvalues of the Hessian matrix:
   719.14298    670.50299    623.24187    603.26143    589.66551    563.93839 
   561.35726    478.02741    470.43663    463.45185    441.53490    431.77672 
   420.31220    405.62197    398.39729    388.35273    366.94546    364.02167 
   352.74547    343.79844    324.09184    323.11490    318.73957    316.57145 
   305.36554    287.31907    279.96362    271.57409    265.77734    262.07384 
   257.67791    253.38727    244.13449    239.53350    234.17816    228.48129 
   224.80703    212.79253    211.14341    209.88536    202.89607    198.60194 
   195.33260    191.64222    186.42039    178.26371    170.69287    168.13078 
   165.75670    160.62179    153.75389    151.05349    148.54605    142.53910 
   136.90455    134.67910    131.01559    127.69234    125.70163    124.53516 
   119.42212    117.96167    116.37048    112.67708    110.23095    105.58824 
   102.82520    100.53219     97.22387     95.03834     91.34505     90.57068 
    88.10311     84.46220     80.88799     79.07581     78.71088     73.03914 
    71.31816     69.44181     67.65682     63.54177     62.26865     59.66042 
    58.55843     55.82427     53.65044     52.31347     50.30050     48.02144 
    43.67402     39.79909     37.53218     36.17634     34.72571     29.59619 
    28.99156     28.71256     23.46698     21.89425     19.58590     16.61300 
    13.87566     12.62685     11.58077      9.40480      7.58531      4.80506 
overlap for current and previous eigenvector    109 is         0.9999957520
overlap for current and previous eigenvector    110 is         0.9999907528
overlap for current and previous eigenvector    111 is         0.9999877228
overlap for current and previous eigenvector    112 is         0.9999995938
overlap for current and previous eigenvector    113 is         0.9999992809
overlap for current and previous eigenvector    114 is         0.9999992711
J1,K1,R1,R2,RAT=   7   7    0.5514650570E-01     1.944688387        0.9446883874    
FOB,PFOB,DIAG,PSTEP=    0.1390707000E-06    0.1471882900E-06     719.1429840       -0.2046886991E-09
J1,K1,R1,R2,RAT=   8   8   -0.2898415861E-02     2.002844074        0.9971015841    
FOB,PFOB,DIAG,PSTEP=   -0.6419627226E-06   -0.6401073748E-06     670.5029865        0.9546933875E-09
J1,K1,R1,R2,RAT=   9   9    0.6320679748E-02     1.993604908        0.9936049084    
FOB,PFOB,DIAG,PSTEP=    0.6100595407E-06    0.6139402045E-06     623.2418732       -0.9851119991E-09
J1,K1,R1,R2,RAT=  10  10   -0.7226847183E-02     2.007169768        0.9927731528    
FOB,PFOB,DIAG,PSTEP=    0.1315729841E-05    0.1306289219E-05     603.2614284       -0.2165440122E-08
J1,K1,R1,R2,RAT=  11  11   -0.3435930098E-02     2.003431287        0.9965640699    
FOB,PFOB,DIAG,PSTEP=   -0.9399881968E-06   -0.9367695148E-06     589.6655108        0.1588649281E-08
J1,K1,R1,R2,RAT= 109 109   -0.4826850362E-02     2.005076734        0.9951731496    
FOB,PFOB,DIAG,PSTEP=    0.5981242195E-04    0.5952513890E-04     13.87565797       -0.4289360749E-05
J1,K1,R1,R2,RAT= 110 110   -0.2459574826E-01     2.025269046        0.9754042517    
FOB,PFOB,DIAG,PSTEP=   -0.4371546256E-04   -0.4266640361E-04     12.62684738        0.3377885512E-05
J1,K1,R1,R2,RAT= 111 111   -0.6014848904E-02     2.007533364        0.9939851511    
FOB,PFOB,DIAG,PSTEP=    0.9538530605E-04    0.9481543819E-04     11.58076922       -0.8181106249E-05
J1,K1,R1,R2,RAT= 112 112    0.1276241224E-01     1.986831386        0.9868313861    
FOB,PFOB,DIAG,PSTEP=   -0.2487398327E-04   -0.2519560530E-04     9.404797724        0.2679560404E-05
J1,K1,R1,R2,RAT= 113 113   -0.9061849536         70.74475501        0.9381504638E-01
FOB,PFOB,DIAG,PSTEP=   -0.2856267491E-02   -0.2784019824E-02     7.585311916        0.1051074588E-04
J1,K1,R1,R2,RAT= 114 114    0.9988069131        -226.4664073        0.1193086905E-02
FOB,PFOB,DIAG,PSTEP=   -0.2185969906       -0.2166772581         4.805064179       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00001     -0.00000      0.00001 
     0.00001      0.00002      0.00001     -0.00001      0.00000     -0.00003 
     0.00003     -0.00001      0.00001      0.00001      0.00001      0.00001 
     0.00002     -0.00002      0.00001      0.00000     -0.00002      0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003     -0.00001 
    -0.00002     -0.00001     -0.00002      0.00003      0.00008      0.00003 
     0.00003     -0.00004     -0.00002     -0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00010     -0.00002     -0.00286     -0.21860 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4369696707
 Log product of positive Hessian eigenvalues =          520.4453556147
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8050641789
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000010
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000047
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000111
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000024
 Unscaled step for mode   17=       -0.0000000022
 Unscaled step for mode   18=       -0.0000000069
 Unscaled step for mode   19=       -0.0000000141
 Unscaled step for mode   20=       -0.0000000185
 Unscaled step for mode   21=       -0.0000000104
 Unscaled step for mode   22=        0.0000000011
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000204
 Unscaled step for mode   26=        0.0000000312
 Unscaled step for mode   27=        0.0000000183
 Unscaled step for mode   28=        0.0000000165
 Unscaled step for mode   29=        0.0000000201
 Unscaled step for mode   30=        0.0000000150
 Unscaled step for mode   31=        0.0000000052
 Unscaled step for mode   32=        0.0000000003
 Unscaled step for mode   33=       -0.0000000133
 Unscaled step for mode   34=       -0.0000000061
 Unscaled step for mode   35=       -0.0000000409
 Unscaled step for mode   36=       -0.0000000066
 Unscaled step for mode   37=        0.0000000181
 Unscaled step for mode   38=        0.0000000102
 Unscaled step for mode   39=        0.0000000327
 Unscaled step for mode   40=       -0.0000000138
 Unscaled step for mode   41=       -0.0000000181
 Unscaled step for mode   42=        0.0000000086
 Unscaled step for mode   43=       -0.0000000073
 Unscaled step for mode   44=        0.0000000075
 Unscaled step for mode   45=       -0.0000000160
 Unscaled step for mode   46=       -0.0000000201
 Unscaled step for mode   47=        0.0000000558
 Unscaled step for mode   48=        0.0000000052
 Unscaled step for mode   49=       -0.0000000305
 Unscaled step for mode   50=        0.0000000247
 Unscaled step for mode   51=        0.0000000238
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000282
 Unscaled step for mode   54=       -0.0000000122
 Unscaled step for mode   55=        0.0000000553
 Unscaled step for mode   56=       -0.0000000210
 Unscaled step for mode   57=        0.0000000097
 Unscaled step for mode   58=        0.0000000477
 Unscaled step for mode   59=       -0.0000000310
 Unscaled step for mode   60=        0.0000000525
 Unscaled step for mode   61=        0.0000000414
 Unscaled step for mode   62=        0.0000001295
 Unscaled step for mode   63=        0.0000000851
 Unscaled step for mode   64=        0.0000000173
 Unscaled step for mode   65=        0.0000000122
 Unscaled step for mode   66=       -0.0000000964
 Unscaled step for mode   67=        0.0000000077
 Unscaled step for mode   68=        0.0000000272
 Unscaled step for mode   69=       -0.0000000040
 Unscaled step for mode   70=       -0.0000000477
 Unscaled step for mode   71=        0.0000000004
 Unscaled step for mode   72=       -0.0000001388
 Unscaled step for mode   73=       -0.0000000495
 Unscaled step for mode   74=       -0.0000001749
 Unscaled step for mode   75=       -0.0000001101
 Unscaled step for mode   76=        0.0000001487
 Unscaled step for mode   77=       -0.0000000032
 Unscaled step for mode   78=        0.0000002868
 Unscaled step for mode   79=       -0.0000003097
 Unscaled step for mode   80=        0.0000000745
 Unscaled step for mode   81=       -0.0000000966
 Unscaled step for mode   82=       -0.0000001720
 Unscaled step for mode   83=       -0.0000001020
 Unscaled step for mode   84=       -0.0000001302
 Unscaled step for mode   85=       -0.0000002654
 Unscaled step for mode   86=        0.0000003503
 Unscaled step for mode   87=       -0.0000000873
 Unscaled step for mode   88=       -0.0000000054
 Unscaled step for mode   89=        0.0000003415
 Unscaled step for mode   90=       -0.0000001664
 Unscaled step for mode   91=       -0.0000000182
 Unscaled step for mode   92=       -0.0000004049
 Unscaled step for mode   93=        0.0000005596
 Unscaled step for mode   94=        0.0000002544
 Unscaled step for mode   95=        0.0000005707
 Unscaled step for mode   96=        0.0000001645
 Unscaled step for mode   97=        0.0000003888
 Unscaled step for mode   98=        0.0000003097
 Unscaled step for mode   99=        0.0000005895
 Unscaled step for mode  100=       -0.0000007846
 Unscaled step for mode  101=       -0.0000023303
 Unscaled step for mode  102=       -0.0000011237
 Unscaled step for mode  103=       -0.0000009191
 Unscaled step for mode  104=        0.0000012395
 Unscaled step for mode  105=        0.0000006670
 Unscaled step for mode  106=        0.0000001673
 Unscaled step for mode  107=        0.0000041243
 Unscaled step for mode  108=        0.0000050219
 Unscaled step for mode  109=       -0.0000043106
 Unscaled step for mode  110=        0.0000034621
 Unscaled step for mode  111=       -0.0000082365
 Unscaled step for mode  112=        0.0000026448
 Unscaled step for mode  113=        0.0003765524
 Unscaled step for mode  114=       -0.0453992774
 Largest modulus ratio of non-zero e/values=           149.6635544    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.642498E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.384350E-15    0.100769E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.326900E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.738992E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.355086E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.162942E-15    0.973508E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.139071E-06    0.719143E+03 -0.193384E-09 0.100000E-04    0.944688E+00
   8   -0.641963E-06    0.670503E+03  0.957435E-09 0.100000E-04    0.997102E+00
   9    0.610060E-06    0.623242E+03 -0.978849E-09 0.100000E-04    0.993605E+00
  10    0.131573E-05    0.603261E+03 -0.218103E-08 0.100000E-04    0.992773E+00
  11   -0.939988E-06    0.589666E+03  0.159410E-08 0.100000E-04    0.996564E+00
  12    0.263152E-05    0.563938E+03 -0.466633E-08 0.100000E-04    0.998199E+00
  13    0.198475E-05    0.561357E+03 -0.353563E-08 0.100000E-04    0.999526E+00
  14   -0.532178E-05    0.478027E+03  0.111328E-07 0.100000E-04    0.996777E+00
  15    0.160956E-05    0.470437E+03 -0.342143E-08 0.100000E-04    0.996947E+00
  16    0.109954E-05    0.463452E+03 -0.237250E-08 0.100000E-04    0.981693E+00
  17    0.986066E-06    0.441535E+03 -0.223327E-08 0.100000E-04    0.977168E+00
  18    0.296196E-05    0.431777E+03 -0.685993E-08 0.100000E-04    0.996250E+00
  19    0.594740E-05    0.420312E+03 -0.141499E-07 0.100000E-04    0.992275E+00
  20    0.748399E-05    0.405622E+03 -0.184506E-07 0.100000E-04    0.995439E+00
  21    0.413857E-05    0.398397E+03 -0.103881E-07 0.100000E-04    0.991997E+00
  22   -0.427938E-06    0.388353E+03  0.110193E-08 0.100000E-04    0.960434E+00
  23   -0.197035E-05    0.366945E+03  0.536960E-08 0.100000E-04    0.999622E+00
  24    0.187098E-05    0.364022E+03 -0.513974E-08 0.100000E-04    0.998731E+00
  25   -0.719469E-05    0.352745E+03  0.203963E-07 0.100000E-04    0.992783E+00
  26   -0.107365E-04    0.343798E+03  0.312292E-07 0.100000E-04    0.991236E+00
  27   -0.594002E-05    0.324092E+03  0.183282E-07 0.100000E-04    0.994971E+00
  28   -0.532482E-05    0.323115E+03  0.164796E-07 0.100000E-04    0.998887E+00
  29   -0.639832E-05    0.318740E+03  0.200738E-07 0.100000E-04    0.990546E+00
  30   -0.474529E-05    0.316571E+03  0.149896E-07 0.100000E-04    0.986901E+00
  31   -0.158395E-05    0.305366E+03  0.518707E-08 0.100000E-04    0.989242E+00
  32   -0.771466E-07    0.287319E+03  0.268505E-09 0.100000E-04    0.720436E+00
  33    0.371653E-05    0.279964E+03 -0.132750E-07 0.100000E-04    0.991105E+00
  34    0.166438E-05    0.271574E+03 -0.612864E-08 0.100000E-04    0.984707E+00
  35    0.108797E-04    0.265777E+03 -0.409352E-07 0.100000E-04    0.992956E+00
  36    0.173205E-05    0.262074E+03 -0.660901E-08 0.100000E-04    0.981346E+00
  37   -0.466923E-05    0.257678E+03  0.181204E-07 0.100000E-04    0.991500E+00
  38   -0.258870E-05    0.253387E+03  0.102164E-07 0.100000E-04    0.997094E+00
  39   -0.797282E-05    0.244134E+03  0.326575E-07 0.100000E-04    0.991163E+00
  40    0.330342E-05    0.239533E+03 -0.137911E-07 0.100000E-04    0.984215E+00
  41    0.423766E-05    0.234178E+03 -0.180959E-07 0.100000E-04    0.984355E+00
  42   -0.197279E-05    0.228481E+03  0.863434E-08 0.100000E-04    0.987700E+00
  43    0.163556E-05    0.224807E+03 -0.727539E-08 0.100000E-04    0.992789E+00
  44   -0.159749E-05    0.212793E+03  0.750727E-08 0.100000E-04    0.983886E+00
  45    0.338024E-05    0.211143E+03 -0.160092E-07 0.100000E-04    0.997455E+00
  46    0.422678E-05    0.209885E+03 -0.201385E-07 0.100000E-04    0.988024E+00
  47   -0.113202E-04    0.202896E+03  0.557933E-07 0.100000E-04    0.992106E+00
  48   -0.103598E-05    0.198602E+03  0.521639E-08 0.100000E-04    0.990509E+00
  49    0.596261E-05    0.195333E+03 -0.305254E-07 0.100000E-04    0.990470E+00
  50   -0.472492E-05    0.191642E+03  0.246549E-07 0.100000E-04    0.989742E+00
  51   -0.443996E-05    0.186420E+03  0.238169E-07 0.100000E-04    0.993801E+00
  52    0.446713E-06    0.178264E+03 -0.250591E-08 0.100000E-04    0.996691E+00
  53   -0.480795E-05    0.170693E+03  0.281672E-07 0.100000E-04    0.994958E+00
  54    0.204653E-05    0.168131E+03 -0.121723E-07 0.100000E-04    0.986889E+00
  55   -0.917273E-05    0.165757E+03  0.553385E-07 0.100000E-04    0.993109E+00
  56    0.336592E-05    0.160622E+03 -0.209556E-07 0.100000E-04    0.989978E+00
  57   -0.148451E-05    0.153754E+03  0.965513E-08 0.100000E-04    0.997054E+00
  58   -0.720409E-05    0.151053E+03  0.476923E-07 0.100000E-04    0.991387E+00
  59    0.461138E-05    0.148546E+03 -0.310435E-07 0.100000E-04    0.995521E+00
  60   -0.747733E-05    0.142539E+03  0.524581E-07 0.100000E-04    0.994432E+00
  61   -0.566818E-05    0.136905E+03  0.414024E-07 0.100000E-04    0.989507E+00
  62   -0.174415E-04    0.134679E+03  0.129504E-06 0.100000E-04    0.992971E+00
  63   -0.111470E-04    0.131016E+03  0.850817E-07 0.100000E-04    0.991125E+00
  64   -0.220478E-05    0.127692E+03  0.172664E-07 0.100000E-04    0.987528E+00
  65   -0.153801E-05    0.125702E+03  0.122354E-07 0.100000E-04    0.999260E+00
  66    0.120056E-04    0.124535E+03 -0.964032E-07 0.100000E-04    0.991248E+00
  67   -0.915486E-06    0.119422E+03  0.766596E-08 0.100000E-04    0.997369E+00
  68   -0.321278E-05    0.117962E+03  0.272358E-07 0.100000E-04    0.990285E+00
  69    0.464530E-06    0.116370E+03 -0.399182E-08 0.100000E-04    0.959172E+00
  70    0.537147E-05    0.112677E+03 -0.476714E-07 0.100000E-04    0.988865E+00
  71   -0.391496E-07    0.110231E+03  0.355160E-09 0.100000E-04    0.744739E+00
  72    0.146584E-04    0.105588E+03 -0.138826E-06 0.100000E-04    0.989030E+00
  73    0.508751E-05    0.102825E+03 -0.494772E-07 0.100000E-04    0.985527E+00
  74    0.175873E-04    0.100532E+03 -0.174942E-06 0.100000E-04    0.991615E+00
  75    0.107087E-04    0.972239E+02 -0.110144E-06 0.100000E-04    0.989251E+00
  76   -0.141299E-04    0.950383E+02  0.148676E-06 0.100000E-04    0.991265E+00
  77    0.295720E-06    0.913450E+02 -0.323739E-08 0.100000E-04    0.966743E+00
  78   -0.259743E-04    0.905707E+02  0.286785E-06 0.100000E-04    0.991902E+00
  79    0.272855E-04    0.881031E+02 -0.309700E-06 0.100000E-04    0.994351E+00
  80   -0.629128E-05    0.844622E+02  0.744864E-07 0.100000E-04    0.989454E+00
  81    0.781679E-05    0.808880E+02 -0.966372E-07 0.100000E-04    0.990217E+00
  82    0.136049E-04    0.790758E+02 -0.172049E-06 0.100000E-04    0.993276E+00
  83    0.802499E-05    0.787109E+02 -0.101955E-06 0.100000E-04    0.996212E+00
  84    0.950800E-05    0.730391E+02 -0.130177E-06 0.100000E-04    0.987388E+00
  85    0.189291E-04    0.713182E+02 -0.265418E-06 0.100000E-04    0.991211E+00
  86   -0.243252E-04    0.694418E+02  0.350296E-06 0.100000E-04    0.992685E+00
  87    0.590333E-05    0.676568E+02 -0.872541E-07 0.100000E-04    0.997473E+00
  88    0.342439E-06    0.635418E+02 -0.538919E-08 0.100000E-04    0.866172E+00
  89   -0.212654E-04    0.622686E+02  0.341511E-06 0.100000E-04    0.991304E+00
  90    0.992533E-05    0.596604E+02 -0.166364E-06 0.100000E-04    0.987721E+00
  91    0.106529E-05    0.585584E+02 -0.181920E-07 0.100000E-04    0.988491E+00
  92    0.226029E-04    0.558243E+02 -0.404893E-06 0.100000E-04    0.990573E+00
  93   -0.300239E-04    0.536504E+02  0.559620E-06 0.100000E-04    0.993348E+00
  94   -0.133102E-04    0.523135E+02  0.254431E-06 0.100000E-04    0.986932E+00
  95   -0.287041E-04    0.503005E+02  0.570652E-06 0.100000E-04    0.994385E+00
  96   -0.790092E-05    0.480214E+02  0.164529E-06 0.100000E-04    0.996862E+00
  97   -0.169796E-04    0.436740E+02  0.388780E-06 0.100000E-04    0.990572E+00
  98   -0.123264E-04    0.397991E+02  0.309716E-06 0.100000E-04    0.992826E+00
  99   -0.221270E-04    0.375322E+02  0.589548E-06 0.100000E-04    0.982155E+00
 100    0.283849E-04    0.361763E+02 -0.784625E-06 0.100000E-04    0.993591E+00
 101    0.809228E-04    0.347257E+02 -0.233034E-05 0.100000E-04    0.992852E+00
 102    0.332570E-04    0.295962E+02 -0.112369E-05 0.100000E-04    0.989741E+00
 103    0.266469E-04    0.289916E+02 -0.919127E-06 0.100000E-04    0.992227E+00
 104   -0.355881E-04    0.287126E+02  0.123946E-05 0.100000E-04    0.992633E+00
 105   -0.156534E-04    0.234670E+02  0.667039E-06 0.100000E-04    0.988677E+00
 106   -0.366187E-05    0.218943E+02  0.167252E-06 0.100000E-04    0.959289E+00
 107   -0.807789E-04    0.195859E+02  0.412434E-05 0.100000E-04    0.990664E+00
 108   -0.834295E-04    0.166130E+02  0.502194E-05 0.100000E-04    0.999312E+00
 109    0.598124E-04    0.138757E+02 -0.431060E-05 0.100000E-04    0.995173E+00
 110   -0.437155E-04    0.126268E+02  0.346210E-05 0.100000E-04    0.975404E+00
 111    0.953853E-04    0.115808E+02 -0.823653E-05 0.100000E-04    0.993985E+00
 112   -0.248740E-04    0.940480E+01  0.264482E-05 0.100000E-04    0.986831E+00
 113   -0.285627E-02    0.758531E+01  0.114567E-04 0.114567E-04    0.938150E-01
 114   -0.218597E+00    0.480506E+01 -0.400000E-03 0.400000E-03    0.119309E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4539927740E-01

 Beginning of optimization cycle   95.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3979645475
 potential> RMS force:                                               0.0206551336   |gradient|=.2205364778    
 Eigenvalues of the Hessian matrix:
   719.20231    670.52109    623.26492    603.27861    589.66670    563.96011 
   561.39561    478.04294    470.41432    463.44011    441.53183    431.76604 
   420.31998    405.63277    398.39372    388.35755    366.94650    364.01118 
   352.73550    343.75819    324.09722    323.08996    318.73082    316.58954 
   305.36377    287.32080    279.96003    271.56711    265.77641    262.08123 
   257.67980    253.38836    244.12002    239.52247    234.18848    228.48408 
   224.78855    212.78809    211.14606    209.87743    202.89822    198.59702 
   195.33568    191.64122    186.41549    178.24887    170.69422    168.12970 
   165.75541    160.61878    153.74838    151.05286    148.55295    142.54348 
   136.90514    134.68356    131.01482    127.69168    125.70516    124.54261 
   119.42225    117.96091    116.37442    112.67005    110.22337    105.58432 
   102.82519    100.52786     97.22322     95.03922     91.33865     90.57638 
    88.11459     84.46330     80.88767     79.07891     78.70934     73.03625 
    71.32124     69.43308     67.66035     63.53847     62.26340     59.66033 
    58.56154     55.82417     53.64868     52.31196     50.30077     48.02074 
    43.66947     39.80204     37.52438     36.17798     34.73244     29.58682 
    28.99032     28.71300     23.46165     21.89511     19.58553     16.61618 
    13.87394     12.62264     11.57189      9.40671      7.58615      4.80585 
overlap for current and previous eigenvector    109 is         0.9999958042
overlap for current and previous eigenvector    110 is         0.9999908402
overlap for current and previous eigenvector    111 is         0.9999877887
overlap for current and previous eigenvector    112 is         0.9999995912
overlap for current and previous eigenvector    113 is         0.9999992813
overlap for current and previous eigenvector    114 is         0.9999992757
J1,K1,R1,R2,RAT=   7   7    0.3252266465E-01     1.967312356        0.9673123556    
FOB,PFOB,DIAG,PSTEP=    0.1345473771E-06    0.1390707000E-06     719.2023109       -0.1933839348E-09
J1,K1,R1,R2,RAT=   8   8   -0.3328770213E-01     2.033233705        0.9667122979    
FOB,PFOB,DIAG,PSTEP=   -0.6633327634E-06   -0.6419627226E-06     670.5210898        0.9574345462E-09
J1,K1,R1,R2,RAT=   9   9   -0.1551877782E-01     2.015444823        0.9844812222    
FOB,PFOB,DIAG,PSTEP=    0.6195272693E-06    0.6100595407E-06     623.2649200       -0.9788487696E-09
J1,K1,R1,R2,RAT=  10  10   -0.1477145685E-03     2.000090739        0.9998522854    
FOB,PFOB,DIAG,PSTEP=    0.1315924199E-05    0.1315729841E-05     603.2786145       -0.2181027626E-08
J1,K1,R1,R2,RAT=  11  11   -0.3564607918E-03     2.000352431        0.9996435392    
FOB,PFOB,DIAG,PSTEP=   -0.9403232664E-06   -0.9399881968E-06     589.6666988        0.1594104080E-08
J1,K1,R1,R2,RAT= 109 109   -0.5139019902E-02     2.005387033        0.9948609801    
FOB,PFOB,DIAG,PSTEP=    0.6011976106E-04    0.5981242195E-04     13.87393750       -0.4310600772E-05
J1,K1,R1,R2,RAT= 110 110   -0.1615825175E-01     2.016825368        0.9838417482    
FOB,PFOB,DIAG,PSTEP=   -0.4442159248E-04   -0.4371546256E-04     12.62263700        0.3462104296E-05
J1,K1,R1,R2,RAT= 111 111   -0.9094406123E-02     2.010629237        0.9909055939    
FOB,PFOB,DIAG,PSTEP=    0.9625211356E-04    0.9538530605E-04     11.57188878       -0.8236525934E-05
J1,K1,R1,R2,RAT= 112 112    0.3871085938E-02     1.995722300        0.9957223004    
FOB,PFOB,DIAG,PSTEP=   -0.2477767437E-04   -0.2487398327E-04     9.406710172        0.2644818528E-05
J1,K1,R1,R2,RAT= 113 113   -0.7540038943         66.48151290        0.2459961057    
FOB,PFOB,DIAG,PSTEP=   -0.2921799772E-02   -0.2856267491E-02     7.586154179        0.1145671301E-04
J1,K1,R1,R2,RAT= 114 114    0.9987925463        -228.4267921        0.1207453663E-02
FOB,PFOB,DIAG,PSTEP=   -0.2205170096       -0.2185969906         4.805850446       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00000     -0.00001 
     0.00001     -0.00002     -0.00001     -0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00001     -0.00000      0.00001 
     0.00001      0.00002      0.00001     -0.00001      0.00000     -0.00003 
     0.00003     -0.00001      0.00001      0.00001      0.00001      0.00001 
     0.00002     -0.00002      0.00001     -0.00000      0.00002      0.00001 
     0.00000      0.00002     -0.00003     -0.00001     -0.00003     -0.00001 
     0.00002      0.00001      0.00002     -0.00003     -0.00008      0.00003 
     0.00003     -0.00004     -0.00002     -0.00000     -0.00008     -0.00008 
     0.00006     -0.00004      0.00010     -0.00002     -0.00292     -0.22052 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4370202332
 Log product of positive Hessian eigenvalues =          520.4438873779
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8058504465
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000010
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000047
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000112
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000024
 Unscaled step for mode   17=       -0.0000000022
 Unscaled step for mode   18=       -0.0000000069
 Unscaled step for mode   19=       -0.0000000142
 Unscaled step for mode   20=       -0.0000000185
 Unscaled step for mode   21=       -0.0000000105
 Unscaled step for mode   22=        0.0000000011
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000206
 Unscaled step for mode   26=        0.0000000315
 Unscaled step for mode   27=        0.0000000185
 Unscaled step for mode   28=        0.0000000165
 Unscaled step for mode   29=        0.0000000203
 Unscaled step for mode   30=        0.0000000152
 Unscaled step for mode   31=        0.0000000053
 Unscaled step for mode   32=        0.0000000003
 Unscaled step for mode   33=       -0.0000000134
 Unscaled step for mode   34=       -0.0000000062
 Unscaled step for mode   35=       -0.0000000413
 Unscaled step for mode   36=       -0.0000000067
 Unscaled step for mode   37=        0.0000000183
 Unscaled step for mode   38=        0.0000000103
 Unscaled step for mode   39=        0.0000000329
 Unscaled step for mode   40=       -0.0000000141
 Unscaled step for mode   41=       -0.0000000184
 Unscaled step for mode   42=        0.0000000088
 Unscaled step for mode   43=       -0.0000000074
 Unscaled step for mode   44=        0.0000000078
 Unscaled step for mode   45=       -0.0000000161
 Unscaled step for mode   46=       -0.0000000205
 Unscaled step for mode   47=        0.0000000564
 Unscaled step for mode   48=        0.0000000052
 Unscaled step for mode   49=       -0.0000000309
 Unscaled step for mode   50=        0.0000000248
 Unscaled step for mode   51=        0.0000000241
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000284
 Unscaled step for mode   54=       -0.0000000124
 Unscaled step for mode   55=        0.0000000558
 Unscaled step for mode   56=       -0.0000000211
 Unscaled step for mode   57=        0.0000000098
 Unscaled step for mode   58=        0.0000000480
 Unscaled step for mode   59=       -0.0000000314
 Unscaled step for mode   60=        0.0000000531
 Unscaled step for mode   61=       -0.0000000417
 Unscaled step for mode   62=        0.0000001304
 Unscaled step for mode   63=        0.0000000856
 Unscaled step for mode   64=        0.0000000175
 Unscaled step for mode   65=        0.0000000121
 Unscaled step for mode   66=       -0.0000000971
 Unscaled step for mode   67=        0.0000000078
 Unscaled step for mode   68=        0.0000000275
 Unscaled step for mode   69=       -0.0000000039
 Unscaled step for mode   70=       -0.0000000484
 Unscaled step for mode   71=        0.0000000003
 Unscaled step for mode   72=       -0.0000001399
 Unscaled step for mode   73=       -0.0000000503
 Unscaled step for mode   74=       -0.0000001761
 Unscaled step for mode   75=       -0.0000001117
 Unscaled step for mode   76=        0.0000001500
 Unscaled step for mode   77=       -0.0000000035
 Unscaled step for mode   78=        0.0000002898
 Unscaled step for mode   79=       -0.0000003112
 Unscaled step for mode   80=        0.0000000754
 Unscaled step for mode   81=       -0.0000000974
 Unscaled step for mode   82=       -0.0000001729
 Unscaled step for mode   83=       -0.0000001021
 Unscaled step for mode   84=       -0.0000001313
 Unscaled step for mode   85=       -0.0000002671
 Unscaled step for mode   86=        0.0000003529
 Unscaled step for mode   87=       -0.0000000865
 Unscaled step for mode   88=        0.0000000052
 Unscaled step for mode   89=       -0.0000003441
 Unscaled step for mode   90=       -0.0000001674
 Unscaled step for mode   91=       -0.0000000179
 Unscaled step for mode   92=       -0.0000004095
 Unscaled step for mode   93=        0.0000005623
 Unscaled step for mode   94=        0.0000002566
 Unscaled step for mode   95=        0.0000005731
 Unscaled step for mode   96=        0.0000001657
 Unscaled step for mode   97=       -0.0000003916
 Unscaled step for mode   98=       -0.0000003120
 Unscaled step for mode   99=       -0.0000005967
 Unscaled step for mode  100=        0.0000007878
 Unscaled step for mode  101=        0.0000023464
 Unscaled step for mode  102=       -0.0000011294
 Unscaled step for mode  103=       -0.0000009250
 Unscaled step for mode  104=        0.0000012437
 Unscaled step for mode  105=        0.0000006771
 Unscaled step for mode  106=        0.0000001592
 Unscaled step for mode  107=        0.0000041520
 Unscaled step for mode  108=        0.0000050289
 Unscaled step for mode  109=       -0.0000043333
 Unscaled step for mode  110=        0.0000035192
 Unscaled step for mode  111=       -0.0000083178
 Unscaled step for mode  112=        0.0000026340
 Unscaled step for mode  113=        0.0003851490
 Unscaled step for mode  114=       -0.0457889131
 Largest modulus ratio of non-zero e/values=           149.6514132    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.331983E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.459051E-15    0.100769E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.552996E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.253703E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.747842E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.636833E-16    0.973510E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.134547E-06    0.719202E+03 -0.187079E-09 0.100000E-04    0.967312E+00
   8   -0.663333E-06    0.670521E+03  0.989279E-09 0.100000E-04    0.966712E+00
   9    0.619527E-06    0.623265E+03 -0.994003E-09 0.100000E-04    0.984481E+00
  10    0.131592E-05    0.603279E+03 -0.218129E-08 0.100000E-04    0.999852E+00
  11   -0.940323E-06    0.589667E+03  0.159467E-08 0.100000E-04    0.999644E+00
  12    0.264768E-05    0.563960E+03 -0.469479E-08 0.100000E-04    0.993862E+00
  13    0.197031E-05    0.561396E+03 -0.350967E-08 0.100000E-04    0.992589E+00
  14   -0.533435E-05    0.478043E+03  0.111587E-07 0.100000E-04    0.997638E+00
  15    0.162025E-05    0.470414E+03 -0.344430E-08 0.100000E-04    0.993363E+00
  16    0.110873E-05    0.463440E+03 -0.239239E-08 0.100000E-04    0.991643E+00
  17    0.991830E-06    0.441532E+03 -0.224634E-08 0.100000E-04    0.994155E+00
  18    0.298133E-05    0.431766E+03 -0.690496E-08 0.100000E-04    0.993461E+00
  19    0.598904E-05    0.420320E+03 -0.142488E-07 0.100000E-04    0.992998E+00
  20    0.750693E-05    0.405633E+03 -0.185067E-07 0.100000E-04    0.996935E+00
  21    0.416593E-05    0.398394E+03 -0.104568E-07 0.100000E-04    0.993390E+00
  22   -0.414228E-06    0.388358E+03  0.106661E-08 0.100000E-04    0.967939E+00
  23   -0.196748E-05    0.366946E+03  0.536175E-08 0.100000E-04    0.998536E+00
  24    0.187410E-05    0.364011E+03 -0.514846E-08 0.100000E-04    0.998331E+00
  25   -0.725033E-05    0.352736E+03  0.205546E-07 0.100000E-04    0.992266E+00
  26   -0.108293E-04    0.343758E+03  0.315028E-07 0.100000E-04    0.991356E+00
  27   -0.597967E-05    0.324097E+03  0.184502E-07 0.100000E-04    0.993325E+00
  28   -0.533573E-05    0.323090E+03  0.165147E-07 0.100000E-04    0.997952E+00
  29   -0.648040E-05    0.318731E+03  0.203319E-07 0.100000E-04    0.987171E+00
  30   -0.480383E-05    0.316590E+03  0.151737E-07 0.100000E-04    0.987665E+00
  31   -0.161667E-05    0.305364E+03  0.529425E-08 0.100000E-04    0.979341E+00
  32   -0.880005E-07    0.287321E+03  0.306280E-09 0.100000E-04    0.859309E+00
  33    0.374331E-05    0.279960E+03 -0.133709E-07 0.100000E-04    0.992794E+00
  34    0.167250E-05    0.271567E+03 -0.615870E-08 0.100000E-04    0.995121E+00
  35    0.109737E-04    0.265776E+03 -0.412893E-07 0.100000E-04    0.991353E+00
  36    0.175521E-05    0.262081E+03 -0.669718E-08 0.100000E-04    0.986630E+00
  37   -0.471459E-05    0.257680E+03  0.182963E-07 0.100000E-04    0.990286E+00
  38   -0.261177E-05    0.253388E+03  0.103074E-07 0.100000E-04    0.991086E+00
  39   -0.803450E-05    0.244120E+03  0.329121E-07 0.100000E-04    0.992263E+00
  40    0.336631E-05    0.239522E+03 -0.140543E-07 0.100000E-04    0.980962E+00
  41    0.430097E-05    0.234188E+03 -0.183654E-07 0.100000E-04    0.985062E+00
  42   -0.199976E-05    0.228484E+03  0.875230E-08 0.100000E-04    0.986326E+00
  43    0.166154E-05    0.224789E+03 -0.739157E-08 0.100000E-04    0.984114E+00
  44   -0.166496E-05    0.212788E+03  0.782449E-08 0.100000E-04    0.957766E+00
  45    0.339580E-05    0.211146E+03 -0.160827E-07 0.100000E-04    0.995398E+00
  46    0.430357E-05    0.209877E+03 -0.205051E-07 0.100000E-04    0.981833E+00
  47   -0.114358E-04    0.202898E+03  0.563624E-07 0.100000E-04    0.989789E+00
  48   -0.102717E-05    0.198597E+03  0.517213E-08 0.100000E-04    0.991491E+00
  49    0.603254E-05    0.195336E+03 -0.308830E-07 0.100000E-04    0.988271E+00
  50   -0.474974E-05    0.191641E+03  0.247845E-07 0.100000E-04    0.994747E+00
  51   -0.448645E-05    0.186415E+03  0.240670E-07 0.100000E-04    0.989528E+00
  52    0.445016E-06    0.178249E+03 -0.249660E-08 0.100000E-04    0.996202E+00
  53   -0.484912E-05    0.170694E+03  0.284082E-07 0.100000E-04    0.991436E+00
  54    0.208522E-05    0.168130E+03 -0.124024E-07 0.100000E-04    0.981095E+00
  55   -0.924787E-05    0.165755E+03  0.557923E-07 0.100000E-04    0.991808E+00
  56    0.338127E-05    0.160619E+03 -0.210515E-07 0.100000E-04    0.995441E+00
  57   -0.150248E-05    0.153748E+03  0.977231E-08 0.100000E-04    0.987899E+00
  58   -0.725456E-05    0.151053E+03  0.480266E-07 0.100000E-04    0.992995E+00
  59    0.466321E-05    0.148553E+03 -0.313909E-07 0.100000E-04    0.988762E+00
  60   -0.756238E-05    0.142543E+03  0.530532E-07 0.100000E-04    0.988625E+00
  61    0.571217E-05    0.136905E+03 -0.417236E-07 0.100000E-04    0.992239E+00
  62   -0.175579E-04    0.134684E+03  0.130364E-06 0.100000E-04    0.993330E+00
  63   -0.112152E-04    0.131015E+03  0.856027E-07 0.100000E-04    0.993882E+00
  64   -0.223932E-05    0.127692E+03  0.175369E-07 0.100000E-04    0.984337E+00
  65   -0.151971E-05    0.125705E+03  0.120895E-07 0.100000E-04    0.988049E+00
  66    0.120957E-04    0.124543E+03 -0.971207E-07 0.100000E-04    0.992498E+00
  67   -0.929163E-06    0.119422E+03  0.778048E-08 0.100000E-04    0.985060E+00
  68   -0.324127E-05    0.117961E+03  0.274775E-07 0.100000E-04    0.991131E+00
  69    0.452455E-06    0.116374E+03 -0.388792E-08 0.100000E-04    0.973937E+00
  70    0.545431E-05    0.112670E+03 -0.484096E-07 0.100000E-04    0.984578E+00
  71   -0.342739E-07    0.110223E+03  0.310949E-09 0.100000E-04    0.875451E+00
  72    0.147753E-04    0.105584E+03 -0.139938E-06 0.100000E-04    0.992025E+00
  73    0.516822E-05    0.102825E+03 -0.502622E-07 0.100000E-04    0.984135E+00
  74    0.177061E-04    0.100528E+03 -0.176132E-06 0.100000E-04    0.993241E+00
  75    0.108551E-04    0.972232E+02 -0.111652E-06 0.100000E-04    0.986324E+00
  76   -0.142578E-04    0.950392E+02  0.150021E-06 0.100000E-04    0.990947E+00
  77    0.322793E-06    0.913387E+02 -0.353402E-08 0.100000E-04    0.908444E+00
  78   -0.262493E-04    0.905764E+02  0.289802E-06 0.100000E-04    0.989414E+00
  79    0.274243E-04    0.881146E+02 -0.311235E-06 0.100000E-04    0.994913E+00
  80   -0.636555E-05    0.844633E+02  0.753647E-07 0.100000E-04    0.988195E+00
  81    0.788144E-05    0.808877E+02 -0.974368E-07 0.100000E-04    0.991730E+00
  82    0.136709E-04    0.790789E+02 -0.172877E-06 0.100000E-04    0.995149E+00
  83    0.803667E-05    0.787093E+02 -0.102106E-06 0.100000E-04    0.998545E+00
  84    0.959278E-05    0.730362E+02 -0.131343E-06 0.100000E-04    0.991083E+00
  85    0.190526E-04    0.713212E+02 -0.267138E-06 0.100000E-04    0.993474E+00
  86   -0.245004E-04    0.694331E+02  0.352864E-06 0.100000E-04    0.992795E+00
  87    0.584982E-05    0.676603E+02 -0.864586E-07 0.100000E-04    0.990831E+00
  88   -0.331564E-06    0.635385E+02  0.521832E-08 0.100000E-04    0.968242E+00
  89    0.214226E-04    0.622634E+02 -0.344064E-06 0.100000E-04    0.992609E+00
  90    0.998589E-05    0.596603E+02 -0.167379E-06 0.100000E-04    0.993899E+00
  91    0.104804E-05    0.585615E+02 -0.178964E-07 0.100000E-04    0.983698E+00
  92    0.228605E-04    0.558242E+02 -0.409509E-06 0.100000E-04    0.988602E+00
  93   -0.301650E-04    0.536487E+02  0.562269E-06 0.100000E-04    0.995299E+00
  94   -0.134235E-04    0.523120E+02  0.256604E-06 0.100000E-04    0.991488E+00
  95   -0.288253E-04    0.503008E+02  0.573059E-06 0.100000E-04    0.995776E+00
  96   -0.795641E-05    0.480207E+02  0.165687E-06 0.100000E-04    0.992977E+00
  97    0.170996E-04    0.436695E+02 -0.391569E-06 0.100000E-04    0.992930E+00
  98    0.124165E-04    0.398020E+02 -0.311956E-06 0.100000E-04    0.992693E+00
  99    0.223909E-04    0.375244E+02 -0.596702E-06 0.100000E-04    0.988073E+00
 100   -0.285028E-04    0.361780E+02  0.787850E-06 0.100000E-04    0.995845E+00
 101   -0.814972E-04    0.347324E+02  0.234643E-05 0.100000E-04    0.992904E+00
 102    0.334163E-04    0.295868E+02 -0.112943E-05 0.100000E-04    0.995208E+00
 103    0.268146E-04    0.289903E+02 -0.924951E-06 0.100000E-04    0.993705E+00
 104   -0.357101E-04    0.287130E+02  0.124369E-05 0.100000E-04    0.996571E+00
 105   -0.158867E-04    0.234616E+02  0.677134E-06 0.100000E-04    0.985094E+00
 106   -0.348666E-05    0.218951E+02  0.159244E-06 0.100000E-04    0.952077E+00
 107   -0.813196E-04    0.195855E+02  0.415203E-05 0.100000E-04    0.993306E+00
 108   -0.835605E-04    0.166162E+02  0.502887E-05 0.100000E-04    0.998429E+00
 109    0.601198E-04    0.138739E+02 -0.433329E-05 0.100000E-04    0.994861E+00
 110   -0.444216E-04    0.126226E+02  0.351920E-05 0.100000E-04    0.983842E+00
 111    0.962521E-04    0.115719E+02 -0.831775E-05 0.100000E-04    0.990906E+00
 112   -0.247777E-04    0.940671E+01  0.263404E-05 0.100000E-04    0.995722E+00
 113   -0.292180E-02    0.758615E+01  0.103214E-04 0.103214E-04    0.245996E+00
 114   -0.220517E+00    0.480585E+01 -0.400000E-03 0.400000E-03    0.120745E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4578891306E-01

 Beginning of optimization cycle   96.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3978759872
 potential> RMS force:                                               0.0208350624   |gradient|=.2224575914    
 Eigenvalues of the Hessian matrix:
   719.26171    670.53922    623.28792    603.29554    589.66790    563.98174 
   561.43394    478.05854    470.39201    463.42835    441.52877    431.75529 
   420.32771    405.64354    398.39012    388.36234    366.94752    364.00072 
   352.72549    343.71788    324.10259    323.06526    318.72199    316.60748 
   305.36195    287.32255    279.95642    271.56011    265.77549    262.08861 
   257.68167    253.38947    244.10556    239.51134    234.19880    228.48684 
   224.77002    212.78371    211.14877    209.86933    202.90036    198.59207 
   195.33874    191.64024    186.41052    178.23405    170.69564    168.12854 
   165.75412    160.61576    153.74289    151.05221    148.55990    142.54787 
   136.90573    134.68802    131.01408    127.69102    125.70868    124.55004 
   119.42240    117.96018    116.37837    112.66301    110.21577    105.58043 
   102.82520    100.52352     97.22254     95.04011     91.33225     90.58209 
    88.12607     84.46441     80.88735     79.08204     78.70777     73.03336 
    71.32435     69.42437     67.66391     63.53522     62.25813     59.66025 
    58.56468     55.82411     53.64692     52.31048     50.30103     48.02007 
    43.66493     39.80500     37.51661     36.17967     34.73924     29.57748 
    28.98908     28.71345     23.45631     21.89596     19.58524     16.61934 
    13.87224     12.61846     11.56295      9.40862      7.58700      4.80661 
overlap for current and previous eigenvector    109 is        -0.9999958702
overlap for current and previous eigenvector    110 is        -0.9999909551
overlap for current and previous eigenvector    111 is        -0.9999879112
overlap for current and previous eigenvector    112 is        -0.9999995881
overlap for current and previous eigenvector    113 is        -0.9999992768
overlap for current and previous eigenvector    114 is         0.9999992785
J1,K1,R1,R2,RAT=   7   7    0.6157784792E-01     1.938256978        0.9382569780    
FOB,PFOB,DIAG,PSTEP=    0.1262615549E-06    0.1345473771E-06     719.2617126       -0.1870786218E-09
J1,K1,R1,R2,RAT=   8   8   -0.3185408305E-02     2.003131339        0.9968145917    
FOB,PFOB,DIAG,PSTEP=   -0.6654458063E-06   -0.6633327634E-06     670.5392176        0.9892794926E-09
J1,K1,R1,R2,RAT=   9   9    0.6163633852E-02     1.993762553        0.9937625526    
FOB,PFOB,DIAG,PSTEP=    0.6157085891E-06    0.6195272693E-06     623.2879235       -0.9940031108E-09
J1,K1,R1,R2,RAT=  10  10   -0.7125968314E-02     2.007069850        0.9928740317    
FOB,PFOB,DIAG,PSTEP=    0.1325301696E-05    0.1315924199E-05     603.2955426       -0.2181287663E-08
J1,K1,R1,R2,RAT=  11  11   -0.3361495959E-02     2.003357412        0.9966385040    
FOB,PFOB,DIAG,PSTEP=   -0.9434841658E-06   -0.9403232664E-06     589.6679029        0.1594669104E-08
J1,K1,R1,R2,RAT= 109 109     2.004941249       -0.4696878007E-02    0.9953031220    
FOB,PFOB,DIAG,PSTEP=   -0.6040210175E-04    0.6011976106E-04     13.87224252       -0.4333287579E-05
J1,K1,R1,R2,RAT= 110 110     2.024589169       -0.2392674017E-01    0.9760732598    
FOB,PFOB,DIAG,PSTEP=    0.4548410446E-04   -0.4442159248E-04     12.61845758        0.3519200662E-05
J1,K1,R1,R2,RAT= 111 111     2.007320244       -0.5774945795E-02    0.9942250542    
FOB,PFOB,DIAG,PSTEP=   -0.9680753515E-04    0.9625211356E-04     11.56295467       -0.8317753083E-05
J1,K1,R1,R2,RAT= 112 112     1.986198253        0.1339680615E-01    0.9861982530    
FOB,PFOB,DIAG,PSTEP=    0.2444566544E-04   -0.2477767437E-04     9.408615139        0.2634042499E-05
J1,K1,R1,R2,RAT= 113 113     75.58242873       -0.9593462008        0.4065379925E-01
FOB,PFOB,DIAG,PSTEP=    0.2996924450E-02   -0.2921799772E-02     7.587002134        0.1032136307E-04
J1,K1,R1,R2,RAT= 114 114    0.9987713887        -230.3882208        0.1228611340E-02
FOB,PFOB,DIAG,PSTEP=   -0.2224372905       -0.2205170096         4.806607500       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00001     -0.00000     -0.00000     -0.00001     -0.00000      0.00001 
     0.00001     -0.00002      0.00001     -0.00000      0.00000     -0.00001 
     0.00000     -0.00000     -0.00000     -0.00001     -0.00000      0.00001 
     0.00001     -0.00002      0.00001      0.00001     -0.00000      0.00003 
    -0.00003      0.00001     -0.00001      0.00001      0.00001      0.00001 
    -0.00002      0.00002      0.00001      0.00000      0.00002     -0.00001 
    -0.00000      0.00002     -0.00003     -0.00001      0.00003      0.00001 
     0.00002     -0.00001     -0.00002      0.00003     -0.00008      0.00003 
    -0.00003      0.00004      0.00002      0.00000      0.00008     -0.00008 
    -0.00006      0.00005     -0.00010      0.00002      0.00300     -0.22244 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4370671983
 Log product of positive Hessian eigenvalues =          520.4424208190
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8066075005
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000010
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000047
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000112
 Unscaled step for mode   15=       -0.0000000034
 Unscaled step for mode   16=       -0.0000000024
 Unscaled step for mode   17=       -0.0000000023
 Unscaled step for mode   18=       -0.0000000069
 Unscaled step for mode   19=       -0.0000000144
 Unscaled step for mode   20=       -0.0000000186
 Unscaled step for mode   21=       -0.0000000105
 Unscaled step for mode   22=        0.0000000010
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000207
 Unscaled step for mode   26=        0.0000000318
 Unscaled step for mode   27=        0.0000000185
 Unscaled step for mode   28=        0.0000000165
 Unscaled step for mode   29=        0.0000000205
 Unscaled step for mode   30=        0.0000000154
 Unscaled step for mode   31=        0.0000000054
 Unscaled step for mode   32=        0.0000000004
 Unscaled step for mode   33=       -0.0000000135
 Unscaled step for mode   34=       -0.0000000063
 Unscaled step for mode   35=       -0.0000000416
 Unscaled step for mode   36=       -0.0000000068
 Unscaled step for mode   37=        0.0000000185
 Unscaled step for mode   38=        0.0000000103
 Unscaled step for mode   39=        0.0000000332
 Unscaled step for mode   40=       -0.0000000143
 Unscaled step for mode   41=       -0.0000000186
 Unscaled step for mode   42=        0.0000000089
 Unscaled step for mode   43=       -0.0000000074
 Unscaled step for mode   44=        0.0000000079
 Unscaled step for mode   45=       -0.0000000161
 Unscaled step for mode   46=       -0.0000000207
 Unscaled step for mode   47=        0.0000000568
 Unscaled step for mode   48=        0.0000000051
 Unscaled step for mode   49=       -0.0000000312
 Unscaled step for mode   50=        0.0000000250
 Unscaled step for mode   51=        0.0000000242
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000285
 Unscaled step for mode   54=        0.0000000126
 Unscaled step for mode   55=       -0.0000000562
 Unscaled step for mode   56=        0.0000000213
 Unscaled step for mode   57=        0.0000000098
 Unscaled step for mode   58=        0.0000000484
 Unscaled step for mode   59=        0.0000000315
 Unscaled step for mode   60=       -0.0000000533
 Unscaled step for mode   61=       -0.0000000422
 Unscaled step for mode   62=        0.0000001313
 Unscaled step for mode   63=       -0.0000000864
 Unscaled step for mode   64=        0.0000000178
 Unscaled step for mode   65=       -0.0000000121
 Unscaled step for mode   66=        0.0000000980
 Unscaled step for mode   67=       -0.0000000078
 Unscaled step for mode   68=        0.0000000277
 Unscaled step for mode   69=        0.0000000037
 Unscaled step for mode   70=        0.0000000489
 Unscaled step for mode   71=        0.0000000002
 Unscaled step for mode   72=       -0.0000001415
 Unscaled step for mode   73=       -0.0000000510
 Unscaled step for mode   74=        0.0000001776
 Unscaled step for mode   75=       -0.0000001128
 Unscaled step for mode   76=       -0.0000001513
 Unscaled step for mode   77=        0.0000000034
 Unscaled step for mode   78=       -0.0000002921
 Unscaled step for mode   79=        0.0000003129
 Unscaled step for mode   80=       -0.0000000761
 Unscaled step for mode   81=        0.0000000984
 Unscaled step for mode   82=       -0.0000001740
 Unscaled step for mode   83=       -0.0000001018
 Unscaled step for mode   84=       -0.0000001330
 Unscaled step for mode   85=        0.0000002694
 Unscaled step for mode   86=       -0.0000003554
 Unscaled step for mode   87=       -0.0000000862
 Unscaled step for mode   88=       -0.0000000044
 Unscaled step for mode   89=       -0.0000003470
 Unscaled step for mode   90=        0.0000001694
 Unscaled step for mode   91=        0.0000000177
 Unscaled step for mode   92=       -0.0000004133
 Unscaled step for mode   93=        0.0000005659
 Unscaled step for mode   94=        0.0000002599
 Unscaled step for mode   95=       -0.0000005762
 Unscaled step for mode   96=       -0.0000001662
 Unscaled step for mode   97=       -0.0000003952
 Unscaled step for mode   98=        0.0000003141
 Unscaled step for mode   99=        0.0000006074
 Unscaled step for mode  100=       -0.0000007927
 Unscaled step for mode  101=        0.0000023623
 Unscaled step for mode  102=       -0.0000011413
 Unscaled step for mode  103=        0.0000009320
 Unscaled step for mode  104=       -0.0000012526
 Unscaled step for mode  105=       -0.0000006848
 Unscaled step for mode  106=       -0.0000001657
 Unscaled step for mode  107=       -0.0000041898
 Unscaled step for mode  108=        0.0000050302
 Unscaled step for mode  109=        0.0000043542
 Unscaled step for mode  110=       -0.0000036046
 Unscaled step for mode  111=        0.0000083722
 Unscaled step for mode  112=       -0.0000025982
 Unscaled step for mode  113=       -0.0003950077
 Unscaled step for mode  114=       -0.0461787131
 Largest modulus ratio of non-zero e/values=           149.6402010    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.858471E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.304661E-15    0.100769E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.242861E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.661264E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.520634E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.379606E-16    0.973511E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.126262E-06    0.719262E+03 -0.175543E-09 0.100000E-04    0.938257E+00
   8   -0.665446E-06    0.670539E+03  0.992404E-09 0.100000E-04    0.996815E+00
   9    0.615709E-06    0.623288E+03 -0.987840E-09 0.100000E-04    0.993763E+00
  10    0.132530E-05    0.603296E+03 -0.219677E-08 0.100000E-04    0.992874E+00
  11   -0.943484E-06    0.589668E+03  0.160003E-08 0.100000E-04    0.996639E+00
  12    0.265241E-05    0.563982E+03 -0.470301E-08 0.100000E-04    0.998213E+00
  13    0.197068E-05    0.561434E+03 -0.351008E-08 0.100000E-04    0.999815E+00
  14   -0.535092E-05    0.478059E+03  0.111930E-07 0.100000E-04    0.996893E+00
  15    0.161531E-05    0.470392E+03 -0.343397E-08 0.100000E-04    0.996955E+00
  16    0.112860E-05    0.463428E+03 -0.243533E-08 0.100000E-04    0.982075E+00
  17    0.101387E-05    0.441529E+03 -0.229628E-08 0.100000E-04    0.977775E+00
  18    0.299237E-05    0.431755E+03 -0.693070E-08 0.100000E-04    0.996297E+00
  19    0.603474E-05    0.420328E+03 -0.143572E-07 0.100000E-04    0.992371E+00
  20    0.754036E-05    0.405644E+03 -0.185886E-07 0.100000E-04    0.995546E+00
  21    0.419866E-05    0.398390E+03 -0.105391E-07 0.100000E-04    0.992144E+00
  22   -0.396172E-06    0.388362E+03  0.102011E-08 0.100000E-04    0.956386E+00
  23   -0.196651E-05    0.366948E+03  0.535909E-08 0.100000E-04    0.999501E+00
  24    0.187617E-05    0.364001E+03 -0.515431E-08 0.100000E-04    0.998894E+00
  25   -0.730201E-05    0.352725E+03  0.207017E-07 0.100000E-04    0.992872E+00
  26   -0.109231E-04    0.343718E+03  0.317793E-07 0.100000E-04    0.991337E+00
  27   -0.601034E-05    0.324103E+03  0.185445E-07 0.100000E-04    0.994872E+00
  28   -0.533871E-05    0.323065E+03  0.165252E-07 0.100000E-04    0.999442E+00
  29   -0.653964E-05    0.318722E+03  0.205183E-07 0.100000E-04    0.990858E+00
  30   -0.486809E-05    0.316607E+03  0.153758E-07 0.100000E-04    0.986625E+00
  31   -0.163399E-05    0.305362E+03  0.535101E-08 0.100000E-04    0.989286E+00
  32   -0.105158E-06    0.287323E+03  0.365991E-09 0.100000E-04    0.805036E+00
  33    0.377623E-05    0.279956E+03 -0.134886E-07 0.100000E-04    0.991204E+00
  34    0.169775E-05    0.271560E+03 -0.625182E-08 0.100000E-04    0.984905E+00
  35    0.110499E-04    0.265775E+03 -0.415760E-07 0.100000E-04    0.993060E+00
  36    0.178752E-05    0.262089E+03 -0.682027E-08 0.100000E-04    0.981593E+00
  37   -0.475433E-05    0.257682E+03  0.184504E-07 0.100000E-04    0.991571E+00
  38   -0.261930E-05    0.253389E+03  0.103371E-07 0.100000E-04    0.997117E+00
  39   -0.810419E-05    0.244106E+03  0.331995E-07 0.100000E-04    0.991325E+00
  40    0.341863E-05    0.239511E+03 -0.142733E-07 0.100000E-04    0.984458E+00
  41    0.436737E-05    0.234199E+03 -0.186481E-07 0.100000E-04    0.984562E+00
  42   -0.202398E-05    0.228487E+03  0.885821E-08 0.100000E-04    0.987887E+00
  43    0.167366E-05    0.224770E+03 -0.744611E-08 0.100000E-04    0.992703E+00
  44   -0.169155E-05    0.212784E+03  0.794964E-08 0.100000E-04    0.984026E+00
  45    0.340448E-05    0.211149E+03 -0.161236E-07 0.100000E-04    0.997443E+00
  46    0.435393E-05    0.209869E+03 -0.207459E-07 0.100000E-04    0.988296E+00
  47   -0.115250E-04    0.202900E+03  0.568011E-07 0.100000E-04    0.992206E+00
  48   -0.101691E-05    0.198592E+03  0.512058E-08 0.100000E-04    0.990009E+00
  49    0.608928E-05    0.195339E+03 -0.311729E-07 0.100000E-04    0.990595E+00
  50   -0.479778E-05    0.191640E+03  0.250353E-07 0.100000E-04    0.989886E+00
  51   -0.451404E-05    0.186411E+03  0.242156E-07 0.100000E-04    0.993850E+00
  52    0.443432E-06    0.178234E+03 -0.248792E-08 0.100000E-04    0.996440E+00
  53   -0.487327E-05    0.170696E+03  0.285495E-07 0.100000E-04    0.995020E+00
  54   -0.211215E-05    0.168129E+03  0.125627E-07 0.100000E-04    0.987084E+00
  55    0.931062E-05    0.165754E+03 -0.561713E-07 0.100000E-04    0.993215E+00
  56   -0.341449E-05    0.160616E+03  0.212588E-07 0.100000E-04    0.990173E+00
  57   -0.150722E-05    0.153743E+03  0.980349E-08 0.100000E-04    0.996845E+00
  58   -0.731634E-05    0.151052E+03  0.484358E-07 0.100000E-04    0.991484E+00
  59   -0.468364E-05    0.148560E+03  0.315269E-07 0.100000E-04    0.995619E+00
  60    0.760416E-05    0.142548E+03 -0.533446E-07 0.100000E-04    0.994476E+00
  61    0.577145E-05    0.136906E+03 -0.421564E-07 0.100000E-04    0.989622E+00
  62   -0.176791E-04    0.134688E+03  0.131260E-06 0.100000E-04    0.993093E+00
  63    0.113131E-04    0.131014E+03 -0.863503E-07 0.100000E-04    0.991272E+00
  64   -0.226720E-05    0.127691E+03  0.177554E-07 0.100000E-04    0.987546E+00
  65    0.151996E-05    0.125709E+03 -0.120911E-07 0.100000E-04    0.999837E+00
  66   -0.121999E-04    0.124550E+03  0.979520E-07 0.100000E-04    0.991380E+00
  67    0.926831E-06    0.119422E+03 -0.776095E-08 0.100000E-04    0.997488E+00
  68   -0.327233E-05    0.117960E+03  0.277410E-07 0.100000E-04    0.990417E+00
  69   -0.432223E-06    0.116378E+03  0.371394E-08 0.100000E-04    0.955217E+00
  70   -0.551402E-05    0.112663E+03  0.489426E-07 0.100000E-04    0.989053E+00
  71   -0.205122E-07    0.110216E+03  0.186110E-09 0.100000E-04    0.598452E+00
  72    0.149351E-04    0.105580E+03 -0.141457E-06 0.100000E-04    0.989183E+00
  73    0.524177E-05    0.102825E+03 -0.509775E-07 0.100000E-04    0.985768E+00
  74   -0.178517E-04    0.100524E+03  0.177587E-06 0.100000E-04    0.991782E+00
  75    0.109710E-04    0.972225E+02 -0.112844E-06 0.100000E-04    0.989327E+00
  76    0.143803E-04    0.950401E+02 -0.151307E-06 0.100000E-04    0.991415E+00
  77   -0.313667E-06    0.913322E+02  0.343435E-08 0.100000E-04    0.971726E+00
  78    0.264592E-04    0.905821E+02 -0.292102E-06 0.100000E-04    0.992004E+00
  79   -0.275742E-04    0.881261E+02  0.312894E-06 0.100000E-04    0.994537E+00
  80    0.643161E-05    0.844644E+02 -0.761458E-07 0.100000E-04    0.989624E+00
  81   -0.795707E-05    0.808873E+02  0.983722E-07 0.100000E-04    0.990404E+00
  82    0.137575E-04    0.790820E+02 -0.173965E-06 0.100000E-04    0.993665E+00
  83    0.800855E-05    0.787078E+02 -0.101750E-06 0.100000E-04    0.996501E+00
  84    0.971215E-05    0.730334E+02 -0.132982E-06 0.100000E-04    0.987556E+00
  85   -0.192176E-04    0.713244E+02  0.269440E-06 0.100000E-04    0.991342E+00
  86    0.246757E-04    0.694244E+02 -0.355433E-06 0.100000E-04    0.992846E+00
  87    0.583173E-05    0.676639E+02 -0.861867E-07 0.100000E-04    0.996803E+00
  88    0.277854E-06    0.635352E+02 -0.437322E-08 0.100000E-04    0.838001E+00
  89    0.216056E-04    0.622581E+02 -0.347032E-06 0.100000E-04    0.991457E+00
  90   -0.101063E-04    0.596603E+02  0.169398E-06 0.100000E-04    0.987939E+00
  91   -0.103501E-05    0.585647E+02  0.176730E-07 0.100000E-04    0.987463E+00
  92    0.230724E-04    0.558241E+02 -0.413306E-06 0.100000E-04    0.990730E+00
  93   -0.303602E-04    0.536469E+02  0.565926E-06 0.100000E-04    0.993529E+00
  94   -0.135958E-04    0.523105E+02  0.259906E-06 0.100000E-04    0.987160E+00
  95    0.289824E-04    0.503010E+02 -0.576178E-06 0.100000E-04    0.994551E+00
  96    0.798054E-05    0.480201E+02 -0.166192E-06 0.100000E-04    0.996967E+00
  97    0.172583E-04    0.436649E+02 -0.395243E-06 0.100000E-04    0.990721E+00
  98   -0.125044E-04    0.398050E+02  0.314141E-06 0.100000E-04    0.992920E+00
  99   -0.227862E-04    0.375166E+02  0.607364E-06 0.100000E-04    0.982340E+00
 100    0.286779E-04    0.361797E+02 -0.792653E-06 0.100000E-04    0.993857E+00
 101   -0.820657E-04    0.347392E+02  0.236233E-05 0.100000E-04    0.993026E+00
 102    0.337568E-04    0.295775E+02 -0.114130E-05 0.100000E-04    0.989808E+00
 103   -0.270166E-04    0.289891E+02  0.931958E-06 0.100000E-04    0.992467E+00
 104    0.359664E-04    0.287135E+02 -0.125260E-05 0.100000E-04    0.992824E+00
 105    0.160637E-04    0.234563E+02 -0.684834E-06 0.100000E-04    0.988855E+00
 106    0.362924E-05    0.218960E+02 -0.165749E-06 0.100000E-04    0.959109E+00
 107    0.820585E-04    0.195852E+02 -0.418981E-05 0.100000E-04    0.990914E+00
 108   -0.835987E-04    0.166193E+02  0.503021E-05 0.100000E-04    0.999543E+00
 109   -0.604021E-04    0.138722E+02  0.435417E-05 0.100000E-04    0.995303E+00
 110    0.454841E-04    0.126185E+02 -0.360457E-05 0.100000E-04    0.976073E+00
 111   -0.968075E-04    0.115630E+02  0.837221E-05 0.100000E-04    0.994225E+00
 112    0.244457E-04    0.940862E+01 -0.259822E-05 0.100000E-04    0.986198E+00
 113    0.299692E-02    0.758700E+01 -0.112503E-04 0.112503E-04    0.406538E-01
 114   -0.222437E+00    0.480661E+01 -0.400000E-03 0.400000E-03    0.122861E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4617871311E-01

 Beginning of optimization cycle   97.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3977866623
 potential> RMS force:                                               0.0210150079   |gradient|=.2243788834    
 Eigenvalues of the Hessian matrix:
   719.32107    670.55723    623.31079    603.31244    589.66893    564.00337 
   561.47232    478.07417    470.36968    463.41665    441.52575    431.74463 
   420.33549    405.65435    398.38653    388.36711    366.94860    363.99025 
   352.71556    343.67765    324.10799    323.04075    318.71303    316.62533 
   305.36011    287.32434    279.95279    271.55317    265.77464    262.09607 
   257.68368    253.39061    244.09118    239.50022    234.20919    228.48961 
   224.75151    212.77947    211.15165    209.86107    202.90254    198.58716 
   195.34180    191.63928    186.40548    178.21921    170.69710    168.12737 
   165.75283    160.61269    153.73747    151.05157    148.56679    142.55222 
   136.90631    134.69251    131.01330    127.69037    125.71220    124.55744 
   119.42256    117.95946    116.38230    112.65595    110.20810    105.57652 
   102.82524    100.51919     97.22181     95.04100     91.32587     90.58784 
    88.13757     84.46553     80.88705     79.08519     78.70617     73.03047 
    71.32744     69.41562     67.66742     63.53203     62.25276     59.66016 
    58.56780     55.82405     53.64510     52.30901     50.30128     48.01937 
    43.66038     39.80794     37.50883     36.18124     34.74603     29.56813 
    28.98784     28.71389     23.45100     21.89682     19.58499     16.62245 
    13.87056     12.61432     11.55393      9.41052      7.58782      4.80733 
overlap for current and previous eigenvector    109 is        -0.9999959214
overlap for current and previous eigenvector    110 is        -0.9999910488
overlap for current and previous eigenvector    111 is         0.9999879864
overlap for current and previous eigenvector    112 is         0.9999995852
overlap for current and previous eigenvector    113 is         0.9999992769
overlap for current and previous eigenvector    114 is         0.9999992831
J1,K1,R1,R2,RAT=   7   7    0.3785309283E-01     1.961981857        0.9619818572    
FOB,PFOB,DIAG,PSTEP=    0.1214817701E-06    0.1262615549E-06     719.3210746       -0.1755432726E-09
J1,K1,R1,R2,RAT=   8   8   -0.3212053842E-01     2.032066811        0.9678794616    
FOB,PFOB,DIAG,PSTEP=   -0.6868208581E-06   -0.6654458063E-06     670.5572314        0.9924040067E-09
J1,K1,R1,R2,RAT=   9   9   -0.1505732941E-01     2.014983967        0.9849426706    
FOB,PFOB,DIAG,PSTEP=    0.6249798562E-06    0.6157085891E-06     623.3107874       -0.9878397541E-09
J1,K1,R1,R2,RAT=  10  10   -0.9028989772E-04     2.000034279        0.9999097101    
FOB,PFOB,DIAG,PSTEP=    0.1325421361E-05    0.1325301696E-05     603.3124387       -0.2196770244E-08
J1,K1,R1,R2,RAT=  11  11   -0.3389166644E-03     2.000335438        0.9996610833    
FOB,PFOB,DIAG,PSTEP=   -0.9438039288E-06   -0.9434841658E-06     589.6689284        0.1600026322E-08
J1,K1,R1,R2,RAT= 109 109     2.005237919       -0.4995421828E-02    0.9950045782    
FOB,PFOB,DIAG,PSTEP=    0.6070379914E-04   -0.6040210175E-04     13.87056073        0.4354169967E-05
J1,K1,R1,R2,RAT= 110 110     2.016449979       -0.1579379092E-01    0.9842062091    
FOB,PFOB,DIAG,PSTEP=   -0.4620223528E-04    0.4548410446E-04     12.61431890       -0.3604569271E-05
J1,K1,R1,R2,RAT= 111 111   -0.8859083497E-02     2.010420571        0.9911409165    
FOB,PFOB,DIAG,PSTEP=   -0.9766449212E-04   -0.9680753515E-04     11.55393401        0.8372214359E-05
J1,K1,R1,R2,RAT= 112 112    0.4340794330E-02     1.995253880        0.9952538803    
FOB,PFOB,DIAG,PSTEP=    0.2433953033E-04    0.2444566544E-04     9.410522300       -0.2598221426E-05
J1,K1,R1,R2,RAT= 113 113   -0.8026432315         71.01689624        0.1973567685    
FOB,PFOB,DIAG,PSTEP=    0.3065442194E-02    0.2996924450E-02     7.587818906       -0.1125028575E-04
J1,K1,R1,R2,RAT= 114 114    0.9987563700        -232.3512086        0.1243629979E-02
FOB,PFOB,DIAG,PSTEP=   -0.2243578291       -0.2224372905         4.807325108       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00000      0.00001 
     0.00001     -0.00002      0.00001     -0.00000      0.00000     -0.00001 
     0.00000     -0.00000     -0.00000     -0.00001     -0.00000      0.00002 
    -0.00001      0.00002      0.00001     -0.00001      0.00000     -0.00003 
    -0.00003      0.00001     -0.00001      0.00001      0.00001     -0.00001 
    -0.00002     -0.00002     -0.00001      0.00000      0.00002     -0.00001 
    -0.00000      0.00002     -0.00003     -0.00001      0.00003      0.00001 
     0.00002     -0.00001     -0.00002      0.00003     -0.00008      0.00003 
    -0.00003      0.00004      0.00002      0.00000      0.00008     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00307     -0.22436 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4371157436
 Log product of positive Hessian eigenvalues =          520.4409326390
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8073251076
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000010
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000047
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000112
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000025
 Unscaled step for mode   17=       -0.0000000023
 Unscaled step for mode   18=       -0.0000000070
 Unscaled step for mode   19=       -0.0000000145
 Unscaled step for mode   20=       -0.0000000186
 Unscaled step for mode   21=       -0.0000000106
 Unscaled step for mode   22=        0.0000000010
 Unscaled step for mode   23=        0.0000000054
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000209
 Unscaled step for mode   26=        0.0000000321
 Unscaled step for mode   27=        0.0000000187
 Unscaled step for mode   28=        0.0000000166
 Unscaled step for mode   29=        0.0000000208
 Unscaled step for mode   30=        0.0000000156
 Unscaled step for mode   31=        0.0000000055
 Unscaled step for mode   32=        0.0000000004
 Unscaled step for mode   33=       -0.0000000136
 Unscaled step for mode   34=       -0.0000000063
 Unscaled step for mode   35=       -0.0000000419
 Unscaled step for mode   36=       -0.0000000069
 Unscaled step for mode   37=        0.0000000186
 Unscaled step for mode   38=        0.0000000104
 Unscaled step for mode   39=        0.0000000335
 Unscaled step for mode   40=       -0.0000000145
 Unscaled step for mode   41=       -0.0000000189
 Unscaled step for mode   42=        0.0000000090
 Unscaled step for mode   43=       -0.0000000076
 Unscaled step for mode   44=        0.0000000083
 Unscaled step for mode   45=       -0.0000000162
 Unscaled step for mode   46=       -0.0000000211
 Unscaled step for mode   47=        0.0000000574
 Unscaled step for mode   48=        0.0000000051
 Unscaled step for mode   49=       -0.0000000315
 Unscaled step for mode   50=        0.0000000252
 Unscaled step for mode   51=        0.0000000245
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000288
 Unscaled step for mode   54=       -0.0000000128
 Unscaled step for mode   55=        0.0000000566
 Unscaled step for mode   56=        0.0000000214
 Unscaled step for mode   57=        0.0000000099
 Unscaled step for mode   58=        0.0000000488
 Unscaled step for mode   59=        0.0000000319
 Unscaled step for mode   60=       -0.0000000539
 Unscaled step for mode   61=       -0.0000000425
 Unscaled step for mode   62=        0.0000001321
 Unscaled step for mode   63=       -0.0000000869
 Unscaled step for mode   64=        0.0000000180
 Unscaled step for mode   65=       -0.0000000119
 Unscaled step for mode   66=        0.0000000987
 Unscaled step for mode   67=       -0.0000000079
 Unscaled step for mode   68=        0.0000000280
 Unscaled step for mode   69=        0.0000000036
 Unscaled step for mode   70=        0.0000000497
 Unscaled step for mode   71=        0.0000000001
 Unscaled step for mode   72=       -0.0000001426
 Unscaled step for mode   73=        0.0000000518
 Unscaled step for mode   74=       -0.0000001788
 Unscaled step for mode   75=       -0.0000001144
 Unscaled step for mode   76=        0.0000001527
 Unscaled step for mode   77=       -0.0000000037
 Unscaled step for mode   78=        0.0000002951
 Unscaled step for mode   79=        0.0000003144
 Unscaled step for mode   80=       -0.0000000770
 Unscaled step for mode   81=        0.0000000992
 Unscaled step for mode   82=       -0.0000001747
 Unscaled step for mode   83=       -0.0000001019
 Unscaled step for mode   84=        0.0000001342
 Unscaled step for mode   85=        0.0000002712
 Unscaled step for mode   86=        0.0000003580
 Unscaled step for mode   87=        0.0000000853
 Unscaled step for mode   88=       -0.0000000042
 Unscaled step for mode   89=       -0.0000003496
 Unscaled step for mode   90=        0.0000001704
 Unscaled step for mode   91=        0.0000000174
 Unscaled step for mode   92=       -0.0000004179
 Unscaled step for mode   93=        0.0000005685
 Unscaled step for mode   94=        0.0000002621
 Unscaled step for mode   95=       -0.0000005785
 Unscaled step for mode   96=       -0.0000001673
 Unscaled step for mode   97=       -0.0000003980
 Unscaled step for mode   98=        0.0000003164
 Unscaled step for mode   99=        0.0000006147
 Unscaled step for mode  100=       -0.0000007957
 Unscaled step for mode  101=        0.0000023782
 Unscaled step for mode  102=       -0.0000011471
 Unscaled step for mode  103=        0.0000009377
 Unscaled step for mode  104=       -0.0000012567
 Unscaled step for mode  105=       -0.0000006949
 Unscaled step for mode  106=       -0.0000001577
 Unscaled step for mode  107=       -0.0000042172
 Unscaled step for mode  108=        0.0000050361
 Unscaled step for mode  109=       -0.0000043764
 Unscaled step for mode  110=        0.0000036627
 Unscaled step for mode  111=        0.0000084529
 Unscaled step for mode  112=       -0.0000025864
 Unscaled step for mode  113=       -0.0004039951
 Unscaled step for mode  114=       -0.0465687820
 Largest modulus ratio of non-zero e/values=           149.6302119    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.563785E-16    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.849906E-15    0.100768E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.816187E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.743214E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.569680E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.222505E-15    0.973513E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.121482E-06    0.719321E+03 -0.168884E-09 0.100000E-04    0.961982E+00
   8   -0.686821E-06    0.670557E+03  0.102425E-08 0.100000E-04    0.967879E+00
   9    0.624980E-06    0.623311E+03 -0.100268E-08 0.100000E-04    0.984943E+00
  10    0.132542E-05    0.603312E+03 -0.219691E-08 0.100000E-04    0.999910E+00
  11   -0.943804E-06    0.589669E+03  0.160057E-08 0.100000E-04    0.999661E+00
  12    0.266836E-05    0.564003E+03 -0.473111E-08 0.100000E-04    0.993985E+00
  13    0.195575E-05    0.561472E+03 -0.348326E-08 0.100000E-04    0.992292E+00
  14   -0.536293E-05    0.478074E+03  0.112178E-07 0.100000E-04    0.997757E+00
  15    0.162580E-05    0.470370E+03 -0.345643E-08 0.100000E-04    0.993507E+00
  16    0.113806E-05    0.463417E+03 -0.245581E-08 0.100000E-04    0.991616E+00
  17    0.101988E-05    0.441526E+03 -0.230991E-08 0.100000E-04    0.994071E+00
  18    0.301158E-05    0.431745E+03 -0.697537E-08 0.100000E-04    0.993580E+00
  19    0.607643E-05    0.420335E+03 -0.144562E-07 0.100000E-04    0.993090E+00
  20    0.756279E-05    0.405654E+03 -0.186434E-07 0.100000E-04    0.997026E+00
  21    0.422588E-05    0.398387E+03 -0.106075E-07 0.100000E-04    0.993516E+00
  22   -0.382018E-06    0.388367E+03  0.983652E-09 0.100000E-04    0.964249E+00
  23   -0.196332E-05    0.366949E+03  0.535038E-08 0.100000E-04    0.998372E+00
  24    0.187901E-05    0.363990E+03 -0.516226E-08 0.100000E-04    0.998485E+00
  25   -0.735770E-05    0.352716E+03  0.208601E-07 0.100000E-04    0.992374E+00
  26   -0.110164E-04    0.343678E+03  0.320543E-07 0.100000E-04    0.991464E+00
  27   -0.605070E-05    0.324108E+03  0.186688E-07 0.100000E-04    0.993284E+00
  28   -0.534659E-05    0.323041E+03  0.165508E-07 0.100000E-04    0.998523E+00
  29   -0.662078E-05    0.318713E+03  0.207735E-07 0.100000E-04    0.987593E+00
  30   -0.492981E-05    0.316625E+03  0.155698E-07 0.100000E-04    0.987322E+00
  31   -0.166705E-05    0.305360E+03  0.545928E-08 0.100000E-04    0.979772E+00
  32   -0.116378E-06    0.287324E+03  0.405039E-09 0.100000E-04    0.893304E+00
  33    0.380306E-05    0.279953E+03 -0.135847E-07 0.100000E-04    0.992895E+00
  34    0.170624E-05    0.271553E+03 -0.628326E-08 0.100000E-04    0.994997E+00
  35    0.111439E-04    0.265775E+03 -0.419297E-07 0.100000E-04    0.991496E+00
  36    0.181144E-05    0.262096E+03 -0.691137E-08 0.100000E-04    0.986614E+00
  37   -0.479993E-05    0.257684E+03  0.186272E-07 0.100000E-04    0.990407E+00
  38   -0.264216E-05    0.253391E+03  0.104272E-07 0.100000E-04    0.991273E+00
  39   -0.816580E-05    0.244091E+03  0.334539E-07 0.100000E-04    0.992398E+00
  40    0.348240E-05    0.239500E+03 -0.145403E-07 0.100000E-04    0.981345E+00
  41    0.443188E-05    0.234209E+03 -0.189227E-07 0.100000E-04    0.985231E+00
  42   -0.205122E-05    0.228490E+03  0.897730E-08 0.100000E-04    0.986544E+00
  43    0.169994E-05    0.224752E+03 -0.756366E-08 0.100000E-04    0.984296E+00
  44   -0.176016E-05    0.212779E+03  0.827222E-08 0.100000E-04    0.959442E+00
  45    0.341920E-05    0.211152E+03 -0.161931E-07 0.100000E-04    0.995679E+00
  46    0.443088E-05    0.209861E+03 -0.211134E-07 0.100000E-04    0.982327E+00
  47   -0.116407E-04    0.202903E+03  0.573711E-07 0.100000E-04    0.989954E+00
  48   -0.100757E-05    0.198587E+03  0.507367E-08 0.100000E-04    0.990813E+00
  49    0.615973E-05    0.195342E+03 -0.315331E-07 0.100000E-04    0.988432E+00
  50   -0.482246E-05    0.191639E+03  0.251642E-07 0.100000E-04    0.994856E+00
  51   -0.456064E-05    0.186405E+03  0.244662E-07 0.100000E-04    0.989678E+00
  52    0.441492E-06    0.178219E+03 -0.247724E-08 0.100000E-04    0.995625E+00
  53   -0.491412E-05    0.170697E+03  0.287885E-07 0.100000E-04    0.991618E+00
  54    0.215138E-05    0.168127E+03 -0.127961E-07 0.100000E-04    0.981429E+00
  55   -0.938555E-05    0.165753E+03  0.566238E-07 0.100000E-04    0.991952E+00
  56   -0.342982E-05    0.160613E+03  0.213546E-07 0.100000E-04    0.995510E+00
  57   -0.152528E-05    0.153737E+03  0.992132E-08 0.100000E-04    0.988017E+00
  58   -0.736714E-05    0.151052E+03  0.487723E-07 0.100000E-04    0.993057E+00
  59   -0.473495E-05    0.148567E+03  0.318709E-07 0.100000E-04    0.989044E+00
  60    0.768898E-05    0.142552E+03 -0.539380E-07 0.100000E-04    0.988846E+00
  61    0.581581E-05    0.136906E+03 -0.424802E-07 0.100000E-04    0.992315E+00
  62   -0.177947E-04    0.134693E+03  0.132114E-06 0.100000E-04    0.993463E+00
  63    0.113811E-04    0.131013E+03 -0.868702E-07 0.100000E-04    0.993986E+00
  64   -0.230253E-05    0.127690E+03  0.180321E-07 0.100000E-04    0.984420E+00
  65    0.150096E-05    0.125712E+03 -0.119396E-07 0.100000E-04    0.987443E+00
  66   -0.122899E-04    0.124557E+03  0.986687E-07 0.100000E-04    0.992624E+00
  67    0.940612E-06    0.119423E+03 -0.787634E-08 0.100000E-04    0.985131E+00
  68   -0.330093E-05    0.117959E+03  0.279836E-07 0.100000E-04    0.991261E+00
  69   -0.419723E-06    0.116382E+03  0.360642E-08 0.100000E-04    0.971014E+00
  70   -0.559745E-05    0.112656E+03  0.496862E-07 0.100000E-04    0.984868E+00
  71   -0.151251E-07    0.110208E+03  0.137241E-09 0.100000E-04    0.737350E+00
  72    0.150529E-04    0.105577E+03 -0.142578E-06 0.100000E-04    0.992113E+00
  73   -0.532343E-05    0.102825E+03  0.517716E-07 0.100000E-04    0.984423E+00
  74    0.179697E-04    0.100519E+03 -0.178769E-06 0.100000E-04    0.993386E+00
  75    0.111190E-04    0.972218E+02 -0.114368E-06 0.100000E-04    0.986504E+00
  76   -0.145083E-04    0.950410E+02  0.152653E-06 0.100000E-04    0.991096E+00
  77    0.341396E-06    0.913259E+02 -0.373822E-08 0.100000E-04    0.911589E+00
  78   -0.267346E-04    0.905878E+02  0.295124E-06 0.100000E-04    0.989590E+00
  79   -0.277088E-04    0.881376E+02  0.314381E-06 0.100000E-04    0.995118E+00
  80    0.650637E-05    0.844655E+02 -0.770299E-07 0.100000E-04    0.988375E+00
  81   -0.802165E-05    0.808870E+02  0.991710E-07 0.100000E-04    0.991883E+00
  82    0.138194E-04    0.790852E+02 -0.174741E-06 0.100000E-04    0.995498E+00
  83    0.802259E-05    0.787062E+02 -0.101931E-06 0.100000E-04    0.998247E+00
  84   -0.979780E-05    0.730305E+02  0.134160E-06 0.100000E-04    0.991181E+00
  85   -0.193409E-04    0.713274E+02  0.271157E-06 0.100000E-04    0.993583E+00
  86   -0.248492E-04    0.694156E+02  0.357977E-06 0.100000E-04    0.992966E+00
  87   -0.577472E-05    0.676674E+02  0.853397E-07 0.100000E-04    0.990120E+00
  88    0.266052E-06    0.635320E+02 -0.418769E-08 0.100000E-04    0.957525E+00
  89    0.217627E-04    0.622528E+02 -0.349587E-06 0.100000E-04    0.992726E+00
  90   -0.101669E-04    0.596602E+02  0.170414E-06 0.100000E-04    0.994002E+00
  91   -0.101746E-05    0.585678E+02  0.173724E-07 0.100000E-04    0.982937E+00
  92    0.233304E-04    0.558240E+02 -0.417928E-06 0.100000E-04    0.988819E+00
  93   -0.304979E-04    0.536451E+02  0.568512E-06 0.100000E-04    0.995465E+00
  94   -0.137100E-04    0.523090E+02  0.262097E-06 0.100000E-04    0.991598E+00
  95    0.291002E-04    0.503013E+02 -0.578518E-06 0.100000E-04    0.995935E+00
  96    0.803550E-05    0.480194E+02 -0.167339E-06 0.100000E-04    0.993112E+00
  97    0.173778E-04    0.436604E+02 -0.398023E-06 0.100000E-04    0.993071E+00
  98   -0.125944E-04    0.398079E+02  0.316379E-06 0.100000E-04    0.992802E+00
  99   -0.230570E-04    0.375088E+02  0.614709E-06 0.100000E-04    0.988114E+00
 100    0.287909E-04    0.361812E+02 -0.795742E-06 0.100000E-04    0.996059E+00
 101   -0.826325E-04    0.347460E+02  0.237819E-05 0.100000E-04    0.993094E+00
 102    0.339190E-04    0.295681E+02 -0.114715E-05 0.100000E-04    0.995193E+00
 103   -0.271811E-04    0.289878E+02  0.937673E-06 0.100000E-04    0.993911E+00
 104    0.360849E-04    0.287139E+02 -0.125670E-05 0.100000E-04    0.996705E+00
 105    0.162967E-04    0.234510E+02 -0.694927E-06 0.100000E-04    0.985489E+00
 106    0.345373E-05    0.218968E+02 -0.157728E-06 0.100000E-04    0.951564E+00
 107    0.825940E-04    0.195850E+02 -0.421721E-05 0.100000E-04    0.993474E+00
 108   -0.837123E-04    0.166225E+02  0.503610E-05 0.100000E-04    0.998641E+00
 109    0.607038E-04    0.138706E+02 -0.437645E-05 0.100000E-04    0.995005E+00
 110   -0.462022E-04    0.126143E+02  0.366268E-05 0.100000E-04    0.984206E+00
 111   -0.976645E-04    0.115539E+02  0.845292E-05 0.100000E-04    0.991141E+00
 112    0.243395E-04    0.941052E+01 -0.258642E-05 0.100000E-04    0.995254E+00
 113    0.306544E-02    0.758782E+01 -0.122628E-04 0.122628E-04    0.197357E+00
 114   -0.224358E+00    0.480733E+01 -0.400000E-03 0.400000E-03    0.124363E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4656878204E-01

 Beginning of optimization cycle   98.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3976965729
 potential> RMS force:                                               0.0211949679   |gradient|=.2263003303    
 Eigenvalues of the Hessian matrix:
   719.38039    670.57513    623.33351    603.32931    589.66977    564.02499 
   561.51076    478.08983    470.34734    463.40500    441.52277    431.73405 
   420.34332    405.66518    398.38295    388.37187    366.94976    363.97975 
   352.70573    343.63750    324.11345    323.01643    318.70394    316.64310 
   305.35828    287.32616    279.94914    271.54629    265.77386    262.10363 
   257.68584    253.39178    244.07689    239.48913    234.21965    228.49240 
   224.73302    212.77534    211.15468    209.85264    202.90476    198.58230 
   195.34484    191.63834    186.40037    178.20437    170.69858    168.12618 
   165.75155    160.60957    153.73211    151.05093    148.57364    142.55654 
   136.90689    134.69705    131.01249    127.68972    125.71572    124.56482 
   119.42273    117.95875    116.38620    112.64886    110.20035    105.57258 
   102.82528    100.51485     97.22102     95.04187     91.31951     90.59363 
    88.14910     84.46668     80.88677     79.08837     78.70455     73.02758 
    71.33049     69.40685     67.67087     63.52890     62.24727     59.66007 
    58.57090     55.82398     53.64324     52.30753     50.30151     48.01865 
    43.65582     39.81086     37.50106     36.18271     34.75283     29.55879 
    28.98660     28.71433     23.44572     21.89768     19.58477     16.62553 
    13.86889     12.61022     11.54483      9.41243      7.58860      4.80800 
overlap for current and previous eigenvector    109 is         0.9999959729
overlap for current and previous eigenvector    110 is         0.9999911498
overlap for current and previous eigenvector    111 is         0.9999880700
overlap for current and previous eigenvector    112 is         0.9999995822
overlap for current and previous eigenvector    113 is         0.9999992767
overlap for current and previous eigenvector    114 is         0.9999992873
J1,K1,R1,R2,RAT=   7   7    0.3897600420E-01     1.960859085        0.9608590853    
FOB,PFOB,DIAG,PSTEP=    0.1167465056E-06    0.1214817701E-06     719.3803913       -0.1688839301E-09
J1,K1,R1,R2,RAT=   8   8   -0.3239925484E-01     2.032345885        0.9676007452    
FOB,PFOB,DIAG,PSTEP=   -0.7090739359E-06   -0.6868208581E-06     670.5751256        0.1024253898E-08
J1,K1,R1,R2,RAT=   9   9   -0.1545134229E-01     2.015378428        0.9845486577    
FOB,PFOB,DIAG,PSTEP=    0.6346369860E-06    0.6249798562E-06     623.3335122       -0.1002677747E-08
J1,K1,R1,R2,RAT=  10  10    0.2032565960E-03     1.999740815        0.9997408146    
FOB,PFOB,DIAG,PSTEP=    0.1325151953E-05    0.1325421361E-05     603.3293104       -0.2196907068E-08
J1,K1,R1,R2,RAT=  11  11    0.1170249228E-03     1.999880116        0.9998801165    
FOB,PFOB,DIAG,PSTEP=   -0.9436934801E-06   -0.9438039288E-06     589.6697712        0.1600565815E-08
J1,K1,R1,R2,RAT= 109 109   -0.5205587561E-02     2.005446247        0.9947944124    
FOB,PFOB,DIAG,PSTEP=    0.6101976007E-04    0.6070379914E-04     13.86889189       -0.4376448820E-05
J1,K1,R1,R2,RAT= 110 110   -0.1464190181E-01     2.015291729        0.9853580982    
FOB,PFOB,DIAG,PSTEP=   -0.4687850414E-04   -0.4620223528E-04     12.61022167        0.3662681722E-05
J1,K1,R1,R2,RAT= 111 111   -0.9331577798E-02     2.010909190        0.9906684222    
FOB,PFOB,DIAG,PSTEP=   -0.9857513761E-04   -0.9766449212E-04     11.54482738        0.8452921059E-05
J1,K1,R1,R2,RAT= 112 112    0.3861510410E-02     1.995732695        0.9957326949    
FOB,PFOB,DIAG,PSTEP=    0.2424552391E-04    0.2433953033E-04     9.412432058       -0.2586416519E-05
J1,K1,R1,R2,RAT= 113 113   -0.6588954375         66.54156540        0.3411045625    
FOB,PFOB,DIAG,PSTEP=    0.3126757435E-02    0.3065442194E-02     7.588603892       -0.1226281147E-04
J1,K1,R1,R2,RAT= 114 114    0.9987437768        -234.3157995        0.1256223152E-02
FOB,PFOB,DIAG,PSTEP=   -0.2262786144       -0.2243578291         4.808003179       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00000      0.00001 
    -0.00001      0.00002     -0.00001     -0.00000      0.00000     -0.00001 
     0.00000      0.00000     -0.00000      0.00001      0.00000      0.00002 
    -0.00001      0.00002      0.00001     -0.00001      0.00000     -0.00003 
    -0.00003      0.00001      0.00001      0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000      0.00002     -0.00001 
    -0.00000      0.00002      0.00003     -0.00001     -0.00003      0.00001 
     0.00002      0.00001      0.00002      0.00003     -0.00008      0.00003 
    -0.00003      0.00004      0.00002      0.00000      0.00008     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00313     -0.22628 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4371658910
 Log product of positive Hessian eigenvalues =          520.4394225187
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8080031788
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000011
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000048
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000112
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000025
 Unscaled step for mode   17=       -0.0000000023
 Unscaled step for mode   18=       -0.0000000070
 Unscaled step for mode   19=       -0.0000000146
 Unscaled step for mode   20=       -0.0000000187
 Unscaled step for mode   21=       -0.0000000107
 Unscaled step for mode   22=        0.0000000009
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000210
 Unscaled step for mode   26=        0.0000000323
 Unscaled step for mode   27=        0.0000000188
 Unscaled step for mode   28=        0.0000000166
 Unscaled step for mode   29=        0.0000000210
 Unscaled step for mode   30=        0.0000000158
 Unscaled step for mode   31=        0.0000000056
 Unscaled step for mode   32=        0.0000000004
 Unscaled step for mode   33=       -0.0000000137
 Unscaled step for mode   34=       -0.0000000063
 Unscaled step for mode   35=       -0.0000000423
 Unscaled step for mode   36=       -0.0000000070
 Unscaled step for mode   37=        0.0000000188
 Unscaled step for mode   38=        0.0000000105
 Unscaled step for mode   39=        0.0000000337
 Unscaled step for mode   40=       -0.0000000148
 Unscaled step for mode   41=       -0.0000000192
 Unscaled step for mode   42=        0.0000000091
 Unscaled step for mode   43=       -0.0000000077
 Unscaled step for mode   44=        0.0000000086
 Unscaled step for mode   45=       -0.0000000163
 Unscaled step for mode   46=       -0.0000000215
 Unscaled step for mode   47=        0.0000000580
 Unscaled step for mode   48=        0.0000000050
 Unscaled step for mode   49=       -0.0000000319
 Unscaled step for mode   50=        0.0000000253
 Unscaled step for mode   51=        0.0000000247
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000290
 Unscaled step for mode   54=       -0.0000000130
 Unscaled step for mode   55=        0.0000000571
 Unscaled step for mode   56=        0.0000000214
 Unscaled step for mode   57=        0.0000000100
 Unscaled step for mode   58=        0.0000000491
 Unscaled step for mode   59=        0.0000000322
 Unscaled step for mode   60=       -0.0000000545
 Unscaled step for mode   61=        0.0000000428
 Unscaled step for mode   62=       -0.0000001330
 Unscaled step for mode   63=        0.0000000874
 Unscaled step for mode   64=        0.0000000183
 Unscaled step for mode   65=       -0.0000000118
 Unscaled step for mode   66=        0.0000000994
 Unscaled step for mode   67=       -0.0000000080
 Unscaled step for mode   68=       -0.0000000282
 Unscaled step for mode   69=        0.0000000035
 Unscaled step for mode   70=       -0.0000000505
 Unscaled step for mode   71=       -0.0000000001
 Unscaled step for mode   72=       -0.0000001437
 Unscaled step for mode   73=        0.0000000526
 Unscaled step for mode   74=       -0.0000001799
 Unscaled step for mode   75=       -0.0000001159
 Unscaled step for mode   76=        0.0000001540
 Unscaled step for mode   77=       -0.0000000041
 Unscaled step for mode   78=        0.0000002982
 Unscaled step for mode   79=        0.0000003158
 Unscaled step for mode   80=       -0.0000000779
 Unscaled step for mode   81=       -0.0000001000
 Unscaled step for mode   82=       -0.0000001755
 Unscaled step for mode   83=       -0.0000001021
 Unscaled step for mode   84=        0.0000001353
 Unscaled step for mode   85=        0.0000002728
 Unscaled step for mode   86=        0.0000003605
 Unscaled step for mode   87=        0.0000000845
 Unscaled step for mode   88=       -0.0000000040
 Unscaled step for mode   89=       -0.0000003521
 Unscaled step for mode   90=        0.0000001714
 Unscaled step for mode   91=        0.0000000171
 Unscaled step for mode   92=       -0.0000004226
 Unscaled step for mode   93=       -0.0000005710
 Unscaled step for mode   94=        0.0000002643
 Unscaled step for mode   95=        0.0000005808
 Unscaled step for mode   96=       -0.0000001685
 Unscaled step for mode   97=       -0.0000004007
 Unscaled step for mode   98=       -0.0000003186
 Unscaled step for mode   99=       -0.0000006219
 Unscaled step for mode  100=       -0.0000007988
 Unscaled step for mode  101=        0.0000023938
 Unscaled step for mode  102=       -0.0000011529
 Unscaled step for mode  103=        0.0000009432
 Unscaled step for mode  104=       -0.0000012605
 Unscaled step for mode  105=       -0.0000007047
 Unscaled step for mode  106=       -0.0000001491
 Unscaled step for mode  107=       -0.0000042432
 Unscaled step for mode  108=        0.0000050424
 Unscaled step for mode  109=       -0.0000043998
 Unscaled step for mode  110=        0.0000037175
 Unscaled step for mode  111=        0.0000085385
 Unscaled step for mode  112=       -0.0000025759
 Unscaled step for mode  113=       -0.0004120332
 Unscaled step for mode  114=       -0.0469591274
 Largest modulus ratio of non-zero e/values=           149.6214467    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.108203E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.293819E-16    0.100768E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.452329E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.185135E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.805562E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.149322E-15    0.973514E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.116747E-06    0.719380E+03 -0.162288E-09 0.100000E-04    0.960859E+00
   8   -0.709074E-06    0.670575E+03  0.105741E-08 0.100000E-04    0.967601E+00
   9    0.634637E-06    0.623334E+03 -0.101813E-08 0.100000E-04    0.984549E+00
  10    0.132515E-05    0.603329E+03 -0.219640E-08 0.100000E-04    0.999741E+00
  11   -0.943693E-06    0.589670E+03  0.160038E-08 0.100000E-04    0.999880E+00
  12    0.268447E-05    0.564025E+03 -0.475949E-08 0.100000E-04    0.993963E+00
  13    0.193985E-05    0.561511E+03 -0.345470E-08 0.100000E-04    0.991732E+00
  14   -0.537465E-05    0.478090E+03  0.112419E-07 0.100000E-04    0.997813E+00
  15    0.163682E-05    0.470347E+03 -0.348002E-08 0.100000E-04    0.993222E+00
  16    0.114753E-05    0.463405E+03 -0.247630E-08 0.100000E-04    0.991684E+00
  17    0.102536E-05    0.441523E+03 -0.232233E-08 0.100000E-04    0.994628E+00
  18    0.303048E-05    0.431734E+03 -0.701932E-08 0.100000E-04    0.993724E+00
  19    0.611786E-05    0.420343E+03 -0.145544E-07 0.100000E-04    0.993182E+00
  20    0.758395E-05    0.405665E+03 -0.186951E-07 0.100000E-04    0.997202E+00
  21    0.425233E-05    0.398383E+03 -0.106740E-07 0.100000E-04    0.993741E+00
  22   -0.367406E-06    0.388372E+03  0.946016E-09 0.100000E-04    0.961727E+00
  23   -0.195960E-05    0.366950E+03  0.534024E-08 0.100000E-04    0.998101E+00
  24    0.188121E-05    0.363980E+03 -0.516845E-08 0.100000E-04    0.998830E+00
  25   -0.741368E-05    0.352706E+03  0.210195E-07 0.100000E-04    0.992390E+00
  26   -0.111094E-04    0.343637E+03  0.323289E-07 0.100000E-04    0.991551E+00
  27   -0.609166E-05    0.324113E+03  0.187949E-07 0.100000E-04    0.993230E+00
  28   -0.535397E-05    0.323016E+03  0.165749E-07 0.100000E-04    0.998619E+00
  29   -0.670267E-05    0.318704E+03  0.210310E-07 0.100000E-04    0.987631E+00
  30   -0.499306E-05    0.316643E+03  0.157687E-07 0.100000E-04    0.987171E+00
  31   -0.170090E-05    0.305358E+03  0.557017E-08 0.100000E-04    0.979694E+00
  32   -0.127530E-06    0.287326E+03  0.443851E-09 0.100000E-04    0.904171E+00
  33    0.382961E-05    0.279949E+03 -0.136797E-07 0.100000E-04    0.993019E+00
  34    0.171373E-05    0.271546E+03 -0.631102E-08 0.100000E-04    0.995607E+00
  35    0.112396E-04    0.265774E+03 -0.422902E-07 0.100000E-04    0.991406E+00
  36    0.183558E-05    0.262104E+03 -0.700325E-08 0.100000E-04    0.986677E+00
  37   -0.484577E-05    0.257686E+03  0.188049E-07 0.100000E-04    0.990451E+00
  38   -0.266555E-05    0.253392E+03  0.105195E-07 0.100000E-04    0.991148E+00
  39   -0.822675E-05    0.244077E+03  0.337056E-07 0.100000E-04    0.992535E+00
  40    0.354777E-05    0.239489E+03 -0.148139E-07 0.100000E-04    0.981227E+00
  41    0.449785E-05    0.234220E+03 -0.192036E-07 0.100000E-04    0.985115E+00
  42   -0.208000E-05    0.228492E+03  0.910315E-08 0.100000E-04    0.985969E+00
  43    0.172706E-05    0.224733E+03 -0.768494E-08 0.100000E-04    0.984047E+00
  44   -0.183246E-05    0.212775E+03  0.861220E-08 0.100000E-04    0.958921E+00
  45    0.343395E-05    0.211155E+03 -0.162627E-07 0.100000E-04    0.995684E+00
  46    0.450955E-05    0.209853E+03 -0.214891E-07 0.100000E-04    0.982244E+00
  47   -0.117584E-04    0.202905E+03  0.579503E-07 0.100000E-04    0.989893E+00
  48   -0.998036E-06    0.198582E+03  0.502581E-08 0.100000E-04    0.990542E+00
  49    0.623122E-05    0.195345E+03 -0.318985E-07 0.100000E-04    0.988395E+00
  50   -0.484470E-05    0.191638E+03  0.252804E-07 0.100000E-04    0.995388E+00
  51   -0.460781E-05    0.186400E+03  0.247199E-07 0.100000E-04    0.989657E+00
  52    0.438722E-06    0.178204E+03 -0.246190E-08 0.100000E-04    0.993725E+00
  53   -0.495498E-05    0.170699E+03  0.290277E-07 0.100000E-04    0.991685E+00
  54    0.219162E-05    0.168126E+03 -0.130356E-07 0.100000E-04    0.981295E+00
  55   -0.946168E-05    0.165752E+03  0.570835E-07 0.100000E-04    0.991889E+00
  56   -0.344478E-05    0.160610E+03  0.214481E-07 0.100000E-04    0.995640E+00
  57   -0.154321E-05    0.153732E+03  0.100383E-07 0.100000E-04    0.988242E+00
  58   -0.741792E-05    0.151051E+03  0.491087E-07 0.100000E-04    0.993107E+00
  59   -0.478696E-05    0.148574E+03  0.322194E-07 0.100000E-04    0.989017E+00
  60    0.777497E-05    0.142557E+03 -0.545396E-07 0.100000E-04    0.988816E+00
  61   -0.585914E-05    0.136907E+03  0.427966E-07 0.100000E-04    0.992549E+00
  62    0.179095E-04    0.134697E+03 -0.132961E-06 0.100000E-04    0.993550E+00
  63   -0.114471E-04    0.131012E+03  0.873741E-07 0.100000E-04    0.994206E+00
  64   -0.233739E-05    0.127690E+03  0.183052E-07 0.100000E-04    0.984857E+00
  65    0.148079E-05    0.125716E+03 -0.117789E-07 0.100000E-04    0.986506E+00
  66   -0.123793E-04    0.124565E+03  0.993801E-07 0.100000E-04    0.992730E+00
  67    0.956076E-06    0.119423E+03 -0.800581E-08 0.100000E-04    0.983561E+00
  68    0.332940E-05    0.117959E+03 -0.282251E-07 0.100000E-04    0.991377E+00
  69   -0.407925E-06    0.116386E+03  0.350493E-08 0.100000E-04    0.971825E+00
  70    0.568336E-05    0.112649E+03 -0.504520E-07 0.100000E-04    0.984650E+00
  71    0.965754E-08    0.110200E+03 -0.876362E-10 0.100000E-04    0.638487E+00
  72    0.151689E-04    0.105573E+03 -0.143682E-06 0.100000E-04    0.992294E+00
  73   -0.540618E-05    0.102825E+03  0.525764E-07 0.100000E-04    0.984454E+00
  74    0.180860E-04    0.100515E+03 -0.179934E-06 0.100000E-04    0.993528E+00
  75    0.112694E-04    0.972210E+02 -0.115915E-06 0.100000E-04    0.986480E+00
  76   -0.146372E-04    0.950419E+02  0.154008E-06 0.100000E-04    0.991115E+00
  77    0.371578E-06    0.913195E+02 -0.406899E-08 0.100000E-04    0.911586E+00
  78   -0.270123E-04    0.905936E+02  0.298169E-06 0.100000E-04    0.989616E+00
  79   -0.278413E-04    0.881491E+02  0.315843E-06 0.100000E-04    0.995219E+00
  80    0.658103E-05    0.844667E+02 -0.779127E-07 0.100000E-04    0.988526E+00
  81    0.808609E-05    0.808868E+02 -0.999680E-07 0.100000E-04    0.991967E+00
  82    0.138788E-04    0.790884E+02 -0.175484E-06 0.100000E-04    0.995708E+00
  83    0.803913E-05    0.787045E+02 -0.102143E-06 0.100000E-04    0.997938E+00
  84   -0.988175E-05    0.730276E+02  0.135315E-06 0.100000E-04    0.991432E+00
  85   -0.194613E-04    0.713305E+02  0.272833E-06 0.100000E-04    0.993777E+00
  86   -0.250202E-04    0.694068E+02  0.360486E-06 0.100000E-04    0.993119E+00
  87   -0.571593E-05    0.676709E+02  0.844667E-07 0.100000E-04    0.989719E+00
  88    0.255743E-06    0.635289E+02 -0.402561E-08 0.100000E-04    0.961247E+00
  89    0.219154E-04    0.622473E+02 -0.352070E-06 0.100000E-04    0.992985E+00
  90   -0.102236E-04    0.596601E+02  0.171364E-06 0.100000E-04    0.994427E+00
  91   -0.999936E-06    0.585709E+02  0.170722E-07 0.100000E-04    0.982670E+00
  92    0.235901E-04    0.558240E+02 -0.422580E-06 0.100000E-04    0.988868E+00
  93    0.306317E-04    0.536432E+02 -0.571027E-06 0.100000E-04    0.995611E+00
  94   -0.138230E-04    0.523075E+02  0.264265E-06 0.100000E-04    0.991758E+00
  95   -0.292162E-04    0.503015E+02  0.580821E-06 0.100000E-04    0.996015E+00
  96    0.809184E-05    0.480186E+02 -0.168515E-06 0.100000E-04    0.992989E+00
  97    0.174917E-04    0.436558E+02 -0.400672E-06 0.100000E-04    0.993450E+00
  98    0.126847E-04    0.398109E+02 -0.318624E-06 0.100000E-04    0.992830E+00
  99    0.233209E-04    0.375011E+02 -0.621874E-06 0.100000E-04    0.988551E+00
 100    0.289025E-04    0.361827E+02 -0.798793E-06 0.100000E-04    0.996125E+00
 101   -0.831900E-04    0.347528E+02  0.239376E-05 0.100000E-04    0.993256E+00
 102    0.340779E-04    0.295588E+02 -0.115289E-05 0.100000E-04    0.995313E+00
 103   -0.273396E-04    0.289866E+02  0.943182E-06 0.100000E-04    0.994168E+00
 104    0.361939E-04    0.287143E+02 -0.126048E-05 0.100000E-04    0.996980E+00
 105    0.165227E-04    0.234457E+02 -0.704723E-06 0.100000E-04    0.986128E+00
 106    0.326455E-05    0.218977E+02 -0.149082E-06 0.100000E-04    0.945149E+00
 107    0.831027E-04    0.195848E+02 -0.424323E-05 0.100000E-04    0.993840E+00
 108   -0.838332E-04    0.166255E+02  0.504243E-05 0.100000E-04    0.998557E+00
 109    0.610198E-04    0.138689E+02 -0.439976E-05 0.100000E-04    0.994794E+00
 110   -0.468785E-04    0.126102E+02  0.371750E-05 0.100000E-04    0.985358E+00
 111   -0.985751E-04    0.115448E+02  0.853847E-05 0.100000E-04    0.990668E+00
 112    0.242455E-04    0.941243E+01 -0.257590E-05 0.100000E-04    0.995733E+00
 113    0.312676E-02    0.758860E+01 -0.110476E-04 0.110476E-04    0.341105E+00
 114   -0.226279E+00    0.480800E+01 -0.400000E-03 0.400000E-03    0.125622E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4695912742E-01

 Beginning of optimization cycle   99.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3976057122
 potential> RMS force:                                               0.0213749625   |gradient|=.2282221471    
 Eigenvalues of the Hessian matrix:
   719.43979    670.59305    623.35620    603.34592    589.67064    564.04651 
   561.54916    478.10555    470.32498    463.39334    441.51980    431.72341 
   420.35108    405.67598    398.37935    388.37658    366.95090    363.96929 
   352.69583    343.59730    324.11888    322.99235    318.69478    316.66070 
   305.35638    287.32800    279.94547    271.53938    265.77308    262.11116 
   257.68797    253.39296    244.06262    239.47793    234.23010    228.49515 
   224.71449    212.77129    211.15777    209.84406    202.90696    198.57741 
   195.34787    191.63744    186.39518    178.18954    170.70015    168.12491 
   165.75026    160.60645    153.72678    151.05026    148.58052    142.56087 
   136.90746    134.70157    131.01170    127.68906    125.71925    124.57219 
   119.42293    117.95807    116.39011    112.64177    110.19259    105.56868 
   102.82536    100.51051     97.22021     95.04276     91.31314     90.59944 
    88.16062     84.46783     80.88650     79.09157     78.70290     73.02469 
    71.33359     69.39808     67.67436     63.52581     62.24177     59.65997 
    58.57402     55.82396     53.64136     52.30608     50.30173     48.01795 
    43.65127     39.81379     37.49332     36.18423     34.75969     29.54948 
    28.98535     28.71477     23.44042     21.89853     19.58464     16.62859 
    13.86725     12.60616     11.53567      9.41433      7.58940      4.80865 
overlap for current and previous eigenvector    109 is         0.9999960375
overlap for current and previous eigenvector    110 is         0.9999912726
overlap for current and previous eigenvector    111 is         0.9999882046
overlap for current and previous eigenvector    112 is         0.9999995788
overlap for current and previous eigenvector    113 is         0.9999992718
overlap for current and previous eigenvector    114 is         0.9999992900
J1,K1,R1,R2,RAT=   7   7    0.7464227573E-01     1.925192608        0.9251926083    
FOB,PFOB,DIAG,PSTEP=    0.1080315613E-06    0.1167465056E-06     719.4397868       -0.1622875839E-09
J1,K1,R1,R2,RAT=   8   8   -0.2256853878E-02     2.002203395        0.9977431461    
FOB,PFOB,DIAG,PSTEP=   -0.7106742549E-06   -0.7090739359E-06     670.5930502        0.1057411629E-08
J1,K1,R1,R2,RAT=   9   9    0.6972639009E-02     1.992954571        0.9929545715    
FOB,PFOB,DIAG,PSTEP=    0.6302117303E-06    0.6346369860E-06     623.3561991       -0.1018133910E-08
J1,K1,R1,R2,RAT=  10  10   -0.7303860176E-02     2.007248815        0.9926961398    
FOB,PFOB,DIAG,PSTEP=    0.1334830944E-05    0.1325151953E-05     603.3459160       -0.2196399097E-08
J1,K1,R1,R2,RAT=  11  11   -0.3348505591E-02     2.003345563        0.9966514944    
FOB,PFOB,DIAG,PSTEP=   -0.9468534476E-06   -0.9436934801E-06     589.6706387        0.1600376221E-08
J1,K1,R1,R2,RAT= 109 109   -0.4532793597E-02     2.004769789        0.9954672064    
FOB,PFOB,DIAG,PSTEP=    0.6129631727E-04    0.6101976007E-04     13.86724866       -0.4399757423E-05
J1,K1,R1,R2,RAT= 110 110   -0.2328223247E-01     2.023927365        0.9767177675    
FOB,PFOB,DIAG,PSTEP=   -0.4796958843E-04   -0.4687850414E-04     12.60615535        0.3717500403E-05
J1,K1,R1,R2,RAT= 111 111   -0.5385598895E-02     2.006973232        0.9946144011    
FOB,PFOB,DIAG,PSTEP=   -0.9910560267E-04   -0.9857513761E-04     11.53567018        0.8538467864E-05
J1,K1,R1,R2,RAT= 112 112    0.1454807220E-01     1.985047901        0.9850479015    
FOB,PFOB,DIAG,PSTEP=    0.2389272700E-04    0.2424552391E-04     9.414333878       -0.2575904267E-05
J1,K1,R1,R2,RAT= 113 113   -0.8528363366         75.43756473        0.1471636634    
FOB,PFOB,DIAG,PSTEP=    0.3198263021E-02    0.3126757435E-02     7.589395786       -0.1104757790E-04
J1,K1,R1,R2,RAT= 114 114    0.9987242678        -236.2814851        0.1275732154E-02
FOB,PFOB,DIAG,PSTEP=   -0.2281996216       -0.2262786144         4.808652653       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00000      0.00001 
    -0.00001      0.00002     -0.00001     -0.00000      0.00000     -0.00001 
     0.00000      0.00000     -0.00000      0.00001     -0.00000      0.00002 
    -0.00001      0.00002      0.00001     -0.00001      0.00000     -0.00003 
    -0.00003      0.00001      0.00001      0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000      0.00002     -0.00001 
    -0.00000      0.00002      0.00003     -0.00001     -0.00003      0.00001 
     0.00002      0.00001      0.00002      0.00003     -0.00008      0.00003 
    -0.00003      0.00004      0.00002      0.00000      0.00008     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00320     -0.22820 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4372122288
 Log product of positive Hessian eigenvalues =          520.4379150709
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8086526530
 Unscaled step for mode    7=       -0.0000000002
 Unscaled step for mode    8=        0.0000000011
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000048
 Unscaled step for mode   13=       -0.0000000035
 Unscaled step for mode   14=        0.0000000113
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000025
 Unscaled step for mode   17=       -0.0000000024
 Unscaled step for mode   18=       -0.0000000070
 Unscaled step for mode   19=       -0.0000000147
 Unscaled step for mode   20=       -0.0000000188
 Unscaled step for mode   21=       -0.0000000108
 Unscaled step for mode   22=        0.0000000009
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000212
 Unscaled step for mode   26=        0.0000000326
 Unscaled step for mode   27=        0.0000000189
 Unscaled step for mode   28=        0.0000000166
 Unscaled step for mode   29=        0.0000000212
 Unscaled step for mode   30=        0.0000000160
 Unscaled step for mode   31=        0.0000000056
 Unscaled step for mode   32=        0.0000000005
 Unscaled step for mode   33=       -0.0000000138
 Unscaled step for mode   34=       -0.0000000064
 Unscaled step for mode   35=       -0.0000000426
 Unscaled step for mode   36=       -0.0000000071
 Unscaled step for mode   37=        0.0000000190
 Unscaled step for mode   38=        0.0000000105
 Unscaled step for mode   39=        0.0000000340
 Unscaled step for mode   40=       -0.0000000150
 Unscaled step for mode   41=       -0.0000000195
 Unscaled step for mode   42=        0.0000000092
 Unscaled step for mode   43=       -0.0000000077
 Unscaled step for mode   44=        0.0000000087
 Unscaled step for mode   45=       -0.0000000163
 Unscaled step for mode   46=       -0.0000000217
 Unscaled step for mode   47=        0.0000000584
 Unscaled step for mode   48=        0.0000000050
 Unscaled step for mode   49=       -0.0000000322
 Unscaled step for mode   50=        0.0000000255
 Unscaled step for mode   51=        0.0000000249
 Unscaled step for mode   52=       -0.0000000025
 Unscaled step for mode   53=        0.0000000292
 Unscaled step for mode   54=       -0.0000000132
 Unscaled step for mode   55=        0.0000000575
 Unscaled step for mode   56=        0.0000000217
 Unscaled step for mode   57=        0.0000000101
 Unscaled step for mode   58=        0.0000000495
 Unscaled step for mode   59=        0.0000000323
 Unscaled step for mode   60=       -0.0000000548
 Unscaled step for mode   61=        0.0000000432
 Unscaled step for mode   62=       -0.0000001339
 Unscaled step for mode   63=        0.0000000881
 Unscaled step for mode   64=        0.0000000185
 Unscaled step for mode   65=       -0.0000000118
 Unscaled step for mode   66=        0.0000001002
 Unscaled step for mode   67=       -0.0000000080
 Unscaled step for mode   68=       -0.0000000285
 Unscaled step for mode   69=        0.0000000033
 Unscaled step for mode   70=       -0.0000000510
 Unscaled step for mode   71=        0.0000000000
 Unscaled step for mode   72=       -0.0000001452
 Unscaled step for mode   73=        0.0000000533
 Unscaled step for mode   74=       -0.0000001814
 Unscaled step for mode   75=       -0.0000001171
 Unscaled step for mode   76=        0.0000001553
 Unscaled step for mode   77=       -0.0000000040
 Unscaled step for mode   78=        0.0000003005
 Unscaled step for mode   79=        0.0000003174
 Unscaled step for mode   80=       -0.0000000787
 Unscaled step for mode   81=       -0.0000001009
 Unscaled step for mode   82=       -0.0000001765
 Unscaled step for mode   83=       -0.0000001018
 Unscaled step for mode   84=        0.0000001370
 Unscaled step for mode   85=        0.0000002752
 Unscaled step for mode   86=        0.0000003630
 Unscaled step for mode   87=        0.0000000841
 Unscaled step for mode   88=       -0.0000000031
 Unscaled step for mode   89=       -0.0000003550
 Unscaled step for mode   90=        0.0000001734
 Unscaled step for mode   91=        0.0000000168
 Unscaled step for mode   92=       -0.0000004264
 Unscaled step for mode   93=       -0.0000005746
 Unscaled step for mode   94=        0.0000002676
 Unscaled step for mode   95=        0.0000005839
 Unscaled step for mode   96=       -0.0000001690
 Unscaled step for mode   97=       -0.0000004044
 Unscaled step for mode   98=       -0.0000003208
 Unscaled step for mode   99=       -0.0000006330
 Unscaled step for mode  100=       -0.0000008035
 Unscaled step for mode  101=        0.0000024093
 Unscaled step for mode  102=       -0.0000011652
 Unscaled step for mode  103=        0.0000009500
 Unscaled step for mode  104=       -0.0000012694
 Unscaled step for mode  105=       -0.0000007123
 Unscaled step for mode  106=       -0.0000001562
 Unscaled step for mode  107=       -0.0000042807
 Unscaled step for mode  108=        0.0000050420
 Unscaled step for mode  109=       -0.0000044202
 Unscaled step for mode  110=        0.0000038053
 Unscaled step for mode  111=        0.0000085912
 Unscaled step for mode  112=       -0.0000025379
 Unscaled step for mode  113=       -0.0004214120
 Unscaled step for mode  114=       -0.0473496459
 Largest modulus ratio of non-zero e/values=           149.6135901    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.142464E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.607153E-15    0.100768E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.875444E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.118612E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.796315E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.319365E-15    0.973516E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.108032E-06    0.719440E+03 -0.150161E-09 0.100000E-04    0.925193E+00
   8   -0.710674E-06    0.670593E+03  0.105977E-08 0.100000E-04    0.997743E+00
   9    0.630212E-06    0.623356E+03 -0.101100E-08 0.100000E-04    0.992955E+00
  10    0.133483E-05    0.603346E+03 -0.221238E-08 0.100000E-04    0.992696E+00
  11   -0.946853E-06    0.589671E+03  0.160573E-08 0.100000E-04    0.996651E+00
  12    0.268861E-05    0.564047E+03 -0.476665E-08 0.100000E-04    0.998458E+00
  13    0.193991E-05    0.561549E+03 -0.345457E-08 0.100000E-04    0.999895E+00
  14   -0.539062E-05    0.478106E+03  0.112750E-07 0.100000E-04    0.997029E+00
  15    0.163107E-05    0.470325E+03 -0.346796E-08 0.100000E-04    0.996485E+00
  16    0.116810E-05    0.463393E+03 -0.252076E-08 0.100000E-04    0.982069E+00
  17    0.104824E-05    0.441520E+03 -0.237416E-08 0.100000E-04    0.977691E+00
  18    0.304092E-05    0.431723E+03 -0.704367E-08 0.100000E-04    0.996556E+00
  19    0.616379E-05    0.420351E+03 -0.146634E-07 0.100000E-04    0.992493E+00
  20    0.761707E-05    0.405676E+03 -0.187762E-07 0.100000E-04    0.995632E+00
  21    0.428502E-05    0.398379E+03 -0.107561E-07 0.100000E-04    0.992313E+00
  22   -0.348429E-06    0.388377E+03  0.897143E-09 0.100000E-04    0.948326E+00
  23   -0.195833E-05    0.366951E+03  0.533675E-08 0.100000E-04    0.999343E+00
  24    0.188269E-05    0.363969E+03 -0.517265E-08 0.100000E-04    0.999215E+00
  25   -0.746533E-05    0.352696E+03  0.211665E-07 0.100000E-04    0.993034E+00
  26   -0.112039E-04    0.343597E+03  0.326077E-07 0.100000E-04    0.991492E+00
  27   -0.612304E-05    0.324119E+03  0.188913E-07 0.100000E-04    0.994850E+00
  28   -0.535255E-05    0.322992E+03  0.165718E-07 0.100000E-04    0.999735E+00
  29   -0.675947E-05    0.318695E+03  0.212099E-07 0.100000E-04    0.991524E+00
  30   -0.506227E-05    0.316661E+03  0.159864E-07 0.100000E-04    0.986139E+00
  31   -0.171810E-05    0.305356E+03  0.562655E-08 0.100000E-04    0.989885E+00
  32   -0.145471E-06    0.287328E+03  0.506288E-09 0.100000E-04    0.859322E+00
  33    0.386305E-05    0.279945E+03 -0.137993E-07 0.100000E-04    0.991270E+00
  34    0.174004E-05    0.271539E+03 -0.640808E-08 0.100000E-04    0.984647E+00
  35    0.113152E-04    0.265773E+03 -0.425747E-07 0.100000E-04    0.993275E+00
  36    0.186930E-05    0.262111E+03 -0.713172E-08 0.100000E-04    0.981627E+00
  37   -0.488575E-05    0.257688E+03  0.189599E-07 0.100000E-04    0.991749E+00
  38   -0.267244E-05    0.253393E+03  0.105466E-07 0.100000E-04    0.997416E+00
  39   -0.829657E-05    0.244063E+03  0.339936E-07 0.100000E-04    0.991512E+00
  40    0.360107E-05    0.239478E+03 -0.150372E-07 0.100000E-04    0.984974E+00
  41    0.456624E-05    0.234230E+03 -0.194947E-07 0.100000E-04    0.984795E+00
  42   -0.210460E-05    0.228495E+03  0.921068E-08 0.100000E-04    0.988175E+00
  43    0.173921E-05    0.224714E+03 -0.773963E-08 0.100000E-04    0.992966E+00
  44   -0.185922E-05    0.212771E+03  0.873812E-08 0.100000E-04    0.985397E+00
  45    0.344240E-05    0.211158E+03 -0.163025E-07 0.100000E-04    0.997539E+00
  46    0.455922E-05    0.209844E+03 -0.217267E-07 0.100000E-04    0.988985E+00
  47   -0.118470E-04    0.202907E+03  0.583864E-07 0.100000E-04    0.992463E+00
  48   -0.987243E-06    0.198577E+03  0.497158E-08 0.100000E-04    0.989185E+00
  49    0.628804E-05    0.195348E+03 -0.321889E-07 0.100000E-04    0.990882E+00
  50   -0.489367E-05    0.191637E+03  0.255361E-07 0.100000E-04    0.989892E+00
  51   -0.463487E-05    0.186395E+03  0.248658E-07 0.100000E-04    0.994127E+00
  52    0.436910E-06    0.178190E+03 -0.245194E-08 0.100000E-04    0.995870E+00
  53   -0.497832E-05    0.170700E+03  0.291641E-07 0.100000E-04    0.995290E+00
  54    0.221880E-05    0.168125E+03 -0.131973E-07 0.100000E-04    0.987597E+00
  55   -0.952385E-05    0.165750E+03  0.574590E-07 0.100000E-04    0.993430E+00
  56   -0.347860E-05    0.160606E+03  0.216592E-07 0.100000E-04    0.990181E+00
  57   -0.154780E-05    0.153727E+03  0.100685E-07 0.100000E-04    0.997028E+00
  58   -0.748065E-05    0.151050E+03  0.495242E-07 0.100000E-04    0.991543E+00
  59   -0.480567E-05    0.148581E+03  0.323439E-07 0.100000E-04    0.996091E+00
  60    0.781518E-05    0.142561E+03 -0.548200E-07 0.100000E-04    0.994828E+00
  61   -0.591976E-05    0.136907E+03  0.432391E-07 0.100000E-04    0.989654E+00
  62    0.180302E-04    0.134702E+03 -0.133853E-06 0.100000E-04    0.993262E+00
  63   -0.115459E-04    0.131012E+03  0.881289E-07 0.100000E-04    0.991367E+00
  64   -0.236595E-05    0.127689E+03  0.185290E-07 0.100000E-04    0.987782E+00
  65    0.148062E-05    0.125719E+03 -0.117772E-07 0.100000E-04    0.999830E+00
  66   -0.124842E-04    0.124572E+03  0.100217E-06 0.100000E-04    0.991521E+00
  67    0.953353E-06    0.119423E+03 -0.798300E-08 0.100000E-04    0.997149E+00
  68    0.336074E-05    0.117958E+03 -0.284910E-07 0.100000E-04    0.990586E+00
  69   -0.386754E-06    0.116390E+03  0.332291E-08 0.100000E-04    0.948034E+00
  70    0.574300E-05    0.112642E+03 -0.509847E-07 0.100000E-04    0.989506E+00
  71   -0.493581E-08    0.110193E+03  0.447926E-10 0.100000E-04    0.511049E+00
  72    0.153318E-04    0.105569E+03 -0.145231E-06 0.100000E-04    0.989256E+00
  73   -0.548083E-05    0.102825E+03  0.533024E-07 0.100000E-04    0.986192E+00
  74    0.182315E-04    0.100511E+03 -0.181389E-06 0.100000E-04    0.991956E+00
  75    0.113868E-04    0.972202E+02 -0.117123E-06 0.100000E-04    0.989584E+00
  76   -0.147595E-04    0.950428E+02  0.155294E-06 0.100000E-04    0.991643E+00
  77    0.362871E-06    0.913131E+02 -0.397392E-08 0.100000E-04    0.976566E+00
  78   -0.272208E-04    0.905994E+02  0.300453E-06 0.100000E-04    0.992279E+00
  79   -0.279861E-04    0.881606E+02  0.317444E-06 0.100000E-04    0.994801E+00
  80    0.664714E-05    0.844678E+02 -0.786944E-07 0.100000E-04    0.989954E+00
  81    0.816210E-05    0.808865E+02 -0.100908E-06 0.100000E-04    0.990600E+00
  82    0.139605E-04    0.790916E+02 -0.176510E-06 0.100000E-04    0.994114E+00
  83    0.801219E-05    0.787029E+02 -0.101803E-06 0.100000E-04    0.996649E+00
  84   -0.100040E-04    0.730247E+02  0.136994E-06 0.100000E-04    0.987632E+00
  85   -0.196280E-04    0.713336E+02  0.275158E-06 0.100000E-04    0.991436E+00
  86   -0.251930E-04    0.693981E+02  0.363021E-06 0.100000E-04    0.993093E+00
  87   -0.569426E-05    0.676744E+02  0.841421E-07 0.100000E-04    0.996106E+00
  88    0.199054E-06    0.635258E+02 -0.313343E-08 0.100000E-04    0.778325E+00
  89    0.220986E-04    0.622418E+02 -0.355044E-06 0.100000E-04    0.991640E+00
  90   -0.103466E-04    0.596600E+02  0.173426E-06 0.100000E-04    0.987969E+00
  91   -0.986141E-06    0.585740E+02  0.168358E-07 0.100000E-04    0.986098E+00
  92    0.238010E-04    0.558240E+02 -0.426357E-06 0.100000E-04    0.991063E+00
  93    0.308245E-04    0.536414E+02 -0.574641E-06 0.100000E-04    0.993705E+00
  94   -0.139991E-04    0.523061E+02  0.267638E-06 0.100000E-04    0.987265E+00
  95   -0.293701E-04    0.503017E+02  0.583878E-06 0.100000E-04    0.994732E+00
  96    0.811362E-05    0.480180E+02 -0.168971E-06 0.100000E-04    0.997309E+00
  97    0.176517E-04    0.436513E+02 -0.404380E-06 0.100000E-04    0.990849E+00
  98    0.127730E-04    0.398138E+02 -0.320817E-06 0.100000E-04    0.993044E+00
  99    0.237334E-04    0.374933E+02 -0.633002E-06 0.100000E-04    0.982312E+00
 100    0.290728E-04    0.361842E+02 -0.803467E-06 0.100000E-04    0.994107E+00
 101   -0.837471E-04    0.347597E+02  0.240932E-05 0.100000E-04    0.993304E+00
 102    0.344321E-04    0.295495E+02 -0.116524E-05 0.100000E-04    0.989603E+00
 103   -0.275369E-04    0.289854E+02  0.950027E-06 0.100000E-04    0.992787E+00
 104    0.364497E-04    0.287148E+02 -0.126937E-05 0.100000E-04    0.992930E+00
 105    0.166977E-04    0.234404E+02 -0.712346E-06 0.100000E-04    0.989409E+00
 106    0.342041E-05    0.218985E+02 -0.156194E-06 0.100000E-04    0.952260E+00
 107    0.838352E-04    0.195846E+02 -0.428066E-05 0.100000E-04    0.991186E+00
 108   -0.838418E-04    0.166286E+02  0.504203E-05 0.100000E-04    0.999736E+00
 109    0.612963E-04    0.138672E+02 -0.442022E-05 0.100000E-04    0.995467E+00
 110   -0.479696E-04    0.126062E+02  0.380525E-05 0.100000E-04    0.976718E+00
 111   -0.991056E-04    0.115357E+02  0.859123E-05 0.100000E-04    0.994614E+00
 112    0.238927E-04    0.941433E+01 -0.253791E-05 0.100000E-04    0.985048E+00
 113    0.319826E-02    0.758940E+01 -0.120419E-04 0.120419E-04    0.147164E+00
 114   -0.228200E+00    0.480865E+01 -0.400000E-03 0.400000E-03    0.127573E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4734964594E-01

 Beginning of optimization cycle  100.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3975140870
 potential> RMS force:                                               0.0215549689   |gradient|=.2301440901    
 Eigenvalues of the Hessian matrix:
   719.49914    670.61086    623.37875    603.36250    589.67132    564.06803 
   561.58762    478.12131    470.30262    463.38174    441.51687    431.71285 
   420.35890    405.68682    398.37575    388.38128    366.95211    363.95882 
   352.68603    343.55717    324.12436    322.96846    318.68550    316.67821 
   305.35449    287.32987    279.94177    271.53253    265.77237    262.11879 
   257.69025    253.39417    244.04843    239.46675    234.24063    228.49792 
   224.69597    212.76736    211.16102    209.83533    202.90921    198.57255 
   195.35089    191.63654    186.38993    178.17471    170.70174    168.12363 
   165.74898    160.60327    153.72152    151.04960    148.58735    142.56516 
   136.90803    134.70613    131.01088    127.68842    125.72277    124.57953 
   119.42313    117.95740    116.39401    112.63465    110.18475    105.56475 
   102.82545    100.50617     97.21933     95.04363     91.30679     90.60528 
    88.17217     84.46900     80.88626     79.09479     78.70123     73.02180 
    71.33665     69.38928     67.67779     63.52278     62.23616     59.65988 
    58.57713     55.82394     53.63944     52.30463     50.30193     48.01723 
    43.64672     39.81671     37.48559     36.18564     34.76655     29.54017 
    28.98410     28.71520     23.43516     21.89939     19.58454     16.63160 
    13.86562     12.60213     11.52643      9.41624      7.59016      4.80926 
overlap for current and previous eigenvector    109 is         0.9999960868
overlap for current and previous eigenvector    110 is         0.9999913744
overlap for current and previous eigenvector    111 is         0.9999882913
overlap for current and previous eigenvector    112 is         0.9999995755
overlap for current and previous eigenvector    113 is         0.9999992717
overlap for current and previous eigenvector    114 is         0.9999992945
J1,K1,R1,R2,RAT=   7   7    0.4640500924E-01     1.953430006        0.9534300064    
FOB,PFOB,DIAG,PSTEP=    0.1030179421E-06    0.1080315613E-06     719.4991398       -0.1501606712E-09
J1,K1,R1,R2,RAT=   8   8   -0.3130788457E-01     2.031254783        0.9686921154    
FOB,PFOB,DIAG,PSTEP=   -0.7329245532E-06   -0.7106742549E-06     670.6108554        0.1059769788E-08
J1,K1,R1,R2,RAT=   9   9   -0.1514301257E-01     2.015070678        0.9848569874    
FOB,PFOB,DIAG,PSTEP=    0.6397553797E-06    0.6302117303E-06     623.3787452       -0.1010997775E-08
J1,K1,R1,R2,RAT=  10  10    0.3406666533E-03     1.999604369        0.9996043693    
FOB,PFOB,DIAG,PSTEP=    0.1334376199E-05    0.1334830944E-05     603.3624976       -0.2212380839E-08
J1,K1,R1,R2,RAT=  11  11   -0.1565728416E-03     2.000154252        0.9998434272    
FOB,PFOB,DIAG,PSTEP=   -0.9470016993E-06   -0.9468534476E-06     589.6713229        0.1605732735E-08
J1,K1,R1,R2,RAT= 109 109   -0.4821217466E-02     2.005056393        0.9951787825    
FOB,PFOB,DIAG,PSTEP=    0.6159180540E-04    0.6129631727E-04     13.86561823       -0.4420221977E-05
J1,K1,R1,R2,RAT= 110 110   -0.1483517545E-01     2.015473924        0.9851648245    
FOB,PFOB,DIAG,PSTEP=   -0.4868099848E-04   -0.4796958843E-04     12.60213055        0.3805251252E-05
J1,K1,R1,R2,RAT= 111 111   -0.8748694862E-02     2.010352554        0.9912513051    
FOB,PFOB,DIAG,PSTEP=   -0.9997195259E-04   -0.9910560267E-04     11.52642679        0.8591230604E-05
J1,K1,R1,R2,RAT= 112 112    0.4348351197E-02     1.995247190        0.9952471905    
FOB,PFOB,DIAG,PSTEP=    0.2378881202E-04    0.2389272700E-04     9.416238116       -0.2537909460E-05
J1,K1,R1,R2,RAT= 113 113   -0.7040892779         70.68827601        0.2959107221    
FOB,PFOB,DIAG,PSTEP=    0.3262616493E-02    0.3198263021E-02     7.590155646       -0.1204185991E-04
J1,K1,R1,R2,RAT= 114 114    0.9987114514        -238.2488218        0.1288548602E-02
FOB,PFOB,DIAG,PSTEP=   -0.2301208479       -0.2281996216         4.809262709       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00000      0.00001 
    -0.00001      0.00002     -0.00001      0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000     -0.00001      0.00000      0.00002 
    -0.00001      0.00002      0.00001     -0.00001      0.00000     -0.00003 
    -0.00003      0.00001      0.00001      0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000      0.00002     -0.00001 
    -0.00000      0.00002     -0.00003      0.00001      0.00003     -0.00001 
     0.00002      0.00001      0.00002      0.00003     -0.00008      0.00003 
    -0.00003      0.00004      0.00002      0.00000      0.00008     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00326     -0.23012 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4372602956
 Log product of positive Hessian eigenvalues =          520.4363854503
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8092627086
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000011
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000048
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000113
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000025
 Unscaled step for mode   17=       -0.0000000024
 Unscaled step for mode   18=       -0.0000000071
 Unscaled step for mode   19=       -0.0000000148
 Unscaled step for mode   20=       -0.0000000188
 Unscaled step for mode   21=       -0.0000000108
 Unscaled step for mode   22=        0.0000000009
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000213
 Unscaled step for mode   26=        0.0000000329
 Unscaled step for mode   27=        0.0000000190
 Unscaled step for mode   28=        0.0000000166
 Unscaled step for mode   29=        0.0000000215
 Unscaled step for mode   30=        0.0000000162
 Unscaled step for mode   31=        0.0000000057
 Unscaled step for mode   32=        0.0000000005
 Unscaled step for mode   33=       -0.0000000139
 Unscaled step for mode   34=       -0.0000000064
 Unscaled step for mode   35=       -0.0000000429
 Unscaled step for mode   36=       -0.0000000072
 Unscaled step for mode   37=        0.0000000191
 Unscaled step for mode   38=        0.0000000106
 Unscaled step for mode   39=        0.0000000342
 Unscaled step for mode   40=       -0.0000000153
 Unscaled step for mode   41=       -0.0000000198
 Unscaled step for mode   42=        0.0000000093
 Unscaled step for mode   43=       -0.0000000079
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000164
 Unscaled step for mode   46=       -0.0000000221
 Unscaled step for mode   47=        0.0000000590
 Unscaled step for mode   48=        0.0000000049
 Unscaled step for mode   49=       -0.0000000326
 Unscaled step for mode   50=        0.0000000257
 Unscaled step for mode   51=        0.0000000251
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000294
 Unscaled step for mode   54=       -0.0000000134
 Unscaled step for mode   55=        0.0000000579
 Unscaled step for mode   56=        0.0000000217
 Unscaled step for mode   57=        0.0000000102
 Unscaled step for mode   58=        0.0000000499
 Unscaled step for mode   59=        0.0000000327
 Unscaled step for mode   60=       -0.0000000554
 Unscaled step for mode   61=        0.0000000436
 Unscaled step for mode   62=       -0.0000001347
 Unscaled step for mode   63=        0.0000000886
 Unscaled step for mode   64=       -0.0000000188
 Unscaled step for mode   65=        0.0000000116
 Unscaled step for mode   66=       -0.0000001009
 Unscaled step for mode   67=        0.0000000081
 Unscaled step for mode   68=        0.0000000287
 Unscaled step for mode   69=       -0.0000000032
 Unscaled step for mode   70=        0.0000000517
 Unscaled step for mode   71=       -0.0000000001
 Unscaled step for mode   72=       -0.0000001463
 Unscaled step for mode   73=        0.0000000541
 Unscaled step for mode   74=       -0.0000001825
 Unscaled step for mode   75=       -0.0000001187
 Unscaled step for mode   76=        0.0000001566
 Unscaled step for mode   77=       -0.0000000043
 Unscaled step for mode   78=        0.0000003035
 Unscaled step for mode   79=        0.0000003188
 Unscaled step for mode   80=       -0.0000000796
 Unscaled step for mode   81=       -0.0000001017
 Unscaled step for mode   82=       -0.0000001772
 Unscaled step for mode   83=       -0.0000001020
 Unscaled step for mode   84=        0.0000001382
 Unscaled step for mode   85=        0.0000002768
 Unscaled step for mode   86=        0.0000003655
 Unscaled step for mode   87=        0.0000000832
 Unscaled step for mode   88=       -0.0000000030
 Unscaled step for mode   89=       -0.0000003576
 Unscaled step for mode   90=        0.0000001744
 Unscaled step for mode   91=        0.0000000165
 Unscaled step for mode   92=       -0.0000004310
 Unscaled step for mode   93=        0.0000005771
 Unscaled step for mode   94=       -0.0000002698
 Unscaled step for mode   95=       -0.0000005861
 Unscaled step for mode   96=        0.0000001701
 Unscaled step for mode   97=       -0.0000004071
 Unscaled step for mode   98=       -0.0000003231
 Unscaled step for mode   99=       -0.0000006405
 Unscaled step for mode  100=       -0.0000008063
 Unscaled step for mode  101=        0.0000024248
 Unscaled step for mode  102=       -0.0000011709
 Unscaled step for mode  103=        0.0000009555
 Unscaled step for mode  104=       -0.0000012730
 Unscaled step for mode  105=       -0.0000007225
 Unscaled step for mode  106=       -0.0000001474
 Unscaled step for mode  107=       -0.0000043070
 Unscaled step for mode  108=        0.0000050468
 Unscaled step for mode  109=       -0.0000044421
 Unscaled step for mode  110=        0.0000038629
 Unscaled step for mode  111=        0.0000086733
 Unscaled step for mode  112=       -0.0000025264
 Unscaled step for mode  113=       -0.0004298484
 Unscaled step for mode  114=       -0.0477404504
 Largest modulus ratio of non-zero e/values=           149.6069530    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.118612E-15    0.101880E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.739317E-15    0.100768E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.193609E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.114118E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.710369E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.248743E-15    0.973517E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.103018E-06    0.719499E+03 -0.143180E-09 0.100000E-04    0.953430E+00
   8   -0.732925E-06    0.670611E+03  0.109292E-08 0.100000E-04    0.968692E+00
   9    0.639755E-06    0.623379E+03 -0.102627E-08 0.100000E-04    0.984857E+00
  10    0.133438E-05    0.603362E+03 -0.221157E-08 0.100000E-04    0.999604E+00
  11   -0.947002E-06    0.589671E+03  0.160598E-08 0.100000E-04    0.999843E+00
  12    0.270483E-05    0.564068E+03 -0.479523E-08 0.100000E-04    0.993966E+00
  13    0.192340E-05    0.561588E+03 -0.342493E-08 0.100000E-04    0.991351E+00
  14   -0.540153E-05    0.478121E+03  0.112974E-07 0.100000E-04    0.997977E+00
  15    0.164200E-05    0.470303E+03 -0.349138E-08 0.100000E-04    0.993294E+00
  16    0.117750E-05    0.463382E+03 -0.254111E-08 0.100000E-04    0.991953E+00
  17    0.105382E-05    0.441517E+03 -0.238681E-08 0.100000E-04    0.994676E+00
  18    0.306024E-05    0.431713E+03 -0.708859E-08 0.100000E-04    0.993646E+00
  19    0.620533E-05    0.420359E+03 -0.147620E-07 0.100000E-04    0.993261E+00
  20    0.763811E-05    0.405687E+03 -0.188276E-07 0.100000E-04    0.997239E+00
  21    0.431171E-05    0.398376E+03 -0.108232E-07 0.100000E-04    0.993771E+00
  22   -0.333873E-06    0.388381E+03  0.859651E-09 0.100000E-04    0.958198E+00
  23   -0.195457E-05    0.366952E+03  0.532651E-08 0.100000E-04    0.998078E+00
  24    0.188510E-05    0.363959E+03 -0.517944E-08 0.100000E-04    0.998717E+00
  25   -0.752132E-05    0.352686E+03  0.213258E-07 0.100000E-04    0.992499E+00
  26   -0.112977E-04    0.343557E+03  0.328844E-07 0.100000E-04    0.991631E+00
  27   -0.616465E-05    0.324124E+03  0.190194E-07 0.100000E-04    0.993204E+00
  28   -0.535650E-05    0.322968E+03  0.165852E-07 0.100000E-04    0.999263E+00
  29   -0.683987E-05    0.318686E+03  0.214628E-07 0.100000E-04    0.988106E+00
  30   -0.512904E-05    0.316678E+03  0.161964E-07 0.100000E-04    0.986811E+00
  31   -0.175247E-05    0.305354E+03  0.573914E-08 0.100000E-04    0.979995E+00
  32   -0.156928E-06    0.287330E+03  0.546158E-09 0.100000E-04    0.921244E+00
  33    0.388957E-05    0.279942E+03 -0.138942E-07 0.100000E-04    0.993133E+00
  34    0.174826E-05    0.271533E+03 -0.643848E-08 0.100000E-04    0.995280E+00
  35    0.114099E-04    0.265772E+03 -0.429311E-07 0.100000E-04    0.991632E+00
  36    0.189401E-05    0.262119E+03 -0.722578E-08 0.100000E-04    0.986782E+00
  37   -0.493194E-05    0.257690E+03  0.191390E-07 0.100000E-04    0.990546E+00
  38   -0.269571E-05    0.253394E+03  0.106384E-07 0.100000E-04    0.991293E+00
  39   -0.835763E-05    0.244048E+03  0.342458E-07 0.100000E-04    0.992640E+00
  40    0.366679E-05    0.239467E+03 -0.153123E-07 0.100000E-04    0.981751E+00
  41    0.463255E-05    0.234241E+03 -0.197769E-07 0.100000E-04    0.985480E+00
  42   -0.213243E-05    0.228498E+03  0.933239E-08 0.100000E-04    0.986774E+00
  43    0.176667E-05    0.224696E+03 -0.786247E-08 0.100000E-04    0.984211E+00
  44   -0.193186E-05    0.212767E+03  0.907969E-08 0.100000E-04    0.960929E+00
  45    0.345590E-05    0.211161E+03 -0.163662E-07 0.100000E-04    0.996079E+00
  46    0.463778E-05    0.209835E+03 -0.221020E-07 0.100000E-04    0.982769E+00
  47   -0.119644E-04    0.202909E+03  0.589643E-07 0.100000E-04    0.990092E+00
  48   -0.977084E-06    0.198573E+03  0.492054E-08 0.100000E-04    0.989710E+00
  49    0.635999E-05    0.195351E+03 -0.325567E-07 0.100000E-04    0.988558E+00
  50   -0.491661E-05    0.191637E+03  0.256559E-07 0.100000E-04    0.995311E+00
  51   -0.468260E-05    0.186390E+03  0.251226E-07 0.100000E-04    0.989702E+00
  52    0.434505E-06    0.178175E+03 -0.243865E-08 0.100000E-04    0.994494E+00
  53   -0.501940E-05    0.170702E+03  0.294045E-07 0.100000E-04    0.991749E+00
  54    0.225954E-05    0.168124E+03 -0.134398E-07 0.100000E-04    0.981637E+00
  55   -0.959912E-05    0.165749E+03  0.579136E-07 0.100000E-04    0.992096E+00
  56   -0.349298E-05    0.160603E+03  0.217491E-07 0.100000E-04    0.995867E+00
  57   -0.156660E-05    0.153722E+03  0.101912E-07 0.100000E-04    0.987849E+00
  58   -0.753143E-05    0.151050E+03  0.498606E-07 0.100000E-04    0.993212E+00
  59   -0.485768E-05    0.148587E+03  0.326924E-07 0.100000E-04    0.989178E+00
  60    0.790169E-05    0.142565E+03 -0.554251E-07 0.100000E-04    0.988931E+00
  61   -0.596391E-05    0.136908E+03  0.435614E-07 0.100000E-04    0.992542E+00
  62    0.181442E-04    0.134706E+03 -0.134694E-06 0.100000E-04    0.993678E+00
  63   -0.116121E-04    0.131011E+03  0.886343E-07 0.100000E-04    0.994272E+00
  64    0.240284E-05    0.127688E+03 -0.188180E-07 0.100000E-04    0.984407E+00
  65   -0.145970E-05    0.125723E+03  0.116105E-07 0.100000E-04    0.985816E+00
  66    0.125731E-04    0.124580E+03 -0.100924E-06 0.100000E-04    0.992880E+00
  67   -0.968315E-06    0.119423E+03  0.810827E-08 0.100000E-04    0.984306E+00
  68   -0.338929E-05    0.117957E+03  0.287332E-07 0.100000E-04    0.991505E+00
  69    0.374147E-06    0.116394E+03 -0.321449E-08 0.100000E-04    0.967339E+00
  70   -0.582869E-05    0.112635E+03  0.517486E-07 0.100000E-04    0.985079E+00
  71    0.106020E-07    0.110185E+03 -0.962201E-10 0.109000E-04    0.148054E+00
  72    0.154486E-04    0.105565E+03 -0.146343E-06 0.100000E-04    0.992381E+00
  73   -0.556437E-05    0.102825E+03  0.541147E-07 0.100000E-04    0.984759E+00
  74    0.183468E-04    0.100506E+03 -0.182544E-06 0.100000E-04    0.993676E+00
  75    0.115389E-04    0.972193E+02 -0.118689E-06 0.100000E-04    0.986639E+00
  76   -0.148882E-04    0.950436E+02  0.156646E-06 0.100000E-04    0.991281E+00
  77    0.393977E-06    0.913068E+02 -0.431487E-08 0.100000E-04    0.914274E+00
  78   -0.275003E-04    0.906053E+02  0.303518E-06 0.100000E-04    0.989734E+00
  79   -0.281132E-04    0.881722E+02  0.318844E-06 0.100000E-04    0.995460E+00
  80    0.672315E-05    0.844690E+02 -0.795932E-07 0.100000E-04    0.988565E+00
  81    0.822603E-05    0.808863E+02 -0.101699E-06 0.100000E-04    0.992167E+00
  82    0.140155E-04    0.790948E+02 -0.177199E-06 0.100000E-04    0.996057E+00
  83    0.803146E-05    0.787012E+02 -0.102050E-06 0.100000E-04    0.997595E+00
  84   -0.100889E-04    0.730218E+02  0.138163E-06 0.100000E-04    0.991507E+00
  85   -0.197486E-04    0.713367E+02  0.276837E-06 0.100000E-04    0.993855E+00
  86   -0.253637E-04    0.693893E+02  0.365527E-06 0.100000E-04    0.993225E+00
  87   -0.563035E-05    0.676778E+02  0.831935E-07 0.100000E-04    0.988675E+00
  88    0.188290E-06    0.635228E+02 -0.296413E-08 0.100000E-04    0.945922E+00
  89    0.222540E-04    0.622362E+02 -0.357574E-06 0.100000E-04    0.992964E+00
  90   -0.104039E-04    0.596599E+02  0.174388E-06 0.100000E-04    0.994458E+00
  91   -0.968153E-06    0.585771E+02  0.165278E-07 0.100000E-04    0.981654E+00
  92    0.240618E-04    0.558239E+02 -0.431029E-06 0.100000E-04    0.989042E+00
  93   -0.309540E-04    0.536394E+02  0.577076E-06 0.100000E-04    0.995798E+00
  94    0.141116E-04    0.523046E+02 -0.269797E-06 0.100000E-04    0.991959E+00
  95    0.294805E-04    0.503019E+02 -0.586070E-06 0.100000E-04    0.996241E+00
  96   -0.816946E-05    0.480172E+02  0.170136E-06 0.100000E-04    0.993118E+00
  97    0.177681E-04    0.436467E+02 -0.407090E-06 0.100000E-04    0.993404E+00
  98    0.128633E-04    0.398167E+02 -0.323064E-06 0.100000E-04    0.992924E+00
  99    0.240077E-04    0.374856E+02 -0.640451E-06 0.100000E-04    0.988439E+00
 100    0.291768E-04    0.361856E+02 -0.806307E-06 0.100000E-04    0.996425E+00
 101   -0.843008E-04    0.347666E+02  0.242477E-05 0.100000E-04    0.993390E+00
 102    0.345898E-04    0.295402E+02 -0.117094E-05 0.100000E-04    0.995420E+00
 103   -0.276939E-04    0.289841E+02  0.955484E-06 0.100000E-04    0.994298E+00
 104    0.365554E-04    0.287152E+02 -0.127303E-05 0.100000E-04    0.997100E+00
 105    0.169312E-04    0.234352E+02 -0.722470E-06 0.100000E-04    0.986013E+00
 106    0.322706E-05    0.218994E+02 -0.147358E-06 0.100000E-04    0.943396E+00
 107    0.843512E-04    0.195845E+02 -0.430703E-05 0.100000E-04    0.993844E+00
 108   -0.839364E-04    0.166316E+02  0.504680E-05 0.100000E-04    0.998872E+00
 109    0.615918E-04    0.138656E+02 -0.444205E-05 0.100000E-04    0.995179E+00
 110   -0.486810E-04    0.126021E+02  0.386292E-05 0.100000E-04    0.985165E+00
 111   -0.999720E-04    0.115264E+02  0.867328E-05 0.100000E-04    0.991251E+00
 112    0.237888E-04    0.941624E+01 -0.252636E-05 0.100000E-04    0.995247E+00
 113    0.326262E-02    0.759016E+01 -0.108485E-04 0.108485E-04    0.295911E+00
 114   -0.230121E+00    0.480926E+01 -0.400000E-03 0.400000E-03    0.128855E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4774045041E-01

 Beginning of optimization cycle  101.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3974216902
 potential> RMS force:                                               0.0217350075   |gradient|=.2320663762    
 Eigenvalues of the Hessian matrix:
   719.55857    670.62869    623.40125    603.37882    589.67203    564.08944 
   561.62604    478.13713    470.28024    463.37012    441.51395    431.70223 
   420.36666    405.69761    398.37213    388.38594    366.95330    363.94837 
   352.67617    343.51700    324.12981    322.94483    318.67615    316.69555 
   305.35253    287.33177    279.93807    271.52565    265.77167    262.12640 
   257.69249    253.39539    244.03426    239.45546    234.25115    228.50066 
   224.67742    212.76350    211.16431    209.82645    202.91145    198.56768 
   195.35388    191.63568    186.38460    178.15989    170.70341    168.12227 
   165.74770    160.60009    153.71629    151.04891    148.59422    142.56946 
   136.90859    134.71068    131.01007    127.68776    125.72629    124.58685 
   119.42336    117.95676    116.39791    112.62754    110.17690    105.56086 
   102.82557    100.50182     97.21844     95.04453     91.30044     90.61115 
    88.18371     84.47017     80.88601     79.09803     78.69953     73.01892 
    71.33976     69.38049     67.68127     63.51980     62.23053     59.65978 
    58.58025     55.82396     53.63751     52.30321     50.30213     48.01653 
    43.64217     39.81963     37.47789     36.18709     34.77347     29.53089 
    28.98284     28.71563     23.42989     21.90024     19.58453     16.63459 
    13.86401     12.59814     11.51713      9.41813      7.59092      4.80984 
overlap for current and previous eigenvector    109 is         0.9999961495
overlap for current and previous eigenvector    110 is         0.9999914993
overlap for current and previous eigenvector    111 is         0.9999884294
overlap for current and previous eigenvector    112 is         0.9999995718
overlap for current and previous eigenvector    113 is         0.9999992668
overlap for current and previous eigenvector    114 is         0.9999992973
J1,K1,R1,R2,RAT=   7   7    0.8628015931E-01     1.913554657        0.9135546566    
FOB,PFOB,DIAG,PSTEP=    0.9412880347E-07    0.1030179421E-06     719.5585696       -0.1431800768E-09
J1,K1,R1,R2,RAT=   8   8   -0.2537023347E-02     2.002483835        0.9974629767    
FOB,PFOB,DIAG,PSTEP=   -0.7347840494E-06   -0.7329245532E-06     670.6286901        0.1092920801E-08
J1,K1,R1,R2,RAT=   9   9    0.6777665051E-02     1.993150126        0.9931501263    
FOB,PFOB,DIAG,PSTEP=    0.6354191754E-06    0.6397553797E-06     623.4012526       -0.1026270762E-08
J1,K1,R1,R2,RAT=  10  10   -0.7212149131E-02     2.007158057        0.9927878509    
FOB,PFOB,DIAG,PSTEP=    0.1344000179E-05    0.1334376199E-05     603.3788166       -0.2211566354E-08
J1,K1,R1,R2,RAT=  11  11   -0.3306327100E-02     2.003303928        0.9966936729    
FOB,PFOB,DIAG,PSTEP=   -0.9501328005E-06   -0.9470016993E-06     589.6720302        0.1605982286E-08
J1,K1,R1,R2,RAT= 109 109   -0.4387224874E-02     2.004618812        0.9956127751    
FOB,PFOB,DIAG,PSTEP=    0.6186199122E-04    0.6159180540E-04     13.86401286       -0.4442052593E-05
J1,K1,R1,R2,RAT= 110 110   -0.2269243141E-01     2.023326468        0.9773075686    
FOB,PFOB,DIAG,PSTEP=   -0.4978533861E-04   -0.4868099848E-04     12.59813671        0.3862918122E-05
J1,K1,R1,R2,RAT= 111 111   -0.5121665964E-02     2.006735489        0.9948783340    
FOB,PFOB,DIAG,PSTEP=   -0.1004835627E-03   -0.9997195259E-04     11.51713349        0.8673282221E-05
J1,K1,R1,R2,RAT= 112 112    0.1525824375E-01     1.984339052        0.9843390516    
FOB,PFOB,DIAG,PSTEP=    0.2342576343E-04    0.2378881202E-04     9.418134479       -0.2526360499E-05
J1,K1,R1,R2,RAT= 113 113   -0.9027987183         80.14032603        0.9720128175E-01
FOB,PFOB,DIAG,PSTEP=    0.3336962225E-02    0.3262616493E-02     7.590921788       -0.1084852244E-04
J1,K1,R1,R2,RAT= 114 114    0.9986913607        -240.2173006        0.1308639274E-02
FOB,PFOB,DIAG,PSTEP=   -0.2320422679       -0.2301208479         4.809844197       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00000      0.00001 
     0.00001     -0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000     -0.00000      0.00000     -0.00001      0.00000      0.00002 
    -0.00001     -0.00002     -0.00001      0.00002     -0.00000     -0.00003 
    -0.00003      0.00001     -0.00001      0.00001      0.00001      0.00001 
     0.00002      0.00003      0.00001      0.00000      0.00002     -0.00001 
    -0.00000      0.00002     -0.00003      0.00001      0.00003     -0.00001 
     0.00002     -0.00001     -0.00002     -0.00003     -0.00008      0.00003 
    -0.00003      0.00004      0.00002      0.00000      0.00009     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00334     -0.23204 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4373046139
 Log product of positive Hessian eigenvalues =          520.4348581992
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8098441968
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000011
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000048
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000113
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000026
 Unscaled step for mode   17=       -0.0000000024
 Unscaled step for mode   18=       -0.0000000071
 Unscaled step for mode   19=       -0.0000000149
 Unscaled step for mode   20=       -0.0000000189
 Unscaled step for mode   21=       -0.0000000109
 Unscaled step for mode   22=        0.0000000008
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000215
 Unscaled step for mode   26=        0.0000000332
 Unscaled step for mode   27=        0.0000000191
 Unscaled step for mode   28=        0.0000000166
 Unscaled step for mode   29=        0.0000000216
 Unscaled step for mode   30=        0.0000000164
 Unscaled step for mode   31=        0.0000000058
 Unscaled step for mode   32=        0.0000000006
 Unscaled step for mode   33=       -0.0000000140
 Unscaled step for mode   34=       -0.0000000065
 Unscaled step for mode   35=       -0.0000000432
 Unscaled step for mode   36=       -0.0000000074
 Unscaled step for mode   37=        0.0000000193
 Unscaled step for mode   38=        0.0000000107
 Unscaled step for mode   39=        0.0000000345
 Unscaled step for mode   40=       -0.0000000155
 Unscaled step for mode   41=       -0.0000000201
 Unscaled step for mode   42=        0.0000000094
 Unscaled step for mode   43=       -0.0000000079
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000164
 Unscaled step for mode   46=       -0.0000000223
 Unscaled step for mode   47=        0.0000000594
 Unscaled step for mode   48=        0.0000000049
 Unscaled step for mode   49=       -0.0000000328
 Unscaled step for mode   50=        0.0000000259
 Unscaled step for mode   51=        0.0000000253
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000295
 Unscaled step for mode   54=       -0.0000000136
 Unscaled step for mode   55=        0.0000000583
 Unscaled step for mode   56=        0.0000000220
 Unscaled step for mode   57=        0.0000000102
 Unscaled step for mode   58=        0.0000000503
 Unscaled step for mode   59=        0.0000000328
 Unscaled step for mode   60=       -0.0000000557
 Unscaled step for mode   61=       -0.0000000440
 Unscaled step for mode   62=        0.0000001356
 Unscaled step for mode   63=       -0.0000000894
 Unscaled step for mode   64=       -0.0000000190
 Unscaled step for mode   65=       -0.0000000116
 Unscaled step for mode   66=        0.0000001018
 Unscaled step for mode   67=        0.0000000081
 Unscaled step for mode   68=        0.0000000290
 Unscaled step for mode   69=       -0.0000000030
 Unscaled step for mode   70=        0.0000000523
 Unscaled step for mode   71=       -0.0000000002
 Unscaled step for mode   72=       -0.0000001479
 Unscaled step for mode   73=        0.0000000548
 Unscaled step for mode   74=        0.0000001840
 Unscaled step for mode   75=        0.0000001199
 Unscaled step for mode   76=       -0.0000001579
 Unscaled step for mode   77=        0.0000000042
 Unscaled step for mode   78=        0.0000003058
 Unscaled step for mode   79=        0.0000003204
 Unscaled step for mode   80=       -0.0000000804
 Unscaled step for mode   81=        0.0000001026
 Unscaled step for mode   82=       -0.0000001782
 Unscaled step for mode   83=       -0.0000001017
 Unscaled step for mode   84=       -0.0000001399
 Unscaled step for mode   85=       -0.0000002792
 Unscaled step for mode   86=       -0.0000003680
 Unscaled step for mode   87=       -0.0000000828
 Unscaled step for mode   88=       -0.0000000021
 Unscaled step for mode   89=       -0.0000003605
 Unscaled step for mode   90=        0.0000001765
 Unscaled step for mode   91=        0.0000000163
 Unscaled step for mode   92=       -0.0000004348
 Unscaled step for mode   93=        0.0000005806
 Unscaled step for mode   94=       -0.0000002732
 Unscaled step for mode   95=       -0.0000005891
 Unscaled step for mode   96=        0.0000001706
 Unscaled step for mode   97=       -0.0000004108
 Unscaled step for mode   98=        0.0000003253
 Unscaled step for mode   99=        0.0000006518
 Unscaled step for mode  100=        0.0000008108
 Unscaled step for mode  101=        0.0000024401
 Unscaled step for mode  102=       -0.0000011834
 Unscaled step for mode  103=        0.0000009622
 Unscaled step for mode  104=       -0.0000012818
 Unscaled step for mode  105=       -0.0000007302
 Unscaled step for mode  106=       -0.0000001544
 Unscaled step for mode  107=       -0.0000043441
 Unscaled step for mode  108=        0.0000050453
 Unscaled step for mode  109=       -0.0000044621
 Unscaled step for mode  110=        0.0000039518
 Unscaled step for mode  111=        0.0000087247
 Unscaled step for mode  112=       -0.0000024873
 Unscaled step for mode  113=       -0.0004395990
 Unscaled step for mode  114=       -0.0481314365
 Largest modulus ratio of non-zero e/values=           149.6012220    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.344343E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.184965E-15    0.100768E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.418068E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.152330E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.354296E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.290756E-15    0.973519E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.941288E-07    0.719559E+03 -0.130815E-09 0.100000E-04    0.913555E+00
   8   -0.734784E-06    0.670629E+03  0.109566E-08 0.100000E-04    0.997463E+00
   9    0.635419E-06    0.623401E+03 -0.101928E-08 0.100000E-04    0.993150E+00
  10    0.134400E-05    0.603379E+03 -0.222746E-08 0.100000E-04    0.992788E+00
  11   -0.950133E-06    0.589672E+03  0.161129E-08 0.100000E-04    0.996694E+00
  12    0.270903E-05    0.564089E+03 -0.480248E-08 0.100000E-04    0.998449E+00
  13    0.192288E-05    0.561626E+03 -0.342377E-08 0.100000E-04    0.999594E+00
  14   -0.541697E-05    0.478137E+03  0.113293E-07 0.100000E-04    0.997141E+00
  15    0.163629E-05    0.470280E+03 -0.347940E-08 0.100000E-04    0.996521E+00
  16    0.119817E-05    0.463370E+03 -0.258578E-08 0.100000E-04    0.982446E+00
  17    0.107671E-05    0.441514E+03 -0.243868E-08 0.100000E-04    0.978275E+00
  18    0.307073E-05    0.431702E+03 -0.711307E-08 0.100000E-04    0.996572E+00
  19    0.625138E-05    0.420367E+03 -0.148713E-07 0.100000E-04    0.992578E+00
  20    0.767071E-05    0.405698E+03 -0.189075E-07 0.100000E-04    0.995732E+00
  21    0.434426E-05    0.398372E+03 -0.109050E-07 0.100000E-04    0.992450E+00
  22   -0.314527E-06    0.388386E+03  0.809830E-09 0.100000E-04    0.942033E+00
  23   -0.195312E-05    0.366953E+03  0.532253E-08 0.100000E-04    0.999250E+00
  24    0.188630E-05    0.363948E+03 -0.518288E-08 0.100000E-04    0.999364E+00
  25   -0.757312E-05    0.352676E+03  0.214733E-07 0.100000E-04    0.993112E+00
  26   -0.113927E-04    0.343517E+03  0.331649E-07 0.100000E-04    0.991587E+00
  27   -0.619670E-05    0.324130E+03  0.191180E-07 0.100000E-04    0.994801E+00
  28   -0.535226E-05    0.322945E+03  0.165733E-07 0.100000E-04    0.999208E+00
  29   -0.689527E-05    0.318676E+03  0.216372E-07 0.100000E-04    0.991900E+00
  30   -0.520177E-05    0.316696E+03  0.164251E-07 0.100000E-04    0.985821E+00
  31   -0.177016E-05    0.305353E+03  0.579711E-08 0.100000E-04    0.989907E+00
  32   -0.175120E-06    0.287332E+03  0.609471E-09 0.100000E-04    0.884070E+00
  33    0.392317E-05    0.279938E+03 -0.140144E-07 0.100000E-04    0.991363E+00
  34    0.177473E-05    0.271526E+03 -0.653613E-08 0.100000E-04    0.984859E+00
  35    0.114854E-04    0.265772E+03 -0.432155E-07 0.100000E-04    0.993380E+00
  36    0.192827E-05    0.262126E+03 -0.735626E-08 0.100000E-04    0.981914E+00
  37   -0.497235E-05    0.257692E+03  0.192957E-07 0.100000E-04    0.991806E+00
  38   -0.270263E-05    0.253395E+03  0.106657E-07 0.100000E-04    0.997433E+00
  39   -0.842726E-05    0.244034E+03  0.345331E-07 0.100000E-04    0.991668E+00
  40    0.372100E-05    0.239455E+03 -0.155394E-07 0.100000E-04    0.985215E+00
  41    0.470201E-05    0.234251E+03 -0.200725E-07 0.100000E-04    0.985006E+00
  42   -0.215718E-05    0.228501E+03  0.944060E-08 0.100000E-04    0.988394E+00
  43    0.177927E-05    0.224677E+03 -0.791920E-08 0.100000E-04    0.992868E+00
  44   -0.195983E-05    0.212763E+03  0.921133E-08 0.100000E-04    0.985520E+00
  45    0.346454E-05    0.211164E+03 -0.164068E-07 0.100000E-04    0.997502E+00
  46    0.468774E-05    0.209826E+03 -0.223410E-07 0.100000E-04    0.989228E+00
  47   -0.120534E-04    0.202911E+03  0.594023E-07 0.100000E-04    0.992560E+00
  48   -0.965934E-06    0.198568E+03  0.486451E-08 0.100000E-04    0.988588E+00
  49    0.641722E-05    0.195354E+03 -0.328492E-07 0.100000E-04    0.991002E+00
  50   -0.496570E-05    0.191636E+03  0.259122E-07 0.100000E-04    0.990016E+00
  51   -0.470993E-05    0.186385E+03  0.252700E-07 0.100000E-04    0.994162E+00
  52    0.432642E-06    0.178160E+03 -0.242839E-08 0.100000E-04    0.995713E+00
  53   -0.504285E-05    0.170703E+03  0.295416E-07 0.100000E-04    0.995327E+00
  54    0.228714E-05    0.168122E+03 -0.136040E-07 0.100000E-04    0.987787E+00
  55   -0.966125E-05    0.165748E+03  0.582889E-07 0.100000E-04    0.993528E+00
  56   -0.352654E-05    0.160600E+03  0.219585E-07 0.100000E-04    0.990391E+00
  57   -0.157168E-05    0.153716E+03  0.102246E-07 0.100000E-04    0.996759E+00
  58   -0.759442E-05    0.151049E+03  0.502779E-07 0.100000E-04    0.991636E+00
  59   -0.487627E-05    0.148594E+03  0.328160E-07 0.100000E-04    0.996173E+00
  60    0.794237E-05    0.142569E+03 -0.557088E-07 0.100000E-04    0.994852E+00
  61    0.602501E-05    0.136909E+03 -0.440076E-07 0.100000E-04    0.989754E+00
  62   -0.182644E-04    0.134711E+03  0.135583E-06 0.100000E-04    0.993371E+00
  63    0.117107E-04    0.131010E+03 -0.893881E-07 0.100000E-04    0.991502E+00
  64    0.243227E-05    0.127688E+03 -0.190486E-07 0.100000E-04    0.987753E+00
  65    0.145870E-05    0.125726E+03 -0.116022E-07 0.100000E-04    0.999261E+00
  66   -0.126782E-04    0.124587E+03  0.101762E-06 0.100000E-04    0.991647E+00
  67   -0.965607E-06    0.119423E+03  0.808558E-08 0.100000E-04    0.997199E+00
  68   -0.342081E-05    0.117957E+03  0.290006E-07 0.100000E-04    0.990699E+00
  69    0.352472E-06    0.116398E+03 -0.302816E-08 0.100000E-04    0.942003E+00
  70   -0.588879E-05    0.112628E+03  0.522856E-07 0.100000E-04    0.989687E+00
  71    0.255066E-07    0.110177E+03 -0.231506E-09 0.100000E-04    0.405932E+00
  72    0.156123E-04    0.105561E+03 -0.147898E-06 0.100000E-04    0.989405E+00
  73   -0.563998E-05    0.102826E+03  0.548500E-07 0.100000E-04    0.986412E+00
  74   -0.184915E-04    0.100502E+03  0.183992E-06 0.100000E-04    0.992113E+00
  75   -0.116583E-04    0.972184E+02  0.119919E-06 0.100000E-04    0.989649E+00
  76    0.150105E-04    0.950445E+02 -0.157932E-06 0.100000E-04    0.991784E+00
  77   -0.386644E-06    0.913004E+02  0.423486E-08 0.100000E-04    0.981388E+00
  78   -0.277103E-04    0.906111E+02  0.305816E-06 0.100000E-04    0.992364E+00
  79   -0.282543E-04    0.881837E+02  0.320402E-06 0.100000E-04    0.994981E+00
  80    0.678975E-05    0.844702E+02 -0.803804E-07 0.100000E-04    0.990095E+00
  81   -0.830187E-05    0.808860E+02  0.102637E-06 0.100000E-04    0.990781E+00
  82    0.140932E-04    0.790980E+02 -0.178174E-06 0.100000E-04    0.994457E+00
  83    0.800701E-05    0.786995E+02 -0.101741E-06 0.100000E-04    0.996955E+00
  84    0.102121E-04    0.730189E+02 -0.139856E-06 0.100000E-04    0.987790E+00
  85    0.199155E-04    0.713398E+02 -0.279164E-06 0.100000E-04    0.991553E+00
  86    0.255352E-04    0.693805E+02 -0.368046E-06 0.100000E-04    0.993236E+00
  87    0.560460E-05    0.676813E+02 -0.828088E-07 0.100000E-04    0.995325E+00
  88    0.131105E-06    0.635198E+02 -0.206401E-08 0.100000E-04    0.696282E+00
  89    0.224371E-04    0.622305E+02 -0.360548E-06 0.100000E-04    0.991774E+00
  90   -0.105270E-04    0.596598E+02  0.176450E-06 0.100000E-04    0.988175E+00
  91   -0.953663E-06    0.585803E+02  0.162796E-07 0.100000E-04    0.984927E+00
  92    0.242735E-04    0.558240E+02 -0.434822E-06 0.100000E-04    0.991200E+00
  93   -0.311436E-04    0.536375E+02  0.580632E-06 0.100000E-04    0.993875E+00
  94    0.142882E-04    0.523032E+02 -0.273181E-06 0.100000E-04    0.987485E+00
  95    0.296311E-04    0.503021E+02 -0.589062E-06 0.100000E-04    0.994891E+00
  96   -0.819071E-05    0.480165E+02  0.170581E-06 0.100000E-04    0.997399E+00
  97    0.179285E-04    0.436422E+02 -0.410807E-06 0.100000E-04    0.990973E+00
  98   -0.129518E-04    0.398196E+02  0.325263E-06 0.100000E-04    0.993120E+00
  99   -0.244282E-04    0.374779E+02  0.651804E-06 0.100000E-04    0.982479E+00
 100   -0.293406E-04    0.361871E+02  0.810802E-06 0.100000E-04    0.994385E+00
 101   -0.848523E-04    0.347735E+02  0.244015E-05 0.100000E-04    0.993459E+00
 102    0.349469E-04    0.295309E+02 -0.118340E-05 0.100000E-04    0.989671E+00
 103   -0.278867E-04    0.289828E+02  0.962181E-06 0.100000E-04    0.993035E+00
 104    0.368075E-04    0.287156E+02 -0.128179E-05 0.100000E-04    0.993106E+00
 105    0.171083E-04    0.234299E+02 -0.730189E-06 0.100000E-04    0.989541E+00
 106    0.338203E-05    0.219002E+02 -0.154429E-06 0.100000E-04    0.951981E+00
 107    0.850764E-04    0.195845E+02 -0.434406E-05 0.100000E-04    0.991403E+00
 108   -0.839258E-04    0.166346E+02  0.504526E-05 0.100000E-04    0.999515E+00
 109    0.618620E-04    0.138640E+02 -0.446206E-05 0.100000E-04    0.995613E+00
 110   -0.497853E-04    0.125981E+02  0.395180E-05 0.100000E-04    0.977308E+00
 111   -0.100484E-03    0.115171E+02  0.872470E-05 0.100000E-04    0.994878E+00
 112    0.234258E-04    0.941813E+01 -0.248730E-05 0.100000E-04    0.984339E+00
 113    0.333696E-02    0.759092E+01 -0.118249E-04 0.118249E-04    0.972013E-01
 114   -0.232042E+00    0.480984E+01 -0.400000E-03 0.400000E-03    0.130864E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4813143651E-01

 Beginning of optimization cycle  102.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3973285288
 potential> RMS force:                                               0.0219150553   |gradient|=.2339887599    
 Eigenvalues of the Hessian matrix:
   719.61796    670.64641    623.42362    603.39511    589.67256    564.11087 
   561.66451    478.15298    470.25786    463.35856    441.51106    431.69169 
   420.37448    405.70845    398.36851    388.39058    366.95455    363.93791 
   352.66640    343.47690    324.13530    322.92139    318.66668    316.71277 
   305.35057    287.33371    279.93434    271.51883    265.77103    262.13411 
   257.69489    253.39664    244.02017    239.44420    234.26174    228.50341 
   224.65888    212.75976    211.16774    209.81743    202.91372    198.56284 
   195.35687    191.63484    186.37921    178.14507    170.70512    168.12090 
   165.74642    160.59686    153.71113    151.04823    148.60104    142.57372 
   136.90915    134.71526    131.00924    127.68712    125.72982    124.59415 
   119.42360    117.95613    116.40179    112.62039    110.16898    105.55695 
   102.82570    100.49747     97.21749     95.04540     91.29411     90.61705 
    88.19528     84.47137     80.88579     79.10129     78.69781     73.01603 
    71.34283     69.37167     67.68468     63.51688     62.22480     59.65967 
    58.58336     55.82398     53.63552     52.30179     50.30230     48.01582 
    43.63761     39.82254     37.47019     36.18844     34.78039     29.52161 
    28.98158     28.71605     23.42464     21.90109     19.58456     16.63754 
    13.86242     12.59418     11.50776      9.42003      7.59166      4.81039 
overlap for current and previous eigenvector    109 is         0.9999961977
overlap for current and previous eigenvector    110 is         0.9999916056
overlap for current and previous eigenvector    111 is         0.9999885233
overlap for current and previous eigenvector    112 is         0.9999995683
overlap for current and previous eigenvector    113 is         0.9999992664
overlap for current and previous eigenvector    114 is         0.9999993017
J1,K1,R1,R2,RAT=   7   7    0.5603635393E-01     1.943798590        0.9437985904    
FOB,PFOB,DIAG,PSTEP=    0.8885373318E-07    0.9412880347E-07     719.6179581       -0.1308146514E-09
J1,K1,R1,R2,RAT=   8   8   -0.3027016655E-01     2.030217334        0.9697298334    
FOB,PFOB,DIAG,PSTEP=   -0.7570266725E-06   -0.7347840494E-06     670.6464062        0.1095664501E-08
J1,K1,R1,R2,RAT=   9   9   -0.1469369013E-01     2.014621930        0.9853063099    
FOB,PFOB,DIAG,PSTEP=    0.6447561629E-06    0.6354191754E-06     623.4236211       -0.1019277989E-08
J1,K1,R1,R2,RAT=  10  10    0.3892438704E-03     1.999556749        0.9995567494    
FOB,PFOB,DIAG,PSTEP=    0.1343477021E-05    0.1344000179E-05     603.3951103       -0.2227456686E-08
J1,K1,R1,R2,RAT=  11  11   -0.1476160804E-03     2.000145831        0.9998523839    
FOB,PFOB,DIAG,PSTEP=   -0.9502730555E-06   -0.9501328005E-06     589.6725567        0.1611290263E-08
J1,K1,R1,R2,RAT= 109 109   -0.4685791994E-02     2.004915559        0.9953142080    
FOB,PFOB,DIAG,PSTEP=    0.6215183034E-04    0.6186199122E-04     13.86242030       -0.4462055238E-05
J1,K1,R1,R2,RAT= 110 110   -0.1449907284E-01     2.015126703        0.9855009272    
FOB,PFOB,DIAG,PSTEP=   -0.5050695340E-04   -0.4978533861E-04     12.59418447        0.3951801741E-05
J1,K1,R1,R2,RAT= 111 111   -0.8529374081E-02     2.010159255        0.9914706259    
FOB,PFOB,DIAG,PSTEP=   -0.1013399267E-03   -0.1004835627E-03     11.50775535        0.8724702446E-05
J1,K1,R1,R2,RAT= 112 112    0.4813434271E-02     1.994783458        0.9947834577    
FOB,PFOB,DIAG,PSTEP=    0.2331298232E-04    0.2342576343E-04     9.420033124       -0.2487303986E-05
J1,K1,R1,R2,RAT= 113 113   -0.7497914003         75.09408836        0.2502085997    
FOB,PFOB,DIAG,PSTEP=    0.3404271371E-02    0.3336962225E-02     7.591656295       -0.1182488946E-04
J1,K1,R1,R2,RAT= 114 114    0.9986779094        -242.1874730        0.1322090622E-02
FOB,PFOB,DIAG,PSTEP=   -0.2339638786       -0.2320422679         4.810386565       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00000      0.00001 
     0.00001     -0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000     -0.00000      0.00000     -0.00001      0.00000      0.00002 
    -0.00001     -0.00002     -0.00001      0.00002     -0.00000     -0.00003 
    -0.00003      0.00001      0.00001     -0.00001      0.00001      0.00001 
     0.00002      0.00003      0.00001      0.00000      0.00002     -0.00001 
    -0.00000      0.00002     -0.00003      0.00001      0.00003     -0.00001 
     0.00002     -0.00001     -0.00002     -0.00003     -0.00009      0.00004 
    -0.00003      0.00004      0.00002      0.00000     -0.00009     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00340     -0.23396 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4373506116
 Log product of positive Hessian eigenvalues =          520.4333090516
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8103865647
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000011
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000048
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000026
 Unscaled step for mode   17=       -0.0000000025
 Unscaled step for mode   18=       -0.0000000072
 Unscaled step for mode   19=       -0.0000000150
 Unscaled step for mode   20=       -0.0000000190
 Unscaled step for mode   21=       -0.0000000110
 Unscaled step for mode   22=        0.0000000008
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000216
 Unscaled step for mode   26=        0.0000000334
 Unscaled step for mode   27=        0.0000000192
 Unscaled step for mode   28=        0.0000000166
 Unscaled step for mode   29=        0.0000000219
 Unscaled step for mode   30=        0.0000000166
 Unscaled step for mode   31=        0.0000000059
 Unscaled step for mode   32=        0.0000000007
 Unscaled step for mode   33=       -0.0000000141
 Unscaled step for mode   34=       -0.0000000066
 Unscaled step for mode   35=       -0.0000000436
 Unscaled step for mode   36=       -0.0000000075
 Unscaled step for mode   37=        0.0000000195
 Unscaled step for mode   38=        0.0000000108
 Unscaled step for mode   39=        0.0000000348
 Unscaled step for mode   40=       -0.0000000158
 Unscaled step for mode   41=       -0.0000000204
 Unscaled step for mode   42=        0.0000000096
 Unscaled step for mode   43=       -0.0000000080
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000165
 Unscaled step for mode   46=       -0.0000000227
 Unscaled step for mode   47=        0.0000000600
 Unscaled step for mode   48=        0.0000000048
 Unscaled step for mode   49=       -0.0000000332
 Unscaled step for mode   50=        0.0000000260
 Unscaled step for mode   51=        0.0000000255
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000298
 Unscaled step for mode   54=       -0.0000000138
 Unscaled step for mode   55=        0.0000000587
 Unscaled step for mode   56=        0.0000000220
 Unscaled step for mode   57=        0.0000000103
 Unscaled step for mode   58=        0.0000000506
 Unscaled step for mode   59=       -0.0000000332
 Unscaled step for mode   60=       -0.0000000563
 Unscaled step for mode   61=       -0.0000000443
 Unscaled step for mode   62=        0.0000001364
 Unscaled step for mode   63=       -0.0000000899
 Unscaled step for mode   64=       -0.0000000193
 Unscaled step for mode   65=       -0.0000000114
 Unscaled step for mode   66=        0.0000001025
 Unscaled step for mode   67=        0.0000000082
 Unscaled step for mode   68=        0.0000000292
 Unscaled step for mode   69=       -0.0000000029
 Unscaled step for mode   70=        0.0000000531
 Unscaled step for mode   71=       -0.0000000003
 Unscaled step for mode   72=       -0.0000001490
 Unscaled step for mode   73=        0.0000000557
 Unscaled step for mode   74=        0.0000001851
 Unscaled step for mode   75=        0.0000001215
 Unscaled step for mode   76=       -0.0000001593
 Unscaled step for mode   77=        0.0000000046
 Unscaled step for mode   78=        0.0000003089
 Unscaled step for mode   79=        0.0000003218
 Unscaled step for mode   80=       -0.0000000813
 Unscaled step for mode   81=       -0.0000001034
 Unscaled step for mode   82=        0.0000001788
 Unscaled step for mode   83=       -0.0000001020
 Unscaled step for mode   84=       -0.0000001410
 Unscaled step for mode   85=       -0.0000002808
 Unscaled step for mode   86=       -0.0000003705
 Unscaled step for mode   87=       -0.0000000818
 Unscaled step for mode   88=       -0.0000000019
 Unscaled step for mode   89=       -0.0000003631
 Unscaled step for mode   90=        0.0000001774
 Unscaled step for mode   91=        0.0000000160
 Unscaled step for mode   92=       -0.0000004395
 Unscaled step for mode   93=        0.0000005830
 Unscaled step for mode   94=       -0.0000002754
 Unscaled step for mode   95=       -0.0000005912
 Unscaled step for mode   96=        0.0000001717
 Unscaled step for mode   97=       -0.0000004135
 Unscaled step for mode   98=        0.0000003275
 Unscaled step for mode   99=        0.0000006595
 Unscaled step for mode  100=        0.0000008135
 Unscaled step for mode  101=        0.0000024554
 Unscaled step for mode  102=       -0.0000011892
 Unscaled step for mode  103=        0.0000009675
 Unscaled step for mode  104=       -0.0000012853
 Unscaled step for mode  105=       -0.0000007403
 Unscaled step for mode  106=       -0.0000001456
 Unscaled step for mode  107=        0.0000043701
 Unscaled step for mode  108=        0.0000050490
 Unscaled step for mode  109=       -0.0000044835
 Unscaled step for mode  110=        0.0000040103
 Unscaled step for mode  111=        0.0000088062
 Unscaled step for mode  112=       -0.0000024748
 Unscaled step for mode  113=       -0.0004484227
 Unscaled step for mode  114=       -0.0485227161
 Largest modulus ratio of non-zero e/values=           149.5967005    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.171954E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.879613E-15    0.100767E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.715501E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.254137E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.108290E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.718284E-16    0.973520E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.888537E-07    0.719618E+03 -0.123473E-09 0.100000E-04    0.943799E+00
   8   -0.757027E-06    0.670646E+03  0.112880E-08 0.100000E-04    0.969730E+00
   9    0.644756E-06    0.623424E+03 -0.103422E-08 0.100000E-04    0.985306E+00
  10    0.134348E-05    0.603395E+03 -0.222653E-08 0.100000E-04    0.999557E+00
  11   -0.950273E-06    0.589673E+03  0.161153E-08 0.100000E-04    0.999852E+00
  12    0.272505E-05    0.564111E+03 -0.483069E-08 0.100000E-04    0.994088E+00
  13    0.190586E-05    0.561665E+03 -0.339324E-08 0.100000E-04    0.991013E+00
  14   -0.542730E-05    0.478153E+03  0.113506E-07 0.100000E-04    0.998093E+00
  15    0.164703E-05    0.470258E+03 -0.350240E-08 0.100000E-04    0.993436E+00
  16    0.120785E-05    0.463359E+03 -0.260672E-08 0.100000E-04    0.991925E+00
  17    0.108254E-05    0.441511E+03 -0.245190E-08 0.100000E-04    0.994585E+00
  18    0.308989E-05    0.431692E+03 -0.715764E-08 0.100000E-04    0.993759E+00
  19    0.629297E-05    0.420374E+03 -0.149699E-07 0.100000E-04    0.993348E+00
  20    0.769123E-05    0.405708E+03 -0.189575E-07 0.100000E-04    0.997324E+00
  21    0.437081E-05    0.398369E+03 -0.109718E-07 0.100000E-04    0.993890E+00
  22   -0.299536E-06    0.388391E+03  0.771224E-09 0.100000E-04    0.952316E+00
  23   -0.194906E-05    0.366955E+03  0.531145E-08 0.100000E-04    0.997916E+00
  24    0.188843E-05    0.363938E+03 -0.518889E-08 0.100000E-04    0.998869E+00
  25   -0.762915E-05    0.352666E+03  0.216328E-07 0.100000E-04    0.992602E+00
  26   -0.114869E-04    0.343477E+03  0.334429E-07 0.100000E-04    0.991734E+00
  27   -0.623880E-05    0.324135E+03  0.192475E-07 0.100000E-04    0.993206E+00
  28   -0.535329E-05    0.322921E+03  0.165777E-07 0.100000E-04    0.999806E+00
  29   -0.697396E-05    0.318667E+03  0.218848E-07 0.100000E-04    0.988587E+00
  30   -0.527244E-05    0.316713E+03  0.166474E-07 0.100000E-04    0.986415E+00
  31   -0.180486E-05    0.305351E+03  0.591078E-08 0.100000E-04    0.980399E+00
  32   -0.186937E-06    0.287334E+03  0.650594E-09 0.100000E-04    0.932520E+00
  33    0.394974E-05    0.279934E+03 -0.141095E-07 0.100000E-04    0.993227E+00
  34    0.178333E-05    0.271519E+03 -0.656797E-08 0.100000E-04    0.995153E+00
  35    0.115800E-04    0.265771E+03 -0.435713E-07 0.100000E-04    0.991769E+00
  36    0.195377E-05    0.262134E+03 -0.745334E-08 0.100000E-04    0.986774E+00
  37   -0.501879E-05    0.257695E+03  0.194757E-07 0.100000E-04    0.990661E+00
  38   -0.272566E-05    0.253397E+03  0.107565E-07 0.100000E-04    0.991479E+00
  39   -0.848821E-05    0.244020E+03  0.347849E-07 0.100000E-04    0.992768E+00
  40    0.378754E-05    0.239444E+03 -0.158180E-07 0.100000E-04    0.982117E+00
  41    0.476955E-05    0.234262E+03 -0.203599E-07 0.100000E-04    0.985637E+00
  42   -0.218526E-05    0.228503E+03  0.956336E-08 0.100000E-04    0.986984E+00
  43    0.180704E-05    0.224659E+03 -0.804347E-08 0.100000E-04    0.984390E+00
  44   -0.203358E-05    0.212760E+03  0.955809E-08 0.100000E-04    0.962372E+00
  45    0.347725E-05    0.211168E+03 -0.164668E-07 0.100000E-04    0.996330E+00
  46    0.476632E-05    0.209817E+03 -0.227165E-07 0.100000E-04    0.983235E+00
  47   -0.121709E-04    0.202914E+03  0.599807E-07 0.100000E-04    0.990252E+00
  48   -0.955260E-06    0.198563E+03  0.481087E-08 0.100000E-04    0.988949E+00
  49    0.648965E-05    0.195357E+03 -0.332195E-07 0.100000E-04    0.988712E+00
  50   -0.498850E-05    0.191635E+03  0.260313E-07 0.100000E-04    0.995408E+00
  51   -0.475777E-05    0.186379E+03  0.255274E-07 0.100000E-04    0.989843E+00
  52    0.429992E-06    0.178145E+03 -0.241372E-08 0.100000E-04    0.993873E+00
  53   -0.508359E-05    0.170705E+03  0.297800E-07 0.100000E-04    0.991921E+00
  54    0.232840E-05    0.168121E+03 -0.138496E-07 0.100000E-04    0.981959E+00
  55   -0.973629E-05    0.165746E+03  0.587421E-07 0.100000E-04    0.992233E+00
  56   -0.354090E-05    0.160597E+03  0.220484E-07 0.100000E-04    0.995929E+00
  57   -0.159061E-05    0.153711E+03  0.103480E-07 0.100000E-04    0.987958E+00
  58   -0.764557E-05    0.151048E+03  0.506168E-07 0.100000E-04    0.993265E+00
  59    0.492769E-05    0.148601E+03 -0.331605E-07 0.100000E-04    0.989455E+00
  60    0.802861E-05    0.142574E+03 -0.563120E-07 0.100000E-04    0.989143E+00
  61    0.606955E-05    0.136909E+03 -0.443327E-07 0.100000E-04    0.992608E+00
  62   -0.183776E-04    0.134715E+03  0.136418E-06 0.100000E-04    0.993802E+00
  63    0.117767E-04    0.131009E+03 -0.898922E-07 0.100000E-04    0.994366E+00
  64    0.247001E-05    0.127687E+03 -0.193442E-07 0.100000E-04    0.984484E+00
  65    0.143713E-05    0.125730E+03 -0.114303E-07 0.100000E-04    0.985155E+00
  66   -0.127669E-04    0.124594E+03  0.102468E-06 0.100000E-04    0.992998E+00
  67   -0.980679E-06    0.119424E+03  0.821177E-08 0.100000E-04    0.984391E+00
  68   -0.344946E-05    0.117956E+03  0.292436E-07 0.100000E-04    0.991626E+00
  69    0.339459E-06    0.116402E+03 -0.291627E-08 0.100000E-04    0.963016E+00
  70   -0.597504E-05    0.112620E+03  0.530547E-07 0.100000E-04    0.985354E+00
  71    0.316959E-07    0.110169E+03 -0.287702E-09 0.100000E-04    0.757328E+00
  72    0.157300E-04    0.105557E+03 -0.149019E-06 0.100000E-04    0.992460E+00
  73   -0.572440E-05    0.102826E+03  0.556709E-07 0.100000E-04    0.985031E+00
  74   -0.186059E-04    0.100497E+03  0.185138E-06 0.100000E-04    0.993811E+00
  75   -0.118121E-04    0.972175E+02  0.121502E-06 0.100000E-04    0.986812E+00
  76    0.151393E-04    0.950454E+02 -0.159285E-06 0.100000E-04    0.991422E+00
  77   -0.418716E-06    0.912941E+02  0.458646E-08 0.100000E-04    0.917045E+00
  78   -0.279901E-04    0.906171E+02  0.308884E-06 0.100000E-04    0.989902E+00
  79   -0.283770E-04    0.881953E+02  0.321751E-06 0.100000E-04    0.995658E+00
  80    0.686624E-05    0.844714E+02 -0.812848E-07 0.100000E-04    0.988735E+00
  81    0.836573E-05    0.808858E+02 -0.103426E-06 0.100000E-04    0.992308E+00
  82   -0.141444E-04    0.791013E+02  0.178814E-06 0.100000E-04    0.996367E+00
  83    0.802857E-05    0.786978E+02 -0.102018E-06 0.100000E-04    0.997306E+00
  84    0.102979E-04    0.730160E+02 -0.141037E-06 0.100000E-04    0.991594E+00
  85    0.200359E-04    0.713428E+02 -0.280840E-06 0.100000E-04    0.993953E+00
  86    0.257041E-04    0.693717E+02 -0.370527E-06 0.100000E-04    0.993386E+00
  87    0.553704E-05    0.676847E+02 -0.818063E-07 0.100000E-04    0.987844E+00
  88    0.119635E-06    0.635169E+02 -0.188351E-08 0.100000E-04    0.912505E+00
  89    0.225926E-04    0.622248E+02 -0.363080E-06 0.100000E-04    0.993070E+00
  90   -0.105844E-04    0.596597E+02  0.177412E-06 0.100000E-04    0.994548E+00
  91   -0.935442E-06    0.585834E+02  0.159677E-07 0.100000E-04    0.980788E+00
  92    0.245344E-04    0.558240E+02 -0.439496E-06 0.100000E-04    0.989250E+00
  93   -0.312697E-04    0.536355E+02  0.583004E-06 0.100000E-04    0.995952E+00
  94    0.144017E-04    0.523018E+02 -0.275358E-06 0.100000E-04    0.992058E+00
  95    0.297380E-04    0.503023E+02 -0.591186E-06 0.100000E-04    0.996390E+00
  96   -0.824605E-05    0.480158E+02  0.171736E-06 0.100000E-04    0.993243E+00
  97    0.180445E-04    0.436376E+02 -0.413508E-06 0.100000E-04    0.993531E+00
  98   -0.130422E-04    0.398225E+02  0.327509E-06 0.100000E-04    0.993021E+00
  99   -0.247100E-04    0.374702E+02  0.659457E-06 0.100000E-04    0.988463E+00
 100   -0.294390E-04    0.361884E+02  0.813492E-06 0.100000E-04    0.996646E+00
 101   -0.853982E-04    0.347804E+02  0.245535E-05 0.100000E-04    0.993568E+00
 102    0.351084E-04    0.295216E+02 -0.118924E-05 0.100000E-04    0.995378E+00
 103   -0.280397E-04    0.289816E+02  0.967501E-06 0.100000E-04    0.994514E+00
 104    0.369097E-04    0.287161E+02 -0.128533E-05 0.100000E-04    0.997221E+00
 105    0.173413E-04    0.234246E+02 -0.740300E-06 0.100000E-04    0.986377E+00
 106    0.318872E-05    0.219011E+02 -0.145596E-06 0.100000E-04    0.942766E+00
 107   -0.855871E-04    0.195846E+02  0.437013E-05 0.100000E-04    0.993998E+00
 108   -0.840036E-04    0.166375E+02  0.504904E-05 0.100000E-04    0.999074E+00
 109    0.621518E-04    0.138624E+02 -0.448348E-05 0.100000E-04    0.995314E+00
 110   -0.505070E-04    0.125942E+02  0.401034E-05 0.100000E-04    0.985501E+00
 111   -0.101340E-03    0.115078E+02  0.880623E-05 0.100000E-04    0.991471E+00
 112    0.233130E-04    0.942003E+01 -0.247483E-05 0.100000E-04    0.994783E+00
 113    0.340427E-02    0.759166E+01 -0.106531E-04 0.106531E-04    0.250209E+00
 114   -0.233964E+00    0.481039E+01 -0.400000E-03 0.400000E-03    0.132209E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4852271606E-01

 Beginning of optimization cycle  103.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3972345956
 potential> RMS force:                                               0.0220951326   |gradient|=.2359114602    
 Eigenvalues of the Hessian matrix:
   719.67742    670.66415    623.44595    603.41114    589.67310    564.13219 
   561.70296    478.16890    470.23546    463.34698    441.50819    431.68108 
   420.38223    405.71924    398.36487    388.39519    366.95579    363.92748 
   352.65657    343.43676    324.14077    322.89821    318.65715    316.72982 
   305.34855    287.33567    279.93059    271.51199    265.77040    262.14179 
   257.69725    253.39790    244.00611    239.43283    234.27233    228.50612 
   224.64030    212.75609    211.17122    209.80827    202.91599    198.55798 
   195.35983    191.63402    186.37374    178.13026    170.70689    168.11946 
   165.74513    160.59362    153.70600    151.04752    148.60790    142.57800 
   136.90970    134.71984    131.00842    127.68647    125.73334    124.60143 
   119.42386    117.95553    116.40567    112.61325    110.16104    105.55307 
   102.82586    100.49312     97.21652     95.04631     91.28777     90.62298 
    88.20685     84.47256     80.88558     79.10456     78.69608     73.01316 
    71.34595     69.36286     67.68813     63.51400     62.21905     59.65957 
    58.58649     55.82405     53.63353     52.30039     50.30247     48.01512 
    43.63306     39.82545     37.46253     36.18983     34.78736     29.51236 
    28.98031     28.71647     23.41939     21.90193     19.58467     16.64047 
    13.86085     12.59026     11.49833      9.42192      7.59240      4.81090 
overlap for current and previous eigenvector    109 is         0.9999962585
overlap for current and previous eigenvector    110 is         0.9999917324
overlap for current and previous eigenvector    111 is         0.9999886647
overlap for current and previous eigenvector    112 is         0.9999995644
overlap for current and previous eigenvector    113 is         0.9999992614
overlap for current and previous eigenvector    114 is         0.9999993045
J1,K1,R1,R2,RAT=   7   7    0.1019570720         1.897877678        0.8978776780    
FOB,PFOB,DIAG,PSTEP=    0.7979371813E-07    0.8885373318E-07     719.6774215       -0.1234734795E-09
J1,K1,R1,R2,RAT=   8   8   -0.2798901582E-02     2.002745985        0.9972010984    
FOB,PFOB,DIAG,PSTEP=   -0.7591455717E-06   -0.7570266725E-06     670.6641509        0.1128801505E-08
J1,K1,R1,R2,RAT=   9   9    0.6626426466E-02     1.993301941        0.9933019409    
FOB,PFOB,DIAG,PSTEP=    0.6404835806E-06    0.6447561629E-06     623.4459507       -0.1034218373E-08
J1,K1,R1,R2,RAT=  10  10   -0.7115680409E-02     2.007062536        0.9928843196    
FOB,PFOB,DIAG,PSTEP=    0.1353037029E-05    0.1343477021E-05     603.4111443       -0.2226529514E-08
J1,K1,R1,R2,RAT=  11  11   -0.3237593680E-02     2.003235735        0.9967624063    
FOB,PFOB,DIAG,PSTEP=   -0.9533496564E-06   -0.9502730555E-06     589.6731047        0.1611526676E-08
J1,K1,R1,R2,RAT= 109 109   -0.4273148640E-02     2.004499394        0.9957268514    
FOB,PFOB,DIAG,PSTEP=    0.6241738431E-04    0.6215183034E-04     13.86085232       -0.4483476118E-05
J1,K1,R1,R2,RAT= 110 110   -0.2207631360E-01     2.022699213        0.9779236864    
FOB,PFOB,DIAG,PSTEP=   -0.5162161359E-04   -0.5050695340E-04     12.59026324        0.4010339337E-05
J1,K1,R1,R2,RAT= 111 111   -0.4910356048E-02     2.006550100        0.9950896440    
FOB,PFOB,DIAG,PSTEP=   -0.1018371342E-03   -0.1013399267E-03     11.49832819        0.8806228811E-05
J1,K1,R1,R2,RAT= 112 112    0.1595102786E-01     1.983647605        0.9836476052    
FOB,PFOB,DIAG,PSTEP=    0.2294104165E-04    0.2331298232E-04     9.421923949       -0.2474830185E-05
J1,K1,R1,R2,RAT= 113 113   -0.9533425952         85.13184199        0.4665740484E-01
FOB,PFOB,DIAG,PSTEP=    0.3481379823E-02    0.3404271371E-02     7.592396457       -0.1065305357E-04
J1,K1,R1,R2,RAT= 114 114    0.9986572735        -244.1588349        0.1342726490E-02
FOB,PFOB,DIAG,PSTEP=   -0.2358856548       -0.2339638786         4.810900387       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00001     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00000      0.00001 
     0.00001     -0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000     -0.00000      0.00000     -0.00001      0.00000      0.00002 
    -0.00001      0.00002      0.00001     -0.00002      0.00000      0.00003 
     0.00003      0.00001     -0.00001     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001     -0.00000     -0.00002     -0.00001 
    -0.00000      0.00002     -0.00003      0.00001      0.00003     -0.00001 
     0.00002     -0.00001     -0.00003     -0.00003     -0.00009      0.00004 
    -0.00003      0.00004      0.00002      0.00000     -0.00009     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00348     -0.23589 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4373929149
 Log product of positive Hessian eigenvalues =          520.4317620239
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8109003875
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000011
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000048
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000027
 Unscaled step for mode   17=       -0.0000000025
 Unscaled step for mode   18=       -0.0000000072
 Unscaled step for mode   19=       -0.0000000151
 Unscaled step for mode   20=       -0.0000000190
 Unscaled step for mode   21=       -0.0000000111
 Unscaled step for mode   22=        0.0000000007
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000218
 Unscaled step for mode   26=        0.0000000337
 Unscaled step for mode   27=        0.0000000193
 Unscaled step for mode   28=        0.0000000166
 Unscaled step for mode   29=        0.0000000221
 Unscaled step for mode   30=        0.0000000169
 Unscaled step for mode   31=        0.0000000060
 Unscaled step for mode   32=        0.0000000007
 Unscaled step for mode   33=       -0.0000000142
 Unscaled step for mode   34=       -0.0000000067
 Unscaled step for mode   35=       -0.0000000439
 Unscaled step for mode   36=       -0.0000000076
 Unscaled step for mode   37=        0.0000000196
 Unscaled step for mode   38=        0.0000000108
 Unscaled step for mode   39=        0.0000000351
 Unscaled step for mode   40=       -0.0000000160
 Unscaled step for mode   41=       -0.0000000207
 Unscaled step for mode   42=        0.0000000097
 Unscaled step for mode   43=       -0.0000000081
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000165
 Unscaled step for mode   46=       -0.0000000230
 Unscaled step for mode   47=        0.0000000604
 Unscaled step for mode   48=        0.0000000048
 Unscaled step for mode   49=       -0.0000000335
 Unscaled step for mode   50=        0.0000000263
 Unscaled step for mode   51=        0.0000000257
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000299
 Unscaled step for mode   54=       -0.0000000140
 Unscaled step for mode   55=        0.0000000591
 Unscaled step for mode   56=        0.0000000223
 Unscaled step for mode   57=        0.0000000104
 Unscaled step for mode   58=        0.0000000510
 Unscaled step for mode   59=       -0.0000000333
 Unscaled step for mode   60=       -0.0000000566
 Unscaled step for mode   61=       -0.0000000448
 Unscaled step for mode   62=        0.0000001373
 Unscaled step for mode   63=       -0.0000000906
 Unscaled step for mode   64=       -0.0000000196
 Unscaled step for mode   65=       -0.0000000114
 Unscaled step for mode   66=        0.0000001033
 Unscaled step for mode   67=        0.0000000082
 Unscaled step for mode   68=        0.0000000295
 Unscaled step for mode   69=       -0.0000000027
 Unscaled step for mode   70=        0.0000000536
 Unscaled step for mode   71=       -0.0000000004
 Unscaled step for mode   72=       -0.0000001506
 Unscaled step for mode   73=        0.0000000564
 Unscaled step for mode   74=       -0.0000001866
 Unscaled step for mode   75=       -0.0000001228
 Unscaled step for mode   76=        0.0000001606
 Unscaled step for mode   77=       -0.0000000045
 Unscaled step for mode   78=       -0.0000003112
 Unscaled step for mode   79=       -0.0000003233
 Unscaled step for mode   80=       -0.0000000821
 Unscaled step for mode   81=        0.0000001044
 Unscaled step for mode   82=        0.0000001797
 Unscaled step for mode   83=       -0.0000001017
 Unscaled step for mode   84=        0.0000001427
 Unscaled step for mode   85=        0.0000002832
 Unscaled step for mode   86=        0.0000003730
 Unscaled step for mode   87=        0.0000000814
 Unscaled step for mode   88=        0.0000000010
 Unscaled step for mode   89=        0.0000003660
 Unscaled step for mode   90=        0.0000001795
 Unscaled step for mode   91=        0.0000000157
 Unscaled step for mode   92=       -0.0000004433
 Unscaled step for mode   93=        0.0000005865
 Unscaled step for mode   94=       -0.0000002788
 Unscaled step for mode   95=       -0.0000005941
 Unscaled step for mode   96=        0.0000001722
 Unscaled step for mode   97=       -0.0000004172
 Unscaled step for mode   98=        0.0000003297
 Unscaled step for mode   99=        0.0000006710
 Unscaled step for mode  100=        0.0000008178
 Unscaled step for mode  101=        0.0000024705
 Unscaled step for mode  102=       -0.0000012019
 Unscaled step for mode  103=        0.0000009740
 Unscaled step for mode  104=       -0.0000012940
 Unscaled step for mode  105=       -0.0000007481
 Unscaled step for mode  106=       -0.0000001526
 Unscaled step for mode  107=        0.0000044067
 Unscaled step for mode  108=        0.0000050464
 Unscaled step for mode  109=       -0.0000045031
 Unscaled step for mode  110=        0.0000041001
 Unscaled step for mode  111=        0.0000088567
 Unscaled step for mode  112=       -0.0000024349
 Unscaled step for mode  113=       -0.0004585349
 Unscaled step for mode  114=       -0.0489141858
 Largest modulus ratio of non-zero e/values=           149.5930831    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.158510E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.112215E-15    0.100767E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.327809E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.299240E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.635368E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.578964E-16    0.973522E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.797937E-07    0.719677E+03 -0.110874E-09 0.100000E-04    0.897878E+00
   8   -0.759146E-06    0.670664E+03  0.113193E-08 0.100000E-04    0.997201E+00
   9    0.640484E-06    0.623446E+03 -0.102733E-08 0.100000E-04    0.993302E+00
  10    0.135304E-05    0.603411E+03 -0.224231E-08 0.100000E-04    0.992884E+00
  11   -0.953350E-06    0.589673E+03  0.161674E-08 0.100000E-04    0.996762E+00
  12    0.272925E-05    0.564132E+03 -0.483796E-08 0.100000E-04    0.998457E+00
  13    0.190473E-05    0.561703E+03 -0.339099E-08 0.100000E-04    0.999269E+00
  14   -0.544221E-05    0.478169E+03  0.113813E-07 0.100000E-04    0.997254E+00
  15    0.164133E-05    0.470235E+03 -0.349043E-08 0.100000E-04    0.996535E+00
  16    0.122862E-05    0.463347E+03 -0.265161E-08 0.100000E-04    0.982804E+00
  17    0.110546E-05    0.441508E+03 -0.250382E-08 0.100000E-04    0.978834E+00
  18    0.310036E-05    0.431681E+03 -0.718206E-08 0.100000E-04    0.996613E+00
  19    0.633911E-05    0.420382E+03 -0.150794E-07 0.100000E-04    0.992668E+00
  20    0.772329E-05    0.405719E+03 -0.190360E-07 0.100000E-04    0.995832E+00
  21    0.440321E-05    0.398365E+03 -0.110532E-07 0.100000E-04    0.992587E+00
  22   -0.279764E-06    0.388395E+03  0.720306E-09 0.100000E-04    0.933966E+00
  23   -0.194739E-05    0.366956E+03  0.530687E-08 0.100000E-04    0.999133E+00
  24    0.188933E-05    0.363927E+03 -0.519151E-08 0.100000E-04    0.999524E+00
  25   -0.768107E-05    0.352657E+03  0.217806E-07 0.100000E-04    0.993195E+00
  26   -0.115824E-04    0.343437E+03  0.337250E-07 0.100000E-04    0.991682E+00
  27   -0.627148E-05    0.324141E+03  0.193480E-07 0.100000E-04    0.994762E+00
  28   -0.534632E-05    0.322898E+03  0.165573E-07 0.100000E-04    0.998697E+00
  29   -0.702764E-05    0.318657E+03  0.220539E-07 0.100000E-04    0.992302E+00
  30   -0.534901E-05    0.316730E+03  0.168882E-07 0.100000E-04    0.985478E+00
  31   -0.182302E-05    0.305349E+03  0.597030E-08 0.100000E-04    0.989937E+00
  32   -0.205422E-06    0.287336E+03  0.714921E-09 0.100000E-04    0.901118E+00
  33    0.398349E-05    0.279931E+03 -0.142303E-07 0.100000E-04    0.991455E+00
  34    0.180998E-05    0.271512E+03 -0.666630E-08 0.100000E-04    0.985055E+00
  35    0.116555E-04    0.265770E+03 -0.438557E-07 0.100000E-04    0.993475E+00
  36    0.198865E-05    0.262142E+03 -0.758616E-08 0.100000E-04    0.982151E+00
  37   -0.505960E-05    0.257697E+03  0.196339E-07 0.100000E-04    0.991869E+00
  38   -0.273260E-05    0.253398E+03  0.107838E-07 0.100000E-04    0.997452E+00
  39   -0.855763E-05    0.244006E+03  0.350714E-07 0.100000E-04    0.991821E+00
  40    0.384267E-05    0.239433E+03 -0.160491E-07 0.100000E-04    0.985442E+00
  41    0.484018E-05    0.234272E+03 -0.206605E-07 0.100000E-04    0.985191E+00
  42   -0.221025E-05    0.228506E+03  0.967263E-08 0.100000E-04    0.988563E+00
  43    0.182008E-05    0.224640E+03 -0.810220E-08 0.100000E-04    0.992782E+00
  44   -0.206286E-05    0.212756E+03  0.969587E-08 0.100000E-04    0.985603E+00
  45    0.348610E-05    0.211171E+03 -0.165084E-07 0.100000E-04    0.997454E+00
  46    0.481656E-05    0.209808E+03 -0.229570E-07 0.100000E-04    0.989459E+00
  47   -0.122604E-04    0.202916E+03  0.604209E-07 0.100000E-04    0.992651E+00
  48   -0.943797E-06    0.198558E+03  0.475326E-08 0.100000E-04    0.988000E+00
  49    0.654732E-05    0.195360E+03 -0.335141E-07 0.100000E-04    0.991114E+00
  50   -0.503762E-05    0.191634E+03  0.262877E-07 0.100000E-04    0.990152E+00
  51   -0.478536E-05    0.186374E+03  0.256762E-07 0.100000E-04    0.994200E+00
  52    0.428023E-06    0.178130E+03 -0.240286E-08 0.100000E-04    0.995421E+00
  53   -0.510710E-05    0.170707E+03  0.299174E-07 0.100000E-04    0.995376E+00
  54    0.235645E-05    0.168119E+03 -0.140165E-07 0.100000E-04    0.987956E+00
  55   -0.979836E-05    0.165745E+03  0.591171E-07 0.100000E-04    0.993624E+00
  56   -0.357427E-05    0.160594E+03  0.222566E-07 0.100000E-04    0.990576E+00
  57   -0.159612E-05    0.153706E+03  0.103842E-07 0.100000E-04    0.996535E+00
  58   -0.770887E-05    0.151048E+03  0.510361E-07 0.100000E-04    0.991721E+00
  59    0.494608E-05    0.148608E+03 -0.332828E-07 0.100000E-04    0.996267E+00
  60    0.806968E-05    0.142578E+03 -0.565984E-07 0.100000E-04    0.994884E+00
  61    0.613110E-05    0.136910E+03 -0.447821E-07 0.100000E-04    0.989859E+00
  62   -0.184974E-04    0.134720E+03  0.137303E-06 0.100000E-04    0.993482E+00
  63    0.118752E-04    0.131008E+03 -0.906445E-07 0.100000E-04    0.991638E+00
  64    0.250024E-05    0.127686E+03 -0.195811E-07 0.100000E-04    0.987761E+00
  65    0.143527E-05    0.125733E+03 -0.114152E-07 0.100000E-04    0.998651E+00
  66   -0.128720E-04    0.124601E+03  0.103305E-06 0.100000E-04    0.991770E+00
  67   -0.978086E-06    0.119424E+03  0.819003E-08 0.100000E-04    0.997351E+00
  68   -0.348112E-05    0.117956E+03  0.295121E-07 0.100000E-04    0.990821E+00
  69    0.317322E-06    0.116406E+03 -0.272600E-08 0.100000E-04    0.934723E+00
  70   -0.603566E-05    0.112613E+03  0.535964E-07 0.100000E-04    0.989852E+00
  71    0.469449E-07    0.110161E+03 -0.426148E-09 0.100000E-04    0.518860E+00
  72    0.158944E-04    0.105553E+03 -0.150582E-06 0.100000E-04    0.989546E+00
  73   -0.580094E-05    0.102826E+03  0.564152E-07 0.100000E-04    0.986630E+00
  74    0.187498E-04    0.100493E+03 -0.186578E-06 0.100000E-04    0.992268E+00
  75    0.119336E-04    0.972165E+02 -0.122753E-06 0.100000E-04    0.989714E+00
  76   -0.152616E-04    0.950463E+02  0.160570E-06 0.100000E-04    0.991922E+00
  77    0.412923E-06    0.912878E+02 -0.452331E-08 0.100000E-04    0.986162E+00
  78    0.282014E-04    0.906230E+02 -0.311194E-06 0.100000E-04    0.992454E+00
  79    0.285144E-04    0.882068E+02 -0.323267E-06 0.100000E-04    0.995158E+00
  80    0.693319E-05    0.844726E+02 -0.820762E-07 0.100000E-04    0.990250E+00
  81   -0.844142E-05    0.808856E+02  0.104362E-06 0.100000E-04    0.990952E+00
  82   -0.142182E-04    0.791046E+02  0.179739E-06 0.100000E-04    0.994784E+00
  83    0.800649E-05    0.786961E+02 -0.101739E-06 0.100000E-04    0.997249E+00
  84   -0.104220E-04    0.730132E+02  0.142742E-06 0.100000E-04    0.987948E+00
  85   -0.202028E-04    0.713460E+02  0.283166E-06 0.100000E-04    0.991672E+00
  86   -0.258741E-04    0.693629E+02  0.373026E-06 0.100000E-04    0.993384E+00
  87   -0.550724E-05    0.676881E+02  0.813619E-07 0.100000E-04    0.994517E+00
  88   -0.620261E-07    0.635140E+02  0.976574E-09 0.100000E-04    0.518440E+00
  89   -0.227752E-04    0.622190E+02  0.366049E-06 0.100000E-04    0.991913E+00
  90   -0.107074E-04    0.596596E+02  0.179474E-06 0.100000E-04    0.988379E+00
  91   -0.920278E-06    0.585865E+02  0.157080E-07 0.100000E-04    0.983685E+00
  92    0.247468E-04    0.558240E+02 -0.443300E-06 0.100000E-04    0.991344E+00
  93   -0.314560E-04    0.536335E+02  0.586499E-06 0.100000E-04    0.994041E+00
  94    0.145789E-04    0.523004E+02 -0.278753E-06 0.100000E-04    0.987698E+00
  95    0.298855E-04    0.503025E+02 -0.594115E-06 0.100000E-04    0.995043E+00
  96   -0.826676E-05    0.480151E+02  0.172170E-06 0.100000E-04    0.997489E+00
  97    0.182049E-04    0.436331E+02 -0.417228E-06 0.100000E-04    0.991108E+00
  98   -0.131309E-04    0.398255E+02  0.329712E-06 0.100000E-04    0.993199E+00
  99   -0.251386E-04    0.374625E+02  0.671034E-06 0.100000E-04    0.982649E+00
 100   -0.295959E-04    0.361898E+02  0.817797E-06 0.100000E-04    0.994669E+00
 101   -0.859433E-04    0.347874E+02  0.247053E-05 0.100000E-04    0.993618E+00
 102    0.354696E-04    0.295124E+02 -0.120186E-05 0.100000E-04    0.989710E+00
 103   -0.282277E-04    0.289803E+02  0.974029E-06 0.100000E-04    0.993297E+00
 104    0.371577E-04    0.287165E+02 -0.129395E-05 0.100000E-04    0.993283E+00
 105    0.175199E-04    0.234194E+02 -0.748096E-06 0.100000E-04    0.989694E+00
 106    0.334310E-05    0.219019E+02 -0.152640E-06 0.100000E-04    0.951585E+00
 107   -0.863029E-04    0.195847E+02  0.440666E-05 0.100000E-04    0.991637E+00
 108   -0.839749E-04    0.166405E+02  0.504643E-05 0.100000E-04    0.999307E+00
 109    0.624174E-04    0.138609E+02 -0.450314E-05 0.100000E-04    0.995727E+00
 110   -0.516216E-04    0.125903E+02  0.410012E-05 0.100000E-04    0.977924E+00
 111   -0.101837E-03    0.114983E+02  0.885669E-05 0.100000E-04    0.995090E+00
 112    0.229410E-04    0.942192E+01 -0.243486E-05 0.100000E-04    0.983648E+00
 113    0.348138E-02    0.759240E+01 -0.116118E-04 0.116118E-04    0.466574E-01
 114   -0.235886E+00    0.481090E+01 -0.400000E-03 0.400000E-03    0.134273E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4891418580E-01

 Beginning of optimization cycle  104.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3971398978
 potential> RMS force:                                               0.0222752165   |gradient|=.2378342298    
 Eigenvalues of the Hessian matrix:
   719.73684    670.68178    623.46814    603.42715    589.67347    564.15351 
   561.74144    478.18486    470.21306    463.33546    441.50535    431.67056 
   420.39003    405.73007    398.36124    388.39978    366.95710    363.91704 
   352.64683    343.39670    324.14629    322.87523    318.64751    316.74674 
   305.34653    287.33766    279.92682    271.50520    265.76984    262.14956 
   257.69976    253.39919    243.99214    239.42147    234.28299    228.50885 
   224.62174    212.75254    211.17483    209.79897    202.91829    198.55316 
   195.36278    191.63322    186.36821    178.11545    170.70870    168.11799 
   165.74385    160.59033    153.70093    151.04682    148.61470    142.58223 
   136.91025    134.72445    131.00756    127.68582    125.73686    124.60869 
   119.42413    117.95494    116.40954    112.60608    110.15303    105.54917 
   102.82604    100.48877     97.21548     95.04719     91.28145     90.62894 
    88.21843     84.47378     80.88538     79.10786     78.69432     73.01028 
    71.34904     69.35402     67.69153     63.51118     62.21319     59.65946 
    58.58960     55.82411     53.63149     52.29900     50.30262     48.01440 
    43.62850     39.82835     37.45488     36.19110     34.79433     29.50311 
    28.97903     28.71689     23.41417     21.90278     19.58481     16.64336 
    13.85930     12.58638     11.48882      9.42382      7.59311      4.81138 
overlap for current and previous eigenvector    109 is         0.9999963057
overlap for current and previous eigenvector    110 is         0.9999918426
overlap for current and previous eigenvector    111 is         0.9999887649
overlap for current and previous eigenvector    112 is         0.9999995605
overlap for current and previous eigenvector    113 is         0.9999992608
overlap for current and previous eigenvector    114 is         0.9999993088
J1,K1,R1,R2,RAT=   7   7    0.6937493822E-01     1.930459937        0.9304599369    
FOB,PFOB,DIAG,PSTEP=    0.7425757679E-07    0.7979371813E-07     719.7368447       -0.1108742830E-09
J1,K1,R1,R2,RAT=   8   8   -0.2928876948E-01     2.029236205        0.9707112305    
FOB,PFOB,DIAG,PSTEP=   -0.7813805957E-06   -0.7591455717E-06     670.6817777        0.1131931043E-08
J1,K1,R1,R2,RAT=   9   9   -0.1425281976E-01     2.014181630        0.9857471802    
FOB,PFOB,DIAG,PSTEP=    0.6496126026E-06    0.6404835806E-06     623.4681431       -0.1027328159E-08
J1,K1,R1,R2,RAT=  10  10    0.4360101555E-03     1.999510934        0.9995109343    
FOB,PFOB,DIAG,PSTEP=    0.1352447075E-05    0.1353037029E-05     603.4271519       -0.2242313622E-08
J1,K1,R1,R2,RAT=  11  11   -0.1363785152E-03     2.000135125        0.9998636215    
FOB,PFOB,DIAG,PSTEP=   -0.9534796729E-06   -0.9533496564E-06     589.6734744        0.1616742647E-08
J1,K1,R1,R2,RAT= 109 109   -0.4558391400E-02     2.004782817        0.9954416086    
FOB,PFOB,DIAG,PSTEP=    0.6270187525E-04    0.6241738431E-04     13.85929713       -0.4503141861E-05
J1,K1,R1,R2,RAT= 110 110   -0.1416118701E-01     2.014777669        0.9858388130    
FOB,PFOB,DIAG,PSTEP=   -0.5235241165E-04   -0.5162161359E-04     12.58638360        0.4100121865E-05
J1,K1,R1,R2,RAT= 111 111   -0.8323348773E-02     2.009978964        0.9916766512    
FOB,PFOB,DIAG,PSTEP=   -0.1026840591E-03   -0.1018371342E-03     11.48881766        0.8856690511E-05
J1,K1,R1,R2,RAT= 112 112    0.5279267054E-02     1.994318991        0.9943189912    
FOB,PFOB,DIAG,PSTEP=    0.2281990543E-04    0.2294104165E-04     9.423816919       -0.2434857443E-05
J1,K1,R1,R2,RAT= 113 113   -0.7960243902         79.76588449        0.2039756098    
FOB,PFOB,DIAG,PSTEP=    0.3551565164E-02    0.3481379823E-02     7.593105364       -0.1161182839E-04
J1,K1,R1,R2,RAT= 114 114    0.9986432379        -246.1319325        0.1356762108E-02
FOB,PFOB,DIAG,PSTEP=   -0.2378075938       -0.2358856548         4.811375386       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001     -0.00001     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
     0.00001      0.00002     -0.00001     -0.00000     -0.00000      0.00001 
     0.00000     -0.00000     -0.00000      0.00001     -0.00000      0.00002 
     0.00001      0.00002     -0.00001     -0.00002     -0.00000      0.00003 
    -0.00003      0.00001      0.00001     -0.00001      0.00001     -0.00001 
     0.00002     -0.00003     -0.00001      0.00000      0.00002     -0.00001 
    -0.00000     -0.00003      0.00003     -0.00001     -0.00003      0.00001 
    -0.00002     -0.00001     -0.00003     -0.00003      0.00009     -0.00004 
     0.00003     -0.00004     -0.00002     -0.00000      0.00009     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00355     -0.23781 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4374368480
 Log product of positive Hessian eigenvalues =          520.4301933764
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8113753857
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000012
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000022
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000049
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000027
 Unscaled step for mode   17=       -0.0000000025
 Unscaled step for mode   18=       -0.0000000072
 Unscaled step for mode   19=       -0.0000000152
 Unscaled step for mode   20=       -0.0000000191
 Unscaled step for mode   21=       -0.0000000111
 Unscaled step for mode   22=        0.0000000007
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000219
 Unscaled step for mode   26=        0.0000000340
 Unscaled step for mode   27=        0.0000000195
 Unscaled step for mode   28=        0.0000000166
 Unscaled step for mode   29=        0.0000000223
 Unscaled step for mode   30=        0.0000000171
 Unscaled step for mode   31=        0.0000000061
 Unscaled step for mode   32=        0.0000000008
 Unscaled step for mode   33=       -0.0000000143
 Unscaled step for mode   34=       -0.0000000067
 Unscaled step for mode   35=       -0.0000000442
 Unscaled step for mode   36=       -0.0000000077
 Unscaled step for mode   37=        0.0000000198
 Unscaled step for mode   38=        0.0000000109
 Unscaled step for mode   39=        0.0000000353
 Unscaled step for mode   40=       -0.0000000163
 Unscaled step for mode   41=       -0.0000000210
 Unscaled step for mode   42=        0.0000000098
 Unscaled step for mode   43=       -0.0000000082
 Unscaled step for mode   44=        0.0000000100
 Unscaled step for mode   45=       -0.0000000166
 Unscaled step for mode   46=       -0.0000000233
 Unscaled step for mode   47=        0.0000000610
 Unscaled step for mode   48=        0.0000000047
 Unscaled step for mode   49=       -0.0000000339
 Unscaled step for mode   50=        0.0000000264
 Unscaled step for mode   51=        0.0000000259
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000302
 Unscaled step for mode   54=       -0.0000000143
 Unscaled step for mode   55=        0.0000000596
 Unscaled step for mode   56=        0.0000000223
 Unscaled step for mode   57=        0.0000000105
 Unscaled step for mode   58=        0.0000000514
 Unscaled step for mode   59=        0.0000000336
 Unscaled step for mode   60=        0.0000000572
 Unscaled step for mode   61=       -0.0000000451
 Unscaled step for mode   62=       -0.0000001381
 Unscaled step for mode   63=        0.0000000911
 Unscaled step for mode   64=        0.0000000199
 Unscaled step for mode   65=        0.0000000112
 Unscaled step for mode   66=       -0.0000001040
 Unscaled step for mode   67=       -0.0000000083
 Unscaled step for mode   68=        0.0000000298
 Unscaled step for mode   69=        0.0000000026
 Unscaled step for mode   70=       -0.0000000544
 Unscaled step for mode   71=        0.0000000005
 Unscaled step for mode   72=       -0.0000001517
 Unscaled step for mode   73=       -0.0000000572
 Unscaled step for mode   74=       -0.0000001877
 Unscaled step for mode   75=        0.0000001244
 Unscaled step for mode   76=        0.0000001619
 Unscaled step for mode   77=        0.0000000049
 Unscaled step for mode   78=       -0.0000003143
 Unscaled step for mode   79=        0.0000003246
 Unscaled step for mode   80=       -0.0000000830
 Unscaled step for mode   81=       -0.0000001052
 Unscaled step for mode   82=        0.0000001803
 Unscaled step for mode   83=       -0.0000001020
 Unscaled step for mode   84=        0.0000001439
 Unscaled step for mode   85=       -0.0000002848
 Unscaled step for mode   86=        0.0000003755
 Unscaled step for mode   87=        0.0000000803
 Unscaled step for mode   88=       -0.0000000008
 Unscaled step for mode   89=       -0.0000003686
 Unscaled step for mode   90=        0.0000001804
 Unscaled step for mode   91=        0.0000000154
 Unscaled step for mode   92=        0.0000004480
 Unscaled step for mode   93=       -0.0000005888
 Unscaled step for mode   94=        0.0000002809
 Unscaled step for mode   95=        0.0000005962
 Unscaled step for mode   96=       -0.0000001733
 Unscaled step for mode   97=        0.0000004199
 Unscaled step for mode   98=        0.0000003320
 Unscaled step for mode   99=        0.0000006789
 Unscaled step for mode  100=        0.0000008203
 Unscaled step for mode  101=       -0.0000024855
 Unscaled step for mode  102=        0.0000012079
 Unscaled step for mode  103=       -0.0000009792
 Unscaled step for mode  104=        0.0000012974
 Unscaled step for mode  105=        0.0000007582
 Unscaled step for mode  106=        0.0000001438
 Unscaled step for mode  107=       -0.0000044324
 Unscaled step for mode  108=        0.0000050492
 Unscaled step for mode  109=       -0.0000045242
 Unscaled step for mode  110=        0.0000041594
 Unscaled step for mode  111=        0.0000089377
 Unscaled step for mode  112=       -0.0000024215
 Unscaled step for mode  113=       -0.0004677354
 Unscaled step for mode  114=       -0.0493059564
 Largest modulus ratio of non-zero e/values=           149.5906653    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.919403E-16    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.146584E-15    0.100767E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.561605E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.164365E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.336049E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.379457E-15    0.973523E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.742576E-07    0.719737E+03 -0.103173E-09 0.100000E-04    0.930460E+00
   8   -0.781381E-06    0.670682E+03  0.116505E-08 0.100000E-04    0.970711E+00
   9    0.649613E-06    0.623468E+03 -0.104193E-08 0.100000E-04    0.985747E+00
  10    0.135245E-05    0.603427E+03 -0.224128E-08 0.100000E-04    0.999511E+00
  11   -0.953480E-06    0.589673E+03  0.161696E-08 0.100000E-04    0.999864E+00
  12    0.274505E-05    0.564154E+03 -0.486579E-08 0.100000E-04    0.994210E+00
  13    0.188719E-05    0.561741E+03 -0.335954E-08 0.100000E-04    0.990657E+00
  14   -0.545196E-05    0.478185E+03  0.114014E-07 0.100000E-04    0.998207E+00
  15    0.165187E-05    0.470213E+03 -0.351302E-08 0.100000E-04    0.993578E+00
  16    0.123856E-05    0.463335E+03 -0.267315E-08 0.100000E-04    0.991902E+00
  17    0.111153E-05    0.441505E+03 -0.251760E-08 0.100000E-04    0.994503E+00
  18    0.311935E-05    0.431671E+03 -0.722624E-08 0.100000E-04    0.993873E+00
  19    0.638073E-05    0.420390E+03 -0.151781E-07 0.100000E-04    0.993434E+00
  20    0.774331E-05    0.405730E+03 -0.190849E-07 0.100000E-04    0.997408E+00
  21    0.442960E-05    0.398361E+03 -0.111196E-07 0.100000E-04    0.994006E+00
  22   -0.264335E-06    0.388400E+03  0.680574E-09 0.100000E-04    0.944828E+00
  23   -0.194302E-05    0.366957E+03  0.529496E-08 0.100000E-04    0.997752E+00
  24    0.189118E-05    0.363917E+03 -0.519674E-08 0.100000E-04    0.999022E+00
  25   -0.773712E-05    0.352647E+03  0.219401E-07 0.100000E-04    0.992702E+00
  26   -0.116770E-04    0.343397E+03  0.340043E-07 0.100000E-04    0.991835E+00
  27   -0.631402E-05    0.324146E+03  0.194789E-07 0.100000E-04    0.993218E+00
  28   -0.534448E-05    0.322875E+03  0.165528E-07 0.100000E-04    0.999657E+00
  29   -0.710427E-05    0.318648E+03  0.222951E-07 0.100000E-04    0.989097E+00
  30   -0.542390E-05    0.316747E+03  0.171238E-07 0.100000E-04    0.985999E+00
  31   -0.185804E-05    0.305347E+03  0.608503E-08 0.100000E-04    0.980789E+00
  32   -0.217603E-06    0.287338E+03  0.757309E-09 0.100000E-04    0.940702E+00
  33    0.401011E-05    0.279927E+03 -0.143256E-07 0.100000E-04    0.993317E+00
  34    0.181898E-05    0.271505E+03 -0.669960E-08 0.100000E-04    0.995029E+00
  35    0.117499E-04    0.265770E+03 -0.442109E-07 0.100000E-04    0.991902E+00
  36    0.201497E-05    0.262150E+03 -0.768632E-08 0.100000E-04    0.986767E+00
  37   -0.510629E-05    0.257700E+03  0.198149E-07 0.100000E-04    0.990773E+00
  38   -0.275539E-05    0.253399E+03  0.108737E-07 0.100000E-04    0.991660E+00
  39   -0.861844E-05    0.243992E+03  0.353226E-07 0.100000E-04    0.992893E+00
  40    0.391002E-05    0.239421E+03 -0.163311E-07 0.100000E-04    0.982472E+00
  41    0.490898E-05    0.234283E+03 -0.209532E-07 0.100000E-04    0.985787E+00
  42   -0.223858E-05    0.228509E+03  0.979648E-08 0.100000E-04    0.987183E+00
  43    0.184817E-05    0.224622E+03 -0.822792E-08 0.100000E-04    0.984566E+00
  44   -0.213770E-05    0.212753E+03  0.100478E-07 0.100000E-04    0.963716E+00
  45    0.349807E-05    0.211175E+03 -0.165648E-07 0.100000E-04    0.996566E+00
  46    0.489515E-05    0.209799E+03 -0.233326E-07 0.100000E-04    0.983683E+00
  47   -0.123780E-04    0.202918E+03  0.609998E-07 0.100000E-04    0.990407E+00
  48   -0.932623E-06    0.198553E+03  0.469709E-08 0.100000E-04    0.988160E+00
  49    0.662024E-05    0.195363E+03 -0.338869E-07 0.100000E-04    0.988863E+00
  50   -0.506027E-05    0.191633E+03  0.264060E-07 0.100000E-04    0.995505E+00
  51   -0.483331E-05    0.186368E+03  0.259342E-07 0.100000E-04    0.989981E+00
  52    0.425122E-06    0.178115E+03 -0.238678E-08 0.100000E-04    0.993222E+00
  53   -0.514751E-05    0.170709E+03  0.301538E-07 0.100000E-04    0.992088E+00
  54    0.239823E-05    0.168118E+03 -0.142651E-07 0.100000E-04    0.982270E+00
  55   -0.987317E-05    0.165744E+03  0.595688E-07 0.100000E-04    0.992366E+00
  56   -0.358861E-05    0.160590E+03  0.223464E-07 0.100000E-04    0.995986E+00
  57   -0.161517E-05    0.153701E+03  0.105085E-07 0.100000E-04    0.988064E+00
  58   -0.776042E-05    0.151047E+03  0.513776E-07 0.100000E-04    0.993313E+00
  59   -0.499689E-05    0.148615E+03  0.336231E-07 0.100000E-04    0.989728E+00
  60   -0.815564E-05    0.142582E+03  0.571995E-07 0.100000E-04    0.989349E+00
  61    0.617603E-05    0.136910E+03 -0.451100E-07 0.100000E-04    0.992672E+00
  62    0.186098E-04    0.134724E+03 -0.138133E-06 0.100000E-04    0.993923E+00
  63   -0.119410E-04    0.131008E+03  0.911474E-07 0.100000E-04    0.994459E+00
  64   -0.253883E-05    0.127686E+03  0.198834E-07 0.100000E-04    0.984566E+00
  65   -0.141305E-05    0.125737E+03  0.112382E-07 0.100000E-04    0.984466E+00
  66    0.129607E-04    0.124609E+03 -0.104011E-06 0.100000E-04    0.993114E+00
  67    0.993281E-06    0.119424E+03 -0.831725E-08 0.100000E-04    0.984464E+00
  68   -0.350986E-05    0.117955E+03  0.297559E-07 0.100000E-04    0.991744E+00
  69   -0.303915E-06    0.116410E+03  0.261074E-08 0.100000E-04    0.957684E+00
  70    0.612245E-05    0.112606E+03 -0.543705E-07 0.100000E-04    0.985620E+00
  71   -0.536630E-07    0.110153E+03  0.487168E-09 0.100000E-04    0.856884E+00
  72    0.160131E-04    0.105549E+03 -0.151712E-06 0.100000E-04    0.992536E+00
  73    0.588624E-05    0.102826E+03 -0.572446E-07 0.100000E-04    0.985296E+00
  74    0.188633E-04    0.100489E+03 -0.187716E-06 0.100000E-04    0.993944E+00
  75   -0.120890E-04    0.972155E+02  0.124352E-06 0.100000E-04    0.986979E+00
  76   -0.153904E-04    0.950472E+02  0.161924E-06 0.100000E-04    0.991561E+00
  77   -0.446129E-06    0.912814E+02  0.488740E-08 0.100000E-04    0.919578E+00
  78    0.284815E-04    0.906289E+02 -0.314265E-06 0.100000E-04    0.990066E+00
  79   -0.286326E-04    0.882184E+02  0.324565E-06 0.100000E-04    0.995854E+00
  80    0.701012E-05    0.844738E+02 -0.829857E-07 0.100000E-04    0.988904E+00
  81    0.850520E-05    0.808854E+02 -0.105151E-06 0.100000E-04    0.992445E+00
  82   -0.142656E-04    0.791079E+02  0.180331E-06 0.100000E-04    0.996664E+00
  83    0.803029E-05    0.786943E+02 -0.102044E-06 0.100000E-04    0.997027E+00
  84   -0.105088E-04    0.730103E+02  0.143935E-06 0.100000E-04    0.991680E+00
  85    0.203230E-04    0.713490E+02 -0.284839E-06 0.100000E-04    0.994049E+00
  86   -0.260411E-04    0.693540E+02  0.375481E-06 0.100000E-04    0.993544E+00
  87   -0.543595E-05    0.676915E+02  0.803047E-07 0.100000E-04    0.986955E+00
  88    0.499357E-07    0.635112E+02 -0.786251E-09 0.100000E-04    0.805067E+00
  89    0.229307E-04    0.622132E+02 -0.368583E-06 0.100000E-04    0.993173E+00
  90   -0.107648E-04    0.596595E+02  0.180438E-06 0.100000E-04    0.994635E+00
  91   -0.901840E-06    0.585896E+02  0.153925E-07 0.100000E-04    0.979859E+00
  92   -0.250078E-04    0.558241E+02  0.447975E-06 0.100000E-04    0.989453E+00
  93    0.315787E-04    0.536315E+02 -0.588808E-06 0.100000E-04    0.996101E+00
  94   -0.146933E-04    0.522990E+02  0.280947E-06 0.100000E-04    0.992154E+00
  95   -0.299890E-04    0.503026E+02  0.596172E-06 0.100000E-04    0.996534E+00
  96    0.832161E-05    0.480144E+02 -0.173315E-06 0.100000E-04    0.993365E+00
  97   -0.183204E-04    0.436285E+02  0.419919E-06 0.100000E-04    0.993655E+00
  98   -0.132214E-04    0.398283E+02  0.331958E-06 0.100000E-04    0.993115E+00
  99   -0.254280E-04    0.374549E+02  0.678897E-06 0.100000E-04    0.988487E+00
 100   -0.296885E-04    0.361911E+02  0.820326E-06 0.100000E-04    0.996873E+00
 101    0.864813E-04    0.347943E+02 -0.248550E-05 0.100000E-04    0.993742E+00
 102   -0.356354E-04    0.295031E+02  0.120785E-05 0.100000E-04    0.995324E+00
 103    0.283761E-04    0.289790E+02 -0.979196E-06 0.100000E-04    0.994740E+00
 104   -0.372566E-04    0.287169E+02  0.129737E-05 0.100000E-04    0.997339E+00
 105   -0.177524E-04    0.234142E+02  0.758190E-06 0.100000E-04    0.986730E+00
 106   -0.315000E-05    0.219028E+02  0.143817E-06 0.100000E-04    0.942162E+00
 107    0.868077E-04    0.195848E+02 -0.443240E-05 0.100000E-04    0.994151E+00
 108   -0.840362E-04    0.166434E+02  0.504923E-05 0.100000E-04    0.999270E+00
 109    0.627019E-04    0.138593E+02 -0.452417E-05 0.100000E-04    0.995442E+00
 110   -0.523524E-04    0.125864E+02  0.415945E-05 0.100000E-04    0.985839E+00
 111   -0.102684E-03    0.114888E+02  0.893774E-05 0.100000E-04    0.991677E+00
 112    0.228199E-04    0.942382E+01 -0.242151E-05 0.100000E-04    0.994319E+00
 113    0.355157E-02    0.759311E+01 -0.104611E-04 0.104611E-04    0.203976E+00
 114   -0.237808E+00    0.481138E+01 -0.400000E-03 0.400000E-03    0.135676E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4930595644E-01

 Beginning of optimization cycle  105.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3970444280
 potential> RMS force:                                               0.0224553276   |gradient|=.2397572897    
 Eigenvalues of the Hessian matrix:
   719.79634    670.69943    623.49030    603.44290    589.67386    564.17474 
   561.77990    478.20088    470.19064    463.32393    441.50252    431.65997 
   420.39778    405.74086    398.35758    388.40433    366.95839    363.90663 
   352.63704    343.35659    324.15177    322.85251    318.63782    316.76348 
   305.34445    287.33968    279.92303    271.49838    265.76930    262.15732 
   257.70223    253.40048    243.97818    239.41002    234.29364    228.51154 
   224.60314    212.74907    211.17849    209.78954    202.92058    198.54832 
   195.36571    191.63245    186.36260    178.10066    170.71058    168.11645 
   165.74257    160.58704    153.69590    151.04609    148.62153    142.58648 
   136.91079    134.72905    131.00673    127.68517    125.74038    124.61593 
   119.42443    117.95438    116.41341    112.59892    110.14501    105.54530 
   102.82625    100.48440     97.21443     95.04810     91.27512     90.63493 
    88.23001     84.47500     80.88519     79.11117     78.69254     73.00742 
    71.35217     69.34519     67.69496     63.50840     62.20732     59.65936 
    58.59272     55.82422     53.62945     52.29763     50.30276     48.01370 
    43.62395     39.83126     37.44726     36.19242     34.80136     29.49390 
    28.97775     28.71730     23.40894     21.90362     19.58505     16.64623 
    13.85777     12.58253     11.47926      9.42570      7.59382      4.81182 
overlap for current and previous eigenvector    109 is         0.9999963648
overlap for current and previous eigenvector    110 is         0.9999919707
overlap for current and previous eigenvector    111 is         0.9999889089
overlap for current and previous eigenvector    112 is         0.9999995565
overlap for current and previous eigenvector    113 is         0.9999992557
overlap for current and previous eigenvector    114 is         0.9999993116
J1,K1,R1,R2,RAT=   7   7    0.1243279161         1.875506770        0.8755067698    
FOB,PFOB,DIAG,PSTEP=    0.6502452383E-07    0.7425757679E-07     719.7963410       -0.1031732325E-09
J1,K1,R1,R2,RAT=   8   8   -0.3040732388E-02     2.002988087        0.9969592676    
FOB,PFOB,DIAG,PSTEP=   -0.7837566276E-06   -0.7813805957E-06     670.6994323        0.1165054161E-08
J1,K1,R1,R2,RAT=   9   9    0.6483477692E-02     1.993445461        0.9934454606    
FOB,PFOB,DIAG,PSTEP=    0.6454007041E-06    0.6496126026E-06     623.4902962       -0.1041933914E-08
J1,K1,R1,R2,RAT=  10  10   -0.7020738064E-02     2.006968534        0.9929792619    
FOB,PFOB,DIAG,PSTEP=    0.1361942499E-05    0.1352447075E-05     603.4429029       -0.2241276467E-08
J1,K1,R1,R2,RAT=  11  11   -0.3170679880E-02     2.003169358        0.9968293201    
FOB,PFOB,DIAG,PSTEP=   -0.9565028537E-06   -0.9534796729E-06     589.6738642        0.1616962123E-08
J1,K1,R1,R2,RAT= 109 109   -0.4163315204E-02     2.004384285        0.9958366848    
FOB,PFOB,DIAG,PSTEP=    0.6296289409E-04    0.6270187525E-04     13.85776606       -0.4524174254E-05
J1,K1,R1,R2,RAT= 110 110   -0.2147756281E-01     2.022089307        0.9785224372    
FOB,PFOB,DIAG,PSTEP=   -0.5347647004E-04   -0.5235241165E-04     12.58253495        0.4159448283E-05
J1,K1,R1,R2,RAT= 111 111   -0.4707194370E-02     2.006372559        0.9952928056    
FOB,PFOB,DIAG,PSTEP=   -0.1031670108E-03   -0.1026840591E-03     11.47925909        0.8937739472E-05
J1,K1,R1,R2,RAT= 112 112    0.1666493509E-01     1.982935052        0.9829350524    
FOB,PFOB,DIAG,PSTEP=    0.2243953711E-04    0.2281990543E-04     9.425702119       -0.2421514088E-05
J1,K1,R1,R2,RAT= 113 113    -1.004464708         90.41977626        0.4464708422E-02
FOB,PFOB,DIAG,PSTEP=    0.3631359593E-02    0.3551565164E-02     7.593819308       -0.1046110666E-04
J1,K1,R1,R2,RAT= 114 114    0.9986221097        -248.1062671        0.1377890315E-02
FOB,PFOB,DIAG,PSTEP=   -0.2397296705       -0.2378075938         4.811821866       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00001      0.00001     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
     0.00001      0.00002     -0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000     -0.00001     -0.00000      0.00002 
     0.00001      0.00002     -0.00001      0.00002     -0.00000      0.00003 
    -0.00003      0.00001      0.00001      0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001     -0.00000      0.00002     -0.00001 
    -0.00000     -0.00003      0.00003     -0.00001      0.00003      0.00001 
    -0.00002     -0.00001     -0.00003     -0.00003      0.00009     -0.00004 
     0.00003     -0.00004     -0.00002     -0.00000      0.00009     -0.00008 
     0.00006     -0.00005     -0.00010      0.00002      0.00363     -0.23973 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4374771395
 Log product of positive Hessian eigenvalues =          520.4286266056
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8118218660
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000012
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000049
 Unscaled step for mode   13=       -0.0000000034
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000027
 Unscaled step for mode   17=       -0.0000000026
 Unscaled step for mode   18=       -0.0000000073
 Unscaled step for mode   19=       -0.0000000153
 Unscaled step for mode   20=       -0.0000000192
 Unscaled step for mode   21=       -0.0000000112
 Unscaled step for mode   22=        0.0000000006
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000221
 Unscaled step for mode   26=        0.0000000343
 Unscaled step for mode   27=        0.0000000196
 Unscaled step for mode   28=        0.0000000165
 Unscaled step for mode   29=        0.0000000225
 Unscaled step for mode   30=        0.0000000174
 Unscaled step for mode   31=        0.0000000061
 Unscaled step for mode   32=        0.0000000008
 Unscaled step for mode   33=       -0.0000000144
 Unscaled step for mode   34=       -0.0000000068
 Unscaled step for mode   35=       -0.0000000445
 Unscaled step for mode   36=       -0.0000000078
 Unscaled step for mode   37=        0.0000000200
 Unscaled step for mode   38=        0.0000000109
 Unscaled step for mode   39=        0.0000000356
 Unscaled step for mode   40=       -0.0000000166
 Unscaled step for mode   41=       -0.0000000213
 Unscaled step for mode   42=        0.0000000099
 Unscaled step for mode   43=       -0.0000000083
 Unscaled step for mode   44=        0.0000000102
 Unscaled step for mode   45=       -0.0000000166
 Unscaled step for mode   46=       -0.0000000236
 Unscaled step for mode   47=        0.0000000614
 Unscaled step for mode   48=        0.0000000046
 Unscaled step for mode   49=       -0.0000000342
 Unscaled step for mode   50=       -0.0000000267
 Unscaled step for mode   51=        0.0000000261
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000303
 Unscaled step for mode   54=       -0.0000000144
 Unscaled step for mode   55=        0.0000000599
 Unscaled step for mode   56=        0.0000000226
 Unscaled step for mode   57=        0.0000000105
 Unscaled step for mode   58=        0.0000000518
 Unscaled step for mode   59=        0.0000000337
 Unscaled step for mode   60=        0.0000000575
 Unscaled step for mode   61=       -0.0000000456
 Unscaled step for mode   62=       -0.0000001390
 Unscaled step for mode   63=        0.0000000919
 Unscaled step for mode   64=       -0.0000000201
 Unscaled step for mode   65=        0.0000000112
 Unscaled step for mode   66=        0.0000001048
 Unscaled step for mode   67=       -0.0000000083
 Unscaled step for mode   68=       -0.0000000300
 Unscaled step for mode   69=       -0.0000000024
 Unscaled step for mode   70=        0.0000000549
 Unscaled step for mode   71=        0.0000000006
 Unscaled step for mode   72=       -0.0000001533
 Unscaled step for mode   73=       -0.0000000580
 Unscaled step for mode   74=       -0.0000001891
 Unscaled step for mode   75=        0.0000001256
 Unscaled step for mode   76=       -0.0000001632
 Unscaled step for mode   77=        0.0000000048
 Unscaled step for mode   78=       -0.0000003166
 Unscaled step for mode   79=        0.0000003260
 Unscaled step for mode   80=       -0.0000000838
 Unscaled step for mode   81=       -0.0000001061
 Unscaled step for mode   82=       -0.0000001812
 Unscaled step for mode   83=       -0.0000001018
 Unscaled step for mode   84=        0.0000001457
 Unscaled step for mode   85=        0.0000002872
 Unscaled step for mode   86=        0.0000003780
 Unscaled step for mode   87=        0.0000000798
 Unscaled step for mode   88=        0.0000000001
 Unscaled step for mode   89=       -0.0000003715
 Unscaled step for mode   90=        0.0000001825
 Unscaled step for mode   91=        0.0000000151
 Unscaled step for mode   92=        0.0000004518
 Unscaled step for mode   93=       -0.0000005922
 Unscaled step for mode   94=        0.0000002844
 Unscaled step for mode   95=       -0.0000005990
 Unscaled step for mode   96=       -0.0000001737
 Unscaled step for mode   97=        0.0000004236
 Unscaled step for mode   98=        0.0000003342
 Unscaled step for mode   99=        0.0000006907
 Unscaled step for mode  100=        0.0000008244
 Unscaled step for mode  101=       -0.0000025005
 Unscaled step for mode  102=        0.0000012206
 Unscaled step for mode  103=       -0.0000009855
 Unscaled step for mode  104=        0.0000013058
 Unscaled step for mode  105=        0.0000007661
 Unscaled step for mode  106=        0.0000001508
 Unscaled step for mode  107=       -0.0000044684
 Unscaled step for mode  108=        0.0000050456
 Unscaled step for mode  109=       -0.0000045435
 Unscaled step for mode  110=        0.0000042501
 Unscaled step for mode  111=        0.0000089873
 Unscaled step for mode  112=       -0.0000023807
 Unscaled step for mode  113=       -0.0004781993
 Unscaled step for mode  114=       -0.0496979258
 Largest modulus ratio of non-zero e/values=           149.5891496    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.325261E-17    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.397577E-15    0.100767E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.866069E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.173039E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.321249E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.210335E-16    0.973524E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.650245E-07    0.719796E+03 -0.903374E-10 0.100000E-04    0.875507E+00
   8   -0.783757E-06    0.670699E+03  0.116857E-08 0.100000E-04    0.996959E+00
   9    0.645401E-06    0.623490E+03 -0.103514E-08 0.100000E-04    0.993445E+00
  10    0.136194E-05    0.603443E+03 -0.225695E-08 0.100000E-04    0.992979E+00
  11   -0.956503E-06    0.589674E+03  0.162209E-08 0.100000E-04    0.996829E+00
  12    0.274927E-05    0.564175E+03 -0.487308E-08 0.100000E-04    0.998465E+00
  13    0.188543E-05    0.561780E+03 -0.335618E-08 0.100000E-04    0.998931E+00
  14   -0.546633E-05    0.478201E+03  0.114310E-07 0.100000E-04    0.997365E+00
  15    0.164617E-05    0.470191E+03 -0.350106E-08 0.100000E-04    0.996549E+00
  16    0.125943E-05    0.463324E+03 -0.271826E-08 0.100000E-04    0.983150E+00
  17    0.113446E-05    0.441503E+03 -0.256955E-08 0.100000E-04    0.979370E+00
  18    0.312979E-05    0.431660E+03 -0.725059E-08 0.100000E-04    0.996654E+00
  19    0.642696E-05    0.420398E+03 -0.152878E-07 0.100000E-04    0.992756E+00
  20    0.777481E-05    0.405741E+03 -0.191620E-07 0.100000E-04    0.995932E+00
  21    0.446184E-05    0.398358E+03 -0.112006E-07 0.100000E-04    0.992722E+00
  22   -0.244138E-06    0.388404E+03  0.628567E-09 0.100000E-04    0.923572E+00
  23   -0.194112E-05    0.366958E+03  0.528977E-08 0.100000E-04    0.999017E+00
  24    0.189178E-05    0.363907E+03 -0.519854E-08 0.100000E-04    0.999683E+00
  25   -0.778915E-05    0.352637E+03  0.220883E-07 0.100000E-04    0.993275E+00
  26   -0.117730E-04    0.343357E+03  0.342880E-07 0.100000E-04    0.991776E+00
  27   -0.634727E-05    0.324152E+03  0.195812E-07 0.100000E-04    0.994733E+00
  28   -0.533480E-05    0.322853E+03  0.165240E-07 0.100000E-04    0.998189E+00
  29   -0.715584E-05    0.318638E+03  0.224576E-07 0.100000E-04    0.992741E+00
  30   -0.550464E-05    0.316763E+03  0.173778E-07 0.100000E-04    0.985116E+00
  31   -0.187668E-05    0.305344E+03  0.614612E-08 0.100000E-04    0.989968E+00
  32   -0.236379E-06    0.287340E+03  0.822646E-09 0.100000E-04    0.913718E+00
  33    0.404401E-05    0.279923E+03 -0.144469E-07 0.100000E-04    0.991546E+00
  34    0.184581E-05    0.271498E+03 -0.679861E-08 0.100000E-04    0.985246E+00
  35    0.118255E-04    0.265769E+03 -0.444954E-07 0.100000E-04    0.993569E+00
  36    0.205047E-05    0.262157E+03 -0.782152E-08 0.100000E-04    0.982381E+00
  37   -0.514749E-05    0.257702E+03  0.199746E-07 0.100000E-04    0.991931E+00
  38   -0.276236E-05    0.253400E+03  0.109012E-07 0.100000E-04    0.997471E+00
  39   -0.868764E-05    0.243978E+03  0.356083E-07 0.100000E-04    0.991970E+00
  40    0.396606E-05    0.239410E+03 -0.165660E-07 0.100000E-04    0.985667E+00
  41    0.498080E-05    0.234294E+03 -0.212588E-07 0.100000E-04    0.985370E+00
  42   -0.226382E-05    0.228512E+03  0.990680E-08 0.100000E-04    0.988727E+00
  43    0.186166E-05    0.224603E+03 -0.828867E-08 0.100000E-04    0.992699E+00
  44   -0.216830E-05    0.212749E+03  0.101918E-07 0.100000E-04    0.985688E+00
  45    0.350715E-05    0.211178E+03 -0.166075E-07 0.100000E-04    0.997405E+00
  46    0.494567E-05    0.209790E+03 -0.235744E-07 0.100000E-04    0.989680E+00
  47   -0.124678E-04    0.202921E+03  0.614420E-07 0.100000E-04    0.992740E+00
  48   -0.920852E-06    0.198548E+03  0.463792E-08 0.100000E-04    0.987378E+00
  49    0.667833E-05    0.195366E+03 -0.341838E-07 0.100000E-04    0.991224E+00
  50    0.510942E-05    0.191632E+03 -0.266626E-07 0.100000E-04    0.990287E+00
  51   -0.486116E-05    0.186363E+03  0.260844E-07 0.100000E-04    0.994237E+00
  52    0.423043E-06    0.178101E+03 -0.237530E-08 0.100000E-04    0.995109E+00
  53   -0.517107E-05    0.170711E+03  0.302915E-07 0.100000E-04    0.995422E+00
  54    0.242672E-05    0.168116E+03 -0.144348E-07 0.100000E-04    0.988119E+00
  55   -0.993519E-05    0.165743E+03  0.599435E-07 0.100000E-04    0.993718E+00
  56   -0.362178E-05    0.160587E+03  0.225534E-07 0.100000E-04    0.990756E+00
  57   -0.162112E-05    0.153696E+03  0.105476E-07 0.100000E-04    0.996312E+00
  58   -0.782403E-05    0.151046E+03  0.517990E-07 0.100000E-04    0.991802E+00
  59   -0.501506E-05    0.148622E+03  0.337438E-07 0.100000E-04    0.996364E+00
  60   -0.819710E-05    0.142586E+03  0.574886E-07 0.100000E-04    0.994917E+00
  61    0.623803E-05    0.136911E+03 -0.455627E-07 0.100000E-04    0.989961E+00
  62    0.187291E-04    0.134729E+03 -0.139013E-06 0.100000E-04    0.993590E+00
  63   -0.120393E-04    0.131007E+03  0.918980E-07 0.100000E-04    0.991771E+00
  64    0.256988E-05    0.127685E+03 -0.201267E-07 0.100000E-04    0.987769E+00
  65   -0.141035E-05    0.125740E+03  0.112163E-07 0.100000E-04    0.998028E+00
  66   -0.130658E-04    0.124616E+03  0.104848E-06 0.100000E-04    0.991890E+00
  67    0.990812E-06    0.119424E+03 -0.829656E-08 0.100000E-04    0.997510E+00
  68    0.354165E-05    0.117954E+03 -0.300256E-07 0.100000E-04    0.990942E+00
  69    0.281325E-06    0.116413E+03 -0.241661E-08 0.100000E-04    0.925607E+00
  70   -0.618359E-05    0.112599E+03  0.549170E-07 0.100000E-04    0.990013E+00
  71   -0.692591E-07    0.110145E+03  0.628800E-09 0.100000E-04    0.709348E+00
  72    0.161783E-04    0.105545E+03 -0.153283E-06 0.100000E-04    0.989683E+00
  73    0.596368E-05    0.102826E+03 -0.579977E-07 0.100000E-04    0.986843E+00
  74    0.190063E-04    0.100484E+03 -0.189147E-06 0.100000E-04    0.992420E+00
  75   -0.122126E-04    0.972144E+02  0.125625E-06 0.100000E-04    0.989777E+00
  76    0.155127E-04    0.950481E+02 -0.163208E-06 0.100000E-04    0.992056E+00
  77   -0.442052E-06    0.912751E+02  0.484307E-08 0.100000E-04    0.990862E+00
  78    0.286939E-04    0.906349E+02 -0.316588E-06 0.100000E-04    0.992542E+00
  79   -0.287663E-04    0.882300E+02  0.326037E-06 0.100000E-04    0.995333E+00
  80    0.707741E-05    0.844750E+02 -0.837811E-07 0.100000E-04    0.990401E+00
  81    0.858073E-05    0.808852E+02 -0.106085E-06 0.100000E-04    0.991119E+00
  82    0.143356E-04    0.791112E+02 -0.181208E-06 0.100000E-04    0.995097E+00
  83    0.801053E-05    0.786925E+02 -0.101795E-06 0.100000E-04    0.997539E+00
  84   -0.106338E-04    0.730074E+02  0.145653E-06 0.100000E-04    0.988103E+00
  85   -0.204899E-04    0.713522E+02  0.287166E-06 0.100000E-04    0.991788E+00
  86   -0.262096E-04    0.693452E+02  0.377959E-06 0.100000E-04    0.993529E+00
  87   -0.540200E-05    0.676950E+02  0.797992E-07 0.100000E-04    0.993655E+00
  88   -0.799241E-08    0.635084E+02  0.125848E-09 0.109000E-04    0.160017E+00
  89    0.231130E-04    0.622073E+02 -0.371548E-06 0.100000E-04    0.992048E+00
  90   -0.108878E-04    0.596594E+02  0.182499E-06 0.100000E-04    0.988577E+00
  91   -0.886031E-06    0.585927E+02  0.151219E-07 0.100000E-04    0.982364E+00
  92   -0.252207E-04    0.558242E+02  0.451788E-06 0.100000E-04    0.991486E+00
  93    0.317617E-04    0.536294E+02 -0.592244E-06 0.100000E-04    0.994203E+00
  94   -0.148709E-04    0.522976E+02  0.284352E-06 0.100000E-04    0.987907E+00
  95    0.301333E-04    0.503028E+02 -0.599038E-06 0.100000E-04    0.995191E+00
  96    0.834180E-05    0.480137E+02 -0.173738E-06 0.100000E-04    0.997574E+00
  97   -0.184809E-04    0.436240E+02  0.423641E-06 0.100000E-04    0.991239E+00
  98   -0.133103E-04    0.398313E+02  0.334167E-06 0.100000E-04    0.993274E+00
  99   -0.258649E-04    0.374473E+02  0.690703E-06 0.100000E-04    0.982814E+00
 100   -0.298382E-04    0.361924E+02  0.824432E-06 0.100000E-04    0.994958E+00
 101    0.870199E-04    0.348014E+02 -0.250048E-05 0.100000E-04    0.993773E+00
 102   -0.360010E-04    0.294939E+02  0.122062E-05 0.100000E-04    0.989739E+00
 103    0.285586E-04    0.289778E+02 -0.985537E-06 0.100000E-04    0.993568E+00
 104   -0.375004E-04    0.287173E+02  0.130585E-05 0.100000E-04    0.993454E+00
 105   -0.179326E-04    0.234089E+02  0.766059E-06 0.100000E-04    0.989845E+00
 106   -0.330384E-05    0.219036E+02  0.150835E-06 0.100000E-04    0.951163E+00
 107    0.875138E-04    0.195850E+02 -0.446840E-05 0.100000E-04    0.991866E+00
 108   -0.839897E-04    0.166462E+02  0.504557E-05 0.100000E-04    0.999103E+00
 109    0.629629E-04    0.138578E+02 -0.454351E-05 0.100000E-04    0.995837E+00
 110   -0.534765E-04    0.125825E+02  0.425006E-05 0.100000E-04    0.978522E+00
 111   -0.103167E-03    0.114793E+02  0.898725E-05 0.100000E-04    0.995293E+00
 112    0.224395E-04    0.942570E+01 -0.238068E-05 0.100000E-04    0.982935E+00
 113    0.363136E-02    0.759382E+01 -0.114026E-04 0.114026E-04    0.446471E-02
 114   -0.239730E+00    0.481182E+01 -0.400000E-03 0.400000E-03    0.137789E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.4969792581E-01

 Beginning of optimization cycle  106.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3969481935
 potential> RMS force:                                               0.0226354425   |gradient|=.2416803906    
 Eigenvalues of the Hessian matrix:
   719.85580    670.71697    623.51231    603.45863    589.67408    564.19597 
   561.81840    478.21693    470.16822    463.31245    441.49973    431.64947 
   420.40557    405.75169    398.35393    388.40887    366.95975    363.89620 
   352.62734    343.31656    324.15731    322.82999    318.62804    316.78008 
   305.34237    287.34173    279.91923    271.49163    265.76881    262.16516 
   257.70485    253.40180    243.96432    239.39857    234.30435    228.51425 
   224.58455    212.74572    211.18227    209.77998    202.92292    198.54351 
   195.36863    191.63170    186.35693    178.08586    170.71249    168.11490 
   165.74129    160.58369    153.69094    151.04536    148.62832    142.59069 
   136.91133    134.73368    131.00586    127.68453    125.74390    124.62315 
   119.42473    117.95383    116.41727    112.59173    110.13692    105.54141 
   102.82646    100.48005     97.21331     95.04899     91.26882     90.64095 
    88.24161     84.47624     80.88502     79.11450     78.69074     73.00455 
    71.35527     69.33632     67.69833     63.50568     62.20134     59.65925 
    58.59584     55.82432     53.62735     52.29627     50.30289     48.01298 
    43.61940     39.83414     37.43965     36.19362     34.80839     29.48468 
    28.97647     28.71770     23.40374     21.90446     19.58531     16.64906 
    13.85625     12.57873     11.46962      9.42759      7.59450      4.81223 
overlap for current and previous eigenvector    109 is        -0.9999964108
overlap for current and previous eigenvector    110 is         0.9999920840
overlap for current and previous eigenvector    111 is         0.9999890145
overlap for current and previous eigenvector    112 is        -0.9999995522
overlap for current and previous eigenvector    113 is        -0.9999992548
overlap for current and previous eigenvector    114 is        -0.9999993159
J1,K1,R1,R2,RAT=   7   7    0.8914960222E-01     1.910685206        0.9106852058    
FOB,PFOB,DIAG,PSTEP=    0.5922713456E-07    0.6502452383E-07     719.8557982       -0.9033739147E-10
J1,K1,R1,R2,RAT=   8   8   -0.2835918736E-01     2.028306892        0.9716408126    
FOB,PFOB,DIAG,PSTEP=   -0.8059839098E-06   -0.7837566276E-06     670.7169699        0.1168566111E-08
J1,K1,R1,R2,RAT=   9   9   -0.1382292359E-01     2.013752298        0.9861770764    
FOB,PFOB,DIAG,PSTEP=    0.6543223438E-06    0.6454007041E-06     623.5123140       -0.1035141538E-08
J1,K1,R1,R2,RAT=  10  10    0.4805828091E-03     1.999467307        0.9994673069    
FOB,PFOB,DIAG,PSTEP=    0.1361287956E-05    0.1361942499E-05     603.4586261       -0.2256953380E-08
J1,K1,R1,R2,RAT=  11  11   -0.1263594996E-03     2.000125634        0.9998736405    
FOB,PFOB,DIAG,PSTEP=   -0.9566237169E-06   -0.9565028537E-06     589.6740781        0.1622087923E-08
J1,K1,R1,R2,RAT= 109 109     2.004654499       -0.4435347678E-02    0.9955646523    
FOB,PFOB,DIAG,PSTEP=   -0.6324212582E-04    0.6296289409E-04     13.85624775       -0.4543509670E-05
J1,K1,R1,R2,RAT= 110 110   -0.1382714204E-01     2.014432470        0.9861728580    
FOB,PFOB,DIAG,PSTEP=   -0.5421567305E-04   -0.5347647004E-04     12.57872782        0.4250055354E-05
J1,K1,R1,R2,RAT= 111 111   -0.8125078701E-02     2.009806114        0.9918749213    
FOB,PFOB,DIAG,PSTEP=   -0.1040045469E-03   -0.1031670108E-03     11.46961867        0.8987253446E-05
J1,K1,R1,R2,RAT= 112 112     1.993849688        0.5749953254E-02    0.9938496880    
FOB,PFOB,DIAG,PSTEP=   -0.2231048499E-04    0.2243953711E-04     9.427589328       -0.2380675395E-05
J1,K1,R1,R2,RAT= 113 113     84.71068855       -0.8427819362        0.1572180638    
FOB,PFOB,DIAG,PSTEP=   -0.3704342081E-02    0.3631359593E-02     7.594502362       -0.1140260626E-04
J1,K1,R1,R2,RAT= 114 114    -250.0823792        0.9986075413        0.1392458690E-02
FOB,PFOB,DIAG,PSTEP=    0.2416518821       -0.2397296705         4.812229816       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001     -0.00001      0.00001 
    -0.00001      0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000     -0.00000     -0.00000     -0.00001      0.00000     -0.00002 
     0.00001     -0.00002     -0.00001      0.00002     -0.00000      0.00003 
    -0.00003     -0.00001      0.00001      0.00001     -0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00002      0.00001 
    -0.00000     -0.00003      0.00003     -0.00001      0.00003      0.00001 
     0.00002     -0.00001      0.00003      0.00003     -0.00009     -0.00004 
     0.00003      0.00004     -0.00002      0.00000     -0.00009      0.00008 
    -0.00006     -0.00005     -0.00010     -0.00002     -0.00370      0.24165 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4375190120
 Log product of positive Hessian eigenvalues =          520.4270384867
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8122298160
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000012
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000049
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000027
 Unscaled step for mode   17=       -0.0000000026
 Unscaled step for mode   18=       -0.0000000073
 Unscaled step for mode   19=       -0.0000000154
 Unscaled step for mode   20=       -0.0000000192
 Unscaled step for mode   21=       -0.0000000113
 Unscaled step for mode   22=        0.0000000006
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000222
 Unscaled step for mode   26=        0.0000000346
 Unscaled step for mode   27=        0.0000000197
 Unscaled step for mode   28=        0.0000000165
 Unscaled step for mode   29=        0.0000000227
 Unscaled step for mode   30=        0.0000000176
 Unscaled step for mode   31=        0.0000000063
 Unscaled step for mode   32=        0.0000000009
 Unscaled step for mode   33=       -0.0000000145
 Unscaled step for mode   34=       -0.0000000068
 Unscaled step for mode   35=       -0.0000000448
 Unscaled step for mode   36=       -0.0000000079
 Unscaled step for mode   37=        0.0000000202
 Unscaled step for mode   38=        0.0000000110
 Unscaled step for mode   39=        0.0000000359
 Unscaled step for mode   40=       -0.0000000169
 Unscaled step for mode   41=       -0.0000000216
 Unscaled step for mode   42=        0.0000000100
 Unscaled step for mode   43=       -0.0000000084
 Unscaled step for mode   44=        0.0000000105
 Unscaled step for mode   45=       -0.0000000167
 Unscaled step for mode   46=       -0.0000000240
 Unscaled step for mode   47=        0.0000000620
 Unscaled step for mode   48=        0.0000000046
 Unscaled step for mode   49=       -0.0000000346
 Unscaled step for mode   50=       -0.0000000268
 Unscaled step for mode   51=        0.0000000263
 Unscaled step for mode   52=       -0.0000000024
 Unscaled step for mode   53=        0.0000000305
 Unscaled step for mode   54=       -0.0000000147
 Unscaled step for mode   55=        0.0000000604
 Unscaled step for mode   56=       -0.0000000226
 Unscaled step for mode   57=        0.0000000107
 Unscaled step for mode   58=        0.0000000521
 Unscaled step for mode   59=        0.0000000341
 Unscaled step for mode   60=       -0.0000000581
 Unscaled step for mode   61=        0.0000000459
 Unscaled step for mode   62=       -0.0000001398
 Unscaled step for mode   63=       -0.0000000924
 Unscaled step for mode   64=       -0.0000000204
 Unscaled step for mode   65=       -0.0000000110
 Unscaled step for mode   66=        0.0000001056
 Unscaled step for mode   67=        0.0000000084
 Unscaled step for mode   68=        0.0000000303
 Unscaled step for mode   69=        0.0000000023
 Unscaled step for mode   70=        0.0000000557
 Unscaled step for mode   71=       -0.0000000007
 Unscaled step for mode   72=        0.0000001544
 Unscaled step for mode   73=       -0.0000000588
 Unscaled step for mode   74=        0.0000001903
 Unscaled step for mode   75=        0.0000001272
 Unscaled step for mode   76=       -0.0000001646
 Unscaled step for mode   77=        0.0000000052
 Unscaled step for mode   78=       -0.0000003197
 Unscaled step for mode   79=        0.0000003273
 Unscaled step for mode   80=        0.0000000847
 Unscaled step for mode   81=       -0.0000001069
 Unscaled step for mode   82=       -0.0000001818
 Unscaled step for mode   83=        0.0000001021
 Unscaled step for mode   84=        0.0000001469
 Unscaled step for mode   85=        0.0000002888
 Unscaled step for mode   86=        0.0000003804
 Unscaled step for mode   87=        0.0000000787
 Unscaled step for mode   88=       -0.0000000003
 Unscaled step for mode   89=        0.0000003741
 Unscaled step for mode   90=       -0.0000001835
 Unscaled step for mode   91=        0.0000000148
 Unscaled step for mode   92=        0.0000004565
 Unscaled step for mode   93=       -0.0000005945
 Unscaled step for mode   94=        0.0000002866
 Unscaled step for mode   95=       -0.0000006010
 Unscaled step for mode   96=       -0.0000001749
 Unscaled step for mode   97=       -0.0000004263
 Unscaled step for mode   98=        0.0000003364
 Unscaled step for mode   99=       -0.0000006988
 Unscaled step for mode  100=       -0.0000008268
 Unscaled step for mode  101=        0.0000025152
 Unscaled step for mode  102=        0.0000012268
 Unscaled step for mode  103=       -0.0000009905
 Unscaled step for mode  104=       -0.0000013092
 Unscaled step for mode  105=        0.0000007761
 Unscaled step for mode  106=       -0.0000001420
 Unscaled step for mode  107=        0.0000044938
 Unscaled step for mode  108=       -0.0000050474
 Unscaled step for mode  109=        0.0000045642
 Unscaled step for mode  110=        0.0000043101
 Unscaled step for mode  111=        0.0000090678
 Unscaled step for mode  112=        0.0000023665
 Unscaled step for mode  113=        0.0004877662
 Unscaled step for mode  114=        0.0500902035
 Largest modulus ratio of non-zero e/values=           149.5888238    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.281025E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.740510E-16    0.100766E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.480735E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.311564E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.153089E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.650928E-16    0.973526E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.592271E-07    0.719856E+03 -0.822764E-10 0.100000E-04    0.910685E+00
   8   -0.805984E-06    0.670717E+03  0.120168E-08 0.100000E-04    0.971641E+00
   9    0.654322E-06    0.623512E+03 -0.104941E-08 0.100000E-04    0.986177E+00
  10    0.136129E-05    0.603459E+03 -0.225581E-08 0.100000E-04    0.999467E+00
  11   -0.956624E-06    0.589674E+03  0.162229E-08 0.100000E-04    0.999874E+00
  12    0.276486E-05    0.564196E+03 -0.490052E-08 0.100000E-04    0.994330E+00
  13    0.186737E-05    0.561818E+03 -0.332380E-08 0.100000E-04    0.990283E+00
  14   -0.547551E-05    0.478217E+03  0.114498E-07 0.100000E-04    0.998321E+00
  15    0.165651E-05    0.470168E+03 -0.352323E-08 0.100000E-04    0.993717E+00
  16    0.126966E-05    0.463312E+03 -0.274039E-08 0.100000E-04    0.991884E+00
  17    0.114079E-05    0.441500E+03 -0.258389E-08 0.100000E-04    0.994429E+00
  18    0.314862E-05    0.431649E+03 -0.729439E-08 0.100000E-04    0.993984E+00
  19    0.646862E-05    0.420406E+03 -0.153866E-07 0.100000E-04    0.993518E+00
  20    0.779432E-05    0.405752E+03 -0.192096E-07 0.100000E-04    0.997491E+00
  21    0.448807E-05    0.398354E+03 -0.112665E-07 0.100000E-04    0.994121E+00
  22   -0.228274E-06    0.388409E+03  0.587716E-09 0.100000E-04    0.934996E+00
  23   -0.193646E-05    0.366960E+03  0.527703E-08 0.100000E-04    0.997589E+00
  24    0.189334E-05    0.363896E+03 -0.520297E-08 0.100000E-04    0.999175E+00
  25   -0.784522E-05    0.352627E+03  0.222479E-07 0.100000E-04    0.992801E+00
  26   -0.118680E-04    0.343317E+03  0.345686E-07 0.100000E-04    0.991934E+00
  27   -0.639020E-05    0.324157E+03  0.197133E-07 0.100000E-04    0.993238E+00
  28   -0.533012E-05    0.322830E+03  0.165106E-07 0.100000E-04    0.999122E+00
  29   -0.722997E-05    0.318628E+03  0.226910E-07 0.100000E-04    0.989639E+00
  30   -0.558411E-05    0.316780E+03  0.176277E-07 0.100000E-04    0.985563E+00
  31   -0.191203E-05    0.305342E+03  0.626193E-08 0.100000E-04    0.981164E+00
  32   -0.248922E-06    0.287342E+03  0.866294E-09 0.100000E-04    0.946935E+00
  33    0.407069E-05    0.279919E+03 -0.145424E-07 0.100000E-04    0.993404E+00
  34    0.185521E-05    0.271492E+03 -0.683339E-08 0.100000E-04    0.994910E+00
  35    0.119197E-04    0.265769E+03 -0.448500E-07 0.100000E-04    0.992032E+00
  36    0.207761E-05    0.262165E+03 -0.792480E-08 0.100000E-04    0.986765E+00
  37   -0.519443E-05    0.257705E+03  0.201565E-07 0.100000E-04    0.990882E+00
  38   -0.278491E-05    0.253402E+03  0.109901E-07 0.100000E-04    0.991838E+00
  39   -0.874831E-05    0.243964E+03  0.358590E-07 0.100000E-04    0.993017E+00
  40    0.403420E-05    0.239399E+03 -0.168514E-07 0.100000E-04    0.982819E+00
  41    0.505087E-05    0.234304E+03 -0.215569E-07 0.100000E-04    0.985933E+00
  42   -0.229240E-05    0.228514E+03  0.100317E-07 0.100000E-04    0.987377E+00
  43    0.189007E-05    0.224585E+03 -0.841587E-08 0.100000E-04    0.984737E+00
  44   -0.224424E-05    0.212746E+03  0.105489E-07 0.100000E-04    0.964975E+00
  45    0.351841E-05    0.211182E+03 -0.166605E-07 0.100000E-04    0.996791E+00
  46    0.502423E-05    0.209780E+03 -0.239500E-07 0.100000E-04    0.984113E+00
  47   -0.125856E-04    0.202923E+03  0.620213E-07 0.100000E-04    0.990559E+00
  48   -0.909189E-06    0.198544E+03  0.457929E-08 0.100000E-04    0.987334E+00
  49    0.675172E-05    0.195369E+03 -0.345589E-07 0.100000E-04    0.989011E+00
  50    0.513191E-05    0.191632E+03 -0.267801E-07 0.100000E-04    0.995599E+00
  51   -0.490922E-05    0.186357E+03  0.263431E-07 0.100000E-04    0.990113E+00
  52    0.419891E-06    0.178086E+03 -0.235780E-08 0.100000E-04    0.992549E+00
  53   -0.521115E-05    0.170712E+03  0.305259E-07 0.100000E-04    0.992250E+00
  54    0.246901E-05    0.168115E+03 -0.146864E-07 0.100000E-04    0.982573E+00
  55   -0.100098E-04    0.165741E+03  0.603938E-07 0.100000E-04    0.992495E+00
  56    0.363611E-05    0.160584E+03 -0.226431E-07 0.100000E-04    0.996044E+00
  57   -0.164031E-05    0.153691E+03  0.106728E-07 0.100000E-04    0.988163E+00
  58   -0.787599E-05    0.151045E+03  0.521432E-07 0.100000E-04    0.993359E+00
  59   -0.506523E-05    0.148628E+03  0.340798E-07 0.100000E-04    0.989997E+00
  60    0.828277E-05    0.142591E+03 -0.580877E-07 0.100000E-04    0.989548E+00
  61   -0.628336E-05    0.136911E+03  0.458936E-07 0.100000E-04    0.992733E+00
  62    0.188407E-04    0.134734E+03 -0.139837E-06 0.100000E-04    0.994041E+00
  63    0.121049E-04    0.131006E+03 -0.923996E-07 0.100000E-04    0.994549E+00
  64    0.260934E-05    0.127685E+03 -0.204358E-07 0.100000E-04    0.984646E+00
  65    0.138751E-05    0.125744E+03 -0.110344E-07 0.100000E-04    0.983748E+00
  66   -0.131543E-04    0.124623E+03  0.105552E-06 0.100000E-04    0.993226E+00
  67   -0.100614E-05    0.119425E+03  0.842485E-08 0.100000E-04    0.984535E+00
  68   -0.357048E-05    0.117954E+03  0.302702E-07 0.100000E-04    0.991860E+00
  69   -0.267531E-06    0.116417E+03  0.229804E-08 0.100000E-04    0.950903E+00
  70   -0.627091E-05    0.112592E+03  0.556961E-07 0.100000E-04    0.985878E+00
  71    0.765068E-07    0.110137E+03 -0.694652E-09 0.100000E-04    0.895346E+00
  72   -0.162978E-04    0.105541E+03  0.154421E-06 0.100000E-04    0.992610E+00
  73    0.604984E-05    0.102826E+03 -0.588354E-07 0.100000E-04    0.985554E+00
  74   -0.191189E-04    0.100480E+03  0.190276E-06 0.100000E-04    0.994074E+00
  75   -0.123696E-04    0.972133E+02  0.127242E-06 0.100000E-04    0.987141E+00
  76    0.156415E-04    0.950490E+02 -0.164562E-06 0.100000E-04    0.991696E+00
  77   -0.476586E-06    0.912688E+02  0.522179E-08 0.100000E-04    0.921873E+00
  78    0.289744E-04    0.906410E+02 -0.319661E-06 0.100000E-04    0.990227E+00
  79   -0.288800E-04    0.882416E+02  0.327283E-06 0.100000E-04    0.996047E+00
  80   -0.715476E-05    0.844762E+02  0.846956E-07 0.100000E-04    0.989070E+00
  81    0.864442E-05    0.808850E+02 -0.106873E-06 0.100000E-04    0.992578E+00
  82    0.143793E-04    0.791145E+02 -0.181753E-06 0.100000E-04    0.996948E+00
  83   -0.803650E-05    0.786907E+02  0.102128E-06 0.100000E-04    0.996757E+00
  84   -0.107214E-04    0.730046E+02  0.146859E-06 0.100000E-04    0.991763E+00
  85   -0.206099E-04    0.713553E+02  0.288836E-06 0.100000E-04    0.994142E+00
  86   -0.263748E-04    0.693363E+02  0.380389E-06 0.100000E-04    0.993699E+00
  87   -0.532690E-05    0.676983E+02  0.786859E-07 0.100000E-04    0.985998E+00
  88    0.206128E-07    0.635057E+02 -0.324583E-09 0.100000E-04    0.579119E+00
  89   -0.232685E-04    0.622013E+02  0.374083E-06 0.100000E-04    0.993274E+00
  90    0.109453E-04    0.596592E+02 -0.183463E-06 0.100000E-04    0.994720E+00
  91   -0.867393E-06    0.585958E+02  0.148030E-07 0.100000E-04    0.978859E+00
  92   -0.254817E-04    0.558243E+02  0.456462E-06 0.100000E-04    0.989653E+00
  93    0.318810E-04    0.536273E+02 -0.594491E-06 0.100000E-04    0.996246E+00
  94   -0.149862E-04    0.522963E+02  0.286563E-06 0.100000E-04    0.992249E+00
  95    0.302334E-04    0.503029E+02 -0.601028E-06 0.100000E-04    0.996675E+00
  96    0.839616E-05    0.480130E+02 -0.174873E-06 0.100000E-04    0.993483E+00
  97    0.185959E-04    0.436194E+02 -0.426323E-06 0.100000E-04    0.993775E+00
  98   -0.134007E-04    0.398341E+02  0.336414E-06 0.100000E-04    0.993205E+00
  99    0.261621E-04    0.374397E+02 -0.698780E-06 0.100000E-04    0.988509E+00
 100    0.299245E-04    0.361936E+02 -0.826790E-06 0.100000E-04    0.997106E+00
 101   -0.875498E-04    0.348084E+02  0.251519E-05 0.100000E-04    0.993912E+00
 102   -0.361716E-04    0.294847E+02  0.122679E-05 0.100000E-04    0.995259E+00
 103    0.287022E-04    0.289765E+02 -0.990533E-06 0.100000E-04    0.994974E+00
 104    0.375959E-04    0.287177E+02 -0.130916E-05 0.100000E-04    0.997453E+00
 105   -0.181644E-04    0.234037E+02  0.776134E-06 0.100000E-04    0.987070E+00
 106    0.311105E-05    0.219045E+02 -0.142028E-06 0.100000E-04    0.941573E+00
 107   -0.880125E-04    0.195853E+02  0.449380E-05 0.100000E-04    0.994302E+00
 108    0.840348E-04    0.166491E+02 -0.504742E-05 0.100000E-04    0.999463E+00
 109   -0.632421E-04    0.138562E+02  0.456416E-05 0.100000E-04    0.995565E+00
 110   -0.542157E-04    0.125787E+02  0.431011E-05 0.100000E-04    0.986173E+00
 111   -0.104005E-03    0.114696E+02  0.906783E-05 0.100000E-04    0.991875E+00
 112   -0.223105E-04    0.942759E+01  0.236651E-05 0.100000E-04    0.993850E+00
 113   -0.370434E-02    0.759450E+01  0.124288E-04 0.124288E-04    0.157218E+00
 114    0.241652E+00    0.481223E+01  0.400000E-03 0.400000E-03    0.139246E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5009020348E-01

 Beginning of optimization cycle  107.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3968511947
 potential> RMS force:                                               0.0228155590   |gradient|=.2436035085    
 Eigenvalues of the Hessian matrix:
   719.91521    670.73439    623.53420    603.47433    589.67411    564.21720 
   561.85695    478.23301    470.14577    463.30103    441.49698    431.63905 
   420.41341    405.76255    398.35028    388.41338    366.96118    363.88575 
   352.61773    343.27662    324.16289    322.80767    318.61816    316.79654 
   305.34028    287.34382    279.91540    271.48493    265.76840    262.17310 
   257.70763    253.40316    243.95054    239.38715    234.31514    228.51697 
   224.56598    212.74249    211.18618    209.77028    202.92529    198.53875 
   195.37154    191.63096    186.35120    178.07104    170.71443    168.11334 
   165.74001    160.58030    153.68605    151.04464    148.63504    142.59486 
   136.91187    134.73836    131.00496    127.68390    125.74741    124.63035 
   119.42504    117.95329    116.42109    112.58451    110.12874    105.53749 
   102.82670    100.47570     97.21213     95.04986     91.26253     90.64702 
    88.25323     84.47750     80.88487     79.11785     78.68892     73.00168 
    71.35834     69.32743     67.70164     63.50301     62.19525     59.65913 
    58.59893     55.82442     53.62520     52.29491     50.30299     48.01224 
    43.61484     39.83701     37.43206     36.19470     34.81541     29.47547 
    28.97518     28.71811     23.39857     21.90530     19.58560     16.65185 
    13.85474     12.57496     11.45990      9.42948      7.59515      4.81260 
overlap for current and previous eigenvector    109 is         0.9999964572
overlap for current and previous eigenvector    110 is         0.9999922033
overlap for current and previous eigenvector    111 is         0.9999891269
overlap for current and previous eigenvector    112 is         0.9999995477
overlap for current and previous eigenvector    113 is         0.9999992535
overlap for current and previous eigenvector    114 is         0.9999993200
J1,K1,R1,R2,RAT=   7   7    0.9709132995E-01     1.902743615        0.9027436149    
FOB,PFOB,DIAG,PSTEP=    0.5347621868E-07    0.5922713456E-07     719.9152110       -0.8227638744E-10
J1,K1,R1,R2,RAT=   8   8   -0.2869075474E-01     2.028638826        0.9713092453    
FOB,PFOB,DIAG,PSTEP=   -0.8291087969E-06   -0.8059839098E-06     670.7343850        0.1201675142E-08
J1,K1,R1,R2,RAT=   9   9   -0.1412598657E-01     2.014055794        0.9858740134    
FOB,PFOB,DIAG,PSTEP=    0.6635656168E-06    0.6543223438E-06     623.5341979       -0.1049413667E-08
J1,K1,R1,R2,RAT=  10  10    0.7855276888E-03     1.999162432        0.9991624317    
FOB,PFOB,DIAG,PSTEP=    0.1360218599E-05    0.1361287956E-05     603.4743287       -0.2255809922E-08
J1,K1,R1,R2,RAT=  11  11    0.3833971251E-03     1.999616487        0.9996164867    
FOB,PFOB,DIAG,PSTEP=   -0.9562569501E-06   -0.9566237169E-06     589.6741124        0.1622292301E-08
J1,K1,R1,R2,RAT= 109 109   -0.4686066788E-02     2.004903430        0.9953139332    
FOB,PFOB,DIAG,PSTEP=   -0.6353845044E-04   -0.6324212582E-04     13.85474199        0.4564159573E-05
J1,K1,R1,R2,RAT= 110 110   -0.1270692110E-01     2.013305747        0.9872930789    
FOB,PFOB,DIAG,PSTEP=   -0.5490438113E-04   -0.5421567305E-04     12.57496271        0.4310107813E-05
J1,K1,R1,R2,RAT= 111 111   -0.8720649625E-02     2.010417184        0.9912793504    
FOB,PFOB,DIAG,PSTEP=   -0.1049107654E-03   -0.1040045469E-03     11.45989761        0.9067829533E-05
J1,K1,R1,R2,RAT= 112 112    0.5076810447E-02     1.994522404        0.9945224037    
FOB,PFOB,DIAG,PSTEP=   -0.2219719619E-04   -0.2231048499E-04     9.429478929        0.2366510060E-05
J1,K1,R1,R2,RAT= 113 113   -0.6947273163         79.17741612        0.3052726837    
FOB,PFOB,DIAG,PSTEP=   -0.3769923617E-02   -0.3704342081E-02     7.595153956        0.1242884082E-04
J1,K1,R1,R2,RAT= 114 114    0.9985952117        -252.0603119        0.1404788297E-02
FOB,PFOB,DIAG,PSTEP=    0.2435742175        0.2416518821         4.812599175        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00000      0.00000     -0.00001      0.00000 
    -0.00001      0.00000     -0.00000      0.00001      0.00001      0.00001 
     0.00001      0.00002      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000      0.00001      0.00000      0.00002 
    -0.00001     -0.00002      0.00001      0.00002     -0.00000      0.00003 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001     -0.00001 
     0.00002     -0.00003     -0.00001      0.00000     -0.00002     -0.00001 
     0.00000      0.00003     -0.00003      0.00002     -0.00003     -0.00001 
     0.00002      0.00001     -0.00003      0.00003      0.00009      0.00004 
    -0.00003      0.00004     -0.00002     -0.00000      0.00009      0.00008 
    -0.00006     -0.00005     -0.00010     -0.00002     -0.00377      0.24357 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4375624692
 Log product of positive Hessian eigenvalues =          520.4254287737
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8125991754
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000012
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000049
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000115
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000028
 Unscaled step for mode   17=       -0.0000000026
 Unscaled step for mode   18=       -0.0000000073
 Unscaled step for mode   19=       -0.0000000155
 Unscaled step for mode   20=       -0.0000000193
 Unscaled step for mode   21=       -0.0000000113
 Unscaled step for mode   22=        0.0000000005
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000224
 Unscaled step for mode   26=        0.0000000348
 Unscaled step for mode   27=        0.0000000198
 Unscaled step for mode   28=        0.0000000165
 Unscaled step for mode   29=        0.0000000229
 Unscaled step for mode   30=        0.0000000179
 Unscaled step for mode   31=        0.0000000064
 Unscaled step for mode   32=        0.0000000009
 Unscaled step for mode   33=       -0.0000000146
 Unscaled step for mode   34=       -0.0000000069
 Unscaled step for mode   35=       -0.0000000452
 Unscaled step for mode   36=       -0.0000000080
 Unscaled step for mode   37=        0.0000000203
 Unscaled step for mode   38=        0.0000000111
 Unscaled step for mode   39=        0.0000000361
 Unscaled step for mode   40=       -0.0000000171
 Unscaled step for mode   41=       -0.0000000219
 Unscaled step for mode   42=        0.0000000102
 Unscaled step for mode   43=       -0.0000000085
 Unscaled step for mode   44=        0.0000000109
 Unscaled step for mode   45=       -0.0000000167
 Unscaled step for mode   46=       -0.0000000243
 Unscaled step for mode   47=        0.0000000626
 Unscaled step for mode   48=        0.0000000045
 Unscaled step for mode   49=       -0.0000000349
 Unscaled step for mode   50=       -0.0000000269
 Unscaled step for mode   51=        0.0000000266
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000308
 Unscaled step for mode   54=       -0.0000000149
 Unscaled step for mode   55=        0.0000000609
 Unscaled step for mode   56=       -0.0000000227
 Unscaled step for mode   57=        0.0000000108
 Unscaled step for mode   58=       -0.0000000525
 Unscaled step for mode   59=       -0.0000000344
 Unscaled step for mode   60=       -0.0000000587
 Unscaled step for mode   61=       -0.0000000462
 Unscaled step for mode   62=       -0.0000001407
 Unscaled step for mode   63=       -0.0000000929
 Unscaled step for mode   64=       -0.0000000207
 Unscaled step for mode   65=        0.0000000108
 Unscaled step for mode   66=        0.0000001063
 Unscaled step for mode   67=       -0.0000000086
 Unscaled step for mode   68=       -0.0000000305
 Unscaled step for mode   69=       -0.0000000022
 Unscaled step for mode   70=       -0.0000000565
 Unscaled step for mode   71=       -0.0000000008
 Unscaled step for mode   72=       -0.0000001555
 Unscaled step for mode   73=        0.0000000597
 Unscaled step for mode   74=        0.0000001914
 Unscaled step for mode   75=       -0.0000001289
 Unscaled step for mode   76=       -0.0000001659
 Unscaled step for mode   77=        0.0000000056
 Unscaled step for mode   78=       -0.0000003228
 Unscaled step for mode   79=       -0.0000003285
 Unscaled step for mode   80=        0.0000000856
 Unscaled step for mode   81=        0.0000001077
 Unscaled step for mode   82=       -0.0000001823
 Unscaled step for mode   83=        0.0000001025
 Unscaled step for mode   84=        0.0000001480
 Unscaled step for mode   85=       -0.0000002905
 Unscaled step for mode   86=        0.0000003828
 Unscaled step for mode   87=        0.0000000775
 Unscaled step for mode   88=       -0.0000000005
 Unscaled step for mode   89=        0.0000003765
 Unscaled step for mode   90=        0.0000001844
 Unscaled step for mode   91=       -0.0000000145
 Unscaled step for mode   92=       -0.0000004612
 Unscaled step for mode   93=        0.0000005967
 Unscaled step for mode   94=       -0.0000002888
 Unscaled step for mode   95=        0.0000006030
 Unscaled step for mode   96=        0.0000001760
 Unscaled step for mode   97=       -0.0000004288
 Unscaled step for mode   98=       -0.0000003387
 Unscaled step for mode   99=        0.0000007067
 Unscaled step for mode  100=       -0.0000008291
 Unscaled step for mode  101=       -0.0000025296
 Unscaled step for mode  102=       -0.0000012329
 Unscaled step for mode  103=        0.0000009953
 Unscaled step for mode  104=       -0.0000013121
 Unscaled step for mode  105=        0.0000007858
 Unscaled step for mode  106=        0.0000001326
 Unscaled step for mode  107=       -0.0000045177
 Unscaled step for mode  108=       -0.0000050499
 Unscaled step for mode  109=        0.0000045860
 Unscaled step for mode  110=        0.0000043662
 Unscaled step for mode  111=        0.0000091546
 Unscaled step for mode  112=        0.0000023540
 Unscaled step for mode  113=        0.0004963590
 Unscaled step for mode  114=        0.0504827966
 Largest modulus ratio of non-zero e/values=           149.5896884    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.514346E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.465123E-16    0.100766E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.307100E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.104083E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.172135E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.114522E-14    0.973527E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.534762E-07    0.719915E+03 -0.742813E-10 0.100000E-04    0.902744E+00
   8   -0.829109E-06    0.670734E+03  0.123612E-08 0.100000E-04    0.971309E+00
   9    0.663566E-06    0.623534E+03 -0.106420E-08 0.100000E-04    0.985874E+00
  10    0.136022E-05    0.603474E+03 -0.225398E-08 0.100000E-04    0.999162E+00
  11   -0.956257E-06    0.589674E+03  0.162167E-08 0.100000E-04    0.999616E+00
  12    0.278052E-05    0.564217E+03 -0.492810E-08 0.100000E-04    0.994336E+00
  13    0.184824E-05    0.561857E+03 -0.328952E-08 0.100000E-04    0.989619E+00
  14   -0.548440E-05    0.478233E+03  0.114680E-07 0.100000E-04    0.998376E+00
  15    0.166735E-05    0.470146E+03 -0.354646E-08 0.100000E-04    0.993452E+00
  16    0.127991E-05    0.463301E+03 -0.276259E-08 0.100000E-04    0.991921E+00
  17    0.114654E-05    0.441497E+03 -0.259693E-08 0.100000E-04    0.994958E+00
  18    0.316700E-05    0.431639E+03 -0.733716E-08 0.100000E-04    0.994161E+00
  19    0.650996E-05    0.420413E+03 -0.154847E-07 0.100000E-04    0.993609E+00
  20    0.781246E-05    0.405763E+03 -0.192538E-07 0.100000E-04    0.997673E+00
  21    0.451342E-05    0.398350E+03 -0.113303E-07 0.100000E-04    0.994352E+00
  22   -0.211866E-06    0.388413E+03  0.545465E-09 0.100000E-04    0.928099E+00
  23   -0.193116E-05    0.366961E+03  0.526258E-08 0.100000E-04    0.997258E+00
  24    0.189415E-05    0.363886E+03 -0.520536E-08 0.100000E-04    0.999570E+00
  25   -0.790157E-05    0.352618E+03  0.224083E-07 0.100000E-04    0.992817E+00
  26   -0.119627E-04    0.343277E+03  0.348484E-07 0.100000E-04    0.992020E+00
  27   -0.643358E-05    0.324163E+03  0.198467E-07 0.100000E-04    0.993212E+00
  28   -0.532511E-05    0.322808E+03  0.164962E-07 0.100000E-04    0.999059E+00
  29   -0.730417E-05    0.318618E+03  0.229245E-07 0.100000E-04    0.989737E+00
  30   -0.566594E-05    0.316797E+03  0.178851E-07 0.100000E-04    0.985347E+00
  31   -0.194818E-05    0.305340E+03  0.638037E-08 0.100000E-04    0.981092E+00
  32   -0.261429E-06    0.287344E+03  0.909811E-09 0.100000E-04    0.949759E+00
  33    0.409703E-05    0.279915E+03 -0.146367E-07 0.100000E-04    0.993528E+00
  34    0.186354E-05    0.271485E+03 -0.686426E-08 0.100000E-04    0.995506E+00
  35    0.120159E-04    0.265768E+03 -0.452120E-07 0.100000E-04    0.991929E+00
  36    0.210506E-05    0.262173E+03 -0.802929E-08 0.100000E-04    0.986785E+00
  37   -0.524152E-05    0.257708E+03  0.203390E-07 0.100000E-04    0.990934E+00
  38   -0.280795E-05    0.253403E+03  0.110809E-07 0.100000E-04    0.991727E+00
  39   -0.880823E-05    0.243951E+03  0.361066E-07 0.100000E-04    0.993150E+00
  40    0.410399E-05    0.239387E+03 -0.171437E-07 0.100000E-04    0.982698E+00
  41    0.512265E-05    0.234315E+03 -0.218622E-07 0.100000E-04    0.985790E+00
  42   -0.232278E-05    0.228517E+03  0.101646E-07 0.100000E-04    0.986746E+00
  43    0.191940E-05    0.224566E+03 -0.854716E-08 0.100000E-04    0.984483E+00
  44   -0.232419E-05    0.212742E+03  0.109249E-07 0.100000E-04    0.964375E+00
  45    0.352961E-05    0.211186E+03 -0.167133E-07 0.100000E-04    0.996817E+00
  46    0.510450E-05    0.209770E+03 -0.243338E-07 0.100000E-04    0.984023E+00
  47   -0.127052E-04    0.202925E+03  0.626104E-07 0.100000E-04    0.990491E+00
  48   -0.897363E-06    0.198539E+03  0.451984E-08 0.100000E-04    0.986993E+00
  49    0.682625E-05    0.195372E+03 -0.349398E-07 0.100000E-04    0.988962E+00
  50    0.515160E-05    0.191631E+03 -0.268829E-07 0.100000E-04    0.996163E+00
  51   -0.495786E-05    0.186351E+03  0.266049E-07 0.100000E-04    0.990092E+00
  52    0.415771E-06    0.178071E+03 -0.233486E-08 0.100000E-04    0.990187E+00
  53   -0.525108E-05    0.170714E+03  0.307595E-07 0.100000E-04    0.992337E+00
  54    0.251237E-05    0.168113E+03 -0.149445E-07 0.100000E-04    0.982438E+00
  55   -0.100856E-04    0.165740E+03  0.608519E-07 0.100000E-04    0.992424E+00
  56    0.365014E-05    0.160580E+03 -0.227310E-07 0.100000E-04    0.996140E+00
  57   -0.165922E-05    0.153686E+03  0.107962E-07 0.100000E-04    0.988474E+00
  58    0.792802E-05    0.151045E+03 -0.524879E-07 0.100000E-04    0.993394E+00
  59    0.511594E-05    0.148635E+03 -0.344195E-07 0.100000E-04    0.989989E+00
  60    0.836946E-05    0.142595E+03 -0.586940E-07 0.100000E-04    0.989534E+00
  61    0.632748E-05    0.136912E+03 -0.462157E-07 0.100000E-04    0.992978E+00
  62    0.189514E-04    0.134738E+03 -0.140653E-06 0.100000E-04    0.994127E+00
  63    0.121682E-04    0.131005E+03 -0.928832E-07 0.100000E-04    0.994772E+00
  64    0.264819E-05    0.127684E+03 -0.207402E-07 0.100000E-04    0.985112E+00
  65   -0.136344E-05    0.125747E+03  0.108427E-07 0.100000E-04    0.982603E+00
  66   -0.132421E-04    0.124630E+03  0.106251E-06 0.100000E-04    0.993327E+00
  67    0.102342E-05    0.119425E+03 -0.856952E-08 0.100000E-04    0.982826E+00
  68    0.359913E-05    0.117953E+03 -0.305132E-07 0.100000E-04    0.991975E+00
  69    0.254567E-06    0.116421E+03 -0.218661E-08 0.100000E-04    0.951477E+00
  70    0.636099E-05    0.112585E+03 -0.564997E-07 0.100000E-04    0.985635E+00
  71    0.839211E-07    0.110129E+03 -0.762027E-09 0.100000E-04    0.903083E+00
  72    0.164155E-04    0.105537E+03 -0.155542E-06 0.100000E-04    0.992778E+00
  73   -0.613709E-05    0.102827E+03  0.596838E-07 0.100000E-04    0.985578E+00
  74   -0.192296E-04    0.100476E+03  0.191385E-06 0.100000E-04    0.994213E+00
  75    0.125289E-04    0.972121E+02 -0.128882E-06 0.100000E-04    0.987122E+00
  76    0.157712E-04    0.950499E+02 -0.165925E-06 0.100000E-04    0.991707E+00
  77   -0.514044E-06    0.912625E+02  0.563259E-08 0.100000E-04    0.921398E+00
  78    0.292566E-04    0.906470E+02 -0.322753E-06 0.100000E-04    0.990261E+00
  79    0.289914E-04    0.882532E+02 -0.328502E-06 0.100000E-04    0.996144E+00
  80   -0.723187E-05    0.844775E+02  0.856071E-07 0.100000E-04    0.989223E+00
  81   -0.870802E-05    0.808849E+02  0.107659E-06 0.100000E-04    0.992643E+00
  82    0.144205E-04    0.791179E+02 -0.182266E-06 0.100000E-04    0.997137E+00
  83   -0.806488E-05    0.786889E+02  0.102491E-06 0.100000E-04    0.996469E+00
  84   -0.108070E-04    0.730017E+02  0.148038E-06 0.100000E-04    0.992011E+00
  85    0.207266E-04    0.713583E+02 -0.290459E-06 0.100000E-04    0.994338E+00
  86   -0.265368E-04    0.693274E+02  0.382774E-06 0.100000E-04    0.993856E+00
  87   -0.525019E-05    0.677016E+02  0.775490E-07 0.100000E-04    0.985503E+00
  88    0.313097E-07    0.635030E+02 -0.493043E-09 0.100000E-04    0.481036E+00
  89   -0.234187E-04    0.621953E+02  0.376535E-06 0.100000E-04    0.993544E+00
  90   -0.109983E-04    0.596591E+02  0.184352E-06 0.100000E-04    0.995156E+00
  91    0.848872E-06    0.585989E+02 -0.144861E-07 0.100000E-04    0.978544E+00
  92    0.257442E-04    0.558244E+02 -0.461163E-06 0.100000E-04    0.989700E+00
  93   -0.319962E-04    0.536252E+02  0.596663E-06 0.100000E-04    0.996386E+00
  94    0.151003E-04    0.522949E+02 -0.288753E-06 0.100000E-04    0.992384E+00
  95   -0.303320E-04    0.503030E+02  0.602985E-06 0.100000E-04    0.996742E+00
  96   -0.845210E-05    0.480122E+02  0.176041E-06 0.100000E-04    0.993337E+00
  97    0.187042E-04    0.436148E+02 -0.428849E-06 0.100000E-04    0.994179E+00
  98    0.134915E-04    0.398370E+02 -0.338666E-06 0.100000E-04    0.993231E+00
  99   -0.264514E-04    0.374321E+02  0.706650E-06 0.100000E-04    0.988940E+00
 100    0.300096E-04    0.361947E+02 -0.829115E-06 0.100000E-04    0.997159E+00
 101    0.880686E-04    0.348154E+02 -0.252959E-05 0.100000E-04    0.994076E+00
 102    0.363402E-04    0.294755E+02 -0.123290E-05 0.100000E-04    0.995337E+00
 103   -0.288382E-04    0.289752E+02  0.995272E-06 0.100000E-04    0.995261E+00
 104    0.376815E-04    0.287181E+02 -0.131212E-05 0.100000E-04    0.997724E+00
 105   -0.183867E-04    0.233986E+02  0.785804E-06 0.100000E-04    0.987762E+00
 106   -0.290423E-05    0.219053E+02  0.132581E-06 0.100000E-04    0.933447E+00
 107    0.884813E-04    0.195856E+02 -0.451767E-05 0.100000E-04    0.994674E+00
 108    0.840907E-04    0.166518E+02 -0.504993E-05 0.100000E-04    0.999336E+00
 109   -0.635385E-04    0.138547E+02  0.458604E-05 0.100000E-04    0.995314E+00
 110   -0.549044E-04    0.125750E+02  0.436617E-05 0.100000E-04    0.987293E+00
 111   -0.104911E-03    0.114599E+02  0.915460E-05 0.100000E-04    0.991279E+00
 112   -0.221972E-04    0.942948E+01  0.235402E-05 0.100000E-04    0.994522E+00
 113   -0.376992E-02    0.759515E+01  0.111972E-04 0.111972E-04    0.305273E+00
 114    0.243574E+00    0.481260E+01  0.400000E-03 0.400000E-03    0.140479E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5048279665E-01

 Beginning of optimization cycle  108.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3967534232
 potential> RMS force:                                               0.0229957002   |gradient|=.2455268905    
 Eigenvalues of the Hessian matrix:
   719.97470    670.75183    623.55605    603.48977    589.67418    564.23833 
   561.89547    478.24916    470.12332    463.28959    441.49424    431.62857 
   420.42119    405.77336    398.34661    388.41786    366.96258    363.87534 
   352.60805    343.23663    324.16844    322.78562    318.60825    316.81279 
   305.33813    287.34593    279.91156    271.47821    265.76799    262.18101 
   257.71037    253.40452    243.93678    239.37562    234.32592    228.51965 
   224.54737    212.73933    211.19011    209.76047    202.92765    198.53396 
   195.37442    191.63025    186.34539    178.05625    170.71645    168.11170 
   165.73873    160.57689    153.68119    151.04389    148.64180    142.59905 
   136.91240    134.74302    131.00408    127.68326    125.75093    124.63753 
   119.42538    117.95278    116.42493    112.57730    110.12057    105.53361 
   102.82696    100.47134     97.21094     95.05075     91.25624     90.65310 
    88.26485     84.47877     80.88472     79.12122     78.68709     72.99882 
    71.36145     69.31855     67.70499     63.50039     62.18916     59.65902 
    58.60204     55.82457     53.62305     52.29357     50.30309     48.01152 
    43.61029     39.83989     37.42451     36.19583     34.82249     29.46630 
    28.97388     28.71850     23.39339     21.90613     19.58598     16.65461 
    13.85326     12.57123     11.45013      9.43136      7.59581      4.81294 
overlap for current and previous eigenvector    109 is        -0.9999965148
overlap for current and previous eigenvector    110 is         0.9999923345
overlap for current and previous eigenvector    111 is        -0.9999892770
overlap for current and previous eigenvector    112 is         0.9999995432
overlap for current and previous eigenvector    113 is        -0.9999992480
overlap for current and previous eigenvector    114 is        -0.9999993226
J1,K1,R1,R2,RAT=   7   7    0.1807120975         1.819122647        0.8191226471    
FOB,PFOB,DIAG,PSTEP=    0.4381162047E-07    0.5347621868E-07     719.9747009       -0.7428127349E-10
J1,K1,R1,R2,RAT=   8   8   -0.2209470137E-02     2.002157442        0.9977905299    
FOB,PFOB,DIAG,PSTEP=   -0.8309407357E-06   -0.8291087969E-06     670.7518341        0.1236120908E-08
J1,K1,R1,R2,RAT=   9   9    0.7290067314E-02     1.992639851        0.9926398509    
FOB,PFOB,DIAG,PSTEP=    0.6587280093E-06    0.6635656168E-06     623.5560478       -0.1064200839E-08
J1,K1,R1,R2,RAT=  10  10   -0.7232373649E-02     2.007181213        0.9927676264    
FOB,PFOB,DIAG,PSTEP=    0.1370056460E-05    0.1360218599E-05     603.4897662       -0.2253979224E-08
J1,K1,R1,R2,RAT=  11  11   -0.3159666375E-02     2.003159452        0.9968403336    
FOB,PFOB,DIAG,PSTEP=   -0.9592784034E-06   -0.9562569501E-06     589.6741755        0.1621670224E-08
J1,K1,R1,R2,RAT= 109 109     2.004251103       -0.4037210192E-02    0.9959627898    
FOB,PFOB,DIAG,PSTEP=    0.6379494108E-04   -0.6353845044E-04     13.85326043        0.4586043570E-05
J1,K1,R1,R2,RAT= 110 110   -0.2090844246E-01     2.021502607        0.9790915575    
FOB,PFOB,DIAG,PSTEP=   -0.5605200528E-04   -0.5490438113E-04     12.57122802        0.4366166515E-05
J1,K1,R1,R2,RAT= 111 111     2.006084008       -0.4378287477E-02    0.9956217125    
FOB,PFOB,DIAG,PSTEP=    0.1053697035E-03   -0.1049107654E-03     11.45013225        0.9154598839E-05
J1,K1,R1,R2,RAT= 112 112    0.1795999702E-01     1.981641045        0.9816410446    
FOB,PFOB,DIAG,PSTEP=   -0.2179845507E-04   -0.2219719619E-04     9.431360289        0.2354021506E-05
J1,K1,R1,R2,RAT= 113 113     89.54159418       -0.8911923778        0.1088076222    
FOB,PFOB,DIAG,PSTEP=    0.3845720841E-02   -0.3769923617E-02     7.595811721        0.1119715389E-04
J1,K1,R1,R2,RAT= 114 114    -254.0395296        0.9985758261        0.1424173894E-02
FOB,PFOB,DIAG,PSTEP=   -0.2454966520        0.2435742175         4.812940630        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
     0.00001      0.00000     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00001      0.00000     -0.00000      0.00001 
     0.00000      0.00000     -0.00000     -0.00001      0.00000     -0.00002 
    -0.00001      0.00002     -0.00001      0.00002      0.00000      0.00003 
    -0.00003     -0.00001     -0.00001      0.00001     -0.00001      0.00001 
    -0.00002      0.00003     -0.00001      0.00000      0.00002      0.00001 
     0.00000     -0.00003      0.00003     -0.00002     -0.00003     -0.00001 
     0.00002      0.00001     -0.00003      0.00003     -0.00009      0.00004 
    -0.00003     -0.00004      0.00002     -0.00000      0.00009     -0.00008 
     0.00006     -0.00006      0.00011     -0.00002      0.00385     -0.24550 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4376020691
 Log product of positive Hessian eigenvalues =          520.4238219413
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8129406298
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000012
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000049
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000115
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000028
 Unscaled step for mode   17=       -0.0000000027
 Unscaled step for mode   18=       -0.0000000074
 Unscaled step for mode   19=       -0.0000000156
 Unscaled step for mode   20=       -0.0000000193
 Unscaled step for mode   21=       -0.0000000114
 Unscaled step for mode   22=        0.0000000005
 Unscaled step for mode   23=        0.0000000053
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000226
 Unscaled step for mode   26=        0.0000000351
 Unscaled step for mode   27=        0.0000000199
 Unscaled step for mode   28=        0.0000000165
 Unscaled step for mode   29=        0.0000000231
 Unscaled step for mode   30=        0.0000000182
 Unscaled step for mode   31=        0.0000000064
 Unscaled step for mode   32=        0.0000000010
 Unscaled step for mode   33=       -0.0000000148
 Unscaled step for mode   34=       -0.0000000070
 Unscaled step for mode   35=       -0.0000000455
 Unscaled step for mode   36=       -0.0000000082
 Unscaled step for mode   37=        0.0000000205
 Unscaled step for mode   38=        0.0000000111
 Unscaled step for mode   39=        0.0000000364
 Unscaled step for mode   40=       -0.0000000174
 Unscaled step for mode   41=       -0.0000000222
 Unscaled step for mode   42=        0.0000000103
 Unscaled step for mode   43=       -0.0000000086
 Unscaled step for mode   44=        0.0000000111
 Unscaled step for mode   45=       -0.0000000168
 Unscaled step for mode   46=       -0.0000000246
 Unscaled step for mode   47=        0.0000000630
 Unscaled step for mode   48=        0.0000000045
 Unscaled step for mode   49=       -0.0000000352
 Unscaled step for mode   50=       -0.0000000271
 Unscaled step for mode   51=        0.0000000268
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000309
 Unscaled step for mode   54=        0.0000000151
 Unscaled step for mode   55=       -0.0000000612
 Unscaled step for mode   56=       -0.0000000229
 Unscaled step for mode   57=        0.0000000108
 Unscaled step for mode   58=       -0.0000000529
 Unscaled step for mode   59=       -0.0000000345
 Unscaled step for mode   60=        0.0000000590
 Unscaled step for mode   61=       -0.0000000467
 Unscaled step for mode   62=       -0.0000001415
 Unscaled step for mode   63=       -0.0000000936
 Unscaled step for mode   64=       -0.0000000210
 Unscaled step for mode   65=        0.0000000108
 Unscaled step for mode   66=       -0.0000001071
 Unscaled step for mode   67=       -0.0000000085
 Unscaled step for mode   68=       -0.0000000308
 Unscaled step for mode   69=        0.0000000020
 Unscaled step for mode   70=        0.0000000570
 Unscaled step for mode   71=       -0.0000000009
 Unscaled step for mode   72=        0.0000001571
 Unscaled step for mode   73=        0.0000000604
 Unscaled step for mode   74=       -0.0000001928
 Unscaled step for mode   75=        0.0000001302
 Unscaled step for mode   76=       -0.0000001672
 Unscaled step for mode   77=       -0.0000000056
 Unscaled step for mode   78=       -0.0000003251
 Unscaled step for mode   79=        0.0000003299
 Unscaled step for mode   80=        0.0000000864
 Unscaled step for mode   81=        0.0000001086
 Unscaled step for mode   82=       -0.0000001831
 Unscaled step for mode   83=        0.0000001023
 Unscaled step for mode   84=       -0.0000001498
 Unscaled step for mode   85=        0.0000002928
 Unscaled step for mode   86=       -0.0000003852
 Unscaled step for mode   87=        0.0000000770
 Unscaled step for mode   88=       -0.0000000014
 Unscaled step for mode   89=       -0.0000003795
 Unscaled step for mode   90=       -0.0000001865
 Unscaled step for mode   91=       -0.0000000142
 Unscaled step for mode   92=        0.0000004649
 Unscaled step for mode   93=       -0.0000006001
 Unscaled step for mode   94=        0.0000002922
 Unscaled step for mode   95=        0.0000006058
 Unscaled step for mode   96=        0.0000001764
 Unscaled step for mode   97=       -0.0000004326
 Unscaled step for mode   98=       -0.0000003409
 Unscaled step for mode   99=        0.0000007190
 Unscaled step for mode  100=       -0.0000008330
 Unscaled step for mode  101=        0.0000025442
 Unscaled step for mode  102=       -0.0000012463
 Unscaled step for mode  103=        0.0000010013
 Unscaled step for mode  104=        0.0000013206
 Unscaled step for mode  105=       -0.0000007936
 Unscaled step for mode  106=        0.0000001403
 Unscaled step for mode  107=       -0.0000045532
 Unscaled step for mode  108=        0.0000050446
 Unscaled step for mode  109=       -0.0000046050
 Unscaled step for mode  110=        0.0000044588
 Unscaled step for mode  111=       -0.0000092025
 Unscaled step for mode  112=        0.0000023113
 Unscaled step for mode  113=       -0.0005062948
 Unscaled step for mode  114=       -0.0508755967
 Largest modulus ratio of non-zero e/values=           149.5914361    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.353450E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.842100E-15    0.100766E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.818831E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.649871E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.187784E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.216190E-15    0.973529E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.438116E-07    0.719975E+03 -0.608516E-10 0.100000E-04    0.819123E+00
   8   -0.830941E-06    0.670752E+03  0.123882E-08 0.100000E-04    0.997791E+00
   9    0.658728E-06    0.623556E+03 -0.105641E-08 0.100000E-04    0.992640E+00
  10    0.137006E-05    0.603490E+03 -0.227022E-08 0.100000E-04    0.992768E+00
  11   -0.959278E-06    0.589674E+03  0.162679E-08 0.100000E-04    0.996840E+00
  12    0.278411E-05    0.564238E+03 -0.493428E-08 0.100000E-04    0.998707E+00
  13    0.184613E-05    0.561895E+03 -0.328554E-08 0.100000E-04    0.998722E+00
  14   -0.549817E-05    0.478249E+03  0.114964E-07 0.100000E-04    0.997489E+00
  15    0.166080E-05    0.470123E+03 -0.353270E-08 0.100000E-04    0.996071E+00
  16    0.130149E-05    0.463290E+03 -0.280923E-08 0.100000E-04    0.983143E+00
  17    0.117030E-05    0.441494E+03 -0.265078E-08 0.100000E-04    0.979269E+00
  18    0.317679E-05    0.431629E+03 -0.736001E-08 0.100000E-04    0.996910E+00
  19    0.655641E-05    0.420421E+03 -0.155949E-07 0.100000E-04    0.992865E+00
  20    0.784369E-05    0.405773E+03 -0.193302E-07 0.100000E-04    0.996003E+00
  21    0.454559E-05    0.398347E+03 -0.114111E-07 0.100000E-04    0.992872E+00
  22   -0.190728E-06    0.388418E+03  0.491039E-09 0.100000E-04    0.900210E+00
  23   -0.192899E-05    0.366963E+03  0.525664E-08 0.100000E-04    0.998868E+00
  24    0.189413E-05    0.363875E+03 -0.520544E-08 0.100000E-04    0.999988E+00
  25   -0.795352E-05    0.352608E+03  0.225563E-07 0.100000E-04    0.993425E+00
  26   -0.120593E-04    0.343237E+03  0.351342E-07 0.100000E-04    0.991917E+00
  27   -0.646714E-05    0.324168E+03  0.199499E-07 0.100000E-04    0.994783E+00
  28   -0.531127E-05    0.322786E+03  0.164545E-07 0.100000E-04    0.997401E+00
  29   -0.735078E-05    0.318608E+03  0.230715E-07 0.100000E-04    0.993619E+00
  30   -0.575372E-05    0.316813E+03  0.181613E-07 0.100000E-04    0.984508E+00
  31   -0.196667E-05    0.305338E+03  0.644096E-08 0.100000E-04    0.990511E+00
  32   -0.281005E-06    0.287346E+03  0.977932E-09 0.100000E-04    0.925119E+00
  33    0.413149E-05    0.279912E+03 -0.147600E-07 0.100000E-04    0.991589E+00
  34    0.189150E-05    0.271478E+03 -0.696741E-08 0.100000E-04    0.984998E+00
  35    0.120908E-04    0.265768E+03 -0.454940E-07 0.100000E-04    0.993766E+00
  36    0.214207E-05    0.262181E+03 -0.817021E-08 0.100000E-04    0.982418E+00
  37   -0.528296E-05    0.257710E+03  0.204996E-07 0.100000E-04    0.992094E+00
  38   -0.281424E-05    0.253405E+03  0.111057E-07 0.100000E-04    0.997758E+00
  39   -0.887746E-05    0.243937E+03  0.363925E-07 0.100000E-04    0.992140E+00
  40    0.416087E-05    0.239376E+03 -0.173822E-07 0.100000E-04    0.986141E+00
  41    0.519660E-05    0.234326E+03 -0.221768E-07 0.100000E-04    0.985564E+00
  42   -0.234839E-05    0.228520E+03  0.102765E-07 0.100000E-04    0.988973E+00
  43    0.193293E-05    0.224547E+03 -0.860812E-08 0.100000E-04    0.992950E+00
  44   -0.235488E-05    0.212739E+03  0.110693E-07 0.100000E-04    0.986794E+00
  45    0.353878E-05    0.211190E+03 -0.167564E-07 0.100000E-04    0.997402E+00
  46    0.515417E-05    0.209760E+03 -0.245717E-07 0.100000E-04    0.990271E+00
  47   -0.127945E-04    0.202928E+03  0.630494E-07 0.100000E-04    0.992976E+00
  48   -0.885157E-06    0.198534E+03  0.445847E-08 0.100000E-04    0.986397E+00
  49    0.688433E-05    0.195374E+03 -0.352366E-07 0.100000E-04    0.991492E+00
  50    0.520176E-05    0.191630E+03 -0.271448E-07 0.100000E-04    0.990263E+00
  51   -0.498515E-05    0.186345E+03  0.267522E-07 0.100000E-04    0.994496E+00
  52    0.413468E-06    0.178056E+03 -0.232212E-08 0.100000E-04    0.994461E+00
  53   -0.527384E-05    0.170716E+03  0.308924E-07 0.100000E-04    0.995666E+00
  54   -0.254105E-05    0.168112E+03  0.151153E-07 0.100000E-04    0.988584E+00
  55    0.101470E-04    0.165739E+03 -0.612228E-07 0.100000E-04    0.993912E+00
  56    0.368396E-05    0.160577E+03 -0.229420E-07 0.100000E-04    0.990735E+00
  57   -0.166508E-05    0.153681E+03  0.108347E-07 0.100000E-04    0.996466E+00
  58    0.799273E-05    0.151044E+03 -0.529166E-07 0.100000E-04    0.991837E+00
  59    0.513216E-05    0.148642E+03 -0.345270E-07 0.100000E-04    0.996830E+00
  60   -0.840927E-05    0.142599E+03  0.589714E-07 0.100000E-04    0.995244E+00
  61    0.639094E-05    0.136912E+03 -0.466790E-07 0.100000E-04    0.989971E+00
  62    0.190701E-04    0.134743E+03 -0.141530E-06 0.100000E-04    0.993736E+00
  63    0.122674E-04    0.131004E+03 -0.936414E-07 0.100000E-04    0.991844E+00
  64    0.267997E-05    0.127683E+03 -0.209892E-07 0.100000E-04    0.987997E+00
  65   -0.136044E-05    0.125751E+03  0.108185E-07 0.100000E-04    0.997742E+00
  66    0.133479E-04    0.124638E+03 -0.107094E-06 0.100000E-04    0.992009E+00
  67    0.102058E-05    0.119425E+03 -0.854578E-08 0.100000E-04    0.997226E+00
  68    0.363119E-05    0.117953E+03 -0.307851E-07 0.100000E-04    0.991093E+00
  69   -0.231063E-06    0.116425E+03  0.198465E-08 0.100000E-04    0.907607E+00
  70   -0.642192E-05    0.112577E+03  0.570445E-07 0.100000E-04    0.990421E+00
  71    0.100362E-06    0.110121E+03 -0.911382E-09 0.100000E-04    0.804078E+00
  72   -0.165840E-04    0.105534E+03  0.157145E-06 0.100000E-04    0.989733E+00
  73   -0.621550E-05    0.102827E+03  0.604462E-07 0.100000E-04    0.987224E+00
  74    0.193725E-04    0.100471E+03 -0.192816E-06 0.100000E-04    0.992569E+00
  75   -0.126541E-04    0.972109E+02  0.130171E-06 0.100000E-04    0.990009E+00
  76    0.158932E-04    0.950508E+02 -0.167207E-06 0.100000E-04    0.992264E+00
  77    0.511578E-06    0.912562E+02 -0.560595E-08 0.100000E-04    0.995202E+00
  78    0.294673E-04    0.906531E+02 -0.325056E-06 0.100000E-04    0.992798E+00
  79   -0.291197E-04    0.882648E+02  0.329913E-06 0.100000E-04    0.995574E+00
  80   -0.729904E-05    0.844788E+02  0.864008E-07 0.100000E-04    0.990713E+00
  81   -0.878394E-05    0.808847E+02  0.108598E-06 0.100000E-04    0.991282E+00
  82    0.144862E-04    0.791212E+02 -0.183089E-06 0.100000E-04    0.995443E+00
  83   -0.804589E-05    0.786871E+02  0.102252E-06 0.100000E-04    0.997644E+00
  84    0.109350E-04    0.729988E+02 -0.149797E-06 0.100000E-04    0.988159E+00
  85   -0.208954E-04    0.713614E+02  0.292811E-06 0.100000E-04    0.991856E+00
  86    0.267025E-04    0.693185E+02 -0.385215E-06 0.100000E-04    0.993753E+00
  87   -0.521229E-05    0.677050E+02  0.769853E-07 0.100000E-04    0.992681E+00
  88    0.916039E-07    0.635004E+02 -0.144257E-08 0.100000E-04    0.925815E+00
  89    0.236011E-04    0.621892E+02 -0.379505E-06 0.100000E-04    0.992209E+00
  90    0.111240E-04    0.596590E+02 -0.186459E-06 0.100000E-04    0.988573E+00
  91    0.832368E-06    0.586020E+02 -0.142037E-07 0.100000E-04    0.980452E+00
  92   -0.259554E-04    0.558246E+02  0.464945E-06 0.100000E-04    0.991796E+00
  93    0.321770E-04    0.536231E+02 -0.600060E-06 0.100000E-04    0.994347E+00
  94   -0.152817E-04    0.522936E+02  0.292229E-06 0.100000E-04    0.987987E+00
  95   -0.304733E-04    0.503031E+02  0.605793E-06 0.100000E-04    0.995341E+00
  96   -0.846986E-05    0.480115E+02  0.176413E-06 0.100000E-04    0.997899E+00
  97    0.188662E-04    0.436103E+02 -0.432609E-06 0.100000E-04    0.991337E+00
  98    0.135809E-04    0.398399E+02 -0.340888E-06 0.100000E-04    0.993368E+00
  99   -0.269072E-04    0.374245E+02  0.718974E-06 0.100000E-04    0.982762E+00
 100    0.301522E-04    0.361958E+02 -0.833031E-06 0.100000E-04    0.995245E+00
 101   -0.885952E-04    0.348225E+02  0.254419E-05 0.100000E-04    0.994022E+00
 102    0.367233E-04    0.294663E+02 -0.124628E-05 0.100000E-04    0.989454E+00
 103   -0.290125E-04    0.289739E+02  0.100133E-05 0.100000E-04    0.993954E+00
 104   -0.379255E-04    0.287185E+02  0.132059E-05 0.100000E-04    0.993525E+00
 105    0.185643E-04    0.233934E+02 -0.793572E-06 0.100000E-04    0.990336E+00
 106   -0.307316E-05    0.219061E+02  0.140288E-06 0.100000E-04    0.941837E+00
 107    0.891787E-04    0.195860E+02 -0.455319E-05 0.100000E-04    0.992117E+00
 108   -0.840165E-04    0.166546E+02  0.504464E-05 0.100000E-04    0.998786E+00
 109    0.637949E-04    0.138533E+02 -0.460505E-05 0.100000E-04    0.995963E+00
 110   -0.560520E-04    0.125712E+02  0.445875E-05 0.100000E-04    0.979092E+00
 111    0.105370E-03    0.114501E+02 -0.920249E-05 0.100000E-04    0.995622E+00
 112   -0.217985E-04    0.943136E+01  0.231127E-05 0.100000E-04    0.981641E+00
 113    0.384572E-02    0.759581E+01 -0.122049E-04 0.122049E-04    0.108808E+00
 114   -0.245497E+00    0.481294E+01 -0.400000E-03 0.400000E-03    0.142417E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5087559672E-01

 Beginning of optimization cycle  109.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3966548874
 potential> RMS force:                                               0.0231758404   |gradient|=.2474502619    
 Eigenvalues of the Hessian matrix:
   720.03415    670.76916    623.57776    603.50518    589.67406    564.25946 
   561.93402    478.26533    470.10085    463.27821    441.49154    431.61817 
   420.42901    405.78421    398.34295    388.42233    366.96406    363.86491 
   352.59847    343.19672    324.17404    322.76377    318.59826    316.82888 
   305.33598    287.34808    279.90769    271.47154    265.76766    262.18901 
   257.71326    253.40592    243.92312    239.36410    234.33677    228.52235 
   224.52878    212.73630    211.19417    209.75053    202.93004    198.52921 
   195.37729    191.62955    186.33952    178.04145    170.71850    168.11005 
   165.73746    160.57344    153.67640    151.04314    148.64850    142.60319 
   136.91293    134.74773    131.00317    127.68263    125.75444    124.64468 
   119.42572    117.95228    116.42874    112.57007    110.11231    105.52971 
   102.82724    100.46698     97.20968     95.05163     91.24997     90.65923 
    88.27648     84.48005     80.88459     79.12460     78.68523     72.99595 
    71.36453     69.30963     67.70828     63.49783     62.18295     59.65890 
    58.60514     55.82472     53.62085     52.29224     50.30316     48.01077 
    43.60573     39.84275     37.41697     36.19684     34.82956     29.45712 
    28.97257     28.71890     23.38825     21.90696     19.58639     16.65735 
    13.85179     12.56754     11.44029      9.43324      7.59644      4.81324 
overlap for current and previous eigenvector    109 is         0.9999965589
overlap for current and previous eigenvector    110 is         0.9999924514
overlap for current and previous eigenvector    111 is         0.9999893885
overlap for current and previous eigenvector    112 is         0.9999995384
overlap for current and previous eigenvector    113 is         0.9999992468
overlap for current and previous eigenvector    114 is         0.9999993269
J1,K1,R1,R2,RAT=   7   7    0.1378900665         1.861944807        0.8619448072    
FOB,PFOB,DIAG,PSTEP=    0.3776993439E-07    0.4381162047E-07     720.0341492       -0.6085161106E-10
J1,K1,R1,R2,RAT=   8   8   -0.2780786640E-01     2.027756205        0.9721921336    
FOB,PFOB,DIAG,PSTEP=   -0.8540480215E-06   -0.8309407357E-06     670.7691606        0.1238819923E-08
J1,K1,R1,R2,RAT=   9   9   -0.1392044370E-01     2.013850802        0.9860795563    
FOB,PFOB,DIAG,PSTEP=    0.6678981147E-06    0.6587280093E-06     623.5777614       -0.1056405453E-08
J1,K1,R1,R2,RAT=  10  10    0.9163948204E-03     1.999032511        0.9990325113    
FOB,PFOB,DIAG,PSTEP=    0.1368800915E-05    0.1370056460E-05     603.5051839       -0.2270223186E-08
J1,K1,R1,R2,RAT=  11  11    0.5018093647E-04     1.999950218        0.9999498191    
FOB,PFOB,DIAG,PSTEP=   -0.9592302659E-06   -0.9592784034E-06     589.6740580        0.1626793988E-08
J1,K1,R1,R2,RAT= 109 109   -0.4290727205E-02     2.004502858        0.9957092728    
FOB,PFOB,DIAG,PSTEP=    0.6406863874E-04    0.6379494108E-04     13.85179124       -0.4605048854E-05
J1,K1,R1,R2,RAT= 110 110   -0.1293581072E-01     2.013523497        0.9870641893    
FOB,PFOB,DIAG,PSTEP=   -0.5677687042E-04   -0.5605200528E-04     12.56753514        0.4458753367E-05
J1,K1,R1,R2,RAT= 111 111   -0.8092631984E-02     2.009813952        0.9919073680    
FOB,PFOB,DIAG,PSTEP=    0.1062216884E-03    0.1053697035E-03     11.44028606       -0.9202487896E-05
J1,K1,R1,R2,RAT= 112 112    0.5611800158E-02     1.993988849        0.9939888489    
FOB,PFOB,DIAG,PSTEP=   -0.2167610206E-04   -0.2179845507E-04     9.433243877        0.2311273708E-05
J1,K1,R1,R2,RAT= 113 113   -0.7381424015         83.69716461        0.2618575985    
FOB,PFOB,DIAG,PSTEP=    0.3914156788E-02    0.3845720841E-02     7.596437725       -0.1220489774E-04
J1,K1,R1,R2,RAT= 114 114    0.9985635516        -256.0206157        0.1436448438E-02
FOB,PFOB,DIAG,PSTEP=   -0.2474191838       -0.2454966520         4.813243598       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001      0.00000      0.00000     -0.00001     -0.00001     -0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000      0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00000      0.00002 
     0.00001     -0.00002      0.00001     -0.00002      0.00000     -0.00003 
     0.00003     -0.00001     -0.00001     -0.00001      0.00001     -0.00001 
     0.00002     -0.00003     -0.00001     -0.00000      0.00002      0.00001 
     0.00000     -0.00003      0.00003     -0.00002     -0.00003     -0.00001 
     0.00002      0.00001      0.00003      0.00003     -0.00009      0.00004 
    -0.00003     -0.00004      0.00002      0.00000     -0.00009      0.00008 
     0.00006     -0.00006      0.00011     -0.00002      0.00391     -0.24742 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4376433991
 Log product of positive Hessian eigenvalues =          520.4221932132
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8132435979
 Unscaled step for mode    7=       -0.0000000001
 Unscaled step for mode    8=        0.0000000013
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000050
 Unscaled step for mode   13=       -0.0000000033
 Unscaled step for mode   14=        0.0000000115
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000028
 Unscaled step for mode   17=       -0.0000000027
 Unscaled step for mode   18=       -0.0000000074
 Unscaled step for mode   19=       -0.0000000157
 Unscaled step for mode   20=       -0.0000000194
 Unscaled step for mode   21=       -0.0000000115
 Unscaled step for mode   22=        0.0000000004
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000227
 Unscaled step for mode   26=        0.0000000354
 Unscaled step for mode   27=        0.0000000201
 Unscaled step for mode   28=        0.0000000164
 Unscaled step for mode   29=        0.0000000233
 Unscaled step for mode   30=        0.0000000184
 Unscaled step for mode   31=        0.0000000066
 Unscaled step for mode   32=        0.0000000010
 Unscaled step for mode   33=       -0.0000000149
 Unscaled step for mode   34=       -0.0000000070
 Unscaled step for mode   35=       -0.0000000459
 Unscaled step for mode   36=       -0.0000000083
 Unscaled step for mode   37=        0.0000000207
 Unscaled step for mode   38=        0.0000000112
 Unscaled step for mode   39=        0.0000000366
 Unscaled step for mode   40=       -0.0000000177
 Unscaled step for mode   41=       -0.0000000225
 Unscaled step for mode   42=        0.0000000104
 Unscaled step for mode   43=       -0.0000000087
 Unscaled step for mode   44=        0.0000000114
 Unscaled step for mode   45=       -0.0000000168
 Unscaled step for mode   46=       -0.0000000250
 Unscaled step for mode   47=        0.0000000636
 Unscaled step for mode   48=        0.0000000044
 Unscaled step for mode   49=       -0.0000000356
 Unscaled step for mode   50=       -0.0000000273
 Unscaled step for mode   51=        0.0000000270
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000311
 Unscaled step for mode   54=        0.0000000154
 Unscaled step for mode   55=       -0.0000000617
 Unscaled step for mode   56=       -0.0000000230
 Unscaled step for mode   57=       -0.0000000110
 Unscaled step for mode   58=        0.0000000533
 Unscaled step for mode   59=        0.0000000349
 Unscaled step for mode   60=        0.0000000596
 Unscaled step for mode   61=        0.0000000470
 Unscaled step for mode   62=        0.0000001423
 Unscaled step for mode   63=        0.0000000941
 Unscaled step for mode   64=        0.0000000213
 Unscaled step for mode   65=       -0.0000000106
 Unscaled step for mode   66=        0.0000001078
 Unscaled step for mode   67=        0.0000000087
 Unscaled step for mode   68=       -0.0000000310
 Unscaled step for mode   69=        0.0000000019
 Unscaled step for mode   70=        0.0000000578
 Unscaled step for mode   71=        0.0000000010
 Unscaled step for mode   72=       -0.0000001583
 Unscaled step for mode   73=       -0.0000000613
 Unscaled step for mode   74=        0.0000001939
 Unscaled step for mode   75=       -0.0000001318
 Unscaled step for mode   76=        0.0000001686
 Unscaled step for mode   77=       -0.0000000060
 Unscaled step for mode   78=        0.0000003282
 Unscaled step for mode   79=       -0.0000003311
 Unscaled step for mode   80=        0.0000000873
 Unscaled step for mode   81=        0.0000001094
 Unscaled step for mode   82=        0.0000001836
 Unscaled step for mode   83=       -0.0000001026
 Unscaled step for mode   84=        0.0000001510
 Unscaled step for mode   85=       -0.0000002944
 Unscaled step for mode   86=        0.0000003876
 Unscaled step for mode   87=        0.0000000758
 Unscaled step for mode   88=        0.0000000016
 Unscaled step for mode   89=       -0.0000003820
 Unscaled step for mode   90=       -0.0000001874
 Unscaled step for mode   91=       -0.0000000139
 Unscaled step for mode   92=        0.0000004697
 Unscaled step for mode   93=       -0.0000006022
 Unscaled step for mode   94=        0.0000002944
 Unscaled step for mode   95=        0.0000006076
 Unscaled step for mode   96=        0.0000001776
 Unscaled step for mode   97=       -0.0000004352
 Unscaled step for mode   98=       -0.0000003431
 Unscaled step for mode   99=       -0.0000007272
 Unscaled step for mode  100=       -0.0000008351
 Unscaled step for mode  101=        0.0000025585
 Unscaled step for mode  102=       -0.0000012524
 Unscaled step for mode  103=        0.0000010060
 Unscaled step for mode  104=        0.0000013234
 Unscaled step for mode  105=       -0.0000008036
 Unscaled step for mode  106=       -0.0000001307
 Unscaled step for mode  107=        0.0000045775
 Unscaled step for mode  108=       -0.0000050456
 Unscaled step for mode  109=       -0.0000046253
 Unscaled step for mode  110=        0.0000045177
 Unscaled step for mode  111=       -0.0000092849
 Unscaled step for mode  112=        0.0000022978
 Unscaled step for mode  113=       -0.0005152620
 Unscaled step for mode  114=       -0.0512687218
 Largest modulus ratio of non-zero e/values=           149.5943711    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.495914E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.393240E-15    0.100766E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.216840E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.877038E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.620580E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.664250E-15    0.973531E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.377699E-07    0.720034E+03 -0.524558E-10 0.100000E-04    0.861945E+00
   8   -0.854048E-06    0.670769E+03  0.127324E-08 0.100000E-04    0.972192E+00
   9    0.667898E-06    0.623578E+03 -0.107107E-08 0.100000E-04    0.986080E+00
  10    0.136880E-05    0.603505E+03 -0.226808E-08 0.100000E-04    0.999033E+00
  11   -0.959230E-06    0.589674E+03  0.162671E-08 0.100000E-04    0.999950E+00
  12    0.279994E-05    0.564259E+03 -0.496215E-08 0.100000E-04    0.994316E+00
  13    0.182634E-05    0.561934E+03 -0.325010E-08 0.100000E-04    0.989144E+00
  14   -0.550620E-05    0.478265E+03  0.115129E-07 0.100000E-04    0.998538E+00
  15    0.167161E-05    0.470101E+03 -0.355586E-08 0.100000E-04    0.993492E+00
  16    0.131164E-05    0.463278E+03 -0.283121E-08 0.100000E-04    0.992201E+00
  17    0.117616E-05    0.441492E+03 -0.266406E-08 0.100000E-04    0.994998E+00
  18    0.319571E-05    0.431618E+03 -0.740401E-08 0.100000E-04    0.994045E+00
  19    0.659786E-05    0.420429E+03 -0.156932E-07 0.100000E-04    0.993678E+00
  20    0.786177E-05    0.405784E+03 -0.193743E-07 0.100000E-04    0.997695E+00
  21    0.457122E-05    0.398343E+03 -0.114756E-07 0.100000E-04    0.994360E+00
  22   -0.174490E-06    0.388422E+03  0.449227E-09 0.100000E-04    0.914838E+00
  23   -0.192375E-05    0.366964E+03  0.524234E-08 0.100000E-04    0.997274E+00
  24    0.189526E-05    0.363865E+03 -0.520868E-08 0.100000E-04    0.999406E+00
  25   -0.800988E-05    0.352598E+03  0.227167E-07 0.100000E-04    0.992914E+00
  26   -0.121547E-04    0.343197E+03  0.354162E-07 0.100000E-04    0.992089E+00
  27   -0.651095E-05    0.324174E+03  0.200847E-07 0.100000E-04    0.993225E+00
  28   -0.530281E-05    0.322764E+03  0.164294E-07 0.100000E-04    0.998408E+00
  29   -0.742162E-05    0.318598E+03  0.232946E-07 0.100000E-04    0.990363E+00
  30   -0.584060E-05    0.316829E+03  0.184345E-07 0.100000E-04    0.984901E+00
  31   -0.200337E-05    0.305336E+03  0.656121E-08 0.100000E-04    0.981337E+00
  32   -0.293772E-06    0.287348E+03  0.102236E-08 0.100000E-04    0.954564E+00
  33    0.415781E-05    0.279908E+03 -0.148542E-07 0.100000E-04    0.993630E+00
  34    0.190062E-05    0.271472E+03 -0.700119E-08 0.100000E-04    0.995176E+00
  35    0.121857E-04    0.265768E+03 -0.458510E-07 0.100000E-04    0.992152E+00
  36    0.217009E-05    0.262189E+03 -0.827681E-08 0.100000E-04    0.986923E+00
  37   -0.533046E-05    0.257713E+03  0.206837E-07 0.100000E-04    0.991008E+00
  38   -0.283717E-05    0.253406E+03  0.111961E-07 0.100000E-04    0.991854E+00
  39   -0.893745E-05    0.243923E+03  0.366404E-07 0.100000E-04    0.993243E+00
  40    0.423082E-05    0.239364E+03 -0.176752E-07 0.100000E-04    0.983188E+00
  41    0.526861E-05    0.234337E+03 -0.224831E-07 0.100000E-04    0.986143E+00
  42   -0.237758E-05    0.228522E+03  0.104042E-07 0.100000E-04    0.987570E+00
  43    0.196259E-05    0.224529E+03 -0.874095E-08 0.100000E-04    0.984653E+00
  44   -0.243495E-05    0.212736E+03  0.114459E-07 0.100000E-04    0.965997E+00
  45    0.354877E-05    0.211194E+03 -0.168033E-07 0.100000E-04    0.997178E+00
  46    0.523415E-05    0.209751E+03 -0.249542E-07 0.100000E-04    0.984480E+00
  47   -0.129137E-04    0.202930E+03  0.636363E-07 0.100000E-04    0.990680E+00
  48   -0.872697E-06    0.198529E+03  0.439581E-08 0.100000E-04    0.985923E+00
  49    0.695926E-05    0.195377E+03 -0.356196E-07 0.100000E-04    0.989116E+00
  50    0.522231E-05    0.191630E+03 -0.272521E-07 0.100000E-04    0.996050E+00
  51   -0.503441E-05    0.186340E+03  0.270174E-07 0.100000E-04    0.990118E+00
  52    0.409799E-06    0.178041E+03 -0.230171E-08 0.100000E-04    0.991126E+00
  53   -0.531411E-05    0.170718E+03  0.311279E-07 0.100000E-04    0.992364E+00
  54   -0.258490E-05    0.168110E+03  0.153762E-07 0.100000E-04    0.982745E+00
  55    0.102219E-04    0.165737E+03 -0.616750E-07 0.100000E-04    0.992621E+00
  56    0.369730E-05    0.160573E+03 -0.230256E-07 0.100000E-04    0.996379E+00
  57    0.168505E-05    0.153676E+03 -0.109649E-07 0.100000E-04    0.988010E+00
  58   -0.804477E-05    0.151043E+03  0.532614E-07 0.100000E-04    0.993490E+00
  59   -0.518285E-05    0.148649E+03  0.348665E-07 0.100000E-04    0.990122E+00
  60   -0.849659E-05    0.142603E+03  0.595820E-07 0.100000E-04    0.989616E+00
  61   -0.643603E-05    0.136913E+03  0.470082E-07 0.100000E-04    0.992944E+00
  62   -0.191800E-04    0.134748E+03  0.142340E-06 0.100000E-04    0.994239E+00
  63   -0.123310E-04    0.131003E+03  0.941273E-07 0.100000E-04    0.994818E+00
  64   -0.272115E-05    0.127683E+03  0.213119E-07 0.100000E-04    0.984633E+00
  65    0.133579E-05    0.125754E+03 -0.106222E-07 0.100000E-04    0.981822E+00
  66   -0.134351E-04    0.124645E+03  0.107787E-06 0.100000E-04    0.993466E+00
  67   -0.103722E-05    0.119426E+03  0.868508E-08 0.100000E-04    0.983696E+00
  68    0.365992E-05    0.117952E+03 -0.310288E-07 0.100000E-04    0.992089E+00
  69   -0.217276E-06    0.116429E+03  0.186618E-08 0.100000E-04    0.940271E+00
  70   -0.651154E-05    0.112570E+03  0.578443E-07 0.100000E-04    0.986043E+00
  71   -0.107919E-06    0.110112E+03  0.980083E-09 0.100000E-04    0.924693E+00
  72    0.167025E-04    0.105530E+03 -0.158273E-06 0.100000E-04    0.992855E+00
  73    0.630343E-05    0.102827E+03 -0.613011E-07 0.100000E-04    0.985853E+00
  74   -0.194820E-04    0.100467E+03  0.193915E-06 0.100000E-04    0.994345E+00
  75    0.128153E-04    0.972097E+02 -0.131831E-06 0.100000E-04    0.987261E+00
  76   -0.160226E-04    0.950516E+02  0.168567E-06 0.100000E-04    0.991860E+00
  77    0.550841E-06    0.912500E+02 -0.603662E-08 0.100000E-04    0.923246E+00
  78   -0.297515E-04    0.906592E+02  0.328168E-06 0.100000E-04    0.990358E+00
  79    0.292251E-04    0.882765E+02 -0.331063E-06 0.100000E-04    0.996380E+00
  80   -0.737759E-05    0.844801E+02  0.873293E-07 0.100000E-04    0.989238E+00
  81   -0.884691E-05    0.808846E+02  0.109377E-06 0.100000E-04    0.992831E+00
  82   -0.145235E-04    0.791246E+02  0.183552E-06 0.100000E-04    0.997426E+00
  83    0.807691E-05    0.786852E+02 -0.102648E-06 0.100000E-04    0.996144E+00
  84   -0.110217E-04    0.729960E+02  0.150990E-06 0.100000E-04    0.992070E+00
  85    0.210125E-04    0.713645E+02 -0.294439E-06 0.100000E-04    0.994397E+00
  86   -0.268644E-04    0.693096E+02  0.387599E-06 0.100000E-04    0.993938E+00
  87   -0.512979E-05    0.677083E+02  0.757631E-07 0.100000E-04    0.984076E+00
  88   -0.102407E-06    0.634978E+02  0.161276E-08 0.100000E-04    0.882067E+00
  89    0.237548E-04    0.621830E+02 -0.382014E-06 0.100000E-04    0.993488E+00
  90    0.111779E-04    0.596589E+02 -0.187363E-06 0.100000E-04    0.995153E+00
  91    0.813531E-06    0.586051E+02 -0.138816E-07 0.100000E-04    0.977265E+00
  92   -0.262187E-04    0.558247E+02  0.469660E-06 0.100000E-04    0.989856E+00
  93    0.322878E-04    0.536208E+02 -0.602151E-06 0.100000E-04    0.996556E+00
  94   -0.153951E-04    0.522922E+02  0.294404E-06 0.100000E-04    0.992583E+00
  95   -0.305659E-04    0.503032E+02  0.607634E-06 0.100000E-04    0.996961E+00
  96   -0.852529E-05    0.480108E+02  0.177570E-06 0.100000E-04    0.993455E+00
  97    0.189777E-04    0.436057E+02 -0.435211E-06 0.100000E-04    0.994090E+00
  98    0.136719E-04    0.398428E+02 -0.343146E-06 0.100000E-04    0.993303E+00
  99    0.272085E-04    0.374170E+02 -0.727169E-06 0.100000E-04    0.988803E+00
 100    0.302277E-04    0.361968E+02 -0.835092E-06 0.100000E-04    0.997498E+00
 101   -0.891106E-04    0.348296E+02  0.255848E-05 0.100000E-04    0.994183E+00
 102    0.368919E-04    0.294571E+02 -0.125239E-05 0.100000E-04    0.995407E+00
 103   -0.291454E-04    0.289726E+02  0.100597E-05 0.100000E-04    0.995419E+00
 104   -0.380079E-04    0.287189E+02  0.132345E-05 0.100000E-04    0.997825E+00
 105    0.187956E-04    0.233882E+02 -0.803633E-06 0.100000E-04    0.987542E+00
 106    0.286221E-05    0.219070E+02 -0.130653E-06 0.100000E-04    0.931282E+00
 107   -0.896567E-04    0.195864E+02  0.457750E-05 0.100000E-04    0.994641E+00
 108    0.840455E-04    0.166573E+02 -0.504555E-05 0.100000E-04    0.999655E+00
 109    0.640686E-04    0.138518E+02 -0.462530E-05 0.100000E-04    0.995709E+00
 110   -0.567769E-04    0.125675E+02  0.451774E-05 0.100000E-04    0.987064E+00
 111    0.106222E-03    0.114403E+02 -0.928488E-05 0.100000E-04    0.991907E+00
 112   -0.216761E-04    0.943324E+01  0.229784E-05 0.100000E-04    0.993989E+00
 113    0.391416E-02    0.759644E+01 -0.109954E-04 0.109954E-04    0.261858E+00
 114   -0.247419E+00    0.481324E+01 -0.400000E-03 0.400000E-03    0.143645E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5126872180E-01

 Beginning of optimization cycle  110.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3965555787
 potential> RMS force:                                               0.0233560029   |gradient|=.2493738709    
 Eigenvalues of the Hessian matrix:
   720.09367    670.78652    623.59944    603.52034    589.67397    564.28050 
   561.97255    478.28158    470.07838    463.26681    441.48884    431.60771 
   420.43678    405.79503    398.33926    388.42675    366.96552    363.85451 
   352.58882    343.15677    324.17961    322.74219    318.58824    316.84474 
   305.33377    287.35025    279.90381    271.46485    265.76733    262.19700 
   257.71611    253.40731    243.90948    239.35248    234.34761    228.52501 
   224.51014    212.73333    211.19825    209.74048    202.93243    198.52444 
   195.38013    191.62889    186.33359    178.02667    170.72062    168.10832 
   165.73618    160.56998    153.67165    151.04237    148.65524    142.60735 
   136.91345    134.75241    131.00227    127.68200    125.75795    124.65182 
   119.42609    117.95181    116.43257    112.56283    110.10405    105.52584 
   102.82754    100.46262     97.20839     95.05253     91.24369     90.66537 
    88.28810     84.48134     80.88447     79.12799     78.68337     72.99310 
    71.36765     69.30072     67.71161     63.49531     62.17674     59.65879 
    58.60825     55.82491     53.61864     52.29093     50.30323     48.01005 
    43.60118     39.84563     37.40947     36.19789     34.83669     29.44799 
    28.97126     28.71929     23.38309     21.90779     19.58689     16.66005 
    13.85035     12.56387     11.43040      9.43512      7.59707      4.81352 
overlap for current and previous eigenvector    109 is        -0.9999966145
overlap for current and previous eigenvector    110 is         0.9999925818
overlap for current and previous eigenvector    111 is         0.9999895386
overlap for current and previous eigenvector    112 is        -0.9999995336
overlap for current and previous eigenvector    113 is         0.9999992413
overlap for current and previous eigenvector    114 is        -0.9999993296
J1,K1,R1,R2,RAT=   7   7    0.2606179088         1.739216770        0.7392167703    
FOB,PFOB,DIAG,PSTEP=    0.2792559934E-07    0.3776993439E-07     720.0936724       -0.5245575427E-10
J1,K1,R1,R2,RAT=   8   8   -0.2447091739E-02     2.002395333        0.9975529083    
FOB,PFOB,DIAG,PSTEP=   -0.8561380095E-06   -0.8540480215E-06     670.7865200        0.1273236863E-08
J1,K1,R1,R2,RAT=   9   9    0.7098181530E-02     1.992832290        0.9928322898    
FOB,PFOB,DIAG,PSTEP=    0.6631570879E-06    0.6678981147E-06     623.5994404       -0.1071074301E-08
J1,K1,R1,R2,RAT=  10  10   -0.7147657481E-02     2.007097432        0.9928523425    
FOB,PFOB,DIAG,PSTEP=    0.1378584881E-05    0.1368800915E-05     603.5203401       -0.2268084768E-08
J1,K1,R1,R2,RAT=  11  11   -0.3133548525E-02     2.003133855        0.9968664515    
FOB,PFOB,DIAG,PSTEP=   -0.9622360600E-06   -0.9592302659E-06     589.6739677        0.1626712678E-08
J1,K1,R1,R2,RAT= 109 109     2.004110456       -0.3901719354E-02    0.9960982806    
FOB,PFOB,DIAG,PSTEP=   -0.6431859051E-04    0.6406863874E-04     13.85034571       -0.4625296298E-05
J1,K1,R1,R2,RAT= 110 110   -0.2039334610E-01     2.020976398        0.9796066539    
FOB,PFOB,DIAG,PSTEP=   -0.5793440333E-04   -0.5677687042E-04     12.56387244        0.4517741131E-05
J1,K1,R1,R2,RAT= 111 111   -0.4133655584E-02     2.005864065        0.9958663444    
FOB,PFOB,DIAG,PSTEP=    0.1066603927E-03    0.1062216884E-03     11.43039642       -0.9284880457E-05
J1,K1,R1,R2,RAT= 112 112     1.980814908        0.1878755447E-01    0.9808149082    
FOB,PFOB,DIAG,PSTEP=    0.2126878015E-04   -0.2167610206E-04     9.435119283        0.2297841797E-05
J1,K1,R1,R2,RAT= 113 113   -0.9391385880         94.65453824        0.6086141203E-01
FOB,PFOB,DIAG,PSTEP=    0.3992605703E-02    0.3914156788E-02     7.597069263       -0.1099540337E-04
J1,K1,R1,R2,RAT= 114 114    -258.0030339        0.9985437359        0.1456264084E-02
FOB,PFOB,DIAG,PSTEP=    0.2493417874       -0.2474191838         4.813518700       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000     -0.00000      0.00001      0.00001     -0.00001 
    -0.00001      0.00002      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000      0.00001      0.00000     -0.00002 
     0.00001     -0.00002     -0.00001     -0.00002     -0.00000     -0.00003 
    -0.00003     -0.00001      0.00001     -0.00001      0.00001      0.00001 
    -0.00002     -0.00003     -0.00001     -0.00000     -0.00002     -0.00001 
     0.00000     -0.00003      0.00003     -0.00002     -0.00003     -0.00001 
     0.00002     -0.00001      0.00003     -0.00003     -0.00009     -0.00004 
     0.00003     -0.00004      0.00002     -0.00000      0.00009      0.00008 
    -0.00006     -0.00006      0.00011      0.00002      0.00399      0.24934 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4376809351
 Log product of positive Hessian eigenvalues =          520.4205670476
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8135186999
 Unscaled step for mode    7=       -0.0000000000
 Unscaled step for mode    8=        0.0000000013
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000050
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000115
 Unscaled step for mode   15=       -0.0000000035
 Unscaled step for mode   16=       -0.0000000029
 Unscaled step for mode   17=       -0.0000000027
 Unscaled step for mode   18=       -0.0000000074
 Unscaled step for mode   19=       -0.0000000158
 Unscaled step for mode   20=       -0.0000000194
 Unscaled step for mode   21=       -0.0000000116
 Unscaled step for mode   22=        0.0000000004
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000229
 Unscaled step for mode   26=        0.0000000357
 Unscaled step for mode   27=        0.0000000202
 Unscaled step for mode   28=        0.0000000164
 Unscaled step for mode   29=        0.0000000234
 Unscaled step for mode   30=        0.0000000187
 Unscaled step for mode   31=        0.0000000066
 Unscaled step for mode   32=        0.0000000011
 Unscaled step for mode   33=       -0.0000000150
 Unscaled step for mode   34=       -0.0000000071
 Unscaled step for mode   35=       -0.0000000461
 Unscaled step for mode   36=       -0.0000000084
 Unscaled step for mode   37=        0.0000000208
 Unscaled step for mode   38=        0.0000000112
 Unscaled step for mode   39=        0.0000000369
 Unscaled step for mode   40=       -0.0000000179
 Unscaled step for mode   41=       -0.0000000228
 Unscaled step for mode   42=        0.0000000105
 Unscaled step for mode   43=       -0.0000000088
 Unscaled step for mode   44=        0.0000000116
 Unscaled step for mode   45=       -0.0000000168
 Unscaled step for mode   46=       -0.0000000252
 Unscaled step for mode   47=        0.0000000641
 Unscaled step for mode   48=        0.0000000043
 Unscaled step for mode   49=       -0.0000000359
 Unscaled step for mode   50=       -0.0000000275
 Unscaled step for mode   51=        0.0000000272
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000313
 Unscaled step for mode   54=       -0.0000000155
 Unscaled step for mode   55=        0.0000000620
 Unscaled step for mode   56=       -0.0000000232
 Unscaled step for mode   57=        0.0000000110
 Unscaled step for mode   58=       -0.0000000537
 Unscaled step for mode   59=       -0.0000000350
 Unscaled step for mode   60=        0.0000000599
 Unscaled step for mode   61=        0.0000000475
 Unscaled step for mode   62=       -0.0000001432
 Unscaled step for mode   63=       -0.0000000949
 Unscaled step for mode   64=       -0.0000000216
 Unscaled step for mode   65=        0.0000000106
 Unscaled step for mode   66=        0.0000001086
 Unscaled step for mode   67=       -0.0000000087
 Unscaled step for mode   68=       -0.0000000313
 Unscaled step for mode   69=       -0.0000000017
 Unscaled step for mode   70=       -0.0000000584
 Unscaled step for mode   71=       -0.0000000011
 Unscaled step for mode   72=        0.0000001599
 Unscaled step for mode   73=       -0.0000000621
 Unscaled step for mode   74=        0.0000001953
 Unscaled step for mode   75=        0.0000001331
 Unscaled step for mode   76=        0.0000001698
 Unscaled step for mode   77=        0.0000000060
 Unscaled step for mode   78=        0.0000003305
 Unscaled step for mode   79=        0.0000003324
 Unscaled step for mode   80=        0.0000000881
 Unscaled step for mode   81=       -0.0000001103
 Unscaled step for mode   82=        0.0000001843
 Unscaled step for mode   83=       -0.0000001024
 Unscaled step for mode   84=       -0.0000001528
 Unscaled step for mode   85=        0.0000002968
 Unscaled step for mode   86=        0.0000003900
 Unscaled step for mode   87=        0.0000000751
 Unscaled step for mode   88=        0.0000000026
 Unscaled step for mode   89=        0.0000003850
 Unscaled step for mode   90=        0.0000001895
 Unscaled step for mode   91=       -0.0000000136
 Unscaled step for mode   92=        0.0000004735
 Unscaled step for mode   93=       -0.0000006055
 Unscaled step for mode   94=        0.0000002979
 Unscaled step for mode   95=        0.0000006104
 Unscaled step for mode   96=        0.0000001779
 Unscaled step for mode   97=       -0.0000004390
 Unscaled step for mode   98=        0.0000003454
 Unscaled step for mode   99=       -0.0000007397
 Unscaled step for mode  100=        0.0000008388
 Unscaled step for mode  101=        0.0000025729
 Unscaled step for mode  102=        0.0000012660
 Unscaled step for mode  103=       -0.0000010118
 Unscaled step for mode  104=        0.0000013318
 Unscaled step for mode  105=       -0.0000008115
 Unscaled step for mode  106=        0.0000001383
 Unscaled step for mode  107=       -0.0000046126
 Unscaled step for mode  108=       -0.0000050392
 Unscaled step for mode  109=        0.0000046438
 Unscaled step for mode  110=        0.0000046112
 Unscaled step for mode  111=       -0.0000093313
 Unscaled step for mode  112=       -0.0000022542
 Unscaled step for mode  113=       -0.0005255454
 Unscaled step for mode  114=        0.0516620621
 Largest modulus ratio of non-zero e/values=           149.5981874    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.128586E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.143874E-15    0.100766E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.451895E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.187784E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.381870E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.140106E-15    0.973532E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.279256E-07    0.720094E+03 -0.387805E-10 0.100000E-04    0.739217E+00
   8   -0.856138E-06    0.670787E+03  0.127632E-08 0.100000E-04    0.997553E+00
   9    0.663157E-06    0.623599E+03 -0.106343E-08 0.100000E-04    0.992832E+00
  10    0.137858E-05    0.603520E+03 -0.228424E-08 0.100000E-04    0.992852E+00
  11   -0.962236E-06    0.589674E+03  0.163181E-08 0.100000E-04    0.996866E+00
  12    0.280361E-05    0.564281E+03 -0.496847E-08 0.100000E-04    0.998688E+00
  13    0.182360E-05    0.561973E+03 -0.324501E-08 0.100000E-04    0.998364E+00
  14   -0.551944E-05    0.478282E+03  0.115401E-07 0.100000E-04    0.997597E+00
  15    0.166512E-05    0.470078E+03 -0.354223E-08 0.100000E-04    0.996118E+00
  16    0.133330E-05    0.463267E+03 -0.287803E-08 0.100000E-04    0.983487E+00
  17    0.119993E-05    0.441489E+03 -0.271792E-08 0.100000E-04    0.979786E+00
  18    0.320557E-05    0.431608E+03 -0.742705E-08 0.100000E-04    0.996913E+00
  19    0.664444E-05    0.420437E+03 -0.158037E-07 0.100000E-04    0.992941E+00
  20    0.789247E-05    0.405795E+03 -0.194494E-07 0.100000E-04    0.996095E+00
  21    0.460323E-05    0.398339E+03 -0.115561E-07 0.100000E-04    0.992997E+00
  22   -0.153018E-06    0.388427E+03  0.393942E-09 0.100000E-04    0.876923E+00
  23   -0.192143E-05    0.366966E+03  0.523600E-08 0.100000E-04    0.998786E+00
  24    0.189496E-05    0.363855E+03 -0.520803E-08 0.100000E-04    0.999845E+00
  25   -0.806199E-05    0.352589E+03  0.228651E-07 0.100000E-04    0.993493E+00
  26   -0.122519E-04    0.343157E+03  0.357035E-07 0.100000E-04    0.992004E+00
  27   -0.654498E-05    0.324180E+03  0.201894E-07 0.100000E-04    0.994774E+00
  28   -0.528624E-05    0.322742E+03  0.163791E-07 0.100000E-04    0.996876E+00
  29   -0.746490E-05    0.318588E+03  0.234312E-07 0.100000E-04    0.994168E+00
  30   -0.593341E-05    0.316845E+03  0.187266E-07 0.100000E-04    0.984109E+00
  31   -0.202237E-05    0.305334E+03  0.662346E-08 0.100000E-04    0.990521E+00
  32   -0.313573E-06    0.287350E+03  0.109126E-08 0.100000E-04    0.932599E+00
  33    0.419242E-05    0.279904E+03 -0.149781E-07 0.100000E-04    0.991675E+00
  34    0.192874E-05    0.271465E+03 -0.710494E-08 0.100000E-04    0.985206E+00
  35    0.122605E-04    0.265767E+03 -0.461324E-07 0.100000E-04    0.993864E+00
  36    0.220764E-05    0.262197E+03 -0.841977E-08 0.100000E-04    0.982697E+00
  37   -0.537235E-05    0.257716E+03  0.208460E-07 0.100000E-04    0.992141E+00
  38   -0.284349E-05    0.253407E+03  0.112210E-07 0.100000E-04    0.997772E+00
  39   -0.900641E-05    0.243909E+03  0.369252E-07 0.100000E-04    0.992284E+00
  40    0.428848E-05    0.239352E+03 -0.179170E-07 0.100000E-04    0.986370E+00
  41    0.534368E-05    0.234348E+03 -0.228024E-07 0.100000E-04    0.985753E+00
  42   -0.240331E-05    0.228525E+03  0.105166E-07 0.100000E-04    0.989180E+00
  43    0.197661E-05    0.224510E+03 -0.880412E-08 0.100000E-04    0.992856E+00
  44   -0.246689E-05    0.212733E+03  0.115961E-07 0.100000E-04    0.986885E+00
  45    0.355816E-05    0.211198E+03 -0.168475E-07 0.100000E-04    0.997352E+00
  46    0.528409E-05    0.209740E+03 -0.251935E-07 0.100000E-04    0.990459E+00
  47   -0.130033E-04    0.202932E+03  0.640769E-07 0.100000E-04    0.993064E+00
  48   -0.860146E-06    0.198524E+03  0.433269E-08 0.100000E-04    0.985618E+00
  49    0.701772E-05    0.195380E+03 -0.359183E-07 0.100000E-04    0.991600E+00
  50    0.527258E-05    0.191629E+03 -0.275145E-07 0.100000E-04    0.990375E+00
  51   -0.506200E-05    0.186334E+03  0.271663E-07 0.100000E-04    0.994519E+00
  52    0.407452E-06    0.178027E+03 -0.228871E-08 0.100000E-04    0.994271E+00
  53   -0.533704E-05    0.170721E+03  0.312618E-07 0.100000E-04    0.995686E+00
  54    0.261399E-05    0.168108E+03 -0.155494E-07 0.100000E-04    0.988745E+00
  55   -0.102832E-04    0.165736E+03  0.620455E-07 0.100000E-04    0.994000E+00
  56    0.373080E-05    0.160570E+03 -0.232348E-07 0.100000E-04    0.990938E+00
  57   -0.169149E-05    0.153672E+03  0.110072E-07 0.100000E-04    0.996176E+00
  58    0.810979E-05    0.151042E+03 -0.536922E-07 0.100000E-04    0.991917E+00
  59    0.519887E-05    0.148655E+03 -0.349727E-07 0.100000E-04    0.996910E+00
  60   -0.853690E-05    0.142607E+03  0.598630E-07 0.100000E-04    0.995256E+00
  61   -0.650002E-05    0.136913E+03  0.474754E-07 0.100000E-04    0.990058E+00
  62    0.192983E-04    0.134752E+03 -0.143213E-06 0.100000E-04    0.993833E+00
  63    0.124300E-04    0.131002E+03 -0.948842E-07 0.100000E-04    0.991965E+00
  64    0.275394E-05    0.127682E+03 -0.215687E-07 0.100000E-04    0.987953E+00
  65   -0.133203E-05    0.125758E+03  0.105920E-07 0.100000E-04    0.997134E+00
  66   -0.135409E-04    0.124652E+03  0.108630E-06 0.100000E-04    0.992124E+00
  67    0.103441E-05    0.119426E+03 -0.866155E-08 0.100000E-04    0.997287E+00
  68    0.369214E-05    0.117952E+03 -0.313021E-07 0.100000E-04    0.991194E+00
  69    0.193299E-06    0.116433E+03 -0.166018E-08 0.100000E-04    0.889582E+00
  70    0.657287E-05    0.112563E+03 -0.583929E-07 0.100000E-04    0.990581E+00
  71    0.124659E-06    0.110104E+03 -0.113219E-08 0.100000E-04    0.844878E+00
  72   -0.168717E-04    0.105526E+03  0.159882E-06 0.100000E-04    0.989870E+00
  73    0.638274E-05    0.102828E+03 -0.620723E-07 0.100000E-04    0.987418E+00
  74   -0.196240E-04    0.100463E+03  0.195336E-06 0.100000E-04    0.992713E+00
  75   -0.129426E-04    0.972084E+02  0.133143E-06 0.100000E-04    0.990063E+00
  76   -0.161445E-04    0.950525E+02  0.169848E-06 0.100000E-04    0.992392E+00
  77   -0.550719E-06    0.912437E+02  0.603569E-08 0.100000E-04    0.999778E+00
  78   -0.299636E-04    0.906654E+02  0.330486E-06 0.100000E-04    0.992870E+00
  79   -0.293494E-04    0.882881E+02  0.332428E-06 0.100000E-04    0.995747E+00
  80   -0.744522E-05    0.844813E+02  0.881286E-07 0.100000E-04    0.990833E+00
  81    0.892258E-05    0.808845E+02 -0.110313E-06 0.100000E-04    0.991446E+00
  82   -0.145856E-04    0.791280E+02  0.184330E-06 0.100000E-04    0.995722E+00
  83    0.806025E-05    0.786834E+02 -0.102439E-06 0.100000E-04    0.997937E+00
  84    0.111506E-04    0.729931E+02 -0.152762E-06 0.100000E-04    0.988306E+00
  85   -0.211815E-04    0.713677E+02  0.296794E-06 0.100000E-04    0.991959E+00
  86   -0.270287E-04    0.693007E+02  0.390021E-06 0.100000E-04    0.993881E+00
  87   -0.508733E-05    0.677116E+02  0.751323E-07 0.100000E-04    0.991624E+00
  88   -0.162698E-06    0.634953E+02  0.256236E-08 0.100000E-04    0.411235E+00
  89   -0.239371E-04    0.621767E+02  0.384985E-06 0.100000E-04    0.992324E+00
  90   -0.113035E-04    0.596588E+02  0.189470E-06 0.100000E-04    0.988760E+00
  91    0.796435E-06    0.586083E+02 -0.135891E-07 0.100000E-04    0.978881E+00
  92   -0.264305E-04    0.558249E+02  0.473454E-06 0.100000E-04    0.991919E+00
  93    0.324655E-04    0.536186E+02 -0.605489E-06 0.100000E-04    0.994499E+00
  94   -0.155769E-04    0.522909E+02  0.297889E-06 0.100000E-04    0.988189E+00
  95   -0.307039E-04    0.503032E+02  0.610376E-06 0.100000E-04    0.995485E+00
  96   -0.854258E-05    0.480100E+02  0.177933E-06 0.100000E-04    0.997972E+00
  97    0.191401E-04    0.436012E+02 -0.438981E-06 0.100000E-04    0.991441E+00
  98   -0.137618E-04    0.398456E+02  0.345378E-06 0.100000E-04    0.993426E+00
  99    0.276733E-04    0.374095E+02 -0.739740E-06 0.100000E-04    0.982912E+00
 100   -0.303621E-04    0.361979E+02  0.838780E-06 0.100000E-04    0.995554E+00
 101   -0.896312E-04    0.348367E+02  0.257290E-05 0.100000E-04    0.994160E+00
 102   -0.372797E-04    0.294480E+02  0.126595E-05 0.100000E-04    0.989486E+00
 103    0.293129E-04    0.289713E+02 -0.101179E-05 0.100000E-04    0.994252E+00
 104   -0.382481E-04    0.287193E+02  0.133179E-05 0.100000E-04    0.993683E+00
 105    0.189752E-04    0.233831E+02 -0.811494E-06 0.100000E-04    0.990438E+00
 106   -0.303029E-05    0.219078E+02  0.138320E-06 0.100000E-04    0.941278E+00
 107    0.903462E-04    0.195869E+02 -0.461259E-05 0.100000E-04    0.992310E+00
 108    0.839533E-04    0.166601E+02 -0.503920E-05 0.100000E-04    0.998578E+00
 109   -0.643186E-04    0.138503E+02  0.464383E-05 0.100000E-04    0.996098E+00
 110   -0.579344E-04    0.125639E+02  0.461119E-05 0.100000E-04    0.979607E+00
 111    0.106660E-03    0.114304E+02 -0.933129E-05 0.100000E-04    0.995866E+00
 112    0.212688E-04    0.943512E+01 -0.225421E-05 0.100000E-04    0.980815E+00
 113    0.399261E-02    0.759707E+01 -0.119850E-04 0.119850E-04    0.608614E-01
 114    0.249342E+00    0.481352E+01  0.400000E-03 0.400000E-03    0.145626E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5166206210E-01

 Beginning of optimization cycle  111.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3964555058
 potential> RMS force:                                               0.0235361618   |gradient|=.2512974417    
 Eigenvalues of the Hessian matrix:
   720.15316    670.80376    623.62098    603.53548    589.67370    564.30155 
   562.01111    478.29785    470.05589    463.25547    441.48618    431.59733 
   420.44460    405.80587    398.33558    388.43116    366.96704    363.84410 
   352.57927    343.11690    324.18523    322.72082    318.57817    316.86043 
   305.33156    287.35245    279.89991    271.45822    265.76707    262.20507 
   257.71911    253.40874    243.89593    239.34088    234.35852    228.52768 
   224.49152    212.73049    211.20244    209.73031    202.93486    198.51971 
   195.38296    191.62823    186.32759    178.01188    170.72277    168.10658 
   165.73490    160.56647    153.66697    151.04160    148.66192    142.61147 
   136.91397    134.75714    131.00135    127.68137    125.76146    124.65893 
   119.42647    117.95135    116.43637    112.55558    110.09571    105.52195 
   102.82786    100.45826     97.20705     95.05341     91.23744     90.67156 
    88.29975     84.48265     80.88436     79.13139     78.68148     72.99025 
    71.37074     69.29179     67.71487     63.49284     62.17041     59.65867 
    58.61135     55.82509     53.61638     52.28962     50.30328     48.00930 
    43.59663     39.84848     37.40199     36.19882     34.84381     29.43885 
    28.96994     28.71967     23.37797     21.90861     19.58741     16.66272 
    13.84891     12.56025     11.42043      9.43700      7.59767      4.81376 
overlap for current and previous eigenvector    109 is        -0.9999966575
overlap for current and previous eigenvector    110 is        -0.9999927001
overlap for current and previous eigenvector    111 is         0.9999896533
overlap for current and previous eigenvector    112 is         0.9999995283
overlap for current and previous eigenvector    113 is         0.9999992398
overlap for current and previous eigenvector    114 is         0.9999993338
J1,K1,R1,R2,RAT=   7   7    0.2258349861         1.773999819        0.7739998190    
FOB,PFOB,DIAG,PSTEP=    0.2161850105E-07    0.2792559934E-07     720.1531552       -0.3878050927E-10
J1,K1,R1,R2,RAT=   8   8   -0.2696541076E-01     2.026914016        0.9730345892    
FOB,PFOB,DIAG,PSTEP=   -0.8792247159E-06   -0.8561380095E-06     670.8037579        0.1276319640E-08
J1,K1,R1,R2,RAT=   9   9   -0.1350146539E-01     2.013432371        0.9864985346    
FOB,PFOB,DIAG,PSTEP=    0.6721109897E-06    0.6631570879E-06     623.6209849       -0.1063434386E-08
J1,K1,R1,R2,RAT=  10  10    0.9520244316E-03     1.998997821        0.9989978208    
FOB,PFOB,DIAG,PSTEP=    0.1377272402E-05    0.1378584881E-05     603.5354751       -0.2284239303E-08
J1,K1,R1,R2,RAT=  11  11    0.5039547853E-04     1.999950515        0.9999496045    
FOB,PFOB,DIAG,PSTEP=   -0.9621875677E-06   -0.9622360600E-06     589.6736993        0.1631810310E-08
J1,K1,R1,R2,RAT= 109 109     2.004379071       -0.4172093451E-02    0.9958279065    
FOB,PFOB,DIAG,PSTEP=    0.6458690591E-04   -0.6431859051E-04     13.84891250        0.4643825639E-05
J1,K1,R1,R2,RAT= 110 110     2.013210135       -0.1263353031E-01    0.9873664697    
FOB,PFOB,DIAG,PSTEP=    0.5866610842E-04   -0.5793440333E-04     12.56025129        0.4611190029E-05
J1,K1,R1,R2,RAT= 111 111   -0.7905256810E-02     2.009651034        0.9920947432    
FOB,PFOB,DIAG,PSTEP=    0.1075028352E-03    0.1066603927E-03     11.42042766       -0.9331294278E-05
J1,K1,R1,R2,RAT= 112 112    0.6076322070E-02     1.993525778        0.9935257782    
FOB,PFOB,DIAG,PSTEP=    0.2113951848E-04    0.2126878015E-04     9.436996772       -0.2254214230E-05
J1,K1,R1,R2,RAT= 113 113   -0.7819856549         88.47567916        0.2180143451    
FOB,PFOB,DIAG,PSTEP=    0.4063811744E-02    0.3992605703E-02     7.597669400       -0.1198498967E-04
J1,K1,R1,R2,RAT= 114 114    0.9985309376        -259.9873613        0.1469062438E-02
FOB,PFOB,DIAG,PSTEP=    0.2512644610        0.2493417874         4.813755618        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000     -0.00000      0.00001      0.00001     -0.00001 
    -0.00001      0.00002      0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000     -0.00000     -0.00001      0.00000     -0.00002 
     0.00001     -0.00002      0.00001     -0.00002      0.00000      0.00003 
    -0.00003      0.00001     -0.00001      0.00001      0.00001      0.00001 
     0.00002     -0.00003     -0.00001     -0.00000     -0.00002     -0.00001 
    -0.00000      0.00003     -0.00003      0.00002     -0.00003      0.00001 
     0.00002     -0.00001      0.00003      0.00003      0.00009     -0.00004 
     0.00003     -0.00004      0.00002     -0.00000      0.00009      0.00008 
     0.00006      0.00006      0.00011      0.00002      0.00406      0.25126 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4377201513
 Log product of positive Hessian eigenvalues =          520.4189192581
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8137556182
 Unscaled step for mode    7=       -0.0000000000
 Unscaled step for mode    8=        0.0000000013
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000050
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000029
 Unscaled step for mode   17=       -0.0000000027
 Unscaled step for mode   18=       -0.0000000075
 Unscaled step for mode   19=       -0.0000000159
 Unscaled step for mode   20=       -0.0000000195
 Unscaled step for mode   21=       -0.0000000116
 Unscaled step for mode   22=        0.0000000004
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000230
 Unscaled step for mode   26=        0.0000000360
 Unscaled step for mode   27=        0.0000000203
 Unscaled step for mode   28=        0.0000000163
 Unscaled step for mode   29=        0.0000000236
 Unscaled step for mode   30=        0.0000000190
 Unscaled step for mode   31=        0.0000000067
 Unscaled step for mode   32=        0.0000000011
 Unscaled step for mode   33=       -0.0000000151
 Unscaled step for mode   34=       -0.0000000071
 Unscaled step for mode   35=       -0.0000000465
 Unscaled step for mode   36=       -0.0000000085
 Unscaled step for mode   37=        0.0000000210
 Unscaled step for mode   38=        0.0000000113
 Unscaled step for mode   39=        0.0000000372
 Unscaled step for mode   40=       -0.0000000182
 Unscaled step for mode   41=       -0.0000000231
 Unscaled step for mode   42=        0.0000000106
 Unscaled step for mode   43=       -0.0000000089
 Unscaled step for mode   44=        0.0000000120
 Unscaled step for mode   45=       -0.0000000169
 Unscaled step for mode   46=       -0.0000000256
 Unscaled step for mode   47=        0.0000000647
 Unscaled step for mode   48=        0.0000000043
 Unscaled step for mode   49=       -0.0000000363
 Unscaled step for mode   50=       -0.0000000276
 Unscaled step for mode   51=        0.0000000274
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000315
 Unscaled step for mode   54=       -0.0000000158
 Unscaled step for mode   55=        0.0000000625
 Unscaled step for mode   56=       -0.0000000233
 Unscaled step for mode   57=        0.0000000111
 Unscaled step for mode   58=       -0.0000000540
 Unscaled step for mode   59=       -0.0000000353
 Unscaled step for mode   60=        0.0000000605
 Unscaled step for mode   61=        0.0000000478
 Unscaled step for mode   62=       -0.0000001440
 Unscaled step for mode   63=       -0.0000000954
 Unscaled step for mode   64=       -0.0000000219
 Unscaled step for mode   65=        0.0000000104
 Unscaled step for mode   66=        0.0000001093
 Unscaled step for mode   67=       -0.0000000088
 Unscaled step for mode   68=        0.0000000315
 Unscaled step for mode   69=        0.0000000015
 Unscaled step for mode   70=        0.0000000592
 Unscaled step for mode   71=       -0.0000000012
 Unscaled step for mode   72=        0.0000001610
 Unscaled step for mode   73=       -0.0000000629
 Unscaled step for mode   74=        0.0000001964
 Unscaled step for mode   75=       -0.0000001348
 Unscaled step for mode   76=        0.0000001712
 Unscaled step for mode   77=       -0.0000000065
 Unscaled step for mode   78=       -0.0000003336
 Unscaled step for mode   79=        0.0000003335
 Unscaled step for mode   80=       -0.0000000891
 Unscaled step for mode   81=        0.0000001111
 Unscaled step for mode   82=       -0.0000001847
 Unscaled step for mode   83=       -0.0000001029
 Unscaled step for mode   84=       -0.0000001540
 Unscaled step for mode   85=       -0.0000002984
 Unscaled step for mode   86=        0.0000003924
 Unscaled step for mode   87=        0.0000000739
 Unscaled step for mode   88=        0.0000000027
 Unscaled step for mode   89=        0.0000003875
 Unscaled step for mode   90=        0.0000001904
 Unscaled step for mode   91=        0.0000000133
 Unscaled step for mode   92=       -0.0000004782
 Unscaled step for mode   93=        0.0000006075
 Unscaled step for mode   94=       -0.0000003001
 Unscaled step for mode   95=        0.0000006121
 Unscaled step for mode   96=       -0.0000001791
 Unscaled step for mode   97=       -0.0000004416
 Unscaled step for mode   98=        0.0000003476
 Unscaled step for mode   99=       -0.0000007482
 Unscaled step for mode  100=       -0.0000008406
 Unscaled step for mode  101=       -0.0000025869
 Unscaled step for mode  102=        0.0000012723
 Unscaled step for mode  103=       -0.0000010162
 Unscaled step for mode  104=        0.0000013345
 Unscaled step for mode  105=       -0.0000008215
 Unscaled step for mode  106=        0.0000001287
 Unscaled step for mode  107=       -0.0000046366
 Unscaled step for mode  108=       -0.0000050392
 Unscaled step for mode  109=       -0.0000046637
 Unscaled step for mode  110=       -0.0000046708
 Unscaled step for mode  111=       -0.0000094132
 Unscaled step for mode  112=       -0.0000022401
 Unscaled step for mode  113=       -0.0005348759
 Unscaled step for mode  114=        0.0520557346
 Largest modulus ratio of non-zero e/values=           149.6031815    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.100462E-14    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.705274E-15    0.100765E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.222411E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.160549E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.186320E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.396479E-15    0.973534E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.216185E-07    0.720153E+03 -0.300193E-10 0.100000E-04    0.774000E+00
   8   -0.879225E-06    0.670804E+03  0.131070E-08 0.100000E-04    0.973035E+00
   9    0.672111E-06    0.623621E+03 -0.107776E-08 0.100000E-04    0.986499E+00
  10    0.137727E-05    0.603535E+03 -0.228201E-08 0.100000E-04    0.998998E+00
  11   -0.962188E-06    0.589674E+03  0.163173E-08 0.100000E-04    0.999950E+00
  12    0.281922E-05    0.564302E+03 -0.499594E-08 0.100000E-04    0.994435E+00
  13    0.180326E-05    0.562011E+03 -0.320859E-08 0.100000E-04    0.988708E+00
  14   -0.552690E-05    0.478298E+03  0.115553E-07 0.100000E-04    0.998649E+00
  15    0.167573E-05    0.470056E+03 -0.356496E-08 0.100000E-04    0.993629E+00
  16    0.134372E-05    0.463255E+03 -0.290060E-08 0.100000E-04    0.992183E+00
  17    0.120603E-05    0.441486E+03 -0.273175E-08 0.100000E-04    0.994918E+00
  18    0.322432E-05    0.431597E+03 -0.747068E-08 0.100000E-04    0.994150E+00
  19    0.668593E-05    0.420445E+03 -0.159020E-07 0.100000E-04    0.993756E+00
  20    0.791006E-05    0.405806E+03 -0.194922E-07 0.100000E-04    0.997772E+00
  21    0.462870E-05    0.398336E+03 -0.116201E-07 0.100000E-04    0.994467E+00
  22   -0.136357E-06    0.388431E+03  0.351045E-09 0.100000E-04    0.891097E+00
  23   -0.191590E-05    0.366967E+03  0.522090E-08 0.100000E-04    0.997113E+00
  24    0.189580E-05    0.363844E+03 -0.521048E-08 0.100000E-04    0.999558E+00
  25   -0.811836E-05    0.352579E+03  0.230256E-07 0.100000E-04    0.993008E+00
  26   -0.123477E-04    0.343117E+03  0.359867E-07 0.100000E-04    0.992183E+00
  27   -0.658909E-05    0.324185E+03  0.203251E-07 0.100000E-04    0.993260E+00
  28   -0.527496E-05    0.322721E+03  0.163453E-07 0.100000E-04    0.997865E+00
  29   -0.753198E-05    0.318578E+03  0.236425E-07 0.100000E-04    0.991013E+00
  30   -0.602587E-05    0.316860E+03  0.190174E-07 0.100000E-04    0.984418E+00
  31   -0.205939E-05    0.305332E+03  0.674478E-08 0.100000E-04    0.981691E+00
  32   -0.326695E-06    0.287352E+03  0.113691E-08 0.100000E-04    0.958155E+00
  33    0.421879E-05    0.279900E+03 -0.150725E-07 0.100000E-04    0.993711E+00
  34    0.193828E-05    0.271458E+03 -0.714025E-08 0.100000E-04    0.995055E+00
  35    0.123552E-04    0.265767E+03 -0.464887E-07 0.100000E-04    0.992279E+00
  36    0.223649E-05    0.262205E+03 -0.852956E-08 0.100000E-04    0.986930E+00
  37   -0.542011E-05    0.257719E+03  0.210311E-07 0.100000E-04    0.991111E+00
  38   -0.286615E-05    0.253409E+03  0.113104E-07 0.100000E-04    0.992031E+00
  39   -0.906620E-05    0.243896E+03  0.371724E-07 0.100000E-04    0.993360E+00
  40    0.435914E-05    0.239341E+03 -0.182131E-07 0.100000E-04    0.983523E+00
  41    0.541700E-05    0.234359E+03 -0.231142E-07 0.100000E-04    0.986280E+00
  42   -0.243273E-05    0.228528E+03  0.106452E-07 0.100000E-04    0.987759E+00
  43    0.200661E-05    0.224492E+03 -0.893849E-08 0.100000E-04    0.984821E+00
  44   -0.254801E-05    0.212730E+03  0.119776E-07 0.100000E-04    0.967117E+00
  45    0.356743E-05    0.211202E+03 -0.168911E-07 0.100000E-04    0.997395E+00
  46    0.536399E-05    0.209730E+03 -0.255757E-07 0.100000E-04    0.984878E+00
  47   -0.131226E-04    0.202935E+03  0.646639E-07 0.100000E-04    0.990827E+00
  48   -0.847208E-06    0.198520E+03  0.426763E-08 0.100000E-04    0.984959E+00
  49    0.709310E-05    0.195383E+03 -0.363036E-07 0.100000E-04    0.989259E+00
  50    0.529297E-05    0.191628E+03 -0.276210E-07 0.100000E-04    0.996133E+00
  51   -0.511138E-05    0.186328E+03  0.274322E-07 0.100000E-04    0.990245E+00
  52    0.403534E-06    0.178012E+03 -0.226689E-08 0.100000E-04    0.990383E+00
  53   -0.537699E-05    0.170723E+03  0.314954E-07 0.100000E-04    0.992515E+00
  54    0.265832E-05    0.168107E+03 -0.158133E-07 0.100000E-04    0.983039E+00
  55   -0.103578E-04    0.165735E+03  0.624962E-07 0.100000E-04    0.992745E+00
  56    0.374412E-05    0.160566E+03 -0.233182E-07 0.100000E-04    0.996431E+00
  57   -0.171161E-05    0.153667E+03  0.111385E-07 0.100000E-04    0.988102E+00
  58    0.816228E-05    0.151042E+03 -0.540400E-07 0.100000E-04    0.993527E+00
  59    0.524885E-05    0.148662E+03 -0.353073E-07 0.100000E-04    0.990388E+00
  60   -0.862391E-05    0.142611E+03  0.604714E-07 0.100000E-04    0.989808E+00
  61   -0.654555E-05    0.136914E+03  0.478077E-07 0.100000E-04    0.992996E+00
  62    0.194073E-04    0.134757E+03 -0.144017E-06 0.100000E-04    0.994349E+00
  63    0.124934E-04    0.131001E+03 -0.953687E-07 0.100000E-04    0.994900E+00
  64    0.279605E-05    0.127681E+03 -0.218987E-07 0.100000E-04    0.984707E+00
  65   -0.130683E-05    0.125761E+03  0.103913E-07 0.100000E-04    0.981021E+00
  66   -0.136280E-04    0.124659E+03  0.109322E-06 0.100000E-04    0.993572E+00
  67    0.105118E-05    0.119426E+03 -0.880192E-08 0.100000E-04    0.983791E+00
  68   -0.372096E-05    0.117951E+03  0.315465E-07 0.100000E-04    0.992197E+00
  69   -0.179139E-06    0.116436E+03  0.153852E-08 0.100000E-04    0.926686E+00
  70   -0.666298E-05    0.112556E+03  0.591972E-07 0.100000E-04    0.986290E+00
  71    0.132752E-06    0.110096E+03 -0.120579E-08 0.100000E-04    0.935067E+00
  72   -0.169912E-04    0.105522E+03  0.161020E-06 0.100000E-04    0.992921E+00
  73    0.647148E-05    0.102828E+03 -0.629351E-07 0.100000E-04    0.986097E+00
  74   -0.197325E-04    0.100458E+03  0.196425E-06 0.100000E-04    0.994467E+00
  75    0.131055E-04    0.972070E+02 -0.134820E-06 0.100000E-04    0.987417E+00
  76   -0.162738E-04    0.950534E+02  0.171207E-06 0.100000E-04    0.991990E+00
  77    0.591957E-06    0.912374E+02 -0.648809E-08 0.100000E-04    0.925115E+00
  78    0.302479E-04    0.906716E+02 -0.333599E-06 0.100000E-04    0.990513E+00
  79   -0.294501E-04    0.882997E+02  0.333525E-06 0.100000E-04    0.996569E+00
  80    0.752418E-05    0.844826E+02 -0.890619E-07 0.100000E-04    0.989395E+00
  81   -0.898545E-05    0.808844E+02  0.111090E-06 0.100000E-04    0.992954E+00
  82    0.146194E-04    0.791314E+02 -0.184749E-06 0.100000E-04    0.997683E+00
  83    0.809329E-05    0.786815E+02 -0.102861E-06 0.100000E-04    0.995901E+00
  84    0.112382E-04    0.729902E+02 -0.153968E-06 0.100000E-04    0.992145E+00
  85    0.212984E-04    0.713707E+02 -0.298419E-06 0.100000E-04    0.994480E+00
  86   -0.271886E-04    0.692918E+02  0.392378E-06 0.100000E-04    0.994085E+00
  87   -0.500081E-05    0.677149E+02  0.738510E-07 0.100000E-04    0.982899E+00
  88   -0.173808E-06    0.634928E+02  0.273745E-08 0.100000E-04    0.931706E+00
  89   -0.240908E-04    0.621704E+02  0.387496E-06 0.100000E-04    0.993578E+00
  90   -0.113575E-04    0.596587E+02  0.190375E-06 0.100000E-04    0.995226E+00
  91   -0.777463E-06    0.586113E+02  0.132647E-07 0.100000E-04    0.976074E+00
  92    0.266936E-04    0.558251E+02 -0.478165E-06 0.100000E-04    0.990046E+00
  93   -0.325729E-04    0.536164E+02  0.607518E-06 0.100000E-04    0.996691E+00
  94    0.156911E-04    0.522896E+02 -0.300080E-06 0.100000E-04    0.992668E+00
  95   -0.307931E-04    0.503033E+02  0.612150E-06 0.100000E-04    0.997094E+00
  96    0.859755E-05    0.480093E+02 -0.179081E-06 0.100000E-04    0.993565E+00
  97    0.192511E-04    0.435966E+02 -0.441574E-06 0.100000E-04    0.994198E+00
  98   -0.138529E-04    0.398485E+02  0.347638E-06 0.100000E-04    0.993383E+00
  99    0.279828E-04    0.374020E+02 -0.748163E-06 0.100000E-04    0.988814E+00
 100    0.304305E-04    0.361988E+02 -0.840649E-06 0.100000E-04    0.997746E+00
 101    0.901384E-04    0.348438E+02 -0.258693E-05 0.100000E-04    0.994343E+00
 102   -0.374544E-04    0.294389E+02  0.127228E-05 0.100000E-04    0.995312E+00
 103    0.294394E-04    0.289699E+02 -0.101621E-05 0.100000E-04    0.995685E+00
 104   -0.383273E-04    0.287197E+02  0.133453E-05 0.100000E-04    0.997928E+00
 105    0.192056E-04    0.233780E+02 -0.821527E-06 0.100000E-04    0.987855E+00
 106   -0.282001E-05    0.219086E+02  0.128717E-06 0.100000E-04    0.930534E+00
 107    0.908181E-04    0.195874E+02 -0.463655E-05 0.100000E-04    0.994777E+00
 108    0.839667E-04    0.166627E+02 -0.503919E-05 0.100000E-04    0.999839E+00
 109    0.645869E-04    0.138489E+02 -0.466368E-05 0.100000E-04    0.995828E+00
 110    0.586661E-04    0.125603E+02 -0.467078E-05 0.100000E-04    0.987366E+00
 111    0.107503E-03    0.114204E+02 -0.941321E-05 0.100000E-04    0.992095E+00
 112    0.211395E-04    0.943700E+01 -0.224007E-05 0.100000E-04    0.993526E+00
 113    0.406381E-02    0.759767E+01 -0.107973E-04 0.107973E-04    0.218014E+00
 114    0.251264E+00    0.481376E+01  0.400000E-03 0.400000E-03    0.146906E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5205573455E-01

 Beginning of optimization cycle  112.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3963546599
 potential> RMS force:                                               0.0237163406   |gradient|=.2532212241    
 Eigenvalues of the Hessian matrix:
   720.21271    670.82103    623.64249    603.55035    589.67346    564.32250 
   562.04964    478.31420    470.03341    463.24412    441.48353    431.58688 
   420.45235    405.81668    398.33187    388.43553    366.96855    363.83372 
   352.56966    343.07699    324.19081    322.69972    318.56808    316.87587 
   305.32928    287.35468    279.89599    271.45155    265.76683    262.21312 
   257.72207    253.41017    243.88240    239.32917    234.36941    228.53031 
   224.47287    212.72772    211.20665    209.72004    202.93727    198.51496 
   195.38575    191.62761    186.32152    177.99712    170.72499    168.10476 
   165.73362    160.56295    153.66232    151.04080    148.66864    142.61561 
   136.91448    134.76185    131.00044    127.68074    125.76496    124.66603 
   119.42687    117.95091    116.44018    112.54833    110.08736    105.51810 
   102.82820    100.45390     97.20568     95.05431     91.23117     90.67777 
    88.31138     84.48396     80.88426     79.13481     78.67958     72.98741 
    71.37388     69.28286     67.71817     63.49041     62.16408     59.65855 
    58.61446     55.82533     53.61412     52.28835     50.30332     48.00857 
    43.59208     39.85134     37.39455     36.19979     34.85098     29.42975 
    28.96861     28.72005     23.37284     21.90942     19.58802     16.66537 
    13.84750     12.55666     11.41042      9.43887      7.59827      4.81396 
overlap for current and previous eigenvector    109 is         0.9999967114
overlap for current and previous eigenvector    110 is         0.9999928299
overlap for current and previous eigenvector    111 is         0.9999898033
overlap for current and previous eigenvector    112 is         0.9999995232
overlap for current and previous eigenvector    113 is         0.9999992342
overlap for current and previous eigenvector    114 is         0.9999993365
J1,K1,R1,R2,RAT=   7   7    0.4634371478         1.536397468        0.5363974678    
FOB,PFOB,DIAG,PSTEP=    0.1159885604E-07    0.2161850105E-07     720.2127112       -0.3001931033E-10
J1,K1,R1,R2,RAT=   8   8   -0.2671552284E-02     2.002620064        0.9973284477    
FOB,PFOB,DIAG,PSTEP=   -0.8815736711E-06   -0.8792247159E-06     670.8210277        0.1310703325E-08
J1,K1,R1,R2,RAT=   9   9    0.6960056965E-02     1.992970963        0.9929709626    
FOB,PFOB,DIAG,PSTEP=    0.6674328975E-06    0.6721109897E-06     623.6424945       -0.1077755569E-08
J1,K1,R1,R2,RAT=  10  10   -0.7056581278E-02     2.007007284        0.9929434187    
FOB,PFOB,DIAG,PSTEP=    0.1386991476E-05    0.1377272402E-05     603.5503518       -0.2282007369E-08
J1,K1,R1,R2,RAT=  11  11   -0.3072124181E-02     2.003072947        0.9969278758    
FOB,PFOB,DIAG,PSTEP=   -0.9651435262E-06   -0.9621875677E-06     589.6734566        0.1631728817E-08
J1,K1,R1,R2,RAT= 109 109   -0.3803745011E-02     2.004007394        0.9961962550    
FOB,PFOB,DIAG,PSTEP=    0.6483255302E-04    0.6458690591E-04     13.84750248       -0.4663680698E-05
J1,K1,R1,R2,RAT= 110 110   -0.1984647799E-01     2.020418472        0.9801535220    
FOB,PFOB,DIAG,PSTEP=    0.5983009116E-04    0.5866610842E-04     12.55666012       -0.4670775055E-05
J1,K1,R1,R2,RAT= 111 111   -0.3955644862E-02     2.005710363        0.9960443551    
FOB,PFOB,DIAG,PSTEP=    0.1079277055E-03    0.1075028352E-03     11.41041663       -0.9413205735E-05
J1,K1,R1,R2,RAT= 112 112    0.1958682168E-01     1.980017081        0.9800170810    
FOB,PFOB,DIAG,PSTEP=    0.2072538048E-04    0.2113951848E-04     9.438866127       -0.2240068423E-05
J1,K1,R1,R2,RAT= 113 113   -0.9875895431         100.0557084        0.1241045688E-01
FOB,PFOB,DIAG,PSTEP=    0.4144834338E-02    0.4063811744E-02     7.598274428       -0.1079728799E-04
J1,K1,R1,R2,RAT= 114 114    0.9985107152        -261.9730677        0.1489284826E-02
FOB,PFOB,DIAG,PSTEP=    0.2531871791        0.2512644610         4.813964700        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000     -0.00000      0.00001      0.00001     -0.00001 
    -0.00001      0.00002      0.00001      0.00000      0.00000     -0.00001 
     0.00000     -0.00000     -0.00000     -0.00001     -0.00000      0.00002 
    -0.00001     -0.00002      0.00001     -0.00002      0.00000      0.00003 
    -0.00003      0.00001      0.00001      0.00001     -0.00001      0.00001 
     0.00002     -0.00003     -0.00000      0.00000      0.00002      0.00001 
    -0.00000      0.00003     -0.00003      0.00002     -0.00003      0.00001 
     0.00002     -0.00001      0.00003      0.00003      0.00009     -0.00004 
     0.00003     -0.00004      0.00002     -0.00000      0.00009      0.00008 
     0.00006      0.00006      0.00011      0.00002      0.00414      0.25319 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4377556282
 Log product of positive Hessian eigenvalues =          520.4172737796
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8139646996
 Unscaled step for mode    7=       -0.0000000000
 Unscaled step for mode    8=        0.0000000013
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000050
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000029
 Unscaled step for mode   17=       -0.0000000028
 Unscaled step for mode   18=       -0.0000000075
 Unscaled step for mode   19=       -0.0000000160
 Unscaled step for mode   20=       -0.0000000196
 Unscaled step for mode   21=       -0.0000000117
 Unscaled step for mode   22=        0.0000000003
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000232
 Unscaled step for mode   26=        0.0000000363
 Unscaled step for mode   27=        0.0000000204
 Unscaled step for mode   28=        0.0000000163
 Unscaled step for mode   29=        0.0000000238
 Unscaled step for mode   30=        0.0000000193
 Unscaled step for mode   31=        0.0000000068
 Unscaled step for mode   32=        0.0000000012
 Unscaled step for mode   33=       -0.0000000152
 Unscaled step for mode   34=       -0.0000000072
 Unscaled step for mode   35=       -0.0000000468
 Unscaled step for mode   36=       -0.0000000087
 Unscaled step for mode   37=        0.0000000212
 Unscaled step for mode   38=        0.0000000113
 Unscaled step for mode   39=        0.0000000375
 Unscaled step for mode   40=       -0.0000000185
 Unscaled step for mode   41=       -0.0000000234
 Unscaled step for mode   42=        0.0000000108
 Unscaled step for mode   43=       -0.0000000090
 Unscaled step for mode   44=        0.0000000121
 Unscaled step for mode   45=       -0.0000000169
 Unscaled step for mode   46=       -0.0000000258
 Unscaled step for mode   47=        0.0000000651
 Unscaled step for mode   48=        0.0000000042
 Unscaled step for mode   49=       -0.0000000366
 Unscaled step for mode   50=       -0.0000000279
 Unscaled step for mode   51=        0.0000000276
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=        0.0000000316
 Unscaled step for mode   54=       -0.0000000160
 Unscaled step for mode   55=        0.0000000629
 Unscaled step for mode   56=       -0.0000000235
 Unscaled step for mode   57=        0.0000000112
 Unscaled step for mode   58=       -0.0000000545
 Unscaled step for mode   59=       -0.0000000354
 Unscaled step for mode   60=        0.0000000608
 Unscaled step for mode   61=        0.0000000483
 Unscaled step for mode   62=       -0.0000001449
 Unscaled step for mode   63=       -0.0000000961
 Unscaled step for mode   64=       -0.0000000222
 Unscaled step for mode   65=       -0.0000000104
 Unscaled step for mode   66=        0.0000001102
 Unscaled step for mode   67=       -0.0000000088
 Unscaled step for mode   68=        0.0000000318
 Unscaled step for mode   69=        0.0000000013
 Unscaled step for mode   70=        0.0000000598
 Unscaled step for mode   71=        0.0000000014
 Unscaled step for mode   72=       -0.0000001626
 Unscaled step for mode   73=        0.0000000637
 Unscaled step for mode   74=        0.0000001978
 Unscaled step for mode   75=       -0.0000001362
 Unscaled step for mode   76=        0.0000001725
 Unscaled step for mode   77=       -0.0000000065
 Unscaled step for mode   78=       -0.0000003359
 Unscaled step for mode   79=        0.0000003348
 Unscaled step for mode   80=       -0.0000000899
 Unscaled step for mode   81=       -0.0000001120
 Unscaled step for mode   82=       -0.0000001855
 Unscaled step for mode   83=        0.0000001027
 Unscaled step for mode   84=       -0.0000001558
 Unscaled step for mode   85=       -0.0000003008
 Unscaled step for mode   86=        0.0000003948
 Unscaled step for mode   87=        0.0000000732
 Unscaled step for mode   88=       -0.0000000037
 Unscaled step for mode   89=       -0.0000003905
 Unscaled step for mode   90=       -0.0000001925
 Unscaled step for mode   91=        0.0000000130
 Unscaled step for mode   92=       -0.0000004820
 Unscaled step for mode   93=        0.0000006108
 Unscaled step for mode   94=       -0.0000003036
 Unscaled step for mode   95=        0.0000006148
 Unscaled step for mode   96=       -0.0000001794
 Unscaled step for mode   97=       -0.0000004453
 Unscaled step for mode   98=        0.0000003499
 Unscaled step for mode   99=       -0.0000007610
 Unscaled step for mode  100=       -0.0000008441
 Unscaled step for mode  101=       -0.0000026011
 Unscaled step for mode  102=        0.0000012861
 Unscaled step for mode  103=       -0.0000010218
 Unscaled step for mode  104=        0.0000013427
 Unscaled step for mode  105=       -0.0000008295
 Unscaled step for mode  106=        0.0000001364
 Unscaled step for mode  107=       -0.0000046711
 Unscaled step for mode  108=       -0.0000050319
 Unscaled step for mode  109=       -0.0000046819
 Unscaled step for mode  110=       -0.0000047648
 Unscaled step for mode  111=       -0.0000094587
 Unscaled step for mode  112=       -0.0000021957
 Unscaled step for mode  113=       -0.0005454966
 Unscaled step for mode  114=        0.0524496306
 Largest modulus ratio of non-zero e/values=           149.6090554    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.365810E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.263461E-15    0.100765E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.141597E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.310841E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.303591E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.229580E-15    0.973535E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.115989E-07    0.720213E+03 -0.161048E-10 0.100000E-04    0.536397E+00
   8   -0.881574E-06    0.670821E+03  0.131417E-08 0.100000E-04    0.997328E+00
   9    0.667433E-06    0.623642E+03 -0.107022E-08 0.100000E-04    0.992971E+00
  10    0.138699E-05    0.603550E+03 -0.229805E-08 0.100000E-04    0.992943E+00
  11   -0.965144E-06    0.589673E+03  0.163674E-08 0.100000E-04    0.996928E+00
  12    0.282290E-05    0.564322E+03 -0.500229E-08 0.100000E-04    0.998692E+00
  13    0.179985E-05    0.562050E+03 -0.320230E-08 0.100000E-04    0.997971E+00
  14   -0.553958E-05    0.478314E+03  0.115815E-07 0.100000E-04    0.997705E+00
  15    0.166926E-05    0.470033E+03 -0.355137E-08 0.100000E-04    0.996139E+00
  16    0.136547E-05    0.463244E+03 -0.294762E-08 0.100000E-04    0.983813E+00
  17    0.122981E-05    0.441484E+03 -0.278563E-08 0.100000E-04    0.980283E+00
  18    0.323416E-05    0.431587E+03 -0.749365E-08 0.100000E-04    0.996948E+00
  19    0.673257E-05    0.420452E+03 -0.160127E-07 0.100000E-04    0.993023E+00
  20    0.794020E-05    0.405817E+03 -0.195660E-07 0.100000E-04    0.996189E+00
  21    0.466053E-05    0.398332E+03 -0.117001E-07 0.100000E-04    0.993124E+00
  22   -0.114474E-06    0.388436E+03  0.294706E-09 0.100000E-04    0.839499E+00
  23   -0.191337E-05    0.366969E+03  0.521399E-08 0.100000E-04    0.998673E+00
  24    0.189521E-05    0.363834E+03 -0.520900E-08 0.100000E-04    0.999687E+00
  25   -0.817058E-05    0.352570E+03  0.231744E-07 0.100000E-04    0.993568E+00
  26   -0.124453E-04    0.343077E+03  0.362755E-07 0.100000E-04    0.992092E+00
  27   -0.662358E-05    0.324191E+03  0.204311E-07 0.100000E-04    0.994766E+00
  28   -0.525575E-05    0.322700E+03  0.162868E-07 0.100000E-04    0.996358E+00
  29   -0.757140E-05    0.318568E+03  0.237670E-07 0.100000E-04    0.994767E+00
  30   -0.612416E-05    0.316876E+03  0.193267E-07 0.100000E-04    0.983690E+00
  31   -0.207887E-05    0.305329E+03  0.680863E-08 0.100000E-04    0.990540E+00
  32   -0.346775E-06    0.287355E+03  0.120678E-08 0.100000E-04    0.938535E+00
  33    0.425356E-05    0.279896E+03 -0.151969E-07 0.100000E-04    0.991759E+00
  34    0.196658E-05    0.271452E+03 -0.724469E-08 0.100000E-04    0.985397E+00
  35    0.124299E-04    0.265767E+03 -0.467699E-07 0.100000E-04    0.993951E+00
  36    0.227470E-05    0.262213E+03 -0.867499E-08 0.100000E-04    0.982919E+00
  37   -0.546240E-05    0.257722E+03  0.211949E-07 0.100000E-04    0.992197E+00
  38   -0.287248E-05    0.253410E+03  0.113353E-07 0.100000E-04    0.997789E+00
  39   -0.913488E-05    0.243882E+03  0.374561E-07 0.100000E-04    0.992425E+00
  40    0.441762E-05    0.239329E+03 -0.184583E-07 0.100000E-04    0.986584E+00
  41    0.549331E-05    0.234369E+03 -0.234387E-07 0.100000E-04    0.985913E+00
  42   -0.245869E-05    0.228530E+03  0.107587E-07 0.100000E-04    0.989330E+00
  43    0.202111E-05    0.224473E+03 -0.900382E-08 0.100000E-04    0.992774E+00
  44   -0.258129E-05    0.212728E+03  0.121343E-07 0.100000E-04    0.986936E+00
  45    0.357707E-05    0.211207E+03 -0.169364E-07 0.100000E-04    0.997298E+00
  46    0.541421E-05    0.209720E+03 -0.258164E-07 0.100000E-04    0.990636E+00
  47   -0.132125E-04    0.202937E+03  0.651063E-07 0.100000E-04    0.993146E+00
  48   -0.834370E-06    0.198515E+03  0.420306E-08 0.100000E-04    0.984847E+00
  49    0.715197E-05    0.195386E+03 -0.366044E-07 0.100000E-04    0.991700E+00
  50    0.534324E-05    0.191628E+03 -0.278835E-07 0.100000E-04    0.990502E+00
  51   -0.513926E-05    0.186322E+03  0.275827E-07 0.100000E-04    0.994547E+00
  52    0.401072E-06    0.177997E+03 -0.225325E-08 0.100000E-04    0.993899E+00
  53   -0.539999E-05    0.170725E+03  0.316298E-07 0.100000E-04    0.995721E+00
  54    0.268787E-05    0.168105E+03 -0.159893E-07 0.100000E-04    0.988885E+00
  55   -0.104191E-04    0.165734E+03  0.628663E-07 0.100000E-04    0.994085E+00
  56    0.377741E-05    0.160563E+03 -0.235260E-07 0.100000E-04    0.991110E+00
  57   -0.171856E-05    0.153662E+03  0.111840E-07 0.100000E-04    0.995944E+00
  58    0.822768E-05    0.151041E+03 -0.544732E-07 0.100000E-04    0.991989E+00
  59    0.526456E-05    0.148669E+03 -0.354114E-07 0.100000E-04    0.997005E+00
  60   -0.866462E-05    0.142616E+03  0.607551E-07 0.100000E-04    0.995279E+00
  61   -0.661001E-05    0.136914E+03  0.482784E-07 0.100000E-04    0.990151E+00
  62    0.195251E-04    0.134762E+03 -0.144886E-06 0.100000E-04    0.993932E+00
  63    0.125923E-04    0.131000E+03 -0.961238E-07 0.100000E-04    0.992090E+00
  64    0.282974E-05    0.127681E+03 -0.221626E-07 0.100000E-04    0.987953E+00
  65    0.130228E-05    0.125765E+03 -0.103549E-07 0.100000E-04    0.996464E+00
  66   -0.137338E-04    0.124666E+03  0.110165E-06 0.100000E-04    0.992237E+00
  67    0.104853E-05    0.119427E+03 -0.877969E-08 0.100000E-04    0.997471E+00
  68   -0.375330E-05    0.117951E+03  0.318209E-07 0.100000E-04    0.991307E+00
  69   -0.154738E-06    0.116440E+03  0.132891E-08 0.100000E-04    0.863727E+00
  70   -0.672479E-05    0.112548E+03  0.597502E-07 0.100000E-04    0.990723E+00
  71   -0.149834E-06    0.110087E+03  0.136105E-08 0.100000E-04    0.871316E+00
  72    0.171611E-04    0.105518E+03 -0.162636E-06 0.100000E-04    0.989998E+00
  73   -0.655165E-05    0.102828E+03  0.637145E-07 0.100000E-04    0.987611E+00
  74   -0.198735E-04    0.100454E+03  0.197837E-06 0.100000E-04    0.992854E+00
  75    0.132350E-04    0.972057E+02 -0.136154E-06 0.100000E-04    0.990118E+00
  76   -0.163956E-04    0.950543E+02  0.172486E-06 0.100000E-04    0.992517E+00
  77    0.594509E-06    0.912312E+02 -0.651651E-08 0.100000E-04    0.995688E+00
  78    0.304612E-04    0.906778E+02 -0.335928E-06 0.100000E-04    0.992950E+00
  79   -0.295705E-04    0.883114E+02  0.334843E-06 0.100000E-04    0.995915E+00
  80    0.759212E-05    0.844840E+02 -0.898646E-07 0.100000E-04    0.990971E+00
  81    0.906094E-05    0.808843E+02 -0.112024E-06 0.100000E-04    0.991599E+00
  82    0.146780E-04    0.791348E+02 -0.185481E-06 0.100000E-04    0.995992E+00
  83   -0.807878E-05    0.786796E+02  0.102679E-06 0.100000E-04    0.998207E+00
  84    0.113679E-04    0.729874E+02 -0.155752E-06 0.100000E-04    0.988454E+00
  85    0.214674E-04    0.713739E+02 -0.300774E-06 0.100000E-04    0.992066E+00
  86   -0.273512E-04    0.692829E+02  0.394777E-06 0.100000E-04    0.994017E+00
  87   -0.495384E-05    0.677182E+02  0.731538E-07 0.100000E-04    0.990510E+00
  88    0.234025E-06    0.634904E+02 -0.368598E-08 0.100000E-04    0.653535E+00
  89    0.242727E-04    0.621641E+02 -0.390462E-06 0.100000E-04    0.992447E+00
  90    0.114830E-04    0.596586E+02 -0.192479E-06 0.100000E-04    0.988947E+00
  91   -0.759797E-06    0.586145E+02  0.129626E-07 0.100000E-04    0.977174E+00
  92    0.269058E-04    0.558253E+02 -0.481965E-06 0.100000E-04    0.992050E+00
  93   -0.327472E-04    0.536141E+02  0.610795E-06 0.100000E-04    0.994649E+00
  94    0.158733E-04    0.522883E+02 -0.303573E-06 0.100000E-04    0.988387E+00
  95   -0.309280E-04    0.503033E+02  0.614829E-06 0.100000E-04    0.995622E+00
  96    0.861435E-05    0.480086E+02 -0.179434E-06 0.100000E-04    0.998045E+00
  97    0.194136E-04    0.435921E+02 -0.445346E-06 0.100000E-04    0.991561E+00
  98   -0.139431E-04    0.398513E+02  0.349877E-06 0.100000E-04    0.993488E+00
  99    0.284565E-04    0.373945E+02 -0.760980E-06 0.100000E-04    0.983068E+00
 100    0.305561E-04    0.361998E+02 -0.844096E-06 0.100000E-04    0.995873E+00
 101    0.906520E-04    0.348510E+02 -0.260113E-05 0.100000E-04    0.994302E+00
 102   -0.378482E-04    0.294297E+02  0.128605E-05 0.100000E-04    0.989482E+00
 103    0.295991E-04    0.289686E+02 -0.102177E-05 0.100000E-04    0.994575E+00
 104   -0.385633E-04    0.287200E+02  0.134273E-05 0.100000E-04    0.993842E+00
 105    0.193867E-04    0.233728E+02 -0.829455E-06 0.100000E-04    0.990569E+00
 106   -0.298765E-05    0.219094E+02  0.136364E-06 0.100000E-04    0.940554E+00
 107    0.914970E-04    0.195880E+02 -0.467107E-05 0.100000E-04    0.992525E+00
 108    0.838578E-04    0.166654E+02 -0.503186E-05 0.100000E-04    0.998385E+00
 109    0.648326E-04    0.138475E+02 -0.468190E-05 0.100000E-04    0.996196E+00
 110    0.598301E-04    0.125567E+02 -0.476481E-05 0.100000E-04    0.980154E+00
 111    0.107928E-03    0.114104E+02 -0.945870E-05 0.100000E-04    0.996044E+00
 112    0.207254E-04    0.943887E+01 -0.219575E-05 0.100000E-04    0.980017E+00
 113    0.414483E-02    0.759827E+01 -0.117690E-04 0.117690E-04    0.124105E-01
 114    0.253187E+00    0.481396E+01  0.400000E-03 0.400000E-03    0.148928E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5244963063E-01

 Beginning of optimization cycle  113.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3962530497
 potential> RMS force:                                               0.0238965132   |gradient|=.2551449409    
 Eigenvalues of the Hessian matrix:
   720.27223    670.83818    623.66387    603.56521    589.67304    564.34346 
   562.08821    478.33057    470.01090    463.23282    441.48092    431.57652 
   420.46015    405.82751    398.32816    388.43989    366.97012    363.82332 
   352.56013    343.03717    324.19645    322.67883    318.55795    316.89112 
   305.32700    287.35695    279.89206    271.44495    265.76665    262.22125 
   257.72518    253.41163    243.86897    239.31747    234.38038    228.53296 
   224.45423    212.72508    211.21096    209.70965    202.93972    198.51024 
   195.38854    191.62700    186.31539    177.98234    170.72724    168.10293 
   165.73234    160.55938    153.65774    151.04001    148.67529    142.61970 
   136.91499    134.76660    130.99950    127.68012    125.76846    124.67310 
   119.42728    117.95049    116.44396    112.54106    110.07894    105.51422 
   102.82856    100.44954     97.20425     95.05520     91.22493     90.68402 
    88.32303     84.48529     80.88418     79.13824     78.67767     72.98457 
    71.37699     69.27390     67.72141     63.48804     62.15765     59.65843 
    58.61756     55.82555     53.61180     52.28707     50.30335     48.00782 
    43.58753     39.85419     37.38713     36.20064     34.85815     29.42065 
    28.96727     28.72042     23.36774     21.91024     19.58866     16.66799 
    13.84610     12.55311     11.40033      9.44074      7.59885      4.81414 
overlap for current and previous eigenvector    109 is        -0.9999967533
overlap for current and previous eigenvector    110 is         0.9999929489
overlap for current and previous eigenvector    111 is        -0.9999899204
overlap for current and previous eigenvector    112 is        -0.9999995175
overlap for current and previous eigenvector    113 is        -0.9999992325
overlap for current and previous eigenvector    114 is        -0.9999993407
J1,K1,R1,R2,RAT=   7   7    0.5665716772         1.433263061        0.4332630610    
FOB,PFOB,DIAG,PSTEP=    0.5026729658E-08    0.1159885604E-07     720.2722279       -0.1610476441E-10
J1,K1,R1,R2,RAT=   8   8   -0.2616429935E-01     2.026113172        0.9738357007    
FOB,PFOB,DIAG,PSTEP=   -0.9046400182E-06   -0.8815736711E-06     670.8381769        0.1314171194E-08
J1,K1,R1,R2,RAT=   9   9   -0.1308751303E-01     2.013018960        0.9869124870    
FOB,PFOB,DIAG,PSTEP=    0.6761682337E-06    0.6674328975E-06     623.6638714       -0.1070217157E-08
J1,K1,R1,R2,RAT=  10  10    0.9862446864E-03     1.998964534        0.9989645340    
FOB,PFOB,DIAG,PSTEP=    0.1385623529E-05    0.1386991476E-05     603.5652059       -0.2298054291E-08
J1,K1,R1,R2,RAT=  11  11    0.5442438270E-04     1.999946995        0.9999455756    
FOB,PFOB,DIAG,PSTEP=   -0.9650909989E-06   -0.9651435262E-06     589.6730382        0.1636742362E-08
J1,K1,R1,R2,RAT= 109 109     2.004263853       -0.4061958453E-02    0.9959380415    
FOB,PFOB,DIAG,PSTEP=   -0.6509587357E-04    0.6483255302E-04     13.84610475       -0.4681895028E-05
J1,K1,R1,R2,RAT= 110 110   -0.1232985291E-01     2.012895439        0.9876701471    
FOB,PFOB,DIAG,PSTEP=    0.6056757882E-04    0.5983009116E-04     12.55311019       -0.4764809318E-05
J1,K1,R1,R2,RAT= 111 111     2.009502625       -0.7732789313E-02    0.9922672107    
FOB,PFOB,DIAG,PSTEP=   -0.1087615498E-03    0.1079277055E-03     11.40032828       -0.9458699793E-05
J1,K1,R1,R2,RAT= 112 112     1.993063657        0.6539913974E-02    0.9930636566    
FOB,PFOB,DIAG,PSTEP=   -0.2058981140E-04    0.2072538048E-04     9.440737420       -0.2195748960E-05
J1,K1,R1,R2,RAT= 113 113     93.51956325       -0.8262919424        0.1737080576    
FOB,PFOB,DIAG,PSTEP=   -0.4218730602E-02    0.4144834338E-02     7.598848398       -0.1176904391E-04
J1,K1,R1,R2,RAT= 114 114    -263.9607242        0.9984974383        0.1502561741E-02
FOB,PFOB,DIAG,PSTEP=   -0.2551099400        0.2531871791         4.814135897        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000     -0.00000      0.00001      0.00001      0.00001 
     0.00001      0.00002     -0.00001      0.00000      0.00000     -0.00001 
    -0.00000      0.00000     -0.00000      0.00001      0.00000     -0.00002 
    -0.00001      0.00002     -0.00001     -0.00002      0.00000      0.00003 
    -0.00003      0.00001     -0.00001     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003      0.00000      0.00000      0.00002      0.00001 
    -0.00000      0.00003      0.00003     -0.00002      0.00003     -0.00001 
    -0.00002      0.00001      0.00003     -0.00003      0.00009     -0.00004 
     0.00003      0.00004      0.00002      0.00000      0.00009     -0.00008 
    -0.00007      0.00006     -0.00011     -0.00002     -0.00422     -0.25511 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4377927351
 Log product of positive Hessian eigenvalues =          520.4156069519
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8141358966
 Unscaled step for mode    7=       -0.0000000000
 Unscaled step for mode    8=        0.0000000013
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000050
 Unscaled step for mode   13=       -0.0000000032
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000030
 Unscaled step for mode   17=       -0.0000000028
 Unscaled step for mode   18=       -0.0000000075
 Unscaled step for mode   19=       -0.0000000161
 Unscaled step for mode   20=       -0.0000000196
 Unscaled step for mode   21=       -0.0000000118
 Unscaled step for mode   22=        0.0000000003
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000233
 Unscaled step for mode   26=        0.0000000366
 Unscaled step for mode   27=        0.0000000206
 Unscaled step for mode   28=        0.0000000162
 Unscaled step for mode   29=        0.0000000240
 Unscaled step for mode   30=        0.0000000196
 Unscaled step for mode   31=        0.0000000069
 Unscaled step for mode   32=        0.0000000013
 Unscaled step for mode   33=       -0.0000000153
 Unscaled step for mode   34=       -0.0000000073
 Unscaled step for mode   35=       -0.0000000471
 Unscaled step for mode   36=       -0.0000000088
 Unscaled step for mode   37=        0.0000000214
 Unscaled step for mode   38=        0.0000000114
 Unscaled step for mode   39=        0.0000000377
 Unscaled step for mode   40=       -0.0000000188
 Unscaled step for mode   41=       -0.0000000238
 Unscaled step for mode   42=        0.0000000109
 Unscaled step for mode   43=       -0.0000000091
 Unscaled step for mode   44=        0.0000000125
 Unscaled step for mode   45=       -0.0000000170
 Unscaled step for mode   46=       -0.0000000262
 Unscaled step for mode   47=        0.0000000657
 Unscaled step for mode   48=        0.0000000041
 Unscaled step for mode   49=       -0.0000000370
 Unscaled step for mode   50=       -0.0000000280
 Unscaled step for mode   51=        0.0000000278
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=       -0.0000000319
 Unscaled step for mode   54=        0.0000000163
 Unscaled step for mode   55=        0.0000000633
 Unscaled step for mode   56=       -0.0000000236
 Unscaled step for mode   57=        0.0000000113
 Unscaled step for mode   58=       -0.0000000548
 Unscaled step for mode   59=       -0.0000000357
 Unscaled step for mode   60=       -0.0000000614
 Unscaled step for mode   61=       -0.0000000486
 Unscaled step for mode   62=       -0.0000001457
 Unscaled step for mode   63=        0.0000000966
 Unscaled step for mode   64=       -0.0000000225
 Unscaled step for mode   65=       -0.0000000101
 Unscaled step for mode   66=        0.0000001109
 Unscaled step for mode   67=        0.0000000089
 Unscaled step for mode   68=       -0.0000000321
 Unscaled step for mode   69=        0.0000000012
 Unscaled step for mode   70=       -0.0000000606
 Unscaled step for mode   71=       -0.0000000014
 Unscaled step for mode   72=        0.0000001638
 Unscaled step for mode   73=        0.0000000646
 Unscaled step for mode   74=       -0.0000001989
 Unscaled step for mode   75=        0.0000001378
 Unscaled step for mode   76=        0.0000001738
 Unscaled step for mode   77=       -0.0000000070
 Unscaled step for mode   78=       -0.0000003390
 Unscaled step for mode   79=        0.0000003359
 Unscaled step for mode   80=       -0.0000000908
 Unscaled step for mode   81=        0.0000001128
 Unscaled step for mode   82=        0.0000001859
 Unscaled step for mode   83=       -0.0000001031
 Unscaled step for mode   84=        0.0000001570
 Unscaled step for mode   85=        0.0000003024
 Unscaled step for mode   86=        0.0000003971
 Unscaled step for mode   87=       -0.0000000718
 Unscaled step for mode   88=       -0.0000000039
 Unscaled step for mode   89=       -0.0000003930
 Unscaled step for mode   90=       -0.0000001934
 Unscaled step for mode   91=        0.0000000126
 Unscaled step for mode   92=       -0.0000004867
 Unscaled step for mode   93=       -0.0000006128
 Unscaled step for mode   94=        0.0000003058
 Unscaled step for mode   95=       -0.0000006165
 Unscaled step for mode   96=        0.0000001806
 Unscaled step for mode   97=        0.0000004479
 Unscaled step for mode   98=       -0.0000003521
 Unscaled step for mode   99=       -0.0000007696
 Unscaled step for mode  100=        0.0000008458
 Unscaled step for mode  101=       -0.0000026149
 Unscaled step for mode  102=        0.0000012926
 Unscaled step for mode  103=       -0.0000010259
 Unscaled step for mode  104=       -0.0000013454
 Unscaled step for mode  105=       -0.0000008395
 Unscaled step for mode  106=       -0.0000001268
 Unscaled step for mode  107=       -0.0000046947
 Unscaled step for mode  108=        0.0000050310
 Unscaled step for mode  109=        0.0000047014
 Unscaled step for mode  110=       -0.0000048249
 Unscaled step for mode  111=        0.0000095402
 Unscaled step for mode  112=        0.0000021810
 Unscaled step for mode  113=        0.0005551801
 Unscaled step for mode  114=       -0.0528438660
 Largest modulus ratio of non-zero e/values=           149.6160980    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.482904E-15    0.101881E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.709502E-15    0.100765E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.299383E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.433681E-18    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.106252E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.188380E-15    0.973537E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7    0.502673E-08    0.720272E+03 -0.697893E-11 0.100000E-04    0.433263E+00
   8   -0.904640E-06    0.670838E+03  0.134852E-08 0.100000E-04    0.973836E+00
   9    0.676168E-06    0.623664E+03 -0.108419E-08 0.100000E-04    0.986912E+00
  10    0.138562E-05    0.603565E+03 -0.229573E-08 0.100000E-04    0.998965E+00
  11   -0.965091E-06    0.589673E+03  0.163665E-08 0.100000E-04    0.999946E+00
  12    0.283827E-05    0.564343E+03 -0.502934E-08 0.100000E-04    0.994556E+00
  13    0.177893E-05    0.562088E+03 -0.316487E-08 0.100000E-04    0.988243E+00
  14   -0.554645E-05    0.478331E+03  0.115954E-07 0.100000E-04    0.998759E+00
  15    0.167967E-05    0.470011E+03 -0.357367E-08 0.100000E-04    0.993767E+00
  16    0.137616E-05    0.463233E+03 -0.297078E-08 0.100000E-04    0.992167E+00
  17    0.123615E-05    0.441481E+03 -0.280001E-08 0.100000E-04    0.994845E+00
  18    0.325274E-05    0.431577E+03 -0.753687E-08 0.100000E-04    0.994257E+00
  19    0.677409E-05    0.420460E+03 -0.161111E-07 0.100000E-04    0.993833E+00
  20    0.795729E-05    0.405828E+03 -0.196076E-07 0.100000E-04    0.997848E+00
  21    0.468582E-05    0.398328E+03 -0.117637E-07 0.100000E-04    0.994573E+00
  22   -0.973842E-07    0.388440E+03  0.250706E-09 0.100000E-04    0.850687E+00
  23   -0.190755E-05    0.366970E+03  0.519810E-08 0.100000E-04    0.996948E+00
  24    0.189575E-05    0.363823E+03 -0.521065E-08 0.100000E-04    0.999713E+00
  25   -0.822696E-05    0.352560E+03  0.233349E-07 0.100000E-04    0.993100E+00
  26   -0.125414E-04    0.343037E+03  0.365599E-07 0.100000E-04    0.992276E+00
  27   -0.666797E-05    0.324196E+03  0.205677E-07 0.100000E-04    0.993298E+00
  28   -0.524166E-05    0.322679E+03  0.162442E-07 0.100000E-04    0.997319E+00
  29   -0.763412E-05    0.318558E+03  0.239646E-07 0.100000E-04    0.991715E+00
  30   -0.622263E-05    0.316891E+03  0.196365E-07 0.100000E-04    0.983921E+00
  31   -0.211622E-05    0.305327E+03  0.693101E-08 0.100000E-04    0.982033E+00
  32   -0.360257E-06    0.287357E+03  0.125369E-08 0.100000E-04    0.961122E+00
  33    0.427998E-05    0.279892E+03 -0.152915E-07 0.100000E-04    0.993789E+00
  34    0.197654E-05    0.271445E+03 -0.728155E-08 0.100000E-04    0.994936E+00
  35    0.125243E-04    0.265767E+03 -0.471253E-07 0.100000E-04    0.992402E+00
  36    0.230442E-05    0.262221E+03 -0.878806E-08 0.100000E-04    0.986935E+00
  37   -0.551040E-05    0.257725E+03  0.213809E-07 0.100000E-04    0.991212E+00
  38   -0.289487E-05    0.253412E+03  0.114236E-07 0.100000E-04    0.992205E+00
  39   -0.919448E-05    0.243869E+03  0.377025E-07 0.100000E-04    0.993476E+00
  40    0.448896E-05    0.239317E+03 -0.187573E-07 0.100000E-04    0.983850E+00
  41    0.556798E-05    0.234380E+03 -0.237561E-07 0.100000E-04    0.986409E+00
  42   -0.248835E-05    0.228533E+03  0.108883E-07 0.100000E-04    0.987937E+00
  43    0.205145E-05    0.224454E+03 -0.913975E-08 0.100000E-04    0.984987E+00
  44   -0.266346E-05    0.212725E+03  0.125207E-07 0.100000E-04    0.968167E+00
  45    0.358564E-05    0.211211E+03 -0.169766E-07 0.100000E-04    0.997604E+00
  46    0.549402E-05    0.209710E+03 -0.261982E-07 0.100000E-04    0.985259E+00
  47   -0.133318E-04    0.202940E+03  0.656935E-07 0.100000E-04    0.990970E+00
  48   -0.820974E-06    0.198510E+03  0.413567E-08 0.100000E-04    0.983944E+00
  49    0.722780E-05    0.195389E+03 -0.369919E-07 0.100000E-04    0.989398E+00
  50    0.536346E-05    0.191627E+03 -0.279891E-07 0.100000E-04    0.996216E+00
  51   -0.518875E-05    0.186315E+03  0.278493E-07 0.100000E-04    0.990368E+00
  52    0.396897E-06    0.177982E+03 -0.222998E-08 0.100000E-04    0.989590E+00
  53    0.543961E-05    0.170727E+03 -0.318614E-07 0.100000E-04    0.992664E+00
  54   -0.273270E-05    0.168103E+03  0.162561E-07 0.100000E-04    0.983323E+00
  55   -0.104934E-04    0.165732E+03  0.633153E-07 0.100000E-04    0.992865E+00
  56    0.379071E-05    0.160559E+03 -0.236094E-07 0.100000E-04    0.996479E+00
  57   -0.173884E-05    0.153658E+03  0.113163E-07 0.100000E-04    0.988195E+00
  58    0.828064E-05    0.151040E+03 -0.548242E-07 0.100000E-04    0.993562E+00
  59    0.531378E-05    0.148675E+03 -0.357409E-07 0.100000E-04    0.990651E+00
  60    0.875131E-05    0.142620E+03 -0.613612E-07 0.100000E-04    0.989995E+00
  61    0.665597E-05    0.136915E+03 -0.486139E-07 0.100000E-04    0.993047E+00
  62    0.196333E-04    0.134767E+03 -0.145684E-06 0.100000E-04    0.994457E+00
  63   -0.126555E-04    0.130999E+03  0.966069E-07 0.100000E-04    0.994981E+00
  64    0.287278E-05    0.127680E+03 -0.224998E-07 0.100000E-04    0.984787E+00
  65    0.127653E-05    0.125768E+03 -0.101499E-07 0.100000E-04    0.980175E+00
  66   -0.138207E-04    0.124673E+03  0.110855E-06 0.100000E-04    0.993675E+00
  67   -0.106544E-05    0.119427E+03  0.892127E-08 0.100000E-04    0.983871E+00
  68    0.378219E-05    0.117950E+03 -0.320659E-07 0.100000E-04    0.992303E+00
  69   -0.140219E-06    0.116444E+03  0.120418E-08 0.100000E-04    0.906109E+00
  70    0.681538E-05    0.112541E+03 -0.605591E-07 0.100000E-04    0.986527E+00
  71    0.158471E-06    0.110079E+03 -0.143961E-08 0.100000E-04    0.942356E+00
  72   -0.172815E-04    0.105514E+03  0.163784E-06 0.100000E-04    0.992984E+00
  73   -0.664118E-05    0.102829E+03  0.645849E-07 0.100000E-04    0.986335E+00
  74    0.199811E-04    0.100450E+03 -0.198917E-06 0.100000E-04    0.994586E+00
  75   -0.133995E-04    0.972042E+02  0.137849E-06 0.100000E-04    0.987569E+00
  76   -0.165248E-04    0.950552E+02  0.173844E-06 0.100000E-04    0.992117E+00
  77    0.638077E-06    0.912249E+02 -0.699454E-08 0.100000E-04    0.926712E+00
  78    0.307455E-04    0.906840E+02 -0.339040E-06 0.100000E-04    0.990666E+00
  79   -0.296664E-04    0.883230E+02  0.335885E-06 0.100000E-04    0.996755E+00
  80    0.767145E-05    0.844853E+02 -0.908022E-07 0.100000E-04    0.989551E+00
  81   -0.912370E-05    0.808842E+02  0.112800E-06 0.100000E-04    0.993074E+00
  82   -0.147084E-04    0.791382E+02  0.185857E-06 0.100000E-04    0.997931E+00
  83    0.811374E-05    0.786777E+02 -0.103126E-06 0.100000E-04    0.995672E+00
  84   -0.114564E-04    0.729846E+02  0.156970E-06 0.100000E-04    0.992218E+00
  85   -0.215841E-04    0.713770E+02  0.302396E-06 0.100000E-04    0.994562E+00
  86   -0.275090E-04    0.692739E+02  0.397105E-06 0.100000E-04    0.994231E+00
  87    0.486323E-05    0.677214E+02 -0.718123E-07 0.100000E-04    0.981614E+00
  88    0.245358E-06    0.634880E+02 -0.386463E-08 0.100000E-04    0.951572E+00
  89    0.244264E-04    0.621576E+02 -0.392975E-06 0.100000E-04    0.993667E+00
  90    0.115370E-04    0.596584E+02 -0.193385E-06 0.100000E-04    0.995297E+00
  91   -0.740708E-06    0.586176E+02  0.126363E-07 0.100000E-04    0.974771E+00
  92    0.271686E-04    0.558256E+02 -0.486670E-06 0.100000E-04    0.990234E+00
  93    0.328513E-04    0.536118E+02 -0.612762E-06 0.100000E-04    0.996822E+00
  94   -0.159884E-04    0.522871E+02  0.305780E-06 0.100000E-04    0.992752E+00
  95    0.310139E-04    0.503033E+02 -0.616537E-06 0.100000E-04    0.997223E+00
  96   -0.866885E-05    0.480078E+02  0.180572E-06 0.100000E-04    0.993673E+00
  97   -0.195241E-04    0.435875E+02  0.447929E-06 0.100000E-04    0.994304E+00
  98    0.140343E-04    0.398542E+02 -0.352140E-06 0.100000E-04    0.993461E+00
  99    0.287744E-04    0.373871E+02 -0.769635E-06 0.100000E-04    0.988825E+00
 100   -0.306171E-04    0.362006E+02  0.845761E-06 0.100000E-04    0.998004E+00
 101    0.911508E-04    0.348581E+02 -0.261491E-05 0.100000E-04    0.994499E+00
 102   -0.380298E-04    0.294207E+02  0.129262E-05 0.100000E-04    0.995201E+00
 103    0.297184E-04    0.289673E+02 -0.102593E-05 0.100000E-04    0.995970E+00
 104    0.386394E-04    0.287204E+02 -0.134536E-05 0.100000E-04    0.998028E+00
 105    0.196162E-04    0.233677E+02 -0.839457E-06 0.100000E-04    0.988161E+00
 106    0.277823E-05    0.219102E+02 -0.126801E-06 0.100000E-04    0.929835E+00
 107    0.919622E-04    0.195887E+02 -0.469467E-05 0.100000E-04    0.994915E+00
 108   -0.838561E-04    0.166680E+02  0.503097E-05 0.100000E-04    0.999666E+00
 109   -0.650959E-04    0.138461E+02  0.470139E-05 0.100000E-04    0.995938E+00
 110    0.605676E-04    0.125531E+02 -0.482491E-05 0.100000E-04    0.987670E+00
 111   -0.108762E-03    0.114003E+02  0.954021E-05 0.100000E-04    0.992267E+00
 112   -0.205898E-04    0.944074E+01  0.218095E-05 0.100000E-04    0.993064E+00
 113   -0.421873E-02    0.759885E+01  0.128283E-04 0.128283E-04    0.173708E+00
 114   -0.255110E+00    0.481414E+01 -0.400000E-03 0.400000E-03    0.150256E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5284386598E-01

 Beginning of optimization cycle  114.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3961506757
 potential> RMS force:                                               0.0240766773   |gradient|=.2570685676    
 Eigenvalues of the Hessian matrix:
   720.33170    670.85520    623.68512    603.58004    589.67244    564.36442 
   562.12682    478.34697    469.98838    463.22158    441.47835    431.56625 
   420.46800    405.83838    398.32447    388.44423    366.97176    363.81291 
   352.55070    342.99743    324.20213    322.65815    318.54778    316.90618 
   305.32472    287.35925    279.88810    271.43841    265.76654    262.22948 
   257.72846    253.41312    243.85563    239.30580    234.39141    228.53562 
   224.43560    212.72256    211.21539    209.69915    202.94221    198.50557 
   195.39132    191.62640    186.30920    177.96756    170.72953    168.10110 
   165.73106    160.55575    153.65324    151.03922    148.68187    142.62376 
   136.91550    134.77139    130.99852    127.67952    125.77196    124.68015 
   119.42769    117.95007    116.44772    112.53377    110.07044    105.51032 
   102.82894    100.44519     97.20275     95.05607     91.21871     90.69031 
    88.33470     84.48664     80.88412     79.14169     78.67574     72.98173 
    71.38006     69.26491     67.72458     63.48572     62.15110     59.65831 
    58.62063     55.82578     53.60944     52.28579     50.30335     48.00705 
    43.58298     39.85701     37.37973     36.20136     34.86531     29.41156 
    28.96593     28.72079     23.36267     21.91105     19.58932     16.67056 
    13.84472     12.54960     11.39016      9.44261      7.59939      4.81427 
overlap for current and previous eigenvector    109 is         0.9999967957
overlap for current and previous eigenvector    110 is         0.9999930730
overlap for current and previous eigenvector    111 is        -0.9999900433
overlap for current and previous eigenvector    112 is        -0.9999995115
overlap for current and previous eigenvector    113 is         0.9999992302
overlap for current and previous eigenvector    114 is         0.9999993445
J1,K1,R1,R2,RAT=   7   7     1.296933260        0.7029016152        0.2969332602    
FOB,PFOB,DIAG,PSTEP=   -0.1493141521E-08    0.5026729658E-08     720.3317002       -0.6978930275E-11
J1,K1,R1,R2,RAT=   8   8   -0.2652343184E-01     2.026472682        0.9734765682    
FOB,PFOB,DIAG,PSTEP=   -0.9286347849E-06   -0.9046400182E-06     670.8551999        0.1348521968E-08
J1,K1,R1,R2,RAT=   9   9   -0.1331214926E-01     2.013244018        0.9866878507    
FOB,PFOB,DIAG,PSTEP=    0.6851697928E-06    0.6761682337E-06     623.6851175       -0.1084186955E-08
J1,K1,R1,R2,RAT=  10  10    0.1306726113E-02     1.998644106        0.9986441056    
FOB,PFOB,DIAG,PSTEP=    0.1383812854E-05    0.1385623529E-05     603.5800444       -0.2295731291E-08
J1,K1,R1,R2,RAT=  11  11    0.6248447353E-03     1.999377182        0.9993751553    
FOB,PFOB,DIAG,PSTEP=   -0.9644879675E-06   -0.9650909989E-06     589.6724407        0.1636654445E-08
J1,K1,R1,R2,RAT= 109 109   -0.4352080105E-02     2.004552246        0.9956479199    
FOB,PFOB,DIAG,PSTEP=   -0.6537914768E-04   -0.6509587357E-04     13.84471913        0.4701385316E-05
J1,K1,R1,R2,RAT= 110 110   -0.1120992982E-01     2.011769043        0.9887900702    
FOB,PFOB,DIAG,PSTEP=    0.6124634738E-04    0.6056757882E-04     12.54960187       -0.4824906170E-05
J1,K1,R1,R2,RAT= 111 111     2.010235101       -0.8450412584E-02    0.9915495874    
FOB,PFOB,DIAG,PSTEP=    0.1096798103E-03   -0.1087615498E-03     11.39016434        0.9540212096E-05
J1,K1,R1,R2,RAT= 112 112     1.993969152        0.5634007480E-02    0.9939691524    
FOB,PFOB,DIAG,PSTEP=    0.2047378523E-04   -0.2058981140E-04     9.442611023        0.2180953721E-05
J1,K1,R1,R2,RAT= 113 113   -0.6788171299         87.22847029        0.3211828701    
FOB,PFOB,DIAG,PSTEP=   -0.4284906409E-02   -0.4218730602E-02     7.599390749        0.1282825787E-04
J1,K1,R1,R2,RAT= 114 114    0.9984862493        -265.9503732        0.1513750716E-02
FOB,PFOB,DIAG,PSTEP=   -0.2570327327       -0.2551099400         4.814269168       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001     -0.00001      0.00001 
    -0.00001      0.00002     -0.00001      0.00000      0.00000     -0.00001 
    -0.00000      0.00000      0.00000     -0.00001      0.00000      0.00002 
     0.00001      0.00002      0.00001     -0.00002      0.00000      0.00003 
    -0.00003     -0.00001      0.00001     -0.00001     -0.00001      0.00001 
    -0.00002     -0.00003      0.00000      0.00000     -0.00002      0.00001 
     0.00000     -0.00003      0.00003     -0.00002     -0.00003     -0.00001 
    -0.00002      0.00001      0.00003     -0.00003     -0.00009      0.00004 
     0.00003     -0.00004      0.00002      0.00000      0.00009     -0.00008 
    -0.00007      0.00006      0.00011      0.00002     -0.00428     -0.25703 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4378314604
 Log product of positive Hessian eigenvalues =          520.4139185875
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8142691678
 Unscaled step for mode    7=        0.0000000000
 Unscaled step for mode    8=        0.0000000014
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000051
 Unscaled step for mode   13=       -0.0000000031
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000030
 Unscaled step for mode   17=       -0.0000000028
 Unscaled step for mode   18=       -0.0000000076
 Unscaled step for mode   19=       -0.0000000162
 Unscaled step for mode   20=       -0.0000000196
 Unscaled step for mode   21=       -0.0000000118
 Unscaled step for mode   22=        0.0000000002
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000235
 Unscaled step for mode   26=        0.0000000368
 Unscaled step for mode   27=        0.0000000207
 Unscaled step for mode   28=        0.0000000162
 Unscaled step for mode   29=        0.0000000242
 Unscaled step for mode   30=        0.0000000200
 Unscaled step for mode   31=        0.0000000071
 Unscaled step for mode   32=        0.0000000013
 Unscaled step for mode   33=       -0.0000000154
 Unscaled step for mode   34=       -0.0000000073
 Unscaled step for mode   35=       -0.0000000475
 Unscaled step for mode   36=       -0.0000000089
 Unscaled step for mode   37=        0.0000000216
 Unscaled step for mode   38=        0.0000000115
 Unscaled step for mode   39=        0.0000000379
 Unscaled step for mode   40=       -0.0000000191
 Unscaled step for mode   41=       -0.0000000241
 Unscaled step for mode   42=        0.0000000110
 Unscaled step for mode   43=       -0.0000000093
 Unscaled step for mode   44=        0.0000000129
 Unscaled step for mode   45=       -0.0000000170
 Unscaled step for mode   46=       -0.0000000266
 Unscaled step for mode   47=        0.0000000663
 Unscaled step for mode   48=        0.0000000041
 Unscaled step for mode   49=       -0.0000000374
 Unscaled step for mode   50=       -0.0000000281
 Unscaled step for mode   51=        0.0000000281
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=        0.0000000321
 Unscaled step for mode   54=       -0.0000000165
 Unscaled step for mode   55=        0.0000000638
 Unscaled step for mode   56=       -0.0000000237
 Unscaled step for mode   57=        0.0000000114
 Unscaled step for mode   58=        0.0000000552
 Unscaled step for mode   59=        0.0000000361
 Unscaled step for mode   60=       -0.0000000620
 Unscaled step for mode   61=        0.0000000489
 Unscaled step for mode   62=       -0.0000001465
 Unscaled step for mode   63=        0.0000000971
 Unscaled step for mode   64=       -0.0000000228
 Unscaled step for mode   65=       -0.0000000099
 Unscaled step for mode   66=        0.0000001115
 Unscaled step for mode   67=        0.0000000091
 Unscaled step for mode   68=       -0.0000000323
 Unscaled step for mode   69=       -0.0000000011
 Unscaled step for mode   70=        0.0000000614
 Unscaled step for mode   71=       -0.0000000015
 Unscaled step for mode   72=       -0.0000001649
 Unscaled step for mode   73=       -0.0000000655
 Unscaled step for mode   74=       -0.0000002000
 Unscaled step for mode   75=       -0.0000001396
 Unscaled step for mode   76=        0.0000001752
 Unscaled step for mode   77=       -0.0000000075
 Unscaled step for mode   78=       -0.0000003422
 Unscaled step for mode   79=        0.0000003369
 Unscaled step for mode   80=        0.0000000917
 Unscaled step for mode   81=       -0.0000001136
 Unscaled step for mode   82=        0.0000001862
 Unscaled step for mode   83=        0.0000001036
 Unscaled step for mode   84=       -0.0000001582
 Unscaled step for mode   85=        0.0000003040
 Unscaled step for mode   86=        0.0000003994
 Unscaled step for mode   87=       -0.0000000704
 Unscaled step for mode   88=       -0.0000000040
 Unscaled step for mode   89=        0.0000003954
 Unscaled step for mode   90=       -0.0000001942
 Unscaled step for mode   91=       -0.0000000123
 Unscaled step for mode   92=        0.0000004914
 Unscaled step for mode   93=       -0.0000006147
 Unscaled step for mode   94=        0.0000003080
 Unscaled step for mode   95=        0.0000006182
 Unscaled step for mode   96=        0.0000001817
 Unscaled step for mode   97=        0.0000004503
 Unscaled step for mode   98=       -0.0000003544
 Unscaled step for mode   99=       -0.0000007781
 Unscaled step for mode  100=        0.0000008474
 Unscaled step for mode  101=        0.0000026283
 Unscaled step for mode  102=       -0.0000012992
 Unscaled step for mode  103=       -0.0000010298
 Unscaled step for mode  104=        0.0000013476
 Unscaled step for mode  105=       -0.0000008489
 Unscaled step for mode  106=       -0.0000001166
 Unscaled step for mode  107=       -0.0000047166
 Unscaled step for mode  108=        0.0000050309
 Unscaled step for mode  109=        0.0000047223
 Unscaled step for mode  110=       -0.0000048803
 Unscaled step for mode  111=       -0.0000096293
 Unscaled step for mode  112=       -0.0000021682
 Unscaled step for mode  113=        0.0005638485
 Unscaled step for mode  114=       -0.0532384475
 Largest modulus ratio of non-zero e/values=           149.6243095    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.402022E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.748208E-15    0.100765E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.357218E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.316718E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.634041E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.237427E-15    0.973538E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.149314E-08    0.720332E+03  0.207285E-11 0.100000E-04    0.296933E+00
   8   -0.928635E-06    0.670855E+03  0.138426E-08 0.100000E-04    0.973477E+00
   9    0.685170E-06    0.623685E+03 -0.109858E-08 0.100000E-04    0.986688E+00
  10    0.138381E-05    0.603580E+03 -0.229267E-08 0.100000E-04    0.998644E+00
  11   -0.964488E-06    0.589672E+03  0.163563E-08 0.100000E-04    0.999375E+00
  12    0.285363E-05    0.564364E+03 -0.505637E-08 0.100000E-04    0.994588E+00
  13    0.175686E-05    0.562127E+03 -0.312538E-08 0.100000E-04    0.987454E+00
  14   -0.555303E-05    0.478347E+03  0.116088E-07 0.100000E-04    0.998814E+00
  15    0.169055E-05    0.469988E+03 -0.359701E-08 0.100000E-04    0.993517E+00
  16    0.138692E-05    0.463222E+03 -0.299408E-08 0.100000E-04    0.992182E+00
  17    0.124187E-05    0.441478E+03 -0.281298E-08 0.100000E-04    0.995372E+00
  18    0.327074E-05    0.431566E+03 -0.757876E-08 0.100000E-04    0.994466E+00
  19    0.681524E-05    0.420468E+03 -0.162087E-07 0.100000E-04    0.993926E+00
  20    0.797289E-05    0.405838E+03 -0.196455E-07 0.100000E-04    0.998039E+00
  21    0.471012E-05    0.398324E+03 -0.118248E-07 0.100000E-04    0.994814E+00
  22   -0.796631E-07    0.388444E+03  0.205082E-09 0.100000E-04    0.818009E+00
  23   -0.190099E-05    0.366972E+03  0.518021E-08 0.100000E-04    0.996553E+00
  24    0.189545E-05    0.363813E+03 -0.520995E-08 0.100000E-04    0.999838E+00
  25   -0.828358E-05    0.352551E+03  0.234962E-07 0.100000E-04    0.993117E+00
  26   -0.126372E-04    0.342997E+03  0.368433E-07 0.100000E-04    0.992364E+00
  27   -0.671276E-05    0.324202E+03  0.207055E-07 0.100000E-04    0.993283E+00
  28   -0.522738E-05    0.322658E+03  0.162010E-07 0.100000E-04    0.997275E+00
  29   -0.769603E-05    0.318548E+03  0.241597E-07 0.100000E-04    0.991891E+00
  30   -0.632432E-05    0.316906E+03  0.199564E-07 0.100000E-04    0.983660E+00
  31   -0.215439E-05    0.305325E+03  0.705608E-08 0.100000E-04    0.981963E+00
  32   -0.373732E-06    0.287359E+03  0.130058E-08 0.100000E-04    0.962595E+00
  33    0.430602E-05    0.279888E+03 -0.153848E-07 0.100000E-04    0.993914E+00
  34    0.198537E-05    0.271438E+03 -0.731424E-08 0.100000E-04    0.995535E+00
  35    0.126210E-04    0.265767E+03 -0.474889E-07 0.100000E-04    0.992285E+00
  36    0.233456E-05    0.262229E+03 -0.890273E-08 0.100000E-04    0.986920E+00
  37   -0.555849E-05    0.257728E+03  0.215672E-07 0.100000E-04    0.991273E+00
  38   -0.291773E-05    0.253413E+03  0.115137E-07 0.100000E-04    0.992104E+00
  39   -0.925325E-05    0.243856E+03  0.379456E-07 0.100000E-04    0.993608E+00
  40    0.456203E-05    0.239306E+03 -0.190636E-07 0.100000E-04    0.983721E+00
  41    0.564459E-05    0.234391E+03 -0.240819E-07 0.100000E-04    0.986241E+00
  42   -0.252008E-05    0.228536E+03  0.110271E-07 0.100000E-04    0.987246E+00
  43    0.208279E-05    0.224436E+03 -0.928014E-08 0.100000E-04    0.984722E+00
  44   -0.274996E-05    0.212723E+03  0.129275E-07 0.100000E-04    0.967523E+00
  45    0.359404E-05    0.211215E+03 -0.170160E-07 0.100000E-04    0.997659E+00
  46    0.557557E-05    0.209699E+03 -0.265884E-07 0.100000E-04    0.985156E+00
  47   -0.134532E-04    0.202942E+03  0.662908E-07 0.100000E-04    0.990895E+00
  48   -0.807445E-06    0.198506E+03  0.406762E-08 0.100000E-04    0.983521E+00
  49    0.730486E-05    0.195391E+03 -0.373858E-07 0.100000E-04    0.989338E+00
  50    0.538052E-05    0.191626E+03 -0.280782E-07 0.100000E-04    0.996820E+00
  51   -0.523884E-05    0.186309E+03  0.281191E-07 0.100000E-04    0.990346E+00
  52    0.391620E-06    0.177968E+03 -0.220051E-08 0.100000E-04    0.986703E+00
  53   -0.547893E-05    0.170730E+03  0.320913E-07 0.100000E-04    0.992772E+00
  54    0.277865E-05    0.168101E+03 -0.165296E-07 0.100000E-04    0.983185E+00
  55   -0.105691E-04    0.165731E+03  0.637726E-07 0.100000E-04    0.992785E+00
  56    0.380379E-05    0.160556E+03 -0.236914E-07 0.100000E-04    0.996548E+00
  57   -0.175869E-05    0.153653E+03  0.114459E-07 0.100000E-04    0.988583E+00
  58   -0.833376E-05    0.151039E+03  0.551761E-07 0.100000E-04    0.993586E+00
  59   -0.536342E-05    0.148682E+03  0.360731E-07 0.100000E-04    0.990659E+00
  60    0.883888E-05    0.142624E+03 -0.619734E-07 0.100000E-04    0.989994E+00
  61   -0.670052E-05    0.136915E+03  0.489391E-07 0.100000E-04    0.993307E+00
  62    0.197405E-04    0.134771E+03 -0.146474E-06 0.100000E-04    0.994543E+00
  63   -0.127160E-04    0.130999E+03  0.970701E-07 0.100000E-04    0.995213E+00
  64    0.291505E-05    0.127680E+03 -0.228310E-07 0.100000E-04    0.985285E+00
  65    0.124951E-05    0.125772E+03 -0.993469E-08 0.100000E-04    0.978772E+00
  66   -0.139067E-04    0.124680E+03  0.111539E-06 0.100000E-04    0.993773E+00
  67   -0.108460E-05    0.119428E+03  0.908163E-08 0.100000E-04    0.982022E+00
  68    0.381085E-05    0.117950E+03 -0.323090E-07 0.100000E-04    0.992421E+00
  69    0.126655E-06    0.116448E+03 -0.108765E-08 0.100000E-04    0.903201E+00
  70   -0.690903E-05    0.112534E+03  0.613952E-07 0.100000E-04    0.986259E+00
  71    0.167354E-06    0.110070E+03 -0.152042E-08 0.100000E-04    0.943941E+00
  72    0.173999E-04    0.105510E+03 -0.164912E-06 0.100000E-04    0.993146E+00
  73    0.673180E-05    0.102829E+03 -0.654660E-07 0.100000E-04    0.986354E+00
  74    0.200865E-04    0.100445E+03 -0.199975E-06 0.100000E-04    0.994726E+00
  75    0.135663E-04    0.972028E+02 -0.139567E-06 0.100000E-04    0.987553E+00
  76   -0.166550E-04    0.950561E+02  0.175212E-06 0.100000E-04    0.992122E+00
  77    0.685278E-06    0.912187E+02 -0.751248E-08 0.100000E-04    0.926020E+00
  78    0.310313E-04    0.906903E+02 -0.342168E-06 0.100000E-04    0.990707E+00
  79   -0.297598E-04    0.883347E+02  0.336899E-06 0.100000E-04    0.996851E+00
  80   -0.775040E-05    0.844866E+02  0.917352E-07 0.100000E-04    0.989709E+00
  81    0.918643E-05    0.808841E+02 -0.113575E-06 0.100000E-04    0.993124E+00
  82   -0.147362E-04    0.791417E+02  0.186200E-06 0.100000E-04    0.998113E+00
  83   -0.815099E-05    0.786757E+02  0.103602E-06 0.100000E-04    0.995409E+00
  84    0.115427E-04    0.729817E+02 -0.158158E-06 0.100000E-04    0.992469E+00
  85   -0.216971E-04    0.713801E+02  0.303966E-06 0.100000E-04    0.994765E+00
  86   -0.276632E-04    0.692649E+02  0.399383E-06 0.100000E-04    0.994395E+00
  87    0.477119E-05    0.677246E+02 -0.704499E-07 0.100000E-04    0.980982E+00
  88    0.254362E-06    0.634857E+02 -0.400660E-08 0.100000E-04    0.963299E+00
  89   -0.245741E-04    0.621511E+02  0.395393E-06 0.100000E-04    0.993953E+00
  90    0.115860E-04    0.596583E+02 -0.194207E-06 0.100000E-04    0.995753E+00
  91    0.721803E-06    0.586206E+02 -0.123131E-07 0.100000E-04    0.974375E+00
  92   -0.274327E-04    0.558258E+02  0.491398E-06 0.100000E-04    0.990281E+00
  93    0.329511E-04    0.536094E+02 -0.614652E-06 0.100000E-04    0.996960E+00
  94   -0.161024E-04    0.522858E+02  0.307968E-06 0.100000E-04    0.992870E+00
  95   -0.310982E-04    0.503033E+02  0.618214E-06 0.100000E-04    0.997279E+00
  96   -0.872514E-05    0.480070E+02  0.181747E-06 0.100000E-04    0.993507E+00
  97   -0.196269E-04    0.435830E+02  0.450333E-06 0.100000E-04    0.994738E+00
  98    0.141257E-04    0.398570E+02 -0.354408E-06 0.100000E-04    0.993488E+00
  99    0.290833E-04    0.373797E+02 -0.778050E-06 0.100000E-04    0.989263E+00
 100   -0.306770E-04    0.362014E+02  0.847399E-06 0.100000E-04    0.998044E+00
 101   -0.916369E-04    0.348653E+02  0.262831E-05 0.100000E-04    0.994668E+00
 102    0.382106E-04    0.294116E+02 -0.129917E-05 0.100000E-04    0.995243E+00
 103    0.298284E-04    0.289659E+02 -0.102977E-05 0.100000E-04    0.996299E+00
 104   -0.387051E-04    0.287208E+02  0.134763E-05 0.100000E-04    0.998301E+00
 105    0.198337E-04    0.233627E+02 -0.848947E-06 0.100000E-04    0.988912E+00
 106    0.255421E-05    0.219111E+02 -0.116572E-06 0.100000E-04    0.919294E+00
 107    0.923944E-04    0.195893E+02 -0.471657E-05 0.100000E-04    0.995301E+00
 108   -0.838686E-04    0.166706E+02  0.503094E-05 0.100000E-04    0.999840E+00
 109   -0.653791E-04    0.138447E+02  0.472232E-05 0.100000E-04    0.995648E+00
 110    0.612463E-04    0.125496E+02 -0.488034E-05 0.100000E-04    0.988790E+00
 111    0.109680E-03    0.113902E+02 -0.962934E-05 0.100000E-04    0.991550E+00
 112    0.204738E-04    0.944261E+01 -0.216823E-05 0.100000E-04    0.993969E+00
 113   -0.428491E-02    0.759939E+01  0.115570E-04 0.115570E-04    0.321183E+00
 114   -0.257033E+00    0.481427E+01 -0.400000E-03 0.400000E-03    0.151375E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5323844753E-01

 Beginning of optimization cycle  115.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3960475281
 potential> RMS force:                                               0.0242568590   |gradient|=.2589923814    
 Eigenvalues of the Hessian matrix:
   720.39125    670.87226    623.70633    603.59462    589.67188    564.38529 
   562.16539    478.36344    469.96585    463.21033    441.47578    431.55591 
   420.47578    405.84921    398.32075    388.44853    366.97339    363.80253 
   352.54120    342.95765    324.20778    322.63774    318.53763    316.92095 
   305.32238    287.36158    279.88413    271.43184    265.76644    262.23769 
   257.73168    253.41461    243.84231    239.29401    234.40243    228.53824 
   224.41693    212.72010    211.21981    209.68856    202.94469    198.50088 
   195.39406    191.62583    186.30294    177.95279    170.73188    168.09918 
   165.72978    160.55212    153.64877    151.03840    148.68850    142.62783 
   136.91600    134.77617    130.99756    127.67890    125.77545    124.68718 
   119.42813    117.94968    116.45149    112.52648    110.06194    105.50645 
   102.82934    100.44082     97.20124     95.05696     91.21248     90.69662 
    88.34636     84.48799     80.88406     79.14514     78.67380     72.97890 
    71.38318     69.25593     67.72779     63.48344     62.14455     59.65819 
    58.62373     55.82605     53.60707     52.28455     50.30334     48.00630 
    43.57844     39.85985     37.37238     36.20212     34.87252     29.40251 
    28.96458     28.72115     23.35760     21.91185     19.59008     16.67312 
    13.84336     12.54612     11.37996      9.44448      7.59994      4.81438 
overlap for current and previous eigenvector    109 is        -0.9999968481
overlap for current and previous eigenvector    110 is        -0.9999932026
overlap for current and previous eigenvector    111 is        -0.9999901953
overlap for current and previous eigenvector    112 is        -0.9999995058
overlap for current and previous eigenvector    113 is        -0.9999992241
overlap for current and previous eigenvector    114 is         0.9999993471
J1,K1,R1,R2,RAT=   7   7    -7.000381387         9.000216061         6.000381387    
FOB,PFOB,DIAG,PSTEP=   -0.1194656574E-07   -0.1493141521E-08     720.3912496        0.2072852716E-11
J1,K1,R1,R2,RAT=   8   8   -0.1902823370E-02     2.001851960        0.9980971766    
FOB,PFOB,DIAG,PSTEP=   -0.9304018579E-06   -0.9286347849E-06     670.8722614        0.1384255179E-08
J1,K1,R1,R2,RAT=   9   9    0.7779267840E-02     1.992152698        0.9921526977    
FOB,PFOB,DIAG,PSTEP=    0.6798394921E-06    0.6851697928E-06     623.7063342       -0.1098582880E-08
J1,K1,R1,R2,RAT=  10  10   -0.7301550119E-02     2.007253269        0.9926984499    
FOB,PFOB,DIAG,PSTEP=    0.1393917077E-05    0.1383812854E-05     603.5946155       -0.2292674960E-08
J1,K1,R1,R2,RAT=  11  11   -0.3060732351E-02     2.003062641        0.9969392676    
FOB,PFOB,DIAG,PSTEP=   -0.9674400042E-06   -0.9644879675E-06     589.6718780        0.1635633448E-08
J1,K1,R1,R2,RAT= 109 109     2.003901930       -0.3705103778E-02    0.9962948962    
FOB,PFOB,DIAG,PSTEP=    0.6562136037E-04   -0.6537914768E-04     13.84335677        0.4722316651E-05
J1,K1,R1,R2,RAT= 110 110     2.019894878       -0.1934024830E-01    0.9806597517    
FOB,PFOB,DIAG,PSTEP=   -0.6243053855E-04    0.6124634738E-04     12.54612264       -0.4880341864E-05
J1,K1,R1,R2,RAT= 111 111     2.005465610       -0.3672629242E-02    0.9963273708    
FOB,PFOB,DIAG,PSTEP=   -0.1100822628E-03    0.1096798103E-03     11.37996231       -0.9629343975E-05
J1,K1,R1,R2,RAT= 112 112     1.978579696        0.2102536949E-01    0.9785796961    
FOB,PFOB,DIAG,PSTEP=   -0.2004323131E-04    0.2047378523E-04     9.444475997       -0.2168233466E-05
J1,K1,R1,R2,RAT= 113 113     98.44239348       -0.8723446001        0.1276553999    
FOB,PFOB,DIAG,PSTEP=    0.4361526540E-02   -0.4284906409E-02     7.599939082        0.1155698907E-04
J1,K1,R1,R2,RAT= 114 114    0.9984678420        -267.9414470        0.1532158047E-02
FOB,PFOB,DIAG,PSTEP=   -0.2589555322       -0.2570327327         4.814375217       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000      0.00000      0.00001      0.00001      0.00001 
    -0.00001      0.00002     -0.00001      0.00000     -0.00000     -0.00001 
     0.00000     -0.00000     -0.00000     -0.00001     -0.00000     -0.00002 
     0.00001      0.00002      0.00001     -0.00002      0.00000      0.00003 
    -0.00003      0.00001     -0.00001     -0.00001      0.00001      0.00001 
    -0.00002     -0.00003     -0.00000     -0.00000     -0.00002      0.00001 
     0.00000     -0.00003      0.00003     -0.00002      0.00003      0.00001 
    -0.00002      0.00001      0.00003      0.00003      0.00009     -0.00004 
     0.00003      0.00004     -0.00002     -0.00000     -0.00009      0.00008 
     0.00007     -0.00006     -0.00011     -0.00002      0.00436     -0.25896 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4378662229
 Log product of positive Hessian eigenvalues =          520.4122335674
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8143752167
 Unscaled step for mode    7=        0.0000000000
 Unscaled step for mode    8=        0.0000000014
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000051
 Unscaled step for mode   13=       -0.0000000031
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000030
 Unscaled step for mode   17=       -0.0000000029
 Unscaled step for mode   18=       -0.0000000076
 Unscaled step for mode   19=       -0.0000000163
 Unscaled step for mode   20=       -0.0000000197
 Unscaled step for mode   21=       -0.0000000119
 Unscaled step for mode   22=        0.0000000001
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000236
 Unscaled step for mode   26=        0.0000000371
 Unscaled step for mode   27=        0.0000000208
 Unscaled step for mode   28=        0.0000000161
 Unscaled step for mode   29=        0.0000000243
 Unscaled step for mode   30=        0.0000000203
 Unscaled step for mode   31=        0.0000000071
 Unscaled step for mode   32=        0.0000000014
 Unscaled step for mode   33=       -0.0000000155
 Unscaled step for mode   34=       -0.0000000074
 Unscaled step for mode   35=       -0.0000000478
 Unscaled step for mode   36=       -0.0000000091
 Unscaled step for mode   37=        0.0000000217
 Unscaled step for mode   38=        0.0000000115
 Unscaled step for mode   39=        0.0000000382
 Unscaled step for mode   40=       -0.0000000193
 Unscaled step for mode   41=       -0.0000000244
 Unscaled step for mode   42=        0.0000000111
 Unscaled step for mode   43=       -0.0000000093
 Unscaled step for mode   44=        0.0000000131
 Unscaled step for mode   45=       -0.0000000171
 Unscaled step for mode   46=       -0.0000000268
 Unscaled step for mode   47=        0.0000000667
 Unscaled step for mode   48=        0.0000000040
 Unscaled step for mode   49=       -0.0000000377
 Unscaled step for mode   50=       -0.0000000283
 Unscaled step for mode   51=        0.0000000283
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=        0.0000000322
 Unscaled step for mode   54=        0.0000000167
 Unscaled step for mode   55=        0.0000000641
 Unscaled step for mode   56=        0.0000000239
 Unscaled step for mode   57=       -0.0000000115
 Unscaled step for mode   58=       -0.0000000556
 Unscaled step for mode   59=       -0.0000000362
 Unscaled step for mode   60=       -0.0000000622
 Unscaled step for mode   61=        0.0000000494
 Unscaled step for mode   62=       -0.0000001473
 Unscaled step for mode   63=        0.0000000978
 Unscaled step for mode   64=       -0.0000000231
 Unscaled step for mode   65=        0.0000000099
 Unscaled step for mode   66=        0.0000001124
 Unscaled step for mode   67=       -0.0000000091
 Unscaled step for mode   68=        0.0000000326
 Unscaled step for mode   69=        0.0000000009
 Unscaled step for mode   70=        0.0000000619
 Unscaled step for mode   71=        0.0000000017
 Unscaled step for mode   72=        0.0000001666
 Unscaled step for mode   73=       -0.0000000663
 Unscaled step for mode   74=       -0.0000002014
 Unscaled step for mode   75=       -0.0000001409
 Unscaled step for mode   76=        0.0000001765
 Unscaled step for mode   77=       -0.0000000076
 Unscaled step for mode   78=       -0.0000003445
 Unscaled step for mode   79=        0.0000003382
 Unscaled step for mode   80=       -0.0000000925
 Unscaled step for mode   81=        0.0000001145
 Unscaled step for mode   82=        0.0000001869
 Unscaled step for mode   83=       -0.0000001034
 Unscaled step for mode   84=       -0.0000001600
 Unscaled step for mode   85=        0.0000003063
 Unscaled step for mode   86=        0.0000004017
 Unscaled step for mode   87=        0.0000000697
 Unscaled step for mode   88=        0.0000000050
 Unscaled step for mode   89=        0.0000003984
 Unscaled step for mode   90=       -0.0000001964
 Unscaled step for mode   91=       -0.0000000120
 Unscaled step for mode   92=        0.0000004952
 Unscaled step for mode   93=       -0.0000006179
 Unscaled step for mode   94=        0.0000003115
 Unscaled step for mode   95=       -0.0000006208
 Unscaled step for mode   96=       -0.0000001820
 Unscaled step for mode   97=        0.0000004541
 Unscaled step for mode   98=       -0.0000003567
 Unscaled step for mode   99=       -0.0000007914
 Unscaled step for mode  100=       -0.0000008506
 Unscaled step for mode  101=       -0.0000026421
 Unscaled step for mode  102=        0.0000013137
 Unscaled step for mode  103=       -0.0000010349
 Unscaled step for mode  104=       -0.0000013559
 Unscaled step for mode  105=        0.0000008568
 Unscaled step for mode  106=        0.0000001250
 Unscaled step for mode  107=        0.0000047505
 Unscaled step for mode  108=       -0.0000050221
 Unscaled step for mode  109=       -0.0000047403
 Unscaled step for mode  110=        0.0000049761
 Unscaled step for mode  111=        0.0000096733
 Unscaled step for mode  112=        0.0000021222
 Unscaled step for mode  113=       -0.0005738895
 Unscaled step for mode  114=       -0.0536332604
 Largest modulus ratio of non-zero e/values=           149.6333828    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.216190E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.770868E-16    0.100764E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.113953E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.464039E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.252728E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.123756E-14    0.973540E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.119466E-07    0.720391E+03  0.165834E-10 0.100000E-04    0.600038E+01
   8   -0.930402E-06    0.670872E+03  0.138685E-08 0.100000E-04    0.998097E+00
   9    0.679839E-06    0.623706E+03 -0.109000E-08 0.100000E-04    0.992153E+00
  10    0.139392E-05    0.603595E+03 -0.230936E-08 0.100000E-04    0.992698E+00
  11   -0.967440E-06    0.589672E+03  0.164064E-08 0.100000E-04    0.996939E+00
  12    0.285667E-05    0.564385E+03 -0.506156E-08 0.100000E-04    0.998937E+00
  13    0.175305E-05    0.562165E+03 -0.311839E-08 0.100000E-04    0.997697E+00
  14   -0.556514E-05    0.478363E+03  0.116337E-07 0.100000E-04    0.997821E+00
  15    0.168319E-05    0.469966E+03 -0.358151E-08 0.100000E-04    0.995643E+00
  16    0.140939E-05    0.463210E+03 -0.304265E-08 0.100000E-04    0.983802E+00
  17    0.126650E-05    0.441476E+03 -0.286880E-08 0.100000E-04    0.980164E+00
  18    0.327987E-05    0.431556E+03 -0.760010E-08 0.100000E-04    0.997207E+00
  19    0.686211E-05    0.420476E+03 -0.163199E-07 0.100000E-04    0.993123E+00
  20    0.800279E-05    0.405849E+03 -0.197186E-07 0.100000E-04    0.996250E+00
  21    0.474186E-05    0.398321E+03 -0.119046E-07 0.100000E-04    0.993262E+00
  22   -0.568118E-07    0.388449E+03  0.146253E-09 0.100000E-04    0.713132E+00
  23   -0.189821E-05    0.366973E+03  0.517261E-08 0.100000E-04    0.998529E+00
  24    0.189421E-05    0.363803E+03 -0.520669E-08 0.100000E-04    0.999345E+00
  25   -0.833569E-05    0.352541E+03  0.236446E-07 0.100000E-04    0.993709E+00
  26   -0.127354E-04    0.342958E+03  0.371340E-07 0.100000E-04    0.992224E+00
  27   -0.674742E-05    0.324208E+03  0.208120E-07 0.100000E-04    0.994836E+00
  28   -0.520410E-05    0.322638E+03  0.161299E-07 0.100000E-04    0.995547E+00
  29   -0.772739E-05    0.318538E+03  0.242589E-07 0.100000E-04    0.995926E+00
  30   -0.643174E-05    0.316921E+03  0.202944E-07 0.100000E-04    0.983015E+00
  31   -0.217368E-05    0.305322E+03  0.711928E-08 0.100000E-04    0.991050E+00
  32   -0.394638E-06    0.287362E+03  0.137332E-08 0.100000E-04    0.944062E+00
  33    0.434140E-05    0.279884E+03 -0.155114E-07 0.100000E-04    0.991784E+00
  34    0.201485E-05    0.271432E+03 -0.742304E-08 0.100000E-04    0.985150E+00
  35    0.126950E-04    0.265766E+03 -0.477673E-07 0.100000E-04    0.994137E+00
  36    0.237436E-05    0.262238E+03 -0.905421E-08 0.100000E-04    0.982953E+00
  37   -0.560101E-05    0.257732E+03  0.217319E-07 0.100000E-04    0.992351E+00
  38   -0.292336E-05    0.253415E+03  0.115359E-07 0.100000E-04    0.998071E+00
  39   -0.932190E-05    0.243842E+03  0.382292E-07 0.100000E-04    0.992580E+00
  40    0.462117E-05    0.239294E+03 -0.193117E-07 0.100000E-04    0.987035E+00
  41    0.572317E-05    0.234402E+03 -0.244160E-07 0.100000E-04    0.986079E+00
  42   -0.254643E-05    0.228538E+03  0.111423E-07 0.100000E-04    0.989545E+00
  43    0.209733E-05    0.224417E+03 -0.934569E-08 0.100000E-04    0.993020E+00
  44   -0.278326E-05    0.212720E+03  0.130841E-07 0.100000E-04    0.987891E+00
  45    0.360392E-05    0.211220E+03 -0.170624E-07 0.100000E-04    0.997250E+00
  46    0.562488E-05    0.209689E+03 -0.268249E-07 0.100000E-04    0.991155E+00
  47   -0.135424E-04    0.202945E+03  0.667295E-07 0.100000E-04    0.993370E+00
  48   -0.794257E-06    0.198501E+03  0.400128E-08 0.100000E-04    0.983666E+00
  49    0.736362E-05    0.195394E+03 -0.376860E-07 0.100000E-04    0.991956E+00
  50    0.543189E-05    0.191626E+03 -0.283463E-07 0.100000E-04    0.990452E+00
  51   -0.526610E-05    0.186303E+03  0.282663E-07 0.100000E-04    0.994797E+00
  52    0.388940E-06    0.177953E+03 -0.218563E-08 0.100000E-04    0.993156E+00
  53   -0.550112E-05    0.170732E+03  0.322208E-07 0.100000E-04    0.995949E+00
  54   -0.280833E-05    0.168099E+03  0.167064E-07 0.100000E-04    0.989319E+00
  55   -0.106297E-04    0.165730E+03  0.641387E-07 0.100000E-04    0.994267E+00
  56   -0.383779E-05    0.160552E+03  0.239037E-07 0.100000E-04    0.991062E+00
  57    0.176557E-05    0.153649E+03 -0.114910E-07 0.100000E-04    0.996088E+00
  58    0.840037E-05    0.151038E+03 -0.556174E-07 0.100000E-04    0.992007E+00
  59    0.537697E-05    0.148688E+03 -0.361626E-07 0.100000E-04    0.997475E+00
  60    0.887783E-05    0.142628E+03 -0.622447E-07 0.100000E-04    0.995593E+00
  61   -0.676656E-05    0.136916E+03  0.494213E-07 0.100000E-04    0.990145E+00
  62    0.198576E-04    0.134776E+03 -0.147338E-06 0.100000E-04    0.994064E+00
  63   -0.128159E-04    0.130998E+03  0.978332E-07 0.100000E-04    0.992146E+00
  64    0.294950E-05    0.127679E+03 -0.231010E-07 0.100000E-04    0.988182E+00
  65   -0.124480E-05    0.125775E+03  0.989701E-08 0.100000E-04    0.996180E+00
  66   -0.140133E-04    0.124687E+03  0.112387E-06 0.100000E-04    0.992340E+00
  67    0.108160E-05    0.119428E+03 -0.905646E-08 0.100000E-04    0.997225E+00
  68   -0.384345E-05    0.117950E+03  0.325855E-07 0.100000E-04    0.991447E+00
  69   -0.101350E-06    0.116451E+03  0.870318E-09 0.100000E-04    0.800146E+00
  70   -0.697049E-05    0.112526E+03  0.619453E-07 0.100000E-04    0.991104E+00
  71   -0.185287E-06    0.110062E+03  0.168348E-08 0.100000E-04    0.892830E+00
  72   -0.175734E-04    0.105506E+03  0.166563E-06 0.100000E-04    0.990029E+00
  73    0.681281E-05    0.102829E+03 -0.662536E-07 0.100000E-04    0.987966E+00
  74    0.202274E-04    0.100441E+03 -0.201386E-06 0.100000E-04    0.992986E+00
  75    0.136974E-04    0.972012E+02 -0.140918E-06 0.100000E-04    0.990335E+00
  76   -0.167764E-04    0.950570E+02  0.176488E-06 0.100000E-04    0.992713E+00
  77    0.691204E-06    0.912125E+02 -0.757796E-08 0.100000E-04    0.991352E+00
  78    0.312424E-04    0.906966E+02 -0.344472E-06 0.100000E-04    0.993195E+00
  79   -0.298747E-04    0.883464E+02  0.338154E-06 0.100000E-04    0.996141E+00
  80    0.781802E-05    0.844880E+02 -0.925341E-07 0.100000E-04    0.991275E+00
  81   -0.926232E-05    0.808841E+02  0.114514E-06 0.100000E-04    0.991739E+00
  82   -0.147910E-04    0.791451E+02  0.186884E-06 0.100000E-04    0.996279E+00
  83    0.813673E-05    0.786738E+02 -0.103424E-06 0.100000E-04    0.998250E+00
  84    0.116755E-04    0.729789E+02 -0.159984E-06 0.100000E-04    0.988493E+00
  85   -0.218682E-04    0.713832E+02  0.306349E-06 0.100000E-04    0.992116E+00
  86   -0.278228E-04    0.692559E+02  0.401740E-06 0.100000E-04    0.994228E+00
  87   -0.471993E-05    0.677278E+02  0.696898E-07 0.100000E-04    0.989163E+00
  88   -0.316494E-06    0.634834E+02  0.498546E-08 0.100000E-04    0.755725E+00
  89   -0.247561E-04    0.621445E+02  0.398364E-06 0.100000E-04    0.992593E+00
  90    0.117145E-04    0.596582E+02 -0.196360E-06 0.100000E-04    0.988914E+00
  91    0.703498E-06    0.586237E+02 -0.120002E-07 0.100000E-04    0.974536E+00
  92   -0.276426E-04    0.558260E+02  0.495156E-06 0.100000E-04    0.992347E+00
  93    0.331236E-04    0.536071E+02 -0.617895E-06 0.100000E-04    0.994767E+00
  94   -0.162884E-04    0.522845E+02  0.311533E-06 0.100000E-04    0.988447E+00
  95    0.312305E-04    0.503033E+02 -0.620843E-06 0.100000E-04    0.995748E+00
  96    0.873940E-05    0.480063E+02 -0.182047E-06 0.100000E-04    0.998366E+00
  97   -0.197910E-04    0.435784E+02  0.454146E-06 0.100000E-04    0.991637E+00
  98    0.142166E-04    0.398599E+02 -0.356664E-06 0.100000E-04    0.993563E+00
  99    0.295775E-04    0.373724E+02 -0.791426E-06 0.100000E-04    0.983005E+00
 100    0.307935E-04    0.362021E+02 -0.850599E-06 0.100000E-04    0.996202E+00
 101    0.921379E-04    0.348725E+02 -0.264213E-05 0.100000E-04    0.994535E+00
 102   -0.386262E-04    0.294025E+02  0.131370E-05 0.100000E-04    0.989122E+00
 103    0.299756E-04    0.289646E+02 -0.103490E-05 0.100000E-04    0.995065E+00
 104    0.389418E-04    0.287212E+02 -0.135586E-05 0.100000E-04    0.993883E+00
 105   -0.200117E-04    0.233576E+02  0.856753E-06 0.100000E-04    0.991022E+00
 106   -0.273877E-05    0.219119E+02  0.124990E-06 0.100000E-04    0.927747E+00
 107   -0.930630E-04    0.195901E+02  0.475052E-05 0.100000E-04    0.992764E+00
 108    0.837335E-04    0.166731E+02 -0.502207E-05 0.100000E-04    0.998083E+00
 109    0.656214E-04    0.138434E+02 -0.474028E-05 0.100000E-04    0.996295E+00
 110   -0.624305E-04    0.125461E+02  0.497608E-05 0.100000E-04    0.980660E+00
 111   -0.110082E-03    0.113800E+02  0.967334E-05 0.100000E-04    0.996327E+00
 112   -0.200432E-04    0.944448E+01  0.212222E-05 0.100000E-04    0.978580E+00
 113    0.436153E-02    0.759994E+01 -0.125971E-04 0.125971E-04    0.127655E+00
 114   -0.258956E+00    0.481438E+01 -0.400000E-03 0.400000E-03    0.153216E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5363326041E-01

 Beginning of optimization cycle  116.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3959436167
 potential> RMS force:                                               0.0244370297   |gradient|=.2609160783    
 Eigenvalues of the Hessian matrix:
   720.45076    670.88920    623.72742    603.60917    589.67113    564.40617 
   562.20400    478.37994    469.94330    463.19913    441.47326    431.54565 
   420.48362    405.86006    398.31704    388.45281    366.97508    363.79213 
   352.53180    342.91796    324.21348    322.61755    318.52746    316.93549 
   305.32004    287.36394    279.88014    271.42533    265.76641    262.24598 
   257.73506    253.41614    243.82909    239.28224    234.41352    228.54087 
   224.39828    212.71778    211.22435    209.67787    202.94721    198.49622 
   195.39679    191.62527    186.29663    177.93802    170.73426    168.09726 
   165.72851    160.54844    153.64438    151.03758    148.69506    142.63186 
   136.91649    134.78098    130.99658    127.67830    125.77893    124.69419 
   119.42858    117.94930    116.45523    112.51917    110.05337    105.50256 
   102.82975    100.43647     97.19965     95.05783     91.20628     90.70298 
    88.35803     84.48936     80.88402     79.14861     78.67184     72.97607 
    71.38627     69.24692     67.73094     63.48121     62.13789     59.65807 
    58.62681     55.82631     53.60466     52.28330     50.30332     48.00552 
    43.57389     39.86267     37.36505     36.20275     34.87972     29.39347 
    28.96321     28.72151     23.35256     21.91265     19.59085     16.67564 
    13.84201     12.54268     11.36968      9.44634      7.60046      4.81444 
overlap for current and previous eigenvector    109 is         0.9999968881
overlap for current and previous eigenvector    110 is         0.9999933221
overlap for current and previous eigenvector    111 is         0.9999903143
overlap for current and previous eigenvector    112 is         0.9999994993
overlap for current and previous eigenvector    113 is         0.9999992220
overlap for current and previous eigenvector    114 is         0.9999993512
J1,K1,R1,R2,RAT=   7   7   -0.5710189489         2.570853753        0.4289810511    
FOB,PFOB,DIAG,PSTEP=   -0.1876884466E-07   -0.1194656574E-07     720.4507573        0.1658344094E-10
J1,K1,R1,R2,RAT=   8   8   -0.2575448154E-01     2.025703996        0.9742455185    
FOB,PFOB,DIAG,PSTEP=   -0.9543644802E-06   -0.9304018579E-06     670.8891966        0.1386853968E-08
J1,K1,R1,R2,RAT=   9   9   -0.1319310927E-01     2.013125506        0.9868068907    
FOB,PFOB,DIAG,PSTEP=    0.6888089920E-06    0.6798394921E-06     623.7274173       -0.1089999339E-08
J1,K1,R1,R2,RAT=  10  10    0.1434422145E-02     1.998517346        0.9985173456    
FOB,PFOB,DIAG,PSTEP=    0.1391917563E-05    0.1393917077E-05     603.6091722       -0.2309359695E-08
J1,K1,R1,R2,RAT=  11  11    0.2311159598E-03     1.999771405        0.9997688840    
FOB,PFOB,DIAG,PSTEP=   -0.9672164136E-06   -0.9674400042E-06     589.6711347        0.1640641245E-08
J1,K1,R1,R2,RAT= 109 109   -0.3937563720E-02     2.004132691        0.9960624363    
FOB,PFOB,DIAG,PSTEP=    0.6587972345E-04    0.6562136037E-04     13.84200629       -0.4740278061E-05
J1,K1,R1,R2,RAT= 110 110   -0.1148594108E-01     2.012034148        0.9885140589    
FOB,PFOB,DIAG,PSTEP=   -0.6314741554E-04   -0.6243053855E-04     12.54268465        0.4976082279E-05
J1,K1,R1,R2,RAT= 111 111   -0.7764242721E-02     2.009572203        0.9922357573    
FOB,PFOB,DIAG,PSTEP=   -0.1109361963E-03   -0.1100822628E-03     11.36968434        0.9673341598E-05
J1,K1,R1,R2,RAT= 112 112    0.6218275281E-02     1.993386413        0.9933864126    
FOB,PFOB,DIAG,PSTEP=   -0.1991857234E-04   -0.2004323131E-04     9.446343124        0.2122217401E-05
J1,K1,R1,R2,RAT= 113 113   -0.7199526217         91.82820098        0.2800473783    
FOB,PFOB,DIAG,PSTEP=    0.4430457565E-02    0.4361526540E-02     7.600455452       -0.1259711808E-04
J1,K1,R1,R2,RAT= 114 114    0.9984569259        -269.9345613        0.1543074137E-02
FOB,PFOB,DIAG,PSTEP=   -0.2608783380       -0.2589555322         4.814443430       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000      0.00000      0.00001      0.00001      0.00001 
     0.00001     -0.00002      0.00001      0.00000     -0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00001     -0.00000     -0.00002 
    -0.00001      0.00002      0.00001      0.00002      0.00000      0.00003 
    -0.00003      0.00001      0.00001      0.00001     -0.00001      0.00001 
    -0.00002     -0.00003      0.00000     -0.00000     -0.00002     -0.00001 
     0.00000     -0.00003      0.00003     -0.00002      0.00003     -0.00001 
     0.00002      0.00001      0.00003      0.00003      0.00009     -0.00004 
     0.00003      0.00004     -0.00002     -0.00000     -0.00009      0.00008 
     0.00007     -0.00006     -0.00011     -0.00002      0.00443     -0.26088 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4379027681
 Log product of positive Hessian eigenvalues =          520.4105266414
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8144434304
 Unscaled step for mode    7=        0.0000000000
 Unscaled step for mode    8=        0.0000000014
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000051
 Unscaled step for mode   13=       -0.0000000031
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000031
 Unscaled step for mode   17=       -0.0000000029
 Unscaled step for mode   18=       -0.0000000076
 Unscaled step for mode   19=       -0.0000000164
 Unscaled step for mode   20=       -0.0000000198
 Unscaled step for mode   21=       -0.0000000120
 Unscaled step for mode   22=        0.0000000001
 Unscaled step for mode   23=        0.0000000052
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000238
 Unscaled step for mode   26=        0.0000000374
 Unscaled step for mode   27=        0.0000000210
 Unscaled step for mode   28=        0.0000000161
 Unscaled step for mode   29=        0.0000000244
 Unscaled step for mode   30=        0.0000000206
 Unscaled step for mode   31=        0.0000000072
 Unscaled step for mode   32=        0.0000000014
 Unscaled step for mode   33=       -0.0000000156
 Unscaled step for mode   34=       -0.0000000075
 Unscaled step for mode   35=       -0.0000000481
 Unscaled step for mode   36=       -0.0000000092
 Unscaled step for mode   37=        0.0000000219
 Unscaled step for mode   38=        0.0000000116
 Unscaled step for mode   39=        0.0000000385
 Unscaled step for mode   40=       -0.0000000196
 Unscaled step for mode   41=       -0.0000000247
 Unscaled step for mode   42=        0.0000000113
 Unscaled step for mode   43=       -0.0000000095
 Unscaled step for mode   44=        0.0000000135
 Unscaled step for mode   45=       -0.0000000171
 Unscaled step for mode   46=       -0.0000000272
 Unscaled step for mode   47=        0.0000000673
 Unscaled step for mode   48=        0.0000000039
 Unscaled step for mode   49=       -0.0000000381
 Unscaled step for mode   50=       -0.0000000284
 Unscaled step for mode   51=        0.0000000285
 Unscaled step for mode   52=       -0.0000000022
 Unscaled step for mode   53=        0.0000000325
 Unscaled step for mode   54=        0.0000000170
 Unscaled step for mode   55=        0.0000000646
 Unscaled step for mode   56=        0.0000000240
 Unscaled step for mode   57=       -0.0000000116
 Unscaled step for mode   58=       -0.0000000560
 Unscaled step for mode   59=       -0.0000000365
 Unscaled step for mode   60=       -0.0000000629
 Unscaled step for mode   61=       -0.0000000498
 Unscaled step for mode   62=        0.0000001481
 Unscaled step for mode   63=       -0.0000000983
 Unscaled step for mode   64=       -0.0000000235
 Unscaled step for mode   65=        0.0000000097
 Unscaled step for mode   66=       -0.0000001131
 Unscaled step for mode   67=        0.0000000092
 Unscaled step for mode   68=        0.0000000328
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000628
 Unscaled step for mode   71=        0.0000000018
 Unscaled step for mode   72=        0.0000001677
 Unscaled step for mode   73=        0.0000000671
 Unscaled step for mode   74=       -0.0000002024
 Unscaled step for mode   75=       -0.0000001427
 Unscaled step for mode   76=       -0.0000001779
 Unscaled step for mode   77=       -0.0000000081
 Unscaled step for mode   78=       -0.0000003476
 Unscaled step for mode   79=        0.0000003391
 Unscaled step for mode   80=       -0.0000000935
 Unscaled step for mode   81=       -0.0000001153
 Unscaled step for mode   82=       -0.0000001872
 Unscaled step for mode   83=        0.0000001039
 Unscaled step for mode   84=       -0.0000001612
 Unscaled step for mode   85=        0.0000003079
 Unscaled step for mode   86=        0.0000004040
 Unscaled step for mode   87=       -0.0000000682
 Unscaled step for mode   88=        0.0000000051
 Unscaled step for mode   89=        0.0000004008
 Unscaled step for mode   90=        0.0000001972
 Unscaled step for mode   91=       -0.0000000117
 Unscaled step for mode   92=        0.0000004999
 Unscaled step for mode   93=       -0.0000006197
 Unscaled step for mode   94=        0.0000003137
 Unscaled step for mode   95=       -0.0000006224
 Unscaled step for mode   96=        0.0000001832
 Unscaled step for mode   97=       -0.0000004566
 Unscaled step for mode   98=       -0.0000003589
 Unscaled step for mode   99=       -0.0000008002
 Unscaled step for mode  100=       -0.0000008519
 Unscaled step for mode  101=       -0.0000026554
 Unscaled step for mode  102=        0.0000013203
 Unscaled step for mode  103=       -0.0000010386
 Unscaled step for mode  104=       -0.0000013580
 Unscaled step for mode  105=        0.0000008667
 Unscaled step for mode  106=        0.0000001146
 Unscaled step for mode  107=        0.0000047730
 Unscaled step for mode  108=       -0.0000050204
 Unscaled step for mode  109=       -0.0000047594
 Unscaled step for mode  110=        0.0000050346
 Unscaled step for mode  111=        0.0000097572
 Unscaled step for mode  112=        0.0000021086
 Unscaled step for mode  113=       -0.0005829198
 Unscaled step for mode  114=       -0.0540284291
 Largest modulus ratio of non-zero e/values=           149.6436229    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.304878E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.108095E-15    0.100764E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.246060E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.777156E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.111062E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.246900E-15    0.973541E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.187688E-07    0.720451E+03  0.260515E-10 0.100000E-04    0.428981E+00
   8   -0.954364E-06    0.670889E+03  0.142254E-08 0.100000E-04    0.974246E+00
   9    0.688809E-06    0.623727E+03 -0.110434E-08 0.100000E-04    0.986807E+00
  10    0.139192E-05    0.603609E+03 -0.230599E-08 0.100000E-04    0.998517E+00
  11   -0.967216E-06    0.589671E+03  0.164026E-08 0.100000E-04    0.999769E+00
  12    0.287224E-05    0.564406E+03 -0.508897E-08 0.100000E-04    0.994547E+00
  13    0.173027E-05    0.562204E+03 -0.307765E-08 0.100000E-04    0.986866E+00
  14   -0.557083E-05    0.478380E+03  0.116452E-07 0.100000E-04    0.998976E+00
  15    0.169408E-05    0.469943E+03 -0.360487E-08 0.100000E-04    0.993527E+00
  16    0.142000E-05    0.463199E+03 -0.306563E-08 0.100000E-04    0.992473E+00
  17    0.127233E-05    0.441473E+03 -0.288201E-08 0.100000E-04    0.995399E+00
  18    0.329852E-05    0.431546E+03 -0.764349E-08 0.100000E-04    0.994315E+00
  19    0.690337E-05    0.420484E+03 -0.164177E-07 0.100000E-04    0.993987E+00
  20    0.801841E-05    0.405860E+03 -0.197566E-07 0.100000E-04    0.998048E+00
  21    0.476651E-05    0.398317E+03 -0.119666E-07 0.100000E-04    0.994802E+00
  22   -0.393751E-07    0.388453E+03  0.101364E-09 0.100000E-04    0.693062E+00
  23   -0.189179E-05    0.366975E+03  0.515509E-08 0.100000E-04    0.996609E+00
  24    0.189431E-05    0.363792E+03 -0.520713E-08 0.100000E-04    0.999945E+00
  25   -0.839233E-05    0.352532E+03  0.238059E-07 0.100000E-04    0.993205E+00
  26   -0.128319E-04    0.342918E+03  0.374197E-07 0.100000E-04    0.992424E+00
  27   -0.679259E-05    0.324213E+03  0.209510E-07 0.100000E-04    0.993306E+00
  28   -0.518631E-05    0.322618E+03  0.160757E-07 0.100000E-04    0.996581E+00
  29   -0.778367E-05    0.318527E+03  0.244364E-07 0.100000E-04    0.992717E+00
  30   -0.653998E-05    0.316935E+03  0.206351E-07 0.100000E-04    0.983171E+00
  31   -0.221243E-05    0.305320E+03  0.724626E-08 0.100000E-04    0.982171E+00
  32   -0.408332E-06    0.287364E+03  0.142096E-08 0.100000E-04    0.965302E+00
  33    0.436741E-05    0.279880E+03 -0.156046E-07 0.100000E-04    0.994009E+00
  34    0.202453E-05    0.271425E+03 -0.745889E-08 0.100000E-04    0.995195E+00
  35    0.127900E-04    0.265766E+03 -0.481251E-07 0.100000E-04    0.992510E+00
  36    0.240502E-05    0.262246E+03 -0.917087E-08 0.100000E-04    0.987084E+00
  37   -0.564957E-05    0.257735E+03  0.219201E-07 0.100000E-04    0.991331E+00
  38   -0.294611E-05    0.253416E+03  0.116256E-07 0.100000E-04    0.992219E+00
  39   -0.938071E-05    0.243829E+03  0.384725E-07 0.100000E-04    0.993690E+00
  40    0.469420E-05    0.239282E+03 -0.196178E-07 0.100000E-04    0.984196E+00
  41    0.579991E-05    0.234414E+03 -0.247422E-07 0.100000E-04    0.986592E+00
  42   -0.257673E-05    0.228541E+03  0.112747E-07 0.100000E-04    0.988102E+00
  43    0.212899E-05    0.224398E+03 -0.948756E-08 0.100000E-04    0.984903E+00
  44   -0.286966E-05    0.212718E+03  0.134904E-07 0.100000E-04    0.968958E+00
  45    0.361105E-05    0.211224E+03 -0.170958E-07 0.100000E-04    0.998024E+00
  46    0.570608E-05    0.209678E+03 -0.272135E-07 0.100000E-04    0.985564E+00
  47   -0.136632E-04    0.202947E+03  0.673240E-07 0.100000E-04    0.991079E+00
  48   -0.780076E-06    0.198496E+03  0.392993E-08 0.100000E-04    0.982145E+00
  49    0.744103E-05    0.195397E+03 -0.380817E-07 0.100000E-04    0.989487E+00
  50    0.544996E-05    0.191625E+03 -0.284407E-07 0.100000E-04    0.996674E+00
  51   -0.531687E-05    0.186297E+03  0.285398E-07 0.100000E-04    0.990359E+00
  52    0.384201E-06    0.177938E+03 -0.215918E-08 0.100000E-04    0.987815E+00
  53   -0.554091E-05    0.170734E+03  0.324534E-07 0.100000E-04    0.992767E+00
  54   -0.285475E-05    0.168097E+03  0.169827E-07 0.100000E-04    0.983468E+00
  55   -0.107043E-04    0.165729E+03  0.645895E-07 0.100000E-04    0.992979E+00
  56   -0.385006E-05    0.160548E+03  0.239807E-07 0.100000E-04    0.996802E+00
  57    0.178665E-05    0.153644E+03 -0.116285E-07 0.100000E-04    0.988060E+00
  58    0.845349E-05    0.151038E+03 -0.559694E-07 0.100000E-04    0.993677E+00
  59    0.542659E-05    0.148695E+03 -0.364948E-07 0.100000E-04    0.990771E+00
  60    0.896616E-05    0.142632E+03 -0.628622E-07 0.100000E-04    0.990051E+00
  61    0.681224E-05    0.136916E+03 -0.497547E-07 0.100000E-04    0.993249E+00
  62   -0.199640E-04    0.134781E+03  0.148122E-06 0.100000E-04    0.994645E+00
  63    0.128769E-04    0.130997E+03 -0.982994E-07 0.100000E-04    0.995243E+00
  64    0.299441E-05    0.127678E+03 -0.234527E-07 0.100000E-04    0.984777E+00
  65   -0.121735E-05    0.125779E+03  0.967848E-08 0.100000E-04    0.977891E+00
  66    0.140987E-04    0.124694E+03 -0.113066E-06 0.100000E-04    0.993906E+00
  67   -0.109996E-05    0.119429E+03  0.921019E-08 0.100000E-04    0.983021E+00
  68   -0.387218E-05    0.117949E+03  0.328292E-07 0.100000E-04    0.992524E+00
  69    0.869404E-07    0.116455E+03 -0.746556E-09 0.100000E-04    0.857766E+00
  70    0.706346E-05    0.112519E+03 -0.627756E-07 0.100000E-04    0.986661E+00
  71   -0.194250E-06    0.110053E+03  0.176505E-08 0.100000E-04    0.951624E+00
  72   -0.176926E-04    0.105503E+03  0.167699E-06 0.100000E-04    0.993216E+00
  73   -0.690404E-05    0.102830E+03  0.671404E-07 0.100000E-04    0.986610E+00
  74    0.203316E-04    0.100436E+03 -0.202433E-06 0.100000E-04    0.994847E+00
  75    0.138661E-04    0.971997E+02 -0.142656E-06 0.100000E-04    0.987679E+00
  76    0.169061E-04    0.950578E+02 -0.177851E-06 0.100000E-04    0.992267E+00
  77    0.741564E-06    0.912063E+02 -0.813062E-08 0.100000E-04    0.927137E+00
  78    0.315302E-04    0.907030E+02 -0.347621E-06 0.100000E-04    0.990790E+00
  79   -0.299617E-04    0.883580E+02  0.339095E-06 0.100000E-04    0.997087E+00
  80    0.789852E-05    0.844894E+02 -0.934854E-07 0.100000E-04    0.989704E+00
  81    0.932431E-05    0.808840E+02 -0.115280E-06 0.100000E-04    0.993307E+00
  82    0.148151E-04    0.791486E+02 -0.187181E-06 0.100000E-04    0.998368E+00
  83   -0.817652E-05    0.786718E+02  0.103932E-06 0.100000E-04    0.995109E+00
  84    0.117628E-04    0.729761E+02 -0.161188E-06 0.100000E-04    0.992515E+00
  85   -0.219817E-04    0.713863E+02  0.307926E-06 0.100000E-04    0.994810E+00
  86   -0.279770E-04    0.692469E+02  0.404018E-06 0.100000E-04    0.994459E+00
  87    0.462146E-05    0.677309E+02 -0.682326E-07 0.100000E-04    0.979044E+00
  88   -0.325366E-06    0.634812E+02  0.512539E-08 0.100000E-04    0.971968E+00
  89   -0.249080E-04    0.621379E+02  0.400850E-06 0.100000E-04    0.993866E+00
  90   -0.117646E-04    0.596581E+02  0.197201E-06 0.100000E-04    0.995719E+00
  91    0.684412E-06    0.586268E+02 -0.116741E-07 0.100000E-04    0.972766E+00
  92   -0.279073E-04    0.558263E+02  0.499896E-06 0.100000E-04    0.990423E+00
  93    0.332190E-04    0.536047E+02 -0.619704E-06 0.100000E-04    0.997119E+00
  94   -0.164013E-04    0.522833E+02  0.313700E-06 0.100000E-04    0.993069E+00
  95    0.313086E-04    0.503033E+02 -0.622397E-06 0.100000E-04    0.997497E+00
  96   -0.879516E-05    0.480055E+02  0.183211E-06 0.100000E-04    0.993620E+00
  97    0.198976E-04    0.435739E+02 -0.456641E-06 0.100000E-04    0.994611E+00
  98    0.143084E-04    0.398627E+02 -0.358942E-06 0.100000E-04    0.993544E+00
  99    0.298995E-04    0.373651E+02 -0.800201E-06 0.100000E-04    0.989109E+00
 100    0.308419E-04    0.362028E+02 -0.851922E-06 0.100000E-04    0.998427E+00
 101    0.926212E-04    0.348797E+02 -0.265544E-05 0.100000E-04    0.994756E+00
 102   -0.388084E-04    0.293935E+02  0.132031E-05 0.100000E-04    0.995280E+00
 103    0.300803E-04    0.289632E+02 -0.103857E-05 0.100000E-04    0.996507E+00
 104    0.390046E-04    0.287215E+02 -0.135803E-05 0.100000E-04    0.998388E+00
 105   -0.202397E-04    0.233526E+02  0.866703E-06 0.100000E-04    0.988603E+00
 106   -0.251057E-05    0.219127E+02  0.114572E-06 0.100000E-04    0.916610E+00
 107   -0.935065E-04    0.195909E+02  0.477297E-05 0.100000E-04    0.995235E+00
 108    0.837182E-04    0.166756E+02 -0.502039E-05 0.100000E-04    0.999516E+00
 109    0.658797E-04    0.138420E+02 -0.475941E-05 0.100000E-04    0.996062E+00
 110   -0.631474E-04    0.125427E+02  0.503460E-05 0.100000E-04    0.988514E+00
 111   -0.110936E-03    0.113697E+02  0.975719E-05 0.100000E-04    0.992236E+00
 112   -0.199186E-04    0.944634E+01  0.210860E-05 0.100000E-04    0.993386E+00
 113    0.443046E-02    0.760046E+01 -0.113488E-04 0.113488E-04    0.280047E+00
 114   -0.260878E+00    0.481444E+01 -0.400000E-03 0.400000E-03    0.154307E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5402842910E-01

 Beginning of optimization cycle  117.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3958389316
 potential> RMS force:                                               0.0246172155   |gradient|=.2628399359    
 Eigenvalues of the Hessian matrix:
   720.51034    670.90617    623.74847    603.62347    589.67042    564.42695 
   562.24257    478.39651    469.92076    463.18792    441.47074    431.53533 
   420.49139    405.87088    398.31329    388.45705    366.97675    363.78176 
   352.52233    342.87823    324.21915    322.59763    318.51735    316.94973 
   305.31763    287.36632    279.87613    271.41879    265.76639    262.25425 
   257.73839    253.41766    243.81589    239.27037    234.42459    228.54346 
   224.37959    212.71552    211.22887    209.66708    202.94971    198.49154 
   195.39949    191.62474    186.29025    177.92328    170.73672    168.09526 
   165.72722    160.54475    153.64002    151.03674    148.70165    142.63590 
   136.91699    134.78578    130.99561    127.67770    125.78242    124.70119 
   119.42905    117.94895    116.45899    112.51187    110.04479    105.49871 
   102.83020    100.43211     97.19805     95.05872     91.20006     90.70936 
    88.36969     84.49074     80.88398     79.15209     78.66988     72.97325 
    71.38940     69.23792     67.73412     63.47902     62.13123     59.65795 
    58.62990     55.82663     53.60223     52.28208     50.30329     48.00476 
    43.56935     39.86550     37.35777     36.20342     34.88697     29.38446 
    28.96184     28.72186     23.34751     21.91344     19.59171     16.67814 
    13.84068     12.53928     11.35937      9.44820      7.60098      4.81448 
overlap for current and previous eigenvector    109 is        -0.9999969386
overlap for current and previous eigenvector    110 is        -0.9999934492
overlap for current and previous eigenvector    111 is        -0.9999904638
overlap for current and previous eigenvector    112 is         0.9999994933
overlap for current and previous eigenvector    113 is        -0.9999992158
overlap for current and previous eigenvector    114 is         0.9999993539
J1,K1,R1,R2,RAT=   7   7   -0.5666504052         2.566485015        0.4333495948    
FOB,PFOB,DIAG,PSTEP=   -0.2940509766E-07   -0.1876884466E-07     720.5103402        0.2605153019E-10
J1,K1,R1,R2,RAT=   8   8   -0.2123845193E-02     2.002073249        0.9978761548    
FOB,PFOB,DIAG,PSTEP=   -0.9563914539E-06   -0.9543644802E-06     670.9061692        0.1422536665E-08
J1,K1,R1,R2,RAT=   9   9    0.7581525999E-02     1.992350970        0.9923509697    
FOB,PFOB,DIAG,PSTEP=    0.6835865925E-06    0.6888089920E-06     623.7484702       -0.1104342976E-08
J1,K1,R1,R2,RAT=  10  10   -0.7221479693E-02     2.007174122        0.9927785203    
FOB,PFOB,DIAG,PSTEP=    0.1401969506E-05    0.1391917563E-05     603.6234653       -0.2305991405E-08
J1,K1,R1,R2,RAT=  11  11   -0.3048615911E-02     2.003051025        0.9969513841    
FOB,PFOB,DIAG,PSTEP=   -0.9701650814E-06   -0.9672164136E-06     589.6704243        0.1640264135E-08
J1,K1,R1,R2,RAT= 109 109     2.003764881       -0.3573016195E-02    0.9964269838    
FOB,PFOB,DIAG,PSTEP=   -0.6611509019E-04    0.6587972345E-04     13.84067852       -0.4759405687E-05
J1,K1,R1,R2,RAT= 110 110     2.019423645       -0.1887986801E-01    0.9811201320    
FOB,PFOB,DIAG,PSTEP=    0.6433930635E-04   -0.6314741554E-04     12.53927537        0.5034601227E-05
J1,K1,R1,R2,RAT= 111 111     2.005252491       -0.3436349681E-02    0.9965636503    
FOB,PFOB,DIAG,PSTEP=    0.1113170660E-03   -0.1109361963E-03     11.35936924        0.9757192278E-05
J1,K1,R1,R2,RAT= 112 112    0.2197783177E-01     1.977628749        0.9776287487    
FOB,PFOB,DIAG,PSTEP=   -0.1948071918E-04   -0.1991857234E-04     9.448201678        0.2108601400E-05
J1,K1,R1,R2,RAT= 113 113     103.6391331       -0.9177334010        0.8226659902E-01
FOB,PFOB,DIAG,PSTEP=   -0.4509622742E-02    0.4430457565E-02     7.600977144       -0.1134875503E-04
J1,K1,R1,R2,RAT= 114 114    0.9984381792        -271.9291473        0.1561820812E-02
FOB,PFOB,DIAG,PSTEP=   -0.2628011240       -0.2608783380         4.814484464       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00002     -0.00001      0.00000     -0.00000      0.00001 
    -0.00000     -0.00000     -0.00000      0.00001      0.00000      0.00002 
     0.00001      0.00002     -0.00001     -0.00002      0.00000     -0.00003 
     0.00003      0.00001      0.00001     -0.00001      0.00001     -0.00001 
     0.00002     -0.00003     -0.00000      0.00000      0.00003      0.00001 
     0.00000     -0.00003     -0.00003      0.00002      0.00003      0.00001 
     0.00002      0.00001      0.00003      0.00003     -0.00009      0.00004 
     0.00003      0.00004      0.00002      0.00000     -0.00009     -0.00008 
    -0.00007      0.00006      0.00011     -0.00002     -0.00451     -0.26280 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4379354172
 Log product of positive Hessian eigenvalues =          520.4088227194
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8144844637
 Unscaled step for mode    7=        0.0000000000
 Unscaled step for mode    8=        0.0000000014
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000051
 Unscaled step for mode   13=       -0.0000000031
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000031
 Unscaled step for mode   17=       -0.0000000029
 Unscaled step for mode   18=       -0.0000000077
 Unscaled step for mode   19=       -0.0000000165
 Unscaled step for mode   20=       -0.0000000198
 Unscaled step for mode   21=       -0.0000000120
 Unscaled step for mode   22=        0.0000000000
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000240
 Unscaled step for mode   26=        0.0000000377
 Unscaled step for mode   27=        0.0000000211
 Unscaled step for mode   28=        0.0000000160
 Unscaled step for mode   29=        0.0000000245
 Unscaled step for mode   30=        0.0000000210
 Unscaled step for mode   31=        0.0000000073
 Unscaled step for mode   32=        0.0000000015
 Unscaled step for mode   33=       -0.0000000157
 Unscaled step for mode   34=       -0.0000000076
 Unscaled step for mode   35=       -0.0000000484
 Unscaled step for mode   36=       -0.0000000093
 Unscaled step for mode   37=        0.0000000221
 Unscaled step for mode   38=        0.0000000116
 Unscaled step for mode   39=        0.0000000388
 Unscaled step for mode   40=       -0.0000000199
 Unscaled step for mode   41=       -0.0000000251
 Unscaled step for mode   42=        0.0000000114
 Unscaled step for mode   43=       -0.0000000096
 Unscaled step for mode   44=        0.0000000137
 Unscaled step for mode   45=       -0.0000000171
 Unscaled step for mode   46=       -0.0000000275
 Unscaled step for mode   47=        0.0000000678
 Unscaled step for mode   48=        0.0000000039
 Unscaled step for mode   49=       -0.0000000384
 Unscaled step for mode   50=       -0.0000000287
 Unscaled step for mode   51=        0.0000000287
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=       -0.0000000326
 Unscaled step for mode   54=        0.0000000172
 Unscaled step for mode   55=        0.0000000650
 Unscaled step for mode   56=       -0.0000000242
 Unscaled step for mode   57=        0.0000000117
 Unscaled step for mode   58=       -0.0000000564
 Unscaled step for mode   59=       -0.0000000366
 Unscaled step for mode   60=        0.0000000631
 Unscaled step for mode   61=       -0.0000000502
 Unscaled step for mode   62=       -0.0000001490
 Unscaled step for mode   63=        0.0000000991
 Unscaled step for mode   64=       -0.0000000237
 Unscaled step for mode   65=        0.0000000096
 Unscaled step for mode   66=       -0.0000001139
 Unscaled step for mode   67=        0.0000000092
 Unscaled step for mode   68=        0.0000000331
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=       -0.0000000633
 Unscaled step for mode   71=       -0.0000000019
 Unscaled step for mode   72=       -0.0000001694
 Unscaled step for mode   73=       -0.0000000679
 Unscaled step for mode   74=       -0.0000002038
 Unscaled step for mode   75=        0.0000001440
 Unscaled step for mode   76=        0.0000001791
 Unscaled step for mode   77=       -0.0000000082
 Unscaled step for mode   78=        0.0000003499
 Unscaled step for mode   79=       -0.0000003403
 Unscaled step for mode   80=       -0.0000000943
 Unscaled step for mode   81=       -0.0000001162
 Unscaled step for mode   82=        0.0000001878
 Unscaled step for mode   83=       -0.0000001038
 Unscaled step for mode   84=        0.0000001630
 Unscaled step for mode   85=       -0.0000003103
 Unscaled step for mode   86=        0.0000004064
 Unscaled step for mode   87=        0.0000000674
 Unscaled step for mode   88=       -0.0000000061
 Unscaled step for mode   89=       -0.0000004038
 Unscaled step for mode   90=       -0.0000001994
 Unscaled step for mode   91=       -0.0000000114
 Unscaled step for mode   92=        0.0000005037
 Unscaled step for mode   93=        0.0000006229
 Unscaled step for mode   94=       -0.0000003173
 Unscaled step for mode   95=       -0.0000006250
 Unscaled step for mode   96=       -0.0000001835
 Unscaled step for mode   97=       -0.0000004605
 Unscaled step for mode   98=       -0.0000003612
 Unscaled step for mode   99=       -0.0000008138
 Unscaled step for mode  100=       -0.0000008548
 Unscaled step for mode  101=        0.0000026691
 Unscaled step for mode  102=       -0.0000013351
 Unscaled step for mode  103=       -0.0000010434
 Unscaled step for mode  104=       -0.0000013661
 Unscaled step for mode  105=       -0.0000008746
 Unscaled step for mode  106=       -0.0000001230
 Unscaled step for mode  107=        0.0000048065
 Unscaled step for mode  108=        0.0000050105
 Unscaled step for mode  109=        0.0000047769
 Unscaled step for mode  110=       -0.0000051310
 Unscaled step for mode  111=       -0.0000097996
 Unscaled step for mode  112=        0.0000020618
 Unscaled step for mode  113=        0.0005932949
 Unscaled step for mode  114=       -0.0544238373
 Largest modulus ratio of non-zero e/values=           149.6547233    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.107770E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.426417E-15    0.100764E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.340114E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.104020E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.625368E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.832708E-15    0.973543E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.294051E-07    0.720510E+03  0.408115E-10 0.100000E-04    0.433350E+00
   8   -0.956391E-06    0.670906E+03  0.142552E-08 0.100000E-04    0.997876E+00
   9    0.683587E-06    0.623748E+03 -0.109593E-08 0.100000E-04    0.992351E+00
  10    0.140197E-05    0.603623E+03 -0.232259E-08 0.100000E-04    0.992779E+00
  11   -0.970165E-06    0.589670E+03  0.164527E-08 0.100000E-04    0.996951E+00
  12    0.287538E-05    0.564427E+03 -0.509433E-08 0.100000E-04    0.998910E+00
  13    0.172578E-05    0.562243E+03 -0.306947E-08 0.100000E-04    0.997271E+00
  14   -0.558239E-05    0.478397E+03  0.116690E-07 0.100000E-04    0.997925E+00
  15    0.168680E-05    0.469921E+03 -0.358955E-08 0.100000E-04    0.995703E+00
  16    0.144254E-05    0.463188E+03 -0.311436E-08 0.100000E-04    0.984127E+00
  17    0.129696E-05    0.441471E+03 -0.293781E-08 0.100000E-04    0.980644E+00
  18    0.330776E-05    0.431535E+03 -0.766509E-08 0.100000E-04    0.997199E+00
  19    0.695036E-05    0.420491E+03 -0.165291E-07 0.100000E-04    0.993193E+00
  20    0.804779E-05    0.405871E+03 -0.198285E-07 0.100000E-04    0.996336E+00
  21    0.479807E-05    0.398313E+03 -0.120460E-07 0.100000E-04    0.993378E+00
  22   -0.162224E-07    0.388457E+03  0.417610E-10 0.100000E-04    0.411980E+00
  23   -0.188889E-05    0.366977E+03  0.514718E-08 0.100000E-04    0.998459E+00
  24    0.189281E-05    0.363782E+03 -0.520315E-08 0.100000E-04    0.999207E+00
  25   -0.844460E-05    0.352522E+03  0.239548E-07 0.100000E-04    0.993771E+00
  26   -0.129306E-04    0.342878E+03  0.377119E-07 0.100000E-04    0.992306E+00
  27   -0.682765E-05    0.324219E+03  0.210587E-07 0.100000E-04    0.994839E+00
  28   -0.516035E-05    0.322598E+03  0.159962E-07 0.100000E-04    0.994994E+00
  29   -0.780936E-05    0.318517E+03  0.245179E-07 0.100000E-04    0.996698E+00
  30   -0.665389E-05    0.316950E+03  0.209935E-07 0.100000E-04    0.982584E+00
  31   -0.223223E-05    0.305318E+03  0.731118E-08 0.100000E-04    0.991049E+00
  32   -0.429436E-06    0.287366E+03  0.149438E-08 0.100000E-04    0.948317E+00
  33    0.440293E-05    0.279876E+03 -0.157317E-07 0.100000E-04    0.991865E+00
  34    0.205417E-05    0.271419E+03 -0.756827E-08 0.100000E-04    0.985359E+00
  35    0.128638E-04    0.265766E+03 -0.484028E-07 0.100000E-04    0.994231E+00
  36    0.244536E-05    0.262254E+03 -0.932437E-08 0.100000E-04    0.983231E+00
  37   -0.569256E-05    0.257738E+03  0.220866E-07 0.100000E-04    0.992390E+00
  38   -0.295176E-05    0.253418E+03  0.116478E-07 0.100000E-04    0.998083E+00
  39   -0.944904E-05    0.243816E+03  0.387548E-07 0.100000E-04    0.992716E+00
  40    0.475402E-05    0.239270E+03 -0.198688E-07 0.100000E-04    0.987256E+00
  41    0.587963E-05    0.234425E+03 -0.250811E-07 0.100000E-04    0.986254E+00
  42   -0.260315E-05    0.228543E+03  0.113902E-07 0.100000E-04    0.989747E+00
  43    0.214405E-05    0.224380E+03 -0.955545E-08 0.100000E-04    0.992927E+00
  44   -0.290420E-05    0.212716E+03  0.136530E-07 0.100000E-04    0.987961E+00
  45    0.362112E-05    0.211229E+03 -0.171431E-07 0.100000E-04    0.997210E+00
  46    0.575570E-05    0.209667E+03 -0.274516E-07 0.100000E-04    0.991303E+00
  47   -0.137527E-04    0.202950E+03  0.677640E-07 0.100000E-04    0.993452E+00
  48   -0.766549E-06    0.198492E+03  0.386187E-08 0.100000E-04    0.982659E+00
  49    0.750015E-05    0.195399E+03 -0.383836E-07 0.100000E-04    0.992056E+00
  50    0.550144E-05    0.191625E+03 -0.287094E-07 0.100000E-04    0.990554E+00
  51   -0.534446E-05    0.186290E+03  0.286889E-07 0.100000E-04    0.994811E+00
  52    0.381485E-06    0.177923E+03 -0.214410E-08 0.100000E-04    0.992932E+00
  53    0.556333E-05    0.170737E+03 -0.325843E-07 0.100000E-04    0.995954E+00
  54   -0.288484E-05    0.168095E+03  0.171620E-07 0.100000E-04    0.989459E+00
  55   -0.107648E-04    0.165727E+03  0.649551E-07 0.100000E-04    0.994347E+00
  56    0.388370E-05    0.160545E+03 -0.241907E-07 0.100000E-04    0.991263E+00
  57   -0.179419E-05    0.153640E+03  0.116779E-07 0.100000E-04    0.995783E+00
  58    0.852045E-05    0.151037E+03 -0.564131E-07 0.100000E-04    0.992079E+00
  59    0.543987E-05    0.148702E+03 -0.365825E-07 0.100000E-04    0.997553E+00
  60   -0.900566E-05    0.142636E+03  0.631374E-07 0.100000E-04    0.995594E+00
  61    0.687885E-05    0.136917E+03 -0.502410E-07 0.100000E-04    0.990222E+00
  62    0.200807E-04    0.134786E+03 -0.148983E-06 0.100000E-04    0.994152E+00
  63   -0.129766E-04    0.130996E+03  0.990610E-07 0.100000E-04    0.992259E+00
  64    0.302996E-05    0.127678E+03 -0.237313E-07 0.100000E-04    0.988126E+00
  65   -0.121198E-05    0.125782E+03  0.963555E-08 0.100000E-04    0.995537E+00
  66    0.142051E-04    0.124701E+03 -0.113913E-06 0.100000E-04    0.992448E+00
  67   -0.109698E-05    0.119429E+03  0.918524E-08 0.100000E-04    0.997287E+00
  68   -0.390494E-05    0.117949E+03  0.331070E-07 0.100000E-04    0.991539E+00
  69   -0.611822E-07    0.116459E+03  0.525354E-09 0.100000E-04    0.703670E+00
  70    0.712527E-05    0.112512E+03 -0.633291E-07 0.100000E-04    0.991249E+00
  71    0.212463E-06    0.110045E+03 -0.193069E-08 0.100000E-04    0.906233E+00
  72    0.178668E-04    0.105499E+03 -0.169355E-06 0.100000E-04    0.990159E+00
  73    0.698591E-05    0.102830E+03 -0.679364E-07 0.100000E-04    0.988141E+00
  74    0.204715E-04    0.100432E+03 -0.203834E-06 0.100000E-04    0.993121E+00
  75   -0.139995E-04    0.971980E+02  0.144031E-06 0.100000E-04    0.990382E+00
  76   -0.170273E-04    0.950587E+02  0.179124E-06 0.100000E-04    0.992833E+00
  77    0.751320E-06    0.912001E+02 -0.823816E-08 0.100000E-04    0.986842E+00
  78   -0.317427E-04    0.907094E+02  0.349939E-06 0.100000E-04    0.993260E+00
  79    0.300723E-04    0.883697E+02 -0.340301E-06 0.100000E-04    0.996309E+00
  80    0.796662E-05    0.844907E+02 -0.942898E-07 0.100000E-04    0.991379E+00
  81    0.939992E-05    0.808840E+02 -0.116215E-06 0.100000E-04    0.991892E+00
  82   -0.148666E-04    0.791521E+02  0.187824E-06 0.100000E-04    0.996523E+00
  83    0.816443E-05    0.786699E+02 -0.103781E-06 0.100000E-04    0.998521E+00
  84   -0.118965E-04    0.729733E+02  0.163026E-06 0.100000E-04    0.988634E+00
  85    0.221529E-04    0.713894E+02 -0.310311E-06 0.100000E-04    0.992210E+00
  86   -0.281351E-04    0.692379E+02  0.406355E-06 0.100000E-04    0.994346E+00
  87   -0.456518E-05    0.677341E+02  0.673986E-07 0.100000E-04    0.987730E+00
  88    0.387111E-06    0.634790E+02 -0.609825E-08 0.100000E-04    0.810222E+00
  89    0.250899E-04    0.621312E+02 -0.403821E-06 0.100000E-04    0.992694E+00
  90    0.118930E-04    0.596579E+02 -0.199353E-06 0.100000E-04    0.989089E+00
  91    0.665603E-06    0.586299E+02 -0.113526E-07 0.100000E-04    0.972413E+00
  92   -0.281178E-04    0.558266E+02  0.503663E-06 0.100000E-04    0.992459E+00
  93   -0.333881E-04    0.536022E+02  0.622887E-06 0.100000E-04    0.994908E+00
  94    0.165876E-04    0.522821E+02 -0.317271E-06 0.100000E-04    0.988639E+00
  95    0.314375E-04    0.503033E+02 -0.624959E-06 0.100000E-04    0.995884E+00
  96    0.880899E-05    0.480048E+02 -0.183502E-06 0.100000E-04    0.998427E+00
  97    0.200622E-04    0.435694E+02 -0.460466E-06 0.100000E-04    0.991728E+00
  98    0.143998E-04    0.398655E+02 -0.361211E-06 0.100000E-04    0.993608E+00
  99    0.304033E-04    0.373578E+02 -0.813841E-06 0.100000E-04    0.983149E+00
 100    0.309484E-04    0.362034E+02 -0.854847E-06 0.100000E-04    0.996548E+00
 101   -0.931159E-04    0.348870E+02  0.266907E-05 0.100000E-04    0.994660E+00
 102    0.392305E-04    0.293845E+02 -0.133508E-05 0.100000E-04    0.989122E+00
 103    0.302175E-04    0.289618E+02 -0.104335E-05 0.100000E-04    0.995439E+00
 104    0.392375E-04    0.287219E+02 -0.136612E-05 0.100000E-04    0.994027E+00
 105    0.204198E-04    0.233475E+02 -0.874603E-06 0.100000E-04    0.991101E+00
 106    0.269431E-05    0.219134E+02 -0.122952E-06 0.100000E-04    0.926819E+00
 107   -0.941668E-04    0.195917E+02  0.480646E-05 0.100000E-04    0.992938E+00
 108   -0.835659E-04    0.166781E+02  0.501051E-05 0.100000E-04    0.997881E+00
 109   -0.661151E-04    0.138407E+02  0.477687E-05 0.100000E-04    0.996427E+00
 110    0.643393E-04    0.125393E+02 -0.513102E-05 0.100000E-04    0.981120E+00
 111    0.111317E-03    0.113594E+02 -0.979958E-05 0.100000E-04    0.996564E+00
 112   -0.194807E-04    0.944820E+01  0.206184E-05 0.100000E-04    0.977629E+00
 113   -0.450962E-02    0.760098E+01  0.123701E-04 0.123701E-04    0.822666E-01
 114   -0.262801E+00    0.481448E+01 -0.400000E-03 0.400000E-03    0.156182E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5442383730E-01

 Beginning of optimization cycle  118.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3957334829
 potential> RMS force:                                               0.0247973878   |gradient|=.2647636501    
 Eigenvalues of the Hessian matrix:
   720.56988    670.92302    623.76939    603.63774    589.66954    564.44775 
   562.28117    478.41310    469.89820    463.17676    441.46826    431.52509 
   420.49920    405.88173    398.30956    388.46128    366.97848    363.77138 
   352.51295    342.83858    324.22486    322.57793    318.50723    316.96372 
   305.31522    287.36875    279.87210    271.41231    265.76644    262.26260 
   257.74188    253.41921    243.80279    239.25851    234.43572    228.54606 
   224.36092    212.71339    211.23350    209.65620    202.95225    198.48690 
   195.40217    191.62422    186.28381    177.90852    170.73920    168.09325 
   165.72594    160.54101    153.63574    151.03590    148.70817    142.63991 
   136.91747    134.79062    130.99460    127.67710    125.78589    124.70816 
   119.42953    117.94861    116.46272    112.50454    110.03613    105.49483 
   102.83065    100.42775     97.19638     95.05960     91.19387     90.71578 
    88.38137     84.49214     80.88396     79.15558     78.66790     72.97043 
    71.39250     69.22889     67.73724     63.47688     62.12447     59.65783 
    58.63298     55.82693     53.59976     52.28087     50.30323     48.00398 
    43.56481     39.86831     37.35052     36.20396     34.89422     29.37546 
    28.96045     28.72220     23.34250     21.91423     19.59260     16.68060 
    13.83936     12.53591     11.34898      9.45006      7.60147      4.81449 
overlap for current and previous eigenvector    109 is        -0.9999969775
overlap for current and previous eigenvector    110 is        -0.9999935681
overlap for current and previous eigenvector    111 is        -0.9999905834
overlap for current and previous eigenvector    112 is         0.9999994862
overlap for current and previous eigenvector    113 is        -0.9999992135
overlap for current and previous eigenvector    114 is         0.9999993579
J1,K1,R1,R2,RAT=   7   7   -0.2411345878         2.240969323        0.7588654122    
FOB,PFOB,DIAG,PSTEP=   -0.3649626972E-07   -0.2940509766E-07     720.5698825        0.4081148599E-10
J1,K1,R1,R2,RAT=   8   8   -0.2501940442E-01     2.024969183        0.9749805956    
FOB,PFOB,DIAG,PSTEP=   -0.9803203994E-06   -0.9563914539E-06     670.9230164        0.1425521925E-08
J1,K1,R1,R2,RAT=   9   9   -0.1279019548E-01     2.012723116        0.9872098045    
FOB,PFOB,DIAG,PSTEP=    0.6923300919E-06    0.6835865925E-06     623.7693912       -0.1095933097E-08
J1,K1,R1,R2,RAT=  10  10    0.1459469493E-02     1.998493227        0.9984932266    
FOB,PFOB,DIAG,PSTEP=    0.1399923326E-05    0.1401969506E-05     603.6377425       -0.2322589472E-08
J1,K1,R1,R2,RAT=  11  11    0.2240003961E-03     1.999779012        0.9997759996    
FOB,PFOB,DIAG,PSTEP=   -0.9699477644E-06   -0.9701650814E-06     589.6695360        0.1645266646E-08
J1,K1,R1,R2,RAT= 109 109     2.004019186       -0.3829013990E-02    0.9961709860    
FOB,PFOB,DIAG,PSTEP=    0.6636822172E-04   -0.6611509019E-04     13.83936259        0.4776867701E-05
J1,K1,R1,R2,RAT= 110 110     2.011752779       -0.1121536264E-01    0.9887846374    
FOB,PFOB,DIAG,PSTEP=   -0.6506070116E-04    0.6433930635E-04     12.53590687       -0.5131022684E-05
J1,K1,R1,R2,RAT= 111 111     2.009428718       -0.7597870430E-02    0.9924021296    
FOB,PFOB,DIAG,PSTEP=   -0.1121620651E-03    0.1113170660E-03     11.34898011       -0.9799581621E-05
J1,K1,R1,R2,RAT= 112 112    0.6667966558E-02     1.992938269        0.9929382687    
FOB,PFOB,DIAG,PSTEP=   -0.1935079681E-04   -0.1948071918E-04     9.450062228        0.2061844131E-05
J1,K1,R1,R2,RAT= 113 113     96.67899673       -0.7614501671        0.2385498329    
FOB,PFOB,DIAG,PSTEP=    0.4581222843E-02   -0.4509622742E-02     7.601467211        0.1237014298E-04
J1,K1,R1,R2,RAT= 114 114    0.9984267861        -273.9258135        0.1573213876E-02
FOB,PFOB,DIAG,PSTEP=   -0.2647238895       -0.2628011240         4.814487969       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
     0.00001     -0.00002      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000      0.00001     -0.00000      0.00002 
     0.00001     -0.00002      0.00001     -0.00002     -0.00000     -0.00003 
    -0.00003     -0.00001      0.00001     -0.00001      0.00001      0.00001 
    -0.00002     -0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
    -0.00000      0.00003     -0.00003      0.00002     -0.00003     -0.00001 
    -0.00002      0.00001     -0.00003      0.00003     -0.00009      0.00004 
    -0.00003     -0.00004      0.00002      0.00000     -0.00009      0.00008 
     0.00007     -0.00007     -0.00011     -0.00002      0.00458     -0.26472 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4379697981
 Log product of positive Hessian eigenvalues =          520.4070971641
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8144879693
 Unscaled step for mode    7=        0.0000000001
 Unscaled step for mode    8=        0.0000000015
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000051
 Unscaled step for mode   13=       -0.0000000030
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000031
 Unscaled step for mode   17=       -0.0000000030
 Unscaled step for mode   18=       -0.0000000077
 Unscaled step for mode   19=       -0.0000000166
 Unscaled step for mode   20=       -0.0000000199
 Unscaled step for mode   21=       -0.0000000121
 Unscaled step for mode   22=       -0.0000000000
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000241
 Unscaled step for mode   26=        0.0000000380
 Unscaled step for mode   27=        0.0000000212
 Unscaled step for mode   28=        0.0000000159
 Unscaled step for mode   29=        0.0000000247
 Unscaled step for mode   30=        0.0000000214
 Unscaled step for mode   31=        0.0000000074
 Unscaled step for mode   32=        0.0000000015
 Unscaled step for mode   33=       -0.0000000158
 Unscaled step for mode   34=       -0.0000000076
 Unscaled step for mode   35=       -0.0000000488
 Unscaled step for mode   36=       -0.0000000094
 Unscaled step for mode   37=        0.0000000223
 Unscaled step for mode   38=        0.0000000117
 Unscaled step for mode   39=        0.0000000390
 Unscaled step for mode   40=       -0.0000000202
 Unscaled step for mode   41=       -0.0000000254
 Unscaled step for mode   42=        0.0000000115
 Unscaled step for mode   43=       -0.0000000097
 Unscaled step for mode   44=        0.0000000141
 Unscaled step for mode   45=       -0.0000000172
 Unscaled step for mode   46=       -0.0000000278
 Unscaled step for mode   47=        0.0000000684
 Unscaled step for mode   48=        0.0000000038
 Unscaled step for mode   49=       -0.0000000388
 Unscaled step for mode   50=       -0.0000000288
 Unscaled step for mode   51=        0.0000000290
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=        0.0000000328
 Unscaled step for mode   54=        0.0000000174
 Unscaled step for mode   55=        0.0000000654
 Unscaled step for mode   56=        0.0000000243
 Unscaled step for mode   57=        0.0000000118
 Unscaled step for mode   58=        0.0000000568
 Unscaled step for mode   59=        0.0000000369
 Unscaled step for mode   60=        0.0000000638
 Unscaled step for mode   61=       -0.0000000506
 Unscaled step for mode   62=        0.0000001498
 Unscaled step for mode   63=       -0.0000000995
 Unscaled step for mode   64=       -0.0000000241
 Unscaled step for mode   65=        0.0000000094
 Unscaled step for mode   66=        0.0000001146
 Unscaled step for mode   67=       -0.0000000093
 Unscaled step for mode   68=       -0.0000000334
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000642
 Unscaled step for mode   71=        0.0000000020
 Unscaled step for mode   72=       -0.0000001705
 Unscaled step for mode   73=       -0.0000000688
 Unscaled step for mode   74=        0.0000002049
 Unscaled step for mode   75=       -0.0000001458
 Unscaled step for mode   76=        0.0000001805
 Unscaled step for mode   77=        0.0000000088
 Unscaled step for mode   78=        0.0000003531
 Unscaled step for mode   79=        0.0000003412
 Unscaled step for mode   80=        0.0000000952
 Unscaled step for mode   81=       -0.0000001170
 Unscaled step for mode   82=        0.0000001881
 Unscaled step for mode   83=       -0.0000001043
 Unscaled step for mode   84=       -0.0000001642
 Unscaled step for mode   85=        0.0000003119
 Unscaled step for mode   86=        0.0000004086
 Unscaled step for mode   87=        0.0000000659
 Unscaled step for mode   88=        0.0000000062
 Unscaled step for mode   89=        0.0000004063
 Unscaled step for mode   90=        0.0000002002
 Unscaled step for mode   91=        0.0000000110
 Unscaled step for mode   92=       -0.0000005084
 Unscaled step for mode   93=        0.0000006246
 Unscaled step for mode   94=       -0.0000003195
 Unscaled step for mode   95=        0.0000006264
 Unscaled step for mode   96=        0.0000001847
 Unscaled step for mode   97=        0.0000004630
 Unscaled step for mode   98=       -0.0000003635
 Unscaled step for mode   99=        0.0000008229
 Unscaled step for mode  100=       -0.0000008559
 Unscaled step for mode  101=        0.0000026821
 Unscaled step for mode  102=       -0.0000013420
 Unscaled step for mode  103=        0.0000010467
 Unscaled step for mode  104=        0.0000013682
 Unscaled step for mode  105=       -0.0000008845
 Unscaled step for mode  106=       -0.0000001126
 Unscaled step for mode  107=        0.0000048286
 Unscaled step for mode  108=       -0.0000050080
 Unscaled step for mode  109=       -0.0000047956
 Unscaled step for mode  110=        0.0000051899
 Unscaled step for mode  111=        0.0000098830
 Unscaled step for mode  112=        0.0000020477
 Unscaled step for mode  113=       -0.0006026759
 Unscaled step for mode  114=       -0.0548196082
 Largest modulus ratio of non-zero e/values=           149.6669816    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.666134E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.269316E-15    0.100764E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.210010E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.122645E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.664161E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.793229E-16    0.973544E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.364963E-07    0.720570E+03  0.506492E-10 0.100000E-04    0.758865E+00
   8   -0.980320E-06    0.670923E+03  0.146115E-08 0.100000E-04    0.974981E+00
   9    0.692330E-06    0.623769E+03 -0.110991E-08 0.100000E-04    0.987210E+00
  10    0.139992E-05    0.603638E+03 -0.231914E-08 0.100000E-04    0.998493E+00
  11   -0.969948E-06    0.589670E+03  0.164490E-08 0.100000E-04    0.999776E+00
  12    0.289071E-05    0.564448E+03 -0.512130E-08 0.100000E-04    0.994668E+00
  13    0.170239E-05    0.562281E+03 -0.302766E-08 0.100000E-04    0.986310E+00
  14   -0.558751E-05    0.478413E+03  0.116792E-07 0.100000E-04    0.999084E+00
  15    0.169749E-05    0.469898E+03 -0.361247E-08 0.100000E-04    0.993662E+00
  16    0.145342E-05    0.463177E+03 -0.313793E-08 0.100000E-04    0.992457E+00
  17    0.130303E-05    0.441468E+03 -0.295158E-08 0.100000E-04    0.995320E+00
  18    0.332623E-05    0.431525E+03 -0.770809E-08 0.100000E-04    0.994414E+00
  19    0.699166E-05    0.420499E+03 -0.166270E-07 0.100000E-04    0.994059E+00
  20    0.806293E-05    0.405882E+03 -0.198652E-07 0.100000E-04    0.998119E+00
  21    0.482253E-05    0.398310E+03 -0.121075E-07 0.100000E-04    0.994902E+00
  22    0.162696E-08    0.388461E+03 -0.418822E-11 0.109000E-04    0.100279E+00
  23   -0.188220E-05    0.366978E+03  0.512890E-08 0.100000E-04    0.996445E+00
  24    0.189262E-05    0.363771E+03 -0.520278E-08 0.100000E-04    0.999902E+00
  25   -0.850125E-05    0.352513E+03  0.241161E-07 0.100000E-04    0.993292E+00
  26   -0.130274E-04    0.342839E+03  0.379986E-07 0.100000E-04    0.992513E+00
  27   -0.687305E-05    0.324225E+03  0.211984E-07 0.100000E-04    0.993351E+00
  28   -0.513977E-05    0.322578E+03  0.159334E-07 0.100000E-04    0.996013E+00
  29   -0.785941E-05    0.318507E+03  0.246758E-07 0.100000E-04    0.993591E+00
  30   -0.676930E-05    0.316964E+03  0.213567E-07 0.100000E-04    0.982655E+00
  31   -0.227131E-05    0.305315E+03  0.743922E-08 0.100000E-04    0.982495E+00
  32   -0.443478E-06    0.287369E+03  0.154324E-08 0.100000E-04    0.967301E+00
  33    0.442899E-05    0.279872E+03 -0.158251E-07 0.100000E-04    0.994081E+00
  34    0.206429E-05    0.271412E+03 -0.760572E-08 0.100000E-04    0.995075E+00
  35    0.129586E-04    0.265766E+03 -0.487594E-07 0.100000E-04    0.992631E+00
  36    0.247690E-05    0.262263E+03 -0.944436E-08 0.100000E-04    0.987099E+00
  37   -0.574137E-05    0.257742E+03  0.222757E-07 0.100000E-04    0.991426E+00
  38   -0.297421E-05    0.253419E+03  0.117363E-07 0.100000E-04    0.992393E+00
  39   -0.950761E-05    0.243803E+03  0.389971E-07 0.100000E-04    0.993800E+00
  40    0.482764E-05    0.239259E+03 -0.201775E-07 0.100000E-04    0.984514E+00
  41    0.595775E-05    0.234436E+03 -0.254131E-07 0.100000E-04    0.986715E+00
  42   -0.263366E-05    0.228546E+03  0.115236E-07 0.100000E-04    0.988278E+00
  43    0.217606E-05    0.224361E+03 -0.969895E-08 0.100000E-04    0.985066E+00
  44   -0.299159E-05    0.212713E+03  0.140639E-07 0.100000E-04    0.969911E+00
  45    0.362750E-05    0.211233E+03 -0.171730E-07 0.100000E-04    0.998237E+00
  46    0.583676E-05    0.209656E+03 -0.278397E-07 0.100000E-04    0.985915E+00
  47   -0.138735E-04    0.202952E+03  0.683582E-07 0.100000E-04    0.991218E+00
  48   -0.751920E-06    0.198487E+03  0.378826E-08 0.100000E-04    0.980915E+00
  49    0.757798E-05    0.195402E+03 -0.387814E-07 0.100000E-04    0.989623E+00
  50    0.551934E-05    0.191624E+03 -0.288029E-07 0.100000E-04    0.996746E+00
  51   -0.539535E-05    0.186284E+03  0.289631E-07 0.100000E-04    0.990477E+00
  52    0.376495E-06    0.177909E+03 -0.211623E-08 0.100000E-04    0.986916E+00
  53   -0.560280E-05    0.170739E+03  0.328150E-07 0.100000E-04    0.992906E+00
  54   -0.293174E-05    0.168093E+03  0.174412E-07 0.100000E-04    0.983744E+00
  55   -0.108392E-04    0.165726E+03  0.654041E-07 0.100000E-04    0.993095E+00
  56   -0.389594E-05    0.160541E+03  0.242676E-07 0.100000E-04    0.996847E+00
  57   -0.181546E-05    0.153636E+03  0.118166E-07 0.100000E-04    0.988145E+00
  58   -0.857409E-05    0.151036E+03  0.567685E-07 0.100000E-04    0.993705E+00
  59   -0.548866E-05    0.148708E+03  0.369089E-07 0.100000E-04    0.991032E+00
  60   -0.909363E-05    0.142640E+03  0.637524E-07 0.100000E-04    0.990231E+00
  61    0.692500E-05    0.136917E+03 -0.505779E-07 0.100000E-04    0.993291E+00
  62   -0.201862E-04    0.134791E+03  0.149760E-06 0.100000E-04    0.994746E+00
  63    0.130373E-04    0.130995E+03 -0.995258E-07 0.100000E-04    0.995316E+00
  64    0.307586E-05    0.127677E+03 -0.240910E-07 0.100000E-04    0.984850E+00
  65   -0.118408E-05    0.125786E+03  0.941347E-08 0.100000E-04    0.976925E+00
  66   -0.142903E-04    0.124708E+03  0.114590E-06 0.100000E-04    0.994003E+00
  67    0.111549E-05    0.119430E+03 -0.934013E-08 0.100000E-04    0.983133E+00
  68    0.393375E-05    0.117949E+03 -0.333513E-07 0.100000E-04    0.992623E+00
  69    0.464237E-07    0.116463E+03 -0.398614E-09 0.100000E-04    0.758721E+00
  70    0.721868E-05    0.112505E+03 -0.641634E-07 0.100000E-04    0.986890E+00
  71   -0.221970E-06    0.110036E+03  0.201725E-08 0.100000E-04    0.955248E+00
  72    0.179870E-04    0.105495E+03 -0.170501E-06 0.100000E-04    0.993272E+00
  73    0.707787E-05    0.102831E+03 -0.688304E-07 0.100000E-04    0.986836E+00
  74   -0.205747E-04    0.100428E+03  0.204870E-06 0.100000E-04    0.994959E+00
  75    0.141699E-04    0.971964E+02 -0.145787E-06 0.100000E-04    0.987826E+00
  76   -0.171569E-04    0.950596E+02  0.180485E-06 0.100000E-04    0.992389E+00
  77   -0.805263E-06    0.911939E+02  0.883023E-08 0.100000E-04    0.928198E+00
  78   -0.320304E-04    0.907158E+02  0.353085E-06 0.100000E-04    0.990939E+00
  79   -0.301544E-04    0.883814E+02  0.341185E-06 0.100000E-04    0.997271E+00
  80   -0.804747E-05    0.844921E+02  0.952452E-07 0.100000E-04    0.989851E+00
  81    0.946179E-05    0.808840E+02 -0.116980E-06 0.100000E-04    0.993418E+00
  82   -0.148875E-04    0.791556E+02  0.188079E-06 0.100000E-04    0.998597E+00
  83    0.820597E-05    0.786679E+02 -0.104312E-06 0.100000E-04    0.994912E+00
  84    0.119848E-04    0.729704E+02 -0.164242E-06 0.100000E-04    0.992581E+00
  85   -0.222663E-04    0.713925E+02  0.311886E-06 0.100000E-04    0.994884E+00
  86   -0.282871E-04    0.692289E+02  0.408603E-06 0.100000E-04    0.994598E+00
  87   -0.446235E-05    0.677372E+02  0.658774E-07 0.100000E-04    0.977384E+00
  88   -0.395999E-06    0.634769E+02  0.623848E-08 0.100000E-04    0.977039E+00
  89   -0.252418E-04    0.621245E+02  0.406310E-06 0.100000E-04    0.993946E+00
  90   -0.119432E-04    0.596578E+02  0.200195E-06 0.100000E-04    0.995780E+00
  91   -0.646464E-06    0.586330E+02  0.110256E-07 0.100000E-04    0.971143E+00
  92    0.283820E-04    0.558269E+02 -0.508393E-06 0.100000E-04    0.990602E+00
  93   -0.334803E-04    0.535998E+02  0.624635E-06 0.100000E-04    0.997241E+00
  94    0.167013E-04    0.522809E+02 -0.319454E-06 0.100000E-04    0.993145E+00
  95   -0.315123E-04    0.503032E+02  0.626447E-06 0.100000E-04    0.997620E+00
  96   -0.886429E-05    0.480040E+02  0.184657E-06 0.100000E-04    0.993722E+00
  97   -0.201684E-04    0.435648E+02  0.462951E-06 0.100000E-04    0.994706E+00
  98    0.144918E-04    0.398683E+02 -0.363492E-06 0.100000E-04    0.993613E+00
  99   -0.307342E-04    0.373505E+02  0.822859E-06 0.100000E-04    0.989114E+00
 100    0.309885E-04    0.362040E+02 -0.855941E-06 0.100000E-04    0.998706E+00
 101   -0.935906E-04    0.348942E+02  0.268212E-05 0.100000E-04    0.994903E+00
 102    0.394213E-04    0.293755E+02 -0.134198E-05 0.100000E-04    0.995134E+00
 103   -0.303127E-04    0.289605E+02  0.104669E-05 0.100000E-04    0.996849E+00
 104   -0.392973E-04    0.287222E+02  0.136819E-05 0.100000E-04    0.998476E+00
 105    0.206468E-04    0.233425E+02 -0.884514E-06 0.100000E-04    0.988883E+00
 106    0.246734E-05    0.219142E+02 -0.112591E-06 0.100000E-04    0.915690E+00
 107   -0.946040E-04    0.195926E+02  0.482856E-05 0.100000E-04    0.995358E+00
 108    0.835361E-04    0.166806E+02 -0.500798E-05 0.100000E-04    0.999348E+00
 109    0.663682E-04    0.138394E+02 -0.479561E-05 0.100000E-04    0.996171E+00
 110   -0.650607E-04    0.125359E+02  0.518995E-05 0.100000E-04    0.988785E+00
 111   -0.112162E-03    0.113490E+02  0.988301E-05 0.100000E-04    0.992402E+00
 112   -0.193508E-04    0.945006E+01  0.204769E-05 0.100000E-04    0.992938E+00
 113    0.458122E-02    0.760147E+01 -0.111443E-04 0.111443E-04    0.238550E+00
 114   -0.264724E+00    0.481449E+01 -0.400000E-03 0.400000E-03    0.157321E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5481960818E-01

 Beginning of optimization cycle  119.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3956272604
 potential> RMS force:                                               0.0249775728   |gradient|=.2666874988    
 Eigenvalues of the Hessian matrix:
   720.62950    670.93990    623.79028    603.65176    589.66868    564.46846 
   562.31973    478.42977    469.87563    463.16559    441.46578    431.51478 
   420.50695    405.89254    398.30580    388.46547    366.98020    363.76103 
   352.50351    342.79890    324.23055    322.55850    318.49719    316.97738 
   305.31275    287.37119    279.86806    271.40581    265.76650    262.27094 
   257.74532    253.42077    243.78971    239.24655    234.44685    228.54863 
   224.34220    212.71132    211.23812    209.64523    202.95478    198.48224 
   195.40482    191.62373    186.27730    177.89379    170.74176    168.09117 
   165.72466    160.53726    153.63150    151.03504    148.71473    142.64393 
   136.91796    134.79544    130.99362    127.67650    125.78937    124.71511 
   119.43004    117.94829    116.46646    112.49723    110.02747    105.49099 
   102.83113    100.42339     97.19469     95.06049     91.18767     90.72222 
    88.39303     84.49353     80.88394     79.15907     78.66592     72.96763 
    71.39565     69.21987     67.74039     63.47478     62.11770     59.65771 
    58.63607     55.82729     53.59729     52.27968     50.30318     48.00323 
    43.56028     39.87113     37.34332     36.20453     34.90151     29.36650 
    28.95905     28.72254     23.33748     21.91500     19.59357     16.68304 
    13.83807     12.53257     11.33856      9.45191      7.60196      4.81446 
overlap for current and previous eigenvector    109 is         0.9999970264
overlap for current and previous eigenvector    110 is        -0.9999936929
overlap for current and previous eigenvector    111 is        -0.9999907307
overlap for current and previous eigenvector    112 is        -0.9999994798
overlap for current and previous eigenvector    113 is        -0.9999992072
overlap for current and previous eigenvector    114 is        -0.9999993606
J1,K1,R1,R2,RAT=   7   7   -0.2962602101         2.296094756        0.7037397899    
FOB,PFOB,DIAG,PSTEP=   -0.4730955681E-07   -0.3649626972E-07     720.6294981        0.5064917450E-10
J1,K1,R1,R2,RAT=   8   8   -0.2334138057E-02     2.002283809        0.9976658619    
FOB,PFOB,DIAG,PSTEP=   -0.9826086601E-06   -0.9803203994E-06     670.9399002        0.1461151839E-08
J1,K1,R1,R2,RAT=   9   9    0.7448993413E-02     1.992484027        0.9924840275    
FOB,PFOB,DIAG,PSTEP=    0.6871727569E-06    0.6923300919E-06     623.7902817       -0.1109913538E-08
J1,K1,R1,R2,RAT=  10  10   -0.7133573828E-02     2.007087134        0.9928664262    
FOB,PFOB,DIAG,PSTEP=    0.1409910014E-05    0.1399923326E-05     603.6517592       -0.2319144790E-08
J1,K1,R1,R2,RAT=  11  11   -0.2991923422E-02     2.002994830        0.9970080766    
FOB,PFOB,DIAG,PSTEP=   -0.9728497696E-06   -0.9699477644E-06     589.6686791        0.1644900584E-08
J1,K1,R1,R2,RAT= 109 109   -0.3485144912E-02     2.003672119        0.9965148551    
FOB,PFOB,DIAG,PSTEP=    0.6659950297E-04    0.6636822172E-04     13.83806891       -0.4795612607E-05
J1,K1,R1,R2,RAT= 110 110     2.018914873       -0.1838184003E-01    0.9816181600    
FOB,PFOB,DIAG,PSTEP=    0.6625631790E-04   -0.6506070116E-04     12.53256673        0.5189947711E-05
J1,K1,R1,R2,RAT= 111 111     2.005120720       -0.3281866512E-02    0.9967181335    
FOB,PFOB,DIAG,PSTEP=    0.1125298279E-03   -0.1121620651E-03     11.33855514        0.9883008343E-05
J1,K1,R1,R2,RAT= 112 112     1.976722047        0.2288607091E-01    0.9767220471    
FOB,PFOB,DIAG,PSTEP=    0.1890784631E-04   -0.1935079681E-04     9.451914245        0.2047689883E-05
J1,K1,R1,R2,RAT= 113 113     109.1154233       -0.9635660565        0.3643394351E-01
FOB,PFOB,DIAG,PSTEP=   -0.4662854558E-02    0.4581222843E-02     7.601961933       -0.1114427296E-04
J1,K1,R1,R2,RAT= 114 114    -275.9239982        0.9984077088        0.1592291241E-02
FOB,PFOB,DIAG,PSTEP=    0.2666466088       -0.2647238895         4.814464325       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00001      0.00001 
     0.00001      0.00002      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000     -0.00001      0.00000     -0.00002 
    -0.00001     -0.00002     -0.00001     -0.00002      0.00000     -0.00003 
     0.00003      0.00001      0.00001     -0.00001     -0.00001     -0.00001 
     0.00002      0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
    -0.00000      0.00003     -0.00003      0.00002     -0.00003     -0.00001 
     0.00002      0.00001      0.00003     -0.00003      0.00009     -0.00004 
    -0.00003      0.00004     -0.00002     -0.00000      0.00010     -0.00008 
     0.00007      0.00007      0.00011      0.00002     -0.00466      0.26665 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4380003394
 Log product of positive Hessian eigenvalues =          520.4053743531
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8144643246
 Unscaled step for mode    7=        0.0000000001
 Unscaled step for mode    8=        0.0000000015
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000051
 Unscaled step for mode   13=       -0.0000000030
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000032
 Unscaled step for mode   17=       -0.0000000030
 Unscaled step for mode   18=       -0.0000000077
 Unscaled step for mode   19=       -0.0000000167
 Unscaled step for mode   20=       -0.0000000199
 Unscaled step for mode   21=       -0.0000000122
 Unscaled step for mode   22=       -0.0000000001
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000243
 Unscaled step for mode   26=        0.0000000383
 Unscaled step for mode   27=        0.0000000213
 Unscaled step for mode   28=        0.0000000158
 Unscaled step for mode   29=        0.0000000247
 Unscaled step for mode   30=        0.0000000217
 Unscaled step for mode   31=        0.0000000075
 Unscaled step for mode   32=        0.0000000016
 Unscaled step for mode   33=       -0.0000000160
 Unscaled step for mode   34=       -0.0000000077
 Unscaled step for mode   35=       -0.0000000490
 Unscaled step for mode   36=       -0.0000000096
 Unscaled step for mode   37=        0.0000000224
 Unscaled step for mode   38=        0.0000000118
 Unscaled step for mode   39=        0.0000000393
 Unscaled step for mode   40=       -0.0000000204
 Unscaled step for mode   41=       -0.0000000258
 Unscaled step for mode   42=        0.0000000116
 Unscaled step for mode   43=       -0.0000000098
 Unscaled step for mode   44=        0.0000000142
 Unscaled step for mode   45=       -0.0000000172
 Unscaled step for mode   46=       -0.0000000281
 Unscaled step for mode   47=        0.0000000688
 Unscaled step for mode   48=        0.0000000037
 Unscaled step for mode   49=       -0.0000000391
 Unscaled step for mode   50=       -0.0000000291
 Unscaled step for mode   51=        0.0000000291
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=        0.0000000329
 Unscaled step for mode   54=        0.0000000176
 Unscaled step for mode   55=       -0.0000000658
 Unscaled step for mode   56=        0.0000000245
 Unscaled step for mode   57=       -0.0000000119
 Unscaled step for mode   58=       -0.0000000572
 Unscaled step for mode   59=       -0.0000000370
 Unscaled step for mode   60=       -0.0000000640
 Unscaled step for mode   61=       -0.0000000511
 Unscaled step for mode   62=       -0.0000001506
 Unscaled step for mode   63=       -0.0000001003
 Unscaled step for mode   64=       -0.0000000244
 Unscaled step for mode   65=        0.0000000094
 Unscaled step for mode   66=        0.0000001154
 Unscaled step for mode   67=       -0.0000000093
 Unscaled step for mode   68=       -0.0000000336
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=        0.0000000647
 Unscaled step for mode   71=       -0.0000000022
 Unscaled step for mode   72=        0.0000001722
 Unscaled step for mode   73=        0.0000000696
 Unscaled step for mode   74=        0.0000002063
 Unscaled step for mode   75=        0.0000001472
 Unscaled step for mode   76=        0.0000001818
 Unscaled step for mode   77=       -0.0000000090
 Unscaled step for mode   78=        0.0000003554
 Unscaled step for mode   79=       -0.0000003423
 Unscaled step for mode   80=       -0.0000000961
 Unscaled step for mode   81=       -0.0000001179
 Unscaled step for mode   82=        0.0000001887
 Unscaled step for mode   83=        0.0000001042
 Unscaled step for mode   84=        0.0000001661
 Unscaled step for mode   85=       -0.0000003143
 Unscaled step for mode   86=       -0.0000004109
 Unscaled step for mode   87=        0.0000000650
 Unscaled step for mode   88=        0.0000000072
 Unscaled step for mode   89=        0.0000004093
 Unscaled step for mode   90=        0.0000002023
 Unscaled step for mode   91=        0.0000000107
 Unscaled step for mode   92=       -0.0000005122
 Unscaled step for mode   93=        0.0000006278
 Unscaled step for mode   94=       -0.0000003230
 Unscaled step for mode   95=        0.0000006289
 Unscaled step for mode   96=        0.0000001849
 Unscaled step for mode   97=       -0.0000004668
 Unscaled step for mode   98=       -0.0000003658
 Unscaled step for mode   99=       -0.0000008368
 Unscaled step for mode  100=        0.0000008586
 Unscaled step for mode  101=       -0.0000026955
 Unscaled step for mode  102=        0.0000013570
 Unscaled step for mode  103=        0.0000010511
 Unscaled step for mode  104=       -0.0000013761
 Unscaled step for mode  105=        0.0000008925
 Unscaled step for mode  106=        0.0000001210
 Unscaled step for mode  107=       -0.0000048614
 Unscaled step for mode  108=        0.0000049972
 Unscaled step for mode  109=       -0.0000048128
 Unscaled step for mode  110=       -0.0000052867
 Unscaled step for mode  111=       -0.0000099245
 Unscaled step for mode  112=       -0.0000020004
 Unscaled step for mode  113=        0.0006133749
 Unscaled step for mode  114=        0.0552156269
 Largest modulus ratio of non-zero e/values=           149.6800993    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.120130E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.534512E-16    0.100763E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.329597E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.973288E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.111958E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.290431E-16    0.973546E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.473096E-07    0.720629E+03  0.656503E-10 0.100000E-04    0.703740E+00
   8   -0.982609E-06    0.670940E+03  0.146453E-08 0.100000E-04    0.997666E+00
   9    0.687173E-06    0.623790E+03 -0.110161E-08 0.100000E-04    0.992484E+00
  10    0.140991E-05    0.603652E+03 -0.233563E-08 0.100000E-04    0.992866E+00
  11   -0.972850E-06    0.589669E+03  0.164982E-08 0.100000E-04    0.997008E+00
  12    0.289385E-05    0.564468E+03 -0.512669E-08 0.100000E-04    0.998911E+00
  13    0.169718E-05    0.562320E+03 -0.301817E-08 0.100000E-04    0.996799E+00
  14   -0.559851E-05    0.478430E+03  0.117018E-07 0.100000E-04    0.998030E+00
  15    0.169024E-05    0.469876E+03 -0.359722E-08 0.100000E-04    0.995729E+00
  16    0.147604E-05    0.463166E+03 -0.318685E-08 0.100000E-04    0.984435E+00
  17    0.132765E-05    0.441466E+03 -0.300736E-08 0.100000E-04    0.981108E+00
  18    0.333545E-05    0.431515E+03 -0.772963E-08 0.100000E-04    0.997229E+00
  19    0.703871E-05    0.420507E+03 -0.167386E-07 0.100000E-04    0.993270E+00
  20    0.809174E-05    0.405893E+03 -0.199357E-07 0.100000E-04    0.996426E+00
  21    0.485389E-05    0.398306E+03 -0.121863E-07 0.100000E-04    0.993498E+00
  22    0.251768E-07    0.388465E+03 -0.648109E-10 0.100000E-04    0.134746E+02
  23   -0.187911E-05    0.366980E+03  0.512046E-08 0.100000E-04    0.998348E+00
  24    0.189082E-05    0.363761E+03 -0.519798E-08 0.100000E-04    0.999048E+00
  25   -0.855361E-05    0.352504E+03  0.242653E-07 0.100000E-04    0.993840E+00
  26   -0.131265E-04    0.342799E+03  0.382922E-07 0.100000E-04    0.992389E+00
  27   -0.690851E-05    0.324231E+03  0.213074E-07 0.100000E-04    0.994841E+00
  28   -0.511124E-05    0.322559E+03  0.158459E-07 0.100000E-04    0.994448E+00
  29   -0.787866E-05    0.318497E+03  0.247370E-07 0.100000E-04    0.997551E+00
  30   -0.689017E-05    0.316977E+03  0.217371E-07 0.100000E-04    0.982146E+00
  31   -0.229162E-05    0.305313E+03  0.750580E-08 0.100000E-04    0.991058E+00
  32   -0.464852E-06    0.287371E+03  0.161760E-08 0.100000E-04    0.951805E+00
  33    0.446467E-05    0.279868E+03 -0.159528E-07 0.100000E-04    0.991944E+00
  34    0.209411E-05    0.271406E+03 -0.771581E-08 0.100000E-04    0.985550E+00
  35    0.130323E-04    0.265767E+03 -0.490368E-07 0.100000E-04    0.994312E+00
  36    0.251791E-05    0.262271E+03 -0.960041E-08 0.100000E-04    0.983445E+00
  37   -0.578477E-05    0.257745E+03  0.224437E-07 0.100000E-04    0.992441E+00
  38   -0.297987E-05    0.253421E+03  0.117586E-07 0.100000E-04    0.998099E+00
  39   -0.957560E-05    0.243790E+03  0.392781E-07 0.100000E-04    0.992849E+00
  40    0.488816E-05    0.239247E+03 -0.204315E-07 0.100000E-04    0.987462E+00
  41    0.603879E-05    0.234447E+03 -0.257576E-07 0.100000E-04    0.986399E+00
  42   -0.266031E-05    0.228549E+03  0.116400E-07 0.100000E-04    0.989883E+00
  43    0.219163E-05    0.224342E+03 -0.976914E-08 0.100000E-04    0.992847E+00
  44   -0.302752E-05    0.212711E+03  0.142330E-07 0.100000E-04    0.987988E+00
  45    0.363778E-05    0.211238E+03 -0.172212E-07 0.100000E-04    0.997167E+00
  46    0.588672E-05    0.209645E+03 -0.280794E-07 0.100000E-04    0.991440E+00
  47   -0.139633E-04    0.202955E+03  0.687999E-07 0.100000E-04    0.993527E+00
  48   -0.738129E-06    0.198482E+03  0.371887E-08 0.100000E-04    0.981658E+00
  49    0.763749E-05    0.195405E+03 -0.390855E-07 0.100000E-04    0.992147E+00
  50    0.557080E-05    0.191624E+03 -0.290716E-07 0.100000E-04    0.990676E+00
  51   -0.542324E-05    0.186277E+03  0.291138E-07 0.100000E-04    0.994831E+00
  52    0.373660E-06    0.177894E+03 -0.210047E-08 0.100000E-04    0.992471E+00
  53   -0.562533E-05    0.170742E+03  0.329464E-07 0.100000E-04    0.995979E+00
  54   -0.296229E-05    0.168091E+03  0.176231E-07 0.100000E-04    0.989580E+00
  55    0.108996E-04    0.165725E+03 -0.657693E-07 0.100000E-04    0.994425E+00
  56   -0.392934E-05    0.160537E+03  0.244762E-07 0.100000E-04    0.991427E+00
  57    0.182354E-05    0.153631E+03 -0.118696E-07 0.100000E-04    0.995549E+00
  58    0.864145E-05    0.151035E+03 -0.572149E-07 0.100000E-04    0.992143E+00
  59    0.550155E-05    0.148715E+03 -0.369940E-07 0.100000E-04    0.997651E+00
  60    0.913355E-05    0.142644E+03 -0.640304E-07 0.100000E-04    0.995610E+00
  61    0.699211E-05    0.136918E+03 -0.510679E-07 0.100000E-04    0.990309E+00
  62    0.203024E-04    0.134795E+03 -0.150617E-06 0.100000E-04    0.994244E+00
  63    0.131367E-04    0.130994E+03 -0.100285E-06 0.100000E-04    0.992377E+00
  64    0.311240E-05    0.127677E+03 -0.243772E-07 0.100000E-04    0.988122E+00
  65   -0.117800E-05    0.125789E+03  0.936483E-08 0.100000E-04    0.994805E+00
  66   -0.143967E-04    0.124715E+03  0.115437E-06 0.100000E-04    0.992554E+00
  67    0.111270E-05    0.119430E+03 -0.931676E-08 0.100000E-04    0.997494E+00
  68    0.396661E-05    0.117948E+03 -0.336301E-07 0.100000E-04    0.991646E+00
  69    0.202716E-07    0.116466E+03 -0.174055E-09 0.100000E-04    0.436618E+00
  70   -0.728094E-05    0.112497E+03  0.647210E-07 0.100000E-04    0.991375E+00
  71    0.240517E-06    0.110027E+03 -0.218598E-08 0.100000E-04    0.916437E+00
  72   -0.181618E-04    0.105491E+03  0.172164E-06 0.100000E-04    0.990279E+00
  73   -0.716056E-05    0.102831E+03  0.696341E-07 0.100000E-04    0.988318E+00
  74   -0.207135E-04    0.100423E+03  0.206261E-06 0.100000E-04    0.993254E+00
  75   -0.143055E-04    0.971947E+02  0.147184E-06 0.100000E-04    0.990430E+00
  76   -0.172778E-04    0.950605E+02  0.181756E-06 0.100000E-04    0.992950E+00
  77    0.819493E-06    0.911877E+02 -0.898688E-08 0.100000E-04    0.982328E+00
  78   -0.322439E-04    0.907222E+02  0.355413E-06 0.100000E-04    0.993334E+00
  79    0.302608E-04    0.883930E+02 -0.342344E-06 0.100000E-04    0.996473E+00
  80    0.811582E-05    0.844935E+02 -0.960526E-07 0.100000E-04    0.991506E+00
  81    0.953718E-05    0.808839E+02 -0.117912E-06 0.100000E-04    0.992033E+00
  82   -0.149357E-04    0.791591E+02  0.188680E-06 0.100000E-04    0.996761E+00
  83   -0.819582E-05    0.786659E+02  0.104185E-06 0.100000E-04    0.998763E+00
  84   -0.121193E-04    0.729676E+02  0.166091E-06 0.100000E-04    0.988777E+00
  85    0.224375E-04    0.713956E+02 -0.314270E-06 0.100000E-04    0.992309E+00
  86    0.284434E-04    0.692199E+02 -0.410914E-06 0.100000E-04    0.994475E+00
  87   -0.440114E-05    0.677404E+02  0.649708E-07 0.100000E-04    0.986191E+00
  88   -0.457289E-06    0.634748E+02  0.720426E-08 0.100000E-04    0.845224E+00
  89   -0.254234E-04    0.621177E+02  0.409278E-06 0.100000E-04    0.992805E+00
  90   -0.120714E-04    0.596577E+02  0.202344E-06 0.100000E-04    0.989265E+00
  91   -0.627170E-06    0.586361E+02  0.106960E-07 0.100000E-04    0.970050E+00
  92    0.285926E-04    0.558273E+02 -0.512162E-06 0.100000E-04    0.992581E+00
  93   -0.336461E-04    0.535973E+02  0.627757E-06 0.100000E-04    0.995047E+00
  94    0.168879E-04    0.522797E+02 -0.323030E-06 0.100000E-04    0.988826E+00
  95   -0.316380E-04    0.503032E+02  0.628947E-06 0.100000E-04    0.996011E+00
  96   -0.887769E-05    0.480032E+02  0.184940E-06 0.100000E-04    0.998488E+00
  97    0.203330E-04    0.435603E+02 -0.466778E-06 0.100000E-04    0.991838E+00
  98    0.145837E-04    0.398711E+02 -0.365771E-06 0.100000E-04    0.993659E+00
  99    0.312473E-04    0.373433E+02 -0.836757E-06 0.100000E-04    0.983303E+00
 100   -0.310844E-04    0.362045E+02  0.858576E-06 0.100000E-04    0.996905E+00
 101    0.940781E-04    0.349015E+02 -0.269553E-05 0.100000E-04    0.994792E+00
 102   -0.398517E-04    0.293665E+02  0.135705E-05 0.100000E-04    0.989079E+00
 103   -0.304383E-04    0.289591E+02  0.105108E-05 0.100000E-04    0.995856E+00
 104    0.395263E-04    0.287225E+02 -0.137614E-05 0.100000E-04    0.994174E+00
 105   -0.208281E-04    0.233375E+02  0.892476E-06 0.100000E-04    0.991214E+00
 106   -0.265076E-05    0.219150E+02  0.120956E-06 0.100000E-04    0.925663E+00
 107    0.952528E-04    0.195936E+02 -0.486143E-05 0.100000E-04    0.993141E+00
 108   -0.833683E-04    0.166830E+02  0.499719E-05 0.100000E-04    0.997699E+00
 109    0.665995E-04    0.138381E+02 -0.481277E-05 0.100000E-04    0.996515E+00
 110    0.662563E-04    0.125326E+02 -0.528673E-05 0.100000E-04    0.981618E+00
 111    0.112530E-03    0.113386E+02 -0.992453E-05 0.100000E-04    0.996718E+00
 112    0.189078E-04    0.945191E+01 -0.200043E-05 0.100000E-04    0.976722E+00
 113   -0.466285E-02    0.760196E+01  0.121473E-04 0.121473E-04    0.364339E-01
 114    0.266647E+00    0.481446E+01  0.400000E-03 0.400000E-03    0.159229E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5521562690E-01

 Beginning of optimization cycle  120.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3955202744
 potential> RMS force:                                               0.0251577418   |gradient|=.2686111777    
 Eigenvalues of the Hessian matrix:
   720.68907    670.95666    623.81104    603.66576    589.66765    564.48918 
   562.35832    478.44647    469.85305    463.15447    441.46334    431.50456 
   420.51475    405.90338    398.30204    388.46965    366.98199    363.75067 
   352.49416    342.75930    324.23628    322.53929    318.48719    316.99076 
   305.31028    287.37368    279.86400    271.39936    265.76664    262.27936 
   257.74892    253.42235    243.77673    239.23460    234.45803    228.55120 
   224.32350    212.70938    211.24283    209.63417    202.95735    198.47762 
   195.40746    191.62325    186.27074    177.87905    170.74434    168.08907 
   165.72338    160.53346    153.62733    151.03418    148.72122    142.64791 
   136.91844    134.80030    130.99261    127.67592    125.79284    124.72204 
   119.43055    117.94799    116.47017    112.48989    110.01873    105.48712 
   102.83163    100.41904     97.19293     95.06137     91.18149     90.72870 
    88.40471     84.49495     80.88394     79.16257     78.66392     72.96483 
    71.39877     69.21082     67.74348     63.47273     62.11082     59.65758 
    58.63914     55.82764     53.59476     52.27849     50.30310     48.00244 
    43.55574     39.87394     37.33614     36.20497     34.90879     29.35754 
    28.95764     28.72288     23.33249     21.91577     19.59457     16.68545 
    13.83679     12.52927     11.32806      9.45377      7.60243      4.81440 
overlap for current and previous eigenvector    109 is         0.9999970642
overlap for current and previous eigenvector    110 is        -0.9999938108
overlap for current and previous eigenvector    111 is         0.9999908502
overlap for current and previous eigenvector    112 is         0.9999994721
overlap for current and previous eigenvector    113 is        -0.9999992045
overlap for current and previous eigenvector    114 is         0.9999993645
J1,K1,R1,R2,RAT=   7   7   -0.1555457261         2.155380395        0.8444542739    
FOB,PFOB,DIAG,PSTEP=   -0.5466896454E-07   -0.4730955681E-07     720.6890744        0.6565031952E-10
J1,K1,R1,R2,RAT=   8   8   -0.2431840236E-01     2.024268446        0.9756815976    
FOB,PFOB,DIAG,PSTEP=   -0.1006504730E-05   -0.9826086601E-06     670.9566596        0.1464525600E-08
J1,K1,R1,R2,RAT=   9   9   -0.1238903456E-01     2.012322474        0.9876109654    
FOB,PFOB,DIAG,PSTEP=    0.6956864472E-06    0.6871727569E-06     623.8110423       -0.1101608629E-08
J1,K1,R1,R2,RAT=  10  10    0.1483466263E-02     1.998470153        0.9984701525    
FOB,PFOB,DIAG,PSTEP=    0.1407818411E-05    0.1409910014E-05     603.6657585       -0.2335634731E-08
J1,K1,R1,R2,RAT=  11  11    0.2225577639E-03     1.999780944        0.9997774422    
FOB,PFOB,DIAG,PSTEP=   -0.9726332547E-06   -0.9728497696E-06     589.6676467        0.1649824392E-08
J1,K1,R1,R2,RAT= 109 109   -0.3729849223E-02     2.003915137        0.9962701508    
FOB,PFOB,DIAG,PSTEP=    0.6684788606E-04    0.6659950297E-04     13.83678701       -0.4812774341E-05
J1,K1,R1,R2,RAT= 110 110     2.011469354       -0.1094261523E-01    0.9890573848    
FOB,PFOB,DIAG,PSTEP=   -0.6698114440E-04    0.6625631790E-04     12.52926691       -0.5286731705E-05
J1,K1,R1,R2,RAT= 111 111   -0.7448314184E-02     2.009301584        0.9925516858    
FOB,PFOB,DIAG,PSTEP=    0.1133672095E-03    0.1125298279E-03     11.32805816       -0.9924529757E-05
J1,K1,R1,R2,RAT= 112 112    0.7112239865E-02     1.992495566        0.9924955660    
FOB,PFOB,DIAG,PSTEP=    0.1877334280E-04    0.1890784631E-04     9.453768102       -0.2000425080E-05
J1,K1,R1,R2,RAT= 113 113     101.7870999       -0.8033573958        0.1966426042    
FOB,PFOB,DIAG,PSTEP=    0.4737043504E-02   -0.4662854558E-02     7.602425349        0.1214725752E-04
J1,K1,R1,R2,RAT= 114 114    0.9983958797        -277.9243030        0.1604120287E-02
FOB,PFOB,DIAG,PSTEP=    0.2685692810        0.2666466088         4.814403455        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00000      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00002     -0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000      0.00000     -0.00001      0.00000     -0.00002 
     0.00001     -0.00002     -0.00001      0.00002     -0.00000      0.00003 
    -0.00003     -0.00001      0.00001     -0.00001      0.00001      0.00001 
     0.00002     -0.00003      0.00000      0.00000      0.00003      0.00001 
     0.00000      0.00003     -0.00003      0.00002      0.00003     -0.00001 
    -0.00002      0.00001     -0.00003      0.00003      0.00009     -0.00004 
    -0.00003     -0.00004     -0.00002      0.00000     -0.00010      0.00008 
     0.00007     -0.00007      0.00011      0.00002      0.00474      0.26857 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4380325606
 Log product of positive Hessian eigenvalues =          520.4036301864
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8144034552
 Unscaled step for mode    7=        0.0000000001
 Unscaled step for mode    8=        0.0000000015
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000052
 Unscaled step for mode   13=       -0.0000000030
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000032
 Unscaled step for mode   17=       -0.0000000030
 Unscaled step for mode   18=       -0.0000000078
 Unscaled step for mode   19=       -0.0000000168
 Unscaled step for mode   20=       -0.0000000200
 Unscaled step for mode   21=       -0.0000000122
 Unscaled step for mode   22=       -0.0000000001
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000244
 Unscaled step for mode   26=        0.0000000386
 Unscaled step for mode   27=        0.0000000214
 Unscaled step for mode   28=        0.0000000158
 Unscaled step for mode   29=        0.0000000249
 Unscaled step for mode   30=        0.0000000221
 Unscaled step for mode   31=        0.0000000076
 Unscaled step for mode   32=        0.0000000017
 Unscaled step for mode   33=       -0.0000000160
 Unscaled step for mode   34=       -0.0000000078
 Unscaled step for mode   35=       -0.0000000494
 Unscaled step for mode   36=       -0.0000000097
 Unscaled step for mode   37=        0.0000000226
 Unscaled step for mode   38=        0.0000000118
 Unscaled step for mode   39=        0.0000000395
 Unscaled step for mode   40=       -0.0000000207
 Unscaled step for mode   41=       -0.0000000261
 Unscaled step for mode   42=        0.0000000118
 Unscaled step for mode   43=       -0.0000000099
 Unscaled step for mode   44=        0.0000000146
 Unscaled step for mode   45=       -0.0000000172
 Unscaled step for mode   46=       -0.0000000285
 Unscaled step for mode   47=        0.0000000694
 Unscaled step for mode   48=        0.0000000036
 Unscaled step for mode   49=       -0.0000000395
 Unscaled step for mode   50=       -0.0000000292
 Unscaled step for mode   51=        0.0000000294
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=       -0.0000000332
 Unscaled step for mode   54=        0.0000000179
 Unscaled step for mode   55=        0.0000000662
 Unscaled step for mode   56=       -0.0000000246
 Unscaled step for mode   57=        0.0000000120
 Unscaled step for mode   58=       -0.0000000576
 Unscaled step for mode   59=       -0.0000000373
 Unscaled step for mode   60=        0.0000000646
 Unscaled step for mode   61=       -0.0000000514
 Unscaled step for mode   62=       -0.0000001514
 Unscaled step for mode   63=        0.0000001007
 Unscaled step for mode   64=       -0.0000000247
 Unscaled step for mode   65=        0.0000000091
 Unscaled step for mode   66=        0.0000001161
 Unscaled step for mode   67=       -0.0000000095
 Unscaled step for mode   68=       -0.0000000339
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=        0.0000000656
 Unscaled step for mode   71=       -0.0000000023
 Unscaled step for mode   72=        0.0000001733
 Unscaled step for mode   73=       -0.0000000705
 Unscaled step for mode   74=        0.0000002073
 Unscaled step for mode   75=        0.0000001490
 Unscaled step for mode   76=       -0.0000001831
 Unscaled step for mode   77=        0.0000000096
 Unscaled step for mode   78=       -0.0000003586
 Unscaled step for mode   79=        0.0000003432
 Unscaled step for mode   80=        0.0000000970
 Unscaled step for mode   81=       -0.0000001187
 Unscaled step for mode   82=        0.0000001889
 Unscaled step for mode   83=       -0.0000001047
 Unscaled step for mode   84=       -0.0000001673
 Unscaled step for mode   85=       -0.0000003158
 Unscaled step for mode   86=        0.0000004131
 Unscaled step for mode   87=       -0.0000000634
 Unscaled step for mode   88=       -0.0000000073
 Unscaled step for mode   89=       -0.0000004118
 Unscaled step for mode   90=       -0.0000002032
 Unscaled step for mode   91=       -0.0000000104
 Unscaled step for mode   92=       -0.0000005169
 Unscaled step for mode   93=        0.0000006294
 Unscaled step for mode   94=       -0.0000003252
 Unscaled step for mode   95=       -0.0000006304
 Unscaled step for mode   96=        0.0000001861
 Unscaled step for mode   97=        0.0000004693
 Unscaled step for mode   98=       -0.0000003681
 Unscaled step for mode   99=        0.0000008460
 Unscaled step for mode  100=       -0.0000008594
 Unscaled step for mode  101=       -0.0000027083
 Unscaled step for mode  102=        0.0000013643
 Unscaled step for mode  103=        0.0000010540
 Unscaled step for mode  104=        0.0000013781
 Unscaled step for mode  105=        0.0000009023
 Unscaled step for mode  106=       -0.0000001107
 Unscaled step for mode  107=        0.0000048831
 Unscaled step for mode  108=       -0.0000049938
 Unscaled step for mode  109=       -0.0000048312
 Unscaled step for mode  110=        0.0000053460
 Unscaled step for mode  111=       -0.0000100076
 Unscaled step for mode  112=       -0.0000019858
 Unscaled step for mode  113=       -0.0006230961
 Unscaled step for mode  114=        0.0556120151
 Largest modulus ratio of non-zero e/values=           149.6943663    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.226381E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.555328E-15    0.100763E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.587150E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.571269E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.115793E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.105872E-15    0.973547E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.546690E-07    0.720689E+03  0.758565E-10 0.100000E-04    0.844454E+00
   8   -0.100650E-05    0.670957E+03  0.150010E-08 0.100000E-04    0.975682E+00
   9    0.695686E-06    0.623811E+03 -0.111522E-08 0.100000E-04    0.987611E+00
  10    0.140782E-05    0.603666E+03 -0.233212E-08 0.100000E-04    0.998470E+00
  11   -0.972633E-06    0.589668E+03  0.164946E-08 0.100000E-04    0.999777E+00
  12    0.290893E-05    0.564489E+03 -0.515320E-08 0.100000E-04    0.994793E+00
  13    0.167316E-05    0.562358E+03 -0.297526E-08 0.100000E-04    0.985713E+00
  14   -0.560304E-05    0.478446E+03  0.117109E-07 0.100000E-04    0.999191E+00
  15    0.170072E-05    0.469853E+03 -0.361969E-08 0.100000E-04    0.993800E+00
  16    0.148719E-05    0.463154E+03 -0.321101E-08 0.100000E-04    0.992444E+00
  17    0.133395E-05    0.441463E+03 -0.302166E-08 0.100000E-04    0.995248E+00
  18    0.335373E-05    0.431505E+03 -0.777219E-08 0.100000E-04    0.994517E+00
  19    0.708003E-05    0.420515E+03 -0.168366E-07 0.100000E-04    0.994130E+00
  20    0.810639E-05    0.405903E+03 -0.199712E-07 0.100000E-04    0.998190E+00
  21    0.487816E-05    0.398302E+03 -0.122474E-07 0.100000E-04    0.995000E+00
  22    0.434491E-07    0.388470E+03 -0.111847E-09 0.100000E-04    0.274246E+00
  23   -0.187213E-05    0.366982E+03  0.510141E-08 0.100000E-04    0.996276E+00
  24    0.189034E-05    0.363751E+03 -0.519679E-08 0.100000E-04    0.999744E+00
  25   -0.861025E-05    0.352494E+03  0.244266E-07 0.100000E-04    0.993379E+00
  26   -0.132236E-04    0.342759E+03  0.385800E-07 0.100000E-04    0.992600E+00
  27   -0.695413E-05    0.324236E+03  0.214477E-07 0.100000E-04    0.993397E+00
  28   -0.508792E-05    0.322539E+03  0.157746E-07 0.100000E-04    0.995437E+00
  29   -0.792160E-05    0.318487E+03  0.248726E-07 0.100000E-04    0.994550E+00
  30   -0.701321E-05    0.316991E+03  0.221243E-07 0.100000E-04    0.982144E+00
  31   -0.233101E-05    0.305310E+03  0.763489E-08 0.100000E-04    0.982810E+00
  32   -0.479253E-06    0.287374E+03  0.166770E-08 0.100000E-04    0.969019E+00
  33    0.449079E-05    0.279864E+03 -0.160463E-07 0.100000E-04    0.994150E+00
  34    0.210467E-05    0.271399E+03 -0.775489E-08 0.100000E-04    0.994959E+00
  35    0.131268E-04    0.265767E+03 -0.493924E-07 0.100000E-04    0.992748E+00
  36    0.255036E-05    0.262279E+03 -0.972384E-08 0.100000E-04    0.987112E+00
  37   -0.583383E-05    0.257749E+03  0.226338E-07 0.100000E-04    0.991519E+00
  38   -0.300203E-05    0.253422E+03  0.118459E-07 0.100000E-04    0.992564E+00
  39   -0.963393E-05    0.243777E+03  0.395195E-07 0.100000E-04    0.993908E+00
  40    0.496233E-05    0.239235E+03 -0.207425E-07 0.100000E-04    0.984826E+00
  41    0.611832E-05    0.234458E+03 -0.260956E-07 0.100000E-04    0.986830E+00
  42   -0.269106E-05    0.228551E+03  0.117744E-07 0.100000E-04    0.988442E+00
  43    0.222400E-05    0.224324E+03 -0.991426E-08 0.100000E-04    0.985228E+00
  44   -0.311590E-05    0.212709E+03  0.146486E-07 0.100000E-04    0.970809E+00
  45    0.364343E-05    0.211243E+03 -0.172476E-07 0.100000E-04    0.998447E+00
  46    0.596766E-05    0.209634E+03 -0.284670E-07 0.100000E-04    0.986250E+00
  47   -0.140840E-04    0.202957E+03  0.693938E-07 0.100000E-04    0.991354E+00
  48   -0.723072E-06    0.198478E+03  0.364309E-08 0.100000E-04    0.979601E+00
  49    0.771574E-05    0.195407E+03 -0.394854E-07 0.100000E-04    0.989754E+00
  50    0.558853E-05    0.191623E+03 -0.291641E-07 0.100000E-04    0.996818E+00
  51   -0.547426E-05    0.186271E+03  0.293887E-07 0.100000E-04    0.990593E+00
  52    0.368408E-06    0.177879E+03 -0.207111E-08 0.100000E-04    0.985942E+00
  53    0.566446E-05    0.170744E+03 -0.331751E-07 0.100000E-04    0.993043E+00
  54   -0.300966E-05    0.168089E+03  0.179051E-07 0.100000E-04    0.984009E+00
  55   -0.109736E-04    0.165723E+03  0.662165E-07 0.100000E-04    0.993207E+00
  56    0.394158E-05    0.160533E+03 -0.245530E-07 0.100000E-04    0.996886E+00
  57   -0.184499E-05    0.153627E+03  0.120095E-07 0.100000E-04    0.988235E+00
  58    0.869564E-05    0.151034E+03 -0.575740E-07 0.100000E-04    0.993730E+00
  59    0.554946E-05    0.148721E+03 -0.373145E-07 0.100000E-04    0.991293E+00
  60   -0.922116E-05    0.142648E+03  0.646428E-07 0.100000E-04    0.990408E+00
  61    0.703872E-05    0.136918E+03 -0.514081E-07 0.100000E-04    0.993333E+00
  62    0.204071E-04    0.134800E+03 -0.151388E-06 0.100000E-04    0.994846E+00
  63   -0.131973E-04    0.130993E+03  0.100749E-06 0.100000E-04    0.995387E+00
  64    0.315930E-05    0.127676E+03 -0.247447E-07 0.100000E-04    0.984931E+00
  65   -0.114967E-05    0.125793E+03  0.913938E-08 0.100000E-04    0.975898E+00
  66   -0.144817E-04    0.124722E+03  0.116112E-06 0.100000E-04    0.994097E+00
  67    0.113137E-05    0.119431E+03 -0.947300E-08 0.100000E-04    0.983226E+00
  68    0.399547E-05    0.117948E+03 -0.338749E-07 0.100000E-04    0.992722E+00
  69    0.517878E-08    0.116470E+03 -0.444644E-10 0.100000E-04    0.255430E+00
  70   -0.737478E-05    0.112490E+03  0.655595E-07 0.100000E-04    0.987110E+00
  71    0.250577E-06    0.110019E+03 -0.227758E-08 0.100000E-04    0.958173E+00
  72   -0.182830E-04    0.105487E+03  0.173320E-06 0.100000E-04    0.993326E+00
  73    0.725324E-05    0.102832E+03 -0.705351E-07 0.100000E-04    0.987057E+00
  74   -0.208156E-04    0.100419E+03  0.207287E-06 0.100000E-04    0.995070E+00
  75   -0.144777E-04    0.971929E+02  0.148958E-06 0.100000E-04    0.987968E+00
  76    0.174073E-04    0.950614E+02 -0.183116E-06 0.100000E-04    0.992509E+00
  77   -0.877732E-06    0.911815E+02  0.962620E-08 0.100000E-04    0.928928E+00
  78    0.325313E-04    0.907287E+02 -0.358555E-06 0.100000E-04    0.991088E+00
  79   -0.303379E-04    0.884047E+02  0.343170E-06 0.100000E-04    0.997453E+00
  80   -0.819699E-05    0.844950E+02  0.970116E-07 0.100000E-04    0.989999E+00
  81    0.959893E-05    0.808839E+02 -0.118675E-06 0.100000E-04    0.993525E+00
  82   -0.149534E-04    0.791626E+02  0.188895E-06 0.100000E-04    0.998818E+00
  83    0.823900E-05    0.786639E+02 -0.104737E-06 0.100000E-04    0.994730E+00
  84    0.122084E-04    0.729648E+02 -0.167319E-06 0.100000E-04    0.992646E+00
  85    0.225507E-04    0.713988E+02 -0.315842E-06 0.100000E-04    0.994956E+00
  86   -0.285931E-04    0.692108E+02  0.413130E-06 0.100000E-04    0.994737E+00
  87    0.429386E-05    0.677435E+02 -0.633842E-07 0.100000E-04    0.975535E+00
  88    0.466114E-06    0.634727E+02 -0.734353E-08 0.100000E-04    0.980701E+00
  89    0.255753E-04    0.621108E+02 -0.411768E-06 0.100000E-04    0.994025E+00
  90    0.121216E-04    0.596576E+02 -0.203187E-06 0.100000E-04    0.995838E+00
  91    0.607997E-06    0.586391E+02 -0.103684E-07 0.100000E-04    0.969326E+00
  92    0.288562E-04    0.558276E+02 -0.516880E-06 0.100000E-04    0.990780E+00
  93   -0.337349E-04    0.535948E+02  0.629445E-06 0.100000E-04    0.997359E+00
  94    0.170024E-04    0.522785E+02 -0.325228E-06 0.100000E-04    0.993219E+00
  95    0.317096E-04    0.503031E+02 -0.630370E-06 0.100000E-04    0.997738E+00
  96   -0.893254E-05    0.480024E+02  0.186085E-06 0.100000E-04    0.993822E+00
  97   -0.204387E-04    0.435557E+02  0.469253E-06 0.100000E-04    0.994801E+00
  98    0.146759E-04    0.398739E+02 -0.368057E-06 0.100000E-04    0.993681E+00
  99   -0.315872E-04    0.373361E+02  0.846021E-06 0.100000E-04    0.989121E+00
 100    0.311155E-04    0.362050E+02 -0.859427E-06 0.100000E-04    0.998997E+00
 101    0.945441E-04    0.349088E+02 -0.270832E-05 0.100000E-04    0.995048E+00
 102   -0.400521E-04    0.293575E+02  0.136429E-05 0.100000E-04    0.994969E+00
 103   -0.305227E-04    0.289576E+02  0.105405E-05 0.100000E-04    0.997225E+00
 104   -0.395831E-04    0.287229E+02  0.137810E-05 0.100000E-04    0.998562E+00
 105   -0.210539E-04    0.233325E+02  0.902343E-06 0.100000E-04    0.989157E+00
 106    0.242522E-05    0.219158E+02 -0.110661E-06 0.100000E-04    0.914849E+00
 107   -0.956830E-04    0.195946E+02  0.488314E-05 0.100000E-04    0.995485E+00
 108    0.833244E-04    0.166854E+02 -0.499384E-05 0.100000E-04    0.999185E+00
 109    0.668479E-04    0.138368E+02 -0.483117E-05 0.100000E-04    0.996270E+00
 110   -0.669811E-04    0.125293E+02  0.534597E-05 0.100000E-04    0.989057E+00
 111    0.113367E-03    0.113281E+02 -0.100000E-04 0.100000E-04    0.992552E+00
 112    0.187733E-04    0.945377E+01 -0.198581E-05 0.100000E-04    0.992496E+00
 113    0.473704E-02    0.760243E+01 -0.132405E-04 0.132405E-04    0.196643E+00
 114    0.268569E+00    0.481440E+01  0.400000E-03 0.400000E-03    0.160412E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5561201514E-01

 Beginning of optimization cycle  121.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3954125253
 potential> RMS force:                                               0.0253378926   |gradient|=.2705346615    
 Eigenvalues of the Hessian matrix:
   720.74861    670.97329    623.83168    603.67975    589.66644    564.50992 
   562.39695    478.46319    469.83045    463.14341    441.46094    431.49444 
   420.52260    405.91425    398.29829    388.47381    366.98384    363.74028 
   352.48490    342.71980    324.24206    322.52030    318.47723    317.00385 
   305.30780    287.37620    279.85992    271.39297    265.76684    262.28786 
   257.75268    253.42397    243.76385    239.22267    234.46929    228.55379 
   224.30482    212.70757    211.24763    209.62302    202.95996    198.47304 
   195.41008    191.62278    186.26413    177.86430    170.74695    168.08697 
   165.72210    160.52961    153.62323    151.03332    148.72765    142.65186 
   136.91892    134.80520    130.99155    127.67535    125.79629    124.72895 
   119.43106    117.94769    116.47386    112.48253    110.00992    105.48324 
   102.83214    100.41469     97.19111     95.06223     91.17534     90.73523 
    88.41640     84.49639     80.88396     79.16609     78.66190     72.96203 
    71.40185     69.20174     67.74650     63.47073     62.10384     59.65746 
    58.64220     55.82798     53.59219     52.27730     50.30300     48.00163 
    43.55121     39.87672     37.32900     36.20528     34.91606     29.34860 
    28.95622     28.72320     23.32754     21.91654     19.59558     16.68782 
    13.83552     12.52601     11.31749      9.45562      7.60286      4.81431 
overlap for current and previous eigenvector    109 is         0.9999971024
overlap for current and previous eigenvector    110 is        -0.9999939324
overlap for current and previous eigenvector    111 is         0.9999909740
overlap for current and previous eigenvector    112 is         0.9999994641
overlap for current and previous eigenvector    113 is        -0.9999992013
overlap for current and previous eigenvector    114 is         0.9999993682
J1,K1,R1,R2,RAT=   7   7   -0.1331591708         2.132993975        0.8668408292    
FOB,PFOB,DIAG,PSTEP=   -0.6194923987E-07   -0.5466896454E-07     720.7486069        0.7585651911E-10
J1,K1,R1,R2,RAT=   8   8   -0.2469312303E-01     2.024643553        0.9753068770    
FOB,PFOB,DIAG,PSTEP=   -0.1031359091E-05   -0.1006504730E-05     670.9732898        0.1500103942E-08
J1,K1,R1,R2,RAT=   9   9   -0.1256340641E-01     2.012497257        0.9874365936    
FOB,PFOB,DIAG,PSTEP=    0.7044269279E-06    0.6956864472E-06     623.8316754       -0.1115219834E-08
J1,K1,R1,R2,RAT=  10  10    0.1807914208E-02     1.998145740        0.9981457399    
FOB,PFOB,DIAG,PSTEP=    0.1405273138E-05    0.1407818411E-05     603.6797476       -0.2332115731E-08
J1,K1,R1,R2,RAT=  11  11    0.8056183341E-03     1.999198489        0.9991943817    
FOB,PFOB,DIAG,PSTEP=   -0.9718496852E-06   -0.9726332547E-06     589.6664358        0.1649460099E-08
J1,K1,R1,R2,RAT= 109 109   -0.4012572512E-02     2.004196205        0.9959874275    
FOB,PFOB,DIAG,PSTEP=    0.6711609343E-04    0.6684788606E-04     13.83551669       -0.4831171138E-05
J1,K1,R1,R2,RAT= 110 110     2.010383650       -0.9863228458E-02    0.9901367715    
FOB,PFOB,DIAG,PSTEP=    0.6764162287E-04   -0.6698114440E-04     12.52600751        0.5345974738E-05
J1,K1,R1,R2,RAT= 111 111   -0.8998533315E-02     2.012396788        0.9910014667    
FOB,PFOB,DIAG,PSTEP=    0.1143856177E-03    0.1133672095E-03     11.31749109       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.5932527585E-02     1.993674892        0.9936748919    
FOB,PFOB,DIAG,PSTEP=    0.1866194756E-04    0.1877334280E-04     9.455624148       -0.1985805300E-05
J1,K1,R1,R2,RAT= 113 113     94.77141637       -0.6570729826        0.3429270174    
FOB,PFOB,DIAG,PSTEP=   -0.4803188221E-02    0.4737043504E-02     7.602856887       -0.1324051070E-04
J1,K1,R1,R2,RAT= 114 114    0.9983859635        -279.9267665        0.1614036483E-02
FOB,PFOB,DIAG,PSTEP=    0.2704918950        0.2685692810         4.814305388        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00001      0.00001 
    -0.00001      0.00002      0.00001      0.00000     -0.00000     -0.00001 
     0.00000      0.00000     -0.00000     -0.00001     -0.00000      0.00002 
     0.00001      0.00002     -0.00001      0.00002      0.00000     -0.00003 
    -0.00003     -0.00001      0.00001      0.00001      0.00001      0.00001 
    -0.00002     -0.00003      0.00000      0.00000      0.00003     -0.00001 
    -0.00000     -0.00003      0.00003     -0.00002     -0.00003     -0.00001 
     0.00002     -0.00001     -0.00003      0.00003      0.00009     -0.00004 
    -0.00003      0.00004     -0.00002     -0.00000      0.00010     -0.00008 
     0.00007      0.00007      0.00011      0.00002     -0.00480      0.27049 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4380664533
 Log product of positive Hessian eigenvalues =          520.4018644414
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8143053882
 Unscaled step for mode    7=        0.0000000001
 Unscaled step for mode    8=        0.0000000015
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=       -0.0000000052
 Unscaled step for mode   13=       -0.0000000029
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000032
 Unscaled step for mode   17=       -0.0000000030
 Unscaled step for mode   18=       -0.0000000078
 Unscaled step for mode   19=       -0.0000000169
 Unscaled step for mode   20=       -0.0000000200
 Unscaled step for mode   21=       -0.0000000123
 Unscaled step for mode   22=       -0.0000000002
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000246
 Unscaled step for mode   26=        0.0000000389
 Unscaled step for mode   27=        0.0000000216
 Unscaled step for mode   28=        0.0000000157
 Unscaled step for mode   29=        0.0000000250
 Unscaled step for mode   30=        0.0000000225
 Unscaled step for mode   31=        0.0000000078
 Unscaled step for mode   32=        0.0000000017
 Unscaled step for mode   33=       -0.0000000161
 Unscaled step for mode   34=       -0.0000000078
 Unscaled step for mode   35=       -0.0000000498
 Unscaled step for mode   36=       -0.0000000098
 Unscaled step for mode   37=        0.0000000228
 Unscaled step for mode   38=        0.0000000119
 Unscaled step for mode   39=        0.0000000398
 Unscaled step for mode   40=       -0.0000000211
 Unscaled step for mode   41=       -0.0000000264
 Unscaled step for mode   42=        0.0000000119
 Unscaled step for mode   43=       -0.0000000101
 Unscaled step for mode   44=        0.0000000151
 Unscaled step for mode   45=       -0.0000000173
 Unscaled step for mode   46=       -0.0000000289
 Unscaled step for mode   47=        0.0000000700
 Unscaled step for mode   48=        0.0000000036
 Unscaled step for mode   49=       -0.0000000399
 Unscaled step for mode   50=       -0.0000000292
 Unscaled step for mode   51=        0.0000000297
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000334
 Unscaled step for mode   54=        0.0000000182
 Unscaled step for mode   55=       -0.0000000667
 Unscaled step for mode   56=        0.0000000246
 Unscaled step for mode   57=       -0.0000000121
 Unscaled step for mode   58=       -0.0000000579
 Unscaled step for mode   59=       -0.0000000376
 Unscaled step for mode   60=       -0.0000000653
 Unscaled step for mode   61=        0.0000000517
 Unscaled step for mode   62=       -0.0000001521
 Unscaled step for mode   63=       -0.0000001012
 Unscaled step for mode   64=       -0.0000000251
 Unscaled step for mode   65=        0.0000000089
 Unscaled step for mode   66=        0.0000001168
 Unscaled step for mode   67=       -0.0000000096
 Unscaled step for mode   68=       -0.0000000341
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000664
 Unscaled step for mode   71=        0.0000000024
 Unscaled step for mode   72=       -0.0000001745
 Unscaled step for mode   73=       -0.0000000714
 Unscaled step for mode   74=       -0.0000002083
 Unscaled step for mode   75=        0.0000001508
 Unscaled step for mode   76=       -0.0000001845
 Unscaled step for mode   77=       -0.0000000103
 Unscaled step for mode   78=        0.0000003617
 Unscaled step for mode   79=        0.0000003440
 Unscaled step for mode   80=        0.0000000980
 Unscaled step for mode   81=       -0.0000001194
 Unscaled step for mode   82=       -0.0000001891
 Unscaled step for mode   83=       -0.0000001053
 Unscaled step for mode   84=       -0.0000001685
 Unscaled step for mode   85=        0.0000003174
 Unscaled step for mode   86=        0.0000004153
 Unscaled step for mode   87=       -0.0000000618
 Unscaled step for mode   88=       -0.0000000074
 Unscaled step for mode   89=       -0.0000004142
 Unscaled step for mode   90=        0.0000002039
 Unscaled step for mode   91=        0.0000000100
 Unscaled step for mode   92=        0.0000005216
 Unscaled step for mode   93=       -0.0000006311
 Unscaled step for mode   94=        0.0000003274
 Unscaled step for mode   95=        0.0000006318
 Unscaled step for mode   96=        0.0000001873
 Unscaled step for mode   97=       -0.0000004715
 Unscaled step for mode   98=        0.0000003703
 Unscaled step for mode   99=        0.0000008550
 Unscaled step for mode  100=       -0.0000008603
 Unscaled step for mode  101=       -0.0000027207
 Unscaled step for mode  102=        0.0000013715
 Unscaled step for mode  103=        0.0000010566
 Unscaled step for mode  104=       -0.0000013797
 Unscaled step for mode  105=        0.0000009116
 Unscaled step for mode  106=        0.0000000996
 Unscaled step for mode  107=       -0.0000049031
 Unscaled step for mode  108=        0.0000049915
 Unscaled step for mode  109=       -0.0000048510
 Unscaled step for mode  110=       -0.0000054001
 Unscaled step for mode  111=       -0.0000101070
 Unscaled step for mode  112=       -0.0000019736
 Unscaled step for mode  113=        0.0006317607
 Unscaled step for mode  114=        0.0560087790
 Largest modulus ratio of non-zero e/values=           149.7097813    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.287964E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.344234E-15    0.100763E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.744196E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.974698E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.525474E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.421484E-17    0.973549E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.619492E-07    0.720749E+03  0.859512E-10 0.100000E-04    0.866841E+00
   8   -0.103136E-05    0.670973E+03  0.153711E-08 0.100000E-04    0.975307E+00
   9    0.704427E-06    0.623832E+03 -0.112919E-08 0.100000E-04    0.987437E+00
  10    0.140527E-05    0.603680E+03 -0.232785E-08 0.100000E-04    0.998146E+00
  11   -0.971850E-06    0.589666E+03  0.164813E-08 0.100000E-04    0.999194E+00
  12    0.292397E-05    0.564510E+03 -0.517966E-08 0.100000E-04    0.994828E+00
  13    0.164792E-05    0.562397E+03 -0.293016E-08 0.100000E-04    0.984775E+00
  14   -0.560727E-05    0.478463E+03  0.117193E-07 0.100000E-04    0.999245E+00
  15    0.171171E-05    0.469830E+03 -0.364325E-08 0.100000E-04    0.993540E+00
  16    0.149841E-05    0.463143E+03 -0.323530E-08 0.100000E-04    0.992458E+00
  17    0.133961E-05    0.441461E+03 -0.303449E-08 0.100000E-04    0.995761E+00
  18    0.337140E-05    0.431494E+03 -0.781331E-08 0.100000E-04    0.994733E+00
  19    0.712096E-05    0.420523E+03 -0.169336E-07 0.100000E-04    0.994218E+00
  20    0.811948E-05    0.405914E+03 -0.200029E-07 0.100000E-04    0.998385E+00
  21    0.490134E-05    0.398298E+03 -0.123057E-07 0.100000E-04    0.995249E+00
  22    0.623803E-07    0.388474E+03 -0.160578E-09 0.100000E-04    0.564296E+00
  23   -0.186437E-05    0.366984E+03  0.508026E-08 0.100000E-04    0.995848E+00
  24    0.188892E-05    0.363740E+03 -0.519305E-08 0.100000E-04    0.999251E+00
  25   -0.866716E-05    0.352485E+03  0.245887E-07 0.100000E-04    0.993390E+00
  26   -0.133203E-04    0.342720E+03  0.388663E-07 0.100000E-04    0.992692E+00
  27   -0.700010E-05    0.324242E+03  0.215891E-07 0.100000E-04    0.993389E+00
  28   -0.506455E-05    0.322520E+03  0.157030E-07 0.100000E-04    0.995406E+00
  29   -0.796232E-05    0.318477E+03  0.250012E-07 0.100000E-04    0.994859E+00
  30   -0.714032E-05    0.317004E+03  0.225244E-07 0.100000E-04    0.981876E+00
  31   -0.237124E-05    0.305308E+03  0.776671E-08 0.100000E-04    0.982743E+00
  32   -0.493621E-06    0.287376E+03  0.171768E-08 0.100000E-04    0.970022E+00
  33    0.451647E-05    0.279860E+03 -0.161383E-07 0.100000E-04    0.994283E+00
  34    0.211395E-05    0.271393E+03 -0.778927E-08 0.100000E-04    0.995590E+00
  35    0.132237E-04    0.265767E+03 -0.497566E-07 0.100000E-04    0.992625E+00
  36    0.258326E-05    0.262288E+03 -0.984893E-08 0.100000E-04    0.987103E+00
  37   -0.588287E-05    0.257753E+03  0.228237E-07 0.100000E-04    0.991594E+00
  38   -0.302461E-05    0.253424E+03  0.119350E-07 0.100000E-04    0.992477E+00
  39   -0.969136E-05    0.243764E+03  0.397572E-07 0.100000E-04    0.994038E+00
  40    0.503824E-05    0.239223E+03 -0.210609E-07 0.100000E-04    0.984702E+00
  41    0.619989E-05    0.234469E+03 -0.264422E-07 0.100000E-04    0.986669E+00
  42   -0.272405E-05    0.228554E+03  0.119187E-07 0.100000E-04    0.987739E+00
  43    0.225753E-05    0.224305E+03 -0.100646E-07 0.100000E-04    0.984924E+00
  44   -0.320882E-05    0.212708E+03  0.150856E-07 0.100000E-04    0.970178E+00
  45    0.364867E-05    0.211248E+03 -0.172720E-07 0.100000E-04    0.998563E+00
  46    0.605036E-05    0.209623E+03 -0.288631E-07 0.100000E-04    0.986140E+00
  47   -0.142067E-04    0.202960E+03  0.699978E-07 0.100000E-04    0.991284E+00
  48   -0.707868E-06    0.198473E+03  0.356657E-08 0.100000E-04    0.978972E+00
  49    0.779526E-05    0.195410E+03 -0.398918E-07 0.100000E-04    0.989694E+00
  50    0.560279E-05    0.191623E+03 -0.292386E-07 0.100000E-04    0.997448E+00
  51   -0.552597E-05    0.186264E+03  0.296674E-07 0.100000E-04    0.990552E+00
  52    0.361990E-06    0.177864E+03 -0.203520E-08 0.100000E-04    0.982578E+00
  53   -0.570320E-05    0.170747E+03  0.334015E-07 0.100000E-04    0.993161E+00
  54   -0.305819E-05    0.168087E+03  0.181941E-07 0.100000E-04    0.983875E+00
  55    0.110491E-04    0.165722E+03 -0.666723E-07 0.100000E-04    0.993125E+00
  56   -0.395353E-05    0.160530E+03  0.246281E-07 0.100000E-04    0.996967E+00
  57    0.186600E-05    0.153623E+03 -0.121466E-07 0.100000E-04    0.988612E+00
  58    0.875002E-05    0.151033E+03 -0.579344E-07 0.100000E-04    0.993746E+00
  59    0.559770E-05    0.148728E+03 -0.376373E-07 0.100000E-04    0.991307E+00
  60    0.930958E-05    0.142652E+03 -0.652608E-07 0.100000E-04    0.990412E+00
  61   -0.708373E-05    0.136919E+03  0.517367E-07 0.100000E-04    0.993606E+00
  62    0.205106E-04    0.134805E+03 -0.152150E-06 0.100000E-04    0.994930E+00
  63    0.132550E-04    0.130992E+03 -0.101190E-06 0.100000E-04    0.995628E+00
  64    0.320541E-05    0.127675E+03 -0.251059E-07 0.100000E-04    0.985405E+00
  65   -0.112007E-05    0.125796E+03  0.890380E-08 0.100000E-04    0.974196E+00
  66   -0.145658E-04    0.124729E+03  0.116780E-06 0.100000E-04    0.994195E+00
  67    0.115245E-05    0.119431E+03 -0.964953E-08 0.100000E-04    0.981361E+00
  68    0.402414E-05    0.117948E+03 -0.341180E-07 0.100000E-04    0.992826E+00
  69   -0.890230E-08    0.116474E+03  0.764317E-10 0.100000E-04    0.281027E+00
  70   -0.747189E-05    0.112483E+03  0.664271E-07 0.100000E-04    0.986832E+00
  71   -0.260908E-06    0.110010E+03  0.237168E-08 0.100000E-04    0.958767E+00
  72    0.184020E-04    0.105483E+03 -0.174454E-06 0.100000E-04    0.993491E+00
  73    0.734708E-05    0.102832E+03 -0.714473E-07 0.100000E-04    0.987061E+00
  74    0.209152E-04    0.100415E+03 -0.208288E-06 0.100000E-04    0.995215E+00
  75   -0.146520E-04    0.971911E+02  0.150754E-06 0.100000E-04    0.987959E+00
  76    0.175376E-04    0.950622E+02 -0.184486E-06 0.100000E-04    0.992510E+00
  77    0.940872E-06    0.911753E+02 -0.103194E-07 0.100000E-04    0.928060E+00
  78   -0.328198E-04    0.907352E+02  0.361710E-06 0.100000E-04    0.991131E+00
  79   -0.304122E-04    0.884164E+02  0.343966E-06 0.100000E-04    0.997551E+00
  80   -0.827784E-05    0.844964E+02  0.979668E-07 0.100000E-04    0.990137E+00
  81    0.966066E-05    0.808840E+02 -0.119438E-06 0.100000E-04    0.993570E+00
  82    0.149684E-04    0.791661E+02 -0.189076E-06 0.100000E-04    0.998995E+00
  83    0.828442E-05    0.786619E+02 -0.105317E-06 0.100000E-04    0.994487E+00
  84    0.122951E-04    0.729620E+02 -0.168514E-06 0.100000E-04    0.992900E+00
  85   -0.226599E-04    0.714018E+02  0.317357E-06 0.100000E-04    0.995158E+00
  86   -0.287389E-04    0.692017E+02  0.415292E-06 0.100000E-04    0.994898E+00
  87    0.418520E-05    0.677465E+02 -0.617774E-07 0.100000E-04    0.974606E+00
  88    0.472194E-06    0.634707E+02 -0.743956E-08 0.100000E-04    0.986955E+00
  89    0.257206E-04    0.621038E+02 -0.414155E-06 0.100000E-04    0.994317E+00
  90   -0.121661E-04    0.596575E+02  0.203933E-06 0.100000E-04    0.996329E+00
  91   -0.588973E-06    0.586422E+02  0.100435E-07 0.100000E-04    0.968608E+00
  92   -0.291214E-04    0.558280E+02  0.521627E-06 0.100000E-04    0.990810E+00
  93    0.338194E-04    0.535922E+02 -0.631051E-06 0.100000E-04    0.997496E+00
  94   -0.171160E-04    0.522773E+02  0.327408E-06 0.100000E-04    0.993320E+00
  95   -0.317795E-04    0.503030E+02  0.631762E-06 0.100000E-04    0.997795E+00
  96   -0.898936E-05    0.480016E+02  0.187272E-06 0.100000E-04    0.993639E+00
  97    0.205356E-04    0.435512E+02 -0.471527E-06 0.100000E-04    0.995258E+00
  98   -0.147683E-04    0.398767E+02  0.370349E-06 0.100000E-04    0.993704E+00
  99   -0.319168E-04    0.373290E+02  0.855014E-06 0.100000E-04    0.989562E+00
 100    0.311460E-04    0.362053E+02 -0.860262E-06 0.100000E-04    0.999020E+00
 101    0.949966E-04    0.349161E+02 -0.272071E-05 0.100000E-04    0.995215E+00
 102   -0.402521E-04    0.293486E+02  0.137152E-05 0.100000E-04    0.995005E+00
 103   -0.305956E-04    0.289562E+02  0.105662E-05 0.100000E-04    0.997612E+00
 104    0.396294E-04    0.287232E+02 -0.137970E-05 0.100000E-04    0.998832E+00
 105   -0.212657E-04    0.233275E+02  0.911615E-06 0.100000E-04    0.989937E+00
 106   -0.218393E-05    0.219165E+02  0.996474E-07 0.100000E-04    0.900440E+00
 107    0.960799E-04    0.195956E+02 -0.490314E-05 0.100000E-04    0.995852E+00
 108   -0.832972E-04    0.166878E+02  0.499150E-05 0.100000E-04    0.999389E+00
 109    0.671161E-04    0.138355E+02 -0.485100E-05 0.100000E-04    0.995987E+00
 110    0.676416E-04    0.125260E+02 -0.540009E-05 0.100000E-04    0.990137E+00
 111    0.114386E-03    0.113175E+02 -0.100000E-04 0.100000E-04    0.991001E+00
 112    0.186619E-04    0.945562E+01 -0.197363E-05 0.100000E-04    0.993675E+00
 113   -0.480319E-02    0.760286E+01  0.119284E-04 0.119284E-04    0.342927E+00
 114    0.270492E+00    0.481431E+01  0.400000E-03 0.400000E-03    0.161404E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5600877898E-01

 Beginning of optimization cycle  122.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3953040019
 potential> RMS force:                                               0.0255180538   |gradient|=.2724582576    
 Eigenvalues of the Hessian matrix:
   720.80822    670.98997    623.85228    603.69347    589.66526    564.53058 
   562.43553    478.47998    469.80786    463.13233    441.45855    431.48424 
   420.53038    405.92508    398.29453    388.47794    366.98567    363.72994 
   352.47558    342.68027    324.24781    322.50158    318.46740    317.01655 
   305.30526    287.37874    279.85582    271.38656    265.76706    262.29634 
   257.75638    253.42558    243.75099    239.21063    234.48052    228.55633 
   224.28609    212.70582    211.25242    209.61179    202.96255    198.46844 
   195.41267    191.62233    186.25745    177.84958    170.74964    168.08480 
   165.72081    160.52575    153.61918    151.03243    148.73410    142.65582 
   136.91939    134.81008    130.99053    127.67477    125.79975    124.73584 
   119.43161    117.94742    116.47756    112.47519    110.00111    105.47938 
   102.83267    100.41034     97.18926     95.06311     91.16917     90.74178 
    88.42807     84.49783     80.88397     79.16961     78.65988     72.95924 
    71.40498     69.19267     67.74955     63.46877     62.09687     59.65734 
    58.64527     55.82837     53.58961     52.27614     50.30289     48.00084 
    43.54668     39.87952     37.32192     36.20561     34.92337     29.33970 
    28.95478     28.72352     23.32258     21.91730     19.59669     16.69017 
    13.83427     12.52277     11.30689      9.45747      7.60329      4.81418 
overlap for current and previous eigenvector    109 is        -0.9999971479
overlap for current and previous eigenvector    110 is        -0.9999940499
overlap for current and previous eigenvector    111 is         0.9999911141
overlap for current and previous eigenvector    112 is        -0.9999994568
overlap for current and previous eigenvector    113 is         0.9999991950
overlap for current and previous eigenvector    114 is        -0.9999993710
J1,K1,R1,R2,RAT=   7   7   -0.1779062431         2.177740828        0.8220937569    
FOB,PFOB,DIAG,PSTEP=   -0.7297130800E-07   -0.6194923987E-07     720.8082233        0.8595124469E-10
J1,K1,R1,R2,RAT=   8   8   -0.1589733689E-02     2.001540013        0.9984102663    
FOB,PFOB,DIAG,PSTEP=   -0.1032998718E-05   -0.1031359091E-05     670.9899710        0.1537109012E-08
J1,K1,R1,R2,RAT=   9   9    0.7761564153E-02     1.992172370        0.9921723697    
FOB,PFOB,DIAG,PSTEP=    0.6989592925E-06    0.7044269279E-06     623.8522831       -0.1129193909E-08
J1,K1,R1,R2,RAT=  10  10   -0.7566621488E-02     2.007521151        0.9924333785    
FOB,PFOB,DIAG,PSTEP=    0.1415906549E-05    0.1405273138E-05     603.6934728       -0.2327845423E-08
J1,K1,R1,R2,RAT=  11  11   -0.3678095450E-02     2.003682072        0.9963219046    
FOB,PFOB,DIAG,PSTEP=   -0.9754242339E-06   -0.9718496852E-06     589.6652634        0.1648134651E-08
J1,K1,R1,R2,RAT= 109 109     2.002991902       -0.2811361419E-02    0.9971886386    
FOB,PFOB,DIAG,PSTEP=   -0.6730476399E-04    0.6711609343E-04     13.83426787       -0.4851000141E-05
J1,K1,R1,R2,RAT= 110 110     2.018996573       -0.1848010988E-01    0.9815198901    
FOB,PFOB,DIAG,PSTEP=   -0.6889132478E-04    0.6764162287E-04     12.52277373       -0.5400094390E-05
J1,K1,R1,R2,RAT= 111 111   -0.1208612604E-01     2.035377018        0.9879138740    
FOB,PFOB,DIAG,PSTEP=    0.1157521824E-03    0.1143856177E-03     11.30688801       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.974519160        0.2509026899E-01    0.9745191597    
FOB,PFOB,DIAG,PSTEP=   -0.1819362282E-04    0.1866194756E-04     9.457471057       -0.1973634661E-05
J1,K1,R1,R2,RAT= 113 113   -0.8464955568         106.7660296        0.1535044432    
FOB,PFOB,DIAG,PSTEP=   -0.4879961170E-02   -0.4803188221E-02     7.603293961        0.1192838802E-04
J1,K1,R1,R2,RAT= 114 114    -281.9307581        0.9983690339        0.1630966099E-02
FOB,PFOB,DIAG,PSTEP=   -0.2724144269        0.2704918950         4.814181375        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000      0.00000     -0.00001     -0.00001      0.00001 
     0.00001      0.00002     -0.00001     -0.00000      0.00000     -0.00001 
     0.00000     -0.00000      0.00000     -0.00001      0.00000      0.00002 
    -0.00001      0.00002      0.00001     -0.00002     -0.00000     -0.00003 
     0.00003      0.00001      0.00001     -0.00002     -0.00001      0.00001 
     0.00002     -0.00003      0.00000     -0.00000      0.00003      0.00001 
     0.00000     -0.00003     -0.00003      0.00002     -0.00003     -0.00001 
    -0.00002      0.00001      0.00003     -0.00003     -0.00010     -0.00004 
     0.00003     -0.00004      0.00002     -0.00000      0.00010      0.00008 
    -0.00007     -0.00007      0.00012     -0.00002     -0.00488     -0.27241 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4380965160
 Log product of positive Hessian eigenvalues =          520.4001012571
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8141813750
 Unscaled step for mode    7=        0.0000000001
 Unscaled step for mode    8=        0.0000000015
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000052
 Unscaled step for mode   13=       -0.0000000029
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000033
 Unscaled step for mode   17=       -0.0000000031
 Unscaled step for mode   18=       -0.0000000078
 Unscaled step for mode   19=       -0.0000000170
 Unscaled step for mode   20=       -0.0000000201
 Unscaled step for mode   21=       -0.0000000124
 Unscaled step for mode   22=       -0.0000000002
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000247
 Unscaled step for mode   26=        0.0000000392
 Unscaled step for mode   27=        0.0000000217
 Unscaled step for mode   28=        0.0000000156
 Unscaled step for mode   29=        0.0000000250
 Unscaled step for mode   30=        0.0000000229
 Unscaled step for mode   31=        0.0000000078
 Unscaled step for mode   32=        0.0000000018
 Unscaled step for mode   33=       -0.0000000163
 Unscaled step for mode   34=       -0.0000000079
 Unscaled step for mode   35=       -0.0000000500
 Unscaled step for mode   36=       -0.0000000100
 Unscaled step for mode   37=        0.0000000230
 Unscaled step for mode   38=        0.0000000120
 Unscaled step for mode   39=        0.0000000400
 Unscaled step for mode   40=       -0.0000000213
 Unscaled step for mode   41=       -0.0000000268
 Unscaled step for mode   42=        0.0000000120
 Unscaled step for mode   43=       -0.0000000101
 Unscaled step for mode   44=        0.0000000152
 Unscaled step for mode   45=       -0.0000000173
 Unscaled step for mode   46=       -0.0000000291
 Unscaled step for mode   47=        0.0000000704
 Unscaled step for mode   48=        0.0000000035
 Unscaled step for mode   49=       -0.0000000402
 Unscaled step for mode   50=       -0.0000000295
 Unscaled step for mode   51=        0.0000000298
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000335
 Unscaled step for mode   54=       -0.0000000184
 Unscaled step for mode   55=        0.0000000670
 Unscaled step for mode   56=       -0.0000000248
 Unscaled step for mode   57=       -0.0000000122
 Unscaled step for mode   58=        0.0000000584
 Unscaled step for mode   59=        0.0000000377
 Unscaled step for mode   60=       -0.0000000655
 Unscaled step for mode   61=       -0.0000000522
 Unscaled step for mode   62=       -0.0000001530
 Unscaled step for mode   63=        0.0000001020
 Unscaled step for mode   64=        0.0000000254
 Unscaled step for mode   65=       -0.0000000089
 Unscaled step for mode   66=        0.0000001176
 Unscaled step for mode   67=       -0.0000000096
 Unscaled step for mode   68=        0.0000000344
 Unscaled step for mode   69=       -0.0000000003
 Unscaled step for mode   70=        0.0000000670
 Unscaled step for mode   71=       -0.0000000025
 Unscaled step for mode   72=       -0.0000001761
 Unscaled step for mode   73=        0.0000000723
 Unscaled step for mode   74=       -0.0000002097
 Unscaled step for mode   75=       -0.0000001522
 Unscaled step for mode   76=        0.0000001857
 Unscaled step for mode   77=        0.0000000105
 Unscaled step for mode   78=        0.0000003640
 Unscaled step for mode   79=       -0.0000003450
 Unscaled step for mode   80=       -0.0000000988
 Unscaled step for mode   81=       -0.0000001204
 Unscaled step for mode   82=        0.0000001896
 Unscaled step for mode   83=        0.0000001052
 Unscaled step for mode   84=       -0.0000001704
 Unscaled step for mode   85=       -0.0000003198
 Unscaled step for mode   86=        0.0000004176
 Unscaled step for mode   87=       -0.0000000608
 Unscaled step for mode   88=        0.0000000084
 Unscaled step for mode   89=       -0.0000004172
 Unscaled step for mode   90=       -0.0000002061
 Unscaled step for mode   91=       -0.0000000097
 Unscaled step for mode   92=        0.0000005254
 Unscaled step for mode   93=        0.0000006341
 Unscaled step for mode   94=       -0.0000003311
 Unscaled step for mode   95=        0.0000006341
 Unscaled step for mode   96=        0.0000001875
 Unscaled step for mode   97=        0.0000004755
 Unscaled step for mode   98=       -0.0000003727
 Unscaled step for mode   99=       -0.0000008696
 Unscaled step for mode  100=        0.0000008626
 Unscaled step for mode  101=        0.0000027340
 Unscaled step for mode  102=        0.0000013869
 Unscaled step for mode  103=       -0.0000010605
 Unscaled step for mode  104=        0.0000013878
 Unscaled step for mode  105=       -0.0000009198
 Unscaled step for mode  106=        0.0000001086
 Unscaled step for mode  107=       -0.0000049375
 Unscaled step for mode  108=       -0.0000049783
 Unscaled step for mode  109=        0.0000048651
 Unscaled step for mode  110=        0.0000055013
 Unscaled step for mode  111=       -0.0000102373
 Unscaled step for mode  112=        0.0000019237
 Unscaled step for mode  113=        0.0006418217
 Unscaled step for mode  114=       -0.0564057912
 Largest modulus ratio of non-zero e/values=           149.7260213    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.624500E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.264003E-15    0.100763E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.603999E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.282760E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.612032E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.111510E-15    0.973551E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.729713E-07    0.720808E+03  0.101235E-09 0.100000E-04    0.822094E+00
   8   -0.103300E-05    0.670990E+03  0.153951E-08 0.100000E-04    0.998410E+00
   9    0.698959E-06    0.623852E+03 -0.112039E-08 0.100000E-04    0.992172E+00
  10    0.141591E-05    0.603693E+03 -0.234541E-08 0.100000E-04    0.992433E+00
  11   -0.975424E-06    0.589665E+03  0.165420E-08 0.100000E-04    0.996322E+00
  12    0.292750E-05    0.564531E+03 -0.518572E-08 0.100000E-04    0.998794E+00
  13    0.164274E-05    0.562436E+03 -0.292075E-08 0.100000E-04    0.996720E+00
  14   -0.561790E-05    0.478480E+03  0.117411E-07 0.100000E-04    0.998105E+00
  15    0.170414E-05    0.469808E+03 -0.362730E-08 0.100000E-04    0.995574E+00
  16    0.152141E-05    0.463132E+03 -0.328503E-08 0.100000E-04    0.984652E+00
  17    0.136536E-05    0.441459E+03 -0.309284E-08 0.100000E-04    0.980775E+00
  18    0.338112E-05    0.431484E+03 -0.783601E-08 0.100000E-04    0.997118E+00
  19    0.716885E-05    0.420530E+03 -0.170472E-07 0.100000E-04    0.993275E+00
  20    0.814877E-05    0.405925E+03 -0.200746E-07 0.100000E-04    0.996392E+00
  21    0.493280E-05    0.398295E+03 -0.123848E-07 0.100000E-04    0.993580E+00
  22    0.859927E-07    0.388478E+03 -0.221358E-09 0.100000E-04    0.621481E+00
  23   -0.186204E-05    0.366986E+03  0.507388E-08 0.100000E-04    0.998739E+00
  24    0.188695E-05    0.363730E+03 -0.518778E-08 0.100000E-04    0.998958E+00
  25   -0.872012E-05    0.352476E+03  0.247397E-07 0.100000E-04    0.993889E+00
  26   -0.134197E-04    0.342680E+03  0.391610E-07 0.100000E-04    0.992533E+00
  27   -0.703561E-05    0.324248E+03  0.216982E-07 0.100000E-04    0.994928E+00
  28   -0.503171E-05    0.322502E+03  0.156021E-07 0.100000E-04    0.993517E+00
  29   -0.796840E-05    0.318467E+03  0.250211E-07 0.100000E-04    0.999236E+00
  30   -0.727123E-05    0.317017E+03  0.229364E-07 0.100000E-04    0.981667E+00
  31   -0.239127E-05    0.305305E+03  0.783239E-08 0.100000E-04    0.991552E+00
  32   -0.514967E-06    0.287379E+03  0.179195E-08 0.100000E-04    0.956755E+00
  33    0.455253E-05    0.279856E+03 -0.162674E-07 0.100000E-04    0.992014E+00
  34    0.214423E-05    0.271387E+03 -0.790101E-08 0.100000E-04    0.985678E+00
  35    0.132950E-04    0.265767E+03 -0.500249E-07 0.100000E-04    0.994607E+00
  36    0.262459E-05    0.262296E+03 -0.100062E-07 0.100000E-04    0.983998E+00
  37   -0.592629E-05    0.257756E+03  0.229918E-07 0.100000E-04    0.992619E+00
  38   -0.302943E-05    0.253426E+03  0.119539E-07 0.100000E-04    0.998407E+00
  39   -0.975949E-05    0.243751E+03  0.400388E-07 0.100000E-04    0.992970E+00
  40    0.509856E-05    0.239211E+03 -0.213141E-07 0.100000E-04    0.988027E+00
  41    0.628093E-05    0.234481E+03 -0.267866E-07 0.100000E-04    0.986930E+00
  42   -0.274937E-05    0.228556E+03  0.120293E-07 0.100000E-04    0.990706E+00
  43    0.227385E-05    0.224286E+03 -0.101381E-07 0.100000E-04    0.992772E+00
  44   -0.324306E-05    0.212706E+03  0.152467E-07 0.100000E-04    0.989327E+00
  45    0.365829E-05    0.211252E+03 -0.173172E-07 0.100000E-04    0.997363E+00
  46    0.609915E-05    0.209612E+03 -0.290974E-07 0.100000E-04    0.991936E+00
  47   -0.142936E-04    0.202963E+03  0.704248E-07 0.100000E-04    0.993886E+00
  48   -0.693073E-06    0.198468E+03  0.349211E-08 0.100000E-04    0.979099E+00
  49    0.785348E-05    0.195413E+03 -0.401892E-07 0.100000E-04    0.992531E+00
  50    0.565669E-05    0.191622E+03 -0.295200E-07 0.100000E-04    0.990379E+00
  51   -0.555437E-05    0.186257E+03  0.298209E-07 0.100000E-04    0.994862E+00
  52    0.359925E-06    0.177850E+03 -0.202376E-08 0.100000E-04    0.994294E+00
  53   -0.572579E-05    0.170750E+03  0.335333E-07 0.100000E-04    0.996039E+00
  54    0.308862E-05    0.168085E+03 -0.183754E-07 0.100000E-04    0.990048E+00
  55   -0.111080E-04    0.165721E+03  0.670284E-07 0.100000E-04    0.994666E+00
  56    0.398569E-05    0.160526E+03 -0.248290E-07 0.100000E-04    0.991865E+00
  57    0.187615E-05    0.153619E+03 -0.122130E-07 0.100000E-04    0.994563E+00
  58   -0.881833E-05    0.151032E+03  0.583870E-07 0.100000E-04    0.992193E+00
  59   -0.560895E-05    0.148734E+03  0.377112E-07 0.100000E-04    0.997991E+00
  60    0.934860E-05    0.142656E+03 -0.655326E-07 0.100000E-04    0.995808E+00
  61    0.715291E-05    0.136919E+03 -0.522418E-07 0.100000E-04    0.990234E+00
  62    0.206268E-04    0.134810E+03 -0.153007E-06 0.100000E-04    0.994330E+00
  63   -0.133558E-04    0.130991E+03  0.101960E-06 0.100000E-04    0.992400E+00
  64   -0.324490E-05    0.127675E+03  0.254154E-07 0.100000E-04    0.987678E+00
  65    0.111501E-05    0.125800E+03 -0.886335E-08 0.100000E-04    0.995429E+00
  66   -0.146728E-04    0.124736E+03  0.117631E-06 0.100000E-04    0.992654E+00
  67    0.114759E-05    0.119432E+03 -0.960879E-08 0.100000E-04    0.995773E+00
  68   -0.405813E-05    0.117947E+03  0.344063E-07 0.100000E-04    0.991554E+00
  69    0.368391E-07    0.116478E+03 -0.316276E-09 0.100000E-04    0.213806E+01
  70   -0.753221E-05    0.112475E+03  0.669677E-07 0.100000E-04    0.991927E+00
  71    0.279453E-06    0.110001E+03 -0.254046E-08 0.100000E-04    0.928914E+00
  72    0.185785E-04    0.105479E+03 -0.176134E-06 0.100000E-04    0.990405E+00
  73   -0.743137E-05    0.102833E+03  0.722666E-07 0.100000E-04    0.988529E+00
  74    0.210529E-04    0.100410E+03 -0.209669E-06 0.100000E-04    0.993414E+00
  75    0.147886E-04    0.971893E+02 -0.152163E-06 0.100000E-04    0.990673E+00
  76   -0.176579E-04    0.950631E+02  0.185750E-06 0.100000E-04    0.993141E+00
  77   -0.961321E-06    0.911692E+02  0.105444E-07 0.100000E-04    0.978264E+00
  78   -0.330343E-04    0.907418E+02  0.364047E-06 0.100000E-04    0.993465E+00
  79    0.305116E-04    0.884281E+02 -0.345045E-06 0.100000E-04    0.996731E+00
  80    0.834839E-05    0.844978E+02 -0.988000E-07 0.100000E-04    0.991478E+00
  81    0.973538E-05    0.808840E+02 -0.120362E-06 0.100000E-04    0.992265E+00
  82   -0.150141E-04    0.791696E+02  0.189645E-06 0.100000E-04    0.996948E+00
  83   -0.827527E-05    0.786599E+02  0.105203E-06 0.100000E-04    0.998895E+00
  84    0.124331E-04    0.729592E+02 -0.170411E-06 0.100000E-04    0.988777E+00
  85    0.228357E-04    0.714050E+02 -0.319806E-06 0.100000E-04    0.992241E+00
  86   -0.288962E-04    0.691927E+02  0.417620E-06 0.100000E-04    0.994525E+00
  87    0.411719E-05    0.677495E+02 -0.607707E-07 0.100000E-04    0.983659E+00
  88   -0.535063E-06    0.634688E+02  0.843034E-08 0.100000E-04    0.866853E+00
  89    0.259057E-04    0.620969E+02 -0.417181E-06 0.100000E-04    0.992804E+00
  90    0.122958E-04    0.596573E+02 -0.206107E-06 0.100000E-04    0.989343E+00
  91    0.568058E-06    0.586453E+02 -0.968634E-08 0.100000E-04    0.964386E+00
  92   -0.293349E-04    0.558284E+02  0.525448E-06 0.100000E-04    0.992669E+00
  93   -0.339837E-04    0.535896E+02  0.634147E-06 0.100000E-04    0.995142E+00
  94    0.173064E-04    0.522761E+02 -0.331057E-06 0.100000E-04    0.988876E+00
  95   -0.318992E-04    0.503029E+02  0.634143E-06 0.100000E-04    0.996233E+00
  96   -0.899963E-05    0.480008E+02  0.187489E-06 0.100000E-04    0.998857E+00
  97   -0.207049E-04    0.435467E+02  0.475464E-06 0.100000E-04    0.991755E+00
  98    0.148624E-04    0.398795E+02 -0.372682E-06 0.100000E-04    0.993629E+00
  99    0.324544E-04    0.373219E+02 -0.869579E-06 0.100000E-04    0.983155E+00
 100   -0.312310E-04    0.362056E+02  0.862602E-06 0.100000E-04    0.997271E+00
 101   -0.954821E-04    0.349234E+02  0.273404E-05 0.100000E-04    0.994891E+00
 102   -0.406915E-04    0.293397E+02  0.138691E-05 0.100000E-04    0.989081E+00
 103    0.307066E-04    0.289548E+02 -0.106050E-05 0.100000E-04    0.996373E+00
 104   -0.398625E-04    0.287235E+02  0.138780E-05 0.100000E-04    0.994117E+00
 105    0.214533E-04    0.233226E+02 -0.919849E-06 0.100000E-04    0.991180E+00
 106   -0.237969E-05    0.219173E+02  0.108576E-06 0.100000E-04    0.910364E+00
 107    0.967583E-04    0.195967E+02 -0.493748E-05 0.100000E-04    0.992939E+00
 108    0.830879E-04    0.166902E+02 -0.497825E-05 0.100000E-04    0.997206E+00
 109   -0.673048E-04    0.138343E+02  0.486508E-05 0.100000E-04    0.997189E+00
 110   -0.688913E-04    0.125228E+02  0.550128E-05 0.100000E-04    0.981520E+00
 111    0.115752E-03    0.113069E+02 -0.100000E-04 0.100000E-04    0.987914E+00
 112   -0.181936E-04    0.945747E+01  0.192373E-05 0.100000E-04    0.974519E+00
 113   -0.487996E-02    0.760329E+01  0.130019E-04 0.130019E-04    0.153504E+00
 114   -0.272414E+00    0.481418E+01 -0.400000E-03 0.400000E-03    0.163097E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5640579121E-01

 Beginning of optimization cycle  123.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3951947155
 potential> RMS force:                                               0.0256981944   |gradient|=.2743816327    
 Eigenvalues of the Hessian matrix:
   720.86780    671.00652    623.87276    603.70719    589.66391    564.55128 
   562.47414    478.49680    469.78525    463.12131    441.45619    431.47412 
   420.53821    405.93595    398.29077    388.48205    366.98757    363.71957 
   352.46635    342.64082    324.25361    322.48309    318.45765    317.02893 
   305.30272    287.38132    279.85170    271.38021    265.76734    262.30491 
   257.76025    253.42723    243.73824    239.19861    234.49182    228.55888 
   224.26738    212.70420    211.25729    209.60048    202.96518    198.46388 
   195.41524    191.62189    186.25071    177.83484    170.75234    168.08261 
   165.71953    160.52183    153.61520    151.03155    148.74048    142.65974 
   136.91986    134.81500    130.98946    127.67421    125.80319    124.74270 
   119.43215    117.94715    116.48123    112.46782    109.99223    105.47551 
   102.83322    100.40600     97.18734     95.06397     91.16303     90.74837 
    88.43975     84.49929     80.88401     79.17315     78.65785     72.95645 
    71.40808     69.18357     67.75254     63.46685     62.08978     59.65721 
    58.64832     55.82875     53.58699     52.27499     50.30277     48.00002 
    43.54215     39.88229     37.31487     36.20581     34.93067     29.33081 
    28.95333     28.72384     23.31765     21.91805     19.59781     16.69249 
    13.83303     12.51958     11.29621      9.45932      7.60370      4.81402 
overlap for current and previous eigenvector    109 is         0.9999971830
overlap for current and previous eigenvector    110 is         0.9999941637
overlap for current and previous eigenvector    111 is         0.9999912294
overlap for current and previous eigenvector    112 is        -0.9999994479
overlap for current and previous eigenvector    113 is        -0.9999991922
overlap for current and previous eigenvector    114 is         0.9999993750
J1,K1,R1,R2,RAT=   7   7   -0.1033067050         2.103141414        0.8966932950    
FOB,PFOB,DIAG,PSTEP=   -0.8051035646E-07   -0.7297130800E-07     720.8677998        0.1012353989E-09
J1,K1,R1,R2,RAT=   8   8   -0.2399793124E-01     2.023948592        0.9760020688    
FOB,PFOB,DIAG,PSTEP=   -0.1057789162E-05   -0.1032998718E-05     671.0065244        0.1539514393E-08
J1,K1,R1,R2,RAT=   9   9   -0.1278896512E-01     2.012723324        0.9872110349    
FOB,PFOB,DIAG,PSTEP=    0.7078985519E-06    0.6989592925E-06     623.8727589       -0.1120392297E-08
J1,K1,R1,R2,RAT=  10  10    0.1881061067E-02     1.998073489        0.9980734892    
FOB,PFOB,DIAG,PSTEP=    0.1413243082E-05    0.1415906549E-05     603.7071920       -0.2345406424E-08
J1,K1,R1,R2,RAT=  11  11    0.7000718302E-04     1.999934584        0.9999299928    
FOB,PFOB,DIAG,PSTEP=   -0.9753559474E-06   -0.9754242339E-06     589.6639098        0.1654199924E-08
J1,K1,R1,R2,RAT= 109 109   -0.3304364562E-02     2.003483331        0.9966956354    
FOB,PFOB,DIAG,PSTEP=   -0.6752714357E-04   -0.6730476399E-04     13.83303004        0.4865075957E-05
J1,K1,R1,R2,RAT= 110 110   -0.1045361062E-01     2.010963906        0.9895463894    
FOB,PFOB,DIAG,PSTEP=   -0.6961130416E-04   -0.6889132478E-04     12.51957939        0.5501283201E-05
J1,K1,R1,R2,RAT= 111 111   -0.2019922979E-01     2.069597373        0.9798007702    
FOB,PFOB,DIAG,PSTEP=    0.1180339303E-03    0.1157521824E-03     11.29621229       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.992695212        0.6913865892E-02    0.9926952122    
FOB,PFOB,DIAG,PSTEP=    0.1806780996E-04   -0.1819362282E-04     9.459319985        0.1923730214E-05
J1,K1,R1,R2,RAT= 113 113     99.41701074       -0.6951793182        0.3048206818    
FOB,PFOB,DIAG,PSTEP=    0.4948688584E-02   -0.4879961170E-02     7.603698757        0.1300194294E-04
J1,K1,R1,R2,RAT= 114 114    0.9983595733        -283.9369466        0.1640426656E-02
FOB,PFOB,DIAG,PSTEP=   -0.2743368762       -0.2724144269         4.814020416       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00001     -0.00001      0.00001 
     0.00001      0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000     -0.00000     -0.00000     -0.00001      0.00000     -0.00002 
    -0.00001     -0.00002     -0.00001     -0.00002     -0.00000      0.00003 
     0.00003     -0.00001     -0.00001      0.00002      0.00001     -0.00001 
     0.00002      0.00003     -0.00000     -0.00000      0.00003      0.00001 
     0.00000     -0.00003      0.00003      0.00002     -0.00003     -0.00001 
    -0.00002      0.00001      0.00003      0.00003      0.00010     -0.00004 
     0.00003     -0.00004      0.00002     -0.00000      0.00010     -0.00008 
    -0.00007     -0.00007      0.00012      0.00002      0.00495     -0.27434 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4381285165
 Log product of positive Hessian eigenvalues =          520.3983155856
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8140204158
 Unscaled step for mode    7=        0.0000000001
 Unscaled step for mode    8=        0.0000000016
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000023
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000052
 Unscaled step for mode   13=       -0.0000000029
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000033
 Unscaled step for mode   17=       -0.0000000031
 Unscaled step for mode   18=       -0.0000000079
 Unscaled step for mode   19=       -0.0000000171
 Unscaled step for mode   20=       -0.0000000201
 Unscaled step for mode   21=       -0.0000000124
 Unscaled step for mode   22=       -0.0000000003
 Unscaled step for mode   23=        0.0000000051
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000249
 Unscaled step for mode   26=        0.0000000394
 Unscaled step for mode   27=        0.0000000218
 Unscaled step for mode   28=        0.0000000155
 Unscaled step for mode   29=        0.0000000251
 Unscaled step for mode   30=        0.0000000234
 Unscaled step for mode   31=        0.0000000080
 Unscaled step for mode   32=        0.0000000018
 Unscaled step for mode   33=       -0.0000000164
 Unscaled step for mode   34=       -0.0000000079
 Unscaled step for mode   35=       -0.0000000504
 Unscaled step for mode   36=       -0.0000000101
 Unscaled step for mode   37=        0.0000000232
 Unscaled step for mode   38=        0.0000000120
 Unscaled step for mode   39=        0.0000000403
 Unscaled step for mode   40=       -0.0000000216
 Unscaled step for mode   41=       -0.0000000271
 Unscaled step for mode   42=        0.0000000122
 Unscaled step for mode   43=       -0.0000000103
 Unscaled step for mode   44=        0.0000000157
 Unscaled step for mode   45=       -0.0000000173
 Unscaled step for mode   46=       -0.0000000295
 Unscaled step for mode   47=        0.0000000710
 Unscaled step for mode   48=        0.0000000034
 Unscaled step for mode   49=       -0.0000000406
 Unscaled step for mode   50=       -0.0000000296
 Unscaled step for mode   51=        0.0000000301
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000338
 Unscaled step for mode   54=        0.0000000187
 Unscaled step for mode   55=       -0.0000000675
 Unscaled step for mode   56=        0.0000000249
 Unscaled step for mode   57=        0.0000000124
 Unscaled step for mode   58=       -0.0000000587
 Unscaled step for mode   59=        0.0000000380
 Unscaled step for mode   60=       -0.0000000662
 Unscaled step for mode   61=       -0.0000000526
 Unscaled step for mode   62=       -0.0000001538
 Unscaled step for mode   63=       -0.0000001024
 Unscaled step for mode   64=       -0.0000000258
 Unscaled step for mode   65=       -0.0000000086
 Unscaled step for mode   66=        0.0000001183
 Unscaled step for mode   67=        0.0000000098
 Unscaled step for mode   68=        0.0000000347
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=        0.0000000678
 Unscaled step for mode   71=       -0.0000000026
 Unscaled step for mode   72=        0.0000001773
 Unscaled step for mode   73=        0.0000000732
 Unscaled step for mode   74=        0.0000002107
 Unscaled step for mode   75=        0.0000001540
 Unscaled step for mode   76=        0.0000001871
 Unscaled step for mode   77=        0.0000000113
 Unscaled step for mode   78=       -0.0000003672
 Unscaled step for mode   79=       -0.0000003458
 Unscaled step for mode   80=        0.0000000998
 Unscaled step for mode   81=        0.0000001211
 Unscaled step for mode   82=       -0.0000001898
 Unscaled step for mode   83=       -0.0000001058
 Unscaled step for mode   84=        0.0000001716
 Unscaled step for mode   85=       -0.0000003213
 Unscaled step for mode   86=       -0.0000004198
 Unscaled step for mode   87=        0.0000000590
 Unscaled step for mode   88=        0.0000000085
 Unscaled step for mode   89=       -0.0000004197
 Unscaled step for mode   90=       -0.0000002069
 Unscaled step for mode   91=       -0.0000000094
 Unscaled step for mode   92=        0.0000005302
 Unscaled step for mode   93=       -0.0000006357
 Unscaled step for mode   94=       -0.0000003332
 Unscaled step for mode   95=        0.0000006354
 Unscaled step for mode   96=        0.0000001887
 Unscaled step for mode   97=        0.0000004779
 Unscaled step for mode   98=       -0.0000003750
 Unscaled step for mode   99=       -0.0000008790
 Unscaled step for mode  100=       -0.0000008631
 Unscaled step for mode  101=       -0.0000027465
 Unscaled step for mode  102=        0.0000013940
 Unscaled step for mode  103=       -0.0000010628
 Unscaled step for mode  104=        0.0000013893
 Unscaled step for mode  105=       -0.0000009298
 Unscaled step for mode  106=        0.0000000972
 Unscaled step for mode  107=       -0.0000049591
 Unscaled step for mode  108=        0.0000049737
 Unscaled step for mode  109=        0.0000048816
 Unscaled step for mode  110=        0.0000055602
 Unscaled step for mode  111=       -0.0000104490
 Unscaled step for mode  112=       -0.0000019101
 Unscaled step for mode  113=       -0.0006508262
 Unscaled step for mode  114=       -0.0568031867
 Largest modulus ratio of non-zero e/values=           149.7434031    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.698226E-16    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.224647E-15    0.100763E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.567888E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.407660E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.299240E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.606489E-15    0.973552E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.805104E-07    0.720868E+03  0.111685E-09 0.100000E-04    0.896693E+00
   8   -0.105779E-05    0.671007E+03  0.157642E-08 0.100000E-04    0.976002E+00
   9    0.707899E-06    0.623873E+03 -0.113468E-08 0.100000E-04    0.987211E+00
  10    0.141324E-05    0.603707E+03 -0.234094E-08 0.100000E-04    0.998073E+00
  11   -0.975356E-06    0.589664E+03  0.165409E-08 0.100000E-04    0.999930E+00
  12    0.294326E-05    0.564551E+03 -0.521344E-08 0.100000E-04    0.994617E+00
  13    0.161693E-05    0.562474E+03 -0.287467E-08 0.100000E-04    0.984153E+00
  14   -0.562132E-05    0.478497E+03  0.117479E-07 0.100000E-04    0.999391E+00
  15    0.171546E-05    0.469785E+03 -0.365158E-08 0.100000E-04    0.993356E+00
  16    0.153230E-05    0.463121E+03 -0.330863E-08 0.100000E-04    0.992839E+00
  17    0.137119E-05    0.441456E+03 -0.310606E-08 0.100000E-04    0.995734E+00
  18    0.340015E-05    0.431474E+03 -0.788032E-08 0.100000E-04    0.994369E+00
  19    0.721020E-05    0.420538E+03 -0.171452E-07 0.100000E-04    0.994232E+00
  20    0.816221E-05    0.405936E+03 -0.201071E-07 0.100000E-04    0.998352E+00
  21    0.495651E-05    0.398291E+03 -0.124444E-07 0.100000E-04    0.995195E+00
  22    0.104064E-06    0.388482E+03 -0.267873E-09 0.100000E-04    0.789854E+00
  23   -0.185494E-05    0.366988E+03  0.505451E-08 0.100000E-04    0.996178E+00
  24    0.188627E-05    0.363720E+03 -0.518607E-08 0.100000E-04    0.999641E+00
  25   -0.877741E-05    0.352466E+03  0.249028E-07 0.100000E-04    0.993430E+00
  26   -0.135170E-04    0.342641E+03  0.394496E-07 0.100000E-04    0.992747E+00
  27   -0.708187E-05    0.324254E+03  0.218405E-07 0.100000E-04    0.993424E+00
  28   -0.500457E-05    0.322483E+03  0.155189E-07 0.100000E-04    0.994605E+00
  29   -0.800004E-05    0.318458E+03  0.251212E-07 0.100000E-04    0.996030E+00
  30   -0.740592E-05    0.317029E+03  0.233604E-07 0.100000E-04    0.981477E+00
  31   -0.243219E-05    0.305303E+03  0.796647E-08 0.100000E-04    0.982889E+00
  32   -0.529084E-06    0.287381E+03  0.184105E-08 0.100000E-04    0.972588E+00
  33    0.457807E-05    0.279852E+03 -0.163589E-07 0.100000E-04    0.994391E+00
  34    0.215413E-05    0.271380E+03 -0.793767E-08 0.100000E-04    0.995384E+00
  35    0.133892E-04    0.265767E+03 -0.503795E-07 0.100000E-04    0.992909E+00
  36    0.265730E-05    0.262305E+03 -0.101306E-07 0.100000E-04    0.987539E+00
  37   -0.597592E-05    0.257760E+03  0.231840E-07 0.100000E-04    0.991625E+00
  38   -0.305188E-05    0.253427E+03  0.120424E-07 0.100000E-04    0.992590E+00
  39   -0.981701E-05    0.243738E+03  0.402769E-07 0.100000E-04    0.994106E+00
  40    0.517392E-05    0.239199E+03 -0.216302E-07 0.100000E-04    0.985219E+00
  41    0.636153E-05    0.234492E+03 -0.271290E-07 0.100000E-04    0.987168E+00
  42   -0.277988E-05    0.228559E+03  0.121626E-07 0.100000E-04    0.988904E+00
  43    0.230792E-05    0.224267E+03 -0.102910E-07 0.100000E-04    0.985011E+00
  44   -0.333493E-05    0.212704E+03  0.156787E-07 0.100000E-04    0.971672E+00
  45    0.366181E-05    0.211257E+03 -0.173334E-07 0.100000E-04    0.999039E+00
  46    0.618132E-05    0.209600E+03 -0.294910E-07 0.100000E-04    0.986526E+00
  47   -0.144148E-04    0.202965E+03  0.710213E-07 0.100000E-04    0.991517E+00
  48   -0.676827E-06    0.198464E+03  0.341033E-08 0.100000E-04    0.976558E+00
  49    0.793289E-05    0.195415E+03 -0.405951E-07 0.100000E-04    0.989888E+00
  50    0.567266E-05    0.191622E+03 -0.296034E-07 0.100000E-04    0.997177E+00
  51   -0.560725E-05    0.186251E+03  0.301059E-07 0.100000E-04    0.990479E+00
  52    0.354542E-06    0.177835E+03 -0.199366E-08 0.100000E-04    0.985043E+00
  53   -0.576562E-05    0.170752E+03  0.337660E-07 0.100000E-04    0.993045E+00
  54   -0.313749E-05    0.168083E+03  0.186664E-07 0.100000E-04    0.984178E+00
  55    0.111820E-04    0.165720E+03 -0.674755E-07 0.100000E-04    0.993338E+00
  56   -0.399587E-05    0.160522E+03  0.248930E-07 0.100000E-04    0.997447E+00
  57   -0.189936E-05    0.153615E+03  0.123644E-07 0.100000E-04    0.987628E+00
  58    0.887249E-05    0.151032E+03 -0.587459E-07 0.100000E-04    0.993859E+00
  59   -0.565756E-05    0.148740E+03  0.380365E-07 0.100000E-04    0.991333E+00
  60    0.943842E-05    0.142660E+03 -0.661604E-07 0.100000E-04    0.990393E+00
  61    0.719943E-05    0.136920E+03 -0.525813E-07 0.100000E-04    0.993497E+00
  62    0.207298E-04    0.134815E+03 -0.153765E-06 0.100000E-04    0.995007E+00
  63    0.134141E-04    0.130989E+03 -0.102406E-06 0.100000E-04    0.995630E+00
  64    0.329483E-05    0.127674E+03 -0.258065E-07 0.100000E-04    0.984614E+00
  65    0.108561E-05    0.125803E+03 -0.862939E-08 0.100000E-04    0.973577E+00
  66   -0.147561E-04    0.124743E+03  0.118292E-06 0.100000E-04    0.994327E+00
  67   -0.116694E-05    0.119432E+03  0.977075E-08 0.100000E-04    0.983140E+00
  68   -0.408720E-05    0.117947E+03  0.346528E-07 0.100000E-04    0.992835E+00
  69   -0.521244E-07    0.116481E+03  0.447492E-09 0.100000E-04    0.585093E+00
  70   -0.762779E-05    0.112468E+03  0.678220E-07 0.100000E-04    0.987309E+00
  71    0.289425E-06    0.109992E+03 -0.263132E-08 0.100000E-04    0.964313E+00
  72   -0.186974E-04    0.105476E+03  0.177268E-06 0.100000E-04    0.993602E+00
  73   -0.752609E-05    0.102833E+03  0.731873E-07 0.100000E-04    0.987254E+00
  74   -0.211510E-04    0.100406E+03  0.210655E-06 0.100000E-04    0.995339E+00
  75   -0.149649E-04    0.971873E+02  0.153980E-06 0.100000E-04    0.988081E+00
  76   -0.177877E-04    0.950640E+02  0.187113E-06 0.100000E-04    0.992652E+00
  77   -0.103017E-05    0.911630E+02  0.113003E-07 0.100000E-04    0.928381E+00
  78    0.333264E-04    0.907484E+02 -0.367240E-06 0.100000E-04    0.991157E+00
  79    0.305784E-04    0.884397E+02 -0.345754E-06 0.100000E-04    0.997812E+00
  80   -0.843206E-05    0.844993E+02  0.997885E-07 0.100000E-04    0.989977E+00
  81   -0.979578E-05    0.808840E+02  0.121109E-06 0.100000E-04    0.993796E+00
  82    0.150260E-04    0.791731E+02 -0.189787E-06 0.100000E-04    0.999208E+00
  83    0.832378E-05    0.786579E+02 -0.105823E-06 0.100000E-04    0.994137E+00
  84   -0.125210E-04    0.729565E+02  0.171623E-06 0.100000E-04    0.992927E+00
  85    0.229465E-04    0.714081E+02 -0.321344E-06 0.100000E-04    0.995149E+00
  86    0.290440E-04    0.691836E+02 -0.419811E-06 0.100000E-04    0.994884E+00
  87   -0.400022E-05    0.677525E+02  0.590416E-07 0.100000E-04    0.971504E+00
  88   -0.540855E-06    0.634668E+02  0.852185E-08 0.100000E-04    0.989176E+00
  89    0.260574E-04    0.620898E+02 -0.419674E-06 0.100000E-04    0.994140E+00
  90    0.123413E-04    0.596572E+02 -0.206870E-06 0.100000E-04    0.996300E+00
  91    0.548742E-06    0.586483E+02 -0.935649E-08 0.100000E-04    0.965895E+00
  92   -0.296029E-04    0.558287E+02  0.530245E-06 0.100000E-04    0.990864E+00
  93    0.340638E-04    0.535870E+02 -0.635672E-06 0.100000E-04    0.997644E+00
  94    0.174183E-04    0.522750E+02 -0.333206E-06 0.100000E-04    0.993532E+00
  95   -0.319611E-04    0.503028E+02  0.635374E-06 0.100000E-04    0.998061E+00
  96   -0.905579E-05    0.480000E+02  0.188662E-06 0.100000E-04    0.993760E+00
  97   -0.208080E-04    0.435421E+02  0.477882E-06 0.100000E-04    0.995018E+00
  98    0.149559E-04    0.398823E+02 -0.375000E-06 0.100000E-04    0.993710E+00
  99    0.327996E-04    0.373149E+02 -0.878995E-06 0.100000E-04    0.989360E+00
 100    0.312481E-04    0.362058E+02 -0.863070E-06 0.100000E-04    0.999452E+00
 101    0.959373E-04    0.349307E+02 -0.274651E-05 0.100000E-04    0.995233E+00
 102   -0.408873E-04    0.293308E+02  0.139401E-05 0.100000E-04    0.995187E+00
 103    0.307727E-04    0.289533E+02 -0.106284E-05 0.100000E-04    0.997846E+00
 104   -0.399071E-04    0.287238E+02  0.138934E-05 0.100000E-04    0.998880E+00
 105    0.216815E-04    0.233177E+02 -0.929833E-06 0.100000E-04    0.989357E+00
 106   -0.213125E-05    0.219180E+02  0.972372E-07 0.100000E-04    0.895534E+00
 107    0.971869E-04    0.195978E+02 -0.495907E-05 0.100000E-04    0.995570E+00
 108   -0.830237E-04    0.166925E+02  0.497371E-05 0.100000E-04    0.998949E+00
 109   -0.675271E-04    0.138330E+02  0.488159E-05 0.100000E-04    0.996696E+00
 110   -0.696113E-04    0.125196E+02  0.556020E-05 0.100000E-04    0.989546E+00
 111    0.118034E-03    0.112962E+02 -0.100000E-04 0.100000E-04    0.979801E+00
 112    0.180678E-04    0.945932E+01 -0.191005E-05 0.100000E-04    0.992695E+00
 113    0.494869E-02    0.760370E+01 -0.117135E-04 0.117135E-04    0.304821E+00
 114   -0.274337E+00    0.481402E+01 -0.400000E-03 0.400000E-03    0.164043E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5680318667E-01

 Beginning of optimization cycle  124.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3950846549
 potential> RMS force:                                               0.0258783430   |gradient|=.2763050935    
 Eigenvalues of the Hessian matrix:
   720.92746    671.02313    623.89321    603.72065    589.66259    564.57190 
   562.51270    478.51370    469.76264    463.11027    441.45383    431.46394 
   420.54598    405.94678    398.28699    388.48614    366.98945    363.70924 
   352.45706    342.60134    324.25937    322.46488    318.44807    317.04088 
   305.30012    287.38393    279.84756    271.37383    265.76764    262.31345 
   257.76405    253.42888    243.72551    239.18648    234.50310    228.56139 
   224.24862    212.70264    211.26214    209.58911    202.96779    198.45930 
   195.41778    191.62147    186.24391    177.82013    170.75512    168.08035 
   165.71824    160.51790    153.61126    151.03064    148.74690    142.66367 
   136.92033    134.81990    130.98842    127.67364    125.80663    124.74956 
   119.43272    117.94691    116.48491    112.46046    109.98334    105.47167 
   102.83379    100.40165     97.18541     95.06486     91.15688     90.75499 
    88.45142     84.50075     80.88404     79.17668     78.65581     72.95369 
    71.41123     69.17448     67.75555     63.46496     62.08270     59.65709 
    58.65138     55.82918     53.58435     52.27386     50.30263     47.99923 
    43.53762     39.88507     37.30788     36.20604     34.93802     29.32196 
    28.95186     28.72414     23.31272     21.91878     19.59901     16.69479 
    13.83181     12.51641     11.28550      9.46116      7.60411      4.81383 
overlap for current and previous eigenvector    109 is        -0.9999972268
overlap for current and previous eigenvector    110 is        -0.9999942780
overlap for current and previous eigenvector    111 is        -0.9999913658
overlap for current and previous eigenvector    112 is        -0.9999994400
overlap for current and previous eigenvector    113 is        -0.9999991858
overlap for current and previous eigenvector    114 is        -0.9999993779
J1,K1,R1,R2,RAT=   7   7   -0.1395896305         2.139424129        0.8604103695    
FOB,PFOB,DIAG,PSTEP=   -0.9174969744E-07   -0.8051035646E-07     720.9274570        0.1116853277E-09
J1,K1,R1,R2,RAT=   8   8   -0.1791455587E-02     2.001741972        0.9982085444    
FOB,PFOB,DIAG,PSTEP=   -0.1059684191E-05   -0.1057789162E-05     671.0231267        0.1576421574E-08
J1,K1,R1,R2,RAT=   9   9    0.7525127591E-02     1.992409320        0.9924093198    
FOB,PFOB,DIAG,PSTEP=    0.7025713504E-06    0.7078985519E-06     623.8932078       -0.1134684183E-08
J1,K1,R1,R2,RAT=  10  10   -0.7477630428E-02     2.007433043        0.9925223696    
FOB,PFOB,DIAG,PSTEP=    0.1423811027E-05    0.1413243082E-05     603.7206511       -0.2340941272E-08
J1,K1,R1,R2,RAT=  11  11   -0.3657869487E-02     2.003662336        0.9963421305    
FOB,PFOB,DIAG,PSTEP=   -0.9789236642E-06   -0.9753559474E-06     589.6625930        0.1654087916E-08
J1,K1,R1,R2,RAT= 109 109     2.002839558       -0.2663610068E-02    0.9973363899    
FOB,PFOB,DIAG,PSTEP=    0.6770699373E-04   -0.6752714357E-04     13.83181320        0.4881587285E-05
J1,K1,R1,R2,RAT= 110 110     2.018598440       -0.1809206023E-01    0.9819079398    
FOB,PFOB,DIAG,PSTEP=    0.7087039728E-04   -0.6961130416E-04     12.51641037        0.5560195113E-05
J1,K1,R1,R2,RAT= 111 111     2.114873761       -0.2309379507E-01    0.9769062049    
FOB,PFOB,DIAG,PSTEP=   -0.1206401809E-03    0.1180339303E-03     11.28550156       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.973323798        0.2628727598E-01    0.9733237979    
FOB,PFOB,DIAG,PSTEP=   -0.1759276407E-04    0.1806780996E-04     9.461159831       -0.1910053787E-05
J1,K1,R1,R2,RAT= 113 113     112.0070299       -0.8884862006        0.1115137994    
FOB,PFOB,DIAG,PSTEP=   -0.5027826437E-02    0.4948688584E-02     7.604108458       -0.1171346211E-04
J1,K1,R1,R2,RAT= 114 114    -285.9447123        0.9983421580        0.1657841978E-02
FOB,PFOB,DIAG,PSTEP=    0.2762592174       -0.2743368762         4.813833495       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000      0.00000     -0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000      0.00000     -0.00000      0.00001     -0.00000     -0.00002 
    -0.00001     -0.00002      0.00002     -0.00002     -0.00000     -0.00003 
    -0.00003      0.00001     -0.00001     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
    -0.00000      0.00003      0.00003     -0.00002     -0.00003      0.00001 
     0.00002     -0.00002     -0.00003     -0.00003      0.00010     -0.00004 
     0.00003     -0.00004     -0.00002     -0.00000      0.00010      0.00008 
     0.00007      0.00007     -0.00012     -0.00002     -0.00503      0.27626 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4381567392
 Log product of positive Hessian eigenvalues =          520.3965321749
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8138334950
 Unscaled step for mode    7=        0.0000000001
 Unscaled step for mode    8=        0.0000000016
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000052
 Unscaled step for mode   13=       -0.0000000029
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000034
 Unscaled step for mode   17=       -0.0000000032
 Unscaled step for mode   18=       -0.0000000079
 Unscaled step for mode   19=       -0.0000000173
 Unscaled step for mode   20=       -0.0000000202
 Unscaled step for mode   21=       -0.0000000125
 Unscaled step for mode   22=       -0.0000000003
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000251
 Unscaled step for mode   26=        0.0000000397
 Unscaled step for mode   27=        0.0000000220
 Unscaled step for mode   28=        0.0000000154
 Unscaled step for mode   29=        0.0000000251
 Unscaled step for mode   30=        0.0000000238
 Unscaled step for mode   31=        0.0000000080
 Unscaled step for mode   32=        0.0000000019
 Unscaled step for mode   33=       -0.0000000165
 Unscaled step for mode   34=       -0.0000000081
 Unscaled step for mode   35=       -0.0000000506
 Unscaled step for mode   36=       -0.0000000103
 Unscaled step for mode   37=        0.0000000234
 Unscaled step for mode   38=        0.0000000121
 Unscaled step for mode   39=        0.0000000406
 Unscaled step for mode   40=       -0.0000000219
 Unscaled step for mode   41=       -0.0000000275
 Unscaled step for mode   42=        0.0000000123
 Unscaled step for mode   43=       -0.0000000104
 Unscaled step for mode   44=        0.0000000158
 Unscaled step for mode   45=       -0.0000000174
 Unscaled step for mode   46=       -0.0000000297
 Unscaled step for mode   47=        0.0000000714
 Unscaled step for mode   48=        0.0000000033
 Unscaled step for mode   49=       -0.0000000409
 Unscaled step for mode   50=       -0.0000000299
 Unscaled step for mode   51=        0.0000000303
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000339
 Unscaled step for mode   54=        0.0000000189
 Unscaled step for mode   55=       -0.0000000678
 Unscaled step for mode   56=        0.0000000251
 Unscaled step for mode   57=       -0.0000000124
 Unscaled step for mode   58=        0.0000000592
 Unscaled step for mode   59=       -0.0000000381
 Unscaled step for mode   60=        0.0000000664
 Unscaled step for mode   61=       -0.0000000531
 Unscaled step for mode   62=       -0.0000001546
 Unscaled step for mode   63=       -0.0000001032
 Unscaled step for mode   64=       -0.0000000261
 Unscaled step for mode   65=       -0.0000000086
 Unscaled step for mode   66=        0.0000001191
 Unscaled step for mode   67=        0.0000000097
 Unscaled step for mode   68=       -0.0000000349
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=       -0.0000000684
 Unscaled step for mode   71=        0.0000000028
 Unscaled step for mode   72=        0.0000001790
 Unscaled step for mode   73=        0.0000000740
 Unscaled step for mode   74=        0.0000002120
 Unscaled step for mode   75=       -0.0000001554
 Unscaled step for mode   76=        0.0000001884
 Unscaled step for mode   77=        0.0000000116
 Unscaled step for mode   78=        0.0000003696
 Unscaled step for mode   79=        0.0000003468
 Unscaled step for mode   80=       -0.0000001006
 Unscaled step for mode   81=        0.0000001220
 Unscaled step for mode   82=        0.0000001903
 Unscaled step for mode   83=       -0.0000001057
 Unscaled step for mode   84=        0.0000001735
 Unscaled step for mode   85=        0.0000003238
 Unscaled step for mode   86=        0.0000004221
 Unscaled step for mode   87=        0.0000000580
 Unscaled step for mode   88=        0.0000000095
 Unscaled step for mode   89=        0.0000004227
 Unscaled step for mode   90=        0.0000002090
 Unscaled step for mode   91=        0.0000000090
 Unscaled step for mode   92=       -0.0000005341
 Unscaled step for mode   93=       -0.0000006387
 Unscaled step for mode   94=        0.0000003369
 Unscaled step for mode   95=        0.0000006377
 Unscaled step for mode   96=       -0.0000001889
 Unscaled step for mode   97=       -0.0000004818
 Unscaled step for mode   98=        0.0000003774
 Unscaled step for mode   99=        0.0000008938
 Unscaled step for mode  100=        0.0000008651
 Unscaled step for mode  101=       -0.0000027596
 Unscaled step for mode  102=        0.0000014097
 Unscaled step for mode  103=       -0.0000010662
 Unscaled step for mode  104=        0.0000013973
 Unscaled step for mode  105=        0.0000009382
 Unscaled step for mode  106=        0.0000001061
 Unscaled step for mode  107=       -0.0000049930
 Unscaled step for mode  108=       -0.0000049595
 Unscaled step for mode  109=       -0.0000048950
 Unscaled step for mode  110=       -0.0000056622
 Unscaled step for mode  111=        0.0000106898
 Unscaled step for mode  112=        0.0000018595
 Unscaled step for mode  113=        0.0006611984
 Unscaled step for mode  114=        0.0572008390
 Largest modulus ratio of non-zero e/values=           149.7616105    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.221394E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.851641E-15    0.100762E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.318132E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.493529E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.391831E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.317929E-15    0.973554E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.917497E-07    0.720927E+03  0.127266E-09 0.100000E-04    0.860410E+00
   8   -0.105968E-05    0.671023E+03  0.157921E-08 0.100000E-04    0.998209E+00
   9    0.702571E-06    0.623893E+03 -0.112611E-08 0.100000E-04    0.992409E+00
  10    0.142381E-05    0.603721E+03 -0.235839E-08 0.100000E-04    0.992522E+00
  11   -0.978924E-06    0.589663E+03  0.166014E-08 0.100000E-04    0.996342E+00
  12    0.294689E-05    0.564572E+03 -0.521970E-08 0.100000E-04    0.998764E+00
  13    0.161101E-05    0.562513E+03 -0.286396E-08 0.100000E-04    0.996206E+00
  14   -0.563141E-05    0.478514E+03  0.117686E-07 0.100000E-04    0.998204E+00
  15    0.170801E-05    0.469763E+03 -0.363590E-08 0.100000E-04    0.995659E+00
  16    0.155538E-05    0.463110E+03 -0.335854E-08 0.100000E-04    0.984940E+00
  17    0.139689E-05    0.441454E+03 -0.316430E-08 0.100000E-04    0.981252E+00
  18    0.341004E-05    0.431464E+03 -0.790342E-08 0.100000E-04    0.997093E+00
  19    0.725823E-05    0.420546E+03 -0.172591E-07 0.100000E-04    0.993339E+00
  20    0.819096E-05    0.405947E+03 -0.201774E-07 0.100000E-04    0.996477E+00
  21    0.498781E-05    0.398287E+03 -0.125232E-07 0.100000E-04    0.993684E+00
  22    0.127913E-06    0.388486E+03 -0.329259E-09 0.100000E-04    0.770828E+00
  23   -0.185253E-05    0.366989E+03  0.504790E-08 0.100000E-04    0.998688E+00
  24    0.188406E-05    0.363709E+03 -0.518013E-08 0.100000E-04    0.998827E+00
  25   -0.883057E-05    0.352457E+03  0.250543E-07 0.100000E-04    0.993943E+00
  26   -0.136170E-04    0.342601E+03  0.397458E-07 0.100000E-04    0.992606E+00
  27   -0.711770E-05    0.324259E+03  0.219506E-07 0.100000E-04    0.994941E+00
  28   -0.496912E-05    0.322465E+03  0.154098E-07 0.100000E-04    0.992917E+00
  29   -0.799724E-05    0.318448E+03  0.251132E-07 0.100000E-04    0.999651E+00
  30   -0.754464E-05    0.317041E+03  0.237971E-07 0.100000E-04    0.981269E+00
  31   -0.245280E-05    0.305300E+03  0.803407E-08 0.100000E-04    0.991524E+00
  32   -0.550574E-06    0.287384E+03  0.191581E-08 0.100000E-04    0.959382E+00
  33    0.461430E-05    0.279848E+03 -0.164886E-07 0.100000E-04    0.992086E+00
  34    0.218457E-05    0.271374E+03 -0.805004E-08 0.100000E-04    0.985867E+00
  35    0.134602E-04    0.265768E+03 -0.506466E-07 0.100000E-04    0.994697E+00
  36    0.269911E-05    0.262313E+03 -0.102896E-07 0.100000E-04    0.984267E+00
  37   -0.601993E-05    0.257764E+03  0.233544E-07 0.100000E-04    0.992635E+00
  38   -0.305672E-05    0.253429E+03  0.120615E-07 0.100000E-04    0.998413E+00
  39   -0.988474E-05    0.243726E+03  0.405569E-07 0.100000E-04    0.993100E+00
  40    0.523477E-05    0.239186E+03 -0.218857E-07 0.100000E-04    0.988238E+00
  41    0.644378E-05    0.234503E+03 -0.274785E-07 0.100000E-04    0.987070E+00
  42   -0.280520E-05    0.228561E+03  0.122733E-07 0.100000E-04    0.990892E+00
  43    0.232475E-05    0.224249E+03 -0.103668E-07 0.100000E-04    0.992711E+00
  44   -0.337042E-05    0.212703E+03  0.158457E-07 0.100000E-04    0.989361E+00
  45    0.367160E-05    0.211262E+03 -0.173794E-07 0.100000E-04    0.997324E+00
  46    0.623045E-05    0.209589E+03 -0.297270E-07 0.100000E-04    0.992053E+00
  47   -0.145020E-04    0.202968E+03  0.714497E-07 0.100000E-04    0.993955E+00
  48   -0.661662E-06    0.198459E+03  0.333399E-08 0.100000E-04    0.977594E+00
  49    0.799149E-05    0.195418E+03 -0.408944E-07 0.100000E-04    0.992614E+00
  50    0.572667E-05    0.191621E+03 -0.298853E-07 0.100000E-04    0.990478E+00
  51   -0.563594E-05    0.186244E+03  0.302611E-07 0.100000E-04    0.994882E+00
  52    0.352433E-06    0.177820E+03 -0.198196E-08 0.100000E-04    0.994052E+00
  53   -0.578856E-05    0.170755E+03  0.338998E-07 0.100000E-04    0.996021E+00
  54   -0.316832E-05    0.168080E+03  0.188501E-07 0.100000E-04    0.990173E+00
  55    0.112409E-04    0.165718E+03 -0.678314E-07 0.100000E-04    0.994733E+00
  56   -0.402764E-05    0.160518E+03  0.250915E-07 0.100000E-04    0.992049E+00
  57    0.191016E-05    0.153611E+03 -0.124350E-07 0.100000E-04    0.994313E+00
  58   -0.894114E-05    0.151031E+03  0.592008E-07 0.100000E-04    0.992262E+00
  59    0.566853E-05    0.148747E+03 -0.381086E-07 0.100000E-04    0.998062E+00
  60   -0.947811E-05    0.142664E+03  0.664367E-07 0.100000E-04    0.995795E+00
  61    0.726926E-05    0.136920E+03 -0.530912E-07 0.100000E-04    0.990300E+00
  62    0.208457E-04    0.134820E+03 -0.154619E-06 0.100000E-04    0.994410E+00
  63    0.135147E-04    0.130988E+03 -0.103175E-06 0.100000E-04    0.992502E+00
  64    0.333550E-05    0.127674E+03 -0.261252E-07 0.100000E-04    0.987658E+00
  65    0.108000E-05    0.125807E+03 -0.858462E-08 0.100000E-04    0.994784E+00
  66   -0.148630E-04    0.124750E+03  0.119143E-06 0.100000E-04    0.992754E+00
  67   -0.116206E-05    0.119433E+03  0.972981E-08 0.100000E-04    0.995805E+00
  68    0.412134E-05    0.117947E+03 -0.349423E-07 0.100000E-04    0.991648E+00
  69   -0.804566E-07    0.116485E+03  0.690704E-09 0.100000E-04    0.456468E+00
  70    0.768840E-05    0.112460E+03 -0.683654E-07 0.100000E-04    0.992053E+00
  71   -0.308223E-06    0.109983E+03  0.280245E-08 0.100000E-04    0.935045E+00
  72   -0.188745E-04    0.105472E+03  0.178953E-06 0.100000E-04    0.990527E+00
  73   -0.761117E-05    0.102834E+03  0.740143E-07 0.100000E-04    0.988695E+00
  74   -0.212878E-04    0.100402E+03  0.212026E-06 0.100000E-04    0.993536E+00
  75    0.151040E-04    0.971854E+02 -0.155414E-06 0.100000E-04    0.990706E+00
  76   -0.179077E-04    0.950649E+02  0.188373E-06 0.100000E-04    0.993254E+00
  77   -0.105753E-05    0.911569E+02  0.116012E-07 0.100000E-04    0.973434E+00
  78   -0.335422E-04    0.907550E+02  0.369590E-06 0.100000E-04    0.993527E+00
  79   -0.306733E-04    0.884514E+02  0.346781E-06 0.100000E-04    0.996898E+00
  80    0.850306E-05    0.845007E+02 -0.100627E-06 0.100000E-04    0.991579E+00
  81   -0.987017E-05    0.808840E+02  0.122029E-06 0.100000E-04    0.992406E+00
  82   -0.150686E-04    0.791767E+02  0.190316E-06 0.100000E-04    0.997166E+00
  83    0.831668E-05    0.786558E+02 -0.105735E-06 0.100000E-04    0.999146E+00
  84   -0.126598E-04    0.729537E+02  0.173532E-06 0.100000E-04    0.988914E+00
  85   -0.231225E-04    0.714112E+02  0.323794E-06 0.100000E-04    0.992330E+00
  86   -0.291997E-04    0.691745E+02  0.422117E-06 0.100000E-04    0.994638E+00
  87   -0.392648E-05    0.677556E+02  0.579506E-07 0.100000E-04    0.981477E+00
  88   -0.603017E-06    0.634650E+02  0.950158E-08 0.100000E-04    0.885063E+00
  89   -0.262427E-04    0.620827E+02  0.422705E-06 0.100000E-04    0.992891E+00
  90   -0.124711E-04    0.596571E+02  0.209046E-06 0.100000E-04    0.989484E+00
  91   -0.527540E-06    0.586514E+02  0.899450E-08 0.100000E-04    0.961259E+00
  92    0.298167E-04    0.558292E+02 -0.534070E-06 0.100000E-04    0.992779E+00
  93    0.342248E-04    0.535844E+02 -0.638708E-06 0.100000E-04    0.995273E+00
  94   -0.176088E-04    0.522739E+02  0.336857E-06 0.100000E-04    0.989066E+00
  95   -0.320775E-04    0.503026E+02  0.637690E-06 0.100000E-04    0.996357E+00
  96    0.906567E-05    0.479992E+02 -0.188871E-06 0.100000E-04    0.998909E+00
  97    0.209781E-04    0.435376E+02 -0.481839E-06 0.100000E-04    0.991824E+00
  98   -0.150506E-04    0.398851E+02  0.377350E-06 0.100000E-04    0.993665E+00
  99   -0.333472E-04    0.373079E+02  0.893839E-06 0.100000E-04    0.983300E+00
 100   -0.313212E-04    0.362060E+02  0.865081E-06 0.100000E-04    0.997664E+00
 101    0.964164E-04    0.349380E+02 -0.275964E-05 0.100000E-04    0.995007E+00
 102   -0.413356E-04    0.293220E+02  0.140972E-05 0.100000E-04    0.989032E+00
 103    0.308690E-04    0.289519E+02 -0.106622E-05 0.100000E-04    0.996872E+00
 104   -0.401366E-04    0.287241E+02  0.139731E-05 0.100000E-04    0.994250E+00
 105   -0.218713E-04    0.233127E+02  0.938169E-06 0.100000E-04    0.991247E+00
 106   -0.232617E-05    0.219188E+02  0.106127E-06 0.100000E-04    0.908544E+00
 107    0.978574E-04    0.195990E+02 -0.499298E-05 0.100000E-04    0.993102E+00
 108    0.827970E-04    0.166948E+02 -0.495945E-05 0.100000E-04    0.996995E+00
 109    0.677070E-04    0.138318E+02 -0.489502E-05 0.100000E-04    0.997336E+00
 110    0.708704E-04    0.125164E+02 -0.566220E-05 0.100000E-04    0.981908E+00
 111   -0.120640E-03    0.112855E+02  0.100000E-04 0.100000E-04    0.976906E+00
 112   -0.175928E-04    0.946116E+01  0.185947E-05 0.100000E-04    0.973324E+00
 113   -0.502783E-02    0.760411E+01  0.127677E-04 0.127677E-04    0.111514E+00
 114    0.276259E+00    0.481383E+01  0.400000E-03 0.400000E-03    0.165784E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5720083904E-01

 Beginning of optimization cycle  125.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3949738315
 potential> RMS force:                                               0.0260584685   |gradient|=.2782283075    
 Eigenvalues of the Hessian matrix:
   720.98708    671.03960    623.91353    603.73410    589.66110    564.59255 
   562.55129    478.53063    469.74002    463.09929    441.45152    431.45384 
   420.55380    405.95764    398.28323    388.49021    366.99139    363.69890 
   352.44787    342.56196    324.26518    322.44689    318.43860    317.05247 
   305.29751    287.38658    279.84340    271.36751    265.76801    262.32207 
   257.76802    253.43056    243.71289    239.17437    234.51443    228.56391 
   224.22988    212.70120    211.26707    209.57765    202.97045    198.45475 
   195.42030    191.62106    186.23706    177.80542    170.75793    168.07809 
   165.71695    160.51392    153.60740    151.02974    148.75324    142.66757 
   136.92079    134.82485    130.98735    127.67309    125.81007    124.75638 
   119.43329    117.94668    116.48856    112.45309    109.97438    105.46780 
   102.83437    100.39731     97.18340     95.06572     91.15076     90.76165 
    88.46309     84.50222     80.88408     79.18023     78.65376     72.95091 
    71.41434     69.16536     67.75850     63.46312     62.07552     59.65696 
    58.65443     55.82960     53.58167     52.27273     50.30248     47.99840 
    43.53310     39.88784     37.30093     36.20612     34.94535     29.31312 
    28.95038     28.72444     23.30783     21.91952     19.60024     16.69705 
    13.83061     12.51328     11.27472      9.46300      7.60449      4.81361 
overlap for current and previous eigenvector    109 is        -0.9999972609
overlap for current and previous eigenvector    110 is        -0.9999943900
overlap for current and previous eigenvector    111 is         0.9999914798
overlap for current and previous eigenvector    112 is         0.9999994304
overlap for current and previous eigenvector    113 is         0.9999991826
overlap for current and previous eigenvector    114 is         0.9999993818
J1,K1,R1,R2,RAT=   7   7   -0.8516572339E-01     2.085000344        0.9148342766    
FOB,PFOB,DIAG,PSTEP=   -0.9956427298E-07   -0.9174969744E-07     720.9870753        0.1272661993E-09
J1,K1,R1,R2,RAT=   8   8   -0.2334786260E-01     2.023298759        0.9766521374    
FOB,PFOB,DIAG,PSTEP=   -0.1084426159E-05   -0.1059684191E-05     671.0396021        0.1579206660E-08
J1,K1,R1,R2,RAT=   9   9   -0.1241545323E-01     2.012350320        0.9875845468    
FOB,PFOB,DIAG,PSTEP=    0.7112943762E-06    0.7025713504E-06     623.9135265       -0.1126108349E-08
J1,K1,R1,R2,RAT=  10  10    0.1897377255E-02     1.998058062        0.9980580616    
FOB,PFOB,DIAG,PSTEP=    0.1421109460E-05    0.1423811027E-05     603.7341027       -0.2358393778E-08
J1,K1,R1,R2,RAT=  11  11    0.4815427343E-04     1.999956917        0.9999518457    
FOB,PFOB,DIAG,PSTEP=   -0.9788765250E-06   -0.9789236642E-06     589.6610978        0.1660142047E-08
J1,K1,R1,R2,RAT= 109 109     2.003347822       -0.3173442609E-02    0.9968265574    
FOB,PFOB,DIAG,PSTEP=   -0.6792183925E-04    0.6770699373E-04     13.83060731       -0.4895019383E-05
J1,K1,R1,R2,RAT= 110 110     2.010752266       -0.1025198119E-01    0.9897480188    
FOB,PFOB,DIAG,PSTEP=   -0.7159677756E-04    0.7087039728E-04     12.51328027       -0.5662198281E-05
J1,K1,R1,R2,RAT= 111 111   -0.3114742950E-01     2.171159399        0.9688525705    
FOB,PFOB,DIAG,PSTEP=   -0.1241519664E-03   -0.1206401809E-03     11.27472020        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.7353049713E-02     1.992257709        0.9922577094    
FOB,PFOB,DIAG,PSTEP=   -0.1746337842E-04   -0.1759276407E-04     9.463001524        0.1859472241E-05
J1,K1,R1,R2,RAT= 113 113   -0.7335528574         104.3022757        0.2664471426    
FOB,PFOB,DIAG,PSTEP=   -0.5099048257E-02   -0.5027826437E-02     7.604486219        0.1276767370E-04
J1,K1,R1,R2,RAT= 114 114    0.9983320292        -287.9547138        0.1667970848E-02
FOB,PFOB,DIAG,PSTEP=    0.2781814498        0.2762592174         4.813609923        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001     -0.00000      0.00000     -0.00001      0.00001      0.00001 
    -0.00001     -0.00002      0.00001      0.00000      0.00000     -0.00001 
    -0.00000     -0.00000     -0.00000     -0.00001      0.00000      0.00002 
     0.00001      0.00002     -0.00002     -0.00002      0.00000     -0.00003 
    -0.00003     -0.00001      0.00001      0.00002     -0.00001      0.00001 
     0.00002      0.00003      0.00000     -0.00000     -0.00003      0.00001 
    -0.00000      0.00003      0.00003     -0.00002      0.00003      0.00001 
    -0.00002     -0.00002      0.00003     -0.00003     -0.00010     -0.00004 
    -0.00003     -0.00004      0.00002     -0.00000      0.00010     -0.00008 
    -0.00007     -0.00007     -0.00012     -0.00002     -0.00510      0.27818 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4381868425
 Log product of positive Hessian eigenvalues =          520.3947265634
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8136099226
 Unscaled step for mode    7=        0.0000000001
 Unscaled step for mode    8=        0.0000000016
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000052
 Unscaled step for mode   13=       -0.0000000028
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000034
 Unscaled step for mode   17=       -0.0000000032
 Unscaled step for mode   18=       -0.0000000079
 Unscaled step for mode   19=       -0.0000000174
 Unscaled step for mode   20=       -0.0000000202
 Unscaled step for mode   21=       -0.0000000126
 Unscaled step for mode   22=       -0.0000000004
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000252
 Unscaled step for mode   26=        0.0000000400
 Unscaled step for mode   27=        0.0000000221
 Unscaled step for mode   28=        0.0000000153
 Unscaled step for mode   29=        0.0000000252
 Unscaled step for mode   30=        0.0000000242
 Unscaled step for mode   31=        0.0000000082
 Unscaled step for mode   32=        0.0000000020
 Unscaled step for mode   33=       -0.0000000166
 Unscaled step for mode   34=       -0.0000000081
 Unscaled step for mode   35=       -0.0000000510
 Unscaled step for mode   36=       -0.0000000104
 Unscaled step for mode   37=        0.0000000235
 Unscaled step for mode   38=        0.0000000121
 Unscaled step for mode   39=        0.0000000408
 Unscaled step for mode   40=       -0.0000000222
 Unscaled step for mode   41=       -0.0000000278
 Unscaled step for mode   42=        0.0000000124
 Unscaled step for mode   43=       -0.0000000105
 Unscaled step for mode   44=        0.0000000163
 Unscaled step for mode   45=       -0.0000000174
 Unscaled step for mode   46=       -0.0000000301
 Unscaled step for mode   47=        0.0000000720
 Unscaled step for mode   48=        0.0000000032
 Unscaled step for mode   49=       -0.0000000413
 Unscaled step for mode   50=       -0.0000000300
 Unscaled step for mode   51=        0.0000000305
 Unscaled step for mode   52=       -0.0000000020
 Unscaled step for mode   53=        0.0000000341
 Unscaled step for mode   54=       -0.0000000191
 Unscaled step for mode   55=        0.0000000683
 Unscaled step for mode   56=        0.0000000252
 Unscaled step for mode   57=       -0.0000000126
 Unscaled step for mode   58=        0.0000000596
 Unscaled step for mode   59=       -0.0000000384
 Unscaled step for mode   60=       -0.0000000671
 Unscaled step for mode   61=        0.0000000534
 Unscaled step for mode   62=        0.0000001554
 Unscaled step for mode   63=       -0.0000001036
 Unscaled step for mode   64=       -0.0000000265
 Unscaled step for mode   65=       -0.0000000083
 Unscaled step for mode   66=        0.0000001198
 Unscaled step for mode   67=        0.0000000099
 Unscaled step for mode   68=        0.0000000352
 Unscaled step for mode   69=        0.0000000008
 Unscaled step for mode   70=        0.0000000692
 Unscaled step for mode   71=       -0.0000000029
 Unscaled step for mode   72=       -0.0000001801
 Unscaled step for mode   73=       -0.0000000749
 Unscaled step for mode   74=       -0.0000002130
 Unscaled step for mode   75=        0.0000001572
 Unscaled step for mode   76=        0.0000001897
 Unscaled step for mode   77=       -0.0000000124
 Unscaled step for mode   78=        0.0000003728
 Unscaled step for mode   79=        0.0000003474
 Unscaled step for mode   80=        0.0000001016
 Unscaled step for mode   81=       -0.0000001228
 Unscaled step for mode   82=       -0.0000001904
 Unscaled step for mode   83=        0.0000001064
 Unscaled step for mode   84=       -0.0000001748
 Unscaled step for mode   85=       -0.0000003253
 Unscaled step for mode   86=       -0.0000004243
 Unscaled step for mode   87=       -0.0000000561
 Unscaled step for mode   88=        0.0000000096
 Unscaled step for mode   89=        0.0000004252
 Unscaled step for mode   90=       -0.0000002098
 Unscaled step for mode   91=        0.0000000087
 Unscaled step for mode   92=       -0.0000005389
 Unscaled step for mode   93=       -0.0000006402
 Unscaled step for mode   94=        0.0000003390
 Unscaled step for mode   95=       -0.0000006389
 Unscaled step for mode   96=       -0.0000001900
 Unscaled step for mode   97=        0.0000004843
 Unscaled step for mode   98=        0.0000003797
 Unscaled step for mode   99=       -0.0000009035
 Unscaled step for mode  100=        0.0000008653
 Unscaled step for mode  101=        0.0000027718
 Unscaled step for mode  102=        0.0000014172
 Unscaled step for mode  103=        0.0000010681
 Unscaled step for mode  104=        0.0000013988
 Unscaled step for mode  105=       -0.0000009481
 Unscaled step for mode  106=        0.0000000949
 Unscaled step for mode  107=       -0.0000050143
 Unscaled step for mode  108=        0.0000049541
 Unscaled step for mode  109=        0.0000049110
 Unscaled step for mode  110=        0.0000057217
 Unscaled step for mode  111=        0.0000110115
 Unscaled step for mode  112=        0.0000018454
 Unscaled step for mode  113=        0.0006705313
 Unscaled step for mode  114=        0.0575988813
 Largest modulus ratio of non-zero e/values=           149.7809517    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.653991E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.389120E-15    0.100762E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.196457E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.871699E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.465309E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.434616E-15    0.973555E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.995643E-07    0.720987E+03  0.138094E-09 0.100000E-04    0.914834E+00
   8   -0.108443E-05    0.671040E+03  0.161604E-08 0.100000E-04    0.976652E+00
   9    0.711294E-06    0.623914E+03 -0.114005E-08 0.100000E-04    0.987585E+00
  10    0.142111E-05    0.603734E+03 -0.235387E-08 0.100000E-04    0.998058E+00
  11   -0.978877E-06    0.589661E+03  0.166007E-08 0.100000E-04    0.999952E+00
  12    0.296239E-05    0.564593E+03 -0.524696E-08 0.100000E-04    0.994741E+00
  13    0.158455E-05    0.562551E+03 -0.281672E-08 0.100000E-04    0.983436E+00
  14   -0.563427E-05    0.478531E+03  0.117741E-07 0.100000E-04    0.999493E+00
  15    0.171914E-05    0.469740E+03 -0.365978E-08 0.100000E-04    0.993481E+00
  16    0.156654E-05    0.463099E+03 -0.338273E-08 0.100000E-04    0.992823E+00
  17    0.140297E-05    0.441452E+03 -0.317807E-08 0.100000E-04    0.995654E+00
  18    0.342893E-05    0.431454E+03 -0.794739E-08 0.100000E-04    0.994460E+00
  19    0.729962E-05    0.420554E+03 -0.173572E-07 0.100000E-04    0.994297E+00
  20    0.820392E-05    0.405958E+03 -0.202088E-07 0.100000E-04    0.998418E+00
  21    0.501134E-05    0.398283E+03 -0.125823E-07 0.100000E-04    0.995283E+00
  22    0.146357E-06    0.388490E+03 -0.376734E-09 0.100000E-04    0.855804E+00
  23   -0.184519E-05    0.366991E+03  0.502789E-08 0.100000E-04    0.996030E+00
  24    0.188311E-05    0.363699E+03 -0.517766E-08 0.100000E-04    0.999494E+00
  25   -0.888788E-05    0.352448E+03  0.252176E-07 0.100000E-04    0.993510E+00
  26   -0.137146E-04    0.342562E+03  0.400354E-07 0.100000E-04    0.992829E+00
  27   -0.716414E-05    0.324265E+03  0.220935E-07 0.100000E-04    0.993475E+00
  28   -0.493930E-05    0.322447E+03  0.153182E-07 0.100000E-04    0.993997E+00
  29   -0.801923E-05    0.318439E+03  0.251830E-07 0.100000E-04    0.997251E+00
  30   -0.768787E-05    0.317052E+03  0.242479E-07 0.100000E-04    0.981017E+00
  31   -0.249405E-05    0.305298E+03  0.816924E-08 0.100000E-04    0.983183E+00
  32   -0.565005E-06    0.287387E+03  0.196601E-08 0.100000E-04    0.973790E+00
  33    0.463990E-05    0.279843E+03 -0.165803E-07 0.100000E-04    0.994452E+00
  34    0.219491E-05    0.271368E+03 -0.808833E-08 0.100000E-04    0.995267E+00
  35    0.135541E-04    0.265768E+03 -0.509998E-07 0.100000E-04    0.993025E+00
  36    0.273268E-05    0.262322E+03 -0.104173E-07 0.100000E-04    0.987561E+00
  37   -0.606985E-05    0.257768E+03  0.235477E-07 0.100000E-04    0.991708E+00
  38   -0.307885E-05    0.253431E+03  0.121487E-07 0.100000E-04    0.992760E+00
  39   -0.994197E-05    0.243713E+03  0.407938E-07 0.100000E-04    0.994210E+00
  40    0.531056E-05    0.239174E+03 -0.222037E-07 0.100000E-04    0.985521E+00
  41    0.652580E-05    0.234514E+03 -0.278269E-07 0.100000E-04    0.987273E+00
  42   -0.283587E-05    0.228564E+03  0.124073E-07 0.100000E-04    0.989068E+00
  43    0.235919E-05    0.224230E+03 -0.105213E-07 0.100000E-04    0.985184E+00
  44   -0.346316E-05    0.212701E+03  0.162818E-07 0.100000E-04    0.972483E+00
  45    0.367433E-05    0.211267E+03 -0.173919E-07 0.100000E-04    0.999258E+00
  46    0.631245E-05    0.209578E+03 -0.301199E-07 0.100000E-04    0.986837E+00
  47   -0.146231E-04    0.202970E+03  0.720454E-07 0.100000E-04    0.991649E+00
  48   -0.644960E-06    0.198455E+03  0.324991E-08 0.100000E-04    0.974757E+00
  49    0.807129E-05    0.195420E+03 -0.413022E-07 0.100000E-04    0.990014E+00
  50    0.574250E-05    0.191621E+03 -0.299680E-07 0.100000E-04    0.997236E+00
  51   -0.568895E-05    0.186237E+03  0.305468E-07 0.100000E-04    0.990595E+00
  52    0.346803E-06    0.177805E+03 -0.195046E-08 0.100000E-04    0.984023E+00
  53   -0.582812E-05    0.170758E+03  0.341309E-07 0.100000E-04    0.993167E+00
  54    0.321764E-05    0.168078E+03 -0.191437E-07 0.100000E-04    0.984433E+00
  55   -0.113146E-04    0.165717E+03  0.682765E-07 0.100000E-04    0.993446E+00
  56   -0.403775E-05    0.160514E+03  0.251551E-07 0.100000E-04    0.997490E+00
  57    0.193360E-05    0.153607E+03 -0.125879E-07 0.100000E-04    0.987730E+00
  58   -0.899586E-05    0.151030E+03  0.595635E-07 0.100000E-04    0.993880E+00
  59    0.571622E-05    0.148753E+03 -0.384275E-07 0.100000E-04    0.991588E+00
  60    0.956758E-05    0.142668E+03 -0.670621E-07 0.100000E-04    0.990560E+00
  61   -0.731630E-05    0.136921E+03  0.534345E-07 0.100000E-04    0.993529E+00
  62   -0.209479E-04    0.134825E+03  0.155371E-06 0.100000E-04    0.995100E+00
  63    0.135729E-04    0.130987E+03 -0.103620E-06 0.100000E-04    0.995693E+00
  64    0.338651E-05    0.127673E+03 -0.265248E-07 0.100000E-04    0.984706E+00
  65    0.105030E-05    0.125810E+03 -0.834833E-08 0.100000E-04    0.972448E+00
  66   -0.149460E-04    0.124756E+03  0.119802E-06 0.100000E-04    0.994415E+00
  67   -0.118149E-05    0.119433E+03  0.989245E-08 0.100000E-04    0.983280E+00
  68   -0.415049E-05    0.117947E+03  0.351895E-07 0.100000E-04    0.992927E+00
  69   -0.960680E-07    0.116489E+03  0.824699E-09 0.100000E-04    0.805971E+00
  70   -0.778433E-05    0.112453E+03  0.692229E-07 0.100000E-04    0.987523E+00
  71    0.318724E-06    0.109974E+03 -0.289817E-08 0.100000E-04    0.965929E+00
  72    0.189943E-04    0.105468E+03 -0.180096E-06 0.100000E-04    0.993651E+00
  73    0.770658E-05    0.102834E+03 -0.749417E-07 0.100000E-04    0.987465E+00
  74    0.213848E-04    0.100397E+03 -0.213002E-06 0.100000E-04    0.995441E+00
  75   -0.152819E-04    0.971834E+02  0.157249E-06 0.100000E-04    0.988216E+00
  76   -0.180372E-04    0.950657E+02  0.189734E-06 0.100000E-04    0.992767E+00
  77    0.113337E-05    0.911508E+02 -0.124340E-07 0.100000E-04    0.928281E+00
  78   -0.338338E-04    0.907617E+02  0.372777E-06 0.100000E-04    0.991305E+00
  79   -0.307348E-04    0.884631E+02  0.347431E-06 0.100000E-04    0.997994E+00
  80   -0.858709E-05    0.845022E+02  0.101620E-06 0.100000E-04    0.990119E+00
  81    0.993040E-05    0.808841E+02 -0.122773E-06 0.100000E-04    0.993897E+00
  82    0.150774E-04    0.791802E+02 -0.190419E-06 0.100000E-04    0.999412E+00
  83   -0.836670E-05    0.786538E+02  0.106374E-06 0.100000E-04    0.993985E+00
  84    0.127486E-04    0.729509E+02 -0.174756E-06 0.100000E-04    0.992985E+00
  85    0.232332E-04    0.714143E+02 -0.325330E-06 0.100000E-04    0.995213E+00
  86    0.293453E-04    0.691654E+02 -0.424277E-06 0.100000E-04    0.995016E+00
  87    0.380461E-05    0.677585E+02 -0.561496E-07 0.100000E-04    0.968878E+00
  88   -0.608598E-06    0.634631E+02  0.958979E-08 0.100000E-04    0.990745E+00
  89   -0.263947E-04    0.620755E+02  0.425203E-06 0.100000E-04    0.994207E+00
  90    0.125167E-04    0.596570E+02 -0.209811E-06 0.100000E-04    0.996341E+00
  91   -0.508283E-06    0.586544E+02  0.866573E-08 0.100000E-04    0.963396E+00
  92    0.300840E-04    0.558296E+02 -0.538854E-06 0.100000E-04    0.991034E+00
  93    0.343016E-04    0.535817E+02 -0.640175E-06 0.100000E-04    0.997754E+00
  94   -0.177215E-04    0.522727E+02  0.339019E-06 0.100000E-04    0.993602E+00
  95    0.321360E-04    0.503025E+02 -0.638856E-06 0.100000E-04    0.998175E+00
  96    0.912130E-05    0.479984E+02 -0.190034E-06 0.100000E-04    0.993863E+00
  97   -0.210810E-04    0.435331E+02  0.484252E-06 0.100000E-04    0.995095E+00
  98   -0.151444E-04    0.398878E+02  0.379675E-06 0.100000E-04    0.993769E+00
  99    0.337019E-04    0.373009E+02 -0.903514E-06 0.100000E-04    0.989363E+00
 100   -0.313284E-04    0.362061E+02  0.865280E-06 0.100000E-04    0.999767E+00
 101   -0.968632E-04    0.349454E+02  0.277185E-05 0.100000E-04    0.995368E+00
 102   -0.415428E-04    0.293131E+02  0.141721E-05 0.100000E-04    0.994986E+00
 103   -0.309210E-04    0.289504E+02  0.106807E-05 0.100000E-04    0.998313E+00
 104   -0.401786E-04    0.287244E+02  0.139876E-05 0.100000E-04    0.998953E+00
 105    0.220987E-04    0.233078E+02 -0.948123E-06 0.100000E-04    0.989600E+00
 106   -0.207943E-05    0.219195E+02  0.948666E-07 0.100000E-04    0.893864E+00
 107    0.982809E-04    0.196002E+02 -0.501427E-05 0.100000E-04    0.995673E+00
 108   -0.827182E-04    0.166970E+02  0.495406E-05 0.100000E-04    0.998777E+00
 109   -0.679218E-04    0.138306E+02  0.491098E-05 0.100000E-04    0.996827E+00
 110   -0.715968E-04    0.125133E+02  0.572166E-05 0.100000E-04    0.989748E+00
 111   -0.124152E-03    0.112747E+02  0.100000E-04 0.100000E-04    0.968853E+00
 112   -0.174634E-04    0.946300E+01  0.184544E-05 0.100000E-04    0.992258E+00
 113   -0.509905E-02    0.760449E+01  0.115024E-04 0.115024E-04    0.266447E+00
 114    0.278181E+00    0.481361E+01  0.400000E-03 0.400000E-03    0.166797E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5759888125E-01

 Beginning of optimization cycle  126.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3948622339
 potential> RMS force:                                               0.0262385996   |gradient|=.2801515810    
 Eigenvalues of the Hessian matrix:
   721.04677    671.05613    623.93382    603.74730    589.65964    564.61314 
   562.58984    478.54763    469.71741    463.08829    441.44920    431.44366 
   420.56156    405.96848    398.27944    388.49425    366.99330    363.68859 
   352.43861    342.52254    324.27095    322.42918    318.42933    317.06359 
   305.29485    287.38926    279.83923    271.36116    265.76839    262.33066 
   257.77193    253.43224    243.70029    239.16216    234.52575    228.56639 
   224.21110    212.69983    211.27198    209.56612    202.97309    198.45019 
   195.42278    191.62067    186.23015    177.79073    170.76080    168.07575 
   165.71565    160.50993    153.60358    151.02881    148.75961    142.67148 
   136.92125    134.82977    130.98629    127.67254    125.81350    124.76320 
   119.43389    117.94647    116.49223    112.44572    109.96542    105.46397 
   102.83497    100.39297     97.18137     95.06660     91.14463     90.76833 
    88.47474     84.50370     80.88413     79.18378     78.65171     72.94816 
    71.41751     69.15625     67.76148     63.46131     62.06834     59.65683 
    58.65748     55.83006     53.57899     52.27163     50.30232     47.99760 
    43.52858     39.89061     37.29404     36.20624     34.95273     29.30433 
    28.94888     28.72473     23.30293     21.92023     19.60155     16.69929 
    13.82942     12.51018     11.26391      9.46483      7.60487      4.81336 
overlap for current and previous eigenvector    109 is         0.9999973033
overlap for current and previous eigenvector    110 is         0.9999945012
overlap for current and previous eigenvector    111 is        -0.9999916126
overlap for current and previous eigenvector    112 is        -0.9999994218
overlap for current and previous eigenvector    113 is        -0.9999991760
overlap for current and previous eigenvector    114 is         0.9999993847
J1,K1,R1,R2,RAT=   7   7   -0.1147248448         2.114559261        0.8852751552    
FOB,PFOB,DIAG,PSTEP=   -0.1109877145E-06   -0.9956427298E-07     721.0467722        0.1380943936E-09
J1,K1,R1,R2,RAT=   8   8   -0.1985467351E-02     2.001936223        0.9980145326    
FOB,PFOB,DIAG,PSTEP=   -0.1086579305E-05   -0.1084426159E-05     671.0561251        0.1616038988E-08
J1,K1,R1,R2,RAT=   9   9    0.7352344465E-02     1.992582613        0.9925826131    
FOB,PFOB,DIAG,PSTEP=    0.7060645248E-06    0.7112943762E-06     623.9338176       -0.1140052821E-08
J1,K1,R1,R2,RAT=  10  10   -0.7390075848E-02     2.007346366        0.9926099242    
FOB,PFOB,DIAG,PSTEP=    0.1431611796E-05    0.1421109460E-05     603.7472974       -0.2353866469E-08
J1,K1,R1,R2,RAT=  11  11   -0.3620698742E-02     2.003625651        0.9963793013    
FOB,PFOB,DIAG,PSTEP=   -0.9824207332E-06   -0.9788765250E-06     589.6596378        0.1660066314E-08
J1,K1,R1,R2,RAT= 109 109   -0.2545344019E-02     2.002716769        0.9974546560    
FOB,PFOB,DIAG,PSTEP=   -0.6809470889E-04   -0.6792183925E-04     13.82942196        0.4910980243E-05
J1,K1,R1,R2,RAT= 110 110   -0.1766863943E-01     2.018165059        0.9823313606    
FOB,PFOB,DIAG,PSTEP=   -0.7286148130E-04   -0.7159677756E-04     12.51017512        0.5721663386E-05
J1,K1,R1,R2,RAT= 111 111     2.238330795       -0.3390939813E-01    0.9660906019    
FOB,PFOB,DIAG,PSTEP=    0.1279714888E-03   -0.1241519664E-03     11.26390504        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.972192192        0.2742055545E-01    0.9721921923    
FOB,PFOB,DIAG,PSTEP=    0.1698443015E-04   -0.1746337842E-04     9.464834164        0.1845437558E-05
J1,K1,R1,R2,RAT= 113 113     117.5147181       -0.9308048470        0.6919515305E-01
FOB,PFOB,DIAG,PSTEP=    0.5180469762E-02   -0.5099048257E-02     7.604868219        0.1150240874E-04
J1,K1,R1,R2,RAT= 114 114    0.9983141533        -289.9663388        0.1685846739E-02
FOB,PFOB,DIAG,PSTEP=    0.2801035481        0.2781814498         4.813360408        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000      0.00000      0.00001     -0.00001     -0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000      0.00002 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00000     -0.00002 
    -0.00001      0.00002     -0.00002      0.00002      0.00000     -0.00003 
    -0.00003      0.00001     -0.00001      0.00002      0.00001     -0.00001 
     0.00002      0.00003     -0.00000     -0.00000      0.00003     -0.00001 
    -0.00000      0.00003     -0.00003      0.00002     -0.00003      0.00001 
    -0.00002      0.00002      0.00003      0.00003      0.00010     -0.00004 
     0.00003     -0.00004      0.00002      0.00000     -0.00010     -0.00008 
    -0.00007     -0.00007      0.00013      0.00002      0.00518      0.28010 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4382132245
 Log product of positive Hessian eigenvalues =          520.3929229358
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8133604076
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000016
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000053
 Unscaled step for mode   13=       -0.0000000028
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000034
 Unscaled step for mode   17=       -0.0000000032
 Unscaled step for mode   18=       -0.0000000080
 Unscaled step for mode   19=       -0.0000000175
 Unscaled step for mode   20=       -0.0000000203
 Unscaled step for mode   21=       -0.0000000127
 Unscaled step for mode   22=       -0.0000000004
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000254
 Unscaled step for mode   26=        0.0000000403
 Unscaled step for mode   27=        0.0000000222
 Unscaled step for mode   28=        0.0000000152
 Unscaled step for mode   29=        0.0000000251
 Unscaled step for mode   30=        0.0000000247
 Unscaled step for mode   31=        0.0000000082
 Unscaled step for mode   32=        0.0000000020
 Unscaled step for mode   33=       -0.0000000167
 Unscaled step for mode   34=       -0.0000000082
 Unscaled step for mode   35=       -0.0000000513
 Unscaled step for mode   36=       -0.0000000106
 Unscaled step for mode   37=        0.0000000237
 Unscaled step for mode   38=        0.0000000122
 Unscaled step for mode   39=        0.0000000411
 Unscaled step for mode   40=       -0.0000000225
 Unscaled step for mode   41=       -0.0000000282
 Unscaled step for mode   42=        0.0000000125
 Unscaled step for mode   43=       -0.0000000106
 Unscaled step for mode   44=        0.0000000165
 Unscaled step for mode   45=       -0.0000000174
 Unscaled step for mode   46=       -0.0000000304
 Unscaled step for mode   47=        0.0000000725
 Unscaled step for mode   48=        0.0000000032
 Unscaled step for mode   49=       -0.0000000416
 Unscaled step for mode   50=       -0.0000000303
 Unscaled step for mode   51=        0.0000000307
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000343
 Unscaled step for mode   54=       -0.0000000193
 Unscaled step for mode   55=        0.0000000686
 Unscaled step for mode   56=       -0.0000000254
 Unscaled step for mode   57=       -0.0000000127
 Unscaled step for mode   58=       -0.0000000600
 Unscaled step for mode   59=        0.0000000385
 Unscaled step for mode   60=        0.0000000673
 Unscaled step for mode   61=        0.0000000539
 Unscaled step for mode   62=        0.0000001562
 Unscaled step for mode   63=        0.0000001044
 Unscaled step for mode   64=        0.0000000269
 Unscaled step for mode   65=        0.0000000083
 Unscaled step for mode   66=       -0.0000001207
 Unscaled step for mode   67=        0.0000000099
 Unscaled step for mode   68=       -0.0000000355
 Unscaled step for mode   69=        0.0000000011
 Unscaled step for mode   70=        0.0000000698
 Unscaled step for mode   71=        0.0000000031
 Unscaled step for mode   72=        0.0000001818
 Unscaled step for mode   73=        0.0000000758
 Unscaled step for mode   74=       -0.0000002144
 Unscaled step for mode   75=        0.0000001587
 Unscaled step for mode   76=       -0.0000001910
 Unscaled step for mode   77=       -0.0000000128
 Unscaled step for mode   78=        0.0000003751
 Unscaled step for mode   79=        0.0000003484
 Unscaled step for mode   80=       -0.0000001025
 Unscaled step for mode   81=        0.0000001237
 Unscaled step for mode   82=       -0.0000001909
 Unscaled step for mode   83=       -0.0000001063
 Unscaled step for mode   84=        0.0000001767
 Unscaled step for mode   85=       -0.0000003278
 Unscaled step for mode   86=       -0.0000004266
 Unscaled step for mode   87=        0.0000000550
 Unscaled step for mode   88=        0.0000000106
 Unscaled step for mode   89=       -0.0000004282
 Unscaled step for mode   90=        0.0000002120
 Unscaled step for mode   91=        0.0000000083
 Unscaled step for mode   92=       -0.0000005427
 Unscaled step for mode   93=        0.0000006431
 Unscaled step for mode   94=       -0.0000003427
 Unscaled step for mode   95=        0.0000006411
 Unscaled step for mode   96=       -0.0000001902
 Unscaled step for mode   97=        0.0000004882
 Unscaled step for mode   98=       -0.0000003820
 Unscaled step for mode   99=       -0.0000009186
 Unscaled step for mode  100=       -0.0000008669
 Unscaled step for mode  101=       -0.0000027848
 Unscaled step for mode  102=        0.0000014333
 Unscaled step for mode  103=       -0.0000010709
 Unscaled step for mode  104=        0.0000014066
 Unscaled step for mode  105=       -0.0000009565
 Unscaled step for mode  106=       -0.0000001037
 Unscaled step for mode  107=        0.0000050476
 Unscaled step for mode  108=        0.0000049389
 Unscaled step for mode  109=        0.0000049239
 Unscaled step for mode  110=        0.0000058242
 Unscaled step for mode  111=       -0.0000113612
 Unscaled step for mode  112=       -0.0000017945
 Unscaled step for mode  113=       -0.0006812041
 Unscaled step for mode  114=        0.0579971885
 Largest modulus ratio of non-zero e/values=           149.8011184    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.187350E-15    0.101882E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.626886E-15    0.100762E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.903372E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.507407E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.566550E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.210091E-15    0.973557E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.110988E-06    0.721047E+03  0.153926E-09 0.100000E-04    0.885275E+00
   8   -0.108658E-05    0.671056E+03  0.161921E-08 0.100000E-04    0.998015E+00
   9    0.706065E-06    0.623934E+03 -0.113163E-08 0.100000E-04    0.992583E+00
  10    0.143161E-05    0.603747E+03 -0.237121E-08 0.100000E-04    0.992610E+00
  11   -0.982421E-06    0.589660E+03  0.166608E-08 0.100000E-04    0.996379E+00
  12    0.296609E-05    0.564613E+03 -0.525331E-08 0.100000E-04    0.998753E+00
  13    0.157786E-05    0.562590E+03 -0.280463E-08 0.100000E-04    0.995640E+00
  14   -0.564382E-05    0.478548E+03  0.117937E-07 0.100000E-04    0.998304E+00
  15    0.171178E-05    0.469717E+03 -0.364427E-08 0.100000E-04    0.995714E+00
  16    0.158968E-05    0.463088E+03 -0.343278E-08 0.100000E-04    0.985227E+00
  17    0.142866E-05    0.441449E+03 -0.323628E-08 0.100000E-04    0.981689E+00
  18    0.343885E-05    0.431444E+03 -0.797058E-08 0.100000E-04    0.997106E+00
  19    0.734773E-05    0.420562E+03 -0.174712E-07 0.100000E-04    0.993410E+00
  20    0.823213E-05    0.405968E+03 -0.202777E-07 0.100000E-04    0.996562E+00
  21    0.504244E-05    0.398279E+03 -0.126606E-07 0.100000E-04    0.993793E+00
  22    0.170538E-06    0.388494E+03 -0.438971E-09 0.100000E-04    0.834788E+00
  23   -0.184264E-05    0.366993E+03  0.502091E-08 0.100000E-04    0.998607E+00
  24    0.188062E-05    0.363689E+03 -0.517098E-08 0.100000E-04    0.998681E+00
  25   -0.894117E-05    0.352439E+03  0.253694E-07 0.100000E-04    0.994004E+00
  26   -0.138149E-04    0.342523E+03  0.403329E-07 0.100000E-04    0.992683E+00
  27   -0.720033E-05    0.324271E+03  0.222047E-07 0.100000E-04    0.994949E+00
  28   -0.490139E-05    0.322429E+03  0.152014E-07 0.100000E-04    0.992325E+00
  29   -0.800651E-05    0.318429E+03  0.251438E-07 0.100000E-04    0.998414E+00
  30   -0.783461E-05    0.317064E+03  0.247099E-07 0.100000E-04    0.980914E+00
  31   -0.251519E-05    0.305295E+03  0.823858E-08 0.100000E-04    0.991521E+00
  32   -0.586707E-06    0.287389E+03  0.204151E-08 0.100000E-04    0.961591E+00
  33    0.467628E-05    0.279839E+03 -0.167106E-07 0.100000E-04    0.992160E+00
  34    0.222551E-05    0.271361E+03 -0.820129E-08 0.100000E-04    0.986057E+00
  35    0.136249E-04    0.265768E+03 -0.512662E-07 0.100000E-04    0.994775E+00
  36    0.277511E-05    0.262331E+03 -0.105787E-07 0.100000E-04    0.984476E+00
  37   -0.611432E-05    0.257772E+03  0.237199E-07 0.100000E-04    0.992674E+00
  38   -0.308370E-05    0.253432E+03  0.121677E-07 0.100000E-04    0.998427E+00
  39   -0.100093E-04    0.243700E+03  0.410722E-07 0.100000E-04    0.993226E+00
  40    0.537197E-05    0.239162E+03 -0.224616E-07 0.100000E-04    0.988437E+00
  41    0.660935E-05    0.234526E+03 -0.281818E-07 0.100000E-04    0.987197E+00
  42   -0.286132E-05    0.228566E+03  0.125185E-07 0.100000E-04    0.991025E+00
  43    0.237654E-05    0.224211E+03 -0.105996E-07 0.100000E-04    0.992643E+00
  44   -0.349997E-05    0.212700E+03  0.164550E-07 0.100000E-04    0.989370E+00
  45    0.368424E-05    0.211272E+03 -0.174384E-07 0.100000E-04    0.997301E+00
  46    0.636194E-05    0.209566E+03 -0.303577E-07 0.100000E-04    0.992161E+00
  47   -0.147105E-04    0.202973E+03  0.724750E-07 0.100000E-04    0.994024E+00
  48   -0.629497E-06    0.198450E+03  0.317206E-08 0.100000E-04    0.976024E+00
  49    0.813024E-05    0.195423E+03 -0.416034E-07 0.100000E-04    0.992696E+00
  50    0.579653E-05    0.191621E+03 -0.302500E-07 0.100000E-04    0.990592E+00
  51   -0.571797E-05    0.186230E+03  0.307038E-07 0.100000E-04    0.994898E+00
  52    0.344597E-06    0.177791E+03 -0.193821E-08 0.100000E-04    0.993638E+00
  53   -0.585127E-05    0.170761E+03  0.342659E-07 0.100000E-04    0.996026E+00
  54    0.324894E-05    0.168076E+03 -0.193302E-07 0.100000E-04    0.990273E+00
  55   -0.113734E-04    0.165716E+03  0.686319E-07 0.100000E-04    0.994803E+00
  56    0.406918E-05    0.160510E+03 -0.253516E-07 0.100000E-04    0.992215E+00
  57    0.194505E-05    0.153604E+03 -0.126628E-07 0.100000E-04    0.994079E+00
  58    0.906492E-05    0.151029E+03 -0.600211E-07 0.100000E-04    0.992323E+00
  59   -0.572677E-05    0.148760E+03  0.384968E-07 0.100000E-04    0.998154E+00
  60   -0.960778E-05    0.142671E+03  0.673420E-07 0.100000E-04    0.995799E+00
  61   -0.738669E-05    0.136921E+03  0.539485E-07 0.100000E-04    0.990378E+00
  62   -0.210632E-04    0.134830E+03  0.156221E-06 0.100000E-04    0.994494E+00
  63   -0.136732E-04    0.130986E+03  0.104386E-06 0.100000E-04    0.992612E+00
  64   -0.342829E-05    0.127673E+03  0.268522E-07 0.100000E-04    0.987663E+00
  65   -0.104413E-05    0.125813E+03  0.829906E-08 0.100000E-04    0.994071E+00
  66    0.150528E-04    0.124763E+03 -0.120651E-06 0.100000E-04    0.992853E+00
  67   -0.117671E-05    0.119434E+03  0.985236E-08 0.100000E-04    0.995942E+00
  68    0.418474E-05    0.117946E+03 -0.354800E-07 0.100000E-04    0.991747E+00
  69   -0.124776E-06    0.116492E+03  0.107111E-08 0.100000E-04    0.701180E+00
  70   -0.784530E-05    0.112446E+03  0.697697E-07 0.100000E-04    0.992167E+00
  71   -0.337805E-06    0.109965E+03  0.307192E-08 0.100000E-04    0.940127E+00
  72   -0.191721E-04    0.105464E+03  0.181788E-06 0.100000E-04    0.990644E+00
  73   -0.779246E-05    0.102835E+03  0.757763E-07 0.100000E-04    0.988857E+00
  74    0.215204E-04    0.100393E+03 -0.214361E-06 0.100000E-04    0.993661E+00
  75   -0.154234E-04    0.971814E+02  0.158707E-06 0.100000E-04    0.990746E+00
  76    0.181569E-04    0.950666E+02 -0.190991E-06 0.100000E-04    0.993364E+00
  77    0.116904E-05    0.911446E+02 -0.128262E-07 0.100000E-04    0.968529E+00
  78   -0.340504E-04    0.907683E+02  0.375136E-06 0.100000E-04    0.993599E+00
  79   -0.308251E-04    0.884747E+02  0.348406E-06 0.100000E-04    0.997062E+00
  80    0.865840E-05    0.845037E+02 -0.102462E-06 0.100000E-04    0.991695E+00
  81   -0.100045E-04    0.808841E+02  0.123689E-06 0.100000E-04    0.992539E+00
  82    0.151170E-04    0.791838E+02 -0.190910E-06 0.100000E-04    0.997378E+00
  83    0.836142E-05    0.786517E+02 -0.106309E-06 0.100000E-04    0.999368E+00
  84   -0.128882E-04    0.729482E+02  0.176676E-06 0.100000E-04    0.989050E+00
  85    0.234093E-04    0.714175E+02 -0.327781E-06 0.100000E-04    0.992422E+00
  86    0.294990E-04    0.691563E+02 -0.426556E-06 0.100000E-04    0.994759E+00
  87   -0.372522E-05    0.677615E+02  0.549754E-07 0.100000E-04    0.979045E+00
  88   -0.670004E-06    0.634613E+02  0.105577E-07 0.100000E-04    0.899099E+00
  89    0.265798E-04    0.620683E+02 -0.428234E-06 0.100000E-04    0.992987E+00
  90   -0.126463E-04    0.596568E+02  0.211985E-06 0.100000E-04    0.989643E+00
  91   -0.486706E-06    0.586575E+02  0.829742E-08 0.100000E-04    0.957447E+00
  92    0.302979E-04    0.558301E+02 -0.542680E-06 0.100000E-04    0.992891E+00
  93   -0.344593E-04    0.535790E+02  0.643150E-06 0.100000E-04    0.995403E+00
  94    0.179120E-04    0.522716E+02 -0.342671E-06 0.100000E-04    0.989248E+00
  95   -0.322492E-04    0.503023E+02  0.641107E-06 0.100000E-04    0.996479E+00
  96    0.913070E-05    0.479976E+02 -0.190232E-06 0.100000E-04    0.998970E+00
  97   -0.212514E-04    0.435286E+02  0.488216E-06 0.100000E-04    0.991918E+00
  98    0.152398E-04    0.398906E+02 -0.382039E-06 0.100000E-04    0.993705E+00
  99    0.342593E-04    0.372940E+02 -0.918628E-06 0.100000E-04    0.983457E+00
 100    0.313890E-04    0.362062E+02 -0.866949E-06 0.100000E-04    0.998068E+00
 101    0.973352E-04    0.349527E+02 -0.278477E-05 0.100000E-04    0.995127E+00
 102   -0.420017E-04    0.293043E+02  0.143329E-05 0.100000E-04    0.988949E+00
 103    0.310004E-04    0.289489E+02 -0.107087E-05 0.100000E-04    0.997433E+00
 104   -0.404044E-04    0.287247E+02  0.140661E-05 0.100000E-04    0.994381E+00
 105    0.222902E-04    0.233029E+02 -0.956542E-06 0.100000E-04    0.991331E+00
 106    0.227395E-05    0.219202E+02 -0.103738E-06 0.100000E-04    0.906456E+00
 107   -0.989413E-04    0.196015E+02  0.504763E-05 0.100000E-04    0.993280E+00
 108   -0.824757E-04    0.166993E+02  0.493888E-05 0.100000E-04    0.996801E+00
 109   -0.680947E-04    0.138294E+02  0.492390E-05 0.100000E-04    0.997455E+00
 110   -0.728615E-04    0.125102E+02  0.582418E-05 0.100000E-04    0.982331E+00
 111    0.127971E-03    0.112639E+02 -0.100000E-04 0.100000E-04    0.966091E+00
 112    0.169844E-04    0.946483E+01 -0.179448E-05 0.100000E-04    0.972192E+00
 113    0.518047E-02    0.760487E+01 -0.125376E-04 0.125376E-04    0.691952E-01
 114    0.280104E+00    0.481336E+01  0.400000E-03 0.400000E-03    0.168585E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5799718855E-01

 Beginning of optimization cycle  127.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3947498737
 potential> RMS force:                                               0.0264187051   |gradient|=.2820745822    
 Eigenvalues of the Hessian matrix:
   721.10643    671.07252    623.95398    603.76048    589.65800    564.63376 
   562.62840    478.56466    469.69478    463.07734    441.44692    431.43358 
   420.56936    405.97934    398.27566    388.49828    366.99529    363.67826 
   352.42945    342.48322    324.27678    322.41169    318.42023    317.07432 
   305.29218    287.39197    279.83503    271.35487    265.76885    262.33934 
   257.77600    253.43395    243.68779    239.14997    234.53712    228.56887 
   224.19234    212.69859    211.27696    209.55452    202.97576    198.44567 
   195.42524    191.62028    186.22319    177.77604    170.76370    168.07340 
   165.71436    160.50588    153.59984    151.02789    148.76591    142.67535 
   136.92171    134.83473    130.98521    127.67200    125.81691    124.76999 
   119.43449    117.94627    116.49586    112.43834    109.95638    105.46012 
   102.83558    100.38864     97.17927     95.06746     91.13852     90.77506 
    88.48640     84.50520     80.88419     79.18733     78.64965     72.94541 
    71.42064     69.14712     67.76439     63.45954     62.06106     59.65671 
    58.66052     55.83052     53.57625     52.27054     50.30214     47.99677 
    43.52406     39.89337     37.28719     36.20621     34.96009     29.29555 
    28.94736     28.72501     23.29806     21.92095     19.60287     16.70150 
    13.82825     12.50711     11.25302      9.46667      7.60522      4.81307 
overlap for current and previous eigenvector    109 is         0.9999973365
overlap for current and previous eigenvector    110 is         0.9999946112
overlap for current and previous eigenvector    111 is         0.9999917248
overlap for current and previous eigenvector    112 is         0.9999994114
overlap for current and previous eigenvector    113 is         0.9999991726
overlap for current and previous eigenvector    114 is         0.9999993886
J1,K1,R1,R2,RAT=   7   7   -0.7286402588E-01     2.072698561        0.9271359741    
FOB,PFOB,DIAG,PSTEP=   -0.1190753953E-06   -0.1109877145E-06     721.1064310        0.1539258184E-09
J1,K1,R1,R2,RAT=   8   8   -0.2272565654E-01     2.022676788        0.9772743435    
FOB,PFOB,DIAG,PSTEP=   -0.1111273136E-05   -0.1086579305E-05     671.0725221        0.1619207790E-08
J1,K1,R1,R2,RAT=   9   9   -0.1204756699E-01     2.011982939        0.9879524330    
FOB,PFOB,DIAG,PSTEP=    0.7145711594E-06    0.7060645248E-06     623.9539801       -0.1131633685E-08
J1,K1,R1,R2,RAT=  10  10    0.1911976166E-02     1.998044346        0.9980443455    
FOB,PFOB,DIAG,PSTEP=    0.1428874529E-05    0.1431611796E-05     603.7604830       -0.2371210277E-08
J1,K1,R1,R2,RAT=  11  11    0.2724476297E-04     1.999978304        0.9999727552    
FOB,PFOB,DIAG,PSTEP=   -0.9823939674E-06   -0.9824207332E-06     589.6580020        0.1666081024E-08
J1,K1,R1,R2,RAT= 109 109   -0.3049441951E-02     2.003219305        0.9969505580    
FOB,PFOB,DIAG,PSTEP=   -0.6830234211E-04   -0.6809470889E-04     13.82824751        0.4923901309E-05
J1,K1,R1,R2,RAT= 110 110   -0.1004459103E-01     2.010534994        0.9899554090    
FOB,PFOB,DIAG,PSTEP=   -0.7359316567E-04   -0.7286148130E-04     12.50710836        0.5824177567E-05
J1,K1,R1,R2,RAT= 111 111   -0.4190722671E-01     2.316345091        0.9580927733    
FOB,PFOB,DIAG,PSTEP=    0.1326873180E-03    0.1279714888E-03     11.25302131       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.7786335093E-02     1.991826135        0.9918261350    
FOB,PFOB,DIAG,PSTEP=    0.1685215806E-04    0.1698443015E-04     9.466668473       -0.1794477310E-05
J1,K1,R1,R2,RAT= 113 113   -0.7722259294         109.4328370        0.2277740706    
FOB,PFOB,DIAG,PSTEP=    0.5254102572E-02    0.5180469762E-02     7.605218598       -0.1253762552E-04
J1,K1,R1,R2,RAT= 114 114    0.9983034077        -291.9802382        0.1696592269E-02
FOB,PFOB,DIAG,PSTEP=    0.2820255116        0.2801035481         4.813074535        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000      0.00000      0.00001     -0.00001      0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000      0.00002 
    -0.00000      0.00000     -0.00000     -0.00001      0.00000     -0.00002 
    -0.00001      0.00002     -0.00002     -0.00002     -0.00000      0.00003 
     0.00003      0.00001     -0.00001      0.00002      0.00001     -0.00001 
    -0.00002     -0.00003      0.00000      0.00000     -0.00003      0.00001 
    -0.00000     -0.00003      0.00003     -0.00002     -0.00003      0.00001 
    -0.00002      0.00002      0.00003     -0.00003     -0.00010     -0.00004 
     0.00003      0.00004     -0.00002     -0.00000     -0.00010     -0.00008 
    -0.00007     -0.00007      0.00013      0.00002      0.00525      0.28203 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4382414312
 Log product of positive Hessian eigenvalues =          520.3910973890
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8130745352
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000017
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000053
 Unscaled step for mode   13=       -0.0000000028
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000035
 Unscaled step for mode   17=       -0.0000000033
 Unscaled step for mode   18=       -0.0000000080
 Unscaled step for mode   19=       -0.0000000176
 Unscaled step for mode   20=       -0.0000000203
 Unscaled step for mode   21=       -0.0000000127
 Unscaled step for mode   22=       -0.0000000005
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000255
 Unscaled step for mode   26=        0.0000000406
 Unscaled step for mode   27=        0.0000000223
 Unscaled step for mode   28=        0.0000000151
 Unscaled step for mode   29=        0.0000000252
 Unscaled step for mode   30=        0.0000000252
 Unscaled step for mode   31=        0.0000000084
 Unscaled step for mode   32=        0.0000000021
 Unscaled step for mode   33=       -0.0000000168
 Unscaled step for mode   34=       -0.0000000082
 Unscaled step for mode   35=       -0.0000000516
 Unscaled step for mode   36=       -0.0000000107
 Unscaled step for mode   37=        0.0000000239
 Unscaled step for mode   38=        0.0000000123
 Unscaled step for mode   39=        0.0000000413
 Unscaled step for mode   40=       -0.0000000228
 Unscaled step for mode   41=       -0.0000000285
 Unscaled step for mode   42=        0.0000000127
 Unscaled step for mode   43=       -0.0000000108
 Unscaled step for mode   44=        0.0000000169
 Unscaled step for mode   45=       -0.0000000174
 Unscaled step for mode   46=       -0.0000000307
 Unscaled step for mode   47=        0.0000000731
 Unscaled step for mode   48=        0.0000000031
 Unscaled step for mode   49=       -0.0000000420
 Unscaled step for mode   50=       -0.0000000303
 Unscaled step for mode   51=        0.0000000310
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000345
 Unscaled step for mode   54=       -0.0000000196
 Unscaled step for mode   55=        0.0000000691
 Unscaled step for mode   56=       -0.0000000254
 Unscaled step for mode   57=       -0.0000000128
 Unscaled step for mode   58=       -0.0000000604
 Unscaled step for mode   59=        0.0000000388
 Unscaled step for mode   60=       -0.0000000680
 Unscaled step for mode   61=        0.0000000543
 Unscaled step for mode   62=        0.0000001570
 Unscaled step for mode   63=        0.0000001048
 Unscaled step for mode   64=        0.0000000273
 Unscaled step for mode   65=        0.0000000081
 Unscaled step for mode   66=       -0.0000001213
 Unscaled step for mode   67=        0.0000000100
 Unscaled step for mode   68=       -0.0000000357
 Unscaled step for mode   69=        0.0000000012
 Unscaled step for mode   70=        0.0000000706
 Unscaled step for mode   71=       -0.0000000032
 Unscaled step for mode   72=        0.0000001829
 Unscaled step for mode   73=        0.0000000767
 Unscaled step for mode   74=       -0.0000002153
 Unscaled step for mode   75=        0.0000001606
 Unscaled step for mode   76=        0.0000001923
 Unscaled step for mode   77=        0.0000000138
 Unscaled step for mode   78=       -0.0000003783
 Unscaled step for mode   79=       -0.0000003490
 Unscaled step for mode   80=       -0.0000001035
 Unscaled step for mode   81=        0.0000001244
 Unscaled step for mode   82=       -0.0000001910
 Unscaled step for mode   83=       -0.0000001070
 Unscaled step for mode   84=        0.0000001779
 Unscaled step for mode   85=        0.0000003293
 Unscaled step for mode   86=        0.0000004287
 Unscaled step for mode   87=       -0.0000000531
 Unscaled step for mode   88=       -0.0000000106
 Unscaled step for mode   89=        0.0000004307
 Unscaled step for mode   90=       -0.0000002128
 Unscaled step for mode   91=        0.0000000080
 Unscaled step for mode   92=        0.0000005474
 Unscaled step for mode   93=       -0.0000006446
 Unscaled step for mode   94=        0.0000003448
 Unscaled step for mode   95=        0.0000006422
 Unscaled step for mode   96=       -0.0000001914
 Unscaled step for mode   97=        0.0000004906
 Unscaled step for mode   98=       -0.0000003844
 Unscaled step for mode   99=       -0.0000009286
 Unscaled step for mode  100=        0.0000008669
 Unscaled step for mode  101=        0.0000027967
 Unscaled step for mode  102=        0.0000014412
 Unscaled step for mode  103=       -0.0000010722
 Unscaled step for mode  104=       -0.0000014080
 Unscaled step for mode  105=        0.0000009665
 Unscaled step for mode  106=        0.0000000926
 Unscaled step for mode  107=        0.0000050686
 Unscaled step for mode  108=        0.0000049327
 Unscaled step for mode  109=        0.0000049393
 Unscaled step for mode  110=        0.0000058841
 Unscaled step for mode  111=       -0.0000117913
 Unscaled step for mode  112=       -0.0000017802
 Unscaled step for mode  113=       -0.0006908546
 Unscaled step for mode  114=        0.0583958923
 Largest modulus ratio of non-zero e/values=           149.8224110    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.114275E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.233754E-15    0.100762E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.108832E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.203396E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.691833E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.534634E-15    0.973558E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.119075E-06    0.721106E+03  0.165129E-09 0.100000E-04    0.927136E+00
   8   -0.111127E-05    0.671073E+03  0.165597E-08 0.100000E-04    0.977274E+00
   9    0.714571E-06    0.623954E+03 -0.114523E-08 0.100000E-04    0.987952E+00
  10    0.142887E-05    0.603760E+03 -0.236662E-08 0.100000E-04    0.998044E+00
  11   -0.982394E-06    0.589658E+03  0.166604E-08 0.100000E-04    0.999973E+00
  12    0.298132E-05    0.564634E+03 -0.528009E-08 0.100000E-04    0.994866E+00
  13    0.155071E-05    0.562628E+03 -0.275619E-08 0.100000E-04    0.982661E+00
  14   -0.564611E-05    0.478565E+03  0.117980E-07 0.100000E-04    0.999594E+00
  15    0.172272E-05    0.469695E+03 -0.366774E-08 0.100000E-04    0.993606E+00
  16    0.160111E-05    0.463077E+03 -0.345754E-08 0.100000E-04    0.992810E+00
  17    0.143497E-05    0.441447E+03 -0.325061E-08 0.100000E-04    0.995580E+00
  18    0.345759E-05    0.431434E+03 -0.801419E-08 0.100000E-04    0.994551E+00
  19    0.738916E-05    0.420569E+03 -0.175694E-07 0.100000E-04    0.994361E+00
  20    0.824461E-05    0.405979E+03 -0.203080E-07 0.100000E-04    0.998483E+00
  21    0.506578E-05    0.398276E+03 -0.127193E-07 0.100000E-04    0.995371E+00
  22    0.189358E-06    0.388498E+03 -0.487411E-09 0.100000E-04    0.889640E+00
  23   -0.183507E-05    0.366995E+03  0.500025E-08 0.100000E-04    0.995880E+00
  24    0.187939E-05    0.363678E+03 -0.516773E-08 0.100000E-04    0.999344E+00
  25   -0.899849E-05    0.352429E+03  0.255327E-07 0.100000E-04    0.993589E+00
  26   -0.139129E-04    0.342483E+03  0.406235E-07 0.100000E-04    0.992911E+00
  27   -0.724694E-05    0.324277E+03  0.223480E-07 0.100000E-04    0.993526E+00
  28   -0.486893E-05    0.322412E+03  0.151016E-07 0.100000E-04    0.993377E+00
  29   -0.801774E-05    0.318420E+03  0.251798E-07 0.100000E-04    0.998597E+00
  30   -0.798656E-05    0.317074E+03  0.251883E-07 0.100000E-04    0.980605E+00
  31   -0.255677E-05    0.305292E+03  0.837484E-08 0.100000E-04    0.983469E+00
  32   -0.601454E-06    0.287392E+03  0.209280E-08 0.100000E-04    0.974864E+00
  33    0.470195E-05    0.279835E+03 -0.168026E-07 0.100000E-04    0.994510E+00
  34    0.223629E-05    0.271355E+03 -0.824122E-08 0.100000E-04    0.995156E+00
  35    0.137184E-04    0.265769E+03 -0.516179E-07 0.100000E-04    0.993138E+00
  36    0.280956E-05    0.262339E+03 -0.107096E-07 0.100000E-04    0.987586E+00
  37   -0.616452E-05    0.257776E+03  0.239143E-07 0.100000E-04    0.991789E+00
  38   -0.310550E-05    0.253434E+03  0.122537E-07 0.100000E-04    0.992929E+00
  39   -0.100663E-04    0.243688E+03  0.413080E-07 0.100000E-04    0.994312E+00
  40    0.544815E-05    0.239150E+03 -0.227813E-07 0.100000E-04    0.985818E+00
  41    0.669281E-05    0.234537E+03 -0.285363E-07 0.100000E-04    0.987373E+00
  42   -0.289215E-05    0.228569E+03  0.126533E-07 0.100000E-04    0.989224E+00
  43    0.241135E-05    0.224192E+03 -0.107557E-07 0.100000E-04    0.985352E+00
  44   -0.359358E-05    0.212699E+03  0.168952E-07 0.100000E-04    0.973255E+00
  45    0.368617E-05    0.211277E+03 -0.174471E-07 0.100000E-04    0.999477E+00
  46    0.644378E-05    0.209555E+03 -0.307499E-07 0.100000E-04    0.987134E+00
  47   -0.148314E-04    0.202976E+03  0.730699E-07 0.100000E-04    0.991778E+00
  48   -0.612353E-06    0.198446E+03  0.308575E-08 0.100000E-04    0.972765E+00
  49    0.821043E-05    0.195425E+03 -0.420131E-07 0.100000E-04    0.990138E+00
  50    0.581221E-05    0.191620E+03 -0.303319E-07 0.100000E-04    0.997295E+00
  51   -0.577111E-05    0.186223E+03  0.309903E-07 0.100000E-04    0.990707E+00
  52    0.338717E-06    0.177776E+03 -0.190530E-08 0.100000E-04    0.982936E+00
  53   -0.589056E-05    0.170764E+03  0.344954E-07 0.100000E-04    0.993286E+00
  54    0.329871E-05    0.168073E+03 -0.196266E-07 0.100000E-04    0.984681E+00
  55   -0.114467E-04    0.165714E+03  0.690750E-07 0.100000E-04    0.993551E+00
  56    0.407923E-05    0.160506E+03 -0.254148E-07 0.100000E-04    0.997531E+00
  57    0.196872E-05    0.153600E+03 -0.128172E-07 0.100000E-04    0.987830E+00
  58    0.912022E-05    0.151028E+03 -0.603877E-07 0.100000E-04    0.993899E+00
  59   -0.577349E-05    0.148766E+03  0.388092E-07 0.100000E-04    0.991842E+00
  60    0.969690E-05    0.142675E+03 -0.679648E-07 0.100000E-04    0.990724E+00
  61   -0.743426E-05    0.136922E+03  0.542957E-07 0.100000E-04    0.993561E+00
  62   -0.211645E-04    0.134835E+03  0.156966E-06 0.100000E-04    0.995191E+00
  63   -0.137312E-04    0.130985E+03  0.104830E-06 0.100000E-04    0.995755E+00
  64   -0.348040E-05    0.127672E+03  0.272605E-07 0.100000E-04    0.984801E+00
  65   -0.101417E-05    0.125817E+03  0.806069E-08 0.100000E-04    0.971250E+00
  66    0.151356E-04    0.124770E+03 -0.121308E-06 0.100000E-04    0.994501E+00
  67   -0.119622E-05    0.119434E+03  0.100157E-07 0.100000E-04    0.983413E+00
  68    0.421396E-05    0.117946E+03 -0.357278E-07 0.100000E-04    0.993017E+00
  69   -0.140704E-06    0.116496E+03  0.120780E-08 0.100000E-04    0.872353E+00
  70   -0.794156E-05    0.112438E+03  0.706304E-07 0.100000E-04    0.987729E+00
  71    0.348835E-06    0.109956E+03 -0.317249E-08 0.100000E-04    0.967347E+00
  72   -0.192928E-04    0.105460E+03  0.182940E-06 0.100000E-04    0.993699E+00
  73   -0.788853E-05    0.102836E+03  0.767101E-07 0.100000E-04    0.987671E+00
  74    0.216163E-04    0.100389E+03 -0.215326E-06 0.100000E-04    0.995542E+00
  75   -0.156031E-04    0.971793E+02  0.160560E-06 0.100000E-04    0.988349E+00
  76   -0.182862E-04    0.950675E+02  0.192349E-06 0.100000E-04    0.992881E+00
  77   -0.125353E-05    0.911385E+02  0.137541E-07 0.100000E-04    0.927724E+00
  78    0.343415E-04    0.907751E+02 -0.378314E-06 0.100000E-04    0.991454E+00
  79    0.308814E-04    0.884864E+02 -0.348996E-06 0.100000E-04    0.998175E+00
  80    0.874274E-05    0.845052E+02 -0.103458E-06 0.100000E-04    0.990259E+00
  81   -0.100646E-04    0.808842E+02  0.124432E-06 0.100000E-04    0.993995E+00
  82    0.151229E-04    0.791873E+02 -0.190976E-06 0.100000E-04    0.999612E+00
  83    0.841286E-05    0.786496E+02 -0.106966E-06 0.100000E-04    0.993847E+00
  84   -0.129779E-04    0.729454E+02  0.177912E-06 0.100000E-04    0.993042E+00
  85   -0.235199E-04    0.714206E+02  0.329316E-06 0.100000E-04    0.995275E+00
  86   -0.296422E-04    0.691471E+02  0.428683E-06 0.100000E-04    0.995148E+00
  87    0.359831E-05    0.677644E+02 -0.531003E-07 0.100000E-04    0.965849E+00
  88    0.675306E-06    0.634595E+02 -0.106415E-07 0.100000E-04    0.992088E+00
  89   -0.267320E-04    0.620611E+02  0.430737E-06 0.100000E-04    0.994272E+00
  90    0.126921E-04    0.596567E+02 -0.212752E-06 0.100000E-04    0.996381E+00
  91   -0.467525E-06    0.586605E+02  0.797001E-08 0.100000E-04    0.960489E+00
  92   -0.305644E-04    0.558305E+02  0.547450E-06 0.100000E-04    0.991202E+00
  93    0.345330E-04    0.535763E+02 -0.644558E-06 0.100000E-04    0.997861E+00
  94   -0.180254E-04    0.522705E+02  0.344847E-06 0.100000E-04    0.993671E+00
  95   -0.323044E-04    0.503021E+02  0.642208E-06 0.100000E-04    0.998288E+00
  96    0.918581E-05    0.479968E+02 -0.191384E-06 0.100000E-04    0.993964E+00
  97   -0.213540E-04    0.435241E+02  0.490625E-06 0.100000E-04    0.995171E+00
  98    0.153339E-04    0.398934E+02 -0.384371E-06 0.100000E-04    0.993826E+00
  99    0.346234E-04    0.372872E+02 -0.928561E-06 0.100000E-04    0.989370E+00
 100   -0.313859E-04    0.362062E+02  0.866865E-06 0.100000E-04    0.999902E+00
 101   -0.977733E-04    0.349601E+02  0.279671E-05 0.100000E-04    0.995500E+00
 102   -0.422215E-04    0.292955E+02  0.144123E-05 0.100000E-04    0.994766E+00
 103    0.310364E-04    0.289474E+02 -0.107217E-05 0.100000E-04    0.998837E+00
 104    0.404439E-04    0.287250E+02 -0.140797E-05 0.100000E-04    0.999023E+00
 105   -0.225168E-04    0.232981E+02  0.966465E-06 0.100000E-04    0.989835E+00
 106   -0.202908E-05    0.219209E+02  0.925637E-07 0.100000E-04    0.892254E+00
 107   -0.993593E-04    0.196029E+02  0.506861E-05 0.100000E-04    0.995776E+00
 108   -0.823827E-04    0.167015E+02  0.493265E-05 0.100000E-04    0.998608E+00
 109   -0.683023E-04    0.138282E+02  0.493933E-05 0.100000E-04    0.996951E+00
 110   -0.735932E-04    0.125071E+02  0.588411E-05 0.100000E-04    0.989955E+00
 111    0.132687E-03    0.112530E+02 -0.100000E-04 0.100000E-04    0.958093E+00
 112    0.168522E-04    0.946667E+01 -0.178016E-05 0.100000E-04    0.991826E+00
 113    0.525410E-02    0.760522E+01 -0.112952E-04 0.112952E-04    0.227774E+00
 114    0.282026E+00    0.481307E+01  0.400000E-03 0.400000E-03    0.169659E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5839589225E-01

 Beginning of optimization cycle  128.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3946367393
 potential> RMS force:                                               0.0265988138   |gradient|=.2839976169    
 Eigenvalues of the Hessian matrix:
   721.16617    671.08897    623.97411    603.77342    589.65640    564.65431 
   562.66693    478.58176    469.67216    463.06638    441.44464    431.42342 
   420.57710    405.99017    398.27187    388.50228    366.99725    363.66797 
   352.42023    342.44387    324.28257    322.39448    318.41137    317.08453 
   305.28945    287.39471    279.83081    271.34855    265.76932    262.34799 
   257.78002    253.43566    243.67532    239.13767    234.54848    228.57132 
   224.17353    212.69741    211.28192    209.54287    202.97843    198.44112 
   195.42767    191.61992    186.21616    177.76137    170.76666    168.07098 
   165.71306    160.50182    153.59614    151.02694    148.77224    142.67924 
   136.92216    134.83968    130.98414    127.67146    125.82033    124.77676 
   119.43512    117.94610    116.49951    112.43096    109.94734    105.45630 
   102.83622    100.38431     97.17715     95.06835     91.13240     90.78181 
    88.49805     84.50669     80.88424     79.19089     78.64758     72.94268 
    71.42382     69.13800     67.76733     63.45780     62.05378     59.65658 
    58.66358     55.83102     53.57352     52.26947     50.30196     47.99596 
    43.51955     39.89613     37.28040     36.20620     34.96749     29.28681 
    28.94581     28.72529     23.29319     21.92164     19.60428     16.70369 
    13.82709     12.50407     11.24211      9.46849      7.60557      4.81276 
overlap for current and previous eigenvector    109 is        -0.9999973775
overlap for current and previous eigenvector    110 is        -0.9999947192
overlap for current and previous eigenvector    111 is        -0.9999918536
overlap for current and previous eigenvector    112 is        -0.9999994021
overlap for current and previous eigenvector    113 is        -0.9999991658
overlap for current and previous eigenvector    114 is         0.9999993915
J1,K1,R1,R2,RAT=   7   7   -0.9748354983E-01     2.097317887        0.9025164502    
FOB,PFOB,DIAG,PSTEP=   -0.1306842491E-06   -0.1190753953E-06     721.1661663        0.1651287386E-09
J1,K1,R1,R2,RAT=   8   8   -0.2167004598E-02     2.002117999        0.9978329954    
FOB,PFOB,DIAG,PSTEP=   -0.1113681329E-05   -0.1111273136E-05     671.0889655        0.1655965786E-08
J1,K1,R1,R2,RAT=   9   9    0.7187087020E-02     1.992748377        0.9927483770    
FOB,PFOB,DIAG,PSTEP=    0.7094353086E-06    0.7145711594E-06     623.9741145       -0.1145230549E-08
J1,K1,R1,R2,RAT=  10  10   -0.7303673814E-02     2.007260836        0.9926963262    
FOB,PFOB,DIAG,PSTEP=    0.1439310786E-05    0.1428874529E-05     603.7734151       -0.2366624794E-08
J1,K1,R1,R2,RAT=  11  11   -0.3585039741E-02     2.003590474        0.9964149603    
FOB,PFOB,DIAG,PSTEP=   -0.9859158793E-06   -0.9823939674E-06     589.6563998        0.1666040254E-08
J1,K1,R1,R2,RAT= 109 109     2.002599207       -0.2432236568E-02    0.9975677634    
FOB,PFOB,DIAG,PSTEP=    0.6846845570E-04   -0.6830234211E-04     13.82709315        0.4939334654E-05
J1,K1,R1,R2,RAT= 110 110     2.017738134       -0.1725154215E-01    0.9827484578    
FOB,PFOB,DIAG,PSTEP=    0.7486245245E-04   -0.7359316567E-04     12.50406617        0.5884107146E-05
J1,K1,R1,R2,RAT= 111 111     2.405079903       -0.4453767692E-01    0.9554623231    
FOB,PFOB,DIAG,PSTEP=   -0.1376942904E-03    0.1326873180E-03     11.24210501       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.971003669        0.2861078429E-01    0.9710036690    
FOB,PFOB,DIAG,PSTEP=   -0.1636991163E-04    0.1685215806E-04     9.468493746       -0.1780157201E-05
J1,K1,R1,R2,RAT= 113 113     123.2953722       -0.9734453578        0.2655464217E-01
FOB,PFOB,DIAG,PSTEP=   -0.5337727510E-02    0.5254102572E-02     7.605572558       -0.1129515813E-04
J1,K1,R1,R2,RAT= 114 114    0.9982851291        -293.9958071        0.1714870880E-02
FOB,PFOB,DIAG,PSTEP=    0.2839473154        0.2820255116         4.812762744        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000      0.00000      0.00001     -0.00001      0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000      0.00002 
    -0.00000      0.00000     -0.00000     -0.00001      0.00000     -0.00002 
    -0.00001      0.00002      0.00002     -0.00002     -0.00000      0.00003 
     0.00003      0.00001      0.00001      0.00002      0.00001     -0.00001 
     0.00002      0.00003     -0.00000     -0.00000      0.00003     -0.00001 
     0.00000      0.00003     -0.00003      0.00002     -0.00003      0.00001 
    -0.00002      0.00002      0.00004     -0.00003      0.00010      0.00004 
     0.00003      0.00004     -0.00002     -0.00000     -0.00010     -0.00008 
     0.00007      0.00007     -0.00014     -0.00002     -0.00534      0.28395 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4382659719
 Log product of positive Hessian eigenvalues =          520.3892735553
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8127627438
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000017
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000053
 Unscaled step for mode   13=       -0.0000000027
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000035
 Unscaled step for mode   17=       -0.0000000033
 Unscaled step for mode   18=       -0.0000000080
 Unscaled step for mode   19=       -0.0000000177
 Unscaled step for mode   20=       -0.0000000204
 Unscaled step for mode   21=       -0.0000000128
 Unscaled step for mode   22=       -0.0000000006
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000257
 Unscaled step for mode   26=        0.0000000409
 Unscaled step for mode   27=        0.0000000225
 Unscaled step for mode   28=        0.0000000150
 Unscaled step for mode   29=        0.0000000251
 Unscaled step for mode   30=        0.0000000257
 Unscaled step for mode   31=        0.0000000084
 Unscaled step for mode   32=        0.0000000022
 Unscaled step for mode   33=       -0.0000000169
 Unscaled step for mode   34=       -0.0000000084
 Unscaled step for mode   35=       -0.0000000519
 Unscaled step for mode   36=       -0.0000000109
 Unscaled step for mode   37=        0.0000000241
 Unscaled step for mode   38=        0.0000000123
 Unscaled step for mode   39=        0.0000000416
 Unscaled step for mode   40=       -0.0000000230
 Unscaled step for mode   41=       -0.0000000289
 Unscaled step for mode   42=        0.0000000128
 Unscaled step for mode   43=       -0.0000000108
 Unscaled step for mode   44=        0.0000000171
 Unscaled step for mode   45=       -0.0000000175
 Unscaled step for mode   46=       -0.0000000310
 Unscaled step for mode   47=        0.0000000735
 Unscaled step for mode   48=        0.0000000030
 Unscaled step for mode   49=       -0.0000000423
 Unscaled step for mode   50=       -0.0000000306
 Unscaled step for mode   51=        0.0000000311
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000346
 Unscaled step for mode   54=        0.0000000198
 Unscaled step for mode   55=       -0.0000000694
 Unscaled step for mode   56=        0.0000000256
 Unscaled step for mode   57=       -0.0000000129
 Unscaled step for mode   58=       -0.0000000608
 Unscaled step for mode   59=        0.0000000389
 Unscaled step for mode   60=       -0.0000000682
 Unscaled step for mode   61=        0.0000000548
 Unscaled step for mode   62=        0.0000001578
 Unscaled step for mode   63=        0.0000001056
 Unscaled step for mode   64=        0.0000000276
 Unscaled step for mode   65=        0.0000000080
 Unscaled step for mode   66=       -0.0000001222
 Unscaled step for mode   67=        0.0000000100
 Unscaled step for mode   68=       -0.0000000360
 Unscaled step for mode   69=        0.0000000015
 Unscaled step for mode   70=        0.0000000712
 Unscaled step for mode   71=       -0.0000000033
 Unscaled step for mode   72=        0.0000001846
 Unscaled step for mode   73=        0.0000000776
 Unscaled step for mode   74=       -0.0000002167
 Unscaled step for mode   75=       -0.0000001620
 Unscaled step for mode   76=        0.0000001936
 Unscaled step for mode   77=        0.0000000143
 Unscaled step for mode   78=       -0.0000003807
 Unscaled step for mode   79=       -0.0000003499
 Unscaled step for mode   80=       -0.0000001043
 Unscaled step for mode   81=       -0.0000001253
 Unscaled step for mode   82=       -0.0000001914
 Unscaled step for mode   83=       -0.0000001069
 Unscaled step for mode   84=        0.0000001798
 Unscaled step for mode   85=       -0.0000003318
 Unscaled step for mode   86=       -0.0000004309
 Unscaled step for mode   87=        0.0000000518
 Unscaled step for mode   88=        0.0000000116
 Unscaled step for mode   89=       -0.0000004338
 Unscaled step for mode   90=        0.0000002149
 Unscaled step for mode   91=       -0.0000000076
 Unscaled step for mode   92=       -0.0000005513
 Unscaled step for mode   93=        0.0000006475
 Unscaled step for mode   94=       -0.0000003485
 Unscaled step for mode   95=        0.0000006444
 Unscaled step for mode   96=       -0.0000001916
 Unscaled step for mode   97=        0.0000004946
 Unscaled step for mode   98=       -0.0000003867
 Unscaled step for mode   99=       -0.0000009439
 Unscaled step for mode  100=        0.0000008682
 Unscaled step for mode  101=       -0.0000028094
 Unscaled step for mode  102=       -0.0000014577
 Unscaled step for mode  103=       -0.0000010743
 Unscaled step for mode  104=       -0.0000014157
 Unscaled step for mode  105=        0.0000009750
 Unscaled step for mode  106=        0.0000001014
 Unscaled step for mode  107=        0.0000051014
 Unscaled step for mode  108=        0.0000049166
 Unscaled step for mode  109=       -0.0000049518
 Unscaled step for mode  110=       -0.0000059870
 Unscaled step for mode  111=        0.0000122481
 Unscaled step for mode  112=        0.0000017289
 Unscaled step for mode  113=        0.0007018176
 Unscaled step for mode  114=        0.0587948692
 Largest modulus ratio of non-zero e/values=           149.8445289    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.147668E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.168051E-16    0.100761E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.873325E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.150834E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.487343E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.145459E-15    0.973560E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.130684E-06    0.721166E+03  0.181212E-09 0.100000E-04    0.902516E+00
   8   -0.111368E-05    0.671089E+03  0.165951E-08 0.100000E-04    0.997833E+00
   9    0.709435E-06    0.623974E+03 -0.113696E-08 0.100000E-04    0.992748E+00
  10    0.143931E-05    0.603773E+03 -0.238386E-08 0.100000E-04    0.992696E+00
  11   -0.985916E-06    0.589656E+03  0.167202E-08 0.100000E-04    0.996415E+00
  12    0.298506E-05    0.564654E+03 -0.528652E-08 0.100000E-04    0.998744E+00
  13    0.154322E-05    0.562667E+03 -0.274269E-08 0.100000E-04    0.995032E+00
  14   -0.565513E-05    0.478582E+03  0.118164E-07 0.100000E-04    0.998403E+00
  15    0.171543E-05    0.469672E+03 -0.365240E-08 0.100000E-04    0.995768E+00
  16    0.162432E-05    0.463066E+03 -0.350774E-08 0.100000E-04    0.985504E+00
  17    0.146064E-05    0.441445E+03 -0.330877E-08 0.100000E-04    0.982111E+00
  18    0.346755E-05    0.431423E+03 -0.803746E-08 0.100000E-04    0.997120E+00
  19    0.743735E-05    0.420577E+03 -0.176837E-07 0.100000E-04    0.993479E+00
  20    0.827227E-05    0.405990E+03 -0.203755E-07 0.100000E-04    0.996645E+00
  21    0.509668E-05    0.398272E+03 -0.127970E-07 0.100000E-04    0.993900E+00
  22    0.213867E-06    0.388502E+03 -0.550491E-09 0.100000E-04    0.870572E+00
  23   -0.183238E-05    0.366997E+03  0.499291E-08 0.100000E-04    0.998527E+00
  24    0.187664E-05    0.363668E+03 -0.516030E-08 0.100000E-04    0.998534E+00
  25   -0.905191E-05    0.352420E+03  0.256850E-07 0.100000E-04    0.994063E+00
  26   -0.140136E-04    0.342444E+03  0.409223E-07 0.100000E-04    0.992760E+00
  27   -0.728349E-05    0.324283E+03  0.224603E-07 0.100000E-04    0.994957E+00
  28   -0.482860E-05    0.322394E+03  0.149773E-07 0.100000E-04    0.991717E+00
  29   -0.799401E-05    0.318411E+03  0.251059E-07 0.100000E-04    0.997039E+00
  30   -0.814140E-05    0.317085E+03  0.256758E-07 0.100000E-04    0.980613E+00
  31   -0.257845E-05    0.305289E+03  0.844592E-08 0.100000E-04    0.991521E+00
  32   -0.623364E-06    0.287395E+03  0.216902E-08 0.100000E-04    0.963572E+00
  33    0.473847E-05    0.279831E+03 -0.169333E-07 0.100000E-04    0.992233E+00
  34    0.226706E-05    0.271349E+03 -0.835480E-08 0.100000E-04    0.986241E+00
  35    0.137890E-04    0.265769E+03 -0.518835E-07 0.100000E-04    0.994853E+00
  36    0.285261E-05    0.262348E+03 -0.108734E-07 0.100000E-04    0.984679E+00
  37   -0.620944E-05    0.257780E+03  0.240881E-07 0.100000E-04    0.992714E+00
  38   -0.311034E-05    0.253436E+03  0.122727E-07 0.100000E-04    0.998443E+00
  39   -0.101332E-04    0.243675E+03  0.415849E-07 0.100000E-04    0.993349E+00
  40    0.551006E-05    0.239138E+03 -0.230414E-07 0.100000E-04    0.988636E+00
  41    0.677769E-05    0.234548E+03 -0.288967E-07 0.100000E-04    0.987320E+00
  42   -0.291774E-05    0.228571E+03  0.127651E-07 0.100000E-04    0.991155E+00
  43    0.242924E-05    0.224174E+03 -0.108364E-07 0.100000E-04    0.992578E+00
  44   -0.363172E-05    0.212697E+03  0.170746E-07 0.100000E-04    0.989385E+00
  45    0.369617E-05    0.211282E+03 -0.174940E-07 0.100000E-04    0.997288E+00
  46    0.649364E-05    0.209543E+03 -0.309895E-07 0.100000E-04    0.992263E+00
  47   -0.149190E-04    0.202978E+03  0.735006E-07 0.100000E-04    0.994093E+00
  48   -0.596593E-06    0.198441E+03  0.300640E-08 0.100000E-04    0.974263E+00
  49    0.826974E-05    0.195428E+03 -0.423161E-07 0.100000E-04    0.992776E+00
  50    0.586624E-05    0.191620E+03 -0.306139E-07 0.100000E-04    0.990704E+00
  51   -0.580047E-05    0.186216E+03  0.311491E-07 0.100000E-04    0.994912E+00
  52    0.336408E-06    0.177761E+03 -0.189247E-08 0.100000E-04    0.993182E+00
  53   -0.591393E-05    0.170767E+03  0.346317E-07 0.100000E-04    0.996032E+00
  54   -0.333048E-05    0.168071E+03  0.198159E-07 0.100000E-04    0.990369E+00
  55    0.115054E-04    0.165713E+03 -0.694298E-07 0.100000E-04    0.994872E+00
  56   -0.411033E-05    0.160502E+03  0.256092E-07 0.100000E-04    0.992376E+00
  57    0.198082E-05    0.153596E+03 -0.128963E-07 0.100000E-04    0.993853E+00
  58    0.918970E-05    0.151027E+03 -0.608481E-07 0.100000E-04    0.992382E+00
  59   -0.578359E-05    0.148772E+03  0.388755E-07 0.100000E-04    0.998250E+00
  60    0.973759E-05    0.142679E+03 -0.682481E-07 0.100000E-04    0.995804E+00
  61   -0.750523E-05    0.136922E+03  0.548138E-07 0.100000E-04    0.990454E+00
  62   -0.212793E-04    0.134840E+03  0.157812E-06 0.100000E-04    0.994577E+00
  63   -0.138312E-04    0.130984E+03  0.105594E-06 0.100000E-04    0.992719E+00
  64   -0.352331E-05    0.127671E+03  0.275967E-07 0.100000E-04    0.987670E+00
  65   -0.100747E-05    0.125820E+03  0.800721E-08 0.100000E-04    0.993337E+00
  66    0.152423E-04    0.124777E+03 -0.122156E-06 0.100000E-04    0.992951E+00
  67   -0.119155E-05    0.119435E+03  0.997654E-08 0.100000E-04    0.996083E+00
  68    0.424833E-05    0.117946E+03 -0.360192E-07 0.100000E-04    0.991845E+00
  69   -0.169777E-06    0.116500E+03  0.145732E-08 0.100000E-04    0.793378E+00
  70   -0.800289E-05    0.112431E+03  0.711804E-07 0.100000E-04    0.992278E+00
  71    0.368200E-06    0.109947E+03 -0.334888E-08 0.100000E-04    0.944482E+00
  72   -0.194712E-04    0.105456E+03  0.184637E-06 0.100000E-04    0.990757E+00
  73   -0.797518E-05    0.102836E+03  0.775522E-07 0.100000E-04    0.989016E+00
  74    0.217507E-04    0.100384E+03 -0.216674E-06 0.100000E-04    0.993783E+00
  75    0.157468E-04    0.971771E+02 -0.162042E-06 0.100000E-04    0.990786E+00
  76   -0.184055E-04    0.950683E+02  0.193603E-06 0.100000E-04    0.993471E+00
  77   -0.129935E-05    0.911324E+02  0.142579E-07 0.100000E-04    0.963438E+00
  78    0.345587E-04    0.907818E+02 -0.380679E-06 0.100000E-04    0.993673E+00
  79    0.309671E-04    0.884980E+02 -0.349918E-06 0.100000E-04    0.997225E+00
  80    0.881435E-05    0.845067E+02 -0.104304E-06 0.100000E-04    0.991809E+00
  81    0.101384E-04    0.808842E+02 -0.125344E-06 0.100000E-04    0.992668E+00
  82    0.151594E-04    0.791909E+02 -0.191429E-06 0.100000E-04    0.997583E+00
  83    0.840933E-05    0.786476E+02 -0.106924E-06 0.100000E-04    0.999580E+00
  84   -0.131183E-04    0.729427E+02  0.179843E-06 0.100000E-04    0.989184E+00
  85    0.236960E-04    0.714238E+02 -0.331767E-06 0.100000E-04    0.992512E+00
  86    0.297940E-04    0.691380E+02 -0.430935E-06 0.100000E-04    0.994879E+00
  87   -0.351310E-05    0.677673E+02  0.518406E-07 0.100000E-04    0.976234E+00
  88   -0.735878E-06    0.634578E+02  0.115963E-07 0.100000E-04    0.910301E+00
  89    0.269170E-04    0.620538E+02 -0.433768E-06 0.100000E-04    0.993080E+00
  90   -0.128216E-04    0.596566E+02  0.214923E-06 0.100000E-04    0.989797E+00
  91    0.445613E-06    0.586636E+02 -0.759608E-08 0.100000E-04    0.953030E+00
  92    0.307783E-04    0.558310E+02 -0.551276E-06 0.100000E-04    0.993002E+00
  93   -0.346874E-04    0.535735E+02  0.647472E-06 0.100000E-04    0.995530E+00
  94    0.182159E-04    0.522695E+02 -0.348500E-06 0.100000E-04    0.989427E+00
  95   -0.324143E-04    0.503020E+02  0.644395E-06 0.100000E-04    0.996598E+00
  96    0.919472E-05    0.479960E+02 -0.191573E-06 0.100000E-04    0.999030E+00
  97   -0.215246E-04    0.435195E+02  0.494595E-06 0.100000E-04    0.992010E+00
  98    0.154298E-04    0.398961E+02 -0.386750E-06 0.100000E-04    0.993743E+00
  99    0.351907E-04    0.372804E+02 -0.943946E-06 0.100000E-04    0.983614E+00
 100   -0.314333E-04    0.362062E+02  0.868176E-06 0.100000E-04    0.998488E+00
 101    0.982382E-04    0.349675E+02 -0.280942E-05 0.100000E-04    0.995246E+00
 102    0.426922E-04    0.292868E+02 -0.145773E-05 0.100000E-04    0.988849E+00
 103    0.310967E-04    0.289458E+02 -0.107431E-05 0.100000E-04    0.998057E+00
 104    0.406660E-04    0.287253E+02 -0.141569E-05 0.100000E-04    0.994507E+00
 105   -0.227100E-04    0.232932E+02  0.974964E-06 0.100000E-04    0.991415E+00
 106   -0.222329E-05    0.219216E+02  0.101420E-06 0.100000E-04    0.904292E+00
 107   -0.100010E-03    0.196043E+02  0.510141E-05 0.100000E-04    0.993456E+00
 108   -0.821249E-04    0.167037E+02  0.491657E-05 0.100000E-04    0.996608E+00
 109    0.684685E-04    0.138271E+02 -0.495176E-05 0.100000E-04    0.997568E+00
 110    0.748625E-04    0.125041E+02 -0.598705E-05 0.100000E-04    0.982748E+00
 111   -0.137694E-03    0.112421E+02  0.100000E-04 0.100000E-04    0.955462E+00
 112   -0.163699E-04    0.946849E+01  0.172888E-05 0.100000E-04    0.971004E+00
 113   -0.533773E-02    0.760557E+01  0.123117E-04 0.123117E-04    0.265546E-01
 114    0.283947E+00    0.481276E+01  0.400000E-03 0.400000E-03    0.171487E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5879486917E-01

 Beginning of optimization cycle  129.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3945228426
 potential> RMS force:                                               0.0267788947   |gradient|=.2859203538    
 Eigenvalues of the Hessian matrix:
   721.22586    671.10528    623.99412    603.78634    589.65462    564.67490 
   562.70546    478.59889    469.64952    463.05547    441.44240    431.41334 
   420.58489    406.00103    398.26808    388.50627    366.99927    363.65766 
   352.41111    342.40461    324.28841    322.37749    318.40271    317.09430 
   305.28671    287.39749    279.82658    271.34230    265.76986    262.35672 
   257.78419    253.43740    243.66296    239.12539    234.55989    228.57377 
   224.15474    212.69635    211.28695    209.53114    202.98113    198.43662 
   195.43008    191.61956    186.20909    177.74669    170.76966    168.06855 
   165.71176    160.49771    153.59252    151.02600    148.77849    142.68310 
   136.92261    134.84466    130.98305    127.67093    125.82373    124.78351 
   119.43575    117.94593    116.50313    112.42357    109.93823    105.45246 
   102.83687    100.37998     97.17495     95.06921     91.12631     90.78860 
    88.50970     84.50821     80.88432     79.19446     78.64550     72.93995 
    71.42697     69.12885     67.77020     63.45611     62.04640     59.65645 
    58.66661     55.83152     53.57073     52.26840     50.30175     47.99512 
    43.51503     39.89888     37.27365     36.20604     34.97488     29.27810 
    28.94425     28.72555     23.28836     21.92233     19.60570     16.70584 
    13.82595     12.50106     11.23112      9.47032      7.60590      4.81241 
overlap for current and previous eigenvector    109 is        -0.9999974097
overlap for current and previous eigenvector    110 is        -0.9999948267
overlap for current and previous eigenvector    111 is        -0.9999919635
overlap for current and previous eigenvector    112 is        -0.9999993908
overlap for current and previous eigenvector    113 is         0.9999991620
overlap for current and previous eigenvector    114 is         0.9999993953
J1,K1,R1,R2,RAT=   7   7   -0.6396609898E-01     2.063800553        0.9360339010    
FOB,PFOB,DIAG,PSTEP=   -0.1390443027E-06   -0.1306842491E-06     721.2258644        0.1812123963E-09
J1,K1,R1,R2,RAT=   8   8   -0.2212949474E-01     2.022080863        0.9778705053    
FOB,PFOB,DIAG,PSTEP=   -0.1138327134E-05   -0.1113681329E-05     671.1052839        0.1659513696E-08
J1,K1,R1,R2,RAT=   9   9   -0.1168768402E-01     2.011623557        0.9883123160    
FOB,PFOB,DIAG,PSTEP=    0.7177272302E-06    0.7094353086E-06     623.9941220       -0.1136962723E-08
J1,K1,R1,R2,RAT=  10  10    0.1924753308E-02     1.998032445        0.9980324454    
FOB,PFOB,DIAG,PSTEP=    0.1436540409E-05    0.1439310786E-05     603.7863365       -0.2383859160E-08
J1,K1,R1,R2,RAT=  11  11    0.5934241790E-05     2.000000087        0.9999940658    
FOB,PFOB,DIAG,PSTEP=   -0.9859100286E-06   -0.9859158793E-06     589.6546245        0.1672017601E-08
J1,K1,R1,R2,RAT= 109 109     2.003096135       -0.2930720552E-02    0.9970692794    
FOB,PFOB,DIAG,PSTEP=   -0.6866910101E-04    0.6846845570E-04     13.82594964       -0.4951760645E-05
J1,K1,R1,R2,RAT= 110 110     2.010315678       -0.9835020618E-02    0.9901649794    
FOB,PFOB,DIAG,PSTEP=   -0.7559854931E-04    0.7486245245E-04     12.50106180       -0.5987048648E-05
J1,K1,R1,R2,RAT= 111 111     2.504493343       -0.5248030763E-01    0.9475196924    
FOB,PFOB,DIAG,PSTEP=    0.1435884179E-03   -0.1376942904E-03     11.23112222        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.991398666        0.8215548098E-02    0.9913986655    
FOB,PFOB,DIAG,PSTEP=    0.1623539789E-04   -0.1636991163E-04     9.470320506        0.1728882341E-05
J1,K1,R1,R2,RAT= 113 113   -0.8111903965         114.8144436        0.1888096035    
FOB,PFOB,DIAG,PSTEP=   -0.5413688733E-02   -0.5337727510E-02     7.605895199        0.1231172236E-04
J1,K1,R1,R2,RAT= 114 114    0.9982738193        -296.0136892        0.1726180749E-02
FOB,PFOB,DIAG,PSTEP=    0.2858689585        0.2839473154         4.812414887        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
     0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
     0.00001     -0.00000      0.00000     -0.00001     -0.00001      0.00001 
     0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
     0.00000     -0.00000     -0.00000      0.00001      0.00000      0.00002 
     0.00001     -0.00002      0.00002     -0.00002      0.00000     -0.00003 
     0.00003     -0.00001      0.00001     -0.00002      0.00001      0.00001 
     0.00002      0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
    -0.00000     -0.00003      0.00003      0.00002      0.00003     -0.00001 
     0.00002     -0.00002      0.00004      0.00003     -0.00010     -0.00004 
    -0.00003     -0.00004      0.00002      0.00000      0.00010     -0.00008 
    -0.00007     -0.00008      0.00014      0.00002     -0.00541      0.28587 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4382922821
 Log product of positive Hessian eigenvalues =          520.3874280783
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8124148872
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000017
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000053
 Unscaled step for mode   13=       -0.0000000027
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000035
 Unscaled step for mode   17=       -0.0000000033
 Unscaled step for mode   18=       -0.0000000081
 Unscaled step for mode   19=       -0.0000000178
 Unscaled step for mode   20=       -0.0000000204
 Unscaled step for mode   21=       -0.0000000129
 Unscaled step for mode   22=       -0.0000000006
 Unscaled step for mode   23=        0.0000000050
 Unscaled step for mode   24=       -0.0000000052
 Unscaled step for mode   25=        0.0000000258
 Unscaled step for mode   26=        0.0000000412
 Unscaled step for mode   27=        0.0000000226
 Unscaled step for mode   28=        0.0000000149
 Unscaled step for mode   29=        0.0000000251
 Unscaled step for mode   30=        0.0000000262
 Unscaled step for mode   31=        0.0000000086
 Unscaled step for mode   32=        0.0000000022
 Unscaled step for mode   33=       -0.0000000170
 Unscaled step for mode   34=       -0.0000000084
 Unscaled step for mode   35=       -0.0000000522
 Unscaled step for mode   36=       -0.0000000110
 Unscaled step for mode   37=        0.0000000243
 Unscaled step for mode   38=        0.0000000124
 Unscaled step for mode   39=        0.0000000418
 Unscaled step for mode   40=       -0.0000000234
 Unscaled step for mode   41=       -0.0000000293
 Unscaled step for mode   42=        0.0000000129
 Unscaled step for mode   43=       -0.0000000110
 Unscaled step for mode   44=        0.0000000175
 Unscaled step for mode   45=       -0.0000000175
 Unscaled step for mode   46=       -0.0000000314
 Unscaled step for mode   47=        0.0000000741
 Unscaled step for mode   48=        0.0000000029
 Unscaled step for mode   49=       -0.0000000427
 Unscaled step for mode   50=       -0.0000000307
 Unscaled step for mode   51=        0.0000000314
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=        0.0000000349
 Unscaled step for mode   54=       -0.0000000201
 Unscaled step for mode   55=       -0.0000000699
 Unscaled step for mode   56=        0.0000000257
 Unscaled step for mode   57=       -0.0000000131
 Unscaled step for mode   58=        0.0000000612
 Unscaled step for mode   59=        0.0000000392
 Unscaled step for mode   60=       -0.0000000689
 Unscaled step for mode   61=       -0.0000000552
 Unscaled step for mode   62=        0.0000001586
 Unscaled step for mode   63=        0.0000001060
 Unscaled step for mode   64=        0.0000000280
 Unscaled step for mode   65=        0.0000000078
 Unscaled step for mode   66=        0.0000001228
 Unscaled step for mode   67=       -0.0000000101
 Unscaled step for mode   68=        0.0000000363
 Unscaled step for mode   69=        0.0000000016
 Unscaled step for mode   70=       -0.0000000720
 Unscaled step for mode   71=       -0.0000000035
 Unscaled step for mode   72=       -0.0000001858
 Unscaled step for mode   73=       -0.0000000785
 Unscaled step for mode   74=        0.0000002176
 Unscaled step for mode   75=       -0.0000001639
 Unscaled step for mode   76=        0.0000001950
 Unscaled step for mode   77=       -0.0000000153
 Unscaled step for mode   78=        0.0000003838
 Unscaled step for mode   79=       -0.0000003504
 Unscaled step for mode   80=        0.0000001053
 Unscaled step for mode   81=       -0.0000001261
 Unscaled step for mode   82=        0.0000001915
 Unscaled step for mode   83=       -0.0000001076
 Unscaled step for mode   84=       -0.0000001811
 Unscaled step for mode   85=       -0.0000003333
 Unscaled step for mode   86=       -0.0000004330
 Unscaled step for mode   87=        0.0000000499
 Unscaled step for mode   88=        0.0000000117
 Unscaled step for mode   89=        0.0000004363
 Unscaled step for mode   90=        0.0000002157
 Unscaled step for mode   91=        0.0000000073
 Unscaled step for mode   92=        0.0000005560
 Unscaled step for mode   93=       -0.0000006488
 Unscaled step for mode   94=       -0.0000003507
 Unscaled step for mode   95=       -0.0000006454
 Unscaled step for mode   96=        0.0000001927
 Unscaled step for mode   97=       -0.0000004970
 Unscaled step for mode   98=        0.0000003891
 Unscaled step for mode   99=       -0.0000009541
 Unscaled step for mode  100=       -0.0000008678
 Unscaled step for mode  101=        0.0000028211
 Unscaled step for mode  102=        0.0000014661
 Unscaled step for mode  103=        0.0000010750
 Unscaled step for mode  104=        0.0000014170
 Unscaled step for mode  105=       -0.0000009849
 Unscaled step for mode  106=       -0.0000000903
 Unscaled step for mode  107=       -0.0000051221
 Unscaled step for mode  108=        0.0000049095
 Unscaled step for mode  109=        0.0000049667
 Unscaled step for mode  110=        0.0000060474
 Unscaled step for mode  111=       -0.0000127849
 Unscaled step for mode  112=       -0.0000017143
 Unscaled step for mode  113=        0.0007117750
 Unscaled step for mode  114=        0.0591942490
 Largest modulus ratio of non-zero e/values=           149.8677652    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.987708E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.227682E-17    0.100761E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.229121E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.169569E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.595170E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.250315E-15    0.973562E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.139044E-06    0.721226E+03  0.192789E-09 0.100000E-04    0.936034E+00
   8   -0.113833E-05    0.671105E+03  0.169620E-08 0.100000E-04    0.977871E+00
   9    0.717727E-06    0.623994E+03 -0.115021E-08 0.100000E-04    0.988312E+00
  10    0.143654E-05    0.603786E+03 -0.237922E-08 0.100000E-04    0.998032E+00
  11   -0.985910E-06    0.589655E+03  0.167201E-08 0.100000E-04    0.999994E+00
  12    0.300001E-05    0.564675E+03 -0.531281E-08 0.100000E-04    0.994991E+00
  13    0.151537E-05    0.562705E+03 -0.269301E-08 0.100000E-04    0.981820E+00
  14   -0.565685E-05    0.478599E+03  0.118196E-07 0.100000E-04    0.999695E+00
  15    0.172619E-05    0.469650E+03 -0.367548E-08 0.100000E-04    0.993729E+00
  16    0.163601E-05    0.463055E+03 -0.353308E-08 0.100000E-04    0.992801E+00
  17    0.146719E-05    0.441442E+03 -0.332364E-08 0.100000E-04    0.995513E+00
  18    0.348613E-05    0.431413E+03 -0.808072E-08 0.100000E-04    0.994641E+00
  19    0.747882E-05    0.420585E+03 -0.177819E-07 0.100000E-04    0.994424E+00
  20    0.828429E-05    0.406001E+03 -0.204046E-07 0.100000E-04    0.998547E+00
  21    0.511984E-05    0.398268E+03 -0.128553E-07 0.100000E-04    0.995457E+00
  22    0.233061E-06    0.388506E+03 -0.599891E-09 0.100000E-04    0.910252E+00
  23   -0.182458E-05    0.366999E+03  0.497162E-08 0.100000E-04    0.995730E+00
  24    0.187512E-05    0.363658E+03 -0.515628E-08 0.100000E-04    0.999193E+00
  25   -0.910924E-05    0.352411E+03  0.258483E-07 0.100000E-04    0.993667E+00
  26   -0.141118E-04    0.342405E+03  0.412138E-07 0.100000E-04    0.992991E+00
  27   -0.733027E-05    0.324288E+03  0.226042E-07 0.100000E-04    0.993577E+00
  28   -0.479355E-05    0.322377E+03  0.148694E-07 0.100000E-04    0.992740E+00
  29   -0.799338E-05    0.318403E+03  0.251046E-07 0.100000E-04    0.999921E+00
  30   -0.830213E-05    0.317094E+03  0.261819E-07 0.100000E-04    0.980258E+00
  31   -0.262036E-05    0.305287E+03  0.858329E-08 0.100000E-04    0.983745E+00
  32   -0.638425E-06    0.287397E+03  0.222140E-08 0.100000E-04    0.975839E+00
  33    0.476421E-05    0.279827E+03 -0.170256E-07 0.100000E-04    0.994567E+00
  34    0.227829E-05    0.271342E+03 -0.839636E-08 0.100000E-04    0.995049E+00
  35    0.138821E-04    0.265770E+03 -0.522336E-07 0.100000E-04    0.993250E+00
  36    0.288795E-05    0.262357E+03 -0.110077E-07 0.100000E-04    0.987613E+00
  37   -0.625993E-05    0.257784E+03  0.242836E-07 0.100000E-04    0.991869E+00
  38   -0.313181E-05    0.253437E+03  0.123573E-07 0.100000E-04    0.993095E+00
  39   -0.101898E-04    0.243663E+03  0.418194E-07 0.100000E-04    0.994412E+00
  40    0.558659E-05    0.239125E+03 -0.233626E-07 0.100000E-04    0.986111E+00
  41    0.686262E-05    0.234560E+03 -0.292574E-07 0.100000E-04    0.987470E+00
  42   -0.294874E-05    0.228574E+03  0.129006E-07 0.100000E-04    0.989375E+00
  43    0.246443E-05    0.224155E+03 -0.109943E-07 0.100000E-04    0.985516E+00
  44   -0.372617E-05    0.212696E+03  0.175188E-07 0.100000E-04    0.973992E+00
  45    0.369728E-05    0.211287E+03 -0.174989E-07 0.100000E-04    0.999698E+00
  46    0.657534E-05    0.209531E+03 -0.313812E-07 0.100000E-04    0.987418E+00
  47   -0.150398E-04    0.202981E+03  0.740946E-07 0.100000E-04    0.991904E+00
  48   -0.579018E-06    0.198437E+03  0.291790E-08 0.100000E-04    0.970540E+00
  49    0.835029E-05    0.195430E+03 -0.427278E-07 0.100000E-04    0.990259E+00
  50    0.588177E-05    0.191620E+03 -0.306950E-07 0.100000E-04    0.997352E+00
  51   -0.585373E-05    0.186209E+03  0.314363E-07 0.100000E-04    0.990817E+00
  52    0.330278E-06    0.177747E+03 -0.185814E-08 0.100000E-04    0.981778E+00
  53   -0.595296E-05    0.170770E+03  0.348596E-07 0.100000E-04    0.993402E+00
  54    0.338070E-05    0.168069E+03 -0.201150E-07 0.100000E-04    0.984922E+00
  55    0.115784E-04    0.165712E+03 -0.698709E-07 0.100000E-04    0.993654E+00
  56   -0.412031E-05    0.160498E+03  0.256721E-07 0.100000E-04    0.997572E+00
  57    0.200473E-05    0.153593E+03 -0.130523E-07 0.100000E-04    0.987928E+00
  58   -0.924561E-05    0.151026E+03  0.612186E-07 0.100000E-04    0.993917E+00
  59   -0.582932E-05    0.148778E+03  0.391812E-07 0.100000E-04    0.992095E+00
  60    0.982636E-05    0.142683E+03 -0.688684E-07 0.100000E-04    0.990884E+00
  61    0.755333E-05    0.136923E+03 -0.551650E-07 0.100000E-04    0.993591E+00
  62   -0.213797E-04    0.134845E+03  0.158551E-06 0.100000E-04    0.995279E+00
  63   -0.138891E-04    0.130983E+03  0.106037E-06 0.100000E-04    0.995816E+00
  64   -0.357653E-05    0.127671E+03  0.280137E-07 0.100000E-04    0.984895E+00
  65   -0.977278E-06    0.125824E+03  0.776704E-08 0.100000E-04    0.969979E+00
  66   -0.153248E-04    0.124784E+03  0.122811E-06 0.100000E-04    0.994586E+00
  67    0.121116E-05    0.119436E+03 -0.101407E-07 0.100000E-04    0.983544E+00
  68   -0.427761E-05    0.117946E+03  0.362676E-07 0.100000E-04    0.993106E+00
  69   -0.186014E-06    0.116503E+03  0.159664E-08 0.100000E-04    0.904368E+00
  70    0.809947E-05    0.112424E+03 -0.720442E-07 0.100000E-04    0.987930E+00
  71    0.379756E-06    0.109938E+03 -0.345427E-08 0.100000E-04    0.968613E+00
  72    0.195929E-04    0.105452E+03 -0.185799E-06 0.100000E-04    0.993746E+00
  73    0.807190E-05    0.102837E+03 -0.784922E-07 0.100000E-04    0.987872E+00
  74   -0.218455E-04    0.100380E+03  0.217628E-06 0.100000E-04    0.995641E+00
  75    0.159283E-04    0.971750E+02 -0.163913E-06 0.100000E-04    0.988478E+00
  76   -0.185345E-04    0.950692E+02  0.194958E-06 0.100000E-04    0.992993E+00
  77    0.139467E-05    0.911263E+02 -0.153048E-07 0.100000E-04    0.926641E+00
  78   -0.348489E-04    0.907886E+02  0.383846E-06 0.100000E-04    0.991606E+00
  79    0.310180E-04    0.885097E+02 -0.350447E-06 0.100000E-04    0.998355E+00
  80   -0.889898E-05    0.845082E+02  0.105303E-06 0.100000E-04    0.990398E+00
  81    0.101983E-04    0.808843E+02 -0.126085E-06 0.100000E-04    0.994091E+00
  82   -0.151623E-04    0.791945E+02  0.191457E-06 0.100000E-04    0.999807E+00
  83    0.846212E-05    0.786455E+02 -0.107598E-06 0.100000E-04    0.993722E+00
  84    0.132088E-04    0.729399E+02 -0.181091E-06 0.100000E-04    0.993099E+00
  85    0.238066E-04    0.714270E+02 -0.333299E-06 0.100000E-04    0.995336E+00
  86    0.299346E-04    0.691288E+02 -0.433026E-06 0.100000E-04    0.995278E+00
  87   -0.338100E-05    0.677702E+02  0.498891E-07 0.100000E-04    0.962313E+00
  88   -0.740835E-06    0.634561E+02  0.116748E-07 0.100000E-04    0.993264E+00
  89   -0.270694E-04    0.620464E+02  0.436276E-06 0.100000E-04    0.994336E+00
  90   -0.128675E-04    0.596564E+02  0.215693E-06 0.100000E-04    0.996420E+00
  91   -0.426530E-06    0.586666E+02  0.727040E-08 0.100000E-04    0.957074E+00
  92   -0.310440E-04    0.558315E+02  0.556030E-06 0.100000E-04    0.991367E+00
  93    0.347579E-04    0.535707E+02 -0.648823E-06 0.100000E-04    0.997966E+00
  94    0.183299E-04    0.522684E+02 -0.350689E-06 0.100000E-04    0.993740E+00
  95    0.324663E-04    0.503017E+02 -0.645430E-06 0.100000E-04    0.998398E+00
  96   -0.924931E-05    0.479951E+02  0.192714E-06 0.100000E-04    0.994063E+00
  97    0.216269E-04    0.435150E+02 -0.496998E-06 0.100000E-04    0.995246E+00
  98   -0.155242E-04    0.398989E+02  0.389090E-06 0.100000E-04    0.993881E+00
  99    0.355643E-04    0.372737E+02 -0.954140E-06 0.100000E-04    0.989382E+00
 100    0.314194E-04    0.362060E+02 -0.867794E-06 0.100000E-04    0.999556E+00
 101   -0.986676E-04    0.349749E+02  0.282110E-05 0.100000E-04    0.995630E+00
 102   -0.429257E-04    0.292781E+02  0.146614E-05 0.100000E-04    0.994527E+00
 103   -0.311146E-04    0.289443E+02  0.107498E-05 0.100000E-04    0.999426E+00
 104   -0.407031E-04    0.287256E+02  0.141696E-05 0.100000E-04    0.999090E+00
 105    0.229357E-04    0.232884E+02 -0.984855E-06 0.100000E-04    0.990062E+00
 106    0.198044E-05    0.219223E+02 -0.903388E-07 0.100000E-04    0.890710E+00
 107    0.100422E-03    0.196057E+02 -0.512206E-05 0.100000E-04    0.995879E+00
 108   -0.820179E-04    0.167058E+02  0.490953E-05 0.100000E-04    0.998440E+00
 109   -0.686691E-04    0.138259E+02  0.496668E-05 0.100000E-04    0.997069E+00
 110   -0.755985E-04    0.125011E+02  0.604737E-05 0.100000E-04    0.990165E+00
 111    0.143588E-03    0.112311E+02 -0.100000E-04 0.100000E-04    0.947520E+00
 112    0.162354E-04    0.947032E+01 -0.171435E-05 0.100000E-04    0.991399E+00
 113   -0.541369E-02    0.760590E+01  0.134198E-04 0.134198E-04    0.188810E+00
 114    0.285869E+00    0.481241E+01  0.400000E-03 0.400000E-03    0.172618E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5919424904E-01

 Beginning of optimization cycle  130.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3944081841
 potential> RMS force:                                               0.0269589452   |gradient|=.2878427674    
 Eigenvalues of the Hessian matrix:
   721.28552    671.12148    624.01401    603.79926    589.65267    564.69554 
   562.74401    478.61605    469.62687    463.04462    441.44021    431.40337 
   420.59273    406.01193    398.26430    388.51025    367.00137    363.64734 
   352.40207    342.36545    324.29429    322.36072    318.39428    317.10361 
   305.28398    287.40031    279.82232    271.33611    265.77047    262.36554 
   257.78853    253.43917    243.65070    239.11312    234.57136    228.57623 
   224.13596    212.69543    211.29205    209.51934    202.98386    198.43216 
   195.43248    191.61921    186.20196    177.73200    170.77267    168.06612 
   165.71046    160.49354    153.58898    151.02506    148.78467    142.68691 
   136.92306    134.84968    130.98191    127.67042    125.82712    124.79024 
   119.43638    117.94577    116.50673    112.41616    109.92905    105.44860 
   102.83753    100.37566     97.17269     95.07005     91.12024     90.79544 
    88.52135     84.50974     80.88441     79.19804     78.64341     72.93721 
    71.43009     69.11966     67.77300     63.45446     62.03891     59.65632 
    58.66962     55.83200     53.56789     52.26734     50.30152     47.99425 
    43.51052     39.90160     37.26696     36.20574     34.98224     29.26940 
    28.94267     28.72581     23.28357     21.92302     19.60714     16.70797 
    13.82482     12.49809     11.22007      9.47215      7.60619      4.81203 
overlap for current and previous eigenvector    109 is         0.9999974417
overlap for current and previous eigenvector    110 is         0.9999949356
overlap for current and previous eigenvector    111 is         0.9999920744
overlap for current and previous eigenvector    112 is         0.9999993788
overlap for current and previous eigenvector    113 is         0.9999991578
overlap for current and previous eigenvector    114 is         0.9999993989
J1,K1,R1,R2,RAT=   7   7   -0.5866993089E-01     2.058504504        0.9413300691    
FOB,PFOB,DIAG,PSTEP=   -0.1472026972E-06   -0.1390443027E-06     721.2855243        0.1927888469E-09
J1,K1,R1,R2,RAT=   8   8   -0.2249954386E-01     2.022451289        0.9775004561    
FOB,PFOB,DIAG,PSTEP=   -0.1163939593E-05   -0.1138327134E-05     671.1214762        0.1696197543E-08
J1,K1,R1,R2,RAT=   9   9   -0.1197073093E-01     2.011907002        0.9880292691    
FOB,PFOB,DIAG,PSTEP=    0.7263192235E-06    0.7177272302E-06     624.0140060       -0.1150214729E-08
J1,K1,R1,R2,RAT=  10  10    0.2194965133E-02     1.997762240        0.9977622402    
FOB,PFOB,DIAG,PSTEP=    0.1433387185E-05    0.1436540409E-05     603.7992562       -0.2379219803E-08
J1,K1,R1,R2,RAT=  11  11    0.3517061620E-03     1.999654915        0.9996482938    
FOB,PFOB,DIAG,PSTEP=   -0.9855632792E-06   -0.9859100286E-06     589.6526724        0.1672012713E-08
J1,K1,R1,R2,RAT= 109 109   -0.2998449832E-02     2.003162380        0.9970015502    
FOB,PFOB,DIAG,PSTEP=   -0.6887498499E-04   -0.6866910101E-04     13.82481649        0.4966682419E-05
J1,K1,R1,R2,RAT= 110 110   -0.8975120824E-02     2.009449952        0.9910248792    
FOB,PFOB,DIAG,PSTEP=   -0.7627689438E-04   -0.7559854931E-04     12.49809456        0.6047370255E-05
J1,K1,R1,R2,RAT= 111 111   -0.6105273665E-01     2.620544337        0.9389472634    
FOB,PFOB,DIAG,PSTEP=    0.1504385797E-03    0.1435884179E-03     11.22007338       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6825034247E-02     1.992788882        0.9927888823    
FOB,PFOB,DIAG,PSTEP=    0.1612456935E-04    0.1623539789E-04     9.472149026       -0.1714345135E-05
J1,K1,R1,R2,RAT= 113 113   -0.6631076152         106.7376167        0.3368923848    
FOB,PFOB,DIAG,PSTEP=   -0.5481374330E-02   -0.5413688733E-02     7.606185902        0.1341977737E-04
J1,K1,R1,R2,RAT= 114 114    0.9982641637        -298.0339042        0.1735836291E-02
FOB,PFOB,DIAG,PSTEP=    0.2877904298        0.2858689585         4.812031285        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
     0.00001     -0.00000      0.00000     -0.00001     -0.00001     -0.00001 
     0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
     0.00000     -0.00000     -0.00000      0.00001      0.00000      0.00002 
     0.00001     -0.00002      0.00002     -0.00002      0.00000      0.00004 
     0.00003     -0.00001      0.00001     -0.00002      0.00001      0.00001 
    -0.00002     -0.00003     -0.00000      0.00000      0.00003     -0.00001 
    -0.00000     -0.00003      0.00003      0.00002      0.00003     -0.00001 
     0.00002     -0.00002      0.00004      0.00003      0.00010      0.00004 
     0.00003      0.00004     -0.00002      0.00000      0.00010     -0.00008 
    -0.00007     -0.00008      0.00015      0.00002     -0.00548      0.28779 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4383204374
 Log product of positive Hessian eigenvalues =          520.3855602787
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8120312850
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000017
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000053
 Unscaled step for mode   13=       -0.0000000026
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000036
 Unscaled step for mode   17=       -0.0000000033
 Unscaled step for mode   18=       -0.0000000081
 Unscaled step for mode   19=       -0.0000000179
 Unscaled step for mode   20=       -0.0000000204
 Unscaled step for mode   21=       -0.0000000129
 Unscaled step for mode   22=       -0.0000000007
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000260
 Unscaled step for mode   26=        0.0000000415
 Unscaled step for mode   27=        0.0000000227
 Unscaled step for mode   28=        0.0000000148
 Unscaled step for mode   29=        0.0000000251
 Unscaled step for mode   30=        0.0000000267
 Unscaled step for mode   31=        0.0000000087
 Unscaled step for mode   32=        0.0000000023
 Unscaled step for mode   33=       -0.0000000171
 Unscaled step for mode   34=       -0.0000000084
 Unscaled step for mode   35=       -0.0000000526
 Unscaled step for mode   36=       -0.0000000111
 Unscaled step for mode   37=        0.0000000245
 Unscaled step for mode   38=        0.0000000124
 Unscaled step for mode   39=        0.0000000421
 Unscaled step for mode   40=       -0.0000000237
 Unscaled step for mode   41=       -0.0000000296
 Unscaled step for mode   42=        0.0000000130
 Unscaled step for mode   43=       -0.0000000112
 Unscaled step for mode   44=        0.0000000180
 Unscaled step for mode   45=       -0.0000000175
 Unscaled step for mode   46=       -0.0000000318
 Unscaled step for mode   47=        0.0000000747
 Unscaled step for mode   48=        0.0000000028
 Unscaled step for mode   49=        0.0000000431
 Unscaled step for mode   50=       -0.0000000308
 Unscaled step for mode   51=        0.0000000317
 Unscaled step for mode   52=       -0.0000000018
 Unscaled step for mode   53=        0.0000000351
 Unscaled step for mode   54=       -0.0000000204
 Unscaled step for mode   55=       -0.0000000703
 Unscaled step for mode   56=        0.0000000257
 Unscaled step for mode   57=       -0.0000000132
 Unscaled step for mode   58=        0.0000000616
 Unscaled step for mode   59=        0.0000000395
 Unscaled step for mode   60=        0.0000000695
 Unscaled step for mode   61=       -0.0000000555
 Unscaled step for mode   62=        0.0000001593
 Unscaled step for mode   63=        0.0000001065
 Unscaled step for mode   64=        0.0000000284
 Unscaled step for mode   65=        0.0000000075
 Unscaled step for mode   66=        0.0000001235
 Unscaled step for mode   67=       -0.0000000103
 Unscaled step for mode   68=        0.0000000365
 Unscaled step for mode   69=        0.0000000017
 Unscaled step for mode   70=       -0.0000000729
 Unscaled step for mode   71=       -0.0000000036
 Unscaled step for mode   72=       -0.0000001869
 Unscaled step for mode   73=       -0.0000000794
 Unscaled step for mode   74=        0.0000002186
 Unscaled step for mode   75=       -0.0000001658
 Unscaled step for mode   76=        0.0000001963
 Unscaled step for mode   77=       -0.0000000164
 Unscaled step for mode   78=       -0.0000003870
 Unscaled step for mode   79=       -0.0000003509
 Unscaled step for mode   80=        0.0000001063
 Unscaled step for mode   81=       -0.0000001268
 Unscaled step for mode   82=        0.0000001915
 Unscaled step for mode   83=       -0.0000001083
 Unscaled step for mode   84=       -0.0000001823
 Unscaled step for mode   85=        0.0000003348
 Unscaled step for mode   86=        0.0000004351
 Unscaled step for mode   87=        0.0000000479
 Unscaled step for mode   88=       -0.0000000117
 Unscaled step for mode   89=       -0.0000004387
 Unscaled step for mode   90=        0.0000002163
 Unscaled step for mode   91=        0.0000000069
 Unscaled step for mode   92=        0.0000005609
 Unscaled step for mode   93=       -0.0000006501
 Unscaled step for mode   94=       -0.0000003529
 Unscaled step for mode   95=       -0.0000006464
 Unscaled step for mode   96=        0.0000001939
 Unscaled step for mode   97=       -0.0000004992
 Unscaled step for mode   98=        0.0000003914
 Unscaled step for mode   99=       -0.0000009641
 Unscaled step for mode  100=       -0.0000008674
 Unscaled step for mode  101=       -0.0000028325
 Unscaled step for mode  102=       -0.0000014744
 Unscaled step for mode  103=       -0.0000010752
 Unscaled step for mode  104=       -0.0000014179
 Unscaled step for mode  105=        0.0000009942
 Unscaled step for mode  106=       -0.0000000784
 Unscaled step for mode  107=       -0.0000051418
 Unscaled step for mode  108=        0.0000049033
 Unscaled step for mode  109=        0.0000049820
 Unscaled step for mode  110=        0.0000061031
 Unscaled step for mode  111=       -0.0000134080
 Unscaled step for mode  112=       -0.0000017023
 Unscaled step for mode  113=        0.0007206465
 Unscaled step for mode  114=        0.0595940342
 Largest modulus ratio of non-zero e/values=           149.8921103    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.880372E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.283410E-15    0.100761E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.293195E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.205131E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.192905E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.190779E-15    0.973563E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.147203E-06    0.721286E+03  0.204084E-09 0.100000E-04    0.941330E+00
   8   -0.116394E-05    0.671121E+03  0.173432E-08 0.100000E-04    0.977500E+00
   9    0.726319E-06    0.624014E+03 -0.116395E-08 0.100000E-04    0.988029E+00
  10    0.143339E-05    0.603799E+03 -0.237395E-08 0.100000E-04    0.997762E+00
  11   -0.985563E-06    0.589653E+03  0.167143E-08 0.100000E-04    0.999648E+00
  12    0.301528E-05    0.564696E+03 -0.533965E-08 0.100000E-04    0.994912E+00
  13    0.148639E-05    0.562744E+03 -0.264133E-08 0.100000E-04    0.980740E+00
  14   -0.565837E-05    0.478616E+03  0.118224E-07 0.100000E-04    0.999732E+00
  15    0.173768E-05    0.469627E+03 -0.370013E-08 0.100000E-04    0.993342E+00
  16    0.164764E-05    0.463045E+03 -0.355828E-08 0.100000E-04    0.992892E+00
  17    0.147318E-05    0.441440E+03 -0.333722E-08 0.100000E-04    0.995917E+00
  18    0.350445E-05    0.431403E+03 -0.812336E-08 0.100000E-04    0.994746E+00
  19    0.752012E-05    0.420593E+03 -0.178798E-07 0.100000E-04    0.994478E+00
  20    0.829493E-05    0.406012E+03 -0.204303E-07 0.100000E-04    0.998716E+00
  21    0.514188E-05    0.398264E+03 -0.129107E-07 0.100000E-04    0.995694E+00
  22    0.252629E-06    0.388510E+03 -0.650249E-09 0.100000E-04    0.916044E+00
  23   -0.181631E-05    0.367001E+03  0.494904E-08 0.100000E-04    0.995454E+00
  24    0.187278E-05    0.363647E+03 -0.514998E-08 0.100000E-04    0.998749E+00
  25   -0.916713E-05    0.352402E+03  0.260133E-07 0.100000E-04    0.993645E+00
  26   -0.142092E-04    0.342365E+03  0.415031E-07 0.100000E-04    0.993093E+00
  27   -0.737735E-05    0.324294E+03  0.227489E-07 0.100000E-04    0.993577E+00
  28   -0.475858E-05    0.322361E+03  0.147617E-07 0.100000E-04    0.992704E+00
  29   -0.798798E-05    0.318394E+03  0.250883E-07 0.100000E-04    0.999325E+00
  30   -0.846705E-05    0.317104E+03  0.267012E-07 0.100000E-04    0.980136E+00
  31   -0.266308E-05    0.305284E+03  0.872327E-08 0.100000E-04    0.983700E+00
  32   -0.653138E-06    0.287400E+03  0.227257E-08 0.100000E-04    0.976955E+00
  33    0.478934E-05    0.279822E+03 -0.171156E-07 0.100000E-04    0.994726E+00
  34    0.228780E-05    0.271336E+03 -0.843160E-08 0.100000E-04    0.995826E+00
  35    0.139771E-04    0.265770E+03 -0.525908E-07 0.100000E-04    0.993160E+00
  36    0.292330E-05    0.262366E+03 -0.111421E-07 0.100000E-04    0.987757E+00
  37   -0.631019E-05    0.257789E+03  0.244782E-07 0.100000E-04    0.991971E+00
  38   -0.315362E-05    0.253439E+03  0.124433E-07 0.100000E-04    0.993037E+00
  39   -0.102456E-04    0.243651E+03  0.420503E-07 0.100000E-04    0.994529E+00
  40    0.566460E-05    0.239113E+03 -0.236901E-07 0.100000E-04    0.986034E+00
  41    0.694881E-05    0.234571E+03 -0.296234E-07 0.100000E-04    0.987441E+00
  42   -0.298158E-05    0.228576E+03  0.130441E-07 0.100000E-04    0.988863E+00
  43    0.250119E-05    0.224136E+03 -0.111593E-07 0.100000E-04    0.985080E+00
  44   -0.382476E-05    0.212695E+03  0.179823E-07 0.100000E-04    0.973543E+00
  45    0.369732E-05    0.211292E+03 -0.174986E-07 0.100000E-04    0.999963E+00
  46    0.665869E-05    0.209519E+03 -0.317808E-07 0.100000E-04    0.987323E+00
  47   -0.151617E-04    0.202984E+03  0.746944E-07 0.100000E-04    0.991893E+00
  48   -0.561032E-06    0.198432E+03  0.282732E-08 0.100000E-04    0.968937E+00
  49   -0.843174E-05    0.195432E+03  0.431440E-07 0.100000E-04    0.990246E+00
  50    0.589396E-05    0.191619E+03 -0.307587E-07 0.100000E-04    0.997927E+00
  51   -0.590823E-05    0.186202E+03  0.317302E-07 0.100000E-04    0.990690E+00
  52    0.323253E-06    0.177732E+03 -0.181877E-08 0.100000E-04    0.978728E+00
  53   -0.599174E-05    0.170773E+03  0.350861E-07 0.100000E-04    0.993486E+00
  54    0.343205E-05    0.168066E+03 -0.204208E-07 0.100000E-04    0.984809E+00
  55    0.116526E-04    0.165710E+03 -0.703191E-07 0.100000E-04    0.993594E+00
  56   -0.412925E-05    0.160494E+03  0.257284E-07 0.100000E-04    0.997831E+00
  57    0.202894E-05    0.153589E+03 -0.132102E-07 0.100000E-04    0.987923E+00
  58   -0.930165E-05    0.151025E+03  0.615901E-07 0.100000E-04    0.993939E+00
  59   -0.587550E-05    0.148785E+03  0.394899E-07 0.100000E-04    0.992078E+00
  60   -0.991612E-05    0.142687E+03  0.694957E-07 0.100000E-04    0.990866E+00
  61    0.759974E-05    0.136923E+03 -0.555037E-07 0.100000E-04    0.993855E+00
  62   -0.214791E-04    0.134850E+03  0.159282E-06 0.100000E-04    0.995352E+00
  63   -0.139438E-04    0.130982E+03  0.106456E-06 0.100000E-04    0.996059E+00
  64   -0.362968E-05    0.127670E+03  0.284301E-07 0.100000E-04    0.985139E+00
  65   -0.946248E-06    0.125827E+03  0.752022E-08 0.100000E-04    0.968196E+00
  66   -0.154063E-04    0.124790E+03  0.123458E-06 0.100000E-04    0.994683E+00
  67    0.123276E-05    0.119436E+03 -0.103214E-07 0.100000E-04    0.982168E+00
  68   -0.430707E-05    0.117946E+03  0.365174E-07 0.100000E-04    0.993114E+00
  69   -0.201498E-06    0.116507E+03  0.172950E-08 0.100000E-04    0.916760E+00
  70    0.819903E-05    0.112416E+03 -0.729346E-07 0.100000E-04    0.987707E+00
  71    0.391313E-06    0.109929E+03 -0.355969E-08 0.100000E-04    0.969564E+00
  72    0.197115E-04    0.105449E+03 -0.186930E-06 0.100000E-04    0.993948E+00
  73    0.817016E-05    0.102838E+03 -0.794472E-07 0.100000E-04    0.987827E+00
  74   -0.219371E-04    0.100376E+03  0.218550E-06 0.100000E-04    0.995805E+00
  75    0.161115E-04    0.971727E+02 -0.165803E-06 0.100000E-04    0.988494E+00
  76   -0.186645E-04    0.950701E+02  0.196323E-06 0.100000E-04    0.992990E+00
  77    0.149882E-05    0.911202E+02 -0.164488E-07 0.100000E-04    0.925316E+00
  78    0.351408E-04    0.907954E+02 -0.387033E-06 0.100000E-04    0.991623E+00
  79    0.310654E-04    0.885213E+02 -0.350937E-06 0.100000E-04    0.998472E+00
  80   -0.898429E-05    0.845097E+02  0.106311E-06 0.100000E-04    0.990414E+00
  81    0.102578E-04    0.808844E+02 -0.126820E-06 0.100000E-04    0.994165E+00
  82   -0.151629E-04    0.791980E+02  0.191456E-06 0.100000E-04    0.999951E+00
  83    0.851748E-05    0.786434E+02 -0.108305E-06 0.100000E-04    0.993457E+00
  84    0.132968E-04    0.729372E+02 -0.182304E-06 0.100000E-04    0.993340E+00
  85   -0.239136E-04    0.714301E+02  0.334784E-06 0.100000E-04    0.995502E+00
  86   -0.300727E-04    0.691197E+02  0.435082E-06 0.100000E-04    0.995386E+00
  87   -0.324677E-05    0.677730E+02  0.479065E-07 0.100000E-04    0.960218E+00
  88    0.742710E-06    0.634545E+02 -0.117046E-07 0.100000E-04    0.997469E+00
  89    0.272158E-04    0.620389E+02 -0.438690E-06 0.100000E-04    0.994589E+00
  90   -0.129063E-04    0.596563E+02  0.216344E-06 0.100000E-04    0.996988E+00
  91   -0.407113E-06    0.586696E+02  0.693909E-08 0.100000E-04    0.954378E+00
  92   -0.313136E-04    0.558320E+02  0.560854E-06 0.100000E-04    0.991316E+00
  93    0.348240E-04    0.535679E+02 -0.650091E-06 0.100000E-04    0.998099E+00
  94    0.184431E-04    0.522673E+02 -0.352862E-06 0.100000E-04    0.993825E+00
  95    0.325152E-04    0.503015E+02 -0.646405E-06 0.100000E-04    0.998494E+00
  96   -0.930581E-05    0.479943E+02  0.193894E-06 0.100000E-04    0.993891E+00
  97    0.217203E-04    0.435105E+02 -0.499196E-06 0.100000E-04    0.995681E+00
  98   -0.156194E-04    0.399016E+02  0.391448E-06 0.100000E-04    0.993869E+00
  99    0.359272E-04    0.372670E+02 -0.964051E-06 0.100000E-04    0.989792E+00
 100    0.314057E-04    0.362057E+02 -0.867423E-06 0.100000E-04    0.999563E+00
 101    0.990868E-04    0.349822E+02 -0.283249E-05 0.100000E-04    0.995753E+00
 102    0.431540E-04    0.292694E+02 -0.147437E-05 0.100000E-04    0.994682E+00
 103    0.311184E-04    0.289427E+02 -0.107517E-05 0.100000E-04    0.999879E+00
 104    0.407305E-04    0.287258E+02 -0.141791E-05 0.100000E-04    0.999326E+00
 105   -0.231486E-04    0.232836E+02  0.994204E-06 0.100000E-04    0.990714E+00
 106    0.171866E-05    0.219230E+02 -0.783952E-07 0.100000E-04    0.867759E+00
 107    0.100816E-03    0.196071E+02 -0.514178E-05 0.100000E-04    0.996078E+00
 108   -0.819243E-04    0.167080E+02  0.490331E-05 0.100000E-04    0.998605E+00
 109   -0.688750E-04    0.138248E+02  0.498198E-05 0.100000E-04    0.997002E+00
 110   -0.762769E-04    0.124981E+02  0.610308E-05 0.100000E-04    0.991025E+00
 111    0.150439E-03    0.112201E+02 -0.100000E-04 0.100000E-04    0.938947E+00
 112    0.161246E-04    0.947215E+01 -0.170231E-05 0.100000E-04    0.992789E+00
 113   -0.548137E-02    0.760619E+01  0.120899E-04 0.120899E-04    0.336892E+00
 114    0.287790E+00    0.481203E+01  0.400000E-03 0.400000E-03    0.173584E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5959403417E-01

 Beginning of optimization cycle  131.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3942927509
 potential> RMS force:                                               0.0271389969   |gradient|=.2897651937    
 Eigenvalues of the Hessian matrix:
   721.34526    671.13772    624.03387    603.81191    589.65076    564.71611 
   562.78252    478.63328    469.60422    463.03375    441.43801    431.39331 
   420.60050    406.02278    398.26051    388.51419    367.00344    363.63705 
   352.39297    342.32627    324.30014    322.34422    318.38617    317.11233 
   305.28118    287.40315    279.81805    271.32989    265.77110    262.37432 
   257.79279    253.44095    243.63847    239.10075    234.58281    228.57865 
   224.11714    212.69456    211.29712    209.50749    202.98658    198.42767 
   195.43483    191.61888    186.19477    177.71735    170.77576    168.06361 
   165.70915    160.48936    153.58548    151.02409    148.79088    142.69074 
   136.92350    134.85468    130.98080    127.66991    125.83051    124.79695 
   119.43704    117.94563    116.51033    112.40876    109.91987    105.44477 
   102.83822    100.37134     97.17041     95.07092     91.11417     90.80230 
    88.53298     84.51128     80.88449     79.20161     78.64132     72.93450 
    71.43326     69.11050     67.77583     63.45284     62.03144     59.65619 
    58.67264     55.83254     53.56506     52.26630     50.30129     47.99341 
    43.50601     39.90434     37.26033     36.20546     34.98965     29.26076 
    28.94106     28.72606     23.27876     21.92369     19.60867     16.71007 
    13.82370     12.49515     11.20900      9.47397      7.60648      4.81162 
overlap for current and previous eigenvector    109 is        -0.9999974813
overlap for current and previous eigenvector    110 is        -0.9999950389
overlap for current and previous eigenvector    111 is         0.9999921984
overlap for current and previous eigenvector    112 is         0.9999993683
overlap for current and previous eigenvector    113 is         0.9999991506
overlap for current and previous eigenvector    114 is         0.9999994017
J1,K1,R1,R2,RAT=   7   7   -0.8174855418E-01     2.081582919        0.9182514458    
FOB,PFOB,DIAG,PSTEP=   -0.1592373015E-06   -0.1472026972E-06     721.3452645        0.2040838090E-09
J1,K1,R1,R2,RAT=   8   8   -0.1494710920E-02     2.001446297        0.9985052891    
FOB,PFOB,DIAG,PSTEP=   -0.1165679388E-05   -0.1163939593E-05     671.1377224        0.1734320290E-08
J1,K1,R1,R2,RAT=   9   9    0.7874931923E-02     1.992061415        0.9920614153    
FOB,PFOB,DIAG,PSTEP=    0.7205993270E-06    0.7263192235E-06     624.0338667       -0.1163946989E-08
J1,K1,R1,R2,RAT=  10  10   -0.7630479676E-02     2.007588555        0.9923695203    
FOB,PFOB,DIAG,PSTEP=    0.1444324846E-05    0.1433387185E-05     603.8119136       -0.2373946590E-08
J1,K1,R1,R2,RAT=  11  11   -0.3685452866E-02     2.003691929        0.9963145471    
FOB,PFOB,DIAG,PSTEP=   -0.9891955144E-06   -0.9855632792E-06     589.6507630        0.1671430192E-08
J1,K1,R1,R2,RAT= 109 109     2.002405696       -0.2244650686E-02    0.9977553493    
FOB,PFOB,DIAG,PSTEP=    0.6902957283E-04   -0.6887498499E-04     13.82370337        0.4981981861E-05
J1,K1,R1,R2,RAT= 110 110     2.017452643       -0.1698141682E-01    0.9830185832    
FOB,PFOB,DIAG,PSTEP=    0.7757187900E-04   -0.7627689438E-04     12.49515054        0.6103081873E-05
J1,K1,R1,R2,RAT= 111 111   -0.6333304703E-01     2.747580264        0.9366669530    
FOB,PFOB,DIAG,PSTEP=    0.1575375783E-03    0.1504385797E-03     11.20899586       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.3080342971E-01     1.968812590        0.9688125901    
FOB,PFOB,DIAG,PSTEP=    0.1562778193E-04    0.1612456935E-04     9.473967934       -0.1702313731E-05
J1,K1,R1,R2,RAT= 113 113   -0.8517233568         120.0618995        0.1482766432    
FOB,PFOB,DIAG,PSTEP=   -0.5559700102E-02   -0.5481374330E-02     7.606481184        0.1208988953E-04
J1,K1,R1,R2,RAT= 114 114    0.9982475353        -300.0558267        0.1752464663E-02
FOB,PFOB,DIAG,PSTEP=    0.2897117059        0.2877904298         4.811622407        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00001      0.00002      0.00001      0.00000      0.00000     -0.00002 
     0.00000     -0.00000     -0.00000      0.00001     -0.00000     -0.00002 
     0.00001     -0.00002      0.00002     -0.00002     -0.00000     -0.00004 
     0.00003     -0.00001      0.00001     -0.00002      0.00001      0.00001 
    -0.00002      0.00003      0.00000     -0.00000     -0.00003     -0.00001 
     0.00000     -0.00003     -0.00003     -0.00002      0.00003     -0.00001 
     0.00002      0.00002     -0.00004     -0.00003     -0.00010     -0.00004 
    -0.00003     -0.00004      0.00002     -0.00000      0.00010     -0.00008 
     0.00007      0.00008      0.00016      0.00002     -0.00556      0.28971 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4383447164
 Log product of positive Hessian eigenvalues =          520.3836950921
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8116224073
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000017
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000053
 Unscaled step for mode   13=       -0.0000000026
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000036
 Unscaled step for mode   17=       -0.0000000034
 Unscaled step for mode   18=       -0.0000000081
 Unscaled step for mode   19=       -0.0000000180
 Unscaled step for mode   20=       -0.0000000205
 Unscaled step for mode   21=       -0.0000000130
 Unscaled step for mode   22=       -0.0000000007
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000262
 Unscaled step for mode   26=        0.0000000418
 Unscaled step for mode   27=        0.0000000229
 Unscaled step for mode   28=        0.0000000146
 Unscaled step for mode   29=        0.0000000250
 Unscaled step for mode   30=        0.0000000272
 Unscaled step for mode   31=        0.0000000088
 Unscaled step for mode   32=        0.0000000024
 Unscaled step for mode   33=       -0.0000000172
 Unscaled step for mode   34=       -0.0000000085
 Unscaled step for mode   35=       -0.0000000529
 Unscaled step for mode   36=       -0.0000000113
 Unscaled step for mode   37=        0.0000000247
 Unscaled step for mode   38=        0.0000000125
 Unscaled step for mode   39=        0.0000000423
 Unscaled step for mode   40=       -0.0000000240
 Unscaled step for mode   41=       -0.0000000300
 Unscaled step for mode   42=        0.0000000132
 Unscaled step for mode   43=       -0.0000000112
 Unscaled step for mode   44=        0.0000000182
 Unscaled step for mode   45=       -0.0000000175
 Unscaled step for mode   46=       -0.0000000320
 Unscaled step for mode   47=        0.0000000751
 Unscaled step for mode   48=        0.0000000027
 Unscaled step for mode   49=        0.0000000434
 Unscaled step for mode   50=       -0.0000000310
 Unscaled step for mode   51=        0.0000000319
 Unscaled step for mode   52=       -0.0000000018
 Unscaled step for mode   53=        0.0000000352
 Unscaled step for mode   54=        0.0000000206
 Unscaled step for mode   55=       -0.0000000707
 Unscaled step for mode   56=        0.0000000259
 Unscaled step for mode   57=       -0.0000000133
 Unscaled step for mode   58=        0.0000000621
 Unscaled step for mode   59=        0.0000000395
 Unscaled step for mode   60=       -0.0000000698
 Unscaled step for mode   61=        0.0000000560
 Unscaled step for mode   62=       -0.0000001601
 Unscaled step for mode   63=       -0.0000001072
 Unscaled step for mode   64=       -0.0000000288
 Unscaled step for mode   65=       -0.0000000075
 Unscaled step for mode   66=        0.0000001243
 Unscaled step for mode   67=       -0.0000000103
 Unscaled step for mode   68=        0.0000000368
 Unscaled step for mode   69=        0.0000000020
 Unscaled step for mode   70=       -0.0000000735
 Unscaled step for mode   71=        0.0000000037
 Unscaled step for mode   72=        0.0000001887
 Unscaled step for mode   73=       -0.0000000803
 Unscaled step for mode   74=        0.0000002199
 Unscaled step for mode   75=       -0.0000001673
 Unscaled step for mode   76=        0.0000001976
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=        0.0000003894
 Unscaled step for mode   79=       -0.0000003518
 Unscaled step for mode   80=        0.0000001072
 Unscaled step for mode   81=       -0.0000001277
 Unscaled step for mode   82=        0.0000001919
 Unscaled step for mode   83=       -0.0000001083
 Unscaled step for mode   84=       -0.0000001843
 Unscaled step for mode   85=        0.0000003373
 Unscaled step for mode   86=       -0.0000004373
 Unscaled step for mode   87=       -0.0000000466
 Unscaled step for mode   88=        0.0000000127
 Unscaled step for mode   89=        0.0000004417
 Unscaled step for mode   90=        0.0000002186
 Unscaled step for mode   91=       -0.0000000066
 Unscaled step for mode   92=        0.0000005646
 Unscaled step for mode   93=        0.0000006530
 Unscaled step for mode   94=        0.0000003566
 Unscaled step for mode   95=       -0.0000006485
 Unscaled step for mode   96=        0.0000001940
 Unscaled step for mode   97=       -0.0000005032
 Unscaled step for mode   98=       -0.0000003939
 Unscaled step for mode   99=        0.0000009801
 Unscaled step for mode  100=        0.0000008683
 Unscaled step for mode  101=        0.0000028448
 Unscaled step for mode  102=        0.0000014920
 Unscaled step for mode  103=        0.0000010762
 Unscaled step for mode  104=        0.0000014257
 Unscaled step for mode  105=       -0.0000010026
 Unscaled step for mode  106=        0.0000000881
 Unscaled step for mode  107=       -0.0000051743
 Unscaled step for mode  108=        0.0000048856
 Unscaled step for mode  109=       -0.0000049936
 Unscaled step for mode  110=       -0.0000062082
 Unscaled step for mode  111=       -0.0000140546
 Unscaled step for mode  112=       -0.0000016495
 Unscaled step for mode  113=        0.0007309158
 Unscaled step for mode  114=        0.0599940986
 Largest modulus ratio of non-zero e/values=           149.9172635    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.104300E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.378387E-16    0.100761E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.141380E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.105168E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.745272E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.950981E-16    0.973565E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.159237E-06    0.721345E+03  0.220750E-09 0.100000E-04    0.918251E+00
   8   -0.116568E-05    0.671138E+03  0.173687E-08 0.100000E-04    0.998505E+00
   9    0.720599E-06    0.624034E+03 -0.115474E-08 0.100000E-04    0.992061E+00
  10    0.144432E-05    0.603812E+03 -0.239201E-08 0.100000E-04    0.992370E+00
  11   -0.989196E-06    0.589651E+03  0.167760E-08 0.100000E-04    0.996315E+00
  12    0.301850E-05    0.564716E+03 -0.534516E-08 0.100000E-04    0.998932E+00
  13    0.147844E-05    0.562783E+03 -0.262703E-08 0.100000E-04    0.994516E+00
  14   -0.566692E-05    0.478633E+03  0.118398E-07 0.100000E-04    0.998489E+00
  15    0.172957E-05    0.469604E+03 -0.368305E-08 0.100000E-04    0.995335E+00
  16    0.167152E-05    0.463034E+03 -0.360993E-08 0.100000E-04    0.985506E+00
  17    0.149975E-05    0.441438E+03 -0.339742E-08 0.100000E-04    0.981966E+00
  18    0.351390E-05    0.431393E+03 -0.814546E-08 0.100000E-04    0.997303E+00
  19    0.756866E-05    0.420601E+03 -0.179949E-07 0.100000E-04    0.993545E+00
  20    0.832253E-05    0.406023E+03 -0.204977E-07 0.100000E-04    0.996672E+00
  21    0.517274E-05    0.398261E+03 -0.129883E-07 0.100000E-04    0.993998E+00
  22    0.277920E-06    0.388514E+03 -0.715341E-09 0.100000E-04    0.899887E+00
  23   -0.181364E-05    0.367003E+03  0.494176E-08 0.100000E-04    0.998523E+00
  24    0.186944E-05    0.363637E+03 -0.514094E-08 0.100000E-04    0.998217E+00
  25   -0.922056E-05    0.352393E+03  0.261656E-07 0.100000E-04    0.994171E+00
  26   -0.143105E-04    0.342326E+03  0.418037E-07 0.100000E-04    0.992873E+00
  27   -0.741391E-05    0.324300E+03  0.228613E-07 0.100000E-04    0.995044E+00
  28   -0.471451E-05    0.322344E+03  0.146257E-07 0.100000E-04    0.990739E+00
  29   -0.794445E-05    0.318386E+03  0.249522E-07 0.100000E-04    0.994550E+00
  30   -0.863378E-05    0.317112E+03  0.272263E-07 0.100000E-04    0.980309E+00
  31   -0.268452E-05    0.305281E+03  0.879359E-08 0.100000E-04    0.991948E+00
  32   -0.675697E-06    0.287403E+03  0.235104E-08 0.100000E-04    0.965460E+00
  33    0.482655E-05    0.279818E+03 -0.172489E-07 0.100000E-04    0.992229E+00
  34    0.231970E-05    0.271330E+03 -0.854937E-08 0.100000E-04    0.986055E+00
  35    0.140464E-04    0.265771E+03 -0.528515E-07 0.100000E-04    0.995040E+00
  36    0.296774E-05    0.262374E+03 -0.113111E-07 0.100000E-04    0.984800E+00
  37   -0.635541E-05    0.257793E+03  0.246532E-07 0.100000E-04    0.992833E+00
  38   -0.315766E-05    0.253441E+03  0.124592E-07 0.100000E-04    0.998719E+00
  39   -0.103124E-04    0.243638E+03  0.423267E-07 0.100000E-04    0.993476E+00
  40    0.572653E-05    0.239101E+03 -0.239503E-07 0.100000E-04    0.989067E+00
  41    0.703583E-05    0.234583E+03 -0.299929E-07 0.100000E-04    0.987477E+00
  42   -0.300717E-05    0.228579E+03  0.131560E-07 0.100000E-04    0.991415E+00
  43    0.251921E-05    0.224117E+03 -0.112406E-07 0.100000E-04    0.992794E+00
  44   -0.386236E-05    0.212695E+03  0.181592E-07 0.100000E-04    0.990170E+00
  45    0.370758E-05    0.211297E+03 -0.175467E-07 0.100000E-04    0.997227E+00
  46    0.670759E-05    0.209507E+03 -0.320160E-07 0.100000E-04    0.992656E+00
  47   -0.152480E-04    0.202987E+03  0.751183E-07 0.100000E-04    0.994311E+00
  48   -0.544894E-06    0.198428E+03  0.274606E-08 0.100000E-04    0.971235E+00
  49   -0.849056E-05    0.195435E+03  0.434444E-07 0.100000E-04    0.993024E+00
  50    0.594957E-05    0.191619E+03 -0.310490E-07 0.100000E-04    0.990565E+00
  51   -0.593702E-05    0.186195E+03  0.318861E-07 0.100000E-04    0.995127E+00
  52    0.320924E-06    0.177717E+03 -0.180581E-08 0.100000E-04    0.992792E+00
  53   -0.601463E-05    0.170776E+03  0.352194E-07 0.100000E-04    0.996180E+00
  54   -0.346380E-05    0.168064E+03  0.206101E-07 0.100000E-04    0.990749E+00
  55    0.117104E-04    0.165709E+03 -0.706686E-07 0.100000E-04    0.995037E+00
  56   -0.416078E-05    0.160489E+03  0.259256E-07 0.100000E-04    0.992364E+00
  57    0.204140E-05    0.153585E+03 -0.132916E-07 0.100000E-04    0.993859E+00
  58   -0.937245E-05    0.151024E+03  0.620593E-07 0.100000E-04    0.992388E+00
  59   -0.588314E-05    0.148791E+03  0.395396E-07 0.100000E-04    0.998700E+00
  60    0.995515E-05    0.142691E+03 -0.697673E-07 0.100000E-04    0.996065E+00
  61   -0.767267E-05    0.136924E+03  0.560362E-07 0.100000E-04    0.990403E+00
  62    0.215935E-04    0.134855E+03 -0.160125E-06 0.100000E-04    0.994673E+00
  63    0.140451E-04    0.130981E+03 -0.107230E-06 0.100000E-04    0.992738E+00
  64    0.367382E-05    0.127670E+03 -0.287759E-07 0.100000E-04    0.987838E+00
  65    0.940034E-06    0.125831E+03 -0.747064E-08 0.100000E-04    0.993380E+00
  66   -0.155138E-04    0.124797E+03  0.124312E-06 0.100000E-04    0.993024E+00
  67    0.122731E-05    0.119437E+03 -0.102758E-07 0.100000E-04    0.995570E+00
  68   -0.434181E-05    0.117946E+03  0.368119E-07 0.100000E-04    0.991934E+00
  69   -0.231586E-06    0.116510E+03  0.198769E-08 0.100000E-04    0.850682E+00
  70    0.825940E-05    0.112409E+03 -0.734765E-07 0.100000E-04    0.992636E+00
  71   -0.411329E-06    0.109920E+03  0.374208E-08 0.100000E-04    0.948845E+00
  72   -0.198933E-04    0.105445E+03  0.188661E-06 0.100000E-04    0.990775E+00
  73    0.825753E-05    0.102838E+03 -0.802963E-07 0.100000E-04    0.989306E+00
  74   -0.220713E-04    0.100371E+03  0.219897E-06 0.100000E-04    0.993883E+00
  75    0.162570E-04    0.971704E+02 -0.167304E-06 0.100000E-04    0.990972E+00
  76   -0.187830E-04    0.950709E+02  0.197568E-06 0.100000E-04    0.993648E+00
  77   -0.156357E-05    0.911142E+02  0.171605E-07 0.100000E-04    0.956799E+00
  78   -0.353550E-04    0.908023E+02  0.389362E-06 0.100000E-04    0.993906E+00
  79    0.311450E-04    0.885330E+02 -0.351790E-06 0.100000E-04    0.997437E+00
  80   -0.905572E-05    0.845113E+02  0.107154E-06 0.100000E-04    0.992049E+00
  81    0.103318E-04    0.808845E+02 -0.127735E-06 0.100000E-04    0.992785E+00
  82   -0.151967E-04    0.792016E+02  0.191874E-06 0.100000E-04    0.997771E+00
  83    0.851340E-05    0.786413E+02 -0.108256E-06 0.100000E-04    0.999520E+00
  84    0.134404E-04    0.729345E+02 -0.184281E-06 0.100000E-04    0.989195E+00
  85   -0.240927E-04    0.714333E+02  0.337276E-06 0.100000E-04    0.992512E+00
  86    0.302216E-04    0.691105E+02 -0.437295E-06 0.100000E-04    0.995047E+00
  87    0.315531E-05    0.677758E+02 -0.465551E-07 0.100000E-04    0.971749E+00
  88   -0.804357E-06    0.634528E+02  0.126765E-07 0.100000E-04    0.916995E+00
  89   -0.274016E-04    0.620314E+02  0.441738E-06 0.100000E-04    0.993172E+00
  90   -0.130391E-04    0.596562E+02  0.218571E-06 0.100000E-04    0.989707E+00
  91    0.384672E-06    0.586726E+02 -0.655623E-08 0.100000E-04    0.944775E+00
  92   -0.315251E-04    0.558325E+02  0.564636E-06 0.100000E-04    0.993247E+00
  93   -0.349772E-04    0.535651E+02  0.652985E-06 0.100000E-04    0.995601E+00
  94   -0.186375E-04    0.522663E+02  0.356587E-06 0.100000E-04    0.989463E+00
  95    0.326225E-04    0.503013E+02 -0.648542E-06 0.100000E-04    0.996699E+00
  96   -0.931175E-05    0.479934E+02  0.194021E-06 0.100000E-04    0.999362E+00
  97    0.218939E-04    0.435060E+02 -0.503239E-06 0.100000E-04    0.992005E+00
  98    0.157168E-04    0.399043E+02 -0.393861E-06 0.100000E-04    0.993768E+00
  99   -0.365181E-04    0.372603E+02  0.980079E-06 0.100000E-04    0.983552E+00
 100   -0.314380E-04    0.362055E+02  0.868323E-06 0.100000E-04    0.998969E+00
 101   -0.995401E-04    0.349897E+02  0.284484E-05 0.100000E-04    0.995426E+00
 102   -0.436562E-04    0.292608E+02  0.149197E-05 0.100000E-04    0.988359E+00
 103   -0.311462E-04    0.289411E+02  0.107620E-05 0.100000E-04    0.999104E+00
 104   -0.409557E-04    0.287261E+02  0.142573E-05 0.100000E-04    0.994470E+00
 105    0.233403E-04    0.232788E+02 -0.100264E-05 0.100000E-04    0.991716E+00
 106   -0.193238E-05    0.219237E+02  0.881412E-07 0.100000E-04    0.875651E+00
 107    0.101461E-03    0.196087E+02 -0.517430E-05 0.100000E-04    0.993597E+00
 108   -0.816386E-04    0.167101E+02  0.488559E-05 0.100000E-04    0.996260E+00
 109    0.690296E-04    0.138237E+02 -0.499357E-05 0.100000E-04    0.997755E+00
 110    0.775719E-04    0.124952E+02 -0.620816E-05 0.100000E-04    0.983019E+00
 111    0.157538E-03    0.112090E+02 -0.100000E-04 0.100000E-04    0.936667E+00
 112    0.156278E-04    0.947397E+01 -0.164955E-05 0.100000E-04    0.968813E+00
 113   -0.555970E-02    0.760648E+01  0.131780E-04 0.131780E-04    0.148277E+00
 114    0.289712E+00    0.481162E+01  0.400000E-03 0.400000E-03    0.175246E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.5999409856E-01

 Beginning of optimization cycle  132.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3941765562
 potential> RMS force:                                               0.0273190160   |gradient|=.2916872714    
 Eigenvalues of the Hessian matrix:
   721.40496    671.15384    624.05360    603.82457    589.64868    564.73673 
   562.82103    478.65054    469.58156    463.02294    441.43585    431.38334 
   420.60832    406.03367    398.25673    388.51813    367.00557    363.62674 
   352.38397    342.28718    324.30604    322.32795    318.37833    317.12055 
   305.27838    287.40604    279.81376    271.32373    265.77180    262.38319 
   257.79723    253.44275    243.62634    239.08840    234.59431    228.58107 
   224.09833    212.69382    211.30225    209.49557    202.98934    198.42323 
   195.43717    191.61855    186.18754    177.70268    170.77887    168.06110 
   165.70784    160.48513    153.58207    151.02313    148.79700    142.69453 
   136.92394    134.85972    130.97966    127.66942    125.83388    124.80364 
   119.43770    117.94550    116.51391    112.40135    109.91062    105.44092 
   102.83891    100.36703     97.16805     95.07176     91.10812     90.80921 
    88.54461     84.51283     80.88459     79.20520     78.63921     72.93179 
    71.43639     69.10130     67.77858     63.45126     62.02387     59.65606 
    58.67565     55.83306     53.56217     52.26527     50.30103     47.99253 
    43.50151     39.90705     37.25376     36.20502     34.99704     29.25213 
    28.93943     28.72630     23.27400     21.92435     19.61020     16.71214 
    13.82260     12.49224     11.19785      9.47579      7.60674      4.81118 
overlap for current and previous eigenvector    109 is         0.9999975120
overlap for current and previous eigenvector    110 is        -0.9999951430
overlap for current and previous eigenvector    111 is        -0.9999923039
overlap for current and previous eigenvector    112 is         0.9999993553
overlap for current and previous eigenvector    113 is         0.9999991463
overlap for current and previous eigenvector    114 is        -0.9999994055
J1,K1,R1,R2,RAT=   7   7   -0.5417179410E-01     2.054006283        0.9458282059    
FOB,PFOB,DIAG,PSTEP=   -0.1678641858E-06   -0.1592373015E-06     721.4049647        0.2207504636E-09
J1,K1,R1,R2,RAT=   8   8   -0.2192777246E-01     2.021879751        0.9780722275    
FOB,PFOB,DIAG,PSTEP=   -0.1191240755E-05   -0.1165679388E-05     671.1538371        0.1736870615E-08
J1,K1,R1,R2,RAT=   9   9   -0.1183377250E-01     2.011770532        0.9881662275    
FOB,PFOB,DIAG,PSTEP=    0.7291270052E-06    0.7205993270E-06     624.0535993       -0.1154743942E-08
J1,K1,R1,R2,RAT=  10  10    0.2397775778E-02     1.997560308        0.9975603078    
FOB,PFOB,DIAG,PSTEP=    0.1440861606E-05    0.1444324846E-05     603.8245687       -0.2392011177E-08
J1,K1,R1,R2,RAT=  11  11    0.1534768073E-03     1.999853603        0.9998465232    
FOB,PFOB,DIAG,PSTEP=   -0.9890436964E-06   -0.9891955144E-06     589.6486756        0.1677595581E-08
J1,K1,R1,R2,RAT= 109 109   -0.2786214844E-02     2.002945757        0.9972137852    
FOB,PFOB,DIAG,PSTEP=    0.6922188871E-04    0.6902957283E-04     13.82260073       -0.4993565832E-05
J1,K1,R1,R2,RAT= 110 110     2.009612476       -0.9147149941E-02    0.9908528501    
FOB,PFOB,DIAG,PSTEP=   -0.7828127556E-04    0.7757187900E-04     12.49224406       -0.6208158815E-05
J1,K1,R1,R2,RAT= 111 111     2.885280563       -0.7157029441E-01    0.9284297056    
FOB,PFOB,DIAG,PSTEP=   -0.1655519151E-03    0.1575375783E-03     11.19785360       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.7246510556E-02     1.992369233        0.9923692333    
FOB,PFOB,DIAG,PSTEP=    0.1551451328E-04    0.1562778193E-04     9.475788499       -0.1649549802E-05
J1,K1,R1,R2,RAT= 113 113   -0.6991348845         111.6252282        0.3008651155    
FOB,PFOB,DIAG,PSTEP=   -0.5629782446E-02   -0.5559700102E-02     7.606744219        0.1317797958E-04
J1,K1,R1,R2,RAT= 114 114    -302.0801517        0.9982382503        0.1761749725E-02
FOB,PFOB,DIAG,PSTEP=   -0.2916327865        0.2897117059         4.811177506        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001      0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00001      0.00002      0.00001      0.00000      0.00000     -0.00002 
     0.00000     -0.00000     -0.00000      0.00001     -0.00000     -0.00002 
     0.00001     -0.00002      0.00002     -0.00002     -0.00000     -0.00004 
     0.00003     -0.00001     -0.00001      0.00002      0.00001      0.00001 
    -0.00002      0.00003      0.00000      0.00000      0.00003     -0.00001 
     0.00000     -0.00003      0.00004      0.00002      0.00003     -0.00001 
     0.00002      0.00002     -0.00004     -0.00003     -0.00010     -0.00004 
    -0.00003     -0.00004     -0.00002     -0.00000     -0.00010      0.00008 
     0.00007     -0.00008     -0.00017      0.00002     -0.00563     -0.29163 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4383709163
 Log product of positive Hessian eigenvalues =          520.3818077005
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8111775060
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000018
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=       -0.0000000026
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000036
 Unscaled step for mode   17=       -0.0000000034
 Unscaled step for mode   18=       -0.0000000082
 Unscaled step for mode   19=       -0.0000000181
 Unscaled step for mode   20=       -0.0000000205
 Unscaled step for mode   21=       -0.0000000130
 Unscaled step for mode   22=       -0.0000000008
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000263
 Unscaled step for mode   26=        0.0000000421
 Unscaled step for mode   27=        0.0000000230
 Unscaled step for mode   28=        0.0000000145
 Unscaled step for mode   29=        0.0000000249
 Unscaled step for mode   30=        0.0000000278
 Unscaled step for mode   31=        0.0000000089
 Unscaled step for mode   32=        0.0000000024
 Unscaled step for mode   33=       -0.0000000173
 Unscaled step for mode   34=       -0.0000000086
 Unscaled step for mode   35=       -0.0000000532
 Unscaled step for mode   36=       -0.0000000114
 Unscaled step for mode   37=        0.0000000249
 Unscaled step for mode   38=        0.0000000125
 Unscaled step for mode   39=        0.0000000426
 Unscaled step for mode   40=       -0.0000000243
 Unscaled step for mode   41=       -0.0000000304
 Unscaled step for mode   42=        0.0000000133
 Unscaled step for mode   43=       -0.0000000114
 Unscaled step for mode   44=        0.0000000186
 Unscaled step for mode   45=       -0.0000000175
 Unscaled step for mode   46=       -0.0000000324
 Unscaled step for mode   47=        0.0000000757
 Unscaled step for mode   48=        0.0000000027
 Unscaled step for mode   49=        0.0000000439
 Unscaled step for mode   50=       -0.0000000311
 Unscaled step for mode   51=        0.0000000322
 Unscaled step for mode   52=       -0.0000000018
 Unscaled step for mode   53=        0.0000000354
 Unscaled step for mode   54=        0.0000000209
 Unscaled step for mode   55=       -0.0000000711
 Unscaled step for mode   56=       -0.0000000260
 Unscaled step for mode   57=       -0.0000000135
 Unscaled step for mode   58=        0.0000000624
 Unscaled step for mode   59=       -0.0000000398
 Unscaled step for mode   60=        0.0000000704
 Unscaled step for mode   61=        0.0000000564
 Unscaled step for mode   62=       -0.0000001608
 Unscaled step for mode   63=       -0.0000001077
 Unscaled step for mode   64=       -0.0000000292
 Unscaled step for mode   65=       -0.0000000072
 Unscaled step for mode   66=        0.0000001250
 Unscaled step for mode   67=       -0.0000000105
 Unscaled step for mode   68=        0.0000000371
 Unscaled step for mode   69=        0.0000000021
 Unscaled step for mode   70=       -0.0000000744
 Unscaled step for mode   71=        0.0000000039
 Unscaled step for mode   72=        0.0000001898
 Unscaled step for mode   73=       -0.0000000813
 Unscaled step for mode   74=        0.0000002208
 Unscaled step for mode   75=       -0.0000001692
 Unscaled step for mode   76=        0.0000001989
 Unscaled step for mode   77=        0.0000000185
 Unscaled step for mode   78=        0.0000003925
 Unscaled step for mode   79=       -0.0000003522
 Unscaled step for mode   80=        0.0000001082
 Unscaled step for mode   81=        0.0000001285
 Unscaled step for mode   82=       -0.0000001918
 Unscaled step for mode   83=       -0.0000001090
 Unscaled step for mode   84=       -0.0000001855
 Unscaled step for mode   85=        0.0000003388
 Unscaled step for mode   86=       -0.0000004393
 Unscaled step for mode   87=       -0.0000000445
 Unscaled step for mode   88=       -0.0000000127
 Unscaled step for mode   89=       -0.0000004442
 Unscaled step for mode   90=        0.0000002193
 Unscaled step for mode   91=       -0.0000000062
 Unscaled step for mode   92=        0.0000005694
 Unscaled step for mode   93=       -0.0000006542
 Unscaled step for mode   94=       -0.0000003587
 Unscaled step for mode   95=       -0.0000006494
 Unscaled step for mode   96=        0.0000001952
 Unscaled step for mode   97=       -0.0000005055
 Unscaled step for mode   98=       -0.0000003962
 Unscaled step for mode   99=        0.0000009904
 Unscaled step for mode  100=        0.0000008675
 Unscaled step for mode  101=        0.0000028560
 Unscaled step for mode  102=        0.0000015008
 Unscaled step for mode  103=        0.0000010757
 Unscaled step for mode  104=        0.0000014266
 Unscaled step for mode  105=        0.0000010124
 Unscaled step for mode  106=        0.0000000761
 Unscaled step for mode  107=        0.0000051939
 Unscaled step for mode  108=       -0.0000048780
 Unscaled step for mode  109=       -0.0000050079
 Unscaled step for mode  110=        0.0000062664
 Unscaled step for mode  111=        0.0000147843
 Unscaled step for mode  112=       -0.0000016373
 Unscaled step for mode  113=        0.0007401037
 Unscaled step for mode  114=       -0.0603945820
 Largest modulus ratio of non-zero e/values=           149.9435354    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.362124E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.314419E-16    0.100760E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.278360E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.533427E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.130497E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.742678E-16    0.973566E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.167864E-06    0.721405E+03  0.232691E-09 0.100000E-04    0.945828E+00
   8   -0.119124E-05    0.671154E+03  0.177491E-08 0.100000E-04    0.978072E+00
   9    0.729127E-06    0.624054E+03 -0.116837E-08 0.100000E-04    0.988166E+00
  10    0.144086E-05    0.603825E+03 -0.238623E-08 0.100000E-04    0.997560E+00
  11   -0.989044E-06    0.589649E+03  0.167734E-08 0.100000E-04    0.999847E+00
  12    0.303355E-05    0.564737E+03 -0.537162E-08 0.100000E-04    0.995012E+00
  13    0.144836E-05    0.562821E+03 -0.257339E-08 0.100000E-04    0.979514E+00
  14   -0.566743E-05    0.478651E+03  0.118404E-07 0.100000E-04    0.999910E+00
  15    0.174091E-05    0.469582E+03 -0.370737E-08 0.100000E-04    0.993445E+00
  16    0.168309E-05    0.463023E+03 -0.363500E-08 0.100000E-04    0.993080E+00
  17    0.150571E-05    0.441436E+03 -0.341093E-08 0.100000E-04    0.996029E+00
  18    0.353260E-05    0.431383E+03 -0.818901E-08 0.100000E-04    0.994676E+00
  19    0.760983E-05    0.420608E+03 -0.180924E-07 0.100000E-04    0.994561E+00
  20    0.833301E-05    0.406034E+03 -0.205230E-07 0.100000E-04    0.998741E+00
  21    0.519519E-05    0.398257E+03 -0.130448E-07 0.100000E-04    0.995661E+00
  22    0.297323E-06    0.388518E+03 -0.765274E-09 0.100000E-04    0.930187E+00
  23   -0.180526E-05    0.367006E+03  0.491889E-08 0.100000E-04    0.995366E+00
  24    0.186751E-05    0.363627E+03 -0.513579E-08 0.100000E-04    0.998971E+00
  25   -0.927818E-05    0.352384E+03  0.263297E-07 0.100000E-04    0.993752E+00
  26   -0.144089E-04    0.342287E+03  0.420960E-07 0.100000E-04    0.993123E+00
  27   -0.746136E-05    0.324306E+03  0.230071E-07 0.100000E-04    0.993601E+00
  28   -0.467611E-05    0.322328E+03  0.145073E-07 0.100000E-04    0.991855E+00
  29   -0.792555E-05    0.318378E+03  0.248935E-07 0.100000E-04    0.997621E+00
  30   -0.880762E-05    0.317121E+03  0.277737E-07 0.100000E-04    0.979866E+00
  31   -0.272797E-05    0.305278E+03  0.893601E-08 0.100000E-04    0.983813E+00
  32   -0.690865E-06    0.287406E+03  0.240379E-08 0.100000E-04    0.977553E+00
  33    0.485178E-05    0.279814E+03 -0.173393E-07 0.100000E-04    0.994772E+00
  34    0.233061E-05    0.271324E+03 -0.858977E-08 0.100000E-04    0.995297E+00
  35    0.141399E-04    0.265772E+03 -0.532033E-07 0.100000E-04    0.993342E+00
  36    0.300407E-05    0.262383E+03 -0.114492E-07 0.100000E-04    0.987760E+00
  37   -0.640649E-05    0.257797E+03  0.248509E-07 0.100000E-04    0.991963E+00
  38   -0.317941E-05    0.253443E+03  0.125449E-07 0.100000E-04    0.993111E+00
  39   -0.103681E-04    0.243626E+03  0.425572E-07 0.100000E-04    0.994604E+00
  40    0.580428E-05    0.239088E+03 -0.242767E-07 0.100000E-04    0.986422E+00
  41    0.712309E-05    0.234594E+03 -0.303634E-07 0.100000E-04    0.987599E+00
  42   -0.303875E-05    0.228581E+03  0.132940E-07 0.100000E-04    0.989500E+00
  43    0.255586E-05    0.224098E+03 -0.114051E-07 0.100000E-04    0.985453E+00
  44   -0.396101E-05    0.212694E+03  0.186231E-07 0.100000E-04    0.974457E+00
  45    0.370662E-05    0.211302E+03 -0.175418E-07 0.100000E-04    0.999693E+00
  46    0.679067E-05    0.209496E+03 -0.324144E-07 0.100000E-04    0.987614E+00
  47   -0.153701E-04    0.202989E+03  0.757188E-07 0.100000E-04    0.991993E+00
  48   -0.526485E-06    0.198423E+03  0.265334E-08 0.100000E-04    0.966214E+00
  49   -0.857278E-05    0.195437E+03  0.438646E-07 0.100000E-04    0.990317E+00
  50    0.596257E-05    0.191619E+03 -0.311168E-07 0.100000E-04    0.997816E+00
  51   -0.599170E-05    0.186188E+03  0.321810E-07 0.100000E-04    0.990789E+00
  52    0.314159E-06    0.177703E+03 -0.176789E-08 0.100000E-04    0.978921E+00
  53   -0.605389E-05    0.170779E+03  0.354487E-07 0.100000E-04    0.993472E+00
  54   -0.351570E-05    0.168061E+03  0.209192E-07 0.100000E-04    0.985016E+00
  55    0.117837E-04    0.165708E+03 -0.711112E-07 0.100000E-04    0.993745E+00
  56    0.416956E-05    0.160485E+03 -0.259810E-07 0.100000E-04    0.997889E+00
  57    0.206616E-05    0.153582E+03 -0.134531E-07 0.100000E-04    0.987873E+00
  58   -0.942863E-05    0.151023E+03  0.624317E-07 0.100000E-04    0.994007E+00
  59    0.592901E-05    0.148797E+03 -0.398463E-07 0.100000E-04    0.992203E+00
  60   -0.100456E-04    0.142695E+03  0.703993E-07 0.100000E-04    0.990914E+00
  61   -0.772047E-05    0.136924E+03  0.563851E-07 0.100000E-04    0.993771E+00
  62    0.216919E-04    0.134860E+03 -0.160848E-06 0.100000E-04    0.995447E+00
  63    0.141004E-04    0.130980E+03 -0.107653E-06 0.100000E-04    0.996060E+00
  64    0.372924E-05    0.127669E+03 -0.292101E-07 0.100000E-04    0.984915E+00
  65    0.908574E-06    0.125834E+03 -0.722042E-08 0.100000E-04    0.966480E+00
  66   -0.155945E-04    0.124804E+03  0.124952E-06 0.100000E-04    0.994800E+00
  67    0.124849E-05    0.119438E+03 -0.104531E-07 0.100000E-04    0.982739E+00
  68   -0.437086E-05    0.117946E+03  0.370583E-07 0.100000E-04    0.993308E+00
  69   -0.247503E-06    0.116514E+03  0.212423E-08 0.100000E-04    0.931275E+00
  70    0.835843E-05    0.112401E+03 -0.743624E-07 0.100000E-04    0.988009E+00
  71   -0.423191E-06    0.109911E+03  0.385032E-08 0.100000E-04    0.971160E+00
  72   -0.200135E-04    0.105441E+03  0.189808E-06 0.100000E-04    0.993957E+00
  73    0.835579E-05    0.102839E+03 -0.812512E-07 0.100000E-04    0.988101E+00
  74   -0.221623E-04    0.100367E+03  0.220812E-06 0.100000E-04    0.995879E+00
  75    0.164428E-04    0.971681E+02 -0.169220E-06 0.100000E-04    0.988569E+00
  76   -0.189123E-04    0.950718E+02  0.198926E-06 0.100000E-04    0.993119E+00
  77   -0.168401E-05    0.911081E+02  0.184837E-07 0.100000E-04    0.922962E+00
  78   -0.356466E-04    0.908092E+02  0.392544E-06 0.100000E-04    0.991753E+00
  79    0.311856E-04    0.885446E+02 -0.352202E-06 0.100000E-04    0.998698E+00
  80   -0.914156E-05    0.845128E+02  0.108168E-06 0.100000E-04    0.990521E+00
  81   -0.103908E-04    0.808846E+02  0.128464E-06 0.100000E-04    0.994290E+00
  82    0.151938E-04    0.792052E+02 -0.191828E-06 0.100000E-04    0.999716E+00
  83    0.857054E-05    0.786392E+02 -0.108986E-06 0.100000E-04    0.993287E+00
  84    0.135294E-04    0.729318E+02 -0.185508E-06 0.100000E-04    0.993377E+00
  85   -0.241995E-04    0.714364E+02  0.338756E-06 0.100000E-04    0.995567E+00
  86    0.303578E-04    0.691013E+02 -0.439324E-06 0.100000E-04    0.995493E+00
  87    0.301359E-05    0.677786E+02 -0.444623E-07 0.100000E-04    0.955006E+00
  88    0.805698E-06    0.634513E+02 -0.126979E-07 0.100000E-04    0.998332E+00
  89    0.275524E-04    0.620239E+02 -0.444222E-06 0.100000E-04    0.994499E+00
  90   -0.130807E-04    0.596561E+02  0.219269E-06 0.100000E-04    0.996811E+00
  91    0.366120E-06    0.586756E+02 -0.623972E-08 0.100000E-04    0.951672E+00
  92   -0.317922E-04    0.558331E+02  0.569415E-06 0.100000E-04    0.991527E+00
  93    0.350388E-04    0.535622E+02 -0.654172E-06 0.100000E-04    0.998237E+00
  94    0.187487E-04    0.522653E+02 -0.358721E-06 0.100000E-04    0.994033E+00
  95    0.326662E-04    0.503010E+02 -0.649415E-06 0.100000E-04    0.998659E+00
  96   -0.936786E-05    0.479925E+02  0.195194E-06 0.100000E-04    0.993974E+00
  97    0.219919E-04    0.435015E+02 -0.505543E-06 0.100000E-04    0.995526E+00
  98    0.158121E-04    0.399070E+02 -0.396222E-06 0.100000E-04    0.993937E+00
  99   -0.368952E-04    0.372538E+02  0.990376E-06 0.100000E-04    0.989671E+00
 100   -0.314075E-04    0.362050E+02  0.867490E-06 0.100000E-04    0.999028E+00
 101   -0.999526E-04    0.349970E+02  0.285603E-05 0.100000E-04    0.995856E+00
 102   -0.439007E-04    0.292521E+02  0.150077E-05 0.100000E-04    0.994397E+00
 103   -0.311302E-04    0.289394E+02  0.107570E-05 0.100000E-04    0.999485E+00
 104   -0.409797E-04    0.287263E+02  0.142656E-05 0.100000E-04    0.999415E+00
 105   -0.235637E-04    0.232740E+02  0.101245E-05 0.100000E-04    0.990429E+00
 106   -0.166946E-05    0.219244E+02  0.761463E-07 0.100000E-04    0.863883E+00
 107   -0.101853E-03    0.196102E+02  0.519389E-05 0.100000E-04    0.996136E+00
 108    0.815216E-04    0.167121E+02 -0.487798E-05 0.100000E-04    0.998319E+00
 109    0.692219E-04    0.138226E+02 -0.500788E-05 0.100000E-04    0.997214E+00
 110   -0.782813E-04    0.124922E+02  0.626639E-05 0.100000E-04    0.990853E+00
 111   -0.165552E-03    0.111979E+02  0.100000E-04 0.100000E-04    0.928430E+00
 112    0.155145E-04    0.947579E+01 -0.163728E-05 0.100000E-04    0.992369E+00
 113   -0.562978E-02    0.760674E+01  0.118721E-04 0.118721E-04    0.300865E+00
 114   -0.291633E+00    0.481118E+01 -0.400000E-03 0.400000E-03    0.176175E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6039458198E-01

 Beginning of optimization cycle  133.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3940595869
 potential> RMS force:                                               0.0274990338   |gradient|=.2936093357    
 Eigenvalues of the Hessian matrix:
   721.46474    671.17000    624.07331    603.83697    589.64663    564.75728 
   562.85949    478.66788    469.55891    463.01211    441.43369    431.37330 
   420.61608    406.04453    398.25292    388.52203    367.00768    363.61647 
   352.37490    342.24806    324.31191    322.31196    318.37087    317.12813 
   305.27552    287.40894    279.80944    271.31754    265.77251    262.39203 
   257.80160    253.44455    243.61424    239.07595    234.60579    228.58345 
   224.07948    212.69314    211.30735    209.48361    202.99209    198.41876 
   195.43947    191.61824    186.18024    177.68804    170.78204    168.05852 
   165.70653    160.48089    153.57869    151.02215    148.80316    142.69834 
   136.92438    134.86474    130.97854    127.66892    125.83725    124.81032 
   119.43838    117.94540    116.51749    112.39395    109.90137    105.43710 
   102.83963    100.36272     97.16567     95.07262     91.10207     90.81613 
    88.55622     84.51439     80.88469     79.20878     78.63711     72.92910 
    71.43958     69.09212     67.78137     63.44970     62.01630     59.65593 
    58.67867     55.83363     53.55928     52.26426     50.30077     47.99168 
    43.49701     39.90977     37.24725     36.20461     35.00447     29.24356 
    28.93777     28.72653     23.26923     21.92499     19.61182     16.71419 
    13.82152     12.48936     11.18668      9.47760      7.60701      4.81071 
overlap for current and previous eigenvector    109 is        -0.9999975501
overlap for current and previous eigenvector    110 is         0.9999952427
overlap for current and previous eigenvector    111 is         0.9999924230
overlap for current and previous eigenvector    112 is         0.9999993440
overlap for current and previous eigenvector    113 is         0.9999991390
overlap for current and previous eigenvector    114 is         0.9999994083
J1,K1,R1,R2,RAT=   7   7   -0.7288382805E-01     2.072718115        0.9271161720    
FOB,PFOB,DIAG,PSTEP=   -0.1800997840E-06   -0.1678641858E-06     721.4647428        0.2326906439E-09
J1,K1,R1,R2,RAT=   8   8   -0.1678410649E-02     2.001630235        0.9983215894    
FOB,PFOB,DIAG,PSTEP=   -0.1193240194E-05   -0.1191240755E-05     671.1700042        0.1774914615E-08
J1,K1,R1,R2,RAT=   9   9    0.7677917242E-02     1.992258922        0.9922589221    
FOB,PFOB,DIAG,PSTEP=    0.7235286515E-06    0.7291270052E-06     624.0733078       -0.1168372406E-08
J1,K1,R1,R2,RAT=  10  10   -0.7546287993E-02     2.007505229        0.9924537120    
FOB,PFOB,DIAG,PSTEP=    0.1451734986E-05    0.1440861606E-05     603.8369650       -0.2386225538E-08
J1,K1,R1,R2,RAT=  11  11   -0.3661487298E-02     2.003668428        0.9963385127    
FOB,PFOB,DIAG,PSTEP=   -0.9926650547E-06   -0.9890436964E-06     589.6466292        0.1677344048E-08
J1,K1,R1,R2,RAT= 109 109     2.002295886       -0.2139164207E-02    0.9978608358    
FOB,PFOB,DIAG,PSTEP=   -0.6936995409E-04    0.6922188871E-04     13.82151767       -0.5007877321E-05
J1,K1,R1,R2,RAT= 110 110   -0.1658966217E-01     2.017051439        0.9834103378    
FOB,PFOB,DIAG,PSTEP=   -0.7957963570E-04   -0.7828127556E-04     12.48936041        0.6266390184E-05
J1,K1,R1,R2,RAT= 111 111   -0.7370203796E-01     3.033505272        0.9262979620    
FOB,PFOB,DIAG,PSTEP=   -0.1737967291E-03   -0.1655519151E-03     11.18668385        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.3218296527E-01     1.967434876        0.9674348759    
FOB,PFOB,DIAG,PSTEP=    0.1501511482E-04    0.1551451328E-04     9.477599474       -0.1637279397E-05
J1,K1,R1,R2,RAT= 113 113   -0.8914062397         125.5670740        0.1085937603    
FOB,PFOB,DIAG,PSTEP=   -0.5710286096E-02   -0.5629782446E-02     7.607011166        0.1187205368E-04
J1,K1,R1,R2,RAT= 114 114    0.9982212760        -304.1062322        0.1778723971E-02
FOB,PFOB,DIAG,PSTEP=   -0.2935536467       -0.2916327865         4.810707339       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001      0.00000     -0.00000      0.00001     -0.00001      0.00001 
    -0.00001      0.00002      0.00001      0.00000      0.00000     -0.00002 
    -0.00000      0.00000      0.00000     -0.00001      0.00000      0.00002 
    -0.00001     -0.00002      0.00002     -0.00002      0.00000      0.00004 
     0.00003     -0.00001      0.00001      0.00002     -0.00001      0.00001 
     0.00002     -0.00003      0.00000     -0.00000     -0.00003      0.00001 
    -0.00000     -0.00003      0.00004      0.00002      0.00003      0.00001 
     0.00002      0.00002     -0.00004      0.00003     -0.00010      0.00004 
     0.00003      0.00004      0.00002      0.00000     -0.00010     -0.00008 
    -0.00007     -0.00008     -0.00017      0.00002     -0.00571     -0.29355 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4383932948
 Log product of positive Hessian eigenvalues =          520.3799226330
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8107073385
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000018
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=       -0.0000000026
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000037
 Unscaled step for mode   17=       -0.0000000035
 Unscaled step for mode   18=       -0.0000000082
 Unscaled step for mode   19=       -0.0000000182
 Unscaled step for mode   20=       -0.0000000206
 Unscaled step for mode   21=       -0.0000000131
 Unscaled step for mode   22=       -0.0000000008
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000265
 Unscaled step for mode   26=        0.0000000424
 Unscaled step for mode   27=        0.0000000231
 Unscaled step for mode   28=        0.0000000144
 Unscaled step for mode   29=        0.0000000247
 Unscaled step for mode   30=        0.0000000283
 Unscaled step for mode   31=        0.0000000090
 Unscaled step for mode   32=        0.0000000025
 Unscaled step for mode   33=       -0.0000000175
 Unscaled step for mode   34=       -0.0000000087
 Unscaled step for mode   35=       -0.0000000535
 Unscaled step for mode   36=       -0.0000000116
 Unscaled step for mode   37=        0.0000000250
 Unscaled step for mode   38=        0.0000000126
 Unscaled step for mode   39=        0.0000000428
 Unscaled step for mode   40=       -0.0000000245
 Unscaled step for mode   41=       -0.0000000307
 Unscaled step for mode   42=        0.0000000134
 Unscaled step for mode   43=       -0.0000000115
 Unscaled step for mode   44=        0.0000000188
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000327
 Unscaled step for mode   47=        0.0000000761
 Unscaled step for mode   48=        0.0000000026
 Unscaled step for mode   49=        0.0000000442
 Unscaled step for mode   50=       -0.0000000314
 Unscaled step for mode   51=        0.0000000323
 Unscaled step for mode   52=       -0.0000000018
 Unscaled step for mode   53=        0.0000000356
 Unscaled step for mode   54=        0.0000000211
 Unscaled step for mode   55=       -0.0000000715
 Unscaled step for mode   56=       -0.0000000262
 Unscaled step for mode   57=        0.0000000135
 Unscaled step for mode   58=       -0.0000000629
 Unscaled step for mode   59=        0.0000000399
 Unscaled step for mode   60=       -0.0000000707
 Unscaled step for mode   61=        0.0000000569
 Unscaled step for mode   62=       -0.0000001617
 Unscaled step for mode   63=       -0.0000001084
 Unscaled step for mode   64=       -0.0000000296
 Unscaled step for mode   65=       -0.0000000072
 Unscaled step for mode   66=        0.0000001258
 Unscaled step for mode   67=        0.0000000104
 Unscaled step for mode   68=       -0.0000000374
 Unscaled step for mode   69=       -0.0000000024
 Unscaled step for mode   70=        0.0000000749
 Unscaled step for mode   71=       -0.0000000040
 Unscaled step for mode   72=       -0.0000001915
 Unscaled step for mode   73=        0.0000000821
 Unscaled step for mode   74=        0.0000002221
 Unscaled step for mode   75=       -0.0000001707
 Unscaled step for mode   76=        0.0000002002
 Unscaled step for mode   77=       -0.0000000194
 Unscaled step for mode   78=       -0.0000003949
 Unscaled step for mode   79=       -0.0000003530
 Unscaled step for mode   80=        0.0000001090
 Unscaled step for mode   81=       -0.0000001294
 Unscaled step for mode   82=       -0.0000001922
 Unscaled step for mode   83=        0.0000001090
 Unscaled step for mode   84=       -0.0000001875
 Unscaled step for mode   85=       -0.0000003412
 Unscaled step for mode   86=        0.0000004415
 Unscaled step for mode   87=       -0.0000000430
 Unscaled step for mode   88=        0.0000000137
 Unscaled step for mode   89=        0.0000004473
 Unscaled step for mode   90=       -0.0000002215
 Unscaled step for mode   91=        0.0000000059
 Unscaled step for mode   92=        0.0000005732
 Unscaled step for mode   93=       -0.0000006570
 Unscaled step for mode   94=       -0.0000003624
 Unscaled step for mode   95=       -0.0000006515
 Unscaled step for mode   96=       -0.0000001953
 Unscaled step for mode   97=       -0.0000005096
 Unscaled step for mode   98=       -0.0000003987
 Unscaled step for mode   99=        0.0000010067
 Unscaled step for mode  100=       -0.0000008680
 Unscaled step for mode  101=        0.0000028682
 Unscaled step for mode  102=       -0.0000015189
 Unscaled step for mode  103=       -0.0000010758
 Unscaled step for mode  104=       -0.0000014343
 Unscaled step for mode  105=       -0.0000010210
 Unscaled step for mode  106=       -0.0000000859
 Unscaled step for mode  107=        0.0000052259
 Unscaled step for mode  108=        0.0000048594
 Unscaled step for mode  109=        0.0000050190
 Unscaled step for mode  110=        0.0000063718
 Unscaled step for mode  111=        0.0000155360
 Unscaled step for mode  112=       -0.0000015843
 Unscaled step for mode  113=        0.0007506605
 Unscaled step for mode  114=       -0.0607953529
 Largest modulus ratio of non-zero e/values=           149.9706160    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.149620E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.528006E-16    0.100760E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.104300E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.567282E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.619816E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.359914E-15    0.973568E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.180100E-06    0.721465E+03  0.249631E-09 0.100000E-04    0.927116E+00
   8   -0.119324E-05    0.671170E+03  0.177785E-08 0.100000E-04    0.998322E+00
   9    0.723529E-06    0.624073E+03 -0.115936E-08 0.100000E-04    0.992259E+00
  10    0.145173E-05    0.603837E+03 -0.240418E-08 0.100000E-04    0.992454E+00
  11   -0.992665E-06    0.589647E+03  0.168349E-08 0.100000E-04    0.996339E+00
  12    0.303684E-05    0.564757E+03 -0.537724E-08 0.100000E-04    0.998917E+00
  13    0.143955E-05    0.562859E+03 -0.255756E-08 0.100000E-04    0.993781E+00
  14   -0.567543E-05    0.478668E+03  0.118567E-07 0.100000E-04    0.998588E+00
  15    0.173292E-05    0.469559E+03 -0.369053E-08 0.100000E-04    0.995409E+00
  16    0.170704E-05    0.463012E+03 -0.368681E-08 0.100000E-04    0.985770E+00
  17    0.153225E-05    0.441434E+03 -0.347108E-08 0.100000E-04    0.982370E+00
  18    0.354214E-05    0.431373E+03 -0.821130E-08 0.100000E-04    0.997302E+00
  19    0.765846E-05    0.420616E+03 -0.182077E-07 0.100000E-04    0.993609E+00
  20    0.836007E-05    0.406045E+03 -0.205890E-07 0.100000E-04    0.996753E+00
  21    0.522585E-05    0.398253E+03 -0.131219E-07 0.100000E-04    0.994099E+00
  22    0.322894E-06    0.388522E+03 -0.831084E-09 0.100000E-04    0.913995E+00
  23   -0.180250E-05    0.367008E+03  0.491133E-08 0.100000E-04    0.998458E+00
  24    0.186392E-05    0.363616E+03 -0.512606E-08 0.100000E-04    0.998077E+00
  25   -0.933175E-05    0.352375E+03  0.264825E-07 0.100000E-04    0.994225E+00
  26   -0.145106E-04    0.342248E+03  0.423978E-07 0.100000E-04    0.992944E+00
  27   -0.749825E-05    0.324312E+03  0.231205E-07 0.100000E-04    0.995055E+00
  28   -0.462969E-05    0.322312E+03  0.143640E-07 0.100000E-04    0.990071E+00
  29   -0.786843E-05    0.318371E+03  0.247147E-07 0.100000E-04    0.992793E+00
  30   -0.898183E-05    0.317128E+03  0.283224E-07 0.100000E-04    0.980220E+00
  31   -0.274996E-05    0.305276E+03  0.900812E-08 0.100000E-04    0.991940E+00
  32   -0.713608E-06    0.287409E+03  0.248290E-08 0.100000E-04    0.967080E+00
  33    0.488916E-05    0.279809E+03 -0.174732E-07 0.100000E-04    0.992296E+00
  34    0.236270E-05    0.271318E+03 -0.870823E-08 0.100000E-04    0.986233E+00
  35    0.142090E-04    0.265773E+03 -0.534630E-07 0.100000E-04    0.995115E+00
  36    0.304910E-05    0.262392E+03 -0.116204E-07 0.100000E-04    0.985009E+00
  37   -0.645224E-05    0.257802E+03  0.250279E-07 0.100000E-04    0.992859E+00
  38   -0.318346E-05    0.253445E+03  0.125608E-07 0.100000E-04    0.998728E+00
  39   -0.104345E-04    0.243614E+03  0.428319E-07 0.100000E-04    0.993594E+00
  40    0.586657E-05    0.239076E+03 -0.245385E-07 0.100000E-04    0.989268E+00
  41    0.721148E-05    0.234606E+03 -0.307387E-07 0.100000E-04    0.987591E+00
  42   -0.306442E-05    0.228583E+03  0.134061E-07 0.100000E-04    0.991553E+00
  43    0.257441E-05    0.224079E+03 -0.114888E-07 0.100000E-04    0.992741E+00
  44   -0.399992E-05    0.212693E+03  0.188061E-07 0.100000E-04    0.990178E+00
  45    0.371690E-05    0.211307E+03 -0.175900E-07 0.100000E-04    0.997226E+00
  46    0.684001E-05    0.209484E+03 -0.326518E-07 0.100000E-04    0.992733E+00
  47   -0.154566E-04    0.202992E+03  0.761438E-07 0.100000E-04    0.994373E+00
  48   -0.510040E-06    0.198419E+03  0.257052E-08 0.100000E-04    0.968764E+00
  49   -0.863194E-05    0.195439E+03  0.441668E-07 0.100000E-04    0.993098E+00
  50    0.601822E-05    0.191618E+03 -0.314073E-07 0.100000E-04    0.990666E+00
  51   -0.602081E-05    0.186180E+03  0.323386E-07 0.100000E-04    0.995141E+00
  52    0.311744E-06    0.177688E+03 -0.175445E-08 0.100000E-04    0.992312E+00
  53   -0.607708E-05    0.170782E+03  0.355838E-07 0.100000E-04    0.996169E+00
  54   -0.354793E-05    0.168059E+03  0.211112E-07 0.100000E-04    0.990834E+00
  55    0.118414E-04    0.165707E+03 -0.714603E-07 0.100000E-04    0.995099E+00
  56    0.420073E-05    0.160481E+03 -0.261759E-07 0.100000E-04    0.992525E+00
  57   -0.207931E-05    0.153579E+03  0.135390E-07 0.100000E-04    0.993635E+00
  58    0.949987E-05    0.151022E+03 -0.629038E-07 0.100000E-04    0.992444E+00
  59   -0.593619E-05    0.148803E+03  0.398929E-07 0.100000E-04    0.998789E+00
  60    0.100852E-04    0.142698E+03 -0.706750E-07 0.100000E-04    0.996057E+00
  61   -0.779406E-05    0.136924E+03  0.569224E-07 0.100000E-04    0.990468E+00
  62    0.218058E-04    0.134865E+03 -0.161686E-06 0.100000E-04    0.994749E+00
  63    0.142014E-04    0.130979E+03 -0.108425E-06 0.100000E-04    0.992836E+00
  64    0.377460E-05    0.127669E+03 -0.295655E-07 0.100000E-04    0.987837E+00
  65    0.901951E-06    0.125837E+03 -0.716760E-08 0.100000E-04    0.992658E+00
  66   -0.157018E-04    0.124810E+03  0.125805E-06 0.100000E-04    0.993117E+00
  67   -0.124311E-05    0.119438E+03  0.104080E-07 0.100000E-04    0.995679E+00
  68    0.440572E-05    0.117945E+03 -0.373539E-07 0.100000E-04    0.992024E+00
  69    0.277932E-06    0.116517E+03 -0.238533E-08 0.100000E-04    0.877057E+00
  70   -0.841911E-05    0.112394E+03  0.749071E-07 0.100000E-04    0.992740E+00
  71    0.443472E-06    0.109901E+03 -0.403518E-08 0.100000E-04    0.952070E+00
  72    0.201960E-04    0.105437E+03 -0.191545E-06 0.100000E-04    0.990885E+00
  73   -0.844388E-05    0.102840E+03  0.821073E-07 0.100000E-04    0.989457E+00
  74   -0.222953E-04    0.100363E+03  0.222147E-06 0.100000E-04    0.993997E+00
  75    0.165907E-04    0.971657E+02 -0.170747E-06 0.100000E-04    0.991005E+00
  76   -0.190304E-04    0.950726E+02  0.200167E-06 0.100000E-04    0.993751E+00
  77    0.176710E-05    0.911021E+02 -0.193969E-07 0.100000E-04    0.950656E+00
  78    0.358608E-04    0.908161E+02 -0.394872E-06 0.100000E-04    0.993991E+00
  79    0.312605E-04    0.885562E+02 -0.353002E-06 0.100000E-04    0.997599E+00
  80   -0.921328E-05    0.845144E+02  0.109014E-06 0.100000E-04    0.992155E+00
  81    0.104645E-04    0.808847E+02 -0.129375E-06 0.100000E-04    0.992909E+00
  82    0.152248E-04    0.792088E+02 -0.192211E-06 0.100000E-04    0.997962E+00
  83   -0.856815E-05    0.786371E+02  0.108958E-06 0.100000E-04    0.999721E+00
  84    0.136739E-04    0.729291E+02 -0.187496E-06 0.100000E-04    0.989323E+00
  85    0.243786E-04    0.714396E+02 -0.341248E-06 0.100000E-04    0.992598E+00
  86   -0.305047E-04    0.690921E+02  0.441507E-06 0.100000E-04    0.995163E+00
  87    0.291579E-05    0.677814E+02 -0.430176E-07 0.100000E-04    0.967467E+00
  88   -0.866281E-06    0.634497E+02  0.136530E-07 0.100000E-04    0.924805E+00
  89   -0.277382E-04    0.620163E+02  0.447273E-06 0.100000E-04    0.993253E+00
  90    0.132135E-04    0.596559E+02 -0.221496E-06 0.100000E-04    0.989843E+00
  91   -0.343478E-06    0.586787E+02  0.585354E-08 0.100000E-04    0.938058E+00
  92   -0.320035E-04    0.558336E+02  0.573195E-06 0.100000E-04    0.993352E+00
  93    0.351888E-04    0.535593E+02 -0.657006E-06 0.100000E-04    0.995721E+00
  94    0.189429E-04    0.522643E+02 -0.362445E-06 0.100000E-04    0.989638E+00
  95    0.327704E-04    0.503008E+02 -0.651489E-06 0.100000E-04    0.996811E+00
  96    0.937333E-05    0.479917E+02 -0.195311E-06 0.100000E-04    0.999416E+00
  97    0.221660E-04    0.434970E+02 -0.509598E-06 0.100000E-04    0.992082E+00
  98    0.159102E-04    0.399098E+02 -0.398654E-06 0.100000E-04    0.993795E+00
  99   -0.374960E-04    0.372473E+02  0.100668E-05 0.100000E-04    0.983715E+00
 100    0.314252E-04    0.362046E+02 -0.867990E-06 0.100000E-04    0.999434E+00
 101   -0.100399E-03    0.350045E+02  0.286817E-05 0.100000E-04    0.995538E+00
 102    0.444179E-04    0.292436E+02 -0.151889E-05 0.100000E-04    0.988216E+00
 103    0.311319E-04    0.289378E+02 -0.107582E-05 0.100000E-04    0.999944E+00
 104    0.412017E-04    0.287265E+02 -0.143427E-05 0.100000E-04    0.994581E+00
 105    0.237574E-04    0.232692E+02 -0.102098E-05 0.100000E-04    0.991777E+00
 106    0.188304E-05    0.219250E+02 -0.858857E-07 0.100000E-04    0.872068E+00
 107   -0.102488E-03    0.196118E+02  0.522585E-05 0.100000E-04    0.993763E+00
 108   -0.812209E-04    0.167142E+02  0.485940E-05 0.100000E-04    0.996066E+00
 109   -0.693700E-04    0.138215E+02  0.501898E-05 0.100000E-04    0.997861E+00
 110   -0.795796E-04    0.124894E+02  0.637179E-05 0.100000E-04    0.983410E+00
 111   -0.173797E-03    0.111867E+02  0.100000E-04 0.100000E-04    0.926298E+00
 112    0.150151E-04    0.947760E+01 -0.158427E-05 0.100000E-04    0.967435E+00
 113   -0.571029E-02    0.760701E+01  0.129405E-04 0.129405E-04    0.108594E+00
 114   -0.293554E+00    0.481071E+01 -0.400000E-03 0.400000E-03    0.177872E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6079535291E-01

 Beginning of optimization cycle  134.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3939418563
 potential> RMS force:                                               0.0276790167   |gradient|=.2955310270    
 Eigenvalues of the Hessian matrix:
   721.52448    671.18604    624.09289    603.84936    589.64441    564.77788 
   562.89795    478.68524    469.53624    463.00133    441.43157    431.36334 
   420.62388    406.05542    398.24912    388.52592    367.00986    363.60619 
   352.36593    342.20904    324.31782    322.29618    318.36372    317.13515 
   305.27265    287.41189    279.80512    271.31142    265.77330    262.40095 
   257.80613    253.44638    243.60224    239.06352    234.61732    228.58584 
   224.06064    212.69259    211.31251    209.47159    202.99487    198.41434 
   195.44174    191.61794    186.17290    177.67340    170.78524    168.05593 
   165.70522    160.47659    153.57539    151.02117    148.80923    142.70211 
   136.92482    134.86980    130.97738    127.66844    125.84060    124.81697 
   119.43907    117.94530    116.52105    112.38653    109.89204    105.43326 
   102.84036    100.35842     97.16322     95.07346     91.09604     90.82310 
    88.56784     84.51596     80.88480     79.21237     78.63500     72.92640 
    71.44273     69.08292     67.78408     63.44819     62.00864     59.65580 
    58.68166     55.83419     53.55635     52.26326     50.30049     47.99080 
    43.49251     39.91248     37.24080     36.20404     35.01188     29.23502 
    28.93608     28.72675     23.26450     21.92563     19.61346     16.71621 
    13.82045     12.48651     11.17545      9.47941      7.60725      4.81020 
overlap for current and previous eigenvector    109 is        -0.9999975799
overlap for current and previous eigenvector    110 is        -0.9999953438
overlap for current and previous eigenvector    111 is         0.9999925252
overlap for current and previous eigenvector    112 is        -0.9999993298
overlap for current and previous eigenvector    113 is        -0.9999991343
overlap for current and previous eigenvector    114 is         0.9999994121
J1,K1,R1,R2,RAT=   7   7   -0.4942317109E-01     2.049257580        0.9505768289    
FOB,PFOB,DIAG,PSTEP=   -0.1890016235E-06   -0.1800997840E-06     721.5244818        0.2496307489E-09
J1,K1,R1,R2,RAT=   8   8   -0.2137019913E-01     2.021322413        0.9786298009    
FOB,PFOB,DIAG,PSTEP=   -0.1218740584E-05   -0.1193240194E-05     671.1860409        0.1777850897E-08
J1,K1,R1,R2,RAT=   9   9   -0.1147389863E-01     2.011411145        0.9885261014    
FOB,PFOB,DIAG,PSTEP=    0.7318306064E-06    0.7235286515E-06     624.0928898       -0.1159364842E-08
J1,K1,R1,R2,RAT=  10  10    0.2402898047E-02     1.997556057        0.9975560575    
FOB,PFOB,DIAG,PSTEP=    0.1448246543E-05    0.1451734986E-05     603.8493574       -0.2404183696E-08
J1,K1,R1,R2,RAT=  11  11    0.1277368853E-03     1.999879799        0.9998722631    
FOB,PFOB,DIAG,PSTEP=   -0.9925382553E-06   -0.9926650547E-06     589.6444075        0.1683491443E-08
J1,K1,R1,R2,RAT= 109 109     2.002834021       -0.2678796171E-02    0.9973212038    
FOB,PFOB,DIAG,PSTEP=    0.6955576764E-04   -0.6936995409E-04     13.82044503        0.5018982413E-05
J1,K1,R1,R2,RAT= 110 110     2.009403292       -0.8947323909E-02    0.9910526761    
FOB,PFOB,DIAG,PSTEP=    0.8029149818E-04   -0.7957963570E-04     12.48651369        0.6371794316E-05
J1,K1,R1,R2,RAT= 111 111   -0.8189060129E-01     3.192220931        0.9181093987    
FOB,PFOB,DIAG,PSTEP=   -0.1829483736E-03   -0.1737967291E-03     11.17545152        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.992042717        0.7574890930E-02    0.9920427169    
FOB,PFOB,DIAG,PSTEP=   -0.1490135521E-04    0.1501511482E-04     9.479411900       -0.1584274041E-05
J1,K1,R1,R2,RAT= 113 113     116.7487688       -0.7353983697        0.2646016303    
FOB,PFOB,DIAG,PSTEP=    0.5782680081E-02   -0.5710286096E-02     7.607246160        0.1294053851E-04
J1,K1,R1,R2,RAT= 114 114    0.9982114195        -306.1347531        0.1788580463E-02
FOB,PFOB,DIAG,PSTEP=   -0.2954742859       -0.2935536467         4.810201444       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000      0.00000     -0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00001      0.00000      0.00000     -0.00002 
     0.00000     -0.00000     -0.00000      0.00001     -0.00000     -0.00002 
     0.00001     -0.00002      0.00002     -0.00002      0.00000      0.00004 
     0.00003     -0.00001      0.00001      0.00002     -0.00001      0.00001 
    -0.00002      0.00003      0.00000     -0.00000     -0.00003     -0.00001 
     0.00000     -0.00003      0.00004      0.00002      0.00003     -0.00001 
     0.00002     -0.00002      0.00004     -0.00003     -0.00010      0.00004 
    -0.00003      0.00004      0.00002     -0.00000      0.00010     -0.00008 
     0.00007      0.00008     -0.00018     -0.00001      0.00578     -0.29547 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384175366
 Log product of positive Hessian eigenvalues =          520.3780156451
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8102014439
 Unscaled step for mode    7=        0.0000000003
 Unscaled step for mode    8=        0.0000000018
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=       -0.0000000025
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000037
 Unscaled step for mode   17=       -0.0000000035
 Unscaled step for mode   18=       -0.0000000083
 Unscaled step for mode   19=       -0.0000000183
 Unscaled step for mode   20=       -0.0000000206
 Unscaled step for mode   21=       -0.0000000132
 Unscaled step for mode   22=       -0.0000000009
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000266
 Unscaled step for mode   26=        0.0000000427
 Unscaled step for mode   27=        0.0000000233
 Unscaled step for mode   28=        0.0000000142
 Unscaled step for mode   29=        0.0000000246
 Unscaled step for mode   30=        0.0000000289
 Unscaled step for mode   31=        0.0000000092
 Unscaled step for mode   32=        0.0000000025
 Unscaled step for mode   33=       -0.0000000176
 Unscaled step for mode   34=       -0.0000000088
 Unscaled step for mode   35=       -0.0000000538
 Unscaled step for mode   36=       -0.0000000118
 Unscaled step for mode   37=        0.0000000252
 Unscaled step for mode   38=        0.0000000126
 Unscaled step for mode   39=        0.0000000431
 Unscaled step for mode   40=       -0.0000000249
 Unscaled step for mode   41=       -0.0000000311
 Unscaled step for mode   42=        0.0000000135
 Unscaled step for mode   43=       -0.0000000117
 Unscaled step for mode   44=        0.0000000193
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000330
 Unscaled step for mode   47=        0.0000000767
 Unscaled step for mode   48=        0.0000000025
 Unscaled step for mode   49=        0.0000000446
 Unscaled step for mode   50=       -0.0000000315
 Unscaled step for mode   51=        0.0000000326
 Unscaled step for mode   52=       -0.0000000017
 Unscaled step for mode   53=        0.0000000358
 Unscaled step for mode   54=        0.0000000214
 Unscaled step for mode   55=        0.0000000719
 Unscaled step for mode   56=        0.0000000262
 Unscaled step for mode   57=       -0.0000000137
 Unscaled step for mode   58=        0.0000000633
 Unscaled step for mode   59=       -0.0000000402
 Unscaled step for mode   60=        0.0000000713
 Unscaled step for mode   61=       -0.0000000573
 Unscaled step for mode   62=       -0.0000001624
 Unscaled step for mode   63=       -0.0000001088
 Unscaled step for mode   64=       -0.0000000300
 Unscaled step for mode   65=       -0.0000000069
 Unscaled step for mode   66=        0.0000001264
 Unscaled step for mode   67=       -0.0000000106
 Unscaled step for mode   68=        0.0000000376
 Unscaled step for mode   69=        0.0000000025
 Unscaled step for mode   70=       -0.0000000758
 Unscaled step for mode   71=        0.0000000041
 Unscaled step for mode   72=        0.0000001927
 Unscaled step for mode   73=       -0.0000000831
 Unscaled step for mode   74=        0.0000002231
 Unscaled step for mode   75=       -0.0000001727
 Unscaled step for mode   76=        0.0000002015
 Unscaled step for mode   77=       -0.0000000209
 Unscaled step for mode   78=       -0.0000003980
 Unscaled step for mode   79=       -0.0000003534
 Unscaled step for mode   80=        0.0000001100
 Unscaled step for mode   81=       -0.0000001301
 Unscaled step for mode   82=       -0.0000001921
 Unscaled step for mode   83=        0.0000001097
 Unscaled step for mode   84=       -0.0000001887
 Unscaled step for mode   85=        0.0000003427
 Unscaled step for mode   86=       -0.0000004435
 Unscaled step for mode   87=       -0.0000000408
 Unscaled step for mode   88=        0.0000000137
 Unscaled step for mode   89=        0.0000004498
 Unscaled step for mode   90=        0.0000002222
 Unscaled step for mode   91=       -0.0000000055
 Unscaled step for mode   92=        0.0000005780
 Unscaled step for mode   93=       -0.0000006581
 Unscaled step for mode   94=       -0.0000003646
 Unscaled step for mode   95=       -0.0000006523
 Unscaled step for mode   96=        0.0000001965
 Unscaled step for mode   97=       -0.0000005119
 Unscaled step for mode   98=        0.0000004010
 Unscaled step for mode   99=       -0.0000010172
 Unscaled step for mode  100=        0.0000008668
 Unscaled step for mode  101=        0.0000028791
 Unscaled step for mode  102=       -0.0000015283
 Unscaled step for mode  103=        0.0000010745
 Unscaled step for mode  104=       -0.0000014350
 Unscaled step for mode  105=       -0.0000010307
 Unscaled step for mode  106=        0.0000000740
 Unscaled step for mode  107=       -0.0000052451
 Unscaled step for mode  108=        0.0000048510
 Unscaled step for mode  109=       -0.0000050328
 Unscaled step for mode  110=       -0.0000064303
 Unscaled step for mode  111=        0.0000163706
 Unscaled step for mode  112=        0.0000015720
 Unscaled step for mode  113=       -0.0007601538
 Unscaled step for mode  114=       -0.0611965492
 Largest modulus ratio of non-zero e/values=           149.9988078    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.474881E-16    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.945099E-15    0.100760E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.121127E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.940003E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.519619E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.518452E-15    0.973570E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.189002E-06    0.721524E+03  0.261948E-09 0.100000E-04    0.950577E+00
   8   -0.121874E-05    0.671186E+03  0.181580E-08 0.100000E-04    0.978630E+00
   9    0.731831E-06    0.624093E+03 -0.117263E-08 0.100000E-04    0.988526E+00
  10    0.144825E-05    0.603849E+03 -0.239836E-08 0.100000E-04    0.997556E+00
  11   -0.992538E-06    0.589644E+03  0.168328E-08 0.100000E-04    0.999872E+00
  12    0.305157E-05    0.564778E+03 -0.540313E-08 0.100000E-04    0.995149E+00
  13    0.140869E-05    0.562898E+03 -0.250258E-08 0.100000E-04    0.978432E+00
  14   -0.567538E-05    0.478685E+03  0.118562E-07 0.100000E-04    0.999918E+00
  15    0.174406E-05    0.469536E+03 -0.371444E-08 0.100000E-04    0.993570E+00
  16    0.171887E-05    0.463001E+03 -0.371246E-08 0.100000E-04    0.993068E+00
  17    0.153845E-05    0.441432E+03 -0.348514E-08 0.100000E-04    0.995956E+00
  18    0.356068E-05    0.431363E+03 -0.825447E-08 0.100000E-04    0.994766E+00
  19    0.769966E-05    0.420624E+03 -0.183053E-07 0.100000E-04    0.994620E+00
  20    0.837009E-05    0.406055E+03 -0.206132E-07 0.100000E-04    0.998802E+00
  21    0.524810E-05    0.398249E+03 -0.131779E-07 0.100000E-04    0.995742E+00
  22    0.342667E-06    0.388526E+03 -0.881967E-09 0.100000E-04    0.938765E+00
  23   -0.179388E-05    0.367010E+03  0.488784E-08 0.100000E-04    0.995211E+00
  24    0.186171E-05    0.363606E+03 -0.512013E-08 0.100000E-04    0.998815E+00
  25   -0.938936E-05    0.352366E+03  0.266466E-07 0.100000E-04    0.993826E+00
  26   -0.146092E-04    0.342209E+03  0.426910E-07 0.100000E-04    0.993200E+00
  27   -0.754585E-05    0.324318E+03  0.232668E-07 0.100000E-04    0.993652E+00
  28   -0.458881E-05    0.322296E+03  0.142379E-07 0.100000E-04    0.991169E+00
  29   -0.783515E-05    0.318364E+03  0.246107E-07 0.100000E-04    0.995770E+00
  30   -0.916368E-05    0.317135E+03  0.288952E-07 0.100000E-04    0.979755E+00
  31   -0.279374E-05    0.305273E+03  0.915163E-08 0.100000E-04    0.984078E+00
  32   -0.729087E-06    0.287412E+03  0.253673E-08 0.100000E-04    0.978309E+00
  33    0.491447E-05    0.279805E+03 -0.175639E-07 0.100000E-04    0.994823E+00
  34    0.237407E-05    0.271311E+03 -0.875035E-08 0.100000E-04    0.995186E+00
  35    0.143021E-04    0.265773E+03 -0.538130E-07 0.100000E-04    0.993450E+00
  36    0.308634E-05    0.262401E+03 -0.117619E-07 0.100000E-04    0.987787E+00
  37   -0.650360E-05    0.257806E+03  0.252267E-07 0.100000E-04    0.992040E+00
  38   -0.320486E-05    0.253446E+03  0.126451E-07 0.100000E-04    0.993279E+00
  39   -0.104898E-04    0.243602E+03  0.430611E-07 0.100000E-04    0.994699E+00
  40    0.594453E-05    0.239064E+03 -0.248659E-07 0.100000E-04    0.986711E+00
  41    0.730028E-05    0.234617E+03 -0.311157E-07 0.100000E-04    0.987686E+00
  42   -0.309616E-05    0.228586E+03  0.135448E-07 0.100000E-04    0.989643E+00
  43    0.261143E-05    0.224061E+03 -0.116550E-07 0.100000E-04    0.985617E+00
  44   -0.409935E-05    0.212693E+03  0.192736E-07 0.100000E-04    0.975141E+00
  45    0.371506E-05    0.211313E+03 -0.175809E-07 0.100000E-04    0.999458E+00
  46    0.692293E-05    0.209472E+03 -0.330495E-07 0.100000E-04    0.987876E+00
  47   -0.155785E-04    0.202995E+03  0.767431E-07 0.100000E-04    0.992116E+00
  48   -0.491219E-06    0.198414E+03  0.247572E-08 0.100000E-04    0.963097E+00
  49   -0.871452E-05    0.195442E+03  0.445888E-07 0.100000E-04    0.990434E+00
  50    0.603106E-05    0.191618E+03 -0.314744E-07 0.100000E-04    0.997866E+00
  51   -0.607562E-05    0.186173E+03  0.326343E-07 0.100000E-04    0.990897E+00
  52    0.304725E-06    0.177673E+03 -0.171508E-08 0.100000E-04    0.977481E+00
  53   -0.611608E-05    0.170785E+03  0.358115E-07 0.100000E-04    0.993582E+00
  54   -0.360026E-05    0.168056E+03  0.214230E-07 0.100000E-04    0.985248E+00
  55   -0.119143E-04    0.165705E+03  0.719008E-07 0.100000E-04    0.993844E+00
  56   -0.420946E-05    0.160477E+03  0.262310E-07 0.100000E-04    0.997922E+00
  57    0.210430E-05    0.153575E+03 -0.137021E-07 0.100000E-04    0.987979E+00
  58   -0.955668E-05    0.151021E+03  0.632804E-07 0.100000E-04    0.994019E+00
  59    0.598096E-05    0.148809E+03 -0.401921E-07 0.100000E-04    0.992459E+00
  60   -0.101753E-04    0.142702E+03  0.713043E-07 0.100000E-04    0.991070E+00
  61    0.784242E-05    0.136925E+03 -0.572754E-07 0.100000E-04    0.993795E+00
  62    0.219032E-04    0.134870E+03 -0.162403E-06 0.100000E-04    0.995532E+00
  63    0.142566E-04    0.130977E+03 -0.108848E-06 0.100000E-04    0.996116E+00
  64    0.383116E-05    0.127668E+03 -0.300087E-07 0.100000E-04    0.985014E+00
  65    0.870378E-06    0.125841E+03 -0.691651E-08 0.100000E-04    0.964942E+00
  66   -0.157822E-04    0.124817E+03  0.126443E-06 0.100000E-04    0.994880E+00
  67    0.126439E-05    0.119439E+03 -0.105861E-07 0.100000E-04    0.982880E+00
  68   -0.443483E-05    0.117945E+03  0.376007E-07 0.100000E-04    0.993393E+00
  69   -0.294138E-06    0.116521E+03  0.252434E-08 0.100000E-04    0.941692E+00
  70    0.851843E-05    0.112387E+03 -0.757958E-07 0.100000E-04    0.988202E+00
  71   -0.455866E-06    0.109892E+03  0.414831E-08 0.100000E-04    0.972051E+00
  72   -0.203172E-04    0.105433E+03  0.192702E-06 0.100000E-04    0.993997E+00
  73    0.854273E-05    0.102840E+03 -0.830679E-07 0.100000E-04    0.988294E+00
  74   -0.223851E-04    0.100358E+03  0.223051E-06 0.100000E-04    0.995973E+00
  75    0.167783E-04    0.971632E+02 -0.172681E-06 0.100000E-04    0.988694E+00
  76   -0.191593E-04    0.950735E+02  0.201521E-06 0.100000E-04    0.993228E+00
  77    0.190806E-05    0.910960E+02 -0.209456E-07 0.100000E-04    0.920225E+00
  78    0.361503E-04    0.908231E+02 -0.398030E-06 0.100000E-04    0.991927E+00
  79    0.312956E-04    0.885678E+02 -0.353352E-06 0.100000E-04    0.998877E+00
  80   -0.929937E-05    0.845160E+02  0.110031E-06 0.100000E-04    0.990656E+00
  81    0.105233E-04    0.808848E+02 -0.130102E-06 0.100000E-04    0.994378E+00
  82    0.152190E-04    0.792124E+02 -0.192129E-06 0.100000E-04    0.999530E+00
  83   -0.862646E-05    0.786350E+02  0.109703E-06 0.100000E-04    0.993195E+00
  84    0.137637E-04    0.729264E+02 -0.188735E-06 0.100000E-04    0.993428E+00
  85   -0.244854E-04    0.714427E+02  0.342727E-06 0.100000E-04    0.995623E+00
  86    0.306381E-04    0.690829E+02 -0.443498E-06 0.100000E-04    0.995624E+00
  87    0.276849E-05    0.677841E+02 -0.408428E-07 0.100000E-04    0.949404E+00
  88   -0.867151E-06    0.634482E+02  0.136671E-07 0.100000E-04    0.998996E+00
  89   -0.278892E-04    0.620086E+02  0.449762E-06 0.100000E-04    0.994558E+00
  90   -0.132553E-04    0.596558E+02  0.222196E-06 0.100000E-04    0.996840E+00
  91    0.325102E-06    0.586817E+02 -0.554009E-08 0.100000E-04    0.946400E+00
  92   -0.322696E-04    0.558342E+02  0.577954E-06 0.100000E-04    0.991687E+00
  93    0.352474E-04    0.535563E+02 -0.658137E-06 0.100000E-04    0.998334E+00
  94    0.190548E-04    0.522633E+02 -0.364592E-06 0.100000E-04    0.994096E+00
  95    0.328109E-04    0.503005E+02 -0.652299E-06 0.100000E-04    0.998763E+00
  96   -0.942890E-05    0.479908E+02  0.196473E-06 0.100000E-04    0.994071E+00
  97    0.222637E-04    0.434925E+02 -0.511896E-06 0.100000E-04    0.995593E+00
  98   -0.160058E-04    0.399125E+02  0.401024E-06 0.100000E-04    0.993988E+00
  99    0.378825E-04    0.372408E+02 -0.101723E-05 0.100000E-04    0.989688E+00
 100   -0.313828E-04    0.362040E+02  0.866831E-06 0.100000E-04    0.998648E+00
 101   -0.100802E-03    0.350119E+02  0.287909E-05 0.100000E-04    0.995980E+00
 102    0.446799E-04    0.292350E+02 -0.152830E-05 0.100000E-04    0.994099E+00
 103   -0.310907E-04    0.289361E+02  0.107446E-05 0.100000E-04    0.998676E+00
 104    0.412236E-04    0.287267E+02 -0.143503E-05 0.100000E-04    0.999469E+00
 105    0.239797E-04    0.232645E+02 -0.103074E-05 0.100000E-04    0.990641E+00
 106   -0.162266E-05    0.219256E+02  0.740074E-07 0.100000E-04    0.861668E+00
 107    0.102875E-03    0.196135E+02 -0.524510E-05 0.100000E-04    0.996233E+00
 108   -0.810907E-04    0.167162E+02  0.485102E-05 0.100000E-04    0.998156E+00
 109    0.695558E-04    0.138204E+02 -0.503282E-05 0.100000E-04    0.997321E+00
 110    0.802915E-04    0.124865E+02 -0.643026E-05 0.100000E-04    0.991053E+00
 111   -0.182948E-03    0.111755E+02  0.100000E-04 0.100000E-04    0.918109E+00
 112   -0.149014E-04    0.947941E+01  0.157197E-05 0.100000E-04    0.992043E+00
 113    0.578268E-02    0.760725E+01 -0.116581E-04 0.116581E-04    0.264602E+00
 114   -0.295474E+00    0.481020E+01 -0.400000E-03 0.400000E-03    0.178858E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6119654923E-01

 Beginning of optimization cycle  135.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3938233513
 potential> RMS force:                                               0.0278589959   |gradient|=.2974526789    
 Eigenvalues of the Hessian matrix:
   721.58430    671.20213    624.11245    603.86149    589.64223    564.79842 
   562.93636    478.70268    469.51357    462.99054    441.42945    431.35331 
   420.63162    406.06627    398.24531    388.52979    367.01201    363.59594 
   352.35690    342.16999    324.32370    322.28067    318.35700    317.14148 
   305.26972    287.41487    279.80077    271.30526    265.77410    262.40984 
   257.81061    253.44821    243.59028    239.05099    234.62883    228.58818 
   224.04177    212.69210    211.31763    209.45952    202.99763    198.40989 
   195.44398    191.61765    186.16550    177.65878    170.78851    168.05327 
   165.70389    160.47228    153.57214    151.02017    148.81533    142.70589 
   136.92525    134.87484    130.97625    127.66796    125.84395    124.82360 
   119.43978    117.94522    116.52462    112.37912    109.88272    105.42946 
   102.84111    100.35412     97.16074     95.07432     91.09001     90.83009 
    88.57943     84.51753     80.88491     79.21596     78.63289     72.92373 
    71.44593     69.07373     67.78681     63.44670     62.00098     59.65567 
    58.68468     55.83479     53.55341     52.26228     50.30020     47.98993 
    43.48802     39.91520     37.23442     36.20349     35.01934     29.22653 
    28.93437     28.72696     23.25977     21.92625     19.61517     16.71822 
    13.81939     12.48369     11.16419      9.48121      7.60748      4.80967 
overlap for current and previous eigenvector    109 is        -0.9999976168
overlap for current and previous eigenvector    110 is         0.9999954399
overlap for current and previous eigenvector    111 is         0.9999926393
overlap for current and previous eigenvector    112 is         0.9999993174
overlap for current and previous eigenvector    113 is         0.9999991268
overlap for current and previous eigenvector    114 is        -0.9999994149
J1,K1,R1,R2,RAT=   7   7   -0.6571474690E-01     2.065548960        0.9342852531    
FOB,PFOB,DIAG,PSTEP=   -0.2014228470E-06   -0.1890016235E-06     721.5842966        0.2619476237E-09
J1,K1,R1,R2,RAT=   8   8   -0.1852063716E-02     2.001804126        0.9981479363    
FOB,PFOB,DIAG,PSTEP=   -0.1220997823E-05   -0.1218740584E-05     671.2021287        0.1815801446E-08
J1,K1,R1,R2,RAT=   9   9    0.7514977759E-02     1.992422350        0.9924223502    
FOB,PFOB,DIAG,PSTEP=    0.7263307434E-06    0.7318306064E-06     624.1124470       -0.1172630899E-08
J1,K1,R1,R2,RAT=  10  10   -0.7460770085E-02     2.007420573        0.9925392299    
FOB,PFOB,DIAG,PSTEP=    0.1459051795E-05    0.1448246543E-05     603.8614942       -0.2398357348E-08
J1,K1,R1,R2,RAT=  11  11   -0.3629202758E-02     2.003636605        0.9963707972    
FOB,PFOB,DIAG,PSTEP=   -0.9961403645E-06   -0.9925382553E-06     589.6422252        0.1683282742E-08
J1,K1,R1,R2,RAT= 109 109     2.002194243       -0.2041778194E-02    0.9979582218    
FOB,PFOB,DIAG,PSTEP=   -0.6969777426E-04    0.6955576764E-04     13.81939154       -0.5032816779E-05
J1,K1,R1,R2,RAT= 110 110   -0.1619103633E-01     2.016643515        0.9838089637    
FOB,PFOB,DIAG,PSTEP=    0.8159120670E-04    0.8029149818E-04     12.48368939       -0.6430257491E-05
J1,K1,R1,R2,RAT= 111 111   -0.8389262102E-01     3.361305942        0.9161073790    
FOB,PFOB,DIAG,PSTEP=   -0.1923143077E-03   -0.1829483736E-03     11.16419296        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.3357971871E-01     1.966039986        0.9660399858    
FOB,PFOB,DIAG,PSTEP=   -0.1440087673E-04   -0.1490135521E-04     9.481214732        0.1571970431E-05
J1,K1,R1,R2,RAT= 113 113   -0.9313612050         131.3347032        0.6863879496E-01
FOB,PFOB,DIAG,PSTEP=    0.5865281705E-02    0.5782680081E-02     7.607484380       -0.1165814280E-04
J1,K1,R1,R2,RAT= 114 114    -308.1650757        0.9981941367        0.1805863300E-02
FOB,PFOB,DIAG,PSTEP=    0.2973946797       -0.2954742859         4.809670307       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
    -0.00001      0.00000     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00001     -0.00000     -0.00000     -0.00002 
     0.00000     -0.00000     -0.00000      0.00001     -0.00000     -0.00002 
     0.00001     -0.00002      0.00002     -0.00002      0.00000     -0.00004 
     0.00003     -0.00001      0.00001      0.00002     -0.00001      0.00001 
    -0.00002      0.00003      0.00000     -0.00000     -0.00003     -0.00001 
     0.00000     -0.00003      0.00004      0.00002      0.00003     -0.00001 
     0.00002     -0.00002      0.00004     -0.00003     -0.00010      0.00005 
    -0.00003      0.00004     -0.00002      0.00000     -0.00010      0.00008 
    -0.00007      0.00008     -0.00019     -0.00001      0.00587      0.29739 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384380140
 Log product of positive Hessian eigenvalues =          520.3761107016
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8096703066
 Unscaled step for mode    7=        0.0000000003
 Unscaled step for mode    8=        0.0000000018
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=       -0.0000000025
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000038
 Unscaled step for mode   17=       -0.0000000035
 Unscaled step for mode   18=       -0.0000000083
 Unscaled step for mode   19=       -0.0000000184
 Unscaled step for mode   20=       -0.0000000207
 Unscaled step for mode   21=       -0.0000000133
 Unscaled step for mode   22=       -0.0000000009
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000268
 Unscaled step for mode   26=        0.0000000430
 Unscaled step for mode   27=        0.0000000234
 Unscaled step for mode   28=        0.0000000141
 Unscaled step for mode   29=        0.0000000244
 Unscaled step for mode   30=        0.0000000295
 Unscaled step for mode   31=        0.0000000092
 Unscaled step for mode   32=        0.0000000026
 Unscaled step for mode   33=       -0.0000000177
 Unscaled step for mode   34=       -0.0000000089
 Unscaled step for mode   35=       -0.0000000541
 Unscaled step for mode   36=       -0.0000000119
 Unscaled step for mode   37=        0.0000000254
 Unscaled step for mode   38=        0.0000000127
 Unscaled step for mode   39=        0.0000000433
 Unscaled step for mode   40=       -0.0000000251
 Unscaled step for mode   41=       -0.0000000315
 Unscaled step for mode   42=        0.0000000137
 Unscaled step for mode   43=       -0.0000000117
 Unscaled step for mode   44=        0.0000000195
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000333
 Unscaled step for mode   47=        0.0000000772
 Unscaled step for mode   48=        0.0000000024
 Unscaled step for mode   49=        0.0000000449
 Unscaled step for mode   50=       -0.0000000318
 Unscaled step for mode   51=        0.0000000328
 Unscaled step for mode   52=       -0.0000000017
 Unscaled step for mode   53=        0.0000000359
 Unscaled step for mode   54=        0.0000000216
 Unscaled step for mode   55=        0.0000000722
 Unscaled step for mode   56=       -0.0000000264
 Unscaled step for mode   57=        0.0000000138
 Unscaled step for mode   58=       -0.0000000638
 Unscaled step for mode   59=       -0.0000000402
 Unscaled step for mode   60=        0.0000000716
 Unscaled step for mode   61=       -0.0000000578
 Unscaled step for mode   62=       -0.0000001632
 Unscaled step for mode   63=       -0.0000001096
 Unscaled step for mode   64=        0.0000000304
 Unscaled step for mode   65=        0.0000000069
 Unscaled step for mode   66=        0.0000001273
 Unscaled step for mode   67=       -0.0000000105
 Unscaled step for mode   68=        0.0000000379
 Unscaled step for mode   69=        0.0000000028
 Unscaled step for mode   70=       -0.0000000763
 Unscaled step for mode   71=        0.0000000043
 Unscaled step for mode   72=        0.0000001944
 Unscaled step for mode   73=       -0.0000000839
 Unscaled step for mode   74=        0.0000002244
 Unscaled step for mode   75=       -0.0000001742
 Unscaled step for mode   76=        0.0000002028
 Unscaled step for mode   77=       -0.0000000221
 Unscaled step for mode   78=        0.0000004003
 Unscaled step for mode   79=       -0.0000003541
 Unscaled step for mode   80=        0.0000001109
 Unscaled step for mode   81=       -0.0000001310
 Unscaled step for mode   82=       -0.0000001925
 Unscaled step for mode   83=        0.0000001097
 Unscaled step for mode   84=       -0.0000001907
 Unscaled step for mode   85=        0.0000003452
 Unscaled step for mode   86=       -0.0000004456
 Unscaled step for mode   87=       -0.0000000393
 Unscaled step for mode   88=        0.0000000146
 Unscaled step for mode   89=        0.0000004528
 Unscaled step for mode   90=        0.0000002244
 Unscaled step for mode   91=       -0.0000000052
 Unscaled step for mode   92=        0.0000005817
 Unscaled step for mode   93=       -0.0000006609
 Unscaled step for mode   94=       -0.0000003683
 Unscaled step for mode   95=       -0.0000006543
 Unscaled step for mode   96=        0.0000001966
 Unscaled step for mode   97=       -0.0000005160
 Unscaled step for mode   98=        0.0000004035
 Unscaled step for mode   99=       -0.0000010338
 Unscaled step for mode  100=        0.0000008669
 Unscaled step for mode  101=        0.0000028910
 Unscaled step for mode  102=       -0.0000015470
 Unscaled step for mode  103=        0.0000010736
 Unscaled step for mode  104=       -0.0000014426
 Unscaled step for mode  105=        0.0000010393
 Unscaled step for mode  106=       -0.0000000837
 Unscaled step for mode  107=        0.0000052765
 Unscaled step for mode  108=       -0.0000048316
 Unscaled step for mode  109=        0.0000050435
 Unscaled step for mode  110=       -0.0000065358
 Unscaled step for mode  111=        0.0000172260
 Unscaled step for mode  112=        0.0000015189
 Unscaled step for mode  113=       -0.0007709879
 Unscaled step for mode  114=        0.0615980412
 Largest modulus ratio of non-zero e/values=           150.0278087    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.854351E-16    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.371665E-15    0.100760E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.154000E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.959007E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.477916E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.275713E-15    0.973571E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.201423E-06    0.721584E+03  0.279140E-09 0.100000E-04    0.934285E+00
   8   -0.122100E-05    0.671202E+03  0.181912E-08 0.100000E-04    0.998148E+00
   9    0.726331E-06    0.624112E+03 -0.116378E-08 0.100000E-04    0.992422E+00
  10    0.145905E-05    0.603861E+03 -0.241620E-08 0.100000E-04    0.992539E+00
  11   -0.996140E-06    0.589642E+03  0.168940E-08 0.100000E-04    0.996371E+00
  12    0.305489E-05    0.564798E+03 -0.540881E-08 0.100000E-04    0.998913E+00
  13    0.139899E-05    0.562936E+03 -0.248516E-08 0.100000E-04    0.992975E+00
  14   -0.568284E-05    0.478703E+03  0.118713E-07 0.100000E-04    0.998686E+00
  15    0.173616E-05    0.469514E+03 -0.369779E-08 0.100000E-04    0.995470E+00
  16    0.174288E-05    0.462991E+03 -0.376440E-08 0.100000E-04    0.986032E+00
  17    0.156496E-05    0.441429E+03 -0.354521E-08 0.100000E-04    0.982768E+00
  18    0.357024E-05    0.431353E+03 -0.827685E-08 0.100000E-04    0.997313E+00
  19    0.774836E-05    0.420632E+03 -0.184208E-07 0.100000E-04    0.993676E+00
  20    0.839659E-05    0.406066E+03 -0.206779E-07 0.100000E-04    0.996833E+00
  21    0.527853E-05    0.398245E+03 -0.132545E-07 0.100000E-04    0.994201E+00
  22    0.368552E-06    0.388530E+03 -0.948581E-09 0.100000E-04    0.924461E+00
  23   -0.179100E-05    0.367012E+03  0.487995E-08 0.100000E-04    0.998380E+00
  24    0.185785E-05    0.363596E+03 -0.510965E-08 0.100000E-04    0.997925E+00
  25   -0.944306E-05    0.352357E+03  0.267997E-07 0.100000E-04    0.994281E+00
  26   -0.147112E-04    0.342170E+03  0.429940E-07 0.100000E-04    0.993016E+00
  27   -0.758310E-05    0.324324E+03  0.233813E-07 0.100000E-04    0.995064E+00
  28   -0.454012E-05    0.322281E+03  0.140875E-07 0.100000E-04    0.989390E+00
  29   -0.776368E-05    0.318357E+03  0.243867E-07 0.100000E-04    0.990878E+00
  30   -0.934465E-05    0.317141E+03  0.294653E-07 0.100000E-04    0.980251E+00
  31   -0.281628E-05    0.305270E+03  0.922554E-08 0.100000E-04    0.991933E+00
  32   -0.752026E-06    0.287415E+03  0.261652E-08 0.100000E-04    0.968539E+00
  33    0.495198E-05    0.279801E+03 -0.176983E-07 0.100000E-04    0.992366E+00
  34    0.240632E-05    0.271305E+03 -0.886941E-08 0.100000E-04    0.986416E+00
  35    0.143709E-04    0.265774E+03 -0.540718E-07 0.100000E-04    0.995188E+00
  36    0.313201E-05    0.262410E+03 -0.119356E-07 0.100000E-04    0.985203E+00
  37   -0.654980E-05    0.257811E+03  0.254055E-07 0.100000E-04    0.992896E+00
  38   -0.320888E-05    0.253448E+03  0.126609E-07 0.100000E-04    0.998745E+00
  39   -0.105558E-04    0.243590E+03  0.433341E-07 0.100000E-04    0.993710E+00
  40    0.600715E-05    0.239051E+03 -0.251292E-07 0.100000E-04    0.989465E+00
  41    0.739008E-05    0.234629E+03 -0.314969E-07 0.100000E-04    0.987700E+00
  42   -0.312195E-05    0.228588E+03  0.136575E-07 0.100000E-04    0.991669E+00
  43    0.263055E-05    0.224042E+03 -0.117413E-07 0.100000E-04    0.992680E+00
  44   -0.413960E-05    0.212692E+03  0.194629E-07 0.100000E-04    0.990181E+00
  45    0.372532E-05    0.211318E+03 -0.176290E-07 0.100000E-04    0.997239E+00
  46    0.697272E-05    0.209460E+03 -0.332891E-07 0.100000E-04    0.992808E+00
  47   -0.156651E-04    0.202998E+03  0.771690E-07 0.100000E-04    0.994437E+00
  48   -0.474492E-06    0.198410E+03  0.239147E-08 0.100000E-04    0.965948E+00
  49   -0.877403E-05    0.195444E+03  0.448928E-07 0.100000E-04    0.993171E+00
  50    0.608669E-05    0.191618E+03 -0.317648E-07 0.100000E-04    0.990776E+00
  51   -0.610507E-05    0.186166E+03  0.327938E-07 0.100000E-04    0.995152E+00
  52    0.302198E-06    0.177659E+03 -0.170100E-08 0.100000E-04    0.991708E+00
  53   -0.613952E-05    0.170789E+03  0.359481E-07 0.100000E-04    0.996168E+00
  54   -0.363298E-05    0.168053E+03  0.216180E-07 0.100000E-04    0.990912E+00
  55   -0.119720E-04    0.165704E+03  0.722491E-07 0.100000E-04    0.995163E+00
  56    0.424027E-05    0.160472E+03 -0.264237E-07 0.100000E-04    0.992680E+00
  57   -0.211814E-05    0.153572E+03  0.137924E-07 0.100000E-04    0.993426E+00
  58    0.962838E-05    0.151020E+03 -0.637556E-07 0.100000E-04    0.992498E+00
  59    0.598759E-05    0.148815E+03 -0.402350E-07 0.100000E-04    0.998892E+00
  60   -0.102154E-04    0.142706E+03  0.715835E-07 0.100000E-04    0.996057E+00
  61    0.791662E-05    0.136925E+03 -0.578171E-07 0.100000E-04    0.990539E+00
  62    0.220165E-04    0.134875E+03 -0.163237E-06 0.100000E-04    0.994827E+00
  63    0.143572E-04    0.130976E+03 -0.109617E-06 0.100000E-04    0.992939E+00
  64   -0.387772E-05    0.127668E+03  0.303735E-07 0.100000E-04    0.987847E+00
  65   -0.863351E-06    0.125844E+03  0.686049E-08 0.100000E-04    0.991873E+00
  66   -0.158894E-04    0.124824E+03  0.127295E-06 0.100000E-04    0.993210E+00
  67    0.125915E-05    0.119440E+03 -0.105421E-07 0.100000E-04    0.995839E+00
  68   -0.446978E-05    0.117945E+03  0.378971E-07 0.100000E-04    0.992118E+00
  69   -0.324899E-06    0.116525E+03  0.278824E-08 0.100000E-04    0.895425E+00
  70    0.857944E-05    0.112379E+03 -0.763437E-07 0.100000E-04    0.992837E+00
  71   -0.476418E-06    0.109883E+03  0.433570E-08 0.100000E-04    0.954913E+00
  72   -0.205002E-04    0.105429E+03  0.194445E-06 0.100000E-04    0.990993E+00
  73    0.863155E-05    0.102841E+03 -0.839309E-07 0.100000E-04    0.989603E+00
  74   -0.225168E-04    0.100354E+03  0.224374E-06 0.100000E-04    0.994113E+00
  75    0.169286E-04    0.971607E+02 -0.174233E-06 0.100000E-04    0.991040E+00
  76   -0.192771E-04    0.950743E+02  0.202758E-06 0.100000E-04    0.993854E+00
  77    0.201515E-05    0.910900E+02 -0.221226E-07 0.100000E-04    0.943871E+00
  78   -0.363638E-04    0.908301E+02  0.400350E-06 0.100000E-04    0.994094E+00
  79    0.313657E-04    0.885794E+02 -0.354097E-06 0.100000E-04    0.997761E+00
  80   -0.937133E-05    0.845175E+02  0.110880E-06 0.100000E-04    0.992262E+00
  81    0.105966E-04    0.808849E+02 -0.131009E-06 0.100000E-04    0.993029E+00
  82    0.152471E-04    0.792160E+02 -0.192475E-06 0.100000E-04    0.998153E+00
  83   -0.862565E-05    0.786329E+02  0.109695E-06 0.100000E-04    0.999906E+00
  84    0.139089E-04    0.729237E+02 -0.190732E-06 0.100000E-04    0.989455E+00
  85   -0.246645E-04    0.714459E+02  0.345219E-06 0.100000E-04    0.992684E+00
  86    0.307826E-04    0.690737E+02 -0.445649E-06 0.100000E-04    0.995283E+00
  87    0.266421E-05    0.677868E+02 -0.393028E-07 0.100000E-04    0.962254E+00
  88   -0.926616E-06    0.634467E+02  0.146046E-07 0.100000E-04    0.931423E+00
  89   -0.280749E-04    0.620010E+02  0.452814E-06 0.100000E-04    0.993339E+00
  90   -0.133880E-04    0.596557E+02  0.224421E-06 0.100000E-04    0.989990E+00
  91    0.302244E-06    0.586847E+02 -0.515030E-08 0.100000E-04    0.929591E+00
  92   -0.324807E-04    0.558348E+02  0.581729E-06 0.100000E-04    0.993457E+00
  93    0.353940E-04    0.535534E+02 -0.660911E-06 0.100000E-04    0.995840E+00
  94    0.192490E-04    0.522623E+02 -0.368314E-06 0.100000E-04    0.989810E+00
  95    0.329119E-04    0.503002E+02 -0.654309E-06 0.100000E-04    0.996923E+00
  96   -0.943391E-05    0.479899E+02  0.196581E-06 0.100000E-04    0.999469E+00
  97    0.224380E-04    0.434880E+02 -0.515958E-06 0.100000E-04    0.992169E+00
  98   -0.161047E-04    0.399152E+02  0.403472E-06 0.100000E-04    0.993827E+00
  99    0.384928E-04    0.372344E+02 -0.103380E-05 0.100000E-04    0.983888E+00
 100   -0.313854E-04    0.362035E+02  0.866917E-06 0.100000E-04    0.999916E+00
 101   -0.101241E-03    0.350193E+02  0.289100E-05 0.100000E-04    0.995651E+00
 102    0.452134E-04    0.292265E+02 -0.154700E-05 0.100000E-04    0.988057E+00
 103   -0.310627E-04    0.289344E+02  0.107356E-05 0.100000E-04    0.999099E+00
 104    0.414425E-04    0.287270E+02 -0.144264E-05 0.100000E-04    0.994690E+00
 105   -0.241750E-04    0.232598E+02  0.103935E-05 0.100000E-04    0.991853E+00
 106    0.183613E-05    0.219262E+02 -0.837412E-07 0.100000E-04    0.868448E+00
 107   -0.103499E-03    0.196152E+02  0.527646E-05 0.100000E-04    0.993933E+00
 108    0.807757E-04    0.167182E+02 -0.483160E-05 0.100000E-04    0.995877E+00
 109   -0.696978E-04    0.138194E+02  0.504348E-05 0.100000E-04    0.997958E+00
 110    0.815912E-04    0.124837E+02 -0.653582E-05 0.100000E-04    0.983809E+00
 111   -0.192314E-03    0.111642E+02  0.100000E-04 0.100000E-04    0.916107E+00
 112   -0.144009E-04    0.948121E+01  0.151889E-05 0.100000E-04    0.966040E+00
 113    0.586528E-02    0.760748E+01 -0.127074E-04 0.127074E-04    0.686388E-01
 114    0.297395E+00    0.480967E+01  0.400000E-03 0.400000E-03    0.180586E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6159804117E-01

 Beginning of optimization cycle  136.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3937040852
 potential> RMS force:                                               0.0280389378   |gradient|=.2993739335    
 Eigenvalues of the Hessian matrix:
   721.64407    671.21809    624.13188    603.87363    589.63987    564.81902 
   562.97477    478.72015    469.49089    462.97980    441.42737    431.34337 
   420.63940    406.07715    398.24150    388.53364    367.01423    363.58567 
   352.34795    342.13104    324.32963    322.26539    318.35066    317.14721 
   305.26679    287.41789    279.79640    271.29917    265.77498    262.41881 
   257.81524    253.45007    243.57842    239.03847    234.64039    228.59053 
   224.02291    212.69173    211.32281    209.44739    203.00043    198.40548 
   195.44620    191.61737    186.15806    177.64416    170.79180    168.05061 
   165.70257    160.46791    153.56897    151.01917    148.82135    142.70964 
   136.92568    134.87992    130.97508    127.66750    125.84728    124.83022 
   119.44050    117.94515    116.52816    112.37170    109.87333    105.42563 
   102.84187    100.34983     97.15820     95.07517     91.08401     90.83712 
    88.59102     84.51912     80.88503     79.21955     78.63077     72.92107 
    71.44910     69.06451     67.78948     63.44525     61.99323     59.65554 
    58.68766     55.83539     53.55042     52.26131     50.29989     47.98904 
    43.48353     39.91789     37.22810     36.20278     35.02677     29.21808 
    28.93261     28.72716     23.25508     21.92686     19.61690     16.72019 
    13.81835     12.48090     11.15287      9.48302      7.60769      4.80910 
overlap for current and previous eigenvector    109 is        -0.9999976458
overlap for current and previous eigenvector    110 is         0.9999955380
overlap for current and previous eigenvector    111 is         0.9999927378
overlap for current and previous eigenvector    112 is        -0.9999993021
overlap for current and previous eigenvector    113 is        -0.9999991217
overlap for current and previous eigenvector    114 is        -0.9999994186
J1,K1,R1,R2,RAT=   7   7   -0.4554743055E-01     2.045381763        0.9544525695    
FOB,PFOB,DIAG,PSTEP=   -0.2105979001E-06   -0.2014228470E-06     721.6440733        0.2791397317E-09
J1,K1,R1,R2,RAT=   8   8   -0.2083499736E-01     2.020787447        0.9791650026    
FOB,PFOB,DIAG,PSTEP=   -0.1246437914E-05   -0.1220997823E-05     671.2180872        0.1819120904E-08
J1,K1,R1,R2,RAT=   9   9   -0.1112018965E-01     2.011057919        0.9888798104    
FOB,PFOB,DIAG,PSTEP=    0.7344079305E-06    0.7263307434E-06     624.1318796       -0.1163781858E-08
J1,K1,R1,R2,RAT=  10  10    0.2406357016E-02     1.997553465        0.9975534649    
FOB,PFOB,DIAG,PSTEP=    0.1455540725E-05    0.1459051795E-05     603.8736255       -0.2416202737E-08
J1,K1,R1,R2,RAT=  11  11    0.1020336668E-03     1.999905954        0.9998979663    
FOB,PFOB,DIAG,PSTEP=   -0.9960387251E-06   -0.9961403645E-06     589.6398703        0.1689397947E-08
J1,K1,R1,R2,RAT= 109 109     2.002727230       -0.2576254058E-02    0.9974237459    
FOB,PFOB,DIAG,PSTEP=    0.6987731988E-04   -0.6969777426E-04     13.81834843        0.5043476339E-05
J1,K1,R1,R2,RAT= 110 110   -0.8746652125E-02     2.009193416        0.9912533479    
FOB,PFOB,DIAG,PSTEP=    0.8230469722E-04    0.8159120670E-04     12.48090138       -0.6535824801E-05
J1,K1,R1,R2,RAT= 111 111   -0.9203402407E-01     3.540729087        0.9079659759    
FOB,PFOB,DIAG,PSTEP=   -0.2025787464E-03   -0.1923143077E-03     11.15287401        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.991738714        0.7880800953E-02    0.9917387144    
FOB,PFOB,DIAG,PSTEP=    0.1428736469E-04   -0.1440087673E-04     9.483018804        0.1518885199E-05
J1,K1,R1,R2,RAT= 113 113     122.1136288       -0.7719100105        0.2280899895    
FOB,PFOB,DIAG,PSTEP=   -0.5939905168E-02    0.5865281705E-02     7.607690922       -0.1270737565E-04
J1,K1,R1,R2,RAT= 114 114    -310.1978766        0.9981837564        0.1816243618E-02
FOB,PFOB,DIAG,PSTEP=   -0.2993148274        0.2973946797         4.809103738        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001      0.00000      0.00000     -0.00001      0.00001      0.00001 
     0.00001      0.00002      0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000      0.00000     -0.00000      0.00001     -0.00000     -0.00002 
     0.00001     -0.00002      0.00002     -0.00002      0.00000     -0.00004 
     0.00003     -0.00001      0.00001      0.00002     -0.00001      0.00001 
    -0.00002      0.00003      0.00000     -0.00000     -0.00003     -0.00001 
     0.00000     -0.00003      0.00004      0.00002      0.00003     -0.00001 
     0.00002     -0.00002      0.00004     -0.00003     -0.00010      0.00005 
    -0.00003      0.00004      0.00002      0.00000      0.00010     -0.00008 
     0.00007      0.00008     -0.00020      0.00001     -0.00594     -0.29931 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384602982
 Log product of positive Hessian eigenvalues =          520.3741841166
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8091037376
 Unscaled step for mode    7=        0.0000000003
 Unscaled step for mode    8=        0.0000000019
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=       -0.0000000024
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000038
 Unscaled step for mode   17=       -0.0000000036
 Unscaled step for mode   18=       -0.0000000083
 Unscaled step for mode   19=       -0.0000000185
 Unscaled step for mode   20=       -0.0000000207
 Unscaled step for mode   21=       -0.0000000133
 Unscaled step for mode   22=       -0.0000000010
 Unscaled step for mode   23=        0.0000000049
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000270
 Unscaled step for mode   26=        0.0000000433
 Unscaled step for mode   27=        0.0000000235
 Unscaled step for mode   28=        0.0000000140
 Unscaled step for mode   29=        0.0000000242
 Unscaled step for mode   30=        0.0000000301
 Unscaled step for mode   31=        0.0000000094
 Unscaled step for mode   32=        0.0000000027
 Unscaled step for mode   33=       -0.0000000178
 Unscaled step for mode   34=       -0.0000000089
 Unscaled step for mode   35=       -0.0000000544
 Unscaled step for mode   36=       -0.0000000121
 Unscaled step for mode   37=        0.0000000256
 Unscaled step for mode   38=        0.0000000127
 Unscaled step for mode   39=        0.0000000436
 Unscaled step for mode   40=       -0.0000000255
 Unscaled step for mode   41=       -0.0000000319
 Unscaled step for mode   42=        0.0000000138
 Unscaled step for mode   43=       -0.0000000119
 Unscaled step for mode   44=        0.0000000199
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000337
 Unscaled step for mode   47=        0.0000000778
 Unscaled step for mode   48=        0.0000000023
 Unscaled step for mode   49=        0.0000000453
 Unscaled step for mode   50=       -0.0000000318
 Unscaled step for mode   51=        0.0000000331
 Unscaled step for mode   52=       -0.0000000017
 Unscaled step for mode   53=        0.0000000362
 Unscaled step for mode   54=        0.0000000219
 Unscaled step for mode   55=       -0.0000000727
 Unscaled step for mode   56=       -0.0000000265
 Unscaled step for mode   57=       -0.0000000140
 Unscaled step for mode   58=        0.0000000641
 Unscaled step for mode   59=       -0.0000000405
 Unscaled step for mode   60=       -0.0000000722
 Unscaled step for mode   61=       -0.0000000582
 Unscaled step for mode   62=       -0.0000001639
 Unscaled step for mode   63=       -0.0000001100
 Unscaled step for mode   64=        0.0000000308
 Unscaled step for mode   65=        0.0000000066
 Unscaled step for mode   66=        0.0000001279
 Unscaled step for mode   67=        0.0000000107
 Unscaled step for mode   68=       -0.0000000381
 Unscaled step for mode   69=        0.0000000029
 Unscaled step for mode   70=       -0.0000000772
 Unscaled step for mode   71=        0.0000000045
 Unscaled step for mode   72=        0.0000001956
 Unscaled step for mode   73=       -0.0000000849
 Unscaled step for mode   74=        0.0000002253
 Unscaled step for mode   75=       -0.0000001762
 Unscaled step for mode   76=        0.0000002041
 Unscaled step for mode   77=       -0.0000000240
 Unscaled step for mode   78=        0.0000004035
 Unscaled step for mode   79=       -0.0000003544
 Unscaled step for mode   80=        0.0000001119
 Unscaled step for mode   81=       -0.0000001317
 Unscaled step for mode   82=       -0.0000001924
 Unscaled step for mode   83=        0.0000001105
 Unscaled step for mode   84=       -0.0000001920
 Unscaled step for mode   85=        0.0000003467
 Unscaled step for mode   86=       -0.0000004476
 Unscaled step for mode   87=       -0.0000000370
 Unscaled step for mode   88=        0.0000000146
 Unscaled step for mode   89=        0.0000004553
 Unscaled step for mode   90=        0.0000002251
 Unscaled step for mode   91=       -0.0000000048
 Unscaled step for mode   92=        0.0000005865
 Unscaled step for mode   93=       -0.0000006620
 Unscaled step for mode   94=       -0.0000003705
 Unscaled step for mode   95=       -0.0000006551
 Unscaled step for mode   96=        0.0000001977
 Unscaled step for mode   97=       -0.0000005183
 Unscaled step for mode   98=        0.0000004059
 Unscaled step for mode   99=       -0.0000010446
 Unscaled step for mode  100=        0.0000008654
 Unscaled step for mode  101=        0.0000029017
 Unscaled step for mode  102=       -0.0000015571
 Unscaled step for mode  103=        0.0000010712
 Unscaled step for mode  104=       -0.0000014433
 Unscaled step for mode  105=       -0.0000010491
 Unscaled step for mode  106=       -0.0000000720
 Unscaled step for mode  107=       -0.0000052954
 Unscaled step for mode  108=        0.0000048225
 Unscaled step for mode  109=       -0.0000050569
 Unscaled step for mode  110=       -0.0000065945
 Unscaled step for mode  111=        0.0000181638
 Unscaled step for mode  112=       -0.0000015066
 Unscaled step for mode  113=        0.0007807759
 Unscaled step for mode  114=       -0.0619999648
 Largest modulus ratio of non-zero e/values=           150.0579136    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.802310E-17    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.278206E-15    0.100760E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.617236E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.282274E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.594143E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.507840E-15    0.973573E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.210598E-06    0.721644E+03  0.291831E-09 0.100000E-04    0.954453E+00
   8   -0.124644E-05    0.671218E+03  0.185698E-08 0.100000E-04    0.979165E+00
   9    0.734408E-06    0.624132E+03 -0.117669E-08 0.100000E-04    0.988880E+00
  10    0.145554E-05    0.603874E+03 -0.241034E-08 0.100000E-04    0.997553E+00
  11   -0.996039E-06    0.589640E+03  0.168923E-08 0.100000E-04    0.999898E+00
  12    0.306928E-05    0.564819E+03 -0.543409E-08 0.100000E-04    0.995289E+00
  13    0.136734E-05    0.562975E+03 -0.242878E-08 0.100000E-04    0.977244E+00
  14   -0.568223E-05    0.478720E+03  0.118696E-07 0.100000E-04    0.999819E+00
  15    0.174711E-05    0.469491E+03 -0.372129E-08 0.100000E-04    0.993693E+00
  16    0.175498E-05    0.462980E+03 -0.379061E-08 0.100000E-04    0.993059E+00
  17    0.157139E-05    0.441427E+03 -0.355980E-08 0.100000E-04    0.995889E+00
  18    0.358862E-05    0.431343E+03 -0.831963E-08 0.100000E-04    0.994854E+00
  19    0.778959E-05    0.420639E+03 -0.185185E-07 0.100000E-04    0.994679E+00
  20    0.840615E-05    0.406077E+03 -0.207009E-07 0.100000E-04    0.998862E+00
  21    0.530058E-05    0.398241E+03 -0.133100E-07 0.100000E-04    0.995822E+00
  22    0.388693E-06    0.388534E+03 -0.100041E-08 0.100000E-04    0.945351E+00
  23   -0.178216E-05    0.367014E+03  0.485585E-08 0.100000E-04    0.995054E+00
  24    0.185535E-05    0.363586E+03 -0.510293E-08 0.100000E-04    0.998656E+00
  25   -0.950067E-05    0.352348E+03  0.269639E-07 0.100000E-04    0.993899E+00
  26   -0.148102E-04    0.342131E+03  0.432880E-07 0.100000E-04    0.993276E+00
  27   -0.763085E-05    0.324330E+03  0.235281E-07 0.100000E-04    0.993703E+00
  28   -0.449681E-05    0.322265E+03  0.139537E-07 0.100000E-04    0.990460E+00
  29   -0.771533E-05    0.318351E+03  0.242353E-07 0.100000E-04    0.993772E+00
  30   -0.953368E-05    0.317147E+03  0.300607E-07 0.100000E-04    0.979772E+00
  31   -0.286040E-05    0.305267E+03  0.937015E-08 0.100000E-04    0.984335E+00
  32   -0.767815E-06    0.287418E+03  0.267143E-08 0.100000E-04    0.979004E+00
  33    0.497737E-05    0.279796E+03 -0.177893E-07 0.100000E-04    0.994873E+00
  34    0.241815E-05    0.271299E+03 -0.891324E-08 0.100000E-04    0.995081E+00
  35    0.144635E-04    0.265775E+03 -0.544201E-07 0.100000E-04    0.993556E+00
  36    0.317017E-05    0.262419E+03 -0.120806E-07 0.100000E-04    0.987818E+00
  37   -0.660145E-05    0.257815E+03  0.256053E-07 0.100000E-04    0.992115E+00
  38   -0.322992E-05    0.253450E+03  0.127438E-07 0.100000E-04    0.993445E+00
  39   -0.106107E-04    0.243578E+03  0.435619E-07 0.100000E-04    0.994792E+00
  40    0.608526E-05    0.239038E+03 -0.254572E-07 0.100000E-04    0.986996E+00
  41    0.748046E-05    0.234640E+03 -0.318805E-07 0.100000E-04    0.987771E+00
  42   -0.315386E-05    0.228591E+03  0.137970E-07 0.100000E-04    0.989781E+00
  43    0.266796E-05    0.224023E+03 -0.119093E-07 0.100000E-04    0.985777E+00
  44   -0.423979E-05    0.212692E+03  0.199340E-07 0.100000E-04    0.975797E+00
  45    0.372260E-05    0.211323E+03 -0.176157E-07 0.100000E-04    0.999220E+00
  46    0.705550E-05    0.209447E+03 -0.336862E-07 0.100000E-04    0.988128E+00
  47   -0.157867E-04    0.203000E+03  0.777670E-07 0.100000E-04    0.992236E+00
  48   -0.455269E-06    0.198405E+03  0.229464E-08 0.100000E-04    0.959487E+00
  49   -0.885695E-05    0.195446E+03  0.453165E-07 0.100000E-04    0.990550E+00
  50    0.609938E-05    0.191617E+03 -0.318310E-07 0.100000E-04    0.997915E+00
  51   -0.616000E-05    0.186158E+03  0.330902E-07 0.100000E-04    0.991002E+00
  52    0.294922E-06    0.177644E+03 -0.166019E-08 0.100000E-04    0.975922E+00
  53   -0.617827E-05    0.170792E+03  0.361743E-07 0.100000E-04    0.993689E+00
  54   -0.368576E-05    0.168051E+03  0.219324E-07 0.100000E-04    0.985472E+00
  55    0.120445E-04    0.165703E+03 -0.726874E-07 0.100000E-04    0.993942E+00
  56    0.424894E-05    0.160468E+03 -0.264784E-07 0.100000E-04    0.997956E+00
  57    0.214338E-05    0.153569E+03 -0.139571E-07 0.100000E-04    0.988083E+00
  58   -0.968585E-05    0.151019E+03  0.641366E-07 0.100000E-04    0.994030E+00
  59    0.603122E-05    0.148821E+03 -0.405266E-07 0.100000E-04    0.992714E+00
  60    0.103051E-04    0.142710E+03 -0.722100E-07 0.100000E-04    0.991222E+00
  61    0.796555E-05    0.136926E+03 -0.581743E-07 0.100000E-04    0.993819E+00
  62    0.221131E-04    0.134880E+03 -0.163946E-06 0.100000E-04    0.995615E+00
  63    0.144122E-04    0.130975E+03 -0.110038E-06 0.100000E-04    0.996170E+00
  64   -0.393545E-05    0.127668E+03  0.308258E-07 0.100000E-04    0.985113E+00
  65   -0.831706E-06    0.125847E+03  0.660885E-08 0.100000E-04    0.963294E+00
  66   -0.159695E-04    0.124830E+03  0.127930E-06 0.100000E-04    0.994958E+00
  67   -0.128053E-05    0.119440E+03  0.107211E-07 0.100000E-04    0.983017E+00
  68    0.449894E-05    0.117945E+03 -0.381443E-07 0.100000E-04    0.993477E+00
  69   -0.341387E-06    0.116528E+03  0.292965E-08 0.100000E-04    0.949253E+00
  70    0.867903E-05    0.112372E+03 -0.772350E-07 0.100000E-04    0.988390E+00
  71   -0.489341E-06    0.109873E+03  0.445368E-08 0.100000E-04    0.972873E+00
  72   -0.206224E-04    0.105426E+03  0.195611E-06 0.100000E-04    0.994037E+00
  73    0.873097E-05    0.102842E+03 -0.848970E-07 0.100000E-04    0.988482E+00
  74   -0.226054E-04    0.100350E+03  0.225266E-06 0.100000E-04    0.996065E+00
  75    0.171179E-04    0.971582E+02 -0.176186E-06 0.100000E-04    0.988816E+00
  76   -0.194055E-04    0.950752E+02  0.204107E-06 0.100000E-04    0.993336E+00
  77    0.218354E-05    0.910840E+02 -0.239728E-07 0.100000E-04    0.916435E+00
  78   -0.366505E-04    0.908371E+02  0.403474E-06 0.100000E-04    0.992118E+00
  79    0.313953E-04    0.885910E+02 -0.354385E-06 0.100000E-04    0.999056E+00
  80   -0.945763E-05    0.845191E+02  0.111899E-06 0.100000E-04    0.990790E+00
  81    0.106553E-04    0.808850E+02 -0.131734E-06 0.100000E-04    0.994464E+00
  82    0.152385E-04    0.792196E+02 -0.192358E-06 0.100000E-04    0.999346E+00
  83   -0.868505E-05    0.786308E+02  0.110454E-06 0.100000E-04    0.993114E+00
  84    0.139996E-04    0.729211E+02 -0.191983E-06 0.100000E-04    0.993479E+00
  85   -0.247711E-04    0.714491E+02  0.346696E-06 0.100000E-04    0.995677E+00
  86    0.309133E-04    0.690645E+02 -0.447600E-06 0.100000E-04    0.995755E+00
  87    0.251114E-05    0.677895E+02 -0.370432E-07 0.100000E-04    0.942468E+00
  88   -0.926961E-06    0.634453E+02  0.146104E-07 0.100000E-04    0.999628E+00
  89   -0.282261E-04    0.619932E+02  0.455309E-06 0.100000E-04    0.994615E+00
  90   -0.134299E-04    0.596555E+02  0.225124E-06 0.100000E-04    0.996868E+00
  91    0.284063E-06    0.586877E+02 -0.484024E-08 0.100000E-04    0.939748E+00
  92   -0.327457E-04    0.558354E+02  0.586468E-06 0.100000E-04    0.991844E+00
  93    0.354497E-04    0.535504E+02 -0.661987E-06 0.100000E-04    0.998428E+00
  94    0.193614E-04    0.522613E+02 -0.370473E-06 0.100000E-04    0.994157E+00
  95    0.329492E-04    0.502999E+02 -0.655056E-06 0.100000E-04    0.998865E+00
  96   -0.948895E-05    0.479890E+02  0.197732E-06 0.100000E-04    0.994166E+00
  97    0.225354E-04    0.434835E+02 -0.518251E-06 0.100000E-04    0.995659E+00
  98   -0.162007E-04    0.399179E+02  0.405851E-06 0.100000E-04    0.994036E+00
  99    0.388887E-04    0.372281E+02 -0.104461E-05 0.100000E-04    0.989713E+00
 100   -0.313305E-04    0.362028E+02  0.865417E-06 0.100000E-04    0.998251E+00
 101   -0.101636E-03    0.350268E+02  0.290165E-05 0.100000E-04    0.996103E+00
 102    0.454944E-04    0.292181E+02 -0.155706E-05 0.100000E-04    0.993782E+00
 103   -0.309928E-04    0.289326E+02  0.107120E-05 0.100000E-04    0.997748E+00
 104    0.414625E-04    0.287272E+02 -0.144332E-05 0.100000E-04    0.999517E+00
 105    0.243963E-04    0.232551E+02 -0.104907E-05 0.100000E-04    0.990846E+00
 106    0.157844E-05    0.219269E+02 -0.719865E-07 0.100000E-04    0.859603E+00
 107    0.103879E-03    0.196169E+02 -0.529536E-05 0.100000E-04    0.996330E+00
 108   -0.806327E-04    0.167202E+02  0.482248E-05 0.100000E-04    0.997993E+00
 109    0.698773E-04    0.138183E+02 -0.505685E-05 0.100000E-04    0.997424E+00
 110    0.823047E-04    0.124809E+02 -0.659445E-05 0.100000E-04    0.991253E+00
 111   -0.202579E-03    0.111529E+02  0.100000E-04 0.100000E-04    0.907966E+00
 112    0.142874E-04    0.948302E+01 -0.150663E-05 0.100000E-04    0.991739E+00
 113   -0.593991E-02    0.760769E+01  0.114481E-04 0.114481E-04    0.228090E+00
 114   -0.299315E+00    0.480910E+01 -0.400000E-03 0.400000E-03    0.181624E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6199996482E-01

 Beginning of optimization cycle  137.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3935840449
 potential> RMS force:                                               0.0282188737   |gradient|=.3012951230    
 Eigenvalues of the Hessian matrix:
   721.70392    671.23410    624.15129    603.88550    589.63755    564.83955 
   563.01312    478.73769    469.46822    462.96904    441.42529    431.33336 
   420.64712    406.08800    398.23767    388.53746    367.01643    363.57544 
   352.33895    342.09207    324.33552    322.25037    318.34478    317.15221 
   305.26379    287.42093    279.79202    271.29305    265.77587    262.42775 
   257.81981    253.45193    243.56658    239.02586    234.65192    228.59284 
   224.00401    212.69142    211.32795    209.43522    203.00322    198.40105 
   195.44838    191.61711    186.15055    177.62956    170.79515    168.04788 
   165.70124    160.46354    153.56584    151.01816    148.82740    142.71341 
   136.92610    134.88497    130.97394    127.66704    125.85061    124.83682 
   119.44124    117.94510    116.53172    112.36429    109.86394    105.42184 
   102.84265    100.34554     97.15562     95.07603     91.07800     90.84417 
    88.60260     84.52071     80.88515     79.22314     78.62865     72.91842 
    71.45232     69.05531     67.79216     63.44383     61.98548     59.65542 
    58.69067     55.83603     53.54743     52.26036     50.29958     47.98817 
    43.47905     39.92060     37.22185     36.20208     35.03424     29.20969 
    28.93083     28.72734     23.25038     21.92745     19.61871     16.72214 
    13.81732     12.47814     11.14153      9.48481      7.60790      4.80851 
overlap for current and previous eigenvector    109 is        -0.9999976814
overlap for current and previous eigenvector    110 is        -0.9999956304
overlap for current and previous eigenvector    111 is         0.9999928468
overlap for current and previous eigenvector    112 is        -0.9999992885
overlap for current and previous eigenvector    113 is        -0.9999991140
overlap for current and previous eigenvector    114 is        -0.9999994214
J1,K1,R1,R2,RAT=   7   7   -0.5986230064E-01     2.059696442        0.9401376994    
FOB,PFOB,DIAG,PSTEP=   -0.2232058205E-06   -0.2105979001E-06     721.7039235        0.2918307070E-09
J1,K1,R1,R2,RAT=   8   8   -0.2015068914E-02     2.001967370        0.9979849311    
FOB,PFOB,DIAG,PSTEP=   -0.1248949632E-05   -0.1246437914E-05     671.2340956        0.1856979033E-08
J1,K1,R1,R2,RAT=   9   9    0.7358422719E-02     1.992579390        0.9925793901    
FOB,PFOB,DIAG,PSTEP=    0.7290036784E-06    0.7344079305E-06     624.1512867       -0.1176687099E-08
J1,K1,R1,R2,RAT=  10  10   -0.7376283646E-02     2.007336942        0.9926237164    
FOB,PFOB,DIAG,PSTEP=    0.1466277417E-05    0.1455540725E-05     603.8855044       -0.2410339951E-08
J1,K1,R1,R2,RAT=  11  11   -0.3598544499E-02     2.003606404        0.9964014555    
FOB,PFOB,DIAG,PSTEP=   -0.9996230007E-06   -0.9960387251E-06     589.6375532        0.1689232318E-08
J1,K1,R1,R2,RAT= 109 109     2.002096637       -0.1948361953E-02    0.9980516380    
FOB,PFOB,DIAG,PSTEP=   -0.7001345610E-04    0.6987731988E-04     13.81732404       -0.5056850336E-05
J1,K1,R1,R2,RAT= 110 110     2.016244368       -0.1580103220E-01    0.9841989678    
FOB,PFOB,DIAG,PSTEP=   -0.8360490817E-04    0.8230469722E-04     12.47813537       -0.6594451373E-05
J1,K1,R1,R2,RAT= 111 111   -0.9390742144E-01     3.730369287        0.9060925786    
FOB,PFOB,DIAG,PSTEP=   -0.2130414700E-03   -0.2025787464E-03     11.14153009        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.964571563        0.3505005067E-01    0.9645715630    
FOB,PFOB,DIAG,PSTEP=   -0.1378649707E-04    0.1428736469E-04     9.484813265       -0.1506626211E-05
J1,K1,R1,R2,RAT= 113 113     137.3707813       -0.9715819400        0.2841805999E-01
FOB,PFOB,DIAG,PSTEP=    0.6024525967E-02   -0.5939905168E-02     7.607900014        0.1144808617E-04
J1,K1,R1,R2,RAT= 114 114    -312.2325255        0.9981662177        0.1833782260E-02
FOB,PFOB,DIAG,PSTEP=    0.3012347051       -0.2993148274         4.808511954       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00001      0.00002      0.00001      0.00000      0.00000     -0.00002 
    -0.00000      0.00000      0.00000      0.00001     -0.00000     -0.00002 
    -0.00001     -0.00002     -0.00002     -0.00002      0.00000     -0.00004 
    -0.00003     -0.00001      0.00001      0.00002      0.00001      0.00001 
    -0.00002      0.00003      0.00000     -0.00000     -0.00003     -0.00001 
    -0.00000      0.00003      0.00004      0.00002     -0.00003      0.00001 
     0.00002     -0.00002      0.00004      0.00003      0.00010      0.00005 
    -0.00003      0.00004     -0.00002      0.00000     -0.00010     -0.00008 
    -0.00007     -0.00008     -0.00021     -0.00001      0.00602      0.30123 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384788741
 Log product of positive Hessian eigenvalues =          520.3722593026
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8085119541
 Unscaled step for mode    7=        0.0000000003
 Unscaled step for mode    8=        0.0000000019
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=       -0.0000000024
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000038
 Unscaled step for mode   17=       -0.0000000036
 Unscaled step for mode   18=       -0.0000000083
 Unscaled step for mode   19=       -0.0000000186
 Unscaled step for mode   20=       -0.0000000208
 Unscaled step for mode   21=       -0.0000000134
 Unscaled step for mode   22=       -0.0000000011
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000271
 Unscaled step for mode   26=        0.0000000436
 Unscaled step for mode   27=        0.0000000236
 Unscaled step for mode   28=        0.0000000138
 Unscaled step for mode   29=        0.0000000240
 Unscaled step for mode   30=        0.0000000306
 Unscaled step for mode   31=        0.0000000094
 Unscaled step for mode   32=        0.0000000028
 Unscaled step for mode   33=       -0.0000000179
 Unscaled step for mode   34=       -0.0000000090
 Unscaled step for mode   35=       -0.0000000547
 Unscaled step for mode   36=       -0.0000000123
 Unscaled step for mode   37=        0.0000000258
 Unscaled step for mode   38=        0.0000000128
 Unscaled step for mode   39=        0.0000000438
 Unscaled step for mode   40=       -0.0000000257
 Unscaled step for mode   41=       -0.0000000323
 Unscaled step for mode   42=        0.0000000139
 Unscaled step for mode   43=       -0.0000000120
 Unscaled step for mode   44=        0.0000000201
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000339
 Unscaled step for mode   47=        0.0000000782
 Unscaled step for mode   48=        0.0000000022
 Unscaled step for mode   49=        0.0000000456
 Unscaled step for mode   50=       -0.0000000321
 Unscaled step for mode   51=        0.0000000333
 Unscaled step for mode   52=       -0.0000000016
 Unscaled step for mode   53=        0.0000000363
 Unscaled step for mode   54=       -0.0000000221
 Unscaled step for mode   55=        0.0000000730
 Unscaled step for mode   56=       -0.0000000267
 Unscaled step for mode   57=       -0.0000000141
 Unscaled step for mode   58=        0.0000000646
 Unscaled step for mode   59=        0.0000000406
 Unscaled step for mode   60=       -0.0000000725
 Unscaled step for mode   61=        0.0000000587
 Unscaled step for mode   62=       -0.0000001648
 Unscaled step for mode   63=       -0.0000001108
 Unscaled step for mode   64=       -0.0000000312
 Unscaled step for mode   65=       -0.0000000065
 Unscaled step for mode   66=        0.0000001288
 Unscaled step for mode   67=        0.0000000107
 Unscaled step for mode   68=       -0.0000000384
 Unscaled step for mode   69=       -0.0000000032
 Unscaled step for mode   70=       -0.0000000778
 Unscaled step for mode   71=        0.0000000046
 Unscaled step for mode   72=        0.0000001974
 Unscaled step for mode   73=        0.0000000858
 Unscaled step for mode   74=        0.0000002266
 Unscaled step for mode   75=        0.0000001778
 Unscaled step for mode   76=        0.0000002053
 Unscaled step for mode   77=       -0.0000000255
 Unscaled step for mode   78=        0.0000004058
 Unscaled step for mode   79=        0.0000003551
 Unscaled step for mode   80=        0.0000001128
 Unscaled step for mode   81=       -0.0000001326
 Unscaled step for mode   82=       -0.0000001927
 Unscaled step for mode   83=       -0.0000001105
 Unscaled step for mode   84=       -0.0000001940
 Unscaled step for mode   85=        0.0000003492
 Unscaled step for mode   86=       -0.0000004497
 Unscaled step for mode   87=       -0.0000000354
 Unscaled step for mode   88=        0.0000000155
 Unscaled step for mode   89=        0.0000004584
 Unscaled step for mode   90=        0.0000002273
 Unscaled step for mode   91=        0.0000000044
 Unscaled step for mode   92=       -0.0000005902
 Unscaled step for mode   93=       -0.0000006647
 Unscaled step for mode   94=       -0.0000003742
 Unscaled step for mode   95=        0.0000006570
 Unscaled step for mode   96=       -0.0000001978
 Unscaled step for mode   97=       -0.0000005223
 Unscaled step for mode   98=        0.0000004083
 Unscaled step for mode   99=       -0.0000010614
 Unscaled step for mode  100=       -0.0000008651
 Unscaled step for mode  101=       -0.0000029133
 Unscaled step for mode  102=       -0.0000015764
 Unscaled step for mode  103=        0.0000010691
 Unscaled step for mode  104=       -0.0000014508
 Unscaled step for mode  105=        0.0000010578
 Unscaled step for mode  106=       -0.0000000817
 Unscaled step for mode  107=        0.0000053261
 Unscaled step for mode  108=        0.0000048022
 Unscaled step for mode  109=        0.0000050671
 Unscaled step for mode  110=        0.0000067001
 Unscaled step for mode  111=        0.0000191214
 Unscaled step for mode  112=        0.0000014535
 Unscaled step for mode  113=       -0.0007918772
 Unscaled step for mode  114=        0.0624021922
 Largest modulus ratio of non-zero e/values=           150.0888280    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.271918E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.585469E-16    0.100759E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.935883E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.191687E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.513350E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.822367E-16    0.973574E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.223206E-06    0.721704E+03  0.309276E-09 0.100000E-04    0.940138E+00
   8   -0.124895E-05    0.671234E+03  0.186068E-08 0.100000E-04    0.997985E+00
   9    0.729004E-06    0.624151E+03 -0.116799E-08 0.100000E-04    0.992579E+00
  10    0.146628E-05    0.603886E+03 -0.242807E-08 0.100000E-04    0.992624E+00
  11   -0.999623E-06    0.589638E+03  0.169532E-08 0.100000E-04    0.996401E+00
  12    0.307262E-05    0.564840E+03 -0.543981E-08 0.100000E-04    0.998912E+00
  13    0.135671E-05    0.563013E+03 -0.240974E-08 0.100000E-04    0.992091E+00
  14   -0.568915E-05    0.478738E+03  0.118836E-07 0.100000E-04    0.998783E+00
  15    0.173930E-05    0.469468E+03 -0.370484E-08 0.100000E-04    0.995530E+00
  16    0.177904E-05    0.462969E+03 -0.384268E-08 0.100000E-04    0.986287E+00
  17    0.159787E-05    0.441425E+03 -0.361980E-08 0.100000E-04    0.983151E+00
  18    0.359822E-05    0.431333E+03 -0.834208E-08 0.100000E-04    0.997324E+00
  19    0.783835E-05    0.420647E+03 -0.186340E-07 0.100000E-04    0.993741E+00
  20    0.843211E-05    0.406088E+03 -0.207642E-07 0.100000E-04    0.996912E+00
  21    0.533079E-05    0.398238E+03 -0.133859E-07 0.100000E-04    0.994302E+00
  22    0.414889E-06    0.388537E+03 -0.106782E-08 0.100000E-04    0.932608E+00
  23   -0.177916E-05    0.367016E+03  0.484763E-08 0.100000E-04    0.998302E+00
  24    0.185122E-05    0.363575E+03 -0.509170E-08 0.100000E-04    0.997772E+00
  25   -0.955449E-05    0.352339E+03  0.271173E-07 0.100000E-04    0.994335E+00
  26   -0.149125E-04    0.342092E+03  0.435921E-07 0.100000E-04    0.993088E+00
  27   -0.766843E-05    0.324336E+03  0.236435E-07 0.100000E-04    0.995075E+00
  28   -0.444592E-05    0.322250E+03  0.137965E-07 0.100000E-04    0.988682E+00
  29   -0.762901E-05    0.318345E+03  0.239646E-07 0.100000E-04    0.988812E+00
  30   -0.972041E-05    0.317152E+03  0.306490E-07 0.100000E-04    0.980414E+00
  31   -0.288349E-05    0.305264E+03  0.944588E-08 0.100000E-04    0.991928E+00
  32   -0.790946E-06    0.287421E+03  0.275187E-08 0.100000E-04    0.969875E+00
  33    0.501503E-05    0.279792E+03 -0.179241E-07 0.100000E-04    0.992435E+00
  34    0.245057E-05    0.271293E+03 -0.903292E-08 0.100000E-04    0.986595E+00
  35    0.145320E-04    0.265776E+03 -0.546778E-07 0.100000E-04    0.995260E+00
  36    0.321648E-05    0.262428E+03 -0.122566E-07 0.100000E-04    0.985392E+00
  37   -0.664811E-05    0.257820E+03  0.257859E-07 0.100000E-04    0.992932E+00
  38   -0.323391E-05    0.253452E+03  0.127594E-07 0.100000E-04    0.998764E+00
  39   -0.106763E-04    0.243567E+03  0.438331E-07 0.100000E-04    0.993823E+00
  40    0.614816E-05    0.239026E+03 -0.257217E-07 0.100000E-04    0.989663E+00
  41    0.757170E-05    0.234652E+03 -0.322678E-07 0.100000E-04    0.987804E+00
  42   -0.317978E-05    0.228593E+03  0.139102E-07 0.100000E-04    0.991781E+00
  43    0.268764E-05    0.224004E+03 -0.119982E-07 0.100000E-04    0.992622E+00
  44   -0.428138E-05    0.212691E+03  0.201296E-07 0.100000E-04    0.990190E+00
  45    0.373279E-05    0.211328E+03 -0.176635E-07 0.100000E-04    0.997262E+00
  46    0.710573E-05    0.209435E+03 -0.339281E-07 0.100000E-04    0.992879E+00
  47   -0.158736E-04    0.203003E+03  0.781937E-07 0.100000E-04    0.994500E+00
  48   -0.438262E-06    0.198401E+03  0.220897E-08 0.100000E-04    0.962643E+00
  49   -0.891680E-05    0.195448E+03  0.456223E-07 0.100000E-04    0.993242E+00
  50    0.615498E-05    0.191617E+03 -0.321212E-07 0.100000E-04    0.990885E+00
  51   -0.618980E-05    0.186151E+03  0.332516E-07 0.100000E-04    0.995162E+00
  52    0.292279E-06    0.177630E+03 -0.164544E-08 0.100000E-04    0.991037E+00
  53   -0.620196E-05    0.170795E+03  0.363123E-07 0.100000E-04    0.996165E+00
  54    0.371897E-05    0.168048E+03 -0.221304E-07 0.100000E-04    0.990988E+00
  55   -0.121020E-04    0.165701E+03  0.730349E-07 0.100000E-04    0.995226E+00
  56    0.427939E-05    0.160464E+03 -0.266689E-07 0.100000E-04    0.992833E+00
  57    0.215790E-05    0.153566E+03 -0.140519E-07 0.100000E-04    0.993225E+00
  58   -0.975801E-05    0.151018E+03  0.646148E-07 0.100000E-04    0.992550E+00
  59   -0.603726E-05    0.148827E+03  0.405655E-07 0.100000E-04    0.998998E+00
  60    0.103457E-04    0.142713E+03 -0.724927E-07 0.100000E-04    0.996058E+00
  61   -0.804035E-05    0.136926E+03  0.587204E-07 0.100000E-04    0.990610E+00
  62    0.222257E-04    0.134885E+03 -0.164776E-06 0.100000E-04    0.994904E+00
  63    0.145125E-04    0.130974E+03 -0.110805E-06 0.100000E-04    0.993040E+00
  64    0.398323E-05    0.127667E+03 -0.312002E-07 0.100000E-04    0.987858E+00
  65    0.824316E-06    0.125851E+03 -0.654995E-08 0.100000E-04    0.991062E+00
  66   -0.160765E-04    0.124837E+03  0.128780E-06 0.100000E-04    0.993301E+00
  67   -0.127543E-05    0.119441E+03  0.106783E-07 0.100000E-04    0.996000E+00
  68    0.453398E-05    0.117945E+03 -0.384414E-07 0.100000E-04    0.992212E+00
  69    0.372469E-06    0.116532E+03 -0.319629E-08 0.100000E-04    0.908958E+00
  70    0.874037E-05    0.112364E+03 -0.777860E-07 0.100000E-04    0.992932E+00
  71   -0.510163E-06    0.109864E+03  0.464359E-08 0.100000E-04    0.957446E+00
  72   -0.208060E-04    0.105422E+03  0.197360E-06 0.100000E-04    0.991098E+00
  73   -0.882049E-05    0.102843E+03  0.857669E-07 0.100000E-04    0.989746E+00
  74   -0.227359E-04    0.100346E+03  0.226576E-06 0.100000E-04    0.994228E+00
  75   -0.172707E-04    0.971556E+02  0.177763E-06 0.100000E-04    0.991075E+00
  76   -0.195228E-04    0.950760E+02  0.205339E-06 0.100000E-04    0.993955E+00
  77    0.232292E-05    0.910780E+02 -0.255047E-07 0.100000E-04    0.936164E+00
  78   -0.368622E-04    0.908442E+02  0.405775E-06 0.100000E-04    0.994222E+00
  79   -0.314605E-04    0.886026E+02  0.355075E-06 0.100000E-04    0.997923E+00
  80   -0.952982E-05    0.845207E+02  0.112751E-06 0.100000E-04    0.992368E+00
  81    0.107283E-04    0.808851E+02 -0.132637E-06 0.100000E-04    0.993147E+00
  82    0.152638E-04    0.792231E+02 -0.192669E-06 0.100000E-04    0.998339E+00
  83    0.868576E-05    0.786286E+02 -0.110466E-06 0.100000E-04    0.999918E+00
  84    0.141454E-04    0.729184E+02 -0.193989E-06 0.100000E-04    0.989584E+00
  85   -0.249503E-04    0.714523E+02  0.349188E-06 0.100000E-04    0.992769E+00
  86    0.310554E-04    0.690553E+02 -0.449717E-06 0.100000E-04    0.995404E+00
  87    0.240017E-05    0.677922E+02 -0.354048E-07 0.100000E-04    0.955730E+00
  88   -0.985247E-06    0.634438E+02  0.155294E-07 0.100000E-04    0.937120E+00
  89   -0.284117E-04    0.619855E+02  0.458361E-06 0.100000E-04    0.993422E+00
  90   -0.135624E-04    0.596554E+02  0.227346E-06 0.100000E-04    0.990133E+00
  91   -0.261031E-06    0.586907E+02  0.444757E-08 0.100000E-04    0.918821E+00
  92    0.329565E-04    0.558360E+02 -0.590238E-06 0.100000E-04    0.993561E+00
  93    0.355930E-04    0.535474E+02 -0.664700E-06 0.100000E-04    0.995957E+00
  94    0.195554E-04    0.522604E+02 -0.374193E-06 0.100000E-04    0.989978E+00
  95   -0.330470E-04    0.502996E+02  0.657003E-06 0.100000E-04    0.997034E+00
  96    0.949349E-05    0.479882E+02 -0.197830E-06 0.100000E-04    0.999521E+00
  97    0.227099E-04    0.434790E+02 -0.522318E-06 0.100000E-04    0.992255E+00
  98   -0.163002E-04    0.399206E+02  0.408317E-06 0.100000E-04    0.993856E+00
  99    0.395084E-04    0.372218E+02 -0.106143E-05 0.100000E-04    0.984064E+00
 100    0.313175E-04    0.362021E+02 -0.865074E-06 0.100000E-04    0.999584E+00
 101    0.102066E-03    0.350342E+02 -0.291333E-05 0.100000E-04    0.995762E+00
 102    0.460455E-04    0.292097E+02 -0.157638E-05 0.100000E-04    0.987882E+00
 103   -0.309310E-04    0.289308E+02  0.106914E-05 0.100000E-04    0.998007E+00
 104    0.416785E-04    0.287273E+02 -0.145083E-05 0.100000E-04    0.994792E+00
 105   -0.245931E-04    0.232504E+02  0.105775E-05 0.100000E-04    0.991928E+00
 106    0.179189E-05    0.219274E+02 -0.817189E-07 0.100000E-04    0.864776E+00
 107   -0.104492E-03    0.196187E+02  0.532612E-05 0.100000E-04    0.994100E+00
 108   -0.803039E-04    0.167221E+02  0.480225E-05 0.100000E-04    0.995689E+00
 109   -0.700135E-04    0.138173E+02  0.506708E-05 0.100000E-04    0.998052E+00
 110   -0.836049E-04    0.124781E+02  0.670011E-05 0.100000E-04    0.984199E+00
 111   -0.213041E-03    0.111415E+02  0.100000E-04 0.100000E-04    0.906093E+00
 112   -0.137865E-04    0.948481E+01  0.145353E-05 0.100000E-04    0.964572E+00
 113    0.602453E-02    0.760790E+01 -0.124784E-04 0.124784E-04    0.284181E-01
 114    0.301235E+00    0.480851E+01  0.400000E-03 0.400000E-03    0.183378E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6240219218E-01

 Beginning of optimization cycle  138.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3934632439
 potential> RMS force:                                               0.0283987701   |gradient|=.3032158911    
 Eigenvalues of the Hessian matrix:
   721.76374    671.24998    624.17057    603.89738    589.63507    564.86015 
   563.05147    478.75526    469.44553    462.95834    441.42324    431.32343 
   420.65489    406.09888    398.23385    388.54126    367.01869    363.56519 
   352.33004    342.05319    324.34146    322.23557    318.33934    317.15654 
   305.26080    287.42401    279.78762    271.28699    265.77683    262.43677 
   257.82454    253.45382    243.55485    239.01327    234.66350    228.59515 
   223.98512    212.69124    211.33314    209.42301    203.00604    198.39667 
   195.45053    191.61685    186.14300    177.61496    170.79853    168.04514 
   165.69991    160.45911    153.56279    151.01714    148.83336    142.71713 
   136.92652    134.89006    130.97277    127.66660    125.85393    124.84339 
   119.44198    117.94506    116.53524    112.35687    109.85448    105.41803 
   102.84345    100.34126     97.15298     95.07687     91.07203     90.85126 
    88.61417     84.52232     80.88528     79.22674     78.62652     72.91577 
    71.45551     69.04608     67.79478     63.44245     61.97765     59.65529 
    58.69365     55.83666     53.54440     52.25942     50.29924     47.98727 
    43.47457     39.92329     37.21566     36.20123     35.04169     29.20133 
    28.92901     28.72752     23.24573     21.92803     19.62053     16.72406 
    13.81631     12.47541     11.13013      9.48661      7.60808      4.80789 
overlap for current and previous eigenvector    109 is         0.9999977095
overlap for current and previous eigenvector    110 is         0.9999957253
overlap for current and previous eigenvector    111 is         0.9999929414
overlap for current and previous eigenvector    112 is         0.9999992718
overlap for current and previous eigenvector    113 is         0.9999991086
overlap for current and previous eigenvector    114 is         0.9999994250
J1,K1,R1,R2,RAT=   7   7   -0.4232203725E-01     2.042156296        0.9576779627    
FOB,PFOB,DIAG,PSTEP=   -0.2326531284E-06   -0.2232058205E-06     721.7637366        0.3092761633E-09
J1,K1,R1,R2,RAT=   8   8   -0.2032073406E-01     2.020273419        0.9796792659    
FOB,PFOB,DIAG,PSTEP=   -0.1274329806E-05   -0.1248949632E-05     671.2499758        0.1860676686E-08
J1,K1,R1,R2,RAT=   9   9   -0.1077330305E-01     2.010711512        0.9892266970    
FOB,PFOB,DIAG,PSTEP=    0.7368576986E-06    0.7290036784E-06     624.1705709       -0.1167991950E-08
J1,K1,R1,R2,RAT=  10  10    0.2408222160E-02     1.997552461        0.9975524607    
FOB,PFOB,DIAG,PSTEP=    0.1462746226E-05    0.1466277417E-05     603.8973762       -0.2428071889E-08
J1,K1,R1,R2,RAT=  11  11    0.7590285697E-04     1.999932533        0.9999240971    
FOB,PFOB,DIAG,PSTEP=   -0.9995471267E-06   -0.9996230007E-06     589.6350662        0.1695317734E-08
J1,K1,R1,R2,RAT= 109 109   -0.2478007454E-02     2.002624801        0.9975219925    
FOB,PFOB,DIAG,PSTEP=   -0.7018693723E-04   -0.7001345610E-04     13.81630997        0.5067077814E-05
J1,K1,R1,R2,RAT= 110 110   -0.8546704791E-02     2.008984422        0.9914532952    
FOB,PFOB,DIAG,PSTEP=   -0.8431929829E-04   -0.8360490817E-04     12.47540503        0.6700112290E-05
J1,K1,R1,R2,RAT= 111 111   -0.1020020905         3.930196528        0.8979979095    
FOB,PFOB,DIAG,PSTEP=   -0.2243944332E-03   -0.2130414700E-03     11.13012797        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.8160654314E-02     1.991460816        0.9914608161    
FOB,PFOB,DIAG,PSTEP=   -0.1367396894E-04   -0.1378649707E-04     9.486608746        0.1453533843E-05
J1,K1,R1,R2,RAT= 113 113   -0.8086627388         127.7252981        0.1913372612    
FOB,PFOB,DIAG,PSTEP=    0.6101297773E-02    0.6024525967E-02     7.608077685       -0.1247841393E-04
J1,K1,R1,R2,RAT= 114 114    0.9981553608        -314.2696906        0.1844639243E-02
FOB,PFOB,DIAG,PSTEP=    0.3031543116        0.3012347051         4.807885032        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
    -0.00001      0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00001      0.00002      0.00001      0.00000      0.00000     -0.00002 
    -0.00000     -0.00000     -0.00000      0.00001     -0.00000     -0.00002 
    -0.00001     -0.00002     -0.00002     -0.00002      0.00000     -0.00004 
    -0.00003     -0.00001      0.00001     -0.00002      0.00001      0.00001 
    -0.00003      0.00003      0.00000     -0.00000     -0.00003     -0.00001 
    -0.00000      0.00003      0.00004      0.00002     -0.00003      0.00001 
     0.00002     -0.00002      0.00004      0.00003      0.00010      0.00005 
    -0.00003      0.00004     -0.00002      0.00000     -0.00010     -0.00008 
    -0.00007     -0.00008     -0.00022     -0.00001      0.00610      0.30315 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384992011
 Log product of positive Hessian eigenvalues =          520.3703131203
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8078850322
 Unscaled step for mode    7=        0.0000000003
 Unscaled step for mode    8=        0.0000000019
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=       -0.0000000024
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000039
 Unscaled step for mode   17=       -0.0000000036
 Unscaled step for mode   18=       -0.0000000084
 Unscaled step for mode   19=       -0.0000000187
 Unscaled step for mode   20=       -0.0000000208
 Unscaled step for mode   21=       -0.0000000134
 Unscaled step for mode   22=       -0.0000000011
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000273
 Unscaled step for mode   26=        0.0000000439
 Unscaled step for mode   27=        0.0000000238
 Unscaled step for mode   28=        0.0000000137
 Unscaled step for mode   29=        0.0000000238
 Unscaled step for mode   30=        0.0000000313
 Unscaled step for mode   31=        0.0000000096
 Unscaled step for mode   32=        0.0000000028
 Unscaled step for mode   33=       -0.0000000180
 Unscaled step for mode   34=       -0.0000000091
 Unscaled step for mode   35=       -0.0000000550
 Unscaled step for mode   36=       -0.0000000124
 Unscaled step for mode   37=        0.0000000260
 Unscaled step for mode   38=        0.0000000128
 Unscaled step for mode   39=        0.0000000441
 Unscaled step for mode   40=       -0.0000000261
 Unscaled step for mode   41=       -0.0000000327
 Unscaled step for mode   42=        0.0000000141
 Unscaled step for mode   43=       -0.0000000122
 Unscaled step for mode   44=        0.0000000206
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000343
 Unscaled step for mode   47=        0.0000000788
 Unscaled step for mode   48=        0.0000000021
 Unscaled step for mode   49=        0.0000000460
 Unscaled step for mode   50=       -0.0000000322
 Unscaled step for mode   51=        0.0000000335
 Unscaled step for mode   52=       -0.0000000016
 Unscaled step for mode   53=        0.0000000365
 Unscaled step for mode   54=       -0.0000000224
 Unscaled step for mode   55=        0.0000000735
 Unscaled step for mode   56=       -0.0000000267
 Unscaled step for mode   57=       -0.0000000142
 Unscaled step for mode   58=        0.0000000650
 Unscaled step for mode   59=        0.0000000408
 Unscaled step for mode   60=       -0.0000000731
 Unscaled step for mode   61=        0.0000000591
 Unscaled step for mode   62=       -0.0000001655
 Unscaled step for mode   63=       -0.0000001112
 Unscaled step for mode   64=       -0.0000000317
 Unscaled step for mode   65=       -0.0000000063
 Unscaled step for mode   66=        0.0000001294
 Unscaled step for mode   67=        0.0000000109
 Unscaled step for mode   68=        0.0000000387
 Unscaled step for mode   69=        0.0000000033
 Unscaled step for mode   70=       -0.0000000787
 Unscaled step for mode   71=        0.0000000048
 Unscaled step for mode   72=        0.0000001985
 Unscaled step for mode   73=        0.0000000867
 Unscaled step for mode   74=        0.0000002275
 Unscaled step for mode   75=        0.0000001797
 Unscaled step for mode   76=        0.0000002067
 Unscaled step for mode   77=       -0.0000000278
 Unscaled step for mode   78=        0.0000004089
 Unscaled step for mode   79=        0.0000003553
 Unscaled step for mode   80=        0.0000001138
 Unscaled step for mode   81=       -0.0000001334
 Unscaled step for mode   82=        0.0000001925
 Unscaled step for mode   83=       -0.0000001112
 Unscaled step for mode   84=       -0.0000001953
 Unscaled step for mode   85=        0.0000003507
 Unscaled step for mode   86=       -0.0000004516
 Unscaled step for mode   87=       -0.0000000331
 Unscaled step for mode   88=        0.0000000155
 Unscaled step for mode   89=        0.0000004609
 Unscaled step for mode   90=        0.0000002281
 Unscaled step for mode   91=        0.0000000041
 Unscaled step for mode   92=       -0.0000005950
 Unscaled step for mode   93=       -0.0000006657
 Unscaled step for mode   94=       -0.0000003764
 Unscaled step for mode   95=        0.0000006577
 Unscaled step for mode   96=       -0.0000001990
 Unscaled step for mode   97=       -0.0000005246
 Unscaled step for mode   98=        0.0000004107
 Unscaled step for mode   99=       -0.0000010725
 Unscaled step for mode  100=       -0.0000008632
 Unscaled step for mode  101=       -0.0000029237
 Unscaled step for mode  102=       -0.0000015872
 Unscaled step for mode  103=        0.0000010657
 Unscaled step for mode  104=       -0.0000014515
 Unscaled step for mode  105=        0.0000010674
 Unscaled step for mode  106=       -0.0000000701
 Unscaled step for mode  107=        0.0000053447
 Unscaled step for mode  108=        0.0000047924
 Unscaled step for mode  109=        0.0000050800
 Unscaled step for mode  110=        0.0000067588
 Unscaled step for mode  111=        0.0000201610
 Unscaled step for mode  112=        0.0000014414
 Unscaled step for mode  113=       -0.0008019495
 Unscaled step for mode  114=        0.0628048575
 Largest modulus ratio of non-zero e/values=           150.1208394    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.865410E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.544812E-15    0.100759E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.582790E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.667869E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.743803E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.168986E-15    0.973576E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.232653E-06    0.721764E+03  0.322340E-09 0.100000E-04    0.957678E+00
   8   -0.127433E-05    0.671250E+03  0.189844E-08 0.100000E-04    0.979679E+00
   9    0.736858E-06    0.624171E+03 -0.118054E-08 0.100000E-04    0.989227E+00
  10    0.146275E-05    0.603897E+03 -0.242218E-08 0.100000E-04    0.997552E+00
  11   -0.999547E-06    0.589635E+03  0.169520E-08 0.100000E-04    0.999924E+00
  12    0.308666E-05    0.564860E+03 -0.546447E-08 0.100000E-04    0.995431E+00
  13    0.132424E-05    0.563051E+03 -0.235190E-08 0.100000E-04    0.975932E+00
  14   -0.568798E-05    0.478755E+03  0.118808E-07 0.100000E-04    0.999721E+00
  15    0.175006E-05    0.469446E+03 -0.372793E-08 0.100000E-04    0.993814E+00
  16    0.179140E-05    0.462958E+03 -0.386946E-08 0.100000E-04    0.993054E+00
  17    0.160453E-05    0.441423E+03 -0.363491E-08 0.100000E-04    0.995829E+00
  18    0.361642E-05    0.431323E+03 -0.838448E-08 0.100000E-04    0.994941E+00
  19    0.787962E-05    0.420655E+03 -0.187318E-07 0.100000E-04    0.994736E+00
  20    0.844121E-05    0.406099E+03 -0.207861E-07 0.100000E-04    0.998921E+00
  21    0.535264E-05    0.398234E+03 -0.134409E-07 0.100000E-04    0.995901E+00
  22    0.435396E-06    0.388541E+03 -0.112059E-08 0.100000E-04    0.950571E+00
  23   -0.177011E-05    0.367019E+03  0.482293E-08 0.100000E-04    0.994898E+00
  24    0.184843E-05    0.363565E+03 -0.508419E-08 0.100000E-04    0.998495E+00
  25   -0.961209E-05    0.352330E+03  0.272815E-07 0.100000E-04    0.993971E+00
  26   -0.150117E-04    0.342053E+03  0.438869E-07 0.100000E-04    0.993351E+00
  27   -0.771634E-05    0.324341E+03  0.237908E-07 0.100000E-04    0.993753E+00
  28   -0.440024E-05    0.322236E+03  0.136553E-07 0.100000E-04    0.989724E+00
  29   -0.756523E-05    0.318339E+03  0.237647E-07 0.100000E-04    0.991639E+00
  30   -0.991548E-05    0.317157E+03  0.312637E-07 0.100000E-04    0.979932E+00
  31   -0.292794E-05    0.305261E+03  0.959160E-08 0.100000E-04    0.984583E+00
  32   -0.807044E-06    0.287424E+03  0.280785E-08 0.100000E-04    0.979648E+00
  33    0.504050E-05    0.279788E+03 -0.180155E-07 0.100000E-04    0.994921E+00
  34    0.246287E-05    0.271287E+03 -0.907846E-08 0.100000E-04    0.994981E+00
  35    0.146242E-04    0.265777E+03 -0.550243E-07 0.100000E-04    0.993660E+00
  36    0.325556E-05    0.262437E+03 -0.124051E-07 0.100000E-04    0.987852E+00
  37   -0.670004E-05    0.257825E+03  0.259868E-07 0.100000E-04    0.992189E+00
  38   -0.325457E-05    0.253454E+03  0.128409E-07 0.100000E-04    0.993609E+00
  39   -0.107309E-04    0.243555E+03  0.440595E-07 0.100000E-04    0.994883E+00
  40    0.622637E-05    0.239013E+03 -0.260503E-07 0.100000E-04    0.987279E+00
  41    0.766369E-05    0.234664E+03 -0.326582E-07 0.100000E-04    0.987852E+00
  42   -0.321185E-05    0.228595E+03  0.140504E-07 0.100000E-04    0.989914E+00
  43    0.272545E-05    0.223985E+03 -0.121680E-07 0.100000E-04    0.985933E+00
  44   -0.438232E-05    0.212691E+03  0.206041E-07 0.100000E-04    0.976426E+00
  45    0.372917E-05    0.211333E+03 -0.176459E-07 0.100000E-04    0.998980E+00
  46    0.718838E-05    0.209423E+03 -0.343247E-07 0.100000E-04    0.988368E+00
  47   -0.159949E-04    0.203006E+03  0.787904E-07 0.100000E-04    0.992355E+00
  48   -0.418650E-06    0.198397E+03  0.211017E-08 0.100000E-04    0.955248E+00
  49   -0.900005E-05    0.195451E+03  0.460477E-07 0.100000E-04    0.990663E+00
  50    0.616752E-05    0.191617E+03 -0.321867E-07 0.100000E-04    0.997963E+00
  51   -0.624486E-05    0.186143E+03  0.335487E-07 0.100000E-04    0.991105E+00
  52    0.284747E-06    0.177615E+03 -0.160317E-08 0.100000E-04    0.974228E+00
  53   -0.624047E-05    0.170799E+03  0.365370E-07 0.100000E-04    0.993791E+00
  54    0.377219E-05    0.168045E+03 -0.224475E-07 0.100000E-04    0.985691E+00
  55   -0.121741E-04    0.165700E+03  0.734709E-07 0.100000E-04    0.994038E+00
  56    0.428800E-05    0.160459E+03 -0.267233E-07 0.100000E-04    0.997989E+00
  57    0.218340E-05    0.153563E+03 -0.142183E-07 0.100000E-04    0.988184E+00
  58   -0.981616E-05    0.151017E+03  0.650003E-07 0.100000E-04    0.994041E+00
  59   -0.607972E-05    0.148833E+03  0.408492E-07 0.100000E-04    0.992968E+00
  60    0.104350E-04    0.142717E+03 -0.731164E-07 0.100000E-04    0.991371E+00
  61   -0.808987E-05    0.136927E+03  0.590818E-07 0.100000E-04    0.993841E+00
  62    0.223214E-04    0.134890E+03 -0.165479E-06 0.100000E-04    0.995696E+00
  63    0.145673E-04    0.130973E+03 -0.111224E-06 0.100000E-04    0.996224E+00
  64    0.404213E-05    0.127667E+03 -0.316616E-07 0.100000E-04    0.985213E+00
  65    0.792641E-06    0.125854E+03 -0.629810E-08 0.100000E-04    0.961523E+00
  66   -0.161563E-04    0.124843E+03  0.129413E-06 0.100000E-04    0.995034E+00
  67   -0.129692E-05    0.119442E+03  0.108581E-07 0.100000E-04    0.983152E+00
  68   -0.456318E-05    0.117945E+03  0.386891E-07 0.100000E-04    0.993559E+00
  69   -0.389232E-06    0.116535E+03  0.334004E-08 0.100000E-04    0.954996E+00
  70    0.884023E-05    0.112357E+03 -0.786800E-07 0.100000E-04    0.988574E+00
  71   -0.523611E-06    0.109854E+03  0.476640E-08 0.100000E-04    0.973638E+00
  72   -0.209293E-04    0.105418E+03  0.198536E-06 0.100000E-04    0.994075E+00
  73   -0.892046E-05    0.102843E+03  0.867383E-07 0.100000E-04    0.988666E+00
  74   -0.228233E-04    0.100341E+03  0.227457E-06 0.100000E-04    0.996156E+00
  75   -0.174618E-04    0.971530E+02  0.179735E-06 0.100000E-04    0.988936E+00
  76   -0.196509E-04    0.950769E+02  0.206684E-06 0.100000E-04    0.993443E+00
  77    0.252900E-05    0.910720E+02 -0.277693E-07 0.100000E-04    0.911275E+00
  78   -0.371446E-04    0.908513E+02  0.408851E-06 0.100000E-04    0.992341E+00
  79   -0.314847E-04    0.886142E+02  0.355300E-06 0.100000E-04    0.999234E+00
  80   -0.961633E-05    0.845223E+02  0.113773E-06 0.100000E-04    0.990923E+00
  81    0.107868E-04    0.808853E+02 -0.133360E-06 0.100000E-04    0.994547E+00
  82   -0.152525E-04    0.792267E+02  0.192517E-06 0.100000E-04    0.999166E+00
  83    0.874618E-05    0.786265E+02 -0.111237E-06 0.100000E-04    0.993043E+00
  84    0.142369E-04    0.729158E+02 -0.195251E-06 0.100000E-04    0.993530E+00
  85   -0.250568E-04    0.714555E+02  0.350663E-06 0.100000E-04    0.995730E+00
  86    0.311831E-04    0.690461E+02 -0.451627E-06 0.100000E-04    0.995886E+00
  87    0.224111E-05    0.677948E+02 -0.330573E-07 0.100000E-04    0.933657E+00
  88   -0.985015E-06    0.634424E+02  0.155261E-07 0.100000E-04    0.999765E+00
  89   -0.285631E-04    0.619776E+02  0.460861E-06 0.100000E-04    0.994671E+00
  90   -0.136045E-04    0.596553E+02  0.228053E-06 0.100000E-04    0.996895E+00
  91   -0.243067E-06    0.586937E+02  0.414129E-08 0.100000E-04    0.931085E+00
  92    0.332203E-04    0.558367E+02 -0.594954E-06 0.100000E-04    0.991998E+00
  93    0.356457E-04    0.535444E+02 -0.665722E-06 0.100000E-04    0.998520E+00
  94    0.196685E-04    0.522594E+02 -0.376363E-06 0.100000E-04    0.994219E+00
  95   -0.330812E-04    0.502992E+02  0.657687E-06 0.100000E-04    0.998966E+00
  96    0.954798E-05    0.479873E+02 -0.198969E-06 0.100000E-04    0.994260E+00
  97    0.228070E-04    0.434746E+02 -0.524606E-06 0.100000E-04    0.995724E+00
  98   -0.163967E-04    0.399233E+02  0.410705E-06 0.100000E-04    0.994083E+00
  99    0.399135E-04    0.372157E+02 -0.107249E-05 0.100000E-04    0.989745E+00
 100    0.312497E-04    0.362012E+02 -0.863221E-06 0.100000E-04    0.997835E+00
 101    0.102452E-03    0.350417E+02 -0.292372E-05 0.100000E-04    0.996223E+00
 102    0.463471E-04    0.292013E+02 -0.158716E-05 0.100000E-04    0.993449E+00
 103   -0.308283E-04    0.289290E+02  0.106565E-05 0.100000E-04    0.996679E+00
 104    0.416968E-04    0.287275E+02 -0.145146E-05 0.100000E-04    0.999561E+00
 105   -0.248133E-04    0.232457E+02  0.106744E-05 0.100000E-04    0.991045E+00
 106    0.153703E-05    0.219280E+02 -0.700941E-07 0.100000E-04    0.857720E+00
 107   -0.104865E-03    0.196205E+02  0.534466E-05 0.100000E-04    0.996427E+00
 108   -0.801482E-04    0.167241E+02  0.479239E-05 0.100000E-04    0.997832E+00
 109   -0.701869E-04    0.138163E+02  0.508001E-05 0.100000E-04    0.997522E+00
 110   -0.843193E-04    0.124754E+02  0.675884E-05 0.100000E-04    0.991453E+00
 111   -0.224394E-03    0.111301E+02  0.100000E-04 0.100000E-04    0.897998E+00
 112   -0.136740E-04    0.948661E+01  0.144140E-05 0.100000E-04    0.991461E+00
 113    0.610130E-02    0.760808E+01 -0.136015E-04 0.136015E-04    0.191337E+00
 114    0.303154E+00    0.480789E+01  0.400000E-03 0.400000E-03    0.184464E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6280485754E-01

 Beginning of optimization cycle  139.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3933416828
 potential> RMS force:                                               0.0285786246   |gradient|=.3051362116    
 Eigenvalues of the Hessian matrix:
   721.82351    671.26573    624.18974    603.90925    589.63241    564.88081 
   563.08981    478.77286    469.42283    462.94770    441.42124    431.31359 
   420.66270    406.10979    398.23004    388.54506    367.02102    363.55493 
   352.32122    342.01443    324.34745    322.22098    318.33434    317.16020 
   305.25780    287.42713    279.78320    271.28100    265.77787    262.44587 
   257.82943    253.45574    243.54323    239.00070    234.67514    228.59747 
   223.96624    212.69120    211.33839    209.41074    203.00890    198.39232 
   195.45267    191.61659    186.13541    177.60035    170.80193    168.04240 
   165.69858    160.45462    153.55983    151.01613    148.83924    142.72082 
   136.92695    134.89520    130.97155    127.66617    125.85722    124.84994 
   119.44273    117.94503    116.53873    112.34943    109.84495    105.41419 
   102.84425    100.33699     97.15027     95.07769     91.06609     90.85839 
    88.62573     84.52395     80.88543     79.23035     78.62439     72.91313 
    71.45867     69.03682     67.79731     63.44110     61.96971     59.65516 
    58.69661     55.83728     53.54132     52.25848     50.29889     47.98634 
    43.47009     39.92595     37.20954     36.20021     35.04910     29.19302 
    28.92715     28.72768     23.24111     21.92860     19.62236     16.72595 
    13.81531     12.47271     11.11867      9.48841      7.60822      4.80722 
overlap for current and previous eigenvector    109 is        -0.9999977374
overlap for current and previous eigenvector    110 is         0.9999958209
overlap for current and previous eigenvector    111 is         0.9999930359
overlap for current and previous eigenvector    112 is         0.9999992541
overlap for current and previous eigenvector    113 is         0.9999991027
overlap for current and previous eigenvector    114 is        -0.9999994283
J1,K1,R1,R2,RAT=   7   7   -0.3959405343E-01     2.039428430        0.9604059466    
FOB,PFOB,DIAG,PSTEP=   -0.2418655717E-06   -0.2326531284E-06     721.8235121        0.3223397306E-09
J1,K1,R1,R2,RAT=   8   8   -0.2068587037E-01     2.020638939        0.9793141296    
FOB,PFOB,DIAG,PSTEP=   -0.1300691046E-05   -0.1274329806E-05     671.2657274        0.1898442983E-08
J1,K1,R1,R2,RAT=   9   9   -0.1097256106E-01     2.010911153        0.9890274389    
FOB,PFOB,DIAG,PSTEP=    0.7449431630E-06    0.7368576986E-06     624.1897362       -0.1180538995E-08
J1,K1,R1,R2,RAT=  10  10    0.2682712061E-02     1.997277967        0.9972779669    
FOB,PFOB,DIAG,PSTEP=    0.1458822022E-05    0.1462746226E-05     603.9092494       -0.2422176820E-08
J1,K1,R1,R2,RAT=  11  11    0.4488509418E-03     1.999560172        0.9995511491    
FOB,PFOB,DIAG,PSTEP=   -0.9990984811E-06   -0.9995471267E-06     589.6324061        0.1695196205E-08
J1,K1,R1,R2,RAT= 109 109     2.002699285       -0.2553900482E-02    0.9974460995    
FOB,PFOB,DIAG,PSTEP=    0.7036617466E-04   -0.7018693723E-04     13.81530570        0.5080005978E-05
J1,K1,R1,R2,RAT= 110 110   -0.7698560409E-02     2.008130800        0.9923014396    
FOB,PFOB,DIAG,PSTEP=   -0.8496829524E-04   -0.8431929829E-04     12.47270943        0.6758842547E-05
J1,K1,R1,R2,RAT= 111 111   -0.1108413462         4.147195802        0.8891586538    
FOB,PFOB,DIAG,PSTEP=   -0.2367185149E-03   -0.2243944332E-03     11.11866838        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6169374446E-02     1.993451908        0.9934519076    
FOB,PFOB,DIAG,PSTEP=   -0.1358959313E-04   -0.1367396894E-04     9.488405461        0.1441396953E-05
J1,K1,R1,R2,RAT= 113 113   -0.6602212710         118.5790288        0.3397787290    
FOB,PFOB,DIAG,PSTEP=    0.6169619471E-02    0.6101297773E-02     7.608223332       -0.1360147118E-04
J1,K1,R1,R2,RAT= 114 114    -316.3093858        0.9981458160        0.1854184036E-02
FOB,PFOB,DIAG,PSTEP=   -0.3050736355        0.3031543116         4.807223358        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000     -0.00000      0.00001      0.00000     -0.00002 
     0.00001      0.00002      0.00002      0.00002      0.00000     -0.00004 
     0.00003      0.00001      0.00001      0.00002     -0.00001      0.00001 
    -0.00003      0.00003     -0.00000     -0.00000      0.00003      0.00001 
    -0.00000      0.00003      0.00004     -0.00002      0.00003     -0.00001 
    -0.00002      0.00002      0.00004     -0.00003     -0.00010      0.00005 
    -0.00003      0.00004      0.00003      0.00000     -0.00011      0.00008 
     0.00007     -0.00008     -0.00024     -0.00001      0.00617     -0.30507 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385213489
 Log product of positive Hessian eigenvalues =          520.3683448871
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8072233576
 Unscaled step for mode    7=        0.0000000003
 Unscaled step for mode    8=        0.0000000019
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=       -0.0000000023
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000039
 Unscaled step for mode   17=       -0.0000000036
 Unscaled step for mode   18=       -0.0000000084
 Unscaled step for mode   19=       -0.0000000188
 Unscaled step for mode   20=       -0.0000000208
 Unscaled step for mode   21=       -0.0000000135
 Unscaled step for mode   22=       -0.0000000012
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000274
 Unscaled step for mode   26=        0.0000000442
 Unscaled step for mode   27=        0.0000000239
 Unscaled step for mode   28=        0.0000000135
 Unscaled step for mode   29=        0.0000000235
 Unscaled step for mode   30=        0.0000000319
 Unscaled step for mode   31=        0.0000000097
 Unscaled step for mode   32=        0.0000000029
 Unscaled step for mode   33=       -0.0000000181
 Unscaled step for mode   34=       -0.0000000091
 Unscaled step for mode   35=       -0.0000000554
 Unscaled step for mode   36=       -0.0000000126
 Unscaled step for mode   37=        0.0000000262
 Unscaled step for mode   38=        0.0000000129
 Unscaled step for mode   39=        0.0000000443
 Unscaled step for mode   40=       -0.0000000264
 Unscaled step for mode   41=       -0.0000000331
 Unscaled step for mode   42=        0.0000000142
 Unscaled step for mode   43=       -0.0000000123
 Unscaled step for mode   44=        0.0000000211
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000347
 Unscaled step for mode   47=        0.0000000794
 Unscaled step for mode   48=        0.0000000020
 Unscaled step for mode   49=        0.0000000465
 Unscaled step for mode   50=       -0.0000000322
 Unscaled step for mode   51=        0.0000000339
 Unscaled step for mode   52=       -0.0000000016
 Unscaled step for mode   53=        0.0000000368
 Unscaled step for mode   54=        0.0000000228
 Unscaled step for mode   55=       -0.0000000739
 Unscaled step for mode   56=        0.0000000268
 Unscaled step for mode   57=       -0.0000000144
 Unscaled step for mode   58=        0.0000000654
 Unscaled step for mode   59=        0.0000000411
 Unscaled step for mode   60=       -0.0000000737
 Unscaled step for mode   61=        0.0000000594
 Unscaled step for mode   62=        0.0000001662
 Unscaled step for mode   63=        0.0000001116
 Unscaled step for mode   64=       -0.0000000321
 Unscaled step for mode   65=        0.0000000060
 Unscaled step for mode   66=        0.0000001300
 Unscaled step for mode   67=        0.0000000111
 Unscaled step for mode   68=        0.0000000389
 Unscaled step for mode   69=        0.0000000035
 Unscaled step for mode   70=       -0.0000000796
 Unscaled step for mode   71=       -0.0000000049
 Unscaled step for mode   72=        0.0000001997
 Unscaled step for mode   73=       -0.0000000877
 Unscaled step for mode   74=       -0.0000002283
 Unscaled step for mode   75=       -0.0000001817
 Unscaled step for mode   76=       -0.0000002080
 Unscaled step for mode   77=       -0.0000000303
 Unscaled step for mode   78=        0.0000004119
 Unscaled step for mode   79=       -0.0000003555
 Unscaled step for mode   80=       -0.0000001148
 Unscaled step for mode   81=       -0.0000001341
 Unscaled step for mode   82=       -0.0000001923
 Unscaled step for mode   83=        0.0000001120
 Unscaled step for mode   84=       -0.0000001965
 Unscaled step for mode   85=        0.0000003521
 Unscaled step for mode   86=       -0.0000004535
 Unscaled step for mode   87=        0.0000000307
 Unscaled step for mode   88=        0.0000000155
 Unscaled step for mode   89=       -0.0000004633
 Unscaled step for mode   90=       -0.0000002286
 Unscaled step for mode   91=        0.0000000038
 Unscaled step for mode   92=       -0.0000005997
 Unscaled step for mode   93=       -0.0000006667
 Unscaled step for mode   94=        0.0000003785
 Unscaled step for mode   95=       -0.0000006583
 Unscaled step for mode   96=        0.0000002002
 Unscaled step for mode   97=        0.0000005267
 Unscaled step for mode   98=       -0.0000004131
 Unscaled step for mode   99=       -0.0000010832
 Unscaled step for mode  100=        0.0000008614
 Unscaled step for mode  101=        0.0000029338
 Unscaled step for mode  102=       -0.0000015978
 Unscaled step for mode  103=        0.0000010614
 Unscaled step for mode  104=       -0.0000014518
 Unscaled step for mode  105=       -0.0000010765
 Unscaled step for mode  106=       -0.0000000576
 Unscaled step for mode  107=        0.0000053623
 Unscaled step for mode  108=       -0.0000047835
 Unscaled step for mode  109=       -0.0000050933
 Unscaled step for mode  110=        0.0000068123
 Unscaled step for mode  111=        0.0000212902
 Unscaled step for mode  112=        0.0000014322
 Unscaled step for mode  113=       -0.0008109141
 Unscaled step for mode  114=       -0.0632079620
 Largest modulus ratio of non-zero e/values=           150.1539368    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.452329E-15    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.333501E-15    0.100759E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.167563E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.926776E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.495043E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.552753E-15    0.973578E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.241866E-06    0.721824E+03  0.335076E-09 0.100000E-04    0.960406E+00
   8   -0.130069E-05    0.671266E+03  0.193767E-08 0.100000E-04    0.979314E+00
   9    0.744943E-06    0.624190E+03 -0.119346E-08 0.100000E-04    0.989027E+00
  10    0.145882E-05    0.603909E+03 -0.241563E-08 0.100000E-04    0.997278E+00
  11   -0.999098E-06    0.589632E+03  0.169444E-08 0.100000E-04    0.999551E+00
  12    0.310093E-05    0.564881E+03 -0.548953E-08 0.100000E-04    0.995377E+00
  13    0.129054E-05    0.563090E+03 -0.229188E-08 0.100000E-04    0.974413E+00
  14   -0.568663E-05    0.478773E+03  0.118775E-07 0.100000E-04    0.999690E+00
  15    0.176156E-05    0.469423E+03 -0.375261E-08 0.100000E-04    0.993429E+00
  16    0.180369E-05    0.462948E+03 -0.389611E-08 0.100000E-04    0.993137E+00
  17    0.161059E-05    0.441421E+03 -0.364865E-08 0.100000E-04    0.996224E+00
  18    0.363426E-05    0.431314E+03 -0.842603E-08 0.100000E-04    0.995067E+00
  19    0.792070E-05    0.420663E+03 -0.188291E-07 0.100000E-04    0.994786E+00
  20    0.844885E-05    0.406110E+03 -0.208044E-07 0.100000E-04    0.999094E+00
  21    0.537328E-05    0.398230E+03 -0.134929E-07 0.100000E-04    0.996144E+00
  22    0.456323E-06    0.388545E+03 -0.117444E-08 0.100000E-04    0.951936E+00
  23   -0.176052E-05    0.367021E+03  0.479677E-08 0.100000E-04    0.994570E+00
  24    0.184471E-05    0.363555E+03 -0.507410E-08 0.100000E-04    0.997987E+00
  25   -0.967028E-05    0.352321E+03  0.274473E-07 0.100000E-04    0.993946E+00
  26   -0.151099E-04    0.342014E+03  0.441791E-07 0.100000E-04    0.993455E+00
  27   -0.776449E-05    0.324347E+03  0.239388E-07 0.100000E-04    0.993760E+00
  28   -0.435492E-05    0.322221E+03  0.135153E-07 0.100000E-04    0.989700E+00
  29   -0.749534E-05    0.318334E+03  0.235455E-07 0.100000E-04    0.990761E+00
  30   -0.101132E-04    0.317160E+03  0.318868E-07 0.100000E-04    0.980057E+00
  31   -0.297319E-05    0.305258E+03  0.973994E-08 0.100000E-04    0.984544E+00
  32   -0.822798E-06    0.287427E+03  0.286263E-08 0.100000E-04    0.980480E+00
  33    0.506529E-05    0.279783E+03 -0.181043E-07 0.100000E-04    0.995082E+00
  34    0.247329E-05    0.271281E+03 -0.911709E-08 0.100000E-04    0.995767E+00
  35    0.147183E-04    0.265778E+03 -0.553782E-07 0.100000E-04    0.993563E+00
  36    0.329470E-05    0.262446E+03 -0.125538E-07 0.100000E-04    0.987977E+00
  37   -0.675162E-05    0.257829E+03  0.261864E-07 0.100000E-04    0.992301E+00
  38   -0.327550E-05    0.253456E+03  0.129233E-07 0.100000E-04    0.993572E+00
  39   -0.107846E-04    0.243543E+03  0.442820E-07 0.100000E-04    0.994996E+00
  40    0.630602E-05    0.239001E+03 -0.263850E-07 0.100000E-04    0.987206E+00
  41    0.775708E-05    0.234675E+03 -0.330546E-07 0.100000E-04    0.987814E+00
  42   -0.324600E-05    0.228597E+03  0.141996E-07 0.100000E-04    0.989369E+00
  43    0.276502E-05    0.223966E+03 -0.123457E-07 0.100000E-04    0.985480E+00
  44   -0.448751E-05    0.212691E+03  0.210987E-07 0.100000E-04    0.975996E+00
  45    0.372417E-05    0.211338E+03 -0.176218E-07 0.100000E-04    0.998609E+00
  46    0.727265E-05    0.209411E+03 -0.347291E-07 0.100000E-04    0.988277E+00
  47   -0.161173E-04    0.203009E+03  0.793923E-07 0.100000E-04    0.992347E+00
  48   -0.398634E-06    0.198392E+03  0.200932E-08 0.100000E-04    0.952189E+00
  49   -0.908423E-05    0.195453E+03  0.464779E-07 0.100000E-04    0.990648E+00
  50    0.617637E-05    0.191617E+03 -0.322330E-07 0.100000E-04    0.998564E+00
  51   -0.630123E-05    0.186135E+03  0.338529E-07 0.100000E-04    0.990973E+00
  52    0.276244E-06    0.177600E+03 -0.155542E-08 0.100000E-04    0.970134E+00
  53   -0.627858E-05    0.170802E+03  0.367594E-07 0.100000E-04    0.993893E+00
  54   -0.382656E-05    0.168042E+03  0.227714E-07 0.100000E-04    0.985587E+00
  55    0.122475E-04    0.165699E+03 -0.739142E-07 0.100000E-04    0.993974E+00
  56   -0.429555E-05    0.160455E+03  0.267711E-07 0.100000E-04    0.998240E+00
  57    0.220913E-05    0.153560E+03 -0.143861E-07 0.100000E-04    0.988212E+00
  58   -0.987451E-05    0.151016E+03  0.653871E-07 0.100000E-04    0.994056E+00
  59   -0.612246E-05    0.148839E+03  0.411347E-07 0.100000E-04    0.992970E+00
  60    0.105250E-04    0.142721E+03 -0.737457E-07 0.100000E-04    0.991367E+00
  61   -0.813745E-05    0.136927E+03  0.594291E-07 0.100000E-04    0.994118E+00
  62   -0.224159E-04    0.134895E+03  0.166173E-06 0.100000E-04    0.995767E+00
  63   -0.146187E-04    0.130972E+03  0.111617E-06 0.100000E-04    0.996475E+00
  64    0.410088E-05    0.127666E+03 -0.321219E-07 0.100000E-04    0.985467E+00
  65   -0.760204E-06    0.125857E+03  0.604021E-08 0.100000E-04    0.959027E+00
  66   -0.162350E-04    0.124850E+03  0.130036E-06 0.100000E-04    0.995128E+00
  67   -0.132060E-05    0.119443E+03  0.110563E-07 0.100000E-04    0.981740E+00
  68   -0.459259E-05    0.117945E+03  0.389384E-07 0.100000E-04    0.993555E+00
  69   -0.405180E-06    0.116539E+03  0.347678E-08 0.100000E-04    0.959029E+00
  70    0.894334E-05    0.112349E+03 -0.796029E-07 0.100000E-04    0.988337E+00
  71    0.537109E-06    0.109845E+03 -0.488970E-08 0.100000E-04    0.974219E+00
  72   -0.210491E-04    0.105414E+03  0.199680E-06 0.100000E-04    0.994274E+00
  73    0.902201E-05    0.102844E+03 -0.877250E-07 0.100000E-04    0.988616E+00
  74    0.229072E-04    0.100337E+03 -0.228303E-06 0.100000E-04    0.996322E+00
  75    0.176545E-04    0.971503E+02 -0.181724E-06 0.100000E-04    0.988961E+00
  76    0.197799E-04    0.950777E+02 -0.208039E-06 0.100000E-04    0.993436E+00
  77    0.276237E-05    0.910661E+02 -0.303336E-07 0.100000E-04    0.907720E+00
  78   -0.374261E-04    0.908584E+02  0.411916E-06 0.100000E-04    0.992424E+00
  79    0.315050E-04    0.886257E+02 -0.355483E-06 0.100000E-04    0.999355E+00
  80    0.970351E-05    0.845240E+02 -0.114802E-06 0.100000E-04    0.990933E+00
  81    0.108450E-04    0.808854E+02 -0.134078E-06 0.100000E-04    0.994610E+00
  82    0.152388E-04    0.792304E+02 -0.192335E-06 0.100000E-04    0.999010E+00
  83   -0.880907E-05    0.786244E+02  0.112040E-06 0.100000E-04    0.992809E+00
  84    0.143256E-04    0.729131E+02 -0.196474E-06 0.100000E-04    0.993771E+00
  85   -0.251596E-04    0.714587E+02  0.352086E-06 0.100000E-04    0.995898E+00
  86    0.313079E-04    0.690368E+02 -0.453495E-06 0.100000E-04    0.995998E+00
  87   -0.207987E-05    0.677973E+02  0.306777E-07 0.100000E-04    0.927980E+00
  88   -0.981342E-06    0.634411E+02  0.154686E-07 0.100000E-04    0.996271E+00
  89    0.287078E-04    0.619697E+02 -0.463255E-06 0.100000E-04    0.994934E+00
  90    0.136387E-04    0.596552E+02 -0.228626E-06 0.100000E-04    0.997488E+00
  91   -0.224657E-06    0.586966E+02  0.382742E-08 0.100000E-04    0.924160E+00
  92    0.334881E-04    0.558373E+02 -0.599744E-06 0.100000E-04    0.991939E+00
  93    0.356937E-04    0.535413E+02 -0.666658E-06 0.100000E-04    0.998651E+00
  94   -0.197809E-04    0.522585E+02  0.378521E-06 0.100000E-04    0.994284E+00
  95    0.331123E-04    0.502989E+02 -0.658310E-06 0.100000E-04    0.999060E+00
  96   -0.960455E-05    0.479863E+02  0.200152E-06 0.100000E-04    0.994075E+00
  97   -0.228940E-04    0.434701E+02  0.526661E-06 0.100000E-04    0.996186E+00
  98    0.164939E-04    0.399260E+02 -0.413113E-06 0.100000E-04    0.994071E+00
  99    0.403063E-04    0.372095E+02 -0.108322E-05 0.100000E-04    0.990156E+00
 100   -0.311832E-04    0.362002E+02  0.861408E-06 0.100000E-04    0.997872E+00
 101   -0.102826E-03    0.350491E+02  0.293378E-05 0.100000E-04    0.996347E+00
 102    0.466457E-04    0.291930E+02 -0.159784E-05 0.100000E-04    0.993555E+00
 103   -0.307039E-04    0.289271E+02  0.106142E-05 0.100000E-04    0.995965E+00
 104    0.417056E-04    0.287277E+02 -0.145175E-05 0.100000E-04    0.999789E+00
 105    0.250183E-04    0.232411E+02 -0.107647E-05 0.100000E-04    0.991739E+00
 106    0.126218E-05    0.219286E+02 -0.575588E-07 0.100000E-04    0.821139E+00
 107   -0.105220E-03    0.196224E+02  0.536225E-05 0.100000E-04    0.996615E+00
 108    0.800088E-04    0.167259E+02 -0.478351E-05 0.100000E-04    0.998034E+00
 109    0.703662E-04    0.138153E+02 -0.509335E-05 0.100000E-04    0.997446E+00
 110   -0.849683E-04    0.124727E+02  0.681234E-05 0.100000E-04    0.992301E+00
 111   -0.236719E-03    0.111187E+02  0.100000E-04 0.100000E-04    0.889159E+00
 112   -0.135896E-04    0.948841E+01  0.143223E-05 0.100000E-04    0.993452E+00
 113    0.616962E-02    0.760822E+01 -0.122536E-04 0.122536E-04    0.339779E+00
 114   -0.305074E+00    0.480722E+01 -0.400000E-03 0.400000E-03    0.185418E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6320796197E-01

 Beginning of optimization cycle  140.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3932193470
 potential> RMS force:                                               0.0287584713   |gradient|=.3070564481    
 Eigenvalues of the Hessian matrix:
   721.88337    671.28154    624.20888    603.92086    589.62979    564.90141 
   563.12809    478.79053    469.40014    462.93704    441.41924    431.30368 
   420.67044    406.12066    398.22621    388.54883    367.02332    363.54470 
   352.31234    341.97563    324.35341    322.20665    318.32988    317.16306 
   305.25474    287.43028    279.77876    271.27498    265.77893    262.45494 
   257.83426    253.45766    243.53164    238.98803    234.68675    228.59974 
   223.94732    212.69120    211.34359    209.39843    203.01175    198.38795 
   195.45477    191.61635    186.12776    177.58577    170.80539    168.03960 
   165.69724    160.45012    153.55691    151.01511    148.84514    142.72453 
   136.92737    134.90031    130.97037    127.66575    125.86051    124.85648 
   119.44349    117.94501    116.54224    112.34200    109.83543    105.41039 
   102.84508    100.33272     97.14753     95.07852     91.06016     90.86553 
    88.63727     84.52558     80.88557     79.23395     78.62225     72.91051 
    71.46188     69.02758     67.79987     63.43977     61.96179     59.65504 
    58.69958     55.83795     53.53824     52.25756     50.29853     47.98543 
    43.46562     39.92863     37.20350     36.19920     35.05657     29.18477 
    28.92524     28.72784     23.23649     21.92915     19.62427     16.72782 
    13.81432     12.47003     11.10719      9.49019      7.60837      4.80654 
overlap for current and previous eigenvector    109 is        -0.9999977717
overlap for current and previous eigenvector    110 is         0.9999959080
overlap for current and previous eigenvector    111 is         0.9999931380
overlap for current and previous eigenvector    112 is        -0.9999992388
overlap for current and previous eigenvector    113 is        -0.9999990945
overlap for current and previous eigenvector    114 is        -0.9999994311
J1,K1,R1,R2,RAT=   7   7   -0.5385623846E-01     2.053690414        0.9461437615    
FOB,PFOB,DIAG,PSTEP=   -0.2548926217E-06   -0.2418655717E-06     721.8833650        0.3350757736E-09
J1,K1,R1,R2,RAT=   8   8   -0.1390979373E-02     2.001343877        0.9986090206    
FOB,PFOB,DIAG,PSTEP=   -0.1302500323E-05   -0.1300691046E-05     671.2815368        0.1937669380E-08
J1,K1,R1,R2,RAT=   9   9    0.8035697825E-02     1.991902961        0.9919029613    
FOB,PFOB,DIAG,PSTEP=    0.7389568412E-06    0.7449431630E-06     624.2088809       -0.1193456284E-08
J1,K1,R1,R2,RAT=  10  10   -0.7738278780E-02     2.007699823        0.9922617212    
FOB,PFOB,DIAG,PSTEP=    0.1470111011E-05    0.1458822022E-05     603.9208614       -0.2415631196E-08
J1,K1,R1,R2,RAT=  11  11   -0.3709171293E-02     2.003718035        0.9962908287    
FOB,PFOB,DIAG,PSTEP=   -0.1002804292E-05   -0.9990984811E-06     589.6297930        0.1694442963E-08
J1,K1,R1,R2,RAT= 109 109     2.001929423       -0.1786728435E-02    0.9982132716    
FOB,PFOB,DIAG,PSTEP=   -0.7049189093E-04    0.7036617466E-04     13.81432008       -0.5093349086E-05
J1,K1,R1,R2,RAT= 110 110   -0.1556581373E-01     2.015994845        0.9844341863    
FOB,PFOB,DIAG,PSTEP=   -0.8629061224E-04   -0.8496829524E-04     12.47003441        0.6812336624E-05
J1,K1,R1,R2,RAT= 111 111   -0.1123380506         4.374776401        0.8876619494    
FOB,PFOB,DIAG,PSTEP=   -0.2491961131E-03   -0.2367185149E-03     11.10718774        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.961940300        0.3768321423E-01    0.9619403001    
FOB,PFOB,DIAG,PSTEP=    0.1307739716E-04   -0.1358959313E-04     9.490191922        0.1432231494E-05
J1,K1,R1,R2,RAT= 113 113     133.2000749       -0.8471011774        0.1528988226    
FOB,PFOB,DIAG,PSTEP=   -0.6248594529E-02    0.6169619471E-02     7.608372436       -0.1225357764E-04
J1,K1,R1,R2,RAT= 114 114    -318.3509650        0.9981300174        0.1869982577E-02
FOB,PFOB,DIAG,PSTEP=    0.3069926551       -0.3050736355         4.806537108       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001      0.00000 
     0.00001     -0.00000      0.00000     -0.00001     -0.00001     -0.00001 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000     -0.00000      0.00001      0.00000      0.00002 
    -0.00001     -0.00002     -0.00002     -0.00002     -0.00000     -0.00004 
    -0.00003     -0.00001     -0.00001      0.00002      0.00001     -0.00001 
     0.00003     -0.00003      0.00000      0.00000     -0.00003     -0.00001 
     0.00000     -0.00003     -0.00004      0.00002     -0.00003     -0.00001 
    -0.00002      0.00002      0.00004     -0.00003      0.00010      0.00005 
     0.00003      0.00004     -0.00003      0.00000     -0.00011     -0.00008 
    -0.00007     -0.00009     -0.00025      0.00001     -0.00625      0.30699 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385395783
 Log product of positive Hessian eigenvalues =          520.3663793073
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8065371084
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000019
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=       -0.0000000023
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000039
 Unscaled step for mode   17=       -0.0000000037
 Unscaled step for mode   18=       -0.0000000084
 Unscaled step for mode   19=       -0.0000000189
 Unscaled step for mode   20=       -0.0000000209
 Unscaled step for mode   21=       -0.0000000136
 Unscaled step for mode   22=       -0.0000000012
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000276
 Unscaled step for mode   26=        0.0000000445
 Unscaled step for mode   27=        0.0000000241
 Unscaled step for mode   28=        0.0000000133
 Unscaled step for mode   29=        0.0000000232
 Unscaled step for mode   30=        0.0000000325
 Unscaled step for mode   31=        0.0000000098
 Unscaled step for mode   32=        0.0000000029
 Unscaled step for mode   33=       -0.0000000182
 Unscaled step for mode   34=       -0.0000000092
 Unscaled step for mode   35=       -0.0000000556
 Unscaled step for mode   36=       -0.0000000127
 Unscaled step for mode   37=        0.0000000264
 Unscaled step for mode   38=        0.0000000129
 Unscaled step for mode   39=        0.0000000446
 Unscaled step for mode   40=       -0.0000000266
 Unscaled step for mode   41=       -0.0000000335
 Unscaled step for mode   42=        0.0000000143
 Unscaled step for mode   43=       -0.0000000124
 Unscaled step for mode   44=        0.0000000213
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000350
 Unscaled step for mode   47=        0.0000000798
 Unscaled step for mode   48=        0.0000000019
 Unscaled step for mode   49=        0.0000000468
 Unscaled step for mode   50=       -0.0000000325
 Unscaled step for mode   51=        0.0000000340
 Unscaled step for mode   52=       -0.0000000015
 Unscaled step for mode   53=        0.0000000369
 Unscaled step for mode   54=       -0.0000000230
 Unscaled step for mode   55=       -0.0000000743
 Unscaled step for mode   56=        0.0000000270
 Unscaled step for mode   57=       -0.0000000145
 Unscaled step for mode   58=        0.0000000659
 Unscaled step for mode   59=        0.0000000412
 Unscaled step for mode   60=        0.0000000740
 Unscaled step for mode   61=        0.0000000600
 Unscaled step for mode   62=        0.0000001670
 Unscaled step for mode   63=        0.0000001124
 Unscaled step for mode   64=       -0.0000000325
 Unscaled step for mode   65=        0.0000000060
 Unscaled step for mode   66=        0.0000001309
 Unscaled step for mode   67=        0.0000000110
 Unscaled step for mode   68=        0.0000000392
 Unscaled step for mode   69=        0.0000000038
 Unscaled step for mode   70=       -0.0000000801
 Unscaled step for mode   71=       -0.0000000051
 Unscaled step for mode   72=       -0.0000002015
 Unscaled step for mode   73=        0.0000000886
 Unscaled step for mode   74=        0.0000002296
 Unscaled step for mode   75=        0.0000001833
 Unscaled step for mode   76=        0.0000002093
 Unscaled step for mode   77=        0.0000000327
 Unscaled step for mode   78=        0.0000004141
 Unscaled step for mode   79=        0.0000003561
 Unscaled step for mode   80=        0.0000001156
 Unscaled step for mode   81=        0.0000001350
 Unscaled step for mode   82=       -0.0000001926
 Unscaled step for mode   83=       -0.0000001120
 Unscaled step for mode   84=        0.0000001985
 Unscaled step for mode   85=       -0.0000003546
 Unscaled step for mode   86=        0.0000004556
 Unscaled step for mode   87=       -0.0000000289
 Unscaled step for mode   88=       -0.0000000164
 Unscaled step for mode   89=        0.0000004663
 Unscaled step for mode   90=        0.0000002309
 Unscaled step for mode   91=       -0.0000000034
 Unscaled step for mode   92=        0.0000006035
 Unscaled step for mode   93=        0.0000006694
 Unscaled step for mode   94=       -0.0000003823
 Unscaled step for mode   95=        0.0000006602
 Unscaled step for mode   96=        0.0000002002
 Unscaled step for mode   97=        0.0000005308
 Unscaled step for mode   98=       -0.0000004156
 Unscaled step for mode   99=       -0.0000011007
 Unscaled step for mode  100=        0.0000008606
 Unscaled step for mode  101=       -0.0000029451
 Unscaled step for mode  102=       -0.0000016186
 Unscaled step for mode  103=       -0.0000010573
 Unscaled step for mode  104=       -0.0000014594
 Unscaled step for mode  105=        0.0000010851
 Unscaled step for mode  106=       -0.0000000683
 Unscaled step for mode  107=        0.0000053927
 Unscaled step for mode  108=        0.0000047617
 Unscaled step for mode  109=        0.0000051028
 Unscaled step for mode  110=        0.0000069198
 Unscaled step for mode  111=        0.0000224356
 Unscaled step for mode  112=       -0.0000013780
 Unscaled step for mode  113=        0.0008212782
 Unscaled step for mode  114=        0.0636113757
 Largest modulus ratio of non-zero e/values=           150.1878273    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.310082E-16    0.101883E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.138344E-15    0.100759E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.587529E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.218197E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.614092E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.235746E-15    0.973579E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.254893E-06    0.721883E+03  0.353094E-09 0.100000E-04    0.946144E+00
   8   -0.130250E-05    0.671282E+03  0.194032E-08 0.100000E-04    0.998609E+00
   9    0.738957E-06    0.624209E+03 -0.118383E-08 0.100000E-04    0.991903E+00
  10    0.147011E-05    0.603921E+03 -0.243428E-08 0.100000E-04    0.992262E+00
  11   -0.100280E-05    0.589630E+03  0.170074E-08 0.100000E-04    0.996291E+00
  12    0.310369E-05    0.564901E+03 -0.549422E-08 0.100000E-04    0.999108E+00
  13    0.127930E-05    0.563128E+03 -0.227178E-08 0.100000E-04    0.991159E+00
  14   -0.569312E-05    0.478791E+03  0.118906E-07 0.100000E-04    0.998859E+00
  15    0.175292E-05    0.469400E+03 -0.373439E-08 0.100000E-04    0.995098E+00
  16    0.182842E-05    0.462937E+03 -0.394962E-08 0.100000E-04    0.986289E+00
  17    0.163797E-05    0.441419E+03 -0.371069E-08 0.100000E-04    0.983001E+00
  18    0.364334E-05    0.431304E+03 -0.844728E-08 0.100000E-04    0.997501E+00
  19    0.796984E-05    0.420670E+03 -0.189456E-07 0.100000E-04    0.993796E+00
  20    0.847481E-05    0.406121E+03 -0.208677E-07 0.100000E-04    0.996928E+00
  21    0.540344E-05    0.398226E+03 -0.135688E-07 0.100000E-04    0.994387E+00
  22    0.483296E-06    0.388549E+03 -0.124385E-08 0.100000E-04    0.940891E+00
  23   -0.175759E-05    0.367023E+03  0.478878E-08 0.100000E-04    0.998327E+00
  24    0.183998E-05    0.363545E+03 -0.506123E-08 0.100000E-04    0.997437E+00
  25   -0.972409E-05    0.352312E+03  0.276008E-07 0.100000E-04    0.994435E+00
  26   -0.152128E-04    0.341976E+03  0.444849E-07 0.100000E-04    0.993193E+00
  27   -0.780207E-05    0.324353E+03  0.240542E-07 0.100000E-04    0.995159E+00
  28   -0.430065E-05    0.322207E+03  0.133475E-07 0.100000E-04    0.987538E+00
  29   -0.738523E-05    0.318330E+03  0.231999E-07 0.100000E-04    0.985309E+00
  30   -0.103059E-04    0.317163E+03  0.324941E-07 0.100000E-04    0.980946E+00
  31   -0.299602E-05    0.305255E+03  0.981481E-08 0.100000E-04    0.992323E+00
  32   -0.846568E-06    0.287430E+03  0.294530E-08 0.100000E-04    0.971111E+00
  33    0.510371E-05    0.279779E+03 -0.182419E-07 0.100000E-04    0.992416E+00
  34    0.250687E-05    0.271275E+03 -0.924106E-08 0.100000E-04    0.986425E+00
  35    0.147854E-04    0.265779E+03 -0.556306E-07 0.100000E-04    0.995439E+00
  36    0.334242E-05    0.262455E+03 -0.127352E-07 0.100000E-04    0.985518E+00
  37   -0.679859E-05    0.257834E+03  0.263681E-07 0.100000E-04    0.993043E+00
  38   -0.327864E-05    0.253458E+03  0.129357E-07 0.100000E-04    0.999039E+00
  39   -0.108500E-04    0.243532E+03  0.445527E-07 0.100000E-04    0.993935E+00
  40    0.636853E-05    0.238988E+03 -0.266479E-07 0.100000E-04    0.990087E+00
  41    0.785064E-05    0.234687E+03 -0.334516E-07 0.100000E-04    0.987940E+00
  42   -0.327190E-05    0.228600E+03  0.143128E-07 0.100000E-04    0.992020E+00
  43    0.278484E-05    0.223947E+03 -0.124353E-07 0.100000E-04    0.992830E+00
  44   -0.452840E-05    0.212691E+03  0.212910E-07 0.100000E-04    0.990888E+00
  45    0.373463E-05    0.211344E+03 -0.176709E-07 0.100000E-04    0.997192E+00
  46    0.732199E-05    0.209398E+03 -0.349668E-07 0.100000E-04    0.993214E+00
  47   -0.162026E-04    0.203012E+03  0.798113E-07 0.100000E-04    0.994708E+00
  48   -0.381317E-06    0.198388E+03  0.192208E-08 0.100000E-04    0.956558E+00
  49   -0.914345E-05    0.195455E+03  0.467804E-07 0.100000E-04    0.993481E+00
  50    0.623371E-05    0.191616E+03 -0.325322E-07 0.100000E-04    0.990717E+00
  51   -0.633041E-05    0.186128E+03  0.340111E-07 0.100000E-04    0.995368E+00
  52    0.273612E-06    0.177586E+03 -0.154073E-08 0.100000E-04    0.990472E+00
  53   -0.630186E-05    0.170805E+03  0.368950E-07 0.100000E-04    0.996293E+00
  54    0.385972E-05    0.168040E+03 -0.229691E-07 0.100000E-04    0.991333E+00
  55    0.123040E-04    0.165697E+03 -0.742562E-07 0.100000E-04    0.995381E+00
  56   -0.432644E-05    0.160450E+03  0.269644E-07 0.100000E-04    0.992807E+00
  57    0.222409E-05    0.153557E+03 -0.144838E-07 0.100000E-04    0.993229E+00
  58   -0.994809E-05    0.151015E+03  0.658748E-07 0.100000E-04    0.992549E+00
  59   -0.612577E-05    0.148845E+03  0.411553E-07 0.100000E-04    0.999460E+00
  60   -0.105639E-04    0.142725E+03  0.740163E-07 0.100000E-04    0.996304E+00
  61   -0.821438E-05    0.136927E+03  0.599908E-07 0.100000E-04    0.990546E+00
  62   -0.225282E-04    0.134900E+03  0.166999E-06 0.100000E-04    0.994988E+00
  63   -0.147203E-04    0.130970E+03  0.112394E-06 0.100000E-04    0.993045E+00
  64    0.414998E-05    0.127666E+03 -0.325066E-07 0.100000E-04    0.988027E+00
  65   -0.753635E-06    0.125861E+03  0.598786E-08 0.100000E-04    0.991306E+00
  66   -0.163428E-04    0.124856E+03  0.130893E-06 0.100000E-04    0.993360E+00
  67   -0.131467E-05    0.119443E+03  0.110066E-07 0.100000E-04    0.995499E+00
  68   -0.462800E-05    0.117945E+03  0.392387E-07 0.100000E-04    0.992289E+00
  69   -0.437281E-06    0.116542E+03  0.375213E-08 0.100000E-04    0.920774E+00
  70    0.900353E-05    0.112342E+03 -0.801440E-07 0.100000E-04    0.993268E+00
  71    0.558532E-06    0.109835E+03 -0.508518E-08 0.100000E-04    0.960109E+00
  72    0.212363E-04    0.105410E+03 -0.201464E-06 0.100000E-04    0.991104E+00
  73   -0.911214E-05    0.102845E+03  0.886006E-07 0.100000E-04    0.990011E+00
  74   -0.230375E-04    0.100333E+03  0.229611E-06 0.100000E-04    0.994314E+00
  75   -0.178090E-04    0.971475E+02  0.183320E-06 0.100000E-04    0.991248E+00
  76   -0.198961E-04    0.950785E+02  0.209259E-06 0.100000E-04    0.994125E+00
  77   -0.297519E-05    0.910602E+02  0.326728E-07 0.100000E-04    0.922950E+00
  78   -0.376278E-04    0.908655E+02  0.414104E-06 0.100000E-04    0.994609E+00
  79   -0.315640E-04    0.886373E+02  0.356104E-06 0.100000E-04    0.998125E+00
  80   -0.977535E-05    0.845256E+02  0.115650E-06 0.100000E-04    0.992597E+00
  81   -0.109182E-04    0.808856E+02  0.134984E-06 0.100000E-04    0.993245E+00
  82    0.152617E-04    0.792340E+02 -0.192616E-06 0.100000E-04    0.998495E+00
  83    0.880869E-05    0.786223E+02 -0.112038E-06 0.100000E-04    0.999958E+00
  84   -0.144748E-04    0.729105E+02  0.198528E-06 0.100000E-04    0.989585E+00
  85    0.253419E-04    0.714619E+02 -0.354621E-06 0.100000E-04    0.992754E+00
  86   -0.314465E-04    0.690276E+02  0.455565E-06 0.100000E-04    0.995571E+00
  87    0.196142E-05    0.677999E+02 -0.289295E-07 0.100000E-04    0.942977E+00
  88    0.104033E-05    0.634398E+02 -0.163987E-07 0.100000E-04    0.939892E+00
  89   -0.288943E-04    0.619618E+02  0.466325E-06 0.100000E-04    0.993500E+00
  90   -0.137748E-04    0.596550E+02  0.230908E-06 0.100000E-04    0.990019E+00
  91    0.201212E-06    0.586996E+02 -0.342782E-08 0.100000E-04    0.895544E+00
  92   -0.336960E-04    0.558379E+02  0.603461E-06 0.100000E-04    0.993790E+00
  93   -0.358363E-04    0.535382E+02  0.669358E-06 0.100000E-04    0.996007E+00
  94    0.199787E-04    0.522576E+02 -0.382312E-06 0.100000E-04    0.990001E+00
  95   -0.332078E-04    0.502985E+02  0.660214E-06 0.100000E-04    0.997115E+00
  96   -0.960592E-05    0.479854E+02  0.200184E-06 0.100000E-04    0.999858E+00
  97   -0.230719E-04    0.434656E+02  0.530808E-06 0.100000E-04    0.992229E+00
  98    0.165951E-04    0.399286E+02 -0.415619E-06 0.100000E-04    0.993866E+00
  99    0.409495E-04    0.372035E+02 -0.110069E-05 0.100000E-04    0.984039E+00
 100   -0.311514E-04    0.361992E+02  0.860556E-06 0.100000E-04    0.998982E+00
 101    0.103245E-03    0.350566E+02 -0.294510E-05 0.100000E-04    0.995929E+00
 102    0.472387E-04    0.291848E+02 -0.161861E-05 0.100000E-04    0.987284E+00
 103    0.305833E-04    0.289252E+02 -0.105732E-05 0.100000E-04    0.996072E+00
 104    0.419265E-04    0.287278E+02 -0.145944E-05 0.100000E-04    0.994702E+00
 105   -0.252136E-04    0.232365E+02  0.108509E-05 0.100000E-04    0.992192E+00
 106    0.149716E-05    0.219292E+02 -0.682726E-07 0.100000E-04    0.813839E+00
 107   -0.105827E-03    0.196243E+02  0.539266E-05 0.100000E-04    0.994231E+00
 108   -0.796534E-04    0.167278E+02  0.476173E-05 0.100000E-04    0.995335E+00
 109   -0.704919E-04    0.138143E+02  0.510281E-05 0.100000E-04    0.998213E+00
 110   -0.862906E-04    0.124700E+02  0.691984E-05 0.100000E-04    0.984434E+00
 111   -0.249196E-03    0.111072E+02  0.100000E-04 0.100000E-04    0.887662E+00
 112    0.130774E-04    0.949019E+01 -0.137799E-05 0.100000E-04    0.961940E+00
 113   -0.624859E-02    0.760837E+01  0.133564E-04 0.133564E-04    0.152899E+00
 114    0.306993E+00    0.480654E+01  0.400000E-03 0.400000E-03    0.186998E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6361137571E-01

 Beginning of optimization cycle  141.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3930962516
 potential> RMS force:                                               0.0289382737   |gradient|=.3089762131    
 Eigenvalues of the Hessian matrix:
   721.94318    671.29721    624.22790    603.93247    589.62701    564.92208 
   563.16636    478.80823    469.37743    462.92643    441.41728    431.29386 
   420.67823    406.13156    398.22239    388.55258    367.02568    363.53446 
   352.30355    341.93695    324.35941    322.19254    318.32591    317.16520 
   305.25167    287.43347    279.77431    271.26901    265.78006    262.46409 
   257.83924    253.45961    243.52016    238.97538    234.69840    228.60202 
   223.92841    212.69134    211.34885    209.38608    203.01463    198.38362 
   195.45684    191.61611    186.12007    177.57119    170.80888    168.03679 
   165.69590    160.44557    153.55407    151.01408    148.85096    142.72820 
   136.92779    134.90546    130.96914    127.66534    125.86378    124.86299 
   119.44427    117.94501    116.54572    112.33456    109.82583    105.40656 
   102.84591    100.32845     97.14471     95.07934     91.05426     90.87271 
    88.64881     84.52723     80.88573     79.23756     78.62011     72.90788 
    71.46506     69.01832     67.80236     63.43848     61.95378     59.65491 
    58.70253     55.83861     53.53511     52.25665     50.29814     47.98448 
    43.46116     39.93129     37.19752     36.19803     35.06400     29.17658 
    28.92329     28.72798     23.23191     21.92970     19.62619     16.72966 
    13.81334     12.46739     11.09565      9.49198      7.60849      4.80582 
overlap for current and previous eigenvector    109 is         0.9999977984
overlap for current and previous eigenvector    110 is        -0.9999959985
overlap for current and previous eigenvector    111 is        -0.9999932258
overlap for current and previous eigenvector    112 is        -0.9999992195
overlap for current and previous eigenvector    113 is        -0.9999990885
overlap for current and previous eigenvector    114 is        -0.9999994346
J1,K1,R1,R2,RAT=   7   7   -0.3812023293E-01     2.037954533        0.9618797671    
FOB,PFOB,DIAG,PSTEP=   -0.2646099929E-06   -0.2548926217E-06     721.9431781        0.3530939125E-09
J1,K1,R1,R2,RAT=   8   8   -0.2019351878E-01     2.020146819        0.9798064812    
FOB,PFOB,DIAG,PSTEP=   -0.1328803002E-05   -0.1302500323E-05     671.2972115        0.1940319004E-08
J1,K1,R1,R2,RAT=   9   9   -0.1090753777E-01     2.010846596        0.9890924622    
FOB,PFOB,DIAG,PSTEP=    0.7470172865E-06    0.7389568412E-06     624.2279016       -0.1183829426E-08
J1,K1,R1,R2,RAT=  10  10    0.2892874067E-02     1.997068668        0.9970686679    
FOB,PFOB,DIAG,PSTEP=    0.1465858083E-05    0.1470111011E-05     603.9324744       -0.2434277576E-08
J1,K1,R1,R2,RAT=  11  11    0.2228506182E-03     1.999786606        0.9997771494    
FOB,PFOB,DIAG,PSTEP=   -0.1002580818E-05   -0.1002804292E-05     589.6270051        0.1700735451E-08
J1,K1,R1,R2,RAT= 109 109   -0.2363714943E-02     2.002504978        0.9976362851    
FOB,PFOB,DIAG,PSTEP=   -0.7065850190E-04   -0.7049189093E-04     13.81334442        0.5102812915E-05
J1,K1,R1,R2,RAT= 110 110     2.008306128       -0.7882663489E-02    0.9921173365    
FOB,PFOB,DIAG,PSTEP=    0.8697066811E-04   -0.8629061224E-04     12.46739466        0.6919837540E-05
J1,K1,R1,R2,RAT= 111 111     4.612577798       -0.1207978164        0.8792021836    
FOB,PFOB,DIAG,PSTEP=    0.2625994171E-03   -0.2491961131E-03     11.09565090        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.993222609        0.6400737516E-02    0.9932226093    
FOB,PFOB,DIAG,PSTEP=   -0.1299367641E-04    0.1307739716E-04     9.491979514       -0.1377990800E-05
J1,K1,R1,R2,RAT= 113 113     123.6713742       -0.6942002701        0.3057997299    
FOB,PFOB,DIAG,PSTEP=    0.6319140564E-02   -0.6248594529E-02     7.608489162        0.1335639963E-04
J1,K1,R1,R2,RAT= 114 114    -320.3951493        0.9981211513        0.1878848721E-02
FOB,PFOB,DIAG,PSTEP=   -0.3089113697        0.3069926551         4.805815773        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000      0.00000     -0.00001     -0.00001      0.00001 
     0.00001      0.00002      0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00000     -0.00000      0.00001      0.00000     -0.00002 
    -0.00001      0.00002      0.00002      0.00002      0.00000      0.00004 
     0.00003      0.00001     -0.00001     -0.00002      0.00001     -0.00001 
     0.00003     -0.00003      0.00000     -0.00000     -0.00003      0.00001 
    -0.00000      0.00003      0.00004     -0.00002      0.00003      0.00001 
    -0.00002     -0.00002      0.00004      0.00003      0.00010     -0.00005 
     0.00003      0.00004      0.00003      0.00000      0.00011     -0.00008 
    -0.00007      0.00009      0.00026     -0.00001      0.00632     -0.30891 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385597105
 Log product of positive Hessian eigenvalues =          520.3643918041
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8058157734
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000020
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=       -0.0000000022
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000040
 Unscaled step for mode   17=       -0.0000000037
 Unscaled step for mode   18=       -0.0000000085
 Unscaled step for mode   19=       -0.0000000190
 Unscaled step for mode   20=       -0.0000000209
 Unscaled step for mode   21=       -0.0000000136
 Unscaled step for mode   22=       -0.0000000013
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000051
 Unscaled step for mode   25=        0.0000000278
 Unscaled step for mode   26=        0.0000000448
 Unscaled step for mode   27=        0.0000000242
 Unscaled step for mode   28=        0.0000000132
 Unscaled step for mode   29=        0.0000000229
 Unscaled step for mode   30=        0.0000000331
 Unscaled step for mode   31=        0.0000000100
 Unscaled step for mode   32=        0.0000000030
 Unscaled step for mode   33=       -0.0000000183
 Unscaled step for mode   34=       -0.0000000093
 Unscaled step for mode   35=       -0.0000000560
 Unscaled step for mode   36=       -0.0000000129
 Unscaled step for mode   37=        0.0000000266
 Unscaled step for mode   38=        0.0000000130
 Unscaled step for mode   39=        0.0000000448
 Unscaled step for mode   40=       -0.0000000270
 Unscaled step for mode   41=       -0.0000000339
 Unscaled step for mode   42=        0.0000000145
 Unscaled step for mode   43=       -0.0000000126
 Unscaled step for mode   44=        0.0000000218
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000354
 Unscaled step for mode   47=        0.0000000804
 Unscaled step for mode   48=        0.0000000018
 Unscaled step for mode   49=        0.0000000472
 Unscaled step for mode   50=       -0.0000000326
 Unscaled step for mode   51=        0.0000000343
 Unscaled step for mode   52=       -0.0000000015
 Unscaled step for mode   53=        0.0000000371
 Unscaled step for mode   54=        0.0000000233
 Unscaled step for mode   55=       -0.0000000747
 Unscaled step for mode   56=        0.0000000270
 Unscaled step for mode   57=       -0.0000000147
 Unscaled step for mode   58=        0.0000000663
 Unscaled step for mode   59=        0.0000000414
 Unscaled step for mode   60=       -0.0000000747
 Unscaled step for mode   61=       -0.0000000603
 Unscaled step for mode   62=       -0.0000001677
 Unscaled step for mode   63=       -0.0000001128
 Unscaled step for mode   64=       -0.0000000330
 Unscaled step for mode   65=        0.0000000057
 Unscaled step for mode   66=        0.0000001315
 Unscaled step for mode   67=        0.0000000112
 Unscaled step for mode   68=       -0.0000000395
 Unscaled step for mode   69=        0.0000000039
 Unscaled step for mode   70=       -0.0000000811
 Unscaled step for mode   71=       -0.0000000052
 Unscaled step for mode   72=        0.0000002026
 Unscaled step for mode   73=        0.0000000896
 Unscaled step for mode   74=       -0.0000002305
 Unscaled step for mode   75=       -0.0000001853
 Unscaled step for mode   76=       -0.0000002106
 Unscaled step for mode   77=       -0.0000000360
 Unscaled step for mode   78=       -0.0000004171
 Unscaled step for mode   79=       -0.0000003562
 Unscaled step for mode   80=       -0.0000001167
 Unscaled step for mode   81=        0.0000001357
 Unscaled step for mode   82=        0.0000001924
 Unscaled step for mode   83=       -0.0000001129
 Unscaled step for mode   84=        0.0000001998
 Unscaled step for mode   85=       -0.0000003560
 Unscaled step for mode   86=        0.0000004574
 Unscaled step for mode   87=       -0.0000000264
 Unscaled step for mode   88=        0.0000000163
 Unscaled step for mode   89=        0.0000004688
 Unscaled step for mode   90=       -0.0000002315
 Unscaled step for mode   91=        0.0000000031
 Unscaled step for mode   92=       -0.0000006082
 Unscaled step for mode   93=       -0.0000006702
 Unscaled step for mode   94=        0.0000003844
 Unscaled step for mode   95=       -0.0000006607
 Unscaled step for mode   96=       -0.0000002014
 Unscaled step for mode   97=        0.0000005330
 Unscaled step for mode   98=        0.0000004180
 Unscaled step for mode   99=       -0.0000011118
 Unscaled step for mode  100=       -0.0000008582
 Unscaled step for mode  101=       -0.0000029550
 Unscaled step for mode  102=        0.0000016301
 Unscaled step for mode  103=       -0.0000010518
 Unscaled step for mode  104=       -0.0000014596
 Unscaled step for mode  105=       -0.0000010946
 Unscaled step for mode  106=       -0.0000000557
 Unscaled step for mode  107=       -0.0000054101
 Unscaled step for mode  108=        0.0000047515
 Unscaled step for mode  109=        0.0000051152
 Unscaled step for mode  110=       -0.0000069758
 Unscaled step for mode  111=       -0.0000236669
 Unscaled step for mode  112=        0.0000013689
 Unscaled step for mode  113=       -0.0008305376
 Unscaled step for mode  114=       -0.0640152433
 Largest modulus ratio of non-zero e/values=           150.2228159    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.708418E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.514671E-15    0.100758E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.406722E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.629813E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.162630E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.849594E-15    0.973581E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.264610E-06    0.721943E+03  0.366525E-09 0.100000E-04    0.961880E+00
   8   -0.132880E-05    0.671297E+03  0.197946E-08 0.100000E-04    0.979806E+00
   9    0.747017E-06    0.624228E+03 -0.119671E-08 0.100000E-04    0.989092E+00
  10    0.146586E-05    0.603932E+03 -0.242719E-08 0.100000E-04    0.997069E+00
  11   -0.100258E-05    0.589627E+03  0.170036E-08 0.100000E-04    0.999777E+00
  12    0.311766E-05    0.564922E+03 -0.551874E-08 0.100000E-04    0.995500E+00
  13    0.124430E-05    0.563166E+03 -0.220947E-08 0.100000E-04    0.972507E+00
  14   -0.569071E-05    0.478808E+03  0.118851E-07 0.100000E-04    0.999502E+00
  15    0.176428E-05    0.469377E+03 -0.375876E-08 0.100000E-04    0.993524E+00
  16    0.184064E-05    0.462926E+03 -0.397610E-08 0.100000E-04    0.993317E+00
  17    0.164399E-05    0.441417E+03 -0.372435E-08 0.100000E-04    0.996325E+00
  18    0.366164E-05    0.431294E+03 -0.848989E-08 0.100000E-04    0.994978E+00
  19    0.801075E-05    0.420678E+03 -0.190425E-07 0.100000E-04    0.994867E+00
  20    0.848233E-05    0.406132E+03 -0.208857E-07 0.100000E-04    0.999112E+00
  21    0.542453E-05    0.398222E+03 -0.136219E-07 0.100000E-04    0.996097E+00
  22    0.503985E-06    0.388553E+03 -0.129708E-08 0.100000E-04    0.957193E+00
  23   -0.174793E-05    0.367026E+03  0.476241E-08 0.100000E-04    0.994487E+00
  24    0.183678E-05    0.363534E+03 -0.505256E-08 0.100000E-04    0.998258E+00
  25   -0.978195E-05    0.352304E+03  0.277657E-07 0.100000E-04    0.994050E+00
  26   -0.153120E-04    0.341937E+03  0.447801E-07 0.100000E-04    0.993477E+00
  27   -0.785062E-05    0.324359E+03  0.242035E-07 0.100000E-04    0.993778E+00
  28   -0.425197E-05    0.322193E+03  0.131970E-07 0.100000E-04    0.988681E+00
  29   -0.729994E-05    0.318326E+03  0.229323E-07 0.100000E-04    0.988452E+00
  30   -0.105080E-04    0.317165E+03  0.331309E-07 0.100000E-04    0.980396E+00
  31   -0.304207E-05    0.305252E+03  0.996577E-08 0.100000E-04    0.984630E+00
  32   -0.862757E-06    0.287433E+03  0.300159E-08 0.100000E-04    0.980876E+00
  33    0.512862E-05    0.279774E+03 -0.183313E-07 0.100000E-04    0.995119E+00
  34    0.251886E-05    0.271269E+03 -0.928547E-08 0.100000E-04    0.995216E+00
  35    0.148780E-04    0.265780E+03 -0.559784E-07 0.100000E-04    0.993743E+00
  36    0.338257E-05    0.262464E+03 -0.128878E-07 0.100000E-04    0.987986E+00
  37   -0.685109E-05    0.257839E+03  0.265712E-07 0.100000E-04    0.992279E+00
  38   -0.329952E-05    0.253460E+03  0.130179E-07 0.100000E-04    0.993631E+00
  39   -0.109036E-04    0.243520E+03  0.447748E-07 0.100000E-04    0.995063E+00
  40    0.644760E-05    0.238975E+03 -0.269802E-07 0.100000E-04    0.987585E+00
  41    0.794521E-05    0.234698E+03 -0.338529E-07 0.100000E-04    0.987954E+00
  42   -0.330459E-05    0.228602E+03  0.144556E-07 0.100000E-04    0.990009E+00
  43    0.282418E-05    0.223928E+03 -0.126120E-07 0.100000E-04    0.985873E+00
  44   -0.463349E-05    0.212691E+03  0.217850E-07 0.100000E-04    0.976794E+00
  45    0.372854E-05    0.211349E+03 -0.176416E-07 0.100000E-04    0.998320E+00
  46    0.740606E-05    0.209386E+03 -0.353704E-07 0.100000E-04    0.988518E+00
  47   -0.163252E-04    0.203015E+03  0.804140E-07 0.100000E-04    0.992434E+00
  48   -0.360893E-06    0.198384E+03  0.181917E-08 0.100000E-04    0.946439E+00
  49   -0.922842E-05    0.195457E+03  0.472146E-07 0.100000E-04    0.990707E+00
  50    0.624347E-05    0.191616E+03 -0.325832E-07 0.100000E-04    0.998435E+00
  51   -0.638694E-05    0.186120E+03  0.343162E-07 0.100000E-04    0.991070E+00
  52    0.265387E-06    0.177571E+03 -0.149454E-08 0.100000E-04    0.969937E+00
  53   -0.634058E-05    0.170809E+03  0.371209E-07 0.100000E-04    0.993856E+00
  54   -0.391468E-05    0.168037E+03  0.232966E-07 0.100000E-04    0.985761E+00
  55    0.123764E-04    0.165696E+03 -0.746934E-07 0.100000E-04    0.994120E+00
  56   -0.433383E-05    0.160446E+03  0.270112E-07 0.100000E-04    0.998292E+00
  57    0.225039E-05    0.153554E+03 -0.146554E-07 0.100000E-04    0.988175E+00
  58   -0.100066E-04    0.151014E+03  0.662627E-07 0.100000E-04    0.994117E+00
  59   -0.616814E-05    0.148851E+03  0.414383E-07 0.100000E-04    0.993084E+00
  60    0.106548E-04    0.142728E+03 -0.746513E-07 0.100000E-04    0.991396E+00
  61    0.826354E-05    0.136928E+03 -0.603497E-07 0.100000E-04    0.994015E+00
  62    0.226216E-04    0.134905E+03 -0.167685E-06 0.100000E-04    0.995857E+00
  63    0.147724E-04    0.130969E+03 -0.112793E-06 0.100000E-04    0.996462E+00
  64    0.421121E-05    0.127665E+03 -0.329863E-07 0.100000E-04    0.985246E+00
  65   -0.720988E-06    0.125864E+03  0.572832E-08 0.100000E-04    0.956630E+00
  66   -0.164206E-04    0.124863E+03  0.131509E-06 0.100000E-04    0.995241E+00
  67   -0.133788E-05    0.119444E+03  0.112009E-07 0.100000E-04    0.982346E+00
  68    0.465691E-05    0.117945E+03 -0.394837E-07 0.100000E-04    0.993755E+00
  69   -0.453599E-06    0.116546E+03  0.389203E-08 0.100000E-04    0.962684E+00
  70    0.910593E-05    0.112335E+03 -0.810608E-07 0.100000E-04    0.988626E+00
  71    0.572303E-06    0.109826E+03 -0.521100E-08 0.100000E-04    0.975343E+00
  72   -0.213580E-04    0.105407E+03  0.202625E-06 0.100000E-04    0.994273E+00
  73   -0.921351E-05    0.102846E+03  0.895856E-07 0.100000E-04    0.988875E+00
  74    0.231207E-04    0.100328E+03 -0.230450E-06 0.100000E-04    0.996386E+00
  75    0.180046E-04    0.971447E+02 -0.185337E-06 0.100000E-04    0.989022E+00
  76    0.200242E-04    0.950793E+02 -0.210605E-06 0.100000E-04    0.993560E+00
  77    0.327469E-05    0.910543E+02 -0.359641E-07 0.100000E-04    0.899330E+00
  78    0.379019E-04    0.908727E+02 -0.417088E-06 0.100000E-04    0.992717E+00
  79    0.315772E-04    0.886488E+02 -0.356205E-06 0.100000E-04    0.999584E+00
  80    0.986298E-05    0.845272E+02 -0.116684E-06 0.100000E-04    0.991036E+00
  81   -0.109758E-04    0.808857E+02  0.135695E-06 0.100000E-04    0.994727E+00
  82   -0.152446E-04    0.792376E+02  0.192391E-06 0.100000E-04    0.998787E+00
  83    0.887317E-05    0.786201E+02 -0.112861E-06 0.100000E-04    0.992681E+00
  84   -0.145645E-04    0.729079E+02  0.199766E-06 0.100000E-04    0.993800E+00
  85    0.254444E-04    0.714651E+02 -0.356040E-06 0.100000E-04    0.995956E+00
  86   -0.315689E-04    0.690183E+02  0.457399E-06 0.100000E-04    0.996108E+00
  87    0.179160E-05    0.678024E+02 -0.264238E-07 0.100000E-04    0.913348E+00
  88   -0.103601E-05    0.634385E+02  0.163310E-07 0.100000E-04    0.995852E+00
  89   -0.290439E-04    0.619538E+02  0.468799E-06 0.100000E-04    0.994824E+00
  90    0.138124E-04    0.596549E+02 -0.231538E-06 0.100000E-04    0.997276E+00
  91   -0.184055E-06    0.587025E+02  0.313539E-08 0.100000E-04    0.914640E+00
  92    0.339607E-04    0.558386E+02 -0.608193E-06 0.100000E-04    0.992147E+00
  93    0.358800E-04    0.535351E+02 -0.670215E-06 0.100000E-04    0.998779E+00
  94   -0.200887E-04    0.522567E+02  0.384423E-06 0.100000E-04    0.994497E+00
  95    0.332337E-04    0.502981E+02 -0.660734E-06 0.100000E-04    0.999220E+00
  96    0.966210E-05    0.479845E+02 -0.201359E-06 0.100000E-04    0.994151E+00
  97   -0.231641E-04    0.434612E+02  0.532985E-06 0.100000E-04    0.996001E+00
  98   -0.166925E-04    0.399313E+02  0.418030E-06 0.100000E-04    0.994132E+00
  99    0.413564E-04    0.371975E+02 -0.111181E-05 0.100000E-04    0.990062E+00
 100    0.310651E-04    0.361980E+02 -0.858200E-06 0.100000E-04    0.997230E+00
 101    0.103613E-03    0.350640E+02 -0.295496E-05 0.100000E-04    0.996440E+00
 102   -0.475611E-04    0.291766E+02  0.163011E-05 0.100000E-04    0.993174E+00
 103    0.304217E-04    0.289233E+02 -0.105181E-05 0.100000E-04    0.994715E+00
 104    0.419324E-04    0.287280E+02 -0.145964E-05 0.100000E-04    0.999859E+00
 105    0.254306E-04    0.232319E+02 -0.109464E-05 0.100000E-04    0.991389E+00
 106    0.122195E-05    0.219297E+02 -0.557213E-07 0.100000E-04    0.816135E+00
 107    0.106180E-03    0.196262E+02 -0.541010E-05 0.100000E-04    0.996668E+00
 108   -0.794908E-04    0.167297E+02  0.475149E-05 0.100000E-04    0.997739E+00
 109   -0.706585E-04    0.138133E+02  0.511523E-05 0.100000E-04    0.997636E+00
 110    0.869707E-04    0.124674E+02 -0.697585E-05 0.100000E-04    0.992117E+00
 111    0.262599E-03    0.110957E+02 -0.100000E-04 0.100000E-04    0.879202E+00
 112   -0.129937E-04    0.949198E+01  0.136891E-05 0.100000E-04    0.993223E+00
 113    0.631914E-02    0.760849E+01 -0.120328E-04 0.120328E-04    0.305800E+00
 114   -0.308911E+00    0.480582E+01 -0.400000E-03 0.400000E-03    0.187885E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6401524328E-01

 Beginning of optimization cycle  142.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3929723815
 potential> RMS force:                                               0.0291180659   |gradient|=.3108958683    
 Eigenvalues of the Hessian matrix:
   722.00307    671.31294    624.24690    603.94383    589.62426    564.94269 
   563.20456    478.82600    469.35472    462.91581    441.41531    431.28396 
   420.68595    406.14243    398.21855    388.55630    367.02803    363.52425 
   352.29469    341.89823    324.36538    322.17870    318.32254    317.16650 
   305.24854    287.43668    279.76983    271.26302    265.78121    262.47321 
   257.84416    253.46155    243.50870    238.96263    234.71003    228.60425 
   223.90947    212.69153    211.35405    209.37369    203.01749    198.37927 
   195.45887    191.61589    186.11232    177.55663    170.81243    168.03391 
   165.69455    160.44101    153.55128    151.01304    148.85680    142.73188 
   136.92820    134.91058    130.96795    127.66494    125.86704    124.86949 
   119.44506    117.94502    116.54921    112.32713    109.81624    105.40277 
   102.84677    100.32420     97.14187     95.08018     91.04837     90.87990 
    88.66032     84.52887     80.88588     79.24116     78.61797     72.90529 
    71.46829     69.00908     67.80486     63.43721     61.94578     59.65479 
    58.70550     55.83931     53.53198     52.25577     50.29776     47.98356 
    43.45670     39.93395     37.19163     36.19687     35.07148     29.16846 
    28.92130     28.72810     23.22733     21.93022     19.62820     16.73149 
    13.81239     12.46478     11.08409      9.49376      7.60861      4.80507 
overlap for current and previous eigenvector    109 is         0.9999978315
overlap for current and previous eigenvector    110 is        -0.9999960818
overlap for current and previous eigenvector    111 is        -0.9999933221
overlap for current and previous eigenvector    112 is         0.9999992027
overlap for current and previous eigenvector    113 is         0.9999990800
overlap for current and previous eigenvector    114 is         0.9999994374
J1,K1,R1,R2,RAT=   7   7   -0.5000045211E-01     2.049834558        0.9499995479    
FOB,PFOB,DIAG,PSTEP=   -0.2778417098E-06   -0.2646099929E-06     722.0030661        0.3665246809E-09
J1,K1,R1,R2,RAT=   8   8   -0.1556779039E-02     2.001509913        0.9984432210    
FOB,PFOB,DIAG,PSTEP=   -0.1330871703E-05   -0.1328803002E-05     671.3129424        0.1979455566E-08
J1,K1,R1,R2,RAT=   9   9    0.7844870793E-02     1.992094259        0.9920942585    
FOB,PFOB,DIAG,PSTEP=    0.7411568540E-06    0.7470172865E-06     624.2469007       -0.1196706018E-08
J1,K1,R1,R2,RAT=  10  10   -0.7655887533E-02     2.007618283        0.9923441125    
FOB,PFOB,DIAG,PSTEP=    0.1477080739E-05    0.1465858083E-05     603.9438299       -0.2427188709E-08
J1,K1,R1,R2,RAT=  11  11   -0.3690840241E-02     2.003700143        0.9963091598    
FOB,PFOB,DIAG,PSTEP=   -0.1006281166E-05   -0.1002580818E-05     589.6242624        0.1700364483E-08
J1,K1,R1,R2,RAT= 109 109   -0.1698769391E-02     2.001837404        0.9983012306    
FOB,PFOB,DIAG,PSTEP=   -0.7077852608E-04   -0.7065850190E-04     13.81238699        0.5115234931E-05
J1,K1,R1,R2,RAT= 110 110     2.015625792       -0.1520547839E-01    0.9847945216    
FOB,PFOB,DIAG,PSTEP=   -0.8829282087E-04    0.8697066811E-04     12.46477511       -0.6975849442E-05
J1,K1,R1,R2,RAT= 111 111     4.860456506       -0.1221457040        0.8778542960    
FOB,PFOB,DIAG,PSTEP=   -0.2761381620E-03    0.2625994171E-03     11.08409423       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.3938278746E-01     1.960242794        0.9602427941    
FOB,PFOB,DIAG,PSTEP=   -0.1248185339E-04   -0.1299367641E-04     9.493756833        0.1368911130E-05
J1,K1,R1,R2,RAT= 113 113   -0.8844880192         138.9281076        0.1155119808    
FOB,PFOB,DIAG,PSTEP=    0.6400117927E-02    0.6319140564E-02     7.608608662       -0.1203279246E-04
J1,K1,R1,R2,RAT= 114 114    0.9981051491        -322.4412660        0.1894850892E-02
FOB,PFOB,DIAG,PSTEP=   -0.3108297557       -0.3089113697         4.805069875       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00001      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00001     -0.00001 
    -0.00001     -0.00002      0.00001      0.00000     -0.00000      0.00002 
     0.00000     -0.00000     -0.00000      0.00001      0.00000      0.00002 
    -0.00001     -0.00002      0.00002     -0.00002      0.00000      0.00004 
    -0.00003     -0.00001      0.00001     -0.00002      0.00001      0.00001 
     0.00003     -0.00003      0.00000      0.00000     -0.00003     -0.00001 
     0.00000     -0.00003     -0.00004      0.00002     -0.00003     -0.00001 
    -0.00002      0.00002      0.00004     -0.00003      0.00010     -0.00005 
    -0.00003     -0.00004     -0.00003     -0.00000      0.00011     -0.00008 
    -0.00007     -0.00009     -0.00028     -0.00001      0.00640     -0.31083 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385759791
 Log product of positive Hessian eigenvalues =          520.3624066627
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8050698746
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000020
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=       -0.0000000022
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000040
 Unscaled step for mode   17=       -0.0000000038
 Unscaled step for mode   18=       -0.0000000085
 Unscaled step for mode   19=       -0.0000000192
 Unscaled step for mode   20=       -0.0000000209
 Unscaled step for mode   21=       -0.0000000137
 Unscaled step for mode   22=       -0.0000000014
 Unscaled step for mode   23=        0.0000000048
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000279
 Unscaled step for mode   26=        0.0000000451
 Unscaled step for mode   27=        0.0000000243
 Unscaled step for mode   28=        0.0000000130
 Unscaled step for mode   29=        0.0000000225
 Unscaled step for mode   30=        0.0000000337
 Unscaled step for mode   31=        0.0000000100
 Unscaled step for mode   32=        0.0000000031
 Unscaled step for mode   33=       -0.0000000185
 Unscaled step for mode   34=       -0.0000000094
 Unscaled step for mode   35=       -0.0000000562
 Unscaled step for mode   36=       -0.0000000131
 Unscaled step for mode   37=        0.0000000268
 Unscaled step for mode   38=        0.0000000130
 Unscaled step for mode   39=        0.0000000450
 Unscaled step for mode   40=       -0.0000000272
 Unscaled step for mode   41=       -0.0000000343
 Unscaled step for mode   42=        0.0000000146
 Unscaled step for mode   43=       -0.0000000127
 Unscaled step for mode   44=        0.0000000220
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000356
 Unscaled step for mode   47=        0.0000000808
 Unscaled step for mode   48=        0.0000000017
 Unscaled step for mode   49=        0.0000000475
 Unscaled step for mode   50=       -0.0000000329
 Unscaled step for mode   51=        0.0000000345
 Unscaled step for mode   52=       -0.0000000015
 Unscaled step for mode   53=        0.0000000373
 Unscaled step for mode   54=        0.0000000235
 Unscaled step for mode   55=       -0.0000000750
 Unscaled step for mode   56=        0.0000000272
 Unscaled step for mode   57=        0.0000000148
 Unscaled step for mode   58=       -0.0000000668
 Unscaled step for mode   59=       -0.0000000415
 Unscaled step for mode   60=        0.0000000749
 Unscaled step for mode   61=        0.0000000609
 Unscaled step for mode   62=        0.0000001685
 Unscaled step for mode   63=       -0.0000001136
 Unscaled step for mode   64=       -0.0000000334
 Unscaled step for mode   65=        0.0000000057
 Unscaled step for mode   66=       -0.0000001324
 Unscaled step for mode   67=       -0.0000000112
 Unscaled step for mode   68=        0.0000000398
 Unscaled step for mode   69=        0.0000000042
 Unscaled step for mode   70=       -0.0000000816
 Unscaled step for mode   71=       -0.0000000054
 Unscaled step for mode   72=       -0.0000002044
 Unscaled step for mode   73=        0.0000000905
 Unscaled step for mode   74=        0.0000002317
 Unscaled step for mode   75=       -0.0000001870
 Unscaled step for mode   76=        0.0000002118
 Unscaled step for mode   77=       -0.0000000392
 Unscaled step for mode   78=       -0.0000004192
 Unscaled step for mode   79=        0.0000003568
 Unscaled step for mode   80=        0.0000001175
 Unscaled step for mode   81=       -0.0000001366
 Unscaled step for mode   82=        0.0000001926
 Unscaled step for mode   83=       -0.0000001129
 Unscaled step for mode   84=       -0.0000002018
 Unscaled step for mode   85=       -0.0000003586
 Unscaled step for mode   86=        0.0000004594
 Unscaled step for mode   87=       -0.0000000246
 Unscaled step for mode   88=       -0.0000000172
 Unscaled step for mode   89=        0.0000004719
 Unscaled step for mode   90=        0.0000002338
 Unscaled step for mode   91=       -0.0000000027
 Unscaled step for mode   92=        0.0000006119
 Unscaled step for mode   93=        0.0000006729
 Unscaled step for mode   94=       -0.0000003882
 Unscaled step for mode   95=        0.0000006626
 Unscaled step for mode   96=        0.0000002014
 Unscaled step for mode   97=        0.0000005371
 Unscaled step for mode   98=       -0.0000004206
 Unscaled step for mode   99=       -0.0000011295
 Unscaled step for mode  100=        0.0000008569
 Unscaled step for mode  101=       -0.0000029660
 Unscaled step for mode  102=        0.0000016516
 Unscaled step for mode  103=        0.0000010461
 Unscaled step for mode  104=        0.0000014672
 Unscaled step for mode  105=        0.0000011033
 Unscaled step for mode  106=        0.0000000664
 Unscaled step for mode  107=       -0.0000054399
 Unscaled step for mode  108=        0.0000047289
 Unscaled step for mode  109=        0.0000051243
 Unscaled step for mode  110=        0.0000070834
 Unscaled step for mode  111=        0.0000249130
 Unscaled step for mode  112=        0.0000013147
 Unscaled step for mode  113=       -0.0008411674
 Unscaled step for mode  114=       -0.0644194284
 Largest modulus ratio of non-zero e/values=           150.2585987    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.477266E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.319514E-15    0.100758E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.562809E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.153089E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.586937E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.159622E-15    0.973583E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.277842E-06    0.722003E+03  0.384821E-09 0.100000E-04    0.950000E+00
   8   -0.133087E-05    0.671313E+03  0.198249E-08 0.100000E-04    0.998443E+00
   9    0.741157E-06    0.624247E+03 -0.118728E-08 0.100000E-04    0.992094E+00
  10    0.147708E-05    0.603944E+03 -0.244573E-08 0.100000E-04    0.992344E+00
  11   -0.100628E-05    0.589624E+03  0.170665E-08 0.100000E-04    0.996309E+00
  12    0.312045E-05    0.564943E+03 -0.552348E-08 0.100000E-04    0.999106E+00
  13    0.123206E-05    0.563205E+03 -0.218759E-08 0.100000E-04    0.990029E+00
  14   -0.569664E-05    0.478826E+03  0.118971E-07 0.100000E-04    0.998957E+00
  15    0.175577E-05    0.469355E+03 -0.374081E-08 0.100000E-04    0.995178E+00
  16    0.186544E-05    0.462916E+03 -0.402975E-08 0.100000E-04    0.986530E+00
  17    0.167133E-05    0.441415E+03 -0.378630E-08 0.100000E-04    0.983369E+00
  18    0.367080E-05    0.431284E+03 -0.851134E-08 0.100000E-04    0.997497E+00
  19    0.805996E-05    0.420686E+03 -0.191591E-07 0.100000E-04    0.993857E+00
  20    0.850774E-05    0.406142E+03 -0.209477E-07 0.100000E-04    0.997005E+00
  21    0.545446E-05    0.398219E+03 -0.136972E-07 0.100000E-04    0.994482E+00
  22    0.531216E-06    0.388556E+03 -0.136715E-08 0.100000E-04    0.945970E+00
  23   -0.174492E-05    0.367028E+03  0.475418E-08 0.100000E-04    0.998266E+00
  24    0.183180E-05    0.363524E+03 -0.503901E-08 0.100000E-04    0.997290E+00
  25   -0.983590E-05    0.352295E+03  0.279195E-07 0.100000E-04    0.994484E+00
  26   -0.154152E-04    0.341898E+03  0.450870E-07 0.100000E-04    0.993259E+00
  27   -0.788853E-05    0.324365E+03  0.243199E-07 0.100000E-04    0.995171E+00
  28   -0.419558E-05    0.322179E+03  0.130225E-07 0.100000E-04    0.986737E+00
  29   -0.717545E-05    0.318323E+03  0.225415E-07 0.100000E-04    0.982947E+00
  30   -0.107027E-04    0.317167E+03  0.337446E-07 0.100000E-04    0.981471E+00
  31   -0.306546E-05    0.305249E+03  0.100425E-07 0.100000E-04    0.992311E+00
  32   -0.886694E-06    0.287437E+03  0.308483E-08 0.100000E-04    0.972256E+00
  33    0.516719E-05    0.279770E+03 -0.184694E-07 0.100000E-04    0.992478E+00
  34    0.255262E-05    0.271263E+03 -0.941014E-08 0.100000E-04    0.986595E+00
  35    0.149448E-04    0.265781E+03 -0.562295E-07 0.100000E-04    0.995510E+00
  36    0.343090E-05    0.262473E+03 -0.130714E-07 0.100000E-04    0.985712E+00
  37   -0.689859E-05    0.257844E+03  0.267549E-07 0.100000E-04    0.993067E+00
  38   -0.330265E-05    0.253462E+03  0.130302E-07 0.100000E-04    0.999051E+00
  39   -0.109685E-04    0.243509E+03  0.450436E-07 0.100000E-04    0.994044E+00
  40    0.651020E-05    0.238963E+03 -0.272436E-07 0.100000E-04    0.990290E+00
  41    0.804028E-05    0.234710E+03 -0.342562E-07 0.100000E-04    0.988036E+00
  42   -0.333055E-05    0.228604E+03  0.145691E-07 0.100000E-04    0.992143E+00
  43    0.284456E-05    0.223909E+03 -0.127040E-07 0.100000E-04    0.992785E+00
  44   -0.467568E-05    0.212692E+03  0.219834E-07 0.100000E-04    0.990893E+00
  45    0.373888E-05    0.211354E+03 -0.176901E-07 0.100000E-04    0.997226E+00
  46    0.745594E-05    0.209374E+03 -0.356107E-07 0.100000E-04    0.993265E+00
  47   -0.164107E-04    0.203017E+03  0.808339E-07 0.100000E-04    0.994765E+00
  48   -0.343277E-06    0.198379E+03  0.173041E-08 0.100000E-04    0.951186E+00
  49   -0.928797E-05    0.195459E+03  0.475188E-07 0.100000E-04    0.993547E+00
  50    0.630081E-05    0.191616E+03 -0.328825E-07 0.100000E-04    0.990815E+00
  51   -0.641646E-05    0.186112E+03  0.344763E-07 0.100000E-04    0.995379E+00
  52    0.262658E-06    0.177557E+03 -0.147929E-08 0.100000E-04    0.989716E+00
  53   -0.636420E-05    0.170812E+03  0.372584E-07 0.100000E-04    0.996275E+00
  54   -0.394835E-05    0.168034E+03  0.234974E-07 0.100000E-04    0.991398E+00
  55    0.124329E-04    0.165695E+03 -0.750348E-07 0.100000E-04    0.995438E+00
  56   -0.436435E-05    0.160441E+03  0.272022E-07 0.100000E-04    0.992959E+00
  57   -0.226607E-05    0.153551E+03  0.147577E-07 0.100000E-04    0.993033E+00
  58    0.100806E-04    0.151013E+03 -0.667535E-07 0.100000E-04    0.992601E+00
  59    0.617084E-05    0.148857E+03 -0.414549E-07 0.100000E-04    0.999561E+00
  60   -0.106943E-04    0.142732E+03  0.749261E-07 0.100000E-04    0.996293E+00
  61   -0.834119E-05    0.136928E+03  0.609165E-07 0.100000E-04    0.990604E+00
  62   -0.227334E-04    0.134911E+03  0.168507E-06 0.100000E-04    0.995059E+00
  63    0.148738E-04    0.130968E+03 -0.113568E-06 0.100000E-04    0.993138E+00
  64    0.426161E-05    0.127665E+03 -0.333812E-07 0.100000E-04    0.988031E+00
  65   -0.714205E-06    0.125867E+03  0.567428E-08 0.100000E-04    0.990541E+00
  66    0.165282E-04    0.124869E+03 -0.132364E-06 0.100000E-04    0.993447E+00
  67    0.133204E-05    0.119445E+03 -0.111519E-07 0.100000E-04    0.995624E+00
  68   -0.469241E-05    0.117945E+03  0.397848E-07 0.100000E-04    0.992375E+00
  69   -0.485996E-06    0.116549E+03  0.416988E-08 0.100000E-04    0.928579E+00
  70    0.916641E-05    0.112327E+03 -0.816046E-07 0.100000E-04    0.993358E+00
  71    0.593977E-06    0.109816E+03 -0.540882E-08 0.100000E-04    0.962126E+00
  72    0.215458E-04    0.105403E+03 -0.204414E-06 0.100000E-04    0.991207E+00
  73   -0.930428E-05    0.102847E+03  0.904674E-07 0.100000E-04    0.990148E+00
  74   -0.232497E-04    0.100324E+03  0.231746E-06 0.100000E-04    0.994421E+00
  75    0.181616E-04    0.971419E+02 -0.186960E-06 0.100000E-04    0.991277E+00
  76   -0.201399E-04    0.950802E+02  0.211820E-06 0.100000E-04    0.994223E+00
  77    0.356758E-05    0.910484E+02 -0.391833E-07 0.100000E-04    0.910553E+00
  78    0.380948E-04    0.908799E+02 -0.419177E-06 0.100000E-04    0.994911E+00
  79   -0.316313E-04    0.886603E+02  0.356770E-06 0.100000E-04    0.998286E+00
  80   -0.993503E-05    0.845289E+02  0.117534E-06 0.100000E-04    0.992695E+00
  81    0.110487E-04    0.808859E+02 -0.136596E-06 0.100000E-04    0.993359E+00
  82   -0.152649E-04    0.792412E+02  0.192638E-06 0.100000E-04    0.998670E+00
  83    0.887428E-05    0.786180E+02 -0.112878E-06 0.100000E-04    0.999875E+00
  84    0.147144E-04    0.729053E+02 -0.201829E-06 0.100000E-04    0.989709E+00
  85    0.256267E-04    0.714683E+02 -0.358575E-06 0.100000E-04    0.992834E+00
  86   -0.317049E-04    0.690091E+02  0.459431E-06 0.100000E-04    0.995691E+00
  87    0.166579E-05    0.678049E+02 -0.245675E-07 0.100000E-04    0.929712E+00
  88    0.109363E-05    0.634372E+02 -0.172395E-07 0.100000E-04    0.944388E+00
  89   -0.292305E-04    0.619458E+02  0.471873E-06 0.100000E-04    0.993572E+00
  90   -0.139485E-04    0.596548E+02  0.233820E-06 0.100000E-04    0.990145E+00
  91    0.160592E-06    0.587055E+02 -0.273554E-08 0.100000E-04    0.872422E+00
  92   -0.341682E-04    0.558393E+02  0.611902E-06 0.100000E-04    0.993889E+00
  93   -0.360193E-04    0.535320E+02  0.672856E-06 0.100000E-04    0.996117E+00
  94    0.202862E-04    0.522558E+02 -0.388210E-06 0.100000E-04    0.990166E+00
  95   -0.333261E-04    0.502978E+02  0.662576E-06 0.100000E-04    0.997219E+00
  96   -0.966302E-05    0.479836E+02  0.201382E-06 0.100000E-04    0.999905E+00
  97   -0.233425E-04    0.434567E+02  0.537144E-06 0.100000E-04    0.992299E+00
  98    0.167946E-04    0.399340E+02 -0.420558E-06 0.100000E-04    0.993886E+00
  99    0.420086E-04    0.371916E+02 -0.112952E-05 0.100000E-04    0.984227E+00
 100   -0.310164E-04    0.361969E+02  0.856880E-06 0.100000E-04    0.998429E+00
 101    0.104024E-03    0.350715E+02 -0.296605E-05 0.100000E-04    0.996034E+00
 102   -0.481750E-04    0.291685E+02  0.165161E-05 0.100000E-04    0.987088E+00
 103   -0.302550E-04    0.289213E+02  0.104611E-05 0.100000E-04    0.994520E+00
 104   -0.421513E-04    0.287281E+02  0.146725E-05 0.100000E-04    0.994782E+00
 105   -0.256278E-04    0.232273E+02  0.110335E-05 0.100000E-04    0.992244E+00
 106   -0.145712E-05    0.219302E+02  0.664436E-07 0.100000E-04    0.807549E+00
 107    0.106776E-03    0.196282E+02 -0.543991E-05 0.100000E-04    0.994388E+00
 108   -0.791220E-04    0.167315E+02  0.472892E-05 0.100000E-04    0.995143E+00
 109   -0.707785E-04    0.138124E+02  0.512428E-05 0.100000E-04    0.998301E+00
 110   -0.882928E-04    0.124648E+02  0.708339E-05 0.100000E-04    0.984795E+00
 111   -0.276138E-03    0.110841E+02  0.100000E-04 0.100000E-04    0.877854E+00
 112   -0.124819E-04    0.949376E+01  0.131474E-05 0.100000E-04    0.960243E+00
 113    0.640012E-02    0.760861E+01 -0.131157E-04 0.131157E-04    0.115512E+00
 114   -0.310830E+00    0.480507E+01 -0.400000E-03 0.400000E-03    0.189485E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6441942842E-01

 Beginning of optimization cycle  143.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3928477521
 potential> RMS force:                                               0.0292978118   |gradient|=.3128150287    
 Eigenvalues of the Hessian matrix:
   722.06292    671.32854    624.26578    603.95518    589.62135    564.96338 
   563.24274    478.84380    469.33200    462.90524    441.41339    431.27415 
   420.69372    406.15332    398.21472    388.56002    367.03044    363.51402 
   352.28593    341.85962    324.37140    322.16506    318.31968    317.16705 
   305.24541    287.43993    279.76535    271.25710    265.78243    262.48240 
   257.84925    253.46352    243.49735    238.94991    234.72170    228.60649 
   223.89054    212.69185    211.35931    209.36126    203.02039    198.37496 
   195.46088    191.61567    186.10453    177.54207    170.81600    168.03103 
   165.69320    160.43639    153.54856    151.01200    148.86255    142.73553 
   136.92861    134.91574    130.96671    127.66456    125.87029    124.87597 
   119.44586    117.94504    116.55267    112.31969    109.80658    105.39896 
   102.84764    100.31995     97.13896     95.08099     91.04253     90.88711 
    88.67183     84.53054     80.88605     79.24477     78.61583     72.90269 
    71.47148     68.99981     67.80729     63.43598     61.93768     59.65467 
    58.70844     55.84000     53.52881     52.25489     50.29735     47.98261 
    43.45224     39.93660     37.18581     36.19554     35.07893     29.16039 
    28.91925     28.72821     23.22279     21.93073     19.63021     16.73328 
    13.81144     12.46219     11.07248      9.49554      7.60870      4.80429 
overlap for current and previous eigenvector    109 is         0.9999978574
overlap for current and previous eigenvector    110 is         0.9999961690
overlap for current and previous eigenvector    111 is         0.9999934051
overlap for current and previous eigenvector    112 is         0.9999991816
overlap for current and previous eigenvector    113 is         0.9999990737
overlap for current and previous eigenvector    114 is         0.9999994409
J1,K1,R1,R2,RAT=   7   7   -0.3595785389E-01     2.035792081        0.9640421461    
FOB,PFOB,DIAG,PSTEP=   -0.2878331295E-06   -0.2778417098E-06     722.0629152        0.3848206785E-09
J1,K1,R1,R2,RAT=   8   8   -0.1970815355E-01     2.019661686        0.9802918464    
FOB,PFOB,DIAG,PSTEP=   -0.1357101336E-05   -0.1330871703E-05     671.3285398        0.1982490756E-08
J1,K1,R1,R2,RAT=   9   9   -0.1055965067E-01     2.010499174        0.9894403493    
FOB,PFOB,DIAG,PSTEP=    0.7489834482E-06    0.7411568540E-06     624.2657775       -0.1187281592E-08
J1,K1,R1,R2,RAT=  10  10    0.2886839500E-02     1.997075559        0.9970755592    
FOB,PFOB,DIAG,PSTEP=    0.1472816563E-05    0.1477080739E-05     603.9551846       -0.2445725356E-08
J1,K1,R1,R2,RAT=  11  11    0.1926197574E-03     1.999817267        0.9998073802    
FOB,PFOB,DIAG,PSTEP=   -0.1006087337E-05   -0.1006281166E-05     589.6213477        0.1706648166E-08
J1,K1,R1,R2,RAT= 109 109   -0.2274484335E-02     2.002411695        0.9977255157    
FOB,PFOB,DIAG,PSTEP=   -0.7093949969E-04   -0.7077852608E-04     13.81143945        0.5124279109E-05
J1,K1,R1,R2,RAT= 110 110   -0.7697141485E-02     2.008111988        0.9923028585    
FOB,PFOB,DIAG,PSTEP=   -0.8897228227E-04   -0.8829282087E-04     12.46219016        0.7083386593E-05
J1,K1,R1,R2,RAT= 111 111   -0.1305648381         5.118391807        0.8694351619    
FOB,PFOB,DIAG,PSTEP=   -0.2905949324E-03   -0.2761381620E-03     11.07248362        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6461034805E-02     1.993164432        0.9931644315    
FOB,PFOB,DIAG,PSTEP=   -0.1240119260E-04   -0.1248185339E-04     9.495535031        0.1314743322E-05
J1,K1,R1,R2,RAT= 113 113   -0.7283688065         128.9953323        0.2716311935    
FOB,PFOB,DIAG,PSTEP=    0.6472804551E-02    0.6400117927E-02     7.608696029       -0.1311574378E-04
J1,K1,R1,R2,RAT= 114 114    0.9980957853        -324.4900252        0.1904214739E-02
FOB,PFOB,DIAG,PSTEP=   -0.3127478120       -0.3108297557         4.804289186       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00001     -0.00001 
    -0.00001     -0.00002      0.00001      0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00000     -0.00001      0.00000      0.00002 
    -0.00001     -0.00002      0.00002     -0.00002     -0.00000     -0.00004 
    -0.00003     -0.00001      0.00001      0.00002     -0.00001      0.00001 
     0.00003     -0.00003      0.00000      0.00000     -0.00003     -0.00001 
     0.00000     -0.00003     -0.00004      0.00002     -0.00003     -0.00001 
    -0.00002      0.00002      0.00004     -0.00003      0.00010     -0.00005 
    -0.00003     -0.00004     -0.00003     -0.00000      0.00011     -0.00008 
    -0.00007     -0.00009     -0.00029     -0.00001      0.00647     -0.31275 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385940925
 Log product of positive Hessian eigenvalues =          520.3603998795
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8042891863
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000020
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=       -0.0000000021
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000041
 Unscaled step for mode   17=       -0.0000000038
 Unscaled step for mode   18=       -0.0000000086
 Unscaled step for mode   19=       -0.0000000193
 Unscaled step for mode   20=       -0.0000000210
 Unscaled step for mode   21=       -0.0000000137
 Unscaled step for mode   22=       -0.0000000014
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000281
 Unscaled step for mode   26=        0.0000000454
 Unscaled step for mode   27=        0.0000000245
 Unscaled step for mode   28=        0.0000000129
 Unscaled step for mode   29=        0.0000000222
 Unscaled step for mode   30=        0.0000000344
 Unscaled step for mode   31=        0.0000000102
 Unscaled step for mode   32=        0.0000000031
 Unscaled step for mode   33=       -0.0000000186
 Unscaled step for mode   34=       -0.0000000095
 Unscaled step for mode   35=       -0.0000000566
 Unscaled step for mode   36=       -0.0000000132
 Unscaled step for mode   37=        0.0000000270
 Unscaled step for mode   38=        0.0000000131
 Unscaled step for mode   39=        0.0000000453
 Unscaled step for mode   40=       -0.0000000276
 Unscaled step for mode   41=       -0.0000000347
 Unscaled step for mode   42=        0.0000000147
 Unscaled step for mode   43=       -0.0000000129
 Unscaled step for mode   44=        0.0000000225
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000360
 Unscaled step for mode   47=        0.0000000814
 Unscaled step for mode   48=        0.0000000016
 Unscaled step for mode   49=        0.0000000480
 Unscaled step for mode   50=       -0.0000000329
 Unscaled step for mode   51=        0.0000000348
 Unscaled step for mode   52=       -0.0000000014
 Unscaled step for mode   53=        0.0000000375
 Unscaled step for mode   54=        0.0000000238
 Unscaled step for mode   55=       -0.0000000755
 Unscaled step for mode   56=        0.0000000272
 Unscaled step for mode   57=        0.0000000149
 Unscaled step for mode   58=       -0.0000000671
 Unscaled step for mode   59=       -0.0000000417
 Unscaled step for mode   60=        0.0000000756
 Unscaled step for mode   61=        0.0000000613
 Unscaled step for mode   62=        0.0000001692
 Unscaled step for mode   63=       -0.0000001140
 Unscaled step for mode   64=       -0.0000000339
 Unscaled step for mode   65=        0.0000000054
 Unscaled step for mode   66=        0.0000001330
 Unscaled step for mode   67=        0.0000000113
 Unscaled step for mode   68=        0.0000000400
 Unscaled step for mode   69=       -0.0000000043
 Unscaled step for mode   70=        0.0000000825
 Unscaled step for mode   71=       -0.0000000055
 Unscaled step for mode   72=       -0.0000002056
 Unscaled step for mode   73=        0.0000000915
 Unscaled step for mode   74=        0.0000002326
 Unscaled step for mode   75=       -0.0000001890
 Unscaled step for mode   76=        0.0000002132
 Unscaled step for mode   77=        0.0000000436
 Unscaled step for mode   78=        0.0000004220
 Unscaled step for mode   79=        0.0000003568
 Unscaled step for mode   80=        0.0000001186
 Unscaled step for mode   81=       -0.0000001373
 Unscaled step for mode   82=       -0.0000001924
 Unscaled step for mode   83=        0.0000001137
 Unscaled step for mode   84=       -0.0000002031
 Unscaled step for mode   85=       -0.0000003600
 Unscaled step for mode   86=        0.0000004612
 Unscaled step for mode   87=       -0.0000000220
 Unscaled step for mode   88=       -0.0000000172
 Unscaled step for mode   89=        0.0000004744
 Unscaled step for mode   90=        0.0000002345
 Unscaled step for mode   91=       -0.0000000024
 Unscaled step for mode   92=        0.0000006166
 Unscaled step for mode   93=        0.0000006737
 Unscaled step for mode   94=       -0.0000003903
 Unscaled step for mode   95=        0.0000006630
 Unscaled step for mode   96=        0.0000002025
 Unscaled step for mode   97=        0.0000005393
 Unscaled step for mode   98=       -0.0000004230
 Unscaled step for mode   99=       -0.0000011409
 Unscaled step for mode  100=        0.0000008541
 Unscaled step for mode  101=       -0.0000029756
 Unscaled step for mode  102=        0.0000016639
 Unscaled step for mode  103=        0.0000010391
 Unscaled step for mode  104=        0.0000014674
 Unscaled step for mode  105=        0.0000011129
 Unscaled step for mode  106=        0.0000000540
 Unscaled step for mode  107=       -0.0000054570
 Unscaled step for mode  108=        0.0000047180
 Unscaled step for mode  109=        0.0000051363
 Unscaled step for mode  110=        0.0000071394
 Unscaled step for mode  111=        0.0000262448
 Unscaled step for mode  112=        0.0000013060
 Unscaled step for mode  113=       -0.0008507108
 Unscaled step for mode  114=       -0.0648240735
 Largest modulus ratio of non-zero e/values=           150.2954729    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.459485E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.460678E-15    0.100758E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.133001E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.984022E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.437530E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.113624E-15    0.973584E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.287833E-06    0.722063E+03  0.398626E-09 0.100000E-04    0.964042E+00
   8   -0.135710E-05    0.671329E+03  0.202152E-08 0.100000E-04    0.980292E+00
   9    0.748983E-06    0.624266E+03 -0.119978E-08 0.100000E-04    0.989440E+00
  10    0.147282E-05    0.603955E+03 -0.243862E-08 0.100000E-04    0.997076E+00
  11   -0.100609E-05    0.589621E+03  0.170633E-08 0.100000E-04    0.999807E+00
  12    0.313399E-05    0.564963E+03 -0.554724E-08 0.100000E-04    0.995661E+00
  13    0.119615E-05    0.563243E+03 -0.212369E-08 0.100000E-04    0.970722E+00
  14   -0.569368E-05    0.478844E+03  0.118905E-07 0.100000E-04    0.999405E+00
  15    0.176692E-05    0.469332E+03 -0.376476E-08 0.100000E-04    0.993648E+00
  16    0.187792E-05    0.462905E+03 -0.405681E-08 0.100000E-04    0.993309E+00
  17    0.167758E-05    0.441413E+03 -0.380048E-08 0.100000E-04    0.996259E+00
  18    0.368892E-05    0.431274E+03 -0.855354E-08 0.100000E-04    0.995065E+00
  19    0.810090E-05    0.420694E+03 -0.192561E-07 0.100000E-04    0.994921E+00
  20    0.851482E-05    0.406153E+03 -0.209646E-07 0.100000E-04    0.999168E+00
  21    0.547534E-05    0.398215E+03 -0.137497E-07 0.100000E-04    0.996172E+00
  22    0.552267E-06    0.388560E+03 -0.142132E-08 0.100000E-04    0.960371E+00
  23   -0.173503E-05    0.367030E+03  0.472722E-08 0.100000E-04    0.994324E+00
  24    0.182831E-05    0.363514E+03 -0.502954E-08 0.100000E-04    0.998091E+00
  25   -0.989374E-05    0.352286E+03  0.280844E-07 0.100000E-04    0.994119E+00
  26   -0.155146E-04    0.341860E+03  0.453830E-07 0.100000E-04    0.993549E+00
  27   -0.793723E-05    0.324371E+03  0.244696E-07 0.100000E-04    0.993828E+00
  28   -0.414466E-05    0.322165E+03  0.128650E-07 0.100000E-04    0.987864E+00
  29   -0.707566E-05    0.318320E+03  0.222281E-07 0.100000E-04    0.986092E+00
  30   -0.109068E-04    0.317167E+03  0.343882E-07 0.100000E-04    0.980925E+00
  31   -0.311184E-05    0.305245E+03  0.101945E-07 0.100000E-04    0.984869E+00
  32   -0.903190E-06    0.287440E+03  0.314219E-08 0.100000E-04    0.981396E+00
  33    0.519219E-05    0.279765E+03 -0.185591E-07 0.100000E-04    0.995161E+00
  34    0.256510E-05    0.271257E+03 -0.945633E-08 0.100000E-04    0.995113E+00
  35    0.150367E-04    0.265782E+03 -0.565754E-07 0.100000E-04    0.993845E+00
  36    0.347201E-05    0.262482E+03 -0.132276E-07 0.100000E-04    0.988020E+00
  37   -0.695137E-05    0.257849E+03  0.269590E-07 0.100000E-04    0.992350E+00
  38   -0.332314E-05    0.253464E+03  0.131109E-07 0.100000E-04    0.993798E+00
  39   -0.110217E-04    0.243497E+03  0.452642E-07 0.100000E-04    0.995149E+00
  40    0.658919E-05    0.238950E+03 -0.275756E-07 0.100000E-04    0.987867E+00
  41    0.813655E-05    0.234722E+03 -0.346646E-07 0.100000E-04    0.988027E+00
  42   -0.336341E-05    0.228606E+03  0.147126E-07 0.100000E-04    0.990136E+00
  43    0.288429E-05    0.223891E+03 -0.128826E-07 0.100000E-04    0.986029E+00
  44   -0.478142E-05    0.212692E+03  0.224805E-07 0.100000E-04    0.977385E+00
  45    0.373183E-05    0.211359E+03 -0.176563E-07 0.100000E-04    0.998064E+00
  46    0.753987E-05    0.209361E+03 -0.360137E-07 0.100000E-04    0.988742E+00
  47   -0.165330E-04    0.203020E+03  0.814349E-07 0.100000E-04    0.992550E+00
  48   -0.322483E-06    0.198375E+03  0.162562E-08 0.100000E-04    0.939422E+00
  49   -0.937326E-05    0.195461E+03  0.479547E-07 0.100000E-04    0.990818E+00
  50    0.631042E-05    0.191616E+03 -0.329327E-07 0.100000E-04    0.998475E+00
  51   -0.647310E-05    0.186105E+03  0.347821E-07 0.100000E-04    0.991172E+00
  52    0.254173E-06    0.177542E+03 -0.143162E-08 0.100000E-04    0.967694E+00
  53   -0.640268E-05    0.170816E+03  0.374829E-07 0.100000E-04    0.993954E+00
  54   -0.400374E-05    0.168031E+03  0.238274E-07 0.100000E-04    0.985972E+00
  55    0.125048E-04    0.165693E+03 -0.754696E-07 0.100000E-04    0.994214E+00
  56   -0.437168E-05    0.160436E+03  0.272487E-07 0.100000E-04    0.998319E+00
  57   -0.229262E-05    0.153549E+03  0.149309E-07 0.100000E-04    0.988284E+00
  58    0.101399E-04    0.151012E+03 -0.671462E-07 0.100000E-04    0.994124E+00
  59    0.621193E-05    0.148863E+03 -0.417293E-07 0.100000E-04    0.993343E+00
  60   -0.107848E-04    0.142736E+03  0.755580E-07 0.100000E-04    0.991541E+00
  61   -0.839096E-05    0.136929E+03  0.612798E-07 0.100000E-04    0.994033E+00
  62   -0.228258E-04    0.134916E+03  0.169186E-06 0.100000E-04    0.995934E+00
  63    0.149257E-04    0.130967E+03 -0.113965E-06 0.100000E-04    0.996511E+00
  64    0.432405E-05    0.127665E+03 -0.338704E-07 0.100000E-04    0.985349E+00
  65   -0.681665E-06    0.125870E+03  0.541562E-08 0.100000E-04    0.954388E+00
  66   -0.166057E-04    0.124876E+03  0.132978E-06 0.100000E-04    0.995313E+00
  67   -0.135536E-05    0.119446E+03  0.113471E-07 0.100000E-04    0.982494E+00
  68   -0.472135E-05    0.117945E+03  0.400301E-07 0.100000E-04    0.993834E+00
  69    0.502573E-06    0.116553E+03 -0.431198E-08 0.100000E-04    0.965892E+00
  70   -0.926904E-05    0.112320E+03  0.825237E-07 0.100000E-04    0.988803E+00
  71    0.608275E-06    0.109807E+03 -0.553951E-08 0.100000E-04    0.975925E+00
  72    0.216685E-04    0.105399E+03 -0.205585E-06 0.100000E-04    0.994306E+00
  73   -0.940615E-05    0.102848E+03  0.914572E-07 0.100000E-04    0.989051E+00
  74   -0.233318E-04    0.100320E+03  0.232573E-06 0.100000E-04    0.996472E+00
  75    0.183589E-04    0.971390E+02 -0.188996E-06 0.100000E-04    0.989138E+00
  76   -0.202675E-04    0.950810E+02  0.213160E-06 0.100000E-04    0.993664E+00
  77   -0.396688E-05    0.910425E+02  0.435718E-07 0.100000E-04    0.888066E+00
  78   -0.383538E-04    0.908871E+02  0.421994E-06 0.100000E-04    0.993200E+00
  79   -0.316388E-04    0.886718E+02  0.356808E-06 0.100000E-04    0.999762E+00
  80   -0.100228E-04    0.845305E+02  0.118570E-06 0.100000E-04    0.991165E+00
  81    0.111061E-04    0.808860E+02 -0.137305E-06 0.100000E-04    0.994804E+00
  82    0.152451E-04    0.792448E+02 -0.192380E-06 0.100000E-04    0.998612E+00
  83   -0.893960E-05    0.786158E+02  0.113712E-06 0.100000E-04    0.992639E+00
  84    0.148049E-04    0.729027E+02 -0.203078E-06 0.100000E-04    0.993846E+00
  85    0.257291E-04    0.714715E+02 -0.359991E-06 0.100000E-04    0.996004E+00
  86   -0.318240E-04    0.689998E+02  0.461219E-06 0.100000E-04    0.996243E+00
  87    0.148949E-05    0.678073E+02 -0.219666E-07 0.100000E-04    0.894096E+00
  88    0.108865E-05    0.634360E+02 -0.171614E-07 0.100000E-04    0.995451E+00
  89   -0.293803E-04    0.619377E+02  0.474353E-06 0.100000E-04    0.994875E+00
  90   -0.139862E-04    0.596547E+02  0.234453E-06 0.100000E-04    0.997294E+00
  91    0.143730E-06    0.587084E+02 -0.244819E-08 0.100000E-04    0.894906E+00
  92   -0.344314E-04    0.558400E+02  0.616609E-06 0.100000E-04    0.992296E+00
  93   -0.360602E-04    0.535288E+02  0.673661E-06 0.100000E-04    0.998864E+00
  94    0.203967E-04    0.522549E+02 -0.390332E-06 0.100000E-04    0.994552E+00
  95   -0.333489E-04    0.502973E+02  0.663035E-06 0.100000E-04    0.999315E+00
  96   -0.971863E-05    0.479826E+02  0.202545E-06 0.100000E-04    0.994244E+00
  97   -0.234345E-04    0.434522E+02  0.539315E-06 0.100000E-04    0.996060E+00
  98    0.168924E-04    0.399366E+02 -0.422980E-06 0.100000E-04    0.994175E+00
  99    0.424242E-04    0.371858E+02 -0.114087E-05 0.100000E-04    0.990106E+00
 100   -0.309164E-04    0.361955E+02  0.854149E-06 0.100000E-04    0.996777E+00
 101    0.104382E-03    0.350789E+02 -0.297564E-05 0.100000E-04    0.996555E+00
 102   -0.485214E-04    0.291604E+02  0.166395E-05 0.100000E-04    0.992807E+00
 103   -0.300486E-04    0.289192E+02  0.103905E-05 0.100000E-04    0.993179E+00
 104   -0.421562E-04    0.287282E+02  0.146741E-05 0.100000E-04    0.999883E+00
 105   -0.258437E-04    0.232228E+02  0.111286E-05 0.100000E-04    0.991573E+00
 106   -0.118528E-05    0.219307E+02  0.540464E-07 0.100000E-04    0.813394E+00
 107    0.107122E-03    0.196302E+02 -0.545699E-05 0.100000E-04    0.996759E+00
 108   -0.789475E-04    0.167333E+02  0.471799E-05 0.100000E-04    0.997581E+00
 109   -0.709395E-04    0.138114E+02  0.513629E-05 0.100000E-04    0.997726E+00
 110   -0.889723E-04    0.124622E+02  0.713938E-05 0.100000E-04    0.992303E+00
 111   -0.290595E-03    0.110725E+02  0.100000E-04 0.100000E-04    0.869435E+00
 112   -0.124012E-04    0.949554E+01  0.130600E-05 0.100000E-04    0.993164E+00
 113    0.647280E-02    0.760870E+01 -0.118160E-04 0.118160E-04    0.271631E+00
 114   -0.312748E+00    0.480429E+01 -0.400000E-03 0.400000E-03    0.190421E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6482407353E-01

 Beginning of optimization cycle  144.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3927223484
 potential> RMS force:                                               0.0294775449   |gradient|=.3147340537    
 Eigenvalues of the Hessian matrix:
   722.12284    671.34419    624.28463    603.96629    589.61848    564.98403 
   563.28085    478.86168    469.30929    462.89466    441.41146    431.26426 
   420.70143    406.16419    398.21086    388.56370    367.03282    363.50383 
   352.27710    341.82099    324.37738    322.15168    318.31745    317.16673 
   305.24221    287.44321    279.76084    271.25114    265.78367    262.49156 
   257.85426    253.46549    243.48602    238.93709    234.73334    228.60867 
   223.87157    212.69222    211.36452    209.34880    203.02327    198.37063 
   195.46285    191.61546    186.09669    177.52754    170.81963    168.02809 
   165.69183    160.43176    153.54590    151.01095    148.86832    142.73920 
   136.92902    134.92089    130.96551    127.66418    125.87353    124.88243 
   119.44668    117.94509    116.55614    112.31227    109.79693    105.39518 
   102.84852    100.31570     97.13602     95.08182     91.03671     90.89432 
    88.68332     84.53220     80.88621     79.24837     78.61369     72.90012 
    71.47473     68.99056     67.80973     63.43477     61.92960     59.65455 
    58.71139     55.84073     53.52563     52.25404     50.29693     47.98168 
    43.44779     39.93926     37.18007     36.19421     35.08642     29.15241 
    28.91714     28.72831     23.21825     21.93121     19.63230     16.73506 
    13.81051     12.45962     11.06085      9.49730      7.60879      4.80348 
overlap for current and previous eigenvector    109 is         0.9999978893
overlap for current and previous eigenvector    110 is         0.9999962487
overlap for current and previous eigenvector    111 is         0.9999934955
overlap for current and previous eigenvector    112 is        -0.9999991632
overlap for current and previous eigenvector    113 is         0.9999990649
overlap for current and previous eigenvector    114 is         0.9999994437
J1,K1,R1,R2,RAT=   7   7   -0.4661302078E-01     2.046447060        0.9533869792    
FOB,PFOB,DIAG,PSTEP=   -0.3012510146E-06   -0.2878331295E-06     722.1228371        0.3986261079E-09
J1,K1,R1,R2,RAT=   8   8   -0.1714004133E-02     2.001667374        0.9982859959    
FOB,PFOB,DIAG,PSTEP=   -0.1359427468E-05   -0.1357101336E-05     671.3441922        0.2021515928E-08
J1,K1,R1,R2,RAT=   9   9    0.7690809549E-02     1.992248786        0.9922487864    
FOB,PFOB,DIAG,PSTEP=    0.7432229851E-06    0.7489834482E-06     624.2846322       -0.1199782969E-08
J1,K1,R1,R2,RAT=  10  10   -0.7571810975E-02     2.007535053        0.9924281890    
FOB,PFOB,DIAG,PSTEP=    0.1483968657E-05    0.1472816563E-05     603.9662850       -0.2438618959E-08
J1,K1,R1,R2,RAT=  11  11   -0.3663263511E-02     2.003673002        0.9963367365    
FOB,PFOB,DIAG,PSTEP=   -0.1009772882E-05   -0.1006087337E-05     589.6184766        0.1706327868E-08
J1,K1,R1,R2,RAT= 109 109   -0.1617561348E-02     2.001752200        0.9983824387    
FOB,PFOB,DIAG,PSTEP=   -0.7105424095E-04   -0.7093949969E-04     13.81050973        0.5136285753E-05
J1,K1,R1,R2,RAT= 110 110   -0.1483929161E-01     2.015251049        0.9851607084    
FOB,PFOB,DIAG,PSTEP=   -0.9029229614E-04   -0.8897228227E-04     12.45962499        0.7139377679E-05
J1,K1,R1,R2,RAT= 111 111   -0.1317856724         5.386260974        0.8682143276    
FOB,PFOB,DIAG,PSTEP=   -0.3051715538E-03   -0.2905949324E-03     11.06085444        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.958539456        0.4108825409E-01    0.9585394560    
FOB,PFOB,DIAG,PSTEP=    0.1189155438E-04   -0.1240119260E-04     9.497302906        0.1306002511E-05
J1,K1,R1,R2,RAT= 113 113   -0.9221007170         144.9137164        0.7789928304E-01
FOB,PFOB,DIAG,PSTEP=    0.6555706290E-02    0.6472804551E-02     7.608785466       -0.1181598539E-04
J1,K1,R1,R2,RAT= 114 114    0.9980796053        -326.5407633        0.1920394709E-02
FOB,PFOB,DIAG,PSTEP=   -0.3146655157       -0.3127478120         4.803483962       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00001      0.00001 
    -0.00001      0.00002     -0.00002     -0.00000      0.00000      0.00002 
    -0.00000     -0.00000      0.00000     -0.00001      0.00000     -0.00002 
     0.00001     -0.00002      0.00002     -0.00002     -0.00000     -0.00004 
     0.00003      0.00001      0.00001     -0.00002      0.00001      0.00001 
     0.00003     -0.00003      0.00000      0.00000     -0.00003     -0.00001 
     0.00000     -0.00003     -0.00004      0.00002     -0.00003     -0.00001 
     0.00002      0.00002      0.00004     -0.00003     -0.00010      0.00005 
     0.00003      0.00004      0.00003     -0.00000      0.00011     -0.00008 
    -0.00007     -0.00009     -0.00031      0.00001      0.00656     -0.31467 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386084001
 Log product of positive Hessian eigenvalues =          520.3583951751
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8034839619
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000020
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=       -0.0000000021
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000041
 Unscaled step for mode   17=       -0.0000000039
 Unscaled step for mode   18=       -0.0000000086
 Unscaled step for mode   19=       -0.0000000194
 Unscaled step for mode   20=       -0.0000000210
 Unscaled step for mode   21=       -0.0000000138
 Unscaled step for mode   22=       -0.0000000015
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000282
 Unscaled step for mode   26=        0.0000000457
 Unscaled step for mode   27=        0.0000000246
 Unscaled step for mode   28=        0.0000000127
 Unscaled step for mode   29=        0.0000000218
 Unscaled step for mode   30=        0.0000000350
 Unscaled step for mode   31=        0.0000000103
 Unscaled step for mode   32=        0.0000000032
 Unscaled step for mode   33=       -0.0000000187
 Unscaled step for mode   34=       -0.0000000096
 Unscaled step for mode   35=       -0.0000000568
 Unscaled step for mode   36=       -0.0000000134
 Unscaled step for mode   37=        0.0000000271
 Unscaled step for mode   38=        0.0000000131
 Unscaled step for mode   39=        0.0000000455
 Unscaled step for mode   40=       -0.0000000278
 Unscaled step for mode   41=       -0.0000000351
 Unscaled step for mode   42=        0.0000000148
 Unscaled step for mode   43=       -0.0000000130
 Unscaled step for mode   44=        0.0000000227
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000363
 Unscaled step for mode   47=        0.0000000819
 Unscaled step for mode   48=        0.0000000015
 Unscaled step for mode   49=        0.0000000483
 Unscaled step for mode   50=       -0.0000000332
 Unscaled step for mode   51=        0.0000000349
 Unscaled step for mode   52=       -0.0000000014
 Unscaled step for mode   53=        0.0000000376
 Unscaled step for mode   54=        0.0000000240
 Unscaled step for mode   55=       -0.0000000758
 Unscaled step for mode   56=        0.0000000274
 Unscaled step for mode   57=        0.0000000150
 Unscaled step for mode   58=       -0.0000000676
 Unscaled step for mode   59=       -0.0000000417
 Unscaled step for mode   60=       -0.0000000758
 Unscaled step for mode   61=        0.0000000619
 Unscaled step for mode   62=       -0.0000001700
 Unscaled step for mode   63=        0.0000001147
 Unscaled step for mode   64=        0.0000000343
 Unscaled step for mode   65=       -0.0000000054
 Unscaled step for mode   66=       -0.0000001338
 Unscaled step for mode   67=        0.0000000113
 Unscaled step for mode   68=        0.0000000403
 Unscaled step for mode   69=       -0.0000000046
 Unscaled step for mode   70=        0.0000000831
 Unscaled step for mode   71=       -0.0000000057
 Unscaled step for mode   72=        0.0000002074
 Unscaled step for mode   73=       -0.0000000923
 Unscaled step for mode   74=        0.0000002339
 Unscaled step for mode   75=       -0.0000001906
 Unscaled step for mode   76=        0.0000002144
 Unscaled step for mode   77=        0.0000000482
 Unscaled step for mode   78=        0.0000004239
 Unscaled step for mode   79=       -0.0000003573
 Unscaled step for mode   80=       -0.0000001194
 Unscaled step for mode   81=       -0.0000001382
 Unscaled step for mode   82=        0.0000001926
 Unscaled step for mode   83=       -0.0000001137
 Unscaled step for mode   84=       -0.0000002051
 Unscaled step for mode   85=       -0.0000003625
 Unscaled step for mode   86=        0.0000004632
 Unscaled step for mode   87=       -0.0000000200
 Unscaled step for mode   88=       -0.0000000180
 Unscaled step for mode   89=        0.0000004774
 Unscaled step for mode   90=        0.0000002367
 Unscaled step for mode   91=       -0.0000000020
 Unscaled step for mode   92=        0.0000006203
 Unscaled step for mode   93=        0.0000006762
 Unscaled step for mode   94=       -0.0000003941
 Unscaled step for mode   95=        0.0000006648
 Unscaled step for mode   96=        0.0000002026
 Unscaled step for mode   97=       -0.0000005435
 Unscaled step for mode   98=       -0.0000004255
 Unscaled step for mode   99=       -0.0000011588
 Unscaled step for mode  100=        0.0000008524
 Unscaled step for mode  101=        0.0000029865
 Unscaled step for mode  102=       -0.0000016862
 Unscaled step for mode  103=       -0.0000010316
 Unscaled step for mode  104=       -0.0000014750
 Unscaled step for mode  105=       -0.0000011216
 Unscaled step for mode  106=        0.0000000648
 Unscaled step for mode  107=       -0.0000054861
 Unscaled step for mode  108=        0.0000046947
 Unscaled step for mode  109=        0.0000051449
 Unscaled step for mode  110=        0.0000072468
 Unscaled step for mode  111=        0.0000275902
 Unscaled step for mode  112=       -0.0000012521
 Unscaled step for mode  113=       -0.0008615963
 Unscaled step for mode  114=       -0.0652290443
 Largest modulus ratio of non-zero e/values=           150.3331421    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.178677E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.472712E-16    0.100758E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.440349E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.138196E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.259775E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.117880E-15    0.973586E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.301251E-06    0.722123E+03  0.417174E-09 0.100000E-04    0.953387E+00
   8   -0.135943E-05    0.671344E+03  0.202493E-08 0.100000E-04    0.998286E+00
   9    0.743223E-06    0.624285E+03 -0.119052E-08 0.100000E-04    0.992249E+00
  10    0.148397E-05    0.603966E+03 -0.245704E-08 0.100000E-04    0.992428E+00
  11   -0.100977E-05    0.589618E+03  0.171259E-08 0.100000E-04    0.996337E+00
  12    0.313675E-05    0.564984E+03 -0.555194E-08 0.100000E-04    0.999117E+00
  13    0.118287E-05    0.563281E+03 -0.209996E-08 0.100000E-04    0.988758E+00
  14   -0.569907E-05    0.478862E+03  0.119013E-07 0.100000E-04    0.999052E+00
  15    0.175852E-05    0.469309E+03 -0.374704E-08 0.100000E-04    0.995246E+00
  16    0.190276E-05    0.462895E+03 -0.411057E-08 0.100000E-04    0.986771E+00
  17    0.170487E-05    0.441411E+03 -0.386232E-08 0.100000E-04    0.983733E+00
  18    0.369812E-05    0.431264E+03 -0.857506E-08 0.100000E-04    0.997506E+00
  19    0.815016E-05    0.420701E+03 -0.193728E-07 0.100000E-04    0.993919E+00
  20    0.853967E-05    0.406164E+03 -0.210252E-07 0.100000E-04    0.997082E+00
  21    0.550503E-05    0.398211E+03 -0.138244E-07 0.100000E-04    0.994578E+00
  22    0.579793E-06    0.388564E+03 -0.149214E-08 0.100000E-04    0.950160E+00
  23   -0.173192E-05    0.367033E+03  0.471870E-08 0.100000E-04    0.998190E+00
  24    0.182306E-05    0.363504E+03 -0.501524E-08 0.100000E-04    0.997130E+00
  25   -0.994781E-05    0.352277E+03  0.282386E-07 0.100000E-04    0.994535E+00
  26   -0.156181E-04    0.341821E+03  0.456909E-07 0.100000E-04    0.993328E+00
  27   -0.797548E-05    0.324377E+03  0.245870E-07 0.100000E-04    0.995181E+00
  28   -0.408627E-05    0.322152E+03  0.126843E-07 0.100000E-04    0.985910E+00
  29   -0.693787E-05    0.318317E+03  0.217955E-07 0.100000E-04    0.980527E+00
  30   -0.111017E-04    0.317167E+03  0.350026E-07 0.100000E-04    0.982136E+00
  31   -0.313580E-05    0.305242E+03  0.102732E-07 0.100000E-04    0.992300E+00
  32   -0.927306E-06    0.287443E+03  0.322605E-08 0.100000E-04    0.973300E+00
  33    0.523090E-05    0.279761E+03 -0.186978E-07 0.100000E-04    0.992544E+00
  34    0.259902E-05    0.271251E+03 -0.958162E-08 0.100000E-04    0.986773E+00
  35    0.151032E-04    0.265784E+03 -0.568253E-07 0.100000E-04    0.995578E+00
  36    0.352099E-05    0.262492E+03 -0.134137E-07 0.100000E-04    0.985894E+00
  37   -0.699933E-05    0.257854E+03  0.271445E-07 0.100000E-04    0.993101E+00
  38   -0.332622E-05    0.253465E+03  0.131230E-07 0.100000E-04    0.999073E+00
  39   -0.110862E-04    0.243486E+03  0.455311E-07 0.100000E-04    0.994149E+00
  40    0.665185E-05    0.238937E+03 -0.278393E-07 0.100000E-04    0.990489E+00
  41    0.823315E-05    0.234733E+03 -0.350745E-07 0.100000E-04    0.988127E+00
  42   -0.338949E-05    0.228609E+03  0.148266E-07 0.100000E-04    0.992244E+00
  43    0.290526E-05    0.223872E+03 -0.129774E-07 0.100000E-04    0.992730E+00
  44   -0.482496E-05    0.212692E+03  0.226852E-07 0.100000E-04    0.990895E+00
  45    0.374200E-05    0.211365E+03 -0.177040E-07 0.100000E-04    0.997274E+00
  46    0.759026E-05    0.209349E+03 -0.362565E-07 0.100000E-04    0.993316E+00
  47   -0.166185E-04    0.203023E+03  0.818553E-07 0.100000E-04    0.994824E+00
  48   -0.304597E-06    0.198371E+03  0.153549E-08 0.100000E-04    0.944536E+00
  49   -0.943314E-05    0.195463E+03  0.482605E-07 0.100000E-04    0.993611E+00
  50    0.636771E-05    0.191615E+03 -0.332317E-07 0.100000E-04    0.990921E+00
  51   -0.650297E-05    0.186097E+03  0.349440E-07 0.100000E-04    0.995385E+00
  52    0.251319E-06    0.177528E+03 -0.141566E-08 0.100000E-04    0.988771E+00
  53   -0.642659E-05    0.170820E+03  0.376221E-07 0.100000E-04    0.996267E+00
  54   -0.403794E-05    0.168028E+03  0.240313E-07 0.100000E-04    0.991458E+00
  55    0.125611E-04    0.165692E+03 -0.758100E-07 0.100000E-04    0.995497E+00
  56   -0.440182E-05    0.160432E+03  0.274373E-07 0.100000E-04    0.993106E+00
  57   -0.230901E-05    0.153546E+03  0.150379E-07 0.100000E-04    0.992851E+00
  58    0.102144E-04    0.151011E+03 -0.676402E-07 0.100000E-04    0.992650E+00
  59    0.621393E-05    0.148868E+03 -0.417411E-07 0.100000E-04    0.999677E+00
  60    0.108248E-04    0.142739E+03 -0.758364E-07 0.100000E-04    0.996290E+00
  61   -0.846924E-05    0.136929E+03  0.618513E-07 0.100000E-04    0.990672E+00
  62    0.229369E-04    0.134921E+03 -0.170003E-06 0.100000E-04    0.995132E+00
  63   -0.150266E-04    0.130966E+03  0.114737E-06 0.100000E-04    0.993235E+00
  64   -0.437574E-05    0.127664E+03  0.342754E-07 0.100000E-04    0.988046E+00
  65    0.674676E-06    0.125874E+03 -0.535995E-08 0.100000E-04    0.989696E+00
  66    0.167131E-04    0.124882E+03 -0.133830E-06 0.100000E-04    0.993535E+00
  67   -0.134969E-05    0.119447E+03  0.112995E-07 0.100000E-04    0.995802E+00
  68   -0.475692E-05    0.117945E+03  0.403317E-07 0.100000E-04    0.992465E+00
  69    0.535258E-06    0.116556E+03 -0.459228E-08 0.100000E-04    0.934966E+00
  70   -0.932982E-05    0.112312E+03  0.830704E-07 0.100000E-04    0.993442E+00
  71    0.630202E-06    0.109797E+03 -0.573970E-08 0.100000E-04    0.963949E+00
  72   -0.218568E-04    0.105395E+03  0.207380E-06 0.100000E-04    0.991307E+00
  73    0.949758E-05    0.102849E+03 -0.923454E-07 0.100000E-04    0.990280E+00
  74   -0.234594E-04    0.100316E+03  0.233855E-06 0.100000E-04    0.994531E+00
  75    0.185184E-04    0.971360E+02 -0.190644E-06 0.100000E-04    0.991308E+00
  76   -0.203826E-04    0.950818E+02  0.214369E-06 0.100000E-04    0.994321E+00
  77   -0.438534E-05    0.910367E+02  0.481711E-07 0.100000E-04    0.894507E+00
  78   -0.385288E-04    0.908943E+02  0.423885E-06 0.100000E-04    0.995439E+00
  79    0.316880E-04    0.886833E+02 -0.357316E-06 0.100000E-04    0.998448E+00
  80    0.100950E-04    0.845322E+02 -0.119422E-06 0.100000E-04    0.992794E+00
  81    0.111786E-04    0.808862E+02 -0.138202E-06 0.100000E-04    0.993468E+00
  82   -0.152627E-04    0.792484E+02  0.192593E-06 0.100000E-04    0.998846E+00
  83    0.894208E-05    0.786137E+02 -0.113747E-06 0.100000E-04    0.999723E+00
  84    0.149554E-04    0.729001E+02 -0.205149E-06 0.100000E-04    0.989836E+00
  85    0.259114E-04    0.714747E+02 -0.362525E-06 0.100000E-04    0.992916E+00
  86   -0.319571E-04    0.689906E+02  0.463210E-06 0.100000E-04    0.995816E+00
  87    0.135616E-05    0.678097E+02 -0.199994E-07 0.100000E-04    0.910413E+00
  88    0.114486E-05    0.634348E+02 -0.180478E-07 0.100000E-04    0.948371E+00
  89   -0.295669E-04    0.619296E+02  0.477427E-06 0.100000E-04    0.993649E+00
  90   -0.141221E-04    0.596545E+02  0.236732E-06 0.100000E-04    0.990282E+00
  91    0.120218E-06    0.587114E+02 -0.204762E-08 0.100000E-04    0.836328E+00
  92   -0.346385E-04    0.558407E+02  0.620308E-06 0.100000E-04    0.993987E+00
  93   -0.361963E-04    0.535256E+02  0.676242E-06 0.100000E-04    0.996227E+00
  94    0.205940E-04    0.522540E+02 -0.394113E-06 0.100000E-04    0.990328E+00
  95   -0.334382E-04    0.502969E+02  0.664815E-06 0.100000E-04    0.997324E+00
  96   -0.971910E-05    0.479817E+02  0.202559E-06 0.100000E-04    0.999952E+00
  97    0.236130E-04    0.434478E+02 -0.543480E-06 0.100000E-04    0.992381E+00
  98    0.169952E-04    0.399393E+02 -0.425527E-06 0.100000E-04    0.993911E+00
  99    0.430848E-04    0.371801E+02 -0.115881E-05 0.100000E-04    0.984426E+00
 100   -0.308502E-04    0.361942E+02  0.852351E-06 0.100000E-04    0.997858E+00
 101   -0.104785E-03    0.350864E+02  0.298648E-05 0.100000E-04    0.996140E+00
 102    0.491570E-04    0.291524E+02 -0.168621E-05 0.100000E-04    0.986897E+00
 103    0.298301E-04    0.289171E+02 -0.103157E-05 0.100000E-04    0.992726E+00
 104    0.423731E-04    0.287283E+02 -0.147496E-05 0.100000E-04    0.994855E+00
 105    0.260424E-04    0.232182E+02 -0.112163E-05 0.100000E-04    0.992312E+00
 106   -0.142064E-05    0.219312E+02  0.647769E-07 0.100000E-04    0.801435E+00
 107    0.107706E-03    0.196323E+02 -0.548615E-05 0.100000E-04    0.994549E+00
 108   -0.785660E-04    0.167351E+02  0.469469E-05 0.100000E-04    0.994955E+00
 109   -0.710542E-04    0.138105E+02  0.514494E-05 0.100000E-04    0.998382E+00
 110   -0.902923E-04    0.124596E+02  0.724679E-05 0.100000E-04    0.985161E+00
 111   -0.305172E-03    0.110609E+02  0.100000E-04 0.100000E-04    0.868214E+00
 112    0.118916E-04    0.949730E+01 -0.125210E-05 0.100000E-04    0.958539E+00
 113    0.655571E-02    0.760879E+01 -0.128794E-04 0.128794E-04    0.778993E-01
 114   -0.314666E+00    0.480348E+01 -0.400000E-03 0.400000E-03    0.192039E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6522904428E-01

 Beginning of optimization cycle  145.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3925961857
 potential> RMS force:                                               0.0296572296   |gradient|=.3166525607    
 Eigenvalues of the Hessian matrix:
   722.18272    671.35971    624.30337    603.97738    589.61544    565.00475 
   563.31893    478.87958    469.28656    462.88413    441.40957    431.25446 
   420.70917    406.17508    398.20702    388.56737    367.03527    363.49363 
   352.26837    341.78246    324.38342    322.13851    318.31577    317.16563 
   305.23901    287.44653    279.75632    271.24525    265.78498    262.50080 
   257.85944    253.46749    243.47480    238.92430    234.74502    228.61087 
   223.85261    212.69272    211.36977    209.33630    203.02619    198.36634 
   195.46480    191.61526    186.08880    177.51300    170.82328    168.02515 
   165.69047    160.42707    153.54331    151.00990    148.87401    142.74282 
   136.92943    134.92606    130.96427    127.66382    125.87675    124.88887 
   119.44751    117.94513    116.55958    112.30483    109.78721    105.39138 
   102.84942    100.31147     97.13301     95.08264     91.03096     90.90153 
    88.69479     84.53388     80.88638     79.25198     78.61154     72.89755 
    71.47794     68.98129     67.81210     63.43359     61.92143     59.65443 
    58.71433     55.84146     53.52241     52.25319     50.29649     47.98072 
    43.44334     39.94190     37.17441     36.19271     35.09387     29.14450 
    28.91498     28.72839     23.21375     21.93169     19.63439     16.73681 
    13.80959     12.45709     11.04917      9.49907      7.60884      4.80264 
overlap for current and previous eigenvector    109 is         0.9999979145
overlap for current and previous eigenvector    110 is         0.9999963325
overlap for current and previous eigenvector    111 is         0.9999935735
overlap for current and previous eigenvector    112 is         0.9999991402
overlap for current and previous eigenvector    113 is         0.9999990581
overlap for current and previous eigenvector    114 is         0.9999994471
J1,K1,R1,R2,RAT=   7   7   -0.3406698127E-01     2.033901140        0.9659330187    
FOB,PFOB,DIAG,PSTEP=   -0.3115145783E-06   -0.3012510146E-06     722.1827211        0.4171741968E-09
J1,K1,R1,R2,RAT=   8   8   -0.1924094934E-01     2.019194715        0.9807590507    
FOB,PFOB,DIAG,PSTEP=   -0.1385584748E-05   -0.1359427468E-05     671.3597123        0.2024933683E-08
J1,K1,R1,R2,RAT=   9   9   -0.1021691726E-01     2.010156901        0.9897830827    
FOB,PFOB,DIAG,PSTEP=    0.7508166607E-06    0.7432229851E-06     624.3033663       -0.1190519431E-08
J1,K1,R1,R2,RAT=  10  10    0.2879171532E-02     1.997084079        0.9970840788    
FOB,PFOB,DIAG,PSTEP=    0.1479695978E-05    0.1483968657E-05     603.9773830       -0.2457038901E-08
J1,K1,R1,R2,RAT=  11  11    0.1627408073E-03     1.999847572        0.9998372592    
FOB,PFOB,DIAG,PSTEP=   -0.1009608552E-05   -0.1009772882E-05     589.6154362        0.1712586906E-08
J1,K1,R1,R2,RAT= 109 109   -0.2189341867E-02     2.002322565        0.9978106581    
FOB,PFOB,DIAG,PSTEP=   -0.7120979262E-04   -0.7105424095E-04     13.80958986        0.5144939783E-05
J1,K1,R1,R2,RAT= 110 110   -0.7512544741E-02     2.007918935        0.9924874553    
FOB,PFOB,DIAG,PSTEP=   -0.9097048325E-04   -0.9029229614E-04     12.45709377        0.7246790833E-05
J1,K1,R1,R2,RAT= 111 111   -0.1401656333         5.664045791        0.8598343667    
FOB,PFOB,DIAG,PSTEP=   -0.3206586979E-03   -0.3051715538E-03     11.04917359        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6450247097E-02     1.993177403        0.9931774025    
FOB,PFOB,DIAG,PSTEP=    0.1181483663E-04    0.1189155438E-04     9.499071398       -0.1252098043E-05
J1,K1,R1,R2,RAT= 113 113   -0.7627448865         134.5560608        0.2372551135    
FOB,PFOB,DIAG,PSTEP=    0.6630453394E-02    0.6555706290E-02     7.608843000       -0.1287942407E-04
J1,K1,R1,R2,RAT= 114 114    0.9980697853        -328.5941812        0.1930214724E-02
FOB,PFOB,DIAG,PSTEP=   -0.3165828654       -0.3146655157         4.802644244       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00001      0.00001 
    -0.00001      0.00002     -0.00002     -0.00000      0.00000      0.00002 
     0.00000      0.00000     -0.00000      0.00001      0.00000     -0.00002 
    -0.00001     -0.00002      0.00002     -0.00002     -0.00000     -0.00004 
     0.00003      0.00001      0.00001     -0.00002     -0.00001      0.00002 
     0.00003     -0.00003     -0.00000      0.00000     -0.00003     -0.00001 
     0.00000     -0.00003     -0.00004      0.00002     -0.00003     -0.00001 
     0.00002      0.00002      0.00004     -0.00003     -0.00011      0.00005 
     0.00003      0.00004      0.00003     -0.00000      0.00011     -0.00008 
    -0.00007     -0.00009     -0.00032      0.00001      0.00663     -0.31658 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386244954
 Log product of positive Hessian eigenvalues =          520.3563691049
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8026442437
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000021
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000024
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=       -0.0000000020
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000041
 Unscaled step for mode   17=       -0.0000000039
 Unscaled step for mode   18=       -0.0000000086
 Unscaled step for mode   19=       -0.0000000195
 Unscaled step for mode   20=       -0.0000000210
 Unscaled step for mode   21=       -0.0000000139
 Unscaled step for mode   22=       -0.0000000015
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000284
 Unscaled step for mode   26=        0.0000000460
 Unscaled step for mode   27=        0.0000000247
 Unscaled step for mode   28=        0.0000000125
 Unscaled step for mode   29=        0.0000000214
 Unscaled step for mode   30=        0.0000000356
 Unscaled step for mode   31=        0.0000000104
 Unscaled step for mode   32=        0.0000000033
 Unscaled step for mode   33=       -0.0000000188
 Unscaled step for mode   34=       -0.0000000096
 Unscaled step for mode   35=       -0.0000000572
 Unscaled step for mode   36=       -0.0000000136
 Unscaled step for mode   37=        0.0000000273
 Unscaled step for mode   38=        0.0000000132
 Unscaled step for mode   39=        0.0000000458
 Unscaled step for mode   40=       -0.0000000282
 Unscaled step for mode   41=       -0.0000000355
 Unscaled step for mode   42=        0.0000000150
 Unscaled step for mode   43=       -0.0000000132
 Unscaled step for mode   44=        0.0000000232
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000367
 Unscaled step for mode   47=        0.0000000825
 Unscaled step for mode   48=        0.0000000014
 Unscaled step for mode   49=        0.0000000487
 Unscaled step for mode   50=       -0.0000000333
 Unscaled step for mode   51=        0.0000000353
 Unscaled step for mode   52=       -0.0000000014
 Unscaled step for mode   53=        0.0000000378
 Unscaled step for mode   54=        0.0000000244
 Unscaled step for mode   55=       -0.0000000762
 Unscaled step for mode   56=        0.0000000275
 Unscaled step for mode   57=        0.0000000152
 Unscaled step for mode   58=       -0.0000000680
 Unscaled step for mode   59=       -0.0000000420
 Unscaled step for mode   60=       -0.0000000765
 Unscaled step for mode   61=        0.0000000622
 Unscaled step for mode   62=       -0.0000001707
 Unscaled step for mode   63=        0.0000001151
 Unscaled step for mode   64=        0.0000000348
 Unscaled step for mode   65=       -0.0000000051
 Unscaled step for mode   66=       -0.0000001344
 Unscaled step for mode   67=       -0.0000000115
 Unscaled step for mode   68=       -0.0000000406
 Unscaled step for mode   69=        0.0000000047
 Unscaled step for mode   70=       -0.0000000840
 Unscaled step for mode   71=       -0.0000000059
 Unscaled step for mode   72=        0.0000002086
 Unscaled step for mode   73=        0.0000000933
 Unscaled step for mode   74=        0.0000002347
 Unscaled step for mode   75=       -0.0000001927
 Unscaled step for mode   76=        0.0000002157
 Unscaled step for mode   77=        0.0000000543
 Unscaled step for mode   78=        0.0000004264
 Unscaled step for mode   79=       -0.0000003573
 Unscaled step for mode   80=       -0.0000001205
 Unscaled step for mode   81=       -0.0000001389
 Unscaled step for mode   82=        0.0000001923
 Unscaled step for mode   83=        0.0000001146
 Unscaled step for mode   84=       -0.0000002064
 Unscaled step for mode   85=       -0.0000003639
 Unscaled step for mode   86=        0.0000004649
 Unscaled step for mode   87=        0.0000000173
 Unscaled step for mode   88=       -0.0000000180
 Unscaled step for mode   89=        0.0000004799
 Unscaled step for mode   90=        0.0000002374
 Unscaled step for mode   91=       -0.0000000018
 Unscaled step for mode   92=        0.0000006250
 Unscaled step for mode   93=        0.0000006770
 Unscaled step for mode   94=       -0.0000003962
 Unscaled step for mode   95=        0.0000006652
 Unscaled step for mode   96=        0.0000002037
 Unscaled step for mode   97=       -0.0000005456
 Unscaled step for mode   98=       -0.0000004280
 Unscaled step for mode   99=       -0.0000011704
 Unscaled step for mode  100=        0.0000008492
 Unscaled step for mode  101=        0.0000029958
 Unscaled step for mode  102=       -0.0000016994
 Unscaled step for mode  103=       -0.0000010228
 Unscaled step for mode  104=       -0.0000014751
 Unscaled step for mode  105=       -0.0000011311
 Unscaled step for mode  106=        0.0000000525
 Unscaled step for mode  107=       -0.0000055028
 Unscaled step for mode  108=        0.0000046831
 Unscaled step for mode  109=        0.0000051565
 Unscaled step for mode  110=        0.0000073027
 Unscaled step for mode  111=        0.0000290211
 Unscaled step for mode  112=       -0.0000012438
 Unscaled step for mode  113=       -0.0008714135
 Unscaled step for mode  114=       -0.0656344811
 Largest modulus ratio of non-zero e/values=           150.3718961    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.277556E-16    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.392481E-15    0.100757E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.208167E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.221990E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.301571E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.109938E-15    0.973587E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.311515E-06    0.722183E+03  0.431351E-09 0.100000E-04    0.965933E+00
   8   -0.138558E-05    0.671360E+03  0.206385E-08 0.100000E-04    0.980759E+00
   9    0.750817E-06    0.624303E+03 -0.120265E-08 0.100000E-04    0.989783E+00
  10    0.147970E-05    0.603977E+03 -0.244992E-08 0.100000E-04    0.997084E+00
  11   -0.100961E-05    0.589615E+03  0.171232E-08 0.100000E-04    0.999837E+00
  12    0.314984E-05    0.565005E+03 -0.557489E-08 0.100000E-04    0.995828E+00
  13    0.114602E-05    0.563319E+03 -0.203440E-08 0.100000E-04    0.968713E+00
  14   -0.569555E-05    0.478880E+03  0.118935E-07 0.100000E-04    0.999308E+00
  15    0.176947E-05    0.469287E+03 -0.377056E-08 0.100000E-04    0.993770E+00
  16    0.191550E-05    0.462884E+03 -0.413818E-08 0.100000E-04    0.993304E+00
  17    0.171136E-05    0.441410E+03 -0.387702E-08 0.100000E-04    0.996198E+00
  18    0.371605E-05    0.431254E+03 -0.861684E-08 0.100000E-04    0.995151E+00
  19    0.819113E-05    0.420709E+03 -0.194698E-07 0.100000E-04    0.994974E+00
  20    0.854631E-05    0.406175E+03 -0.210410E-07 0.100000E-04    0.999223E+00
  21    0.552570E-05    0.398207E+03 -0.138765E-07 0.100000E-04    0.996245E+00
  22    0.601206E-06    0.388567E+03 -0.154724E-08 0.100000E-04    0.963067E+00
  23   -0.172182E-05    0.367035E+03  0.469117E-08 0.100000E-04    0.994159E+00
  24    0.181927E-05    0.363494E+03 -0.500495E-08 0.100000E-04    0.997920E+00
  25   -0.100056E-04    0.352268E+03  0.284034E-07 0.100000E-04    0.994188E+00
  26   -0.157178E-04    0.341782E+03  0.459876E-07 0.100000E-04    0.993620E+00
  27   -0.802431E-05    0.324383E+03  0.247371E-07 0.100000E-04    0.993877E+00
  28   -0.403319E-05    0.322139E+03  0.125200E-07 0.100000E-04    0.987009E+00
  29   -0.682484E-05    0.318316E+03  0.214405E-07 0.100000E-04    0.983708E+00
  30   -0.113060E-04    0.317166E+03  0.356471E-07 0.100000E-04    0.981591E+00
  31   -0.318252E-05    0.305239E+03  0.104263E-07 0.100000E-04    0.985102E+00
  32   -0.944107E-06    0.287447E+03  0.328446E-08 0.100000E-04    0.981882E+00
  33    0.525600E-05    0.279756E+03 -0.187878E-07 0.100000E-04    0.995202E+00
  34    0.261198E-05    0.271245E+03 -0.962960E-08 0.100000E-04    0.995014E+00
  35    0.151947E-04    0.265785E+03 -0.571691E-07 0.100000E-04    0.993945E+00
  36    0.356304E-05    0.262501E+03 -0.135734E-07 0.100000E-04    0.988057E+00
  37   -0.705239E-05    0.257859E+03  0.273497E-07 0.100000E-04    0.992420E+00
  38   -0.334630E-05    0.253467E+03  0.132021E-07 0.100000E-04    0.993964E+00
  39   -0.111390E-04    0.243475E+03  0.457502E-07 0.100000E-04    0.995234E+00
  40    0.673069E-05    0.238924E+03 -0.281708E-07 0.100000E-04    0.988147E+00
  41    0.833115E-05    0.234745E+03 -0.354902E-07 0.100000E-04    0.988097E+00
  42   -0.342252E-05    0.228611E+03  0.149709E-07 0.100000E-04    0.990258E+00
  43    0.294540E-05    0.223853E+03 -0.131578E-07 0.100000E-04    0.986182E+00
  44   -0.493133E-05    0.212693E+03  0.231852E-07 0.100000E-04    0.977954E+00
  45    0.373398E-05    0.211370E+03 -0.176656E-07 0.100000E-04    0.997806E+00
  46    0.767409E-05    0.209336E+03 -0.366591E-07 0.100000E-04    0.988956E+00
  47   -0.167404E-04    0.203026E+03  0.824546E-07 0.100000E-04    0.992664E+00
  48   -0.283443E-06    0.198366E+03  0.142888E-08 0.100000E-04    0.930549E+00
  49   -0.951874E-05    0.195465E+03  0.486980E-07 0.100000E-04    0.990926E+00
  50    0.637717E-05    0.191615E+03 -0.332811E-07 0.100000E-04    0.998515E+00
  51   -0.655973E-05    0.186089E+03  0.352505E-07 0.100000E-04    0.991272E+00
  52    0.242575E-06    0.177513E+03 -0.136652E-08 0.100000E-04    0.965202E+00
  53   -0.646483E-05    0.170823E+03  0.378451E-07 0.100000E-04    0.994049E+00
  54   -0.409376E-05    0.168025E+03  0.243640E-07 0.100000E-04    0.986176E+00
  55    0.126326E-04    0.165690E+03 -0.762424E-07 0.100000E-04    0.994305E+00
  56   -0.440911E-05    0.160427E+03  0.274835E-07 0.100000E-04    0.998345E+00
  57   -0.233582E-05    0.153543E+03  0.152127E-07 0.100000E-04    0.988391E+00
  58    0.102744E-04    0.151010E+03 -0.680378E-07 0.100000E-04    0.994129E+00
  59    0.625369E-05    0.148874E+03 -0.420066E-07 0.100000E-04    0.993602E+00
  60    0.109148E-04    0.142743E+03 -0.764651E-07 0.100000E-04    0.991684E+00
  61   -0.851963E-05    0.136929E+03  0.622192E-07 0.100000E-04    0.994050E+00
  62    0.230284E-04    0.134926E+03 -0.170674E-06 0.100000E-04    0.996010E+00
  63   -0.150783E-04    0.130964E+03  0.115133E-06 0.100000E-04    0.996560E+00
  64   -0.443940E-05    0.127664E+03  0.347741E-07 0.100000E-04    0.985452E+00
  65    0.642290E-06    0.125877E+03 -0.510253E-08 0.100000E-04    0.951948E+00
  66    0.167902E-04    0.124889E+03 -0.134441E-06 0.100000E-04    0.995383E+00
  67    0.137312E-05    0.119448E+03 -0.114956E-07 0.100000E-04    0.982639E+00
  68    0.478589E-05    0.117945E+03 -0.405772E-07 0.100000E-04    0.993911E+00
  69   -0.552087E-06    0.116560E+03  0.473652E-08 0.100000E-04    0.968561E+00
  70    0.943267E-05    0.112305E+03 -0.839917E-07 0.100000E-04    0.988976E+00
  71    0.645024E-06    0.109787E+03 -0.587522E-08 0.100000E-04    0.976478E+00
  72   -0.219806E-04    0.105391E+03  0.208561E-06 0.100000E-04    0.994338E+00
  73   -0.959993E-05    0.102849E+03  0.933397E-07 0.100000E-04    0.989224E+00
  74   -0.235401E-04    0.100311E+03  0.234670E-06 0.100000E-04    0.996557E+00
  75    0.187175E-04    0.971330E+02 -0.192699E-06 0.100000E-04    0.989252E+00
  76   -0.205096E-04    0.950826E+02  0.215703E-06 0.100000E-04    0.993769E+00
  77   -0.494689E-05    0.910310E+02  0.543429E-07 0.100000E-04    0.871940E+00
  78   -0.387591E-04    0.909015E+02  0.426386E-06 0.100000E-04    0.994021E+00
  79    0.316899E-04    0.886948E+02 -0.357291E-06 0.100000E-04    0.999801E+00
  80    0.101829E-04    0.845339E+02 -0.120460E-06 0.100000E-04    0.991294E+00
  81    0.112359E-04    0.808864E+02 -0.138909E-06 0.100000E-04    0.994879E+00
  82   -0.152402E-04    0.792520E+02  0.192301E-06 0.100000E-04    0.998439E+00
  83   -0.900818E-05    0.786115E+02  0.114591E-06 0.100000E-04    0.992607E+00
  84    0.150467E-04    0.728976E+02 -0.206409E-06 0.100000E-04    0.993892E+00
  85    0.260137E-04    0.714779E+02 -0.363940E-06 0.100000E-04    0.996052E+00
  86   -0.320728E-04    0.689813E+02  0.464950E-06 0.100000E-04    0.996380E+00
  87   -0.117313E-05    0.678121E+02  0.172997E-07 0.100000E-04    0.864976E+00
  88    0.113918E-05    0.634336E+02 -0.179586E-07 0.100000E-04    0.995043E+00
  89   -0.297169E-04    0.619214E+02  0.479913E-06 0.100000E-04    0.994926E+00
  90   -0.141601E-04    0.596544E+02  0.237369E-06 0.100000E-04    0.997312E+00
  91    0.103669E-06    0.587143E+02 -0.176565E-08 0.100000E-04    0.862245E+00
  92   -0.349002E-04    0.558415E+02  0.624988E-06 0.100000E-04    0.992443E+00
  93   -0.362344E-04    0.535224E+02  0.676995E-06 0.100000E-04    0.998947E+00
  94    0.207051E-04    0.522532E+02 -0.396245E-06 0.100000E-04    0.994607E+00
  95   -0.334579E-04    0.502965E+02  0.665214E-06 0.100000E-04    0.999409E+00
  96   -0.977415E-05    0.479807E+02  0.203710E-06 0.100000E-04    0.994336E+00
  97    0.237047E-04    0.434433E+02 -0.545646E-06 0.100000E-04    0.996117E+00
  98    0.170935E-04    0.399419E+02 -0.427960E-06 0.100000E-04    0.994217E+00
  99    0.435087E-04    0.371744E+02 -0.117039E-05 0.100000E-04    0.990159E+00
 100   -0.307361E-04    0.361927E+02  0.849235E-06 0.100000E-04    0.996303E+00
 101   -0.105134E-03    0.350939E+02  0.299580E-05 0.100000E-04    0.996669E+00
 102    0.495282E-04    0.291445E+02 -0.169940E-05 0.100000E-04    0.992447E+00
 103    0.295735E-04    0.289150E+02 -0.102277E-05 0.100000E-04    0.991399E+00
 104    0.423773E-04    0.287284E+02 -0.147510E-05 0.100000E-04    0.999900E+00
 105    0.262571E-04    0.232138E+02 -0.113110E-05 0.100000E-04    0.991752E+00
 106   -0.115230E-05    0.219317E+02  0.525403E-07 0.100000E-04    0.811075E+00
 107    0.108045E-03    0.196344E+02 -0.550285E-05 0.100000E-04    0.996850E+00
 108   -0.783800E-04    0.167368E+02  0.468309E-05 0.100000E-04    0.997424E+00
 109   -0.712098E-04    0.138096E+02  0.515655E-05 0.100000E-04    0.997811E+00
 110   -0.909705E-04    0.124571E+02  0.730271E-05 0.100000E-04    0.992487E+00
 111   -0.320659E-03    0.110492E+02  0.100000E-04 0.100000E-04    0.859834E+00
 112    0.118148E-04    0.949907E+01 -0.124379E-05 0.100000E-04    0.993177E+00
 113    0.663045E-02    0.760884E+01 -0.116031E-04 0.116031E-04    0.237255E+00
 114   -0.316583E+00    0.480264E+01 -0.400000E-03 0.400000E-03    0.193021E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6563448109E-01

 Beginning of optimization cycle  146.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3924692489
 potential> RMS force:                                               0.0298368991   |gradient|=.3185709069    
 Eigenvalues of the Hessian matrix:
   722.24268    671.37529    624.32208    603.98823    589.61244    565.02543 
   563.35694    478.89756    469.26384    462.87358    441.40768    431.24458 
   420.71685    406.18593    398.20315    388.57101    367.03770    363.48345 
   352.25957    341.74391    324.38941    322.12560    318.31473    317.16365 
   305.23575    287.44988    279.75178    271.23932    265.78631    262.51001 
   257.86454    253.46949    243.46361    238.91142    234.75667    228.61301 
   223.83362    212.69327    211.37497    209.32377    203.02910    198.36202 
   195.46670    191.61507    186.08086    177.49849    170.82700    168.02214 
   165.68910    160.42238    153.54077    151.00883    148.87971    142.74647 
   136.92983    134.93122    130.96305    127.66346    125.87996    124.89529 
   119.44836    117.94521    116.56303    112.29740    109.77749    105.38762 
   102.85034    100.30724     97.12998     95.08347     91.02525     90.90872 
    88.70624     84.53557     80.88655     79.25558     78.60940     72.89501 
    71.48121     68.97204     67.81448     63.43243     61.91327     59.65431 
    58.71727     55.84223     53.51919     52.25237     50.29605     47.97977 
    43.43891     39.94456     37.16883     36.19122     35.10138     29.13668 
    28.91275     28.72845     23.20925     21.93214     19.63657     16.73855 
    13.80869     12.45458     11.03748      9.50083      7.60890      4.80178 
overlap for current and previous eigenvector    109 is        -0.9999979453
overlap for current and previous eigenvector    110 is         0.9999964087
overlap for current and previous eigenvector    111 is         0.9999936580
overlap for current and previous eigenvector    112 is         0.9999991199
overlap for current and previous eigenvector    113 is         0.9999990492
overlap for current and previous eigenvector    114 is         0.9999994499
J1,K1,R1,R2,RAT=   7   7   -0.4366980308E-01     2.043503779        0.9563301969    
FOB,PFOB,DIAG,PSTEP=   -0.3251194880E-06   -0.3115145783E-06     722.2426758        0.4313514700E-09
J1,K1,R1,R2,RAT=   8   8   -0.1862001024E-02     2.001815607        0.9981379990    
FOB,PFOB,DIAG,PSTEP=   -0.1388164768E-05   -0.1385584748E-05     671.3752862        0.2063848519E-08
J1,K1,R1,R2,RAT=   9   9    0.7542945379E-02     1.992397113        0.9923971135    
FOB,PFOB,DIAG,PSTEP=    0.7451531219E-06    0.7508166607E-06     624.3220776       -0.1202647144E-08
J1,K1,R1,R2,RAT=  10  10   -0.7488987324E-02     2.007453070        0.9925110127    
FOB,PFOB,DIAG,PSTEP=    0.1490777602E-05    0.1479695978E-05     603.9882298       -0.2449919516E-08
J1,K1,R1,R2,RAT=  11  11   -0.3637197542E-02     2.003647368        0.9963628025    
FOB,PFOB,DIAG,PSTEP=   -0.1013280679E-05   -0.1009608552E-05     589.6124378        0.1712317029E-08
J1,K1,R1,R2,RAT= 109 109     2.001670136       -0.1539427742E-02    0.9984605723    
FOB,PFOB,DIAG,PSTEP=    0.7131940778E-04   -0.7120979262E-04     13.80868741        0.5156546526E-05
J1,K1,R1,R2,RAT= 110 110   -0.1448224205E-01     2.014885606        0.9855177579    
FOB,PFOB,DIAG,PSTEP=   -0.9228767416E-04   -0.9097048325E-04     12.45458190        0.7302705187E-05
J1,K1,R1,R2,RAT= 111 111   -0.1412602337         5.951623287        0.8587397663    
FOB,PFOB,DIAG,PSTEP=   -0.3362502615E-03   -0.3206586979E-03     11.03747545        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.4287606662E-01     1.956753839        0.9567538392    
FOB,PFOB,DIAG,PSTEP=    0.1130816915E-04    0.1181483663E-04     9.500829498       -0.1243788591E-05
J1,K1,R1,R2,RAT= 113 113   -0.9599344796         151.1626460        0.4006552036E-01
FOB,PFOB,DIAG,PSTEP=    0.6715202874E-02    0.6630453394E-02     7.608901905       -0.1160308475E-04
J1,K1,R1,R2,RAT= 114 114    0.9980534755        -330.6496244        0.1946524532E-02
FOB,PFOB,DIAG,PSTEP=   -0.3184998387       -0.3165828654         4.801780021       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00000      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000     -0.00001     -0.00000 
     0.00001     -0.00000      0.00000     -0.00001      0.00001      0.00001 
    -0.00001      0.00002     -0.00002      0.00000     -0.00000      0.00002 
     0.00000      0.00000     -0.00000      0.00001      0.00000      0.00002 
    -0.00001     -0.00002      0.00002     -0.00002     -0.00001     -0.00004 
     0.00003      0.00001      0.00001     -0.00002      0.00001      0.00002 
     0.00003     -0.00003     -0.00000     -0.00000      0.00003      0.00001 
     0.00000     -0.00004     -0.00004      0.00002     -0.00003     -0.00001 
     0.00002      0.00002     -0.00004      0.00003     -0.00011      0.00005 
     0.00003      0.00004      0.00003     -0.00000      0.00011      0.00008 
     0.00007     -0.00009     -0.00034      0.00001      0.00672     -0.31850 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386368418
 Log product of positive Hessian eigenvalues =          520.3543448360
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8017800210
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000021
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=       -0.0000000020
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000042
 Unscaled step for mode   17=       -0.0000000039
 Unscaled step for mode   18=       -0.0000000086
 Unscaled step for mode   19=       -0.0000000196
 Unscaled step for mode   20=       -0.0000000211
 Unscaled step for mode   21=       -0.0000000140
 Unscaled step for mode   22=       -0.0000000016
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000286
 Unscaled step for mode   26=        0.0000000463
 Unscaled step for mode   27=        0.0000000249
 Unscaled step for mode   28=        0.0000000123
 Unscaled step for mode   29=        0.0000000210
 Unscaled step for mode   30=        0.0000000363
 Unscaled step for mode   31=        0.0000000105
 Unscaled step for mode   32=        0.0000000034
 Unscaled step for mode   33=       -0.0000000189
 Unscaled step for mode   34=       -0.0000000098
 Unscaled step for mode   35=       -0.0000000574
 Unscaled step for mode   36=       -0.0000000138
 Unscaled step for mode   37=        0.0000000275
 Unscaled step for mode   38=        0.0000000132
 Unscaled step for mode   39=        0.0000000460
 Unscaled step for mode   40=       -0.0000000284
 Unscaled step for mode   41=       -0.0000000359
 Unscaled step for mode   42=        0.0000000151
 Unscaled step for mode   43=       -0.0000000133
 Unscaled step for mode   44=        0.0000000234
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000369
 Unscaled step for mode   47=        0.0000000829
 Unscaled step for mode   48=        0.0000000013
 Unscaled step for mode   49=        0.0000000490
 Unscaled step for mode   50=       -0.0000000336
 Unscaled step for mode   51=        0.0000000354
 Unscaled step for mode   52=       -0.0000000013
 Unscaled step for mode   53=        0.0000000380
 Unscaled step for mode   54=        0.0000000246
 Unscaled step for mode   55=       -0.0000000766
 Unscaled step for mode   56=        0.0000000277
 Unscaled step for mode   57=       -0.0000000153
 Unscaled step for mode   58=        0.0000000685
 Unscaled step for mode   59=       -0.0000000420
 Unscaled step for mode   60=       -0.0000000767
 Unscaled step for mode   61=        0.0000000628
 Unscaled step for mode   62=       -0.0000001715
 Unscaled step for mode   63=        0.0000001159
 Unscaled step for mode   64=       -0.0000000352
 Unscaled step for mode   65=        0.0000000050
 Unscaled step for mode   66=       -0.0000001353
 Unscaled step for mode   67=       -0.0000000114
 Unscaled step for mode   68=       -0.0000000409
 Unscaled step for mode   69=        0.0000000050
 Unscaled step for mode   70=       -0.0000000845
 Unscaled step for mode   71=       -0.0000000061
 Unscaled step for mode   72=       -0.0000002104
 Unscaled step for mode   73=        0.0000000942
 Unscaled step for mode   74=        0.0000002359
 Unscaled step for mode   75=       -0.0000001944
 Unscaled step for mode   76=        0.0000002169
 Unscaled step for mode   77=        0.0000000613
 Unscaled step for mode   78=        0.0000004279
 Unscaled step for mode   79=       -0.0000003577
 Unscaled step for mode   80=       -0.0000001213
 Unscaled step for mode   81=       -0.0000001398
 Unscaled step for mode   82=        0.0000001925
 Unscaled step for mode   83=       -0.0000001146
 Unscaled step for mode   84=       -0.0000002085
 Unscaled step for mode   85=       -0.0000003665
 Unscaled step for mode   86=        0.0000004669
 Unscaled step for mode   87=        0.0000000152
 Unscaled step for mode   88=        0.0000000188
 Unscaled step for mode   89=       -0.0000004830
 Unscaled step for mode   90=       -0.0000002396
 Unscaled step for mode   91=       -0.0000000014
 Unscaled step for mode   92=        0.0000006287
 Unscaled step for mode   93=        0.0000006795
 Unscaled step for mode   94=       -0.0000004000
 Unscaled step for mode   95=        0.0000006669
 Unscaled step for mode   96=        0.0000002037
 Unscaled step for mode   97=       -0.0000005498
 Unscaled step for mode   98=       -0.0000004305
 Unscaled step for mode   99=        0.0000011886
 Unscaled step for mode  100=       -0.0000008469
 Unscaled step for mode  101=        0.0000030064
 Unscaled step for mode  102=       -0.0000017224
 Unscaled step for mode  103=       -0.0000010133
 Unscaled step for mode  104=       -0.0000014826
 Unscaled step for mode  105=       -0.0000011399
 Unscaled step for mode  106=        0.0000000633
 Unscaled step for mode  107=       -0.0000055314
 Unscaled step for mode  108=       -0.0000046591
 Unscaled step for mode  109=       -0.0000051648
 Unscaled step for mode  110=        0.0000074099
 Unscaled step for mode  111=        0.0000304644
 Unscaled step for mode  112=       -0.0000011902
 Unscaled step for mode  113=       -0.0008825449
 Unscaled step for mode  114=       -0.0660402516
 Largest modulus ratio of non-zero e/values=           150.4114459    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.543402E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.252294E-15    0.100757E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.436717E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.207961E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.592950E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.422758E-15    0.973589E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.325119E-06    0.722243E+03  0.450153E-09 0.100000E-04    0.956330E+00
   8   -0.138816E-05    0.671375E+03  0.206764E-08 0.100000E-04    0.998138E+00
   9    0.745153E-06    0.624322E+03 -0.119354E-08 0.100000E-04    0.992397E+00
  10    0.149078E-05    0.603988E+03 -0.246822E-08 0.100000E-04    0.992511E+00
  11   -0.101328E-05    0.589612E+03  0.171855E-08 0.100000E-04    0.996363E+00
  12    0.315257E-05    0.565025E+03 -0.557951E-08 0.100000E-04    0.999135E+00
  13    0.113165E-05    0.563357E+03 -0.200876E-08 0.100000E-04    0.987327E+00
  14   -0.570040E-05    0.478898E+03  0.119032E-07 0.100000E-04    0.999148E+00
  15    0.176118E-05    0.469264E+03 -0.375307E-08 0.100000E-04    0.995312E+00
  16    0.194039E-05    0.462874E+03 -0.419205E-08 0.100000E-04    0.987006E+00
  17    0.173859E-05    0.441408E+03 -0.393874E-08 0.100000E-04    0.984085E+00
  18    0.372528E-05    0.431245E+03 -0.863844E-08 0.100000E-04    0.997516E+00
  19    0.824044E-05    0.420717E+03 -0.195867E-07 0.100000E-04    0.993980E+00
  20    0.857060E-05    0.406186E+03 -0.211002E-07 0.100000E-04    0.997158E+00
  21    0.555514E-05    0.398203E+03 -0.139505E-07 0.100000E-04    0.994672E+00
  22    0.629023E-06    0.388571E+03 -0.161881E-08 0.100000E-04    0.953733E+00
  23   -0.171860E-05    0.367038E+03  0.468235E-08 0.100000E-04    0.998114E+00
  24    0.181375E-05    0.363483E+03 -0.498991E-08 0.100000E-04    0.996967E+00
  25   -0.100598E-04    0.352260E+03  0.285579E-07 0.100000E-04    0.994586E+00
  26   -0.158216E-04    0.341744E+03  0.462965E-07 0.100000E-04    0.993395E+00
  27   -0.806290E-05    0.324389E+03  0.248556E-07 0.100000E-04    0.995191E+00
  28   -0.397285E-05    0.322126E+03  0.123332E-07 0.100000E-04    0.985038E+00
  29   -0.667532E-05    0.318315E+03  0.209708E-07 0.100000E-04    0.978092E+00
  30   -0.114991E-04    0.317164E+03  0.362561E-07 0.100000E-04    0.982920E+00
  31   -0.320705E-05    0.305236E+03  0.105068E-07 0.100000E-04    0.992291E+00
  32   -0.968400E-06    0.287450E+03  0.336894E-08 0.100000E-04    0.974269E+00
  33    0.529484E-05    0.279752E+03 -0.189269E-07 0.100000E-04    0.992609E+00
  34    0.264608E-05    0.271239E+03 -0.975550E-08 0.100000E-04    0.986947E+00
  35    0.152608E-04    0.265786E+03 -0.574177E-07 0.100000E-04    0.995646E+00
  36    0.361267E-05    0.262510E+03 -0.137620E-07 0.100000E-04    0.986071E+00
  37   -0.710080E-05    0.257865E+03  0.275369E-07 0.100000E-04    0.993135E+00
  38   -0.334932E-05    0.253469E+03  0.132139E-07 0.100000E-04    0.999098E+00
  39   -0.112030E-04    0.243464E+03  0.460153E-07 0.100000E-04    0.994253E+00
  40    0.679335E-05    0.238911E+03 -0.284346E-07 0.100000E-04    0.990691E+00
  41    0.842934E-05    0.234757E+03 -0.359067E-07 0.100000E-04    0.988215E+00
  42   -0.344873E-05    0.228613E+03  0.150854E-07 0.100000E-04    0.992341E+00
  43    0.296697E-05    0.223834E+03 -0.132552E-07 0.100000E-04    0.992678E+00
  44   -0.497620E-05    0.212693E+03  0.233961E-07 0.100000E-04    0.990901E+00
  45    0.374395E-05    0.211375E+03 -0.177123E-07 0.100000E-04    0.997331E+00
  46    0.772500E-05    0.209324E+03 -0.369046E-07 0.100000E-04    0.993365E+00
  47   -0.168261E-04    0.203029E+03  0.828754E-07 0.100000E-04    0.994883E+00
  48   -0.265288E-06    0.198362E+03  0.133740E-08 0.100000E-04    0.935950E+00
  49   -0.957895E-05    0.195467E+03  0.490055E-07 0.100000E-04    0.993675E+00
  50    0.643439E-05    0.191615E+03 -0.335798E-07 0.100000E-04    0.991027E+00
  51   -0.658996E-05    0.186081E+03  0.354145E-07 0.100000E-04    0.995391E+00
  52    0.239591E-06    0.177498E+03 -0.134982E-08 0.100000E-04    0.987699E+00
  53   -0.648902E-05    0.170827E+03  0.379859E-07 0.100000E-04    0.996259E+00
  54   -0.412849E-05    0.168022E+03  0.245711E-07 0.100000E-04    0.991516E+00
  55    0.126888E-04    0.165689E+03 -0.765819E-07 0.100000E-04    0.995555E+00
  56   -0.443886E-05    0.160422E+03  0.276699E-07 0.100000E-04    0.993251E+00
  57    0.235292E-05    0.153541E+03 -0.153244E-07 0.100000E-04    0.992678E+00
  58   -0.103494E-04    0.151009E+03  0.685350E-07 0.100000E-04    0.992698E+00
  59    0.625496E-05    0.148880E+03 -0.420135E-07 0.100000E-04    0.999798E+00
  60    0.109554E-04    0.142746E+03 -0.767470E-07 0.100000E-04    0.996288E+00
  61   -0.859855E-05    0.136930E+03  0.627953E-07 0.100000E-04    0.990737E+00
  62    0.231389E-04    0.134931E+03 -0.171486E-06 0.100000E-04    0.995204E+00
  63   -0.151789E-04    0.130963E+03  0.115902E-06 0.100000E-04    0.993332E+00
  64    0.449239E-05    0.127663E+03 -0.351893E-07 0.100000E-04    0.988062E+00
  65   -0.635146E-06    0.125880E+03  0.504564E-08 0.100000E-04    0.988826E+00
  66    0.168974E-04    0.124895E+03 -0.135292E-06 0.100000E-04    0.993621E+00
  67    0.136762E-05    0.119448E+03 -0.114495E-07 0.100000E-04    0.995980E+00
  68    0.482152E-05    0.117945E+03 -0.408794E-07 0.100000E-04    0.992554E+00
  69   -0.585051E-06    0.116563E+03  0.501918E-08 0.100000E-04    0.940294E+00
  70    0.949376E-05    0.112297E+03 -0.845413E-07 0.100000E-04    0.993523E+00
  71    0.667203E-06    0.109777E+03 -0.607778E-08 0.100000E-04    0.965612E+00
  72    0.221694E-04    0.105388E+03 -0.210361E-06 0.100000E-04    0.991406E+00
  73   -0.969200E-05    0.102850E+03  0.942340E-07 0.100000E-04    0.990409E+00
  74   -0.236663E-04    0.100307E+03  0.235938E-06 0.100000E-04    0.994639E+00
  75    0.188796E-04    0.971300E+02 -0.194374E-06 0.100000E-04    0.991340E+00
  76   -0.206241E-04    0.950835E+02  0.216905E-06 0.100000E-04    0.994418E+00
  77   -0.557725E-05    0.910252E+02  0.612714E-07 0.100000E-04    0.872566E+00
  78   -0.388955E-04    0.909087E+02  0.427852E-06 0.100000E-04    0.996482E+00
  79    0.317339E-04    0.887062E+02 -0.357742E-06 0.100000E-04    0.998610E+00
  80    0.102553E-04    0.845356E+02 -0.121313E-06 0.100000E-04    0.992892E+00
  81    0.113081E-04    0.808866E+02 -0.139802E-06 0.100000E-04    0.993575E+00
  82   -0.152552E-04    0.792556E+02  0.192481E-06 0.100000E-04    0.999020E+00
  83    0.901197E-05    0.786094E+02 -0.114642E-06 0.100000E-04    0.999580E+00
  84    0.151978E-04    0.728950E+02 -0.208488E-06 0.100000E-04    0.989962E+00
  85    0.261959E-04    0.714812E+02 -0.366472E-06 0.100000E-04    0.992997E+00
  86   -0.322029E-04    0.689720E+02  0.466898E-06 0.100000E-04    0.995944E+00
  87   -0.103199E-05    0.678145E+02  0.152178E-07 0.100000E-04    0.879623E+00
  88   -0.119393E-05    0.634324E+02  0.188221E-07 0.100000E-04    0.951937E+00
  89    0.299034E-04    0.619133E+02 -0.482988E-06 0.100000E-04    0.993724E+00
  90    0.142958E-04    0.596543E+02 -0.239644E-06 0.100000E-04    0.990415E+00
  91    0.801552E-07    0.587173E+02 -0.136510E-08 0.100000E-04    0.773095E+00
  92   -0.351067E-04    0.558422E+02  0.628677E-06 0.100000E-04    0.994083E+00
  93   -0.363672E-04    0.535192E+02  0.679516E-06 0.100000E-04    0.996335E+00
  94    0.209021E-04    0.522524E+02 -0.400021E-06 0.100000E-04    0.990486E+00
  95   -0.335440E-04    0.502961E+02  0.666931E-06 0.100000E-04    0.997426E+00
  96   -0.977416E-05    0.479798E+02  0.203714E-06 0.100000E-04    0.999999E+00
  97    0.238833E-04    0.434389E+02 -0.549815E-06 0.100000E-04    0.992462E+00
  98    0.171972E-04    0.399446E+02 -0.430527E-06 0.100000E-04    0.993935E+00
  99   -0.441773E-04    0.371688E+02  0.118856E-05 0.100000E-04    0.984631E+00
 100    0.306521E-04    0.361912E+02 -0.846948E-06 0.100000E-04    0.997265E+00
 101   -0.105529E-03    0.351014E+02  0.300640E-05 0.100000E-04    0.996246E+00
 102    0.501857E-04    0.291367E+02 -0.172242E-05 0.100000E-04    0.986721E+00
 103    0.292972E-04    0.289128E+02 -0.101330E-05 0.100000E-04    0.990657E+00
 104    0.425927E-04    0.287285E+02 -0.148260E-05 0.100000E-04    0.994918E+00
 105    0.264572E-04    0.232093E+02 -0.113994E-05 0.100000E-04    0.992380E+00
 106   -0.138795E-05    0.219321E+02  0.632837E-07 0.100000E-04    0.795501E+00
 107    0.108617E-03    0.196366E+02 -0.553136E-05 0.100000E-04    0.994708E+00
 108    0.779861E-04    0.167385E+02 -0.465907E-05 0.100000E-04    0.994769E+00
 109    0.713194E-04    0.138087E+02 -0.516482E-05 0.100000E-04    0.998461E+00
 110   -0.922877E-04    0.124546E+02  0.740994E-05 0.100000E-04    0.985518E+00
 111   -0.336250E-03    0.110375E+02  0.100000E-04 0.100000E-04    0.858740E+00
 112    0.113082E-04    0.950083E+01 -0.119023E-05 0.100000E-04    0.956754E+00
 113    0.671520E-02    0.760890E+01 -0.126474E-04 0.126474E-04    0.400655E-01
 114   -0.318500E+00    0.480178E+01 -0.400000E-03 0.400000E-03    0.194652E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6604025158E-01

 Beginning of optimization cycle  147.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3923415534
 potential> RMS force:                                               0.0300165181   |gradient|=.3204887123    
 Eigenvalues of the Hessian matrix:
   722.30259    671.39073    624.34067    603.99907    589.60927    565.04619 
   563.39491    478.91557    469.24111    462.86309    441.40584    431.23480 
   420.72458    406.19681    398.19929    388.57463    367.04019    363.47327 
   352.25086    341.70546    324.39546    322.11289    318.31426    317.16087 
   305.23248    287.45327    279.74722    271.23346    265.78772    262.51929 
   257.86981    253.47152    243.45253    238.89856    234.76837    228.61516 
   223.81464    212.69396    211.38022    209.31121    203.03204    198.35775 
   195.46858    191.61488    186.07289    177.48398    170.83074    168.01913 
   165.68772    160.41763    153.53831    151.00777    148.88533    142.75008 
   136.93024    134.93641    130.96180    127.66312    125.88315    124.90169 
   119.44921    117.94528    116.56646    112.28996    109.76771    105.38383 
   102.85127    100.30302     97.12687     95.08428     91.01964     90.91589 
    88.71769     84.53727     80.88674     79.25918     78.60725     72.89247 
    71.48444     68.96277     67.81679     63.43130     61.90503     59.65420 
    58.72020     55.84298     53.51593     52.25155     50.29559     47.97880 
    43.43447     39.94719     37.16333     36.18955     35.10884     29.12893 
    28.91046     28.72850     23.20480     21.93258     19.63875     16.74025 
    13.80779     12.45210     11.02573      9.50259      7.60893      4.80088 
overlap for current and previous eigenvector    109 is         0.9999979697
overlap for current and previous eigenvector    110 is         0.9999964892
overlap for current and previous eigenvector    111 is         0.9999937307
overlap for current and previous eigenvector    112 is         0.9999990948
overlap for current and previous eigenvector    113 is         0.9999990419
overlap for current and previous eigenvector    114 is        -0.9999994533
J1,K1,R1,R2,RAT=   7   7   -0.3239924638E-01     2.032233339        0.9676007536    
FOB,PFOB,DIAG,PSTEP=   -0.3356539882E-06   -0.3251194880E-06     722.3025935        0.4501526964E-09
J1,K1,R1,R2,RAT=   8   8   -0.1879099277E-01     2.018744990        0.9812090072    
FOB,PFOB,DIAG,PSTEP=   -0.1414250362E-05   -0.1388164768E-05     671.3907289        0.2067643532E-08
J1,K1,R1,R2,RAT=   9   9   -0.9880375171E-02     2.009820816        0.9901196248    
FOB,PFOB,DIAG,PSTEP=    0.7525157336E-06    0.7451531219E-06     624.3406701       -0.1193539599E-08
J1,K1,R1,R2,RAT=  10  10    0.2870060337E-02     1.997094036        0.9970940365    
FOB,PFOB,DIAG,PSTEP=    0.1486498903E-05    0.1490777602E-05     603.9990726       -0.2468222935E-08
J1,K1,R1,R2,RAT=  11  11    0.1323966441E-03     1.999878339        0.9998676034    
FOB,PFOB,DIAG,PSTEP=   -0.1013146525E-05   -0.1013280679E-05     589.6092729        0.1718553772E-08
J1,K1,R1,R2,RAT= 109 109   -0.2107621093E-02     2.002236921        0.9978923789    
FOB,PFOB,DIAG,PSTEP=    0.7146971235E-04    0.7131940778E-04     13.80779473       -0.5164821658E-05
J1,K1,R1,R2,RAT= 110 110   -0.7330223536E-02     2.007728321        0.9926697765    
FOB,PFOB,DIAG,PSTEP=   -0.9296402881E-04   -0.9228767416E-04     12.45210332        0.7409937555E-05
J1,K1,R1,R2,RAT= 111 111   -0.1496011818         6.248976462        0.8503988182    
FOB,PFOB,DIAG,PSTEP=   -0.3527448808E-03   -0.3362502615E-03     11.02572792        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6356345576E-02     1.993273557        0.9932735569    
FOB,PFOB,DIAG,PSTEP=    0.1123627722E-04    0.1130816915E-04     9.502587940       -0.1190229669E-05
J1,K1,R1,R2,RAT= 113 113   -0.7973224880         140.3588238        0.2026775120    
FOB,PFOB,DIAG,PSTEP=    0.6791931516E-02    0.6715202874E-02     7.608929118       -0.1264736238E-04
J1,K1,R1,R2,RAT= 114 114    -332.7077846        0.9980432409        0.1956759056E-02
FOB,PFOB,DIAG,PSTEP=    0.3204164337       -0.3184998387         4.800881598       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00002     -0.00002      0.00000     -0.00000      0.00002 
    -0.00000      0.00000     -0.00000     -0.00001      0.00000     -0.00002 
    -0.00001      0.00002      0.00002     -0.00002      0.00001      0.00004 
     0.00003      0.00001      0.00001     -0.00002     -0.00001      0.00002 
    -0.00003     -0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
     0.00000     -0.00004     -0.00004      0.00002     -0.00003     -0.00001 
     0.00002     -0.00002     -0.00004      0.00003      0.00011     -0.00005 
     0.00003     -0.00004      0.00003      0.00000      0.00011     -0.00008 
     0.00007     -0.00009     -0.00035      0.00001      0.00679      0.32042 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386509198
 Log product of positive Hessian eigenvalues =          520.3522994715
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.8008815980
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000021
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=       -0.0000000019
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000042
 Unscaled step for mode   17=       -0.0000000040
 Unscaled step for mode   18=       -0.0000000087
 Unscaled step for mode   19=       -0.0000000197
 Unscaled step for mode   20=       -0.0000000211
 Unscaled step for mode   21=       -0.0000000140
 Unscaled step for mode   22=       -0.0000000017
 Unscaled step for mode   23=        0.0000000047
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000287
 Unscaled step for mode   26=        0.0000000466
 Unscaled step for mode   27=        0.0000000250
 Unscaled step for mode   28=        0.0000000122
 Unscaled step for mode   29=        0.0000000206
 Unscaled step for mode   30=        0.0000000369
 Unscaled step for mode   31=        0.0000000107
 Unscaled step for mode   32=        0.0000000034
 Unscaled step for mode   33=       -0.0000000190
 Unscaled step for mode   34=       -0.0000000098
 Unscaled step for mode   35=       -0.0000000578
 Unscaled step for mode   36=       -0.0000000139
 Unscaled step for mode   37=        0.0000000277
 Unscaled step for mode   38=        0.0000000133
 Unscaled step for mode   39=        0.0000000462
 Unscaled step for mode   40=       -0.0000000288
 Unscaled step for mode   41=       -0.0000000363
 Unscaled step for mode   42=        0.0000000152
 Unscaled step for mode   43=       -0.0000000134
 Unscaled step for mode   44=        0.0000000239
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000373
 Unscaled step for mode   47=        0.0000000835
 Unscaled step for mode   48=        0.0000000012
 Unscaled step for mode   49=        0.0000000494
 Unscaled step for mode   50=       -0.0000000336
 Unscaled step for mode   51=        0.0000000357
 Unscaled step for mode   52=       -0.0000000013
 Unscaled step for mode   53=       -0.0000000382
 Unscaled step for mode   54=        0.0000000249
 Unscaled step for mode   55=       -0.0000000770
 Unscaled step for mode   56=        0.0000000277
 Unscaled step for mode   57=        0.0000000155
 Unscaled step for mode   58=       -0.0000000689
 Unscaled step for mode   59=       -0.0000000423
 Unscaled step for mode   60=        0.0000000774
 Unscaled step for mode   61=       -0.0000000632
 Unscaled step for mode   62=       -0.0000001722
 Unscaled step for mode   63=        0.0000001163
 Unscaled step for mode   64=       -0.0000000357
 Unscaled step for mode   65=        0.0000000048
 Unscaled step for mode   66=       -0.0000001359
 Unscaled step for mode   67=        0.0000000116
 Unscaled step for mode   68=       -0.0000000411
 Unscaled step for mode   69=        0.0000000052
 Unscaled step for mode   70=        0.0000000855
 Unscaled step for mode   71=       -0.0000000062
 Unscaled step for mode   72=        0.0000002116
 Unscaled step for mode   73=        0.0000000952
 Unscaled step for mode   74=       -0.0000002367
 Unscaled step for mode   75=       -0.0000001964
 Unscaled step for mode   76=        0.0000002182
 Unscaled step for mode   77=       -0.0000000706
 Unscaled step for mode   78=       -0.0000004297
 Unscaled step for mode   79=       -0.0000003577
 Unscaled step for mode   80=       -0.0000001224
 Unscaled step for mode   81=       -0.0000001405
 Unscaled step for mode   82=        0.0000001922
 Unscaled step for mode   83=        0.0000001155
 Unscaled step for mode   84=       -0.0000002098
 Unscaled step for mode   85=        0.0000003679
 Unscaled step for mode   86=        0.0000004686
 Unscaled step for mode   87=        0.0000000124
 Unscaled step for mode   88=        0.0000000187
 Unscaled step for mode   89=        0.0000004855
 Unscaled step for mode   90=        0.0000002403
 Unscaled step for mode   91=       -0.0000000011
 Unscaled step for mode   92=        0.0000006333
 Unscaled step for mode   93=        0.0000006802
 Unscaled step for mode   94=       -0.0000004022
 Unscaled step for mode   95=        0.0000006673
 Unscaled step for mode   96=        0.0000002049
 Unscaled step for mode   97=       -0.0000005520
 Unscaled step for mode   98=        0.0000004330
 Unscaled step for mode   99=        0.0000012004
 Unscaled step for mode  100=       -0.0000008434
 Unscaled step for mode  101=       -0.0000030154
 Unscaled step for mode  102=        0.0000017365
 Unscaled step for mode  103=       -0.0000010026
 Unscaled step for mode  104=        0.0000014827
 Unscaled step for mode  105=       -0.0000011494
 Unscaled step for mode  106=       -0.0000000512
 Unscaled step for mode  107=       -0.0000055477
 Unscaled step for mode  108=        0.0000046468
 Unscaled step for mode  109=       -0.0000051760
 Unscaled step for mode  110=        0.0000074657
 Unscaled step for mode  111=        0.0000319929
 Unscaled step for mode  112=       -0.0000011824
 Unscaled step for mode  113=       -0.0008926258
 Unscaled step for mode  114=        0.0664464942
 Largest modulus ratio of non-zero e/values=           150.4520740    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.598480E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.540475E-15    0.100757E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.169743E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.464364E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.568556E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.126011E-15    0.973591E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.335654E-06    0.722303E+03  0.464700E-09 0.100000E-04    0.967601E+00
   8   -0.141425E-05    0.671391E+03  0.210645E-08 0.100000E-04    0.981209E+00
   9    0.752516E-06    0.624341E+03 -0.120530E-08 0.100000E-04    0.990120E+00
  10    0.148650E-05    0.603999E+03 -0.246109E-08 0.100000E-04    0.997094E+00
  11   -0.101315E-05    0.589609E+03  0.171834E-08 0.100000E-04    0.999868E+00
  12    0.316517E-05    0.565046E+03 -0.560162E-08 0.100000E-04    0.996002E+00
  13    0.109381E-05    0.563395E+03 -0.194147E-08 0.100000E-04    0.966437E+00
  14   -0.569633E-05    0.478916E+03  0.118942E-07 0.100000E-04    0.999211E+00
  15    0.177194E-05    0.469241E+03 -0.377618E-08 0.100000E-04    0.993891E+00
  16    0.195339E-05    0.462863E+03 -0.422023E-08 0.100000E-04    0.993301E+00
  17    0.174530E-05    0.441406E+03 -0.395395E-08 0.100000E-04    0.996144E+00
  18    0.374303E-05    0.431235E+03 -0.867980E-08 0.100000E-04    0.995235E+00
  19    0.828142E-05    0.420725E+03 -0.196837E-07 0.100000E-04    0.995026E+00
  20    0.857680E-05    0.406197E+03 -0.211149E-07 0.100000E-04    0.999277E+00
  21    0.557559E-05    0.398199E+03 -0.140020E-07 0.100000E-04    0.996318E+00
  22    0.650796E-06    0.388575E+03 -0.167483E-08 0.100000E-04    0.965386E+00
  23   -0.170830E-05    0.367040E+03  0.465425E-08 0.100000E-04    0.993993E+00
  24    0.180966E-05    0.363473E+03 -0.497880E-08 0.100000E-04    0.997746E+00
  25   -0.101176E-04    0.352251E+03  0.287227E-07 0.100000E-04    0.994254E+00
  26   -0.159214E-04    0.341705E+03  0.465939E-07 0.100000E-04    0.993690E+00
  27   -0.811187E-05    0.324395E+03  0.250061E-07 0.100000E-04    0.993926E+00
  28   -0.391766E-05    0.322113E+03  0.121624E-07 0.100000E-04    0.986109E+00
  29   -0.655080E-05    0.318314E+03  0.205797E-07 0.100000E-04    0.981346E+00
  30   -0.117019E-04    0.317161E+03  0.368957E-07 0.100000E-04    0.982370E+00
  31   -0.325410E-05    0.305232E+03  0.106611E-07 0.100000E-04    0.985328E+00
  32   -0.985505E-06    0.287453E+03  0.342840E-08 0.100000E-04    0.982338E+00
  33    0.532003E-05    0.279747E+03 -0.190173E-07 0.100000E-04    0.995242E+00
  34    0.265952E-05    0.271233E+03 -0.980527E-08 0.100000E-04    0.994920E+00
  35    0.153517E-04    0.265788E+03 -0.577594E-07 0.100000E-04    0.994044E+00
  36    0.365568E-05    0.262519E+03 -0.139254E-07 0.100000E-04    0.988096E+00
  37   -0.715414E-05    0.257870E+03  0.277432E-07 0.100000E-04    0.992488E+00
  38   -0.336899E-05    0.253472E+03  0.132914E-07 0.100000E-04    0.994128E+00
  39   -0.112555E-04    0.243453E+03  0.462329E-07 0.100000E-04    0.995316E+00
  40    0.687197E-05    0.238899E+03 -0.287652E-07 0.100000E-04    0.988426E+00
  41    0.852911E-05    0.234768E+03 -0.363299E-07 0.100000E-04    0.988165E+00
  42   -0.348192E-05    0.228615E+03  0.152305E-07 0.100000E-04    0.990376E+00
  43    0.300752E-05    0.223815E+03 -0.134376E-07 0.100000E-04    0.986331E+00
  44   -0.508318E-05    0.212694E+03  0.238990E-07 0.100000E-04    0.978501E+00
  45    0.373494E-05    0.211380E+03 -0.176693E-07 0.100000E-04    0.997546E+00
  46    0.780872E-05    0.209311E+03 -0.373067E-07 0.100000E-04    0.989162E+00
  47   -0.169477E-04    0.203032E+03  0.834729E-07 0.100000E-04    0.992776E+00
  48   -0.243784E-06    0.198358E+03  0.122901E-08 0.100000E-04    0.918939E+00
  49   -0.966484E-05    0.195469E+03  0.494445E-07 0.100000E-04    0.991033E+00
  50    0.644370E-05    0.191615E+03 -0.336284E-07 0.100000E-04    0.998554E+00
  51   -0.664683E-05    0.186073E+03  0.357217E-07 0.100000E-04    0.991369E+00
  52    0.230587E-06    0.177484E+03 -0.129920E-08 0.100000E-04    0.962415E+00
  53    0.652704E-05    0.170831E+03 -0.382077E-07 0.100000E-04    0.994140E+00
  54   -0.418474E-05    0.168019E+03  0.249063E-07 0.100000E-04    0.986375E+00
  55    0.127599E-04    0.165688E+03 -0.770117E-07 0.100000E-04    0.994395E+00
  56   -0.444609E-05    0.160418E+03  0.277157E-07 0.100000E-04    0.998371E+00
  57   -0.237999E-05    0.153538E+03  0.155009E-07 0.100000E-04    0.988495E+00
  58    0.104101E-04    0.151008E+03 -0.689375E-07 0.100000E-04    0.994134E+00
  59    0.629336E-05    0.148885E+03 -0.422698E-07 0.100000E-04    0.993861E+00
  60   -0.110450E-04    0.142750E+03  0.773726E-07 0.100000E-04    0.991823E+00
  61    0.864958E-05    0.136930E+03 -0.631678E-07 0.100000E-04    0.994066E+00
  62    0.232295E-04    0.134936E+03 -0.172151E-06 0.100000E-04    0.996085E+00
  63   -0.152304E-04    0.130962E+03  0.116296E-06 0.100000E-04    0.996608E+00
  64    0.455728E-05    0.127663E+03 -0.356977E-07 0.100000E-04    0.985555E+00
  65   -0.602964E-06    0.125883E+03  0.478987E-08 0.100000E-04    0.949283E+00
  66    0.169742E-04    0.124902E+03 -0.135900E-06 0.100000E-04    0.995452E+00
  67   -0.139117E-05    0.119449E+03  0.116466E-07 0.100000E-04    0.982782E+00
  68    0.485051E-05    0.117945E+03 -0.411251E-07 0.100000E-04    0.993987E+00
  69   -0.602124E-06    0.116566E+03  0.516550E-08 0.100000E-04    0.970818E+00
  70   -0.959682E-05    0.112290E+03  0.854646E-07 0.100000E-04    0.989144E+00
  71    0.682544E-06    0.109768E+03 -0.621808E-08 0.100000E-04    0.977005E+00
  72   -0.222943E-04    0.105384E+03  0.211553E-06 0.100000E-04    0.994369E+00
  73   -0.979481E-05    0.102851E+03  0.952328E-07 0.100000E-04    0.989392E+00
  74    0.237458E-04    0.100303E+03 -0.236741E-06 0.100000E-04    0.996641E+00
  75    0.190804E-04    0.971269E+02 -0.196448E-06 0.100000E-04    0.989363E+00
  76   -0.207505E-04    0.950843E+02  0.218233E-06 0.100000E-04    0.993872E+00
  77    0.642519E-05    0.910196E+02 -0.705913E-07 0.100000E-04    0.847954E+00
  78    0.390635E-04    0.909159E+02 -0.429666E-06 0.100000E-04    0.995682E+00
  79    0.317302E-04    0.887177E+02 -0.357653E-06 0.100000E-04    0.999624E+00
  80    0.103433E-04    0.845373E+02 -0.122352E-06 0.100000E-04    0.991421E+00
  81    0.113651E-04    0.808867E+02 -0.140507E-06 0.100000E-04    0.994952E+00
  82   -0.152301E-04    0.792592E+02  0.192156E-06 0.100000E-04    0.998268E+00
  83   -0.907880E-05    0.786072E+02  0.115496E-06 0.100000E-04    0.992584E+00
  84    0.152899E-04    0.728925E+02 -0.209759E-06 0.100000E-04    0.993938E+00
  85   -0.262981E-04    0.714844E+02  0.367886E-06 0.100000E-04    0.996098E+00
  86   -0.323150E-04    0.689628E+02  0.468586E-06 0.100000E-04    0.996519E+00
  87   -0.841975E-06    0.678168E+02  0.124154E-07 0.100000E-04    0.815813E+00
  88   -0.118752E-05    0.634313E+02  0.187214E-07 0.100000E-04    0.994630E+00
  89   -0.300536E-04    0.619050E+02  0.485479E-06 0.100000E-04    0.994976E+00
  90   -0.143340E-04    0.596542E+02  0.240285E-06 0.100000E-04    0.997329E+00
  91    0.639418E-07    0.587202E+02 -0.108892E-08 0.100000E-04    0.797636E+00
  92   -0.353669E-04    0.558430E+02  0.633328E-06 0.100000E-04    0.992588E+00
  93   -0.364025E-04    0.535159E+02  0.680218E-06 0.100000E-04    0.999029E+00
  94    0.210136E-04    0.522515E+02 -0.402163E-06 0.100000E-04    0.994662E+00
  95   -0.335607E-04    0.502956E+02  0.667270E-06 0.100000E-04    0.999502E+00
  96   -0.982863E-05    0.479788E+02  0.204854E-06 0.100000E-04    0.994427E+00
  97    0.239747E-04    0.434345E+02 -0.551975E-06 0.100000E-04    0.996173E+00
  98   -0.172960E-04    0.399472E+02  0.432972E-06 0.100000E-04    0.994257E+00
  99   -0.446093E-04    0.371633E+02  0.120036E-05 0.100000E-04    0.990221E+00
 100    0.305237E-04    0.361896E+02 -0.843439E-06 0.100000E-04    0.995810E+00
 101    0.105869E-03    0.351088E+02 -0.301544E-05 0.100000E-04    0.996781E+00
 102   -0.505817E-04    0.291289E+02  0.173648E-05 0.100000E-04    0.992106E+00
 103    0.289850E-04    0.289105E+02 -0.100258E-05 0.100000E-04    0.989343E+00
 104   -0.425966E-04    0.287285E+02  0.148273E-05 0.100000E-04    0.999909E+00
 105    0.266708E-04    0.232048E+02 -0.114937E-05 0.100000E-04    0.991924E+00
 106    0.112326E-05    0.219326E+02 -0.512140E-07 0.100000E-04    0.809256E+00
 107    0.108949E-03    0.196388E+02 -0.554767E-05 0.100000E-04    0.996940E+00
 108   -0.777889E-04    0.167402E+02  0.464682E-05 0.100000E-04    0.997267E+00
 109    0.714697E-04    0.138078E+02 -0.517604E-05 0.100000E-04    0.997892E+00
 110   -0.929640E-04    0.124521E+02  0.746573E-05 0.100000E-04    0.992670E+00
 111   -0.352745E-03    0.110257E+02  0.100000E-04 0.100000E-04    0.850399E+00
 112    0.112363E-04    0.950259E+01 -0.118244E-05 0.100000E-04    0.993274E+00
 113    0.679193E-02    0.760893E+01 -0.113940E-04 0.113940E-04    0.202678E+00
 114    0.320416E+00    0.480088E+01  0.400000E-03 0.400000E-03    0.195676E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6644649422E-01

 Beginning of optimization cycle  148.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3922130841
 potential> RMS force:                                               0.0301961196   |gradient|=.3224063317    
 Eigenvalues of the Hessian matrix:
   722.36258    671.40622    624.35924    604.00967    589.60615    565.06692 
   563.43281    478.93365    469.21838    462.85258    441.40398    431.22494 
   420.73224    406.20766    398.19541    388.57823    367.04266    363.46311 
   352.24209    341.66700    324.40147    322.10042    318.31445    317.15720 
   305.22915    287.45668    279.74265    271.22758    265.78914    262.52854 
   257.87502    253.47354    243.44148    238.88561    234.78003    228.61726 
   223.79562    212.69469    211.38541    209.29862    203.03496    198.35345 
   195.47041    191.61471    186.06485    177.46950    170.83453    168.01606 
   165.68634    160.41287    153.53590    151.00670    148.89096    142.75370 
   136.93064    134.94158    130.96057    127.66279    125.88633    124.90808 
   119.45008    117.94538    116.56989    112.28254    109.75794    105.38008 
   102.85221    100.29880     97.12373     95.08510     91.01413     90.92297 
    88.72910     84.53896     80.88691     79.26278     78.60510     72.88995 
    71.48772     68.95352     67.81911     63.43019     61.89680     59.65408 
    58.72313     55.84378     53.51267     52.25076     50.29512     47.97785 
    43.43005     39.94983     37.15793     36.18788     35.11635     29.12129 
    28.90809     28.72853     23.20034     21.93299     19.64101     16.74194 
    13.80692     12.44964     11.01396      9.50434      7.60896      4.79996 
overlap for current and previous eigenvector    109 is         0.9999979995
overlap for current and previous eigenvector    110 is         0.9999965619
overlap for current and previous eigenvector    111 is         0.9999938090
overlap for current and previous eigenvector    112 is         0.9999990725
overlap for current and previous eigenvector    113 is         0.9999990327
overlap for current and previous eigenvector    114 is         0.9999994561
J1,K1,R1,R2,RAT=   7   7   -0.4108895039E-01     2.040922866        0.9589110496    
FOB,PFOB,DIAG,PSTEP=   -0.3494468037E-06   -0.3356539882E-06     722.3625799        0.4646999627E-09
J1,K1,R1,R2,RAT=   8   8   -0.2001528995E-02     2.001955371        0.9979984710    
FOB,PFOB,DIAG,PSTEP=   -0.1417081090E-05   -0.1414250362E-05     671.4062243        0.2106449048E-08
J1,K1,R1,R2,RAT=   9   9    0.7401059540E-02     1.992539458        0.9925394584    
FOB,PFOB,DIAG,PSTEP=    0.7469461542E-06    0.7525157336E-06     624.3592392       -0.1205296675E-08
J1,K1,R1,R2,RAT=  10  10   -0.7407244153E-02     2.007372163        0.9925927558    
FOB,PFOB,DIAG,PSTEP=    0.1497509957E-05    0.1486498903E-05     604.0096673       -0.2461094678E-08
J1,K1,R1,R2,RAT=  11  11   -0.3612441423E-02     2.003623040        0.9963875586    
FOB,PFOB,DIAG,PSTEP=   -0.1016806438E-05   -0.1013146525E-05     589.6061483        0.1718335466E-08
J1,K1,R1,R2,RAT= 109 109   -0.1464225726E-02     2.001591066        0.9985357743    
FOB,PFOB,DIAG,PSTEP=    0.7157435351E-04    0.7146971235E-04     13.80691909       -0.5176041051E-05
J1,K1,R1,R2,RAT= 110 110   -0.1413440022E-01     2.014529533        0.9858655998    
FOB,PFOB,DIAG,PSTEP=   -0.9427776005E-04   -0.9296402881E-04     12.44964369        0.7465728993E-05
J1,K1,R1,R2,RAT= 111 111   -0.1505703762         6.555982059        0.8494296238    
FOB,PFOB,DIAG,PSTEP=   -0.3693286484E-03   -0.3527448808E-03     11.01396439        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.4474504178E-01     1.954887133        0.9548871328    
FOB,PFOB,DIAG,PSTEP=    0.1073341704E-04    0.1123627722E-04     9.504335909       -0.1182443908E-05
J1,K1,R1,R2,RAT= 113 113   -0.9979831218         157.6807311        0.2016878190E-02
FOB,PFOB,DIAG,PSTEP=    0.6878453270E-02    0.6791931516E-02     7.608957012       -0.1139402016E-04
J1,K1,R1,R2,RAT= 114 114    0.9980268472        -334.7680166        0.1973152802E-02
FOB,PFOB,DIAG,PSTEP=    0.3223326287        0.3204164337         4.799958706        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00001      0.00001 
     0.00001      0.00002     -0.00002      0.00000     -0.00000      0.00002 
    -0.00000      0.00000     -0.00000     -0.00001      0.00000     -0.00002 
    -0.00001      0.00002      0.00002     -0.00002      0.00001     -0.00004 
     0.00003      0.00001      0.00001      0.00002     -0.00001      0.00002 
    -0.00003     -0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
     0.00000     -0.00004     -0.00004      0.00002     -0.00003     -0.00001 
     0.00002     -0.00002     -0.00005      0.00003      0.00011      0.00005 
    -0.00003      0.00004      0.00003      0.00000      0.00011     -0.00008 
     0.00007     -0.00009     -0.00037      0.00001      0.00688      0.32233 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386613045
 Log product of positive Hessian eigenvalues =          520.3502556369
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7999587062
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000021
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=       -0.0000000019
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000043
 Unscaled step for mode   17=       -0.0000000040
 Unscaled step for mode   18=       -0.0000000087
 Unscaled step for mode   19=       -0.0000000198
 Unscaled step for mode   20=       -0.0000000212
 Unscaled step for mode   21=       -0.0000000141
 Unscaled step for mode   22=       -0.0000000017
 Unscaled step for mode   23=        0.0000000046
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000289
 Unscaled step for mode   26=        0.0000000469
 Unscaled step for mode   27=        0.0000000251
 Unscaled step for mode   28=        0.0000000120
 Unscaled step for mode   29=        0.0000000201
 Unscaled step for mode   30=        0.0000000375
 Unscaled step for mode   31=        0.0000000107
 Unscaled step for mode   32=        0.0000000035
 Unscaled step for mode   33=       -0.0000000192
 Unscaled step for mode   34=       -0.0000000099
 Unscaled step for mode   35=       -0.0000000580
 Unscaled step for mode   36=       -0.0000000141
 Unscaled step for mode   37=        0.0000000279
 Unscaled step for mode   38=        0.0000000133
 Unscaled step for mode   39=        0.0000000465
 Unscaled step for mode   40=       -0.0000000290
 Unscaled step for mode   41=       -0.0000000368
 Unscaled step for mode   42=        0.0000000153
 Unscaled step for mode   43=       -0.0000000135
 Unscaled step for mode   44=        0.0000000241
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000376
 Unscaled step for mode   47=        0.0000000839
 Unscaled step for mode   48=        0.0000000011
 Unscaled step for mode   49=        0.0000000498
 Unscaled step for mode   50=       -0.0000000339
 Unscaled step for mode   51=        0.0000000359
 Unscaled step for mode   52=       -0.0000000013
 Unscaled step for mode   53=       -0.0000000384
 Unscaled step for mode   54=        0.0000000251
 Unscaled step for mode   55=       -0.0000000774
 Unscaled step for mode   56=        0.0000000279
 Unscaled step for mode   57=        0.0000000156
 Unscaled step for mode   58=       -0.0000000694
 Unscaled step for mode   59=       -0.0000000423
 Unscaled step for mode   60=       -0.0000000777
 Unscaled step for mode   61=       -0.0000000637
 Unscaled step for mode   62=       -0.0000001730
 Unscaled step for mode   63=        0.0000001171
 Unscaled step for mode   64=       -0.0000000361
 Unscaled step for mode   65=        0.0000000047
 Unscaled step for mode   66=       -0.0000001367
 Unscaled step for mode   67=        0.0000000116
 Unscaled step for mode   68=       -0.0000000414
 Unscaled step for mode   69=        0.0000000055
 Unscaled step for mode   70=        0.0000000860
 Unscaled step for mode   71=       -0.0000000064
 Unscaled step for mode   72=        0.0000002134
 Unscaled step for mode   73=        0.0000000961
 Unscaled step for mode   74=       -0.0000002380
 Unscaled step for mode   75=       -0.0000001981
 Unscaled step for mode   76=        0.0000002194
 Unscaled step for mode   77=       -0.0000000818
 Unscaled step for mode   78=        0.0000004301
 Unscaled step for mode   79=       -0.0000003580
 Unscaled step for mode   80=       -0.0000001232
 Unscaled step for mode   81=       -0.0000001414
 Unscaled step for mode   82=       -0.0000001923
 Unscaled step for mode   83=        0.0000001156
 Unscaled step for mode   84=       -0.0000002118
 Unscaled step for mode   85=        0.0000003704
 Unscaled step for mode   86=        0.0000004705
 Unscaled step for mode   87=        0.0000000102
 Unscaled step for mode   88=        0.0000000196
 Unscaled step for mode   89=        0.0000004886
 Unscaled step for mode   90=        0.0000002426
 Unscaled step for mode   91=       -0.0000000007
 Unscaled step for mode   92=        0.0000006370
 Unscaled step for mode   93=        0.0000006827
 Unscaled step for mode   94=       -0.0000004059
 Unscaled step for mode   95=        0.0000006689
 Unscaled step for mode   96=        0.0000002048
 Unscaled step for mode   97=       -0.0000005561
 Unscaled step for mode   98=        0.0000004356
 Unscaled step for mode   99=        0.0000012187
 Unscaled step for mode  100=       -0.0000008407
 Unscaled step for mode  101=       -0.0000030258
 Unscaled step for mode  102=       -0.0000017602
 Unscaled step for mode  103=        0.0000009909
 Unscaled step for mode  104=       -0.0000014902
 Unscaled step for mode  105=       -0.0000011583
 Unscaled step for mode  106=       -0.0000000620
 Unscaled step for mode  107=       -0.0000055755
 Unscaled step for mode  108=        0.0000046221
 Unscaled step for mode  109=       -0.0000051839
 Unscaled step for mode  110=        0.0000075727
 Unscaled step for mode  111=        0.0000335328
 Unscaled step for mode  112=       -0.0000011293
 Unscaled step for mode  113=       -0.0009039935
 Unscaled step for mode  114=        0.0668530786
 Largest modulus ratio of non-zero e/values=           150.4934988    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.142247E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.264545E-16    0.100757E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.116172E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.104517E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.119506E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.169217E-15    0.973592E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.349447E-06    0.722363E+03  0.483755E-09 0.100000E-04    0.958911E+00
   8   -0.141708E-05    0.671406E+03  0.211062E-08 0.100000E-04    0.997998E+00
   9    0.746946E-06    0.624359E+03 -0.119634E-08 0.100000E-04    0.992539E+00
  10    0.149751E-05    0.604010E+03 -0.247928E-08 0.100000E-04    0.992593E+00
  11   -0.101681E-05    0.589606E+03  0.172455E-08 0.100000E-04    0.996388E+00
  12    0.316783E-05    0.565067E+03 -0.560612E-08 0.100000E-04    0.999160E+00
  13    0.107832E-05    0.563433E+03 -0.191384E-08 0.100000E-04    0.985704E+00
  14   -0.570064E-05    0.478934E+03  0.119028E-07 0.100000E-04    0.999244E+00
  15    0.176375E-05    0.469218E+03 -0.375892E-08 0.100000E-04    0.995379E+00
  16    0.197833E-05    0.462853E+03 -0.427420E-08 0.100000E-04    0.987233E+00
  17    0.177248E-05    0.441404E+03 -0.401554E-08 0.100000E-04    0.984426E+00
  18    0.375229E-05    0.431225E+03 -0.870147E-08 0.100000E-04    0.997526E+00
  19    0.833078E-05    0.420732E+03 -0.198007E-07 0.100000E-04    0.994040E+00
  20    0.860053E-05    0.406208E+03 -0.211728E-07 0.100000E-04    0.997233E+00
  21    0.560478E-05    0.398195E+03 -0.140755E-07 0.100000E-04    0.994765E+00
  22    0.678900E-06    0.388578E+03 -0.174714E-08 0.100000E-04    0.956816E+00
  23   -0.170497E-05    0.367043E+03  0.464515E-08 0.100000E-04    0.998038E+00
  24    0.180387E-05    0.363463E+03 -0.496301E-08 0.100000E-04    0.996800E+00
  25   -0.101719E-04    0.352242E+03  0.288775E-07 0.100000E-04    0.994636E+00
  26   -0.160255E-04    0.341667E+03  0.469037E-07 0.100000E-04    0.993462E+00
  27   -0.815079E-05    0.324401E+03  0.251256E-07 0.100000E-04    0.995202E+00
  28   -0.385544E-05    0.322100E+03  0.119697E-07 0.100000E-04    0.984116E+00
  29   -0.639152E-05    0.318314E+03  0.200793E-07 0.100000E-04    0.975685E+00
  30   -0.118914E-04    0.317157E+03  0.374938E-07 0.100000E-04    0.983799E+00
  31   -0.327922E-05    0.305229E+03  0.107435E-07 0.100000E-04    0.992283E+00
  32   -0.100997E-05    0.287457E+03  0.351348E-08 0.100000E-04    0.975173E+00
  33    0.535901E-05    0.279743E+03 -0.191569E-07 0.100000E-04    0.992673E+00
  34    0.269378E-05    0.271228E+03 -0.993180E-08 0.100000E-04    0.987117E+00
  35    0.154176E-04    0.265789E+03 -0.580067E-07 0.100000E-04    0.995713E+00
  36    0.370597E-05    0.262529E+03 -0.141164E-07 0.100000E-04    0.986244E+00
  37   -0.720301E-05    0.257875E+03  0.279322E-07 0.100000E-04    0.993170E+00
  38   -0.337193E-05    0.253474E+03  0.133029E-07 0.100000E-04    0.999125E+00
  39   -0.113191E-04    0.243441E+03  0.464960E-07 0.100000E-04    0.994354E+00
  40    0.693454E-05    0.238886E+03 -0.290287E-07 0.100000E-04    0.990895E+00
  41    0.862891E-05    0.234780E+03 -0.367532E-07 0.100000E-04    0.988299E+00
  42   -0.350825E-05    0.228617E+03  0.153455E-07 0.100000E-04    0.992436E+00
  43    0.302968E-05    0.223796E+03 -0.135377E-07 0.100000E-04    0.992630E+00
  44   -0.512937E-05    0.212695E+03  0.241161E-07 0.100000E-04    0.990914E+00
  45    0.374467E-05    0.211385E+03 -0.177149E-07 0.100000E-04    0.997397E+00
  46    0.786017E-05    0.209299E+03 -0.375548E-07 0.100000E-04    0.993411E+00
  47   -0.170334E-04    0.203035E+03  0.838940E-07 0.100000E-04    0.994941E+00
  48   -0.225362E-06    0.198353E+03  0.113617E-08 0.100000E-04    0.924432E+00
  49   -0.972537E-05    0.195470E+03  0.497537E-07 0.100000E-04    0.993737E+00
  50    0.650084E-05    0.191615E+03 -0.339266E-07 0.100000E-04    0.991131E+00
  51   -0.667742E-05    0.186065E+03  0.358876E-07 0.100000E-04    0.995398E+00
  52    0.227468E-06    0.177469E+03 -0.128173E-08 0.100000E-04    0.986476E+00
  53    0.655152E-05    0.170835E+03 -0.383501E-07 0.100000E-04    0.996251E+00
  54   -0.422001E-05    0.168016E+03  0.251167E-07 0.100000E-04    0.991572E+00
  55    0.128159E-04    0.165686E+03 -0.773502E-07 0.100000E-04    0.995613E+00
  56   -0.447547E-05    0.160413E+03  0.278997E-07 0.100000E-04    0.993392E+00
  57   -0.239780E-05    0.153536E+03  0.156172E-07 0.100000E-04    0.992514E+00
  58    0.104856E-04    0.151007E+03 -0.694381E-07 0.100000E-04    0.992745E+00
  59    0.629384E-05    0.148891E+03 -0.422715E-07 0.100000E-04    0.999924E+00
  60    0.110860E-04    0.142754E+03 -0.776579E-07 0.100000E-04    0.996287E+00
  61    0.872914E-05    0.136931E+03 -0.637486E-07 0.100000E-04    0.990802E+00
  62    0.233392E-04    0.134942E+03 -0.172958E-06 0.100000E-04    0.995276E+00
  63   -0.153305E-04    0.130961E+03  0.117062E-06 0.100000E-04    0.993426E+00
  64    0.461160E-05    0.127663E+03 -0.361233E-07 0.100000E-04    0.988081E+00
  65   -0.595718E-06    0.125886E+03  0.473219E-08 0.100000E-04    0.987933E+00
  66    0.170810E-04    0.124908E+03 -0.136749E-06 0.100000E-04    0.993706E+00
  67   -0.138585E-05    0.119450E+03  0.116019E-07 0.100000E-04    0.996159E+00
  68    0.488621E-05    0.117945E+03 -0.414277E-07 0.100000E-04    0.992642E+00
  69   -0.635357E-06    0.116570E+03  0.545044E-08 0.100000E-04    0.944808E+00
  70   -0.965821E-05    0.112283E+03  0.860170E-07 0.100000E-04    0.993603E+00
  71    0.704974E-06    0.109758E+03 -0.642299E-08 0.100000E-04    0.967135E+00
  72   -0.224837E-04    0.105380E+03  0.213358E-06 0.100000E-04    0.991503E+00
  73   -0.988751E-05    0.102852E+03  0.961332E-07 0.100000E-04    0.990536E+00
  74    0.238706E-04    0.100299E+03 -0.237995E-06 0.100000E-04    0.994746E+00
  75    0.192450E-04    0.971237E+02 -0.198149E-06 0.100000E-04    0.991372E+00
  76   -0.208643E-04    0.950851E+02  0.219428E-06 0.100000E-04    0.994514E+00
  77    0.744885E-05    0.910141E+02 -0.818428E-07 0.100000E-04    0.840670E+00
  78   -0.391056E-04    0.909230E+02  0.430096E-06 0.100000E-04    0.998921E+00
  79    0.317691E-04    0.887291E+02 -0.358046E-06 0.100000E-04    0.998773E+00
  80    0.104158E-04    0.845390E+02 -0.123207E-06 0.100000E-04    0.992989E+00
  81    0.114370E-04    0.808869E+02 -0.141395E-06 0.100000E-04    0.993680E+00
  82    0.152424E-04    0.792628E+02 -0.192303E-06 0.100000E-04    0.999192E+00
  83   -0.908385E-05    0.786051E+02  0.115563E-06 0.100000E-04    0.999444E+00
  84    0.154415E-04    0.728900E+02 -0.211846E-06 0.100000E-04    0.990086E+00
  85   -0.264802E-04    0.714877E+02  0.370416E-06 0.100000E-04    0.993076E+00
  86   -0.324418E-04    0.689535E+02  0.470488E-06 0.100000E-04    0.996075E+00
  87   -0.692747E-06    0.678191E+02  0.102146E-07 0.100000E-04    0.822702E+00
  88   -0.124077E-05    0.634302E+02  0.195613E-07 0.100000E-04    0.955154E+00
  89   -0.302400E-04    0.618968E+02  0.488555E-06 0.100000E-04    0.993797E+00
  90   -0.144695E-04    0.596541E+02  0.242557E-06 0.100000E-04    0.990546E+00
  91    0.404696E-07    0.587231E+02 -0.689160E-09 0.100000E-04    0.632831E+00
  92   -0.355728E-04    0.558438E+02  0.637006E-06 0.100000E-04    0.994179E+00
  93   -0.365320E-04    0.535127E+02  0.682680E-06 0.100000E-04    0.996441E+00
  94    0.212103E-04    0.522508E+02 -0.405932E-06 0.100000E-04    0.990642E+00
  95   -0.336437E-04    0.502951E+02  0.668926E-06 0.100000E-04    0.997528E+00
  96   -0.982819E-05    0.479778E+02  0.204848E-06 0.100000E-04    0.999955E+00
  97    0.241535E-04    0.434300E+02 -0.556148E-06 0.100000E-04    0.992541E+00
  98   -0.174005E-04    0.399498E+02  0.435559E-06 0.100000E-04    0.993957E+00
  99   -0.452854E-04    0.371579E+02  0.121873E-05 0.100000E-04    0.984841E+00
 100    0.304214E-04    0.361879E+02 -0.840653E-06 0.100000E-04    0.996651E+00
 101    0.106255E-03    0.351164E+02 -0.302580E-05 0.100000E-04    0.996351E+00
 102    0.512606E-04    0.291213E+02 -0.176024E-05 0.100000E-04    0.986576E+00
 103   -0.286454E-04    0.289081E+02  0.990912E-06 0.100000E-04    0.988281E+00
 104    0.428109E-04    0.287285E+02 -0.149019E-05 0.100000E-04    0.994968E+00
 105    0.268722E-04    0.232003E+02 -0.115827E-05 0.100000E-04    0.992449E+00
 106    0.135930E-05    0.219330E+02 -0.619751E-07 0.100000E-04    0.789861E+00
 107    0.109509E-03    0.196410E+02 -0.557553E-05 0.100000E-04    0.994864E+00
 108   -0.773830E-04    0.167419E+02  0.462211E-05 0.100000E-04    0.994582E+00
 109    0.715744E-04    0.138069E+02 -0.518395E-05 0.100000E-04    0.998536E+00
 110   -0.942778E-04    0.124496E+02  0.757273E-05 0.100000E-04    0.985866E+00
 111   -0.369329E-03    0.110140E+02  0.100000E-04 0.100000E-04    0.849430E+00
 112    0.107334E-04    0.950434E+01 -0.112932E-05 0.100000E-04    0.954887E+00
 113    0.687845E-02    0.760896E+01 -0.124195E-04 0.124195E-04    0.201688E-02
 114    0.322333E+00    0.479996E+01  0.400000E-03 0.400000E-03    0.197315E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6685307857E-01

 Beginning of optimization cycle  149.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3920838565
 potential> RMS force:                                               0.0303756683   |gradient|=.3243233874    
 Eigenvalues of the Hessian matrix:
   722.42253    671.42159    624.37769    604.02026    589.60286    565.08773 
   563.47067    478.95176    469.19564    462.84213    441.40217    431.21516 
   420.73994    406.21854    398.19153    388.58182    367.04519    363.45295 
   352.23341    341.62864    324.40754    322.08817    318.31521    317.15274 
   305.22582    287.46014    279.73806    271.22175    265.79064    262.53787 
   257.88038    253.47559    243.43053    238.87269    234.79173    228.61937 
   223.77661    212.69556    211.39065    209.28600    203.03792    198.34919 
   195.47223    191.61454    186.05678    177.45501    170.83835    168.01299 
   165.68495    160.40805    153.53357    151.00563    148.89650    142.75729 
   136.93104    134.94679    130.95931    127.66248    125.88950    124.91444 
   119.45096    117.94548    116.57330    112.27510    109.74809    105.37631 
   102.85317    100.29460     97.12052     95.08591     91.00881     90.92995 
    88.74051     84.54068     80.88711     79.26638     78.60295     72.88744 
    71.49098     68.94426     67.82134     63.42911     61.88848     59.65397 
    58.72604     55.84457     53.50936     52.24997     50.29463     47.97686 
    43.42563     39.95246     37.15260     36.18604     35.12383     29.11373 
    28.90565     28.72853     23.19593     21.93340     19.64328     16.74360 
    13.80605     12.44722     11.00215      9.50608      7.60895      4.79900 
overlap for current and previous eigenvector    109 is         0.9999980231
overlap for current and previous eigenvector    110 is         0.9999966391
overlap for current and previous eigenvector    111 is         0.9999938760
overlap for current and previous eigenvector    112 is         0.9999990450
overlap for current and previous eigenvector    113 is         0.9999990250
overlap for current and previous eigenvector    114 is         0.9999994594
J1,K1,R1,R2,RAT=   7   7   -0.3091532087E-01     2.030749351        0.9690846791    
FOB,PFOB,DIAG,PSTEP=   -0.3602509604E-06   -0.3494468037E-06     722.4225302        0.4837554068E-09
J1,K1,R1,R2,RAT=   8   8   -0.1835737251E-01     2.018311602        0.9816426275    
FOB,PFOB,DIAG,PSTEP=   -0.1443095571E-05   -0.1417081090E-05     671.4215898        0.2110616552E-08
J1,K1,R1,R2,RAT=   9   9   -0.9549686141E-02     2.009490581        0.9904503139    
FOB,PFOB,DIAG,PSTEP=    0.7540794664E-06    0.7469461542E-06     624.3776912       -0.1196340356E-08
J1,K1,R1,R2,RAT=  10  10    0.2859421555E-02     1.997105517        0.9971055167    
FOB,PFOB,DIAG,PSTEP=    0.1493227869E-05    0.1497509957E-05     604.0202563       -0.2479281438E-08
J1,K1,R1,R2,RAT=  11  11    0.1016368743E-03     1.999909518        0.9998983631    
FOB,PFOB,DIAG,PSTEP=   -0.1016703093E-05   -0.1016806438E-05     589.6028600        0.1724551959E-08
J1,K1,R1,R2,RAT= 109 109   -0.2029181286E-02     2.002154623        0.9979708187    
FOB,PFOB,DIAG,PSTEP=    0.7171958174E-04    0.7157435351E-04     13.80605317       -0.5183948210E-05
J1,K1,R1,R2,RAT= 110 110   -0.7150337211E-02     2.007540305        0.9928496628    
FOB,PFOB,DIAG,PSTEP=   -0.9495174641E-04   -0.9427776005E-04     12.44721669        0.7572727571E-05
J1,K1,R1,R2,RAT= 111 111   -0.1588722365         6.872624059        0.8411277635    
FOB,PFOB,DIAG,PSTEP=   -0.3868080161E-03   -0.3693286484E-03     11.00215373        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6162344920E-02     1.993469886        0.9934698864    
FOB,PFOB,DIAG,PSTEP=    0.1066726186E-04    0.1073341704E-04     9.506083929       -0.1129317939E-05
J1,K1,R1,R2,RAT= 113 113   -0.8320959735         146.4089670        0.1679040265    
FOB,PFOB,DIAG,PSTEP=    0.6957085723E-02    0.6878453270E-02     7.608953405       -0.1241948198E-04
J1,K1,R1,R2,RAT= 114 114    0.9980162382        -336.8310031        0.1983761800E-02
FOB,PFOB,DIAG,PSTEP=    0.3242484214        0.3223326287         4.799001905        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001      0.00000     -0.00000      0.00001     -0.00001      0.00001 
     0.00001      0.00002     -0.00002      0.00000     -0.00000     -0.00002 
     0.00000     -0.00000      0.00000      0.00001     -0.00000     -0.00002 
    -0.00001     -0.00002     -0.00002     -0.00002     -0.00001      0.00004 
     0.00003      0.00001      0.00001      0.00002     -0.00001     -0.00002 
     0.00003     -0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
     0.00000     -0.00004     -0.00004      0.00002      0.00003      0.00001 
    -0.00002     -0.00002     -0.00005     -0.00003     -0.00011      0.00005 
    -0.00003      0.00004     -0.00003     -0.00000     -0.00011     -0.00008 
     0.00007     -0.00009     -0.00039      0.00001      0.00696      0.32425 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386733655
 Log product of positive Hessian eigenvalues =          520.3481909711
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7990019052
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000021
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=       -0.0000000018
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000043
 Unscaled step for mode   17=       -0.0000000040
 Unscaled step for mode   18=       -0.0000000087
 Unscaled step for mode   19=       -0.0000000199
 Unscaled step for mode   20=       -0.0000000212
 Unscaled step for mode   21=       -0.0000000141
 Unscaled step for mode   22=       -0.0000000018
 Unscaled step for mode   23=        0.0000000046
 Unscaled step for mode   24=       -0.0000000050
 Unscaled step for mode   25=        0.0000000290
 Unscaled step for mode   26=        0.0000000472
 Unscaled step for mode   27=        0.0000000253
 Unscaled step for mode   28=        0.0000000118
 Unscaled step for mode   29=        0.0000000197
 Unscaled step for mode   30=        0.0000000381
 Unscaled step for mode   31=        0.0000000109
 Unscaled step for mode   32=        0.0000000036
 Unscaled step for mode   33=       -0.0000000192
 Unscaled step for mode   34=       -0.0000000100
 Unscaled step for mode   35=       -0.0000000583
 Unscaled step for mode   36=       -0.0000000143
 Unscaled step for mode   37=        0.0000000281
 Unscaled step for mode   38=        0.0000000134
 Unscaled step for mode   39=        0.0000000467
 Unscaled step for mode   40=       -0.0000000294
 Unscaled step for mode   41=       -0.0000000372
 Unscaled step for mode   42=        0.0000000155
 Unscaled step for mode   43=       -0.0000000137
 Unscaled step for mode   44=        0.0000000246
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000380
 Unscaled step for mode   47=        0.0000000845
 Unscaled step for mode   48=        0.0000000010
 Unscaled step for mode   49=        0.0000000502
 Unscaled step for mode   50=       -0.0000000340
 Unscaled step for mode   51=        0.0000000362
 Unscaled step for mode   52=       -0.0000000012
 Unscaled step for mode   53=       -0.0000000386
 Unscaled step for mode   54=        0.0000000255
 Unscaled step for mode   55=       -0.0000000778
 Unscaled step for mode   56=       -0.0000000279
 Unscaled step for mode   57=        0.0000000158
 Unscaled step for mode   58=       -0.0000000698
 Unscaled step for mode   59=        0.0000000425
 Unscaled step for mode   60=       -0.0000000783
 Unscaled step for mode   61=       -0.0000000641
 Unscaled step for mode   62=       -0.0000001736
 Unscaled step for mode   63=        0.0000001175
 Unscaled step for mode   64=       -0.0000000366
 Unscaled step for mode   65=        0.0000000045
 Unscaled step for mode   66=        0.0000001374
 Unscaled step for mode   67=       -0.0000000118
 Unscaled step for mode   68=        0.0000000417
 Unscaled step for mode   69=       -0.0000000056
 Unscaled step for mode   70=       -0.0000000869
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=        0.0000002146
 Unscaled step for mode   73=        0.0000000971
 Unscaled step for mode   74=        0.0000002388
 Unscaled step for mode   75=        0.0000002002
 Unscaled step for mode   76=        0.0000002207
 Unscaled step for mode   77=        0.0000000973
 Unscaled step for mode   78=       -0.0000004301
 Unscaled step for mode   79=       -0.0000003579
 Unscaled step for mode   80=       -0.0000001242
 Unscaled step for mode   81=       -0.0000001421
 Unscaled step for mode   82=       -0.0000001919
 Unscaled step for mode   83=        0.0000001164
 Unscaled step for mode   84=        0.0000002131
 Unscaled step for mode   85=       -0.0000003718
 Unscaled step for mode   86=        0.0000004721
 Unscaled step for mode   87=        0.0000000073
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=        0.0000004911
 Unscaled step for mode   90=        0.0000002432
 Unscaled step for mode   91=       -0.0000000004
 Unscaled step for mode   92=        0.0000006416
 Unscaled step for mode   93=        0.0000006833
 Unscaled step for mode   94=       -0.0000004081
 Unscaled step for mode   95=       -0.0000006692
 Unscaled step for mode   96=       -0.0000002060
 Unscaled step for mode   97=        0.0000005583
 Unscaled step for mode   98=        0.0000004380
 Unscaled step for mode   99=        0.0000012307
 Unscaled step for mode  100=        0.0000008367
 Unscaled step for mode  101=        0.0000030346
 Unscaled step for mode  102=       -0.0000017751
 Unscaled step for mode  103=        0.0000009781
 Unscaled step for mode  104=       -0.0000014903
 Unscaled step for mode  105=        0.0000011676
 Unscaled step for mode  106=        0.0000000501
 Unscaled step for mode  107=        0.0000055915
 Unscaled step for mode  108=        0.0000046092
 Unscaled step for mode  109=       -0.0000051948
 Unscaled step for mode  110=        0.0000076284
 Unscaled step for mode  111=        0.0000351575
 Unscaled step for mode  112=       -0.0000011222
 Unscaled step for mode  113=       -0.0009143281
 Unscaled step for mode  114=        0.0672601411
 Largest modulus ratio of non-zero e/values=           150.5359957    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.633608E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.375134E-16    0.100756E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.655725E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.867362E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.455599E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.248065E-15    0.973594E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.360251E-06    0.722423E+03  0.498671E-09 0.100000E-04    0.969085E+00
   8   -0.144310E-05    0.671422E+03  0.214931E-08 0.100000E-04    0.981643E+00
   9    0.754079E-06    0.624378E+03 -0.120773E-08 0.100000E-04    0.990450E+00
  10    0.149323E-05    0.604020E+03 -0.247215E-08 0.100000E-04    0.997106E+00
  11   -0.101670E-05    0.589603E+03  0.172439E-08 0.100000E-04    0.999898E+00
  12    0.317993E-05    0.565088E+03 -0.562731E-08 0.100000E-04    0.996182E+00
  13    0.103947E-05    0.563471E+03 -0.184477E-08 0.100000E-04    0.963839E+00
  14   -0.569602E-05    0.478952E+03  0.118927E-07 0.100000E-04    0.999114E+00
  15    0.177432E-05    0.469196E+03 -0.378162E-08 0.100000E-04    0.994009E+00
  16    0.199158E-05    0.462842E+03 -0.430293E-08 0.100000E-04    0.993302E+00
  17    0.177940E-05    0.441402E+03 -0.403125E-08 0.100000E-04    0.996094E+00
  18    0.376986E-05    0.431215E+03 -0.874241E-08 0.100000E-04    0.995318E+00
  19    0.837179E-05    0.420740E+03 -0.198978E-07 0.100000E-04    0.995077E+00
  20    0.860629E-05    0.406219E+03 -0.211864E-07 0.100000E-04    0.999331E+00
  21    0.562501E-05    0.398192E+03 -0.141264E-07 0.100000E-04    0.996390E+00
  22    0.701030E-06    0.388582E+03 -0.180407E-08 0.100000E-04    0.967403E+00
  23   -0.169447E-05    0.367045E+03  0.461650E-08 0.100000E-04    0.993826E+00
  24    0.179948E-05    0.363453E+03 -0.495108E-08 0.100000E-04    0.997568E+00
  25   -0.102296E-04    0.352233E+03  0.290422E-07 0.100000E-04    0.994320E+00
  26   -0.161255E-04    0.341629E+03  0.472017E-07 0.100000E-04    0.993759E+00
  27   -0.819990E-05    0.324408E+03  0.252766E-07 0.100000E-04    0.993974E+00
  28   -0.379822E-05    0.322088E+03  0.117925E-07 0.100000E-04    0.985158E+00
  29   -0.625763E-05    0.318315E+03  0.196586E-07 0.100000E-04    0.979046E+00
  30   -0.120908E-04    0.317153E+03  0.381229E-07 0.100000E-04    0.983236E+00
  31   -0.332661E-05    0.305226E+03  0.108989E-07 0.100000E-04    0.985547E+00
  32   -0.102738E-05    0.287460E+03  0.357398E-08 0.100000E-04    0.982767E+00
  33    0.538430E-05    0.279738E+03 -0.192477E-07 0.100000E-04    0.995280E+00
  34    0.270770E-05    0.271222E+03 -0.998336E-08 0.100000E-04    0.994830E+00
  35    0.155079E-04    0.265791E+03 -0.583463E-07 0.100000E-04    0.994141E+00
  36    0.374993E-05    0.262538E+03 -0.142834E-07 0.100000E-04    0.988138E+00
  37   -0.725663E-05    0.257880E+03  0.281395E-07 0.100000E-04    0.992555E+00
  38   -0.339119E-05    0.253476E+03  0.133788E-07 0.100000E-04    0.994290E+00
  39   -0.113712E-04    0.243431E+03  0.467121E-07 0.100000E-04    0.995397E+00
  40    0.701286E-05    0.238873E+03 -0.293582E-07 0.100000E-04    0.988704E+00
  41    0.873049E-05    0.234792E+03 -0.371840E-07 0.100000E-04    0.988229E+00
  42   -0.354161E-05    0.228619E+03  0.154913E-07 0.100000E-04    0.990491E+00
  43    0.307066E-05    0.223777E+03 -0.137220E-07 0.100000E-04    0.986476E+00
  44   -0.523694E-05    0.212696E+03  0.246218E-07 0.100000E-04    0.979028E+00
  45    0.373468E-05    0.211391E+03 -0.176672E-07 0.100000E-04    0.997284E+00
  46    0.794380E-05    0.209286E+03 -0.379567E-07 0.100000E-04    0.989359E+00
  47   -0.171546E-04    0.203038E+03  0.844896E-07 0.100000E-04    0.992886E+00
  48   -0.203518E-06    0.198349E+03  0.102606E-08 0.100000E-04    0.903066E+00
  49   -0.981156E-05    0.195472E+03  0.501942E-07 0.100000E-04    0.991138E+00
  50    0.651000E-05    0.191615E+03 -0.339745E-07 0.100000E-04    0.998591E+00
  51   -0.673441E-05    0.186057E+03  0.361955E-07 0.100000E-04    0.991465E+00
  52    0.218205E-06    0.177455E+03 -0.122964E-08 0.100000E-04    0.959275E+00
  53    0.658933E-05    0.170838E+03 -0.385705E-07 0.100000E-04    0.994229E+00
  54   -0.427670E-05    0.168013E+03  0.254546E-07 0.100000E-04    0.986567E+00
  55    0.128866E-04    0.165685E+03 -0.777775E-07 0.100000E-04    0.994484E+00
  56    0.448264E-05    0.160408E+03 -0.279452E-07 0.100000E-04    0.998398E+00
  57   -0.242514E-05    0.153534E+03  0.157955E-07 0.100000E-04    0.988599E+00
  58    0.105471E-04    0.151006E+03 -0.698456E-07 0.100000E-04    0.994139E+00
  59   -0.633084E-05    0.148896E+03  0.425184E-07 0.100000E-04    0.994121E+00
  60    0.111751E-04    0.142757E+03 -0.782805E-07 0.100000E-04    0.991958E+00
  61    0.878081E-05    0.136931E+03 -0.641258E-07 0.100000E-04    0.994081E+00
  62    0.234289E-04    0.134947E+03 -0.173616E-06 0.100000E-04    0.996158E+00
  63   -0.153818E-04    0.130959E+03  0.117455E-06 0.100000E-04    0.996655E+00
  64    0.467774E-05    0.127662E+03 -0.366415E-07 0.100000E-04    0.985659E+00
  65   -0.563793E-06    0.125889E+03  0.447847E-08 0.100000E-04    0.946359E+00
  66   -0.171576E-04    0.124914E+03  0.137354E-06 0.100000E-04    0.995520E+00
  67    0.140951E-05    0.119451E+03 -0.117999E-07 0.100000E-04    0.982923E+00
  68   -0.491522E-05    0.117945E+03  0.416736E-07 0.100000E-04    0.994063E+00
  69    0.652669E-06    0.116573E+03 -0.559879E-08 0.100000E-04    0.972753E+00
  70    0.976147E-05    0.112275E+03 -0.869424E-07 0.100000E-04    0.989308E+00
  71   -0.720829E-06    0.109748E+03  0.656803E-08 0.100000E-04    0.977509E+00
  72   -0.226096E-04    0.105376E+03  0.214560E-06 0.100000E-04    0.994400E+00
  73   -0.999076E-05    0.102853E+03  0.971362E-07 0.100000E-04    0.989557E+00
  74   -0.239488E-04    0.100295E+03  0.238785E-06 0.100000E-04    0.996723E+00
  75   -0.194476E-04    0.971205E+02  0.200242E-06 0.100000E-04    0.989471E+00
  76   -0.209900E-04    0.950859E+02  0.220748E-06 0.100000E-04    0.993975E+00
  77   -0.885890E-05    0.910088E+02  0.973412E-07 0.100000E-04    0.810692E+00
  78    0.391120E-04    0.909299E+02 -0.430133E-06 0.100000E-04    0.999839E+00
  79    0.317597E-04    0.887405E+02 -0.357894E-06 0.100000E-04    0.999447E+00
  80    0.105039E-04    0.845407E+02 -0.124246E-06 0.100000E-04    0.991546E+00
  81    0.114939E-04    0.808871E+02 -0.142098E-06 0.100000E-04    0.995024E+00
  82    0.152148E-04    0.792664E+02 -0.191946E-06 0.100000E-04    0.998098E+00
  83   -0.915135E-05    0.786030E+02  0.116425E-06 0.100000E-04    0.992569E+00
  84   -0.155343E-04    0.728874E+02  0.213128E-06 0.100000E-04    0.993984E+00
  85    0.265824E-04    0.714910E+02 -0.371828E-06 0.100000E-04    0.996143E+00
  86   -0.325501E-04    0.689443E+02  0.472122E-06 0.100000E-04    0.996661E+00
  87   -0.495462E-06    0.678213E+02  0.730539E-08 0.100000E-04    0.715156E+00
  88   -0.123359E-05    0.634291E+02  0.194484E-07 0.100000E-04    0.994211E+00
  89   -0.303904E-04    0.618885E+02  0.491052E-06 0.100000E-04    0.995025E+00
  90   -0.145079E-04    0.596540E+02  0.243201E-06 0.100000E-04    0.997345E+00
  91    0.246159E-07    0.587260E+02 -0.419165E-09 0.100000E-04    0.608177E+00
  92   -0.358315E-04    0.558446E+02  0.641628E-06 0.100000E-04    0.992729E+00
  93   -0.365646E-04    0.535094E+02  0.683331E-06 0.100000E-04    0.999108E+00
  94    0.213223E-04    0.522500E+02 -0.408083E-06 0.100000E-04    0.994716E+00
  95    0.336574E-04    0.502946E+02 -0.669205E-06 0.100000E-04    0.999593E+00
  96    0.988207E-05    0.479769E+02 -0.205976E-06 0.100000E-04    0.994517E+00
  97   -0.242447E-04    0.434256E+02  0.558303E-06 0.100000E-04    0.996227E+00
  98   -0.174998E-04    0.399525E+02  0.438015E-06 0.100000E-04    0.994295E+00
  99   -0.457249E-04    0.371526E+02  0.123073E-05 0.100000E-04    0.990292E+00
 100   -0.302784E-04    0.361860E+02  0.836741E-06 0.100000E-04    0.995296E+00
 101   -0.106585E-03    0.351238E+02  0.303456E-05 0.100000E-04    0.996892E+00
 102    0.516806E-04    0.291137E+02 -0.177513E-05 0.100000E-04    0.991804E+00
 103   -0.282725E-04    0.289057E+02  0.978095E-06 0.100000E-04    0.986980E+00
 104    0.428149E-04    0.287285E+02 -0.149033E-05 0.100000E-04    0.999908E+00
 105   -0.270847E-04    0.231959E+02  0.116765E-05 0.100000E-04    0.992090E+00
 106   -0.109839E-05    0.219334E+02  0.500784E-07 0.100000E-04    0.808022E+00
 107   -0.109834E-03    0.196433E+02  0.559145E-05 0.100000E-04    0.997029E+00
 108   -0.771748E-04    0.167436E+02  0.460921E-05 0.100000E-04    0.997111E+00
 109    0.717196E-04    0.138061E+02 -0.519479E-05 0.100000E-04    0.997971E+00
 110   -0.949517E-04    0.124472E+02  0.762835E-05 0.100000E-04    0.992850E+00
 111   -0.386808E-03    0.110022E+02  0.100000E-04 0.100000E-04    0.841128E+00
 112    0.106673E-04    0.950608E+01 -0.112215E-05 0.100000E-04    0.993470E+00
 113    0.695709E-02    0.760895E+01 -0.135372E-04 0.135372E-04    0.167904E+00
 114    0.324248E+00    0.479900E+01  0.400000E-03 0.400000E-03    0.198376E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6726014112E-01

 Beginning of optimization cycle  150.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3919538716
 potential> RMS force:                                               0.0305551617   |gradient|=.3262398530    
 Eigenvalues of the Hessian matrix:
   722.48244    671.43683    624.39603    604.03085    589.59941    565.10865 
   563.50848    478.96989    469.17288    462.83173    441.40041    431.20549 
   420.74768    406.22944    398.18767    388.58539    367.04779    363.44277 
   352.22482    341.59040    324.41365    322.07610    318.31655    317.14748 
   305.22248    287.46363    279.73346    271.21599    265.79222    262.54727 
   257.88590    253.47767    243.41969    238.85979    234.80348    228.62148 
   223.75760    212.69655    211.39592    209.27335    203.04091    198.34497 
   195.47402    191.61436    186.04868    177.44052    170.84218    168.00992 
   165.68356    160.40317    153.53133    151.00457    148.90195    142.76084 
   136.93144    134.95203    130.95801    127.66219    125.89263    124.92078 
   119.45184    117.94558    116.57667    112.26765    109.73818    105.37251 
   102.85414    100.29040     97.11723     95.08669     91.00376     90.93672 
    88.75190     84.54242     80.88731     79.26999     78.60080     72.88493 
    71.49420     68.93496     67.82350     63.42807     61.88007     59.65387 
    58.72893     55.84535     53.50601     52.24918     50.29412     47.97584 
    43.42121     39.95506     37.14736     36.18402     35.13127     29.10627 
    28.90313     28.72852     23.19156     21.93379     19.64556     16.74523 
    13.80520     12.44482     10.99030      9.50783      7.60892      4.79801 
overlap for current and previous eigenvector    109 is         0.9999980466
overlap for current and previous eigenvector    110 is         0.9999967165
overlap for current and previous eigenvector    111 is         0.9999939420
overlap for current and previous eigenvector    112 is         0.9999990159
overlap for current and previous eigenvector    113 is         0.9999990168
overlap for current and previous eigenvector    114 is         0.9999994624
J1,K1,R1,R2,RAT=   7   7   -0.2922106494E-01     2.029055207        0.9707789351    
FOB,PFOB,DIAG,PSTEP=   -0.3707787501E-06   -0.3602509604E-06     722.4824448        0.4986707159E-09
J1,K1,R1,R2,RAT=   8   8   -0.1870536204E-01     2.018659977        0.9812946380    
FOB,PFOB,DIAG,PSTEP=   -0.1470089809E-05   -0.1443095571E-05     671.4368263        0.2149313625E-08
J1,K1,R1,R2,RAT=   9   9   -0.9629573121E-02     2.009570829        0.9903704269    
FOB,PFOB,DIAG,PSTEP=    0.7613411430E-06    0.7540794664E-06     624.3960310       -0.1207729675E-08
J1,K1,R1,R2,RAT=  10  10    0.3134188485E-02     1.996830743        0.9968307429    
FOB,PFOB,DIAG,PSTEP=    0.1488547730E-05    0.1493227869E-05     604.0308476       -0.2472148663E-08
J1,K1,R1,R2,RAT=  11  11    0.5077729069E-03     1.999503946        0.9994922271    
FOB,PFOB,DIAG,PSTEP=   -0.1016186842E-05   -0.1016703093E-05     589.5994053        0.1724386299E-08
J1,K1,R1,R2,RAT= 109 109   -0.2111279632E-02     2.002235396        0.9978887204    
FOB,PFOB,DIAG,PSTEP=    0.7187099244E-04    0.7171958174E-04     13.80519644       -0.5194792521E-05
J1,K1,R1,R2,RAT= 110 110   -0.6328332148E-02     2.006713312        0.9936716679    
FOB,PFOB,DIAG,PSTEP=   -0.9555251696E-04   -0.9495174641E-04     12.44482119        0.7628351685E-05
J1,K1,R1,R2,RAT= 111 111   -0.1680586179         7.207140767        0.8319413821    
FOB,PFOB,DIAG,PSTEP=   -0.4052781573E-03   -0.3868080161E-03     10.99029697        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.3022705495E-02     1.996609558        0.9966095584    
FOB,PFOB,DIAG,PSTEP=    0.1063501194E-04    0.1066726186E-04     9.507832115       -0.1122151029E-05
J1,K1,R1,R2,RAT= 113 113   -0.6812489578         135.7654266        0.3187510422    
FOB,PFOB,DIAG,PSTEP=    0.7027256893E-02    0.6957085723E-02     7.608917715       -0.1353723535E-04
J1,K1,R1,R2,RAT= 114 114    0.9980064168        -338.8967495        0.1993583198E-02
FOB,PFOB,DIAG,PSTEP=    0.3261638000        0.3242484214         4.798011655        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001      0.00000     -0.00000      0.00001     -0.00001      0.00001 
    -0.00001      0.00002     -0.00002      0.00000     -0.00000     -0.00002 
     0.00000     -0.00000      0.00000      0.00001     -0.00000     -0.00002 
    -0.00001     -0.00002     -0.00002     -0.00002     -0.00001      0.00004 
     0.00003      0.00001      0.00001      0.00002     -0.00001     -0.00002 
     0.00003     -0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
     0.00000     -0.00004     -0.00004      0.00002      0.00003      0.00001 
    -0.00002      0.00002      0.00005      0.00003     -0.00011      0.00005 
    -0.00003      0.00004     -0.00003     -0.00000     -0.00011     -0.00008 
     0.00007     -0.00010     -0.00041      0.00001      0.00703      0.32616 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386871635
 Log product of positive Hessian eigenvalues =          520.3461048001
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7980116548
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000022
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=       -0.0000000018
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000043
 Unscaled step for mode   17=       -0.0000000040
 Unscaled step for mode   18=       -0.0000000088
 Unscaled step for mode   19=       -0.0000000200
 Unscaled step for mode   20=       -0.0000000212
 Unscaled step for mode   21=       -0.0000000142
 Unscaled step for mode   22=       -0.0000000019
 Unscaled step for mode   23=        0.0000000046
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000292
 Unscaled step for mode   26=        0.0000000475
 Unscaled step for mode   27=        0.0000000254
 Unscaled step for mode   28=        0.0000000116
 Unscaled step for mode   29=        0.0000000192
 Unscaled step for mode   30=        0.0000000387
 Unscaled step for mode   31=        0.0000000111
 Unscaled step for mode   32=        0.0000000036
 Unscaled step for mode   33=       -0.0000000193
 Unscaled step for mode   34=       -0.0000000100
 Unscaled step for mode   35=       -0.0000000587
 Unscaled step for mode   36=       -0.0000000145
 Unscaled step for mode   37=        0.0000000283
 Unscaled step for mode   38=        0.0000000135
 Unscaled step for mode   39=        0.0000000469
 Unscaled step for mode   40=       -0.0000000297
 Unscaled step for mode   41=       -0.0000000376
 Unscaled step for mode   42=        0.0000000156
 Unscaled step for mode   43=       -0.0000000139
 Unscaled step for mode   44=        0.0000000251
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000384
 Unscaled step for mode   47=        0.0000000851
 Unscaled step for mode   48=        0.0000000009
 Unscaled step for mode   49=        0.0000000506
 Unscaled step for mode   50=       -0.0000000340
 Unscaled step for mode   51=        0.0000000365
 Unscaled step for mode   52=       -0.0000000012
 Unscaled step for mode   53=       -0.0000000388
 Unscaled step for mode   54=        0.0000000258
 Unscaled step for mode   55=       -0.0000000782
 Unscaled step for mode   56=       -0.0000000280
 Unscaled step for mode   57=        0.0000000160
 Unscaled step for mode   58=       -0.0000000703
 Unscaled step for mode   59=        0.0000000428
 Unscaled step for mode   60=       -0.0000000789
 Unscaled step for mode   61=        0.0000000645
 Unscaled step for mode   62=       -0.0000001743
 Unscaled step for mode   63=        0.0000001178
 Unscaled step for mode   64=       -0.0000000372
 Unscaled step for mode   65=        0.0000000042
 Unscaled step for mode   66=        0.0000001380
 Unscaled step for mode   67=       -0.0000000120
 Unscaled step for mode   68=        0.0000000419
 Unscaled step for mode   69=       -0.0000000057
 Unscaled step for mode   70=       -0.0000000879
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=        0.0000002157
 Unscaled step for mode   73=        0.0000000982
 Unscaled step for mode   74=        0.0000002395
 Unscaled step for mode   75=        0.0000002023
 Unscaled step for mode   76=        0.0000002221
 Unscaled step for mode   77=        0.0000001183
 Unscaled step for mode   78=       -0.0000004282
 Unscaled step for mode   79=       -0.0000003577
 Unscaled step for mode   80=       -0.0000001253
 Unscaled step for mode   81=       -0.0000001428
 Unscaled step for mode   82=       -0.0000001916
 Unscaled step for mode   83=        0.0000001173
 Unscaled step for mode   84=        0.0000002144
 Unscaled step for mode   85=       -0.0000003732
 Unscaled step for mode   86=        0.0000004737
 Unscaled step for mode   87=        0.0000000044
 Unscaled step for mode   88=        0.0000000193
 Unscaled step for mode   89=        0.0000004934
 Unscaled step for mode   90=        0.0000002437
 Unscaled step for mode   91=       -0.0000000001
 Unscaled step for mode   92=        0.0000006463
 Unscaled step for mode   93=        0.0000006839
 Unscaled step for mode   94=       -0.0000004102
 Unscaled step for mode   95=       -0.0000006694
 Unscaled step for mode   96=       -0.0000002071
 Unscaled step for mode   97=        0.0000005602
 Unscaled step for mode   98=       -0.0000004405
 Unscaled step for mode   99=       -0.0000012424
 Unscaled step for mode  100=       -0.0000008329
 Unscaled step for mode  101=        0.0000030430
 Unscaled step for mode  102=       -0.0000017899
 Unscaled step for mode  103=        0.0000009641
 Unscaled step for mode  104=       -0.0000014902
 Unscaled step for mode  105=        0.0000011762
 Unscaled step for mode  106=        0.0000000372
 Unscaled step for mode  107=        0.0000056064
 Unscaled step for mode  108=        0.0000045975
 Unscaled step for mode  109=       -0.0000052061
 Unscaled step for mode  110=        0.0000076781
 Unscaled step for mode  111=        0.0000368760
 Unscaled step for mode  112=       -0.0000011186
 Unscaled step for mode  113=       -0.0009235546
 Unscaled step for mode  114=        0.0676676813
 Largest modulus ratio of non-zero e/values=           150.5795519    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.140296E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.409612E-15    0.100756E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.305528E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.127347E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.475748E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.368195E-15    0.973596E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.370779E-06    0.722482E+03  0.513201E-09 0.100000E-04    0.970779E+00
   8   -0.147009E-05    0.671437E+03  0.218947E-08 0.100000E-04    0.981295E+00
   9    0.761341E-06    0.624396E+03 -0.121932E-08 0.100000E-04    0.990370E+00
  10    0.148855E-05    0.604031E+03 -0.246436E-08 0.100000E-04    0.996831E+00
  11   -0.101619E-05    0.589599E+03  0.172352E-08 0.100000E-04    0.999492E+00
  12    0.319207E-05    0.565109E+03 -0.564860E-08 0.100000E-04    0.996180E+00
  13    0.999259E-06    0.563508E+03 -0.177328E-08 0.100000E-04    0.961183E+00
  14   -0.569127E-05    0.478970E+03  0.118823E-07 0.100000E-04    0.999091E+00
  15    0.178561E-05    0.469173E+03 -0.380587E-08 0.100000E-04    0.993635E+00
  16    0.200476E-05    0.462832E+03 -0.433151E-08 0.100000E-04    0.993381E+00
  17    0.178566E-05    0.441400E+03 -0.404545E-08 0.100000E-04    0.996481E+00
  18    0.378693E-05    0.431205E+03 -0.878220E-08 0.100000E-04    0.995470E+00
  19    0.841262E-05    0.420748E+03 -0.199945E-07 0.100000E-04    0.995122E+00
  20    0.861052E-05    0.406229E+03 -0.211962E-07 0.100000E-04    0.999509E+00
  21    0.564393E-05    0.398188E+03 -0.141740E-07 0.100000E-04    0.996637E+00
  22    0.723645E-06    0.388585E+03 -0.186225E-08 0.100000E-04    0.967742E+00
  23   -0.168335E-05    0.367048E+03  0.458618E-08 0.100000E-04    0.993425E+00
  24    0.179403E-05    0.363443E+03 -0.493621E-08 0.100000E-04    0.996969E+00
  25   -0.102880E-04    0.352225E+03  0.292087E-07 0.100000E-04    0.994293E+00
  26   -0.162244E-04    0.341590E+03  0.474966E-07 0.100000E-04    0.993864E+00
  27   -0.824919E-05    0.324414E+03  0.254280E-07 0.100000E-04    0.993990E+00
  28   -0.374173E-05    0.322076E+03  0.116175E-07 0.100000E-04    0.985129E+00
  29   -0.612141E-05    0.318317E+03  0.192306E-07 0.100000E-04    0.978224E+00
  30   -0.122885E-04    0.317147E+03  0.387469E-07 0.100000E-04    0.983649E+00
  31   -0.337480E-05    0.305222E+03  0.110568E-07 0.100000E-04    0.985515E+00
  32   -0.104448E-05    0.287464E+03  0.363342E-08 0.100000E-04    0.983356E+00
  33    0.540885E-05    0.279733E+03 -0.193357E-07 0.100000E-04    0.995441E+00
  34    0.271959E-05    0.271216E+03 -0.100274E-07 0.100000E-04    0.995612E+00
  35    0.156004E-04    0.265792E+03 -0.586939E-07 0.100000E-04    0.994036E+00
  36    0.379403E-05    0.262547E+03 -0.144508E-07 0.100000E-04    0.988241E+00
  37   -0.730977E-05    0.257886E+03  0.283450E-07 0.100000E-04    0.992677E+00
  38   -0.341058E-05    0.253478E+03  0.134551E-07 0.100000E-04    0.994282E+00
  39   -0.114223E-04    0.243420E+03  0.469242E-07 0.100000E-04    0.995504E+00
  40    0.709252E-05    0.238860E+03 -0.296932E-07 0.100000E-04    0.988641E+00
  41    0.883367E-05    0.234803E+03 -0.376215E-07 0.100000E-04    0.988182E+00
  42   -0.357733E-05    0.228621E+03  0.156474E-07 0.100000E-04    0.989916E+00
  43    0.311361E-05    0.223758E+03 -0.139151E-07 0.100000E-04    0.986009E+00
  44   -0.534882E-05    0.212697E+03  0.251477E-07 0.100000E-04    0.978637E+00
  45    0.372300E-05    0.211396E+03 -0.176115E-07 0.100000E-04    0.996821E+00
  46    0.802894E-05    0.209273E+03 -0.383658E-07 0.100000E-04    0.989282E+00
  47   -0.172767E-04    0.203041E+03  0.850897E-07 0.100000E-04    0.992883E+00
  48   -0.181303E-06    0.198345E+03  0.914077E-09 0.100000E-04    0.890843E+00
  49   -0.989868E-05    0.195474E+03  0.506394E-07 0.100000E-04    0.991121E+00
  50    0.651512E-05    0.191614E+03 -0.340012E-07 0.100000E-04    0.999214E+00
  51   -0.679279E-05    0.186049E+03  0.365108E-07 0.100000E-04    0.991331E+00
  52    0.207908E-06    0.177441E+03 -0.117171E-08 0.100000E-04    0.952806E+00
  53    0.662656E-05    0.170842E+03 -0.387876E-07 0.100000E-04    0.994350E+00
  54   -0.433452E-05    0.168010E+03  0.257992E-07 0.100000E-04    0.986480E+00
  55    0.129585E-04    0.165684E+03 -0.782123E-07 0.100000E-04    0.994418E+00
  56    0.448878E-05    0.160403E+03 -0.279843E-07 0.100000E-04    0.998632E+00
  57   -0.245263E-05    0.153531E+03  0.159748E-07 0.100000E-04    0.988665E+00
  58    0.106088E-04    0.151005E+03 -0.702548E-07 0.100000E-04    0.994148E+00
  59   -0.636788E-05    0.148902E+03  0.427656E-07 0.100000E-04    0.994150E+00
  60    0.112648E-04    0.142761E+03 -0.789068E-07 0.100000E-04    0.991974E+00
  61   -0.883026E-05    0.136931E+03  0.644867E-07 0.100000E-04    0.994368E+00
  62    0.235173E-04    0.134952E+03 -0.174264E-06 0.100000E-04    0.996228E+00
  63   -0.154293E-04    0.130958E+03  0.117818E-06 0.100000E-04    0.996913E+00
  64    0.474360E-05    0.127662E+03 -0.371574E-07 0.100000E-04    0.985921E+00
  65   -0.531220E-06    0.125893E+03  0.421963E-08 0.100000E-04    0.942177E+00
  66   -0.172329E-04    0.124921E+03  0.137951E-06 0.100000E-04    0.995607E+00
  67    0.143559E-05    0.119452E+03 -0.120182E-07 0.100000E-04    0.981500E+00
  68   -0.494449E-05    0.117946E+03  0.419218E-07 0.100000E-04    0.994045E+00
  69    0.669118E-06    0.116577E+03 -0.573972E-08 0.100000E-04    0.974799E+00
  70    0.986825E-05    0.112268E+03 -0.878993E-07 0.100000E-04    0.989060E+00
  71   -0.736806E-06    0.109738E+03  0.671422E-08 0.100000E-04    0.977833E+00
  72   -0.227318E-04    0.105373E+03  0.215728E-06 0.100000E-04    0.994593E+00
  73   -0.100956E-04    0.102854E+03  0.981545E-07 0.100000E-04    0.989506E+00
  74   -0.240233E-04    0.100290E+03  0.239537E-06 0.100000E-04    0.996891E+00
  75   -0.196516E-04    0.971172E+02  0.202350E-06 0.100000E-04    0.989508E+00
  76   -0.211167E-04    0.950867E+02  0.222078E-06 0.100000E-04    0.993967E+00
  77   -0.107669E-04    0.910038E+02  0.118312E-06 0.100000E-04    0.784617E+00
  78    0.389368E-04    0.909367E+02 -0.428174E-06 0.100000E-04    0.995372E+00
  79    0.317463E-04    0.887519E+02 -0.357697E-06 0.100000E-04    0.999321E+00
  80    0.105926E-04    0.845424E+02 -0.125293E-06 0.100000E-04    0.991553E+00
  81    0.115505E-04    0.808873E+02 -0.142798E-06 0.100000E-04    0.995072E+00
  82    0.151848E-04    0.792700E+02 -0.191558E-06 0.100000E-04    0.997934E+00
  83   -0.922114E-05    0.786008E+02  0.117316E-06 0.100000E-04    0.992373E+00
  84   -0.156241E-04    0.728849E+02  0.214367E-06 0.100000E-04    0.994222E+00
  85    0.266804E-04    0.714942E+02 -0.373182E-06 0.100000E-04    0.996312E+00
  86   -0.326549E-04    0.689350E+02  0.473706E-06 0.100000E-04    0.996779E+00
  87   -0.295786E-06    0.678235E+02  0.436111E-08 0.100000E-04    0.596939E+00
  88   -0.122263E-05    0.634281E+02  0.192758E-07 0.100000E-04    0.991110E+00
  89   -0.305333E-04    0.618801E+02  0.493427E-06 0.100000E-04    0.995298E+00
  90   -0.145376E-04    0.596539E+02  0.243698E-06 0.100000E-04    0.997958E+00
  91    0.809953E-08    0.587289E+02 -0.137914E-09 0.100000E-04    0.328971E+00
  92   -0.360944E-04    0.558454E+02  0.646327E-06 0.100000E-04    0.992663E+00
  93   -0.365926E-04    0.535060E+02  0.683896E-06 0.100000E-04    0.999236E+00
  94    0.214341E-04    0.522492E+02 -0.410228E-06 0.100000E-04    0.994759E+00
  95    0.336681E-04    0.502941E+02 -0.669423E-06 0.100000E-04    0.999684E+00
  96    0.993817E-05    0.479758E+02 -0.207149E-06 0.100000E-04    0.994324E+00
  97   -0.243243E-04    0.434212E+02  0.560194E-06 0.100000E-04    0.996715E+00
  98    0.175998E-04    0.399551E+02 -0.440489E-06 0.100000E-04    0.994287E+00
  99    0.461500E-04    0.371474E+02 -0.124235E-05 0.100000E-04    0.990702E+00
 100    0.301387E-04    0.361840E+02 -0.832929E-06 0.100000E-04    0.995388E+00
 101   -0.106903E-03    0.351313E+02  0.304296E-05 0.100000E-04    0.997018E+00
 102    0.520974E-04    0.291063E+02 -0.178990E-05 0.100000E-04    0.991932E+00
 103   -0.278652E-04    0.289031E+02  0.964089E-06 0.100000E-04    0.985593E+00
 104    0.428100E-04    0.287285E+02 -0.149016E-05 0.100000E-04    0.999885E+00
 105   -0.272790E-04    0.231916E+02  0.117625E-05 0.100000E-04    0.992823E+00
 106   -0.816451E-06    0.219338E+02  0.372234E-07 0.100000E-04    0.743285E+00
 107   -0.110141E-03    0.196456E+02  0.560643E-05 0.100000E-04    0.997205E+00
 108   -0.769858E-04    0.167452E+02  0.459748E-05 0.100000E-04    0.997357E+00
 109    0.718710E-04    0.138052E+02 -0.520608E-05 0.100000E-04    0.997889E+00
 110   -0.955525E-04    0.124448E+02  0.767809E-05 0.100000E-04    0.993672E+00
 111   -0.405278E-03    0.109903E+02  0.100000E-04 0.100000E-04    0.831941E+00
 112    0.106350E-04    0.950783E+01 -0.111855E-05 0.100000E-04    0.996610E+00
 113    0.702726E-02    0.760892E+01 -0.121957E-04 0.121957E-04    0.318751E+00
 114    0.326164E+00    0.479801E+01  0.400000E-03 0.400000E-03    0.199358E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6766768133E-01

 Beginning of optimization cycle  151.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3918231124
 potential> RMS force:                                               0.0307346362   |gradient|=.3281561156    
 Eigenvalues of the Hessian matrix:
   722.54243    671.45212    624.41435    604.04118    589.59600    565.12953 
   563.54621    478.98810    469.15013    462.82132    441.39863    431.19573 
   420.75535    406.24030    398.18379    388.58894    367.05036    363.43262 
   352.21616    341.55213    324.41972    322.06429    318.31854    317.14133 
   305.21908    287.46715    279.72883    271.21020    265.79382    262.55664 
   257.89134    253.47975    243.40888    238.84680    234.81518    228.62355 
   223.73857    212.69759    211.40114    209.26067    203.04388    198.34073 
   195.47576    191.61421    186.04052    177.42605    170.84608    168.00678 
   165.68216    160.39829    153.52913    151.00349    148.90741    142.76440 
   136.93183    134.95725    130.95675    127.66190    125.89576    124.92710 
   119.45274    117.94571    116.58006    112.26022    109.72829    105.36875 
   102.85512    100.28621     97.11392     95.08749     90.99912     90.94311 
    88.76327     84.54415     80.88751     79.27359     78.59865     72.88244 
    71.49748     68.92570     67.82567     63.42703     61.87168     59.65376 
    58.73184     55.84618     53.50266     52.24842     50.29361     47.97484 
    43.41680     39.95768     37.14221     36.18199     35.13875     29.09892 
    28.90052     28.72849     23.18719     21.93415     19.64791     16.74684 
    13.80436     12.44244     10.97843      9.50957      7.60888      4.79700 
overlap for current and previous eigenvector    109 is         0.9999980752
overlap for current and previous eigenvector    110 is         0.9999967840
overlap for current and previous eigenvector    111 is         0.9999940115
overlap for current and previous eigenvector    112 is         0.9999989903
overlap for current and previous eigenvector    113 is         0.9999990070
overlap for current and previous eigenvector    114 is         0.9999994651
J1,K1,R1,R2,RAT=   7   7   -0.3829426678E-01     2.038128222        0.9617057332    
FOB,PFOB,DIAG,PSTEP=   -0.3849786294E-06   -0.3707787501E-06     722.5424319        0.5132010512E-09
J1,K1,R1,R2,RAT=   8   8   -0.1429605720E-02     2.001384041        0.9985703943    
FOB,PFOB,DIAG,PSTEP=   -0.1472191505E-05   -0.1470089809E-05     671.4521236        0.2189468541E-08
J1,K1,R1,R2,RAT=   9   9    0.8060004309E-02     1.991881313        0.9918813126    
FOB,PFOB,DIAG,PSTEP=    0.7552045501E-06    0.7613411430E-06     624.4143523       -0.1219324123E-08
J1,K1,R1,R2,RAT=  10  10   -0.7803037713E-02     2.007768820        0.9921969623    
FOB,PFOB,DIAG,PSTEP=    0.1500163122E-05    0.1488547730E-05     604.0411820       -0.2464357136E-08
J1,K1,R1,R2,RAT=  11  11   -0.3732718210E-02     2.003744269        0.9962672818    
FOB,PFOB,DIAG,PSTEP=   -0.1019979959E-05   -0.1016186842E-05     589.5960001        0.1723520806E-08
J1,K1,R1,R2,RAT= 109 109   -0.1326504113E-02     2.001448174        0.9986734959    
FOB,PFOB,DIAG,PSTEP=    0.7196632380E-04    0.7187099244E-04     13.80435665       -0.5206082561E-05
J1,K1,R1,R2,RAT= 110 110   -0.1394910595E-01     2.014331343        0.9860508940    
FOB,PFOB,DIAG,PSTEP=   -0.9688513445E-04   -0.9555251696E-04     12.44244320        0.7678094810E-05
J1,K1,R1,R2,RAT= 111 111   -0.1686171400         7.551789909        0.8313828600    
FOB,PFOB,DIAG,PSTEP=   -0.4237896688E-03   -0.4052781573E-03     10.97842811        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.4785746880E-01     1.951777224        0.9517772243    
FOB,PFOB,DIAG,PSTEP=    0.1012595420E-04    0.1063501194E-04     9.509569071       -0.1118552769E-05
J1,K1,R1,R2,RAT= 113 113   -0.8687400337         152.3252313        0.1312599663    
FOB,PFOB,DIAG,PSTEP=    0.7107872248E-02    0.7027256893E-02     7.608883486       -0.1219570753E-04
J1,K1,R1,R2,RAT= 114 114    0.9979918302        -340.9646019        0.2008169849E-02
FOB,PFOB,DIAG,PSTEP=    0.3280787458        0.3261638000         4.796997563        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001      0.00000     -0.00000     -0.00001      0.00001      0.00001 
    -0.00001      0.00002     -0.00002      0.00000      0.00000      0.00002 
     0.00000     -0.00000      0.00000      0.00001     -0.00000     -0.00002 
    -0.00001     -0.00002     -0.00002     -0.00002      0.00001     -0.00004 
     0.00003      0.00001      0.00001      0.00002     -0.00001     -0.00002 
     0.00003     -0.00003     -0.00000     -0.00000     -0.00003     -0.00001 
    -0.00000     -0.00004     -0.00004      0.00002      0.00003      0.00001 
    -0.00002      0.00002      0.00005      0.00003     -0.00011      0.00005 
    -0.00003      0.00004     -0.00003      0.00000      0.00011     -0.00008 
     0.00007     -0.00010     -0.00042      0.00001      0.00711      0.32808 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386970629
 Log product of positive Hessian eigenvalues =          520.3440210011
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7969975628
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000022
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=       -0.0000000017
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000044
 Unscaled step for mode   17=       -0.0000000041
 Unscaled step for mode   18=       -0.0000000088
 Unscaled step for mode   19=       -0.0000000201
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000142
 Unscaled step for mode   22=       -0.0000000019
 Unscaled step for mode   23=        0.0000000046
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000294
 Unscaled step for mode   26=        0.0000000478
 Unscaled step for mode   27=        0.0000000255
 Unscaled step for mode   28=        0.0000000114
 Unscaled step for mode   29=        0.0000000187
 Unscaled step for mode   30=        0.0000000393
 Unscaled step for mode   31=        0.0000000111
 Unscaled step for mode   32=        0.0000000037
 Unscaled step for mode   33=       -0.0000000195
 Unscaled step for mode   34=       -0.0000000102
 Unscaled step for mode   35=       -0.0000000589
 Unscaled step for mode   36=       -0.0000000146
 Unscaled step for mode   37=        0.0000000285
 Unscaled step for mode   38=        0.0000000135
 Unscaled step for mode   39=        0.0000000472
 Unscaled step for mode   40=       -0.0000000300
 Unscaled step for mode   41=       -0.0000000381
 Unscaled step for mode   42=        0.0000000158
 Unscaled step for mode   43=       -0.0000000140
 Unscaled step for mode   44=        0.0000000254
 Unscaled step for mode   45=       -0.0000000177
 Unscaled step for mode   46=       -0.0000000386
 Unscaled step for mode   47=        0.0000000855
 Unscaled step for mode   48=        0.0000000008
 Unscaled step for mode   49=        0.0000000509
 Unscaled step for mode   50=       -0.0000000343
 Unscaled step for mode   51=        0.0000000367
 Unscaled step for mode   52=       -0.0000000012
 Unscaled step for mode   53=       -0.0000000389
 Unscaled step for mode   54=        0.0000000260
 Unscaled step for mode   55=       -0.0000000785
 Unscaled step for mode   56=       -0.0000000282
 Unscaled step for mode   57=        0.0000000161
 Unscaled step for mode   58=        0.0000000708
 Unscaled step for mode   59=       -0.0000000427
 Unscaled step for mode   60=       -0.0000000792
 Unscaled step for mode   61=        0.0000000651
 Unscaled step for mode   62=       -0.0000001751
 Unscaled step for mode   63=        0.0000001186
 Unscaled step for mode   64=       -0.0000000376
 Unscaled step for mode   65=       -0.0000000042
 Unscaled step for mode   66=       -0.0000001388
 Unscaled step for mode   67=       -0.0000000120
 Unscaled step for mode   68=        0.0000000422
 Unscaled step for mode   69=       -0.0000000060
 Unscaled step for mode   70=       -0.0000000884
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=        0.0000002176
 Unscaled step for mode   73=        0.0000000991
 Unscaled step for mode   74=        0.0000002408
 Unscaled step for mode   75=        0.0000002041
 Unscaled step for mode   76=        0.0000002233
 Unscaled step for mode   77=       -0.0000001467
 Unscaled step for mode   78=        0.0000004218
 Unscaled step for mode   79=       -0.0000003580
 Unscaled step for mode   80=       -0.0000001261
 Unscaled step for mode   81=       -0.0000001437
 Unscaled step for mode   82=       -0.0000001917
 Unscaled step for mode   83=        0.0000001174
 Unscaled step for mode   84=        0.0000002165
 Unscaled step for mode   85=       -0.0000003758
 Unscaled step for mode   86=        0.0000004755
 Unscaled step for mode   87=        0.0000000020
 Unscaled step for mode   88=        0.0000000201
 Unscaled step for mode   89=        0.0000004965
 Unscaled step for mode   90=        0.0000002460
 Unscaled step for mode   91=        0.0000000003
 Unscaled step for mode   92=        0.0000006499
 Unscaled step for mode   93=        0.0000006864
 Unscaled step for mode   94=       -0.0000004141
 Unscaled step for mode   95=       -0.0000006710
 Unscaled step for mode   96=       -0.0000002071
 Unscaled step for mode   97=        0.0000005645
 Unscaled step for mode   98=       -0.0000004431
 Unscaled step for mode   99=       -0.0000012613
 Unscaled step for mode  100=       -0.0000008295
 Unscaled step for mode  101=        0.0000030530
 Unscaled step for mode  102=       -0.0000018151
 Unscaled step for mode  103=        0.0000009488
 Unscaled step for mode  104=       -0.0000014979
 Unscaled step for mode  105=        0.0000011851
 Unscaled step for mode  106=       -0.0000000491
 Unscaled step for mode  107=       -0.0000056339
 Unscaled step for mode  108=        0.0000045713
 Unscaled step for mode  109=       -0.0000052133
 Unscaled step for mode  110=        0.0000077867
 Unscaled step for mode  111=        0.0000386020
 Unscaled step for mode  112=       -0.0000010648
 Unscaled step for mode  113=       -0.0009341536
 Unscaled step for mode  114=        0.0680755685
 Largest modulus ratio of non-zero e/values=           150.6238897    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.540583E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.554895E-15    0.100756E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.563268E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.534512E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.556413E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.599022E-16    0.973597E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.384979E-06    0.722542E+03  0.532811E-09 0.100000E-04    0.961706E+00
   8   -0.147219E-05    0.671452E+03  0.219255E-08 0.100000E-04    0.998570E+00
   9    0.755205E-06    0.624414E+03 -0.120946E-08 0.100000E-04    0.991881E+00
  10    0.150016E-05    0.604041E+03 -0.248354E-08 0.100000E-04    0.992197E+00
  11   -0.101998E-05    0.589596E+03  0.172996E-08 0.100000E-04    0.996267E+00
  12    0.319402E-05    0.565130E+03 -0.565184E-08 0.100000E-04    0.999390E+00
  13    0.982901E-06    0.563546E+03 -0.174414E-08 0.100000E-04    0.983497E+00
  14   -0.569520E-05    0.478988E+03  0.118901E-07 0.100000E-04    0.999310E+00
  15    0.177660E-05    0.469150E+03 -0.378685E-08 0.100000E-04    0.994954E+00
  16    0.203034E-05    0.462821E+03 -0.438687E-08 0.100000E-04    0.987240E+00
  17    0.181373E-05    0.441399E+03 -0.410906E-08 0.100000E-04    0.984280E+00
  18    0.379567E-05    0.431196E+03 -0.880265E-08 0.100000E-04    0.997694E+00
  19    0.846238E-05    0.420755E+03 -0.201123E-07 0.100000E-04    0.994086E+00
  20    0.863430E-05    0.406240E+03 -0.212542E-07 0.100000E-04    0.997238E+00
  21    0.567306E-05    0.398184E+03 -0.142473E-07 0.100000E-04    0.994839E+00
  22    0.752511E-06    0.388589E+03 -0.193652E-08 0.100000E-04    0.960110E+00
  23   -0.168017E-05    0.367050E+03  0.457749E-08 0.100000E-04    0.998098E+00
  24    0.178764E-05    0.363433E+03 -0.491876E-08 0.100000E-04    0.996437E+00
  25   -0.103423E-04    0.352216E+03  0.293635E-07 0.100000E-04    0.994725E+00
  26   -0.163289E-04    0.341552E+03  0.478079E-07 0.100000E-04    0.993559E+00
  27   -0.828810E-05    0.324420E+03  0.255475E-07 0.100000E-04    0.995283E+00
  28   -0.367666E-05    0.322064E+03  0.114159E-07 0.100000E-04    0.982607E+00
  29   -0.595022E-05    0.318319E+03  0.186927E-07 0.100000E-04    0.972023E+00
  30   -0.124696E-04    0.317141E+03  0.393187E-07 0.100000E-04    0.985262E+00
  31   -0.339963E-05    0.305219E+03  0.111383E-07 0.100000E-04    0.992641E+00
  32   -0.106957E-05    0.287467E+03  0.372065E-08 0.100000E-04    0.975981E+00
  33    0.544865E-05    0.279729E+03 -0.194783E-07 0.100000E-04    0.992642E+00
  34    0.275502E-05    0.271210E+03 -0.101582E-07 0.100000E-04    0.986971E+00
  35    0.156646E-04    0.265794E+03 -0.589351E-07 0.100000E-04    0.995884E+00
  36    0.384572E-05    0.262557E+03 -0.146472E-07 0.100000E-04    0.986376E+00
  37   -0.735896E-05    0.257891E+03  0.285351E-07 0.100000E-04    0.993272E+00
  38   -0.341263E-05    0.253480E+03  0.134631E-07 0.100000E-04    0.999399E+00
  39   -0.114857E-04    0.243409E+03  0.471868E-07 0.100000E-04    0.994449E+00
  40    0.715408E-05    0.238847E+03 -0.299526E-07 0.100000E-04    0.991320E+00
  41    0.893604E-05    0.234815E+03 -0.380556E-07 0.100000E-04    0.988412E+00
  42   -0.360361E-05    0.228624E+03  0.157622E-07 0.100000E-04    0.992652E+00
  43    0.313595E-05    0.223739E+03 -0.140161E-07 0.100000E-04    0.992826E+00
  44   -0.539414E-05    0.212698E+03  0.253606E-07 0.100000E-04    0.991527E+00
  45    0.373300E-05    0.211401E+03 -0.176584E-07 0.100000E-04    0.997313E+00
  46    0.807960E-05    0.209261E+03 -0.386102E-07 0.100000E-04    0.993689E+00
  47   -0.173607E-04    0.203044E+03  0.855021E-07 0.100000E-04    0.995138E+00
  48   -0.162639E-06    0.198341E+03  0.819996E-09 0.100000E-04    0.897054E+00
  49   -0.995843E-05    0.195476E+03  0.509446E-07 0.100000E-04    0.993965E+00
  50    0.657416E-05    0.191614E+03 -0.343094E-07 0.100000E-04    0.990937E+00
  51   -0.682272E-05    0.186041E+03  0.366733E-07 0.100000E-04    0.995594E+00
  52    0.204838E-06    0.177426E+03 -0.115450E-08 0.100000E-04    0.985234E+00
  53    0.665071E-05    0.170846E+03 -0.389281E-07 0.100000E-04    0.996354E+00
  54   -0.436972E-05    0.168007E+03  0.260092E-07 0.100000E-04    0.991878E+00
  55    0.130134E-04    0.165682E+03 -0.785446E-07 0.100000E-04    0.995759E+00
  56    0.451860E-05    0.160398E+03 -0.281711E-07 0.100000E-04    0.993356E+00
  57   -0.247098E-05    0.153529E+03  0.160945E-07 0.100000E-04    0.992520E+00
  58   -0.106858E-04    0.151003E+03  0.707652E-07 0.100000E-04    0.992741E+00
  59    0.636530E-05    0.148907E+03 -0.427467E-07 0.100000E-04    0.999522E+00
  60    0.113041E-04    0.142764E+03 -0.791799E-07 0.100000E-04    0.996514E+00
  61   -0.891214E-05    0.136932E+03  0.650845E-07 0.100000E-04    0.990727E+00
  62    0.236267E-04    0.134957E+03 -0.175068E-06 0.100000E-04    0.995348E+00
  63   -0.155308E-04    0.130957E+03  0.118595E-06 0.100000E-04    0.993420E+00
  64    0.479934E-05    0.127662E+03 -0.375941E-07 0.100000E-04    0.988248E+00
  65    0.525251E-06    0.125896E+03 -0.417211E-08 0.100000E-04    0.988715E+00
  66    0.173406E-04    0.124927E+03 -0.138806E-06 0.100000E-04    0.993751E+00
  67    0.142940E-05    0.119453E+03 -0.119663E-07 0.100000E-04    0.995675E+00
  68   -0.498054E-05    0.117946E+03  0.422274E-07 0.100000E-04    0.992708E+00
  69    0.703376E-06    0.116580E+03 -0.603341E-08 0.100000E-04    0.948803E+00
  70    0.992830E-05    0.112260E+03 -0.884401E-07 0.100000E-04    0.993914E+00
  71   -0.759767E-06    0.109728E+03  0.692407E-08 0.100000E-04    0.968835E+00
  72   -0.229251E-04    0.105369E+03  0.217570E-06 0.100000E-04    0.991500E+00
  73   -0.101887E-04    0.102855E+03  0.990592E-07 0.100000E-04    0.990773E+00
  74   -0.241478E-04    0.100286E+03  0.240789E-06 0.100000E-04    0.994817E+00
  75   -0.198181E-04    0.971139E+02  0.204070E-06 0.100000E-04    0.991530E+00
  76   -0.212291E-04    0.950875E+02  0.223258E-06 0.100000E-04    0.994678E+00
  77    0.133510E-04    0.909991E+02 -0.146716E-06 0.100000E-04    0.759975E+00
  78   -0.383582E-04    0.909431E+02  0.421782E-06 0.100000E-04    0.985001E+00
  79    0.317791E-04    0.887633E+02 -0.358021E-06 0.100000E-04    0.998966E+00
  80    0.106646E-04    0.845442E+02 -0.126142E-06 0.100000E-04    0.993205E+00
  81    0.116226E-04    0.808875E+02 -0.143688E-06 0.100000E-04    0.993761E+00
  82    0.151951E-04    0.792736E+02 -0.191679E-06 0.100000E-04    0.999320E+00
  83   -0.922458E-05    0.785986E+02  0.117363E-06 0.100000E-04    0.999627E+00
  84   -0.157791E-04    0.728824E+02  0.216500E-06 0.100000E-04    0.990081E+00
  85    0.268659E-04    0.714975E+02 -0.375760E-06 0.100000E-04    0.993047E+00
  86   -0.327772E-04    0.689257E+02  0.475544E-06 0.100000E-04    0.996255E+00
  87   -0.136992E-06    0.678257E+02  0.201977E-08 0.100000E-04    0.463099E+00
  88   -0.127621E-05    0.634270E+02  0.201209E-07 0.100000E-04    0.956173E+00
  89   -0.307207E-04    0.618717E+02  0.496523E-06 0.100000E-04    0.993863E+00
  90   -0.146770E-04    0.596538E+02  0.246036E-06 0.100000E-04    0.990411E+00
  91   -0.156190E-07    0.587318E+02  0.265937E-09 0.109000E-04    0.716627E-01
  92   -0.362968E-04    0.558462E+02  0.649943E-06 0.100000E-04    0.994391E+00
  93   -0.367217E-04    0.535027E+02  0.686353E-06 0.100000E-04    0.996470E+00
  94    0.216344E-04    0.522484E+02 -0.414068E-06 0.100000E-04    0.990654E+00
  95    0.337492E-04    0.502936E+02 -0.671044E-06 0.100000E-04    0.997590E+00
  96    0.993433E-05    0.479748E+02 -0.207074E-06 0.100000E-04    0.999614E+00
  97   -0.245068E-04    0.434168E+02  0.564454E-06 0.100000E-04    0.992497E+00
  98    0.177062E-04    0.399577E+02 -0.443125E-06 0.100000E-04    0.993951E+00
  99    0.468475E-04    0.371422E+02 -0.126130E-05 0.100000E-04    0.984884E+00
 100    0.300146E-04    0.361820E+02 -0.829546E-06 0.100000E-04    0.995883E+00
 101   -0.107277E-03    0.351388E+02  0.305295E-05 0.100000E-04    0.996504E+00
 102    0.528183E-04    0.290989E+02 -0.181513E-05 0.100000E-04    0.986160E+00
 103   -0.274207E-04    0.289005E+02  0.948796E-06 0.100000E-04    0.984047E+00
 104    0.430335E-04    0.287285E+02 -0.149794E-05 0.100000E-04    0.994779E+00
 105   -0.274789E-04    0.231872E+02  0.118509E-05 0.100000E-04    0.992673E+00
 106    0.107608E-05    0.219341E+02 -0.490597E-07 0.100000E-04    0.682003E+00
 107    0.110694E-03    0.196479E+02 -0.563387E-05 0.100000E-04    0.994986E+00
 108   -0.765551E-04    0.167468E+02  0.457132E-05 0.100000E-04    0.994214E+00
 109    0.719663E-04    0.138044E+02 -0.521331E-05 0.100000E-04    0.998673E+00
 110   -0.968851E-04    0.124424E+02  0.778666E-05 0.100000E-04    0.986051E+00
 111   -0.423790E-03    0.109784E+02  0.100000E-04 0.100000E-04    0.831383E+00
 112    0.101260E-04    0.950957E+01 -0.106482E-05 0.100000E-04    0.951777E+00
 113    0.710787E-02    0.760888E+01 -0.132933E-04 0.132933E-04    0.131260E+00
 114    0.328079E+00    0.479700E+01  0.400000E-03 0.400000E-03    0.200817E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6807556846E-01

 Beginning of optimization cycle  152.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3916915962
 potential> RMS force:                                               0.0309140532   |gradient|=.3300717655    
 Eigenvalues of the Hessian matrix:
   722.60238    671.46728    624.43256    604.05152    589.59243    565.15052 
   563.58387    479.00634    469.12736    462.81096    441.39690    431.18606 
   420.76307    406.25119    398.17992    388.59247    367.05300    363.42246 
   352.20760    341.51398    324.42585    322.05266    318.32110    317.13441 
   305.21568    287.47071    279.72420    271.20448    265.79549    262.56608 
   257.89695    253.48185    243.39818    238.83385    234.82693    228.62561 
   223.71953    212.69876    211.40640    209.24797    203.04689    198.33653 
   195.47748    191.61404    186.03232    177.41158    170.85000    168.00365 
   165.68076    160.39334    153.52701    151.00242    148.91279    142.76794 
   136.93223    134.96251    130.95544    127.66164    125.89887    124.93341 
   119.45365    117.94584    116.58342    112.25277    109.71832    105.36497 
   102.85612    100.28203     97.11054     95.08827     90.99522     90.94883 
    88.77462     84.54591     80.88772     79.27719     78.59649     72.87996 
    71.50072     68.91641     67.82775     63.42603     61.86321     59.65365 
    58.73471     55.84699     53.49926     52.24766     50.29307     47.97381 
    43.41240     39.96027     37.13714     36.17979     35.14620     29.09169 
    28.89781     28.72843     23.18287     21.93450     19.65027     16.74843 
    13.80353     12.44010     10.96651      9.51131      7.60882      4.79595 
overlap for current and previous eigenvector    109 is         0.9999980977
overlap for current and previous eigenvector    110 is         0.9999968566
overlap for current and previous eigenvector    111 is         0.9999940694
overlap for current and previous eigenvector    112 is         0.9999989584
overlap for current and previous eigenvector    113 is        -0.9999989987
overlap for current and previous eigenvector    114 is        -0.9999994683
J1,K1,R1,R2,RAT=   7   7   -0.2877048448E-01     2.028604561        0.9712295155    
FOB,PFOB,DIAG,PSTEP=   -0.3960555700E-06   -0.3849786294E-06     722.6023803        0.5328111020E-09
J1,K1,R1,R2,RAT=   8   8   -0.1829374114E-01     2.018248583        0.9817062589    
FOB,PFOB,DIAG,PSTEP=   -0.1499124004E-05   -0.1472191505E-05     671.4672846        0.2192548737E-08
J1,K1,R1,R2,RAT=   9   9   -0.9659202442E-02     2.009600899        0.9903407976    
FOB,PFOB,DIAG,PSTEP=    0.7624994363E-06    0.7552045501E-06     624.4325555       -0.1209460589E-08
J1,K1,R1,R2,RAT=  10  10    0.3349988765E-02     1.996615787        0.9966157868    
FOB,PFOB,DIAG,PSTEP=    0.1495137507E-05    0.1500163122E-05     604.0515186       -0.2483544445E-08
J1,K1,R1,R2,RAT=  11  11    0.2474822672E-03     1.999764640        0.9997525177    
FOB,PFOB,DIAG,PSTEP=   -0.1019727534E-05   -0.1019979959E-05     589.5924264        0.1729964178E-08
J1,K1,R1,R2,RAT= 109 109   -0.1944916061E-02     2.002065234        0.9980550839    
FOB,PFOB,DIAG,PSTEP=    0.7210628384E-04    0.7196632380E-04     13.80352625       -0.5213305163E-05
J1,K1,R1,R2,RAT= 110 110   -0.6529119653E-02     2.006906251        0.9934708803    
FOB,PFOB,DIAG,PSTEP=   -0.9751758983E-04   -0.9688513445E-04     12.44009743        0.7786664795E-05
J1,K1,R1,R2,RAT= 111 111   -0.1773643266         7.906158627        0.8226356734    
FOB,PFOB,DIAG,PSTEP=   -0.4432403531E-03   -0.4237896688E-03     10.96651437        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.2645846875E-02     1.996988904        0.9969889038    
FOB,PFOB,DIAG,PSTEP=    0.1009915759E-04    0.1012595420E-04     9.511306070       -0.1064817357E-05
J1,K1,R1,R2,RAT= 113 113     141.2595711       -0.7134108627        0.2865891373    
FOB,PFOB,DIAG,PSTEP=   -0.7180031221E-02    0.7107872248E-02     7.608816765       -0.1329332120E-04
J1,K1,R1,R2,RAT= 114 114    -343.0352970        0.9979830818        0.2016918206E-02
FOB,PFOB,DIAG,PSTEP=   -0.3299932564        0.3280787458         4.795949630        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000      0.00000      0.00001      0.00001     -0.00001 
    -0.00001      0.00002      0.00002     -0.00000     -0.00000      0.00002 
     0.00000      0.00001      0.00000      0.00001      0.00000     -0.00002 
     0.00001     -0.00002      0.00002      0.00002     -0.00002     -0.00004 
    -0.00003     -0.00001     -0.00001     -0.00002      0.00001      0.00002 
    -0.00003     -0.00003      0.00000     -0.00000      0.00003     -0.00001 
    -0.00000     -0.00004     -0.00004      0.00002     -0.00003      0.00001 
     0.00002     -0.00002     -0.00005     -0.00003      0.00011      0.00005 
     0.00003      0.00004      0.00003     -0.00000     -0.00011     -0.00008 
     0.00007     -0.00010     -0.00044      0.00001     -0.00718     -0.32999 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387087873
 Log product of positive Hessian eigenvalues =          520.3419158368
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7959496297
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000022
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=       -0.0000000017
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000044
 Unscaled step for mode   17=       -0.0000000041
 Unscaled step for mode   18=       -0.0000000088
 Unscaled step for mode   19=       -0.0000000202
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000143
 Unscaled step for mode   22=       -0.0000000020
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000295
 Unscaled step for mode   26=        0.0000000481
 Unscaled step for mode   27=        0.0000000257
 Unscaled step for mode   28=        0.0000000112
 Unscaled step for mode   29=        0.0000000182
 Unscaled step for mode   30=        0.0000000399
 Unscaled step for mode   31=        0.0000000113
 Unscaled step for mode   32=        0.0000000038
 Unscaled step for mode   33=       -0.0000000196
 Unscaled step for mode   34=       -0.0000000102
 Unscaled step for mode   35=       -0.0000000593
 Unscaled step for mode   36=       -0.0000000148
 Unscaled step for mode   37=        0.0000000287
 Unscaled step for mode   38=        0.0000000135
 Unscaled step for mode   39=        0.0000000474
 Unscaled step for mode   40=       -0.0000000303
 Unscaled step for mode   41=       -0.0000000385
 Unscaled step for mode   42=        0.0000000159
 Unscaled step for mode   43=       -0.0000000142
 Unscaled step for mode   44=        0.0000000259
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000390
 Unscaled step for mode   47=        0.0000000861
 Unscaled step for mode   48=        0.0000000007
 Unscaled step for mode   49=        0.0000000514
 Unscaled step for mode   50=       -0.0000000343
 Unscaled step for mode   51=        0.0000000370
 Unscaled step for mode   52=       -0.0000000011
 Unscaled step for mode   53=       -0.0000000391
 Unscaled step for mode   54=        0.0000000264
 Unscaled step for mode   55=        0.0000000790
 Unscaled step for mode   56=       -0.0000000282
 Unscaled step for mode   57=       -0.0000000163
 Unscaled step for mode   58=       -0.0000000712
 Unscaled step for mode   59=       -0.0000000430
 Unscaled step for mode   60=        0.0000000798
 Unscaled step for mode   61=        0.0000000655
 Unscaled step for mode   62=       -0.0000001757
 Unscaled step for mode   63=       -0.0000001190
 Unscaled step for mode   64=        0.0000000381
 Unscaled step for mode   65=        0.0000000039
 Unscaled step for mode   66=       -0.0000001394
 Unscaled step for mode   67=       -0.0000000122
 Unscaled step for mode   68=       -0.0000000425
 Unscaled step for mode   69=       -0.0000000062
 Unscaled step for mode   70=       -0.0000000894
 Unscaled step for mode   71=       -0.0000000071
 Unscaled step for mode   72=        0.0000002188
 Unscaled step for mode   73=       -0.0000001001
 Unscaled step for mode   74=        0.0000002415
 Unscaled step for mode   75=       -0.0000002062
 Unscaled step for mode   76=       -0.0000002246
 Unscaled step for mode   77=        0.0000001879
 Unscaled step for mode   78=        0.0000004087
 Unscaled step for mode   79=        0.0000003577
 Unscaled step for mode   80=        0.0000001272
 Unscaled step for mode   81=        0.0000001444
 Unscaled step for mode   82=        0.0000001913
 Unscaled step for mode   83=       -0.0000001183
 Unscaled step for mode   84=       -0.0000002178
 Unscaled step for mode   85=        0.0000003771
 Unscaled step for mode   86=        0.0000004771
 Unscaled step for mode   87=       -0.0000000011
 Unscaled step for mode   88=        0.0000000199
 Unscaled step for mode   89=       -0.0000004990
 Unscaled step for mode   90=        0.0000002466
 Unscaled step for mode   91=        0.0000000005
 Unscaled step for mode   92=        0.0000006546
 Unscaled step for mode   93=        0.0000006868
 Unscaled step for mode   94=       -0.0000004162
 Unscaled step for mode   95=        0.0000006712
 Unscaled step for mode   96=       -0.0000002082
 Unscaled step for mode   97=       -0.0000005665
 Unscaled step for mode   98=        0.0000004456
 Unscaled step for mode   99=        0.0000012733
 Unscaled step for mode  100=        0.0000008251
 Unscaled step for mode  101=       -0.0000030612
 Unscaled step for mode  102=       -0.0000018307
 Unscaled step for mode  103=       -0.0000009326
 Unscaled step for mode  104=       -0.0000014977
 Unscaled step for mode  105=       -0.0000011943
 Unscaled step for mode  106=        0.0000000362
 Unscaled step for mode  107=        0.0000056487
 Unscaled step for mode  108=        0.0000045582
 Unscaled step for mode  109=       -0.0000052238
 Unscaled step for mode  110=        0.0000078390
 Unscaled step for mode  111=        0.0000404176
 Unscaled step for mode  112=       -0.0000010618
 Unscaled step for mode  113=        0.0009436454
 Unscaled step for mode  114=       -0.0684839493
 Largest modulus ratio of non-zero e/values=           150.6693014    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.456449E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.619730E-15    0.100756E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.619296E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.223345E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.312142E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.321276E-15    0.973599E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.396056E-06    0.722602E+03  0.548096E-09 0.100000E-04    0.971230E+00
   8   -0.149912E-05    0.671467E+03  0.223261E-08 0.100000E-04    0.981706E+00
   9    0.762499E-06    0.624433E+03 -0.122111E-08 0.100000E-04    0.990341E+00
  10    0.149514E-05    0.604052E+03 -0.247518E-08 0.100000E-04    0.996616E+00
  11   -0.101973E-05    0.589592E+03  0.172955E-08 0.100000E-04    0.999753E+00
  12    0.320567E-05    0.565151E+03 -0.567224E-08 0.100000E-04    0.996353E+00
  13    0.941121E-06    0.563584E+03 -0.166989E-08 0.100000E-04    0.957363E+00
  14   -0.568932E-05    0.479006E+03  0.118773E-07 0.100000E-04    0.998891E+00
  15    0.178776E-05    0.469127E+03 -0.381082E-08 0.100000E-04    0.993719E+00
  16    0.204344E-05    0.462811E+03 -0.441528E-08 0.100000E-04    0.993547E+00
  17    0.181997E-05    0.441397E+03 -0.412320E-08 0.100000E-04    0.996563E+00
  18    0.381328E-05    0.431186E+03 -0.884370E-08 0.100000E-04    0.995359E+00
  19    0.850299E-05    0.420763E+03 -0.202085E-07 0.100000E-04    0.995202E+00
  20    0.863846E-05    0.406251E+03 -0.212638E-07 0.100000E-04    0.999518E+00
  21    0.569248E-05    0.398180E+03 -0.142962E-07 0.100000E-04    0.996577E+00
  22    0.774800E-06    0.388592E+03 -0.199386E-08 0.100000E-04    0.970382E+00
  23   -0.166902E-05    0.367053E+03  0.454707E-08 0.100000E-04    0.993348E+00
  24    0.178282E-05    0.363422E+03 -0.490563E-08 0.100000E-04    0.997302E+00
  25   -0.104003E-04    0.352208E+03  0.295288E-07 0.100000E-04    0.994393E+00
  26   -0.164288E-04    0.341514E+03  0.481059E-07 0.100000E-04    0.993878E+00
  27   -0.833784E-05    0.324426E+03  0.257003E-07 0.100000E-04    0.993999E+00
  28   -0.361694E-05    0.322053E+03  0.112309E-07 0.100000E-04    0.983757E+00
  29   -0.580783E-05    0.318321E+03  0.182452E-07 0.100000E-04    0.976054E+00
  30   -0.126622E-04    0.317134E+03  0.399269E-07 0.100000E-04    0.984551E+00
  31   -0.344867E-05    0.305216E+03  0.112991E-07 0.100000E-04    0.985575E+00
  32   -0.108706E-05    0.287471E+03  0.378145E-08 0.100000E-04    0.983646E+00
  33    0.547334E-05    0.279724E+03 -0.195669E-07 0.100000E-04    0.995469E+00
  34    0.276866E-05    0.271204E+03 -0.102087E-07 0.100000E-04    0.995049E+00
  35    0.157552E-04    0.265795E+03 -0.592758E-07 0.100000E-04    0.994214E+00
  36    0.389087E-05    0.262566E+03 -0.148186E-07 0.100000E-04    0.988260E+00
  37   -0.741311E-05    0.257897E+03  0.287445E-07 0.100000E-04    0.992641E+00
  38   -0.343200E-05    0.253482E+03  0.135394E-07 0.100000E-04    0.994324E+00
  39   -0.115367E-04    0.243398E+03  0.473983E-07 0.100000E-04    0.995561E+00
  40    0.723266E-05    0.238834E+03 -0.302832E-07 0.100000E-04    0.989015E+00
  41    0.904057E-05    0.234827E+03 -0.384989E-07 0.100000E-04    0.988303E+00
  42   -0.363765E-05    0.228626E+03  0.159109E-07 0.100000E-04    0.990556E+00
  43    0.317853E-05    0.223720E+03 -0.142077E-07 0.100000E-04    0.986420E+00
  44   -0.550570E-05    0.212699E+03  0.258850E-07 0.100000E-04    0.979319E+00
  45    0.372015E-05    0.211406E+03 -0.175972E-07 0.100000E-04    0.996509E+00
  46    0.816468E-05    0.209248E+03 -0.390192E-07 0.100000E-04    0.989470E+00
  47   -0.174830E-04    0.203047E+03  0.861031E-07 0.100000E-04    0.992956E+00
  48   -0.140023E-06    0.198337E+03  0.705989E-09 0.100000E-04    0.860945E+00
  49   -0.100464E-04    0.195477E+03  0.513940E-07 0.100000E-04    0.991169E+00
  50    0.658030E-05    0.191614E+03 -0.343414E-07 0.100000E-04    0.999067E+00
  51   -0.688122E-05    0.186032E+03  0.369894E-07 0.100000E-04    0.991425E+00
  52    0.194825E-06    0.177412E+03 -0.109815E-08 0.100000E-04    0.951110E+00
  53    0.668871E-05    0.170850E+03 -0.391496E-07 0.100000E-04    0.994288E+00
  54   -0.442821E-05    0.168004E+03  0.263578E-07 0.100000E-04    0.986616E+00
  55   -0.130843E-04    0.165681E+03  0.789727E-07 0.100000E-04    0.994559E+00
  56    0.452456E-05    0.160393E+03 -0.282091E-07 0.100000E-04    0.998681E+00
  57    0.249905E-05    0.153527E+03 -0.162776E-07 0.100000E-04    0.988641E+00
  58    0.107477E-04    0.151002E+03 -0.711759E-07 0.100000E-04    0.994204E+00
  59    0.640188E-05    0.148913E+03 -0.429908E-07 0.100000E-04    0.994253E+00
  60   -0.113947E-04    0.142768E+03  0.798130E-07 0.100000E-04    0.991980E+00
  61   -0.896342E-05    0.136932E+03  0.654588E-07 0.100000E-04    0.994246E+00
  62    0.237138E-04    0.134963E+03 -0.175707E-06 0.100000E-04    0.996312E+00
  63    0.155792E-04    0.130955E+03 -0.118965E-06 0.100000E-04    0.996885E+00
  64   -0.486793E-05    0.127662E+03  0.381315E-07 0.100000E-04    0.985709E+00
  65   -0.492799E-06    0.125899E+03  0.391424E-08 0.100000E-04    0.938167E+00
  66    0.174149E-04    0.124933E+03 -0.139393E-06 0.100000E-04    0.995718E+00
  67    0.145494E-05    0.119454E+03 -0.121799E-07 0.100000E-04    0.982138E+00
  68    0.500917E-05    0.117946E+03 -0.424701E-07 0.100000E-04    0.994251E+00
  69    0.720111E-06    0.116583E+03 -0.617679E-08 0.100000E-04    0.976208E+00
  70    0.100342E-04    0.112253E+03 -0.893891E-07 0.100000E-04    0.989336E+00
  71    0.775962E-06    0.109718E+03 -0.707231E-08 0.100000E-04    0.978682E+00
  72   -0.230493E-04    0.105365E+03  0.218756E-06 0.100000E-04    0.994582E+00
  73    0.102932E-04    0.102856E+03 -0.100074E-06 0.100000E-04    0.989746E+00
  74   -0.242216E-04    0.100282E+03  0.241535E-06 0.100000E-04    0.996943E+00
  75    0.200251E-04    0.971105E+02 -0.206209E-06 0.100000E-04    0.989553E+00
  76    0.213546E-04    0.950883E+02 -0.224577E-06 0.100000E-04    0.994085E+00
  77   -0.170952E-04    0.909952E+02  0.187870E-06 0.100000E-04    0.719544E+00
  78   -0.371678E-04    0.909488E+02  0.408667E-06 0.100000E-04    0.968843E+00
  79   -0.317583E-04    0.887746E+02  0.357740E-06 0.100000E-04    0.999088E+00
  80   -0.107536E-04    0.845459E+02  0.127192E-06 0.100000E-04    0.991651E+00
  81   -0.116786E-04    0.808877E+02  0.144380E-06 0.100000E-04    0.995182E+00
  82   -0.151618E-04    0.792772E+02  0.191251E-06 0.100000E-04    0.997718E+00
  83    0.929576E-05    0.785965E+02 -0.118272E-06 0.100000E-04    0.992284E+00
  84    0.158699E-04    0.728800E+02 -0.217754E-06 0.100000E-04    0.994242E+00
  85   -0.269636E-04    0.715007E+02  0.377109E-06 0.100000E-04    0.996363E+00
  86   -0.328786E-04    0.689164E+02  0.477080E-06 0.100000E-04    0.996906E+00
  87    0.729208E-07    0.678278E+02 -0.107509E-08 0.100000E-04    0.532253E+00
  88   -0.126459E-05    0.634260E+02  0.199380E-07 0.100000E-04    0.990892E+00
  89    0.308692E-04    0.618632E+02 -0.498991E-06 0.100000E-04    0.995166E+00
  90   -0.147106E-04    0.596537E+02  0.246599E-06 0.100000E-04    0.997710E+00
  91   -0.303600E-07    0.587347E+02  0.516901E-09 0.118810E-04    0.562575E-01
  92   -0.365558E-04    0.558470E+02  0.654570E-06 0.100000E-04    0.992866E+00
  93   -0.367455E-04    0.534993E+02  0.686841E-06 0.100000E-04    0.999353E+00
  94    0.217431E-04    0.522477E+02 -0.416155E-06 0.100000E-04    0.994975E+00
  95   -0.337546E-04    0.502931E+02  0.671158E-06 0.100000E-04    0.999840E+00
  96    0.999002E-05    0.479738E+02 -0.208239E-06 0.100000E-04    0.994394E+00
  97    0.245925E-04    0.434124E+02 -0.566486E-06 0.100000E-04    0.996501E+00
  98   -0.178065E-04    0.399603E+02  0.445605E-06 0.100000E-04    0.994339E+00
  99   -0.472850E-04    0.371371E+02  0.127325E-05 0.100000E-04    0.990659E+00
 100   -0.298525E-04    0.361798E+02  0.825116E-06 0.100000E-04    0.994599E+00
 101    0.107588E-03    0.351462E+02 -0.306116E-05 0.100000E-04    0.997099E+00
 102    0.532573E-04    0.290917E+02 -0.183067E-05 0.100000E-04    0.991686E+00
 103    0.269498E-04    0.288978E+02 -0.932589E-06 0.100000E-04    0.982826E+00
 104    0.430274E-04    0.287284E+02 -0.149773E-05 0.100000E-04    0.999859E+00
 105    0.276875E-04    0.231829E+02 -0.119431E-05 0.100000E-04    0.992407E+00
 106   -0.794880E-06    0.219345E+02  0.362388E-07 0.100000E-04    0.738651E+00
 107   -0.110998E-03    0.196503E+02  0.564867E-05 0.100000E-04    0.997253E+00
 108   -0.763435E-04    0.167484E+02  0.455825E-05 0.100000E-04    0.997046E+00
 109    0.721063E-04    0.138035E+02 -0.522376E-05 0.100000E-04    0.998055E+00
 110   -0.975176E-04    0.124401E+02  0.783897E-05 0.100000E-04    0.993471E+00
 111   -0.443240E-03    0.109665E+02  0.100000E-04 0.100000E-04    0.822636E+00
 112    0.100992E-04    0.951131E+01 -0.106181E-05 0.100000E-04    0.996989E+00
 113   -0.718003E-02    0.760882E+01  0.119760E-04 0.119760E-04    0.286589E+00
 114   -0.329993E+00    0.479595E+01 -0.400000E-03 0.400000E-03    0.201692E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6848394926E-01

 Beginning of optimization cycle  153.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3915593061
 potential> RMS force:                                               0.0310934489   |gradient|=.3319871872    
 Eigenvalues of the Hessian matrix:
   722.66240    671.48250    624.45074    604.06160    589.58890    565.17148 
   563.62145    479.02465    469.10461    462.80058    441.39517    431.17631 
   420.77072    406.26205    398.17602    388.59597    367.05562    363.41233 
   352.19897    341.47581    324.43194    322.04128    318.32429    317.12662 
   305.21221    287.47430    279.71954    271.19873    265.79718    262.57548 
   257.90249    253.48395    243.38750    238.82080    234.83863    228.62763 
   223.70047    212.69998    211.41160    209.23524    203.04989    198.33231 
   195.47916    191.61390    186.02407    177.39714    170.85397    168.00046 
   165.67934    160.38839    153.52494    151.00134    148.91817    142.77148 
   136.93262    134.96774    130.95416    127.66138    125.90196    124.93969 
   119.45457    117.94599    116.58679    112.24534    109.70836    105.36122 
   102.85713    100.27786     97.10712     95.08907     90.99256     90.95332 
    88.78594     84.54766     80.88792     79.28078     78.59434     72.87750 
    71.50402     68.90716     67.82984     63.42505     61.85475     59.65355 
    58.73761     55.84784     53.49587     52.24693     50.29253     47.97280 
    43.40801     39.96288     37.13218     36.17759     35.15368     29.08459 
    28.89502     28.72834     23.17854     21.93482     19.65270     16.75000 
    13.80271     12.43777     10.95459      9.51303      7.60875      4.79488 
overlap for current and previous eigenvector    109 is         0.9999981253
overlap for current and previous eigenvector    110 is         0.9999969208
overlap for current and previous eigenvector    111 is         0.9999941321
overlap for current and previous eigenvector    112 is         0.9999989300
overlap for current and previous eigenvector    113 is        -0.9999989886
overlap for current and previous eigenvector    114 is         0.9999994711
J1,K1,R1,R2,RAT=   7   7   -0.3637757580E-01     2.036211472        0.9636224242    
FOB,PFOB,DIAG,PSTEP=   -0.4104643082E-06   -0.3960555700E-06     722.6623988        0.5480961326E-09
J1,K1,R1,R2,RAT=   8   8   -0.1572617810E-02     2.001527284        0.9984273822    
FOB,PFOB,DIAG,PSTEP=   -0.1501481606E-05   -0.1499124004E-05     671.4825050        0.2232609150E-08
J1,K1,R1,R2,RAT=   9   9    0.7880294336E-02     1.992061467        0.9920614668    
FOB,PFOB,DIAG,PSTEP=    0.7564905414E-06    0.7624994363E-06     624.4507392       -0.1221107755E-08
J1,K1,R1,R2,RAT=  10  10   -0.7722780429E-02     2.007689395        0.9922772196    
FOB,PFOB,DIAG,PSTEP=    0.1506684318E-05    0.1495137507E-05     604.0616020       -0.2475182101E-08
J1,K1,R1,R2,RAT=  11  11   -0.3721149573E-02     2.003733110        0.9962788504    
FOB,PFOB,DIAG,PSTEP=   -0.1023522070E-05   -0.1019727534E-05     589.5889004        0.1729546528E-08
J1,K1,R1,R2,RAT= 109 109   -0.1254930103E-02     2.001372857        0.9987450699    
FOB,PFOB,DIAG,PSTEP=    0.7219676685E-04    0.7210628384E-04     13.80271239       -0.5223758230E-05
J1,K1,R1,R2,RAT= 110 110   -0.1363187006E-01     2.014006312        0.9863681299    
FOB,PFOB,DIAG,PSTEP=   -0.9884668811E-04   -0.9751758983E-04     12.43776882        0.7838973157E-05
J1,K1,R1,R2,RAT= 111 111   -0.1777732614         8.270095540        0.8222267386    
FOB,PFOB,DIAG,PSTEP=   -0.4627146846E-03   -0.4432403531E-03     10.95458974        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.4991801261E-01     1.949719187        0.9497191868    
FOB,PFOB,DIAG,PSTEP=    0.9594936245E-05    0.1009915759E-04     9.513031736       -0.1061805551E-05
J1,K1,R1,R2,RAT= 113 113     158.4954570       -0.9040810708        0.9591892918E-01
FOB,PFOB,DIAG,PSTEP=    0.7262413017E-02   -0.7180031221E-02     7.608750810        0.1197596505E-04
J1,K1,R1,R2,RAT= 114 114    0.9979684594        -345.1081475        0.2031540627E-02
FOB,PFOB,DIAG,PSTEP=   -0.3319073112       -0.3299932564         4.794877870       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000      0.00000      0.00001      0.00001      0.00001 
     0.00001     -0.00002     -0.00002      0.00000      0.00000     -0.00002 
    -0.00000     -0.00001     -0.00000     -0.00001     -0.00000     -0.00002 
    -0.00001      0.00002      0.00002      0.00002     -0.00002     -0.00003 
    -0.00003     -0.00001     -0.00001      0.00002      0.00001      0.00002 
    -0.00003     -0.00003     -0.00000      0.00000      0.00003      0.00001 
    -0.00000     -0.00004     -0.00004      0.00002      0.00003     -0.00001 
    -0.00002     -0.00002      0.00005     -0.00003     -0.00011     -0.00005 
    -0.00003     -0.00004     -0.00003      0.00000     -0.00011     -0.00008 
     0.00007     -0.00010     -0.00046      0.00001      0.00726     -0.33191 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387166668
 Log product of positive Hessian eigenvalues =          520.3398127553
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7948778695
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000022
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=       -0.0000000016
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000045
 Unscaled step for mode   17=       -0.0000000042
 Unscaled step for mode   18=       -0.0000000089
 Unscaled step for mode   19=       -0.0000000203
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000144
 Unscaled step for mode   22=       -0.0000000021
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000297
 Unscaled step for mode   26=        0.0000000484
 Unscaled step for mode   27=        0.0000000258
 Unscaled step for mode   28=        0.0000000110
 Unscaled step for mode   29=        0.0000000177
 Unscaled step for mode   30=        0.0000000405
 Unscaled step for mode   31=        0.0000000114
 Unscaled step for mode   32=        0.0000000039
 Unscaled step for mode   33=       -0.0000000197
 Unscaled step for mode   34=       -0.0000000103
 Unscaled step for mode   35=       -0.0000000595
 Unscaled step for mode   36=       -0.0000000150
 Unscaled step for mode   37=        0.0000000289
 Unscaled step for mode   38=        0.0000000135
 Unscaled step for mode   39=        0.0000000477
 Unscaled step for mode   40=       -0.0000000305
 Unscaled step for mode   41=       -0.0000000389
 Unscaled step for mode   42=        0.0000000160
 Unscaled step for mode   43=       -0.0000000143
 Unscaled step for mode   44=        0.0000000261
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000393
 Unscaled step for mode   47=        0.0000000865
 Unscaled step for mode   48=        0.0000000006
 Unscaled step for mode   49=        0.0000000517
 Unscaled step for mode   50=       -0.0000000346
 Unscaled step for mode   51=        0.0000000372
 Unscaled step for mode   52=       -0.0000000011
 Unscaled step for mode   53=       -0.0000000393
 Unscaled step for mode   54=        0.0000000266
 Unscaled step for mode   55=        0.0000000793
 Unscaled step for mode   56=       -0.0000000284
 Unscaled step for mode   57=       -0.0000000164
 Unscaled step for mode   58=       -0.0000000717
 Unscaled step for mode   59=       -0.0000000430
 Unscaled step for mode   60=       -0.0000000801
 Unscaled step for mode   61=       -0.0000000661
 Unscaled step for mode   62=        0.0000001765
 Unscaled step for mode   63=        0.0000001197
 Unscaled step for mode   64=       -0.0000000386
 Unscaled step for mode   65=       -0.0000000039
 Unscaled step for mode   66=        0.0000001402
 Unscaled step for mode   67=        0.0000000121
 Unscaled step for mode   68=        0.0000000428
 Unscaled step for mode   69=        0.0000000065
 Unscaled step for mode   70=        0.0000000899
 Unscaled step for mode   71=        0.0000000073
 Unscaled step for mode   72=        0.0000002206
 Unscaled step for mode   73=        0.0000001010
 Unscaled step for mode   74=       -0.0000002428
 Unscaled step for mode   75=       -0.0000002080
 Unscaled step for mode   76=       -0.0000002257
 Unscaled step for mode   77=        0.0000002433
 Unscaled step for mode   78=        0.0000003811
 Unscaled step for mode   79=        0.0000003580
 Unscaled step for mode   80=        0.0000001280
 Unscaled step for mode   81=        0.0000001453
 Unscaled step for mode   82=       -0.0000001913
 Unscaled step for mode   83=       -0.0000001183
 Unscaled step for mode   84=       -0.0000002199
 Unscaled step for mode   85=        0.0000003797
 Unscaled step for mode   86=        0.0000004789
 Unscaled step for mode   87=        0.0000000035
 Unscaled step for mode   88=       -0.0000000208
 Unscaled step for mode   89=       -0.0000005021
 Unscaled step for mode   90=       -0.0000002489
 Unscaled step for mode   91=        0.0000000009
 Unscaled step for mode   92=        0.0000006582
 Unscaled step for mode   93=        0.0000006892
 Unscaled step for mode   94=       -0.0000004200
 Unscaled step for mode   95=       -0.0000006727
 Unscaled step for mode   96=        0.0000002082
 Unscaled step for mode   97=        0.0000005708
 Unscaled step for mode   98=        0.0000004483
 Unscaled step for mode   99=       -0.0000012924
 Unscaled step for mode  100=        0.0000008212
 Unscaled step for mode  101=        0.0000030709
 Unscaled step for mode  102=        0.0000018564
 Unscaled step for mode  103=        0.0000009148
 Unscaled step for mode  104=        0.0000015055
 Unscaled step for mode  105=        0.0000012032
 Unscaled step for mode  106=       -0.0000000481
 Unscaled step for mode  107=        0.0000056755
 Unscaled step for mode  108=        0.0000045314
 Unscaled step for mode  109=       -0.0000052306
 Unscaled step for mode  110=        0.0000079473
 Unscaled step for mode  111=        0.0000422393
 Unscaled step for mode  112=       -0.0000010086
 Unscaled step for mode  113=       -0.0009544808
 Unscaled step for mode  114=       -0.0688926853
 Largest modulus ratio of non-zero e/values=           150.7154965    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.995298E-16    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.477049E-16    0.100756E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.131839E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.184674E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.130511E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.130728E-15    0.973601E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.410464E-06    0.722662E+03  0.567989E-09 0.100000E-04    0.963622E+00
   8   -0.150148E-05    0.671483E+03  0.223607E-08 0.100000E-04    0.998427E+00
   9    0.756491E-06    0.624451E+03 -0.121145E-08 0.100000E-04    0.992061E+00
  10    0.150668E-05    0.604062E+03 -0.249426E-08 0.100000E-04    0.992277E+00
  11   -0.102352E-05    0.589589E+03  0.173599E-08 0.100000E-04    0.996279E+00
  12    0.320751E-05    0.565171E+03 -0.567529E-08 0.100000E-04    0.999425E+00
  13    0.923539E-06    0.563621E+03 -0.163858E-08 0.100000E-04    0.981185E+00
  14   -0.569270E-05    0.479025E+03  0.118839E-07 0.100000E-04    0.999407E+00
  15    0.177890E-05    0.469105E+03 -0.379211E-08 0.100000E-04    0.995042E+00
  16    0.206908E-05    0.462801E+03 -0.447078E-08 0.100000E-04    0.987453E+00
  17    0.184798E-05    0.441395E+03 -0.418669E-08 0.100000E-04    0.984605E+00
  18    0.382209E-05    0.431176E+03 -0.886434E-08 0.100000E-04    0.997688E+00
  19    0.855279E-05    0.420771E+03 -0.203265E-07 0.100000E-04    0.994142E+00
  20    0.866169E-05    0.406262E+03 -0.213205E-07 0.100000E-04    0.997311E+00
  21    0.572136E-05    0.398176E+03 -0.143689E-07 0.100000E-04    0.994926E+00
  22    0.803897E-06    0.388596E+03 -0.206872E-08 0.100000E-04    0.962446E+00
  23   -0.166577E-05    0.367056E+03  0.453820E-08 0.100000E-04    0.998040E+00
  24    0.177618E-05    0.363412E+03 -0.488750E-08 0.100000E-04    0.996276E+00
  25   -0.104547E-04    0.352199E+03  0.296840E-07 0.100000E-04    0.994770E+00
  26   -0.165336E-04    0.341476E+03  0.484181E-07 0.100000E-04    0.993621E+00
  27   -0.837708E-05    0.324432E+03  0.258208E-07 0.100000E-04    0.995294E+00
  28   -0.355006E-05    0.322041E+03  0.110236E-07 0.100000E-04    0.981508E+00
  29   -0.563276E-05    0.318324E+03  0.176950E-07 0.100000E-04    0.969836E+00
  30   -0.128364E-04    0.317127E+03  0.404772E-07 0.100000E-04    0.986243E+00
  31   -0.347410E-05    0.305212E+03  0.113826E-07 0.100000E-04    0.992627E+00
  32   -0.111229E-05    0.287474E+03  0.386919E-08 0.100000E-04    0.976785E+00
  33    0.551330E-05    0.279720E+03 -0.197101E-07 0.100000E-04    0.992699E+00
  34    0.280429E-05    0.271199E+03 -0.103403E-07 0.100000E-04    0.987130E+00
  35    0.158190E-04    0.265797E+03 -0.595155E-07 0.100000E-04    0.995950E+00
  36    0.394319E-05    0.262575E+03 -0.150173E-07 0.100000E-04    0.986555E+00
  37   -0.746283E-05    0.257902E+03  0.289366E-07 0.100000E-04    0.993293E+00
  38   -0.343399E-05    0.253484E+03  0.135472E-07 0.100000E-04    0.999419E+00
  39   -0.115996E-04    0.243387E+03  0.476589E-07 0.100000E-04    0.994546E+00
  40    0.729390E-05    0.238821E+03 -0.305413E-07 0.100000E-04    0.991532E+00
  41    0.914464E-05    0.234839E+03 -0.389401E-07 0.100000E-04    0.988489E+00
  42   -0.366399E-05    0.228628E+03  0.160260E-07 0.100000E-04    0.992759E+00
  43    0.320144E-05    0.223700E+03 -0.143113E-07 0.100000E-04    0.992792E+00
  44   -0.555229E-05    0.212700E+03  0.261038E-07 0.100000E-04    0.991538E+00
  45    0.372988E-05    0.211412E+03 -0.176427E-07 0.100000E-04    0.997385E+00
  46    0.821596E-05    0.209235E+03 -0.392666E-07 0.100000E-04    0.993719E+00
  47   -0.175671E-04    0.203050E+03  0.865160E-07 0.100000E-04    0.995190E+00
  48   -0.121061E-06    0.198332E+03  0.610394E-09 0.100000E-04    0.864573E+00
  49   -0.101064E-04    0.195479E+03  0.517008E-07 0.100000E-04    0.994022E+00
  50    0.663932E-05    0.191614E+03 -0.346495E-07 0.100000E-04    0.991031E+00
  51   -0.691148E-05    0.186024E+03  0.371537E-07 0.100000E-04    0.995602E+00
  52    0.191642E-06    0.177397E+03 -0.108030E-08 0.100000E-04    0.983661E+00
  53    0.671325E-05    0.170854E+03 -0.392923E-07 0.100000E-04    0.996331E+00
  54   -0.446397E-05    0.168000E+03  0.265712E-07 0.100000E-04    0.991924E+00
  55   -0.131391E-04    0.165679E+03  0.793042E-07 0.100000E-04    0.995810E+00
  56    0.455397E-05    0.160388E+03 -0.283934E-07 0.100000E-04    0.993498E+00
  57    0.251813E-05    0.153525E+03 -0.164021E-07 0.100000E-04    0.992363E+00
  58    0.108252E-04    0.151001E+03 -0.716896E-07 0.100000E-04    0.992789E+00
  59    0.639851E-05    0.148918E+03 -0.429666E-07 0.100000E-04    0.999401E+00
  60    0.114346E-04    0.142771E+03 -0.800902E-07 0.100000E-04    0.996502E+00
  61    0.904607E-05    0.136933E+03 -0.660622E-07 0.100000E-04    0.990779E+00
  62   -0.238226E-04    0.134968E+03  0.176506E-06 0.100000E-04    0.995413E+00
  63   -0.156803E-04    0.130954E+03  0.119739E-06 0.100000E-04    0.993505E+00
  64    0.492508E-05    0.127661E+03 -0.385792E-07 0.100000E-04    0.988260E+00
  65    0.486909E-06    0.125902E+03 -0.386737E-08 0.100000E-04    0.988000E+00
  66   -0.175223E-04    0.124940E+03  0.140246E-06 0.100000E-04    0.993832E+00
  67   -0.144886E-05    0.119455E+03  0.121290E-07 0.100000E-04    0.995812E+00
  68   -0.504529E-05    0.117946E+03  0.427763E-07 0.100000E-04    0.992789E+00
  69   -0.754611E-06    0.116587E+03  0.647252E-08 0.100000E-04    0.952092E+00
  70   -0.100945E-04    0.112245E+03  0.899322E-07 0.100000E-04    0.993990E+00
  71   -0.799152E-06    0.109708E+03  0.728433E-08 0.100000E-04    0.970112E+00
  72   -0.232430E-04    0.105361E+03  0.220603E-06 0.100000E-04    0.991594E+00
  73   -0.103869E-04    0.102857E+03  0.100984E-06 0.100000E-04    0.990896E+00
  74    0.243447E-04    0.100278E+03 -0.242773E-06 0.100000E-04    0.994916E+00
  75    0.201942E-04    0.971071E+02 -0.207958E-06 0.100000E-04    0.991556E+00
  76    0.214663E-04    0.950891E+02 -0.225749E-06 0.100000E-04    0.994771E+00
  77   -0.221344E-04    0.909926E+02  0.243255E-06 0.100000E-04    0.705222E+00
  78   -0.346645E-04    0.909533E+02  0.381125E-06 0.100000E-04    0.932555E+00
  79   -0.317860E-04    0.887859E+02  0.358007E-06 0.100000E-04    0.999128E+00
  80   -0.108257E-04    0.845477E+02  0.128043E-06 0.100000E-04    0.993295E+00
  81   -0.117503E-04    0.808879E+02  0.145266E-06 0.100000E-04    0.993862E+00
  82    0.151696E-04    0.792808E+02 -0.191341E-06 0.100000E-04    0.999483E+00
  83    0.930045E-05    0.785943E+02 -0.118335E-06 0.100000E-04    0.999495E+00
  84    0.160255E-04    0.728775E+02 -0.219896E-06 0.100000E-04    0.990199E+00
  85   -0.271490E-04    0.715040E+02  0.379685E-06 0.100000E-04    0.993123E+00
  86   -0.329973E-04    0.689072E+02  0.478866E-06 0.100000E-04    0.996391E+00
  87   -0.240671E-06    0.678298E+02  0.354816E-08 0.100000E-04    0.130038E+01
  88    0.131653E-05    0.634250E+02 -0.207572E-07 0.100000E-04    0.958928E+00
  89    0.310567E-04    0.618548E+02 -0.502090E-06 0.100000E-04    0.993925E+00
  90    0.148500E-04    0.596536E+02 -0.248937E-06 0.100000E-04    0.990524E+00
  91   -0.538545E-07    0.587376E+02  0.916866E-09 0.107036E-04    0.226174E+00
  92   -0.367575E-04    0.558478E+02  0.658172E-06 0.100000E-04    0.994483E+00
  93   -0.368715E-04    0.534959E+02  0.689240E-06 0.100000E-04    0.996570E+00
  94    0.219430E-04    0.522469E+02 -0.419987E-06 0.100000E-04    0.990807E+00
  95    0.338328E-04    0.502925E+02 -0.672719E-06 0.100000E-04    0.997685E+00
  96   -0.998573E-05    0.479728E+02  0.208154E-06 0.100000E-04    0.999571E+00
  97   -0.247754E-04    0.434080E+02  0.570757E-06 0.100000E-04    0.992561E+00
  98   -0.179140E-04    0.399629E+02  0.448265E-06 0.100000E-04    0.993965E+00
  99    0.479890E-04    0.371322E+02 -0.129238E-05 0.100000E-04    0.985110E+00
 100   -0.297096E-04    0.361776E+02  0.821215E-06 0.100000E-04    0.995211E+00
 101   -0.107954E-03    0.351537E+02  0.307091E-05 0.100000E-04    0.996603E+00
 102   -0.539922E-04    0.290846E+02  0.185639E-05 0.100000E-04    0.986198E+00
 103   -0.264326E-04    0.288950E+02  0.914781E-06 0.100000E-04    0.980807E+00
 104   -0.432516E-04    0.287283E+02  0.150554E-05 0.100000E-04    0.994790E+00
 105   -0.278891E-04    0.231785E+02  0.120323E-05 0.100000E-04    0.992718E+00
 106    0.105517E-05    0.219348E+02 -0.481050E-07 0.100000E-04    0.672541E+00
 107   -0.111538E-03    0.196527E+02  0.567547E-05 0.100000E-04    0.995132E+00
 108   -0.759012E-04    0.167500E+02  0.453142E-05 0.100000E-04    0.994020E+00
 109    0.721968E-04    0.138027E+02 -0.523062E-05 0.100000E-04    0.998745E+00
 110   -0.988467E-04    0.124378E+02  0.794730E-05 0.100000E-04    0.986368E+00
 111   -0.462715E-03    0.109546E+02  0.100000E-04 0.100000E-04    0.822227E+00
 112    0.959494E-05    0.951303E+01 -0.100861E-05 0.100000E-04    0.949719E+00
 113    0.726241E-02    0.760875E+01 -0.130538E-04 0.130538E-04    0.959189E-01
 114   -0.331907E+00    0.479488E+01 -0.400000E-03 0.400000E-03    0.203154E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6889268527E-01

 Beginning of optimization cycle  154.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3914262594
 potential> RMS force:                                               0.0312727851   |gradient|=.3339019742    
 Eigenvalues of the Hessian matrix:
   722.72238    671.49759    624.46881    604.07169    589.58521    565.19255 
   563.65896    479.04299    469.08183    462.79026    441.39347    431.16666 
   420.77841    406.27293    398.17213    388.59946    367.05829    363.40219 
   352.19043    341.43774    324.43809    322.03009    318.32802    317.11807 
   305.20874    287.47793    279.71488    271.19303    265.79895    262.58497 
   257.90819    253.48608    243.37693    238.80779    234.85037    228.62965 
   223.68141    212.70133    211.41684    209.22249    203.05292    198.32812 
   195.48081    191.61375    186.01579    177.38270    170.85796    167.99727 
   165.67792    160.38339    153.52295    151.00027    148.92346    142.77500 
   136.93302    134.97301    130.95285    127.66115    125.90504    124.94596 
   119.45550    117.94615    116.59013    112.23790    109.69834    105.35745 
   102.85816    100.27369     97.10364     95.08985     90.99196     90.95584 
    88.79725     84.54943     80.88814     79.28438     78.59219     72.87505 
    71.50728     68.89788     67.83185     63.42409     61.84621     59.65345 
    58.74047     55.84868     53.49244     52.24621     50.29197     47.97176 
    43.40362     39.96547     37.12730     36.17520     35.16113     29.07761 
    28.89211     28.72823     23.17427     21.93513     19.65514     16.75155 
    13.80191     12.43547     10.94262      9.51476      7.60865      4.79377 
overlap for current and previous eigenvector    109 is         0.9999981471
overlap for current and previous eigenvector    110 is         0.9999969902
overlap for current and previous eigenvector    111 is         0.9999941836
overlap for current and previous eigenvector    112 is         0.9999988949
overlap for current and previous eigenvector    113 is         0.9999989797
overlap for current and previous eigenvector    114 is         0.9999994743
J1,K1,R1,R2,RAT=   7   7   -0.2764407048E-01     2.027478085        0.9723559295    
FOB,PFOB,DIAG,PSTEP=   -0.4218121543E-06   -0.4104643082E-06     722.7223795        0.5679890208E-09
J1,K1,R1,R2,RAT=   8   8   -0.1788084713E-01     2.017835917        0.9821191529    
FOB,PFOB,DIAG,PSTEP=   -0.1528329973E-05   -0.1501481606E-05     671.4975903        0.2236069585E-08
J1,K1,R1,R2,RAT=   9   9   -0.9325759939E-02     2.009267895        0.9906742401    
FOB,PFOB,DIAG,PSTEP=    0.7635455947E-06    0.7564905414E-06     624.4688066       -0.1211449509E-08
J1,K1,R1,R2,RAT=  10  10    0.3331158974E-02     1.996635455        0.9966354549    
FOB,PFOB,DIAG,PSTEP=    0.1501665229E-05    0.1506684318E-05     604.0716858       -0.2494256071E-08
J1,K1,R1,R2,RAT=  11  11    0.2131779138E-03     1.999799345        0.9997868221    
FOB,PFOB,DIAG,PSTEP=   -0.1023303879E-05   -0.1023522070E-05     589.5852087        0.1735992773E-08
J1,K1,R1,R2,RAT= 109 109   -0.1873529102E-02     2.001990112        0.9981264709    
FOB,PFOB,DIAG,PSTEP=    0.7233202171E-04    0.7219676685E-04     13.80190786       -0.5230621693E-05
J1,K1,R1,R2,RAT= 110 110   -0.6365810056E-02     2.006735247        0.9936341899    
FOB,PFOB,DIAG,PSTEP=   -0.9947581114E-04   -0.9884668811E-04     12.43547176        0.7947300640E-05
J1,K1,R1,R2,RAT= 111 111   -0.1864865120         8.643594149        0.8135134880    
FOB,PFOB,DIAG,PSTEP=   -0.4831211997E-03   -0.4627146846E-03     10.94262257        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.1912481459E-02     1.997724846        0.9977248456    
FOB,PFOB,DIAG,PSTEP=    0.9576582779E-05    0.9594936245E-05     9.514757109       -0.1008609717E-05
J1,K1,R1,R2,RAT= 113 113   -0.7457204282         146.9857175        0.2542795718    
FOB,PFOB,DIAG,PSTEP=    0.7336479344E-02    0.7262413017E-02     7.608652544       -0.1305380190E-04
J1,K1,R1,R2,RAT= 114 114    0.9979592992        -347.1838775        0.2040700805E-02
FOB,PFOB,DIAG,PSTEP=   -0.3338209071       -0.3319073112         4.793772562       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000      0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00002     -0.00000     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00001     -0.00000     -0.00002 
    -0.00001      0.00002     -0.00002     -0.00002      0.00003      0.00003 
    -0.00003     -0.00001     -0.00001      0.00002     -0.00001      0.00002 
    -0.00003     -0.00003     -0.00000      0.00000      0.00003      0.00001 
    -0.00000     -0.00004     -0.00004      0.00002      0.00003     -0.00001 
     0.00002      0.00002      0.00005     -0.00003      0.00011      0.00005 
     0.00003      0.00004      0.00003      0.00000     -0.00011     -0.00008 
     0.00007     -0.00010     -0.00048      0.00001      0.00734     -0.33382 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387263138
 Log product of positive Hessian eigenvalues =          520.3376885811
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7937725615
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000023
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=       -0.0000000016
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000045
 Unscaled step for mode   17=       -0.0000000042
 Unscaled step for mode   18=       -0.0000000089
 Unscaled step for mode   19=       -0.0000000204
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000144
 Unscaled step for mode   22=       -0.0000000021
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000298
 Unscaled step for mode   26=        0.0000000487
 Unscaled step for mode   27=        0.0000000260
 Unscaled step for mode   28=        0.0000000108
 Unscaled step for mode   29=        0.0000000172
 Unscaled step for mode   30=        0.0000000411
 Unscaled step for mode   31=        0.0000000115
 Unscaled step for mode   32=        0.0000000039
 Unscaled step for mode   33=       -0.0000000198
 Unscaled step for mode   34=       -0.0000000104
 Unscaled step for mode   35=       -0.0000000599
 Unscaled step for mode   36=       -0.0000000152
 Unscaled step for mode   37=        0.0000000291
 Unscaled step for mode   38=        0.0000000136
 Unscaled step for mode   39=        0.0000000479
 Unscaled step for mode   40=       -0.0000000309
 Unscaled step for mode   41=       -0.0000000394
 Unscaled step for mode   42=        0.0000000162
 Unscaled step for mode   43=       -0.0000000145
 Unscaled step for mode   44=        0.0000000266
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000397
 Unscaled step for mode   47=        0.0000000871
 Unscaled step for mode   48=        0.0000000005
 Unscaled step for mode   49=        0.0000000522
 Unscaled step for mode   50=       -0.0000000347
 Unscaled step for mode   51=        0.0000000375
 Unscaled step for mode   52=       -0.0000000010
 Unscaled step for mode   53=       -0.0000000395
 Unscaled step for mode   54=        0.0000000269
 Unscaled step for mode   55=        0.0000000797
 Unscaled step for mode   56=       -0.0000000284
 Unscaled step for mode   57=       -0.0000000166
 Unscaled step for mode   58=       -0.0000000721
 Unscaled step for mode   59=       -0.0000000432
 Unscaled step for mode   60=        0.0000000807
 Unscaled step for mode   61=       -0.0000000664
 Unscaled step for mode   62=       -0.0000001771
 Unscaled step for mode   63=       -0.0000001201
 Unscaled step for mode   64=        0.0000000391
 Unscaled step for mode   65=        0.0000000036
 Unscaled step for mode   66=       -0.0000001408
 Unscaled step for mode   67=        0.0000000123
 Unscaled step for mode   68=       -0.0000000430
 Unscaled step for mode   69=        0.0000000066
 Unscaled step for mode   70=        0.0000000909
 Unscaled step for mode   71=        0.0000000074
 Unscaled step for mode   72=        0.0000002218
 Unscaled step for mode   73=        0.0000001020
 Unscaled step for mode   74=       -0.0000002435
 Unscaled step for mode   75=        0.0000002101
 Unscaled step for mode   76=        0.0000002271
 Unscaled step for mode   77=       -0.0000003095
 Unscaled step for mode   78=       -0.0000003339
 Unscaled step for mode   79=        0.0000003577
 Unscaled step for mode   80=        0.0000001291
 Unscaled step for mode   81=        0.0000001460
 Unscaled step for mode   82=       -0.0000001909
 Unscaled step for mode   83=        0.0000001193
 Unscaled step for mode   84=       -0.0000002212
 Unscaled step for mode   85=        0.0000003810
 Unscaled step for mode   86=        0.0000004803
 Unscaled step for mode   87=        0.0000000068
 Unscaled step for mode   88=       -0.0000000206
 Unscaled step for mode   89=       -0.0000005046
 Unscaled step for mode   90=       -0.0000002495
 Unscaled step for mode   91=        0.0000000012
 Unscaled step for mode   92=        0.0000006628
 Unscaled step for mode   93=        0.0000006897
 Unscaled step for mode   94=       -0.0000004221
 Unscaled step for mode   95=       -0.0000006728
 Unscaled step for mode   96=        0.0000002093
 Unscaled step for mode   97=       -0.0000005728
 Unscaled step for mode   98=       -0.0000004508
 Unscaled step for mode   99=       -0.0000013045
 Unscaled step for mode  100=        0.0000008164
 Unscaled step for mode  101=       -0.0000030788
 Unscaled step for mode  102=       -0.0000018725
 Unscaled step for mode  103=       -0.0000008963
 Unscaled step for mode  104=       -0.0000015054
 Unscaled step for mode  105=       -0.0000012124
 Unscaled step for mode  106=       -0.0000000355
 Unscaled step for mode  107=        0.0000056899
 Unscaled step for mode  108=        0.0000045177
 Unscaled step for mode  109=       -0.0000052407
 Unscaled step for mode  110=        0.0000079994
 Unscaled step for mode  111=        0.0000441504
 Unscaled step for mode  112=       -0.0000010065
 Unscaled step for mode  113=       -0.0009642276
 Unscaled step for mode  114=       -0.0693019209
 Largest modulus ratio of non-zero e/values=           150.7627594    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.986624E-15    0.101884E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.249366E-15    0.100755E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.521975E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.470260E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.477049E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.348246E-15    0.973602E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.421812E-06    0.722722E+03  0.583643E-09 0.100000E-04    0.972356E+00
   8   -0.152833E-05    0.671498E+03  0.227600E-08 0.100000E-04    0.982119E+00
   9    0.763546E-06    0.624469E+03 -0.122271E-08 0.100000E-04    0.990674E+00
  10    0.150167E-05    0.604072E+03 -0.248591E-08 0.100000E-04    0.996635E+00
  11   -0.102330E-05    0.589585E+03  0.173563E-08 0.100000E-04    0.999787E+00
  12    0.321852E-05    0.565193E+03 -0.569455E-08 0.100000E-04    0.996569E+00
  13    0.880639E-06    0.563659E+03 -0.156236E-08 0.100000E-04    0.953419E+00
  14   -0.568627E-05    0.479043E+03  0.118701E-07 0.100000E-04    0.998794E+00
  15    0.178985E-05    0.469082E+03 -0.381565E-08 0.100000E-04    0.993840E+00
  16    0.208243E-05    0.462790E+03 -0.449974E-08 0.100000E-04    0.993545E+00
  17    0.185444E-05    0.441393E+03 -0.420132E-08 0.100000E-04    0.996509E+00
  18    0.383951E-05    0.431167E+03 -0.890494E-08 0.100000E-04    0.995442E+00
  19    0.859342E-05    0.420778E+03 -0.204227E-07 0.100000E-04    0.995250E+00
  20    0.866543E-05    0.406273E+03 -0.213291E-07 0.100000E-04    0.999569E+00
  21    0.574056E-05    0.398172E+03 -0.144173E-07 0.100000E-04    0.996645E+00
  22    0.826539E-06    0.388599E+03 -0.212697E-08 0.100000E-04    0.971834E+00
  23   -0.165442E-05    0.367058E+03  0.450724E-08 0.100000E-04    0.993172E+00
  24    0.177105E-05    0.363402E+03 -0.487353E-08 0.100000E-04    0.997115E+00
  25   -0.105126E-04    0.352190E+03  0.298493E-07 0.100000E-04    0.994457E+00
  26   -0.166337E-04    0.341438E+03  0.487167E-07 0.100000E-04    0.993945E+00
  27   -0.842695E-05    0.324438E+03  0.259740E-07 0.100000E-04    0.994047E+00
  28   -0.348845E-05    0.322030E+03  0.108327E-07 0.100000E-04    0.982646E+00
  29   -0.548686E-05    0.318328E+03  0.172365E-07 0.100000E-04    0.974074E+00
  30   -0.130226E-04    0.317118E+03  0.410655E-07 0.100000E-04    0.985494E+00
  31   -0.352347E-05    0.305209E+03  0.115445E-07 0.100000E-04    0.985787E+00
  32   -0.113008E-05    0.287478E+03  0.393103E-08 0.100000E-04    0.984005E+00
  33    0.553809E-05    0.279715E+03 -0.197991E-07 0.100000E-04    0.995502E+00
  34    0.281843E-05    0.271193E+03 -0.103927E-07 0.100000E-04    0.994957E+00
  35    0.159091E-04    0.265799E+03 -0.598538E-07 0.100000E-04    0.994309E+00
  36    0.398932E-05    0.262585E+03 -0.151925E-07 0.100000E-04    0.988302E+00
  37   -0.751727E-05    0.257908E+03  0.291471E-07 0.100000E-04    0.992706E+00
  38   -0.345291E-05    0.253486E+03  0.136217E-07 0.100000E-04    0.994490E+00
  39   -0.116502E-04    0.243377E+03  0.478689E-07 0.100000E-04    0.995637E+00
  40    0.737196E-05    0.238808E+03 -0.308699E-07 0.100000E-04    0.989297E+00
  41    0.925109E-05    0.234850E+03 -0.393914E-07 0.100000E-04    0.988360E+00
  42   -0.369819E-05    0.228630E+03  0.161755E-07 0.100000E-04    0.990665E+00
  43    0.324444E-05    0.223681E+03 -0.145047E-07 0.100000E-04    0.986566E+00
  44   -0.566433E-05    0.212701E+03  0.266304E-07 0.100000E-04    0.979821E+00
  45    0.371601E-05    0.211417E+03 -0.175767E-07 0.100000E-04    0.996232E+00
  46    0.830095E-05    0.209222E+03 -0.396752E-07 0.100000E-04    0.989655E+00
  47   -0.176889E-04    0.203053E+03  0.871147E-07 0.100000E-04    0.993064E+00
  48   -0.981234E-07    0.198328E+03  0.494753E-09 0.100000E-04    0.810526E+00
  49   -0.101946E-04    0.195481E+03  0.521516E-07 0.100000E-04    0.991272E+00
  50    0.664531E-05    0.191614E+03 -0.346808E-07 0.100000E-04    0.999097E+00
  51   -0.697009E-05    0.186016E+03  0.374704E-07 0.100000E-04    0.991521E+00
  52    0.181367E-06    0.177383E+03 -0.102246E-08 0.100000E-04    0.946384E+00
  53    0.675103E-05    0.170858E+03 -0.395125E-07 0.100000E-04    0.994372E+00
  54   -0.452288E-05    0.167997E+03  0.269223E-07 0.100000E-04    0.986802E+00
  55   -0.132094E-04    0.165678E+03  0.797296E-07 0.100000E-04    0.994645E+00
  56    0.455989E-05    0.160383E+03 -0.284312E-07 0.100000E-04    0.998701E+00
  57    0.254646E-05    0.153523E+03 -0.165868E-07 0.100000E-04    0.988750E+00
  58    0.108879E-04    0.151000E+03 -0.721055E-07 0.100000E-04    0.994207E+00
  59    0.643358E-05    0.148923E+03 -0.432006E-07 0.100000E-04    0.994519E+00
  60   -0.115248E-04    0.142775E+03  0.807199E-07 0.100000E-04    0.992113E+00
  61    0.909803E-05    0.136933E+03 -0.664414E-07 0.100000E-04    0.994257E+00
  62    0.239088E-04    0.134973E+03 -0.177137E-06 0.100000E-04    0.996382E+00
  63    0.157285E-04    0.130953E+03 -0.120108E-06 0.100000E-04    0.996927E+00
  64   -0.499494E-05    0.127661E+03  0.391266E-07 0.100000E-04    0.985815E+00
  65   -0.454871E-06    0.125905E+03  0.361281E-08 0.100000E-04    0.934155E+00
  66    0.175962E-04    0.124946E+03 -0.140831E-06 0.100000E-04    0.995781E+00
  67   -0.147452E-05    0.119456E+03  0.123436E-07 0.100000E-04    0.982295E+00
  68    0.507393E-05    0.117946E+03 -0.430191E-07 0.100000E-04    0.994323E+00
  69   -0.771571E-06    0.116590E+03  0.661781E-08 0.100000E-04    0.977525E+00
  70   -0.102005E-04    0.112238E+03  0.908828E-07 0.100000E-04    0.989496E+00
  71   -0.815861E-06    0.109698E+03  0.743731E-08 0.100000E-04    0.979090E+00
  72   -0.233683E-04    0.105357E+03  0.221800E-06 0.100000E-04    0.994608E+00
  73   -0.104918E-04    0.102858E+03  0.102003E-06 0.100000E-04    0.989905E+00
  74    0.244172E-04    0.100274E+03 -0.243506E-06 0.100000E-04    0.997021E+00
  75   -0.204030E-04    0.971036E+02  0.210116E-06 0.100000E-04    0.989659E+00
  76   -0.215911E-04    0.950898E+02  0.227060E-06 0.100000E-04    0.994187E+00
  77    0.281643E-04    0.909920E+02 -0.309525E-06 0.100000E-04    0.727576E+00
  78    0.303746E-04    0.909558E+02 -0.333948E-06 0.100000E-04    0.876191E+00
  79   -0.317594E-04    0.887973E+02  0.357662E-06 0.100000E-04    0.998910E+00
  80   -0.109148E-04    0.845494E+02  0.129093E-06 0.100000E-04    0.991774E+00
  81   -0.118061E-04    0.808881E+02  0.145956E-06 0.100000E-04    0.995248E+00
  82    0.151339E-04    0.792844E+02 -0.190881E-06 0.100000E-04    0.997550E+00
  83   -0.937214E-05    0.785922E+02  0.119250E-06 0.100000E-04    0.992292E+00
  84    0.161171E-04    0.728751E+02 -0.221160E-06 0.100000E-04    0.994284E+00
  85   -0.272466E-04    0.715073E+02  0.381033E-06 0.100000E-04    0.996405E+00
  86   -0.330944E-04    0.688979E+02  0.480339E-06 0.100000E-04    0.997057E+00
  87   -0.458533E-06    0.678319E+02  0.675985E-08 0.109000E-04    0.948004E-01
  88    0.130409E-05    0.634241E+02 -0.205615E-07 0.100000E-04    0.990558E+00
  89    0.312054E-04    0.618462E+02 -0.504564E-06 0.100000E-04    0.995211E+00
  90    0.148838E-04    0.596535E+02 -0.249505E-06 0.100000E-04    0.997718E+00
  91   -0.681633E-07    0.587405E+02  0.116041E-08 0.100000E-04    0.734320E+00
  92   -0.370146E-04    0.558487E+02  0.662767E-06 0.100000E-04    0.993003E+00
  93   -0.368927E-04    0.534924E+02  0.689680E-06 0.100000E-04    0.999426E+00
  94    0.220522E-04    0.522462E+02 -0.422082E-06 0.100000E-04    0.995024E+00
  95    0.338353E-04    0.502920E+02 -0.672776E-06 0.100000E-04    0.999926E+00
  96   -0.100408E-04    0.479718E+02  0.209307E-06 0.100000E-04    0.994484E+00
  97    0.248609E-04    0.434036E+02 -0.572784E-06 0.100000E-04    0.996550E+00
  98    0.180147E-04    0.399655E+02 -0.450758E-06 0.100000E-04    0.994375E+00
  99    0.484330E-04    0.371273E+02 -0.130451E-05 0.100000E-04    0.990747E+00
 100   -0.295328E-04    0.361752E+02  0.816384E-06 0.100000E-04    0.994050E+00
 101    0.108255E-03    0.351611E+02 -0.307884E-05 0.100000E-04    0.997206E+00
 102    0.544469E-04    0.290776E+02 -0.187247E-05 0.100000E-04    0.991577E+00
 103    0.258957E-04    0.288921E+02 -0.896290E-06 0.100000E-04    0.979686E+00
 104    0.432468E-04    0.287282E+02 -0.150538E-05 0.100000E-04    0.999890E+00
 105    0.280965E-04    0.231743E+02 -0.121240E-05 0.100000E-04    0.992559E+00
 106    0.778275E-06    0.219351E+02 -0.354808E-07 0.100000E-04    0.737555E+00
 107   -0.111835E-03    0.196551E+02  0.568988E-05 0.100000E-04    0.997337E+00
 108   -0.756793E-04    0.167515E+02  0.451775E-05 0.100000E-04    0.996892E+00
 109    0.723320E-04    0.138019E+02 -0.524073E-05 0.100000E-04    0.998126E+00
 110   -0.994758E-04    0.124355E+02  0.799936E-05 0.100000E-04    0.993634E+00
 111   -0.483121E-03    0.109426E+02  0.100000E-04 0.100000E-04    0.813513E+00
 112    0.957658E-05    0.951476E+01 -0.100650E-05 0.100000E-04    0.997725E+00
 113    0.733648E-02    0.760865E+01 -0.117602E-04 0.117602E-04    0.254280E+00
 114   -0.333821E+00    0.479377E+01 -0.400000E-03 0.400000E-03    0.204070E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6930192086E-01

 Beginning of optimization cycle  155.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3912924391
 potential> RMS force:                                               0.0314520977   |gradient|=.3358165079    
 Eigenvalues of the Hessian matrix:
   722.78243    671.51273    624.48685    604.08152    589.58156    565.21361 
   563.69638    479.06140    469.05907    462.77993    441.39178    431.15693 
   420.78603    406.28378    398.16822    388.60292    367.06095    363.39208 
   352.18183    341.39966    324.44419    322.01914    318.33237    317.10870 
   305.20520    287.48158    279.71019    271.18732    265.80074    262.59441 
   257.91381    253.48821    243.36638    238.79469    234.86207    228.63162 
   223.66233    212.70272    211.42202    209.20973    203.05593    198.32391 
   195.48242    191.61361    186.00746    177.36829    170.86201    167.99402 
   165.67649    160.37837    153.52101    150.99918    148.92877    142.77853 
   136.93341    134.97825    130.95156    127.66092    125.90810    124.95221 
   119.45646    117.94633    116.59348    112.23047    109.68833    105.35371 
   102.85920    100.26954     97.10012     95.09064     90.99390     90.95584 
    88.80854     84.55120     80.88835     79.28796     78.59004     72.87263 
    71.51059     68.88864     67.83387     63.42314     61.83769     59.65336 
    58.74335     55.84957     53.48900     52.24551     50.29140     47.97073 
    43.39924     39.96807     37.12253     36.17280     35.16862     29.07079 
    28.88910     28.72809     23.16999     21.93541     19.65765     16.75308 
    13.80112     12.43319     10.93065      9.51647      7.60855      4.79264 
overlap for current and previous eigenvector    109 is         0.9999981737
overlap for current and previous eigenvector    110 is         0.9999970512
overlap for current and previous eigenvector    111 is         0.9999942394
overlap for current and previous eigenvector    112 is         0.9999988636
overlap for current and previous eigenvector    113 is         0.9999989693
overlap for current and previous eigenvector    114 is        -0.9999994770
J1,K1,R1,R2,RAT=   7   7   -0.3459798122E-01     2.034431821        0.9654020188    
FOB,PFOB,DIAG,PSTEP=   -0.4364072158E-06   -0.4218121543E-06     722.7824282        0.5836434103E-09
J1,K1,R1,R2,RAT=   8   8   -0.1708343307E-02     2.001663241        0.9982916567    
FOB,PFOB,DIAG,PSTEP=   -0.1530940944E-05   -0.1528329973E-05     671.5127338        0.2276002170E-08
J1,K1,R1,R2,RAT=   9   9    0.7740918130E-02     1.992201284        0.9922012836    
FOB,PFOB,DIAG,PSTEP=    0.7576348799E-06    0.7635455947E-06     624.4868537       -0.1222712146E-08
J1,K1,R1,R2,RAT=  10  10   -0.7640859359E-02     2.007608302        0.9923591406    
FOB,PFOB,DIAG,PSTEP=    0.1513139429E-05    0.1501665229E-05     604.0815194       -0.2485905671E-08
J1,K1,R1,R2,RAT=  11  11   -0.3698896918E-02     2.003711264        0.9963011031    
FOB,PFOB,DIAG,PSTEP=   -0.1027088951E-05   -0.1023303879E-05     589.5815631        0.1735633567E-08
J1,K1,R1,R2,RAT= 109 109   -0.1188630056E-02     2.001302876        0.9988113699    
FOB,PFOB,DIAG,PSTEP=    0.7241799282E-04    0.7233202171E-04     13.80111950       -0.5240726315E-05
J1,K1,R1,R2,RAT= 110 110   -0.1330873815E-01     2.013675544        0.9866912618    
FOB,PFOB,DIAG,PSTEP=   -0.1007994659E-03   -0.9947581114E-04     12.43319148        0.7999359660E-05
J1,K1,R1,R2,RAT= 111 111   -0.1867709676         9.026526796        0.8132290324    
FOB,PFOB,DIAG,PSTEP=   -0.5035364727E-03   -0.4831211997E-03     10.93064580        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.5190405535E-01     1.947735749        0.9477357489    
FOB,PFOB,DIAG,PSTEP=    0.9079429760E-05    0.9576582779E-05     9.516471005       -0.1006497872E-05
J1,K1,R1,R2,RAT= 113 113   -0.9396089590         164.9236218        0.6039104104E-01
FOB,PFOB,DIAG,PSTEP=    0.7420553658E-02    0.7336479344E-02     7.608554326       -0.1176018189E-04
J1,K1,R1,R2,RAT= 114 114    -349.2618097        0.9979446510        0.2055349047E-02
FOB,PFOB,DIAG,PSTEP=    0.3357340243       -0.3338209071         4.792643461       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001      0.00000      0.00000      0.00001      0.00001     -0.00001 
     0.00001     -0.00002      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00001      0.00000     -0.00002 
    -0.00001     -0.00002     -0.00002      0.00002     -0.00003      0.00002 
     0.00003     -0.00001     -0.00001     -0.00002     -0.00001     -0.00002 
     0.00003     -0.00003      0.00000     -0.00000     -0.00003     -0.00002 
    -0.00000     -0.00004     -0.00004      0.00002      0.00003     -0.00001 
     0.00003     -0.00002     -0.00005      0.00003      0.00011     -0.00006 
     0.00003     -0.00004      0.00003     -0.00000      0.00011      0.00008 
     0.00007     -0.00010     -0.00050      0.00001      0.00742      0.33573 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387321733
 Log product of positive Hessian eigenvalues =          520.3355662083
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7926434609
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000023
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=       -0.0000000015
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000046
 Unscaled step for mode   17=       -0.0000000043
 Unscaled step for mode   18=       -0.0000000089
 Unscaled step for mode   19=       -0.0000000205
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000145
 Unscaled step for mode   22=       -0.0000000022
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000049
 Unscaled step for mode   25=        0.0000000300
 Unscaled step for mode   26=        0.0000000490
 Unscaled step for mode   27=        0.0000000261
 Unscaled step for mode   28=        0.0000000106
 Unscaled step for mode   29=        0.0000000167
 Unscaled step for mode   30=        0.0000000416
 Unscaled step for mode   31=        0.0000000116
 Unscaled step for mode   32=        0.0000000040
 Unscaled step for mode   33=       -0.0000000199
 Unscaled step for mode   34=       -0.0000000105
 Unscaled step for mode   35=       -0.0000000601
 Unscaled step for mode   36=       -0.0000000154
 Unscaled step for mode   37=        0.0000000293
 Unscaled step for mode   38=        0.0000000136
 Unscaled step for mode   39=        0.0000000481
 Unscaled step for mode   40=       -0.0000000311
 Unscaled step for mode   41=       -0.0000000398
 Unscaled step for mode   42=        0.0000000163
 Unscaled step for mode   43=       -0.0000000146
 Unscaled step for mode   44=        0.0000000269
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000399
 Unscaled step for mode   47=        0.0000000875
 Unscaled step for mode   48=        0.0000000004
 Unscaled step for mode   49=        0.0000000525
 Unscaled step for mode   50=       -0.0000000350
 Unscaled step for mode   51=        0.0000000376
 Unscaled step for mode   52=       -0.0000000010
 Unscaled step for mode   53=       -0.0000000397
 Unscaled step for mode   54=        0.0000000271
 Unscaled step for mode   55=       -0.0000000801
 Unscaled step for mode   56=       -0.0000000286
 Unscaled step for mode   57=       -0.0000000167
 Unscaled step for mode   58=       -0.0000000726
 Unscaled step for mode   59=       -0.0000000432
 Unscaled step for mode   60=        0.0000000810
 Unscaled step for mode   61=       -0.0000000670
 Unscaled step for mode   62=        0.0000001779
 Unscaled step for mode   63=       -0.0000001209
 Unscaled step for mode   64=        0.0000000396
 Unscaled step for mode   65=        0.0000000036
 Unscaled step for mode   66=       -0.0000001417
 Unscaled step for mode   67=        0.0000000123
 Unscaled step for mode   68=       -0.0000000433
 Unscaled step for mode   69=        0.0000000069
 Unscaled step for mode   70=        0.0000000914
 Unscaled step for mode   71=       -0.0000000077
 Unscaled step for mode   72=        0.0000002237
 Unscaled step for mode   73=        0.0000001029
 Unscaled step for mode   74=        0.0000002447
 Unscaled step for mode   75=        0.0000002119
 Unscaled step for mode   76=       -0.0000002282
 Unscaled step for mode   77=        0.0000003675
 Unscaled step for mode   78=       -0.0000002728
 Unscaled step for mode   79=       -0.0000003579
 Unscaled step for mode   80=        0.0000001299
 Unscaled step for mode   81=        0.0000001468
 Unscaled step for mode   82=        0.0000001909
 Unscaled step for mode   83=        0.0000001193
 Unscaled step for mode   84=        0.0000002233
 Unscaled step for mode   85=       -0.0000003836
 Unscaled step for mode   86=        0.0000004821
 Unscaled step for mode   87=       -0.0000000094
 Unscaled step for mode   88=        0.0000000214
 Unscaled step for mode   89=        0.0000005077
 Unscaled step for mode   90=        0.0000002518
 Unscaled step for mode   91=        0.0000000016
 Unscaled step for mode   92=        0.0000006664
 Unscaled step for mode   93=        0.0000006920
 Unscaled step for mode   94=       -0.0000004259
 Unscaled step for mode   95=       -0.0000006743
 Unscaled step for mode   96=        0.0000002092
 Unscaled step for mode   97=       -0.0000005771
 Unscaled step for mode   98=        0.0000004534
 Unscaled step for mode   99=        0.0000013238
 Unscaled step for mode  100=       -0.0000008120
 Unscaled step for mode  101=       -0.0000030883
 Unscaled step for mode  102=        0.0000018985
 Unscaled step for mode  103=       -0.0000008760
 Unscaled step for mode  104=        0.0000015132
 Unscaled step for mode  105=       -0.0000012214
 Unscaled step for mode  106=        0.0000000474
 Unscaled step for mode  107=       -0.0000057160
 Unscaled step for mode  108=       -0.0000044903
 Unscaled step for mode  109=       -0.0000052473
 Unscaled step for mode  110=        0.0000081073
 Unscaled step for mode  111=        0.0000460665
 Unscaled step for mode  112=       -0.0000009541
 Unscaled step for mode  113=       -0.0009752900
 Unscaled step for mode  114=        0.0697115197
 Largest modulus ratio of non-zero e/values=           150.8108070    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.451028E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.200577E-15    0.100755E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.318593E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.613771E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.340006E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.161817E-15    0.973604E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.436407E-06    0.722782E+03  0.603788E-09 0.100000E-04    0.965402E+00
   8   -0.153094E-05    0.671513E+03  0.227984E-08 0.100000E-04    0.998292E+00
   9    0.757635E-06    0.624487E+03 -0.121321E-08 0.100000E-04    0.992201E+00
  10    0.151314E-05    0.604082E+03 -0.250486E-08 0.100000E-04    0.992359E+00
  11   -0.102709E-05    0.589582E+03  0.174206E-08 0.100000E-04    0.996301E+00
  12    0.322019E-05    0.565214E+03 -0.569730E-08 0.100000E-04    0.999480E+00
  13    0.861784E-06    0.563696E+03 -0.152881E-08 0.100000E-04    0.978458E+00
  14   -0.568910E-05    0.479061E+03  0.118755E-07 0.100000E-04    0.999501E+00
  15    0.178111E-05    0.469059E+03 -0.379720E-08 0.100000E-04    0.995115E+00
  16    0.210811E-05    0.462780E+03 -0.455532E-08 0.100000E-04    0.987670E+00
  17    0.188238E-05    0.441392E+03 -0.426465E-08 0.100000E-04    0.984931E+00
  18    0.384836E-05    0.431157E+03 -0.892566E-08 0.100000E-04    0.997696E+00
  19    0.864327E-05    0.420786E+03 -0.205408E-07 0.100000E-04    0.994200E+00
  20    0.868810E-05    0.406284E+03 -0.213843E-07 0.100000E-04    0.997384E+00
  21    0.576917E-05    0.398168E+03 -0.144893E-07 0.100000E-04    0.995015E+00
  22    0.855908E-06    0.388603E+03 -0.220253E-08 0.100000E-04    0.964468E+00
  23   -0.165108E-05    0.367061E+03  0.449811E-08 0.100000E-04    0.997966E+00
  24    0.176414E-05    0.363392E+03 -0.485465E-08 0.100000E-04    0.996098E+00
  25   -0.105671E-04    0.352182E+03  0.300047E-07 0.100000E-04    0.994817E+00
  26   -0.167387E-04    0.341400E+03  0.490298E-07 0.100000E-04    0.993685E+00
  27   -0.846652E-05    0.324444E+03  0.260955E-07 0.100000E-04    0.995305E+00
  28   -0.341990E-05    0.322019E+03  0.106202E-07 0.100000E-04    0.980349E+00
  29   -0.531028E-05    0.318332E+03  0.166816E-07 0.100000E-04    0.967792E+00
  30   -0.131891E-04    0.317109E+03  0.415918E-07 0.100000E-04    0.987213E+00
  31   -0.354950E-05    0.305205E+03  0.116299E-07 0.100000E-04    0.992614E+00
  32   -0.115548E-05    0.287482E+03  0.401933E-08 0.100000E-04    0.977524E+00
  33    0.557818E-05    0.279710E+03 -0.199427E-07 0.100000E-04    0.992761E+00
  34    0.285423E-05    0.271187E+03 -0.105249E-07 0.100000E-04    0.987299E+00
  35    0.159725E-04    0.265801E+03 -0.600920E-07 0.100000E-04    0.996013E+00
  36    0.404229E-05    0.262594E+03 -0.153937E-07 0.100000E-04    0.986722E+00
  37   -0.756744E-05    0.257914E+03  0.293410E-07 0.100000E-04    0.993326E+00
  38   -0.345481E-05    0.253488E+03  0.136291E-07 0.100000E-04    0.999450E+00
  39   -0.117126E-04    0.243366E+03  0.481275E-07 0.100000E-04    0.994640E+00
  40    0.743283E-05    0.238795E+03 -0.311265E-07 0.100000E-04    0.991743E+00
  41    0.935691E-05    0.234862E+03 -0.398400E-07 0.100000E-04    0.988562E+00
  42   -0.372466E-05    0.228632E+03  0.162911E-07 0.100000E-04    0.992843E+00
  43    0.326797E-05    0.223662E+03 -0.146112E-07 0.100000E-04    0.992746E+00
  44   -0.571222E-05    0.212703E+03  0.268554E-07 0.100000E-04    0.991545E+00
  45    0.372541E-05    0.211422E+03 -0.176208E-07 0.100000E-04    0.997469E+00
  46    0.835282E-05    0.209210E+03 -0.399256E-07 0.100000E-04    0.993751E+00
  47   -0.177730E-04    0.203056E+03  0.875277E-07 0.100000E-04    0.995245E+00
  48   -0.788994E-07    0.198324E+03  0.397831E-09 0.100000E-04    0.804079E+00
  49   -0.102550E-04    0.195482E+03  0.524600E-07 0.100000E-04    0.994079E+00
  50    0.670423E-05    0.191614E+03 -0.349883E-07 0.100000E-04    0.991134E+00
  51   -0.700071E-05    0.186007E+03  0.376367E-07 0.100000E-04    0.995606E+00
  52    0.178042E-06    0.177368E+03 -0.100380E-08 0.100000E-04    0.981664E+00
  53    0.677589E-05    0.170862E+03 -0.396571E-07 0.100000E-04    0.996319E+00
  54   -0.455921E-05    0.167994E+03  0.271391E-07 0.100000E-04    0.991967E+00
  55    0.132641E-04    0.165676E+03 -0.800600E-07 0.100000E-04    0.995865E+00
  56    0.458891E-05    0.160378E+03 -0.286130E-07 0.100000E-04    0.993635E+00
  57    0.256627E-05    0.153521E+03 -0.167161E-07 0.100000E-04    0.992219E+00
  58    0.109660E-04    0.150999E+03 -0.726226E-07 0.100000E-04    0.992836E+00
  59    0.642930E-05    0.148929E+03 -0.431703E-07 0.100000E-04    0.999264E+00
  60   -0.115652E-04    0.142779E+03  0.810007E-07 0.100000E-04    0.996498E+00
  61    0.918136E-05    0.136933E+03 -0.670498E-07 0.100000E-04    0.990841E+00
  62   -0.240168E-04    0.134978E+03  0.177931E-06 0.100000E-04    0.995482E+00
  63    0.158292E-04    0.130952E+03 -0.120879E-06 0.100000E-04    0.993597E+00
  64   -0.505347E-05    0.127661E+03  0.395851E-07 0.100000E-04    0.988282E+00
  65   -0.449071E-06    0.125908E+03  0.356666E-08 0.100000E-04    0.987201E+00
  66    0.177033E-04    0.124952E+03 -0.141681E-06 0.100000E-04    0.993914E+00
  67   -0.146865E-05    0.119456E+03  0.122944E-07 0.100000E-04    0.996003E+00
  68    0.511009E-05    0.117946E+03 -0.433256E-07 0.100000E-04    0.992874E+00
  69   -0.806309E-06    0.116593E+03  0.691556E-08 0.100000E-04    0.954979E+00
  70   -0.102611E-04    0.112230E+03  0.914287E-07 0.100000E-04    0.994060E+00
  71    0.839282E-06    0.109688E+03 -0.765152E-08 0.100000E-04    0.971289E+00
  72   -0.235626E-04    0.105354E+03  0.223652E-06 0.100000E-04    0.991687E+00
  73   -0.105861E-04    0.102859E+03  0.102918E-06 0.100000E-04    0.991013E+00
  74   -0.245389E-04    0.100270E+03  0.244729E-06 0.100000E-04    0.995019E+00
  75   -0.205747E-04    0.971001E+02  0.211892E-06 0.100000E-04    0.991585E+00
  76    0.217019E-04    0.950906E+02 -0.228224E-06 0.100000E-04    0.994866E+00
  77   -0.334375E-04    0.909939E+02  0.367470E-06 0.100000E-04    0.812774E+00
  78    0.248173E-04    0.909558E+02 -0.272850E-06 0.100000E-04    0.817042E+00
  79    0.317819E-04    0.888085E+02 -0.357870E-06 0.100000E-04    0.999291E+00
  80   -0.109870E-04    0.845512E+02  0.129944E-06 0.100000E-04    0.993386E+00
  81   -0.118774E-04    0.808883E+02  0.146837E-06 0.100000E-04    0.993960E+00
  82   -0.151392E-04    0.792880E+02  0.190939E-06 0.100000E-04    0.999649E+00
  83   -0.937796E-05    0.785900E+02  0.119328E-06 0.100000E-04    0.999379E+00
  84   -0.162731E-04    0.728726E+02  0.223308E-06 0.100000E-04    0.990321E+00
  85    0.274319E-04    0.715106E+02 -0.383606E-06 0.100000E-04    0.993201E+00
  86   -0.332090E-04    0.688886E+02  0.482068E-06 0.100000E-04    0.996535E+00
  87    0.635488E-06    0.678339E+02 -0.936829E-08 0.100000E-04    0.614097E+00
  88   -0.135437E-05    0.634231E+02  0.213545E-07 0.100000E-04    0.961448E+00
  89   -0.313928E-04    0.618377E+02  0.507665E-06 0.100000E-04    0.993993E+00
  90   -0.150230E-04    0.596534E+02  0.251839E-06 0.100000E-04    0.990649E+00
  91   -0.914804E-07    0.587434E+02  0.155729E-08 0.100000E-04    0.657940E+00
  92   -0.372155E-04    0.558496E+02  0.666353E-06 0.100000E-04    0.994573E+00
  93   -0.370155E-04    0.534890E+02  0.692021E-06 0.100000E-04    0.996670E+00
  94    0.222516E-04    0.522455E+02 -0.425905E-06 0.100000E-04    0.990957E+00
  95    0.339103E-04    0.502914E+02 -0.674277E-06 0.100000E-04    0.997781E+00
  96   -0.100361E-04    0.479707E+02  0.209212E-06 0.100000E-04    0.999528E+00
  97    0.250439E-04    0.433992E+02 -0.577059E-06 0.100000E-04    0.992638E+00
  98   -0.181231E-04    0.399681E+02  0.453440E-06 0.100000E-04    0.993984E+00
  99   -0.491426E-04    0.371225E+02  0.132379E-05 0.100000E-04    0.985348E+00
 100    0.293711E-04    0.361728E+02 -0.811965E-06 0.100000E-04    0.994522E+00
 101    0.108612E-03    0.351686E+02 -0.308833E-05 0.100000E-04    0.996705E+00
 102   -0.551895E-04    0.290708E+02  0.189845E-05 0.100000E-04    0.986358E+00
 103    0.253072E-04    0.288891E+02 -0.876011E-06 0.100000E-04    0.977270E+00
 104   -0.434721E-04    0.287281E+02  0.151323E-05 0.100000E-04    0.994790E+00
 105    0.282993E-04    0.231700E+02 -0.122138E-05 0.100000E-04    0.992780E+00
 106   -0.103918E-05    0.219354E+02  0.473744E-07 0.100000E-04    0.664774E+00
 107    0.112363E-03    0.196577E+02 -0.571599E-05 0.100000E-04    0.995283E+00
 108    0.752262E-04    0.167531E+02 -0.449029E-05 0.100000E-04    0.993831E+00
 109    0.724180E-04    0.138011E+02 -0.524725E-05 0.100000E-04    0.998811E+00
 110   -0.100799E-03    0.124332E+02  0.810729E-05 0.100000E-04    0.986691E+00
 111   -0.503536E-03    0.109306E+02  0.100000E-04 0.100000E-04    0.813229E+00
 112    0.907943E-05    0.951647E+01 -0.954075E-06 0.100000E-04    0.947736E+00
 113    0.742055E-02    0.760855E+01 -0.128186E-04 0.128186E-04    0.603910E-01
 114    0.335734E+00    0.479264E+01  0.400000E-03 0.400000E-03    0.205535E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.6971151969E-01

 Beginning of optimization cycle  156.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3911578627
 potential> RMS force:                                               0.0316313487   |gradient|=.3377303849    
 Eigenvalues of the Hessian matrix:
   722.84244    671.52774    624.50479    604.09135    589.57775    565.23478 
   563.73372    479.07984    469.03629    462.76964    441.39012    431.14728 
   420.79369    406.29465    398.16432    388.60636    367.06367    363.38196 
   352.17331    341.36170    324.45035    322.00837    318.33723    317.09860 
   305.20166    287.48527    279.70549    271.18166    265.80261    262.60393 
   257.91960    253.49036    243.35595    238.78163    234.87380    228.63359 
   223.64325    212.70424    211.42724    209.19694    203.05897    198.31974 
   195.48400    191.61348    185.99909    177.35388    170.86608    167.99077 
   165.67505    160.37329    153.51915    150.99811    148.93398    142.78202 
   136.93380    134.98353    130.95024    127.66072    125.91114    124.95844 
   119.45741    117.94651    116.59680    112.22303    109.67826    105.34996 
   102.86025    100.26539     97.09653     95.09141     90.99811     90.95365 
    88.81980     84.55299     80.88857     79.29156     78.58789     72.87021 
    71.51388     68.87938     67.83580     63.42223     61.82909     59.65326 
    58.74621     55.85044     53.48553     52.24481     50.29081     47.96968 
    43.39486     39.97065     37.11784     36.17022     35.17607     29.06409 
    28.88598     28.72791     23.16576     21.93567     19.66017     16.75458 
    13.80034     12.43094     10.91863      9.51818      7.60842      4.79148 
overlap for current and previous eigenvector    109 is         0.9999981948
overlap for current and previous eigenvector    110 is         0.9999971175
overlap for current and previous eigenvector    111 is         0.9999942841
overlap for current and previous eigenvector    112 is         0.9999988250
overlap for current and previous eigenvector    113 is         0.9999989600
overlap for current and previous eigenvector    114 is         0.9999994801
J1,K1,R1,R2,RAT=   7   7   -0.2661580643E-01     2.026449762        0.9733841936    
FOB,PFOB,DIAG,PSTEP=   -0.4480235102E-06   -0.4364072158E-06     722.8424401        0.6037878050E-09
J1,K1,R1,R2,RAT=   8   8   -0.1748229862E-01     2.017437595        0.9825177014    
FOB,PFOB,DIAG,PSTEP=   -0.1557705909E-05   -0.1530940944E-05     671.5277436        0.2279839036E-08
J1,K1,R1,R2,RAT=   9   9   -0.8996574464E-02     2.008939145        0.9910034255    
FOB,PFOB,DIAG,PSTEP=    0.7644511943E-06    0.7576348799E-06     624.5047863       -0.1213211896E-08
J1,K1,R1,R2,RAT=  10  10    0.3310840385E-02     1.996656607        0.9966566070    
FOB,PFOB,DIAG,PSTEP=    0.1508129584E-05    0.1513139429E-05     604.0913518       -0.2504859660E-08
J1,K1,R1,R2,RAT=  11  11    0.1794370944E-03     1.999833482        0.9998205629    
FOB,PFOB,DIAG,PSTEP=   -0.1026904655E-05   -0.1027088951E-05     589.5777546        0.1742064229E-08
J1,K1,R1,R2,RAT= 109 109   -0.1805295031E-02     2.001918205        0.9981947050    
FOB,PFOB,DIAG,PSTEP=    0.7254872128E-04    0.7241799282E-04     13.80034040       -0.5247254965E-05
J1,K1,R1,R2,RAT= 110 110   -0.6204290344E-02     2.006566192        0.9937957097    
FOB,PFOB,DIAG,PSTEP=   -0.1014247419E-03   -0.1007994659E-03     12.43094208        0.8107288148E-05
J1,K1,R1,R2,RAT= 111 111   -0.1954513100         9.418889172        0.8045486900    
FOB,PFOB,DIAG,PSTEP=   -0.5248770758E-03   -0.5035364727E-03     10.91862883        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.9656675363E-03     1.998674339        0.9986743386    
FOB,PFOB,DIAG,PSTEP=    0.9070660471E-05    0.9079429760E-05     9.518184249       -0.9540752822E-06
J1,K1,R1,R2,RAT= 113 113   -0.7782036926         152.9489127        0.2217963074    
FOB,PFOB,DIAG,PSTEP=    0.7496451343E-02    0.7420553658E-02     7.608423958       -0.1281859826E-04
J1,K1,R1,R2,RAT= 114 114    0.9979351129        -351.3426583        0.2064887130E-02
FOB,PFOB,DIAG,PSTEP=    0.3376466592        0.3357340243         4.791481105        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001      0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00001      0.00002     -0.00002      0.00001      0.00000     -0.00002 
    -0.00000      0.00001      0.00000      0.00001     -0.00000     -0.00002 
    -0.00001     -0.00002     -0.00002      0.00002      0.00004      0.00002 
     0.00003     -0.00001     -0.00001     -0.00002     -0.00001     -0.00002 
     0.00003     -0.00003      0.00000     -0.00000     -0.00003     -0.00002 
     0.00000      0.00004      0.00004     -0.00002      0.00003      0.00001 
    -0.00003     -0.00002      0.00005     -0.00003     -0.00011      0.00006 
    -0.00002      0.00004      0.00003     -0.00000      0.00011      0.00007 
     0.00007     -0.00010     -0.00052      0.00001      0.00750      0.33765 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387397438
 Log product of positive Hessian eigenvalues =          520.3334230093
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7914811047
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000023
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=       -0.0000000015
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000046
 Unscaled step for mode   17=       -0.0000000043
 Unscaled step for mode   18=       -0.0000000090
 Unscaled step for mode   19=       -0.0000000206
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000145
 Unscaled step for mode   22=       -0.0000000023
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000302
 Unscaled step for mode   26=        0.0000000493
 Unscaled step for mode   27=        0.0000000262
 Unscaled step for mode   28=        0.0000000104
 Unscaled step for mode   29=        0.0000000162
 Unscaled step for mode   30=        0.0000000422
 Unscaled step for mode   31=        0.0000000118
 Unscaled step for mode   32=        0.0000000041
 Unscaled step for mode   33=       -0.0000000200
 Unscaled step for mode   34=       -0.0000000106
 Unscaled step for mode   35=       -0.0000000604
 Unscaled step for mode   36=       -0.0000000156
 Unscaled step for mode   37=        0.0000000296
 Unscaled step for mode   38=        0.0000000137
 Unscaled step for mode   39=        0.0000000483
 Unscaled step for mode   40=       -0.0000000315
 Unscaled step for mode   41=       -0.0000000403
 Unscaled step for mode   42=        0.0000000164
 Unscaled step for mode   43=       -0.0000000148
 Unscaled step for mode   44=        0.0000000274
 Unscaled step for mode   45=       -0.0000000175
 Unscaled step for mode   46=       -0.0000000403
 Unscaled step for mode   47=        0.0000000881
 Unscaled step for mode   48=        0.0000000003
 Unscaled step for mode   49=        0.0000000529
 Unscaled step for mode   50=       -0.0000000350
 Unscaled step for mode   51=        0.0000000380
 Unscaled step for mode   52=       -0.0000000009
 Unscaled step for mode   53=       -0.0000000399
 Unscaled step for mode   54=        0.0000000275
 Unscaled step for mode   55=       -0.0000000805
 Unscaled step for mode   56=       -0.0000000287
 Unscaled step for mode   57=       -0.0000000169
 Unscaled step for mode   58=        0.0000000730
 Unscaled step for mode   59=        0.0000000434
 Unscaled step for mode   60=       -0.0000000816
 Unscaled step for mode   61=        0.0000000674
 Unscaled step for mode   62=       -0.0000001786
 Unscaled step for mode   63=        0.0000001212
 Unscaled step for mode   64=       -0.0000000401
 Unscaled step for mode   65=       -0.0000000033
 Unscaled step for mode   66=        0.0000001423
 Unscaled step for mode   67=        0.0000000125
 Unscaled step for mode   68=       -0.0000000436
 Unscaled step for mode   69=       -0.0000000071
 Unscaled step for mode   70=       -0.0000000924
 Unscaled step for mode   71=        0.0000000078
 Unscaled step for mode   72=        0.0000002249
 Unscaled step for mode   73=        0.0000001039
 Unscaled step for mode   74=        0.0000002454
 Unscaled step for mode   75=        0.0000002141
 Unscaled step for mode   76=       -0.0000002295
 Unscaled step for mode   77=       -0.0000004069
 Unscaled step for mode   78=       -0.0000002164
 Unscaled step for mode   79=       -0.0000003575
 Unscaled step for mode   80=        0.0000001310
 Unscaled step for mode   81=        0.0000001475
 Unscaled step for mode   82=        0.0000001904
 Unscaled step for mode   83=        0.0000001202
 Unscaled step for mode   84=        0.0000002246
 Unscaled step for mode   85=       -0.0000003850
 Unscaled step for mode   86=        0.0000004835
 Unscaled step for mode   87=       -0.0000000127
 Unscaled step for mode   88=        0.0000000211
 Unscaled step for mode   89=        0.0000005101
 Unscaled step for mode   90=        0.0000002524
 Unscaled step for mode   91=       -0.0000000018
 Unscaled step for mode   92=       -0.0000006709
 Unscaled step for mode   93=       -0.0000006924
 Unscaled step for mode   94=        0.0000004280
 Unscaled step for mode   95=       -0.0000006743
 Unscaled step for mode   96=       -0.0000002104
 Unscaled step for mode   97=        0.0000005791
 Unscaled step for mode   98=        0.0000004559
 Unscaled step for mode   99=       -0.0000013361
 Unscaled step for mode  100=        0.0000008067
 Unscaled step for mode  101=        0.0000030960
 Unscaled step for mode  102=       -0.0000019148
 Unscaled step for mode  103=        0.0000008554
 Unscaled step for mode  104=       -0.0000015131
 Unscaled step for mode  105=       -0.0000012305
 Unscaled step for mode  106=        0.0000000350
 Unscaled step for mode  107=       -0.0000057300
 Unscaled step for mode  108=       -0.0000044760
 Unscaled step for mode  109=       -0.0000052570
 Unscaled step for mode  110=        0.0000081591
 Unscaled step for mode  111=        0.0000480717
 Unscaled step for mode  112=       -0.0000009530
 Unscaled step for mode  113=       -0.0009852821
 Unscaled step for mode  114=        0.0701216240
 Largest modulus ratio of non-zero e/values=           150.8599167    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.344126E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.314635E-15    0.100755E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.576362E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.445597E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.390774E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.501254E-15    0.973606E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.448024E-06    0.722842E+03  0.619808E-09 0.100000E-04    0.973384E+00
   8   -0.155771E-05    0.671528E+03  0.231964E-08 0.100000E-04    0.982518E+00
   9    0.764451E-06    0.624505E+03 -0.122409E-08 0.100000E-04    0.991003E+00
  10    0.150813E-05    0.604091E+03 -0.249653E-08 0.100000E-04    0.996657E+00
  11   -0.102690E-05    0.589578E+03  0.174176E-08 0.100000E-04    0.999821E+00
  12    0.323050E-05    0.565235E+03 -0.571533E-08 0.100000E-04    0.996797E+00
  13    0.817724E-06    0.563734E+03 -0.145055E-08 0.100000E-04    0.948745E+00
  14   -0.568214E-05    0.479080E+03  0.118605E-07 0.100000E-04    0.998698E+00
  15    0.179187E-05    0.469036E+03 -0.382032E-08 0.100000E-04    0.993960E+00
  16    0.212172E-05    0.462770E+03 -0.458482E-08 0.100000E-04    0.993546E+00
  17    0.188905E-05    0.441390E+03 -0.427977E-08 0.100000E-04    0.996459E+00
  18    0.386558E-05    0.431147E+03 -0.896580E-08 0.100000E-04    0.995525E+00
  19    0.868391E-05    0.420794E+03 -0.206370E-07 0.100000E-04    0.995297E+00
  20    0.869141E-05    0.406295E+03 -0.213919E-07 0.100000E-04    0.999619E+00
  21    0.578814E-05    0.398164E+03 -0.145371E-07 0.100000E-04    0.996713E+00
  22    0.878904E-06    0.388606E+03 -0.226168E-08 0.100000E-04    0.973133E+00
  23   -0.163954E-05    0.367064E+03  0.446663E-08 0.100000E-04    0.992994E+00
  24    0.175871E-05    0.363382E+03 -0.483984E-08 0.100000E-04    0.996922E+00
  25   -0.106250E-04    0.352173E+03  0.301699E-07 0.100000E-04    0.994519E+00
  26   -0.168390E-04    0.341362E+03  0.493289E-07 0.100000E-04    0.994011E+00
  27   -0.851652E-05    0.324450E+03  0.262491E-07 0.100000E-04    0.994094E+00
  28   -0.335648E-05    0.322008E+03  0.104236E-07 0.100000E-04    0.981454E+00
  29   -0.516313E-05    0.318337E+03  0.162191E-07 0.100000E-04    0.972260E+00
  30   -0.133683E-04    0.317099E+03  0.421581E-07 0.100000E-04    0.986417E+00
  31   -0.359921E-05    0.305202E+03  0.117929E-07 0.100000E-04    0.985993E+00
  32   -0.117358E-05    0.287485E+03  0.408221E-08 0.100000E-04    0.984344E+00
  33    0.560309E-05    0.279705E+03 -0.200321E-07 0.100000E-04    0.995534E+00
  34    0.286887E-05    0.271182E+03 -0.105792E-07 0.100000E-04    0.994869E+00
  35    0.160619E-04    0.265803E+03 -0.604279E-07 0.100000E-04    0.994403E+00
  36    0.408940E-05    0.262604E+03 -0.155725E-07 0.100000E-04    0.988347E+00
  37   -0.762215E-05    0.257920E+03  0.295524E-07 0.100000E-04    0.992770E+00
  38   -0.347328E-05    0.253490E+03  0.137018E-07 0.100000E-04    0.994655E+00
  39   -0.117628E-04    0.243356E+03  0.483360E-07 0.100000E-04    0.995711E+00
  40    0.751029E-05    0.238782E+03 -0.314525E-07 0.100000E-04    0.989579E+00
  41    0.946531E-05    0.234874E+03 -0.402996E-07 0.100000E-04    0.988415E+00
  42   -0.375904E-05    0.228634E+03  0.164413E-07 0.100000E-04    0.990770E+00
  43    0.331141E-05    0.223643E+03 -0.148067E-07 0.100000E-04    0.986708E+00
  44   -0.582473E-05    0.212704E+03  0.273842E-07 0.100000E-04    0.980304E+00
  45    0.371053E-05    0.211427E+03 -0.175499E-07 0.100000E-04    0.995954E+00
  46    0.843773E-05    0.209197E+03 -0.403339E-07 0.100000E-04    0.989833E+00
  47   -0.178944E-04    0.203059E+03  0.881241E-07 0.100000E-04    0.993170E+00
  48   -0.556502E-07    0.198320E+03  0.280608E-09 0.100000E-04    0.705324E+00
  49   -0.103435E-04    0.195484E+03  0.529122E-07 0.100000E-04    0.991373E+00
  50    0.671008E-05    0.191613E+03 -0.350188E-07 0.100000E-04    0.999128E+00
  51   -0.705942E-05    0.185999E+03  0.379540E-07 0.100000E-04    0.991614E+00
  52    0.167508E-06    0.177354E+03 -0.944486E-09 0.100000E-04    0.940829E+00
  53    0.681347E-05    0.170866E+03 -0.398761E-07 0.100000E-04    0.994454E+00
  54   -0.461856E-05    0.167991E+03  0.274929E-07 0.100000E-04    0.986984E+00
  55    0.133339E-04    0.165675E+03 -0.804825E-07 0.100000E-04    0.994731E+00
  56    0.459477E-05    0.160373E+03 -0.286505E-07 0.100000E-04    0.998721E+00
  57    0.259486E-05    0.153519E+03 -0.169025E-07 0.100000E-04    0.988859E+00
  58   -0.110295E-04    0.150998E+03  0.730437E-07 0.100000E-04    0.994209E+00
  59   -0.646282E-05    0.148934E+03  0.433938E-07 0.100000E-04    0.994787E+00
  60    0.116549E-04    0.142782E+03 -0.816269E-07 0.100000E-04    0.992244E+00
  61   -0.923399E-05    0.136934E+03  0.674340E-07 0.100000E-04    0.994267E+00
  62    0.241020E-04    0.134984E+03 -0.178555E-06 0.100000E-04    0.996451E+00
  63   -0.158772E-04    0.130950E+03  0.121246E-06 0.100000E-04    0.996970E+00
  64    0.512462E-05    0.127661E+03 -0.401425E-07 0.100000E-04    0.985921E+00
  65    0.417505E-06    0.125911E+03 -0.331587E-08 0.100000E-04    0.929662E+00
  66   -0.177769E-04    0.124958E+03  0.142263E-06 0.100000E-04    0.995844E+00
  67   -0.149442E-05    0.119457E+03  0.125101E-07 0.100000E-04    0.982449E+00
  68    0.513874E-05    0.117947E+03 -0.435684E-07 0.100000E-04    0.994394E+00
  69    0.823488E-06    0.116597E+03 -0.706270E-08 0.100000E-04    0.978694E+00
  70    0.103673E-04    0.112223E+03 -0.923809E-07 0.100000E-04    0.989651E+00
  71   -0.856499E-06    0.109678E+03  0.780919E-08 0.100000E-04    0.979485E+00
  72   -0.236890E-04    0.105350E+03  0.224860E-06 0.100000E-04    0.994634E+00
  73   -0.106913E-04    0.102860E+03  0.103940E-06 0.100000E-04    0.990060E+00
  74   -0.246101E-04    0.100265E+03  0.245449E-06 0.100000E-04    0.997098E+00
  75   -0.207853E-04    0.970965E+02  0.214069E-06 0.100000E-04    0.989763E+00
  76    0.218259E-04    0.950914E+02 -0.229525E-06 0.100000E-04    0.994289E+00
  77    0.370296E-04    0.909981E+02 -0.406927E-06 0.100000E-04    0.892578E+00
  78    0.196781E-04    0.909536E+02 -0.216353E-06 0.100000E-04    0.792914E+00
  79    0.317497E-04    0.888198E+02 -0.357462E-06 0.100000E-04    0.998733E+00
  80   -0.110760E-04    0.845530E+02  0.130995E-06 0.100000E-04    0.991895E+00
  81   -0.119331E-04    0.808886E+02  0.147525E-06 0.100000E-04    0.995311E+00
  82   -0.151009E-04    0.792916E+02  0.190448E-06 0.100000E-04    0.997383E+00
  83   -0.945011E-05    0.785879E+02  0.120249E-06 0.100000E-04    0.992307E+00
  84   -0.163654E-04    0.728702E+02  0.224583E-06 0.100000E-04    0.994325E+00
  85    0.275294E-04    0.715139E+02 -0.384952E-06 0.100000E-04    0.996445E+00
  86   -0.333016E-04    0.688794E+02  0.483476E-06 0.100000E-04    0.997213E+00
  87    0.861626E-06    0.678358E+02 -0.127016E-07 0.100000E-04    0.644160E+00
  88   -0.134110E-05    0.634222E+02  0.211457E-07 0.100000E-04    0.990206E+00
  89   -0.315417E-04    0.618291E+02  0.510144E-06 0.100000E-04    0.995256E+00
  90   -0.150572E-04    0.596533E+02  0.252412E-06 0.100000E-04    0.997726E+00
  91    0.105338E-06    0.587462E+02 -0.179310E-08 0.100000E-04    0.848525E+00
  92    0.374709E-04    0.558504E+02 -0.670914E-06 0.100000E-04    0.993139E+00
  93    0.370341E-04    0.534855E+02 -0.692414E-06 0.100000E-04    0.999497E+00
  94   -0.223612E-04    0.522448E+02  0.428009E-06 0.100000E-04    0.995073E+00
  95    0.339099E-04    0.502908E+02 -0.674277E-06 0.100000E-04    0.999988E+00
  96    0.100905E-04    0.479697E+02 -0.210352E-06 0.100000E-04    0.994575E+00
  97   -0.251291E-04    0.433949E+02  0.579080E-06 0.100000E-04    0.996599E+00
  98   -0.182245E-04    0.399706E+02  0.455946E-06 0.100000E-04    0.994409E+00
  99    0.495925E-04    0.371178E+02 -0.133608E-05 0.100000E-04    0.990843E+00
 100   -0.291796E-04    0.361702E+02  0.806730E-06 0.100000E-04    0.993482E+00
 101   -0.108904E-03    0.351761E+02  0.309598E-05 0.100000E-04    0.997311E+00
 102    0.556529E-04    0.290641E+02 -0.191483E-05 0.100000E-04    0.991601E+00
 103   -0.247084E-04    0.288860E+02  0.855376E-06 0.100000E-04    0.976336E+00
 104    0.434692E-04    0.287279E+02 -0.151313E-05 0.100000E-04    0.999932E+00
 105    0.285057E-04    0.231658E+02 -0.123051E-05 0.100000E-04    0.992708E+00
 106   -0.766718E-06    0.219357E+02  0.349530E-07 0.100000E-04    0.737792E+00
 107    0.112653E-03    0.196602E+02 -0.573000E-05 0.100000E-04    0.997421E+00
 108    0.749943E-04    0.167546E+02 -0.447605E-05 0.100000E-04    0.996738E+00
 109    0.725487E-04    0.138003E+02 -0.525702E-05 0.100000E-04    0.998195E+00
 110   -0.101425E-03    0.124309E+02  0.815906E-05 0.100000E-04    0.993796E+00
 111   -0.524877E-03    0.109186E+02  0.100000E-04 0.100000E-04    0.804549E+00
 112    0.907066E-05    0.951818E+01 -0.952982E-06 0.100000E-04    0.998674E+00
 113    0.749645E-02    0.760842E+01 -0.115483E-04 0.115483E-04    0.221796E+00
 114    0.337647E+00    0.479148E+01  0.400000E-03 0.400000E-03    0.206489E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7012162398E-01

 Beginning of optimization cycle  157.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3910225131
 potential> RMS force:                                               0.0318105736   |gradient|=.3396439839    
 Eigenvalues of the Hessian matrix:
   722.90252    671.54281    624.52270    604.10094    589.57399    565.25595 
   563.77096    479.09836    469.01351    462.75935    441.38846    431.13756 
   420.80129    406.30549    398.16040    388.60978    367.06636    363.37187 
   352.16473    341.32371    324.45647    321.99783    318.34266    317.08770 
   305.19805    287.48900    279.70077    271.17598    265.80449    262.61341 
   257.92531    253.49251    243.34554    238.76849    234.88549    228.63551 
   223.62413    212.70581    211.43240    209.18414    203.06200    198.31555 
   195.48554    191.61335    185.99068    177.33949    170.87021    167.98747 
   165.67361    160.36821    153.51734    150.99702    148.93919    142.78553 
   136.93418    134.98879    130.94894    127.66052    125.91417    124.96465 
   119.45839    117.94671    116.60013    112.21561    109.66819    105.34623 
   102.86132    100.26125     97.09291     95.09219     91.00377     90.95002 
    88.83104     84.55478     80.88879     79.29513     78.58575     72.86781 
    71.51721     68.87016     67.83773     63.42132     61.82050     59.65317 
    58.74908     55.85135     53.48206     52.24414     50.29021     47.96864 
    43.39050     39.97324     37.11326     36.16762     35.18356     29.05756 
    28.88274     28.72770     23.16154     21.93590     19.66276     16.75607 
    13.79958     12.42871     10.90660      9.51989      7.60829      4.79029 
overlap for current and previous eigenvector    109 is         0.9999982206
overlap for current and previous eigenvector    110 is         0.9999971754
overlap for current and previous eigenvector    111 is         0.9999943327
overlap for current and previous eigenvector    112 is         0.9999987903
overlap for current and previous eigenvector    113 is         0.9999989492
overlap for current and previous eigenvector    114 is         0.9999994829
J1,K1,R1,R2,RAT=   7   7   -0.3299136936E-01     2.032825156        0.9670086306    
FOB,PFOB,DIAG,PSTEP=   -0.4628056478E-06   -0.4480235102E-06     722.9025180        0.6198079766E-09
J1,K1,R1,R2,RAT=   8   8   -0.1836506764E-02     2.001791635        0.9981634932    
FOB,PFOB,DIAG,PSTEP=   -0.1560566710E-05   -0.1557705909E-05     671.5428104        0.2319644905E-08
J1,K1,R1,R2,RAT=   9   9    0.7607558146E-02     1.992335080        0.9923350803    
FOB,PFOB,DIAG,PSTEP=    0.7586354206E-06    0.7644511943E-06     624.5226981       -0.1224091810E-08
J1,K1,R1,R2,RAT=  10  10   -0.7560162988E-02     2.007528429        0.9924398370    
FOB,PFOB,DIAG,PSTEP=    0.1519531471E-05    0.1508129584E-05     604.1009372       -0.2496525699E-08
J1,K1,R1,R2,RAT=  11  11   -0.3677952681E-02     2.003690721        0.9963220473    
FOB,PFOB,DIAG,PSTEP=   -0.1030681537E-05   -0.1026904655E-05     589.5739906        0.1741762891E-08
J1,K1,R1,R2,RAT= 109 109   -0.1124619518E-02     2.001235244        0.9988753805    
FOB,PFOB,DIAG,PSTEP=    0.7263030647E-04    0.7254872128E-04     13.79957711       -0.5257024042E-05
J1,K1,R1,R2,RAT= 110 110   -0.1299433366E-01     2.013353661        0.9870056663    
FOB,PFOB,DIAG,PSTEP=   -0.1027424521E-03   -0.1014247419E-03     12.42870909        0.8159055139E-05
J1,K1,R1,R2,RAT= 111 111   -0.1956121119         9.820553051        0.8043878881    
FOB,PFOB,DIAG,PSTEP=   -0.5462117133E-03   -0.5248770758E-03     10.90660356        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.5390536706E-01     1.945737150        0.9457371498    
FOB,PFOB,DIAG,PSTEP=    0.8581615776E-05    0.9070660471E-05     9.519885849       -0.9529822321E-06
J1,K1,R1,R2,RAT= 113 113   -0.9753216158         171.6153596        0.2467838423E-01
FOB,PFOB,DIAG,PSTEP=    0.7582145781E-02    0.7496451343E-02     7.608292924       -0.1154828672E-04
J1,K1,R1,R2,RAT= 114 114    0.9979204794        -353.4257559        0.2079520647E-02
FOB,PFOB,DIAG,PSTEP=    0.3395587926        0.3376466592         4.790294994        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001      0.00000      0.00000      0.00001      0.00001      0.00001 
    -0.00001     -0.00002      0.00002     -0.00001     -0.00000      0.00002 
     0.00000      0.00001     -0.00000     -0.00001      0.00000      0.00002 
    -0.00001     -0.00002     -0.00002      0.00002      0.00004      0.00002 
     0.00003     -0.00001     -0.00001     -0.00002     -0.00001     -0.00002 
     0.00003     -0.00003      0.00000      0.00000      0.00003      0.00002 
    -0.00000      0.00004      0.00004     -0.00002     -0.00003     -0.00001 
     0.00003      0.00002      0.00005     -0.00003     -0.00011      0.00006 
    -0.00002      0.00004      0.00003     -0.00000      0.00011     -0.00007 
     0.00007     -0.00010     -0.00055      0.00001      0.00758      0.33956 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387435832
 Log product of positive Hessian eigenvalues =          520.3312813358
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7902949944
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000023
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=       -0.0000000014
 Unscaled step for mode   14=        0.0000000119
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000046
 Unscaled step for mode   17=       -0.0000000043
 Unscaled step for mode   18=       -0.0000000090
 Unscaled step for mode   19=       -0.0000000208
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000146
 Unscaled step for mode   22=       -0.0000000023
 Unscaled step for mode   23=        0.0000000045
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000303
 Unscaled step for mode   26=        0.0000000496
 Unscaled step for mode   27=        0.0000000264
 Unscaled step for mode   28=        0.0000000102
 Unscaled step for mode   29=        0.0000000157
 Unscaled step for mode   30=        0.0000000427
 Unscaled step for mode   31=        0.0000000119
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000202
 Unscaled step for mode   34=       -0.0000000107
 Unscaled step for mode   35=       -0.0000000607
 Unscaled step for mode   36=       -0.0000000158
 Unscaled step for mode   37=        0.0000000297
 Unscaled step for mode   38=        0.0000000137
 Unscaled step for mode   39=        0.0000000486
 Unscaled step for mode   40=       -0.0000000317
 Unscaled step for mode   41=       -0.0000000408
 Unscaled step for mode   42=        0.0000000166
 Unscaled step for mode   43=       -0.0000000149
 Unscaled step for mode   44=        0.0000000276
 Unscaled step for mode   45=       -0.0000000176
 Unscaled step for mode   46=       -0.0000000406
 Unscaled step for mode   47=        0.0000000885
 Unscaled step for mode   48=        0.0000000002
 Unscaled step for mode   49=        0.0000000532
 Unscaled step for mode   50=       -0.0000000353
 Unscaled step for mode   51=        0.0000000381
 Unscaled step for mode   52=       -0.0000000009
 Unscaled step for mode   53=       -0.0000000400
 Unscaled step for mode   54=        0.0000000277
 Unscaled step for mode   55=       -0.0000000808
 Unscaled step for mode   56=       -0.0000000288
 Unscaled step for mode   57=       -0.0000000170
 Unscaled step for mode   58=       -0.0000000736
 Unscaled step for mode   59=       -0.0000000434
 Unscaled step for mode   60=       -0.0000000819
 Unscaled step for mode   61=        0.0000000680
 Unscaled step for mode   62=        0.0000001793
 Unscaled step for mode   63=       -0.0000001220
 Unscaled step for mode   64=        0.0000000406
 Unscaled step for mode   65=        0.0000000033
 Unscaled step for mode   66=       -0.0000001431
 Unscaled step for mode   67=       -0.0000000125
 Unscaled step for mode   68=       -0.0000000439
 Unscaled step for mode   69=        0.0000000074
 Unscaled step for mode   70=        0.0000000929
 Unscaled step for mode   71=       -0.0000000080
 Unscaled step for mode   72=       -0.0000002267
 Unscaled step for mode   73=        0.0000001049
 Unscaled step for mode   74=        0.0000002467
 Unscaled step for mode   75=        0.0000002159
 Unscaled step for mode   76=       -0.0000002307
 Unscaled step for mode   77=       -0.0000004295
 Unscaled step for mode   78=       -0.0000001734
 Unscaled step for mode   79=       -0.0000003576
 Unscaled step for mode   80=        0.0000001318
 Unscaled step for mode   81=        0.0000001484
 Unscaled step for mode   82=        0.0000001905
 Unscaled step for mode   83=        0.0000001203
 Unscaled step for mode   84=        0.0000002267
 Unscaled step for mode   85=       -0.0000003875
 Unscaled step for mode   86=        0.0000004851
 Unscaled step for mode   87=       -0.0000000155
 Unscaled step for mode   88=       -0.0000000219
 Unscaled step for mode   89=       -0.0000005132
 Unscaled step for mode   90=       -0.0000002547
 Unscaled step for mode   91=        0.0000000022
 Unscaled step for mode   92=       -0.0000006745
 Unscaled step for mode   93=       -0.0000006947
 Unscaled step for mode   94=        0.0000004318
 Unscaled step for mode   95=        0.0000006757
 Unscaled step for mode   96=        0.0000002102
 Unscaled step for mode   97=       -0.0000005834
 Unscaled step for mode   98=       -0.0000004587
 Unscaled step for mode   99=       -0.0000013555
 Unscaled step for mode  100=        0.0000008018
 Unscaled step for mode  101=        0.0000031052
 Unscaled step for mode  102=       -0.0000019408
 Unscaled step for mode  103=        0.0000008329
 Unscaled step for mode  104=       -0.0000015211
 Unscaled step for mode  105=       -0.0000012395
 Unscaled step for mode  106=        0.0000000469
 Unscaled step for mode  107=       -0.0000057554
 Unscaled step for mode  108=        0.0000044480
 Unscaled step for mode  109=       -0.0000052632
 Unscaled step for mode  110=        0.0000082665
 Unscaled step for mode  111=        0.0000500808
 Unscaled step for mode  112=       -0.0000009014
 Unscaled step for mode  113=       -0.0009965623
 Unscaled step for mode  114=        0.0705320995
 Largest modulus ratio of non-zero e/values=           150.9098122    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.104083E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.924608E-15    0.100755E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.133530E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.655522E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.531259E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.356377E-15    0.973607E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.462806E-06    0.722903E+03  0.640205E-09 0.100000E-04    0.967009E+00
   8   -0.156057E-05    0.671543E+03  0.232385E-08 0.100000E-04    0.998163E+00
   9    0.758635E-06    0.624523E+03 -0.121474E-08 0.100000E-04    0.992335E+00
  10    0.151953E-05    0.604101E+03 -0.251536E-08 0.100000E-04    0.992440E+00
  11   -0.103068E-05    0.589574E+03  0.174818E-08 0.100000E-04    0.996322E+00
  12    0.323196E-05    0.565256E+03 -0.571770E-08 0.100000E-04    0.999549E+00
  13    0.797555E-06    0.563771E+03 -0.141468E-08 0.100000E-04    0.975204E+00
  14   -0.568443E-05    0.479098E+03  0.118649E-07 0.100000E-04    0.999596E+00
  15    0.178325E-05    0.469014E+03 -0.380212E-08 0.100000E-04    0.995188E+00
  16    0.214743E-05    0.462759E+03 -0.464049E-08 0.100000E-04    0.987881E+00
  17    0.191692E-05    0.441388E+03 -0.434293E-08 0.100000E-04    0.985246E+00
  18    0.387445E-05    0.431138E+03 -0.898658E-08 0.100000E-04    0.997705E+00
  19    0.873379E-05    0.420801E+03 -0.207551E-07 0.100000E-04    0.994256E+00
  20    0.871352E-05    0.406305E+03 -0.214457E-07 0.100000E-04    0.997457E+00
  21    0.581648E-05    0.398160E+03 -0.146084E-07 0.100000E-04    0.995104E+00
  22    0.908541E-06    0.388610E+03 -0.233793E-08 0.100000E-04    0.966280E+00
  23   -0.163610E-05    0.367066E+03  0.445724E-08 0.100000E-04    0.997890E+00
  24    0.175153E-05    0.363372E+03 -0.482021E-08 0.100000E-04    0.995915E+00
  25   -0.106796E-04    0.352165E+03  0.303256E-07 0.100000E-04    0.994863E+00
  26   -0.169442E-04    0.341324E+03  0.496427E-07 0.100000E-04    0.993749E+00
  27   -0.855641E-05    0.324456E+03  0.263715E-07 0.100000E-04    0.995316E+00
  28   -0.328632E-05    0.321998E+03  0.102060E-07 0.100000E-04    0.979097E+00
  29   -0.498720E-05    0.318343E+03  0.156661E-07 0.100000E-04    0.965892E+00
  30   -0.135267E-04    0.317088E+03  0.426593E-07 0.100000E-04    0.988146E+00
  31   -0.362584E-05    0.305198E+03  0.118803E-07 0.100000E-04    0.992603E+00
  32   -0.119914E-05    0.287489E+03  0.417107E-08 0.100000E-04    0.978220E+00
  33    0.564331E-05    0.279701E+03 -0.201763E-07 0.100000E-04    0.992822E+00
  34    0.290484E-05    0.271176E+03 -0.107120E-07 0.100000E-04    0.987463E+00
  35    0.161249E-04    0.265804E+03 -0.606645E-07 0.100000E-04    0.996077E+00
  36    0.414303E-05    0.262613E+03 -0.157762E-07 0.100000E-04    0.986885E+00
  37   -0.767277E-05    0.257925E+03  0.297480E-07 0.100000E-04    0.993359E+00
  38   -0.347507E-05    0.253493E+03  0.137088E-07 0.100000E-04    0.999484E+00
  39   -0.118248E-04    0.243346E+03  0.485926E-07 0.100000E-04    0.994733E+00
  40    0.757069E-05    0.238768E+03 -0.317072E-07 0.100000E-04    0.991957E+00
  41    0.957292E-05    0.234885E+03 -0.407557E-07 0.100000E-04    0.988632E+00
  42   -0.378563E-05    0.228636E+03  0.165575E-07 0.100000E-04    0.992926E+00
  43    0.333557E-05    0.223624E+03 -0.149160E-07 0.100000E-04    0.992704E+00
  44   -0.587391E-05    0.212706E+03  0.276152E-07 0.100000E-04    0.991557E+00
  45    0.371958E-05    0.211432E+03 -0.175923E-07 0.100000E-04    0.997561E+00
  46    0.849019E-05    0.209184E+03 -0.405872E-07 0.100000E-04    0.993782E+00
  47   -0.179785E-04    0.203062E+03  0.885370E-07 0.100000E-04    0.995300E+00
  48   -0.361647E-07    0.198316E+03  0.182359E-09 0.100000E-04    0.649850E+00
  49   -0.104042E-04    0.195486E+03  0.532221E-07 0.100000E-04    0.994135E+00
  50    0.676889E-05    0.191613E+03 -0.353258E-07 0.100000E-04    0.991236E+00
  51   -0.709041E-05    0.185991E+03  0.381224E-07 0.100000E-04    0.995609E+00
  52    0.164036E-06    0.177339E+03 -0.924985E-09 0.100000E-04    0.979272E+00
  53    0.683863E-05    0.170870E+03 -0.400224E-07 0.100000E-04    0.996306E+00
  54   -0.465547E-05    0.167987E+03  0.277132E-07 0.100000E-04    0.992008E+00
  55    0.133884E-04    0.165674E+03 -0.808117E-07 0.100000E-04    0.995919E+00
  56    0.462340E-05    0.160368E+03 -0.288299E-07 0.100000E-04    0.993770E+00
  57    0.261540E-05    0.153517E+03 -0.170365E-07 0.100000E-04    0.992085E+00
  58    0.111080E-04    0.150997E+03 -0.735642E-07 0.100000E-04    0.992881E+00
  59    0.645759E-05    0.148939E+03 -0.433572E-07 0.100000E-04    0.999121E+00
  60    0.116957E-04    0.142786E+03 -0.819110E-07 0.100000E-04    0.996495E+00
  61   -0.931800E-05    0.136934E+03  0.680473E-07 0.100000E-04    0.990902E+00
  62   -0.242093E-04    0.134989E+03  0.179343E-06 0.100000E-04    0.995550E+00
  63    0.159774E-04    0.130949E+03 -0.122013E-06 0.100000E-04    0.993688E+00
  64   -0.518454E-05    0.127661E+03  0.406120E-07 0.100000E-04    0.988306E+00
  65   -0.411857E-06    0.125914E+03  0.327094E-08 0.100000E-04    0.986424E+00
  66    0.178837E-04    0.124965E+03 -0.143110E-06 0.100000E-04    0.993995E+00
  67    0.148876E-05    0.119458E+03 -0.124626E-07 0.100000E-04    0.996193E+00
  68    0.517493E-05    0.117947E+03 -0.438752E-07 0.100000E-04    0.992958E+00
  69   -0.858456E-06    0.116600E+03  0.736239E-08 0.100000E-04    0.957539E+00
  70   -0.104281E-04    0.112216E+03  0.929294E-07 0.100000E-04    0.994129E+00
  71    0.880151E-06    0.109668E+03 -0.802558E-08 0.100000E-04    0.972383E+00
  72    0.238838E-04    0.105346E+03 -0.226717E-06 0.100000E-04    0.991779E+00
  73   -0.107862E-04    0.102861E+03  0.104861E-06 0.100000E-04    0.991128E+00
  74   -0.247301E-04    0.100261E+03  0.246657E-06 0.100000E-04    0.995121E+00
  75   -0.209596E-04    0.970929E+02  0.215872E-06 0.100000E-04    0.991615E+00
  76    0.219359E-04    0.950922E+02 -0.230680E-06 0.100000E-04    0.994960E+00
  77    0.390903E-04    0.910038E+02 -0.429546E-06 0.100000E-04    0.944354E+00
  78    0.157714E-04    0.909500E+02 -0.173407E-06 0.100000E-04    0.801459E+00
  79    0.317670E-04    0.888310E+02 -0.357612E-06 0.100000E-04    0.999455E+00
  80   -0.111483E-04    0.845548E+02  0.131847E-06 0.100000E-04    0.993476E+00
  81   -0.120040E-04    0.808888E+02  0.148402E-06 0.100000E-04    0.994056E+00
  82   -0.151037E-04    0.792951E+02  0.190475E-06 0.100000E-04    0.999815E+00
  83   -0.945701E-05    0.785858E+02  0.120340E-06 0.100000E-04    0.999269E+00
  84   -0.165218E-04    0.728678E+02  0.226737E-06 0.100000E-04    0.990441E+00
  85    0.277145E-04    0.715172E+02 -0.387522E-06 0.100000E-04    0.993277E+00
  86   -0.334120E-04    0.688702E+02  0.485144E-06 0.100000E-04    0.996685E+00
  87    0.104813E-05    0.678377E+02 -0.154506E-07 0.100000E-04    0.783545E+00
  88    0.138969E-05    0.634213E+02 -0.219120E-07 0.100000E-04    0.963773E+00
  89    0.317291E-04    0.618205E+02 -0.513245E-06 0.100000E-04    0.994060E+00
  90    0.151961E-04    0.596532E+02 -0.254742E-06 0.100000E-04    0.990772E+00
  91   -0.128431E-06    0.587491E+02  0.218610E-08 0.100000E-04    0.780779E+00
  92    0.376709E-04    0.558514E+02 -0.674484E-06 0.100000E-04    0.994663E+00
  93    0.371537E-04    0.534821E+02 -0.694695E-06 0.100000E-04    0.996769E+00
  94   -0.225602E-04    0.522441E+02  0.431822E-06 0.100000E-04    0.991105E+00
  95   -0.339819E-04    0.502902E+02  0.675716E-06 0.100000E-04    0.997877E+00
  96   -0.100853E-04    0.479686E+02  0.210248E-06 0.100000E-04    0.999485E+00
  97    0.253122E-04    0.433905E+02 -0.583357E-06 0.100000E-04    0.992714E+00
  98    0.183338E-04    0.399732E+02 -0.458651E-06 0.100000E-04    0.994002E+00
  99    0.503070E-04    0.371133E+02 -0.135550E-05 0.100000E-04    0.985591E+00
 100   -0.289990E-04    0.361676E+02  0.801795E-06 0.100000E-04    0.993810E+00
 101   -0.109252E-03    0.351836E+02  0.310521E-05 0.100000E-04    0.996806E+00
 102    0.563949E-04    0.290576E+02 -0.194080E-05 0.100000E-04    0.986665E+00
 103   -0.240553E-04    0.288827E+02  0.832860E-06 0.100000E-04    0.973566E+00
 104    0.436963E-04    0.287277E+02 -0.152105E-05 0.100000E-04    0.994774E+00
 105    0.287096E-04    0.231615E+02 -0.123954E-05 0.100000E-04    0.992843E+00
 106   -0.102834E-05    0.219359E+02  0.468791E-07 0.100000E-04    0.658785E+00
 107    0.113168E-03    0.196628E+02 -0.575543E-05 0.100000E-04    0.995431E+00
 108   -0.745307E-04    0.167561E+02  0.444798E-05 0.100000E-04    0.993642E+00
 109    0.726303E-04    0.137996E+02 -0.526323E-05 0.100000E-04    0.998875E+00
 110   -0.102742E-03    0.124287E+02  0.826654E-05 0.100000E-04    0.987006E+00
 111   -0.546212E-03    0.109066E+02  0.100000E-04 0.100000E-04    0.804388E+00
 112    0.858162E-05    0.951989E+01 -0.901441E-06 0.100000E-04    0.945737E+00
 113    0.758215E-02    0.760829E+01 -0.125876E-04 0.125876E-04    0.246784E-01
 114    0.339559E+00    0.479029E+01  0.400000E-03 0.400000E-03    0.207952E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7053209952E-01

 Beginning of optimization cycle  158.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3908864077
 potential> RMS force:                                               0.0319897351   |gradient|=.3415569046    
 Eigenvalues of the Hessian matrix:
   722.96256    671.55774    624.54050    604.11052    589.57007    565.27724 
   563.80811    479.11690    468.99073    462.74910    441.38685    431.12793 
   420.80893    406.31635    398.15648    388.61318    367.06912    363.36177 
   352.15624    341.28584    324.46265    321.98748    318.34859    317.07612 
   305.19444    287.49276    279.69604    271.17036    265.80646    262.62297 
   257.93119    253.49469    243.33524    238.75538    234.89721    228.63744 
   223.60503    212.70751    211.43759    209.17131    203.06506    198.31140 
   195.48705    191.61322    185.98223    177.32511    170.87435    167.98417 
   165.67216    160.36307    153.51561    150.99595    148.94431    142.78901 
   136.93457    134.99408    130.94761    127.66035    125.91717    124.97084 
   119.45937    117.94691    116.60344    112.20818    109.65806    105.34249 
   102.86240    100.25713     97.08922     95.09296     91.01032     90.94559 
    88.84225     84.55658     80.88902     79.29872     78.58360     72.86542 
    71.52052     68.86092     67.83957     63.42045     61.81184     59.65308 
    58.75192     55.85225     53.47855     52.24348     50.28960     47.96757 
    43.38614     39.97581     37.10877     36.16485     35.19100     29.05118 
    28.87938     28.72745     23.15736     21.93612     19.66535     16.75753 
    13.79882     12.42651     10.89454      9.52159      7.60813      4.78908 
overlap for current and previous eigenvector    109 is        -0.9999982410
overlap for current and previous eigenvector    110 is         0.9999972387
overlap for current and previous eigenvector    111 is         0.9999943702
overlap for current and previous eigenvector    112 is         0.9999987478
overlap for current and previous eigenvector    113 is         0.9999989394
overlap for current and previous eigenvector    114 is         0.9999994859
J1,K1,R1,R2,RAT=   7   7   -0.2567484011E-01     2.025508740        0.9743251599    
FOB,PFOB,DIAG,PSTEP=   -0.4746890957E-06   -0.4628056478E-06     722.9625600        0.6402047805E-09
J1,K1,R1,R2,RAT=   8   8   -0.1709732362E-01     2.017052846        0.9829026764    
FOB,PFOB,DIAG,PSTEP=   -0.1587248818E-05   -0.1560566710E-05     671.5577450        0.2323852904E-08
J1,K1,R1,R2,RAT=   9   9   -0.8672535103E-02     2.008615536        0.9913274649    
FOB,PFOB,DIAG,PSTEP=    0.7652149004E-06    0.7586354206E-06     624.5404972       -0.1214744352E-08
J1,K1,R1,R2,RAT=  10  10    0.3289179263E-02     1.996679097        0.9966790968    
FOB,PFOB,DIAG,PSTEP=    0.1514533380E-05    0.1519531471E-05     604.1105195       -0.2515360228E-08
J1,K1,R1,R2,RAT=  11  11    0.1453764004E-03     1.999867936        0.9998546236    
FOB,PFOB,DIAG,PSTEP=   -0.1030531701E-05   -0.1030681537E-05     589.5700664        0.1748180133E-08
J1,K1,R1,R2,RAT= 109 109     2.001849083       -0.1739784304E-02    0.9982602157    
FOB,PFOB,DIAG,PSTEP=   -0.7275666064E-04    0.7263030647E-04     13.79882302       -0.5263226973E-05
J1,K1,R1,R2,RAT= 110 110   -0.6045714966E-02     2.006400239        0.9939542850    
FOB,PFOB,DIAG,PSTEP=   -0.1033634936E-03   -0.1027424521E-03     12.42650635        0.8266542511E-05
J1,K1,R1,R2,RAT= 111 111   -0.2042591458         10.23151484        0.7957408542    
FOB,PFOB,DIAG,PSTEP=   -0.5684648086E-03   -0.5462117133E-03     10.89454044        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.2312049006E-03     1.999874002        0.9997687951    
FOB,PFOB,DIAG,PSTEP=    0.8583600242E-05    0.8581615776E-05     9.521586416       -0.9014410375E-06
J1,K1,R1,R2,RAT= 113 113   -0.8108568751         159.1543246        0.1891431249    
FOB,PFOB,DIAG,PSTEP=    0.7659800200E-02    0.7582145781E-02     7.608129883       -0.1258763253E-04
J1,K1,R1,R2,RAT= 114 114    0.9979105979        -355.5118068        0.2089402115E-02
FOB,PFOB,DIAG,PSTEP=    0.3414704204        0.3395587926         4.789075918        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002     -0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001      0.00000      0.00000      0.00001      0.00001     -0.00001 
    -0.00001      0.00002     -0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000     -0.00001      0.00000     -0.00002 
     0.00001      0.00002     -0.00002      0.00002      0.00004      0.00001 
     0.00003     -0.00001     -0.00001     -0.00002     -0.00001      0.00002 
    -0.00003      0.00003     -0.00000     -0.00000     -0.00003     -0.00002 
     0.00000     -0.00004     -0.00004      0.00002     -0.00003     -0.00001 
    -0.00003      0.00002      0.00005     -0.00003      0.00011      0.00006 
    -0.00002     -0.00004     -0.00003     -0.00000      0.00011      0.00007 
    -0.00007     -0.00010     -0.00057      0.00001      0.00766      0.34147 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387490781
 Log product of positive Hessian eigenvalues =          520.3291190971
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7890759183
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000024
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=       -0.0000000013
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000047
 Unscaled step for mode   17=       -0.0000000044
 Unscaled step for mode   18=       -0.0000000090
 Unscaled step for mode   19=       -0.0000000209
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000147
 Unscaled step for mode   22=       -0.0000000024
 Unscaled step for mode   23=        0.0000000044
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000305
 Unscaled step for mode   26=        0.0000000499
 Unscaled step for mode   27=        0.0000000265
 Unscaled step for mode   28=        0.0000000100
 Unscaled step for mode   29=        0.0000000152
 Unscaled step for mode   30=        0.0000000432
 Unscaled step for mode   31=        0.0000000120
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000203
 Unscaled step for mode   34=       -0.0000000108
 Unscaled step for mode   35=       -0.0000000610
 Unscaled step for mode   36=       -0.0000000160
 Unscaled step for mode   37=        0.0000000300
 Unscaled step for mode   38=        0.0000000138
 Unscaled step for mode   39=        0.0000000488
 Unscaled step for mode   40=       -0.0000000320
 Unscaled step for mode   41=       -0.0000000412
 Unscaled step for mode   42=        0.0000000167
 Unscaled step for mode   43=       -0.0000000151
 Unscaled step for mode   44=        0.0000000281
 Unscaled step for mode   45=       -0.0000000175
 Unscaled step for mode   46=       -0.0000000410
 Unscaled step for mode   47=        0.0000000891
 Unscaled step for mode   48=        0.0000000001
 Unscaled step for mode   49=        0.0000000537
 Unscaled step for mode   50=       -0.0000000354
 Unscaled step for mode   51=        0.0000000384
 Unscaled step for mode   52=       -0.0000000009
 Unscaled step for mode   53=       -0.0000000402
 Unscaled step for mode   54=        0.0000000281
 Unscaled step for mode   55=       -0.0000000812
 Unscaled step for mode   56=       -0.0000000289
 Unscaled step for mode   57=       -0.0000000172
 Unscaled step for mode   58=       -0.0000000740
 Unscaled step for mode   59=       -0.0000000436
 Unscaled step for mode   60=        0.0000000825
 Unscaled step for mode   61=        0.0000000684
 Unscaled step for mode   62=       -0.0000001800
 Unscaled step for mode   63=        0.0000001224
 Unscaled step for mode   64=       -0.0000000412
 Unscaled step for mode   65=       -0.0000000030
 Unscaled step for mode   66=        0.0000001437
 Unscaled step for mode   67=       -0.0000000127
 Unscaled step for mode   68=       -0.0000000441
 Unscaled step for mode   69=        0.0000000075
 Unscaled step for mode   70=        0.0000000939
 Unscaled step for mode   71=       -0.0000000082
 Unscaled step for mode   72=        0.0000002279
 Unscaled step for mode   73=       -0.0000001059
 Unscaled step for mode   74=       -0.0000002474
 Unscaled step for mode   75=        0.0000002181
 Unscaled step for mode   76=       -0.0000002320
 Unscaled step for mode   77=       -0.0000004440
 Unscaled step for mode   78=       -0.0000001427
 Unscaled step for mode   79=       -0.0000003571
 Unscaled step for mode   80=        0.0000001329
 Unscaled step for mode   81=        0.0000001491
 Unscaled step for mode   82=        0.0000001900
 Unscaled step for mode   83=        0.0000001213
 Unscaled step for mode   84=       -0.0000002280
 Unscaled step for mode   85=        0.0000003889
 Unscaled step for mode   86=       -0.0000004865
 Unscaled step for mode   87=        0.0000000189
 Unscaled step for mode   88=        0.0000000217
 Unscaled step for mode   89=        0.0000005157
 Unscaled step for mode   90=        0.0000002553
 Unscaled step for mode   91=       -0.0000000024
 Unscaled step for mode   92=        0.0000006790
 Unscaled step for mode   93=        0.0000006950
 Unscaled step for mode   94=       -0.0000004339
 Unscaled step for mode   95=        0.0000006757
 Unscaled step for mode   96=        0.0000002114
 Unscaled step for mode   97=        0.0000005854
 Unscaled step for mode   98=       -0.0000004612
 Unscaled step for mode   99=       -0.0000013679
 Unscaled step for mode  100=        0.0000007962
 Unscaled step for mode  101=       -0.0000031126
 Unscaled step for mode  102=       -0.0000019572
 Unscaled step for mode  103=        0.0000008104
 Unscaled step for mode  104=        0.0000015210
 Unscaled step for mode  105=        0.0000012486
 Unscaled step for mode  106=        0.0000000347
 Unscaled step for mode  107=       -0.0000057690
 Unscaled step for mode  108=       -0.0000044332
 Unscaled step for mode  109=        0.0000052727
 Unscaled step for mode  110=        0.0000083180
 Unscaled step for mode  111=        0.0000521789
 Unscaled step for mode  112=       -0.0000009015
 Unscaled step for mode  113=       -0.0010067904
 Unscaled step for mode  114=        0.0709430864
 Largest modulus ratio of non-zero e/values=           150.9607641    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.412431E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.472278E-15    0.100754E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.391603E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.495264E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.277989E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.732216E-15    0.973609E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.474689E-06    0.722963E+03  0.656589E-09 0.100000E-04    0.974325E+00
   8   -0.158725E-05    0.671558E+03  0.236353E-08 0.100000E-04    0.982903E+00
   9    0.765215E-06    0.624540E+03 -0.122524E-08 0.100000E-04    0.991327E+00
  10    0.151453E-05    0.604111E+03 -0.250705E-08 0.100000E-04    0.996679E+00
  11   -0.103053E-05    0.589570E+03  0.174794E-08 0.100000E-04    0.999855E+00
  12    0.324153E-05    0.565277E+03 -0.573440E-08 0.100000E-04    0.997040E+00
  13    0.752296E-06    0.563808E+03 -0.133431E-08 0.100000E-04    0.943125E+00
  14   -0.567693E-05    0.479117E+03  0.118487E-07 0.100000E-04    0.998603E+00
  15    0.179381E-05    0.468991E+03 -0.382482E-08 0.100000E-04    0.994077E+00
  16    0.216128E-05    0.462749E+03 -0.467053E-08 0.100000E-04    0.993549E+00
  17    0.192379E-05    0.441387E+03 -0.435852E-08 0.100000E-04    0.996414E+00
  18    0.389148E-05    0.431128E+03 -0.902627E-08 0.100000E-04    0.995606E+00
  19    0.877446E-05    0.420809E+03 -0.208514E-07 0.100000E-04    0.995344E+00
  20    0.871640E-05    0.406316E+03 -0.214523E-07 0.100000E-04    0.999668E+00
  21    0.583521E-05    0.398156E+03 -0.146556E-07 0.100000E-04    0.996779E+00
  22    0.931887E-06    0.388613E+03 -0.239798E-08 0.100000E-04    0.974304E+00
  23   -0.162437E-05    0.367069E+03  0.442524E-08 0.100000E-04    0.992814E+00
  24    0.174579E-05    0.363362E+03 -0.480455E-08 0.100000E-04    0.996724E+00
  25   -0.107375E-04    0.352156E+03  0.304907E-07 0.100000E-04    0.994581E+00
  26   -0.170446E-04    0.341286E+03  0.499423E-07 0.100000E-04    0.994076E+00
  27   -0.860655E-05    0.324463E+03  0.265255E-07 0.100000E-04    0.994141E+00
  28   -0.322114E-05    0.321987E+03  0.100039E-07 0.100000E-04    0.980166E+00
  29   -0.484081E-05    0.318349E+03  0.152060E-07 0.100000E-04    0.970610E+00
  30   -0.136985E-04    0.317076E+03  0.432026E-07 0.100000E-04    0.987300E+00
  31   -0.367590E-05    0.305194E+03  0.120444E-07 0.100000E-04    0.986193E+00
  32   -0.121752E-05    0.287493E+03  0.423497E-08 0.100000E-04    0.984666E+00
  33    0.566834E-05    0.279696E+03 -0.202661E-07 0.100000E-04    0.995565E+00
  34    0.291998E-05    0.271170E+03 -0.107681E-07 0.100000E-04    0.994785E+00
  35    0.162137E-04    0.265806E+03 -0.609980E-07 0.100000E-04    0.994496E+00
  36    0.419112E-05    0.262623E+03 -0.159587E-07 0.100000E-04    0.988394E+00
  37   -0.772777E-05    0.257931E+03  0.299606E-07 0.100000E-04    0.992833E+00
  38   -0.349308E-05    0.253495E+03  0.137797E-07 0.100000E-04    0.994819E+00
  39   -0.118747E-04    0.243335E+03  0.487996E-07 0.100000E-04    0.995784E+00
  40    0.764744E-05    0.238755E+03 -0.320304E-07 0.100000E-04    0.989862E+00
  41    0.968332E-05    0.234897E+03 -0.412237E-07 0.100000E-04    0.988467E+00
  42   -0.382019E-05    0.228637E+03  0.167085E-07 0.100000E-04    0.990872E+00
  43    0.337944E-05    0.223605E+03 -0.151134E-07 0.100000E-04    0.986847E+00
  44   -0.598685E-05    0.212708E+03  0.281459E-07 0.100000E-04    0.980771E+00
  45    0.370367E-05    0.211438E+03 -0.175166E-07 0.100000E-04    0.995675E+00
  46    0.857505E-05    0.209171E+03 -0.409954E-07 0.100000E-04    0.990004E+00
  47   -0.180994E-04    0.203065E+03  0.891311E-07 0.100000E-04    0.993275E+00
  48   -0.126121E-07    0.198311E+03  0.635973E-10 0.100000E-04    0.348727E+00
  49   -0.104929E-04    0.195487E+03  0.536756E-07 0.100000E-04    0.991472E+00
  50    0.677460E-05    0.191613E+03 -0.353556E-07 0.100000E-04    0.999157E+00
  51   -0.714922E-05    0.185982E+03  0.384403E-07 0.100000E-04    0.991706E+00
  52    0.153244E-06    0.177325E+03 -0.864197E-09 0.100000E-04    0.934201E+00
  53    0.687603E-05    0.170874E+03 -0.402403E-07 0.100000E-04    0.994532E+00
  54   -0.471524E-05    0.167984E+03  0.280696E-07 0.100000E-04    0.987160E+00
  55    0.134578E-04    0.165672E+03 -0.812314E-07 0.100000E-04    0.994815E+00
  56    0.462922E-05    0.160363E+03 -0.288671E-07 0.100000E-04    0.998741E+00
  57    0.264426E-05    0.153516E+03 -0.172247E-07 0.100000E-04    0.988965E+00
  58    0.111723E-04    0.150996E+03 -0.739905E-07 0.100000E-04    0.994211E+00
  59    0.648951E-05    0.148944E+03 -0.435701E-07 0.100000E-04    0.995057E+00
  60   -0.117849E-04    0.142789E+03  0.825339E-07 0.100000E-04    0.992371E+00
  61   -0.937133E-05    0.136935E+03  0.684365E-07 0.100000E-04    0.994277E+00
  62    0.242935E-04    0.134994E+03 -0.179960E-06 0.100000E-04    0.996519E+00
  63   -0.160252E-04    0.130948E+03  0.122378E-06 0.100000E-04    0.997012E+00
  64    0.525698E-05    0.127660E+03 -0.411794E-07 0.100000E-04    0.986028E+00
  65    0.380822E-06    0.125917E+03 -0.302438E-08 0.100000E-04    0.924599E+00
  66   -0.179569E-04    0.124971E+03  0.143689E-06 0.100000E-04    0.995905E+00
  67    0.151466E-05    0.119459E+03 -0.126793E-07 0.100000E-04    0.982602E+00
  68    0.520358E-05    0.117947E+03 -0.441180E-07 0.100000E-04    0.994464E+00
  69   -0.875848E-06    0.116603E+03  0.751134E-08 0.100000E-04    0.979740E+00
  70   -0.105344E-04    0.112208E+03  0.938831E-07 0.100000E-04    0.989803E+00
  71    0.897868E-06    0.109658E+03 -0.818789E-08 0.100000E-04    0.979868E+00
  72   -0.240113E-04    0.105342E+03  0.227936E-06 0.100000E-04    0.994659E+00
  73    0.108917E-04    0.102862E+03 -0.105886E-06 0.100000E-04    0.990212E+00
  74    0.248000E-04    0.100257E+03 -0.247364E-06 0.100000E-04    0.997174E+00
  75   -0.211720E-04    0.970892E+02  0.218068E-06 0.100000E-04    0.989864E+00
  76    0.220589E-04    0.950930E+02 -0.231972E-06 0.100000E-04    0.994391E+00
  77    0.404096E-04    0.910103E+02 -0.444011E-06 0.100000E-04    0.966252E+00
  78    0.129796E-04    0.909456E+02 -0.142718E-06 0.100000E-04    0.822975E+00
  79    0.317291E-04    0.888423E+02 -0.357140E-06 0.100000E-04    0.998555E+00
  80   -0.112373E-04    0.845566E+02  0.132897E-06 0.100000E-04    0.992016E+00
  81   -0.120596E-04    0.808890E+02  0.149088E-06 0.100000E-04    0.995374E+00
  82   -0.150630E-04    0.792987E+02  0.189953E-06 0.100000E-04    0.997216E+00
  83   -0.952956E-05    0.785836E+02  0.121267E-06 0.100000E-04    0.992328E+00
  84    0.166149E-04    0.728654E+02 -0.228022E-06 0.100000E-04    0.994367E+00
  85   -0.278119E-04    0.715205E+02  0.388866E-06 0.100000E-04    0.996485E+00
  86    0.334996E-04    0.688609E+02 -0.486483E-06 0.100000E-04    0.997375E+00
  87   -0.128290E-05    0.678396E+02  0.189107E-07 0.100000E-04    0.776025E+00
  88   -0.137557E-05    0.634204E+02  0.216896E-07 0.100000E-04    0.989838E+00
  89   -0.318782E-04    0.618118E+02  0.515729E-06 0.100000E-04    0.995300E+00
  90   -0.152306E-04    0.596531E+02  0.255320E-06 0.100000E-04    0.997732E+00
  91    0.141814E-06    0.587519E+02 -0.241378E-08 0.100000E-04    0.895802E+00
  92   -0.379243E-04    0.558523E+02  0.679012E-06 0.100000E-04    0.993271E+00
  93   -0.371698E-04    0.534785E+02  0.695042E-06 0.100000E-04    0.999567E+00
  94    0.226702E-04    0.522435E+02 -0.433934E-06 0.100000E-04    0.995121E+00
  95   -0.339787E-04    0.502896E+02  0.675660E-06 0.100000E-04    0.999904E+00
  96   -0.101391E-04    0.479676E+02  0.211375E-06 0.100000E-04    0.994665E+00
  97   -0.253971E-04    0.433861E+02  0.585373E-06 0.100000E-04    0.996646E+00
  98    0.184357E-04    0.399758E+02 -0.461171E-06 0.100000E-04    0.994443E+00
  99    0.507623E-04    0.371088E+02 -0.136793E-05 0.100000E-04    0.990949E+00
 100   -0.287929E-04    0.361648E+02  0.796158E-06 0.100000E-04    0.992893E+00
 101    0.109535E-03    0.351910E+02 -0.311258E-05 0.100000E-04    0.997415E+00
 102    0.568582E-04    0.290512E+02 -0.195717E-05 0.100000E-04    0.991782E+00
 103   -0.234048E-04    0.288794E+02  0.810432E-06 0.100000E-04    0.972955E+00
 104   -0.436955E-04    0.287275E+02  0.152104E-05 0.100000E-04    0.999982E+00
 105   -0.289148E-04    0.231574E+02  0.124862E-05 0.100000E-04    0.992851E+00
 106   -0.760445E-06    0.219361E+02  0.346663E-07 0.100000E-04    0.739473E+00
 107    0.113450E-03    0.196654E+02 -0.576903E-05 0.100000E-04    0.997505E+00
 108    0.742891E-04    0.167575E+02 -0.443318E-05 0.100000E-04    0.996584E+00
 109   -0.727567E-04    0.137988E+02  0.527267E-05 0.100000E-04    0.998260E+00
 110   -0.103363E-03    0.124265E+02  0.831799E-05 0.100000E-04    0.993954E+00
 111   -0.568465E-03    0.108945E+02  0.100000E-04 0.100000E-04    0.795741E+00
 112    0.858360E-05    0.952159E+01 -0.901488E-06 0.100000E-04    0.999769E+00
 113    0.765980E-02    0.760813E+01 -0.137205E-04 0.137205E-04    0.189143E+00
 114    0.341470E+00    0.478908E+01  0.400000E-03 0.400000E-03    0.208940E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7094308639E-01

 Beginning of optimization cycle  159.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3907495476
 potential> RMS force:                                               0.0321688305   |gradient|=.3434691203    
 Eigenvalues of the Hessian matrix:
   723.02257    671.57255    624.55819    604.12011    589.56598    565.29868 
   563.84517    479.13547    468.96792    462.73891    441.38527    431.11839 
   420.81660    406.32724    398.15257    388.61658    367.07195    363.35165 
   352.14785    341.24809    324.46887    321.97731    318.35498    317.06386 
   305.19083    287.49656    279.69130    271.16481    265.80850    262.63260 
   257.93722    253.49690    243.32505    238.74230    234.90897    228.63937 
   223.58592    212.70933    211.44281    209.15847    203.06816    198.30728 
   195.48854    191.61309    185.97375    177.31071    170.87851    167.98087 
   165.67070    160.35787    153.51397    150.99488    148.94933    142.79244 
   136.93496    134.99940    130.94625    127.66020    125.92014    124.97701 
   119.46035    117.94711    116.60671    112.20073    109.64787    105.33872 
   102.86349    100.25301     97.08546     95.09370     91.01740     90.94070 
    88.85345     84.55841     80.88926     79.30231     78.58145     72.86304 
    71.52379     68.85165     67.84132     63.41959     61.80309     59.65300 
    58.75474     55.85315     53.47499     52.24281     50.28897     47.96646 
    43.38179     39.97836     37.10437     36.16189     35.19841     29.04496 
    28.87590     28.72716     23.15323     21.93632     19.66795     16.75896 
    13.79808     12.42433     10.88244      9.52329      7.60793      4.78782 
overlap for current and previous eigenvector    109 is         0.9999982613
overlap for current and previous eigenvector    110 is         0.9999973020
overlap for current and previous eigenvector    111 is         0.9999944057
overlap for current and previous eigenvector    112 is         0.9999987029
overlap for current and previous eigenvector    113 is         0.9999989290
overlap for current and previous eigenvector    114 is        -0.9999994886
J1,K1,R1,R2,RAT=   7   7   -0.2434885944E-01     2.024182869        0.9756511406    
FOB,PFOB,DIAG,PSTEP=   -0.4862481932E-06   -0.4746890957E-06     723.0225675        0.6565887668E-09
J1,K1,R1,R2,RAT=   8   8   -0.1743427969E-01     2.017390191        0.9825657203    
FOB,PFOB,DIAG,PSTEP=   -0.1614921968E-05   -0.1587248818E-05     671.5725492        0.2363532890E-08
J1,K1,R1,R2,RAT=   9   9   -0.8639710392E-02     2.008583056        0.9913602896    
FOB,PFOB,DIAG,PSTEP=    0.7718263228E-06    0.7652149004E-06     624.5581893       -0.1225244646E-08
J1,K1,R1,R2,RAT=  10  10    0.3568558987E-02     1.996399703        0.9963997028    
FOB,PFOB,DIAG,PSTEP=    0.1509128593E-05    0.1514533380E-05     604.1201064       -0.2507046858E-08
J1,K1,R1,R2,RAT=  11  11    0.5949424285E-03     1.999418920        0.9994050576    
FOB,PFOB,DIAG,PSTEP=   -0.1029918599E-05   -0.1030531701E-05     589.5659800        0.1747937625E-08
J1,K1,R1,R2,RAT= 109 109   -0.1829478019E-02     2.001937527        0.9981705220    
FOB,PFOB,DIAG,PSTEP=   -0.7288976016E-04   -0.7275666064E-04     13.79807759        0.5272671484E-05
J1,K1,R1,R2,RAT= 110 110   -0.5227318768E-02     2.005577250        0.9947726812    
FOB,PFOB,DIAG,PSTEP=   -0.1039037130E-03   -0.1033634936E-03     12.42433252        0.8317985016E-05
J1,K1,R1,R2,RAT= 111 111   -0.2139381026         10.66131514        0.7860618974    
FOB,PFOB,DIAG,PSTEP=   -0.5917464958E-03   -0.5684648086E-03     10.88244076        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4921136630E-02     2.004564212        0.9950788634    
FOB,PFOB,DIAG,PSTEP=    0.8625848852E-05    0.8583600242E-05     9.523285964       -0.9014884565E-06
J1,K1,R1,R2,RAT= 113 113   -0.6615890169         147.4224099        0.3384109831    
FOB,PFOB,DIAG,PSTEP=    0.7728860044E-02    0.7659800200E-02     7.607934256       -0.1372051946E-04
J1,K1,R1,R2,RAT= 114 114    -357.6008084        0.9979009989        0.2099001089E-02
FOB,PFOB,DIAG,PSTEP=   -0.3433815303        0.3414704204         4.787824403        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
    -0.00001     -0.00000      0.00000      0.00001     -0.00001     -0.00001 
    -0.00001     -0.00002     -0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001      0.00000      0.00001      0.00000      0.00002 
     0.00001     -0.00002      0.00002     -0.00002     -0.00004      0.00001 
     0.00003      0.00001      0.00001     -0.00002      0.00001      0.00002 
    -0.00003      0.00003      0.00000     -0.00000      0.00003      0.00002 
    -0.00000     -0.00004     -0.00004      0.00002     -0.00003      0.00001 
    -0.00003     -0.00002     -0.00005     -0.00003     -0.00011     -0.00006 
     0.00002      0.00004      0.00003      0.00000      0.00011     -0.00007 
    -0.00007     -0.00010     -0.00059      0.00001      0.00773     -0.34338 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387562813
 Log product of positive Hessian eigenvalues =          520.3269356143
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7878244029
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000024
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000017
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000013
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000047
 Unscaled step for mode   17=       -0.0000000044
 Unscaled step for mode   18=       -0.0000000091
 Unscaled step for mode   19=       -0.0000000209
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000147
 Unscaled step for mode   22=       -0.0000000025
 Unscaled step for mode   23=        0.0000000044
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000307
 Unscaled step for mode   26=        0.0000000502
 Unscaled step for mode   27=        0.0000000267
 Unscaled step for mode   28=        0.0000000098
 Unscaled step for mode   29=        0.0000000148
 Unscaled step for mode   30=        0.0000000437
 Unscaled step for mode   31=        0.0000000122
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000204
 Unscaled step for mode   34=       -0.0000000108
 Unscaled step for mode   35=       -0.0000000613
 Unscaled step for mode   36=       -0.0000000161
 Unscaled step for mode   37=        0.0000000302
 Unscaled step for mode   38=        0.0000000139
 Unscaled step for mode   39=        0.0000000490
 Unscaled step for mode   40=       -0.0000000324
 Unscaled step for mode   41=       -0.0000000417
 Unscaled step for mode   42=        0.0000000169
 Unscaled step for mode   43=       -0.0000000153
 Unscaled step for mode   44=        0.0000000287
 Unscaled step for mode   45=       -0.0000000174
 Unscaled step for mode   46=       -0.0000000414
 Unscaled step for mode   47=        0.0000000897
 Unscaled step for mode   48=       -0.0000000001
 Unscaled step for mode   49=        0.0000000541
 Unscaled step for mode   50=       -0.0000000354
 Unscaled step for mode   51=        0.0000000388
 Unscaled step for mode   52=       -0.0000000008
 Unscaled step for mode   53=       -0.0000000405
 Unscaled step for mode   54=        0.0000000284
 Unscaled step for mode   55=        0.0000000817
 Unscaled step for mode   56=        0.0000000289
 Unscaled step for mode   57=       -0.0000000174
 Unscaled step for mode   58=       -0.0000000744
 Unscaled step for mode   59=        0.0000000438
 Unscaled step for mode   60=        0.0000000832
 Unscaled step for mode   61=        0.0000000688
 Unscaled step for mode   62=        0.0000001806
 Unscaled step for mode   63=        0.0000001227
 Unscaled step for mode   64=       -0.0000000417
 Unscaled step for mode   65=       -0.0000000028
 Unscaled step for mode   66=        0.0000001443
 Unscaled step for mode   67=       -0.0000000129
 Unscaled step for mode   68=       -0.0000000444
 Unscaled step for mode   69=       -0.0000000077
 Unscaled step for mode   70=       -0.0000000949
 Unscaled step for mode   71=       -0.0000000084
 Unscaled step for mode   72=       -0.0000002291
 Unscaled step for mode   73=       -0.0000001069
 Unscaled step for mode   74=        0.0000002480
 Unscaled step for mode   75=       -0.0000002203
 Unscaled step for mode   76=        0.0000002333
 Unscaled step for mode   77=        0.0000004538
 Unscaled step for mode   78=       -0.0000001207
 Unscaled step for mode   79=       -0.0000003566
 Unscaled step for mode   80=       -0.0000001340
 Unscaled step for mode   81=       -0.0000001498
 Unscaled step for mode   82=        0.0000001894
 Unscaled step for mode   83=       -0.0000001222
 Unscaled step for mode   84=       -0.0000002293
 Unscaled step for mode   85=        0.0000003901
 Unscaled step for mode   86=       -0.0000004878
 Unscaled step for mode   87=       -0.0000000224
 Unscaled step for mode   88=        0.0000000214
 Unscaled step for mode   89=       -0.0000005181
 Unscaled step for mode   90=       -0.0000002557
 Unscaled step for mode   91=        0.0000000027
 Unscaled step for mode   92=        0.0000006836
 Unscaled step for mode   93=        0.0000006953
 Unscaled step for mode   94=       -0.0000004360
 Unscaled step for mode   95=        0.0000006755
 Unscaled step for mode   96=       -0.0000002126
 Unscaled step for mode   97=        0.0000005871
 Unscaled step for mode   98=        0.0000004637
 Unscaled step for mode   99=        0.0000013799
 Unscaled step for mode  100=        0.0000007907
 Unscaled step for mode  101=        0.0000031196
 Unscaled step for mode  102=        0.0000019729
 Unscaled step for mode  103=       -0.0000007873
 Unscaled step for mode  104=       -0.0000015207
 Unscaled step for mode  105=       -0.0000012568
 Unscaled step for mode  106=       -0.0000000214
 Unscaled step for mode  107=       -0.0000057817
 Unscaled step for mode  108=        0.0000044197
 Unscaled step for mode  109=        0.0000052826
 Unscaled step for mode  110=        0.0000083629
 Unscaled step for mode  111=        0.0000543763
 Unscaled step for mode  112=       -0.0000009058
 Unscaled step for mode  113=       -0.0010158936
 Unscaled step for mode  114=       -0.0713545825
 Largest modulus ratio of non-zero e/values=           151.0127579    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.388144E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.367761E-15    0.100754E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.185536E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.650955E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.131839E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.221719E-15    0.973611E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.486248E-06    0.723023E+03  0.672521E-09 0.100000E-04    0.975651E+00
   8   -0.161492E-05    0.671573E+03  0.240469E-08 0.100000E-04    0.982566E+00
   9    0.771826E-06    0.624558E+03 -0.123580E-08 0.100000E-04    0.991360E+00
  10    0.150913E-05    0.604120E+03 -0.249806E-08 0.100000E-04    0.996400E+00
  11   -0.102992E-05    0.589566E+03  0.174691E-08 0.100000E-04    0.999405E+00
  12    0.325093E-05    0.565299E+03 -0.575081E-08 0.100000E-04    0.997101E+00
  13    0.705558E-06    0.563845E+03 -0.125133E-08 0.100000E-04    0.937745E+00
  14   -0.566934E-05    0.479135E+03  0.118324E-07 0.100000E-04    0.998587E+00
  15    0.180509E-05    0.468968E+03 -0.384906E-08 0.100000E-04    0.993711E+00
  16    0.217505E-05    0.462739E+03 -0.470039E-08 0.100000E-04    0.993628E+00
  17    0.192993E-05    0.441385E+03 -0.437244E-08 0.100000E-04    0.996810E+00
  18    0.390788E-05    0.431118E+03 -0.906451E-08 0.100000E-04    0.995786E+00
  19    0.881495E-05    0.420817E+03 -0.209473E-07 0.100000E-04    0.995385E+00
  20    0.871767E-05    0.406327E+03 -0.214548E-07 0.100000E-04    0.999855E+00
  21    0.585252E-05    0.398153E+03 -0.146992E-07 0.100000E-04    0.997033E+00
  22    0.955790E-06    0.388617E+03 -0.245947E-08 0.100000E-04    0.974351E+00
  23   -0.161193E-05    0.367072E+03  0.439133E-08 0.100000E-04    0.992329E+00
  24    0.173884E-05    0.363352E+03 -0.478557E-08 0.100000E-04    0.996021E+00
  25   -0.107960E-04    0.352148E+03  0.306576E-07 0.100000E-04    0.994551E+00
  26   -0.171437E-04    0.341248E+03  0.502383E-07 0.100000E-04    0.994183E+00
  27   -0.865678E-05    0.324469E+03  0.266798E-07 0.100000E-04    0.994164E+00
  28   -0.315707E-05    0.321977E+03  0.980526E-08 0.100000E-04    0.980110E+00
  29   -0.469687E-05    0.318355E+03  0.147536E-07 0.100000E-04    0.970225E+00
  30   -0.138675E-04    0.317064E+03  0.437373E-07 0.100000E-04    0.987662E+00
  31   -0.372676E-05    0.305191E+03  0.122112E-07 0.100000E-04    0.986164E+00
  32   -0.123566E-05    0.287497E+03  0.429798E-08 0.100000E-04    0.985108E+00
  33    0.569255E-05    0.279691E+03 -0.203530E-07 0.100000E-04    0.995728E+00
  34    0.293290E-05    0.271165E+03 -0.108159E-07 0.100000E-04    0.995577E+00
  35    0.163047E-04    0.265809E+03 -0.613402E-07 0.100000E-04    0.994383E+00
  36    0.423940E-05    0.262633E+03 -0.161419E-07 0.100000E-04    0.988480E+00
  37   -0.778214E-05    0.257937E+03  0.301707E-07 0.100000E-04    0.992964E+00
  38   -0.351111E-05    0.253497E+03  0.138507E-07 0.100000E-04    0.994837E+00
  39   -0.119235E-04    0.243325E+03  0.490023E-07 0.100000E-04    0.995887E+00
  40    0.772540E-05    0.238742E+03 -0.323588E-07 0.100000E-04    0.989805E+00
  41    0.979555E-05    0.234909E+03 -0.416994E-07 0.100000E-04    0.988411E+00
  42   -0.385740E-05    0.228639E+03  0.168711E-07 0.100000E-04    0.990259E+00
  43    0.342552E-05    0.223586E+03 -0.153208E-07 0.100000E-04    0.986361E+00
  44   -0.610418E-05    0.212709E+03  0.286973E-07 0.100000E-04    0.980403E+00
  45    0.368582E-05    0.211443E+03 -0.174318E-07 0.100000E-04    0.995130E+00
  46    0.866133E-05    0.209158E+03 -0.414104E-07 0.100000E-04    0.989938E+00
  47   -0.182211E-04    0.203068E+03  0.897290E-07 0.100000E-04    0.993276E+00
  48    0.112720E-07    0.198307E+03 -0.568408E-10 0.100000E-04    0.893741E+00
  49   -0.105826E-04    0.195489E+03  0.541339E-07 0.100000E-04    0.991454E+00
  50    0.677589E-05    0.191613E+03 -0.353624E-07 0.100000E-04    0.999809E+00
  51   -0.720948E-05    0.185974E+03  0.387661E-07 0.100000E-04    0.991570E+00
  52    0.141362E-06    0.177311E+03 -0.797256E-09 0.100000E-04    0.922458E+00
  53    0.691265E-05    0.170879E+03 -0.404536E-07 0.100000E-04    0.994675E+00
  54   -0.477613E-05    0.167981E+03  0.284326E-07 0.100000E-04    0.987086E+00
  55   -0.135285E-04    0.165671E+03  0.816589E-07 0.100000E-04    0.994746E+00
  56   -0.463403E-05    0.160358E+03  0.288981E-07 0.100000E-04    0.998960E+00
  57    0.267318E-05    0.153514E+03 -0.174132E-07 0.100000E-04    0.989064E+00
  58    0.112369E-04    0.150995E+03 -0.744189E-07 0.100000E-04    0.994217E+00
  59   -0.652124E-05    0.148949E+03  0.437816E-07 0.100000E-04    0.995111E+00
  60   -0.118745E-04    0.142792E+03  0.831589E-07 0.100000E-04    0.992404E+00
  61   -0.942213E-05    0.136935E+03  0.688073E-07 0.100000E-04    0.994579E+00
  62   -0.243764E-04    0.134999E+03  0.180567E-06 0.100000E-04    0.996588E+00
  63   -0.160687E-04    0.130946E+03  0.122712E-06 0.100000E-04    0.997282E+00
  64    0.532898E-05    0.127660E+03 -0.417435E-07 0.100000E-04    0.986303E+00
  65    0.349224E-06    0.125920E+03 -0.277337E-08 0.100000E-04    0.916981E+00
  66   -0.180290E-04    0.124977E+03  0.144258E-06 0.100000E-04    0.995988E+00
  67    0.154320E-05    0.119460E+03 -0.129181E-07 0.100000E-04    0.981157E+00
  68    0.523254E-05    0.117947E+03 -0.443635E-07 0.100000E-04    0.994434E+00
  69    0.892331E-06    0.116607E+03 -0.765249E-08 0.100000E-04    0.981181E+00
  70    0.106446E-04    0.112201E+03 -0.948713E-07 0.100000E-04    0.989541E+00
  71    0.915784E-06    0.109648E+03 -0.835204E-08 0.100000E-04    0.980045E+00
  72    0.241350E-04    0.105339E+03 -0.229118E-06 0.100000E-04    0.994848E+00
  73    0.109989E-04    0.102863E+03 -0.106927E-06 0.100000E-04    0.990160E+00
  74   -0.248658E-04    0.100253E+03  0.248031E-06 0.100000E-04    0.997346E+00
  75    0.213856E-04    0.970855E+02 -0.220276E-06 0.100000E-04    0.989911E+00
  76   -0.221828E-04    0.950937E+02  0.233273E-06 0.100000E-04    0.994382E+00
  77   -0.413012E-04    0.910174E+02  0.453773E-06 0.100000E-04    0.977936E+00
  78    0.109756E-04    0.909407E+02 -0.120690E-06 0.100000E-04    0.845598E+00
  79    0.316871E-04    0.888535E+02 -0.356622E-06 0.100000E-04    0.998424E+00
  80    0.113269E-04    0.845584E+02 -0.133954E-06 0.100000E-04    0.992022E+00
  81    0.121149E-04    0.808893E+02 -0.149772E-06 0.100000E-04    0.995410E+00
  82   -0.150198E-04    0.793023E+02  0.189399E-06 0.100000E-04    0.997040E+00
  83    0.960428E-05    0.785815E+02 -0.122221E-06 0.100000E-04    0.992160E+00
  84    0.167045E-04    0.728630E+02 -0.229259E-06 0.100000E-04    0.994605E+00
  85   -0.279048E-04    0.715238E+02  0.390148E-06 0.100000E-04    0.996659E+00
  86    0.335832E-04    0.688517E+02 -0.487761E-06 0.100000E-04    0.997507E+00
  87    0.152027E-05    0.678413E+02 -0.224092E-07 0.100000E-04    0.814974E+00
  88   -0.135735E-05    0.634196E+02  0.214026E-07 0.100000E-04    0.986754E+00
  89    0.320188E-04    0.618031E+02 -0.518078E-06 0.100000E-04    0.995588E+00
  90    0.152554E-04    0.596530E+02 -0.255735E-06 0.100000E-04    0.998373E+00
  91   -0.156131E-06    0.587547E+02  0.265734E-08 0.100000E-04    0.899049E+00
  92   -0.381823E-04    0.558531E+02  0.683620E-06 0.100000E-04    0.993197E+00
  93   -0.371812E-04    0.534750E+02  0.695301E-06 0.100000E-04    0.999694E+00
  94    0.227803E-04    0.522428E+02 -0.436046E-06 0.100000E-04    0.995145E+00
  95   -0.339724E-04    0.502890E+02  0.675543E-06 0.100000E-04    0.999815E+00
  96    0.101953E-04    0.479665E+02 -0.212550E-06 0.100000E-04    0.994462E+00
  97   -0.254690E-04    0.433818E+02  0.587091E-06 0.100000E-04    0.997166E+00
  98   -0.185382E-04    0.399784E+02  0.463706E-06 0.100000E-04    0.994439E+00
  99   -0.512007E-04    0.371044E+02  0.137991E-05 0.100000E-04    0.991363E+00
 100   -0.285935E-04    0.361619E+02  0.790709E-06 0.100000E-04    0.993073E+00
 101   -0.109804E-03    0.351984E+02  0.311957E-05 0.100000E-04    0.997544E+00
 102   -0.573028E-04    0.290450E+02  0.197290E-05 0.100000E-04    0.992179E+00
 103    0.227339E-04    0.288759E+02 -0.787296E-06 0.100000E-04    0.971331E+00
 104    0.436861E-04    0.287272E+02 -0.152072E-05 0.100000E-04    0.999784E+00
 105    0.290990E-04    0.231532E+02 -0.125680E-05 0.100000E-04    0.993629E+00
 106    0.470095E-06    0.219363E+02 -0.214300E-07 0.100000E-04    0.618170E+00
 107    0.113714E-03    0.196679E+02 -0.578167E-05 0.100000E-04    0.997676E+00
 108   -0.740698E-04    0.167590E+02  0.441971E-05 0.100000E-04    0.996876E+00
 109   -0.728898E-04    0.137981E+02  0.528260E-05 0.100000E-04    0.998171E+00
 110   -0.103904E-03    0.124243E+02  0.836292E-05 0.100000E-04    0.994773E+00
 111   -0.591746E-03    0.108824E+02  0.100000E-04 0.100000E-04    0.786062E+00
 112    0.862585E-05    0.952329E+01 -0.905764E-06 0.100000E-04    0.995079E+00
 113    0.772886E-02    0.760793E+01 -0.123608E-04 0.123608E-04    0.338411E+00
 114   -0.343382E+00    0.478782E+01 -0.400000E-03 0.400000E-03    0.209900E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7135458250E-01

 Beginning of optimization cycle  160.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3906119139
 potential> RMS force:                                               0.0323478984   |gradient|=.3453810426    
 Eigenvalues of the Hessian matrix:
   723.08264    671.58742    624.57587    604.12944    589.56195    565.32011 
   563.88211    479.15411    468.94513    462.72871    441.38369    431.10878 
   420.82421    406.33809    398.14865    388.61994    367.07475    363.34157 
   352.13938    341.21032    324.47506    321.96735    318.36189    317.05088 
   305.18715    287.50038    279.68654    271.15923    265.81057    262.64218 
   257.94317    253.49910    243.31488    238.72914    234.92067    228.64125 
   223.56679    212.71120    211.44798    209.14561    203.07123    198.30314 
   195.48998    191.61297    185.96522    177.29635    170.88273    167.97752 
   165.66923    160.35266    153.51237    150.99381    148.95437    142.79590 
   136.93534    135.00470    130.94491    127.66006    125.92310    124.98316 
   119.46136    117.94734    116.61000    112.19331    109.63769    105.33499 
   102.86459    100.24890     97.08166     95.09446     91.02479     90.93552 
    88.86462     84.56023     80.88949     79.30588     78.57931     72.86068 
    71.52712     68.84243     67.84308     63.41875     61.79436     59.65292 
    58.75757     55.85408     53.47144     52.24218     50.28833     47.96537 
    43.37744     39.98093     37.10008     36.15891     35.20586     29.03893 
    28.87229     28.72683     23.14909     21.93649     19.67062     16.76039 
    13.79735     12.42217     10.87034      9.52497      7.60774      4.78655 
overlap for current and previous eigenvector    109 is         0.9999982861
overlap for current and previous eigenvector    110 is         0.9999973553
overlap for current and previous eigenvector    111 is        -0.9999944435
overlap for current and previous eigenvector    112 is        -0.9999986625
overlap for current and previous eigenvector    113 is         0.9999989176
overlap for current and previous eigenvector    114 is        -0.9999994913
J1,K1,R1,R2,RAT=   7   7   -0.3121165088E-01     2.031045482        0.9687883491    
FOB,PFOB,DIAG,PSTEP=   -0.5014260631E-06   -0.4862481932E-06     723.0826445        0.6725214606E-09
J1,K1,R1,R2,RAT=   8   8   -0.1298280028E-02     2.001253997        0.9987017200    
FOB,PFOB,DIAG,PSTEP=   -0.1617018635E-05   -0.1614921968E-05     671.5874190        0.2404687282E-08
J1,K1,R1,R2,RAT=   9   9    0.8260511457E-02     1.991682887        0.9916828866    
FOB,PFOB,DIAG,PSTEP=    0.7654504622E-06    0.7718263228E-06     624.5758654       -0.1235795697E-08
J1,K1,R1,R2,RAT=  10  10   -0.7991636354E-02     2.007960746        0.9920083636    
FOB,PFOB,DIAG,PSTEP=    0.1521189186E-05    0.1509128593E-05     604.1294372       -0.2498060529E-08
J1,K1,R1,R2,RAT=  11  11   -0.3806770168E-02     2.003820450        0.9961932298    
FOB,PFOB,DIAG,PSTEP=   -0.1033839235E-05   -0.1029918599E-05     589.5619473        0.1746909817E-08
J1,K1,R1,R2,RAT= 109 109   -0.1000610103E-02     2.001106389        0.9989993899    
FOB,PFOB,DIAG,PSTEP=   -0.7296269053E-04   -0.7288976016E-04     13.79734786        0.5282602572E-05
J1,K1,R1,R2,RAT= 110 110   -0.1285615323E-01     2.013203729        0.9871438468    
FOB,PFOB,DIAG,PSTEP=   -0.1052392830E-03   -0.1039037130E-03     12.42217370        0.8362921135E-05
J1,K1,R1,R2,RAT= 111 111     11.10101359       -0.2136507941        0.7863492059    
FOB,PFOB,DIAG,PSTEP=    0.6149710565E-03   -0.5917464958E-03     10.87033668        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.942858023        0.5678775224E-01    0.9428580226    
FOB,PFOB,DIAG,PSTEP=   -0.8135919512E-05    0.8625848852E-05     9.524972956       -0.9057639227E-06
J1,K1,R1,R2,RAT= 113 113   -0.8455675683         165.2230326        0.1544324317    
FOB,PFOB,DIAG,PSTEP=    0.7808375486E-02    0.7728860044E-02     7.607738651       -0.1236082834E-04
J1,K1,R1,R2,RAT= 114 114    -359.6920917        0.9978882105        0.2111789541E-02
FOB,PFOB,DIAG,PSTEP=    0.3452921069       -0.3433815303         4.786549755       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001      0.00000      0.00000      0.00001      0.00001      0.00001 
     0.00001      0.00002      0.00002     -0.00001     -0.00000      0.00002 
     0.00000      0.00001      0.00000      0.00001     -0.00000     -0.00002 
    -0.00001     -0.00002     -0.00002     -0.00002     -0.00004      0.00001 
     0.00003      0.00001      0.00001     -0.00002      0.00001     -0.00002 
     0.00003      0.00003     -0.00000     -0.00000     -0.00003     -0.00002 
     0.00000     -0.00004     -0.00004      0.00002     -0.00003      0.00001 
    -0.00003     -0.00002     -0.00005      0.00003     -0.00011     -0.00006 
     0.00002      0.00004      0.00003     -0.00000      0.00011      0.00007 
    -0.00007     -0.00011      0.00061     -0.00001      0.00781      0.34529 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387595490
 Log product of positive Hessian eigenvalues =          520.3247544783
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7865497548
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000024
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000012
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000048
 Unscaled step for mode   17=       -0.0000000044
 Unscaled step for mode   18=       -0.0000000091
 Unscaled step for mode   19=       -0.0000000211
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000148
 Unscaled step for mode   22=       -0.0000000025
 Unscaled step for mode   23=        0.0000000044
 Unscaled step for mode   24=       -0.0000000048
 Unscaled step for mode   25=        0.0000000308
 Unscaled step for mode   26=        0.0000000506
 Unscaled step for mode   27=        0.0000000268
 Unscaled step for mode   28=        0.0000000096
 Unscaled step for mode   29=        0.0000000142
 Unscaled step for mode   30=        0.0000000442
 Unscaled step for mode   31=        0.0000000123
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=       -0.0000000205
 Unscaled step for mode   34=       -0.0000000110
 Unscaled step for mode   35=       -0.0000000616
 Unscaled step for mode   36=       -0.0000000164
 Unscaled step for mode   37=        0.0000000304
 Unscaled step for mode   38=        0.0000000139
 Unscaled step for mode   39=        0.0000000493
 Unscaled step for mode   40=       -0.0000000326
 Unscaled step for mode   41=       -0.0000000422
 Unscaled step for mode   42=        0.0000000170
 Unscaled step for mode   43=       -0.0000000154
 Unscaled step for mode   44=        0.0000000289
 Unscaled step for mode   45=       -0.0000000175
 Unscaled step for mode   46=       -0.0000000417
 Unscaled step for mode   47=        0.0000000901
 Unscaled step for mode   48=       -0.0000000002
 Unscaled step for mode   49=        0.0000000544
 Unscaled step for mode   50=       -0.0000000357
 Unscaled step for mode   51=        0.0000000389
 Unscaled step for mode   52=       -0.0000000008
 Unscaled step for mode   53=       -0.0000000406
 Unscaled step for mode   54=        0.0000000287
 Unscaled step for mode   55=       -0.0000000820
 Unscaled step for mode   56=       -0.0000000291
 Unscaled step for mode   57=       -0.0000000176
 Unscaled step for mode   58=       -0.0000000749
 Unscaled step for mode   59=       -0.0000000437
 Unscaled step for mode   60=       -0.0000000834
 Unscaled step for mode   61=       -0.0000000694
 Unscaled step for mode   62=       -0.0000001814
 Unscaled step for mode   63=       -0.0000001235
 Unscaled step for mode   64=        0.0000000422
 Unscaled step for mode   65=        0.0000000027
 Unscaled step for mode   66=       -0.0000001451
 Unscaled step for mode   67=       -0.0000000129
 Unscaled step for mode   68=       -0.0000000447
 Unscaled step for mode   69=       -0.0000000080
 Unscaled step for mode   70=       -0.0000000954
 Unscaled step for mode   71=        0.0000000086
 Unscaled step for mode   72=        0.0000002310
 Unscaled step for mode   73=        0.0000001079
 Unscaled step for mode   74=        0.0000002492
 Unscaled step for mode   75=        0.0000002221
 Unscaled step for mode   76=        0.0000002344
 Unscaled step for mode   77=        0.0000004601
 Unscaled step for mode   78=       -0.0000001047
 Unscaled step for mode   79=       -0.0000003567
 Unscaled step for mode   80=       -0.0000001348
 Unscaled step for mode   81=       -0.0000001507
 Unscaled step for mode   82=        0.0000001894
 Unscaled step for mode   83=       -0.0000001223
 Unscaled step for mode   84=        0.0000002315
 Unscaled step for mode   85=       -0.0000003928
 Unscaled step for mode   86=       -0.0000004893
 Unscaled step for mode   87=        0.0000000253
 Unscaled step for mode   88=        0.0000000222
 Unscaled step for mode   89=        0.0000005212
 Unscaled step for mode   90=        0.0000002581
 Unscaled step for mode   91=       -0.0000000031
 Unscaled step for mode   92=        0.0000006871
 Unscaled step for mode   93=        0.0000006976
 Unscaled step for mode   94=       -0.0000004399
 Unscaled step for mode   95=        0.0000006770
 Unscaled step for mode   96=       -0.0000002124
 Unscaled step for mode   97=        0.0000005915
 Unscaled step for mode   98=        0.0000004665
 Unscaled step for mode   99=        0.0000013998
 Unscaled step for mode  100=       -0.0000007852
 Unscaled step for mode  101=        0.0000031284
 Unscaled step for mode  102=        0.0000019987
 Unscaled step for mode  103=       -0.0000007623
 Unscaled step for mode  104=       -0.0000015291
 Unscaled step for mode  105=       -0.0000012658
 Unscaled step for mode  106=        0.0000000345
 Unscaled step for mode  107=       -0.0000058066
 Unscaled step for mode  108=       -0.0000043903
 Unscaled step for mode  109=        0.0000052882
 Unscaled step for mode  110=        0.0000084719
 Unscaled step for mode  111=       -0.0000565733
 Unscaled step for mode  112=        0.0000008542
 Unscaled step for mode  113=       -0.0010263716
 Unscaled step for mode  114=        0.0717664547
 Largest modulus ratio of non-zero e/values=           151.0655235    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.490059E-16    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.723597E-15    0.100754E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.156682E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.270617E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.681747E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.334910E-15    0.973612E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.501426E-06    0.723083E+03  0.693456E-09 0.100000E-04    0.968788E+00
   8   -0.161702E-05    0.671587E+03  0.240776E-08 0.100000E-04    0.998702E+00
   9    0.765450E-06    0.624576E+03 -0.122555E-08 0.100000E-04    0.991683E+00
  10    0.152119E-05    0.604129E+03 -0.251799E-08 0.100000E-04    0.992008E+00
  11   -0.103384E-05    0.589562E+03  0.175357E-08 0.100000E-04    0.996193E+00
  12    0.325143E-05    0.565320E+03 -0.575148E-08 0.100000E-04    0.999845E+00
  13    0.684296E-06    0.563882E+03 -0.121354E-08 0.100000E-04    0.969736E+00
  14   -0.567131E-05    0.479154E+03  0.118361E-07 0.100000E-04    0.999653E+00
  15    0.179564E-05    0.468945E+03 -0.382910E-08 0.100000E-04    0.994764E+00
  16    0.220140E-05    0.462729E+03 -0.475742E-08 0.100000E-04    0.987889E+00
  17    0.195869E-05    0.441384E+03 -0.443762E-08 0.100000E-04    0.985097E+00
  18    0.391621E-05    0.431109E+03 -0.908404E-08 0.100000E-04    0.997868E+00
  19    0.886525E-05    0.420824E+03 -0.210664E-07 0.100000E-04    0.994294E+00
  20    0.873988E-05    0.406338E+03 -0.215089E-07 0.100000E-04    0.997453E+00
  21    0.588081E-05    0.398149E+03 -0.147704E-07 0.100000E-04    0.995167E+00
  22    0.986182E-06    0.388620E+03 -0.253765E-08 0.100000E-04    0.968202E+00
  23   -0.160872E-05    0.367075E+03  0.438253E-08 0.100000E-04    0.997988E+00
  24    0.173105E-05    0.363342E+03 -0.476424E-08 0.100000E-04    0.995516E+00
  25   -0.108506E-04    0.352139E+03  0.308133E-07 0.100000E-04    0.994945E+00
  26   -0.172494E-04    0.341210E+03  0.505534E-07 0.100000E-04    0.993839E+00
  27   -0.869666E-05    0.324475E+03  0.268022E-07 0.100000E-04    0.995393E+00
  28   -0.308449E-05    0.321967E+03  0.958013E-08 0.100000E-04    0.977009E+00
  29   -0.452356E-05    0.318362E+03  0.142089E-07 0.100000E-04    0.963060E+00
  30   -0.140133E-04    0.317051E+03  0.441989E-07 0.100000E-04    0.989488E+00
  31   -0.375308E-05    0.305187E+03  0.122976E-07 0.100000E-04    0.992937E+00
  32   -0.126183E-05    0.287500E+03  0.438896E-08 0.100000E-04    0.978818E+00
  33    0.573367E-05    0.279687E+03 -0.205003E-07 0.100000E-04    0.992778E+00
  34    0.297005E-05    0.271159E+03 -0.109532E-07 0.100000E-04    0.987333E+00
  35    0.163660E-04    0.265811E+03 -0.615702E-07 0.100000E-04    0.996243E+00
  36    0.429442E-05    0.262642E+03 -0.163508E-07 0.100000E-04    0.987023E+00
  37   -0.783307E-05    0.257943E+03  0.303674E-07 0.100000E-04    0.993455E+00
  38   -0.351195E-05    0.253499E+03  0.138539E-07 0.100000E-04    0.999762E+00
  39   -0.119853E-04    0.243315E+03  0.492585E-07 0.100000E-04    0.994813E+00
  40    0.778415E-05    0.238729E+03 -0.326066E-07 0.100000E-04    0.992395E+00
  41    0.990597E-05    0.234921E+03 -0.421673E-07 0.100000E-04    0.988729E+00
  42   -0.388392E-05    0.228641E+03  0.169870E-07 0.100000E-04    0.993125E+00
  43    0.344987E-05    0.223567E+03 -0.154310E-07 0.100000E-04    0.992893E+00
  44   -0.615230E-05    0.212711E+03  0.289232E-07 0.100000E-04    0.992117E+00
  45    0.369525E-05    0.211448E+03 -0.174759E-07 0.100000E-04    0.997440E+00
  46    0.871307E-05    0.209146E+03 -0.416603E-07 0.100000E-04    0.994026E+00
  47   -0.183033E-04    0.203071E+03  0.901322E-07 0.100000E-04    0.995492E+00
  48    0.309485E-07    0.198303E+03 -0.156067E-09 0.100000E-04    0.745656E+00
  49   -0.106423E-04    0.195490E+03  0.544390E-07 0.100000E-04    0.994356E+00
  50    0.683678E-05    0.191613E+03 -0.356802E-07 0.100000E-04    0.991013E+00
  51   -0.723976E-05    0.185965E+03  0.389307E-07 0.100000E-04    0.995801E+00
  52    0.137981E-06    0.177296E+03 -0.778249E-09 0.100000E-04    0.976079E+00
  53    0.693758E-05    0.170883E+03 -0.405985E-07 0.100000E-04    0.996393E+00
  54   -0.481296E-05    0.167978E+03  0.286524E-07 0.100000E-04    0.992288E+00
  55    0.135818E-04    0.165669E+03 -0.819815E-07 0.100000E-04    0.996059E+00
  56    0.466312E-05    0.160353E+03 -0.290804E-07 0.100000E-04    0.993723E+00
  57    0.269431E-05    0.153512E+03 -0.175511E-07 0.100000E-04    0.992096E+00
  58    0.113169E-04    0.150994E+03 -0.749494E-07 0.100000E-04    0.992879E+00
  59    0.651266E-05    0.148954E+03 -0.437225E-07 0.100000E-04    0.998616E+00
  60    0.119135E-04    0.142796E+03 -0.834304E-07 0.100000E-04    0.996711E+00
  61    0.950865E-05    0.136935E+03 -0.694390E-07 0.100000E-04    0.990817E+00
  62    0.244833E-04    0.135005E+03 -0.181352E-06 0.100000E-04    0.995613E+00
  63    0.161704E-04    0.130945E+03 -0.123490E-06 0.100000E-04    0.993671E+00
  64   -0.539040E-05    0.127660E+03  0.422246E-07 0.100000E-04    0.988476E+00
  65   -0.345306E-06    0.125923E+03  0.274220E-08 0.100000E-04    0.988735E+00
  66    0.181367E-04    0.124983E+03 -0.145113E-06 0.100000E-04    0.994027E+00
  67    0.153661E-05    0.119461E+03 -0.128628E-07 0.100000E-04    0.995711E+00
  68    0.526910E-05    0.117947E+03 -0.446733E-07 0.100000E-04    0.993014E+00
  69    0.928347E-06    0.116610E+03 -0.796112E-08 0.100000E-04    0.959640E+00
  70    0.107040E-04    0.112193E+03 -0.954064E-07 0.100000E-04    0.994425E+00
  71   -0.939898E-06    0.109638E+03  0.857277E-08 0.100000E-04    0.973665E+00
  72   -0.243337E-04    0.105335E+03  0.231013E-06 0.100000E-04    0.991767E+00
  73   -0.110941E-04    0.102865E+03  0.107851E-06 0.100000E-04    0.991347E+00
  74   -0.249857E-04    0.100249E+03  0.249237E-06 0.100000E-04    0.995180E+00
  75   -0.215618E-04    0.970817E+02  0.222100E-06 0.100000E-04    0.991762E+00
  76   -0.222910E-04    0.950945E+02  0.234410E-06 0.100000E-04    0.995122E+00
  77   -0.418816E-04    0.910248E+02  0.460112E-06 0.100000E-04    0.985948E+00
  78    0.951735E-05    0.909355E+02 -0.104660E-06 0.100000E-04    0.867129E+00
  79    0.316985E-04    0.888646E+02 -0.356705E-06 0.100000E-04    0.999641E+00
  80    0.113985E-04    0.845602E+02 -0.134797E-06 0.100000E-04    0.993685E+00
  81    0.121861E-04    0.808895E+02 -0.150651E-06 0.100000E-04    0.994124E+00
  82   -0.150210E-04    0.793059E+02  0.189405E-06 0.100000E-04    0.999923E+00
  83    0.960915E-05    0.785793E+02 -0.122286E-06 0.100000E-04    0.999492E+00
  84   -0.168644E-04    0.728607E+02  0.231461E-06 0.100000E-04    0.990428E+00
  85    0.280936E-04    0.715271E+02 -0.392768E-06 0.100000E-04    0.993237E+00
  86    0.336875E-04    0.688424E+02 -0.489342E-06 0.100000E-04    0.996892E+00
  87   -0.171852E-05    0.678431E+02  0.253308E-07 0.100000E-04    0.869600E+00
  88   -0.140608E-05    0.634187E+02  0.221714E-07 0.100000E-04    0.964093E+00
  89   -0.322071E-04    0.617944E+02  0.521199E-06 0.100000E-04    0.994117E+00
  90   -0.153985E-04    0.596529E+02  0.258135E-06 0.100000E-04    0.990617E+00
  91    0.179337E-06    0.587576E+02 -0.305215E-08 0.100000E-04    0.851378E+00
  92   -0.383785E-04    0.558541E+02  0.687121E-06 0.100000E-04    0.994863E+00
  93   -0.373009E-04    0.534714E+02  0.697586E-06 0.100000E-04    0.996780E+00
  94    0.229829E-04    0.522422E+02 -0.439930E-06 0.100000E-04    0.991106E+00
  95   -0.340430E-04    0.502883E+02  0.676955E-06 0.100000E-04    0.997922E+00
  96    0.101864E-04    0.479654E+02 -0.212370E-06 0.100000E-04    0.999131E+00
  97   -0.256561E-04    0.433774E+02  0.591463E-06 0.100000E-04    0.992653E+00
  98   -0.186497E-04    0.399809E+02  0.466465E-06 0.100000E-04    0.993985E+00
  99   -0.519334E-04    0.371001E+02  0.139982E-05 0.100000E-04    0.985689E+00
 100    0.283908E-04    0.361589E+02 -0.785168E-06 0.100000E-04    0.992911E+00
 101   -0.110139E-03    0.352059E+02  0.312842E-05 0.100000E-04    0.996949E+00
 102   -0.580389E-04    0.290389E+02  0.199866E-05 0.100000E-04    0.987152E+00
 103    0.220101E-04    0.288723E+02 -0.762327E-06 0.100000E-04    0.968160E+00
 104    0.439275E-04    0.287268E+02 -0.152915E-05 0.100000E-04    0.994473E+00
 105    0.293015E-04    0.231491E+02 -0.126577E-05 0.100000E-04    0.993040E+00
 106   -0.757340E-06    0.219365E+02  0.345242E-07 0.100000E-04    0.388971E+00
 107    0.114220E-03    0.196706E+02 -0.580664E-05 0.100000E-04    0.995545E+00
 108    0.735825E-04    0.167604E+02 -0.439027E-05 0.100000E-04    0.993253E+00
 109   -0.729627E-04    0.137973E+02  0.528817E-05 0.100000E-04    0.998999E+00
 110   -0.105239E-03    0.124222E+02  0.847189E-05 0.100000E-04    0.987144E+00
 111    0.614971E-03    0.108703E+02 -0.100000E-04 0.100000E-04    0.786349E+00
 112   -0.813592E-05    0.952497E+01  0.854167E-06 0.100000E-04    0.942858E+00
 113    0.780838E-02    0.760774E+01 -0.134733E-04 0.134733E-04    0.154432E+00
 114    0.345292E+00    0.478655E+01  0.400000E-03 0.400000E-03    0.211179E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7176645471E-01

 Beginning of optimization cycle  161.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3904735259
 potential> RMS force:                                               0.0325268983   |gradient|=.3472922384    
 Eigenvalues of the Hessian matrix:
   723.14268    671.60215    624.59343    604.13877    589.55775    565.34169 
   563.91895    479.17278    468.92232    462.71856    441.38215    431.09925 
   420.83185    406.34896    398.14473    388.62329    367.07761    363.33147 
   352.13100    341.17267    324.48130    321.95758    318.36922    317.03726 
   305.18347    287.50425    279.68177    271.15371    265.81271    262.65185 
   257.94929    253.50133    243.30482    238.71602    234.93241    228.64313 
   223.54766    212.71319    211.45317    209.13274    203.07434    198.29904 
   195.49140    191.61285    185.95666    177.28198    170.88696    167.97417 
   165.66776    160.34739    153.51086    150.99275    148.95930    142.79932 
   136.93573    135.01003    130.94354    127.65995    125.92603    124.98929 
   119.46236    117.94757    116.61325    112.18587    109.62745    105.33124 
   102.86571    100.24481     97.07779     95.09519     91.03242     90.93017 
    88.87576     84.56207     80.88973     79.30946     78.57716     72.85833 
    71.53042     68.83320     67.84474     63.41793     61.78555     59.65284 
    58.76038     55.85500     53.46784     52.24154     50.28767     47.96425 
    43.37311     39.98347     37.09589     36.15575     35.21326     29.03306 
    28.86855     28.72644     23.14501     21.93664     19.67330     16.76178 
    13.79663     12.42004     10.85820      9.52666      7.60751      4.78524 
overlap for current and previous eigenvector    109 is         0.9999983055
overlap for current and previous eigenvector    110 is         0.9999974145
overlap for current and previous eigenvector    111 is        -0.9999944692
overlap for current and previous eigenvector    112 is        -0.9999986127
overlap for current and previous eigenvector    113 is         0.9999989069
overlap for current and previous eigenvector    114 is        -0.9999994943
J1,K1,R1,R2,RAT=   7   7   -0.2423972644E-01     2.024073676        0.9757602736    
FOB,PFOB,DIAG,PSTEP=   -0.5135815029E-06   -0.5014260631E-06     723.1426835        0.6934560895E-09
J1,K1,R1,R2,RAT=   8   8   -0.1707337969E-01     2.017029511        0.9829266203    
FOB,PFOB,DIAG,PSTEP=   -0.1644627214E-05   -0.1617018635E-05     671.6021501        0.2407755996E-08
J1,K1,R1,R2,RAT=   9   9   -0.8758987647E-02     2.008702751        0.9912410124    
FOB,PFOB,DIAG,PSTEP=    0.7721552218E-06    0.7654504622E-06     624.5934279       -0.1225552418E-08
J1,K1,R1,R2,RAT=  10  10    0.3792385251E-02     1.996176709        0.9961767088    
FOB,PFOB,DIAG,PSTEP=    0.1515420161E-05    0.1521189186E-05     604.1387730       -0.2517985538E-08
J1,K1,R1,R2,RAT=  11  11    0.2955994785E-03     1.999718640        0.9997044005    
FOB,PFOB,DIAG,PSTEP=   -0.1033533635E-05   -0.1033839235E-05     589.5577498        0.1753571851E-08
J1,K1,R1,R2,RAT= 109 109   -0.1677072289E-02     2.001781568        0.9983229277    
FOB,PFOB,DIAG,PSTEP=   -0.7308504784E-04   -0.7296269053E-04     13.79662701        0.5288167791E-05
J1,K1,R1,R2,RAT= 110 110   -0.5455518254E-02     2.005798348        0.9945444817    
FOB,PFOB,DIAG,PSTEP=   -0.1058133194E-03   -0.1052392830E-03     12.42004472        0.8471889503E-05
J1,K1,R1,R2,RAT= 111 111     11.55013788       -0.2228236860        0.7771763140    
FOB,PFOB,DIAG,PSTEP=   -0.6391656917E-03    0.6149710565E-03     10.85819721       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.006152096       -0.6506009535E-02    0.9934939905    
FOB,PFOB,DIAG,PSTEP=    0.8188861250E-05   -0.8135919512E-05     9.526658761        0.8541672033E-06
J1,K1,R1,R2,RAT= 113 113   -0.6918297941         153.0529228        0.3081702059    
FOB,PFOB,DIAG,PSTEP=    0.7879286855E-02    0.7808375486E-02     7.607510005       -0.1347330289E-04
J1,K1,R1,R2,RAT= 114 114    -361.7864162        0.9978800238        0.2119976162E-02
FOB,PFOB,DIAG,PSTEP=   -0.3472021460        0.3452921069         4.785242216        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
    -0.00001     -0.00000      0.00000      0.00001     -0.00001     -0.00001 
    -0.00001     -0.00002     -0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000     -0.00001     -0.00000      0.00002 
     0.00001      0.00003      0.00002     -0.00002     -0.00004     -0.00001 
     0.00003      0.00001     -0.00001      0.00001      0.00001     -0.00002 
    -0.00003      0.00003      0.00000      0.00000     -0.00003     -0.00002 
     0.00000      0.00004      0.00004     -0.00002      0.00003     -0.00001 
     0.00003     -0.00002     -0.00005      0.00003     -0.00011     -0.00006 
     0.00002      0.00004      0.00003      0.00000      0.00011     -0.00007 
    -0.00007     -0.00011     -0.00064      0.00001      0.00788     -0.34720 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387646205
 Log product of positive Hessian eigenvalues =          520.3225522508
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7852422163
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000024
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000011
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000048
 Unscaled step for mode   17=       -0.0000000045
 Unscaled step for mode   18=       -0.0000000091
 Unscaled step for mode   19=       -0.0000000212
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000148
 Unscaled step for mode   22=       -0.0000000026
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000310
 Unscaled step for mode   26=        0.0000000509
 Unscaled step for mode   27=        0.0000000270
 Unscaled step for mode   28=        0.0000000094
 Unscaled step for mode   29=        0.0000000138
 Unscaled step for mode   30=        0.0000000447
 Unscaled step for mode   31=        0.0000000125
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=       -0.0000000206
 Unscaled step for mode   34=       -0.0000000110
 Unscaled step for mode   35=       -0.0000000619
 Unscaled step for mode   36=       -0.0000000165
 Unscaled step for mode   37=        0.0000000306
 Unscaled step for mode   38=        0.0000000139
 Unscaled step for mode   39=        0.0000000495
 Unscaled step for mode   40=       -0.0000000329
 Unscaled step for mode   41=       -0.0000000426
 Unscaled step for mode   42=        0.0000000171
 Unscaled step for mode   43=       -0.0000000156
 Unscaled step for mode   44=        0.0000000295
 Unscaled step for mode   45=       -0.0000000174
 Unscaled step for mode   46=       -0.0000000421
 Unscaled step for mode   47=        0.0000000907
 Unscaled step for mode   48=       -0.0000000003
 Unscaled step for mode   49=        0.0000000549
 Unscaled step for mode   50=       -0.0000000357
 Unscaled step for mode   51=        0.0000000393
 Unscaled step for mode   52=       -0.0000000007
 Unscaled step for mode   53=       -0.0000000408
 Unscaled step for mode   54=        0.0000000290
 Unscaled step for mode   55=        0.0000000824
 Unscaled step for mode   56=        0.0000000291
 Unscaled step for mode   57=       -0.0000000177
 Unscaled step for mode   58=       -0.0000000754
 Unscaled step for mode   59=        0.0000000439
 Unscaled step for mode   60=        0.0000000841
 Unscaled step for mode   61=        0.0000000698
 Unscaled step for mode   62=        0.0000001819
 Unscaled step for mode   63=        0.0000001238
 Unscaled step for mode   64=       -0.0000000428
 Unscaled step for mode   65=       -0.0000000025
 Unscaled step for mode   66=        0.0000001457
 Unscaled step for mode   67=       -0.0000000131
 Unscaled step for mode   68=       -0.0000000449
 Unscaled step for mode   69=        0.0000000081
 Unscaled step for mode   70=        0.0000000964
 Unscaled step for mode   71=        0.0000000087
 Unscaled step for mode   72=       -0.0000002322
 Unscaled step for mode   73=       -0.0000001089
 Unscaled step for mode   74=       -0.0000002499
 Unscaled step for mode   75=       -0.0000002243
 Unscaled step for mode   76=        0.0000002357
 Unscaled step for mode   77=        0.0000004660
 Unscaled step for mode   78=        0.0000000923
 Unscaled step for mode   79=       -0.0000003561
 Unscaled step for mode   80=       -0.0000001359
 Unscaled step for mode   81=        0.0000001513
 Unscaled step for mode   82=       -0.0000001888
 Unscaled step for mode   83=       -0.0000001233
 Unscaled step for mode   84=        0.0000002327
 Unscaled step for mode   85=        0.0000003940
 Unscaled step for mode   86=       -0.0000004906
 Unscaled step for mode   87=       -0.0000000290
 Unscaled step for mode   88=       -0.0000000219
 Unscaled step for mode   89=        0.0000005237
 Unscaled step for mode   90=        0.0000002586
 Unscaled step for mode   91=       -0.0000000033
 Unscaled step for mode   92=       -0.0000006916
 Unscaled step for mode   93=       -0.0000006978
 Unscaled step for mode   94=        0.0000004420
 Unscaled step for mode   95=       -0.0000006767
 Unscaled step for mode   96=        0.0000002135
 Unscaled step for mode   97=       -0.0000005933
 Unscaled step for mode   98=        0.0000004690
 Unscaled step for mode   99=        0.0000014121
 Unscaled step for mode  100=       -0.0000007791
 Unscaled step for mode  101=        0.0000031352
 Unscaled step for mode  102=        0.0000020139
 Unscaled step for mode  103=       -0.0000007385
 Unscaled step for mode  104=       -0.0000015288
 Unscaled step for mode  105=       -0.0000012747
 Unscaled step for mode  106=       -0.0000000214
 Unscaled step for mode  107=       -0.0000058191
 Unscaled step for mode  108=        0.0000043755
 Unscaled step for mode  109=        0.0000052973
 Unscaled step for mode  110=        0.0000085196
 Unscaled step for mode  111=        0.0000588648
 Unscaled step for mode  112=       -0.0000008596
 Unscaled step for mode  113=       -0.0010357237
 Unscaled step for mode  114=       -0.0721788535
 Largest modulus ratio of non-zero e/values=           151.1193479    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.699310E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.960603E-16    0.100754E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.564652E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.356052E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.106115E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.304552E-15    0.973614E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.513582E-06    0.723143E+03  0.710208E-09 0.100000E-04    0.975760E+00
   8   -0.164463E-05    0.671602E+03  0.244881E-08 0.100000E-04    0.982927E+00
   9    0.772155E-06    0.624593E+03 -0.123625E-08 0.100000E-04    0.991241E+00
  10    0.151542E-05    0.604139E+03 -0.250840E-08 0.100000E-04    0.996177E+00
  11   -0.103353E-05    0.589558E+03  0.175307E-08 0.100000E-04    0.999704E+00
  12    0.326004E-05    0.565342E+03 -0.576649E-08 0.100000E-04    0.997352E+00
  13    0.635747E-06    0.563919E+03 -0.112737E-08 0.100000E-04    0.928927E+00
  14   -0.566252E-05    0.479173E+03  0.118173E-07 0.100000E-04    0.998372E+00
  15    0.180680E-05    0.468922E+03 -0.385308E-08 0.100000E-04    0.993784E+00
  16    0.221508E-05    0.462719E+03 -0.478710E-08 0.100000E-04    0.993783E+00
  17    0.196482E-05    0.441382E+03 -0.445151E-08 0.100000E-04    0.996872E+00
  18    0.393324E-05    0.431099E+03 -0.912374E-08 0.100000E-04    0.995651E+00
  19    0.890547E-05    0.420832E+03 -0.211616E-07 0.100000E-04    0.995464E+00
  20    0.874114E-05    0.406349E+03 -0.215114E-07 0.100000E-04    0.999856E+00
  21    0.589868E-05    0.398145E+03 -0.148154E-07 0.100000E-04    0.996961E+00
  22    0.100967E-05    0.388623E+03 -0.259806E-08 0.100000E-04    0.976188E+00
  23   -0.159629E-05    0.367078E+03  0.434865E-08 0.100000E-04    0.992262E+00
  24    0.172486E-05    0.363331E+03 -0.474734E-08 0.100000E-04    0.996425E+00
  25   -0.109086E-04    0.352131E+03  0.309789E-07 0.100000E-04    0.994649E+00
  26   -0.173495E-04    0.341173E+03  0.508527E-07 0.100000E-04    0.994191E+00
  27   -0.874741E-05    0.324481E+03  0.269581E-07 0.100000E-04    0.994165E+00
  28   -0.301723E-05    0.321958E+03  0.937152E-08 0.100000E-04    0.978195E+00
  29   -0.438231E-05    0.318369E+03  0.137649E-07 0.100000E-04    0.968728E+00
  30   -0.141754E-04    0.317037E+03  0.447119E-07 0.100000E-04    0.988435E+00
  31   -0.380484E-05    0.305183E+03  0.124674E-07 0.100000E-04    0.986207E+00
  32   -0.128030E-05    0.287504E+03  0.445316E-08 0.100000E-04    0.985361E+00
  33    0.575804E-05    0.279682E+03 -0.205878E-07 0.100000E-04    0.995749E+00
  34    0.298492E-05    0.271154E+03 -0.110082E-07 0.100000E-04    0.994995E+00
  35    0.164550E-04    0.265813E+03 -0.619045E-07 0.100000E-04    0.994561E+00
  36    0.434378E-05    0.262652E+03 -0.165382E-07 0.100000E-04    0.988506E+00
  37   -0.788857E-05    0.257949E+03  0.305819E-07 0.100000E-04    0.992915E+00
  38   -0.352998E-05    0.253501E+03  0.139249E-07 0.100000E-04    0.994864E+00
  39   -0.120340E-04    0.243305E+03  0.494608E-07 0.100000E-04    0.995936E+00
  40    0.786054E-05    0.238716E+03 -0.329284E-07 0.100000E-04    0.990186E+00
  41    0.100197E-04    0.234932E+03 -0.426493E-07 0.100000E-04    0.988519E+00
  42   -0.391922E-05    0.228643E+03  0.171412E-07 0.100000E-04    0.990912E+00
  43    0.349543E-05    0.223548E+03 -0.156362E-07 0.100000E-04    0.986793E+00
  44   -0.626909E-05    0.212713E+03  0.294720E-07 0.100000E-04    0.981017E+00
  45    0.367620E-05    0.211453E+03 -0.173854E-07 0.100000E-04    0.994794E+00
  46    0.879942E-05    0.209133E+03 -0.420757E-07 0.100000E-04    0.990089E+00
  47   -0.184252E-04    0.203074E+03  0.907312E-07 0.100000E-04    0.993339E+00
  48    0.552437E-07    0.198299E+03 -0.278588E-09 0.100000E-04    0.214963E+00
  49   -0.107328E-04    0.195491E+03  0.549017E-07 0.100000E-04    0.991493E+00
  50    0.683922E-05    0.191613E+03 -0.356929E-07 0.100000E-04    0.999643E+00
  51   -0.730011E-05    0.185957E+03  0.392571E-07 0.100000E-04    0.991663E+00
  52    0.126387E-06    0.177282E+03 -0.712914E-09 0.100000E-04    0.915968E+00
  53    0.697512E-05    0.170887E+03 -0.408171E-07 0.100000E-04    0.994589E+00
  54   -0.487460E-05    0.167974E+03  0.290200E-07 0.100000E-04    0.987193E+00
  55   -0.136513E-04    0.165668E+03  0.824016E-07 0.100000E-04    0.994884E+00
  56   -0.466772E-05    0.160347E+03  0.291101E-07 0.100000E-04    0.999012E+00
  57    0.272382E-05    0.153511E+03 -0.177435E-07 0.100000E-04    0.989047E+00
  58    0.113817E-04    0.150993E+03 -0.753793E-07 0.100000E-04    0.994271E+00
  59   -0.654390E-05    0.148959E+03  0.439308E-07 0.100000E-04    0.995203E+00
  60   -0.120042E-04    0.142799E+03  0.840633E-07 0.100000E-04    0.992390E+00
  61   -0.956153E-05    0.136936E+03  0.698249E-07 0.100000E-04    0.994439E+00
  62   -0.245649E-04    0.135010E+03  0.181949E-06 0.100000E-04    0.996670E+00
  63   -0.162151E-04    0.130944E+03  0.123832E-06 0.100000E-04    0.997239E+00
  64    0.546538E-05    0.127660E+03 -0.428120E-07 0.100000E-04    0.986090E+00
  65    0.314151E-06    0.125926E+03 -0.249473E-08 0.100000E-04    0.909731E+00
  66   -0.182074E-04    0.124989E+03  0.145672E-06 0.100000E-04    0.996097E+00
  67    0.156452E-05    0.119462E+03 -0.130964E-07 0.100000E-04    0.981832E+00
  68    0.529729E-05    0.117948E+03 -0.449123E-07 0.100000E-04    0.994649E+00
  69   -0.945043E-06    0.116613E+03  0.810408E-08 0.100000E-04    0.982015E+00
  70   -0.108130E-04    0.112186E+03  0.963847E-07 0.100000E-04    0.989812E+00
  71   -0.957968E-06    0.109627E+03  0.873840E-08 0.100000E-04    0.980773E+00
  72    0.244595E-04    0.105331E+03 -0.232215E-06 0.100000E-04    0.994831E+00
  73    0.112007E-04    0.102866E+03 -0.108887E-06 0.100000E-04    0.990388E+00
  74    0.250509E-04    0.100245E+03 -0.249898E-06 0.100000E-04    0.997388E+00
  75    0.217786E-04    0.970778E+02 -0.224342E-06 0.100000E-04    0.989943E+00
  76   -0.224137E-04    0.950952E+02  0.235697E-06 0.100000E-04    0.994498E+00
  77   -0.424183E-04    0.910324E+02  0.465969E-06 0.100000E-04    0.987187E+00
  78   -0.839526E-05    0.909302E+02  0.923264E-07 0.100000E-04    0.882094E+00
  79    0.316488E-04    0.888758E+02 -0.356102E-06 0.100000E-04    0.998183E+00
  80    0.114884E-04    0.845621E+02 -0.135857E-06 0.100000E-04    0.992114E+00
  81   -0.122408E-04    0.808897E+02  0.151326E-06 0.100000E-04    0.995517E+00
  82    0.149746E-04    0.793095E+02 -0.188813E-06 0.100000E-04    0.996825E+00
  83    0.968515E-05    0.785772E+02 -0.123256E-06 0.100000E-04    0.992092E+00
  84   -0.169552E-04    0.728583E+02  0.232714E-06 0.100000E-04    0.994618E+00
  85   -0.281862E-04    0.715304E+02  0.394044E-06 0.100000E-04    0.996704E+00
  86    0.337664E-04    0.688332E+02 -0.490553E-06 0.100000E-04    0.997659E+00
  87    0.196785E-05    0.678447E+02 -0.290053E-07 0.100000E-04    0.854918E+00
  88    0.138730E-05    0.634179E+02 -0.218755E-07 0.100000E-04    0.986640E+00
  89   -0.323541E-04    0.617856E+02  0.523652E-06 0.100000E-04    0.995437E+00
  90   -0.154279E-04    0.596528E+02  0.258629E-06 0.100000E-04    0.998091E+00
  91    0.191364E-06    0.587604E+02 -0.325669E-08 0.100000E-04    0.932936E+00
  92    0.386319E-04    0.558550E+02 -0.691646E-06 0.100000E-04    0.993398E+00
  93    0.373082E-04    0.534678E+02 -0.697769E-06 0.100000E-04    0.999804E+00
  94   -0.230894E-04    0.522415E+02  0.441973E-06 0.100000E-04    0.995368E+00
  95    0.340313E-04    0.502877E+02 -0.676733E-06 0.100000E-04    0.999659E+00
  96   -0.102421E-04    0.479643E+02  0.213537E-06 0.100000E-04    0.994528E+00
  97    0.257351E-04    0.433731E+02 -0.593342E-06 0.100000E-04    0.996922E+00
  98   -0.187526E-04    0.399835E+02  0.469009E-06 0.100000E-04    0.994484E+00
  99   -0.523820E-04    0.370959E+02  0.141207E-05 0.100000E-04    0.991361E+00
 100    0.281681E-04    0.361558E+02 -0.779077E-06 0.100000E-04    0.992155E+00
 101   -0.110401E-03    0.352133E+02  0.313522E-05 0.100000E-04    0.997617E+00
 102   -0.584705E-04    0.290331E+02  0.201393E-05 0.100000E-04    0.992561E+00
 103    0.213199E-04    0.288685E+02 -0.738517E-06 0.100000E-04    0.968637E+00
 104    0.439182E-04    0.287264E+02 -0.152884E-05 0.100000E-04    0.999787E+00
 105    0.295023E-04    0.231450E+02 -0.127467E-05 0.100000E-04    0.993149E+00
 106    0.468700E-06    0.219366E+02 -0.213661E-07 0.100000E-04    0.618866E+00
 107    0.114481E-03    0.196733E+02 -0.581912E-05 0.100000E-04    0.997716E+00
 108   -0.733406E-04    0.167618E+02  0.437546E-05 0.100000E-04    0.996546E+00
 109   -0.730850E-04    0.137966E+02  0.529731E-05 0.100000E-04    0.998323E+00
 110   -0.105813E-03    0.124200E+02  0.851956E-05 0.100000E-04    0.994544E+00
 111   -0.639166E-03    0.108582E+02  0.100000E-04 0.100000E-04    0.777176E+00
 112    0.818886E-05    0.952666E+01 -0.859573E-06 0.100000E-04    0.993494E+00
 113    0.787929E-02    0.760751E+01 -0.121381E-04 0.121381E-04    0.308170E+00
 114   -0.347202E+00    0.478524E+01 -0.400000E-03 0.400000E-03    0.211998E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7217885348E-01

 Beginning of optimization cycle  162.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3903343648
 potential> RMS force:                                               0.0327058684   |gradient|=.3492031157    
 Eigenvalues of the Hessian matrix:
   723.20279    671.61695    624.61097    604.14786    589.55360    565.36328 
   563.95567    479.19153    468.89952    462.70839    441.38061    431.08965 
   420.83943    406.35980    398.14079    388.62661    367.08045    363.32141 
   352.12256    341.13501    324.48751    321.94802    318.37704    317.02297 
   305.17972    287.50814    279.67697    271.14817    265.81487    262.66147 
   257.95532    253.50355    243.29478    238.70283    234.94409    228.64495 
   223.52850    212.71523    211.45831    209.11986    203.07743    198.29491 
   195.49277    191.61273    185.94805    177.26765    170.89125    167.97077 
   165.66627    160.34212    153.50939    150.99168    148.96424    142.80276 
   136.93612    135.01534    130.94219    127.65985    125.92896    124.99541 
   119.46339    117.94782    116.61652    112.17845    109.61722    105.32752 
   102.86683    100.24072     97.07389     95.09594     91.04020     90.92471 
    88.88688     84.56391     80.88997     79.31303     78.57502     72.85600 
    71.53377     68.82401     67.84640     63.41712     61.77677     59.65277 
    58.76320     55.85596     53.46425     52.24094     50.28700     47.96315 
    43.36878     39.98603     37.09181     36.15258     35.22071     29.02738 
    28.86468     28.72600     23.14094     21.93676     19.67604     16.76316 
    13.79592     12.41793     10.84605      9.52833      7.60728      4.78391 
overlap for current and previous eigenvector    109 is         0.9999983294
overlap for current and previous eigenvector    110 is         0.9999974649
overlap for current and previous eigenvector    111 is         0.9999944987
overlap for current and previous eigenvector    112 is         0.9999985677
overlap for current and previous eigenvector    113 is         0.9999988952
overlap for current and previous eigenvector    114 is        -0.9999994970
J1,K1,R1,R2,RAT=   7   7   -0.2996125612E-01     2.029795035        0.9700387439    
FOB,PFOB,DIAG,PSTEP=   -0.5289703288E-06   -0.5135815029E-06     723.2027894        0.7102077012E-09
J1,K1,R1,R2,RAT=   8   8   -0.1430276439E-02     2.001386218        0.9985697236    
FOB,PFOB,DIAG,PSTEP=   -0.1646979537E-05   -0.1644627214E-05     671.6169453        0.2448811716E-08
J1,K1,R1,R2,RAT=   9   9    0.8085851412E-02     1.991857968        0.9918579682    
FOB,PFOB,DIAG,PSTEP=    0.7659115141E-06    0.7721552218E-06     624.6109734       -0.1236252556E-08
J1,K1,R1,R2,RAT=  10  10   -0.7911998171E-02     2.007881928        0.9920880018    
FOB,PFOB,DIAG,PSTEP=    0.1527410343E-05    0.1515420161E-05     604.1478563       -0.2508397456E-08
J1,K1,R1,R2,RAT=  11  11   -0.3799387972E-02     2.003813451        0.9962006120    
FOB,PFOB,DIAG,PSTEP=   -0.1037460403E-05   -0.1033533635E-05     589.5536042        0.1753065981E-08
J1,K1,R1,R2,RAT= 109 109   -0.9393965941E-03     2.001041674        0.9990606034    
FOB,PFOB,DIAG,PSTEP=   -0.7315370018E-04   -0.7308504784E-04     13.79592151        0.5297312725E-05
J1,K1,R1,R2,RAT= 110 110   -0.1257161620E-01     2.012912137        0.9874283838    
FOB,PFOB,DIAG,PSTEP=   -0.1071433374E-03   -0.1058133194E-03     12.41793043        0.8519560259E-05
J1,K1,R1,R2,RAT= 111 111   -0.2223846398         12.00852656        0.7776153602    
FOB,PFOB,DIAG,PSTEP=   -0.6632856511E-03   -0.6391656917E-03     10.84605456        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.5864863467E-01     1.941000193        0.9410001933    
FOB,PFOB,DIAG,PSTEP=    0.7708511375E-05    0.8188861250E-05     9.528331803       -0.8595732728E-06
J1,K1,R1,R2,RAT= 113 113   -0.8787609709         171.5405812        0.1212390291    
FOB,PFOB,DIAG,PSTEP=    0.7960429898E-02    0.7879286855E-02     7.607280666       -0.1213811071E-04
J1,K1,R1,R2,RAT= 114 114    -363.8830730        0.9978672966        0.2132703399E-02
FOB,PFOB,DIAG,PSTEP=    0.3491116295       -0.3472021460         4.783911559       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001     -0.00000      0.00000      0.00001     -0.00001      0.00001 
    -0.00001     -0.00002     -0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001      0.00000     -0.00001      0.00000      0.00002 
    -0.00001     -0.00003     -0.00002      0.00002      0.00004     -0.00001 
     0.00003     -0.00001      0.00001      0.00001      0.00001      0.00002 
     0.00003     -0.00003     -0.00000     -0.00000      0.00003     -0.00002 
    -0.00000      0.00004     -0.00004     -0.00002     -0.00003     -0.00001 
     0.00003     -0.00002      0.00005     -0.00003     -0.00011      0.00006 
     0.00002     -0.00004      0.00003      0.00000     -0.00011      0.00007 
    -0.00007     -0.00011     -0.00066      0.00001      0.00796      0.34911 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387658101
 Log product of positive Hessian eigenvalues =          520.3203520773
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7839115586
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000025
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000011
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000048
 Unscaled step for mode   17=       -0.0000000045
 Unscaled step for mode   18=       -0.0000000091
 Unscaled step for mode   19=       -0.0000000213
 Unscaled step for mode   20=       -0.0000000216
 Unscaled step for mode   21=       -0.0000000149
 Unscaled step for mode   22=       -0.0000000027
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000311
 Unscaled step for mode   26=        0.0000000512
 Unscaled step for mode   27=        0.0000000271
 Unscaled step for mode   28=        0.0000000091
 Unscaled step for mode   29=        0.0000000132
 Unscaled step for mode   30=        0.0000000451
 Unscaled step for mode   31=        0.0000000126
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=       -0.0000000207
 Unscaled step for mode   34=       -0.0000000111
 Unscaled step for mode   35=       -0.0000000621
 Unscaled step for mode   36=       -0.0000000167
 Unscaled step for mode   37=        0.0000000308
 Unscaled step for mode   38=        0.0000000139
 Unscaled step for mode   39=        0.0000000497
 Unscaled step for mode   40=       -0.0000000332
 Unscaled step for mode   41=       -0.0000000431
 Unscaled step for mode   42=        0.0000000173
 Unscaled step for mode   43=       -0.0000000157
 Unscaled step for mode   44=        0.0000000297
 Unscaled step for mode   45=       -0.0000000174
 Unscaled step for mode   46=       -0.0000000423
 Unscaled step for mode   47=        0.0000000911
 Unscaled step for mode   48=       -0.0000000004
 Unscaled step for mode   49=        0.0000000552
 Unscaled step for mode   50=       -0.0000000360
 Unscaled step for mode   51=        0.0000000394
 Unscaled step for mode   52=       -0.0000000007
 Unscaled step for mode   53=       -0.0000000410
 Unscaled step for mode   54=        0.0000000292
 Unscaled step for mode   55=       -0.0000000827
 Unscaled step for mode   56=        0.0000000293
 Unscaled step for mode   57=       -0.0000000179
 Unscaled step for mode   58=       -0.0000000759
 Unscaled step for mode   59=        0.0000000439
 Unscaled step for mode   60=       -0.0000000843
 Unscaled step for mode   61=        0.0000000705
 Unscaled step for mode   62=        0.0000001827
 Unscaled step for mode   63=        0.0000001246
 Unscaled step for mode   64=       -0.0000000433
 Unscaled step for mode   65=       -0.0000000025
 Unscaled step for mode   66=        0.0000001465
 Unscaled step for mode   67=       -0.0000000130
 Unscaled step for mode   68=       -0.0000000452
 Unscaled step for mode   69=       -0.0000000084
 Unscaled step for mode   70=        0.0000000969
 Unscaled step for mode   71=       -0.0000000090
 Unscaled step for mode   72=       -0.0000002341
 Unscaled step for mode   73=        0.0000001098
 Unscaled step for mode   74=        0.0000002511
 Unscaled step for mode   75=        0.0000002262
 Unscaled step for mode   76=       -0.0000002368
 Unscaled step for mode   77=       -0.0000004701
 Unscaled step for mode   78=        0.0000000830
 Unscaled step for mode   79=       -0.0000003561
 Unscaled step for mode   80=        0.0000001367
 Unscaled step for mode   81=       -0.0000001522
 Unscaled step for mode   82=       -0.0000001888
 Unscaled step for mode   83=       -0.0000001233
 Unscaled step for mode   84=       -0.0000002349
 Unscaled step for mode   85=       -0.0000003967
 Unscaled step for mode   86=        0.0000004921
 Unscaled step for mode   87=        0.0000000321
 Unscaled step for mode   88=        0.0000000226
 Unscaled step for mode   89=       -0.0000005268
 Unscaled step for mode   90=        0.0000002610
 Unscaled step for mode   91=        0.0000000036
 Unscaled step for mode   92=       -0.0000006951
 Unscaled step for mode   93=        0.0000007000
 Unscaled step for mode   94=        0.0000004458
 Unscaled step for mode   95=        0.0000006781
 Unscaled step for mode   96=        0.0000002133
 Unscaled step for mode   97=       -0.0000005977
 Unscaled step for mode   98=        0.0000004718
 Unscaled step for mode   99=       -0.0000014321
 Unscaled step for mode  100=        0.0000007730
 Unscaled step for mode  101=        0.0000031438
 Unscaled step for mode  102=       -0.0000020387
 Unscaled step for mode  103=       -0.0000007131
 Unscaled step for mode  104=        0.0000015374
 Unscaled step for mode  105=       -0.0000012837
 Unscaled step for mode  106=       -0.0000000345
 Unscaled step for mode  107=        0.0000058434
 Unscaled step for mode  108=       -0.0000043454
 Unscaled step for mode  109=        0.0000053026
 Unscaled step for mode  110=        0.0000086281
 Unscaled step for mode  111=        0.0000611546
 Unscaled step for mode  112=       -0.0000008090
 Unscaled step for mode  113=       -0.0010464214
 Unscaled step for mode  114=        0.0725916367
 Largest modulus ratio of non-zero e/values=           151.1739464    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.420887E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.787998E-15    0.100753E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.478350E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.541288E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.778949E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.415331E-15    0.973616E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.528970E-06    0.723203E+03  0.731427E-09 0.100000E-04    0.970039E+00
   8   -0.164698E-05    0.671617E+03  0.245226E-08 0.100000E-04    0.998570E+00
   9    0.765912E-06    0.624611E+03 -0.122622E-08 0.100000E-04    0.991858E+00
  10    0.152741E-05    0.604148E+03 -0.252821E-08 0.100000E-04    0.992088E+00
  11   -0.103746E-05    0.589554E+03  0.175974E-08 0.100000E-04    0.996201E+00
  12    0.326023E-05    0.565363E+03 -0.576661E-08 0.100000E-04    0.999941E+00
  13    0.613071E-06    0.563956E+03 -0.108709E-08 0.100000E-04    0.964204E+00
  14   -0.566394E-05    0.479192E+03  0.118198E-07 0.100000E-04    0.999750E+00
  15    0.179751E-05    0.468900E+03 -0.383346E-08 0.100000E-04    0.994859E+00
  16    0.224148E-05    0.462708E+03 -0.484425E-08 0.100000E-04    0.988084E+00
  17    0.199351E-05    0.441381E+03 -0.451653E-08 0.100000E-04    0.985398E+00
  18    0.394166E-05    0.431090E+03 -0.914347E-08 0.100000E-04    0.997860E+00
  19    0.895581E-05    0.420839E+03 -0.212808E-07 0.100000E-04    0.994347E+00
  20    0.876279E-05    0.406360E+03 -0.215641E-07 0.100000E-04    0.997523E+00
  21    0.592670E-05    0.398141E+03 -0.148859E-07 0.100000E-04    0.995249E+00
  22    0.104027E-05    0.388627E+03 -0.267677E-08 0.100000E-04    0.969693E+00
  23   -0.159302E-05    0.367080E+03  0.433970E-08 0.100000E-04    0.997934E+00
  24    0.171682E-05    0.363321E+03 -0.472534E-08 0.100000E-04    0.995337E+00
  25   -0.109633E-04    0.352123E+03  0.311349E-07 0.100000E-04    0.994987E+00
  26   -0.174554E-04    0.341135E+03  0.511686E-07 0.100000E-04    0.993897E+00
  27   -0.878760E-05    0.324488E+03  0.270815E-07 0.100000E-04    0.995405E+00
  28   -0.294310E-05    0.321948E+03  0.914154E-08 0.100000E-04    0.975430E+00
  29   -0.421356E-05    0.318377E+03  0.132345E-07 0.100000E-04    0.961445E+00
  30   -0.143133E-04    0.317023E+03  0.451491E-07 0.100000E-04    0.990268E+00
  31   -0.383177E-05    0.305180E+03  0.125558E-07 0.100000E-04    0.992921E+00
  32   -0.130661E-05    0.287508E+03  0.454460E-08 0.100000E-04    0.979452E+00
  33    0.579931E-05    0.279677E+03 -0.207357E-07 0.100000E-04    0.992832E+00
  34    0.302227E-05    0.271148E+03 -0.111462E-07 0.100000E-04    0.987485E+00
  35    0.165158E-04    0.265815E+03 -0.621327E-07 0.100000E-04    0.996306E+00
  36    0.439942E-05    0.262661E+03 -0.167494E-07 0.100000E-04    0.987192E+00
  37   -0.794004E-05    0.257955E+03  0.307807E-07 0.100000E-04    0.993475E+00
  38   -0.353073E-05    0.253504E+03  0.139277E-07 0.100000E-04    0.999788E+00
  39   -0.120954E-04    0.243295E+03  0.497150E-07 0.100000E-04    0.994902E+00
  40    0.791853E-05    0.238703E+03 -0.331732E-07 0.100000E-04    0.992622E+00
  41    0.101320E-04    0.234944E+03 -0.431252E-07 0.100000E-04    0.988792E+00
  42   -0.394578E-05    0.228645E+03  0.172572E-07 0.100000E-04    0.993221E+00
  43    0.352036E-05    0.223528E+03 -0.157490E-07 0.100000E-04    0.992866E+00
  44   -0.631843E-05    0.212715E+03  0.297037E-07 0.100000E-04    0.992130E+00
  45    0.368527E-05    0.211458E+03 -0.174279E-07 0.100000E-04    0.997531E+00
  46    0.885183E-05    0.209120E+03 -0.423290E-07 0.100000E-04    0.994043E+00
  47   -0.185074E-04    0.203077E+03  0.911345E-07 0.100000E-04    0.995540E+00
  48    0.752254E-07    0.198295E+03 -0.379361E-09 0.100000E-04    0.638292E+00
  49   -0.107928E-04    0.195493E+03  0.552084E-07 0.100000E-04    0.994407E+00
  50    0.690006E-05    0.191613E+03 -0.360105E-07 0.100000E-04    0.991104E+00
  51   -0.733072E-05    0.185948E+03  0.394235E-07 0.100000E-04    0.995807E+00
  52    0.122882E-06    0.177268E+03 -0.693200E-09 0.100000E-04    0.972267E+00
  53    0.700047E-05    0.170891E+03 -0.409645E-07 0.100000E-04    0.996366E+00
  54   -0.491203E-05    0.167971E+03  0.292434E-07 0.100000E-04    0.992321E+00
  55    0.137044E-04    0.165666E+03 -0.827231E-07 0.100000E-04    0.996107E+00
  56   -0.469639E-05    0.160342E+03  0.292898E-07 0.100000E-04    0.993858E+00
  57    0.274569E-05    0.153509E+03 -0.178861E-07 0.100000E-04    0.991970E+00
  58    0.114622E-04    0.150992E+03 -0.759131E-07 0.100000E-04    0.992926E+00
  59   -0.653436E-05    0.148964E+03  0.438653E-07 0.100000E-04    0.998476E+00
  60    0.120438E-04    0.142803E+03 -0.843390E-07 0.100000E-04    0.996696E+00
  61   -0.964887E-05    0.136936E+03  0.704626E-07 0.100000E-04    0.990865E+00
  62   -0.246711E-04    0.135015E+03  0.182728E-06 0.100000E-04    0.995676E+00
  63   -0.163164E-04    0.130942E+03  0.124607E-06 0.100000E-04    0.993752E+00
  64    0.552826E-05    0.127660E+03 -0.433046E-07 0.100000E-04    0.988494E+00
  65    0.310592E-06    0.125929E+03 -0.246641E-08 0.100000E-04    0.988625E+00
  66   -0.183148E-04    0.124995E+03  0.146524E-06 0.100000E-04    0.994104E+00
  67    0.155806E-05    0.119463E+03 -0.130422E-07 0.100000E-04    0.995855E+00
  68    0.533390E-05    0.117948E+03 -0.452225E-07 0.100000E-04    0.993090E+00
  69    0.981257E-06    0.116617E+03 -0.841439E-08 0.100000E-04    0.961681E+00
  70   -0.108726E-04    0.112178E+03  0.969221E-07 0.100000E-04    0.994491E+00
  71    0.982291E-06    0.109617E+03 -0.896110E-08 0.100000E-04    0.974607E+00
  72    0.246587E-04    0.105328E+03 -0.234114E-06 0.100000E-04    0.991857E+00
  73   -0.112964E-04    0.102867E+03  0.109816E-06 0.100000E-04    0.991458E+00
  74   -0.251693E-04    0.100241E+03  0.251089E-06 0.100000E-04    0.995274E+00
  75   -0.219575E-04    0.970739E+02  0.226194E-06 0.100000E-04    0.991786E+00
  76    0.225209E-04    0.950959E+02 -0.236823E-06 0.100000E-04    0.995214E+00
  77    0.427964E-04    0.910402E+02 -0.470082E-06 0.100000E-04    0.991088E+00
  78   -0.754271E-05    0.909247E+02  0.829555E-07 0.100000E-04    0.898442E+00
  79    0.316550E-04    0.888869E+02 -0.356127E-06 0.100000E-04    0.999804E+00
  80   -0.115600E-04    0.845639E+02  0.136701E-06 0.100000E-04    0.993768E+00
  81    0.123115E-04    0.808900E+02 -0.152201E-06 0.100000E-04    0.994217E+00
  82    0.149734E-04    0.793130E+02 -0.188789E-06 0.100000E-04    0.999829E+00
  83    0.969112E-05    0.785750E+02 -0.123336E-06 0.100000E-04    0.999383E+00
  84    0.171155E-04    0.728560E+02 -0.234922E-06 0.100000E-04    0.990543E+00
  85    0.283747E-04    0.715338E+02 -0.396662E-06 0.100000E-04    0.993311E+00
  86   -0.338658E-04    0.688240E+02  0.492064E-06 0.100000E-04    0.997054E+00
  87   -0.217672E-05    0.678464E+02  0.320830E-07 0.100000E-04    0.893865E+00
  88   -0.143422E-05    0.634171E+02  0.226157E-07 0.100000E-04    0.966176E+00
  89    0.325426E-04    0.617768E+02 -0.526778E-06 0.100000E-04    0.994172E+00
  90   -0.155711E-04    0.596528E+02  0.261029E-06 0.100000E-04    0.990720E+00
  91   -0.214138E-06    0.587632E+02  0.364408E-08 0.100000E-04    0.880999E+00
  92    0.388270E-04    0.558560E+02 -0.695127E-06 0.100000E-04    0.994949E+00
  93   -0.374249E-04    0.534643E+02  0.699998E-06 0.100000E-04    0.996873E+00
  94   -0.232914E-04    0.522409E+02  0.445845E-06 0.100000E-04    0.991251E+00
  95   -0.340990E-04    0.502870E+02  0.678088E-06 0.100000E-04    0.998011E+00
  96   -0.102328E-04    0.479632E+02  0.213348E-06 0.100000E-04    0.999090E+00
  97    0.259226E-04    0.433688E+02 -0.597726E-06 0.100000E-04    0.992713E+00
  98   -0.188652E-04    0.399860E+02  0.471795E-06 0.100000E-04    0.993994E+00
  99    0.531181E-04    0.370918E+02 -0.143207E-05 0.100000E-04    0.985945E+00
 100   -0.279468E-04    0.361526E+02  0.773024E-06 0.100000E-04    0.992143E+00
 101   -0.110728E-03    0.352207E+02  0.314382E-05 0.100000E-04    0.997045E+00
 102    0.591788E-04    0.290274E+02 -0.203872E-05 0.100000E-04    0.987885E+00
 103    0.205832E-04    0.288647E+02 -0.713093E-06 0.100000E-04    0.965441E+00
 104   -0.441627E-04    0.287260E+02  0.153738E-05 0.100000E-04    0.994432E+00
 105    0.297064E-04    0.231409E+02 -0.128372E-05 0.100000E-04    0.993079E+00
 106    0.756965E-06    0.219368E+02 -0.345067E-07 0.100000E-04    0.384972E+00
 107   -0.114975E-03    0.196760E+02  0.584342E-05 0.100000E-04    0.995684E+00
 108    0.728432E-04    0.167632E+02 -0.434543E-05 0.100000E-04    0.993053E+00
 109   -0.731537E-04    0.137959E+02  0.530256E-05 0.100000E-04    0.999061E+00
 110   -0.107143E-03    0.124179E+02  0.862812E-05 0.100000E-04    0.987428E+00
 111   -0.663286E-03    0.108461E+02  0.100000E-04 0.100000E-04    0.777615E+00
 112    0.770851E-05    0.952833E+01 -0.809010E-06 0.100000E-04    0.941000E+00
 113    0.796043E-02    0.760728E+01 -0.132305E-04 0.132305E-04    0.121239E+00
 114    0.349112E+00    0.478391E+01  0.400000E-03 0.400000E-03    0.213270E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7259163670E-01

 Beginning of optimization cycle  163.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3901944499
 potential> RMS force:                                               0.0328847684   |gradient|=.3511132457    
 Eigenvalues of the Hessian matrix:
   723.26286    671.63160    624.62841    604.15694    589.54930    565.38504 
   563.99227    479.21030    468.87671    462.69828    441.37911    431.08014 
   420.84704    406.37066    398.13685    388.62992    367.08335    363.31133 
   352.11420    341.09746    324.49377    321.93864    318.38524    317.00809 
   305.17597    287.51208    279.67217    271.14269    265.81711    262.67116 
   257.96152    253.50580    243.28486    238.68967    234.95581    228.64678 
   223.50934    212.71739    211.46347    209.10697    203.08056    198.29082 
   195.49411    191.61262    185.93941    177.25331    170.89556    167.96737 
   165.66477    160.33679    153.50801    150.99062    148.96907    142.80616 
   136.93650    135.02069    130.94081    127.65977    125.93185    125.00150 
   119.46442    117.94807    116.61975    112.17102    109.60693    105.32378 
   102.86797    100.23664     97.06992     95.09667     91.04812     90.91918 
    88.89797     84.56577     80.89022     79.31660     78.57288     72.85368 
    71.53708     68.81480     67.84796     63.41634     61.76790     59.65270 
    58.76600     55.85690     53.46062     52.24033     50.28632     47.96202 
    43.36446     39.98857     37.08782     36.14922     35.22810     29.02189 
    28.86069     28.72549     23.13691     21.93686     19.67879     16.76452 
    13.79522     12.41585     10.83388      9.53000      7.60702      4.78255 
overlap for current and previous eigenvector    109 is         0.9999983482
overlap for current and previous eigenvector    110 is         0.9999975212
overlap for current and previous eigenvector    111 is         0.9999945160
overlap for current and previous eigenvector    112 is         0.9999985127
overlap for current and previous eigenvector    113 is         0.9999988840
overlap for current and previous eigenvector    114 is         0.9999994999
J1,K1,R1,R2,RAT=   7   7   -0.2348378972E-01     2.023317685        0.9765162103    
FOB,PFOB,DIAG,PSTEP=   -0.5413935885E-06   -0.5289703288E-06     723.2628582        0.7314273901E-09
J1,K1,R1,R2,RAT=   8   8   -0.1670452954E-01     2.016660881        0.9832954705    
FOB,PFOB,DIAG,PSTEP=   -0.1674492156E-05   -0.1646979537E-05     671.6316032        0.2452260248E-08
J1,K1,R1,R2,RAT=   9   9   -0.8430774146E-02     2.008374953        0.9915692259    
FOB,PFOB,DIAG,PSTEP=    0.7723689213E-06    0.7659115141E-06     624.6284070       -0.1226221675E-08
J1,K1,R1,R2,RAT=  10  10    0.3762186990E-02     1.996207734        0.9962077336    
FOB,PFOB,DIAG,PSTEP=    0.1521663853E-05    0.1527410343E-05     604.1569426       -0.2528206179E-08
J1,K1,R1,R2,RAT=  11  11    0.2585420915E-03     1.999756071        0.9997414579    
FOB,PFOB,DIAG,PSTEP=   -0.1037192177E-05   -0.1037460403E-05     589.5492966        0.1759738886E-08
J1,K1,R1,R2,RAT= 109 109   -0.1617402329E-02     2.001718406        0.9983825977    
FOB,PFOB,DIAG,PSTEP=   -0.7327201317E-04   -0.7315370018E-04     13.79522482        0.5302559901E-05
J1,K1,R1,R2,RAT= 110 110   -0.5313378640E-02     2.005649253        0.9946866214    
FOB,PFOB,DIAG,PSTEP=   -0.1077125349E-03   -0.1071433374E-03     12.41584535        0.8628115446E-05
J1,K1,R1,R2,RAT= 111 111   -0.2315283363         12.47618520        0.7684716637    
FOB,PFOB,DIAG,PSTEP=   -0.6883691508E-03   -0.6632856511E-03     10.83387895        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8725449015E-02     2.008374683        0.9912745510    
FOB,PFOB,DIAG,PSTEP=    0.7775783397E-05    0.7708511375E-05     9.530003205       -0.8090095449E-06
J1,K1,R1,R2,RAT= 113 113   -0.7221950437         158.9105311        0.2778049563    
FOB,PFOB,DIAG,PSTEP=    0.8033115194E-02    0.7960429898E-02     7.607018415       -0.1323054068E-04
J1,K1,R1,R2,RAT= 114 114    0.9978587157        -365.9828077        0.2141284251E-02
FOB,PFOB,DIAG,PSTEP=    0.3510205525        0.3491116295         4.782548301        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00000 
     0.00001     -0.00000      0.00000     -0.00001      0.00001      0.00001 
    -0.00001     -0.00002     -0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001      0.00000     -0.00001      0.00000     -0.00002 
     0.00001      0.00003      0.00002      0.00002     -0.00004     -0.00001 
    -0.00003      0.00001      0.00001      0.00001      0.00001      0.00002 
     0.00003     -0.00003     -0.00000      0.00000     -0.00003      0.00002 
     0.00000     -0.00004      0.00004      0.00002      0.00003     -0.00001 
     0.00003     -0.00002      0.00005      0.00003      0.00011      0.00006 
     0.00002     -0.00004      0.00003     -0.00000      0.00012      0.00007 
    -0.00007     -0.00011     -0.00069      0.00001      0.00803      0.35102 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387687455
 Log product of positive Hessian eigenvalues =          520.3181310812
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7825483015
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000025
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000010
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000049
 Unscaled step for mode   17=       -0.0000000045
 Unscaled step for mode   18=       -0.0000000092
 Unscaled step for mode   19=       -0.0000000214
 Unscaled step for mode   20=       -0.0000000216
 Unscaled step for mode   21=       -0.0000000149
 Unscaled step for mode   22=       -0.0000000027
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000313
 Unscaled step for mode   26=        0.0000000515
 Unscaled step for mode   27=        0.0000000272
 Unscaled step for mode   28=        0.0000000089
 Unscaled step for mode   29=        0.0000000128
 Unscaled step for mode   30=        0.0000000456
 Unscaled step for mode   31=        0.0000000127
 Unscaled step for mode   32=        0.0000000046
 Unscaled step for mode   33=       -0.0000000208
 Unscaled step for mode   34=       -0.0000000112
 Unscaled step for mode   35=       -0.0000000625
 Unscaled step for mode   36=       -0.0000000169
 Unscaled step for mode   37=        0.0000000310
 Unscaled step for mode   38=        0.0000000140
 Unscaled step for mode   39=        0.0000000499
 Unscaled step for mode   40=       -0.0000000335
 Unscaled step for mode   41=       -0.0000000436
 Unscaled step for mode   42=        0.0000000174
 Unscaled step for mode   43=       -0.0000000160
 Unscaled step for mode   44=        0.0000000303
 Unscaled step for mode   45=       -0.0000000173
 Unscaled step for mode   46=       -0.0000000427
 Unscaled step for mode   47=        0.0000000917
 Unscaled step for mode   48=       -0.0000000005
 Unscaled step for mode   49=        0.0000000557
 Unscaled step for mode   50=       -0.0000000360
 Unscaled step for mode   51=        0.0000000398
 Unscaled step for mode   52=       -0.0000000006
 Unscaled step for mode   53=       -0.0000000412
 Unscaled step for mode   54=        0.0000000296
 Unscaled step for mode   55=       -0.0000000831
 Unscaled step for mode   56=        0.0000000293
 Unscaled step for mode   57=       -0.0000000181
 Unscaled step for mode   58=        0.0000000763
 Unscaled step for mode   59=       -0.0000000441
 Unscaled step for mode   60=       -0.0000000850
 Unscaled step for mode   61=        0.0000000709
 Unscaled step for mode   62=        0.0000001833
 Unscaled step for mode   63=        0.0000001249
 Unscaled step for mode   64=       -0.0000000439
 Unscaled step for mode   65=       -0.0000000022
 Unscaled step for mode   66=        0.0000001471
 Unscaled step for mode   67=       -0.0000000133
 Unscaled step for mode   68=       -0.0000000455
 Unscaled step for mode   69=       -0.0000000086
 Unscaled step for mode   70=        0.0000000979
 Unscaled step for mode   71=       -0.0000000091
 Unscaled step for mode   72=        0.0000002353
 Unscaled step for mode   73=       -0.0000001109
 Unscaled step for mode   74=       -0.0000002517
 Unscaled step for mode   75=       -0.0000002285
 Unscaled step for mode   76=       -0.0000002381
 Unscaled step for mode   77=        0.0000004746
 Unscaled step for mode   78=        0.0000000752
 Unscaled step for mode   79=        0.0000003555
 Unscaled step for mode   80=       -0.0000001378
 Unscaled step for mode   81=       -0.0000001529
 Unscaled step for mode   82=       -0.0000001882
 Unscaled step for mode   83=       -0.0000001243
 Unscaled step for mode   84=       -0.0000002362
 Unscaled step for mode   85=       -0.0000003979
 Unscaled step for mode   86=        0.0000004932
 Unscaled step for mode   87=        0.0000000359
 Unscaled step for mode   88=       -0.0000000223
 Unscaled step for mode   89=        0.0000005292
 Unscaled step for mode   90=       -0.0000002615
 Unscaled step for mode   91=       -0.0000000038
 Unscaled step for mode   92=        0.0000006996
 Unscaled step for mode   93=       -0.0000007001
 Unscaled step for mode   94=       -0.0000004479
 Unscaled step for mode   95=       -0.0000006778
 Unscaled step for mode   96=        0.0000002145
 Unscaled step for mode   97=       -0.0000005996
 Unscaled step for mode   98=        0.0000004744
 Unscaled step for mode   99=       -0.0000014444
 Unscaled step for mode  100=       -0.0000007666
 Unscaled step for mode  101=       -0.0000031503
 Unscaled step for mode  102=       -0.0000020531
 Unscaled step for mode  103=       -0.0000006897
 Unscaled step for mode  104=        0.0000015371
 Unscaled step for mode  105=       -0.0000012926
 Unscaled step for mode  106=        0.0000000216
 Unscaled step for mode  107=       -0.0000058555
 Unscaled step for mode  108=       -0.0000043301
 Unscaled step for mode  109=        0.0000053114
 Unscaled step for mode  110=        0.0000086754
 Unscaled step for mode  111=        0.0000635386
 Unscaled step for mode  112=       -0.0000008159
 Unscaled step for mode  113=       -0.0010560125
 Unscaled step for mode  114=        0.0730049522
 Largest modulus ratio of non-zero e/values=           151.2295982    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.748099E-16    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.263678E-15    0.100753E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.105558E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.104625E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.883625E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.448724E-15    0.973617E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.541394E-06    0.723263E+03  0.748543E-09 0.100000E-04    0.976516E+00
   8   -0.167449E-05    0.671632E+03  0.249317E-08 0.100000E-04    0.983295E+00
   9    0.772369E-06    0.624628E+03 -0.123653E-08 0.100000E-04    0.991569E+00
  10    0.152166E-05    0.604157E+03 -0.251866E-08 0.100000E-04    0.996208E+00
  11   -0.103719E-05    0.589549E+03  0.175930E-08 0.100000E-04    0.999741E+00
  12    0.326789E-05    0.565385E+03 -0.577993E-08 0.100000E-04    0.997652E+00
  13    0.563237E-06    0.563992E+03 -0.998661E-09 0.100000E-04    0.918589E+00
  14   -0.565461E-05    0.479210E+03  0.117999E-07 0.100000E-04    0.998276E+00
  15    0.180846E-05    0.468877E+03 -0.385701E-08 0.100000E-04    0.993905E+00
  16    0.225541E-05    0.462698E+03 -0.487447E-08 0.100000E-04    0.993784E+00
  17    0.199984E-05    0.441379E+03 -0.453090E-08 0.100000E-04    0.996822E+00
  18    0.395848E-05    0.431080E+03 -0.918270E-08 0.100000E-04    0.995732E+00
  19    0.899604E-05    0.420847E+03 -0.213760E-07 0.100000E-04    0.995508E+00
  20    0.876365E-05    0.406371E+03 -0.215656E-07 0.100000E-04    0.999903E+00
  21    0.594434E-05    0.398137E+03 -0.149304E-07 0.100000E-04    0.997024E+00
  22    0.106410E-05    0.388630E+03 -0.273807E-08 0.100000E-04    0.977091E+00
  23   -0.158041E-05    0.367083E+03  0.430532E-08 0.100000E-04    0.992070E+00
  24    0.171031E-05    0.363311E+03 -0.470757E-08 0.100000E-04    0.996213E+00
  25   -0.110213E-04    0.352114E+03  0.313004E-07 0.100000E-04    0.994709E+00
  26   -0.175557E-04    0.341097E+03  0.514683E-07 0.100000E-04    0.994254E+00
  27   -0.883847E-05    0.324494E+03  0.272377E-07 0.100000E-04    0.994211E+00
  28   -0.287423E-05    0.321939E+03  0.892788E-08 0.100000E-04    0.976599E+00
  29   -0.407654E-05    0.318385E+03  0.128038E-07 0.100000E-04    0.967430E+00
  30   -0.144684E-04    0.317008E+03  0.456404E-07 0.100000E-04    0.989165E+00
  31   -0.388388E-05    0.305176E+03  0.127267E-07 0.100000E-04    0.986402E+00
  32   -0.132538E-05    0.287512E+03  0.460983E-08 0.100000E-04    0.985634E+00
  33    0.582381E-05    0.279672E+03 -0.208237E-07 0.100000E-04    0.995775E+00
  34    0.303766E-05    0.271143E+03 -0.112032E-07 0.100000E-04    0.994908E+00
  35    0.166041E-04    0.265817E+03 -0.624645E-07 0.100000E-04    0.994652E+00
  36    0.444978E-05    0.262671E+03 -0.169405E-07 0.100000E-04    0.988554E+00
  37   -0.799581E-05    0.257962E+03  0.309961E-07 0.100000E-04    0.992976E+00
  38   -0.354827E-05    0.253506E+03  0.139968E-07 0.100000E-04    0.995032E+00
  39   -0.121437E-04    0.243285E+03  0.499157E-07 0.100000E-04    0.996003E+00
  40    0.799394E-05    0.238690E+03 -0.334909E-07 0.100000E-04    0.990477E+00
  41    0.102479E-04    0.234956E+03 -0.436162E-07 0.100000E-04    0.988565E+00
  42   -0.398126E-05    0.228647E+03  0.174123E-07 0.100000E-04    0.991009E+00
  43    0.356636E-05    0.223509E+03 -0.159562E-07 0.100000E-04    0.986933E+00
  44   -0.643555E-05    0.212717E+03  0.302540E-07 0.100000E-04    0.981464E+00
  45    0.366520E-05    0.211463E+03 -0.173325E-07 0.100000E-04    0.994503E+00
  46    0.893812E-05    0.209107E+03 -0.427442E-07 0.100000E-04    0.990251E+00
  47   -0.186287E-04    0.203081E+03  0.917307E-07 0.100000E-04    0.993442E+00
  48    0.998061E-07    0.198291E+03 -0.503332E-09 0.100000E-04    0.673232E+00
  49   -0.108836E-04    0.195494E+03  0.556723E-07 0.100000E-04    0.991591E+00
  50    0.690237E-05    0.191613E+03 -0.360225E-07 0.100000E-04    0.999665E+00
  51   -0.739115E-05    0.185939E+03  0.397503E-07 0.100000E-04    0.991755E+00
  52    0.111030E-06    0.177253E+03 -0.626394E-09 0.100000E-04    0.903545E+00
  53    0.703782E-05    0.170896E+03 -0.411820E-07 0.100000E-04    0.994664E+00
  54   -0.497410E-05    0.167967E+03  0.296135E-07 0.100000E-04    0.987364E+00
  55    0.137734E-04    0.165665E+03 -0.831403E-07 0.100000E-04    0.994966E+00
  56   -0.470097E-05    0.160337E+03  0.293193E-07 0.100000E-04    0.999026E+00
  57    0.277545E-05    0.153508E+03 -0.180802E-07 0.100000E-04    0.989160E+00
  58   -0.115279E-04    0.150991E+03  0.763484E-07 0.100000E-04    0.994272E+00
  59    0.656390E-05    0.148969E+03 -0.440621E-07 0.100000E-04    0.995481E+00
  60    0.121340E-04    0.142806E+03 -0.849682E-07 0.100000E-04    0.992516E+00
  61   -0.970248E-05    0.136937E+03  0.708538E-07 0.100000E-04    0.994444E+00
  62   -0.247517E-04    0.135021E+03  0.183318E-06 0.100000E-04    0.996735E+00
  63   -0.163608E-04    0.130941E+03  0.124948E-06 0.100000E-04    0.997277E+00
  64    0.560456E-05    0.127660E+03 -0.439023E-07 0.100000E-04    0.986200E+00
  65    0.280144E-06    0.125932E+03 -0.222457E-08 0.100000E-04    0.901925E+00
  66   -0.183852E-04    0.125001E+03  0.147080E-06 0.100000E-04    0.996155E+00
  67    0.158611E-05    0.119464E+03 -0.132768E-07 0.100000E-04    0.982002E+00
  68    0.536208E-05    0.117948E+03 -0.454614E-07 0.100000E-04    0.994715E+00
  69    0.998156E-06    0.116620E+03 -0.855906E-08 0.100000E-04    0.982779E+00
  70   -0.109817E-04    0.112171E+03  0.979015E-07 0.100000E-04    0.989961E+00
  71    0.100086E-05    0.109607E+03 -0.913137E-08 0.100000E-04    0.981094E+00
  72   -0.247856E-04    0.105324E+03  0.235328E-06 0.100000E-04    0.994852E+00
  73    0.114033E-04    0.102868E+03 -0.110854E-06 0.100000E-04    0.990534E+00
  74    0.252332E-04    0.100237E+03 -0.251737E-06 0.100000E-04    0.997460E+00
  75    0.221762E-04    0.970699E+02 -0.228456E-06 0.100000E-04    0.990041E+00
  76    0.226426E-04    0.950967E+02 -0.238101E-06 0.100000E-04    0.994600E+00
  77   -0.432075E-04    0.910481E+02  0.474557E-06 0.100000E-04    0.990395E+00
  78   -0.684128E-05    0.909192E+02  0.752457E-07 0.100000E-04    0.907000E+00
  79   -0.315997E-04    0.888980E+02  0.355461E-06 0.100000E-04    0.998004E+00
  80    0.116497E-04    0.845658E+02 -0.137760E-06 0.100000E-04    0.992233E+00
  81    0.123660E-04    0.808902E+02 -0.152874E-06 0.100000E-04    0.995574E+00
  82    0.149247E-04    0.793166E+02 -0.188166E-06 0.100000E-04    0.996658E+00
  83    0.976737E-05    0.785729E+02 -0.124310E-06 0.100000E-04    0.992131E+00
  84    0.172070E-04    0.728537E+02 -0.236186E-06 0.100000E-04    0.994655E+00
  85    0.284672E-04    0.715371E+02 -0.397936E-06 0.100000E-04    0.996741E+00
  86   -0.339390E-04    0.688148E+02  0.493193E-06 0.100000E-04    0.997839E+00
  87   -0.243551E-05    0.678480E+02  0.358965E-07 0.100000E-04    0.881113E+00
  88    0.141458E-05    0.634163E+02 -0.223062E-07 0.100000E-04    0.986302E+00
  89   -0.326898E-04    0.617679E+02  0.529236E-06 0.100000E-04    0.995477E+00
  90    0.156009E-04    0.596527E+02 -0.261528E-06 0.100000E-04    0.998089E+00
  91    0.225622E-06    0.587660E+02 -0.383933E-08 0.100000E-04    0.946373E+00
  92   -0.390783E-04    0.558569E+02  0.699615E-06 0.100000E-04    0.993527E+00
  93    0.374298E-04    0.534606E+02 -0.700138E-06 0.100000E-04    0.999868E+00
  94    0.233982E-04    0.522403E+02 -0.447896E-06 0.100000E-04    0.995411E+00
  95    0.340846E-04    0.502863E+02 -0.677811E-06 0.100000E-04    0.999578E+00
  96   -0.102879E-04    0.479620E+02  0.214501E-06 0.100000E-04    0.994620E+00
  97    0.260013E-04    0.433645E+02 -0.599600E-06 0.100000E-04    0.996964E+00
  98   -0.189687E-04    0.399886E+02  0.474353E-06 0.100000E-04    0.994515E+00
  99    0.535707E-04    0.370878E+02 -0.144443E-05 0.100000E-04    0.991480E+00
 100    0.277104E-04    0.361492E+02 -0.766557E-06 0.100000E-04    0.991541E+00
 101    0.110980E-03    0.352281E+02 -0.315033E-05 0.100000E-04    0.997718E+00
 102    0.595842E-04    0.290219E+02 -0.205308E-05 0.100000E-04    0.993148E+00
 103    0.199040E-04    0.288607E+02 -0.689658E-06 0.100000E-04    0.966998E+00
 104   -0.441553E-04    0.287255E+02  0.153715E-05 0.100000E-04    0.999831E+00
 105    0.299060E-04    0.231369E+02 -0.129257E-05 0.100000E-04    0.993279E+00
 106   -0.473402E-06    0.219369E+02  0.215802E-07 0.100000E-04    0.625387E+00
 107    0.115229E-03    0.196788E+02 -0.585549E-05 0.100000E-04    0.997795E+00
 108    0.725922E-04    0.167645E+02 -0.433011E-05 0.100000E-04    0.996393E+00
 109   -0.732720E-04    0.137952E+02  0.531140E-05 0.100000E-04    0.998383E+00
 110   -0.107713E-03    0.124158E+02  0.867541E-05 0.100000E-04    0.994687E+00
 111   -0.688369E-03    0.108339E+02  0.100000E-04 0.100000E-04    0.768472E+00
 112    0.777578E-05    0.953000E+01 -0.815927E-06 0.100000E-04    0.991275E+00
 113    0.803312E-02    0.760702E+01 -0.119194E-04 0.119194E-04    0.277805E+00
 114    0.351021E+00    0.478255E+01  0.400000E-03 0.400000E-03    0.214128E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7300495221E-01

 Beginning of optimization cycle  164.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3900537623
 potential> RMS force:                                               0.0330636363   |gradient|=.3530230323    
 Eigenvalues of the Hessian matrix:
   723.32299    671.64632    624.64582    604.16578    589.54504    565.40681 
   564.02873    479.22914    468.85390    462.68815    441.37760    431.07054 
   420.85459    406.38149    398.13290    388.63320    367.08623    363.30129 
   352.10578    341.05990    324.49999    321.92947    318.39388    316.99257 
   305.17215    287.51604    279.66735    271.13718    265.81937    262.68082 
   257.96764    253.50805    243.27495    238.67645    234.96746    228.64856 
   223.49016    212.71960    211.46858    209.09406    203.08366    198.28671 
   195.49541    191.61251    185.93072    177.23900    170.89991    167.96392 
   165.66327    160.33145    153.50666    150.98956    148.97391    142.80958 
   136.93688    135.02600    130.93946    127.65970    125.93473    125.00758 
   119.46547    117.94834    116.62300    112.16360    109.59666    105.32007 
   102.86913    100.23257     97.06592     95.09741     91.05613     90.91358 
    88.90903     84.56763     80.89046     79.32016     78.57075     72.85140 
    71.54045     68.80564     67.84952     63.41557     61.75907     59.65263 
    58.76880     55.85789     53.45700     52.23975     50.28563     47.96090 
    43.36015     39.99112     37.08395     36.14584     35.23554     29.01659 
    28.85659     28.72492     23.13289     21.93693     19.68161     16.76586 
    13.79454     12.41377     10.82170      9.53166      7.60675      4.78116 
overlap for current and previous eigenvector    109 is         0.9999983712
overlap for current and previous eigenvector    110 is         0.9999975690
overlap for current and previous eigenvector    111 is         0.9999945369
overlap for current and previous eigenvector    112 is         0.9999984624
overlap for current and previous eigenvector    113 is         0.9999988719
overlap for current and previous eigenvector    114 is         0.9999995026
J1,K1,R1,R2,RAT=   7   7   -0.2876324148E-01     2.028596971        0.9712367585    
FOB,PFOB,DIAG,PSTEP=   -0.5569671178E-06   -0.5413935885E-06     723.3229920        0.7485433303E-09
J1,K1,R1,R2,RAT=   8   8   -0.1555609986E-02     2.001511775        0.9984443900    
FOB,PFOB,DIAG,PSTEP=   -0.1677097070E-05   -0.1674492156E-05     671.6463240        0.2493170583E-08
J1,K1,R1,R2,RAT=   9   9    0.7955581959E-02     1.991988656        0.9919886555    
FOB,PFOB,DIAG,PSTEP=    0.7662241057E-06    0.7723689213E-06     624.6458229       -0.1236525449E-08
J1,K1,R1,R2,RAT=  10  10   -0.7830571879E-02     2.007801318        0.9921694281    
FOB,PFOB,DIAG,PSTEP=    0.1533579526E-05    0.1521663853E-05     604.1657797       -0.2518656571E-08
J1,K1,R1,R2,RAT=  11  11   -0.3780051044E-02     2.003794494        0.9962199490    
FOB,PFOB,DIAG,PSTEP=   -0.1041112788E-05   -0.1037192177E-05     589.5450394        0.1759296777E-08
J1,K1,R1,R2,RAT= 109 109   -0.8824609819E-03     2.000981297        0.9991175390    
FOB,PFOB,DIAG,PSTEP=   -0.7333666967E-04   -0.7327201317E-04     13.79454313        0.5311404062E-05
J1,K1,R1,R2,RAT= 110 110   -0.1228012658E-01     2.012613745        0.9877198734    
FOB,PFOB,DIAG,PSTEP=   -0.1090350379E-03   -0.1077125349E-03     12.41377462        0.8675408873E-05
J1,K1,R1,R2,RAT= 111 111   -0.2309663016         12.95297959        0.7690336984    
FOB,PFOB,DIAG,PSTEP=   -0.7133636345E-03   -0.6883691508E-03     10.82170149        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6017777002E-01     1.939474258        0.9394742577    
FOB,PFOB,DIAG,PSTEP=    0.7307772664E-05    0.7775783397E-05     9.531661582       -0.8159266298E-06
J1,K1,R1,R2,RAT= 113 113   -0.9121225919         178.1105909        0.8787740815E-01
FOB,PFOB,DIAG,PSTEP=    0.8115815524E-02    0.8033115194E-02     7.606754730       -0.1191940601E-04
J1,K1,R1,R2,RAT= 114 114    0.9978460447        -368.0849217        0.2153955316E-02
FOB,PFOB,DIAG,PSTEP=    0.3529288980        0.3510205525         4.781161962        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001      0.00001     -0.00001      0.00000      0.00001     -0.00001 
     0.00001     -0.00000      0.00000     -0.00001      0.00001      0.00001 
     0.00001     -0.00002     -0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001      0.00000     -0.00001      0.00000     -0.00002 
     0.00001      0.00003      0.00002     -0.00002      0.00004      0.00001 
    -0.00003      0.00001     -0.00001     -0.00001      0.00001      0.00002 
     0.00003     -0.00003      0.00000      0.00000     -0.00003      0.00002 
     0.00000     -0.00004      0.00004      0.00002      0.00003     -0.00001 
     0.00003     -0.00002     -0.00005     -0.00003     -0.00011      0.00006 
     0.00002     -0.00004      0.00003     -0.00000      0.00012      0.00007 
    -0.00007     -0.00011     -0.00071      0.00001      0.00812      0.35293 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387678570
 Log product of positive Hessian eigenvalues =          520.3159118532
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7811619620
 Unscaled step for mode    7=        0.0000000008
 Unscaled step for mode    8=        0.0000000025
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000010
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000049
 Unscaled step for mode   17=       -0.0000000046
 Unscaled step for mode   18=       -0.0000000092
 Unscaled step for mode   19=       -0.0000000215
 Unscaled step for mode   20=       -0.0000000216
 Unscaled step for mode   21=       -0.0000000150
 Unscaled step for mode   22=       -0.0000000028
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000315
 Unscaled step for mode   26=        0.0000000518
 Unscaled step for mode   27=        0.0000000274
 Unscaled step for mode   28=        0.0000000087
 Unscaled step for mode   29=        0.0000000123
 Unscaled step for mode   30=        0.0000000461
 Unscaled step for mode   31=        0.0000000128
 Unscaled step for mode   32=        0.0000000047
 Unscaled step for mode   33=       -0.0000000210
 Unscaled step for mode   34=       -0.0000000113
 Unscaled step for mode   35=       -0.0000000627
 Unscaled step for mode   36=       -0.0000000172
 Unscaled step for mode   37=        0.0000000312
 Unscaled step for mode   38=        0.0000000140
 Unscaled step for mode   39=        0.0000000502
 Unscaled step for mode   40=       -0.0000000337
 Unscaled step for mode   41=       -0.0000000441
 Unscaled step for mode   42=        0.0000000175
 Unscaled step for mode   43=       -0.0000000161
 Unscaled step for mode   44=        0.0000000305
 Unscaled step for mode   45=       -0.0000000174
 Unscaled step for mode   46=       -0.0000000430
 Unscaled step for mode   47=        0.0000000921
 Unscaled step for mode   48=       -0.0000000006
 Unscaled step for mode   49=        0.0000000560
 Unscaled step for mode   50=       -0.0000000363
 Unscaled step for mode   51=        0.0000000399
 Unscaled step for mode   52=       -0.0000000006
 Unscaled step for mode   53=       -0.0000000413
 Unscaled step for mode   54=        0.0000000298
 Unscaled step for mode   55=       -0.0000000835
 Unscaled step for mode   56=        0.0000000295
 Unscaled step for mode   57=       -0.0000000182
 Unscaled step for mode   58=        0.0000000769
 Unscaled step for mode   59=       -0.0000000440
 Unscaled step for mode   60=       -0.0000000852
 Unscaled step for mode   61=       -0.0000000715
 Unscaled step for mode   62=        0.0000001841
 Unscaled step for mode   63=        0.0000001257
 Unscaled step for mode   64=       -0.0000000444
 Unscaled step for mode   65=       -0.0000000022
 Unscaled step for mode   66=        0.0000001479
 Unscaled step for mode   67=       -0.0000000132
 Unscaled step for mode   68=       -0.0000000458
 Unscaled step for mode   69=       -0.0000000089
 Unscaled step for mode   70=        0.0000000984
 Unscaled step for mode   71=       -0.0000000094
 Unscaled step for mode   72=        0.0000002372
 Unscaled step for mode   73=       -0.0000001118
 Unscaled step for mode   74=       -0.0000002529
 Unscaled step for mode   75=       -0.0000002303
 Unscaled step for mode   76=        0.0000002392
 Unscaled step for mode   77=       -0.0000004778
 Unscaled step for mode   78=       -0.0000000692
 Unscaled step for mode   79=        0.0000003554
 Unscaled step for mode   80=       -0.0000001386
 Unscaled step for mode   81=        0.0000001537
 Unscaled step for mode   82=        0.0000001881
 Unscaled step for mode   83=       -0.0000001244
 Unscaled step for mode   84=       -0.0000002384
 Unscaled step for mode   85=       -0.0000004005
 Unscaled step for mode   86=        0.0000004946
 Unscaled step for mode   87=       -0.0000000391
 Unscaled step for mode   88=       -0.0000000230
 Unscaled step for mode   89=        0.0000005324
 Unscaled step for mode   90=       -0.0000002639
 Unscaled step for mode   91=       -0.0000000042
 Unscaled step for mode   92=        0.0000007031
 Unscaled step for mode   93=       -0.0000007023
 Unscaled step for mode   94=       -0.0000004518
 Unscaled step for mode   95=       -0.0000006791
 Unscaled step for mode   96=        0.0000002143
 Unscaled step for mode   97=       -0.0000006040
 Unscaled step for mode   98=        0.0000004772
 Unscaled step for mode   99=        0.0000014645
 Unscaled step for mode  100=        0.0000007600
 Unscaled step for mode  101=        0.0000031587
 Unscaled step for mode  102=       -0.0000020765
 Unscaled step for mode  103=       -0.0000006651
 Unscaled step for mode  104=        0.0000015458
 Unscaled step for mode  105=       -0.0000013017
 Unscaled step for mode  106=        0.0000000348
 Unscaled step for mode  107=       -0.0000058791
 Unscaled step for mode  108=       -0.0000042995
 Unscaled step for mode  109=        0.0000053164
 Unscaled step for mode  110=        0.0000087834
 Unscaled step for mode  111=        0.0000659197
 Unscaled step for mode  112=       -0.0000007667
 Unscaled step for mode  113=       -0.0010669210
 Unscaled step for mode  114=        0.0734186602
 Largest modulus ratio of non-zero e/values=           151.2860258    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.938269E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.173472E-15    0.100753E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.280483E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.369496E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.332123E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.136122E-15    0.973619E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.556967E-06    0.723323E+03  0.770012E-09 0.100000E-04    0.971237E+00
   8   -0.167710E-05    0.671646E+03  0.249699E-08 0.100000E-04    0.998444E+00
   9    0.766224E-06    0.624646E+03 -0.122665E-08 0.100000E-04    0.991989E+00
  10    0.153358E-05    0.604166E+03 -0.253834E-08 0.100000E-04    0.992169E+00
  11   -0.104111E-05    0.589545E+03  0.176596E-08 0.100000E-04    0.996220E+00
  12    0.326768E-05    0.565407E+03 -0.577934E-08 0.100000E-04    0.999858E+00
  13    0.539108E-06    0.564029E+03 -0.955817E-09 0.100000E-04    0.957034E+00
  14   -0.565549E-05    0.479229E+03  0.118012E-07 0.100000E-04    0.999845E+00
  15    0.179931E-05    0.468854E+03 -0.383768E-08 0.100000E-04    0.994939E+00
  16    0.228183E-05    0.462688E+03 -0.493168E-08 0.100000E-04    0.988286E+00
  17    0.202844E-05    0.441378E+03 -0.459570E-08 0.100000E-04    0.985701E+00
  18    0.396692E-05    0.431071E+03 -0.920249E-08 0.100000E-04    0.997868E+00
  19    0.904641E-05    0.420855E+03 -0.214953E-07 0.100000E-04    0.994401E+00
  20    0.878473E-05    0.406381E+03 -0.216169E-07 0.100000E-04    0.997594E+00
  21    0.597207E-05    0.398133E+03 -0.150002E-07 0.100000E-04    0.995335E+00
  22    0.109495E-05    0.388633E+03 -0.281744E-08 0.100000E-04    0.971007E+00
  23   -0.157705E-05    0.367086E+03  0.429614E-08 0.100000E-04    0.997860E+00
  24    0.170200E-05    0.363301E+03 -0.468481E-08 0.100000E-04    0.995137E+00
  25   -0.110761E-04    0.352106E+03  0.314567E-07 0.100000E-04    0.995030E+00
  26   -0.176618E-04    0.341060E+03  0.517849E-07 0.100000E-04    0.993958E+00
  27   -0.887899E-05    0.324500E+03  0.273621E-07 0.100000E-04    0.995416E+00
  28   -0.279869E-05    0.321929E+03  0.869349E-08 0.100000E-04    0.973718E+00
  29   -0.391335E-05    0.318394E+03  0.122909E-07 0.100000E-04    0.959915E+00
  30   -0.145990E-04    0.316993E+03  0.460546E-07 0.100000E-04    0.990975E+00
  31   -0.391143E-05    0.305172E+03  0.128171E-07 0.100000E-04    0.992906E+00
  32   -0.135184E-05    0.287516E+03  0.470179E-08 0.100000E-04    0.980036E+00
  33    0.586521E-05    0.279667E+03 -0.209721E-07 0.100000E-04    0.992891E+00
  34    0.307518E-05    0.271137E+03 -0.113418E-07 0.100000E-04    0.987648E+00
  35    0.166645E-04    0.265819E+03 -0.626909E-07 0.100000E-04    0.996366E+00
  36    0.450607E-05    0.262681E+03 -0.171542E-07 0.100000E-04    0.987349E+00
  37   -0.804773E-05    0.257968E+03  0.311967E-07 0.100000E-04    0.993507E+00
  38   -0.354889E-05    0.253508E+03  0.139991E-07 0.100000E-04    0.999826E+00
  39   -0.122046E-04    0.243275E+03  0.501680E-07 0.100000E-04    0.994987E+00
  40    0.805111E-05    0.238676E+03 -0.337323E-07 0.100000E-04    0.992848E+00
  41    0.103621E-04    0.234967E+03 -0.441003E-07 0.100000E-04    0.988852E+00
  42   -0.400796E-05    0.228649E+03  0.175289E-07 0.100000E-04    0.993294E+00
  43    0.359194E-05    0.223490E+03 -0.160720E-07 0.100000E-04    0.992825E+00
  44   -0.648615E-05    0.212720E+03  0.304915E-07 0.100000E-04    0.992138E+00
  45    0.367387E-05    0.211469E+03 -0.173731E-07 0.100000E-04    0.997633E+00
  46    0.899117E-05    0.209094E+03 -0.430006E-07 0.100000E-04    0.994064E+00
  47   -0.187108E-04    0.203084E+03  0.921337E-07 0.100000E-04    0.995592E+00
  48    0.120048E-06    0.198287E+03 -0.605425E-09 0.100000E-04    0.797187E+00
  49   -0.109439E-04    0.195495E+03  0.559805E-07 0.100000E-04    0.994458E+00
  50    0.696307E-05    0.191613E+03 -0.363393E-07 0.100000E-04    0.991206E+00
  51   -0.742213E-05    0.185931E+03  0.399188E-07 0.100000E-04    0.995809E+00
  52    0.107372E-06    0.177239E+03 -0.605803E-09 0.100000E-04    0.967047E+00
  53    0.706351E-05    0.170900E+03 -0.413313E-07 0.100000E-04    0.996350E+00
  54   -0.501214E-05    0.167964E+03  0.298406E-07 0.100000E-04    0.992352E+00
  55    0.138263E-04    0.165663E+03 -0.834604E-07 0.100000E-04    0.996159E+00
  56   -0.472922E-05    0.160331E+03  0.294965E-07 0.100000E-04    0.993989E+00
  57    0.279806E-05    0.153507E+03 -0.182276E-07 0.100000E-04    0.991855E+00
  58   -0.116089E-04    0.150990E+03  0.768855E-07 0.100000E-04    0.992973E+00
  59    0.655329E-05    0.148974E+03 -0.439895E-07 0.100000E-04    0.998319E+00
  60    0.121741E-04    0.142810E+03 -0.852474E-07 0.100000E-04    0.996691E+00
  61    0.979053E-05    0.136937E+03 -0.714967E-07 0.100000E-04    0.990925E+00
  62   -0.248571E-04    0.135026E+03  0.184091E-06 0.100000E-04    0.995742E+00
  63   -0.164616E-04    0.130939E+03  0.125719E-06 0.100000E-04    0.993840E+00
  64    0.566889E-05    0.127660E+03 -0.444063E-07 0.100000E-04    0.988522E+00
  65    0.276957E-06    0.125935E+03 -0.219921E-08 0.100000E-04    0.988576E+00
  66   -0.184922E-04    0.125008E+03  0.147929E-06 0.100000E-04    0.994182E+00
  67    0.157988E-05    0.119465E+03 -0.132245E-07 0.100000E-04    0.996054E+00
  68    0.539870E-05    0.117948E+03 -0.457717E-07 0.100000E-04    0.993171E+00
  69    0.103457E-05    0.116623E+03 -0.887105E-08 0.100000E-04    0.963521E+00
  70   -0.110415E-04    0.112164E+03  0.984415E-07 0.100000E-04    0.994551E+00
  71    0.102539E-05    0.109597E+03 -0.935607E-08 0.100000E-04    0.975485E+00
  72   -0.249853E-04    0.105320E+03  0.237232E-06 0.100000E-04    0.991945E+00
  73    0.114995E-04    0.102869E+03 -0.111788E-06 0.100000E-04    0.991566E+00
  74    0.253500E-04    0.100233E+03 -0.252912E-06 0.100000E-04    0.995372E+00
  75    0.223577E-04    0.970659E+02 -0.230336E-06 0.100000E-04    0.991813E+00
  76   -0.227488E-04    0.950974E+02  0.239216E-06 0.100000E-04    0.995308E+00
  77    0.435076E-04    0.910561E+02 -0.477811E-06 0.100000E-04    0.993055E+00
  78    0.629451E-05    0.909136E+02 -0.692362E-07 0.100000E-04    0.920073E+00
  79   -0.316007E-04    0.889090E+02  0.355427E-06 0.100000E-04    0.999782E+00
  80    0.117214E-04    0.845676E+02 -0.138603E-06 0.100000E-04    0.993853E+00
  81   -0.124364E-04    0.808905E+02  0.153744E-06 0.100000E-04    0.994307E+00
  82   -0.149211E-04    0.793202E+02  0.188112E-06 0.100000E-04    0.999666E+00
  83    0.977432E-05    0.785707E+02 -0.124402E-06 0.100000E-04    0.999289E+00
  84    0.173677E-04    0.728514E+02 -0.238399E-06 0.100000E-04    0.990661E+00
  85    0.286555E-04    0.715405E+02 -0.400549E-06 0.100000E-04    0.993387E+00
  86   -0.340330E-04    0.688056E+02  0.494626E-06 0.100000E-04    0.997228E+00
  87    0.265528E-05    0.678495E+02 -0.391348E-07 0.100000E-04    0.909767E+00
  88    0.145968E-05    0.634156E+02 -0.230177E-07 0.100000E-04    0.968113E+00
  89   -0.328782E-04    0.617591E+02  0.532362E-06 0.100000E-04    0.994235E+00
  90    0.157438E-04    0.596526E+02 -0.263925E-06 0.100000E-04    0.990838E+00
  91    0.248029E-06    0.587688E+02 -0.422043E-08 0.100000E-04    0.900692E+00
  92   -0.392724E-04    0.558579E+02  0.703077E-06 0.100000E-04    0.995034E+00
  93    0.375433E-04    0.534570E+02 -0.702308E-06 0.100000E-04    0.996967E+00
  94    0.235996E-04    0.522398E+02 -0.451756E-06 0.100000E-04    0.991394E+00
  95    0.341493E-04    0.502856E+02 -0.679107E-06 0.100000E-04    0.998102E+00
  96   -0.102781E-04    0.479609E+02  0.214301E-06 0.100000E-04    0.999048E+00
  97    0.261888E-04    0.433602E+02 -0.603984E-06 0.100000E-04    0.992787E+00
  98   -0.190823E-04    0.399911E+02  0.477164E-06 0.100000E-04    0.994010E+00
  99   -0.543092E-04    0.370839E+02  0.146449E-05 0.100000E-04    0.986212E+00
 100   -0.274710E-04    0.361458E+02  0.760006E-06 0.100000E-04    0.991359E+00
 101   -0.111297E-03    0.352355E+02  0.315867E-05 0.100000E-04    0.997143E+00
 102    0.602537E-04    0.290166E+02 -0.207653E-05 0.100000E-04    0.988761E+00
 103    0.191920E-04    0.288566E+02 -0.665080E-06 0.100000E-04    0.964221E+00
 104   -0.444022E-04    0.287249E+02  0.154577E-05 0.100000E-04    0.994407E+00
 105    0.301112E-04    0.231329E+02 -0.130166E-05 0.100000E-04    0.993137E+00
 106   -0.762578E-06    0.219369E+02  0.347623E-07 0.100000E-04    0.389156E+00
 107    0.115710E-03    0.196816E+02 -0.587908E-05 0.100000E-04    0.995827E+00
 108    0.720854E-04    0.167659E+02 -0.429953E-05 0.100000E-04    0.992859E+00
 109   -0.733367E-04    0.137945E+02  0.531635E-05 0.100000E-04    0.999118E+00
 110   -0.109035E-03    0.124138E+02  0.878339E-05 0.100000E-04    0.987720E+00
 111   -0.713364E-03    0.108217E+02  0.100000E-04 0.100000E-04    0.769034E+00
 112    0.730777E-05    0.953166E+01 -0.766684E-06 0.100000E-04    0.939474E+00
 113    0.811582E-02    0.760675E+01 -0.129922E-04 0.129922E-04    0.878774E-01
 114    0.352929E+00    0.478116E+01  0.400000E-03 0.400000E-03    0.215396E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7341866020E-01

 Beginning of optimization cycle  165.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3899123214
 potential> RMS force:                                               0.0332424323   |gradient|=.3549320508    
 Eigenvalues of the Hessian matrix:
   723.38309    671.66091    624.66313    604.17462    589.54062    565.42875 
   564.06506    479.24802    468.83108    462.67808    441.37614    431.06104 
   420.86217    406.39234    398.12895    388.63647    367.08917    363.29123 
   352.09745    341.02245    324.50627    321.92047    318.40287    316.97652 
   305.16833    287.52004    279.66252    271.13174    265.82172    262.69054 
   257.97392    253.51032    243.26515    238.66327    234.97915    228.65033 
   223.47098    212.72193    211.47372    209.08115    203.08680    198.28264 
   195.49668    191.61240    185.92201    177.22469    170.90429    167.96048 
   165.66175    160.32605    153.50541    150.98851    148.97865    142.81297 
   136.93727    135.03135    130.93807    127.65966    125.93758    125.01363 
   119.46653    117.94861    116.62622    112.15618    109.58632    105.31635 
   102.87029    100.22852     97.06184     95.09813     91.06424     90.90796 
    88.92007     84.56950     80.89072     79.32372     78.56861     72.84911 
    71.54379     68.79647     67.85098     63.41481     61.75015     59.65256 
    58.77158     55.85886     53.45333     52.23918     50.28492     47.95975 
    43.35585     39.99365     37.08017     36.14227     35.24293     29.01147 
    28.85236     28.72427     23.12891     21.93698     19.68443     16.76718 
    13.79387     12.41173     10.80949      9.53332      7.60646      4.77974 
overlap for current and previous eigenvector    109 is         0.9999983894
overlap for current and previous eigenvector    110 is         0.9999976225
overlap for current and previous eigenvector    111 is        -0.9999945453
overlap for current and previous eigenvector    112 is        -0.9999984015
overlap for current and previous eigenvector    113 is         0.9999988601
overlap for current and previous eigenvector    114 is        -0.9999995054
J1,K1,R1,R2,RAT=   7   7   -0.2277911029E-01     2.022612953        0.9772208897    
FOB,PFOB,DIAG,PSTEP=   -0.5696553873E-06   -0.5569671178E-06     723.3830895        0.7700116324E-09
J1,K1,R1,R2,RAT=   8   8   -0.1634783927E-01     2.016304409        0.9836521607    
FOB,PFOB,DIAG,PSTEP=   -0.1704514578E-05   -0.1677097070E-05     671.6609091        0.2496994340E-08
J1,K1,R1,R2,RAT=   9   9   -0.8105393019E-02     2.008049984        0.9918946070    
FOB,PFOB,DIAG,PSTEP=    0.7724348253E-06    0.7662241057E-06     624.6631288       -0.1226653693E-08
J1,K1,R1,R2,RAT=  10  10    0.3730559698E-02     1.996240183        0.9962401829    
FOB,PFOB,DIAG,PSTEP=    0.1527858332E-05    0.1533579526E-05     604.1746180       -0.2538342252E-08
J1,K1,R1,R2,RAT=  11  11    0.2226177175E-03     1.999792365        0.9997773823    
FOB,PFOB,DIAG,PSTEP=   -0.1040881020E-05   -0.1041112788E-05     589.5406229        0.1765959713E-08
J1,K1,R1,R2,RAT= 109 109   -0.1560500086E-02     2.001658070        0.9984394999    
FOB,PFOB,DIAG,PSTEP=   -0.7345110596E-04   -0.7333666967E-04     13.79387019        0.5316353648E-05
J1,K1,R1,R2,RAT= 110 110   -0.5173079752E-02     2.005502150        0.9948269202    
FOB,PFOB,DIAG,PSTEP=   -0.1095989920E-03   -0.1090350379E-03     12.41173246        0.8783391127E-05
J1,K1,R1,R2,RAT= 111 111     13.43891738       -0.2400818374        0.7599181626    
FOB,PFOB,DIAG,PSTEP=    0.7393152651E-03   -0.7133636345E-03     10.80949349        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.011026595       -0.1137406077E-01    0.9886259392    
FOB,PFOB,DIAG,PSTEP=   -0.7390906158E-05    0.7307772664E-05     9.533317835       -0.7666840248E-06
J1,K1,R1,R2,RAT= 113 113   -0.7527192974         165.0001428        0.2472807026    
FOB,PFOB,DIAG,PSTEP=    0.8190202456E-02    0.8115815524E-02     7.606458241       -0.1299215256E-04
J1,K1,R1,R2,RAT= 114 114    -370.1901502        0.9978370971        0.2162902870E-02
FOB,PFOB,DIAG,PSTEP=   -0.3548366600        0.3529288980         4.779743313        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000      0.00001     -0.00001 
    -0.00001     -0.00000      0.00000     -0.00001     -0.00001     -0.00001 
    -0.00001     -0.00002     -0.00002      0.00001      0.00000     -0.00002 
     0.00000     -0.00001     -0.00000      0.00001      0.00000     -0.00003 
    -0.00001      0.00003      0.00002     -0.00002     -0.00004     -0.00001 
     0.00003      0.00001     -0.00001      0.00001      0.00001     -0.00002 
    -0.00003     -0.00003     -0.00000     -0.00000      0.00003      0.00002 
    -0.00000     -0.00004     -0.00004      0.00002     -0.00003      0.00001 
    -0.00003     -0.00002     -0.00005      0.00003      0.00011      0.00006 
     0.00002     -0.00004      0.00003     -0.00000      0.00012     -0.00007 
    -0.00007     -0.00011      0.00074     -0.00001      0.00819     -0.35484 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387686576
 Log product of positive Hessian eigenvalues =          520.3136720655
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7797433134
 Unscaled step for mode    7=        0.0000000008
 Unscaled step for mode    8=        0.0000000025
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000009
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000050
 Unscaled step for mode   17=       -0.0000000046
 Unscaled step for mode   18=       -0.0000000092
 Unscaled step for mode   19=       -0.0000000216
 Unscaled step for mode   20=       -0.0000000216
 Unscaled step for mode   21=       -0.0000000150
 Unscaled step for mode   22=       -0.0000000029
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000047
 Unscaled step for mode   25=        0.0000000316
 Unscaled step for mode   26=        0.0000000521
 Unscaled step for mode   27=        0.0000000275
 Unscaled step for mode   28=        0.0000000085
 Unscaled step for mode   29=        0.0000000119
 Unscaled step for mode   30=        0.0000000465
 Unscaled step for mode   31=        0.0000000130
 Unscaled step for mode   32=        0.0000000048
 Unscaled step for mode   33=       -0.0000000211
 Unscaled step for mode   34=       -0.0000000114
 Unscaled step for mode   35=       -0.0000000630
 Unscaled step for mode   36=       -0.0000000173
 Unscaled step for mode   37=        0.0000000314
 Unscaled step for mode   38=        0.0000000141
 Unscaled step for mode   39=        0.0000000504
 Unscaled step for mode   40=       -0.0000000340
 Unscaled step for mode   41=       -0.0000000446
 Unscaled step for mode   42=        0.0000000177
 Unscaled step for mode   43=       -0.0000000163
 Unscaled step for mode   44=        0.0000000310
 Unscaled step for mode   45=       -0.0000000173
 Unscaled step for mode   46=       -0.0000000434
 Unscaled step for mode   47=        0.0000000927
 Unscaled step for mode   48=       -0.0000000007
 Unscaled step for mode   49=        0.0000000564
 Unscaled step for mode   50=        0.0000000364
 Unscaled step for mode   51=        0.0000000402
 Unscaled step for mode   52=       -0.0000000005
 Unscaled step for mode   53=       -0.0000000415
 Unscaled step for mode   54=        0.0000000302
 Unscaled step for mode   55=        0.0000000839
 Unscaled step for mode   56=        0.0000000295
 Unscaled step for mode   57=       -0.0000000184
 Unscaled step for mode   58=        0.0000000773
 Unscaled step for mode   59=        0.0000000442
 Unscaled step for mode   60=        0.0000000859
 Unscaled step for mode   61=        0.0000000719
 Unscaled step for mode   62=        0.0000001847
 Unscaled step for mode   63=        0.0000001261
 Unscaled step for mode   64=       -0.0000000450
 Unscaled step for mode   65=       -0.0000000020
 Unscaled step for mode   66=        0.0000001485
 Unscaled step for mode   67=       -0.0000000135
 Unscaled step for mode   68=        0.0000000460
 Unscaled step for mode   69=        0.0000000090
 Unscaled step for mode   70=       -0.0000000994
 Unscaled step for mode   71=       -0.0000000095
 Unscaled step for mode   72=        0.0000002385
 Unscaled step for mode   73=        0.0000001128
 Unscaled step for mode   74=       -0.0000002535
 Unscaled step for mode   75=       -0.0000002326
 Unscaled step for mode   76=        0.0000002405
 Unscaled step for mode   77=        0.0000004817
 Unscaled step for mode   78=        0.0000000640
 Unscaled step for mode   79=       -0.0000003547
 Unscaled step for mode   80=       -0.0000001397
 Unscaled step for mode   81=        0.0000001544
 Unscaled step for mode   82=       -0.0000001875
 Unscaled step for mode   83=       -0.0000001254
 Unscaled step for mode   84=        0.0000002397
 Unscaled step for mode   85=        0.0000004018
 Unscaled step for mode   86=        0.0000004957
 Unscaled step for mode   87=        0.0000000431
 Unscaled step for mode   88=        0.0000000227
 Unscaled step for mode   89=       -0.0000005348
 Unscaled step for mode   90=       -0.0000002644
 Unscaled step for mode   91=        0.0000000044
 Unscaled step for mode   92=        0.0000007075
 Unscaled step for mode   93=        0.0000007024
 Unscaled step for mode   94=       -0.0000004538
 Unscaled step for mode   95=        0.0000006788
 Unscaled step for mode   96=       -0.0000002154
 Unscaled step for mode   97=        0.0000006059
 Unscaled step for mode   98=        0.0000004797
 Unscaled step for mode   99=        0.0000014769
 Unscaled step for mode  100=       -0.0000007532
 Unscaled step for mode  101=       -0.0000031649
 Unscaled step for mode  102=       -0.0000020896
 Unscaled step for mode  103=       -0.0000006435
 Unscaled step for mode  104=        0.0000015456
 Unscaled step for mode  105=       -0.0000013105
 Unscaled step for mode  106=        0.0000000221
 Unscaled step for mode  107=       -0.0000058907
 Unscaled step for mode  108=        0.0000042837
 Unscaled step for mode  109=        0.0000053249
 Unscaled step for mode  110=        0.0000088303
 Unscaled step for mode  111=       -0.0000683950
 Unscaled step for mode  112=        0.0000007753
 Unscaled step for mode  113=       -0.0010767420
 Unscaled step for mode  114=       -0.0738329062
 Largest modulus ratio of non-zero e/values=           151.3435015    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.111456E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.302492E-15    0.100753E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.513483E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.997466E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.181495E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.416252E-15    0.973621E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.569655E-06    0.723383E+03  0.787488E-09 0.100000E-04    0.977221E+00
   8   -0.170451E-05    0.671661E+03  0.253776E-08 0.100000E-04    0.983652E+00
   9    0.772435E-06    0.624663E+03 -0.123656E-08 0.100000E-04    0.991895E+00
  10    0.152786E-05    0.604175E+03 -0.252884E-08 0.100000E-04    0.996240E+00
  11   -0.104088E-05    0.589541E+03  0.176558E-08 0.100000E-04    0.999777E+00
  12    0.327430E-05    0.565429E+03 -0.579083E-08 0.100000E-04    0.997973E+00
  13    0.487963E-06    0.564065E+03 -0.865083E-09 0.100000E-04    0.905007E+00
  14   -0.564564E-05    0.479248E+03  0.117802E-07 0.100000E-04    0.998180E+00
  15    0.181006E-05    0.468831E+03 -0.386080E-08 0.100000E-04    0.994024E+00
  16    0.229601E-05    0.462678E+03 -0.496243E-08 0.100000E-04    0.993787E+00
  17    0.203497E-05    0.441376E+03 -0.461052E-08 0.100000E-04    0.996778E+00
  18    0.398353E-05    0.431061E+03 -0.924123E-08 0.100000E-04    0.995812E+00
  19    0.908666E-05    0.420862E+03 -0.215906E-07 0.100000E-04    0.995551E+00
  20    0.878517E-05    0.406392E+03 -0.216175E-07 0.100000E-04    0.999949E+00
  21    0.598946E-05    0.398129E+03 -0.150440E-07 0.100000E-04    0.997087E+00
  22    0.111913E-05    0.388636E+03 -0.287963E-08 0.100000E-04    0.977918E+00
  23   -0.156426E-05    0.367089E+03  0.426127E-08 0.100000E-04    0.991875E+00
  24    0.169518E-05    0.363291E+03 -0.466618E-08 0.100000E-04    0.995995E+00
  25   -0.111340E-04    0.352097E+03  0.316220E-07 0.100000E-04    0.994768E+00
  26   -0.177621E-04    0.341022E+03  0.520850E-07 0.100000E-04    0.994316E+00
  27   -0.892997E-05    0.324506E+03  0.275187E-07 0.100000E-04    0.994258E+00
  28   -0.272827E-05    0.321920E+03  0.847499E-08 0.100000E-04    0.974838E+00
  29   -0.378139E-05    0.318403E+03  0.118761E-07 0.100000E-04    0.966224E+00
  30   -0.147475E-04    0.316977E+03  0.465254E-07 0.100000E-04    0.989826E+00
  31   -0.396388E-05    0.305168E+03  0.129892E-07 0.100000E-04    0.986590E+00
  32   -0.137091E-05    0.287520E+03  0.476805E-08 0.100000E-04    0.985893E+00
  33    0.588985E-05    0.279663E+03 -0.210605E-07 0.100000E-04    0.995800E+00
  34    0.309109E-05    0.271132E+03 -0.114007E-07 0.100000E-04    0.994827E+00
  35    0.167521E-04    0.265822E+03 -0.630200E-07 0.100000E-04    0.994742E+00
  36    0.455743E-05    0.262691E+03 -0.173490E-07 0.100000E-04    0.988603E+00
  37   -0.810377E-05    0.257974E+03  0.314131E-07 0.100000E-04    0.993036E+00
  38   -0.356592E-05    0.253510E+03  0.140662E-07 0.100000E-04    0.995200E+00
  39   -0.122526E-04    0.243265E+03  0.503672E-07 0.100000E-04    0.996069E+00
  40    0.812542E-05    0.238663E+03 -0.340456E-07 0.100000E-04    0.990769E+00
  41    0.104802E-04    0.234979E+03 -0.446004E-07 0.100000E-04    0.988609E+00
  42   -0.404362E-05    0.228650E+03  0.176847E-07 0.100000E-04    0.991102E+00
  43    0.363839E-05    0.223471E+03 -0.162813E-07 0.100000E-04    0.987069E+00
  44   -0.660357E-05    0.212722E+03  0.310432E-07 0.100000E-04    0.981896E+00
  45    0.365279E-05    0.211474E+03 -0.172730E-07 0.100000E-04    0.994213E+00
  46    0.907742E-05    0.209081E+03 -0.434158E-07 0.100000E-04    0.990407E+00
  47   -0.188317E-04    0.203087E+03  0.927272E-07 0.100000E-04    0.993543E+00
  48    0.144905E-06    0.198283E+03 -0.730799E-09 0.100000E-04    0.792935E+00
  49   -0.110349E-04    0.195497E+03  0.564455E-07 0.100000E-04    0.991687E+00
  50   -0.696525E-05    0.191612E+03  0.363507E-07 0.100000E-04    0.999687E+00
  51   -0.748265E-05    0.185922E+03  0.402462E-07 0.100000E-04    0.991846E+00
  52    0.952638E-07    0.177225E+03 -0.537531E-09 0.100000E-04    0.887223E+00
  53    0.710068E-05    0.170904E+03 -0.415477E-07 0.100000E-04    0.994737E+00
  54   -0.507464E-05    0.167960E+03  0.302133E-07 0.100000E-04    0.987530E+00
  55   -0.138948E-04    0.165662E+03  0.838745E-07 0.100000E-04    0.995048E+00
  56   -0.473377E-05    0.160326E+03  0.295259E-07 0.100000E-04    0.999039E+00
  57    0.282808E-05    0.153505E+03 -0.184233E-07 0.100000E-04    0.989270E+00
  58   -0.116754E-04    0.150989E+03  0.773262E-07 0.100000E-04    0.994274E+00
  59   -0.658107E-05    0.148979E+03  0.441746E-07 0.100000E-04    0.995761E+00
  60   -0.122638E-04    0.142813E+03  0.858729E-07 0.100000E-04    0.992639E+00
  61   -0.984487E-05    0.136937E+03  0.718933E-07 0.100000E-04    0.994450E+00
  62   -0.249367E-04    0.135031E+03  0.184673E-06 0.100000E-04    0.996799E+00
  63   -0.165058E-04    0.130938E+03  0.126058E-06 0.100000E-04    0.997315E+00
  64    0.574650E-05    0.127660E+03 -0.450142E-07 0.100000E-04    0.986310E+00
  65    0.247279E-06    0.125938E+03 -0.196351E-08 0.100000E-04    0.892802E+00
  66   -0.185623E-04    0.125014E+03  0.148482E-06 0.100000E-04    0.996211E+00
  67    0.160805E-05    0.119467E+03 -0.134602E-07 0.100000E-04    0.982170E+00
  68   -0.542687E-05    0.117949E+03  0.460105E-07 0.100000E-04    0.994781E+00
  69   -0.105166E-05    0.116626E+03  0.901739E-08 0.100000E-04    0.983476E+00
  70    0.111508E-04    0.112156E+03 -0.994220E-07 0.100000E-04    0.990105E+00
  71    0.104446E-05    0.109586E+03 -0.953091E-08 0.100000E-04    0.981407E+00
  72   -0.251134E-04    0.105316E+03  0.238457E-06 0.100000E-04    0.994872E+00
  73   -0.116067E-04    0.102870E+03  0.112829E-06 0.100000E-04    0.990678E+00
  74    0.254126E-04    0.100229E+03 -0.253547E-06 0.100000E-04    0.997532E+00
  75    0.225782E-04    0.970618E+02 -0.232617E-06 0.100000E-04    0.990138E+00
  76   -0.228693E-04    0.950981E+02  0.240481E-06 0.100000E-04    0.994702E+00
  77   -0.438642E-04    0.910642E+02  0.481684E-06 0.100000E-04    0.991805E+00
  78   -0.581754E-05    0.909080E+02  0.639938E-07 0.100000E-04    0.924220E+00
  79    0.315398E-04    0.889201E+02 -0.354699E-06 0.100000E-04    0.997826E+00
  80    0.118110E-04    0.845695E+02 -0.139661E-06 0.100000E-04    0.992350E+00
  81   -0.124908E-04    0.808907E+02  0.154416E-06 0.100000E-04    0.995629E+00
  82    0.148701E-04    0.793237E+02 -0.187460E-06 0.100000E-04    0.996491E+00
  83    0.985079E-05    0.785686E+02 -0.125378E-06 0.100000E-04    0.992177E+00
  84   -0.174599E-04    0.728491E+02  0.239671E-06 0.100000E-04    0.994692E+00
  85   -0.287478E-04    0.715438E+02  0.401822E-06 0.100000E-04    0.996776E+00
  86   -0.341002E-04    0.687965E+02  0.495668E-06 0.100000E-04    0.998027E+00
  87   -0.292391E-05    0.678510E+02  0.430931E-07 0.100000E-04    0.898833E+00
  88   -0.143916E-05    0.634148E+02  0.226943E-07 0.100000E-04    0.985938E+00
  89    0.330255E-04    0.617501E+02 -0.534825E-06 0.100000E-04    0.995518E+00
  90    0.157739E-04    0.596526E+02 -0.264430E-06 0.100000E-04    0.998088E+00
  91   -0.258952E-06    0.587716E+02  0.440608E-08 0.100000E-04    0.955963E+00
  92   -0.395216E-04    0.558589E+02  0.707527E-06 0.100000E-04    0.993654E+00
  93   -0.375459E-04    0.534533E+02  0.702405E-06 0.100000E-04    0.999931E+00
  94    0.237069E-04    0.522392E+02 -0.453814E-06 0.100000E-04    0.995454E+00
  95   -0.341322E-04    0.502849E+02  0.678777E-06 0.100000E-04    0.999499E+00
  96    0.103324E-04    0.479598E+02 -0.215440E-06 0.100000E-04    0.994712E+00
  97   -0.262672E-04    0.433559E+02  0.605852E-06 0.100000E-04    0.997006E+00
  98   -0.191864E-04    0.399936E+02  0.479737E-06 0.100000E-04    0.994546E+00
  99   -0.547650E-04    0.370802E+02  0.147693E-05 0.100000E-04    0.991607E+00
 100    0.272213E-04    0.361423E+02 -0.753172E-06 0.100000E-04    0.990909E+00
 101    0.111540E-03    0.352429E+02 -0.316490E-05 0.100000E-04    0.997818E+00
 102    0.606237E-04    0.290115E+02 -0.208964E-05 0.100000E-04    0.993859E+00
 103    0.185651E-04    0.288524E+02 -0.643452E-06 0.100000E-04    0.967334E+00
 104   -0.443952E-04    0.287243E+02  0.154557E-05 0.100000E-04    0.999843E+00
 105    0.303098E-04    0.231289E+02 -0.131047E-05 0.100000E-04    0.993406E+00
 106   -0.484213E-06    0.219370E+02  0.220729E-07 0.100000E-04    0.634965E+00
 107    0.115956E-03    0.196844E+02 -0.589074E-05 0.100000E-04    0.997874E+00
 108   -0.718256E-04    0.167672E+02  0.428370E-05 0.100000E-04    0.996239E+00
 109   -0.734511E-04    0.137939E+02  0.532491E-05 0.100000E-04    0.998439E+00
 110   -0.109599E-03    0.124117E+02  0.883027E-05 0.100000E-04    0.994827E+00
 111    0.739315E-03    0.108095E+02 -0.100000E-04 0.100000E-04    0.759918E+00
 112   -0.739091E-05    0.953332E+01  0.775271E-06 0.100000E-04    0.988626E+00
 113    0.819020E-02    0.760646E+01 -0.117046E-04 0.117046E-04    0.247281E+00
 114   -0.354837E+00    0.477974E+01 -0.400000E-03 0.400000E-03    0.216290E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7383290619E-01

 Beginning of optimization cycle  166.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3897701083
 potential> RMS force:                                               0.0334211938   |gradient|=.3568407014    
 Eigenvalues of the Hessian matrix:
   723.44325    671.67556    624.68042    604.18321    589.53626    565.45072 
   564.10126    479.26697    468.80826    462.66799    441.37467    431.05146 
   420.86969    406.40316    398.12498    388.63970    367.09209    363.28120 
   352.08905    340.98500    324.51251    321.91167    318.41225    316.95987 
   305.16444    287.52407    279.65767    271.12627    265.82408    262.70023 
   257.98013    253.51259    243.25538    238.65002    234.99077    228.65206 
   223.45177    212.72430    211.47880    209.06823    203.08993    198.27854 
   195.49790    191.61230    185.91325    177.21042    170.90871    167.95699 
   165.66022    160.32064    153.50420    150.98746    148.98339    142.81637 
   136.93765    135.03668    130.93671    127.65962    125.94042    125.01968 
   119.46761    117.94891    116.62945    112.14877    109.57600    105.31266 
   102.87147    100.22447     97.05773     95.09887     91.07241     90.90230 
    88.93107     84.57137     80.89096     79.32726     78.56649     72.84686 
    71.54718     68.78735     67.85243     63.41407     61.74126     59.65250 
    58.77438     55.85988     53.44967     52.23863     50.28420     47.95862 
    43.35156     39.99619     37.07651     36.13868     35.25036     29.00655 
    28.84804     28.72354     23.12495     21.93700     19.68732     16.76849 
    13.79321     12.40970     10.79729      9.53496      7.60616      4.77830 
overlap for current and previous eigenvector    109 is         0.9999984117
overlap for current and previous eigenvector    110 is         0.9999976678
overlap for current and previous eigenvector    111 is         0.9999945570
overlap for current and previous eigenvector    112 is         0.9999983453
overlap for current and previous eigenvector    113 is         0.9999988476
overlap for current and previous eigenvector    114 is         0.9999995081
J1,K1,R1,R2,RAT=   7   7   -0.2766110261E-01     2.027494785        0.9723388974    
FOB,PFOB,DIAG,PSTEP=   -0.5854139939E-06   -0.5696553873E-06     723.4432501        0.7874878409E-09
J1,K1,R1,R2,RAT=   8   8   -0.1674163173E-02     2.001630550        0.9983258368    
FOB,PFOB,DIAG,PSTEP=   -0.1707368276E-05   -0.1704514578E-05     671.6755559        0.2537760580E-08
J1,K1,R1,R2,RAT=   9   9    0.7830976226E-02     1.992113675        0.9921136752    
FOB,PFOB,DIAG,PSTEP=    0.7663857391E-06    0.7724348253E-06     624.6804164       -0.1236562220E-08
J1,K1,R1,R2,RAT=  10  10   -0.7750351057E-02     2.007721909        0.9922496489    
FOB,PFOB,DIAG,PSTEP=    0.1539699939E-05    0.1527858332E-05     604.1832101       -0.2528835682E-08
J1,K1,R1,R2,RAT=  11  11   -0.3761669985E-02     2.003776487        0.9962383300    
FOB,PFOB,DIAG,PSTEP=   -0.1044796442E-05   -0.1040881020E-05     589.5362552        0.1765579809E-08
J1,K1,R1,R2,RAT= 109 109   -0.8274113139E-03     2.000922863        0.9991725887    
FOB,PFOB,DIAG,PSTEP=   -0.7351187734E-04   -0.7345110596E-04     13.79321190        0.5324909177E-05
J1,K1,R1,R2,RAT= 110 110   -0.1199653527E-01     2.012323399        0.9880034647    
FOB,PFOB,DIAG,PSTEP=   -0.1109135853E-03   -0.1095989920E-03     12.40970431        0.8830273484E-05
J1,K1,R1,R2,RAT= 111 111   -0.2393976845         13.93386373        0.7606023155    
FOB,PFOB,DIAG,PSTEP=    0.7651637154E-03    0.7393152651E-03     10.79728501       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6145463176E-01     1.938200757        0.9382007568    
FOB,PFOB,DIAG,PSTEP=   -0.6936622466E-05   -0.7390906158E-05     9.534960763        0.7752711371E-06
J1,K1,R1,R2,RAT= 113 113   -0.9456537335         184.9385549        0.5434626653E-01
FOB,PFOB,DIAG,PSTEP=    0.8274391525E-02    0.8190202456E-02     7.606159581       -0.1170464194E-04
J1,K1,R1,R2,RAT= 114 114    0.9978245172        -372.2978052        0.2175482828E-02
FOB,PFOB,DIAG,PSTEP=   -0.3567438226       -0.3548366600         4.778301623       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000      0.00001     -0.00001 
    -0.00001     -0.00000      0.00000     -0.00001     -0.00001     -0.00001 
    -0.00001      0.00003      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001      0.00000      0.00001      0.00000     -0.00003 
    -0.00001      0.00003     -0.00002      0.00002      0.00004     -0.00001 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001     -0.00002 
    -0.00003      0.00003      0.00000     -0.00000      0.00003      0.00002 
    -0.00000     -0.00004     -0.00004      0.00002     -0.00003      0.00001 
    -0.00003     -0.00002     -0.00006      0.00003      0.00011      0.00006 
     0.00002     -0.00004      0.00003     -0.00000      0.00012     -0.00007 
    -0.00007     -0.00011      0.00077     -0.00001      0.00827     -0.35674 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387656911
 Log product of positive Hessian eigenvalues =          520.3114337656
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7783016228
 Unscaled step for mode    7=        0.0000000008
 Unscaled step for mode    8=        0.0000000025
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000008
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000050
 Unscaled step for mode   17=       -0.0000000047
 Unscaled step for mode   18=       -0.0000000093
 Unscaled step for mode   19=       -0.0000000217
 Unscaled step for mode   20=       -0.0000000217
 Unscaled step for mode   21=       -0.0000000151
 Unscaled step for mode   22=       -0.0000000030
 Unscaled step for mode   23=        0.0000000043
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000318
 Unscaled step for mode   26=        0.0000000524
 Unscaled step for mode   27=        0.0000000276
 Unscaled step for mode   28=        0.0000000082
 Unscaled step for mode   29=        0.0000000114
 Unscaled step for mode   30=        0.0000000469
 Unscaled step for mode   31=        0.0000000131
 Unscaled step for mode   32=        0.0000000049
 Unscaled step for mode   33=       -0.0000000212
 Unscaled step for mode   34=       -0.0000000115
 Unscaled step for mode   35=       -0.0000000632
 Unscaled step for mode   36=       -0.0000000176
 Unscaled step for mode   37=        0.0000000316
 Unscaled step for mode   38=        0.0000000141
 Unscaled step for mode   39=        0.0000000506
 Unscaled step for mode   40=       -0.0000000343
 Unscaled step for mode   41=       -0.0000000451
 Unscaled step for mode   42=        0.0000000178
 Unscaled step for mode   43=       -0.0000000164
 Unscaled step for mode   44=        0.0000000313
 Unscaled step for mode   45=       -0.0000000173
 Unscaled step for mode   46=       -0.0000000437
 Unscaled step for mode   47=        0.0000000931
 Unscaled step for mode   48=       -0.0000000008
 Unscaled step for mode   49=        0.0000000568
 Unscaled step for mode   50=        0.0000000367
 Unscaled step for mode   51=        0.0000000404
 Unscaled step for mode   52=       -0.0000000005
 Unscaled step for mode   53=       -0.0000000417
 Unscaled step for mode   54=        0.0000000304
 Unscaled step for mode   55=        0.0000000842
 Unscaled step for mode   56=        0.0000000297
 Unscaled step for mode   57=       -0.0000000186
 Unscaled step for mode   58=        0.0000000779
 Unscaled step for mode   59=        0.0000000441
 Unscaled step for mode   60=        0.0000000862
 Unscaled step for mode   61=        0.0000000725
 Unscaled step for mode   62=       -0.0000001854
 Unscaled step for mode   63=       -0.0000001268
 Unscaled step for mode   64=        0.0000000455
 Unscaled step for mode   65=        0.0000000019
 Unscaled step for mode   66=       -0.0000001493
 Unscaled step for mode   67=        0.0000000134
 Unscaled step for mode   68=       -0.0000000463
 Unscaled step for mode   69=       -0.0000000093
 Unscaled step for mode   70=       -0.0000001000
 Unscaled step for mode   71=       -0.0000000098
 Unscaled step for mode   72=        0.0000002404
 Unscaled step for mode   73=        0.0000001138
 Unscaled step for mode   74=       -0.0000002547
 Unscaled step for mode   75=        0.0000002345
 Unscaled step for mode   76=       -0.0000002416
 Unscaled step for mode   77=       -0.0000004845
 Unscaled step for mode   78=        0.0000000599
 Unscaled step for mode   79=       -0.0000003546
 Unscaled step for mode   80=        0.0000001405
 Unscaled step for mode   81=        0.0000001553
 Unscaled step for mode   82=       -0.0000001874
 Unscaled step for mode   83=        0.0000001255
 Unscaled step for mode   84=        0.0000002419
 Unscaled step for mode   85=        0.0000004044
 Unscaled step for mode   86=       -0.0000004970
 Unscaled step for mode   87=       -0.0000000465
 Unscaled step for mode   88=        0.0000000234
 Unscaled step for mode   89=       -0.0000005380
 Unscaled step for mode   90=       -0.0000002668
 Unscaled step for mode   91=        0.0000000048
 Unscaled step for mode   92=        0.0000007110
 Unscaled step for mode   93=        0.0000007045
 Unscaled step for mode   94=       -0.0000004577
 Unscaled step for mode   95=        0.0000006800
 Unscaled step for mode   96=       -0.0000002152
 Unscaled step for mode   97=        0.0000006102
 Unscaled step for mode   98=        0.0000004826
 Unscaled step for mode   99=        0.0000014970
 Unscaled step for mode  100=       -0.0000007461
 Unscaled step for mode  101=       -0.0000031730
 Unscaled step for mode  102=       -0.0000021115
 Unscaled step for mode  103=       -0.0000006213
 Unscaled step for mode  104=        0.0000015542
 Unscaled step for mode  105=       -0.0000013196
 Unscaled step for mode  106=        0.0000000353
 Unscaled step for mode  107=       -0.0000059136
 Unscaled step for mode  108=        0.0000042526
 Unscaled step for mode  109=        0.0000053296
 Unscaled step for mode  110=        0.0000089376
 Unscaled step for mode  111=       -0.0000708663
 Unscaled step for mode  112=        0.0000007275
 Unscaled step for mode  113=       -0.0010878528
 Unscaled step for mode  114=       -0.0742475526
 Largest modulus ratio of non-zero e/values=           151.4017547    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.123165E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.756773E-16    0.100752E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.380324E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.954098E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.844299E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.471763E-15    0.973622E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.585414E-06    0.723443E+03  0.809205E-09 0.100000E-04    0.972339E+00
   8   -0.170737E-05    0.671676E+03  0.254195E-08 0.100000E-04    0.998326E+00
   9    0.766386E-06    0.624680E+03 -0.122684E-08 0.100000E-04    0.992114E+00
  10    0.153970E-05    0.604183E+03 -0.254840E-08 0.100000E-04    0.992250E+00
  11   -0.104480E-05    0.589536E+03  0.177223E-08 0.100000E-04    0.996238E+00
  12    0.327361E-05    0.565451E+03 -0.578938E-08 0.100000E-04    0.999711E+00
  13    0.462353E-06    0.564101E+03 -0.819628E-09 0.100000E-04    0.947392E+00
  14   -0.564598E-05    0.479267E+03  0.117805E-07 0.100000E-04    0.999939E+00
  15    0.180105E-05    0.468808E+03 -0.384175E-08 0.100000E-04    0.995018E+00
  16    0.232245E-05    0.462668E+03 -0.501969E-08 0.100000E-04    0.988482E+00
  17    0.206347E-05    0.441375E+03 -0.467511E-08 0.100000E-04    0.985995E+00
  18    0.399199E-05    0.431051E+03 -0.926106E-08 0.100000E-04    0.997876E+00
  19    0.913705E-05    0.420870E+03 -0.217099E-07 0.100000E-04    0.994455E+00
  20    0.880569E-05    0.406403E+03 -0.216674E-07 0.100000E-04    0.997665E+00
  21    0.601691E-05    0.398125E+03 -0.151131E-07 0.100000E-04    0.995418E+00
  22    0.115023E-05    0.388640E+03 -0.295963E-08 0.100000E-04    0.972210E+00
  23   -0.156082E-05    0.367092E+03  0.425186E-08 0.100000E-04    0.997785E+00
  24    0.168659E-05    0.363281E+03 -0.464265E-08 0.100000E-04    0.994931E+00
  25   -0.111889E-04    0.352089E+03  0.317786E-07 0.100000E-04    0.995073E+00
  26   -0.178684E-04    0.340985E+03  0.524022E-07 0.100000E-04    0.994019E+00
  27   -0.897081E-05    0.324513E+03  0.276439E-07 0.100000E-04    0.995428E+00
  28   -0.265138E-05    0.321912E+03  0.823634E-08 0.100000E-04    0.971814E+00
  29   -0.362440E-05    0.318412E+03  0.113827E-07 0.100000E-04    0.958427E+00
  30   -0.148712E-04    0.316960E+03  0.469183E-07 0.100000E-04    0.991610E+00
  31   -0.399206E-05    0.305164E+03  0.130817E-07 0.100000E-04    0.992892E+00
  32   -0.139752E-05    0.287524E+03  0.486054E-08 0.100000E-04    0.980589E+00
  33    0.593138E-05    0.279658E+03 -0.212094E-07 0.100000E-04    0.992949E+00
  34    0.312878E-05    0.271126E+03 -0.115399E-07 0.100000E-04    0.987808E+00
  35    0.168120E-04    0.265824E+03 -0.632447E-07 0.100000E-04    0.996426E+00
  36    0.461438E-05    0.262700E+03 -0.175652E-07 0.100000E-04    0.987504E+00
  37   -0.815613E-05    0.257980E+03  0.316153E-07 0.100000E-04    0.993540E+00
  38   -0.356639E-05    0.253513E+03  0.140679E-07 0.100000E-04    0.999868E+00
  39   -0.123130E-04    0.243255E+03  0.506175E-07 0.100000E-04    0.995070E+00
  40    0.818166E-05    0.238650E+03 -0.342831E-07 0.100000E-04    0.993079E+00
  41    0.105964E-04    0.234991E+03 -0.450929E-07 0.100000E-04    0.988909E+00
  42   -0.407045E-05    0.228652E+03  0.178019E-07 0.100000E-04    0.993364E+00
  43    0.366463E-05    0.223452E+03 -0.164001E-07 0.100000E-04    0.992787E+00
  44   -0.665541E-05    0.212724E+03  0.312865E-07 0.100000E-04    0.992151E+00
  45    0.366105E-05    0.211479E+03 -0.173117E-07 0.100000E-04    0.997739E+00
  46    0.913112E-05    0.209068E+03 -0.436753E-07 0.100000E-04    0.994084E+00
  47   -0.189137E-04    0.203090E+03  0.931297E-07 0.100000E-04    0.995644E+00
  48    0.165407E-06    0.198279E+03 -0.834215E-09 0.100000E-04    0.858510E+00
  49   -0.110955E-04    0.195498E+03  0.567551E-07 0.100000E-04    0.994508E+00
  50   -0.702580E-05    0.191612E+03  0.366668E-07 0.100000E-04    0.991306E+00
  51   -0.751399E-05    0.185913E+03  0.404167E-07 0.100000E-04    0.995811E+00
  52    0.914479E-07    0.177210E+03 -0.516041E-09 0.100000E-04    0.959940E+00
  53    0.712670E-05    0.170909E+03 -0.416989E-07 0.100000E-04    0.996336E+00
  54   -0.511330E-05    0.167957E+03  0.304441E-07 0.100000E-04    0.992382E+00
  55   -0.139475E-04    0.165660E+03  0.841932E-07 0.100000E-04    0.996210E+00
  56   -0.476162E-05    0.160321E+03  0.297006E-07 0.100000E-04    0.994117E+00
  57    0.285141E-05    0.153504E+03 -0.185755E-07 0.100000E-04    0.991750E+00
  58   -0.117569E-04    0.150987E+03  0.778665E-07 0.100000E-04    0.993019E+00
  59   -0.656934E-05    0.148983E+03  0.440944E-07 0.100000E-04    0.998154E+00
  60   -0.123044E-04    0.142816E+03  0.861553E-07 0.100000E-04    0.996687E+00
  61   -0.993365E-05    0.136938E+03  0.725414E-07 0.100000E-04    0.990983E+00
  62    0.250412E-04    0.135037E+03 -0.185440E-06 0.100000E-04    0.995807E+00
  63    0.166060E-04    0.130937E+03 -0.126825E-06 0.100000E-04    0.993928E+00
  64   -0.581228E-05    0.127660E+03  0.455295E-07 0.100000E-04    0.988552E+00
  65   -0.244533E-06    0.125940E+03  0.194166E-08 0.100000E-04    0.988849E+00
  66    0.186688E-04    0.125020E+03 -0.149327E-06 0.100000E-04    0.994259E+00
  67   -0.160205E-05    0.119468E+03  0.134099E-07 0.100000E-04    0.996252E+00
  68    0.546350E-05    0.117949E+03 -0.463209E-07 0.100000E-04    0.993251E+00
  69    0.108827E-05    0.116629E+03 -0.933099E-08 0.100000E-04    0.965195E+00
  70    0.112109E-04    0.112149E+03 -0.999644E-07 0.100000E-04    0.994610E+00
  71    0.106920E-05    0.109576E+03 -0.975761E-08 0.100000E-04    0.976308E+00
  72   -0.253135E-04    0.105313E+03  0.240365E-06 0.100000E-04    0.992032E+00
  73   -0.117034E-04    0.102871E+03  0.113767E-06 0.100000E-04    0.991671E+00
  74    0.255277E-04    0.100224E+03 -0.254706E-06 0.100000E-04    0.995469E+00
  75   -0.227624E-04    0.970577E+02  0.234525E-06 0.100000E-04    0.991841E+00
  76    0.229745E-04    0.950989E+02 -0.241585E-06 0.100000E-04    0.995402E+00
  77    0.441286E-04    0.910724E+02 -0.484544E-06 0.100000E-04    0.993974E+00
  78   -0.544243E-05    0.909023E+02  0.598712E-07 0.100000E-04    0.935516E+00
  79    0.315356E-04    0.889311E+02 -0.354607E-06 0.100000E-04    0.999618E+00
  80   -0.118826E-04    0.845714E+02  0.140504E-06 0.100000E-04    0.993938E+00
  81   -0.125608E-04    0.808910E+02  0.155281E-06 0.100000E-04    0.994395E+00
  82    0.148640E-04    0.793273E+02 -0.187376E-06 0.100000E-04    0.999504E+00
  83   -0.985867E-05    0.785665E+02  0.125482E-06 0.100000E-04    0.999200E+00
  84   -0.176208E-04    0.728469E+02  0.241889E-06 0.100000E-04    0.990779E+00
  85   -0.289358E-04    0.715472E+02  0.404430E-06 0.100000E-04    0.993461E+00
  86    0.341884E-04    0.687874E+02 -0.497016E-06 0.100000E-04    0.997412E+00
  87    0.315499E-05    0.678524E+02 -0.464978E-07 0.100000E-04    0.920970E+00
  88   -0.148243E-05    0.634141E+02  0.233770E-07 0.100000E-04    0.969932E+00
  89    0.332139E-04    0.617413E+02 -0.537953E-06 0.100000E-04    0.994297E+00
  90    0.159166E-04    0.596525E+02 -0.266822E-06 0.100000E-04    0.990954E+00
  91   -0.280946E-06    0.587744E+02  0.478008E-08 0.100000E-04    0.915069E+00
  92   -0.397146E-04    0.558599E+02  0.710968E-06 0.100000E-04    0.995118E+00
  93   -0.376563E-04    0.534497E+02  0.704518E-06 0.100000E-04    0.997060E+00
  94    0.239076E-04    0.522386E+02 -0.457661E-06 0.100000E-04    0.991533E+00
  95   -0.341939E-04    0.502842E+02  0.680013E-06 0.100000E-04    0.998192E+00
  96    0.103222E-04    0.479586E+02 -0.215231E-06 0.100000E-04    0.999006E+00
  97   -0.264547E-04    0.433516E+02  0.610237E-06 0.100000E-04    0.992861E+00
  98   -0.193011E-04    0.399962E+02  0.482572E-06 0.100000E-04    0.994025E+00
  99   -0.555052E-04    0.370765E+02  0.149705E-05 0.100000E-04    0.986482E+00
 100    0.269642E-04    0.361387E+02 -0.746132E-06 0.100000E-04    0.990554E+00
 101    0.111848E-03    0.352504E+02 -0.317297E-05 0.100000E-04    0.997240E+00
 102    0.612462E-04    0.290066E+02 -0.211146E-05 0.100000E-04    0.989729E+00
 103    0.179245E-04    0.288480E+02 -0.621341E-06 0.100000E-04    0.965487E+00
 104   -0.446429E-04    0.287235E+02  0.155423E-05 0.100000E-04    0.994421E+00
 105    0.305160E-04    0.231249E+02 -0.131961E-05 0.100000E-04    0.993195E+00
 106   -0.774411E-06    0.219370E+02  0.353016E-07 0.100000E-04    0.400680E+00
 107    0.116423E-03    0.196873E+02 -0.591363E-05 0.100000E-04    0.995968E+00
 108   -0.713098E-04    0.167685E+02  0.425261E-05 0.100000E-04    0.992664E+00
 109   -0.735119E-04    0.137932E+02  0.532957E-05 0.100000E-04    0.999173E+00
 110   -0.110914E-03    0.124097E+02  0.893765E-05 0.100000E-04    0.988003E+00
 111    0.765164E-03    0.107973E+02 -0.100000E-04 0.100000E-04    0.760602E+00
 112   -0.693662E-05    0.953496E+01  0.727494E-06 0.100000E-04    0.938201E+00
 113    0.827439E-02    0.760616E+01 -0.127581E-04 0.127581E-04    0.543463E-01
 114   -0.356744E+00    0.477830E+01 -0.400000E-03 0.400000E-03    0.217548E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7424755265E-01

 Beginning of optimization cycle  167.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3896271423
 potential> RMS force:                                               0.0335998814   |gradient|=.3587485633    
 Eigenvalues of the Hessian matrix:
   723.50338    671.69007    624.69760    604.19180    589.53173    565.47287 
   564.13730    479.28594    468.78543    462.65795    441.37325    431.04197 
   420.87724    406.41399    398.12102    388.64292    367.09507    363.27117 
   352.08074    340.94766    324.51880    321.90304    318.42195    316.94273 
   305.16055    287.52814    279.65281    271.12086    265.82652    262.70998 
   257.98649    253.51489    243.24571    238.63681    235.00242    228.65378 
   223.43256    212.72679    211.48390    209.05530    203.09308    198.27447 
   195.49910    191.61219    185.90446    177.19614    170.91315    167.95350 
   165.65869    160.31518    153.50307    150.98643    148.98803    142.81974 
   136.93803    135.04204    130.93531    127.65961    125.94322    125.02570 
   119.46868    117.94920    116.63265    112.14136    109.56562    105.30894 
   102.87266    100.22044     97.05355     95.09958     91.08067     90.89664 
    88.94205     84.57327     80.89122     79.33081     78.56436     72.84461 
    71.55054     68.77823     67.85378     63.41335     61.73229     59.65245 
    58.77715     55.86088     53.44598     52.23809     50.28347     47.95745 
    43.34727     39.99872     37.07294     36.13490     35.25775     29.00182 
    28.84362     28.72271     23.12103     21.93699     19.69021     16.76977 
    13.79256     12.40770     10.78505      9.53660      7.60583      4.77683 
overlap for current and previous eigenvector    109 is         0.9999984293
overlap for current and previous eigenvector    110 is         0.9999977186
overlap for current and previous eigenvector    111 is        -0.9999945556
overlap for current and previous eigenvector    112 is         0.9999982776
overlap for current and previous eigenvector    113 is         0.9999988352
overlap for current and previous eigenvector    114 is        -0.9999995109
J1,K1,R1,R2,RAT=   7   7   -0.2212213120E-01     2.021955925        0.9778778688    
FOB,PFOB,DIAG,PSTEP=   -0.5983656754E-06   -0.5854139939E-06     723.5033754        0.8092051364E-09
J1,K1,R1,R2,RAT=   8   8   -0.1600286150E-01     2.015959649        0.9839971385    
FOB,PFOB,DIAG,PSTEP=   -0.1734691645E-05   -0.1707368276E-05     671.6900685        0.2541953866E-08
J1,K1,R1,R2,RAT=   9   9   -0.7784399716E-02     2.007729399        0.9922156003    
FOB,PFOB,DIAG,PSTEP=    0.7723517561E-06    0.7663857391E-06     624.6975957       -0.1226844510E-08
J1,K1,R1,R2,RAT=  10  10    0.3697511119E-02     1.996274049        0.9962740491    
FOB,PFOB,DIAG,PSTEP=    0.1534006800E-05    0.1539699939E-05     604.1918017       -0.2548399083E-08
J1,K1,R1,R2,RAT=  11  11    0.1866977258E-03     1.999828651        0.9998133023    
FOB,PFOB,DIAG,PSTEP=   -0.1044601382E-05   -0.1044796442E-05     589.5317310        0.1772234418E-08
J1,K1,R1,R2,RAT= 109 109   -0.1505809938E-02     2.001600005        0.9984941901    
FOB,PFOB,DIAG,PSTEP=   -0.7362256704E-04   -0.7351187734E-04     13.79256230        0.5329569203E-05
J1,K1,R1,R2,RAT= 110 110   -0.5035618212E-02     2.005358031        0.9949643818    
FOB,PFOB,DIAG,PSTEP=   -0.1114720138E-03   -0.1109135853E-03     12.40770411        0.8937649321E-05
J1,K1,R1,R2,RAT= 111 111     14.43782635       -0.2484841395        0.7515158605    
FOB,PFOB,DIAG,PSTEP=   -0.7919628502E-03    0.7651637154E-03     10.78504844       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.1449833881E-01     2.014154341        0.9855016612    
FOB,PFOB,DIAG,PSTEP=   -0.7037209269E-05   -0.6936622466E-05     9.536601049        0.7274935512E-06
J1,K1,R1,R2,RAT= 113 113   -0.7834012627         171.3268025        0.2165987373    
FOB,PFOB,DIAG,PSTEP=    0.8350409345E-02    0.8274391525E-02     7.605828208       -0.1275805972E-04
J1,K1,R1,R2,RAT= 114 114    -374.4086114        0.9978152322        0.2184767841E-02
FOB,PFOB,DIAG,PSTEP=    0.3586503793       -0.3567438226         4.776827911       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00001      0.00000      0.00000     -0.00001      0.00001      0.00001 
    -0.00001      0.00003      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001      0.00000      0.00001      0.00000     -0.00003 
    -0.00001      0.00003     -0.00002      0.00002      0.00004      0.00001 
     0.00003      0.00001     -0.00001      0.00001      0.00001     -0.00002 
    -0.00003      0.00003      0.00000     -0.00000      0.00003      0.00002 
    -0.00000     -0.00004     -0.00004      0.00002     -0.00003      0.00001 
    -0.00003     -0.00002     -0.00006      0.00003     -0.00011     -0.00006 
    -0.00002      0.00004     -0.00003     -0.00000     -0.00012     -0.00007 
    -0.00007     -0.00011     -0.00079     -0.00001      0.00835      0.35865 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387643577
 Log product of positive Hessian eigenvalues =          520.3091751634
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7768279106
 Unscaled step for mode    7=        0.0000000008
 Unscaled step for mode    8=        0.0000000026
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000007
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000051
 Unscaled step for mode   17=       -0.0000000047
 Unscaled step for mode   18=       -0.0000000093
 Unscaled step for mode   19=       -0.0000000218
 Unscaled step for mode   20=       -0.0000000217
 Unscaled step for mode   21=       -0.0000000152
 Unscaled step for mode   22=       -0.0000000030
 Unscaled step for mode   23=        0.0000000042
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000319
 Unscaled step for mode   26=        0.0000000527
 Unscaled step for mode   27=        0.0000000278
 Unscaled step for mode   28=        0.0000000080
 Unscaled step for mode   29=        0.0000000110
 Unscaled step for mode   30=        0.0000000474
 Unscaled step for mode   31=        0.0000000133
 Unscaled step for mode   32=        0.0000000049
 Unscaled step for mode   33=       -0.0000000213
 Unscaled step for mode   34=       -0.0000000116
 Unscaled step for mode   35=       -0.0000000636
 Unscaled step for mode   36=       -0.0000000178
 Unscaled step for mode   37=        0.0000000318
 Unscaled step for mode   38=        0.0000000141
 Unscaled step for mode   39=        0.0000000508
 Unscaled step for mode   40=       -0.0000000346
 Unscaled step for mode   41=       -0.0000000456
 Unscaled step for mode   42=        0.0000000180
 Unscaled step for mode   43=       -0.0000000166
 Unscaled step for mode   44=        0.0000000318
 Unscaled step for mode   45=       -0.0000000172
 Unscaled step for mode   46=       -0.0000000441
 Unscaled step for mode   47=        0.0000000937
 Unscaled step for mode   48=       -0.0000000010
 Unscaled step for mode   49=        0.0000000572
 Unscaled step for mode   50=        0.0000000367
 Unscaled step for mode   51=        0.0000000407
 Unscaled step for mode   52=       -0.0000000004
 Unscaled step for mode   53=        0.0000000419
 Unscaled step for mode   54=        0.0000000308
 Unscaled step for mode   55=        0.0000000846
 Unscaled step for mode   56=       -0.0000000297
 Unscaled step for mode   57=       -0.0000000188
 Unscaled step for mode   58=        0.0000000783
 Unscaled step for mode   59=       -0.0000000443
 Unscaled step for mode   60=       -0.0000000868
 Unscaled step for mode   61=        0.0000000729
 Unscaled step for mode   62=       -0.0000001860
 Unscaled step for mode   63=       -0.0000001272
 Unscaled step for mode   64=        0.0000000461
 Unscaled step for mode   65=        0.0000000017
 Unscaled step for mode   66=       -0.0000001499
 Unscaled step for mode   67=        0.0000000136
 Unscaled step for mode   68=       -0.0000000466
 Unscaled step for mode   69=       -0.0000000095
 Unscaled step for mode   70=       -0.0000001009
 Unscaled step for mode   71=       -0.0000000099
 Unscaled step for mode   72=        0.0000002416
 Unscaled step for mode   73=        0.0000001148
 Unscaled step for mode   74=       -0.0000002553
 Unscaled step for mode   75=        0.0000002368
 Unscaled step for mode   76=       -0.0000002428
 Unscaled step for mode   77=       -0.0000004881
 Unscaled step for mode   78=       -0.0000000561
 Unscaled step for mode   79=       -0.0000003538
 Unscaled step for mode   80=       -0.0000001416
 Unscaled step for mode   81=        0.0000001560
 Unscaled step for mode   82=       -0.0000001867
 Unscaled step for mode   83=       -0.0000001265
 Unscaled step for mode   84=        0.0000002432
 Unscaled step for mode   85=        0.0000004057
 Unscaled step for mode   86=       -0.0000004980
 Unscaled step for mode   87=       -0.0000000506
 Unscaled step for mode   88=        0.0000000230
 Unscaled step for mode   89=       -0.0000005404
 Unscaled step for mode   90=       -0.0000002673
 Unscaled step for mode   91=        0.0000000050
 Unscaled step for mode   92=        0.0000007154
 Unscaled step for mode   93=        0.0000007046
 Unscaled step for mode   94=       -0.0000004597
 Unscaled step for mode   95=        0.0000006796
 Unscaled step for mode   96=       -0.0000002164
 Unscaled step for mode   97=        0.0000006121
 Unscaled step for mode   98=        0.0000004852
 Unscaled step for mode   99=        0.0000015096
 Unscaled step for mode  100=       -0.0000007389
 Unscaled step for mode  101=        0.0000031789
 Unscaled step for mode  102=        0.0000021231
 Unscaled step for mode  103=        0.0000006032
 Unscaled step for mode  104=       -0.0000015539
 Unscaled step for mode  105=        0.0000013284
 Unscaled step for mode  106=        0.0000000229
 Unscaled step for mode  107=        0.0000059249
 Unscaled step for mode  108=        0.0000042363
 Unscaled step for mode  109=        0.0000053378
 Unscaled step for mode  110=        0.0000089841
 Unscaled step for mode  111=        0.0000734316
 Unscaled step for mode  112=        0.0000007379
 Unscaled step for mode  113=       -0.0010978948
 Unscaled step for mode  114=        0.0746627428
 Largest modulus ratio of non-zero e/values=           151.4610509    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.122949E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.528874E-15    0.100752E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.310299E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.473775E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.151788E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.736173E-15    0.973624E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.598366E-06    0.723503E+03  0.827039E-09 0.100000E-04    0.977878E+00
   8   -0.173469E-05    0.671690E+03  0.258258E-08 0.100000E-04    0.983997E+00
   9    0.772352E-06    0.624698E+03 -0.123636E-08 0.100000E-04    0.992216E+00
  10    0.153401E-05    0.604192E+03 -0.253894E-08 0.100000E-04    0.996274E+00
  11   -0.104460E-05    0.589532E+03  0.177192E-08 0.100000E-04    0.999813E+00
  12    0.327911E-05    0.565473E+03 -0.579888E-08 0.100000E-04    0.998319E+00
  13    0.409876E-06    0.564137E+03 -0.726554E-09 0.100000E-04    0.886380E+00
  14   -0.563561E-05    0.479286E+03  0.117583E-07 0.100000E-04    0.998084E+00
  15    0.181160E-05    0.468785E+03 -0.386445E-08 0.100000E-04    0.994142E+00
  16    0.233687E-05    0.462658E+03 -0.505096E-08 0.100000E-04    0.993792E+00
  17    0.207021E-05    0.441373E+03 -0.469037E-08 0.100000E-04    0.996737E+00
  18    0.400839E-05    0.431042E+03 -0.929931E-08 0.100000E-04    0.995892E+00
  19    0.917732E-05    0.420877E+03 -0.218052E-07 0.100000E-04    0.995593E+00
  20    0.880573E-05    0.406414E+03 -0.216669E-07 0.100000E-04    0.999951E+00
  21    0.603406E-05    0.398121E+03 -0.151563E-07 0.100000E-04    0.997149E+00
  22    0.117475E-05    0.388643E+03 -0.302271E-08 0.100000E-04    0.978679E+00
  23   -0.154786E-05    0.367095E+03  0.421651E-08 0.100000E-04    0.991677E+00
  24    0.167945E-05    0.363271E+03 -0.462314E-08 0.100000E-04    0.995769E+00
  25   -0.112468E-04    0.352081E+03  0.319438E-07 0.100000E-04    0.994825E+00
  26   -0.179688E-04    0.340948E+03  0.527026E-07 0.100000E-04    0.994377E+00
  27   -0.902191E-05    0.324519E+03  0.278009E-07 0.100000E-04    0.994303E+00
  28   -0.257946E-05    0.321903E+03  0.801317E-08 0.100000E-04    0.972877E+00
  29   -0.349804E-05    0.318422E+03  0.109856E-07 0.100000E-04    0.965077E+00
  30   -0.150136E-04    0.316943E+03  0.473702E-07 0.100000E-04    0.990421E+00
  31   -0.404486E-05    0.305161E+03  0.132548E-07 0.100000E-04    0.986774E+00
  32   -0.141689E-05    0.287528E+03  0.492783E-08 0.100000E-04    0.986142E+00
  33    0.595614E-05    0.279653E+03 -0.212984E-07 0.100000E-04    0.995824E+00
  34    0.314520E-05    0.271121E+03 -0.116007E-07 0.100000E-04    0.994749E+00
  35    0.168989E-04    0.265827E+03 -0.635710E-07 0.100000E-04    0.994831E+00
  36    0.466673E-05    0.262710E+03 -0.177638E-07 0.100000E-04    0.988656E+00
  37   -0.821244E-05    0.257986E+03  0.318328E-07 0.100000E-04    0.993095E+00
  38   -0.358292E-05    0.253515E+03  0.141330E-07 0.100000E-04    0.995367E+00
  39   -0.123606E-04    0.243246E+03  0.508152E-07 0.100000E-04    0.996133E+00
  40    0.825476E-05    0.238637E+03 -0.345913E-07 0.100000E-04    0.991065E+00
  41    0.107167E-04    0.235002E+03 -0.456025E-07 0.100000E-04    0.988650E+00
  42   -0.410630E-05    0.228654E+03  0.179586E-07 0.100000E-04    0.991193E+00
  43    0.371152E-05    0.223433E+03 -0.166114E-07 0.100000E-04    0.987202E+00
  44   -0.677312E-05    0.212727E+03  0.318395E-07 0.100000E-04    0.982314E+00
  45    0.363898E-05    0.211484E+03 -0.172069E-07 0.100000E-04    0.993923E+00
  46    0.921734E-05    0.209055E+03 -0.440904E-07 0.100000E-04    0.990557E+00
  47   -0.190339E-04    0.203093E+03  0.937203E-07 0.100000E-04    0.993643E+00
  48    0.190533E-06    0.198274E+03 -0.960956E-09 0.100000E-04    0.848093E+00
  49   -0.111867E-04    0.195499E+03  0.572212E-07 0.100000E-04    0.991781E+00
  50   -0.702785E-05    0.191612E+03  0.366775E-07 0.100000E-04    0.999708E+00
  51   -0.757459E-05    0.185904E+03  0.407445E-07 0.100000E-04    0.991935E+00
  52    0.790851E-07    0.177196E+03 -0.446314E-09 0.100000E-04    0.864800E+00
  53   -0.716371E-05    0.170913E+03  0.419143E-07 0.100000E-04    0.994807E+00
  54   -0.517623E-05    0.167953E+03  0.308195E-07 0.100000E-04    0.987692E+00
  55   -0.140154E-04    0.165659E+03  0.846042E-07 0.100000E-04    0.995128E+00
  56    0.476613E-05    0.160315E+03 -0.297297E-07 0.100000E-04    0.999053E+00
  57    0.288169E-05    0.153503E+03 -0.187729E-07 0.100000E-04    0.989380E+00
  58   -0.118242E-04    0.150986E+03  0.783127E-07 0.100000E-04    0.994277E+00
  59    0.659533E-05    0.148988E+03 -0.442675E-07 0.100000E-04    0.996043E+00
  60    0.123935E-04    0.142820E+03 -0.867771E-07 0.100000E-04    0.992760E+00
  61   -0.998873E-05    0.136938E+03  0.729434E-07 0.100000E-04    0.994455E+00
  62    0.251198E-04    0.135042E+03 -0.186015E-06 0.100000E-04    0.996862E+00
  63    0.166500E-04    0.130935E+03 -0.127162E-06 0.100000E-04    0.997353E+00
  64   -0.589121E-05    0.127660E+03  0.461478E-07 0.100000E-04    0.986420E+00
  65   -0.215692E-06    0.125943E+03  0.171261E-08 0.100000E-04    0.882013E+00
  66    0.187385E-04    0.125026E+03 -0.149877E-06 0.100000E-04    0.996267E+00
  67   -0.163035E-05    0.119469E+03  0.136466E-07 0.100000E-04    0.982336E+00
  68    0.549166E-05    0.117949E+03 -0.465595E-07 0.100000E-04    0.994846E+00
  69    0.110556E-05    0.116633E+03 -0.947895E-08 0.100000E-04    0.984116E+00
  70    0.113202E-04    0.112141E+03 -0.100946E-06 0.100000E-04    0.990247E+00
  71    0.108875E-05    0.109566E+03 -0.993696E-08 0.100000E-04    0.981714E+00
  72   -0.254428E-04    0.105309E+03  0.241601E-06 0.100000E-04    0.994892E+00
  73   -0.118108E-04    0.102873E+03  0.114810E-06 0.100000E-04    0.990818E+00
  74    0.255890E-04    0.100220E+03 -0.255327E-06 0.100000E-04    0.997602E+00
  75   -0.229847E-04    0.970535E+02  0.236825E-06 0.100000E-04    0.990233E+00
  76    0.230939E-04    0.950996E+02 -0.242839E-06 0.100000E-04    0.994803E+00
  77    0.444572E-04    0.910807E+02 -0.488108E-06 0.100000E-04    0.992553E+00
  78    0.509732E-05    0.908966E+02 -0.560782E-07 0.100000E-04    0.936585E+00
  79    0.314691E-04    0.889420E+02 -0.353816E-06 0.100000E-04    0.997647E+00
  80    0.119722E-04    0.845733E+02 -0.141560E-06 0.100000E-04    0.992466E+00
  81   -0.126150E-04    0.808912E+02  0.155951E-06 0.100000E-04    0.995683E+00
  82    0.148107E-04    0.793308E+02 -0.186696E-06 0.100000E-04    0.996324E+00
  83    0.993530E-05    0.785644E+02 -0.126461E-06 0.100000E-04    0.992227E+00
  84   -0.177137E-04    0.728446E+02  0.243171E-06 0.100000E-04    0.994729E+00
  85   -0.290281E-04    0.715505E+02  0.405700E-06 0.100000E-04    0.996812E+00
  86    0.342491E-04    0.687782E+02 -0.497964E-06 0.100000E-04    0.998226E+00
  87    0.343387E-05    0.678538E+02 -0.506068E-07 0.100000E-04    0.911610E+00
  88   -0.146101E-05    0.634133E+02  0.230395E-07 0.100000E-04    0.985551E+00
  89    0.333614E-04    0.617323E+02 -0.540420E-06 0.100000E-04    0.995558E+00
  90    0.159471E-04    0.596524E+02 -0.267333E-06 0.100000E-04    0.998086E+00
  91   -0.291284E-06    0.587771E+02  0.495573E-08 0.100000E-04    0.963207E+00
  92   -0.399617E-04    0.558609E+02  0.715379E-06 0.100000E-04    0.993778E+00
  93   -0.376566E-04    0.534460E+02  0.704573E-06 0.100000E-04    0.999991E+00
  94    0.240153E-04    0.522381E+02 -0.459727E-06 0.100000E-04    0.995497E+00
  95   -0.341741E-04    0.502835E+02  0.679630E-06 0.100000E-04    0.999421E+00
  96    0.103758E-04    0.479575E+02 -0.216354E-06 0.100000E-04    0.994804E+00
  97   -0.265329E-04    0.433473E+02  0.612100E-06 0.100000E-04    0.997047E+00
  98   -0.194058E-04    0.399987E+02  0.485160E-06 0.100000E-04    0.994575E+00
  99   -0.559636E-04    0.370729E+02  0.150955E-05 0.100000E-04    0.991741E+00
 100    0.267016E-04    0.361349E+02 -0.738942E-06 0.100000E-04    0.990260E+00
 101   -0.112081E-03    0.352577E+02  0.317891E-05 0.100000E-04    0.997916E+00
 102   -0.615744E-04    0.290018E+02  0.212312E-05 0.100000E-04    0.994640E+00
 103   -0.173988E-04    0.288436E+02  0.603213E-06 0.100000E-04    0.970671E+00
 104    0.446333E-04    0.287227E+02 -0.155394E-05 0.100000E-04    0.999786E+00
 105   -0.307134E-04    0.231210E+02  0.132838E-05 0.100000E-04    0.993528E+00
 106   -0.501359E-06    0.219370E+02  0.228545E-07 0.100000E-04    0.647407E+00
 107   -0.116662E-03    0.196902E+02  0.592487E-05 0.100000E-04    0.997953E+00
 108   -0.710416E-04    0.167698E+02  0.423629E-05 0.100000E-04    0.996086E+00
 109   -0.736226E-04    0.137926E+02  0.533785E-05 0.100000E-04    0.998494E+00
 110   -0.111472E-03    0.124077E+02  0.898410E-05 0.100000E-04    0.994964E+00
 111   -0.791963E-03    0.107850E+02  0.100000E-04 0.100000E-04    0.751516E+00
 112   -0.703721E-05    0.953660E+01  0.737916E-06 0.100000E-04    0.985502E+00
 113    0.835041E-02    0.760583E+01 -0.114937E-04 0.114937E-04    0.216599E+00
 114    0.358650E+00    0.477683E+01  0.400000E-03 0.400000E-03    0.218477E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7466274281E-01

 Beginning of optimization cycle  168.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3894834046
 potential> RMS force:                                               0.0337785323   |gradient|=.3606560329    
 Eigenvalues of the Hessian matrix:
   723.56356    671.70464    624.71476    604.20015    589.52725    565.49507 
   564.17320    479.30499    468.76261    462.64790    441.37182    431.03241 
   420.88473    406.42480    398.11704    388.64612    367.09803    363.26116 
   352.07236    340.91032    324.52506    321.89460    318.43200    316.92504 
   305.15659    287.53223    279.64793    271.11543    265.82899    262.71969 
   257.99277    253.51718    243.23606    238.62354    235.01401    228.65545 
   223.41333    212.72933    211.48895    209.04237    203.09621    198.27039 
   195.50025    191.61210    185.89563    177.18189    170.91765    167.94996 
   165.65714    160.30970    153.50198    150.98539    148.99267    142.82313 
   136.93841    135.04737    130.93394    127.65961    125.94602    125.03170 
   119.46978    117.94952    116.63586    112.13396    109.55526    105.30527 
   102.87386    100.21642     97.04933     95.10031     91.08898     90.89095 
    88.95299     84.57515     80.89147     79.33434     78.56224     72.84239 
    71.55395     68.76915     67.85512     63.41264     61.72334     59.65240 
    58.77993     55.86192     53.44228     52.23757     50.28273     47.95631 
    43.34300     40.00125     37.06949     36.13110     35.26517     28.99727 
    28.83912     28.72177     23.11712     21.93695     19.69317     16.77104 
    13.79193     12.40572     10.77281      9.53823      7.60549      4.77533 
overlap for current and previous eigenvector    109 is         0.9999984508
overlap for current and previous eigenvector    110 is         0.9999977615
overlap for current and previous eigenvector    111 is         0.9999945575
overlap for current and previous eigenvector    112 is         0.9999982148
overlap for current and previous eigenvector    113 is         0.9999988223
overlap for current and previous eigenvector    114 is         0.9999995136
J1,K1,R1,R2,RAT=   7   7   -0.2664386580E-01     2.026477505        0.9733561342    
FOB,PFOB,DIAG,PSTEP=   -0.6143097764E-06   -0.5983656754E-06     723.5635617        0.8270392313E-09
J1,K1,R1,R2,RAT=   8   8   -0.1786361795E-02     2.001742970        0.9982136382    
FOB,PFOB,DIAG,PSTEP=   -0.1737790499E-05   -0.1734691645E-05     671.7046418        0.2582577480E-08
J1,K1,R1,R2,RAT=   9   9    0.7712577804E-02     1.992232484        0.9922324837    
FOB,PFOB,DIAG,PSTEP=    0.7663947695E-06    0.7723517561E-06     624.7147562       -0.1236361019E-08
J1,K1,R1,R2,RAT=  10  10   -0.7671233095E-02     2.007643598        0.9923287669    
FOB,PFOB,DIAG,PSTEP=    0.1545774687E-05    0.1534006800E-05     604.2001502       -0.2538940112E-08
J1,K1,R1,R2,RAT=  11  11   -0.3744197730E-02     2.003759386        0.9962558023    
FOB,PFOB,DIAG,PSTEP=   -0.1048512547E-05   -0.1044601382E-05     589.5272542        0.1771917146E-08
J1,K1,R1,R2,RAT= 109 109   -0.7741964981E-03     2.000866321        0.9992258035    
FOB,PFOB,DIAG,PSTEP=   -0.7367956275E-04   -0.7362256704E-04     13.79192701        0.5337845532E-05
J1,K1,R1,R2,RAT= 110 110   -0.1172060406E-01     2.012040861        0.9882793959    
FOB,PFOB,DIAG,PSTEP=   -0.1127783240E-03   -0.1114720138E-03     12.40571760        0.8984096717E-05
J1,K1,R1,R2,RAT= 111 111   -0.2476785947         14.95066966        0.7523214053    
FOB,PFOB,DIAG,PSTEP=   -0.8186448015E-03   -0.7919628502E-03     10.77281278        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6238148346E-01     1.937277442        0.9372774425    
FOB,PFOB,DIAG,PSTEP=   -0.6598142839E-05   -0.7037209269E-05     9.538227670        0.7379158710E-06
J1,K1,R1,R2,RAT= 113 113   -0.9793532266         192.0300761        0.2064677336E-01
FOB,PFOB,DIAG,PSTEP=    0.8436020121E-02    0.8350409345E-02     7.605493931       -0.1149374749E-04
J1,K1,R1,R2,RAT= 114 114    0.9978027765        -376.5218913        0.2197223470E-02
FOB,PFOB,DIAG,PSTEP=    0.3605563148        0.3586503793         4.775331200        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00001      0.00000      0.00000     -0.00001      0.00001      0.00001 
     0.00001     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000      0.00001      0.00000     -0.00003 
    -0.00001      0.00003     -0.00002      0.00002      0.00004      0.00000 
     0.00003      0.00001     -0.00001      0.00001      0.00001     -0.00002 
    -0.00003      0.00003      0.00000     -0.00000      0.00003      0.00002 
    -0.00000     -0.00004     -0.00004      0.00002     -0.00003      0.00001 
    -0.00003      0.00002      0.00006      0.00003     -0.00011      0.00006 
    -0.00002      0.00004     -0.00003     -0.00000     -0.00012     -0.00007 
    -0.00007     -0.00011     -0.00082     -0.00001      0.00844      0.36056 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387593129
 Log product of positive Hessian eigenvalues =          520.3069177738
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7753312002
 Unscaled step for mode    7=        0.0000000008
 Unscaled step for mode    8=        0.0000000026
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000007
 Unscaled step for mode   14=        0.0000000118
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000051
 Unscaled step for mode   17=       -0.0000000048
 Unscaled step for mode   18=       -0.0000000093
 Unscaled step for mode   19=       -0.0000000219
 Unscaled step for mode   20=       -0.0000000217
 Unscaled step for mode   21=       -0.0000000152
 Unscaled step for mode   22=       -0.0000000031
 Unscaled step for mode   23=        0.0000000042
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000321
 Unscaled step for mode   26=        0.0000000530
 Unscaled step for mode   27=        0.0000000279
 Unscaled step for mode   28=        0.0000000078
 Unscaled step for mode   29=        0.0000000105
 Unscaled step for mode   30=        0.0000000477
 Unscaled step for mode   31=        0.0000000133
 Unscaled step for mode   32=        0.0000000050
 Unscaled step for mode   33=       -0.0000000214
 Unscaled step for mode   34=       -0.0000000117
 Unscaled step for mode   35=       -0.0000000638
 Unscaled step for mode   36=       -0.0000000180
 Unscaled step for mode   37=        0.0000000320
 Unscaled step for mode   38=        0.0000000141
 Unscaled step for mode   39=        0.0000000511
 Unscaled step for mode   40=       -0.0000000348
 Unscaled step for mode   41=       -0.0000000461
 Unscaled step for mode   42=        0.0000000181
 Unscaled step for mode   43=       -0.0000000167
 Unscaled step for mode   44=        0.0000000321
 Unscaled step for mode   45=       -0.0000000172
 Unscaled step for mode   46=       -0.0000000444
 Unscaled step for mode   47=        0.0000000941
 Unscaled step for mode   48=       -0.0000000011
 Unscaled step for mode   49=        0.0000000575
 Unscaled step for mode   50=        0.0000000370
 Unscaled step for mode   51=        0.0000000409
 Unscaled step for mode   52=       -0.0000000004
 Unscaled step for mode   53=        0.0000000421
 Unscaled step for mode   54=        0.0000000311
 Unscaled step for mode   55=        0.0000000849
 Unscaled step for mode   56=       -0.0000000299
 Unscaled step for mode   57=       -0.0000000189
 Unscaled step for mode   58=        0.0000000789
 Unscaled step for mode   59=       -0.0000000442
 Unscaled step for mode   60=       -0.0000000871
 Unscaled step for mode   61=       -0.0000000736
 Unscaled step for mode   62=        0.0000001868
 Unscaled step for mode   63=        0.0000001279
 Unscaled step for mode   64=       -0.0000000467
 Unscaled step for mode   65=       -0.0000000017
 Unscaled step for mode   66=        0.0000001507
 Unscaled step for mode   67=       -0.0000000136
 Unscaled step for mode   68=        0.0000000469
 Unscaled step for mode   69=       -0.0000000098
 Unscaled step for mode   70=       -0.0000001015
 Unscaled step for mode   71=       -0.0000000102
 Unscaled step for mode   72=        0.0000002435
 Unscaled step for mode   73=        0.0000001158
 Unscaled step for mode   74=       -0.0000002565
 Unscaled step for mode   75=        0.0000002388
 Unscaled step for mode   76=       -0.0000002439
 Unscaled step for mode   77=       -0.0000004908
 Unscaled step for mode   78=       -0.0000000531
 Unscaled step for mode   79=       -0.0000003537
 Unscaled step for mode   80=       -0.0000001424
 Unscaled step for mode   81=        0.0000001568
 Unscaled step for mode   82=       -0.0000001866
 Unscaled step for mode   83=       -0.0000001266
 Unscaled step for mode   84=        0.0000002454
 Unscaled step for mode   85=        0.0000004083
 Unscaled step for mode   86=       -0.0000004992
 Unscaled step for mode   87=       -0.0000000542
 Unscaled step for mode   88=        0.0000000237
 Unscaled step for mode   89=       -0.0000005435
 Unscaled step for mode   90=       -0.0000002697
 Unscaled step for mode   91=        0.0000000053
 Unscaled step for mode   92=        0.0000007188
 Unscaled step for mode   93=        0.0000007066
 Unscaled step for mode   94=       -0.0000004636
 Unscaled step for mode   95=        0.0000006808
 Unscaled step for mode   96=       -0.0000002161
 Unscaled step for mode   97=        0.0000006165
 Unscaled step for mode   98=       -0.0000004880
 Unscaled step for mode   99=       -0.0000015297
 Unscaled step for mode  100=       -0.0000007314
 Unscaled step for mode  101=        0.0000031867
 Unscaled step for mode  102=       -0.0000021431
 Unscaled step for mode  103=        0.0000005854
 Unscaled step for mode  104=       -0.0000015625
 Unscaled step for mode  105=        0.0000013376
 Unscaled step for mode  106=        0.0000000361
 Unscaled step for mode  107=        0.0000059470
 Unscaled step for mode  108=        0.0000042047
 Unscaled step for mode  109=        0.0000053422
 Unscaled step for mode  110=        0.0000090908
 Unscaled step for mode  111=        0.0000759917
 Unscaled step for mode  112=        0.0000006918
 Unscaled step for mode  113=       -0.0011091995
 Unscaled step for mode  114=        0.0750783414
 Largest modulus ratio of non-zero e/values=           151.5211263    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.483337E-15    0.101885E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.667869E-16    0.100752E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.363858E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.105431E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.230013E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.743736E-15    0.973626E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.614310E-06    0.723564E+03  0.849006E-09 0.100000E-04    0.973356E+00
   8   -0.173779E-05    0.671705E+03  0.258713E-08 0.100000E-04    0.998214E+00
   9    0.766395E-06    0.624715E+03 -0.122679E-08 0.100000E-04    0.992232E+00
  10    0.154577E-05    0.604200E+03 -0.255838E-08 0.100000E-04    0.992329E+00
  11   -0.104851E-05    0.589527E+03  0.177857E-08 0.100000E-04    0.996256E+00
  12    0.327786E-05    0.565495E+03 -0.579644E-08 0.100000E-04    0.999540E+00
  13    0.382764E-06    0.564173E+03 -0.678451E-09 0.100000E-04    0.933730E+00
  14   -0.563542E-05    0.479305E+03  0.117575E-07 0.100000E-04    0.999886E+00
  15    0.180271E-05    0.468763E+03 -0.384569E-08 0.100000E-04    0.995097E+00
  16    0.236334E-05    0.462648E+03 -0.510829E-08 0.100000E-04    0.988673E+00
  17    0.209861E-05    0.441372E+03 -0.475474E-08 0.100000E-04    0.986281E+00
  18    0.401687E-05    0.431032E+03 -0.931919E-08 0.100000E-04    0.997885E+00
  19    0.922772E-05    0.420885E+03 -0.219246E-07 0.100000E-04    0.994508E+00
  20    0.882567E-05    0.406425E+03 -0.217154E-07 0.100000E-04    0.997735E+00
  21    0.606120E-05    0.398117E+03 -0.152247E-07 0.100000E-04    0.995501E+00
  22    0.120610E-05    0.388646E+03 -0.310334E-08 0.100000E-04    0.973316E+00
  23   -0.154434E-05    0.367098E+03  0.420688E-08 0.100000E-04    0.997709E+00
  24    0.167058E-05    0.363261E+03 -0.459885E-08 0.100000E-04    0.994718E+00
  25   -0.113017E-04    0.352072E+03  0.321006E-07 0.100000E-04    0.995115E+00
  26   -0.180752E-04    0.340910E+03  0.530204E-07 0.100000E-04    0.994079E+00
  27   -0.906305E-05    0.324525E+03  0.279271E-07 0.100000E-04    0.995440E+00
  28   -0.250126E-05    0.321895E+03  0.777043E-08 0.100000E-04    0.969681E+00
  29   -0.334764E-05    0.318432E+03  0.105129E-07 0.100000E-04    0.956942E+00
  30   -0.151311E-04    0.316925E+03  0.477435E-07 0.100000E-04    0.992176E+00
  31   -0.407366E-05    0.305157E+03  0.133494E-07 0.100000E-04    0.992879E+00
  32   -0.144365E-05    0.287532E+03  0.502083E-08 0.100000E-04    0.981113E+00
  33    0.599780E-05    0.279648E+03 -0.214477E-07 0.100000E-04    0.993006E+00
  34    0.318306E-05    0.271115E+03 -0.117406E-07 0.100000E-04    0.987964E+00
  35    0.169582E-04    0.265829E+03 -0.637938E-07 0.100000E-04    0.996486E+00
  36    0.472434E-05    0.262720E+03 -0.179824E-07 0.100000E-04    0.987656E+00
  37   -0.826523E-05    0.257993E+03  0.320367E-07 0.100000E-04    0.993572E+00
  38   -0.358323E-05    0.253517E+03  0.141341E-07 0.100000E-04    0.999914E+00
  39   -0.124205E-04    0.243236E+03  0.510636E-07 0.100000E-04    0.995151E+00
  40    0.830993E-05    0.238624E+03 -0.348244E-07 0.100000E-04    0.993316E+00
  41    0.108350E-04    0.235014E+03 -0.461036E-07 0.100000E-04    0.988962E+00
  42   -0.413327E-05    0.228655E+03  0.180764E-07 0.100000E-04    0.993432E+00
  43    0.373842E-05    0.223413E+03 -0.167332E-07 0.100000E-04    0.992752E+00
  44   -0.682617E-05    0.212729E+03  0.320885E-07 0.100000E-04    0.992168E+00
  45    0.364680E-05    0.211489E+03 -0.172435E-07 0.100000E-04    0.997849E+00
  46    0.927168E-05    0.209042E+03 -0.443531E-07 0.100000E-04    0.994103E+00
  47   -0.191159E-04    0.203096E+03  0.941222E-07 0.100000E-04    0.995696E+00
  48    0.211297E-06    0.198270E+03 -0.106570E-08 0.100000E-04    0.891018E+00
  49   -0.112476E-04    0.195500E+03  0.575323E-07 0.100000E-04    0.994557E+00
  50   -0.708825E-05    0.191612E+03  0.369927E-07 0.100000E-04    0.991406E+00
  51   -0.760630E-05    0.185896E+03  0.409171E-07 0.100000E-04    0.995813E+00
  52    0.751079E-07    0.177182E+03 -0.423903E-09 0.100000E-04    0.949706E+00
  53   -0.719006E-05    0.170918E+03  0.420674E-07 0.100000E-04    0.996321E+00
  54   -0.521552E-05    0.167950E+03  0.310540E-07 0.100000E-04    0.992411E+00
  55   -0.140678E-04    0.165657E+03  0.849213E-07 0.100000E-04    0.996261E+00
  56    0.479357E-05    0.160310E+03 -0.299019E-07 0.100000E-04    0.994242E+00
  57    0.290575E-05    0.153502E+03 -0.189297E-07 0.100000E-04    0.991652E+00
  58   -0.119061E-04    0.150985E+03  0.788563E-07 0.100000E-04    0.993066E+00
  59    0.658244E-05    0.148993E+03 -0.441796E-07 0.100000E-04    0.997983E+00
  60    0.124346E-04    0.142823E+03 -0.870627E-07 0.100000E-04    0.996684E+00
  61    0.100782E-04    0.136938E+03 -0.735968E-07 0.100000E-04    0.991040E+00
  62   -0.252235E-04    0.135047E+03  0.186775E-06 0.100000E-04    0.995872E+00
  63   -0.167496E-04    0.130934E+03  0.127924E-06 0.100000E-04    0.994014E+00
  64    0.595846E-05    0.127660E+03 -0.466746E-07 0.100000E-04    0.988585E+00
  65    0.213459E-06    0.125946E+03 -0.169484E-08 0.100000E-04    0.989604E+00
  66   -0.188447E-04    0.125032E+03  0.150719E-06 0.100000E-04    0.994335E+00
  67    0.162458E-05    0.119470E+03 -0.135983E-07 0.100000E-04    0.996447E+00
  68   -0.552828E-05    0.117950E+03  0.468699E-07 0.100000E-04    0.993331E+00
  69    0.114234E-05    0.116636E+03 -0.979409E-08 0.100000E-04    0.966726E+00
  70    0.113806E-04    0.112134E+03 -0.101491E-06 0.100000E-04    0.994668E+00
  71    0.111370E-05    0.109555E+03 -0.101656E-07 0.100000E-04    0.977081E+00
  72   -0.256433E-04    0.105305E+03  0.243514E-06 0.100000E-04    0.992117E+00
  73   -0.119080E-04    0.102874E+03  0.115753E-06 0.100000E-04    0.991775E+00
  74    0.257025E-04    0.100216E+03 -0.256470E-06 0.100000E-04    0.995564E+00
  75   -0.231716E-04    0.970493E+02  0.238761E-06 0.100000E-04    0.991869E+00
  76    0.231979E-04    0.951003E+02 -0.243931E-06 0.100000E-04    0.995496E+00
  77    0.447029E-04    0.910890E+02 -0.490761E-06 0.100000E-04    0.994473E+00
  78    0.482700E-05    0.908909E+02 -0.531076E-07 0.100000E-04    0.946965E+00
  79    0.314597E-04    0.889530E+02 -0.353666E-06 0.100000E-04    0.999453E+00
  80    0.120437E-04    0.845752E+02 -0.142403E-06 0.100000E-04    0.994021E+00
  81   -0.126847E-04    0.808915E+02  0.156811E-06 0.100000E-04    0.994480E+00
  82    0.148023E-04    0.793343E+02 -0.186581E-06 0.100000E-04    0.999342E+00
  83    0.994408E-05    0.785622E+02 -0.126576E-06 0.100000E-04    0.999117E+00
  84   -0.178750E-04    0.728424E+02  0.245393E-06 0.100000E-04    0.990895E+00
  85   -0.292157E-04    0.715540E+02  0.408304E-06 0.100000E-04    0.993535E+00
  86    0.343310E-04    0.687692E+02 -0.499221E-06 0.100000E-04    0.997607E+00
  87    0.367668E-05    0.678551E+02 -0.541842E-07 0.100000E-04    0.929291E+00
  88   -0.150243E-05    0.634126E+02  0.236930E-07 0.100000E-04    0.971647E+00
  89    0.335496E-04    0.617233E+02 -0.543548E-06 0.100000E-04    0.994357E+00
  90    0.160895E-04    0.596524E+02 -0.269721E-06 0.100000E-04    0.991066E+00
  91   -0.312817E-06    0.587799E+02  0.532184E-08 0.100000E-04    0.926078E+00
  92   -0.401535E-04    0.558619E+02  0.718799E-06 0.100000E-04    0.995201E+00
  93   -0.377639E-04    0.534423E+02  0.706629E-06 0.100000E-04    0.997151E+00
  94    0.242153E-04    0.522376E+02 -0.463561E-06 0.100000E-04    0.991670E+00
  95   -0.342329E-04    0.502827E+02  0.680808E-06 0.100000E-04    0.998281E+00
  96    0.103650E-04    0.479563E+02 -0.216135E-06 0.100000E-04    0.998963E+00
  97   -0.267203E-04    0.433430E+02  0.616485E-06 0.100000E-04    0.992935E+00
  98    0.195214E-04    0.400013E+02 -0.488020E-06 0.100000E-04    0.994040E+00
  99    0.567048E-04    0.370695E+02 -0.152969E-05 0.100000E-04    0.986755E+00
 100    0.264273E-04    0.361311E+02 -0.731428E-06 0.100000E-04    0.989726E+00
 101   -0.112380E-03    0.352652E+02  0.318671E-05 0.100000E-04    0.997337E+00
 102    0.621452E-04    0.289973E+02 -0.214314E-05 0.100000E-04    0.990729E+00
 103   -0.168830E-04    0.288391E+02  0.585419E-06 0.100000E-04    0.970345E+00
 104    0.448780E-04    0.287218E+02 -0.156251E-05 0.100000E-04    0.994518E+00
 105   -0.309206E-04    0.231171E+02  0.133756E-05 0.100000E-04    0.993254E+00
 106   -0.792691E-06    0.219370E+02  0.361350E-07 0.100000E-04    0.418915E+00
 107   -0.117116E-03    0.196932E+02  0.594705E-05 0.100000E-04    0.996107E+00
 108   -0.705171E-04    0.167710E+02  0.420470E-05 0.100000E-04    0.992467E+00
 109   -0.736796E-04    0.137919E+02  0.534222E-05 0.100000E-04    0.999226E+00
 110   -0.112778E-03    0.124057E+02  0.909083E-05 0.100000E-04    0.988279E+00
 111   -0.818645E-03    0.107728E+02  0.100000E-04 0.100000E-04    0.752321E+00
 112   -0.659814E-05    0.953823E+01  0.691758E-06 0.100000E-04    0.937277E+00
 113    0.843602E-02    0.760549E+01 -0.125282E-04 0.125282E-04    0.206468E-01
 114    0.360556E+00    0.477533E+01  0.400000E-03 0.400000E-03    0.219722E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7507834144E-01

 Beginning of optimization cycle  169.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3893389145
 potential> RMS force:                                               0.0339571075   |gradient|=.3625626935    
 Eigenvalues of the Hessian matrix:
   723.62371    671.71908    624.73181    604.20850    589.52262    565.51746 
   564.20894    479.32407    468.73978    462.63790    441.37043    431.02293 
   420.89225    406.43562    398.11306    388.64930    367.10106    363.25114 
   352.06408    340.87309    324.53137    321.88633    318.44232    316.90689 
   305.15263    287.53637    279.64304    271.11007    265.83153    262.72948 
   257.99921    253.51950    243.22652    238.61032    235.02562    228.65712 
   223.39410    212.73198    211.49402    209.02943    203.09938    198.26634 
   195.50137    191.61200    185.88677    177.16764    170.92215    167.94643 
   165.65558    160.30417    153.50099    150.98437    148.99720    142.82648 
   136.93879    135.05273    130.93254    127.65965    125.94878    125.03768 
   119.47088    117.94983    116.63904    112.12655    109.54484    105.30157 
   102.87507    100.21241     97.04505     95.10101     91.09737     90.88526 
    88.96391     84.57706     80.89173     79.33788     78.56012     72.84017 
    71.55733     68.76007     67.85635     63.41194     61.71432     59.65235 
    58.78268     55.86294     53.43855     52.23706     50.28197     47.95512 
    43.33873     40.00377     37.06614     36.12712     35.27254     28.99291 
    28.83456     28.72072     23.11326     21.93689     19.69613     16.77228 
    13.79130     12.40376     10.76055      9.53985      7.60513      4.77380 
overlap for current and previous eigenvector    109 is         0.9999984679
overlap for current and previous eigenvector    110 is         0.9999978098
overlap for current and previous eigenvector    111 is         0.9999945457
overlap for current and previous eigenvector    112 is         0.9999981395
overlap for current and previous eigenvector    113 is         0.9999988093
overlap for current and previous eigenvector    114 is         0.9999995163
J1,K1,R1,R2,RAT=   7   7   -0.2150732078E-01     2.021341069        0.9784926792    
FOB,PFOB,DIAG,PSTEP=   -0.6275230322E-06   -0.6143097764E-06     723.6237136        0.8490059601E-09
J1,K1,R1,R2,RAT=   8   8   -0.1566887198E-01     2.015625876        0.9843311280    
FOB,PFOB,DIAG,PSTEP=   -0.1765020301E-05   -0.1737790499E-05     671.7190824        0.2587134866E-08
J1,K1,R1,R2,RAT=   9   9   -0.7467750918E-02     2.007413155        0.9925322491    
FOB,PFOB,DIAG,PSTEP=    0.7721181710E-06    0.7663947695E-06     624.7318102       -0.1226791527E-08
J1,K1,R1,R2,RAT=  10  10    0.3663256258E-02     1.996309117        0.9963091171    
FOB,PFOB,DIAG,PSTEP=    0.1540112040E-05    0.1545774687E-05     604.2084963       -0.2558381831E-08
J1,K1,R1,R2,RAT=  11  11    0.1510735250E-03     1.999864636        0.9998489265    
FOB,PFOB,DIAG,PSTEP=   -0.1048354146E-05   -0.1048512547E-05     589.5226237        0.1778565010E-08
J1,K1,R1,R2,RAT= 109 109   -0.1453294179E-02     2.001544172        0.9985467058    
FOB,PFOB,DIAG,PSTEP=   -0.7378663596E-04   -0.7367956275E-04     13.79130035        0.5342223947E-05
J1,K1,R1,R2,RAT= 110 110   -0.4901053693E-02     2.005216956        0.9950989463    
FOB,PFOB,DIAG,PSTEP=   -0.1133309693E-03   -0.1127783240E-03     12.40375842        0.9090834369E-05
J1,K1,R1,R2,RAT= 111 111   -0.2567351108         15.47240137        0.7432648892    
FOB,PFOB,DIAG,PSTEP=   -0.8462709153E-03   -0.8186448015E-03     10.76055149        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.1814692278E-01     2.017806578        0.9818530772    
FOB,PFOB,DIAG,PSTEP=   -0.6717899207E-05   -0.6598142839E-05     9.539851090        0.6917577423E-06
J1,K1,R1,R2,RAT= 113 113   -0.8142402592         177.8956542        0.1857597408    
FOB,PFOB,DIAG,PSTEP=    0.8513599659E-02    0.8436020121E-02     7.605127016       -0.1252818477E-04
J1,K1,R1,R2,RAT= 114 114    0.9977931815        -378.6383592        0.2206818526E-02
FOB,PFOB,DIAG,PSTEP=    0.3624616219        0.3605563148         4.773802753        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00001      0.00000      0.00000     -0.00001      0.00001      0.00001 
    -0.00001     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000      0.00001      0.00000      0.00003 
    -0.00001     -0.00003     -0.00002     -0.00002      0.00005      0.00000 
     0.00003     -0.00001      0.00001     -0.00001     -0.00001      0.00002 
     0.00003      0.00003      0.00000      0.00000      0.00003      0.00002 
    -0.00000     -0.00004     -0.00004      0.00002     -0.00003      0.00001 
    -0.00003     -0.00002     -0.00006     -0.00003     -0.00011      0.00006 
    -0.00002      0.00004     -0.00003     -0.00000     -0.00012     -0.00007 
    -0.00007     -0.00011     -0.00085     -0.00001      0.00851      0.36246 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387558461
 Log product of positive Hessian eigenvalues =          520.3046403335
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7738027533
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000026
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000006
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000051
 Unscaled step for mode   17=       -0.0000000048
 Unscaled step for mode   18=       -0.0000000094
 Unscaled step for mode   19=       -0.0000000220
 Unscaled step for mode   20=       -0.0000000217
 Unscaled step for mode   21=       -0.0000000153
 Unscaled step for mode   22=       -0.0000000032
 Unscaled step for mode   23=        0.0000000042
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000323
 Unscaled step for mode   26=        0.0000000533
 Unscaled step for mode   27=        0.0000000281
 Unscaled step for mode   28=        0.0000000075
 Unscaled step for mode   29=        0.0000000101
 Unscaled step for mode   30=        0.0000000482
 Unscaled step for mode   31=        0.0000000135
 Unscaled step for mode   32=        0.0000000051
 Unscaled step for mode   33=       -0.0000000215
 Unscaled step for mode   34=       -0.0000000118
 Unscaled step for mode   35=       -0.0000000641
 Unscaled step for mode   36=       -0.0000000182
 Unscaled step for mode   37=        0.0000000323
 Unscaled step for mode   38=        0.0000000142
 Unscaled step for mode   39=        0.0000000513
 Unscaled step for mode   40=       -0.0000000351
 Unscaled step for mode   41=       -0.0000000466
 Unscaled step for mode   42=        0.0000000182
 Unscaled step for mode   43=       -0.0000000169
 Unscaled step for mode   44=        0.0000000326
 Unscaled step for mode   45=       -0.0000000171
 Unscaled step for mode   46=       -0.0000000448
 Unscaled step for mode   47=        0.0000000947
 Unscaled step for mode   48=       -0.0000000012
 Unscaled step for mode   49=        0.0000000580
 Unscaled step for mode   50=        0.0000000370
 Unscaled step for mode   51=        0.0000000412
 Unscaled step for mode   52=       -0.0000000004
 Unscaled step for mode   53=        0.0000000423
 Unscaled step for mode   54=        0.0000000314
 Unscaled step for mode   55=        0.0000000853
 Unscaled step for mode   56=       -0.0000000299
 Unscaled step for mode   57=       -0.0000000191
 Unscaled step for mode   58=        0.0000000793
 Unscaled step for mode   59=       -0.0000000443
 Unscaled step for mode   60=       -0.0000000877
 Unscaled step for mode   61=        0.0000000740
 Unscaled step for mode   62=        0.0000001873
 Unscaled step for mode   63=        0.0000001283
 Unscaled step for mode   64=       -0.0000000473
 Unscaled step for mode   65=       -0.0000000015
 Unscaled step for mode   66=        0.0000001513
 Unscaled step for mode   67=       -0.0000000138
 Unscaled step for mode   68=        0.0000000471
 Unscaled step for mode   69=       -0.0000000099
 Unscaled step for mode   70=       -0.0000001025
 Unscaled step for mode   71=       -0.0000000103
 Unscaled step for mode   72=       -0.0000002448
 Unscaled step for mode   73=        0.0000001168
 Unscaled step for mode   74=        0.0000002571
 Unscaled step for mode   75=        0.0000002411
 Unscaled step for mode   76=        0.0000002452
 Unscaled step for mode   77=       -0.0000004941
 Unscaled step for mode   78=       -0.0000000502
 Unscaled step for mode   79=       -0.0000003528
 Unscaled step for mode   80=        0.0000001435
 Unscaled step for mode   81=       -0.0000001575
 Unscaled step for mode   82=        0.0000001859
 Unscaled step for mode   83=        0.0000001276
 Unscaled step for mode   84=       -0.0000002467
 Unscaled step for mode   85=       -0.0000004096
 Unscaled step for mode   86=       -0.0000005001
 Unscaled step for mode   87=       -0.0000000584
 Unscaled step for mode   88=       -0.0000000233
 Unscaled step for mode   89=       -0.0000005460
 Unscaled step for mode   90=       -0.0000002702
 Unscaled step for mode   91=        0.0000000055
 Unscaled step for mode   92=        0.0000007232
 Unscaled step for mode   93=        0.0000007066
 Unscaled step for mode   94=       -0.0000004656
 Unscaled step for mode   95=        0.0000006804
 Unscaled step for mode   96=       -0.0000002172
 Unscaled step for mode   97=        0.0000006183
 Unscaled step for mode   98=        0.0000004906
 Unscaled step for mode   99=        0.0000015422
 Unscaled step for mode  100=        0.0000007239
 Unscaled step for mode  101=        0.0000031924
 Unscaled step for mode  102=       -0.0000021533
 Unscaled step for mode  103=        0.0000005726
 Unscaled step for mode  104=       -0.0000015619
 Unscaled step for mode  105=        0.0000013463
 Unscaled step for mode  106=        0.0000000239
 Unscaled step for mode  107=        0.0000059579
 Unscaled step for mode  108=        0.0000041879
 Unscaled step for mode  109=        0.0000053502
 Unscaled step for mode  110=        0.0000091368
 Unscaled step for mode  111=        0.0000786457
 Unscaled step for mode  112=        0.0000007042
 Unscaled step for mode  113=       -0.0011194539
 Unscaled step for mode  114=        0.0754944895
 Largest modulus ratio of non-zero e/values=           151.5822398    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.445824E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.598696E-15    0.100752E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.242927E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.292301E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.292084E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.575711E-15    0.973627E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.627523E-06    0.723624E+03  0.867195E-09 0.100000E-04    0.978493E+00
   8   -0.176502E-05    0.671719E+03  0.262762E-08 0.100000E-04    0.984331E+00
   9    0.772118E-06    0.624732E+03 -0.123592E-08 0.100000E-04    0.992532E+00
  10    0.154011E-05    0.604208E+03 -0.254897E-08 0.100000E-04    0.996309E+00
  11   -0.104835E-05    0.589523E+03  0.177831E-08 0.100000E-04    0.999849E+00
  12    0.328214E-05    0.565517E+03 -0.580379E-08 0.100000E-04    0.998692E+00
  13    0.328944E-06    0.564209E+03 -0.583017E-09 0.100000E-04    0.859272E+00
  14   -0.562452E-05    0.479324E+03  0.117343E-07 0.100000E-04    0.997987E+00
  15    0.181307E-05    0.468740E+03 -0.386796E-08 0.100000E-04    0.994257E+00
  16    0.237799E-05    0.462638E+03 -0.514007E-08 0.100000E-04    0.993799E+00
  17    0.210553E-05    0.441370E+03 -0.477044E-08 0.100000E-04    0.996702E+00
  18    0.403306E-05    0.431023E+03 -0.935694E-08 0.100000E-04    0.995971E+00
  19    0.926800E-05    0.420892E+03 -0.220199E-07 0.100000E-04    0.995635E+00
  20    0.882531E-05    0.406436E+03 -0.217139E-07 0.100000E-04    0.999905E+00
  21    0.607811E-05    0.398113E+03 -0.152673E-07 0.100000E-04    0.997211E+00
  22    0.123097E-05    0.388649E+03 -0.316730E-08 0.100000E-04    0.979382E+00
  23   -0.153120E-05    0.367101E+03  0.417106E-08 0.100000E-04    0.991477E+00
  24    0.166313E-05    0.363251E+03 -0.457845E-08 0.100000E-04    0.995537E+00
  25   -0.113596E-04    0.352064E+03  0.322656E-07 0.100000E-04    0.994882E+00
  26   -0.181757E-04    0.340873E+03  0.533211E-07 0.100000E-04    0.994438E+00
  27   -0.911427E-05    0.324531E+03  0.280844E-07 0.100000E-04    0.994349E+00
  28   -0.242791E-05    0.321886E+03  0.754275E-08 0.100000E-04    0.970674E+00
  29   -0.322717E-05    0.318442E+03  0.101342E-07 0.100000E-04    0.963950E+00
  30   -0.152680E-04    0.316907E+03  0.481781E-07 0.100000E-04    0.990953E+00
  31   -0.412681E-05    0.305153E+03  0.135238E-07 0.100000E-04    0.986952E+00
  32   -0.146331E-05    0.287536E+03  0.508914E-08 0.100000E-04    0.986380E+00
  33    0.602271E-05    0.279643E+03 -0.215371E-07 0.100000E-04    0.995847E+00
  34    0.320001E-05    0.271110E+03 -0.118033E-07 0.100000E-04    0.994676E+00
  35    0.170444E-04    0.265832E+03 -0.641174E-07 0.100000E-04    0.994918E+00
  36    0.477768E-05    0.262729E+03 -0.181848E-07 0.100000E-04    0.988710E+00
  37   -0.832182E-05    0.257999E+03  0.322552E-07 0.100000E-04    0.993154E+00
  38   -0.359923E-05    0.253519E+03  0.141971E-07 0.100000E-04    0.995533E+00
  39   -0.124678E-04    0.243227E+03  0.512599E-07 0.100000E-04    0.996196E+00
  40    0.838170E-05    0.238610E+03 -0.351271E-07 0.100000E-04    0.991363E+00
  41    0.109575E-04    0.235026E+03 -0.466227E-07 0.100000E-04    0.988690E+00
  42   -0.416931E-05    0.228657E+03  0.182339E-07 0.100000E-04    0.991280E+00
  43    0.378578E-05    0.223394E+03 -0.169466E-07 0.100000E-04    0.987332E+00
  44   -0.694414E-05    0.212732E+03  0.326427E-07 0.100000E-04    0.982718E+00
  45    0.362376E-05    0.211494E+03 -0.171341E-07 0.100000E-04    0.993634E+00
  46    0.935789E-05    0.209029E+03 -0.447683E-07 0.100000E-04    0.990702E+00
  47   -0.192355E-04    0.203099E+03  0.947099E-07 0.100000E-04    0.993741E+00
  48    0.236685E-06    0.198266E+03 -0.119377E-08 0.100000E-04    0.879845E+00
  49   -0.113390E-04    0.195501E+03  0.579995E-07 0.100000E-04    0.991875E+00
  50   -0.709017E-05    0.191612E+03  0.370028E-07 0.100000E-04    0.999729E+00
  51   -0.766698E-05    0.185887E+03  0.412454E-07 0.100000E-04    0.992023E+00
  52    0.624922E-07    0.177168E+03 -0.352729E-09 0.100000E-04    0.832019E+00
  53   -0.722691E-05    0.170922E+03  0.422819E-07 0.100000E-04    0.994875E+00
  54   -0.527889E-05    0.167946E+03  0.314320E-07 0.100000E-04    0.987850E+00
  55   -0.141352E-04    0.165656E+03  0.853291E-07 0.100000E-04    0.995207E+00
  56    0.479805E-05    0.160304E+03 -0.299309E-07 0.100000E-04    0.999066E+00
  57    0.293629E-05    0.153501E+03 -0.191288E-07 0.100000E-04    0.989488E+00
  58   -0.119742E-04    0.150984E+03  0.793078E-07 0.100000E-04    0.994281E+00
  59    0.660661E-05    0.148997E+03 -0.443405E-07 0.100000E-04    0.996328E+00
  60    0.125231E-04    0.142826E+03 -0.876808E-07 0.100000E-04    0.992878E+00
  61   -0.101341E-04    0.136939E+03  0.740043E-07 0.100000E-04    0.994460E+00
  62   -0.253011E-04    0.135053E+03  0.187342E-06 0.100000E-04    0.996924E+00
  63   -0.167933E-04    0.130933E+03  0.128260E-06 0.100000E-04    0.997390E+00
  64    0.603872E-05    0.127660E+03 -0.473033E-07 0.100000E-04    0.986530E+00
  65    0.185520E-06    0.125949E+03 -0.147298E-08 0.100000E-04    0.869074E+00
  66   -0.189140E-04    0.125038E+03  0.151266E-06 0.100000E-04    0.996321E+00
  67    0.165301E-05    0.119471E+03 -0.138361E-07 0.100000E-04    0.982501E+00
  68   -0.555642E-05    0.117950E+03  0.471084E-07 0.100000E-04    0.994910E+00
  69    0.115982E-05    0.116639E+03 -0.994363E-08 0.100000E-04    0.984704E+00
  70    0.114900E-04    0.112127E+03 -0.102473E-06 0.100000E-04    0.990386E+00
  71    0.113373E-05    0.109545E+03 -0.103495E-07 0.100000E-04    0.982014E+00
  72    0.257738E-04    0.105302E+03 -0.244762E-06 0.100000E-04    0.994912E+00
  73   -0.120157E-04    0.102875E+03  0.116799E-06 0.100000E-04    0.990956E+00
  74   -0.257623E-04    0.100212E+03  0.257077E-06 0.100000E-04    0.997671E+00
  75   -0.233958E-04    0.970450E+02  0.241082E-06 0.100000E-04    0.990326E+00
  76   -0.233161E-04    0.951010E+02  0.245172E-06 0.100000E-04    0.994906E+00
  77    0.450151E-04    0.910974E+02 -0.494143E-06 0.100000E-04    0.993016E+00
  78    0.456533E-05    0.908853E+02 -0.502318E-07 0.100000E-04    0.945788E+00
  79    0.313877E-04    0.889639E+02 -0.352814E-06 0.100000E-04    0.997468E+00
  80   -0.121331E-04    0.845771E+02  0.143456E-06 0.100000E-04    0.992581E+00
  81    0.127388E-04    0.808917E+02 -0.157479E-06 0.100000E-04    0.995736E+00
  82   -0.147467E-04    0.793379E+02  0.185872E-06 0.100000E-04    0.996157E+00
  83   -0.100208E-04    0.785601E+02  0.127556E-06 0.100000E-04    0.992281E+00
  84    0.179685E-04    0.728402E+02 -0.246685E-06 0.100000E-04    0.994767E+00
  85    0.293079E-04    0.715573E+02 -0.409572E-06 0.100000E-04    0.996847E+00
  86    0.343847E-04    0.687601E+02 -0.500068E-06 0.100000E-04    0.998435E+00
  87    0.396620E-05    0.678564E+02 -0.584499E-07 0.100000E-04    0.921256E+00
  88    0.148011E-05    0.634119E+02 -0.233412E-07 0.100000E-04    0.985140E+00
  89    0.336973E-04    0.617143E+02 -0.546020E-06 0.100000E-04    0.995598E+00
  90    0.161204E-04    0.596524E+02 -0.270239E-06 0.100000E-04    0.998083E+00
  91   -0.322545E-06    0.587827E+02  0.548707E-08 0.100000E-04    0.968904E+00
  92   -0.403984E-04    0.558629E+02  0.723170E-06 0.100000E-04    0.993901E+00
  93   -0.377620E-04    0.534386E+02  0.706643E-06 0.100000E-04    0.999949E+00
  94    0.243233E-04    0.522371E+02 -0.465633E-06 0.100000E-04    0.995540E+00
  95   -0.342104E-04    0.502820E+02  0.680372E-06 0.100000E-04    0.999344E+00
  96    0.104180E-04    0.479551E+02 -0.217244E-06 0.100000E-04    0.994896E+00
  97   -0.267981E-04    0.433387E+02  0.618342E-06 0.100000E-04    0.997087E+00
  98   -0.196268E-04    0.400038E+02  0.490623E-06 0.100000E-04    0.994603E+00
  99   -0.571651E-04    0.370661E+02  0.154225E-05 0.100000E-04    0.991881E+00
 100   -0.261523E-04    0.361271E+02  0.723896E-06 0.100000E-04    0.989592E+00
 101   -0.112603E-03    0.352725E+02  0.319237E-05 0.100000E-04    0.998014E+00
 102    0.624291E-04    0.289929E+02 -0.215325E-05 0.100000E-04    0.995431E+00
 103   -0.165116E-04    0.288346E+02  0.572631E-06 0.100000E-04    0.977998E+00
 104    0.448602E-04    0.287207E+02 -0.156194E-05 0.100000E-04    0.999602E+00
 105   -0.311170E-04    0.231133E+02  0.134628E-05 0.100000E-04    0.993646E+00
 106   -0.525062E-06    0.219369E+02  0.239351E-07 0.100000E-04    0.662378E+00
 107   -0.117347E-03    0.196961E+02  0.595786E-05 0.100000E-04    0.998031E+00
 108   -0.702406E-04    0.167723E+02  0.418790E-05 0.100000E-04    0.995931E+00
 109   -0.737866E-04    0.137913E+02  0.535023E-05 0.100000E-04    0.998547E+00
 110   -0.113331E-03    0.124038E+02  0.913682E-05 0.100000E-04    0.995099E+00
 111   -0.846271E-03    0.107606E+02  0.100000E-04 0.100000E-04    0.743265E+00
 112   -0.671790E-05    0.953985E+01  0.704193E-06 0.100000E-04    0.981853E+00
 113    0.851360E-02    0.760513E+01 -0.136557E-04 0.136557E-04    0.185760E+00
 114    0.362462E+00    0.477380E+01  0.400000E-03 0.400000E-03    0.220682E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7549448946E-01

 Beginning of optimization cycle  170.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3891936732
 potential> RMS force:                                               0.0341356043   |gradient|=.3644685182    
 Eigenvalues of the Hessian matrix:
   723.68383    671.73339    624.74876    604.21685    589.51784    565.54007 
   564.24450    479.34317    468.71693    462.62796    441.36908    431.01355 
   420.89981    406.44646    398.10909    388.65247    367.10414    363.24111 
   352.05588    340.83599    324.53774    321.87821    318.45291    316.88831 
   305.14866    287.54055    279.63814    271.10477    265.83416    262.73933 
   258.00581    253.52184    243.21710    238.59714    235.03725    228.65880 
   223.37487    212.73476    211.49912    209.01648    203.10258    198.26232 
   195.50247    191.61189    185.87788    177.15339    170.92668    167.94291 
   165.65402    160.29858    153.50008    150.98336    149.00162    142.82979 
   136.93918    135.05813    130.93110    127.65972    125.95150    125.04364 
   119.47199    117.95015    116.64219    112.11913    109.53435    105.29784 
   102.87629    100.20841     97.04069     95.10169     91.10583     90.87958 
    88.97480     84.57899     80.89201     79.34142     78.55800     72.83796 
    71.56069     68.75099     67.85748     63.41126     61.70523     59.65231 
    58.78541     55.86396     53.43478     52.23654     50.28119     47.95390 
    43.33448     40.00627     37.06289     36.12295     35.27987     28.98873 
    28.82994     28.71952     23.10945     21.93681     19.69909     16.77350 
    13.79068     12.40183     10.74827      9.54147      7.60473      4.77224 
overlap for current and previous eigenvector    109 is        -0.9999984850
overlap for current and previous eigenvector    110 is         0.9999978580
overlap for current and previous eigenvector    111 is         0.9999945297
overlap for current and previous eigenvector    112 is         0.9999980599
overlap for current and previous eigenvector    113 is         0.9999987957
overlap for current and previous eigenvector    114 is        -0.9999995187
J1,K1,R1,R2,RAT=   7   7   -0.2044265284E-01     2.020276504        0.9795573472    
FOB,PFOB,DIAG,PSTEP=   -0.6403523334E-06   -0.6275230322E-06     723.6838333        0.8671952292E-09
J1,K1,R1,R2,RAT=   8   8   -0.1598465826E-01     2.015942048        0.9840153417    
FOB,PFOB,DIAG,PSTEP=   -0.1793234148E-05   -0.1765020301E-05     671.7333937        0.2627616733E-08
J1,K1,R1,R2,RAT=   9   9   -0.7273832832E-02     2.007219557        0.9927261672    
FOB,PFOB,DIAG,PSTEP=    0.7777345819E-06    0.7721181710E-06     624.7487646       -0.1235919411E-08
J1,K1,R1,R2,RAT=  10  10    0.3942526767E-02     1.996029833        0.9960298333    
FOB,PFOB,DIAG,PSTEP=    0.1534040023E-05    0.1540112040E-05     604.2168465       -0.2548974483E-08
J1,K1,R1,R2,RAT=  11  11    0.6575505861E-03     1.999358684        0.9993424494    
FOB,PFOB,DIAG,PSTEP=   -0.1047664805E-05   -0.1048354146E-05     589.5178383        0.1778310286E-08
J1,K1,R1,R2,RAT= 109 109     2.001642012       -0.1552301878E-02    0.9984476981    
FOB,PFOB,DIAG,PSTEP=    0.7390116996E-04   -0.7378663596E-04     13.79068177        0.5350230514E-05
J1,K1,R1,R2,RAT= 110 110   -0.4095331891E-02     2.004407125        0.9959046681    
FOB,PFOB,DIAG,PSTEP=   -0.1137950249E-03   -0.1133309693E-03     12.40182502        0.9136824942E-05
J1,K1,R1,R2,RAT= 111 111   -0.2670057894         16.01412053        0.7329942106    
FOB,PFOB,DIAG,PSTEP=   -0.8749694087E-03   -0.8462709153E-03     10.74826633        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.2518562118E-01     2.024846039        0.9748143788    
FOB,PFOB,DIAG,PSTEP=   -0.6887122404E-05   -0.6717899207E-05     9.541471145        0.7041932985E-06
J1,K1,R1,R2,RAT= 113 113   -0.6647334441         164.6273916        0.3352665559    
FOB,PFOB,DIAG,PSTEP=    0.8582630919E-02    0.8513599659E-02     7.604726886       -0.1365572140E-04
J1,K1,R1,R2,RAT= 114 114    -380.7580020        0.9977831476        0.2216852364E-02
FOB,PFOB,DIAG,PSTEP=   -0.3643662875        0.3624616219         4.772243167        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00001     -0.00000      0.00000     -0.00001      0.00001      0.00001 
    -0.00001     -0.00003      0.00002     -0.00001      0.00000     -0.00002 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000     -0.00003 
    -0.00001      0.00003     -0.00002     -0.00002     -0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001     -0.00002 
     0.00003     -0.00003     -0.00000      0.00000      0.00003     -0.00002 
    -0.00000     -0.00004     -0.00004      0.00002      0.00003      0.00001 
     0.00003      0.00002      0.00006     -0.00003     -0.00011     -0.00006 
     0.00002     -0.00004     -0.00003     -0.00000      0.00012      0.00007 
     0.00007     -0.00011     -0.00087     -0.00001      0.00858     -0.36437 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387539979
 Log product of positive Hessian eigenvalues =          520.3023421747
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7722431669
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000027
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000005
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000052
 Unscaled step for mode   17=       -0.0000000048
 Unscaled step for mode   18=       -0.0000000094
 Unscaled step for mode   19=       -0.0000000221
 Unscaled step for mode   20=       -0.0000000217
 Unscaled step for mode   21=       -0.0000000153
 Unscaled step for mode   22=       -0.0000000032
 Unscaled step for mode   23=        0.0000000041
 Unscaled step for mode   24=       -0.0000000046
 Unscaled step for mode   25=        0.0000000324
 Unscaled step for mode   26=        0.0000000536
 Unscaled step for mode   27=        0.0000000282
 Unscaled step for mode   28=        0.0000000073
 Unscaled step for mode   29=        0.0000000098
 Unscaled step for mode   30=        0.0000000486
 Unscaled step for mode   31=        0.0000000137
 Unscaled step for mode   32=        0.0000000052
 Unscaled step for mode   33=       -0.0000000216
 Unscaled step for mode   34=       -0.0000000119
 Unscaled step for mode   35=       -0.0000000645
 Unscaled step for mode   36=       -0.0000000184
 Unscaled step for mode   37=        0.0000000325
 Unscaled step for mode   38=        0.0000000143
 Unscaled step for mode   39=        0.0000000515
 Unscaled step for mode   40=       -0.0000000354
 Unscaled step for mode   41=       -0.0000000472
 Unscaled step for mode   42=        0.0000000184
 Unscaled step for mode   43=       -0.0000000172
 Unscaled step for mode   44=        0.0000000332
 Unscaled step for mode   45=       -0.0000000170
 Unscaled step for mode   46=       -0.0000000452
 Unscaled step for mode   47=        0.0000000953
 Unscaled step for mode   48=       -0.0000000013
 Unscaled step for mode   49=        0.0000000585
 Unscaled step for mode   50=        0.0000000370
 Unscaled step for mode   51=        0.0000000416
 Unscaled step for mode   52=       -0.0000000003
 Unscaled step for mode   53=        0.0000000425
 Unscaled step for mode   54=        0.0000000318
 Unscaled step for mode   55=       -0.0000000857
 Unscaled step for mode   56=        0.0000000300
 Unscaled step for mode   57=       -0.0000000193
 Unscaled step for mode   58=        0.0000000798
 Unscaled step for mode   59=       -0.0000000445
 Unscaled step for mode   60=       -0.0000000883
 Unscaled step for mode   61=        0.0000000744
 Unscaled step for mode   62=        0.0000001879
 Unscaled step for mode   63=       -0.0000001286
 Unscaled step for mode   64=        0.0000000479
 Unscaled step for mode   65=       -0.0000000012
 Unscaled step for mode   66=        0.0000001518
 Unscaled step for mode   67=        0.0000000141
 Unscaled step for mode   68=        0.0000000474
 Unscaled step for mode   69=        0.0000000101
 Unscaled step for mode   70=       -0.0000001035
 Unscaled step for mode   71=        0.0000000105
 Unscaled step for mode   72=        0.0000002460
 Unscaled step for mode   73=        0.0000001179
 Unscaled step for mode   74=       -0.0000002576
 Unscaled step for mode   75=        0.0000002434
 Unscaled step for mode   76=        0.0000002464
 Unscaled step for mode   77=        0.0000004975
 Unscaled step for mode   78=        0.0000000477
 Unscaled step for mode   79=       -0.0000003519
 Unscaled step for mode   80=        0.0000001445
 Unscaled step for mode   81=        0.0000001581
 Unscaled step for mode   82=       -0.0000001851
 Unscaled step for mode   83=        0.0000001286
 Unscaled step for mode   84=        0.0000002479
 Unscaled step for mode   85=       -0.0000004108
 Unscaled step for mode   86=        0.0000005008
 Unscaled step for mode   87=        0.0000000628
 Unscaled step for mode   88=       -0.0000000229
 Unscaled step for mode   89=       -0.0000005483
 Unscaled step for mode   90=        0.0000002706
 Unscaled step for mode   91=        0.0000000057
 Unscaled step for mode   92=        0.0000007276
 Unscaled step for mode   93=        0.0000007066
 Unscaled step for mode   94=       -0.0000004677
 Unscaled step for mode   95=       -0.0000006799
 Unscaled step for mode   96=       -0.0000002184
 Unscaled step for mode   97=       -0.0000006199
 Unscaled step for mode   98=       -0.0000004932
 Unscaled step for mode   99=       -0.0000015543
 Unscaled step for mode  100=        0.0000007167
 Unscaled step for mode  101=        0.0000031976
 Unscaled step for mode  102=        0.0000021621
 Unscaled step for mode  103=       -0.0000005632
 Unscaled step for mode  104=        0.0000015607
 Unscaled step for mode  105=        0.0000013540
 Unscaled step for mode  106=        0.0000000106
 Unscaled step for mode  107=       -0.0000059677
 Unscaled step for mode  108=       -0.0000041726
 Unscaled step for mode  109=       -0.0000053588
 Unscaled step for mode  110=        0.0000091757
 Unscaled step for mode  111=        0.0000814056
 Unscaled step for mode  112=        0.0000007218
 Unscaled step for mode  113=       -0.0011285902
 Unscaled step for mode  114=       -0.0759111829
 Largest modulus ratio of non-zero e/values=           151.6443752    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.118959E-14    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.767615E-16    0.100751E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.176725E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.559015E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.642101E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.687899E-15    0.973629E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.640352E-06    0.723684E+03  0.884851E-09 0.100000E-04    0.979557E+00
   8   -0.179323E-05    0.671733E+03  0.266956E-08 0.100000E-04    0.984015E+00
   9    0.777735E-06    0.624749E+03 -0.124488E-08 0.100000E-04    0.992726E+00
  10    0.153404E-05    0.604217E+03 -0.253889E-08 0.100000E-04    0.996030E+00
  11   -0.104766E-05    0.589518E+03  0.177716E-08 0.100000E-04    0.999342E+00
  12    0.328584E-05    0.565540E+03 -0.581010E-08 0.100000E-04    0.998873E+00
  13    0.273588E-06    0.564245E+03 -0.484875E-09 0.100000E-04    0.831602E+00
  14   -0.561362E-05    0.479343E+03  0.117111E-07 0.100000E-04    0.997982E+00
  15    0.182410E-05    0.468717E+03 -0.389169E-08 0.100000E-04    0.993912E+00
  16    0.239254E-05    0.462628E+03 -0.517162E-08 0.100000E-04    0.993883E+00
  17    0.211162E-05    0.441369E+03 -0.478424E-08 0.100000E-04    0.997109E+00
  18    0.404843E-05    0.431014E+03 -0.939281E-08 0.100000E-04    0.996188E+00
  19    0.930812E-05    0.420900E+03 -0.221148E-07 0.100000E-04    0.995671E+00
  20    0.882322E-05    0.406446E+03 -0.217082E-07 0.100000E-04    0.999710E+00
  21    0.609349E-05    0.398109E+03 -0.153061E-07 0.100000E-04    0.997469E+00
  22    0.125650E-05    0.388652E+03 -0.323295E-08 0.100000E-04    0.979262E+00
  23   -0.151724E-05    0.367104E+03  0.413301E-08 0.100000E-04    0.990867E+00
  24    0.165428E-05    0.363241E+03 -0.455421E-08 0.100000E-04    0.994678E+00
  25   -0.114180E-04    0.352056E+03  0.324325E-07 0.100000E-04    0.994852E+00
  26   -0.182749E-04    0.340836E+03  0.536178E-07 0.100000E-04    0.994545E+00
  27   -0.916547E-05    0.324538E+03  0.282416E-07 0.100000E-04    0.994382E+00
  28   -0.235611E-05    0.321878E+03  0.731987E-08 0.100000E-04    0.970425E+00
  29   -0.311108E-05    0.318453E+03  0.976936E-08 0.100000E-04    0.963963E+00
  30   -0.154034E-04    0.316888E+03  0.486084E-07 0.100000E-04    0.991127E+00
  31   -0.418075E-05    0.305149E+03  0.137007E-07 0.100000E-04    0.986929E+00
  32   -0.148283E-05    0.287541E+03  0.515693E-08 0.100000E-04    0.986665E+00
  33    0.604676E-05    0.279638E+03 -0.216235E-07 0.100000E-04    0.996007E+00
  34    0.321453E-05    0.271105E+03 -0.118571E-07 0.100000E-04    0.995462E+00
  35    0.171331E-04    0.265834E+03 -0.644504E-07 0.100000E-04    0.994797E+00
  36    0.483131E-05    0.262739E+03 -0.183882E-07 0.100000E-04    0.988776E+00
  37   -0.837763E-05    0.258006E+03  0.324707E-07 0.100000E-04    0.993294E+00
  38   -0.361511E-05    0.253522E+03  0.142596E-07 0.100000E-04    0.995588E+00
  39   -0.125140E-04    0.243217E+03  0.514519E-07 0.100000E-04    0.996293E+00
  40    0.845444E-05    0.238597E+03 -0.354339E-07 0.100000E-04    0.991321E+00
  41    0.110822E-04    0.235037E+03 -0.471509E-07 0.100000E-04    0.988622E+00
  42   -0.420838E-05    0.228659E+03  0.184046E-07 0.100000E-04    0.990630E+00
  43    0.383563E-05    0.223375E+03 -0.171713E-07 0.100000E-04    0.986830E+00
  44   -0.706647E-05    0.212735E+03  0.332173E-07 0.100000E-04    0.982384E+00
  45    0.359857E-05    0.211499E+03 -0.170146E-07 0.100000E-04    0.993001E+00
  46    0.944534E-05    0.209016E+03 -0.451894E-07 0.100000E-04    0.990654E+00
  47   -0.193558E-04    0.203103E+03  0.953004E-07 0.100000E-04    0.993749E+00
  48    0.262327E-06    0.198262E+03 -0.132313E-08 0.100000E-04    0.891659E+00
  49   -0.114313E-04    0.195502E+03  0.584714E-07 0.100000E-04    0.991858E+00
  50   -0.708730E-05    0.191612E+03  0.369878E-07 0.100000E-04    0.999595E+00
  51   -0.772916E-05    0.185878E+03  0.415819E-07 0.100000E-04    0.991889E+00
  52    0.487611E-07    0.177153E+03 -0.275248E-09 0.100000E-04    0.780257E+00
  53   -0.726275E-05    0.170927E+03  0.424904E-07 0.100000E-04    0.995042E+00
  54   -0.534330E-05    0.167943E+03  0.318162E-07 0.100000E-04    0.987798E+00
  55    0.142040E-04    0.165654E+03 -0.857449E-07 0.100000E-04    0.995137E+00
  56   -0.480162E-05    0.160299E+03  0.299542E-07 0.100000E-04    0.999255E+00
  57    0.296675E-05    0.153500E+03 -0.193274E-07 0.100000E-04    0.989628E+00
  58   -0.120427E-04    0.150983E+03  0.797614E-07 0.100000E-04    0.994286E+00
  59    0.663028E-05    0.149002E+03 -0.444980E-07 0.100000E-04    0.996418E+00
  60    0.126116E-04    0.142830E+03 -0.882983E-07 0.100000E-04    0.992934E+00
  61   -0.101870E-04    0.136939E+03  0.743908E-07 0.100000E-04    0.994775E+00
  62   -0.253772E-04    0.135058E+03  0.187899E-06 0.100000E-04    0.996991E+00
  63    0.168325E-04    0.130931E+03 -0.128560E-06 0.100000E-04    0.997671E+00
  64   -0.611833E-05    0.127660E+03  0.479268E-07 0.100000E-04    0.986818E+00
  65    0.157127E-06    0.125952E+03 -0.124752E-08 0.100000E-04    0.846913E+00
  66   -0.189822E-04    0.125044E+03  0.151804E-06 0.100000E-04    0.996396E+00
  67   -0.168432E-05    0.119472E+03  0.140980E-07 0.100000E-04    0.981060E+00
  68   -0.558495E-05    0.117950E+03  0.473501E-07 0.100000E-04    0.994866E+00
  69   -0.117635E-05    0.116642E+03  0.100852E-07 0.100000E-04    0.985741E+00
  70    0.116036E-04    0.112119E+03 -0.103494E-06 0.100000E-04    0.990111E+00
  71   -0.115407E-05    0.109534E+03  0.105362E-07 0.100000E-04    0.982054E+00
  72   -0.259002E-04    0.105298E+03  0.245971E-06 0.100000E-04    0.995095E+00
  73   -0.121250E-04    0.102876E+03  0.117860E-06 0.100000E-04    0.990906E+00
  74    0.258179E-04    0.100208E+03 -0.257642E-06 0.100000E-04    0.997844E+00
  75   -0.236207E-04    0.970407E+02  0.243410E-06 0.100000E-04    0.990385E+00
  76   -0.234350E-04    0.951017E+02  0.246421E-06 0.100000E-04    0.994899E+00
  77   -0.453224E-04    0.911058E+02  0.497470E-06 0.100000E-04    0.993175E+00
  78   -0.433431E-05    0.908796E+02  0.476929E-07 0.100000E-04    0.949393E+00
  79    0.313117E-04    0.889748E+02 -0.351916E-06 0.100000E-04    0.997332E+00
  80   -0.122230E-04    0.845790E+02  0.144516E-06 0.100000E-04    0.992590E+00
  81   -0.127928E-04    0.808920E+02  0.158147E-06 0.100000E-04    0.995756E+00
  82    0.146885E-04    0.793414E+02 -0.185130E-06 0.100000E-04    0.995963E+00
  83   -0.100995E-04    0.785580E+02  0.128561E-06 0.100000E-04    0.992147E+00
  84   -0.180583E-04    0.728380E+02  0.247925E-06 0.100000E-04    0.995003E+00
  85    0.293950E-04    0.715607E+02 -0.410771E-06 0.100000E-04    0.997025E+00
  86   -0.344331E-04    0.687510E+02  0.500838E-06 0.100000E-04    0.998592E+00
  87   -0.425872E-05    0.678575E+02  0.627598E-07 0.100000E-04    0.926248E+00
  88    0.145337E-05    0.634113E+02 -0.229197E-07 0.100000E-04    0.981935E+00
  89    0.338354E-04    0.617052E+02 -0.548339E-06 0.100000E-04    0.995901E+00
  90   -0.161406E-04    0.596523E+02  0.270579E-06 0.100000E-04    0.998743E+00
  91   -0.333631E-06    0.587854E+02  0.567541E-08 0.100000E-04    0.965630E+00
  92   -0.406481E-04    0.558640E+02  0.727626E-06 0.100000E-04    0.993820E+00
  93   -0.377554E-04    0.534348E+02  0.706569E-06 0.100000E-04    0.999825E+00
  94    0.244318E-04    0.522365E+02 -0.467714E-06 0.100000E-04    0.995540E+00
  95    0.341850E-04    0.502812E+02 -0.679877E-06 0.100000E-04    0.999258E+00
  96    0.104733E-04    0.479539E+02 -0.218403E-06 0.100000E-04    0.994689E+00
  97    0.268614E-04    0.433345E+02 -0.619862E-06 0.100000E-04    0.997639E+00
  98    0.197326E-04    0.400063E+02 -0.493238E-06 0.100000E-04    0.994608E+00
  99    0.576060E-04    0.370629E+02 -0.155428E-05 0.100000E-04    0.992285E+00
 100   -0.258891E-04    0.361230E+02  0.716694E-06 0.100000E-04    0.989935E+00
 101   -0.112812E-03    0.352799E+02  0.319763E-05 0.100000E-04    0.998147E+00
 102   -0.626763E-04    0.289887E+02  0.216209E-05 0.100000E-04    0.996040E+00
 103    0.162377E-04    0.288299E+02 -0.563224E-06 0.100000E-04    0.983413E+00
 104   -0.448232E-04    0.287195E+02  0.156072E-05 0.100000E-04    0.999176E+00
 105   -0.312893E-04    0.231095E+02  0.135396E-05 0.100000E-04    0.994464E+00
 106   -0.233450E-06    0.219368E+02  0.106419E-07 0.100000E-04    0.444611E+00
 107    0.117558E-03    0.196991E+02 -0.596771E-05 0.100000E-04    0.998197E+00
 108    0.699897E-04    0.167735E+02 -0.417263E-05 0.100000E-04    0.996282E+00
 109    0.739012E-04    0.137907E+02 -0.535878E-05 0.100000E-04    0.998448E+00
 110   -0.113795E-03    0.124018E+02  0.917567E-05 0.100000E-04    0.995905E+00
 111   -0.874969E-03    0.107483E+02  0.100000E-04 0.100000E-04    0.732994E+00
 112   -0.688712E-05    0.954147E+01  0.721809E-06 0.100000E-04    0.974814E+00
 113    0.858263E-02    0.760473E+01 -0.123025E-04 0.123025E-04    0.335267E+00
 114   -0.364366E+00    0.477224E+01 -0.400000E-03 0.400000E-03    0.221685E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7591118291E-01

 Beginning of optimization cycle  171.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3890476599
 potential> RMS force:                                               0.0343140631   |gradient|=.3663739368    
 Eigenvalues of the Hessian matrix:
   723.74402    671.74777    624.76570    604.22494    589.51311    565.56272 
   564.27990    479.36235    468.69409    462.61800    441.36773    431.00408 
   420.90729    406.45727    398.10510    388.65561    367.10720    363.23111 
   352.04761    340.79888    324.54407    321.87029    318.46380    316.86924 
   305.14462    287.54474    279.63322    271.09944    265.83681    262.74913 
   258.01232    253.52418    243.20769    238.58390    235.04881    228.66042 
   223.35561    212.73758    211.50415    209.00354    203.10576    198.25828 
   195.50352    191.61179    185.86895    177.13916    170.93125    167.93933 
   165.65243    160.29299    153.49920    150.98236    149.00605    142.83313 
   136.93956    135.06350    130.92970    127.65979    125.95422    125.04959 
   119.47311    117.95048    116.64536    112.11173    109.52389    105.29416 
   102.87753    100.20442     97.03629     95.10239     91.11432     90.87388 
    88.98565     84.58091     80.89227     79.34495     78.55588     72.83579 
    71.56409     68.74196     67.85860     63.41059     61.69616     59.65227 
    58.78815     55.86501     53.43101     52.23606     50.28041     47.95270 
    43.33023     40.00878     37.05976     36.11876     35.28723     28.98473 
    28.82531     28.71818     23.10565     21.93669     19.70212     16.77470 
    13.79008     12.39990     10.73599      9.54308      7.60432      4.77066 
overlap for current and previous eigenvector    109 is         0.9999985057
overlap for current and previous eigenvector    110 is         0.9999978972
overlap for current and previous eigenvector    111 is         0.9999945158
overlap for current and previous eigenvector    112 is         0.9999979856
overlap for current and previous eigenvector    113 is         0.9999987821
overlap for current and previous eigenvector    114 is         0.9999995214
J1,K1,R1,R2,RAT=   7   7   -0.2548761678E-01     2.025321303        0.9745123832    
FOB,PFOB,DIAG,PSTEP=   -0.6566747456E-06   -0.6403523334E-06     723.7440176        0.8848509583E-09
J1,K1,R1,R2,RAT=   8   8   -0.1286480427E-02     2.001243664        0.9987135196    
FOB,PFOB,DIAG,PSTEP=   -0.1795541158E-05   -0.1793234148E-05     671.7477748        0.2669562307E-08
J1,K1,R1,R2,RAT=   9   9    0.8354565306E-02     1.991591206        0.9915912056    
FOB,PFOB,DIAG,PSTEP=    0.7712367713E-06    0.7777345819E-06     624.7657049       -0.1244875742E-08
J1,K1,R1,R2,RAT=  10  10   -0.8135668166E-02     2.008108863        0.9918643318    
FOB,PFOB,DIAG,PSTEP=    0.1546520631E-05    0.1534040023E-05     604.2249448       -0.2538889856E-08
J1,K1,R1,R2,RAT=  11  11   -0.3878487036E-02     2.003894531        0.9961215130    
FOB,PFOB,DIAG,PSTEP=   -0.1051728127E-05   -0.1047664805E-05     589.5131093        0.1777155392E-08
J1,K1,R1,R2,RAT= 109 109   -0.6633853489E-03     2.000751042        0.9993366147    
FOB,PFOB,DIAG,PSTEP=    0.7395019276E-04    0.7390116996E-04     13.79007737       -0.5358775672E-05
J1,K1,R1,R2,RAT= 110 110   -0.1163167773E-01     2.011941524        0.9883683223    
FOB,PFOB,DIAG,PSTEP=   -0.1151184469E-03   -0.1137950249E-03     12.39990398        0.9175667671E-05
J1,K1,R1,R2,RAT= 111 111   -0.2657077735         16.56545721        0.7342922265    
FOB,PFOB,DIAG,PSTEP=   -0.9034957581E-03   -0.8749694087E-03     10.73598600        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.6243787144E-01     1.937225720        0.9372257197    
FOB,PFOB,DIAG,PSTEP=   -0.6457032797E-05   -0.6887122404E-05     9.543076333        0.7218092786E-06
J1,K1,R1,R2,RAT= 113 113   -0.8474203987         184.3313901        0.1525796013    
FOB,PFOB,DIAG,PSTEP=    0.8661908652E-02    0.8582630919E-02     7.604324409       -0.1230245171E-04
J1,K1,R1,R2,RAT= 114 114    0.9977725489        -382.8801502        0.2227451071E-02
FOB,PFOB,DIAG,PSTEP=   -0.3662703014       -0.3643662875         4.770661188       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00001     -0.00000      0.00000     -0.00001      0.00001      0.00001 
    -0.00001     -0.00003      0.00002     -0.00001      0.00000     -0.00002 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000     -0.00003 
    -0.00001     -0.00003      0.00002     -0.00002      0.00005      0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001     -0.00002 
     0.00003     -0.00003     -0.00000      0.00000      0.00003     -0.00002 
    -0.00000     -0.00004     -0.00004      0.00002      0.00003      0.00001 
     0.00003      0.00002      0.00006     -0.00003     -0.00011     -0.00006 
     0.00002     -0.00005     -0.00003     -0.00000      0.00012      0.00007 
     0.00007     -0.00012     -0.00090     -0.00001      0.00866     -0.36627 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387482388
 Log product of positive Hessian eigenvalues =          520.3000460061
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7706611882
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000027
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000004
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000052
 Unscaled step for mode   17=       -0.0000000049
 Unscaled step for mode   18=       -0.0000000094
 Unscaled step for mode   19=       -0.0000000222
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000154
 Unscaled step for mode   22=       -0.0000000033
 Unscaled step for mode   23=        0.0000000041
 Unscaled step for mode   24=       -0.0000000045
 Unscaled step for mode   25=        0.0000000326
 Unscaled step for mode   26=        0.0000000539
 Unscaled step for mode   27=        0.0000000284
 Unscaled step for mode   28=        0.0000000071
 Unscaled step for mode   29=        0.0000000093
 Unscaled step for mode   30=        0.0000000490
 Unscaled step for mode   31=        0.0000000138
 Unscaled step for mode   32=        0.0000000053
 Unscaled step for mode   33=       -0.0000000218
 Unscaled step for mode   34=       -0.0000000120
 Unscaled step for mode   35=       -0.0000000647
 Unscaled step for mode   36=       -0.0000000186
 Unscaled step for mode   37=        0.0000000327
 Unscaled step for mode   38=        0.0000000143
 Unscaled step for mode   39=        0.0000000517
 Unscaled step for mode   40=       -0.0000000357
 Unscaled step for mode   41=       -0.0000000477
 Unscaled step for mode   42=        0.0000000185
 Unscaled step for mode   43=       -0.0000000173
 Unscaled step for mode   44=        0.0000000335
 Unscaled step for mode   45=       -0.0000000171
 Unscaled step for mode   46=       -0.0000000454
 Unscaled step for mode   47=        0.0000000957
 Unscaled step for mode   48=       -0.0000000014
 Unscaled step for mode   49=        0.0000000588
 Unscaled step for mode   50=        0.0000000373
 Unscaled step for mode   51=        0.0000000418
 Unscaled step for mode   52=       -0.0000000003
 Unscaled step for mode   53=        0.0000000426
 Unscaled step for mode   54=        0.0000000321
 Unscaled step for mode   55=       -0.0000000861
 Unscaled step for mode   56=        0.0000000301
 Unscaled step for mode   57=       -0.0000000195
 Unscaled step for mode   58=        0.0000000803
 Unscaled step for mode   59=       -0.0000000444
 Unscaled step for mode   60=       -0.0000000886
 Unscaled step for mode   61=        0.0000000751
 Unscaled step for mode   62=        0.0000001887
 Unscaled step for mode   63=       -0.0000001293
 Unscaled step for mode   64=        0.0000000485
 Unscaled step for mode   65=       -0.0000000012
 Unscaled step for mode   66=        0.0000001527
 Unscaled step for mode   67=        0.0000000140
 Unscaled step for mode   68=        0.0000000477
 Unscaled step for mode   69=        0.0000000104
 Unscaled step for mode   70=       -0.0000001040
 Unscaled step for mode   71=        0.0000000108
 Unscaled step for mode   72=        0.0000002479
 Unscaled step for mode   73=        0.0000001188
 Unscaled step for mode   74=        0.0000002588
 Unscaled step for mode   75=       -0.0000002454
 Unscaled step for mode   76=        0.0000002475
 Unscaled step for mode   77=       -0.0000004999
 Unscaled step for mode   78=       -0.0000000458
 Unscaled step for mode   79=       -0.0000003517
 Unscaled step for mode   80=        0.0000001453
 Unscaled step for mode   81=        0.0000001590
 Unscaled step for mode   82=       -0.0000001850
 Unscaled step for mode   83=        0.0000001286
 Unscaled step for mode   84=        0.0000002502
 Unscaled step for mode   85=       -0.0000004134
 Unscaled step for mode   86=        0.0000005020
 Unscaled step for mode   87=        0.0000000666
 Unscaled step for mode   88=       -0.0000000236
 Unscaled step for mode   89=       -0.0000005515
 Unscaled step for mode   90=        0.0000002730
 Unscaled step for mode   91=        0.0000000060
 Unscaled step for mode   92=        0.0000007310
 Unscaled step for mode   93=        0.0000007086
 Unscaled step for mode   94=       -0.0000004716
 Unscaled step for mode   95=       -0.0000006810
 Unscaled step for mode   96=       -0.0000002181
 Unscaled step for mode   97=       -0.0000006243
 Unscaled step for mode   98=       -0.0000004962
 Unscaled step for mode   99=       -0.0000015748
 Unscaled step for mode  100=        0.0000007087
 Unscaled step for mode  101=        0.0000032050
 Unscaled step for mode  102=        0.0000021799
 Unscaled step for mode  103=       -0.0000005553
 Unscaled step for mode  104=        0.0000015691
 Unscaled step for mode  105=        0.0000013631
 Unscaled step for mode  106=        0.0000000252
 Unscaled step for mode  107=       -0.0000059894
 Unscaled step for mode  108=       -0.0000041397
 Unscaled step for mode  109=       -0.0000053626
 Unscaled step for mode  110=        0.0000092838
 Unscaled step for mode  111=        0.0000841558
 Unscaled step for mode  112=        0.0000006766
 Unscaled step for mode  113=       -0.0011390752
 Unscaled step for mode  114=       -0.0763282894
 Largest modulus ratio of non-zero e/values=           151.7072768    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.761544E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.563785E-17    0.100751E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.524361E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.458289E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.105081E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.439644E-16    0.973631E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.656675E-06    0.723744E+03  0.907330E-09 0.100000E-04    0.974512E+00
   8   -0.179554E-05    0.671748E+03  0.267294E-08 0.100000E-04    0.998714E+00
   9    0.771237E-06    0.624766E+03 -0.123444E-08 0.100000E-04    0.991591E+00
  10    0.154652E-05    0.604225E+03 -0.255951E-08 0.100000E-04    0.991864E+00
  11   -0.105173E-05    0.589513E+03  0.178406E-08 0.100000E-04    0.996122E+00
  12    0.328310E-05    0.565563E+03 -0.580502E-08 0.100000E-04    0.999086E+00
  13    0.245233E-06    0.564280E+03 -0.434594E-09 0.100000E-04    0.896239E+00
  14   -0.561317E-05    0.479362E+03  0.117097E-07 0.100000E-04    0.999839E+00
  15    0.181440E-05    0.468694E+03 -0.387118E-08 0.100000E-04    0.994681E+00
  16    0.241961E-05    0.462618E+03 -0.523025E-08 0.100000E-04    0.988685E+00
  17    0.214089E-05    0.441368E+03 -0.485057E-08 0.100000E-04    0.986138E+00
  18    0.405636E-05    0.431004E+03 -0.941142E-08 0.100000E-04    0.998041E+00
  19    0.935898E-05    0.420907E+03 -0.222353E-07 0.100000E-04    0.994536E+00
  20    0.884331E-05    0.406457E+03 -0.217571E-07 0.100000E-04    0.997723E+00
  21    0.612058E-05    0.398105E+03 -0.153743E-07 0.100000E-04    0.995555E+00
  22    0.128858E-05    0.388656E+03 -0.331549E-08 0.100000E-04    0.974464E+00
  23   -0.151401E-05    0.367107E+03  0.412417E-08 0.100000E-04    0.997854E+00
  24    0.164478E-05    0.363231E+03 -0.452819E-08 0.100000E-04    0.994260E+00
  25   -0.114730E-04    0.352048E+03  0.325893E-07 0.100000E-04    0.995190E+00
  26   -0.183815E-04    0.340799E+03  0.539366E-07 0.100000E-04    0.994162E+00
  27   -0.920659E-05    0.324544E+03  0.283678E-07 0.100000E-04    0.995514E+00
  28   -0.227595E-05    0.321870E+03  0.707101E-08 0.100000E-04    0.965978E+00
  29   -0.296918E-05    0.318464E+03  0.932343E-08 0.100000E-04    0.954320E+00
  30   -0.155117E-04    0.316869E+03  0.489530E-07 0.100000E-04    0.992972E+00
  31   -0.420925E-05    0.305145E+03  0.137943E-07 0.100000E-04    0.993185E+00
  32   -0.151019E-05    0.287545E+03  0.525202E-08 0.100000E-04    0.981546E+00
  33    0.608938E-05    0.279633E+03 -0.217763E-07 0.100000E-04    0.992951E+00
  34    0.325357E-05    0.271099E+03 -0.120014E-07 0.100000E-04    0.987854E+00
  35    0.171906E-04    0.265837E+03 -0.646659E-07 0.100000E-04    0.996646E+00
  36    0.489025E-05    0.262749E+03 -0.186118E-07 0.100000E-04    0.987801E+00
  37   -0.843073E-05    0.258012E+03  0.326757E-07 0.100000E-04    0.993662E+00
  38   -0.361439E-05    0.253524E+03  0.142566E-07 0.100000E-04    0.999783E+00
  39   -0.125738E-04    0.243208E+03  0.517000E-07 0.100000E-04    0.995216E+00
  40    0.850698E-05    0.238584E+03 -0.356561E-07 0.100000E-04    0.993785E+00
  41    0.112037E-04    0.235049E+03 -0.476653E-07 0.100000E-04    0.989042E+00
  42   -0.423526E-05    0.228660E+03  0.185220E-07 0.100000E-04    0.993614E+00
  43    0.386274E-05    0.223356E+03 -0.172941E-07 0.100000E-04    0.992932E+00
  44   -0.711827E-05    0.212738E+03  0.334603E-07 0.100000E-04    0.992670E+00
  45    0.360698E-05    0.211504E+03 -0.170539E-07 0.100000E-04    0.997665E+00
  46    0.949905E-05    0.209004E+03 -0.454493E-07 0.100000E-04    0.994313E+00
  47   -0.194355E-04    0.203106E+03  0.956916E-07 0.100000E-04    0.995880E+00
  48    0.283240E-06    0.198258E+03 -0.142864E-08 0.100000E-04    0.920280E+00
  49   -0.114911E-04    0.195504E+03  0.587769E-07 0.100000E-04    0.994771E+00
  50   -0.714997E-05    0.191612E+03  0.373149E-07 0.100000E-04    0.991157E+00
  51   -0.776008E-05    0.185869E+03  0.417503E-07 0.100000E-04    0.995998E+00
  52    0.449231E-07    0.177139E+03 -0.253604E-09 0.100000E-04    0.921285E+00
  53   -0.728896E-05    0.170931E+03  0.426426E-07 0.100000E-04    0.996391E+00
  54   -0.538250E-05    0.167939E+03  0.320503E-07 0.100000E-04    0.992663E+00
  55    0.142552E-04    0.165652E+03 -0.860548E-07 0.100000E-04    0.996395E+00
  56   -0.482954E-05    0.160293E+03  0.301294E-07 0.100000E-04    0.994186E+00
  57    0.299146E-05    0.153499E+03 -0.194884E-07 0.100000E-04    0.991671E+00
  58   -0.121261E-04    0.150982E+03  0.803147E-07 0.100000E-04    0.993071E+00
  59    0.661370E-05    0.149006E+03 -0.443854E-07 0.100000E-04    0.997440E+00
  60    0.126509E-04    0.142833E+03 -0.885711E-07 0.100000E-04    0.996886E+00
  61   -0.102792E-04    0.136940E+03  0.750640E-07 0.100000E-04    0.990947E+00
  62   -0.254806E-04    0.135063E+03  0.188657E-06 0.100000E-04    0.995927E+00
  63    0.169336E-04    0.130930E+03 -0.129334E-06 0.100000E-04    0.993988E+00
  64   -0.618712E-05    0.127660E+03  0.484657E-07 0.100000E-04    0.988756E+00
  65    0.157226E-06    0.125954E+03 -0.124828E-08 0.100000E-04    0.999368E+00
  66   -0.190893E-04    0.125050E+03  0.152654E-06 0.100000E-04    0.994356E+00
  67   -0.167757E-05    0.119473E+03  0.140414E-07 0.100000E-04    0.995973E+00
  68   -0.562194E-05    0.117950E+03  0.476636E-07 0.100000E-04    0.993377E+00
  69   -0.121421E-05    0.116645E+03  0.104094E-07 0.100000E-04    0.967819E+00
  70    0.116623E-04    0.112112E+03 -0.104023E-06 0.100000E-04    0.994946E+00
  71   -0.117940E-05    0.109524E+03  0.107684E-07 0.100000E-04    0.978051E+00
  72   -0.261048E-04    0.105294E+03  0.247923E-06 0.100000E-04    0.992100E+00
  73   -0.122223E-04    0.102878E+03  0.118804E-06 0.100000E-04    0.991972E+00
  74   -0.259312E-04    0.100204E+03  0.258783E-06 0.100000E-04    0.995612E+00
  75    0.238096E-04    0.970363E+02 -0.245368E-06 0.100000E-04    0.992004E+00
  76   -0.235368E-04    0.951024E+02  0.247489E-06 0.100000E-04    0.995659E+00
  77    0.455494E-04    0.911143E+02 -0.499915E-06 0.100000E-04    0.994992E+00
  78    0.415971E-05    0.908739E+02 -0.457746E-07 0.100000E-04    0.959714E+00
  79    0.312967E-04    0.889857E+02 -0.351705E-06 0.100000E-04    0.999278E+00
  80   -0.122937E-04    0.845809E+02  0.145348E-06 0.100000E-04    0.994220E+00
  81   -0.128627E-04    0.808923E+02  0.159011E-06 0.100000E-04    0.994535E+00
  82    0.146788E-04    0.793449E+02 -0.185000E-06 0.100000E-04    0.999250E+00
  83   -0.101059E-04    0.785559E+02  0.128645E-06 0.100000E-04    0.999373E+00
  84   -0.182231E-04    0.728358E+02  0.250194E-06 0.100000E-04    0.990876E+00
  85    0.295865E-04    0.715641E+02 -0.413427E-06 0.100000E-04    0.993486E+00
  86   -0.345059E-04    0.687420E+02  0.501963E-06 0.100000E-04    0.997885E+00
  87   -0.451654E-05    0.678586E+02  0.665582E-07 0.100000E-04    0.939461E+00
  88    0.149478E-05    0.634106E+02 -0.235730E-07 0.100000E-04    0.971509E+00
  89    0.340246E-04    0.616962E+02 -0.551486E-06 0.100000E-04    0.994407E+00
  90   -0.162876E-04    0.596523E+02  0.273043E-06 0.100000E-04    0.990893E+00
  91   -0.355082E-06    0.587881E+02  0.604002E-08 0.100000E-04    0.935708E+00
  92   -0.408356E-04    0.558650E+02  0.730969E-06 0.100000E-04    0.995387E+00
  93   -0.378631E-04    0.534310E+02  0.708636E-06 0.100000E-04    0.997145E+00
  94    0.246355E-04    0.522361E+02 -0.471619E-06 0.100000E-04    0.991662E+00
  95    0.342429E-04    0.502804E+02 -0.681038E-06 0.100000E-04    0.998309E+00
  96    0.104586E-04    0.479527E+02 -0.218102E-06 0.100000E-04    0.998595E+00
  97    0.270532E-04    0.433302E+02 -0.624349E-06 0.100000E-04    0.992859E+00
  98    0.198508E-04    0.400088E+02 -0.496161E-06 0.100000E-04    0.994013E+00
  99    0.583605E-04    0.370598E+02 -0.157477E-05 0.100000E-04    0.986903E+00
 100   -0.255960E-04    0.361188E+02  0.708662E-06 0.100000E-04    0.988677E+00
 101   -0.113097E-03    0.352872E+02  0.320504E-05 0.100000E-04    0.997473E+00
 102   -0.631827E-04    0.289847E+02  0.217986E-05 0.100000E-04    0.991918E+00
 103    0.160073E-04    0.288253E+02 -0.555321E-06 0.100000E-04    0.985806E+00
 104   -0.450605E-04    0.287182E+02  0.156906E-05 0.100000E-04    0.994707E+00
 105   -0.314950E-04    0.231056E+02  0.136309E-05 0.100000E-04    0.993423E+00
 106   -0.552411E-06    0.219367E+02  0.251821E-07 0.100000E-04    0.366304E+00
 107    0.118003E-03    0.197021E+02 -0.598938E-05 0.100000E-04    0.996214E+00
 108    0.694431E-04    0.167747E+02 -0.413975E-05 0.100000E-04    0.992047E+00
 109    0.739502E-04    0.137901E+02 -0.536257E-05 0.100000E-04    0.999337E+00
 110   -0.115118E-03    0.123999E+02  0.928382E-05 0.100000E-04    0.988368E+00
 111   -0.903496E-03    0.107360E+02  0.100000E-04 0.100000E-04    0.734292E+00
 112   -0.645703E-05    0.954308E+01  0.676620E-06 0.100000E-04    0.937226E+00
 113    0.866191E-02    0.760432E+01 -0.134097E-04 0.134097E-04    0.152580E+00
 114   -0.366270E+00    0.477066E+01 -0.400000E-03 0.400000E-03    0.222745E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7632828939E-01

 Beginning of optimization cycle  172.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3889008959
 potential> RMS force:                                               0.0344924417   |gradient|=.3682784993    
 Eigenvalues of the Hessian matrix:
   723.80417    671.76202    624.78254    604.23305    589.50822    565.58561 
   564.31511    479.38155    468.67123    462.60810    441.36642    430.99471 
   420.91481    406.46810    398.10112    388.65873    367.11033    363.22111 
   352.03943    340.76190    324.55045    321.86251    318.47492    316.84977 
   305.14058    287.54898    279.62829    271.09418    265.83954    262.75901 
   258.01900    253.52655    243.19839    238.57071    235.06039    228.66204 
   223.33636    212.74052    211.50921    208.99058    203.10897    198.25428 
   195.50455    191.61168    185.85999    177.12494    170.93584    167.93577 
   165.65085    160.28733    153.49842    150.98137    149.01036    142.83643 
   136.93995    135.06890    130.92825    127.65990    125.95689    125.05551 
   119.47424    117.95082    116.64849    112.10433    109.51336    105.29045 
   102.87877    100.20044     97.03183     95.10306     91.12289     90.86820 
    88.99648     84.58286     80.89254     79.34848     78.55377     72.83361 
    71.56747     68.73293     67.85960     63.40994     61.68702     59.65224 
    58.79086     55.86605     53.42721     52.23557     50.27961     47.95147 
    43.32599     40.01127     37.05673     36.11439     35.29454     28.98089 
    28.82068     28.71666     23.10190     21.93654     19.70515     16.77589 
    13.78948     12.39801     10.72368      9.54468      7.60389      4.76905 
overlap for current and previous eigenvector    109 is        -0.9999985219
overlap for current and previous eigenvector    110 is        -0.9999979421
overlap for current and previous eigenvector    111 is         0.9999944858
overlap for current and previous eigenvector    112 is         0.9999978962
overlap for current and previous eigenvector    113 is        -0.9999987681
overlap for current and previous eigenvector    114 is        -0.9999995240
J1,K1,R1,R2,RAT=   7   7   -0.2053064248E-01     2.020364443        0.9794693575    
FOB,PFOB,DIAG,PSTEP=   -0.6701578205E-06   -0.6566747456E-06     723.8041654        0.9073301191E-09
J1,K1,R1,R2,RAT=   8   8   -0.1567892930E-01     2.015636527        0.9843210707    
FOB,PFOB,DIAG,PSTEP=   -0.1823693918E-05   -0.1795541158E-05     671.7620169        0.2672939496E-08
J1,K1,R1,R2,RAT=   9   9   -0.7513734804E-02     2.007459850        0.9924862652    
FOB,PFOB,DIAG,PSTEP=    0.7770317961E-06    0.7712367713E-06     624.7825380       -0.1234441592E-08
J1,K1,R1,R2,RAT=  10  10    0.4171901854E-02     1.995801276        0.9958012759    
FOB,PFOB,DIAG,PSTEP=    0.1540068612E-05    0.1546520631E-05     604.2330483       -0.2559511394E-08
J1,K1,R1,R2,RAT=  11  11    0.3077492956E-03     1.999708831        0.9996922507    
FOB,PFOB,DIAG,PSTEP=   -0.1051404461E-05   -0.1051728127E-05     589.5082221        0.1784062323E-08
J1,K1,R1,R2,RAT= 109 109     2.001500329       -0.1413880285E-02    0.9985861197    
FOB,PFOB,DIAG,PSTEP=   -0.7405474496E-04    0.7395019276E-04     13.78948133       -0.5362565471E-05
J1,K1,R1,R2,RAT= 110 110     2.004655923       -0.4350378431E-02    0.9956496216    
FOB,PFOB,DIAG,PSTEP=    0.1156191792E-03   -0.1151184469E-03     12.39800991        0.9283817604E-05
J1,K1,R1,R2,RAT= 111 111   -0.2753793094         17.12585439        0.7246206906    
FOB,PFOB,DIAG,PSTEP=   -0.9330265620E-03   -0.9034957581E-03     10.72368291        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.2927575093E-01     2.028940166        0.9707242491    
FOB,PFOB,DIAG,PSTEP=   -0.6646099005E-05   -0.6457032797E-05     9.544677858        0.6766196321E-06
J1,K1,R1,R2,RAT= 113 113     170.5919301       -0.6933674353        0.3066325647    
FOB,PFOB,DIAG,PSTEP=   -0.8732608312E-02    0.8661908652E-02     7.603888210       -0.1340967236E-04
J1,K1,R1,R2,RAT= 114 114    -385.0055739        0.9977643625        0.2235637548E-02
FOB,PFOB,DIAG,PSTEP=    0.3681736556       -0.3662703014         4.769047560       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00000 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00001      0.00000     -0.00000      0.00001     -0.00001      0.00001 
     0.00001      0.00003     -0.00002     -0.00001      0.00000      0.00002 
    -0.00000      0.00001      0.00000     -0.00001      0.00000      0.00003 
    -0.00001     -0.00003     -0.00002      0.00002     -0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001      0.00002 
     0.00003     -0.00003      0.00000     -0.00000      0.00003     -0.00002 
     0.00000      0.00004     -0.00004      0.00002     -0.00003     -0.00001 
     0.00003      0.00002      0.00006     -0.00003      0.00011      0.00006 
    -0.00002      0.00004     -0.00003     -0.00000      0.00012      0.00007 
    -0.00007      0.00012     -0.00093     -0.00001     -0.00873      0.36817 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387442022
 Log product of positive Hessian eigenvalues =          520.2977292846
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7690475598
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000027
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000025
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000003
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000053
 Unscaled step for mode   17=       -0.0000000049
 Unscaled step for mode   18=       -0.0000000094
 Unscaled step for mode   19=       -0.0000000223
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000154
 Unscaled step for mode   22=       -0.0000000034
 Unscaled step for mode   23=        0.0000000041
 Unscaled step for mode   24=       -0.0000000045
 Unscaled step for mode   25=        0.0000000328
 Unscaled step for mode   26=        0.0000000542
 Unscaled step for mode   27=        0.0000000285
 Unscaled step for mode   28=        0.0000000068
 Unscaled step for mode   29=        0.0000000090
 Unscaled step for mode   30=        0.0000000494
 Unscaled step for mode   31=        0.0000000140
 Unscaled step for mode   32=        0.0000000053
 Unscaled step for mode   33=       -0.0000000219
 Unscaled step for mode   34=       -0.0000000121
 Unscaled step for mode   35=       -0.0000000650
 Unscaled step for mode   36=       -0.0000000188
 Unscaled step for mode   37=        0.0000000329
 Unscaled step for mode   38=        0.0000000143
 Unscaled step for mode   39=        0.0000000519
 Unscaled step for mode   40=       -0.0000000360
 Unscaled step for mode   41=       -0.0000000482
 Unscaled step for mode   42=        0.0000000187
 Unscaled step for mode   43=       -0.0000000175
 Unscaled step for mode   44=        0.0000000340
 Unscaled step for mode   45=       -0.0000000169
 Unscaled step for mode   46=       -0.0000000459
 Unscaled step for mode   47=        0.0000000963
 Unscaled step for mode   48=       -0.0000000016
 Unscaled step for mode   49=        0.0000000593
 Unscaled step for mode   50=        0.0000000373
 Unscaled step for mode   51=        0.0000000421
 Unscaled step for mode   52=       -0.0000000002
 Unscaled step for mode   53=        0.0000000429
 Unscaled step for mode   54=        0.0000000324
 Unscaled step for mode   55=       -0.0000000865
 Unscaled step for mode   56=       -0.0000000302
 Unscaled step for mode   57=        0.0000000197
 Unscaled step for mode   58=       -0.0000000808
 Unscaled step for mode   59=        0.0000000445
 Unscaled step for mode   60=       -0.0000000892
 Unscaled step for mode   61=       -0.0000000755
 Unscaled step for mode   62=       -0.0000001892
 Unscaled step for mode   63=        0.0000001296
 Unscaled step for mode   64=        0.0000000491
 Unscaled step for mode   65=       -0.0000000010
 Unscaled step for mode   66=       -0.0000001532
 Unscaled step for mode   67=        0.0000000143
 Unscaled step for mode   68=       -0.0000000479
 Unscaled step for mode   69=       -0.0000000106
 Unscaled step for mode   70=        0.0000001050
 Unscaled step for mode   71=       -0.0000000110
 Unscaled step for mode   72=       -0.0000002492
 Unscaled step for mode   73=        0.0000001199
 Unscaled step for mode   74=        0.0000002593
 Unscaled step for mode   75=        0.0000002477
 Unscaled step for mode   76=       -0.0000002487
 Unscaled step for mode   77=        0.0000005032
 Unscaled step for mode   78=        0.0000000437
 Unscaled step for mode   79=       -0.0000003507
 Unscaled step for mode   80=        0.0000001464
 Unscaled step for mode   81=        0.0000001597
 Unscaled step for mode   82=       -0.0000001842
 Unscaled step for mode   83=        0.0000001297
 Unscaled step for mode   84=       -0.0000002515
 Unscaled step for mode   85=       -0.0000004146
 Unscaled step for mode   86=        0.0000005026
 Unscaled step for mode   87=       -0.0000000711
 Unscaled step for mode   88=        0.0000000231
 Unscaled step for mode   89=       -0.0000005539
 Unscaled step for mode   90=        0.0000002735
 Unscaled step for mode   91=       -0.0000000062
 Unscaled step for mode   92=       -0.0000007353
 Unscaled step for mode   93=        0.0000007085
 Unscaled step for mode   94=       -0.0000004736
 Unscaled step for mode   95=        0.0000006804
 Unscaled step for mode   96=        0.0000002193
 Unscaled step for mode   97=       -0.0000006261
 Unscaled step for mode   98=       -0.0000004988
 Unscaled step for mode   99=       -0.0000015870
 Unscaled step for mode  100=        0.0000007008
 Unscaled step for mode  101=       -0.0000032101
 Unscaled step for mode  102=       -0.0000021874
 Unscaled step for mode  103=        0.0000005539
 Unscaled step for mode  104=       -0.0000015669
 Unscaled step for mode  105=        0.0000013716
 Unscaled step for mode  106=        0.0000000120
 Unscaled step for mode  107=       -0.0000059991
 Unscaled step for mode  108=       -0.0000041232
 Unscaled step for mode  109=        0.0000053704
 Unscaled step for mode  110=       -0.0000093256
 Unscaled step for mode  111=        0.0000870062
 Unscaled step for mode  112=        0.0000006963
 Unscaled step for mode  113=        0.0011484383
 Unscaled step for mode  114=        0.0767459602
 Largest modulus ratio of non-zero e/values=           151.7712198    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.132923E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.205565E-15    0.100751E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.894535E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.880964E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.841341E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.106352E-14    0.973632E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.670158E-06    0.723804E+03  0.925883E-09 0.100000E-04    0.979469E+00
   8   -0.182369E-05    0.671762E+03  0.271479E-08 0.100000E-04    0.984321E+00
   9    0.777032E-06    0.624783E+03 -0.124368E-08 0.100000E-04    0.992486E+00
  10    0.154007E-05    0.604233E+03 -0.254880E-08 0.100000E-04    0.995801E+00
  11   -0.105140E-05    0.589508E+03  0.178353E-08 0.100000E-04    0.999692E+00
  12    0.328546E-05    0.565586E+03 -0.580895E-08 0.100000E-04    0.999283E+00
  13    0.187906E-06    0.564315E+03 -0.332980E-09 0.100000E-04    0.766124E+00
  14   -0.560097E-05    0.479382E+03  0.116837E-07 0.100000E-04    0.997747E+00
  15    0.182534E-05    0.468671E+03 -0.389472E-08 0.100000E-04    0.993968E+00
  16    0.243408E-05    0.462608E+03 -0.526164E-08 0.100000E-04    0.994021E+00
  17    0.214700E-05    0.441366E+03 -0.486445E-08 0.100000E-04    0.997143E+00
  18    0.407249E-05    0.430995E+03 -0.944906E-08 0.100000E-04    0.996023E+00
  19    0.939876E-05    0.420915E+03 -0.223294E-07 0.100000E-04    0.995749E+00
  20    0.884130E-05    0.406468E+03 -0.217515E-07 0.100000E-04    0.999719E+00
  21    0.613657E-05    0.398101E+03 -0.154146E-07 0.100000E-04    0.997387E+00
  22    0.131358E-05    0.388659E+03 -0.337977E-08 0.100000E-04    0.980604E+00
  23   -0.150013E-05    0.367110E+03  0.408633E-08 0.100000E-04    0.990816E+00
  24    0.163684E-05    0.363221E+03 -0.450646E-08 0.100000E-04    0.995174E+00
  25   -0.115309E-04    0.352039E+03  0.327547E-07 0.100000E-04    0.994947E+00
  26   -0.184818E-04    0.340762E+03  0.542366E-07 0.100000E-04    0.994547E+00
  27   -0.925839E-05    0.324550E+03  0.285268E-07 0.100000E-04    0.994374E+00
  28   -0.220097E-05    0.321863E+03  0.683824E-08 0.100000E-04    0.967057E+00
  29   -0.285852E-05    0.318475E+03  0.897566E-08 0.100000E-04    0.962665E+00
  30   -0.156426E-04    0.316850E+03  0.493690E-07 0.100000E-04    0.991563E+00
  31   -0.426415E-05    0.305141E+03  0.139744E-07 0.100000E-04    0.986956E+00
  32   -0.152995E-05    0.287549E+03  0.532067E-08 0.100000E-04    0.986914E+00
  33    0.611359E-05    0.279628E+03 -0.218633E-07 0.100000E-04    0.996023E+00
  34    0.327026E-05    0.271094E+03 -0.120632E-07 0.100000E-04    0.994870E+00
  35    0.172769E-04    0.265840E+03 -0.649901E-07 0.100000E-04    0.994976E+00
  36    0.494496E-05    0.262759E+03 -0.188194E-07 0.100000E-04    0.988812E+00
  37   -0.848777E-05    0.258019E+03  0.328959E-07 0.100000E-04    0.993234E+00
  38   -0.363032E-05    0.253527E+03  0.143193E-07 0.100000E-04    0.995595E+00
  39   -0.126200E-04    0.243198E+03  0.518916E-07 0.100000E-04    0.996333E+00
  40    0.857738E-05    0.238571E+03 -0.359532E-07 0.100000E-04    0.991723E+00
  41    0.113301E-04    0.235060E+03 -0.482007E-07 0.100000E-04    0.988718E+00
  42   -0.427213E-05    0.228662E+03  0.186832E-07 0.100000E-04    0.991294E+00
  43    0.391186E-05    0.223336E+03 -0.175156E-07 0.100000E-04    0.987281E+00
  44   -0.723983E-05    0.212741E+03  0.340313E-07 0.100000E-04    0.982922E+00
  45    0.358060E-05    0.211509E+03 -0.169288E-07 0.100000E-04    0.992640E+00
  46    0.958676E-05    0.208991E+03 -0.458718E-07 0.100000E-04    0.990766E+00
  47   -0.195560E-04    0.203109E+03  0.962834E-07 0.100000E-04    0.993799E+00
  48    0.309325E-06    0.198254E+03 -0.156025E-08 0.100000E-04    0.907900E+00
  49   -0.115843E-04    0.195505E+03  0.592534E-07 0.100000E-04    0.991887E+00
  50   -0.714839E-05    0.191612E+03  0.373066E-07 0.100000E-04    0.999778E+00
  51   -0.782231E-05    0.185860E+03  0.420871E-07 0.100000E-04    0.991980E+00
  52    0.314625E-07    0.177125E+03 -0.177629E-09 0.100000E-04    0.700338E+00
  53   -0.732591E-05    0.170936E+03  0.428577E-07 0.100000E-04    0.994930E+00
  54   -0.544780E-05    0.167936E+03  0.324398E-07 0.100000E-04    0.987869E+00
  55    0.143226E-04    0.165651E+03 -0.864625E-07 0.100000E-04    0.995272E+00
  56    0.483284E-05    0.160287E+03 -0.301511E-07 0.100000E-04    0.999316E+00
  57   -0.302253E-05    0.153498E+03  0.196910E-07 0.100000E-04    0.989612E+00
  58    0.121948E-04    0.150981E+03 -0.807700E-07 0.100000E-04    0.994337E+00
  59   -0.663685E-05    0.149010E+03  0.445395E-07 0.100000E-04    0.996499E+00
  60    0.127408E-04    0.142836E+03 -0.891982E-07 0.100000E-04    0.992897E+00
  61    0.103346E-04    0.136940E+03 -0.754679E-07 0.100000E-04    0.994616E+00
  62    0.255553E-04    0.135069E+03 -0.189202E-06 0.100000E-04    0.997070E+00
  63   -0.169741E-04    0.130928E+03  0.129644E-06 0.100000E-04    0.997613E+00
  64   -0.626998E-05    0.127660E+03  0.491147E-07 0.100000E-04    0.986608E+00
  65    0.129739E-06    0.125957E+03 -0.103003E-08 0.100000E-04    0.825134E+00
  66    0.191560E-04    0.125056E+03 -0.153180E-06 0.100000E-04    0.996506E+00
  67   -0.170816E-05    0.119474E+03  0.142973E-07 0.100000E-04    0.981766E+00
  68    0.564955E-05    0.117951E+03 -0.478975E-07 0.100000E-04    0.995088E+00
  69    0.123087E-05    0.116648E+03 -0.105519E-07 0.100000E-04    0.986285E+00
  70   -0.117745E-04    0.112104E+03  0.105031E-06 0.100000E-04    0.990377E+00
  71    0.119980E-05    0.109513E+03 -0.109557E-07 0.100000E-04    0.982702E+00
  72    0.262335E-04    0.105290E+03 -0.249154E-06 0.100000E-04    0.995071E+00
  73   -0.123309E-04    0.102879E+03  0.119858E-06 0.100000E-04    0.991118E+00
  74   -0.259862E-04    0.100200E+03  0.259342E-06 0.100000E-04    0.997877E+00
  75   -0.240381E-04    0.970318E+02  0.247734E-06 0.100000E-04    0.990402E+00
  76    0.236541E-04    0.951031E+02 -0.248721E-06 0.100000E-04    0.995014E+00
  77   -0.458497E-04    0.911229E+02  0.503163E-06 0.100000E-04    0.993408E+00
  78   -0.397442E-05    0.908682E+02  0.437383E-07 0.100000E-04    0.955453E+00
  79    0.312129E-04    0.889965E+02 -0.350721E-06 0.100000E-04    0.997080E+00
  80   -0.123837E-04    0.845829E+02  0.146409E-06 0.100000E-04    0.992675E+00
  81   -0.129160E-04    0.808925E+02  0.159668E-06 0.100000E-04    0.995861E+00
  82    0.146176E-04    0.793485E+02 -0.184220E-06 0.100000E-04    0.995744E+00
  83   -0.101857E-04    0.785538E+02  0.129666E-06 0.100000E-04    0.992094E+00
  84    0.183141E-04    0.728336E+02 -0.251451E-06 0.100000E-04    0.995007E+00
  85    0.296734E-04    0.715675E+02 -0.414621E-06 0.100000E-04    0.997065E+00
  86   -0.345472E-04    0.687329E+02  0.502629E-06 0.100000E-04    0.998805E+00
  87    0.482340E-05    0.678596E+02 -0.710792E-07 0.100000E-04    0.932059E+00
  88   -0.146768E-05    0.634099E+02  0.231459E-07 0.100000E-04    0.981872E+00
  89    0.341699E-04    0.616870E+02 -0.553923E-06 0.100000E-04    0.995730E+00
  90   -0.163132E-04    0.596522E+02  0.273472E-06 0.100000E-04    0.998429E+00
  91    0.363205E-06    0.587909E+02 -0.617791E-08 0.100000E-04    0.977124E+00
  92    0.410799E-04    0.558660E+02 -0.735329E-06 0.100000E-04    0.994016E+00
  93   -0.378526E-04    0.534272E+02  0.708490E-06 0.100000E-04    0.999722E+00
  94    0.247397E-04    0.522356E+02 -0.473618E-06 0.100000E-04    0.995770E+00
  95   -0.342121E-04    0.502796E+02  0.680437E-06 0.100000E-04    0.999101E+00
  96   -0.105135E-04    0.479515E+02  0.219252E-06 0.100000E-04    0.994751E+00
  97    0.271245E-04    0.433260E+02 -0.626056E-06 0.100000E-04    0.997364E+00
  98    0.199571E-04    0.400113E+02 -0.498787E-06 0.100000E-04    0.994644E+00
  99    0.588084E-04    0.370567E+02 -0.158698E-05 0.100000E-04    0.992325E+00
 100   -0.253107E-04    0.361144E+02  0.700848E-06 0.100000E-04    0.988852E+00
 101    0.113299E-03    0.352945E+02 -0.321011E-05 0.100000E-04    0.998210E+00
 102    0.633926E-04    0.289809E+02 -0.218739E-05 0.100000E-04    0.996679E+00
 103   -0.159632E-04    0.288207E+02  0.553882E-06 0.100000E-04    0.997248E+00
 104    0.449963E-04    0.287167E+02 -0.156691E-05 0.100000E-04    0.998577E+00
 105   -0.316865E-04    0.231019E+02  0.137160E-05 0.100000E-04    0.993920E+00
 106   -0.263815E-06    0.219365E+02  0.120263E-07 0.100000E-04    0.477567E+00
 107    0.118213E-03    0.197051E+02 -0.599908E-05 0.100000E-04    0.998227E+00
 108    0.691696E-04    0.167759E+02 -0.412316E-05 0.100000E-04    0.995922E+00
 109   -0.740547E-04    0.137895E+02  0.537038E-05 0.100000E-04    0.998586E+00
 110    0.115619E-03    0.123980E+02 -0.932562E-05 0.100000E-04    0.995650E+00
 111   -0.933027E-03    0.107237E+02  0.100000E-04 0.100000E-04    0.724621E+00
 112   -0.664610E-05    0.954468E+01  0.696315E-06 0.100000E-04    0.970724E+00
 113   -0.873261E-02    0.760389E+01  0.120808E-04 0.120808E-04    0.306633E+00
 114    0.368174E+00    0.476905E+01  0.400000E-03 0.400000E-03    0.223564E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7674596016E-01

 Beginning of optimization cycle  173.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3887533605
 potential> RMS force:                                               0.0346707800   |gradient|=.3701826311    
 Eigenvalues of the Hessian matrix:
   723.86438    671.77633    624.79936    604.24090    589.50339    565.60856 
   564.35014    479.40083    468.64839    462.59817    441.36511    430.98526 
   420.92227    406.47890    398.09712    388.66183    367.11343    363.21113 
   352.03118    340.72491    324.55680    321.85493    318.48630    316.82985 
   305.13648    287.55325    279.62335    271.08889    265.84229    262.76884 
   258.02559    253.52890    243.18910    238.55747    235.07190    228.66361 
   223.31708    212.74349    211.51422    208.97763    203.11216    198.25025 
   195.50552    191.61158    185.85099    177.11074    170.94048    167.93216 
   165.64924    160.28167    153.49768    150.98038    149.01468    142.83974 
   136.94033    135.07428    130.92684    127.66001    125.95956    125.06142 
   119.47538    117.95117    116.65164    112.09693    109.50286    105.28678 
   102.88002    100.19647     97.02733     95.10374     91.13150     90.86250 
    89.00727     84.58480     80.89281     79.35199     78.55166     72.83147 
    71.57090     68.72397     67.86058     63.40929     61.67790     59.65221 
    58.79358     55.86712     53.42341     52.23512     50.27880     47.95025 
    43.32177     40.01377     37.05382     36.10999     35.30189     28.97722 
    28.81609     28.71495     23.09816     21.93636     19.70824     16.77706 
    13.78890     12.39613     10.71139      9.54626      7.60345      4.76741 
overlap for current and previous eigenvector    109 is        -0.9999985419
overlap for current and previous eigenvector    110 is         0.9999979791
overlap for current and previous eigenvector    111 is        -0.9999944596
overlap for current and previous eigenvector    112 is        -0.9999978125
overlap for current and previous eigenvector    113 is         0.9999987540
overlap for current and previous eigenvector    114 is        -0.9999995267
J1,K1,R1,R2,RAT=   7   7   -0.2467208843E-01     2.024505732        0.9753279116    
FOB,PFOB,DIAG,PSTEP=   -0.6866933889E-06   -0.6701578205E-06     723.8643751        0.9258827906E-09
J1,K1,R1,R2,RAT=   8   8   -0.1402814543E-02     2.001360210        0.9985971855    
FOB,PFOB,DIAG,PSTEP=   -0.1826252277E-05   -0.1823693918E-05     671.7763271        0.2714791656E-08
J1,K1,R1,R2,RAT=   9   9    0.8191638001E-02     1.991754527        0.9917545275    
FOB,PFOB,DIAG,PSTEP=    0.7706664615E-06    0.7770317961E-06     624.7993559       -0.1243683600E-08
J1,K1,R1,R2,RAT=  10  10   -0.8056885675E-02     2.008030886        0.9919431143    
FOB,PFOB,DIAG,PSTEP=    0.1552476930E-05    0.1540068612E-05     604.2409032       -0.2548799038E-08
J1,K1,R1,R2,RAT=  11  11   -0.3874828513E-02     2.003891223        0.9961251715    
FOB,PFOB,DIAG,PSTEP=   -0.1055478440E-05   -0.1051404461E-05     589.5033897        0.1783528069E-08
J1,K1,R1,R2,RAT= 109 109     2.000697139       -0.6126953773E-03    0.9993873046    
FOB,PFOB,DIAG,PSTEP=    0.7410011605E-04   -0.7405474496E-04     13.78889914        0.5370379291E-05
J1,K1,R1,R2,RAT= 110 110   -0.1138334030E-01     2.011686976        0.9886166597    
FOB,PFOB,DIAG,PSTEP=    0.1169351119E-03    0.1156191792E-03     12.39612796       -0.9325624032E-05
J1,K1,R1,R2,RAT= 111 111     17.69513840       -0.2739277423        0.7260722577    
FOB,PFOB,DIAG,PSTEP=    0.9623680199E-03   -0.9330265620E-03     10.71138603        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.937650213        0.6201746185E-01    0.9376502131    
FOB,PFOB,DIAG,PSTEP=    0.6233856314E-05   -0.6646099005E-05     9.546264089        0.6963146483E-06
J1,K1,R1,R2,RAT= 113 113   -0.8788102101         191.0164748        0.1211897899    
FOB,PFOB,DIAG,PSTEP=   -0.8813331986E-02   -0.8732608312E-02     7.603448931        0.1208078591E-04
J1,K1,R1,R2,RAT= 114 114    -387.1335548        0.9977539354        0.2246064597E-02
FOB,PFOB,DIAG,PSTEP=   -0.3700763371        0.3681736556         4.767411553        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
     0.00001     -0.00000      0.00000     -0.00001      0.00001     -0.00001 
     0.00001      0.00003     -0.00002     -0.00001      0.00000      0.00002 
    -0.00000      0.00001      0.00000     -0.00001     -0.00000      0.00003 
    -0.00001     -0.00003     -0.00002      0.00002     -0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001      0.00002 
     0.00003      0.00003     -0.00001      0.00000     -0.00003      0.00002 
     0.00000      0.00004     -0.00004      0.00002     -0.00003     -0.00001 
     0.00003      0.00002      0.00006     -0.00003     -0.00011     -0.00006 
     0.00002     -0.00005     -0.00003      0.00000     -0.00012      0.00007 
     0.00007      0.00012      0.00096      0.00001     -0.00881     -0.37008 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387363064
 Log product of positive Hessian eigenvalues =          520.2954142625
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7674115534
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000027
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000003
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000053
 Unscaled step for mode   17=       -0.0000000049
 Unscaled step for mode   18=       -0.0000000095
 Unscaled step for mode   19=       -0.0000000224
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000155
 Unscaled step for mode   22=       -0.0000000035
 Unscaled step for mode   23=        0.0000000041
 Unscaled step for mode   24=       -0.0000000045
 Unscaled step for mode   25=        0.0000000329
 Unscaled step for mode   26=        0.0000000546
 Unscaled step for mode   27=        0.0000000287
 Unscaled step for mode   28=        0.0000000066
 Unscaled step for mode   29=        0.0000000086
 Unscaled step for mode   30=        0.0000000497
 Unscaled step for mode   31=        0.0000000141
 Unscaled step for mode   32=        0.0000000054
 Unscaled step for mode   33=       -0.0000000220
 Unscaled step for mode   34=       -0.0000000122
 Unscaled step for mode   35=       -0.0000000652
 Unscaled step for mode   36=       -0.0000000190
 Unscaled step for mode   37=        0.0000000331
 Unscaled step for mode   38=        0.0000000143
 Unscaled step for mode   39=        0.0000000521
 Unscaled step for mode   40=       -0.0000000362
 Unscaled step for mode   41=       -0.0000000487
 Unscaled step for mode   42=        0.0000000188
 Unscaled step for mode   43=       -0.0000000176
 Unscaled step for mode   44=        0.0000000343
 Unscaled step for mode   45=       -0.0000000170
 Unscaled step for mode   46=       -0.0000000461
 Unscaled step for mode   47=        0.0000000967
 Unscaled step for mode   48=       -0.0000000017
 Unscaled step for mode   49=        0.0000000596
 Unscaled step for mode   50=        0.0000000376
 Unscaled step for mode   51=        0.0000000423
 Unscaled step for mode   52=        0.0000000002
 Unscaled step for mode   53=       -0.0000000430
 Unscaled step for mode   54=       -0.0000000327
 Unscaled step for mode   55=       -0.0000000868
 Unscaled step for mode   56=        0.0000000303
 Unscaled step for mode   57=       -0.0000000199
 Unscaled step for mode   58=        0.0000000813
 Unscaled step for mode   59=       -0.0000000444
 Unscaled step for mode   60=        0.0000000895
 Unscaled step for mode   61=       -0.0000000761
 Unscaled step for mode   62=       -0.0000001900
 Unscaled step for mode   63=        0.0000001304
 Unscaled step for mode   64=        0.0000000497
 Unscaled step for mode   65=       -0.0000000010
 Unscaled step for mode   66=       -0.0000001540
 Unscaled step for mode   67=        0.0000000142
 Unscaled step for mode   68=       -0.0000000482
 Unscaled step for mode   69=       -0.0000000109
 Unscaled step for mode   70=        0.0000001056
 Unscaled step for mode   71=        0.0000000112
 Unscaled step for mode   72=       -0.0000002511
 Unscaled step for mode   73=        0.0000001208
 Unscaled step for mode   74=        0.0000002605
 Unscaled step for mode   75=        0.0000002497
 Unscaled step for mode   76=       -0.0000002498
 Unscaled step for mode   77=        0.0000005055
 Unscaled step for mode   78=        0.0000000422
 Unscaled step for mode   79=       -0.0000003505
 Unscaled step for mode   80=        0.0000001472
 Unscaled step for mode   81=        0.0000001605
 Unscaled step for mode   82=       -0.0000001841
 Unscaled step for mode   83=        0.0000001298
 Unscaled step for mode   84=       -0.0000002537
 Unscaled step for mode   85=       -0.0000004173
 Unscaled step for mode   86=       -0.0000005036
 Unscaled step for mode   87=        0.0000000751
 Unscaled step for mode   88=       -0.0000000238
 Unscaled step for mode   89=        0.0000005571
 Unscaled step for mode   90=       -0.0000002759
 Unscaled step for mode   91=       -0.0000000065
 Unscaled step for mode   92=       -0.0000007386
 Unscaled step for mode   93=        0.0000007105
 Unscaled step for mode   94=       -0.0000004775
 Unscaled step for mode   95=        0.0000006815
 Unscaled step for mode   96=        0.0000002189
 Unscaled step for mode   97=       -0.0000006306
 Unscaled step for mode   98=       -0.0000005017
 Unscaled step for mode   99=       -0.0000016075
 Unscaled step for mode  100=        0.0000006924
 Unscaled step for mode  101=        0.0000032173
 Unscaled step for mode  102=        0.0000022035
 Unscaled step for mode  103=       -0.0000005548
 Unscaled step for mode  104=        0.0000015743
 Unscaled step for mode  105=        0.0000013808
 Unscaled step for mode  106=       -0.0000000266
 Unscaled step for mode  107=        0.0000060201
 Unscaled step for mode  108=       -0.0000040898
 Unscaled step for mode  109=       -0.0000053739
 Unscaled step for mode  110=       -0.0000094332
 Unscaled step for mode  111=       -0.0000898453
 Unscaled step for mode  112=       -0.0000006530
 Unscaled step for mode  113=        0.0011591214
 Unscaled step for mode  114=       -0.0771640524
 Largest modulus ratio of non-zero e/values=           151.8359317    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.452980E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.598263E-15    0.100751E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.118264E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.156559E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.369879E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.660794E-15    0.973634E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.686693E-06    0.723864E+03  0.948649E-09 0.100000E-04    0.975328E+00
   8   -0.182625E-05    0.671776E+03  0.271854E-08 0.100000E-04    0.998597E+00
   9    0.770666E-06    0.624799E+03 -0.123346E-08 0.100000E-04    0.991755E+00
  10    0.155248E-05    0.604241E+03 -0.256930E-08 0.100000E-04    0.991943E+00
  11   -0.105548E-05    0.589503E+03  0.179045E-08 0.100000E-04    0.996125E+00
  12    0.328197E-05    0.565609E+03 -0.580255E-08 0.100000E-04    0.998858E+00
  13    0.158039E-06    0.564350E+03 -0.280036E-09 0.100000E-04    0.840938E+00
  14   -0.559996E-05    0.479401E+03  0.116812E-07 0.100000E-04    0.999740E+00
  15    0.181582E-05    0.468648E+03 -0.387460E-08 0.100000E-04    0.994784E+00
  16    0.246119E-05    0.462598E+03 -0.532036E-08 0.100000E-04    0.988860E+00
  17    0.217618E-05    0.441365E+03 -0.493056E-08 0.100000E-04    0.986411E+00
  18    0.408050E-05    0.430985E+03 -0.946785E-08 0.100000E-04    0.998033E+00
  19    0.944965E-05    0.420922E+03 -0.224499E-07 0.100000E-04    0.994586E+00
  20    0.886083E-05    0.406479E+03 -0.217990E-07 0.100000E-04    0.997792E+00
  21    0.616338E-05    0.398097E+03 -0.154821E-07 0.100000E-04    0.995632E+00
  22    0.134584E-05    0.388662E+03 -0.346276E-08 0.100000E-04    0.975436E+00
  23   -0.149686E-05    0.367113E+03  0.407738E-08 0.100000E-04    0.997801E+00
  24    0.162710E-05    0.363211E+03 -0.447975E-08 0.100000E-04    0.994045E+00
  25   -0.115860E-04    0.352031E+03  0.329118E-07 0.100000E-04    0.995228E+00
  26   -0.185886E-04    0.340725E+03  0.545561E-07 0.100000E-04    0.994217E+00
  27   -0.929981E-05    0.324557E+03  0.286539E-07 0.100000E-04    0.995527E+00
  28   -0.211953E-05    0.321855E+03  0.658535E-08 0.100000E-04    0.962995E+00
  29   -0.272327E-05    0.318486E+03  0.855068E-08 0.100000E-04    0.952616E+00
  30   -0.157459E-04    0.316830E+03  0.496983E-07 0.100000E-04    0.993393E+00
  31   -0.429328E-05    0.305136E+03  0.140700E-07 0.100000E-04    0.993168E+00
  32   -0.155744E-05    0.287553E+03  0.541619E-08 0.100000E-04    0.982033E+00
  33    0.615638E-05    0.279623E+03 -0.220167E-07 0.100000E-04    0.993001E+00
  34    0.330952E-05    0.271089E+03 -0.122083E-07 0.100000E-04    0.987995E+00
  35    0.173338E-04    0.265842E+03 -0.652035E-07 0.100000E-04    0.996706E+00
  36    0.500450E-05    0.262769E+03 -0.190453E-07 0.100000E-04    0.987959E+00
  37   -0.854141E-05    0.258026E+03  0.331029E-07 0.100000E-04    0.993681E+00
  38   -0.362946E-05    0.253529E+03  0.143158E-07 0.100000E-04    0.999745E+00
  39   -0.126794E-04    0.243189E+03  0.521378E-07 0.100000E-04    0.995293E+00
  40    0.862849E-05    0.238557E+03 -0.361694E-07 0.100000E-04    0.994041E+00
  41    0.114537E-04    0.235072E+03 -0.487242E-07 0.100000E-04    0.989090E+00
  42   -0.429906E-05    0.228664E+03  0.188008E-07 0.100000E-04    0.993697E+00
  43    0.393958E-05    0.223317E+03 -0.176412E-07 0.100000E-04    0.992914E+00
  44   -0.729278E-05    0.212743E+03  0.342797E-07 0.100000E-04    0.992687E+00
  45    0.358860E-05    0.211514E+03 -0.169662E-07 0.100000E-04    0.997765E+00
  46    0.964121E-05    0.208978E+03 -0.461352E-07 0.100000E-04    0.994320E+00
  47   -0.196357E-04    0.203112E+03  0.966742E-07 0.100000E-04    0.995926E+00
  48    0.330560E-06    0.198250E+03 -0.166739E-08 0.100000E-04    0.931350E+00
  49   -0.116444E-04    0.195506E+03  0.595603E-07 0.100000E-04    0.994816E+00
  50   -0.721097E-05    0.191612E+03  0.376333E-07 0.100000E-04    0.991245E+00
  51   -0.785357E-05    0.185851E+03  0.422573E-07 0.100000E-04    0.996005E+00
  52   -0.274890E-07    0.177111E+03  0.155208E-09 0.100000E-04    0.873697E+00
  53    0.735257E-05    0.170940E+03 -0.430125E-07 0.100000E-04    0.996361E+00
  54    0.548765E-05    0.167932E+03 -0.326778E-07 0.100000E-04    0.992684E+00
  55    0.143736E-04    0.165649E+03 -0.867712E-07 0.100000E-04    0.996440E+00
  56   -0.486033E-05    0.160282E+03  0.303237E-07 0.100000E-04    0.994311E+00
  57    0.304797E-05    0.153498E+03 -0.198568E-07 0.100000E-04    0.991585E+00
  58   -0.122787E-04    0.150980E+03  0.813262E-07 0.100000E-04    0.993121E+00
  59    0.661912E-05    0.149015E+03 -0.444192E-07 0.100000E-04    0.997270E+00
  60   -0.127806E-04    0.142840E+03  0.894752E-07 0.100000E-04    0.996872E+00
  61    0.104277E-04    0.136940E+03 -0.761476E-07 0.100000E-04    0.990991E+00
  62    0.256578E-04    0.135074E+03 -0.189954E-06 0.100000E-04    0.995986E+00
  63   -0.170748E-04    0.130927E+03  0.130415E-06 0.100000E-04    0.994064E+00
  64   -0.634031E-05    0.127660E+03  0.496656E-07 0.100000E-04    0.988783E+00
  65    0.130588E-06    0.125960E+03 -0.103675E-08 0.100000E-04    0.993453E+00
  66    0.192628E-04    0.125061E+03 -0.154026E-06 0.100000E-04    0.994428E+00
  67   -0.170156E-05    0.119475E+03  0.142419E-07 0.100000E-04    0.996119E+00
  68    0.568657E-05    0.117951E+03 -0.482112E-07 0.100000E-04    0.993448E+00
  69    0.126887E-05    0.116652E+03 -0.108774E-07 0.100000E-04    0.969125E+00
  70   -0.118333E-04    0.112097E+03  0.105563E-06 0.100000E-04    0.995002E+00
  71   -0.122532E-05    0.109503E+03  0.111898E-07 0.100000E-04    0.978731E+00
  72    0.264385E-04    0.105287E+03 -0.251110E-06 0.100000E-04    0.992183E+00
  73   -0.124286E-04    0.102880E+03  0.120807E-06 0.100000E-04    0.992073E+00
  74   -0.260979E-04    0.100196E+03  0.260468E-06 0.100000E-04    0.995699E+00
  75   -0.242298E-04    0.970273E+02  0.249721E-06 0.100000E-04    0.992026E+00
  76    0.237546E-04    0.951037E+02 -0.249776E-06 0.100000E-04    0.995752E+00
  77   -0.460714E-04    0.911315E+02  0.505548E-06 0.100000E-04    0.995165E+00
  78   -0.383886E-05    0.908625E+02  0.422491E-07 0.100000E-04    0.965891E+00
  79    0.311929E-04    0.890073E+02 -0.350453E-06 0.100000E-04    0.999115E+00
  80   -0.124543E-04    0.845848E+02  0.147241E-06 0.100000E-04    0.994298E+00
  81   -0.129855E-04    0.808928E+02  0.160527E-06 0.100000E-04    0.994620E+00
  82    0.146056E-04    0.793520E+02 -0.184062E-06 0.100000E-04    0.999093E+00
  83   -0.101930E-04    0.785517E+02  0.129762E-06 0.100000E-04    0.999288E+00
  84    0.184792E-04    0.728315E+02 -0.253725E-06 0.100000E-04    0.990985E+00
  85    0.298645E-04    0.715709E+02 -0.417272E-06 0.100000E-04    0.993558E+00
  86    0.346125E-04    0.687240E+02 -0.503646E-06 0.100000E-04    0.998107E+00
  87   -0.509415E-05    0.678606E+02  0.750679E-07 0.100000E-04    0.943868E+00
  88    0.150714E-05    0.634093E+02 -0.237685E-07 0.100000E-04    0.973115E+00
  89   -0.343593E-04    0.616779E+02  0.557076E-06 0.100000E-04    0.994456E+00
  90    0.164603E-04    0.596522E+02 -0.275938E-06 0.100000E-04    0.990985E+00
  91    0.383952E-06    0.587936E+02 -0.653051E-08 0.100000E-04    0.942879E+00
  92    0.412661E-04    0.558671E+02 -0.738648E-06 0.100000E-04    0.995468E+00
  93   -0.379575E-04    0.534234E+02  0.710503E-06 0.100000E-04    0.997230E+00
  94    0.249426E-04    0.522351E+02 -0.477507E-06 0.100000E-04    0.991798E+00
  95   -0.342671E-04    0.502788E+02  0.681542E-06 0.100000E-04    0.998392E+00
  96   -0.104982E-04    0.479503E+02  0.218940E-06 0.100000E-04    0.998553E+00
  97    0.273167E-04    0.433218E+02 -0.630553E-06 0.100000E-04    0.992916E+00
  98    0.200765E-04    0.400138E+02 -0.501739E-06 0.100000E-04    0.994019E+00
  99    0.595623E-04    0.370538E+02 -0.160745E-05 0.100000E-04    0.987178E+00
 100   -0.250017E-04    0.361100E+02  0.692376E-06 0.100000E-04    0.987791E+00
 101   -0.113575E-03    0.353019E+02  0.321726E-05 0.100000E-04    0.997565E+00
 102   -0.638516E-04    0.289772E+02  0.220351E-05 0.100000E-04    0.992758E+00
 103    0.159863E-04    0.288161E+02 -0.554771E-06 0.100000E-04    0.998554E+00
 104   -0.452052E-04    0.287149E+02  0.157428E-05 0.100000E-04    0.995357E+00
 105   -0.318938E-04    0.230982E+02  0.138079E-05 0.100000E-04    0.993458E+00
 106    0.584263E-06    0.219364E+02 -0.266345E-07 0.100000E-04    0.214682E+00
 107   -0.118645E-03    0.197082E+02  0.602006E-05 0.100000E-04    0.996345E+00
 108    0.686144E-04    0.167771E+02 -0.408978E-05 0.100000E-04    0.991835E+00
 109    0.741001E-04    0.137889E+02 -0.537390E-05 0.100000E-04    0.999387E+00
 110    0.116935E-03    0.123961E+02 -0.943320E-05 0.100000E-04    0.988617E+00
 111    0.962368E-03    0.107114E+02 -0.100000E-04 0.100000E-04    0.726072E+00
 112    0.623386E-05    0.954626E+01 -0.653015E-06 0.100000E-04    0.937650E+00
 113   -0.881333E-02    0.760345E+01  0.131681E-04 0.131681E-04    0.121190E+00
 114   -0.370076E+00    0.476741E+01 -0.400000E-03 0.400000E-03    0.224606E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7716405240E-01

 Beginning of optimization cycle  174.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3886050749
 potential> RMS force:                                               0.0348490363   |gradient|=.3720858872    
 Eigenvalues of the Hessian matrix:
   723.92455    671.79050    624.81607    604.24876    589.49840    565.63175 
   564.38497    479.42013    468.62553    462.58831    441.36384    430.97590 
   420.92975    406.48971    398.09313    388.66491    367.11659    363.20114 
   352.02301    340.68803    324.56320    321.84749    318.49788    316.80956 
   305.13237    287.55756    279.61839    271.08367    265.84512    262.77874 
   258.03234    253.53129    243.17993    238.54428    235.08342    228.66517 
   223.29780    212.74658    211.51925    208.96468    203.11538    198.24625 
   195.50647    191.61148    185.84197    177.09655    170.94513    167.92856 
   165.64763    160.27595    153.49702    150.97941    149.01888    142.84303 
   136.94071    135.07968    130.92539    127.66016    125.96219    125.06730 
   119.47653    117.95153    116.65475    112.08953    109.49230    105.28308 
   102.88129    100.19252     97.02276     95.10440     91.14017     90.85681 
    89.01803     84.58676     80.89308     79.35551     78.54956     72.82934 
    71.57429     68.71501     67.86145     63.40866     61.66872     59.65218 
    58.79628     55.86819     53.41958     52.23466     50.27797     47.94900 
    43.31755     40.01625     37.05101     36.10540     35.30919     28.97370 
    28.81154     28.71302     23.09447     21.93616     19.71134     16.77821 
    13.78833     12.39427     10.69907      9.54785      7.60298      4.76574 
overlap for current and previous eigenvector    109 is         0.9999985576
overlap for current and previous eigenvector    110 is         0.9999980216
overlap for current and previous eigenvector    111 is         0.9999944164
overlap for current and previous eigenvector    112 is         0.9999977126
overlap for current and previous eigenvector    113 is         0.9999987394
overlap for current and previous eigenvector    114 is         0.9999995292
J1,K1,R1,R2,RAT=   7   7   -0.2001435690E-01     2.019848112        0.9799856431    
FOB,PFOB,DIAG,PSTEP=   -0.7004382580E-06   -0.6866933889E-06     723.9245493        0.9486492395E-09
J1,K1,R1,R2,RAT=   8   8   -0.1535692839E-01     2.015314734        0.9846430716    
FOB,PFOB,DIAG,PSTEP=   -0.1854298494E-05   -0.1826252277E-05     671.7904999        0.2718542175E-08
J1,K1,R1,R2,RAT=   9   9   -0.7190376546E-02     2.007136880        0.9928096235    
FOB,PFOB,DIAG,PSTEP=    0.7762079918E-06    0.7706664615E-06     624.8160686       -0.1233462317E-08
J1,K1,R1,R2,RAT=  10  10    0.4128752508E-02     1.995845237        0.9958452375    
FOB,PFOB,DIAG,PSTEP=    0.1546067053E-05    0.1552476930E-05     604.2487615       -0.2569301286E-08
J1,K1,R1,R2,RAT=  11  11    0.2701424652E-03     1.999746780        0.9997298575    
FOB,PFOB,DIAG,PSTEP=   -0.1055193313E-05   -0.1055478440E-05     589.4984019        0.1790453555E-08
J1,K1,R1,R2,RAT= 109 109   -0.1366438719E-02     2.001449684        0.9986335613    
FOB,PFOB,DIAG,PSTEP=    0.7420136510E-04    0.7410011605E-04     13.78832523       -0.5373896444E-05
J1,K1,R1,R2,RAT= 110 110   -0.4230977720E-02     2.004530405        0.9957690223    
FOB,PFOB,DIAG,PSTEP=    0.1174297877E-03    0.1169351119E-03     12.39427237       -0.9433196580E-05
J1,K1,R1,R2,RAT= 111 111   -0.2835721168         18.27332472        0.7164278832    
FOB,PFOB,DIAG,PSTEP=    0.9927075963E-03    0.9623680199E-03     10.69906898       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.3427197429E-01     2.033940614        0.9657280257    
FOB,PFOB,DIAG,PSTEP=    0.6447538281E-05    0.6233856314E-05     9.547845976       -0.6530152797E-06
J1,K1,R1,R2,RAT= 113 113   -0.7221154347         176.7837869        0.2778845653    
FOB,PFOB,DIAG,PSTEP=   -0.8885627597E-02   -0.8813331986E-02     7.602975987        0.1316805664E-04
J1,K1,R1,R2,RAT= 114 114    0.9977453729        -389.2648480        0.2254627076E-02
FOB,PFOB,DIAG,PSTEP=   -0.3719783368       -0.3700763371         4.765744182       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
     0.00001     -0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00001     -0.00003      0.00002      0.00001     -0.00000     -0.00002 
     0.00000      0.00001      0.00000     -0.00001     -0.00000      0.00003 
    -0.00001     -0.00003     -0.00002      0.00002     -0.00005      0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001      0.00002 
     0.00003      0.00003     -0.00001      0.00000     -0.00003      0.00002 
     0.00000      0.00004     -0.00004      0.00003     -0.00003     -0.00001 
    -0.00003     -0.00002     -0.00006     -0.00002     -0.00011     -0.00006 
     0.00002     -0.00005     -0.00003      0.00000     -0.00012      0.00007 
     0.00007      0.00012      0.00099      0.00001     -0.00889     -0.37198 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387300754
 Log product of positive Hessian eigenvalues =          520.2930789470
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7657441825
 Unscaled step for mode    7=        0.0000000010
 Unscaled step for mode    8=        0.0000000028
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000002
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000054
 Unscaled step for mode   17=       -0.0000000049
 Unscaled step for mode   18=       -0.0000000095
 Unscaled step for mode   19=       -0.0000000225
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000155
 Unscaled step for mode   22=       -0.0000000035
 Unscaled step for mode   23=        0.0000000040
 Unscaled step for mode   24=       -0.0000000045
 Unscaled step for mode   25=        0.0000000331
 Unscaled step for mode   26=        0.0000000549
 Unscaled step for mode   27=        0.0000000288
 Unscaled step for mode   28=        0.0000000063
 Unscaled step for mode   29=        0.0000000082
 Unscaled step for mode   30=        0.0000000501
 Unscaled step for mode   31=        0.0000000143
 Unscaled step for mode   32=        0.0000000055
 Unscaled step for mode   33=       -0.0000000221
 Unscaled step for mode   34=       -0.0000000123
 Unscaled step for mode   35=       -0.0000000655
 Unscaled step for mode   36=       -0.0000000193
 Unscaled step for mode   37=        0.0000000333
 Unscaled step for mode   38=        0.0000000144
 Unscaled step for mode   39=        0.0000000523
 Unscaled step for mode   40=       -0.0000000365
 Unscaled step for mode   41=       -0.0000000493
 Unscaled step for mode   42=        0.0000000190
 Unscaled step for mode   43=       -0.0000000179
 Unscaled step for mode   44=        0.0000000349
 Unscaled step for mode   45=       -0.0000000168
 Unscaled step for mode   46=       -0.0000000466
 Unscaled step for mode   47=        0.0000000973
 Unscaled step for mode   48=       -0.0000000018
 Unscaled step for mode   49=        0.0000000600
 Unscaled step for mode   50=        0.0000000376
 Unscaled step for mode   51=        0.0000000426
 Unscaled step for mode   52=        0.0000000001
 Unscaled step for mode   53=       -0.0000000432
 Unscaled step for mode   54=       -0.0000000331
 Unscaled step for mode   55=       -0.0000000872
 Unscaled step for mode   56=        0.0000000303
 Unscaled step for mode   57=       -0.0000000201
 Unscaled step for mode   58=        0.0000000818
 Unscaled step for mode   59=       -0.0000000446
 Unscaled step for mode   60=        0.0000000901
 Unscaled step for mode   61=        0.0000000766
 Unscaled step for mode   62=        0.0000001905
 Unscaled step for mode   63=       -0.0000001307
 Unscaled step for mode   64=       -0.0000000503
 Unscaled step for mode   65=        0.0000000008
 Unscaled step for mode   66=        0.0000001545
 Unscaled step for mode   67=       -0.0000000145
 Unscaled step for mode   68=       -0.0000000484
 Unscaled step for mode   69=       -0.0000000110
 Unscaled step for mode   70=        0.0000001066
 Unscaled step for mode   71=        0.0000000114
 Unscaled step for mode   72=       -0.0000002524
 Unscaled step for mode   73=        0.0000001219
 Unscaled step for mode   74=        0.0000002610
 Unscaled step for mode   75=        0.0000002521
 Unscaled step for mode   76=       -0.0000002510
 Unscaled step for mode   77=        0.0000005087
 Unscaled step for mode   78=       -0.0000000406
 Unscaled step for mode   79=       -0.0000003494
 Unscaled step for mode   80=        0.0000001483
 Unscaled step for mode   81=        0.0000001612
 Unscaled step for mode   82=       -0.0000001833
 Unscaled step for mode   83=        0.0000001308
 Unscaled step for mode   84=       -0.0000002550
 Unscaled step for mode   85=       -0.0000004185
 Unscaled step for mode   86=       -0.0000005042
 Unscaled step for mode   87=        0.0000000798
 Unscaled step for mode   88=       -0.0000000233
 Unscaled step for mode   89=        0.0000005595
 Unscaled step for mode   90=       -0.0000002764
 Unscaled step for mode   91=       -0.0000000067
 Unscaled step for mode   92=       -0.0000007430
 Unscaled step for mode   93=        0.0000007103
 Unscaled step for mode   94=       -0.0000004795
 Unscaled step for mode   95=        0.0000006809
 Unscaled step for mode   96=        0.0000002201
 Unscaled step for mode   97=        0.0000006323
 Unscaled step for mode   98=        0.0000005044
 Unscaled step for mode   99=        0.0000016197
 Unscaled step for mode  100=        0.0000006843
 Unscaled step for mode  101=        0.0000032220
 Unscaled step for mode  102=        0.0000022098
 Unscaled step for mode  103=       -0.0000005625
 Unscaled step for mode  104=        0.0000015707
 Unscaled step for mode  105=        0.0000013893
 Unscaled step for mode  106=       -0.0000000137
 Unscaled step for mode  107=        0.0000060293
 Unscaled step for mode  108=       -0.0000040727
 Unscaled step for mode  109=       -0.0000053815
 Unscaled step for mode  110=       -0.0000094745
 Unscaled step for mode  111=       -0.0000927845
 Unscaled step for mode  112=       -0.0000006753
 Unscaled step for mode  113=        0.0011687023
 Unscaled step for mode  114=       -0.0775827145
 Largest modulus ratio of non-zero e/values=           151.9016803    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.153523E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.307913E-16    0.100750E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.182827E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.941955E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.287205E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.450323E-15    0.973636E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.700438E-06    0.723925E+03  0.967557E-09 0.100000E-04    0.979986E+00
   8   -0.185430E-05    0.671790E+03  0.276023E-08 0.100000E-04    0.984643E+00
   9    0.776208E-06    0.624816E+03 -0.124230E-08 0.100000E-04    0.992810E+00
  10    0.154607E-05    0.604249E+03 -0.255866E-08 0.100000E-04    0.995845E+00
  11   -0.105519E-05    0.589498E+03  0.178999E-08 0.100000E-04    0.999730E+00
  12    0.328280E-05    0.565632E+03 -0.580377E-08 0.100000E-04    0.999749E+00
  13    0.994065E-07    0.564385E+03 -0.176133E-09 0.100000E-04    0.628901E+00
  14   -0.558725E-05    0.479420E+03  0.116542E-07 0.100000E-04    0.997650E+00
  15    0.182656E-05    0.468626E+03 -0.389769E-08 0.100000E-04    0.994088E+00
  16    0.247589E-05    0.462588E+03 -0.535226E-08 0.100000E-04    0.994026E+00
  17    0.218248E-05    0.441364E+03 -0.494486E-08 0.100000E-04    0.997103E+00
  18    0.409641E-05    0.430976E+03 -0.950496E-08 0.100000E-04    0.996102E+00
  19    0.948944E-05    0.420930E+03 -0.225440E-07 0.100000E-04    0.995789E+00
  20    0.885843E-05    0.406490E+03 -0.217925E-07 0.100000E-04    0.999676E+00
  21    0.617912E-05    0.398093E+03 -0.155218E-07 0.100000E-04    0.997445E+00
  22    0.137118E-05    0.388665E+03 -0.352792E-08 0.100000E-04    0.981175E+00
  23   -0.148281E-05    0.367117E+03  0.403908E-08 0.100000E-04    0.990599E+00
  24    0.161883E-05    0.363201E+03 -0.445712E-08 0.100000E-04    0.994921E+00
  25   -0.116439E-04    0.352023E+03  0.330770E-07 0.100000E-04    0.995002E+00
  26   -0.186889E-04    0.340688E+03  0.548564E-07 0.100000E-04    0.994606E+00
  27   -0.935171E-05    0.324563E+03  0.288132E-07 0.100000E-04    0.994419E+00
  28   -0.204323E-05    0.321847E+03  0.634844E-08 0.100000E-04    0.964002E+00
  29   -0.261845E-05    0.318498E+03  0.822126E-08 0.100000E-04    0.961438E+00
  30   -0.158724E-04    0.316810E+03  0.501008E-07 0.100000E-04    0.991965E+00
  31   -0.434854E-05    0.305132E+03  0.142513E-07 0.100000E-04    0.987130E+00
  32   -0.157750E-05    0.287558E+03  0.548587E-08 0.100000E-04    0.987118E+00
  33    0.618076E-05    0.279618E+03 -0.221043E-07 0.100000E-04    0.996041E+00
  34    0.332675E-05    0.271084E+03 -0.122721E-07 0.100000E-04    0.994793E+00
  35    0.174194E-04    0.265845E+03 -0.655247E-07 0.100000E-04    0.995063E+00
  36    0.506022E-05    0.262779E+03 -0.192566E-07 0.100000E-04    0.988867E+00
  37   -0.859872E-05    0.258032E+03  0.333242E-07 0.100000E-04    0.993290E+00
  38   -0.364483E-05    0.253531E+03  0.143762E-07 0.100000E-04    0.995766E+00
  39   -0.127251E-04    0.243180E+03  0.523280E-07 0.100000E-04    0.996391E+00
  40    0.869720E-05    0.238544E+03 -0.364595E-07 0.100000E-04    0.992036E+00
  41    0.115825E-04    0.235083E+03 -0.492699E-07 0.100000E-04    0.988752E+00
  42   -0.433612E-05    0.228665E+03  0.189628E-07 0.100000E-04    0.991377E+00
  43    0.398917E-05    0.223298E+03 -0.178648E-07 0.100000E-04    0.987412E+00
  44   -0.741449E-05    0.212747E+03  0.348513E-07 0.100000E-04    0.983310E+00
  45    0.356130E-05    0.211519E+03 -0.168367E-07 0.100000E-04    0.992343E+00
  46    0.972891E-05    0.208965E+03 -0.465577E-07 0.100000E-04    0.990903E+00
  47   -0.197556E-04    0.203115E+03  0.972627E-07 0.100000E-04    0.993896E+00
  48    0.356892E-06    0.198246E+03 -0.180024E-08 0.100000E-04    0.920341E+00
  49   -0.117378E-04    0.195506E+03  0.600377E-07 0.100000E-04    0.991979E+00
  50   -0.720927E-05    0.191611E+03  0.376244E-07 0.100000E-04    0.999765E+00
  51   -0.791585E-05    0.185842E+03  0.425945E-07 0.100000E-04    0.992069E+00
  52   -0.137795E-07    0.177097E+03  0.778077E-10 0.100000E-04    0.501233E+00
  53    0.738937E-05    0.170945E+03 -0.432266E-07 0.100000E-04    0.994995E+00
  54    0.555337E-05    0.167929E+03 -0.330699E-07 0.100000E-04    0.988023E+00
  55    0.144404E-04    0.165648E+03 -0.871756E-07 0.100000E-04    0.995350E+00
  56   -0.486362E-05    0.160276E+03  0.303453E-07 0.100000E-04    0.999323E+00
  57    0.307929E-05    0.153497E+03 -0.200609E-07 0.100000E-04    0.989725E+00
  58   -0.123481E-04    0.150979E+03  0.817868E-07 0.100000E-04    0.994342E+00
  59    0.664033E-05    0.149019E+03 -0.445604E-07 0.100000E-04    0.996795E+00
  60   -0.128699E-04    0.142843E+03  0.900982E-07 0.100000E-04    0.993013E+00
  61   -0.104838E-04    0.136941E+03  0.765573E-07 0.100000E-04    0.994617E+00
  62   -0.257315E-04    0.135080E+03  0.190491E-06 0.100000E-04    0.997130E+00
  63    0.171150E-04    0.130925E+03 -0.130723E-06 0.100000E-04    0.997646E+00
  64    0.642450E-05    0.127660E+03 -0.503250E-07 0.100000E-04    0.986721E+00
  65   -0.104200E-06    0.125962E+03  0.827231E-09 0.100000E-04    0.797888E+00
  66   -0.193291E-04    0.125067E+03  0.154549E-06 0.100000E-04    0.996557E+00
  67    0.173228E-05    0.119477E+03 -0.144989E-07 0.100000E-04    0.981948E+00
  68    0.571415E-05    0.117952E+03 -0.484449E-07 0.100000E-04    0.995149E+00
  69    0.128570E-05    0.116655E+03 -0.110214E-07 0.100000E-04    0.986735E+00
  70   -0.119456E-04    0.112090E+03  0.106572E-06 0.100000E-04    0.990512E+00
  71   -0.124619E-05    0.109492E+03  0.113816E-07 0.100000E-04    0.982961E+00
  72    0.265684E-04    0.105283E+03 -0.252352E-06 0.100000E-04    0.995087E+00
  73   -0.125373E-04    0.102881E+03  0.121862E-06 0.100000E-04    0.991251E+00
  74   -0.261516E-04    0.100193E+03  0.261014E-06 0.100000E-04    0.997943E+00
  75   -0.244601E-04    0.970228E+02  0.252107E-06 0.100000E-04    0.990492E+00
  76    0.238706E-04    0.951044E+02 -0.250993E-06 0.100000E-04    0.995118E+00
  77   -0.463647E-04    0.911402E+02  0.508718E-06 0.100000E-04    0.993634E+00
  78    0.368680E-05    0.908568E+02 -0.405781E-07 0.100000E-04    0.960386E+00
  79    0.311037E-04    0.890180E+02 -0.349409E-06 0.100000E-04    0.996901E+00
  80   -0.125441E-04    0.845868E+02  0.148299E-06 0.100000E-04    0.992788E+00
  81   -0.130386E-04    0.808931E+02  0.161183E-06 0.100000E-04    0.995908E+00
  82    0.145423E-04    0.793555E+02 -0.183255E-06 0.100000E-04    0.995574E+00
  83   -0.102729E-04    0.785496E+02  0.130782E-06 0.100000E-04    0.992163E+00
  84    0.185708E-04    0.728293E+02 -0.254991E-06 0.100000E-04    0.995040E+00
  85    0.299512E-04    0.715743E+02 -0.418464E-06 0.100000E-04    0.997097E+00
  86    0.346455E-04    0.687150E+02 -0.504191E-06 0.100000E-04    0.999049E+00
  87   -0.541256E-05    0.678614E+02  0.797590E-07 0.100000E-04    0.937496E+00
  88    0.147916E-05    0.634087E+02 -0.233274E-07 0.100000E-04    0.981435E+00
  89   -0.345047E-04    0.616687E+02  0.559517E-06 0.100000E-04    0.995767E+00
  90    0.164863E-04    0.596522E+02 -0.276374E-06 0.100000E-04    0.998418E+00
  91    0.391403E-06    0.587963E+02 -0.665693E-08 0.100000E-04    0.980597E+00
  92    0.415081E-04    0.558682E+02 -0.742965E-06 0.100000E-04    0.994135E+00
  93   -0.379449E-04    0.534196E+02  0.710317E-06 0.100000E-04    0.999668E+00
  94    0.250472E-04    0.522347E+02 -0.479513E-06 0.100000E-04    0.995807E+00
  95   -0.342338E-04    0.502780E+02  0.680891E-06 0.100000E-04    0.999028E+00
  96   -0.105523E-04    0.479490E+02  0.220074E-06 0.100000E-04    0.994846E+00
  97   -0.273877E-04    0.433175E+02  0.632254E-06 0.100000E-04    0.997399E+00
  98   -0.201834E-04    0.400163E+02  0.504381E-06 0.100000E-04    0.994671E+00
  99   -0.600108E-04    0.370510E+02  0.161968E-05 0.100000E-04    0.992469E+00
 100   -0.247060E-04    0.361054E+02  0.684274E-06 0.100000E-04    0.988171E+00
 101   -0.113768E-03    0.353092E+02  0.322205E-05 0.100000E-04    0.998305E+00
 102   -0.640261E-04    0.289737E+02  0.220980E-05 0.100000E-04    0.997267E+00
 103    0.162057E-04    0.288115E+02 -0.562473E-06 0.100000E-04    0.986273E+00
 104   -0.451003E-04    0.287130E+02  0.157073E-05 0.100000E-04    0.997680E+00
 105   -0.320842E-04    0.230945E+02  0.138926E-05 0.100000E-04    0.994027E+00
 106    0.301567E-06    0.219362E+02 -0.137475E-07 0.100000E-04    0.516145E+00
 107   -0.118846E-03    0.197113E+02  0.602934E-05 0.100000E-04    0.998301E+00
 108    0.683334E-04    0.167782E+02 -0.407275E-05 0.100000E-04    0.995767E+00
 109    0.742014E-04    0.137883E+02 -0.538146E-05 0.100000E-04    0.998634E+00
 110    0.117430E-03    0.123943E+02 -0.947452E-05 0.100000E-04    0.995769E+00
 111    0.992708E-03    0.106991E+02 -0.100000E-04 0.100000E-04    0.716428E+00
 112    0.644754E-05    0.954785E+01 -0.675287E-06 0.100000E-04    0.965728E+00
 113   -0.888563E-02    0.760298E+01  0.118631E-04 0.118631E-04    0.277885E+00
 114   -0.371978E+00    0.476574E+01 -0.400000E-03 0.400000E-03    0.225463E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7758271451E-01

 Beginning of optimization cycle  175.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3884560184
 potential> RMS force:                                               0.0350272499   |gradient|=.3739886881    
 Eigenvalues of the Hessian matrix:
   723.98478    671.80474    624.83277    604.25637    589.49347    565.65502 
   564.41960    479.43951    468.60268    462.57842    441.36257    430.96646 
   420.93717    406.50049    398.08911    388.66797    367.11973    363.19118 
   352.01479    340.65116    324.56957    321.84023    318.50970    316.78887 
   305.12819    287.56189    279.61342    271.07843    265.84798    262.78859 
   258.03901    253.53367    243.17077    238.53104    235.09488    228.66668 
   223.27849    212.74971    211.52422    208.95173    203.11858    198.24223 
   195.50737    191.61138    185.83290    177.08238    170.94983    167.92492 
   165.64599    160.27022    153.49640    150.97845    149.02308    142.84633 
   136.94110    135.08506    130.92396    127.66031    125.96480    125.07317 
   119.47770    117.95190    116.65788    112.08215    109.48176    105.27942 
   102.88257    100.18858     97.01815     95.10508     91.14887     90.85112 
    89.02875     84.58872     80.89335     79.35901     78.54746     72.82724 
    71.57774     68.70612     67.86229     63.40804     61.65956     59.65216 
    58.79899     55.86928     53.41575     52.23423     50.27714     47.94776 
    43.31334     40.01875     37.04831     36.10080     35.31653     28.97033 
    28.80710     28.71085     23.09079     21.93591     19.71450     16.77934 
    13.78776     12.39243     10.68676      9.54941      7.60250      4.76405 
overlap for current and previous eigenvector    109 is        -0.9999985768
overlap for current and previous eigenvector    110 is         0.9999980566
overlap for current and previous eigenvector    111 is        -0.9999943768
overlap for current and previous eigenvector    112 is        -0.9999976183
overlap for current and previous eigenvector    113 is         0.9999987249
overlap for current and previous eigenvector    114 is        -0.9999995319
J1,K1,R1,R2,RAT=   7   7   -0.2386552850E-01     2.023699132        0.9761344715    
FOB,PFOB,DIAG,PSTEP=   -0.7171559781E-06   -0.7004382580E-06     723.9847835        0.9675569901E-09
J1,K1,R1,R2,RAT=   8   8   -0.1513125128E-02     2.001470732        0.9984868749    
FOB,PFOB,DIAG,PSTEP=   -0.1857104339E-05   -0.1854298494E-05     671.8047398        0.2760233279E-08
J1,K1,R1,R2,RAT=   9   9    0.8078144995E-02     1.991868411        0.9918684112    
FOB,PFOB,DIAG,PSTEP=    0.7699375035E-06    0.7762079918E-06     624.8327653       -0.1242298383E-08
J1,K1,R1,R2,RAT=  10  10   -0.7976447241E-02     2.007951250        0.9920235528    
FOB,PFOB,DIAG,PSTEP=    0.1558399331E-05    0.1546067053E-05     604.2563743       -0.2558659863E-08
J1,K1,R1,R2,RAT=  11  11   -0.3857028481E-02     2.003873770        0.9961429715    
FOB,PFOB,DIAG,PSTEP=   -0.1059263189E-05   -0.1055193313E-05     589.4934674        0.1789985026E-08
J1,K1,R1,R2,RAT= 109 109     2.000646630       -0.5653442902E-03    0.9994346557    
FOB,PFOB,DIAG,PSTEP=   -0.7424331272E-04    0.7420136510E-04     13.78776486       -0.5381463220E-05
J1,K1,R1,R2,RAT= 110 110   -0.1112678768E-01     2.011424351        0.9888732123    
FOB,PFOB,DIAG,PSTEP=    0.1187362096E-03    0.1174297877E-03     12.39242860       -0.9474520504E-05
J1,K1,R1,R2,RAT= 111 111     18.86027235       -0.2820010913        0.7179989087    
FOB,PFOB,DIAG,PSTEP=   -0.1022844375E-02    0.9927075963E-03     10.68675963       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.939094479        0.6057752490E-01    0.9390944790    
FOB,PFOB,DIAG,PSTEP=   -0.6056898306E-05    0.6447538281E-05     9.549412061       -0.6752872110E-06
J1,K1,R1,R2,RAT= 113 113   -0.9103675188         197.9542759        0.8963248120E-01
FOB,PFOB,DIAG,PSTEP=   -0.8967733020E-02   -0.8885627597E-02     7.602499198        0.1186311409E-04
J1,K1,R1,R2,RAT= 114 114    -391.3987462        0.9977350909        0.2264909053E-02
FOB,PFOB,DIAG,PSTEP=    0.3738796425       -0.3719783368         4.764054475       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00001      0.00000      0.00000      0.00001     -0.00001     -0.00001 
    -0.00001     -0.00003      0.00002      0.00001     -0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00001      0.00000     -0.00003 
     0.00001     -0.00003     -0.00002      0.00002      0.00005      0.00000 
     0.00003     -0.00001      0.00001     -0.00001     -0.00001     -0.00002 
    -0.00003     -0.00003      0.00001     -0.00000      0.00003     -0.00002 
    -0.00000     -0.00004      0.00004     -0.00003      0.00003      0.00001 
    -0.00003     -0.00002     -0.00006     -0.00002     -0.00011     -0.00006 
     0.00002     -0.00005      0.00003     -0.00000      0.00012     -0.00007 
    -0.00007      0.00012     -0.00102     -0.00001     -0.00897      0.37388 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387200426
 Log product of positive Hessian eigenvalues =          520.2907450464
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7640544753
 Unscaled step for mode    7=        0.0000000010
 Unscaled step for mode    8=        0.0000000028
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=        0.0000000117
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000054
 Unscaled step for mode   17=       -0.0000000050
 Unscaled step for mode   18=       -0.0000000095
 Unscaled step for mode   19=       -0.0000000227
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000156
 Unscaled step for mode   22=       -0.0000000036
 Unscaled step for mode   23=        0.0000000040
 Unscaled step for mode   24=       -0.0000000044
 Unscaled step for mode   25=        0.0000000332
 Unscaled step for mode   26=        0.0000000552
 Unscaled step for mode   27=        0.0000000289
 Unscaled step for mode   28=        0.0000000061
 Unscaled step for mode   29=        0.0000000078
 Unscaled step for mode   30=        0.0000000504
 Unscaled step for mode   31=        0.0000000143
 Unscaled step for mode   32=        0.0000000056
 Unscaled step for mode   33=       -0.0000000223
 Unscaled step for mode   34=       -0.0000000124
 Unscaled step for mode   35=       -0.0000000657
 Unscaled step for mode   36=       -0.0000000195
 Unscaled step for mode   37=        0.0000000335
 Unscaled step for mode   38=        0.0000000144
 Unscaled step for mode   39=        0.0000000526
 Unscaled step for mode   40=       -0.0000000367
 Unscaled step for mode   41=       -0.0000000498
 Unscaled step for mode   42=        0.0000000191
 Unscaled step for mode   43=       -0.0000000180
 Unscaled step for mode   44=        0.0000000351
 Unscaled step for mode   45=       -0.0000000169
 Unscaled step for mode   46=       -0.0000000468
 Unscaled step for mode   47=        0.0000000977
 Unscaled step for mode   48=       -0.0000000019
 Unscaled step for mode   49=        0.0000000603
 Unscaled step for mode   50=        0.0000000380
 Unscaled step for mode   51=        0.0000000428
 Unscaled step for mode   52=       -0.0000000001
 Unscaled step for mode   53=        0.0000000434
 Unscaled step for mode   54=        0.0000000333
 Unscaled step for mode   55=       -0.0000000875
 Unscaled step for mode   56=       -0.0000000305
 Unscaled step for mode   57=       -0.0000000202
 Unscaled step for mode   58=       -0.0000000823
 Unscaled step for mode   59=        0.0000000444
 Unscaled step for mode   60=        0.0000000904
 Unscaled step for mode   61=        0.0000000772
 Unscaled step for mode   62=        0.0000001912
 Unscaled step for mode   63=       -0.0000001315
 Unscaled step for mode   64=       -0.0000000509
 Unscaled step for mode   65=        0.0000000008
 Unscaled step for mode   66=        0.0000001554
 Unscaled step for mode   67=       -0.0000000144
 Unscaled step for mode   68=       -0.0000000488
 Unscaled step for mode   69=        0.0000000113
 Unscaled step for mode   70=       -0.0000001071
 Unscaled step for mode   71=       -0.0000000116
 Unscaled step for mode   72=        0.0000002543
 Unscaled step for mode   73=       -0.0000001228
 Unscaled step for mode   74=        0.0000002621
 Unscaled step for mode   75=        0.0000002541
 Unscaled step for mode   76=       -0.0000002520
 Unscaled step for mode   77=       -0.0000005111
 Unscaled step for mode   78=       -0.0000000394
 Unscaled step for mode   79=       -0.0000003491
 Unscaled step for mode   80=        0.0000001491
 Unscaled step for mode   81=       -0.0000001620
 Unscaled step for mode   82=        0.0000001831
 Unscaled step for mode   83=        0.0000001309
 Unscaled step for mode   84=        0.0000002573
 Unscaled step for mode   85=        0.0000004211
 Unscaled step for mode   86=        0.0000005051
 Unscaled step for mode   87=       -0.0000000839
 Unscaled step for mode   88=        0.0000000239
 Unscaled step for mode   89=       -0.0000005627
 Unscaled step for mode   90=        0.0000002788
 Unscaled step for mode   91=        0.0000000070
 Unscaled step for mode   92=        0.0000007463
 Unscaled step for mode   93=       -0.0000007123
 Unscaled step for mode   94=        0.0000004834
 Unscaled step for mode   95=       -0.0000006819
 Unscaled step for mode   96=       -0.0000002198
 Unscaled step for mode   97=        0.0000006367
 Unscaled step for mode   98=        0.0000005074
 Unscaled step for mode   99=        0.0000016401
 Unscaled step for mode  100=        0.0000006754
 Unscaled step for mode  101=        0.0000032289
 Unscaled step for mode  102=        0.0000022245
 Unscaled step for mode  103=       -0.0000005731
 Unscaled step for mode  104=        0.0000015765
 Unscaled step for mode  105=       -0.0000013985
 Unscaled step for mode  106=        0.0000000284
 Unscaled step for mode  107=       -0.0000060496
 Unscaled step for mode  108=        0.0000040389
 Unscaled step for mode  109=        0.0000053847
 Unscaled step for mode  110=       -0.0000095814
 Unscaled step for mode  111=        0.0000957114
 Unscaled step for mode  112=        0.0000006343
 Unscaled step for mode  113=        0.0011795753
 Unscaled step for mode  114=        0.0780018061
 Largest modulus ratio of non-zero e/values=           151.9682000    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.122732E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.303143E-15    0.100750E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.734107E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.312250E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.619296E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.451950E-15    0.973637E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.717156E-06    0.723985E+03  0.990568E-09 0.100000E-04    0.976134E+00
   8   -0.185710E-05    0.671805E+03  0.276435E-08 0.100000E-04    0.998487E+00
   9    0.769938E-06    0.624833E+03 -0.123223E-08 0.100000E-04    0.991868E+00
  10    0.155840E-05    0.604256E+03 -0.257904E-08 0.100000E-04    0.992024E+00
  11   -0.105926E-05    0.589493E+03  0.179690E-08 0.100000E-04    0.996143E+00
  12    0.327843E-05    0.565655E+03 -0.579581E-08 0.100000E-04    0.998587E+00
  13    0.680479E-07    0.564420E+03 -0.120563E-09 0.100000E-04    0.684438E+00
  14   -0.558572E-05    0.479440E+03  0.116505E-07 0.100000E-04    0.999645E+00
  15    0.181719E-05    0.468603E+03 -0.387789E-08 0.100000E-04    0.994869E+00
  16    0.250302E-05    0.462578E+03 -0.541102E-08 0.100000E-04    0.989043E+00
  17    0.221154E-05    0.441363E+03 -0.501070E-08 0.100000E-04    0.986688E+00
  18    0.410443E-05    0.430966E+03 -0.952379E-08 0.100000E-04    0.998042E+00
  19    0.954034E-05    0.420937E+03 -0.226645E-07 0.100000E-04    0.994637E+00
  20    0.887737E-05    0.406500E+03 -0.218385E-07 0.100000E-04    0.997861E+00
  21    0.620562E-05    0.398089E+03 -0.155885E-07 0.100000E-04    0.995712E+00
  22    0.140368E-05    0.388668E+03 -0.361151E-08 0.100000E-04    0.976299E+00
  23   -0.147947E-05    0.367120E+03  0.402993E-08 0.100000E-04    0.997725E+00
  24    0.160880E-05    0.363191E+03 -0.442963E-08 0.100000E-04    0.993804E+00
  25   -0.116990E-04    0.352015E+03  0.332343E-07 0.100000E-04    0.995268E+00
  26   -0.187959E-04    0.340651E+03  0.551763E-07 0.100000E-04    0.994275E+00
  27   -0.939342E-05    0.324570E+03  0.289412E-07 0.100000E-04    0.995539E+00
  28   -0.196064E-05    0.321840E+03  0.609197E-08 0.100000E-04    0.959578E+00
  29   -0.248971E-05    0.318510E+03  0.781675E-08 0.100000E-04    0.950760E+00
  30   -0.159713E-04    0.316789E+03  0.504164E-07 0.100000E-04    0.993766E+00
  31   -0.437832E-05    0.305128E+03  0.143491E-07 0.100000E-04    0.993152E+00
  32   -0.160514E-05    0.287562E+03  0.558189E-08 0.100000E-04    0.982482E+00
  33    0.622367E-05    0.279613E+03 -0.222581E-07 0.100000E-04    0.993056E+00
  34    0.336618E-05    0.271078E+03 -0.124177E-07 0.100000E-04    0.988149E+00
  35    0.174758E-04    0.265848E+03 -0.657361E-07 0.100000E-04    0.996763E+00
  36    0.512040E-05    0.262789E+03 -0.194849E-07 0.100000E-04    0.988107E+00
  37   -0.865278E-05    0.258039E+03  0.335328E-07 0.100000E-04    0.993713E+00
  38   -0.364378E-05    0.253534E+03  0.143720E-07 0.100000E-04    0.999694E+00
  39   -0.127841E-04    0.243171E+03  0.525723E-07 0.100000E-04    0.995368E+00
  40    0.874678E-05    0.238531E+03 -0.366694E-07 0.100000E-04    0.994299E+00
  41    0.117084E-04    0.235095E+03 -0.498028E-07 0.100000E-04    0.989135E+00
  42   -0.436320E-05    0.228667E+03  0.190811E-07 0.100000E-04    0.993756E+00
  43    0.401757E-05    0.223278E+03 -0.179935E-07 0.100000E-04    0.992880E+00
  44   -0.746861E-05    0.212750E+03  0.351052E-07 0.100000E-04    0.992701E+00
  45    0.356887E-05    0.211524E+03 -0.168721E-07 0.100000E-04    0.997874E+00
  46    0.978405E-05    0.208952E+03 -0.468244E-07 0.100000E-04    0.994332E+00
  47   -0.198351E-04    0.203119E+03  0.976526E-07 0.100000E-04    0.995975E+00
  48    0.378392E-06    0.198242E+03 -0.190873E-08 0.100000E-04    0.939756E+00
  49   -0.117981E-04    0.195507E+03  0.603460E-07 0.100000E-04    0.994861E+00
  50   -0.727167E-05    0.191611E+03  0.379501E-07 0.100000E-04    0.991345E+00
  51   -0.794747E-05    0.185833E+03  0.427667E-07 0.100000E-04    0.996005E+00
  52    0.963963E-08    0.177082E+03 -0.544358E-10 0.100000E-04    0.699540E+00
  53   -0.741638E-05    0.170950E+03  0.433834E-07 0.100000E-04    0.996345E+00
  54   -0.559388E-05    0.167925E+03  0.333118E-07 0.100000E-04    0.992705E+00
  55    0.144911E-04    0.165646E+03 -0.874825E-07 0.100000E-04    0.996489E+00
  56    0.489070E-05    0.160270E+03 -0.305154E-07 0.100000E-04    0.994432E+00
  57    0.310544E-05    0.153496E+03 -0.202313E-07 0.100000E-04    0.991508E+00
  58    0.124325E-04    0.150978E+03 -0.823460E-07 0.100000E-04    0.993170E+00
  59   -0.662132E-05    0.149023E+03  0.444315E-07 0.100000E-04    0.997080E+00
  60   -0.129102E-04    0.142846E+03  0.903783E-07 0.100000E-04    0.996868E+00
  61   -0.105777E-04    0.136941E+03  0.772425E-07 0.100000E-04    0.991047E+00
  62   -0.258331E-04    0.135085E+03  0.191236E-06 0.100000E-04    0.996050E+00
  63    0.172152E-04    0.130924E+03 -0.131490E-06 0.100000E-04    0.994149E+00
  64    0.649632E-05    0.127660E+03 -0.508875E-07 0.100000E-04    0.988821E+00
  65   -0.105815E-06    0.125965E+03  0.840033E-09 0.100000E-04    0.984504E+00
  66   -0.194354E-04    0.125073E+03  0.155392E-06 0.100000E-04    0.994502E+00
  67    0.172594E-05    0.119478E+03 -0.144457E-07 0.100000E-04    0.996320E+00
  68    0.575116E-05    0.117952E+03 -0.487585E-07 0.100000E-04    0.993524E+00
  69   -0.132386E-05    0.116658E+03  0.113482E-07 0.100000E-04    0.970322E+00
  70    0.120047E-04    0.112082E+03 -0.107106E-06 0.100000E-04    0.995052E+00
  71    0.127190E-05    0.109482E+03 -0.116174E-07 0.100000E-04    0.979370E+00
  72   -0.267739E-04    0.105279E+03  0.254313E-06 0.100000E-04    0.992266E+00
  73    0.126355E-04    0.102883E+03 -0.122815E-06 0.100000E-04    0.992170E+00
  74   -0.262617E-04    0.100189E+03  0.262123E-06 0.100000E-04    0.995792E+00
  75   -0.246545E-04    0.970182E+02  0.254123E-06 0.100000E-04    0.992052E+00
  76    0.239697E-04    0.951051E+02 -0.252034E-06 0.100000E-04    0.995847E+00
  77    0.465824E-04    0.911489E+02 -0.511059E-06 0.100000E-04    0.995304E+00
  78    0.357945E-05    0.908511E+02 -0.393991E-07 0.100000E-04    0.970882E+00
  79    0.310785E-04    0.890287E+02 -0.349084E-06 0.100000E-04    0.998949E+00
  80   -0.126147E-04    0.845887E+02  0.149130E-06 0.100000E-04    0.994378E+00
  81    0.131077E-04    0.808934E+02 -0.162037E-06 0.100000E-04    0.994700E+00
  82   -0.145280E-04    0.793590E+02  0.183067E-06 0.100000E-04    0.998931E+00
  83   -0.102809E-04    0.785475E+02  0.130888E-06 0.100000E-04    0.999216E+00
  84   -0.187361E-04    0.728272E+02  0.257268E-06 0.100000E-04    0.991099E+00
  85   -0.301420E-04    0.715777E+02  0.421108E-06 0.100000E-04    0.993632E+00
  86   -0.347026E-04    0.687061E+02  0.505088E-06 0.100000E-04    0.998349E+00
  87    0.569651E-05    0.678623E+02 -0.839422E-07 0.100000E-04    0.947540E+00
  88   -0.151668E-05    0.634080E+02  0.239194E-07 0.100000E-04    0.974633E+00
  89    0.346940E-04    0.616596E+02 -0.562670E-06 0.100000E-04    0.994514E+00
  90   -0.166332E-04    0.596522E+02  0.278836E-06 0.100000E-04    0.991094E+00
  91   -0.411541E-06    0.587990E+02  0.699911E-08 0.100000E-04    0.948552E+00
  92   -0.416930E-04    0.558693E+02  0.746259E-06 0.100000E-04    0.995547E+00
  93    0.380467E-04    0.534158E+02 -0.712274E-06 0.100000E-04    0.997317E+00
  94   -0.252493E-04    0.522342E+02  0.483387E-06 0.100000E-04    0.991930E+00
  95    0.342860E-04    0.502771E+02 -0.681939E-06 0.100000E-04    0.998477E+00
  96    0.105366E-04    0.479478E+02 -0.219752E-06 0.100000E-04    0.998510E+00
  97   -0.275797E-04    0.433133E+02  0.636748E-06 0.100000E-04    0.992988E+00
  98   -0.203039E-04    0.400187E+02  0.507360E-06 0.100000E-04    0.994033E+00
  99   -0.607632E-04    0.370483E+02  0.164011E-05 0.100000E-04    0.987461E+00
 100   -0.243822E-04    0.361008E+02  0.675392E-06 0.100000E-04    0.986892E+00
 101   -0.114034E-03    0.353165E+02  0.322892E-05 0.100000E-04    0.997660E+00
 102   -0.644441E-04    0.289703E+02  0.222448E-05 0.100000E-04    0.993471E+00
 103    0.165082E-04    0.288071E+02 -0.573060E-06 0.100000E-04    0.981333E+00
 104   -0.452629E-04    0.287109E+02  0.157651E-05 0.100000E-04    0.996395E+00
 105    0.322923E-04    0.230908E+02 -0.139849E-05 0.100000E-04    0.993514E+00
 106   -0.623311E-06    0.219359E+02  0.284151E-07 0.109000E-04    0.669181E-01
 107    0.119265E-03    0.197145E+02 -0.604960E-05 0.100000E-04    0.996480E+00
 108   -0.677706E-04    0.167793E+02  0.403893E-05 0.100000E-04    0.991629E+00
 109   -0.742433E-04    0.137878E+02  0.538472E-05 0.100000E-04    0.999435E+00
 110    0.118736E-03    0.123924E+02 -0.958135E-05 0.100000E-04    0.988873E+00
 111   -0.102284E-02    0.106868E+02  0.100000E-04 0.100000E-04    0.717999E+00
 112   -0.605690E-05    0.954941E+01  0.634269E-06 0.100000E-04    0.939094E+00
 113   -0.896773E-02    0.760250E+01  0.129308E-04 0.129308E-04    0.896325E-01
 114    0.373880E+00    0.476405E+01  0.400000E-03 0.400000E-03    0.226491E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7800180610E-01

 Beginning of optimization cycle  176.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3883062123
 potential> RMS force:                                               0.0352053797   |gradient|=.3758905938    
 Eigenvalues of the Hessian matrix:
   724.04498    671.81884    624.84936    604.26399    589.48838    565.67855 
   564.45401    479.45892    468.57981    462.56860    441.36133    430.95711 
   420.94462    406.51129    398.08510    388.67101    367.12293    363.18121 
   352.00664    340.61441    324.57599    321.83312    318.52170    316.76783 
   305.12400    287.56627    279.60844    271.07325    265.85091    262.79851 
   258.04583    253.53608    243.16172    238.51785    235.10634    228.66819 
   223.25918    212.75296    211.52921    208.93877    203.12181    198.23825 
   195.50825    191.61128    185.82381    177.06822    170.95455    167.92128 
   165.64435    160.26443    153.49587    150.97751    149.02717    142.84960 
   136.94149    135.09047    130.92251    127.66050    125.96738    125.07902 
   119.47887    117.95228    116.66097    112.07476    109.47116    105.27574 
   102.88385    100.18465     97.01347     95.10572     91.15764     90.84544 
    89.03943     84.59069     80.89363     79.36251     78.54537     72.82514 
    71.58116     68.69723     67.86301     63.40743     61.65033     59.65215 
    58.80167     55.87037     53.41189     52.23381     50.27629     47.94649 
    43.30914     40.02123     37.04572     36.09600     35.32381     28.96710 
    28.80278     28.70842     23.08716     21.93564     19.71766     16.78045 
    13.78721     12.39061     10.67443      9.55097      7.60199      4.76233 
overlap for current and previous eigenvector    109 is         0.9999985921
overlap for current and previous eigenvector    110 is        -0.9999980968
overlap for current and previous eigenvector    111 is         0.9999943191
overlap for current and previous eigenvector    112 is        -0.9999975062
overlap for current and previous eigenvector    113 is         0.9999987096
overlap for current and previous eigenvector    114 is        -0.9999995344
J1,K1,R1,R2,RAT=   7   7   -0.1952441341E-01     2.019358127        0.9804755866    
FOB,PFOB,DIAG,PSTEP=   -0.7311591921E-06   -0.7171559781E-06     724.0449831        0.9905677501E-09
J1,K1,R1,R2,RAT=   8   8   -0.1504474962E-01     2.015002761        0.9849552504    
FOB,PFOB,DIAG,PSTEP=   -0.1885044596E-05   -0.1857104339E-05     671.8188440        0.2764351350E-08
J1,K1,R1,R2,RAT=   9   9   -0.6868391724E-02     2.006815280        0.9931316083    
FOB,PFOB,DIAG,PSTEP=    0.7752258764E-06    0.7699375035E-06     624.8493586       -0.1232229720E-08
J1,K1,R1,R2,RAT=  10  10    0.4084204124E-02     1.995890594        0.9958905941    
FOB,PFOB,DIAG,PSTEP=    0.1552034430E-05    0.1558399331E-05     604.2639886       -0.2579036643E-08
J1,K1,R1,R2,RAT=  11  11    0.2343869986E-03     1.999782872        0.9997656130    
FOB,PFOB,DIAG,PSTEP=   -0.1059014914E-05   -0.1059263189E-05     589.4883803        0.1796904033E-08
J1,K1,R1,R2,RAT= 109 109   -0.1321487483E-02     2.001401584        0.9986785125    
FOB,PFOB,DIAG,PSTEP=   -0.7434142039E-04   -0.7424331272E-04     13.78721270        0.5384724317E-05
J1,K1,R1,R2,RAT= 110 110     2.004406480       -0.4113031260E-02    0.9958869687    
FOB,PFOB,DIAG,PSTEP=   -0.1192245037E-03    0.1187362096E-03     12.39061060       -0.9581351118E-05
J1,K1,R1,R2,RAT= 111 111   -0.2916191753         19.45599821        0.7083808247    
FOB,PFOB,DIAG,PSTEP=   -0.1053973068E-02   -0.1022844375E-02     10.67443274        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.039397071       -0.3972394928E-01    0.9602760507    
FOB,PFOB,DIAG,PSTEP=    0.6297541557E-05   -0.6056898306E-05     9.550973061        0.6342692374E-06
J1,K1,R1,R2,RAT= 113 113   -0.7510246324         183.2079014        0.2489753676    
FOB,PFOB,DIAG,PSTEP=   -0.9041558556E-02   -0.8967733020E-02     7.601988781        0.1293079436E-04
J1,K1,R1,R2,RAT= 114 114    -393.5359931        0.9977261721        0.2273827861E-02
FOB,PFOB,DIAG,PSTEP=   -0.3757802445        0.3738796425         4.762333688        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00001      0.00000      0.00000      0.00001      0.00001      0.00001 
    -0.00001     -0.00003      0.00002     -0.00001      0.00000      0.00002 
    -0.00000     -0.00001      0.00000     -0.00001     -0.00000      0.00003 
     0.00001     -0.00003     -0.00002      0.00002      0.00005     -0.00000 
     0.00003      0.00001      0.00001      0.00001     -0.00001      0.00002 
    -0.00003     -0.00003      0.00001     -0.00000      0.00003      0.00002 
    -0.00000     -0.00004     -0.00004     -0.00003      0.00003     -0.00001 
    -0.00003      0.00002     -0.00006      0.00002     -0.00011      0.00006 
     0.00002     -0.00005     -0.00003     -0.00000     -0.00012     -0.00007 
    -0.00007     -0.00012     -0.00105      0.00001     -0.00904     -0.37578 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4387116178
 Log product of positive Hessian eigenvalues =          520.2883911061
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7623336880
 Unscaled step for mode    7=        0.0000000010
 Unscaled step for mode    8=        0.0000000028
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=       -0.0000000000
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000054
 Unscaled step for mode   17=       -0.0000000050
 Unscaled step for mode   18=       -0.0000000096
 Unscaled step for mode   19=       -0.0000000228
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000156
 Unscaled step for mode   22=       -0.0000000037
 Unscaled step for mode   23=        0.0000000040
 Unscaled step for mode   24=       -0.0000000044
 Unscaled step for mode   25=        0.0000000334
 Unscaled step for mode   26=        0.0000000555
 Unscaled step for mode   27=        0.0000000291
 Unscaled step for mode   28=        0.0000000059
 Unscaled step for mode   29=        0.0000000075
 Unscaled step for mode   30=        0.0000000508
 Unscaled step for mode   31=        0.0000000145
 Unscaled step for mode   32=        0.0000000057
 Unscaled step for mode   33=       -0.0000000223
 Unscaled step for mode   34=       -0.0000000125
 Unscaled step for mode   35=       -0.0000000661
 Unscaled step for mode   36=       -0.0000000197
 Unscaled step for mode   37=        0.0000000338
 Unscaled step for mode   38=        0.0000000144
 Unscaled step for mode   39=        0.0000000528
 Unscaled step for mode   40=       -0.0000000370
 Unscaled step for mode   41=       -0.0000000504
 Unscaled step for mode   42=        0.0000000192
 Unscaled step for mode   43=       -0.0000000182
 Unscaled step for mode   44=        0.0000000357
 Unscaled step for mode   45=       -0.0000000167
 Unscaled step for mode   46=       -0.0000000472
 Unscaled step for mode   47=        0.0000000982
 Unscaled step for mode   48=       -0.0000000020
 Unscaled step for mode   49=        0.0000000608
 Unscaled step for mode   50=        0.0000000379
 Unscaled step for mode   51=        0.0000000431
 Unscaled step for mode   52=        0.0000000000
 Unscaled step for mode   53=        0.0000000436
 Unscaled step for mode   54=       -0.0000000337
 Unscaled step for mode   55=        0.0000000879
 Unscaled step for mode   56=       -0.0000000305
 Unscaled step for mode   57=       -0.0000000204
 Unscaled step for mode   58=       -0.0000000828
 Unscaled step for mode   59=       -0.0000000446
 Unscaled step for mode   60=       -0.0000000910
 Unscaled step for mode   61=        0.0000000777
 Unscaled step for mode   62=        0.0000001918
 Unscaled step for mode   63=       -0.0000001318
 Unscaled step for mode   64=        0.0000000516
 Unscaled step for mode   65=       -0.0000000006
 Unscaled step for mode   66=       -0.0000001559
 Unscaled step for mode   67=        0.0000000147
 Unscaled step for mode   68=        0.0000000490
 Unscaled step for mode   69=       -0.0000000115
 Unscaled step for mode   70=        0.0000001081
 Unscaled step for mode   71=        0.0000000118
 Unscaled step for mode   72=       -0.0000002556
 Unscaled step for mode   73=       -0.0000001239
 Unscaled step for mode   74=        0.0000002627
 Unscaled step for mode   75=        0.0000002565
 Unscaled step for mode   76=       -0.0000002532
 Unscaled step for mode   77=       -0.0000005142
 Unscaled step for mode   78=        0.0000000380
 Unscaled step for mode   79=       -0.0000003480
 Unscaled step for mode   80=       -0.0000001502
 Unscaled step for mode   81=       -0.0000001627
 Unscaled step for mode   82=       -0.0000001822
 Unscaled step for mode   83=        0.0000001319
 Unscaled step for mode   84=       -0.0000002585
 Unscaled step for mode   85=        0.0000004223
 Unscaled step for mode   86=        0.0000005055
 Unscaled step for mode   87=       -0.0000000888
 Unscaled step for mode   88=        0.0000000235
 Unscaled step for mode   89=       -0.0000005651
 Unscaled step for mode   90=       -0.0000002793
 Unscaled step for mode   91=        0.0000000071
 Unscaled step for mode   92=        0.0000007505
 Unscaled step for mode   93=        0.0000007121
 Unscaled step for mode   94=        0.0000004854
 Unscaled step for mode   95=       -0.0000006812
 Unscaled step for mode   96=        0.0000002209
 Unscaled step for mode   97=        0.0000006384
 Unscaled step for mode   98=       -0.0000005100
 Unscaled step for mode   99=        0.0000016523
 Unscaled step for mode  100=       -0.0000006670
 Unscaled step for mode  101=        0.0000032334
 Unscaled step for mode  102=       -0.0000022298
 Unscaled step for mode  103=       -0.0000005901
 Unscaled step for mode  104=        0.0000015709
 Unscaled step for mode  105=        0.0000014069
 Unscaled step for mode  106=        0.0000000158
 Unscaled step for mode  107=        0.0000060585
 Unscaled step for mode  108=        0.0000040215
 Unscaled step for mode  109=        0.0000053921
 Unscaled step for mode  110=        0.0000096222
 Unscaled step for mode  111=        0.0000987381
 Unscaled step for mode  112=       -0.0000006594
 Unscaled step for mode  113=        0.0011893658
 Unscaled step for mode  114=       -0.0784214731
 Largest modulus ratio of non-zero e/values=           152.0357519    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.251535E-16    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.873216E-15    0.100750E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.304010E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.260642E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.102805E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.338244E-15    0.973639E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.731159E-06    0.724045E+03  0.100983E-08 0.100000E-04    0.980476E+00
   8   -0.188504E-05    0.671819E+03  0.280588E-08 0.100000E-04    0.984955E+00
   9    0.775226E-06    0.624849E+03 -0.124066E-08 0.100000E-04    0.993132E+00
  10    0.155203E-05    0.604264E+03 -0.256847E-08 0.100000E-04    0.995891E+00
  11   -0.105901E-05    0.589488E+03  0.179650E-08 0.100000E-04    0.999766E+00
  12    0.327761E-05    0.565679E+03 -0.579412E-08 0.100000E-04    0.999665E+00
  13    0.815365E-08    0.564454E+03 -0.144452E-10 0.109000E-04    0.119754E+00
  14   -0.557250E-05    0.479459E+03  0.116225E-07 0.100000E-04    0.997553E+00
  15    0.182772E-05    0.468580E+03 -0.390055E-08 0.100000E-04    0.994205E+00
  16    0.251796E-05    0.462569E+03 -0.544342E-08 0.100000E-04    0.994033E+00
  17    0.221802E-05    0.441361E+03 -0.502541E-08 0.100000E-04    0.997068E+00
  18    0.412011E-05    0.430957E+03 -0.956037E-08 0.100000E-04    0.996181E+00
  19    0.958015E-05    0.420945E+03 -0.227587E-07 0.100000E-04    0.995827E+00
  20    0.887458E-05    0.406511E+03 -0.218311E-07 0.100000E-04    0.999632E+00
  21    0.622111E-05    0.398085E+03 -0.156276E-07 0.100000E-04    0.997503E+00
  22    0.142936E-05    0.388671E+03 -0.367755E-08 0.100000E-04    0.981707E+00
  23   -0.146526E-05    0.367123E+03  0.399119E-08 0.100000E-04    0.990377E+00
  24    0.160021E-05    0.363181E+03 -0.440608E-08 0.100000E-04    0.994656E+00
  25   -0.117568E-04    0.352007E+03  0.333994E-07 0.100000E-04    0.995056E+00
  26   -0.188962E-04    0.340614E+03  0.554767E-07 0.100000E-04    0.994663E+00
  27   -0.944542E-05    0.324576E+03  0.291008E-07 0.100000E-04    0.994465E+00
  28   -0.188307E-05    0.321833E+03  0.585109E-08 0.100000E-04    0.960437E+00
  29   -0.239052E-05    0.318522E+03  0.750504E-08 0.100000E-04    0.960086E+00
  30   -0.160939E-04    0.316768E+03  0.508067E-07 0.100000E-04    0.992324E+00
  31   -0.443393E-05    0.305124E+03  0.145316E-07 0.100000E-04    0.987299E+00
  32   -0.162550E-05    0.287566E+03  0.565263E-08 0.100000E-04    0.987313E+00
  33    0.624820E-05    0.279608E+03 -0.223463E-07 0.100000E-04    0.996058E+00
  34    0.338394E-05    0.271073E+03 -0.124835E-07 0.100000E-04    0.994721E+00
  35    0.175606E-04    0.265851E+03 -0.660543E-07 0.100000E-04    0.995148E+00
  36    0.517712E-05    0.262799E+03 -0.197000E-07 0.100000E-04    0.988924E+00
  37   -0.871036E-05    0.258046E+03  0.337551E-07 0.100000E-04    0.993346E+00
  38   -0.365858E-05    0.253536E+03  0.144302E-07 0.100000E-04    0.995938E+00
  39   -0.128295E-04    0.243162E+03  0.527611E-07 0.100000E-04    0.996447E+00
  40    0.881365E-05    0.238518E+03 -0.369517E-07 0.100000E-04    0.992354E+00
  41    0.118397E-04    0.235106E+03 -0.503590E-07 0.100000E-04    0.988784E+00
  42   -0.440048E-05    0.228668E+03  0.192439E-07 0.100000E-04    0.991457E+00
  43    0.406763E-05    0.223259E+03 -0.182193E-07 0.100000E-04    0.987539E+00
  44   -0.759046E-05    0.212753E+03  0.356773E-07 0.100000E-04    0.983686E+00
  45    0.354066E-05    0.211529E+03 -0.167384E-07 0.100000E-04    0.992049E+00
  46    0.987174E-05    0.208939E+03 -0.472471E-07 0.100000E-04    0.991036E+00
  47   -0.199542E-04    0.203122E+03  0.982378E-07 0.100000E-04    0.993992E+00
  48    0.404960E-06    0.198238E+03 -0.204280E-08 0.100000E-04    0.929784E+00
  49   -0.118916E-04    0.195508E+03  0.608243E-07 0.100000E-04    0.992070E+00
  50   -0.726987E-05    0.191611E+03  0.379407E-07 0.100000E-04    0.999752E+00
  51   -0.800980E-05    0.185824E+03  0.431043E-07 0.100000E-04    0.992156E+00
  52   -0.431630E-08    0.177068E+03  0.243765E-10 0.100000E-04    0.447722E+00
  53   -0.745303E-05    0.170955E+03  0.435966E-07 0.100000E-04    0.995058E+00
  54    0.566004E-05    0.167921E+03 -0.337065E-07 0.100000E-04    0.988173E+00
  55   -0.145574E-04    0.165644E+03  0.878834E-07 0.100000E-04    0.995427E+00
  56    0.489398E-05    0.160264E+03 -0.305369E-07 0.100000E-04    0.999329E+00
  57    0.313700E-05    0.153496E+03 -0.204370E-07 0.100000E-04    0.989837E+00
  58    0.125027E-04    0.150978E+03 -0.828119E-07 0.100000E-04    0.994347E+00
  59    0.664056E-05    0.149027E+03 -0.445594E-07 0.100000E-04    0.997094E+00
  60    0.129989E-04    0.142850E+03 -0.909973E-07 0.100000E-04    0.993128E+00
  61   -0.106346E-04    0.136941E+03  0.776579E-07 0.100000E-04    0.994618E+00
  62   -0.259058E-04    0.135090E+03  0.191766E-06 0.100000E-04    0.997189E+00
  63    0.172551E-04    0.130923E+03 -0.131796E-06 0.100000E-04    0.997680E+00
  64   -0.658184E-05    0.127661E+03  0.515574E-07 0.100000E-04    0.986835E+00
  65    0.805954E-07    0.125967E+03 -0.639812E-09 0.100000E-04    0.761631E+00
  66    0.195013E-04    0.125079E+03 -0.155912E-06 0.100000E-04    0.996607E+00
  67   -0.175679E-05    0.119479E+03  0.147037E-07 0.100000E-04    0.982127E+00
  68   -0.577871E-05    0.117952E+03  0.489919E-07 0.100000E-04    0.995209E+00
  69    0.134086E-05    0.116661E+03 -0.114937E-07 0.100000E-04    0.987156E+00
  70   -0.121170E-04    0.112075E+03  0.108115E-06 0.100000E-04    0.990645E+00
  71   -0.129325E-05    0.109471E+03  0.118136E-07 0.100000E-04    0.983214E+00
  72    0.269050E-04    0.105276E+03 -0.255567E-06 0.100000E-04    0.995103E+00
  73    0.127444E-04    0.102884E+03 -0.123872E-06 0.100000E-04    0.991382E+00
  74   -0.263140E-04    0.100185E+03  0.262655E-06 0.100000E-04    0.998007E+00
  75   -0.248867E-04    0.970135E+02  0.256529E-06 0.100000E-04    0.990581E+00
  76    0.240842E-04    0.951057E+02 -0.253236E-06 0.100000E-04    0.995222E+00
  77    0.468701E-04    0.911576E+02 -0.514165E-06 0.100000E-04    0.993826E+00
  78   -0.345196E-05    0.908454E+02  0.379981E-07 0.100000E-04    0.964379E+00
  79    0.309841E-04    0.890394E+02 -0.347981E-06 0.100000E-04    0.996721E+00
  80    0.127042E-04    0.845907E+02 -0.150185E-06 0.100000E-04    0.992901E+00
  81    0.131607E-04    0.808936E+02 -0.162692E-06 0.100000E-04    0.995955E+00
  82    0.144625E-04    0.793625E+02 -0.182234E-06 0.100000E-04    0.995403E+00
  83   -0.103608E-04    0.785454E+02  0.131908E-06 0.100000E-04    0.992235E+00
  84    0.188284E-04    0.728251E+02 -0.258543E-06 0.100000E-04    0.995073E+00
  85   -0.302285E-04    0.715812E+02  0.422297E-06 0.100000E-04    0.997129E+00
  86   -0.347266E-04    0.686972E+02  0.505503E-06 0.100000E-04    0.999309E+00
  87    0.602684E-05    0.678630E+02 -0.888090E-07 0.100000E-04    0.942012E+00
  88   -0.148781E-05    0.634074E+02  0.234642E-07 0.100000E-04    0.980961E+00
  89    0.348395E-04    0.616503E+02 -0.565115E-06 0.100000E-04    0.995804E+00
  90    0.166597E-04    0.596521E+02 -0.279280E-06 0.100000E-04    0.998407E+00
  91   -0.418301E-06    0.588017E+02  0.711376E-08 0.100000E-04    0.983573E+00
  92   -0.419326E-04    0.558704E+02  0.750534E-06 0.100000E-04    0.994253E+00
  93   -0.380320E-04    0.534119E+02  0.712051E-06 0.100000E-04    0.999615E+00
  94   -0.253542E-04    0.522338E+02  0.485399E-06 0.100000E-04    0.995845E+00
  95    0.342501E-04    0.502763E+02 -0.681238E-06 0.100000E-04    0.998955E+00
  96   -0.105899E-04    0.479465E+02  0.220869E-06 0.100000E-04    0.994942E+00
  97   -0.276504E-04    0.433091E+02  0.638443E-06 0.100000E-04    0.997435E+00
  98    0.204116E-04    0.400212E+02 -0.510018E-06 0.100000E-04    0.994698E+00
  99   -0.612118E-04    0.370457E+02  0.165233E-05 0.100000E-04    0.992617E+00
 100    0.240768E-04    0.360960E+02 -0.667020E-06 0.100000E-04    0.987472E+00
 101   -0.114217E-03    0.353238E+02  0.323343E-05 0.100000E-04    0.998398E+00
 102    0.645903E-04    0.289671E+02 -0.222978E-05 0.100000E-04    0.997730E+00
 103    0.169979E-04    0.288028E+02 -0.590147E-06 0.100000E-04    0.970332E+00
 104   -0.450988E-04    0.287084E+02  0.157093E-05 0.100000E-04    0.996374E+00
 105   -0.324818E-04    0.230872E+02  0.140692E-05 0.100000E-04    0.994130E+00
 106   -0.346615E-06    0.219356E+02  0.158015E-07 0.100000E-04    0.556081E+00
 107   -0.119459E-03    0.197177E+02  0.605846E-05 0.100000E-04    0.998376E+00
 108   -0.674821E-04    0.167805E+02  0.402147E-05 0.100000E-04    0.995611E+00
 109   -0.743414E-04    0.137872E+02  0.539206E-05 0.100000E-04    0.998679E+00
 110   -0.119225E-03    0.123906E+02  0.962217E-05 0.100000E-04    0.995887E+00
 111   -0.105397E-02    0.106744E+02  0.100000E-04 0.100000E-04    0.708381E+00
 112    0.629754E-05    0.955097E+01 -0.659361E-06 0.100000E-04    0.960276E+00
 113   -0.904156E-02    0.760199E+01  0.116494E-04 0.116494E-04    0.248975E+00
 114   -0.375780E+00    0.476233E+01 -0.400000E-03 0.400000E-03    0.227383E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7842147311E-01

 Beginning of optimization cycle  177.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3881556359
 potential> RMS force:                                               0.0353834646   |gradient|=.3777920203    
 Eigenvalues of the Hessian matrix:
   724.10524    671.83301    624.86594    604.27136    589.48334    565.70217 
   564.48823    479.47840    468.55696    462.55875    441.36010    430.94769 
   420.95201    406.52205    398.08107    388.67402    367.12611    363.17127 
   351.99843    340.57765    324.58238    321.82618    318.53390    316.74642 
   305.11975    287.57067    279.60343    271.06804    265.85387    262.80839 
   258.05258    253.53848    243.15268    238.50463    235.11772    228.66964 
   223.23985    212.75624    211.53415    208.92583    203.12503    198.23424 
   195.50907    191.61118    185.81468    177.05409    170.95931    167.91761 
   165.64269    160.25863    153.49538    150.97657    149.03125    142.85288 
   136.94187    135.09585    130.92108    127.66070    125.96994    125.08486 
   119.48007    117.95267    116.66408    112.06739    109.46058    105.27210 
   102.88515    100.18073     97.00876     95.10639     91.16645     90.83975 
    89.05009     84.59266     80.89390     79.36599     78.54328     72.82308 
    71.58463     68.68842     67.86370     63.40683     61.64113     59.65214 
    58.80437     55.87149     53.40803     52.23341     50.27544     47.94523 
    43.30496     40.02371     37.04324     36.09119     35.33113     28.96401 
    28.79861     28.70571     23.08355     21.93534     19.72088     16.78155 
    13.78667     12.38880     10.66212      9.55252      7.60147      4.76059 
overlap for current and previous eigenvector    109 is        -0.9999986107
overlap for current and previous eigenvector    110 is         0.9999981299
overlap for current and previous eigenvector    111 is        -0.9999942647
overlap for current and previous eigenvector    112 is         0.9999973997
overlap for current and previous eigenvector    113 is        -0.9999986945
overlap for current and previous eigenvector    114 is         0.9999995370
J1,K1,R1,R2,RAT=   7   7   -0.2311170453E-01     2.022945271        0.9768882955    
FOB,PFOB,DIAG,PSTEP=   -0.7480589337E-06   -0.7311591921E-06     724.1052407        0.1009825645E-08
J1,K1,R1,R2,RAT=   8   8   -0.1617693744E-02     2.001575510        0.9983823063    
FOB,PFOB,DIAG,PSTEP=   -0.1888094085E-05   -0.1885044596E-05     671.8330142        0.2805882289E-08
J1,K1,R1,R2,RAT=   9   9    0.7971154248E-02     1.991975789        0.9919757885    
FOB,PFOB,DIAG,PSTEP=    0.7690462674E-06    0.7752258764E-06     624.8659354       -0.1240660434E-08
J1,K1,R1,R2,RAT=  10  10   -0.7897273290E-02     2.007872874        0.9921027267    
FOB,PFOB,DIAG,PSTEP=    0.1564291420E-05    0.1552034430E-05     604.2713605       -0.2568470833E-08
J1,K1,R1,R2,RAT=  11  11   -0.3839790183E-02     2.003856874        0.9961602098    
FOB,PFOB,DIAG,PSTEP=   -0.1063081274E-05   -0.1059014914E-05     589.4833450        0.1796498369E-08
J1,K1,R1,R2,RAT= 109 109     2.000597973       -0.5197913483E-03    0.9994802087    
FOB,PFOB,DIAG,PSTEP=    0.7438006091E-04   -0.7434142039E-04     13.78667377        0.5392055812E-05
J1,K1,R1,R2,RAT= 110 110   -0.1087680371E-01     2.011168432        0.9891231963    
FOB,PFOB,DIAG,PSTEP=   -0.1205210962E-03   -0.1192245037E-03     12.38880414        0.9622165329E-05
J1,K1,R1,R2,RAT= 111 111     20.06036125       -0.2899300026        0.7100699974    
FOB,PFOB,DIAG,PSTEP=    0.1084885738E-02   -0.1053973068E-02     10.66211510        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.5824528552E-01     1.941431318        0.9414313178    
FOB,PFOB,DIAG,PSTEP=    0.5930680130E-05    0.6297541557E-05     9.552517688       -0.6593612522E-06
J1,K1,R1,R2,RAT= 113 113     205.1503412       -0.9420986179        0.5790138211E-01
FOB,PFOB,DIAG,PSTEP=    0.9124983591E-02   -0.9041558556E-02     7.601473760        0.1164936429E-04
J1,K1,R1,R2,RAT= 114 114    0.9977160624        -395.6758929        0.2283937621E-02
FOB,PFOB,DIAG,PSTEP=   -0.3776801316       -0.3757802445         4.760590610       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00001      0.00000     -0.00000      0.00001     -0.00001     -0.00001 
     0.00001     -0.00003      0.00002     -0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00001     -0.00000      0.00003 
     0.00001     -0.00003     -0.00003      0.00002      0.00005      0.00000 
     0.00003      0.00001      0.00001      0.00001      0.00001     -0.00002 
    -0.00003      0.00003      0.00001     -0.00000     -0.00004      0.00002 
     0.00000      0.00004      0.00004     -0.00003      0.00003      0.00001 
     0.00003      0.00002     -0.00006     -0.00002      0.00011      0.00006 
    -0.00002      0.00005      0.00003      0.00000     -0.00012     -0.00007 
     0.00007     -0.00012      0.00108      0.00001      0.00912     -0.37768 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386994471
 Log product of positive Hessian eigenvalues =          520.2860383015
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7605906095
 Unscaled step for mode    7=        0.0000000010
 Unscaled step for mode    8=        0.0000000028
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=        0.0000000000
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000055
 Unscaled step for mode   17=       -0.0000000051
 Unscaled step for mode   18=       -0.0000000096
 Unscaled step for mode   19=       -0.0000000229
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000157
 Unscaled step for mode   22=       -0.0000000038
 Unscaled step for mode   23=        0.0000000040
 Unscaled step for mode   24=       -0.0000000044
 Unscaled step for mode   25=        0.0000000336
 Unscaled step for mode   26=        0.0000000558
 Unscaled step for mode   27=        0.0000000292
 Unscaled step for mode   28=        0.0000000056
 Unscaled step for mode   29=        0.0000000071
 Unscaled step for mode   30=        0.0000000511
 Unscaled step for mode   31=        0.0000000146
 Unscaled step for mode   32=        0.0000000057
 Unscaled step for mode   33=       -0.0000000225
 Unscaled step for mode   34=       -0.0000000126
 Unscaled step for mode   35=       -0.0000000663
 Unscaled step for mode   36=       -0.0000000199
 Unscaled step for mode   37=        0.0000000340
 Unscaled step for mode   38=        0.0000000144
 Unscaled step for mode   39=        0.0000000530
 Unscaled step for mode   40=       -0.0000000372
 Unscaled step for mode   41=       -0.0000000509
 Unscaled step for mode   42=        0.0000000194
 Unscaled step for mode   43=       -0.0000000184
 Unscaled step for mode   44=        0.0000000359
 Unscaled step for mode   45=       -0.0000000168
 Unscaled step for mode   46=       -0.0000000475
 Unscaled step for mode   47=        0.0000000986
 Unscaled step for mode   48=       -0.0000000022
 Unscaled step for mode   49=        0.0000000611
 Unscaled step for mode   50=        0.0000000383
 Unscaled step for mode   51=        0.0000000433
 Unscaled step for mode   52=        0.0000000000
 Unscaled step for mode   53=        0.0000000438
 Unscaled step for mode   54=        0.0000000340
 Unscaled step for mode   55=       -0.0000000882
 Unscaled step for mode   56=       -0.0000000307
 Unscaled step for mode   57=        0.0000000206
 Unscaled step for mode   58=       -0.0000000834
 Unscaled step for mode   59=        0.0000000444
 Unscaled step for mode   60=        0.0000000913
 Unscaled step for mode   61=       -0.0000000783
 Unscaled step for mode   62=        0.0000001925
 Unscaled step for mode   63=       -0.0000001326
 Unscaled step for mode   64=        0.0000000521
 Unscaled step for mode   65=       -0.0000000007
 Unscaled step for mode   66=        0.0000001568
 Unscaled step for mode   67=       -0.0000000147
 Unscaled step for mode   68=       -0.0000000493
 Unscaled step for mode   69=        0.0000000118
 Unscaled step for mode   70=       -0.0000001087
 Unscaled step for mode   71=        0.0000000121
 Unscaled step for mode   72=       -0.0000002575
 Unscaled step for mode   73=       -0.0000001248
 Unscaled step for mode   74=        0.0000002637
 Unscaled step for mode   75=        0.0000002586
 Unscaled step for mode   76=       -0.0000002543
 Unscaled step for mode   77=       -0.0000005165
 Unscaled step for mode   78=       -0.0000000370
 Unscaled step for mode   79=       -0.0000003476
 Unscaled step for mode   80=       -0.0000001510
 Unscaled step for mode   81=       -0.0000001635
 Unscaled step for mode   82=       -0.0000001820
 Unscaled step for mode   83=       -0.0000001320
 Unscaled step for mode   84=        0.0000002608
 Unscaled step for mode   85=        0.0000004249
 Unscaled step for mode   86=       -0.0000005063
 Unscaled step for mode   87=       -0.0000000932
 Unscaled step for mode   88=        0.0000000240
 Unscaled step for mode   89=        0.0000005683
 Unscaled step for mode   90=       -0.0000002817
 Unscaled step for mode   91=       -0.0000000074
 Unscaled step for mode   92=       -0.0000007538
 Unscaled step for mode   93=       -0.0000007140
 Unscaled step for mode   94=        0.0000004893
 Unscaled step for mode   95=       -0.0000006822
 Unscaled step for mode   96=       -0.0000002205
 Unscaled step for mode   97=       -0.0000006429
 Unscaled step for mode   98=       -0.0000005130
 Unscaled step for mode   99=        0.0000016727
 Unscaled step for mode  100=        0.0000006577
 Unscaled step for mode  101=       -0.0000032400
 Unscaled step for mode  102=       -0.0000022433
 Unscaled step for mode  103=        0.0000006102
 Unscaled step for mode  104=       -0.0000015745
 Unscaled step for mode  105=       -0.0000014162
 Unscaled step for mode  106=       -0.0000000305
 Unscaled step for mode  107=        0.0000060780
 Unscaled step for mode  108=        0.0000039872
 Unscaled step for mode  109=       -0.0000053951
 Unscaled step for mode  110=        0.0000097282
 Unscaled step for mode  111=       -0.0001017515
 Unscaled step for mode  112=       -0.0000006208
 Unscaled step for mode  113=       -0.0012004212
 Unscaled step for mode  114=       -0.0788415776
 Largest modulus ratio of non-zero e/values=           152.1040770    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.444523E-16    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.601082E-15    0.100750E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.530825E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.756339E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.549721E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.229715E-15    0.973641E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.748059E-06    0.724105E+03  0.103308E-08 0.100000E-04    0.976888E+00
   8   -0.188809E-05    0.671833E+03  0.281036E-08 0.100000E-04    0.998382E+00
   9    0.769046E-06    0.624866E+03 -0.123074E-08 0.100000E-04    0.991976E+00
  10    0.156429E-05    0.604271E+03 -0.258872E-08 0.100000E-04    0.992103E+00
  11   -0.106308E-05    0.589483E+03  0.180341E-08 0.100000E-04    0.996160E+00
  12    0.327225E-05    0.565702E+03 -0.578441E-08 0.100000E-04    0.998282E+00
  13   -0.246563E-07    0.564488E+03  0.436791E-10 0.100000E-04    0.102384E+01
  14   -0.557044E-05    0.479478E+03  0.116177E-07 0.100000E-04    0.999549E+00
  15    0.181849E-05    0.468557E+03 -0.388105E-08 0.100000E-04    0.994954E+00
  16    0.254509E-05    0.462559E+03 -0.550221E-08 0.100000E-04    0.989222E+00
  17    0.224695E-05    0.441360E+03 -0.509097E-08 0.100000E-04    0.986958E+00
  18    0.412814E-05    0.430948E+03 -0.957921E-08 0.100000E-04    0.998051E+00
  19    0.963106E-05    0.420952E+03 -0.228792E-07 0.100000E-04    0.994687E+00
  20    0.889295E-05    0.406522E+03 -0.218757E-07 0.100000E-04    0.997930E+00
  21    0.624729E-05    0.398081E+03 -0.156935E-07 0.100000E-04    0.995792E+00
  22    0.146208E-05    0.388674E+03 -0.376172E-08 0.100000E-04    0.977103E+00
  23   -0.146183E-05    0.367126E+03  0.398183E-08 0.100000E-04    0.997647E+00
  24    0.158989E-05    0.363171E+03 -0.437780E-08 0.100000E-04    0.993554E+00
  25   -0.118120E-04    0.351998E+03  0.335569E-07 0.100000E-04    0.995307E+00
  26   -0.190033E-04    0.340578E+03  0.557971E-07 0.100000E-04    0.994333E+00
  27   -0.948743E-05    0.324582E+03  0.292297E-07 0.100000E-04    0.995552E+00
  28   -0.179938E-05    0.321826E+03  0.559116E-08 0.100000E-04    0.955554E+00
  29   -0.226801E-05    0.318534E+03  0.712015E-08 0.100000E-04    0.948678E+00
  30   -0.161889E-04    0.316746E+03  0.511101E-07 0.100000E-04    0.994097E+00
  31   -0.446436E-05    0.305120E+03  0.146315E-07 0.100000E-04    0.993137E+00
  32   -0.165329E-05    0.287571E+03  0.574915E-08 0.100000E-04    0.982909E+00
  33    0.629125E-05    0.279603E+03 -0.225006E-07 0.100000E-04    0.993111E+00
  34    0.342354E-05    0.271068E+03 -0.126298E-07 0.100000E-04    0.988300E+00
  35    0.176164E-04    0.265854E+03 -0.662636E-07 0.100000E-04    0.996820E+00
  36    0.523794E-05    0.262808E+03 -0.199307E-07 0.100000E-04    0.988252E+00
  37   -0.876484E-05    0.258053E+03  0.339653E-07 0.100000E-04    0.993745E+00
  38   -0.365732E-05    0.253538E+03  0.144251E-07 0.100000E-04    0.999638E+00
  39   -0.128880E-04    0.243153E+03  0.530036E-07 0.100000E-04    0.995441E+00
  40    0.886156E-05    0.238505E+03 -0.371546E-07 0.100000E-04    0.994564E+00
  41    0.119679E-04    0.235118E+03 -0.509015E-07 0.100000E-04    0.989178E+00
  42   -0.442771E-05    0.228670E+03  0.193629E-07 0.100000E-04    0.993812E+00
  43    0.409671E-05    0.223240E+03 -0.183512E-07 0.100000E-04    0.992849E+00
  44   -0.764574E-05    0.212756E+03  0.359366E-07 0.100000E-04    0.992718E+00
  45    0.354779E-05    0.211534E+03 -0.167717E-07 0.100000E-04    0.997985E+00
  46    0.992757E-05    0.208926E+03 -0.475172E-07 0.100000E-04    0.994344E+00
  47   -0.200335E-04    0.203125E+03  0.986267E-07 0.100000E-04    0.996025E+00
  48    0.426727E-06    0.198234E+03 -0.215264E-08 0.100000E-04    0.946248E+00
  49   -0.119522E-04    0.195509E+03  0.611339E-07 0.100000E-04    0.994906E+00
  50   -0.733208E-05    0.191611E+03  0.382654E-07 0.100000E-04    0.991443E+00
  51   -0.804178E-05    0.185815E+03  0.432785E-07 0.100000E-04    0.996007E+00
  52   -0.862546E-08    0.177054E+03  0.487165E-10 0.109000E-04    0.157287E-02
  53   -0.748039E-05    0.170959E+03  0.437554E-07 0.100000E-04    0.996329E+00
  54   -0.570121E-05    0.167918E+03  0.339524E-07 0.100000E-04    0.992726E+00
  55    0.146078E-04    0.165643E+03 -0.881886E-07 0.100000E-04    0.996538E+00
  56    0.492066E-05    0.160259E+03 -0.307045E-07 0.100000E-04    0.994550E+00
  57   -0.316385E-05    0.153495E+03  0.206120E-07 0.100000E-04    0.991439E+00
  58    0.125875E-04    0.150977E+03 -0.833739E-07 0.100000E-04    0.993220E+00
  59   -0.662022E-05    0.149031E+03  0.444217E-07 0.100000E-04    0.996882E+00
  60   -0.130397E-04    0.142853E+03  0.912804E-07 0.100000E-04    0.996866E+00
  61    0.107292E-04    0.136942E+03 -0.783487E-07 0.100000E-04    0.991102E+00
  62   -0.260065E-04    0.135096E+03  0.192504E-06 0.100000E-04    0.996113E+00
  63    0.173546E-04    0.130921E+03 -0.132558E-06 0.100000E-04    0.994232E+00
  64   -0.665516E-05    0.127661E+03  0.521316E-07 0.100000E-04    0.988861E+00
  65    0.830542E-07    0.125970E+03 -0.659318E-09 0.100000E-04    0.969493E+00
  66   -0.196071E-04    0.125085E+03  0.156751E-06 0.100000E-04    0.994574E+00
  67    0.175070E-05    0.119480E+03 -0.146527E-07 0.100000E-04    0.996518E+00
  68    0.581570E-05    0.117953E+03 -0.493053E-07 0.100000E-04    0.993600E+00
  69   -0.137917E-05    0.116664E+03  0.118217E-07 0.100000E-04    0.971434E+00
  70    0.121763E-04    0.112067E+03 -0.108652E-06 0.100000E-04    0.995101E+00
  71   -0.131914E-05    0.109461E+03  0.120513E-07 0.100000E-04    0.979974E+00
  72    0.271109E-04    0.105272E+03 -0.257532E-06 0.100000E-04    0.992347E+00
  73    0.128430E-04    0.102885E+03 -0.124828E-06 0.100000E-04    0.992265E+00
  74   -0.264224E-04    0.100181E+03  0.263747E-06 0.100000E-04    0.995883E+00
  75   -0.250839E-04    0.970088E+02  0.258573E-06 0.100000E-04    0.992079E+00
  76    0.241819E-04    0.951064E+02 -0.254262E-06 0.100000E-04    0.995943E+00
  77    0.470848E-04    0.911664E+02 -0.516471E-06 0.100000E-04    0.995419E+00
  78    0.336558E-05    0.908398E+02 -0.370496E-07 0.100000E-04    0.974975E+00
  79    0.309538E-04    0.890501E+02 -0.347599E-06 0.100000E-04    0.998783E+00
  80    0.127747E-04    0.845927E+02 -0.151014E-06 0.100000E-04    0.994457E+00
  81    0.132294E-04    0.808939E+02 -0.163540E-06 0.100000E-04    0.994779E+00
  82    0.144460E-04    0.793660E+02 -0.182017E-06 0.100000E-04    0.998768E+00
  83    0.103696E-04    0.785433E+02 -0.132024E-06 0.100000E-04    0.999149E+00
  84   -0.189939E-04    0.728231E+02  0.260823E-06 0.100000E-04    0.991211E+00
  85   -0.304188E-04    0.715846E+02  0.424935E-06 0.100000E-04    0.993706E+00
  86    0.347749E-04    0.686884E+02 -0.506271E-06 0.100000E-04    0.998609E+00
  87    0.632437E-05    0.678637E+02 -0.931922E-07 0.100000E-04    0.950633E+00
  88   -0.152338E-05    0.634068E+02  0.240256E-07 0.100000E-04    0.976087E+00
  89   -0.350286E-04    0.616411E+02  0.568267E-06 0.100000E-04    0.994571E+00
  90    0.168063E-04    0.596521E+02 -0.281738E-06 0.100000E-04    0.991200E+00
  91    0.437782E-06    0.588044E+02 -0.744473E-08 0.100000E-04    0.953430E+00
  92    0.421161E-04    0.558715E+02 -0.753803E-06 0.100000E-04    0.995625E+00
  93    0.381308E-04    0.534080E+02 -0.713953E-06 0.100000E-04    0.997402E+00
  94   -0.255555E-04    0.522334E+02  0.489257E-06 0.100000E-04    0.992060E+00
  95    0.342994E-04    0.502754E+02 -0.682230E-06 0.100000E-04    0.998561E+00
  96    0.105737E-04    0.479452E+02 -0.220536E-06 0.100000E-04    0.998465E+00
  97    0.278423E-04    0.433050E+02 -0.642935E-06 0.100000E-04    0.993061E+00
  98    0.205331E-04    0.400237E+02 -0.513023E-06 0.100000E-04    0.994046E+00
  99   -0.619620E-04    0.370432E+02  0.167269E-05 0.100000E-04    0.987743E+00
 100   -0.237389E-04    0.360912E+02  0.657749E-06 0.100000E-04    0.985967E+00
 101    0.114473E-03    0.353311E+02 -0.324002E-05 0.100000E-04    0.997755E+00
 102    0.649750E-04    0.289640E+02 -0.224330E-05 0.100000E-04    0.994043E+00
 103   -0.175716E-04    0.287986E+02  0.610156E-06 0.100000E-04    0.966240E+00
 104    0.451975E-04    0.287057E+02 -0.157451E-05 0.100000E-04    0.997811E+00
 105    0.326907E-04    0.230836E+02 -0.141619E-05 0.100000E-04    0.993570E+00
 106    0.669764E-06    0.219353E+02 -0.305336E-07 0.109000E-04    0.676869E-01
 107   -0.119863E-03    0.197209E+02  0.607799E-05 0.100000E-04    0.996613E+00
 108   -0.669121E-04    0.167816E+02  0.398724E-05 0.100000E-04    0.991422E+00
 109    0.743801E-04    0.137867E+02 -0.539507E-05 0.100000E-04    0.999480E+00
 110   -0.120521E-03    0.123888E+02  0.972823E-05 0.100000E-04    0.989123E+00
 111    0.108489E-02    0.106621E+02 -0.100000E-04 0.100000E-04    0.710070E+00
 112    0.593068E-05    0.955252E+01 -0.620850E-06 0.100000E-04    0.941431E+00
 113    0.912498E-02    0.760147E+01 -0.126978E-04 0.126978E-04    0.579014E-01
 114   -0.377680E+00    0.476059E+01 -0.400000E-03 0.400000E-03    0.228394E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7884157761E-01

 Beginning of optimization cycle  178.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3880043105
 potential> RMS force:                                               0.0355614638   |gradient|=.3796925321    
 Eigenvalues of the Hessian matrix:
   724.16546    671.84705    624.88241    604.27873    589.47816    565.72606 
   564.52219    479.49791    468.53409    462.54896    441.35890    430.93835 
   420.95942    406.53283    398.07705    388.67702    367.12936    363.16132 
   351.99031    340.54102    324.58883    321.81938    318.54625    316.72470 
   305.11549    287.57511    279.59843    271.06290    265.85692    262.81833 
   258.05948    253.54091    243.14376    238.49146    235.12912    228.67109 
   223.22052    212.75963    211.53911    208.91288    203.12827    198.23026 
   195.50987    191.61107    185.80552    177.03996    170.96408    167.91394 
   165.64103    160.25278    153.49498    150.97566    149.03521    142.85614 
   136.94226    135.10127    130.91962    127.66094    125.97247    125.09067 
   119.48126    117.95306    116.66716    112.06001    109.44995    105.26843 
   102.88645    100.17683     97.00398     95.10702     91.17532     90.83409 
    89.06070     84.59466     80.89418     79.36948     78.54120     72.82102 
    71.58808     68.67962     67.86427     63.40624     61.63186     59.65213 
    58.80704     55.87260     53.40414     52.23301     50.27456     47.94394 
    43.30078     40.02619     37.04086     36.08619     35.33839     28.96104 
    28.79462     28.70269     23.07999     21.93500     19.72410     16.78263 
    13.78614     12.38702     10.64978      9.55406      7.60093      4.75882 
overlap for current and previous eigenvector    109 is         0.9999986255
overlap for current and previous eigenvector    110 is         0.9999981680
overlap for current and previous eigenvector    111 is         0.9999941906
overlap for current and previous eigenvector    112 is         0.9999972738
overlap for current and previous eigenvector    113 is         0.9999986785
overlap for current and previous eigenvector    114 is         0.9999995395
J1,K1,R1,R2,RAT=   7   7   -0.1906094896E-01     2.018894623        0.9809390510    
FOB,PFOB,DIAG,PSTEP=   -0.7623188327E-06   -0.7480589337E-06     724.1654645        0.1033080403E-08
J1,K1,R1,R2,RAT=   8   8   -0.1474215320E-01     2.014700369        0.9852578468    
FOB,PFOB,DIAG,PSTEP=   -0.1915929239E-05   -0.1888094085E-05     671.8470506        0.2810362166E-08
J1,K1,R1,R2,RAT=   9   9   -0.6549200317E-02     2.006496470        0.9934507997    
FOB,PFOB,DIAG,PSTEP=    0.7740830382E-06    0.7690462674E-06     624.8824106       -0.1230738025E-08
J1,K1,R1,R2,RAT=  10  10    0.4038367459E-02     1.995937235        0.9959372350    
FOB,PFOB,DIAG,PSTEP=    0.1557974159E-05    0.1564291420E-05     604.2787319       -0.2588723414E-08
J1,K1,R1,R2,RAT=  11  11    0.1995752867E-03     1.999818017        0.9998004247    
FOB,PFOB,DIAG,PSTEP=   -0.1062869111E-05   -0.1063081274E-05     589.4781599        0.1803411891E-08
J1,K1,R1,R2,RAT= 109 109   -0.1278475596E-02     2.001355478        0.9987215244    
FOB,PFOB,DIAG,PSTEP=    0.7447515034E-04    0.7438006091E-04     13.78614299       -0.5395069337E-05
J1,K1,R1,R2,RAT= 110 110   -0.3997488018E-02     2.004285092        0.9960025120    
FOB,PFOB,DIAG,PSTEP=   -0.1210028086E-03   -0.1205210962E-03     12.38702286        0.9728226779E-05
J1,K1,R1,R2,RAT= 111 111   -0.2995205753         20.67337756        0.7004794247    
FOB,PFOB,DIAG,PSTEP=    0.1116784029E-02    0.1084885738E-02     10.64978261       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4554234016E-01     2.045220228        0.9544576598    
FOB,PFOB,DIAG,PSTEP=    0.6200820690E-05    0.5930680130E-05     9.554056425       -0.6208499501E-06
J1,K1,R1,R2,RAT= 113 113   -0.7800980831         189.8693784        0.2199019169    
FOB,PFOB,DIAG,PSTEP=    0.9200274820E-02    0.9124983591E-02     7.600925127       -0.1269780708E-04
J1,K1,R1,R2,RAT= 114 114    0.9977068093        -397.8191782        0.2293190698E-02
FOB,PFOB,DIAG,PSTEP=   -0.3795792931       -0.3776801316         4.758816732       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00001      0.00000      0.00000      0.00001     -0.00001     -0.00001 
     0.00001     -0.00003      0.00002     -0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00001      0.00000     -0.00003 
     0.00001     -0.00003     -0.00003      0.00002     -0.00005      0.00000 
     0.00003      0.00001      0.00001      0.00001      0.00001     -0.00002 
     0.00003     -0.00003     -0.00001      0.00000      0.00004      0.00002 
    -0.00000     -0.00004      0.00004      0.00003     -0.00003     -0.00001 
     0.00003     -0.00002     -0.00006     -0.00002      0.00011      0.00007 
    -0.00002      0.00004     -0.00003     -0.00000     -0.00012      0.00007 
     0.00007     -0.00012      0.00112      0.00001      0.00920     -0.37958 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386888286
 Log product of positive Hessian eigenvalues =          520.2836657053
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7588167323
 Unscaled step for mode    7=        0.0000000011
 Unscaled step for mode    8=        0.0000000029
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=        0.0000000002
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000055
 Unscaled step for mode   17=       -0.0000000051
 Unscaled step for mode   18=       -0.0000000096
 Unscaled step for mode   19=       -0.0000000230
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000157
 Unscaled step for mode   22=       -0.0000000038
 Unscaled step for mode   23=        0.0000000039
 Unscaled step for mode   24=       -0.0000000044
 Unscaled step for mode   25=        0.0000000337
 Unscaled step for mode   26=        0.0000000561
 Unscaled step for mode   27=        0.0000000294
 Unscaled step for mode   28=        0.0000000053
 Unscaled step for mode   29=        0.0000000068
 Unscaled step for mode   30=        0.0000000515
 Unscaled step for mode   31=        0.0000000148
 Unscaled step for mode   32=        0.0000000058
 Unscaled step for mode   33=       -0.0000000226
 Unscaled step for mode   34=       -0.0000000127
 Unscaled step for mode   35=       -0.0000000666
 Unscaled step for mode   36=       -0.0000000201
 Unscaled step for mode   37=        0.0000000342
 Unscaled step for mode   38=        0.0000000145
 Unscaled step for mode   39=        0.0000000532
 Unscaled step for mode   40=       -0.0000000374
 Unscaled step for mode   41=       -0.0000000515
 Unscaled step for mode   42=        0.0000000195
 Unscaled step for mode   43=       -0.0000000186
 Unscaled step for mode   44=        0.0000000365
 Unscaled step for mode   45=       -0.0000000166
 Unscaled step for mode   46=       -0.0000000479
 Unscaled step for mode   47=        0.0000000992
 Unscaled step for mode   48=       -0.0000000023
 Unscaled step for mode   49=        0.0000000616
 Unscaled step for mode   50=        0.0000000383
 Unscaled step for mode   51=        0.0000000436
 Unscaled step for mode   52=        0.0000000001
 Unscaled step for mode   53=        0.0000000440
 Unscaled step for mode   54=        0.0000000343
 Unscaled step for mode   55=       -0.0000000886
 Unscaled step for mode   56=       -0.0000000307
 Unscaled step for mode   57=       -0.0000000208
 Unscaled step for mode   58=       -0.0000000838
 Unscaled step for mode   59=        0.0000000445
 Unscaled step for mode   60=        0.0000000919
 Unscaled step for mode   61=       -0.0000000788
 Unscaled step for mode   62=        0.0000001930
 Unscaled step for mode   63=       -0.0000001329
 Unscaled step for mode   64=        0.0000000528
 Unscaled step for mode   65=       -0.0000000005
 Unscaled step for mode   66=        0.0000001573
 Unscaled step for mode   67=       -0.0000000149
 Unscaled step for mode   68=        0.0000000495
 Unscaled step for mode   69=       -0.0000000120
 Unscaled step for mode   70=        0.0000001097
 Unscaled step for mode   71=       -0.0000000123
 Unscaled step for mode   72=        0.0000002588
 Unscaled step for mode   73=       -0.0000001259
 Unscaled step for mode   74=        0.0000002643
 Unscaled step for mode   75=        0.0000002610
 Unscaled step for mode   76=       -0.0000002554
 Unscaled step for mode   77=        0.0000005195
 Unscaled step for mode   78=       -0.0000000359
 Unscaled step for mode   79=       -0.0000003464
 Unscaled step for mode   80=       -0.0000001521
 Unscaled step for mode   81=       -0.0000001642
 Unscaled step for mode   82=       -0.0000001812
 Unscaled step for mode   83=       -0.0000001330
 Unscaled step for mode   84=        0.0000002621
 Unscaled step for mode   85=       -0.0000004261
 Unscaled step for mode   86=        0.0000005065
 Unscaled step for mode   87=        0.0000000982
 Unscaled step for mode   88=       -0.0000000236
 Unscaled step for mode   89=       -0.0000005707
 Unscaled step for mode   90=       -0.0000002822
 Unscaled step for mode   91=        0.0000000075
 Unscaled step for mode   92=        0.0000007580
 Unscaled step for mode   93=       -0.0000007137
 Unscaled step for mode   94=       -0.0000004913
 Unscaled step for mode   95=        0.0000006815
 Unscaled step for mode   96=        0.0000002216
 Unscaled step for mode   97=       -0.0000006446
 Unscaled step for mode   98=        0.0000005157
 Unscaled step for mode   99=        0.0000016849
 Unscaled step for mode  100=        0.0000006491
 Unscaled step for mode  101=       -0.0000032442
 Unscaled step for mode  102=       -0.0000022479
 Unscaled step for mode  103=        0.0000006355
 Unscaled step for mode  104=       -0.0000015664
 Unscaled step for mode  105=        0.0000014246
 Unscaled step for mode  106=        0.0000000182
 Unscaled step for mode  107=        0.0000060864
 Unscaled step for mode  108=       -0.0000039694
 Unscaled step for mode  109=       -0.0000054022
 Unscaled step for mode  110=        0.0000097685
 Unscaled step for mode  111=       -0.0001048645
 Unscaled step for mode  112=       -0.0000006490
 Unscaled step for mode  113=       -0.0012104134
 Unscaled step for mode  114=       -0.0792622631
 Largest modulus ratio of non-zero e/values=           152.1734299    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.715357E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.164148E-15    0.100750E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.122168E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.731007E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.230523E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.400071E-15    0.973642E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.762319E-06    0.724165E+03  0.105269E-08 0.100000E-04    0.980939E+00
   8   -0.191593E-05    0.671847E+03  0.285173E-08 0.100000E-04    0.985258E+00
   9    0.774083E-06    0.624882E+03 -0.123877E-08 0.100000E-04    0.993451E+00
  10    0.155797E-05    0.604279E+03 -0.257824E-08 0.100000E-04    0.995937E+00
  11   -0.106287E-05    0.589478E+03  0.180307E-08 0.100000E-04    0.999800E+00
  12    0.326966E-05    0.565726E+03 -0.577958E-08 0.100000E-04    0.999124E+00
  13   -0.857511E-07    0.564522E+03  0.151900E-09 0.100000E-04    0.147770E+01
  14   -0.555672E-05    0.479498E+03  0.115886E-07 0.100000E-04    0.997456E+00
  15    0.182882E-05    0.468534E+03 -0.390328E-08 0.100000E-04    0.994322E+00
  16    0.256026E-05    0.462549E+03 -0.553510E-08 0.100000E-04    0.994043E+00
  17    0.225361E-05    0.441359E+03 -0.510607E-08 0.100000E-04    0.997037E+00
  18    0.414358E-05    0.430938E+03 -0.961525E-08 0.100000E-04    0.996259E+00
  19    0.967088E-05    0.420959E+03 -0.229734E-07 0.100000E-04    0.995865E+00
  20    0.888976E-05    0.406533E+03 -0.218673E-07 0.100000E-04    0.999589E+00
  21    0.626253E-05    0.398077E+03 -0.157320E-07 0.100000E-04    0.997561E+00
  22    0.148810E-05    0.388677E+03 -0.382863E-08 0.100000E-04    0.982205E+00
  23   -0.144746E-05    0.367129E+03  0.394265E-08 0.100000E-04    0.990151E+00
  24    0.158096E-05    0.363161E+03 -0.435332E-08 0.100000E-04    0.994381E+00
  25   -0.118697E-04    0.351990E+03  0.337218E-07 0.100000E-04    0.995110E+00
  26   -0.191036E-04    0.340541E+03  0.560977E-07 0.100000E-04    0.994721E+00
  27   -0.953952E-05    0.324589E+03  0.293896E-07 0.100000E-04    0.994510E+00
  28   -0.172059E-05    0.321819E+03  0.534644E-08 0.100000E-04    0.956210E+00
  29   -0.217419E-05    0.318546E+03  0.682534E-08 0.100000E-04    0.958555E+00
  30   -0.163080E-04    0.316725E+03  0.514895E-07 0.100000E-04    0.992646E+00
  31   -0.452033E-05    0.305115E+03  0.148151E-07 0.100000E-04    0.987463E+00
  32   -0.167395E-05    0.287575E+03  0.582093E-08 0.100000E-04    0.987499E+00
  33    0.631594E-05    0.279598E+03 -0.225893E-07 0.100000E-04    0.996074E+00
  34    0.344184E-05    0.271063E+03 -0.126976E-07 0.100000E-04    0.994653E+00
  35    0.177004E-04    0.265857E+03 -0.665788E-07 0.100000E-04    0.995232E+00
  36    0.529565E-05    0.262818E+03 -0.201495E-07 0.100000E-04    0.988983E+00
  37   -0.882268E-05    0.258059E+03  0.341886E-07 0.100000E-04    0.993401E+00
  38   -0.367155E-05    0.253541E+03  0.144811E-07 0.100000E-04    0.996110E+00
  39   -0.129331E-04    0.243144E+03  0.531910E-07 0.100000E-04    0.996501E+00
  40    0.892643E-05    0.238491E+03 -0.374287E-07 0.100000E-04    0.992679E+00
  41    0.121017E-04    0.235129E+03 -0.514684E-07 0.100000E-04    0.988814E+00
  42   -0.446519E-05    0.228671E+03  0.195267E-07 0.100000E-04    0.991533E+00
  43    0.414725E-05    0.223221E+03 -0.185791E-07 0.100000E-04    0.987664E+00
  44   -0.776769E-05    0.212760E+03  0.365092E-07 0.100000E-04    0.984049E+00
  45    0.351872E-05    0.211539E+03 -0.166339E-07 0.100000E-04    0.991758E+00
  46    0.100153E-04    0.208913E+03 -0.479400E-07 0.100000E-04    0.991165E+00
  47   -0.201520E-04    0.203128E+03  0.992083E-07 0.100000E-04    0.994086E+00
  48    0.453528E-06    0.198230E+03 -0.228788E-08 0.100000E-04    0.937195E+00
  49   -0.120459E-04    0.195510E+03  0.616130E-07 0.100000E-04    0.992159E+00
  50   -0.733016E-05    0.191611E+03  0.382554E-07 0.100000E-04    0.999739E+00
  51   -0.810416E-05    0.185806E+03  0.436164E-07 0.100000E-04    0.992243E+00
  52   -0.228249E-07    0.177040E+03  0.128925E-09 0.100000E-04    0.646358E+00
  53   -0.751690E-05    0.170964E+03  0.439677E-07 0.100000E-04    0.995120E+00
  54   -0.576780E-05    0.167914E+03  0.343498E-07 0.100000E-04    0.988319E+00
  55    0.146735E-04    0.165641E+03 -0.885861E-07 0.100000E-04    0.995503E+00
  56    0.492393E-05    0.160253E+03 -0.307260E-07 0.100000E-04    0.999335E+00
  57    0.319566E-05    0.153495E+03 -0.208193E-07 0.100000E-04    0.989948E+00
  58    0.126586E-04    0.150976E+03 -0.838451E-07 0.100000E-04    0.994355E+00
  59   -0.663746E-05    0.149035E+03  0.445362E-07 0.100000E-04    0.997396E+00
  60   -0.131278E-04    0.142856E+03  0.918953E-07 0.100000E-04    0.993241E+00
  61    0.107869E-04    0.136942E+03 -0.787700E-07 0.100000E-04    0.994620E+00
  62   -0.260781E-04    0.135101E+03  0.193026E-06 0.100000E-04    0.997247E+00
  63    0.173943E-04    0.130920E+03 -0.132863E-06 0.100000E-04    0.997713E+00
  64   -0.674201E-05    0.127661E+03  0.528119E-07 0.100000E-04    0.986949E+00
  65    0.590767E-07    0.125972E+03 -0.468965E-09 0.100000E-04    0.711269E+00
  66   -0.196727E-04    0.125091E+03  0.157267E-06 0.100000E-04    0.996656E+00
  67    0.178168E-05    0.119481E+03 -0.149118E-07 0.100000E-04    0.982306E+00
  68   -0.584322E-05    0.117953E+03  0.495385E-07 0.100000E-04    0.995268E+00
  69    0.139634E-05    0.116667E+03 -0.119686E-07 0.100000E-04    0.987549E+00
  70   -0.122887E-04    0.112060E+03  0.109661E-06 0.100000E-04    0.990775E+00
  71    0.134095E-05    0.109450E+03 -0.122518E-07 0.100000E-04    0.983463E+00
  72   -0.272432E-04    0.105268E+03  0.258798E-06 0.100000E-04    0.995119E+00
  73    0.129520E-04    0.102886E+03 -0.125887E-06 0.100000E-04    0.991510E+00
  74   -0.264733E-04    0.100177E+03  0.264266E-06 0.100000E-04    0.998071E+00
  75   -0.253179E-04    0.970040E+02  0.260999E-06 0.100000E-04    0.990667E+00
  76    0.242949E-04    0.951070E+02 -0.255448E-06 0.100000E-04    0.995327E+00
  77   -0.473675E-04    0.911753E+02  0.519521E-06 0.100000E-04    0.993997E+00
  78    0.325674E-05    0.908341E+02 -0.358537E-07 0.100000E-04    0.967660E+00
  79    0.308540E-04    0.890607E+02 -0.346438E-06 0.100000E-04    0.996540E+00
  80    0.128639E-04    0.845947E+02 -0.152065E-06 0.100000E-04    0.993013E+00
  81    0.132823E-04    0.808942E+02 -0.164194E-06 0.100000E-04    0.996000E+00
  82    0.143783E-04    0.793695E+02 -0.181157E-06 0.100000E-04    0.995231E+00
  83    0.104493E-04    0.785412E+02 -0.133042E-06 0.100000E-04    0.992311E+00
  84   -0.190869E-04    0.728210E+02  0.262107E-06 0.100000E-04    0.995106E+00
  85    0.305052E-04    0.715881E+02 -0.426121E-06 0.100000E-04    0.997161E+00
  86   -0.347893E-04    0.686796E+02  0.506545E-06 0.100000E-04    0.999587E+00
  87   -0.666698E-05    0.678643E+02  0.982399E-07 0.100000E-04    0.945827E+00
  88    0.149361E-05    0.634062E+02 -0.235561E-07 0.100000E-04    0.980452E+00
  89    0.351743E-04    0.616319E+02 -0.570716E-06 0.100000E-04    0.995842E+00
  90    0.168332E-04    0.596521E+02 -0.282190E-06 0.100000E-04    0.998395E+00
  91   -0.443829E-06    0.588070E+02  0.754721E-08 0.100000E-04    0.986188E+00
  92   -0.423533E-04    0.558726E+02  0.758034E-06 0.100000E-04    0.994368E+00
  93    0.381141E-04    0.534041E+02 -0.713693E-06 0.100000E-04    0.999563E+00
  94    0.256608E-04    0.522330E+02 -0.491275E-06 0.100000E-04    0.995882E+00
  95   -0.342611E-04    0.502746E+02  0.681480E-06 0.100000E-04    0.998884E+00
  96   -0.106261E-04    0.479439E+02  0.221636E-06 0.100000E-04    0.995039E+00
  97    0.279127E-04    0.433008E+02 -0.644624E-06 0.100000E-04    0.997470E+00
  98   -0.206414E-04    0.400262E+02  0.515699E-06 0.100000E-04    0.994723E+00
  99   -0.624101E-04    0.370409E+02  0.168490E-05 0.100000E-04    0.992768E+00
 100   -0.234246E-04    0.360862E+02  0.649128E-06 0.100000E-04    0.986755E+00
 101    0.114646E-03    0.353384E+02 -0.324424E-05 0.100000E-04    0.998491E+00
 102    0.651006E-04    0.289610E+02 -0.224787E-05 0.100000E-04    0.998067E+00
 103   -0.182987E-04    0.287946E+02  0.635490E-06 0.100000E-04    0.958618E+00
 104    0.449602E-04    0.287027E+02 -0.156641E-05 0.100000E-04    0.994750E+00
 105   -0.328792E-04    0.230800E+02  0.142458E-05 0.100000E-04    0.994230E+00
 106   -0.399164E-06    0.219350E+02  0.181976E-07 0.100000E-04    0.595971E+00
 107   -0.120049E-03    0.197241E+02  0.608641E-05 0.100000E-04    0.998450E+00
 108    0.666165E-04    0.167826E+02 -0.396937E-05 0.100000E-04    0.995455E+00
 109    0.744752E-04    0.137861E+02 -0.540217E-05 0.100000E-04    0.998722E+00
 110   -0.121003E-03    0.123870E+02  0.976851E-05 0.100000E-04    0.996003E+00
 111    0.111678E-02    0.106498E+02 -0.100000E-04 0.100000E-04    0.700479E+00
 112    0.620082E-05    0.955406E+01 -0.649025E-06 0.100000E-04    0.954458E+00
 113    0.920027E-02    0.760093E+01 -0.114395E-04 0.114395E-04    0.219902E+00
 114   -0.379579E+00    0.475882E+01 -0.400000E-03 0.400000E-03    0.229319E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7926226308E-01

 Beginning of optimization cycle  179.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3878522153
 potential> RMS force:                                               0.0357394160   |gradient|=.3815925408    
 Eigenvalues of the Hessian matrix:
   724.22574    671.86115    624.89887    604.28586    589.47303    565.75007 
   564.55595    479.51749    468.51123    462.53915    441.35771    430.92894 
   420.96677    406.54358    398.07301    388.67998    367.13258    363.15140 
   351.98212    340.50439    324.59524    321.81274    318.55878    316.70263 
   305.11117    287.57957    279.59340    271.05774    265.85998    262.82823 
   258.06630    253.54333    243.13484    238.47825    235.14043    228.67249 
   223.20117    212.76306    211.54402    208.89994    203.13149    198.22626 
   195.51062    191.61098    185.79633    177.02585    170.96890    167.91023 
   165.63934    160.24692    153.49461    150.97475    149.03918    142.85941 
   136.94264    135.10665    130.91818    127.66118    125.97498    125.09646 
   119.48247    117.95348    116.67025    112.05265    109.43934    105.26480 
   102.88777    100.17294     96.99916     95.10767     91.18422     90.82841 
    89.07128     84.59664     80.89445     79.37295     78.53912     72.81899 
    71.59157     68.67089     67.86480     63.40565     61.62261     59.65213 
    58.80972     55.87374     53.40026     52.23264     50.27368     47.94267 
    43.29661     40.02867     37.03860     36.08116     35.34569     28.95818 
    28.79084     28.69935     23.07644     21.93463     19.72739     16.78370 
    13.78563     12.38525     10.63746      9.55558      7.60037      4.75702 
overlap for current and previous eigenvector    109 is         0.9999986434
overlap for current and previous eigenvector    110 is         0.9999981993
overlap for current and previous eigenvector    111 is         0.9999941197
overlap for current and previous eigenvector    112 is         0.9999971531
overlap for current and previous eigenvector    113 is         0.9999986629
overlap for current and previous eigenvector    114 is         0.9999995421
J1,K1,R1,R2,RAT=   7   7   -0.2240576370E-01     2.022239296        0.9775942363    
FOB,PFOB,DIAG,PSTEP=   -0.7794005902E-06   -0.7623188327E-06     724.2257445        0.1052685981E-08
J1,K1,R1,R2,RAT=   8   8   -0.1716714234E-02     2.001674737        0.9982832858    
FOB,PFOB,DIAG,PSTEP=   -0.1919218411E-05   -0.1915929239E-05     671.8611519        0.2851734241E-08
J1,K1,R1,R2,RAT=   9   9    0.7870794675E-02     1.992076531        0.9920765307    
FOB,PFOB,DIAG,PSTEP=    0.7679902291E-06    0.7740830382E-06     624.8988688       -0.1238765926E-08
J1,K1,R1,R2,RAT=  10  10   -0.7819227483E-02     2.007795622        0.9921807725    
FOB,PFOB,DIAG,PSTEP=    0.1570156457E-05    0.1557974159E-05     604.2858640       -0.2578237619E-08
J1,K1,R1,R2,RAT=  11  11   -0.3822717707E-02     2.003840139        0.9961772823    
FOB,PFOB,DIAG,PSTEP=   -0.1066932124E-05   -0.1062869111E-05     589.4730252        0.1803067838E-08
J1,K1,R1,R2,RAT= 109 109   -0.4759462314E-03     2.000551078        0.9995240538    
FOB,PFOB,DIAG,PSTEP=    0.7451059518E-04    0.7447515034E-04     13.78562512       -0.5402174518E-05
J1,K1,R1,R2,RAT= 110 110   -0.1063322728E-01     2.010919055        0.9893667727    
FOB,PFOB,DIAG,PSTEP=   -0.1222892751E-03   -0.1210028086E-03     12.38525284        0.9768514188E-05
J1,K1,R1,R2,RAT= 111 111   -0.2977148628         21.29490640        0.7022851372    
FOB,PFOB,DIAG,PSTEP=    0.1148453331E-02    0.1116784029E-02     10.63746098       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.5493486808E-01     1.944746633        0.9447466333    
FOB,PFOB,DIAG,PSTEP=    0.5860125168E-05    0.6200820690E-05     9.555578145       -0.6490249182E-06
J1,K1,R1,R2,RAT= 113 113   -0.9740072039         212.6103512        0.2599279607E-01
FOB,PFOB,DIAG,PSTEP=    0.9284959084E-02    0.9200274820E-02     7.600371134       -0.1143946583E-04
J1,K1,R1,R2,RAT= 114 114    0.9976968971        -399.9651642        0.2303102868E-02
FOB,PFOB,DIAG,PSTEP=   -0.3814777190       -0.3795792931         4.757020612       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00001      0.00000      0.00000      0.00001     -0.00001     -0.00001 
    -0.00001      0.00003     -0.00002      0.00001     -0.00000      0.00002 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000      0.00003 
    -0.00001     -0.00003     -0.00003      0.00002     -0.00005     -0.00000 
     0.00003      0.00001      0.00001      0.00001      0.00001      0.00002 
    -0.00003      0.00003      0.00001     -0.00000     -0.00004     -0.00002 
     0.00000      0.00004     -0.00004     -0.00003      0.00003     -0.00001 
     0.00003      0.00002      0.00006      0.00002      0.00011      0.00007 
    -0.00002      0.00004     -0.00003     -0.00000     -0.00012      0.00007 
     0.00007     -0.00012      0.00115      0.00001      0.00928     -0.38148 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386745188
 Log product of positive Hessian eigenvalues =          520.2812939712
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7570206121
 Unscaled step for mode    7=        0.0000000011
 Unscaled step for mode    8=        0.0000000029
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=        0.0000000002
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000056
 Unscaled step for mode   17=       -0.0000000052
 Unscaled step for mode   18=       -0.0000000096
 Unscaled step for mode   19=       -0.0000000231
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000158
 Unscaled step for mode   22=       -0.0000000039
 Unscaled step for mode   23=        0.0000000039
 Unscaled step for mode   24=       -0.0000000043
 Unscaled step for mode   25=        0.0000000339
 Unscaled step for mode   26=        0.0000000564
 Unscaled step for mode   27=        0.0000000295
 Unscaled step for mode   28=        0.0000000051
 Unscaled step for mode   29=        0.0000000065
 Unscaled step for mode   30=        0.0000000518
 Unscaled step for mode   31=        0.0000000149
 Unscaled step for mode   32=        0.0000000059
 Unscaled step for mode   33=       -0.0000000227
 Unscaled step for mode   34=       -0.0000000128
 Unscaled step for mode   35=       -0.0000000668
 Unscaled step for mode   36=       -0.0000000204
 Unscaled step for mode   37=        0.0000000344
 Unscaled step for mode   38=        0.0000000145
 Unscaled step for mode   39=        0.0000000534
 Unscaled step for mode   40=       -0.0000000376
 Unscaled step for mode   41=       -0.0000000520
 Unscaled step for mode   42=        0.0000000196
 Unscaled step for mode   43=       -0.0000000187
 Unscaled step for mode   44=        0.0000000368
 Unscaled step for mode   45=       -0.0000000167
 Unscaled step for mode   46=       -0.0000000482
 Unscaled step for mode   47=        0.0000000996
 Unscaled step for mode   48=       -0.0000000024
 Unscaled step for mode   49=        0.0000000619
 Unscaled step for mode   50=        0.0000000386
 Unscaled step for mode   51=        0.0000000438
 Unscaled step for mode   52=        0.0000000002
 Unscaled step for mode   53=        0.0000000441
 Unscaled step for mode   54=        0.0000000346
 Unscaled step for mode   55=       -0.0000000889
 Unscaled step for mode   56=       -0.0000000309
 Unscaled step for mode   57=       -0.0000000210
 Unscaled step for mode   58=       -0.0000000844
 Unscaled step for mode   59=        0.0000000444
 Unscaled step for mode   60=        0.0000000922
 Unscaled step for mode   61=        0.0000000795
 Unscaled step for mode   62=       -0.0000001938
 Unscaled step for mode   63=        0.0000001336
 Unscaled step for mode   64=       -0.0000000534
 Unscaled step for mode   65=        0.0000000005
 Unscaled step for mode   66=       -0.0000001581
 Unscaled step for mode   67=        0.0000000149
 Unscaled step for mode   68=        0.0000000499
 Unscaled step for mode   69=        0.0000000123
 Unscaled step for mode   70=       -0.0000001102
 Unscaled step for mode   71=        0.0000000125
 Unscaled step for mode   72=       -0.0000002608
 Unscaled step for mode   73=        0.0000001268
 Unscaled step for mode   74=        0.0000002653
 Unscaled step for mode   75=        0.0000002631
 Unscaled step for mode   76=       -0.0000002565
 Unscaled step for mode   77=        0.0000005218
 Unscaled step for mode   78=        0.0000000351
 Unscaled step for mode   79=       -0.0000003460
 Unscaled step for mode   80=       -0.0000001529
 Unscaled step for mode   81=       -0.0000001650
 Unscaled step for mode   82=       -0.0000001809
 Unscaled step for mode   83=       -0.0000001332
 Unscaled step for mode   84=       -0.0000002644
 Unscaled step for mode   85=        0.0000004288
 Unscaled step for mode   86=       -0.0000005072
 Unscaled step for mode   87=       -0.0000001028
 Unscaled step for mode   88=        0.0000000241
 Unscaled step for mode   89=        0.0000005739
 Unscaled step for mode   90=        0.0000002846
 Unscaled step for mode   91=       -0.0000000079
 Unscaled step for mode   92=       -0.0000007613
 Unscaled step for mode   93=        0.0000007155
 Unscaled step for mode   94=        0.0000004951
 Unscaled step for mode   95=       -0.0000006824
 Unscaled step for mode   96=        0.0000002213
 Unscaled step for mode   97=       -0.0000006491
 Unscaled step for mode   98=       -0.0000005187
 Unscaled step for mode   99=       -0.0000017052
 Unscaled step for mode  100=       -0.0000006395
 Unscaled step for mode  101=       -0.0000032505
 Unscaled step for mode  102=       -0.0000022605
 Unscaled step for mode  103=        0.0000006631
 Unscaled step for mode  104=       -0.0000015675
 Unscaled step for mode  105=        0.0000014339
 Unscaled step for mode  106=        0.0000000330
 Unscaled step for mode  107=        0.0000061052
 Unscaled step for mode  108=       -0.0000039347
 Unscaled step for mode  109=       -0.0000054049
 Unscaled step for mode  110=        0.0000098738
 Unscaled step for mode  111=       -0.0001079631
 Unscaled step for mode  112=       -0.0000006133
 Unscaled step for mode  113=       -0.0012216437
 Unscaled step for mode  114=       -0.0796833940
 Largest modulus ratio of non-zero e/values=           152.2435582    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.125117E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.514779E-15    0.100749E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.209685E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.579831E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.477512E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.136366E-15    0.973644E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.779401E-06    0.724226E+03  0.107618E-08 0.100000E-04    0.977594E+00
   8   -0.191922E-05    0.671861E+03  0.285657E-08 0.100000E-04    0.998283E+00
   9    0.767990E-06    0.624899E+03 -0.122898E-08 0.100000E-04    0.992077E+00
  10    0.157016E-05    0.604286E+03 -0.259837E-08 0.100000E-04    0.992181E+00
  11   -0.106693E-05    0.589473E+03  0.180998E-08 0.100000E-04    0.996177E+00
  12    0.326320E-05    0.565750E+03 -0.576793E-08 0.100000E-04    0.997941E+00
  13   -0.119952E-06    0.564556E+03  0.212471E-09 0.100000E-04    0.601189E+00
  14   -0.555413E-05    0.479517E+03  0.115827E-07 0.100000E-04    0.999453E+00
  15    0.181974E-05    0.468511E+03 -0.388410E-08 0.100000E-04    0.995038E+00
  16    0.258741E-05    0.462539E+03 -0.559392E-08 0.100000E-04    0.989395E+00
  17    0.228241E-05    0.441358E+03 -0.517134E-08 0.100000E-04    0.987220E+00
  18    0.415161E-05    0.430929E+03 -0.963410E-08 0.100000E-04    0.998062E+00
  19    0.972179E-05    0.420967E+03 -0.230940E-07 0.100000E-04    0.994736E+00
  20    0.890755E-05    0.406544E+03 -0.219105E-07 0.100000E-04    0.997999E+00
  21    0.628839E-05    0.398073E+03 -0.157971E-07 0.100000E-04    0.995870E+00
  22    0.152106E-05    0.388680E+03 -0.391339E-08 0.100000E-04    0.977855E+00
  23   -0.144397E-05    0.367133E+03  0.393309E-08 0.100000E-04    0.997568E+00
  24    0.157035E-05    0.363151E+03 -0.432424E-08 0.100000E-04    0.993292E+00
  25   -0.119250E-04    0.351982E+03  0.338795E-07 0.100000E-04    0.995347E+00
  26   -0.192107E-04    0.340504E+03  0.564185E-07 0.100000E-04    0.994389E+00
  27   -0.958182E-05    0.324595E+03  0.295193E-07 0.100000E-04    0.995566E+00
  28   -0.163583E-05    0.321813E+03  0.508316E-08 0.100000E-04    0.950736E+00
  29   -0.205759E-05    0.318559E+03  0.645907E-08 0.100000E-04    0.946298E+00
  30   -0.163994E-04    0.316703E+03  0.517818E-07 0.100000E-04    0.994392E+00
  31   -0.455141E-05    0.305111E+03  0.149172E-07 0.100000E-04    0.993123E+00
  32   -0.170188E-05    0.287580E+03  0.591796E-08 0.100000E-04    0.983315E+00
  33    0.635912E-05    0.279593E+03 -0.227442E-07 0.100000E-04    0.993165E+00
  34    0.348160E-05    0.271058E+03 -0.128445E-07 0.100000E-04    0.988447E+00
  35    0.177557E-04    0.265860E+03 -0.667860E-07 0.100000E-04    0.996877E+00
  36    0.535712E-05    0.262828E+03 -0.203826E-07 0.100000E-04    0.988394E+00
  37   -0.887758E-05    0.258066E+03  0.344004E-07 0.100000E-04    0.993777E+00
  38   -0.367008E-05    0.253543E+03  0.144751E-07 0.100000E-04    0.999579E+00
  39   -0.129911E-04    0.243135E+03  0.534317E-07 0.100000E-04    0.995512E+00
  40    0.897250E-05    0.238478E+03 -0.376240E-07 0.100000E-04    0.994839E+00
  41    0.122322E-04    0.235140E+03 -0.520209E-07 0.100000E-04    0.989218E+00
  42   -0.449258E-05    0.228672E+03  0.196464E-07 0.100000E-04    0.993866E+00
  43    0.417702E-05    0.223201E+03 -0.187141E-07 0.100000E-04    0.992820E+00
  44   -0.782411E-05    0.212763E+03  0.367738E-07 0.100000E-04    0.992738E+00
  45    0.352541E-05    0.211544E+03 -0.166651E-07 0.100000E-04    0.998097E+00
  46    0.100718E-04    0.208900E+03 -0.482135E-07 0.100000E-04    0.994356E+00
  47   -0.202311E-04    0.203131E+03  0.995962E-07 0.100000E-04    0.996075E+00
  48    0.475563E-06    0.198226E+03 -0.239909E-08 0.100000E-04    0.951411E+00
  49   -0.121068E-04    0.195511E+03  0.619239E-07 0.100000E-04    0.994950E+00
  50   -0.739217E-05    0.191611E+03  0.385790E-07 0.100000E-04    0.991541E+00
  51   -0.813650E-05    0.185796E+03  0.437926E-07 0.100000E-04    0.996009E+00
  52   -0.273062E-07    0.177026E+03  0.154250E-09 0.100000E-04    0.803650E+00
  53   -0.754460E-05    0.170969E+03  0.441285E-07 0.100000E-04    0.996315E+00
  54   -0.580963E-05    0.167910E+03  0.345996E-07 0.100000E-04    0.992747E+00
  55    0.147236E-04    0.165639E+03 -0.888894E-07 0.100000E-04    0.996587E+00
  56    0.495020E-05    0.160247E+03 -0.308911E-07 0.100000E-04    0.994665E+00
  57    0.322321E-05    0.153495E+03 -0.209988E-07 0.100000E-04    0.991378E+00
  58    0.127438E-04    0.150975E+03 -0.844098E-07 0.100000E-04    0.993271E+00
  59   -0.661576E-05    0.149039E+03  0.443894E-07 0.100000E-04    0.996677E+00
  60   -0.131690E-04    0.142859E+03  0.921814E-07 0.100000E-04    0.996864E+00
  61   -0.108823E-04    0.136943E+03  0.794664E-07 0.100000E-04    0.991157E+00
  62    0.261778E-04    0.135107E+03 -0.193756E-06 0.100000E-04    0.996176E+00
  63   -0.174932E-04    0.130918E+03  0.133619E-06 0.100000E-04    0.994315E+00
  64    0.681682E-05    0.127661E+03 -0.533978E-07 0.100000E-04    0.988904E+00
  65   -0.624603E-07    0.125975E+03  0.495815E-09 0.100000E-04    0.942727E+00
  66    0.197780E-04    0.125096E+03 -0.158102E-06 0.100000E-04    0.994646E+00
  67   -0.177586E-05    0.119482E+03  0.148630E-07 0.100000E-04    0.996714E+00
  68   -0.588018E-05    0.117953E+03  0.498517E-07 0.100000E-04    0.993674E+00
  69   -0.143478E-05    0.116670E+03  0.122978E-07 0.100000E-04    0.972470E+00
  70    0.123483E-04    0.112053E+03 -0.110201E-06 0.100000E-04    0.995150E+00
  71   -0.136704E-05    0.109439E+03  0.124913E-07 0.100000E-04    0.980545E+00
  72    0.274495E-04    0.105265E+03 -0.260767E-06 0.100000E-04    0.992427E+00
  73   -0.130510E-04    0.102888E+03  0.126847E-06 0.100000E-04    0.992359E+00
  74   -0.265799E-04    0.100173E+03  0.265341E-06 0.100000E-04    0.995973E+00
  75   -0.255178E-04    0.969992E+02  0.263073E-06 0.100000E-04    0.992105E+00
  76    0.243911E-04    0.951077E+02 -0.256458E-06 0.100000E-04    0.996040E+00
  77   -0.475797E-04    0.911842E+02  0.521797E-06 0.100000E-04    0.995521E+00
  78   -0.318628E-05    0.908284E+02  0.350803E-07 0.100000E-04    0.978365E+00
  79    0.308187E-04    0.890713E+02 -0.346000E-06 0.100000E-04    0.998617E+00
  80    0.129342E-04    0.845966E+02 -0.152893E-06 0.100000E-04    0.994535E+00
  81    0.133507E-04    0.808945E+02 -0.165038E-06 0.100000E-04    0.994856E+00
  82    0.143595E-04    0.793729E+02 -0.180912E-06 0.100000E-04    0.998604E+00
  83    0.104588E-04    0.785391E+02 -0.133167E-06 0.100000E-04    0.999087E+00
  84    0.192525E-04    0.728190E+02 -0.264388E-06 0.100000E-04    0.991322E+00
  85   -0.306949E-04    0.715916E+02  0.428751E-06 0.100000E-04    0.993779E+00
  86    0.348280E-04    0.686709E+02 -0.507173E-06 0.100000E-04    0.998887E+00
  87    0.697844E-05    0.678648E+02 -0.102829E-06 0.100000E-04    0.953284E+00
  88   -0.152723E-05    0.634057E+02  0.240867E-07 0.100000E-04    0.977486E+00
  89   -0.353632E-04    0.616226E+02  0.573868E-06 0.100000E-04    0.994627E+00
  90   -0.169796E-04    0.596521E+02  0.284644E-06 0.100000E-04    0.991304E+00
  91    0.462605E-06    0.588097E+02 -0.786613E-08 0.100000E-04    0.957698E+00
  92    0.425353E-04    0.558737E+02 -0.761276E-06 0.100000E-04    0.995702E+00
  93   -0.382099E-04    0.534003E+02  0.715539E-06 0.100000E-04    0.997486E+00
  94   -0.258613E-04    0.522326E+02  0.495117E-06 0.100000E-04    0.992187E+00
  95    0.343076E-04    0.502737E+02 -0.682417E-06 0.100000E-04    0.998644E+00
  96   -0.106093E-04    0.479427E+02  0.221292E-06 0.100000E-04    0.998420E+00
  97    0.281044E-04    0.432966E+02 -0.649112E-06 0.100000E-04    0.993133E+00
  98    0.207641E-04    0.400287E+02 -0.518730E-06 0.100000E-04    0.994059E+00
  99    0.631576E-04    0.370386E+02 -0.170518E-05 0.100000E-04    0.988022E+00
 100    0.230736E-04    0.360812E+02 -0.639491E-06 0.100000E-04    0.985013E+00
 101    0.114893E-03    0.353457E+02 -0.325055E-05 0.100000E-04    0.997849E+00
 102    0.654598E-04    0.289582E+02 -0.226049E-05 0.100000E-04    0.994482E+00
 103   -0.190921E-04    0.287908E+02  0.663132E-06 0.100000E-04    0.956634E+00
 104    0.449863E-04    0.286994E+02 -0.156750E-05 0.100000E-04    0.999420E+00
 105   -0.330887E-04    0.230764E+02  0.143388E-05 0.100000E-04    0.993627E+00
 106   -0.723826E-06    0.219346E+02  0.329992E-07 0.109000E-04    0.186632E+00
 107   -0.120440E-03    0.197274E+02  0.610522E-05 0.100000E-04    0.996744E+00
 108    0.660395E-04    0.167837E+02 -0.393474E-05 0.100000E-04    0.991211E+00
 109    0.745106E-04    0.137856E+02 -0.540495E-05 0.100000E-04    0.999524E+00
 110   -0.122289E-03    0.123853E+02  0.987378E-05 0.100000E-04    0.989367E+00
 111    0.114845E-02    0.106375E+02 -0.100000E-04 0.100000E-04    0.702285E+00
 112    0.586013E-05    0.955558E+01 -0.613267E-06 0.100000E-04    0.944747E+00
 113    0.928496E-02    0.760037E+01 -0.124690E-04 0.124690E-04    0.259928E-01
 114   -0.381478E+00    0.475702E+01 -0.400000E-03 0.400000E-03    0.230310E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.7968339404E-01

 Beginning of optimization cycle  180.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3876993717
 potential> RMS force:                                               0.0359172806   |gradient|=.3834916156    
 Eigenvalues of the Hessian matrix:
   724.28599    671.87512    624.91523    604.29299    589.46774    565.77436 
   564.58944    479.53710    468.48835    462.52940    441.35655    430.91961 
   420.97415    406.55435    398.06897    388.68294    367.13586    363.14147 
   351.97402    340.46788    324.60171    321.80625    318.57145    316.68028 
   305.10684    287.58408    279.58836    271.05265    265.86313    262.83819 
   258.07327    253.54578    243.12604    238.46510    235.15174    228.67388 
   223.18182    212.76661    211.54895    208.88701    203.13474    198.22229 
   195.51134    191.61087    185.78711    177.01175    170.97373    167.90653 
   165.63764    160.24100    153.49433    150.97387    149.04302    142.86264 
   136.94303    135.11207    130.91672    127.66146    125.97745    125.10224 
   119.48369    117.95389    116.67331    112.04528    109.42867    105.26114 
   102.88910    100.16906     96.99427     95.10830     91.19318     90.82275 
    89.08182     84.59865     80.89473     79.37642     78.53705     72.81698 
    71.59503     68.66219     67.86521     63.40508     61.61330     59.65214 
    58.81237     55.87487     53.39634     52.23227     50.27279     47.94136 
    43.29246     40.03113     37.03644     36.07596     35.35294     28.95544 
    28.78728     28.69567     23.07295     21.93423     19.73067     16.78474 
    13.78512     12.38351     10.62513      9.55709      7.59978      4.75519 
overlap for current and previous eigenvector    109 is        -0.9999986578
overlap for current and previous eigenvector    110 is        -0.9999982354
overlap for current and previous eigenvector    111 is         0.9999940275
overlap for current and previous eigenvector    112 is         0.9999970114
overlap for current and previous eigenvector    113 is         0.9999986463
overlap for current and previous eigenvector    114 is         0.9999995445
J1,K1,R1,R2,RAT=   7   7   -0.1862088933E-01     2.018454527        0.9813791107    
FOB,PFOB,DIAG,PSTEP=   -0.7939149296E-06   -0.7794005902E-06     724.2859917        0.1076184596E-08
J1,K1,R1,R2,RAT=   8   8   -0.1444878029E-01     2.014407198        0.9855512197    
FOB,PFOB,DIAG,PSTEP=   -0.1946949352E-05   -0.1919218411E-05     671.8751210        0.2856570000E-08
J1,K1,R1,R2,RAT=   9   9   -0.6232740879E-02     2.006180387        0.9937672591    
FOB,PFOB,DIAG,PSTEP=    0.7727770385E-06    0.7679902291E-06     624.9152271       -0.1228983228E-08
J1,K1,R1,R2,RAT=  10  10    0.3991416977E-02     1.995984986        0.9959849860    
FOB,PFOB,DIAG,PSTEP=    0.1563889234E-05    0.1570156457E-05     604.2929938       -0.2598367016E-08
J1,K1,R1,R2,RAT=  11  11    0.1655299457E-03     1.999852390        0.9998344701    
FOB,PFOB,DIAG,PSTEP=   -0.1066755517E-05   -0.1066932124E-05     589.4677436        0.1809976163E-08
J1,K1,R1,R2,RAT= 109 109     2.001311464       -0.1237501782E-02    0.9987624982    
FOB,PFOB,DIAG,PSTEP=   -0.7460279876E-04    0.7451059518E-04     13.78511533       -0.5404948599E-05
J1,K1,R1,R2,RAT= 110 110     2.004166197       -0.3884303347E-02    0.9961156967    
FOB,PFOB,DIAG,PSTEP=    0.1227642168E-03   -0.1222892751E-03     12.38350742        0.9873781073E-05
J1,K1,R1,R2,RAT= 111 111   -0.3072766631         21.92496285        0.6927233369    
FOB,PFOB,DIAG,PSTEP=    0.1181101867E-02    0.1148453331E-02     10.62512723       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.5159772030E-01     2.051280688        0.9484022797    
FOB,PFOB,DIAG,PSTEP=    0.6162542205E-05    0.5860125168E-05     9.557093100       -0.6132674631E-06
J1,K1,R1,R2,RAT= 113 113   -0.8093398926         196.7734431        0.1906601074    
FOB,PFOB,DIAG,PSTEP=    0.9361653618E-02    0.9284959084E-02     7.599783530       -0.1246901776E-04
J1,K1,R1,R2,RAT= 114 114    0.9976873298        -402.1145726        0.2312670226E-02
FOB,PFOB,DIAG,PSTEP=   -0.3833753977       -0.3814777190         4.755193972       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00001     -0.00000     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00003     -0.00002      0.00001     -0.00000      0.00002 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000      0.00003 
    -0.00001     -0.00003     -0.00003      0.00002      0.00005      0.00000 
     0.00003      0.00001      0.00001      0.00001      0.00001      0.00002 
    -0.00003      0.00003      0.00001     -0.00000     -0.00004     -0.00002 
     0.00000     -0.00004      0.00004     -0.00003      0.00003     -0.00001 
     0.00003     -0.00002     -0.00006     -0.00002      0.00012      0.00007 
    -0.00002      0.00004      0.00003      0.00000      0.00012     -0.00007 
    -0.00007      0.00012      0.00118      0.00001      0.00936     -0.38338 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386617062
 Log product of positive Hessian eigenvalues =          520.2789026882
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7551939721
 Unscaled step for mode    7=        0.0000000011
 Unscaled step for mode    8=        0.0000000029
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000058
 Unscaled step for mode   13=        0.0000000003
 Unscaled step for mode   14=        0.0000000116
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000056
 Unscaled step for mode   17=       -0.0000000052
 Unscaled step for mode   18=       -0.0000000097
 Unscaled step for mode   19=       -0.0000000232
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000158
 Unscaled step for mode   22=       -0.0000000040
 Unscaled step for mode   23=        0.0000000039
 Unscaled step for mode   24=       -0.0000000043
 Unscaled step for mode   25=        0.0000000340
 Unscaled step for mode   26=        0.0000000567
 Unscaled step for mode   27=        0.0000000297
 Unscaled step for mode   28=        0.0000000048
 Unscaled step for mode   29=        0.0000000062
 Unscaled step for mode   30=        0.0000000522
 Unscaled step for mode   31=        0.0000000151
 Unscaled step for mode   32=        0.0000000060
 Unscaled step for mode   33=       -0.0000000228
 Unscaled step for mode   34=       -0.0000000129
 Unscaled step for mode   35=       -0.0000000671
 Unscaled step for mode   36=       -0.0000000206
 Unscaled step for mode   37=        0.0000000346
 Unscaled step for mode   38=        0.0000000145
 Unscaled step for mode   39=        0.0000000536
 Unscaled step for mode   40=       -0.0000000379
 Unscaled step for mode   41=       -0.0000000526
 Unscaled step for mode   42=        0.0000000198
 Unscaled step for mode   43=       -0.0000000189
 Unscaled step for mode   44=        0.0000000373
 Unscaled step for mode   45=       -0.0000000165
 Unscaled step for mode   46=       -0.0000000486
 Unscaled step for mode   47=        0.0000001002
 Unscaled step for mode   48=       -0.0000000025
 Unscaled step for mode   49=        0.0000000624
 Unscaled step for mode   50=        0.0000000386
 Unscaled step for mode   51=        0.0000000441
 Unscaled step for mode   52=        0.0000000002
 Unscaled step for mode   53=        0.0000000443
 Unscaled step for mode   54=       -0.0000000350
 Unscaled step for mode   55=        0.0000000893
 Unscaled step for mode   56=        0.0000000309
 Unscaled step for mode   57=        0.0000000212
 Unscaled step for mode   58=       -0.0000000849
 Unscaled step for mode   59=       -0.0000000445
 Unscaled step for mode   60=        0.0000000928
 Unscaled step for mode   61=       -0.0000000799
 Unscaled step for mode   62=       -0.0000001943
 Unscaled step for mode   63=        0.0000001339
 Unscaled step for mode   64=       -0.0000000541
 Unscaled step for mode   65=        0.0000000003
 Unscaled step for mode   66=       -0.0000001586
 Unscaled step for mode   67=        0.0000000151
 Unscaled step for mode   68=        0.0000000501
 Unscaled step for mode   69=        0.0000000124
 Unscaled step for mode   70=       -0.0000001112
 Unscaled step for mode   71=        0.0000000127
 Unscaled step for mode   72=       -0.0000002620
 Unscaled step for mode   73=        0.0000001279
 Unscaled step for mode   74=        0.0000002658
 Unscaled step for mode   75=        0.0000002655
 Unscaled step for mode   76=       -0.0000002576
 Unscaled step for mode   77=       -0.0000005248
 Unscaled step for mode   78=       -0.0000000340
 Unscaled step for mode   79=       -0.0000003448
 Unscaled step for mode   80=       -0.0000001539
 Unscaled step for mode   81=       -0.0000001657
 Unscaled step for mode   82=       -0.0000001800
 Unscaled step for mode   83=       -0.0000001342
 Unscaled step for mode   84=       -0.0000002657
 Unscaled step for mode   85=        0.0000004299
 Unscaled step for mode   86=       -0.0000005073
 Unscaled step for mode   87=       -0.0000001081
 Unscaled step for mode   88=        0.0000000236
 Unscaled step for mode   89=        0.0000005763
 Unscaled step for mode   90=        0.0000002851
 Unscaled step for mode   91=       -0.0000000080
 Unscaled step for mode   92=        0.0000007655
 Unscaled step for mode   93=       -0.0000007152
 Unscaled step for mode   94=        0.0000004971
 Unscaled step for mode   95=       -0.0000006816
 Unscaled step for mode   96=        0.0000002224
 Unscaled step for mode   97=       -0.0000006508
 Unscaled step for mode   98=        0.0000005214
 Unscaled step for mode   99=        0.0000017174
 Unscaled step for mode  100=        0.0000006306
 Unscaled step for mode  101=       -0.0000032545
 Unscaled step for mode  102=       -0.0000022646
 Unscaled step for mode  103=        0.0000006941
 Unscaled step for mode  104=       -0.0000015569
 Unscaled step for mode  105=       -0.0000014422
 Unscaled step for mode  106=       -0.0000000209
 Unscaled step for mode  107=       -0.0000061132
 Unscaled step for mode  108=        0.0000039165
 Unscaled step for mode  109=        0.0000054118
 Unscaled step for mode  110=       -0.0000099135
 Unscaled step for mode  111=       -0.0001111612
 Unscaled step for mode  112=       -0.0000006448
 Unscaled step for mode  113=       -0.0012318297
 Unscaled step for mode  114=       -0.0801051115
 Largest modulus ratio of non-zero e/values=           152.3147102    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.406576E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.172822E-15    0.100749E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.229496E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.120672E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.447125E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.667923E-15    0.973646E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.793915E-06    0.724286E+03  0.109613E-08 0.100000E-04    0.981379E+00
   8   -0.194695E-05    0.671875E+03  0.289778E-08 0.100000E-04    0.985551E+00
   9    0.772777E-06    0.624915E+03 -0.123661E-08 0.100000E-04    0.993767E+00
  10    0.156389E-05    0.604293E+03 -0.258797E-08 0.100000E-04    0.995985E+00
  11   -0.106676E-05    0.589468E+03  0.180969E-08 0.100000E-04    0.999834E+00
  12    0.325873E-05    0.565774E+03 -0.575977E-08 0.100000E-04    0.998543E+00
  13   -0.182162E-06    0.564589E+03  0.322645E-09 0.100000E-04    0.481400E+00
  14   -0.553991E-05    0.479537E+03  0.115526E-07 0.100000E-04    0.997358E+00
  15    0.182987E-05    0.468488E+03 -0.390590E-08 0.100000E-04    0.994436E+00
  16    0.260279E-05    0.462529E+03 -0.562730E-08 0.100000E-04    0.994054E+00
  17    0.228923E-05    0.441357E+03 -0.518681E-08 0.100000E-04    0.997010E+00
  18    0.416682E-05    0.430920E+03 -0.966960E-08 0.100000E-04    0.996337E+00
  19    0.976163E-05    0.420974E+03 -0.231882E-07 0.100000E-04    0.995902E+00
  20    0.890398E-05    0.406554E+03 -0.219011E-07 0.100000E-04    0.999546E+00
  21    0.630337E-05    0.398069E+03 -0.158349E-07 0.100000E-04    0.997618E+00
  22    0.154741E-05    0.388683E+03 -0.398117E-08 0.100000E-04    0.982672E+00
  23   -0.142944E-05    0.367136E+03  0.389348E-08 0.100000E-04    0.989920E+00
  24    0.156108E-05    0.363141E+03 -0.429882E-08 0.100000E-04    0.994094E+00
  25   -0.119826E-04    0.351974E+03  0.340441E-07 0.100000E-04    0.995163E+00
  26   -0.193111E-04    0.340468E+03  0.567192E-07 0.100000E-04    0.994777E+00
  27   -0.963399E-05    0.324602E+03  0.296794E-07 0.100000E-04    0.994555E+00
  28   -0.155585E-05    0.321806E+03  0.483475E-08 0.100000E-04    0.951109E+00
  29   -0.196883E-05    0.318571E+03  0.618019E-08 0.100000E-04    0.956784E+00
  30   -0.165153E-04    0.316680E+03  0.521513E-07 0.100000E-04    0.992935E+00
  31   -0.460774E-05    0.305107E+03  0.151021E-07 0.100000E-04    0.987623E+00
  32   -0.172286E-05    0.287584E+03  0.599079E-08 0.100000E-04    0.987677E+00
  33    0.638398E-05    0.279588E+03 -0.228335E-07 0.100000E-04    0.996089E+00
  34    0.350045E-05    0.271053E+03 -0.129143E-07 0.100000E-04    0.994588E+00
  35    0.178389E-04    0.265863E+03 -0.670981E-07 0.100000E-04    0.995315E+00
  36    0.541581E-05    0.262838E+03 -0.206051E-07 0.100000E-04    0.989044E+00
  37   -0.893568E-05    0.258073E+03  0.346246E-07 0.100000E-04    0.993456E+00
  38   -0.368372E-05    0.253546E+03  0.145288E-07 0.100000E-04    0.996282E+00
  39   -0.130359E-04    0.243126E+03  0.536177E-07 0.100000E-04    0.996554E+00
  40    0.903521E-05    0.238465E+03 -0.378890E-07 0.100000E-04    0.993010E+00
  41    0.123687E-04    0.235152E+03 -0.525988E-07 0.100000E-04    0.988843E+00
  42   -0.453029E-05    0.228674E+03  0.198111E-07 0.100000E-04    0.991608E+00
  43    0.422803E-05    0.223182E+03 -0.189443E-07 0.100000E-04    0.987786E+00
  44   -0.794615E-05    0.212767E+03  0.373468E-07 0.100000E-04    0.984402E+00
  45    0.349550E-05    0.211549E+03 -0.165234E-07 0.100000E-04    0.991470E+00
  46    0.101595E-04    0.208887E+03 -0.486365E-07 0.100000E-04    0.991289E+00
  47   -0.203489E-04    0.203135E+03  0.100174E-06 0.100000E-04    0.994180E+00
  48    0.502589E-06    0.198222E+03 -0.253548E-08 0.100000E-04    0.943169E+00
  49   -0.122006E-04    0.195511E+03  0.624038E-07 0.100000E-04    0.992247E+00
  50   -0.739015E-05    0.191611E+03  0.385685E-07 0.100000E-04    0.999727E+00
  51   -0.819892E-05    0.185787E+03  0.441307E-07 0.100000E-04    0.992328E+00
  52   -0.417463E-07    0.177012E+03  0.235839E-09 0.100000E-04    0.471139E+00
  53   -0.758097E-05    0.170974E+03  0.443400E-07 0.100000E-04    0.995178E+00
  54    0.587667E-05    0.167907E+03 -0.349996E-07 0.100000E-04    0.988462E+00
  55   -0.147887E-04    0.165638E+03  0.892834E-07 0.100000E-04    0.995578E+00
  56   -0.495346E-05    0.160241E+03  0.309126E-07 0.100000E-04    0.999340E+00
  57   -0.325526E-05    0.153494E+03  0.212077E-07 0.100000E-04    0.990058E+00
  58    0.128156E-04    0.150974E+03 -0.848861E-07 0.100000E-04    0.994363E+00
  59    0.663096E-05    0.149043E+03 -0.444902E-07 0.100000E-04    0.997702E+00
  60   -0.132565E-04    0.142863E+03  0.927922E-07 0.100000E-04    0.993351E+00
  61    0.109409E-04    0.136943E+03 -0.798936E-07 0.100000E-04    0.994620E+00
  62    0.262484E-04    0.135112E+03 -0.194271E-06 0.100000E-04    0.997304E+00
  63   -0.175326E-04    0.130917E+03  0.133922E-06 0.100000E-04    0.997746E+00
  64    0.690501E-05    0.127661E+03 -0.540884E-07 0.100000E-04    0.987063E+00
  65   -0.397982E-07    0.125977E+03  0.315915E-09 0.100000E-04    0.637144E+00
  66    0.198432E-04    0.125102E+03 -0.158616E-06 0.100000E-04    0.996704E+00
  67   -0.180697E-05    0.119484E+03  0.151232E-07 0.100000E-04    0.982482E+00
  68   -0.590766E-05    0.117954E+03  0.500845E-07 0.100000E-04    0.995326E+00
  69   -0.145212E-05    0.116673E+03  0.124460E-07 0.100000E-04    0.987918E+00
  70    0.124606E-04    0.112045E+03 -0.111211E-06 0.100000E-04    0.990901E+00
  71   -0.138931E-05    0.109429E+03  0.126961E-07 0.100000E-04    0.983707E+00
  72    0.275831E-04    0.105261E+03 -0.262044E-06 0.100000E-04    0.995135E+00
  73   -0.131601E-04    0.102889E+03  0.127906E-06 0.100000E-04    0.991636E+00
  74   -0.266295E-04    0.100169E+03  0.265846E-06 0.100000E-04    0.998134E+00
  75   -0.257538E-04    0.969943E+02  0.265519E-06 0.100000E-04    0.990752E+00
  76    0.245025E-04    0.951083E+02 -0.257628E-06 0.100000E-04    0.995433E+00
  77    0.478578E-04    0.911932E+02 -0.524796E-06 0.100000E-04    0.994154E+00
  78    0.309194E-05    0.908228E+02 -0.340437E-07 0.100000E-04    0.970389E+00
  79    0.307138E-04    0.890818E+02 -0.344782E-06 0.100000E-04    0.996360E+00
  80    0.130232E-04    0.845987E+02 -0.153941E-06 0.100000E-04    0.993123E+00
  81    0.134035E-04    0.808947E+02 -0.165690E-06 0.100000E-04    0.996044E+00
  82    0.142898E-04    0.793764E+02 -0.180026E-06 0.100000E-04    0.995057E+00
  83    0.105384E-04    0.785370E+02 -0.134184E-06 0.100000E-04    0.992390E+00
  84    0.193461E-04    0.728170E+02 -0.265681E-06 0.100000E-04    0.995139E+00
  85   -0.307811E-04    0.715950E+02  0.429934E-06 0.100000E-04    0.997192E+00
  86    0.348320E-04    0.686622E+02 -0.507295E-06 0.100000E-04    0.999885E+00
  87    0.733365E-05    0.678652E+02 -0.108062E-06 0.100000E-04    0.949100E+00
  88   -0.149654E-05    0.634051E+02  0.236028E-07 0.100000E-04    0.979903E+00
  89   -0.355090E-04    0.616133E+02  0.576320E-06 0.100000E-04    0.995879E+00
  90   -0.170071E-04    0.596521E+02  0.285104E-06 0.100000E-04    0.998383E+00
  91    0.467915E-06    0.588124E+02 -0.795606E-08 0.100000E-04    0.988523E+00
  92   -0.427701E-04    0.558749E+02  0.765462E-06 0.100000E-04    0.994481E+00
  93    0.381913E-04    0.533963E+02 -0.715243E-06 0.100000E-04    0.999513E+00
  94   -0.259668E-04    0.522323E+02  0.497141E-06 0.100000E-04    0.995919E+00
  95    0.342669E-04    0.502728E+02 -0.681619E-06 0.100000E-04    0.998813E+00
  96   -0.106609E-04    0.479414E+02  0.222375E-06 0.100000E-04    0.995136E+00
  97    0.281745E-04    0.432925E+02 -0.650794E-06 0.100000E-04    0.997505E+00
  98   -0.208731E-04    0.400311E+02  0.521423E-06 0.100000E-04    0.994748E+00
  99   -0.636047E-04    0.370364E+02  0.171736E-05 0.100000E-04    0.992920E+00
 100   -0.227510E-04    0.360760E+02  0.630641E-06 0.100000E-04    0.986017E+00
 101    0.115056E-03    0.353529E+02 -0.325448E-05 0.100000E-04    0.998583E+00
 102    0.655717E-04    0.289554E+02 -0.226457E-05 0.100000E-04    0.998290E+00
 103   -0.199812E-04    0.287873E+02  0.694099E-06 0.100000E-04    0.953426E+00
 104    0.446763E-04    0.286957E+02 -0.155690E-05 0.100000E-04    0.993107E+00
 105    0.332764E-04    0.230729E+02 -0.144223E-05 0.100000E-04    0.994327E+00
 106    0.459412E-06    0.219342E+02 -0.209450E-07 0.100000E-04    0.634693E+00
 107    0.120618E-03    0.197307E+02 -0.611321E-05 0.100000E-04    0.998525E+00
 108   -0.657370E-04    0.167847E+02  0.391648E-05 0.100000E-04    0.995296E+00
 109   -0.746028E-04    0.137851E+02  0.541184E-05 0.100000E-04    0.998762E+00
 110    0.122764E-03    0.123835E+02 -0.991353E-05 0.100000E-04    0.996116E+00
 111    0.118110E-02    0.106251E+02 -0.100000E-04 0.100000E-04    0.692723E+00
 112    0.616254E-05    0.955709E+01 -0.644813E-06 0.100000E-04    0.948402E+00
 113    0.936165E-02    0.759978E+01 -0.135912E-04 0.135912E-04    0.190660E+00
 114   -0.383375E+00    0.475519E+01 -0.400000E-03 0.400000E-03    0.231267E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8010511151E-01

 Beginning of optimization cycle  181.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3875457809
 potential> RMS force:                                               0.0360950553   |gradient|=.3853897297    
 Eigenvalues of the Hessian matrix:
   724.34621    671.88896    624.93149    604.30013    589.46231    565.79895 
   564.62267    479.55673    468.46546    462.51970    441.35543    430.91039 
   420.98156    406.56513    398.06494    388.68588    367.13920    363.13153 
   351.96600    340.43151    324.60823    321.79988    318.58423    316.65765 
   305.10251    287.58863    279.58332    271.04762    265.86636    262.84821 
   258.08040    253.54825    243.11734    238.45202    235.16306    228.67528 
   223.16246    212.77027    211.55390    208.87407    203.13802    198.21835 
   195.51204    191.61075    185.77788    176.99765    170.97858    167.90285 
   165.63594    160.23503    153.49413    150.97301    149.04675    142.86585 
   136.94343    135.11751    130.91522    127.66178    125.97988    125.10799 
   119.48490    117.95429    116.67634    112.03790    109.41795    105.25747 
   102.89043    100.16520     96.98931     95.10890     91.20221     90.81712 
    89.09233     84.60068     80.89502     79.37989     78.53497     72.81496 
    71.59847     68.65349     67.86549     63.40452     61.60392     59.65215 
    58.81499     55.87599     53.39238     52.23190     50.27187     47.94001 
    43.28832     40.03358     37.03438     36.07058     35.36013     28.95281 
    28.78396     28.69164     23.06950     21.93380     19.73396     16.78577 
    13.78461     12.38178     10.61278      9.55860      7.59916      4.75334 
overlap for current and previous eigenvector    109 is         0.9999986721
overlap for current and previous eigenvector    110 is         0.9999982715
overlap for current and previous eigenvector    111 is         0.9999939268
overlap for current and previous eigenvector    112 is         0.9999968610
overlap for current and previous eigenvector    113 is         0.9999986289
overlap for current and previous eigenvector    114 is         0.9999995466
J1,K1,R1,R2,RAT=   7   7   -0.1770709179E-01     2.017540825        0.9822929082    
FOB,PFOB,DIAG,PSTEP=   -0.8079740229E-06   -0.7939149296E-06     724.3462090        0.1096134592E-08
J1,K1,R1,R2,RAT=   8   8   -0.1474241247E-01     2.014701209        0.9852575875    
FOB,PFOB,DIAG,PSTEP=   -0.1975652674E-05   -0.1946949352E-05     671.8889630        0.2897784561E-08
J1,K1,R1,R2,RAT=   9   9   -0.5841386286E-02     2.005789327        0.9941586137    
FOB,PFOB,DIAG,PSTEP=    0.7772912452E-06    0.7727770385E-06     624.9314938       -0.1236610991E-08
J1,K1,R1,R2,RAT=  10  10    0.4269828621E-02     1.995706565        0.9957065646    
FOB,PFOB,DIAG,PSTEP=    0.1557211616E-05    0.1563889234E-05     604.3001266       -0.2587965192E-08
J1,K1,R1,R2,RAT=  11  11    0.7494074174E-03     1.999269012        0.9992505926    
FOB,PFOB,DIAG,PSTEP=   -0.1065956090E-05   -0.1066755517E-05     589.4623149        0.1809692775E-08
J1,K1,R1,R2,RAT= 109 109   -0.1351898527E-02     2.001424772        0.9986481015    
FOB,PFOB,DIAG,PSTEP=   -0.7470365050E-04   -0.7460279876E-04     13.78461306        0.5411837112E-05
J1,K1,R1,R2,RAT= 110 110   -0.3082388500E-02     2.003360635        0.9969176115    
FOB,PFOB,DIAG,PSTEP=    0.1231425711E-03    0.1227642168E-03     12.38178483       -0.9913525511E-05
J1,K1,R1,R2,RAT= 111 111   -0.3182673135         22.57636476        0.6817326865    
FOB,PFOB,DIAG,PSTEP=    0.1214878889E-02    0.1181101867E-02     10.61278368       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.5923947341E-01     2.058923995        0.9407605266    
FOB,PFOB,DIAG,PSTEP=    0.6527665554E-05    0.6162542205E-05     9.558600868       -0.6448134532E-06
J1,K1,R1,R2,RAT= 113 113   -0.6606280579         181.9440685        0.3393719421    
FOB,PFOB,DIAG,PSTEP=    0.9429884572E-02    0.9361653618E-02     7.599161732       -0.1359122936E-04
J1,K1,R1,R2,RAT= 114 114    0.9976764754        -404.2673788        0.2323524635E-02
FOB,PFOB,DIAG,PSTEP=   -0.3852723149       -0.3833753977         4.753337475       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00001     -0.00000     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00003     -0.00002     -0.00001      0.00000      0.00002 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00000      0.00003 
    -0.00001     -0.00003     -0.00003      0.00002      0.00005     -0.00000 
     0.00003      0.00001      0.00001      0.00001      0.00001      0.00002 
    -0.00003      0.00003      0.00001     -0.00000     -0.00004     -0.00002 
     0.00000     -0.00004      0.00004     -0.00003      0.00003     -0.00001 
     0.00003     -0.00002     -0.00006     -0.00002      0.00012      0.00007 
    -0.00002      0.00004      0.00003      0.00000      0.00012     -0.00007 
    -0.00007      0.00012      0.00121      0.00001      0.00943     -0.38527 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386504160
 Log product of positive Hessian eigenvalues =          520.2764912048
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7533374754
 Unscaled step for mode    7=        0.0000000011
 Unscaled step for mode    8=        0.0000000029
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=        0.0000000004
 Unscaled step for mode   14=        0.0000000115
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000057
 Unscaled step for mode   17=       -0.0000000052
 Unscaled step for mode   18=       -0.0000000097
 Unscaled step for mode   19=       -0.0000000233
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000159
 Unscaled step for mode   22=       -0.0000000041
 Unscaled step for mode   23=        0.0000000039
 Unscaled step for mode   24=       -0.0000000043
 Unscaled step for mode   25=        0.0000000342
 Unscaled step for mode   26=        0.0000000570
 Unscaled step for mode   27=        0.0000000298
 Unscaled step for mode   28=        0.0000000046
 Unscaled step for mode   29=        0.0000000059
 Unscaled step for mode   30=        0.0000000525
 Unscaled step for mode   31=        0.0000000153
 Unscaled step for mode   32=        0.0000000061
 Unscaled step for mode   33=       -0.0000000229
 Unscaled step for mode   34=       -0.0000000130
 Unscaled step for mode   35=       -0.0000000674
 Unscaled step for mode   36=       -0.0000000208
 Unscaled step for mode   37=        0.0000000348
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000538
 Unscaled step for mode   40=       -0.0000000382
 Unscaled step for mode   41=       -0.0000000532
 Unscaled step for mode   42=        0.0000000200
 Unscaled step for mode   43=       -0.0000000192
 Unscaled step for mode   44=        0.0000000379
 Unscaled step for mode   45=       -0.0000000164
 Unscaled step for mode   46=       -0.0000000491
 Unscaled step for mode   47=        0.0000001008
 Unscaled step for mode   48=       -0.0000000027
 Unscaled step for mode   49=        0.0000000629
 Unscaled step for mode   50=        0.0000000385
 Unscaled step for mode   51=        0.0000000445
 Unscaled step for mode   52=        0.0000000003
 Unscaled step for mode   53=        0.0000000445
 Unscaled step for mode   54=       -0.0000000354
 Unscaled step for mode   55=        0.0000000897
 Unscaled step for mode   56=        0.0000000309
 Unscaled step for mode   57=        0.0000000214
 Unscaled step for mode   58=       -0.0000000854
 Unscaled step for mode   59=       -0.0000000446
 Unscaled step for mode   60=        0.0000000934
 Unscaled step for mode   61=       -0.0000000803
 Unscaled step for mode   62=       -0.0000001948
 Unscaled step for mode   63=        0.0000001342
 Unscaled step for mode   64=        0.0000000548
 Unscaled step for mode   65=       -0.0000000001
 Unscaled step for mode   66=       -0.0000001591
 Unscaled step for mode   67=        0.0000000154
 Unscaled step for mode   68=        0.0000000503
 Unscaled step for mode   69=        0.0000000126
 Unscaled step for mode   70=       -0.0000001123
 Unscaled step for mode   71=        0.0000000129
 Unscaled step for mode   72=       -0.0000002633
 Unscaled step for mode   73=        0.0000001290
 Unscaled step for mode   74=        0.0000002663
 Unscaled step for mode   75=        0.0000002680
 Unscaled step for mode   76=       -0.0000002588
 Unscaled step for mode   77=       -0.0000005278
 Unscaled step for mode   78=        0.0000000331
 Unscaled step for mode   79=       -0.0000003435
 Unscaled step for mode   80=       -0.0000001550
 Unscaled step for mode   81=       -0.0000001663
 Unscaled step for mode   82=       -0.0000001791
 Unscaled step for mode   83=       -0.0000001352
 Unscaled step for mode   84=       -0.0000002669
 Unscaled step for mode   85=        0.0000004310
 Unscaled step for mode   86=       -0.0000005073
 Unscaled step for mode   87=       -0.0000001133
 Unscaled step for mode   88=        0.0000000230
 Unscaled step for mode   89=        0.0000005786
 Unscaled step for mode   90=        0.0000002854
 Unscaled step for mode   91=       -0.0000000081
 Unscaled step for mode   92=        0.0000007697
 Unscaled step for mode   93=       -0.0000007149
 Unscaled step for mode   94=        0.0000004992
 Unscaled step for mode   95=       -0.0000006808
 Unscaled step for mode   96=        0.0000002235
 Unscaled step for mode   97=       -0.0000006521
 Unscaled step for mode   98=        0.0000005241
 Unscaled step for mode   99=        0.0000017290
 Unscaled step for mode  100=        0.0000006223
 Unscaled step for mode  101=       -0.0000032580
 Unscaled step for mode  102=       -0.0000022680
 Unscaled step for mode  103=        0.0000007265
 Unscaled step for mode  104=       -0.0000015448
 Unscaled step for mode  105=       -0.0000014494
 Unscaled step for mode  106=       -0.0000000077
 Unscaled step for mode  107=       -0.0000061202
 Unscaled step for mode  108=        0.0000038999
 Unscaled step for mode  109=        0.0000054194
 Unscaled step for mode  110=       -0.0000099455
 Unscaled step for mode  111=       -0.0001144732
 Unscaled step for mode  112=       -0.0000006829
 Unscaled step for mode  113=       -0.0012409092
 Unscaled step for mode  114=       -0.0805274095
 Largest modulus ratio of non-zero e/values=           152.3868677    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.219876E-15    0.101886E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.277556E-16    0.100749E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.341144E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.977950E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.237921E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.166479E-15    0.973648E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.807974E-06    0.724346E+03  0.111545E-08 0.100000E-04    0.982293E+00
   8   -0.197565E-05    0.671889E+03  0.294045E-08 0.100000E-04    0.985258E+00
   9    0.777291E-06    0.624931E+03 -0.124380E-08 0.100000E-04    0.994159E+00
  10    0.155721E-05    0.604300E+03 -0.257688E-08 0.100000E-04    0.995707E+00
  11   -0.106596E-05    0.589462E+03  0.180835E-08 0.100000E-04    0.999251E+00
  12    0.325311E-05    0.565799E+03 -0.574959E-08 0.100000E-04    0.998189E+00
  13   -0.245697E-06    0.564623E+03  0.435153E-09 0.100000E-04    0.651238E+00
  14   -0.552577E-05    0.479557E+03  0.115227E-07 0.100000E-04    0.997365E+00
  15    0.184063E-05    0.468465E+03 -0.392905E-08 0.100000E-04    0.994121E+00
  16    0.261803E-05    0.462520E+03 -0.566037E-08 0.100000E-04    0.994145E+00
  17    0.229509E-05    0.441355E+03 -0.520009E-08 0.100000E-04    0.997443E+00
  18    0.418098E-05    0.430910E+03 -0.970266E-08 0.100000E-04    0.996602E+00
  19    0.980132E-05    0.420982E+03 -0.232821E-07 0.100000E-04    0.995934E+00
  20    0.889856E-05    0.406565E+03 -0.218872E-07 0.100000E-04    0.999338E+00
  21    0.631671E-05    0.398065E+03 -0.158685E-07 0.100000E-04    0.997883E+00
  22    0.157457E-05    0.388686E+03 -0.405100E-08 0.100000E-04    0.982451E+00
  23   -0.141394E-05    0.367139E+03  0.385123E-08 0.100000E-04    0.989139E+00
  24    0.155018E-05    0.363132E+03 -0.426892E-08 0.100000E-04    0.993017E+00
  25   -0.120410E-04    0.351966E+03  0.342106E-07 0.100000E-04    0.995133E+00
  26   -0.194099E-04    0.340432E+03  0.570155E-07 0.100000E-04    0.994883E+00
  27   -0.968602E-05    0.324608E+03  0.298391E-07 0.100000E-04    0.994600E+00
  28   -0.147787E-05    0.321800E+03  0.459251E-08 0.100000E-04    0.949876E+00
  29   -0.188391E-05    0.318584E+03  0.591339E-08 0.100000E-04    0.956789E+00
  30   -0.166311E-04    0.316658E+03  0.525207E-07 0.100000E-04    0.992989E+00
  31   -0.466486E-05    0.305103E+03  0.152895E-07 0.100000E-04    0.987603E+00
  32   -0.174384E-05    0.287589E+03  0.606368E-08 0.100000E-04    0.987818E+00
  33    0.640796E-05    0.279583E+03 -0.229197E-07 0.100000E-04    0.996245E+00
  34    0.351666E-05    0.271048E+03 -0.129743E-07 0.100000E-04    0.995368E+00
  35    0.179248E-04    0.265866E+03 -0.674204E-07 0.100000E-04    0.995184E+00
  36    0.547491E-05    0.262848E+03 -0.208292E-07 0.100000E-04    0.989088E+00
  37   -0.899283E-05    0.258080E+03  0.348451E-07 0.100000E-04    0.993605E+00
  38   -0.369706E-05    0.253548E+03  0.145813E-07 0.100000E-04    0.996379E+00
  39   -0.130796E-04    0.243117E+03  0.537996E-07 0.100000E-04    0.996643E+00
  40    0.909856E-05    0.238452E+03 -0.381568E-07 0.100000E-04    0.992988E+00
  41    0.125077E-04    0.235163E+03 -0.531873E-07 0.100000E-04    0.988763E+00
  42   -0.457145E-05    0.228675E+03  0.199910E-07 0.100000E-04    0.990913E+00
  43    0.428186E-05    0.223162E+03 -0.191872E-07 0.100000E-04    0.987268E+00
  44   -0.807254E-05    0.212770E+03  0.379401E-07 0.100000E-04    0.984095E+00
  45    0.346337E-05    0.211554E+03 -0.163711E-07 0.100000E-04    0.990760E+00
  46    0.102483E-04    0.208874E+03 -0.490646E-07 0.100000E-04    0.991260E+00
  47   -0.204670E-04    0.203138E+03  0.100754E-06 0.100000E-04    0.994193E+00
  48    0.529762E-06    0.198218E+03 -0.267262E-08 0.100000E-04    0.945933E+00
  49   -0.122954E-04    0.195512E+03  0.628882E-07 0.100000E-04    0.992233E+00
  50   -0.738294E-05    0.191611E+03  0.385309E-07 0.100000E-04    0.999024E+00
  51   -0.826286E-05    0.185778E+03  0.444771E-07 0.100000E-04    0.992201E+00
  52   -0.572979E-07    0.176998E+03  0.323721E-09 0.100000E-04    0.627444E+00
  53   -0.761606E-05    0.170979E+03  0.445439E-07 0.100000E-04    0.995372E+00
  54    0.594463E-05    0.167903E+03 -0.354052E-07 0.100000E-04    0.988435E+00
  55   -0.148551E-04    0.165636E+03  0.896855E-07 0.100000E-04    0.995506E+00
  56   -0.495601E-05    0.160235E+03  0.309296E-07 0.100000E-04    0.999487E+00
  57   -0.328701E-05    0.153494E+03  0.214146E-07 0.100000E-04    0.990244E+00
  58    0.128877E-04    0.150973E+03 -0.853645E-07 0.100000E-04    0.994371E+00
  59    0.664530E-05    0.149047E+03 -0.445853E-07 0.100000E-04    0.997837E+00
  60   -0.133436E-04    0.142866E+03  0.933993E-07 0.100000E-04    0.993435E+00
  61    0.109961E-04    0.136943E+03 -0.802968E-07 0.100000E-04    0.994950E+00
  62    0.263174E-04    0.135118E+03 -0.194774E-06 0.100000E-04    0.997370E+00
  63   -0.175670E-04    0.130915E+03  0.134186E-06 0.100000E-04    0.998041E+00
  64   -0.699224E-05    0.127662E+03  0.547716E-07 0.100000E-04    0.987367E+00
  65    0.167617E-07    0.125980E+03 -0.133051E-09 0.100000E-04    0.421140E+00
  66    0.199073E-04    0.125108E+03 -0.159121E-06 0.100000E-04    0.996770E+00
  67   -0.184122E-05    0.119485E+03  0.154096E-07 0.100000E-04    0.981050E+00
  68   -0.593562E-05    0.117954E+03  0.503213E-07 0.100000E-04    0.995268E+00
  69   -0.146851E-05    0.116676E+03  0.125862E-07 0.100000E-04    0.988714E+00
  70    0.125776E-04    0.112038E+03 -0.112262E-06 0.100000E-04    0.990612E+00
  71   -0.141205E-05    0.109418E+03  0.129051E-07 0.100000E-04    0.983629E+00
  72    0.277125E-04    0.105257E+03 -0.263283E-06 0.100000E-04    0.995309E+00
  73   -0.132708E-04    0.102890E+03  0.128980E-06 0.100000E-04    0.991590E+00
  74   -0.266746E-04    0.100165E+03  0.266306E-06 0.100000E-04    0.998308E+00
  75   -0.259901E-04    0.969893E+02  0.267969E-06 0.100000E-04    0.990824E+00
  76    0.246145E-04    0.951089E+02 -0.258803E-06 0.100000E-04    0.995431E+00
  77    0.481340E-04    0.912022E+02 -0.527773E-06 0.100000E-04    0.994229E+00
  78   -0.300356E-05    0.908171E+02  0.330727E-07 0.100000E-04    0.971414E+00
  79    0.306050E-04    0.890923E+02 -0.343520E-06 0.100000E-04    0.996221E+00
  80    0.131125E-04    0.846007E+02 -0.154993E-06 0.100000E-04    0.993139E+00
  81    0.134565E-04    0.808950E+02 -0.166345E-06 0.100000E-04    0.996047E+00
  82    0.142173E-04    0.793799E+02 -0.179105E-06 0.100000E-04    0.994840E+00
  83    0.106197E-04    0.785350E+02 -0.135222E-06 0.100000E-04    0.992291E+00
  84    0.194356E-04    0.728150E+02 -0.266918E-06 0.100000E-04    0.995372E+00
  85   -0.308619E-04    0.715985E+02  0.431041E-06 0.100000E-04    0.997378E+00
  86    0.348289E-04    0.686535E+02 -0.507315E-06 0.100000E-04    0.999911E+00
  87    0.769203E-05    0.678655E+02 -0.113342E-06 0.100000E-04    0.951133E+00
  88   -0.146109E-05    0.634045E+02  0.230440E-07 0.100000E-04    0.976313E+00
  89   -0.356439E-04    0.616039E+02  0.578598E-06 0.100000E-04    0.996199E+00
  90   -0.170230E-04    0.596521E+02  0.285371E-06 0.100000E-04    0.999062E+00
  91    0.475141E-06    0.588150E+02 -0.807856E-08 0.100000E-04    0.984558E+00
  92   -0.430098E-04    0.558760E+02  0.769737E-06 0.100000E-04    0.994395E+00
  93    0.381682E-04    0.533924E+02 -0.714862E-06 0.100000E-04    0.999393E+00
  94   -0.260734E-04    0.522319E+02  0.499185E-06 0.100000E-04    0.995896E+00
  95    0.342234E-04    0.502719E+02 -0.680767E-06 0.100000E-04    0.998732E+00
  96   -0.107150E-04    0.479400E+02  0.223509E-06 0.100000E-04    0.994929E+00
  97    0.282282E-04    0.432883E+02 -0.652097E-06 0.100000E-04    0.998093E+00
  98   -0.209825E-04    0.400336E+02  0.524121E-06 0.100000E-04    0.994763E+00
  99   -0.640307E-04    0.370344E+02  0.172895E-05 0.100000E-04    0.993303E+00
 100   -0.224467E-04    0.360706E+02  0.622300E-06 0.100000E-04    0.986624E+00
 101    0.115203E-03    0.353601E+02 -0.325798E-05 0.100000E-04    0.998722E+00
 102    0.656646E-04    0.289528E+02 -0.226799E-05 0.100000E-04    0.998584E+00
 103   -0.209118E-04    0.287840E+02  0.726510E-06 0.100000E-04    0.953420E+00
 104    0.443225E-04    0.286916E+02 -0.154479E-05 0.100000E-04    0.992081E+00
 105    0.334367E-04    0.230695E+02 -0.144939E-05 0.100000E-04    0.995184E+00
 106    0.169207E-06    0.219338E+02 -0.771444E-08 0.100000E-04    0.368300E+00
 107    0.120775E-03    0.197340E+02 -0.612018E-05 0.100000E-04    0.998694E+00
 108   -0.654636E-04    0.167858E+02  0.389995E-05 0.100000E-04    0.995719E+00
 109   -0.747037E-04    0.137846E+02  0.541935E-05 0.100000E-04    0.998648E+00
 110    0.123143E-03    0.123818E+02 -0.994546E-05 0.100000E-04    0.996918E+00
 111    0.121488E-02    0.106128E+02 -0.100000E-04 0.100000E-04    0.681733E+00
 112    0.652767E-05    0.955860E+01 -0.682910E-06 0.100000E-04    0.940761E+00
 113    0.942988E-02    0.759916E+01 -0.122444E-04 0.122444E-04    0.339372E+00
 114   -0.385272E+00    0.475334E+01 -0.400000E-03 0.400000E-03    0.232352E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8052740953E-01

 Beginning of optimization cycle  182.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3873914201
 potential> RMS force:                                               0.0362727817   |gradient|=.3872873284    
 Eigenvalues of the Hessian matrix:
   724.40649    671.90288    624.94775    604.30701    589.45695    565.82367 
   564.65566    479.57644    468.44258    462.50999    441.35432    430.90108 
   420.98890    406.57588    398.06090    388.68880    367.14252    363.12162 
   351.95791    340.39513    324.61471    321.79367    318.59717    316.63472 
   305.09810    287.59319    279.57826    271.04256    265.86962    262.85819 
   258.08743    253.55072    243.10866    238.43889    235.17429    228.67662 
   223.14308    212.77396    211.55879    208.86114    203.14128    198.21439 
   195.51269    191.61064    185.76860    176.98357    170.98347    167.89912 
   165.63421    160.22904    153.49398    150.97216    149.05047    142.86907 
   136.94382    135.12292    130.91374    127.66211    125.98229    125.11373 
   119.48614    117.95472    116.67938    112.03054    109.40726    105.25383 
   102.89177    100.16134     96.98431     95.10951     91.21127     90.81147 
    89.10280     84.60270     80.89530     79.38335     78.53290     72.81299 
    71.60196     68.64489     67.86572     63.40396     61.59457     59.65216 
    58.81763     55.87714     53.38843     52.23156     50.27095     47.93868 
    43.28418     40.03603     37.03244     36.06518     35.36736     28.95027 
    28.78088     28.68728     23.06607     21.93333     19.73730     16.78678 
    13.78412     12.38007     10.60046      9.56009      7.59853      4.75146 
overlap for current and previous eigenvector    109 is         0.9999986894
overlap for current and previous eigenvector    110 is         0.9999983000
overlap for current and previous eigenvector    111 is         0.9999938278
overlap for current and previous eigenvector    112 is         0.9999967156
overlap for current and previous eigenvector    113 is         0.9999986125
overlap for current and previous eigenvector    114 is         0.9999995492
J1,K1,R1,R2,RAT=   7   7   -0.2158141835E-01     2.021415001        0.9784185816    
FOB,PFOB,DIAG,PSTEP=   -0.8254126994E-06   -0.8079740229E-06     724.4064858        0.1115452822E-08
J1,K1,R1,R2,RAT=   8   8   -0.1249312693E-02     2.001207888        0.9987506873    
FOB,PFOB,DIAG,PSTEP=   -0.1978120933E-05   -0.1975652674E-05     671.9028797        0.2940445197E-08
J1,K1,R1,R2,RAT=   9   9    0.8511699897E-02     1.991436282        0.9914362822    
FOB,PFOB,DIAG,PSTEP=    0.7706750033E-06    0.7772912452E-06     624.9477481       -0.1243802325E-08
J1,K1,R1,R2,RAT=  10  10   -0.8315812738E-02     2.008293028        0.9916841873    
FOB,PFOB,DIAG,PSTEP=    0.1570161244E-05    0.1557211616E-05     604.3070110       -0.2576884478E-08
J1,K1,R1,R2,RAT=  11  11   -0.3956512183E-02     2.003974730        0.9960434878    
FOB,PFOB,DIAG,PSTEP=   -0.1070173519E-05   -0.1065956090E-05     589.4569456        0.1808353244E-08
J1,K1,R1,R2,RAT= 109 109   -0.3768050055E-03     2.000447828        0.9996231950    
FOB,PFOB,DIAG,PSTEP=   -0.7473179821E-04   -0.7470365050E-04     13.78412357        0.5419350558E-05
J1,K1,R1,R2,RAT= 110 110   -0.1058691127E-01     2.010863580        0.9894130887    
FOB,PFOB,DIAG,PSTEP=    0.1244460903E-03    0.1231425711E-03     12.38007225       -0.9945462047E-05
J1,K1,R1,R2,RAT= 111 111   -0.3159258998         23.23718472        0.6840741002    
FOB,PFOB,DIAG,PSTEP=    0.1248368472E-02    0.1214878889E-02     10.60045522       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.4828361433E-01     1.951404878        0.9514048776    
FOB,PFOB,DIAG,PSTEP=    0.6212437170E-05    0.6527665554E-05     9.560089890       -0.6829101502E-06
J1,K1,R1,R2,RAT= 113 113   -0.8412829597         203.5492143        0.1587170403    
FOB,PFOB,DIAG,PSTEP=    0.9508156805E-02    0.9429884572E-02     7.598534999       -0.1224435077E-04
J1,K1,R1,R2,RAT= 114 114    0.9976684025        -406.4229162        0.2331597461E-02
FOB,PFOB,DIAG,PSTEP=   -0.3871684672       -0.3852723149         4.751459326       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00001     -0.00000     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00003     -0.00002     -0.00001      0.00000      0.00002 
    -0.00000      0.00001     -0.00000      0.00001     -0.00000      0.00003 
    -0.00001     -0.00003     -0.00003      0.00002     -0.00005     -0.00000 
     0.00003      0.00001      0.00001      0.00001      0.00001      0.00002 
    -0.00003      0.00003      0.00001      0.00000      0.00004     -0.00002 
     0.00000     -0.00004      0.00004      0.00003      0.00003     -0.00001 
     0.00003     -0.00002     -0.00006     -0.00002      0.00012      0.00007 
    -0.00002      0.00004      0.00003      0.00000      0.00012     -0.00006 
    -0.00007      0.00012      0.00125      0.00001      0.00951     -0.38717 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386352392
 Log product of positive Hessian eigenvalues =          520.2740813181
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7514593260
 Unscaled step for mode    7=        0.0000000011
 Unscaled step for mode    8=        0.0000000029
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=        0.0000000005
 Unscaled step for mode   14=        0.0000000115
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000057
 Unscaled step for mode   17=       -0.0000000053
 Unscaled step for mode   18=       -0.0000000097
 Unscaled step for mode   19=       -0.0000000234
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000159
 Unscaled step for mode   22=       -0.0000000041
 Unscaled step for mode   23=        0.0000000038
 Unscaled step for mode   24=       -0.0000000042
 Unscaled step for mode   25=        0.0000000344
 Unscaled step for mode   26=        0.0000000573
 Unscaled step for mode   27=        0.0000000300
 Unscaled step for mode   28=        0.0000000043
 Unscaled step for mode   29=        0.0000000056
 Unscaled step for mode   30=        0.0000000528
 Unscaled step for mode   31=        0.0000000154
 Unscaled step for mode   32=        0.0000000062
 Unscaled step for mode   33=       -0.0000000231
 Unscaled step for mode   34=       -0.0000000131
 Unscaled step for mode   35=       -0.0000000676
 Unscaled step for mode   36=       -0.0000000211
 Unscaled step for mode   37=        0.0000000351
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000540
 Unscaled step for mode   40=       -0.0000000383
 Unscaled step for mode   41=       -0.0000000538
 Unscaled step for mode   42=        0.0000000201
 Unscaled step for mode   43=       -0.0000000193
 Unscaled step for mode   44=        0.0000000382
 Unscaled step for mode   45=       -0.0000000164
 Unscaled step for mode   46=       -0.0000000493
 Unscaled step for mode   47=        0.0000001011
 Unscaled step for mode   48=       -0.0000000028
 Unscaled step for mode   49=        0.0000000632
 Unscaled step for mode   50=        0.0000000389
 Unscaled step for mode   51=        0.0000000446
 Unscaled step for mode   52=        0.0000000003
 Unscaled step for mode   53=        0.0000000447
 Unscaled step for mode   54=       -0.0000000357
 Unscaled step for mode   55=        0.0000000900
 Unscaled step for mode   56=        0.0000000311
 Unscaled step for mode   57=        0.0000000216
 Unscaled step for mode   58=       -0.0000000859
 Unscaled step for mode   59=       -0.0000000444
 Unscaled step for mode   60=        0.0000000937
 Unscaled step for mode   61=       -0.0000000810
 Unscaled step for mode   62=       -0.0000001955
 Unscaled step for mode   63=        0.0000001350
 Unscaled step for mode   64=        0.0000000554
 Unscaled step for mode   65=       -0.0000000002
 Unscaled step for mode   66=       -0.0000001600
 Unscaled step for mode   67=        0.0000000154
 Unscaled step for mode   68=       -0.0000000506
 Unscaled step for mode   69=        0.0000000129
 Unscaled step for mode   70=       -0.0000001128
 Unscaled step for mode   71=        0.0000000131
 Unscaled step for mode   72=       -0.0000002653
 Unscaled step for mode   73=        0.0000001299
 Unscaled step for mode   74=        0.0000002674
 Unscaled step for mode   75=        0.0000002701
 Unscaled step for mode   76=       -0.0000002598
 Unscaled step for mode   77=        0.0000005300
 Unscaled step for mode   78=        0.0000000325
 Unscaled step for mode   79=       -0.0000003430
 Unscaled step for mode   80=       -0.0000001558
 Unscaled step for mode   81=       -0.0000001672
 Unscaled step for mode   82=       -0.0000001788
 Unscaled step for mode   83=       -0.0000001353
 Unscaled step for mode   84=       -0.0000002692
 Unscaled step for mode   85=        0.0000004337
 Unscaled step for mode   86=       -0.0000005077
 Unscaled step for mode   87=       -0.0000001182
 Unscaled step for mode   88=       -0.0000000236
 Unscaled step for mode   89=       -0.0000005818
 Unscaled step for mode   90=        0.0000002879
 Unscaled step for mode   91=       -0.0000000084
 Unscaled step for mode   92=        0.0000007729
 Unscaled step for mode   93=       -0.0000007167
 Unscaled step for mode   94=       -0.0000005031
 Unscaled step for mode   95=       -0.0000006817
 Unscaled step for mode   96=        0.0000002231
 Unscaled step for mode   97=       -0.0000006567
 Unscaled step for mode   98=        0.0000005272
 Unscaled step for mode   99=        0.0000017495
 Unscaled step for mode  100=        0.0000006123
 Unscaled step for mode  101=       -0.0000032639
 Unscaled step for mode  102=       -0.0000022801
 Unscaled step for mode  103=        0.0000007595
 Unscaled step for mode  104=       -0.0000015434
 Unscaled step for mode  105=       -0.0000014586
 Unscaled step for mode  106=       -0.0000000239
 Unscaled step for mode  107=       -0.0000061384
 Unscaled step for mode  108=        0.0000038641
 Unscaled step for mode  109=        0.0000054216
 Unscaled step for mode  110=       -0.0000100521
 Unscaled step for mode  111=       -0.0001177656
 Unscaled step for mode  112=       -0.0000006498
 Unscaled step for mode  113=       -0.0012513125
 Unscaled step for mode  114=       -0.0809501574
 Largest modulus ratio of non-zero e/values=           152.4597889    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.579614E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.307697E-15    0.100749E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.288506E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.250668E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.585903E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.358600E-15    0.973649E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.825413E-06    0.724406E+03  0.113943E-08 0.100000E-04    0.978419E+00
   8   -0.197812E-05    0.671903E+03  0.294406E-08 0.100000E-04    0.998751E+00
   9    0.770675E-06    0.624948E+03 -0.123318E-08 0.100000E-04    0.991436E+00
  10    0.157016E-05    0.604307E+03 -0.259828E-08 0.100000E-04    0.991684E+00
  11   -0.107017E-05    0.589457E+03  0.181552E-08 0.100000E-04    0.996043E+00
  12    0.324441E-05    0.565824E+03 -0.573396E-08 0.100000E-04    0.997239E+00
  13   -0.280685E-06    0.564656E+03  0.497090E-09 0.100000E-04    0.857606E+00
  14   -0.552299E-05    0.479576E+03  0.115164E-07 0.100000E-04    0.999415E+00
  15    0.183074E-05    0.468443E+03 -0.390814E-08 0.100000E-04    0.994629E+00
  16    0.264575E-05    0.462510E+03 -0.572042E-08 0.100000E-04    0.989412E+00
  17    0.232473E-05    0.441354E+03 -0.526726E-08 0.100000E-04    0.987086E+00
  18    0.418844E-05    0.430901E+03 -0.972019E-08 0.100000E-04    0.998215E+00
  19    0.985271E-05    0.420989E+03 -0.234037E-07 0.100000E-04    0.994757E+00
  20    0.891653E-05    0.406576E+03 -0.219308E-07 0.100000E-04    0.997980E+00
  21    0.634252E-05    0.398061E+03 -0.159335E-07 0.100000E-04    0.995915E+00
  22    0.160825E-05    0.388689E+03 -0.413763E-08 0.100000E-04    0.978608E+00
  23   -0.141080E-05    0.367143E+03  0.384265E-08 0.100000E-04    0.997763E+00
  24    0.153892E-05    0.363122E+03 -0.423804E-08 0.100000E-04    0.992740E+00
  25   -0.120962E-04    0.351958E+03  0.343683E-07 0.100000E-04    0.995415E+00
  26   -0.195173E-04    0.340395E+03  0.573371E-07 0.100000E-04    0.994466E+00
  27   -0.972826E-05    0.324615E+03  0.299686E-07 0.100000E-04    0.995639E+00
  28   -0.139153E-05    0.321794E+03  0.432428E-08 0.100000E-04    0.941576E+00
  29   -0.177404E-05    0.318597E+03  0.556830E-08 0.100000E-04    0.941602E+00
  30   -0.167167E-04    0.316635E+03  0.527951E-07 0.100000E-04    0.994848E+00
  31   -0.469563E-05    0.305098E+03  0.153906E-07 0.100000E-04    0.993404E+00
  32   -0.177239E-05    0.287593E+03  0.616283E-08 0.100000E-04    0.983633E+00
  33    0.645217E-05    0.279578E+03 -0.230782E-07 0.100000E-04    0.993100E+00
  34    0.355760E-05    0.271043E+03 -0.131256E-07 0.100000E-04    0.988357E+00
  35    0.179780E-04    0.265870E+03 -0.676197E-07 0.100000E-04    0.997032E+00
  36    0.553762E-05    0.262858E+03 -0.210669E-07 0.100000E-04    0.988547E+00
  37   -0.904802E-05    0.258087E+03  0.350580E-07 0.100000E-04    0.993863E+00
  38   -0.369448E-05    0.253551E+03  0.145710E-07 0.100000E-04    0.999282E+00
  39   -0.131377E-04    0.243109E+03  0.540404E-07 0.100000E-04    0.995560E+00
  40    0.914073E-05    0.238439E+03 -0.383357E-07 0.100000E-04    0.995366E+00
  41    0.126417E-04    0.235174E+03 -0.537548E-07 0.100000E-04    0.989283E+00
  42   -0.459875E-05    0.228677E+03  0.201103E-07 0.100000E-04    0.994030E+00
  43    0.431187E-05    0.223143E+03 -0.193233E-07 0.100000E-04    0.992991E+00
  44   -0.812752E-05    0.212774E+03  0.381979E-07 0.100000E-04    0.993189E+00
  45    0.347096E-05    0.211559E+03 -0.164066E-07 0.100000E-04    0.997810E+00
  46    0.103043E-04    0.208861E+03 -0.493355E-07 0.100000E-04    0.994539E+00
  47   -0.205437E-04    0.203141E+03  0.101130E-06 0.100000E-04    0.996254E+00
  48    0.551916E-06    0.198214E+03 -0.278444E-08 0.100000E-04    0.958181E+00
  49   -0.123550E-04    0.195513E+03  0.631926E-07 0.100000E-04    0.995157E+00
  50   -0.744741E-05    0.191611E+03  0.388674E-07 0.100000E-04    0.991267E+00
  51   -0.829434E-05    0.185769E+03  0.446488E-07 0.100000E-04    0.996191E+00
  52   -0.615825E-07    0.176984E+03  0.347956E-09 0.100000E-04    0.925217E+00
  53   -0.764370E-05    0.170983E+03  0.447043E-07 0.100000E-04    0.996371E+00
  54    0.598638E-05    0.167899E+03 -0.356546E-07 0.100000E-04    0.992977E+00
  55   -0.149039E-04    0.165634E+03  0.899810E-07 0.100000E-04    0.996715E+00
  56   -0.498279E-05    0.160229E+03  0.310979E-07 0.100000E-04    0.994596E+00
  57   -0.331526E-05    0.153494E+03  0.215986E-07 0.100000E-04    0.991407E+00
  58    0.129742E-04    0.150972E+03 -0.859379E-07 0.100000E-04    0.993288E+00
  59    0.661960E-05    0.149050E+03 -0.444118E-07 0.100000E-04    0.996083E+00
  60   -0.133829E-04    0.142869E+03  0.936721E-07 0.100000E-04    0.997056E+00
  61    0.110944E-04    0.136944E+03 -0.810146E-07 0.100000E-04    0.991059E+00
  62    0.264168E-04    0.135123E+03 -0.195502E-06 0.100000E-04    0.996223E+00
  63   -0.176674E-04    0.130914E+03  0.134955E-06 0.100000E-04    0.994281E+00
  64   -0.706860E-05    0.127662E+03  0.553696E-07 0.100000E-04    0.989080E+00
  65    0.231507E-07    0.125982E+03 -0.183761E-09 0.100000E-04    0.618844E+00
  66    0.200137E-04    0.125114E+03 -0.159964E-06 0.100000E-04    0.994656E+00
  67   -0.183434E-05    0.119486E+03  0.153519E-07 0.100000E-04    0.996245E+00
  68    0.597295E-05    0.117955E+03 -0.506377E-07 0.100000E-04    0.993709E+00
  69   -0.150805E-05    0.116679E+03  0.129247E-07 0.100000E-04    0.973074E+00
  70    0.126353E-04    0.112031E+03 -0.112784E-06 0.100000E-04    0.995411E+00
  71   -0.143844E-05    0.109407E+03  0.131476E-07 0.100000E-04    0.981311E+00
  72    0.279229E-04    0.105254E+03 -0.265292E-06 0.100000E-04    0.992405E+00
  73   -0.133698E-04    0.102892E+03  0.129941E-06 0.100000E-04    0.992540E+00
  74   -0.267810E-04    0.100161E+03  0.267379E-06 0.100000E-04    0.996009E+00
  75   -0.261920E-04    0.969843E+02  0.270065E-06 0.100000E-04    0.992230E+00
  76    0.247078E-04    0.951095E+02 -0.259782E-06 0.100000E-04    0.996209E+00
  77   -0.483391E-04    0.912113E+02  0.529968E-06 0.100000E-04    0.995741E+00
  78   -0.295249E-05    0.908115E+02  0.325123E-07 0.100000E-04    0.982994E+00
  79    0.305648E-04    0.891028E+02 -0.343029E-06 0.100000E-04    0.998454E+00
  80    0.131817E-04    0.846027E+02 -0.155806E-06 0.100000E-04    0.994728E+00
  81    0.135251E-04    0.808953E+02 -0.167193E-06 0.100000E-04    0.994899E+00
  82    0.141975E-04    0.793833E+02 -0.178848E-06 0.100000E-04    0.998523E+00
  83    0.106264E-04    0.785329E+02 -0.135312E-06 0.100000E-04    0.999367E+00
  84    0.196047E-04    0.728130E+02 -0.269248E-06 0.100000E-04    0.991298E+00
  85   -0.310556E-04    0.716020E+02  0.433725E-06 0.100000E-04    0.993723E+00
  86    0.348533E-04    0.686449E+02 -0.507734E-06 0.100000E-04    0.999299E+00
  87    0.802156E-05    0.678657E+02 -0.118197E-06 0.100000E-04    0.957159E+00
  88    0.149459E-05    0.634040E+02 -0.235725E-07 0.100000E-04    0.977076E+00
  89    0.358338E-04    0.615946E+02 -0.581769E-06 0.100000E-04    0.994671E+00
  90   -0.171743E-04    0.596522E+02  0.287907E-06 0.100000E-04    0.991113E+00
  91    0.493628E-06    0.588176E+02 -0.839251E-08 0.100000E-04    0.961093E+00
  92   -0.431872E-04    0.558771E+02  0.772896E-06 0.100000E-04    0.995876E+00
  93    0.382649E-04    0.533884E+02 -0.716727E-06 0.100000E-04    0.997464E+00
  94    0.262775E-04    0.522316E+02 -0.503097E-06 0.100000E-04    0.992170E+00
  95    0.342695E-04    0.502710E+02 -0.681696E-06 0.100000E-04    0.998654E+00
  96   -0.106939E-04    0.479387E+02  0.223075E-06 0.100000E-04    0.998031E+00
  97    0.284245E-04    0.432842E+02 -0.656694E-06 0.100000E-04    0.993046E+00
  98   -0.211079E-04    0.400360E+02  0.527222E-06 0.100000E-04    0.994023E+00
  99   -0.647874E-04    0.370324E+02  0.174948E-05 0.100000E-04    0.988182E+00
 100   -0.220832E-04    0.360652E+02  0.612315E-06 0.100000E-04    0.983805E+00
 101    0.115436E-03    0.353674E+02 -0.326390E-05 0.100000E-04    0.997978E+00
 102    0.660105E-04    0.289503E+02 -0.228014E-05 0.100000E-04    0.994731E+00
 103   -0.218580E-04    0.287809E+02  0.759462E-06 0.100000E-04    0.954750E+00
 104    0.442767E-04    0.286873E+02 -0.154343E-05 0.100000E-04    0.998965E+00
 105    0.336448E-04    0.230661E+02 -0.145863E-05 0.100000E-04    0.993775E+00
 106    0.523427E-06    0.219333E+02 -0.238645E-07 0.100000E-04    0.109346E+01
 107    0.121156E-03    0.197373E+02 -0.613843E-05 0.100000E-04    0.996848E+00
 108   -0.648658E-04    0.167868E+02  0.386410E-05 0.100000E-04    0.990748E+00
 109   -0.747318E-04    0.137841E+02  0.542159E-05 0.100000E-04    0.999623E+00
 110    0.124446E-03    0.123801E+02 -0.100000E-04 0.100000E-04    0.989413E+00
 111    0.124837E-02    0.106005E+02 -0.100000E-04 0.100000E-04    0.684074E+00
 112    0.621244E-05    0.956009E+01 -0.649830E-06 0.100000E-04    0.951405E+00
 113    0.950816E-02    0.759853E+01 -0.133463E-04 0.133463E-04    0.158717E+00
 114   -0.387168E+00    0.475146E+01 -0.400000E-03 0.400000E-03    0.233160E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8095015737E-01

 Beginning of optimization cycle  183.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3872363128
 potential> RMS force:                                               0.0364504163   |gradient|=.3891839474    
 Eigenvalues of the Hessian matrix:
   724.46673    671.91666    624.96391    604.31390    589.45143    565.84871 
   564.68836    479.59617    468.41969    462.50032    441.35324    430.89186 
   420.99627    406.58664    398.05686    388.69169    367.14590    363.11170 
   351.94991    340.35889    324.62126    321.78759    318.61020    316.61154 
   305.09369    287.59780    279.57319    271.03758    265.87295    262.86822 
   258.09463    253.55321    243.10008    238.42584    235.18552    228.67795 
   223.12370    212.77777    211.56370    208.84822    203.14457    198.21046 
   195.51331    191.61052    185.75930    176.96949    170.98838    167.89541 
   165.63247    160.22300    153.49391    150.97133    149.05407    142.87226 
   136.94422    135.12837    130.91223    127.66248    125.98466    125.11944 
   119.48738    117.95515    116.68240    112.02317    109.39651    105.25016 
   102.89312    100.15751     96.97924     95.11010     91.22039     90.80584 
    89.11322     84.60475     80.89559     79.38681     78.53083     72.81101 
    71.60542     68.63631     67.86583     63.40341     61.58515     59.65219 
    58.82023     55.87827     53.38445     52.23122     50.27002     47.93731 
    43.28006     40.03847     37.03059     36.05960     35.37453     28.94782 
    28.77806     28.68257     23.06270     21.93283     19.74065     16.78777 
    13.78364     12.37838     10.58812      9.56157      7.59787      4.74955 
overlap for current and previous eigenvector    109 is         0.9999987031
overlap for current and previous eigenvector    110 is        -0.9999983338
overlap for current and previous eigenvector    111 is         0.9999937042
overlap for current and previous eigenvector    112 is         0.9999965448
overlap for current and previous eigenvector    113 is         0.9999985948
overlap for current and previous eigenvector    114 is        -0.9999995514
J1,K1,R1,R2,RAT=   7   7   -0.1747350170E-01     2.017307191        0.9825264983    
FOB,PFOB,DIAG,PSTEP=   -0.8398367490E-06   -0.8254126994E-06     724.4667292        0.1139433061E-08
J1,K1,R1,R2,RAT=   8   8   -0.1451304606E-01     2.014472028        0.9854869539    
FOB,PFOB,DIAG,PSTEP=   -0.2006830082E-05   -0.1978120933E-05     671.9166600        0.2944057829E-08
J1,K1,R1,R2,RAT=   9   9   -0.5570461914E-02     2.005518756        0.9944295381    
FOB,PFOB,DIAG,PSTEP=    0.7749681301E-06    0.7706750033E-06     624.9639051       -0.1233183103E-08
J1,K1,R1,R2,RAT=  10  10    0.4559625157E-02     1.995417581        0.9954175810    
FOB,PFOB,DIAG,PSTEP=    0.1563001816E-05    0.1570161244E-05     604.3138983       -0.2598284010E-08
J1,K1,R1,R2,RAT=  11  11    0.4334202967E-03     1.999585309        0.9995665797    
FOB,PFOB,DIAG,PSTEP=   -0.1069709689E-05   -0.1070173519E-05     589.4514257        0.1815524488E-08
J1,K1,R1,R2,RAT= 109 109   -0.1191006720E-02     2.001260910        0.9988089933    
FOB,PFOB,DIAG,PSTEP=   -0.7482080118E-04   -0.7473179821E-04     13.78364181        0.5421585045E-05
J1,K1,R1,R2,RAT= 110 110     2.019181704       -0.8481465806E-02    0.9915185342    
FOB,PFOB,DIAG,PSTEP=   -0.1254959586E-03    0.1244460903E-03     12.37838321       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3264110486         23.90696365        0.6735889514    
FOB,PFOB,DIAG,PSTEP=    0.1282929262E-02    0.1248368472E-02     10.58811889       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6763198970E-01     2.067322202        0.9323680103    
FOB,PFOB,DIAG,PSTEP=    0.6632661747E-05    0.6212437170E-05     9.561570918       -0.6498304139E-06
J1,K1,R1,R2,RAT= 113 113   -0.6884188423         188.2189636        0.3115811577    
FOB,PFOB,DIAG,PSTEP=    0.9577965105E-02    0.9508156805E-02     7.597873439       -0.1334634234E-04
J1,K1,R1,R2,RAT= 114 114    -408.5819365        0.9976590441        0.2340955892E-02
FOB,PFOB,DIAG,PSTEP=    0.3890638403       -0.3871684672         4.749551058       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00001      0.00000      0.00000     -0.00001     -0.00001      0.00001 
     0.00001      0.00003     -0.00002     -0.00001     -0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00001      0.00000      0.00003 
    -0.00001     -0.00003     -0.00003     -0.00002     -0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001     -0.00002 
    -0.00003      0.00003      0.00001      0.00000      0.00004      0.00002 
    -0.00000      0.00004     -0.00004     -0.00003     -0.00003      0.00001 
    -0.00003     -0.00002      0.00007     -0.00002      0.00012      0.00007 
     0.00002     -0.00004     -0.00003      0.00000      0.00012     -0.00006 
    -0.00007     -0.00013      0.00128      0.00001      0.00958      0.38906 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386217182
 Log product of positive Hessian eigenvalues =          520.2716514962
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7495510576
 Unscaled step for mode    7=        0.0000000012
 Unscaled step for mode    8=        0.0000000030
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=        0.0000000006
 Unscaled step for mode   14=        0.0000000115
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000058
 Unscaled step for mode   17=       -0.0000000053
 Unscaled step for mode   18=       -0.0000000098
 Unscaled step for mode   19=       -0.0000000235
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000160
 Unscaled step for mode   22=       -0.0000000042
 Unscaled step for mode   23=        0.0000000038
 Unscaled step for mode   24=       -0.0000000042
 Unscaled step for mode   25=        0.0000000345
 Unscaled step for mode   26=        0.0000000576
 Unscaled step for mode   27=        0.0000000301
 Unscaled step for mode   28=        0.0000000041
 Unscaled step for mode   29=        0.0000000053
 Unscaled step for mode   30=        0.0000000532
 Unscaled step for mode   31=        0.0000000156
 Unscaled step for mode   32=        0.0000000062
 Unscaled step for mode   33=       -0.0000000232
 Unscaled step for mode   34=       -0.0000000132
 Unscaled step for mode   35=       -0.0000000679
 Unscaled step for mode   36=       -0.0000000213
 Unscaled step for mode   37=        0.0000000353
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000542
 Unscaled step for mode   40=       -0.0000000386
 Unscaled step for mode   41=       -0.0000000544
 Unscaled step for mode   42=        0.0000000203
 Unscaled step for mode   43=       -0.0000000196
 Unscaled step for mode   44=        0.0000000388
 Unscaled step for mode   45=       -0.0000000162
 Unscaled step for mode   46=       -0.0000000498
 Unscaled step for mode   47=        0.0000001017
 Unscaled step for mode   48=       -0.0000000029
 Unscaled step for mode   49=        0.0000000637
 Unscaled step for mode   50=        0.0000000388
 Unscaled step for mode   51=        0.0000000450
 Unscaled step for mode   52=        0.0000000004
 Unscaled step for mode   53=        0.0000000449
 Unscaled step for mode   54=        0.0000000361
 Unscaled step for mode   55=        0.0000000904
 Unscaled step for mode   56=       -0.0000000311
 Unscaled step for mode   57=       -0.0000000218
 Unscaled step for mode   58=        0.0000000864
 Unscaled step for mode   59=        0.0000000445
 Unscaled step for mode   60=       -0.0000000943
 Unscaled step for mode   61=       -0.0000000814
 Unscaled step for mode   62=       -0.0000001960
 Unscaled step for mode   63=        0.0000001352
 Unscaled step for mode   64=        0.0000000561
 Unscaled step for mode   65=        0.0000000000
 Unscaled step for mode   66=        0.0000001605
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000509
 Unscaled step for mode   69=        0.0000000131
 Unscaled step for mode   70=       -0.0000001138
 Unscaled step for mode   71=       -0.0000000134
 Unscaled step for mode   72=       -0.0000002666
 Unscaled step for mode   73=        0.0000001310
 Unscaled step for mode   74=        0.0000002678
 Unscaled step for mode   75=        0.0000002725
 Unscaled step for mode   76=        0.0000002609
 Unscaled step for mode   77=        0.0000005329
 Unscaled step for mode   78=        0.0000000316
 Unscaled step for mode   79=       -0.0000003417
 Unscaled step for mode   80=        0.0000001569
 Unscaled step for mode   81=        0.0000001678
 Unscaled step for mode   82=       -0.0000001779
 Unscaled step for mode   83=        0.0000001364
 Unscaled step for mode   84=        0.0000002705
 Unscaled step for mode   85=        0.0000004348
 Unscaled step for mode   86=       -0.0000005076
 Unscaled step for mode   87=       -0.0000001237
 Unscaled step for mode   88=       -0.0000000230
 Unscaled step for mode   89=       -0.0000005842
 Unscaled step for mode   90=       -0.0000002882
 Unscaled step for mode   91=        0.0000000085
 Unscaled step for mode   92=       -0.0000007771
 Unscaled step for mode   93=        0.0000007163
 Unscaled step for mode   94=        0.0000005051
 Unscaled step for mode   95=        0.0000006807
 Unscaled step for mode   96=       -0.0000002242
 Unscaled step for mode   97=        0.0000006581
 Unscaled step for mode   98=        0.0000005299
 Unscaled step for mode   99=       -0.0000017611
 Unscaled step for mode  100=        0.0000006035
 Unscaled step for mode  101=       -0.0000032672
 Unscaled step for mode  102=       -0.0000022834
 Unscaled step for mode  103=       -0.0000007921
 Unscaled step for mode  104=        0.0000015300
 Unscaled step for mode  105=        0.0000014666
 Unscaled step for mode  106=       -0.0000000108
 Unscaled step for mode  107=       -0.0000061452
 Unscaled step for mode  108=        0.0000038466
 Unscaled step for mode  109=        0.0000054282
 Unscaled step for mode  110=        0.0000101383
 Unscaled step for mode  111=       -0.0001211669
 Unscaled step for mode  112=       -0.0000006937
 Unscaled step for mode  113=       -0.0012606093
 Unscaled step for mode  114=        0.0813735008
 Largest modulus ratio of non-zero e/values=           152.5337280    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.778240E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.175641E-15    0.100748E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.341795E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.372391E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.711237E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.180249E-15    0.973651E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.839837E-06    0.724467E+03  0.115925E-08 0.100000E-04    0.982526E+00
   8   -0.200683E-05    0.671917E+03  0.298672E-08 0.100000E-04    0.985487E+00
   9    0.774968E-06    0.624964E+03 -0.124002E-08 0.100000E-04    0.994430E+00
  10    0.156300E-05    0.604314E+03 -0.258641E-08 0.100000E-04    0.995418E+00
  11   -0.106971E-05    0.589451E+03  0.181475E-08 0.100000E-04    0.999567E+00
  12    0.323648E-05    0.565849E+03 -0.571969E-08 0.100000E-04    0.997466E+00
  13   -0.345971E-06    0.564688E+03  0.612677E-09 0.100000E-04    0.767416E+00
  14   -0.550785E-05    0.479596E+03  0.114843E-07 0.100000E-04    0.997176E+00
  15    0.184110E-05    0.468420E+03 -0.393046E-08 0.100000E-04    0.994339E+00
  16    0.266089E-05    0.462500E+03 -0.575328E-08 0.100000E-04    0.994277E+00
  17    0.233050E-05    0.441353E+03 -0.528034E-08 0.100000E-04    0.997518E+00
  18    0.420298E-05    0.430892E+03 -0.975413E-08 0.100000E-04    0.996529E+00
  19    0.989201E-05    0.420996E+03 -0.234967E-07 0.100000E-04    0.996012E+00
  20    0.891152E-05    0.406587E+03 -0.219179E-07 0.100000E-04    0.999385E+00
  21    0.635601E-05    0.398057E+03 -0.159676E-07 0.100000E-04    0.997872E+00
  22    0.163530E-05    0.388692E+03 -0.420719E-08 0.100000E-04    0.983180E+00
  23   -0.139506E-05    0.367146E+03  0.379974E-08 0.100000E-04    0.988823E+00
  24    0.152873E-05    0.363112E+03 -0.421008E-08 0.100000E-04    0.993375E+00
  25   -0.121536E-04    0.351950E+03  0.345322E-07 0.100000E-04    0.995253E+00
  26   -0.196167E-04    0.340359E+03  0.576354E-07 0.100000E-04    0.994904E+00
  27   -0.978144E-05    0.324621E+03  0.301318E-07 0.100000E-04    0.994534E+00
  28   -0.131112E-05    0.321788E+03  0.407450E-08 0.100000E-04    0.942218E+00
  29   -0.169341E-05    0.318610E+03  0.531500E-08 0.100000E-04    0.954470E+00
  30   -0.168293E-04    0.316612E+03  0.531544E-07 0.100000E-04    0.993266E+00
  31   -0.475389E-05    0.305094E+03  0.155818E-07 0.100000E-04    0.987593E+00
  32   -0.179292E-05    0.287598E+03  0.623412E-08 0.100000E-04    0.988416E+00
  33    0.647585E-05    0.279573E+03 -0.231633E-07 0.100000E-04    0.996330E+00
  34    0.357571E-05    0.271038E+03 -0.131927E-07 0.100000E-04    0.994911E+00
  35    0.180616E-04    0.265873E+03 -0.679331E-07 0.100000E-04    0.995352E+00
  36    0.559744E-05    0.262868E+03 -0.212937E-07 0.100000E-04    0.989198E+00
  37   -0.910531E-05    0.258095E+03  0.352790E-07 0.100000E-04    0.993668E+00
  38   -0.370697E-05    0.253553E+03  0.146201E-07 0.100000E-04    0.996618E+00
  39   -0.131815E-04    0.243100E+03  0.542225E-07 0.100000E-04    0.996667E+00
  40    0.920131E-05    0.238426E+03 -0.385919E-07 0.100000E-04    0.993372E+00
  41    0.127828E-04    0.235186E+03 -0.543519E-07 0.100000E-04    0.988844E+00
  42   -0.463801E-05    0.228678E+03  0.202819E-07 0.100000E-04    0.991462E+00
  43    0.436569E-05    0.223124E+03 -0.195662E-07 0.100000E-04    0.987516E+00
  44   -0.825324E-05    0.212778E+03  0.387881E-07 0.100000E-04    0.984532E+00
  45    0.343756E-05    0.211564E+03 -0.162483E-07 0.100000E-04    0.990332E+00
  46    0.103931E-04    0.208848E+03 -0.497638E-07 0.100000E-04    0.991381E+00
  47   -0.206612E-04    0.203145E+03  0.101707E-06 0.100000E-04    0.994282E+00
  48    0.578752E-06    0.198210E+03 -0.291989E-08 0.100000E-04    0.951376E+00
  49   -0.124506E-04    0.195513E+03  0.636817E-07 0.100000E-04    0.992257E+00
  50   -0.744112E-05    0.191611E+03  0.388346E-07 0.100000E-04    0.999156E+00
  51   -0.835889E-05    0.185759E+03  0.449985E-07 0.100000E-04    0.992217E+00
  52   -0.772737E-07    0.176969E+03  0.436650E-09 0.100000E-04    0.745180E+00
  53   -0.767926E-05    0.170988E+03  0.449110E-07 0.100000E-04    0.995347E+00
  54   -0.605579E-05    0.167895E+03  0.360688E-07 0.100000E-04    0.988404E+00
  55   -0.149678E-04    0.165632E+03  0.903674E-07 0.100000E-04    0.995717E+00
  56    0.498462E-05    0.160223E+03 -0.311105E-07 0.100000E-04    0.999633E+00
  57    0.334786E-05    0.153494E+03 -0.218110E-07 0.100000E-04    0.990167E+00
  58   -0.130467E-04    0.150971E+03  0.864185E-07 0.100000E-04    0.994412E+00
  59   -0.663228E-05    0.149054E+03  0.444958E-07 0.100000E-04    0.998085E+00
  60    0.134703E-04    0.142872E+03 -0.942821E-07 0.100000E-04    0.993466E+00
  61    0.111509E-04    0.136944E+03 -0.814267E-07 0.100000E-04    0.994910E+00
  62    0.264833E-04    0.135128E+03 -0.195986E-06 0.100000E-04    0.997484E+00
  63   -0.177022E-04    0.130912E+03  0.135222E-06 0.100000E-04    0.998034E+00
  64   -0.715886E-05    0.127662E+03  0.560764E-07 0.100000E-04    0.987231E+00
  65   -0.951758E-09    0.125985E+03  0.755456E-11 0.109000E-04    0.410919E-01
  66   -0.200756E-04    0.125119E+03  0.160452E-06 0.100000E-04    0.996905E+00
  67    0.186850E-05    0.119487E+03 -0.156376E-07 0.100000E-04    0.981379E+00
  68    0.599901E-05    0.117955E+03 -0.508584E-07 0.100000E-04    0.995637E+00
  69   -0.152431E-05    0.116682E+03  0.130637E-07 0.100000E-04    0.989218E+00
  70    0.127510E-04    0.112023E+03 -0.113825E-06 0.100000E-04    0.990843E+00
  71    0.146134E-05    0.109397E+03 -0.133582E-07 0.100000E-04    0.984082E+00
  72    0.280549E-04    0.105250E+03 -0.266554E-06 0.100000E-04    0.995275E+00
  73   -0.134799E-04    0.102893E+03  0.131009E-06 0.100000E-04    0.991766E+00
  74   -0.268230E-04    0.100158E+03  0.267809E-06 0.100000E-04    0.998432E+00
  75   -0.264310E-04    0.969792E+02  0.272542E-06 0.100000E-04    0.990877E+00
  76   -0.248178E-04    0.951101E+02  0.260938E-06 0.100000E-04    0.995547E+00
  77   -0.486119E-04    0.912204E+02  0.532906E-06 0.100000E-04    0.994356E+00
  78   -0.287374E-05    0.908058E+02  0.316471E-07 0.100000E-04    0.973327E+00
  79    0.304485E-04    0.891132E+02 -0.341683E-06 0.100000E-04    0.995959E+00
  80   -0.132709E-04    0.846047E+02  0.156858E-06 0.100000E-04    0.993227E+00
  81   -0.135773E-04    0.808956E+02  0.167837E-06 0.100000E-04    0.996143E+00
  82    0.141214E-04    0.793868E+02 -0.177881E-06 0.100000E-04    0.994552E+00
  83   -0.107079E-04    0.785308E+02  0.136353E-06 0.100000E-04    0.992333E+00
  84   -0.196938E-04    0.728110E+02  0.270478E-06 0.100000E-04    0.995458E+00
  85   -0.311361E-04    0.716054E+02  0.434829E-06 0.100000E-04    0.997406E+00
  86    0.348395E-04    0.686363E+02 -0.507596E-06 0.100000E-04    0.999603E+00
  87    0.839523E-05    0.678658E+02 -0.123703E-06 0.100000E-04    0.953417E+00
  88    0.145942E-05    0.634034E+02 -0.230181E-07 0.100000E-04    0.976473E+00
  89    0.359752E-04    0.615852E+02 -0.584153E-06 0.100000E-04    0.996055E+00
  90    0.171918E-04    0.596522E+02 -0.288201E-06 0.100000E-04    0.998980E+00
  91   -0.499102E-06    0.588202E+02  0.848520E-08 0.100000E-04    0.988911E+00
  92    0.434228E-04    0.558783E+02 -0.777097E-06 0.100000E-04    0.994544E+00
  93   -0.382373E-04    0.533845E+02  0.716263E-06 0.100000E-04    0.999278E+00
  94   -0.263798E-04    0.522312E+02  0.505058E-06 0.100000E-04    0.996108E+00
  95   -0.342200E-04    0.502700E+02  0.680723E-06 0.100000E-04    0.998555E+00
  96    0.107467E-04    0.479373E+02 -0.224182E-06 0.100000E-04    0.995064E+00
  97   -0.284825E-04    0.432801E+02  0.658098E-06 0.100000E-04    0.997957E+00
  98   -0.212153E-04    0.400385E+02  0.529873E-06 0.100000E-04    0.994910E+00
  99    0.652162E-04    0.370306E+02 -0.176114E-05 0.100000E-04    0.993380E+00
 100   -0.217613E-04    0.360596E+02  0.603480E-06 0.100000E-04    0.985418E+00
 101    0.115575E-03    0.353745E+02 -0.326717E-05 0.100000E-04    0.998795E+00
 102    0.661005E-04    0.289478E+02 -0.228344E-05 0.100000E-04    0.998637E+00
 103    0.227938E-04    0.287781E+02 -0.792056E-06 0.100000E-04    0.957180E+00
 104   -0.438834E-04    0.286826E+02  0.152997E-05 0.100000E-04    0.991116E+00
 105   -0.338231E-04    0.230627E+02  0.146657E-05 0.100000E-04    0.994698E+00
 106    0.237651E-06    0.219328E+02 -0.108354E-07 0.100000E-04    0.454015E+00
 107    0.121311E-03    0.197406E+02 -0.614523E-05 0.100000E-04    0.998723E+00
 108   -0.645761E-04    0.167878E+02  0.384661E-05 0.100000E-04    0.995415E+00
 109   -0.748208E-04    0.137836E+02  0.542823E-05 0.100000E-04    0.998809E+00
 110   -0.125496E-03    0.123784E+02  0.100000E-04 0.100000E-04    0.991519E+00
 111    0.128293E-02    0.105881E+02 -0.100000E-04 0.100000E-04    0.673589E+00
 112    0.663266E-05    0.956157E+01 -0.693679E-06 0.100000E-04    0.932368E+00
 113    0.957797E-02    0.759787E+01 -0.120237E-04 0.120237E-04    0.311581E+00
 114    0.389064E+00    0.474955E+01  0.400000E-03 0.400000E-03    0.234096E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8137350085E-01

 Beginning of optimization cycle  184.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3870804361
 potential> RMS force:                                               0.0366280004   |gradient|=.3910800268    
 Eigenvalues of the Hessian matrix:
   724.52703    671.93052    624.98005    604.32054    589.44596    565.87388 
   564.72081    479.61598    468.39681    462.49064    441.35216    430.88256 
   421.00357    406.59737    398.05280    388.69456    367.14926    363.10180 
   351.94184    340.32265    324.62777    321.78166    318.62337    316.58808 
   305.08921    287.60243    279.56810    271.03257    265.87632    262.87821 
   258.10173    253.55569    243.09152    238.41275    235.19666    228.67923 
   223.10429    212.78160    211.56856    208.83531    203.14784    198.20650 
   195.51389    191.61041    185.74997    176.95545    170.99332    167.89166 
   165.63071    160.21696    153.49387    150.97052    149.05766    142.87546 
   136.94461    135.13379    130.91076    127.66285    125.98702    125.12514 
   119.48864    117.95559    116.68542    112.01582    109.38578    105.24653 
   102.89449    100.15368     96.97414     95.11069     91.22954     90.80021 
    89.12361     84.60679     80.89587     79.39025     78.52878     72.80908 
    71.60893     68.62782     67.86588     63.40287     61.57577     59.65221 
    58.82285     55.87944     53.38048     52.23091     50.26907     47.93597 
    43.27595     40.04092     37.02886     36.05400     35.38174     28.94546 
    28.77548     28.67754     23.05933     21.93229     19.74405     16.78875 
    13.78317     12.37670     10.57580      9.56303      7.59721      4.74762 
overlap for current and previous eigenvector    109 is         0.9999987199
overlap for current and previous eigenvector    110 is         0.9999983610
overlap for current and previous eigenvector    111 is         0.9999935836
overlap for current and previous eigenvector    112 is         0.9999963794
overlap for current and previous eigenvector    113 is         0.9999985778
overlap for current and previous eigenvector    114 is         0.9999995539
J1,K1,R1,R2,RAT=   7   7   -0.2071956325E-01     2.020553107        0.9792804367    
FOB,PFOB,DIAG,PSTEP=   -0.8572392481E-06   -0.8398367490E-06     724.5270304        0.1159248196E-08
J1,K1,R1,R2,RAT=   8   8   -0.1369241053E-02     2.001328001        0.9986307589    
FOB,PFOB,DIAG,PSTEP=   -0.2009577973E-05   -0.2006830082E-05     671.9305152        0.2986724696E-08
J1,K1,R1,R2,RAT=   9   9    0.8822143942E-02     1.991126188        0.9911261879    
FOB,PFOB,DIAG,PSTEP=    0.7681310730E-06    0.7749681301E-06     624.9800509       -0.1240020622E-08
J1,K1,R1,R2,RAT=  10  10   -0.8201779882E-02     2.008179802        0.9917982201    
FOB,PFOB,DIAG,PSTEP=    0.1575821353E-05    0.1563001816E-05     604.3205392       -0.2586407196E-08
J1,K1,R1,R2,RAT=  11  11   -0.3871975737E-02     2.003890507        0.9961280243    
FOB,PFOB,DIAG,PSTEP=   -0.1073851540E-05   -0.1069709689E-05     589.4459642        0.1814754604E-08
J1,K1,R1,R2,RAT= 109 109   -0.3156893436E-03     2.000383796        0.9996843107    
FOB,PFOB,DIAG,PSTEP=   -0.7484442050E-04   -0.7482080118E-04     13.78317245        0.5428231681E-05
J1,K1,R1,R2,RAT= 110 110   -0.1899226470E-01     2.046930629        0.9810077353    
FOB,PFOB,DIAG,PSTEP=   -0.1278465749E-03   -0.1254959586E-03     12.37670344        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3240685692         24.58567107        0.6759314308    
FOB,PFOB,DIAG,PSTEP=    0.1317202106E-02    0.1282929262E-02     10.57579987       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.4081903579E-01     1.958875350        0.9588753505    
FOB,PFOB,DIAG,PSTEP=    0.6361881513E-05    0.6632661747E-05     9.563032215       -0.6936790831E-06
J1,K1,R1,R2,RAT= 113 113   -0.8721373275         210.5777496        0.1278626725    
FOB,PFOB,DIAG,PSTEP=    0.9657632032E-02    0.9577965105E-02     7.597206144       -0.1202373184E-04
J1,K1,R1,R2,RAT= 114 114    0.9976505028        -410.7437217        0.2349497172E-02
FOB,PFOB,DIAG,PSTEP=    0.3909584270        0.3890638403         4.747621364        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001     -0.00001      0.00001 
     0.00001      0.00003     -0.00002     -0.00001     -0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00001      0.00000      0.00003 
    -0.00001     -0.00003     -0.00003     -0.00002      0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001     -0.00002 
    -0.00003      0.00003      0.00001      0.00000      0.00004      0.00002 
    -0.00000      0.00004     -0.00004     -0.00003     -0.00003      0.00001 
    -0.00003     -0.00002      0.00007     -0.00002      0.00012      0.00007 
     0.00002     -0.00004     -0.00003      0.00000      0.00012     -0.00006 
    -0.00007     -0.00013      0.00132      0.00001      0.00966      0.39096 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4386043730
 Log product of positive Hessian eigenvalues =          520.2692230370
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7476213635
 Unscaled step for mode    7=        0.0000000012
 Unscaled step for mode    8=        0.0000000030
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=        0.0000000007
 Unscaled step for mode   14=        0.0000000115
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000058
 Unscaled step for mode   17=       -0.0000000053
 Unscaled step for mode   18=       -0.0000000098
 Unscaled step for mode   19=       -0.0000000236
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000160
 Unscaled step for mode   22=       -0.0000000043
 Unscaled step for mode   23=        0.0000000038
 Unscaled step for mode   24=       -0.0000000042
 Unscaled step for mode   25=        0.0000000347
 Unscaled step for mode   26=        0.0000000580
 Unscaled step for mode   27=        0.0000000303
 Unscaled step for mode   28=        0.0000000038
 Unscaled step for mode   29=        0.0000000050
 Unscaled step for mode   30=        0.0000000534
 Unscaled step for mode   31=        0.0000000157
 Unscaled step for mode   32=        0.0000000063
 Unscaled step for mode   33=       -0.0000000233
 Unscaled step for mode   34=       -0.0000000133
 Unscaled step for mode   35=       -0.0000000681
 Unscaled step for mode   36=       -0.0000000215
 Unscaled step for mode   37=        0.0000000355
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000545
 Unscaled step for mode   40=       -0.0000000388
 Unscaled step for mode   41=       -0.0000000549
 Unscaled step for mode   42=        0.0000000204
 Unscaled step for mode   43=       -0.0000000197
 Unscaled step for mode   44=        0.0000000391
 Unscaled step for mode   45=       -0.0000000163
 Unscaled step for mode   46=       -0.0000000500
 Unscaled step for mode   47=        0.0000001021
 Unscaled step for mode   48=       -0.0000000030
 Unscaled step for mode   49=        0.0000000640
 Unscaled step for mode   50=        0.0000000392
 Unscaled step for mode   51=        0.0000000452
 Unscaled step for mode   52=        0.0000000005
 Unscaled step for mode   53=        0.0000000451
 Unscaled step for mode   54=        0.0000000363
 Unscaled step for mode   55=        0.0000000907
 Unscaled step for mode   56=       -0.0000000313
 Unscaled step for mode   57=       -0.0000000220
 Unscaled step for mode   58=        0.0000000870
 Unscaled step for mode   59=        0.0000000443
 Unscaled step for mode   60=       -0.0000000946
 Unscaled step for mode   61=       -0.0000000821
 Unscaled step for mode   62=       -0.0000001967
 Unscaled step for mode   63=        0.0000001360
 Unscaled step for mode   64=        0.0000000567
 Unscaled step for mode   65=        0.0000000001
 Unscaled step for mode   66=        0.0000001613
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000512
 Unscaled step for mode   69=        0.0000000134
 Unscaled step for mode   70=       -0.0000001144
 Unscaled step for mode   71=       -0.0000000136
 Unscaled step for mode   72=       -0.0000002686
 Unscaled step for mode   73=        0.0000001320
 Unscaled step for mode   74=        0.0000002688
 Unscaled step for mode   75=        0.0000002747
 Unscaled step for mode   76=        0.0000002619
 Unscaled step for mode   77=       -0.0000005351
 Unscaled step for mode   78=        0.0000000312
 Unscaled step for mode   79=       -0.0000003411
 Unscaled step for mode   80=        0.0000001577
 Unscaled step for mode   81=        0.0000001687
 Unscaled step for mode   82=       -0.0000001776
 Unscaled step for mode   83=        0.0000001364
 Unscaled step for mode   84=        0.0000002728
 Unscaled step for mode   85=        0.0000004375
 Unscaled step for mode   86=       -0.0000005079
 Unscaled step for mode   87=       -0.0000001288
 Unscaled step for mode   88=       -0.0000000235
 Unscaled step for mode   89=       -0.0000005873
 Unscaled step for mode   90=       -0.0000002907
 Unscaled step for mode   91=        0.0000000088
 Unscaled step for mode   92=       -0.0000007802
 Unscaled step for mode   93=        0.0000007181
 Unscaled step for mode   94=        0.0000005090
 Unscaled step for mode   95=        0.0000006816
 Unscaled step for mode   96=       -0.0000002237
 Unscaled step for mode   97=        0.0000006626
 Unscaled step for mode   98=        0.0000005330
 Unscaled step for mode   99=       -0.0000017815
 Unscaled step for mode  100=        0.0000005932
 Unscaled step for mode  101=       -0.0000032728
 Unscaled step for mode  102=       -0.0000022952
 Unscaled step for mode  103=       -0.0000008244
 Unscaled step for mode  104=        0.0000015280
 Unscaled step for mode  105=        0.0000014757
 Unscaled step for mode  106=       -0.0000000271
 Unscaled step for mode  107=       -0.0000061627
 Unscaled step for mode  108=        0.0000038106
 Unscaled step for mode  109=        0.0000054301
 Unscaled step for mode  110=        0.0000103296
 Unscaled step for mode  111=       -0.0001245487
 Unscaled step for mode  112=       -0.0000006653
 Unscaled step for mode  113=       -0.0012712063
 Unscaled step for mode  114=        0.0817972988
 Largest modulus ratio of non-zero e/values=           152.6084275    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.405275E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.125984E-15    0.100748E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.456827E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.309214E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.141705E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.622874E-16    0.973653E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.857239E-06    0.724527E+03  0.118317E-08 0.100000E-04    0.979280E+00
   8   -0.200958E-05    0.671931E+03  0.299075E-08 0.100000E-04    0.998631E+00
   9    0.768131E-06    0.624980E+03 -0.122905E-08 0.100000E-04    0.991126E+00
  10    0.157582E-05    0.604321E+03 -0.260759E-08 0.100000E-04    0.991798E+00
  11   -0.107385E-05    0.589446E+03  0.182180E-08 0.100000E-04    0.996128E+00
  12    0.322628E-05    0.565874E+03 -0.570141E-08 0.100000E-04    0.996761E+00
  13   -0.382139E-06    0.564721E+03  0.676686E-09 0.100000E-04    0.895467E+00
  14   -0.550482E-05    0.479616E+03  0.114776E-07 0.100000E-04    0.999368E+00
  15    0.183119E-05    0.468397E+03 -0.390948E-08 0.100000E-04    0.994614E+00
  16    0.268861E-05    0.462491E+03 -0.581332E-08 0.100000E-04    0.989585E+00
  17    0.235986E-05    0.441352E+03 -0.534688E-08 0.100000E-04    0.987400E+00
  18    0.421010E-05    0.430883E+03 -0.977088E-08 0.100000E-04    0.998305E+00
  19    0.994341E-05    0.421004E+03 -0.236184E-07 0.100000E-04    0.994803E+00
  20    0.892904E-05    0.406597E+03 -0.219604E-07 0.100000E-04    0.998034E+00
  21    0.638115E-05    0.398053E+03 -0.160309E-07 0.100000E-04    0.996045E+00
  22    0.166954E-05    0.388695E+03 -0.429524E-08 0.100000E-04    0.979065E+00
  23   -0.139159E-05    0.367149E+03  0.379026E-08 0.100000E-04    0.997497E+00
  24    0.151690E-05    0.363102E+03 -0.417762E-08 0.100000E-04    0.992263E+00
  25   -0.122087E-04    0.351942E+03  0.346895E-07 0.100000E-04    0.995469E+00
  26   -0.197240E-04    0.340323E+03  0.579567E-07 0.100000E-04    0.994532E+00
  27   -0.982423E-05    0.324628E+03  0.302631E-07 0.100000E-04    0.995625E+00
  28   -0.122430E-05    0.321782E+03  0.380475E-08 0.100000E-04    0.933777E+00
  29   -0.158881E-05    0.318623E+03  0.498647E-08 0.100000E-04    0.938147E+00
  30   -0.169119E-04    0.316588E+03  0.534192E-07 0.100000E-04    0.995094E+00
  31   -0.478543E-05    0.305089E+03  0.156853E-07 0.100000E-04    0.993367E+00
  32   -0.182124E-05    0.287602E+03  0.633248E-08 0.100000E-04    0.984206E+00
  33    0.651993E-05    0.279568E+03 -0.233215E-07 0.100000E-04    0.993192E+00
  34    0.361651E-05    0.271033E+03 -0.133434E-07 0.100000E-04    0.988590E+00
  35    0.181143E-04    0.265876E+03 -0.681307E-07 0.100000E-04    0.997079E+00
  36    0.566048E-05    0.262878E+03 -0.215327E-07 0.100000E-04    0.988737E+00
  37   -0.916020E-05    0.258102E+03  0.354906E-07 0.100000E-04    0.993972E+00
  38   -0.370353E-05    0.253556E+03  0.146064E-07 0.100000E-04    0.999052E+00
  39   -0.132392E-04    0.243092E+03  0.544618E-07 0.100000E-04    0.995620E+00
  40    0.924155E-05    0.238413E+03 -0.387628E-07 0.100000E-04    0.995627E+00
  41    0.129194E-04    0.235197E+03 -0.549302E-07 0.100000E-04    0.989314E+00
  42   -0.466584E-05    0.228679E+03  0.204034E-07 0.100000E-04    0.994000E+00
  43    0.439701E-05    0.223104E+03 -0.197083E-07 0.100000E-04    0.992826E+00
  44   -0.830951E-05    0.212782E+03  0.390518E-07 0.100000E-04    0.993183E+00
  45    0.344471E-05    0.211569E+03 -0.162818E-07 0.100000E-04    0.997918E+00
  46    0.104495E-04    0.208835E+03 -0.500370E-07 0.100000E-04    0.994572E+00
  47   -0.207370E-04    0.203148E+03  0.102078E-06 0.100000E-04    0.996331E+00
  48    0.600679E-06    0.198206E+03 -0.303057E-08 0.100000E-04    0.962113E+00
  49   -0.125104E-04    0.195514E+03  0.639870E-07 0.100000E-04    0.995202E+00
  50   -0.750509E-05    0.191610E+03  0.391685E-07 0.100000E-04    0.991403E+00
  51   -0.839105E-05    0.185750E+03  0.451739E-07 0.100000E-04    0.996152E+00
  52   -0.819454E-07    0.176955E+03  0.463085E-09 0.100000E-04    0.939539E+00
  53   -0.770675E-05    0.170993E+03  0.450705E-07 0.100000E-04    0.996421E+00
  54   -0.609847E-05    0.167892E+03  0.363239E-07 0.100000E-04    0.992952E+00
  55   -0.150155E-04    0.165631E+03  0.906566E-07 0.100000E-04    0.996810E+00
  56    0.501079E-05    0.160217E+03 -0.312750E-07 0.100000E-04    0.994749E+00
  57    0.337689E-05    0.153494E+03 -0.220001E-07 0.100000E-04    0.991330E+00
  58   -0.131336E-04    0.150971E+03  0.869946E-07 0.100000E-04    0.993339E+00
  59   -0.660439E-05    0.149058E+03  0.443076E-07 0.100000E-04    0.995747E+00
  60    0.135092E-04    0.142875E+03 -0.945522E-07 0.100000E-04    0.997112E+00
  61    0.112491E-04    0.136945E+03 -0.821435E-07 0.100000E-04    0.991195E+00
  62    0.265811E-04    0.135134E+03 -0.196702E-06 0.100000E-04    0.996305E+00
  63   -0.178013E-04    0.130911E+03  0.135980E-06 0.100000E-04    0.994400E+00
  64   -0.723636E-05    0.127663E+03  0.566834E-07 0.100000E-04    0.989174E+00
  65   -0.809380E-08    0.125987E+03  0.642431E-10 0.100000E-04    0.650391E+01
  66   -0.201813E-04    0.125125E+03  0.161289E-06 0.100000E-04    0.994738E+00
  67    0.186228E-05    0.119489E+03 -0.155854E-07 0.100000E-04    0.996652E+00
  68    0.603581E-05    0.117956E+03 -0.511702E-07 0.100000E-04    0.993866E+00
  69   -0.156384E-05    0.116685E+03  0.134022E-07 0.100000E-04    0.974066E+00
  70    0.128092E-04    0.112016E+03 -0.114352E-06 0.100000E-04    0.995431E+00
  71    0.148808E-05    0.109386E+03 -0.136039E-07 0.100000E-04    0.981700E+00
  72    0.282659E-04    0.105247E+03 -0.268568E-06 0.100000E-04    0.992478E+00
  73   -0.135794E-04    0.102894E+03  0.131974E-06 0.100000E-04    0.992617E+00
  74   -0.269261E-04    0.100154E+03  0.268848E-06 0.100000E-04    0.996158E+00
  75   -0.266348E-04    0.969741E+02  0.274659E-06 0.100000E-04    0.992288E+00
  76   -0.249095E-04    0.951107E+02  0.261900E-06 0.100000E-04    0.996307E+00
  77    0.488140E-04    0.912295E+02 -0.535068E-06 0.100000E-04    0.995843E+00
  78   -0.283134E-05    0.908002E+02  0.311820E-07 0.100000E-04    0.985244E+00
  79    0.304035E-04    0.891236E+02 -0.341139E-06 0.100000E-04    0.998290E+00
  80   -0.133398E-04    0.846068E+02  0.157668E-06 0.100000E-04    0.994812E+00
  81   -0.136456E-04    0.808959E+02  0.168681E-06 0.100000E-04    0.994968E+00
  82    0.140990E-04    0.793902E+02 -0.177591E-06 0.100000E-04    0.998323E+00
  83   -0.107147E-04    0.785288E+02  0.136443E-06 0.100000E-04    0.999365E+00
  84   -0.198619E-04    0.728091E+02  0.272794E-06 0.100000E-04    0.991462E+00
  85   -0.313294E-04    0.716089E+02  0.437507E-06 0.100000E-04    0.993794E+00
  86    0.348528E-04    0.686278E+02 -0.507852E-06 0.100000E-04    0.999620E+00
  87    0.873878E-05    0.678659E+02 -0.128766E-06 0.100000E-04    0.959077E+00
  88    0.149107E-05    0.634029E+02 -0.235174E-07 0.100000E-04    0.978317E+00
  89    0.361640E-04    0.615758E+02 -0.587308E-06 0.100000E-04    0.994751E+00
  90    0.173401E-04    0.596522E+02 -0.290687E-06 0.100000E-04    0.991372E+00
  91   -0.518079E-06    0.588229E+02  0.880745E-08 0.100000E-04    0.961978E+00
  92    0.435998E-04    0.558794E+02 -0.780248E-06 0.100000E-04    0.995924E+00
  93   -0.383309E-04    0.533805E+02  0.718070E-06 0.100000E-04    0.997552E+00
  94   -0.265836E-04    0.522309E+02  0.508962E-06 0.100000E-04    0.992276E+00
  95   -0.342630E-04    0.502691E+02  0.681592E-06 0.100000E-04    0.998742E+00
  96    0.107244E-04    0.479360E+02 -0.223723E-06 0.100000E-04    0.997924E+00
  97   -0.286755E-04    0.432760E+02  0.662620E-06 0.100000E-04    0.993224E+00
  98   -0.213402E-04    0.400409E+02  0.532961E-06 0.100000E-04    0.994112E+00
  99    0.659683E-04    0.370289E+02 -0.178154E-05 0.100000E-04    0.988468E+00
 100   -0.213879E-04    0.360540E+02  0.593218E-06 0.100000E-04    0.982839E+00
 101    0.115796E-03    0.353817E+02 -0.327277E-05 0.100000E-04    0.998083E+00
 102    0.664349E-04    0.289455E+02 -0.229518E-05 0.100000E-04    0.994939E+00
 103    0.237213E-04    0.287755E+02 -0.824357E-06 0.100000E-04    0.959309E+00
 104   -0.438201E-04    0.286775E+02  0.152803E-05 0.100000E-04    0.998558E+00
 105   -0.340296E-04    0.230593E+02  0.147574E-05 0.100000E-04    0.993895E+00
 106    0.593828E-06    0.219323E+02 -0.270755E-07 0.100000E-04    0.498781E+00
 107    0.121677E-03    0.197441E+02 -0.616270E-05 0.100000E-04    0.996986E+00
 108   -0.639757E-04    0.167888E+02  0.381063E-05 0.100000E-04    0.990587E+00
 109   -0.748444E-04    0.137832E+02  0.543013E-05 0.100000E-04    0.999684E+00
 110   -0.127847E-03    0.123767E+02  0.100000E-04 0.100000E-04    0.981008E+00
 111    0.131720E-02    0.105758E+02 -0.100000E-04 0.100000E-04    0.675931E+00
 112    0.636188E-05    0.956303E+01 -0.665258E-06 0.100000E-04    0.958875E+00
 113    0.965763E-02    0.759721E+01 -0.131059E-04 0.131059E-04    0.127863E+00
 114    0.390958E+00    0.474762E+01  0.400000E-03 0.400000E-03    0.234950E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8179729877E-01

 Beginning of optimization cycle  185.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3869238135
 potential> RMS force:                                               0.0368054910   |gradient|=.3929751080    
 Eigenvalues of the Hessian matrix:
   724.58730    671.94424    624.99610    604.32718    589.44036    565.89939 
   564.75296    479.63580    468.37391    462.48102    441.35112    430.87335 
   421.01090    406.60811    398.04875    388.69742    367.15268    363.09190 
   351.93385    340.28654    324.63434    321.77586    318.63663    316.56439 
   305.08472    287.60710    279.56300    271.02763    265.87976    262.88826 
   258.10899    253.55820    243.08306    238.39974    235.20780    228.68051 
   223.08488    212.78554    211.57344    208.82241    203.15113    198.20257 
   195.51444    191.61030    185.74062    176.94139    170.99829    167.88793 
   165.62894    160.21085    153.49392    150.96974    149.06114    142.87864 
   136.94501    135.13923    130.90924    127.66327    125.98933    125.13081 
   119.48990    117.95604    116.68842    112.00846    109.37501    105.24288 
   102.89585    100.14987     96.96897     95.11126     91.23875     90.79460 
    89.13396     84.60885     80.89616     79.39370     78.52672     72.80715 
    71.61242     68.61935     67.86579     63.40233     61.56632     59.65224 
    58.82544     55.88060     53.37647     52.23060     50.26811     47.93458 
    43.27186     40.04336     37.02723     36.04823     35.38889     28.94317 
    28.77312     28.67219     23.05602     21.93172     19.74746     16.78971 
    13.78271     12.37505     10.56348      9.56448      7.59650      4.74566 
overlap for current and previous eigenvector    109 is         0.9999987332
overlap for current and previous eigenvector    110 is         0.9999983934
overlap for current and previous eigenvector    111 is         0.9999934365
overlap for current and previous eigenvector    112 is         0.9999961864
overlap for current and previous eigenvector    113 is         0.9999985595
overlap for current and previous eigenvector    114 is         0.9999995560
J1,K1,R1,R2,RAT=   7   7   -0.1667490987E-01     2.016508552        0.9833250901    
FOB,PFOB,DIAG,PSTEP=   -0.8715348243E-06   -0.8572392481E-06     724.5873007        0.1183170830E-08
J1,K1,R1,R2,RAT=   8   8   -0.1425593072E-01     2.014215084        0.9857440693    
FOB,PFOB,DIAG,PSTEP=   -0.2038226962E-05   -0.2009577973E-05     671.9442385        0.2990752656E-08
J1,K1,R1,R2,RAT=   9   9   -0.4542788516E-02     2.004491417        0.9954572115    
FOB,PFOB,DIAG,PSTEP=    0.7716206197E-06    0.7681310730E-06     624.9961045       -0.1229048946E-08
J1,K1,R1,R2,RAT=  10  10    0.4560486956E-02     1.995417540        0.9954175397    
FOB,PFOB,DIAG,PSTEP=    0.1568634762E-05    0.1575821353E-05     604.3271787       -0.2607591917E-08
J1,K1,R1,R2,RAT=  11  11    0.5096932789E-03     1.999509337        0.9994903067    
FOB,PFOB,DIAG,PSTEP=   -0.1073304211E-05   -0.1073851540E-05     589.4403557        0.1821798105E-08
J1,K1,R1,R2,RAT= 109 109   -0.1116490874E-02     2.001183504        0.9988835091    
FOB,PFOB,DIAG,PSTEP=   -0.7492798081E-04   -0.7484442050E-04     13.78271064        0.5430130165E-05
J1,K1,R1,R2,RAT= 110 110   -0.2222074077E-01     2.088420354        0.9777792592    
FOB,PFOB,DIAG,PSTEP=   -0.1305964018E-03   -0.1278465749E-03     12.37504587        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3347457528         25.27354472        0.6652542472    
FOB,PFOB,DIAG,PSTEP=    0.1352562895E-02    0.1317202106E-02     10.56347667       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7578434780E-01     2.075480731        0.9242156522    
FOB,PFOB,DIAG,PSTEP=    0.6844085757E-05    0.6361881513E-05     9.564484185       -0.6652577728E-06
J1,K1,R1,R2,RAT= 113 113   -0.7173108094         194.7259649        0.2826891906    
FOB,PFOB,DIAG,PSTEP=    0.9729046618E-02    0.9657632032E-02     7.596503937       -0.1310586771E-04
J1,K1,R1,R2,RAT= 114 114    0.9976396359        -412.9089964        0.2360364126E-02
FOB,PFOB,DIAG,PSTEP=    0.3928522113        0.3909584270         4.745662151        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001     -0.00001      0.00001 
     0.00001      0.00003     -0.00002     -0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00001      0.00000     -0.00003 
    -0.00001     -0.00003     -0.00003     -0.00003     -0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001      0.00002 
    -0.00003      0.00003      0.00001      0.00000      0.00004      0.00002 
    -0.00000      0.00004     -0.00004     -0.00003     -0.00003      0.00001 
    -0.00003     -0.00002      0.00007     -0.00002      0.00012      0.00007 
     0.00002     -0.00004     -0.00003      0.00000      0.00012     -0.00006 
    -0.00007     -0.00013      0.00135      0.00001      0.00973      0.39285 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385886473
 Log product of positive Hessian eigenvalues =          520.2667749780
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7456621507
 Unscaled step for mode    7=        0.0000000012
 Unscaled step for mode    8=        0.0000000030
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=        0.0000000008
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000058
 Unscaled step for mode   17=       -0.0000000054
 Unscaled step for mode   18=       -0.0000000098
 Unscaled step for mode   19=        0.0000000237
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000161
 Unscaled step for mode   22=       -0.0000000044
 Unscaled step for mode   23=        0.0000000037
 Unscaled step for mode   24=       -0.0000000041
 Unscaled step for mode   25=        0.0000000349
 Unscaled step for mode   26=        0.0000000583
 Unscaled step for mode   27=        0.0000000304
 Unscaled step for mode   28=        0.0000000036
 Unscaled step for mode   29=        0.0000000047
 Unscaled step for mode   30=        0.0000000538
 Unscaled step for mode   31=        0.0000000159
 Unscaled step for mode   32=        0.0000000064
 Unscaled step for mode   33=       -0.0000000234
 Unscaled step for mode   34=       -0.0000000134
 Unscaled step for mode   35=       -0.0000000684
 Unscaled step for mode   36=       -0.0000000218
 Unscaled step for mode   37=        0.0000000357
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000546
 Unscaled step for mode   40=       -0.0000000390
 Unscaled step for mode   41=       -0.0000000555
 Unscaled step for mode   42=        0.0000000206
 Unscaled step for mode   43=       -0.0000000200
 Unscaled step for mode   44=        0.0000000396
 Unscaled step for mode   45=       -0.0000000161
 Unscaled step for mode   46=       -0.0000000505
 Unscaled step for mode   47=        0.0000001026
 Unscaled step for mode   48=       -0.0000000032
 Unscaled step for mode   49=        0.0000000645
 Unscaled step for mode   50=        0.0000000391
 Unscaled step for mode   51=        0.0000000455
 Unscaled step for mode   52=        0.0000000006
 Unscaled step for mode   53=        0.0000000453
 Unscaled step for mode   54=        0.0000000367
 Unscaled step for mode   55=        0.0000000910
 Unscaled step for mode   56=       -0.0000000313
 Unscaled step for mode   57=       -0.0000000222
 Unscaled step for mode   58=        0.0000000875
 Unscaled step for mode   59=        0.0000000444
 Unscaled step for mode   60=       -0.0000000951
 Unscaled step for mode   61=       -0.0000000825
 Unscaled step for mode   62=       -0.0000001972
 Unscaled step for mode   63=        0.0000001362
 Unscaled step for mode   64=        0.0000000574
 Unscaled step for mode   65=       -0.0000000001
 Unscaled step for mode   66=        0.0000001618
 Unscaled step for mode   67=       -0.0000000159
 Unscaled step for mode   68=       -0.0000000514
 Unscaled step for mode   69=        0.0000000135
 Unscaled step for mode   70=       -0.0000001154
 Unscaled step for mode   71=       -0.0000000138
 Unscaled step for mode   72=        0.0000002698
 Unscaled step for mode   73=        0.0000001330
 Unscaled step for mode   74=        0.0000002692
 Unscaled step for mode   75=        0.0000002771
 Unscaled step for mode   76=        0.0000002630
 Unscaled step for mode   77=        0.0000005379
 Unscaled step for mode   78=        0.0000000304
 Unscaled step for mode   79=       -0.0000003397
 Unscaled step for mode   80=        0.0000001587
 Unscaled step for mode   81=        0.0000001693
 Unscaled step for mode   82=       -0.0000001766
 Unscaled step for mode   83=        0.0000001375
 Unscaled step for mode   84=       -0.0000002740
 Unscaled step for mode   85=        0.0000004386
 Unscaled step for mode   86=       -0.0000005075
 Unscaled step for mode   87=       -0.0000001344
 Unscaled step for mode   88=       -0.0000000230
 Unscaled step for mode   89=       -0.0000005897
 Unscaled step for mode   90=       -0.0000002909
 Unscaled step for mode   91=        0.0000000089
 Unscaled step for mode   92=       -0.0000007844
 Unscaled step for mode   93=        0.0000007176
 Unscaled step for mode   94=        0.0000005109
 Unscaled step for mode   95=        0.0000006806
 Unscaled step for mode   96=       -0.0000002248
 Unscaled step for mode   97=        0.0000006639
 Unscaled step for mode   98=        0.0000005356
 Unscaled step for mode   99=       -0.0000017931
 Unscaled step for mode  100=        0.0000005843
 Unscaled step for mode  101=       -0.0000032757
 Unscaled step for mode  102=       -0.0000022984
 Unscaled step for mode  103=       -0.0000008542
 Unscaled step for mode  104=        0.0000015147
 Unscaled step for mode  105=        0.0000014835
 Unscaled step for mode  106=       -0.0000000143
 Unscaled step for mode  107=       -0.0000061690
 Unscaled step for mode  108=        0.0000037932
 Unscaled step for mode  109=        0.0000054364
 Unscaled step for mode  110=        0.0000105532
 Unscaled step for mode  111=       -0.0001280415
 Unscaled step for mode  112=       -0.0000007156
 Unscaled step for mode  113=       -0.0012807248
 Unscaled step for mode  114=        0.0822216918
 Largest modulus ratio of non-zero e/values=           152.6841308    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.513912E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.104083E-15    0.100748E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.353884E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.203830E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.869583E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.373670E-15    0.973654E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.871535E-06    0.724587E+03  0.120280E-08 0.100000E-04    0.983325E+00
   8   -0.203823E-05    0.671944E+03  0.303333E-08 0.100000E-04    0.985744E+00
   9    0.771621E-06    0.624996E+03 -0.123460E-08 0.100000E-04    0.995457E+00
  10    0.156863E-05    0.604327E+03 -0.259567E-08 0.100000E-04    0.995418E+00
  11   -0.107330E-05    0.589440E+03  0.182089E-08 0.100000E-04    0.999490E+00
  12    0.321585E-05    0.565899E+03 -0.568273E-08 0.100000E-04    0.996678E+00
  13   -0.448270E-06    0.564753E+03  0.793746E-09 0.100000E-04    0.826954E+00
  14   -0.548963E-05    0.479636E+03  0.114454E-07 0.100000E-04    0.997157E+00
  15    0.184098E-05    0.468374E+03 -0.393059E-08 0.100000E-04    0.994649E+00
  16    0.270391E-05    0.462481E+03 -0.584654E-08 0.100000E-04    0.994307E+00
  17    0.236558E-05    0.441351E+03 -0.535986E-08 0.100000E-04    0.997575E+00
  18    0.422380E-05    0.430873E+03 -0.980288E-08 0.100000E-04    0.996746E+00
  19   -0.998274E-05    0.421011E+03  0.237114E-07 0.100000E-04    0.996045E+00
  20    0.892389E-05    0.406608E+03 -0.219471E-07 0.100000E-04    0.999370E+00
  21    0.639383E-05    0.398049E+03 -0.160629E-07 0.100000E-04    0.998013E+00
  22    0.169752E-05    0.388697E+03 -0.436721E-08 0.100000E-04    0.983236E+00
  23   -0.137526E-05    0.367153E+03  0.374574E-08 0.100000E-04    0.988244E+00
  24    0.150592E-05    0.363092E+03 -0.414748E-08 0.100000E-04    0.992757E+00
  25   -0.122656E-04    0.351934E+03  0.348521E-07 0.100000E-04    0.995334E+00
  26   -0.198229E-04    0.340287E+03  0.582537E-07 0.100000E-04    0.994982E+00
  27   -0.987794E-05    0.324634E+03  0.304279E-07 0.100000E-04    0.994533E+00
  28   -0.114372E-05    0.321776E+03  0.355440E-08 0.100000E-04    0.934184E+00
  29   -0.151278E-05    0.318637E+03  0.474765E-08 0.100000E-04    0.952065E+00
  30   -0.170214E-04    0.316564E+03  0.537691E-07 0.100000E-04    0.993525E+00
  31   -0.484418E-05    0.305085E+03  0.158782E-07 0.100000E-04    0.987722E+00
  32   -0.184149E-05    0.287607E+03  0.640281E-08 0.100000E-04    0.988877E+00
  33    0.654330E-05    0.279563E+03 -0.234054E-07 0.100000E-04    0.996417E+00
  34    0.363461E-05    0.271028E+03 -0.134105E-07 0.100000E-04    0.994995E+00
  35    0.181973E-04    0.265880E+03 -0.684420E-07 0.100000E-04    0.995418E+00
  36    0.572093E-05    0.262888E+03 -0.217618E-07 0.100000E-04    0.989322E+00
  37   -0.921646E-05    0.258109E+03  0.357076E-07 0.100000E-04    0.993858E+00
  38   -0.371439E-05    0.253558E+03  0.146491E-07 0.100000E-04    0.997067E+00
  39   -0.132828E-04    0.243083E+03  0.546431E-07 0.100000E-04    0.996706E+00
  40    0.930009E-05    0.238400E+03 -0.390105E-07 0.100000E-04    0.993665E+00
  41    0.130633E-04    0.235208E+03 -0.555394E-07 0.100000E-04    0.988863E+00
  42   -0.470601E-05    0.228681E+03  0.205790E-07 0.100000E-04    0.991390E+00
  43    0.445236E-05    0.223085E+03 -0.199581E-07 0.100000E-04    0.987412E+00
  44   -0.843555E-05    0.212786E+03  0.396434E-07 0.100000E-04    0.984832E+00
  45    0.341045E-05    0.211573E+03 -0.161195E-07 0.100000E-04    0.990007E+00
  46    0.105378E-04    0.208822E+03 -0.504631E-07 0.100000E-04    0.991547E+00
  47   -0.208526E-04    0.203151E+03  0.102646E-06 0.100000E-04    0.994425E+00
  48    0.626808E-06    0.198203E+03 -0.316246E-08 0.100000E-04    0.956499E+00
  49   -0.126060E-04    0.195514E+03  0.644763E-07 0.100000E-04    0.992351E+00
  50   -0.749817E-05    0.191610E+03  0.391324E-07 0.100000E-04    0.999077E+00
  51   -0.845622E-05    0.185741E+03  0.455270E-07 0.100000E-04    0.992233E+00
  52   -0.982548E-07    0.176941E+03  0.555296E-09 0.100000E-04    0.800956E+00
  53   -0.774125E-05    0.170998E+03  0.452709E-07 0.100000E-04    0.995523E+00
  54   -0.616871E-05    0.167888E+03  0.367430E-07 0.100000E-04    0.988483E+00
  55   -0.150775E-04    0.165629E+03  0.910319E-07 0.100000E-04    0.995871E+00
  56    0.501231E-05    0.160211E+03 -0.312857E-07 0.100000E-04    0.999697E+00
  57    0.340990E-05    0.153494E+03 -0.222152E-07 0.100000E-04    0.990225E+00
  58   -0.132069E-04    0.150970E+03  0.874808E-07 0.100000E-04    0.994417E+00
  59   -0.661364E-05    0.149061E+03  0.443687E-07 0.100000E-04    0.998600E+00
  60    0.135946E-04    0.142879E+03 -0.951482E-07 0.100000E-04    0.993675E+00
  61    0.113048E-04    0.136945E+03 -0.825499E-07 0.100000E-04    0.995049E+00
  62    0.266455E-04    0.135139E+03 -0.197171E-06 0.100000E-04    0.997577E+00
  63   -0.178345E-04    0.130909E+03  0.136236E-06 0.100000E-04    0.998135E+00
  64   -0.732737E-05    0.127663E+03  0.573961E-07 0.100000E-04    0.987423E+00
  65    0.132476E-07    0.125989E+03 -0.105149E-09 0.100000E-04    0.363250E+00
  66   -0.202424E-04    0.125131E+03  0.161770E-06 0.100000E-04    0.996973E+00
  67    0.189734E-05    0.119490E+03 -0.158786E-07 0.100000E-04    0.981177E+00
  68    0.606097E-05    0.117956E+03 -0.513833E-07 0.100000E-04    0.995833E+00
  69   -0.158011E-05    0.116688E+03  0.135413E-07 0.100000E-04    0.989596E+00
  70    0.129254E-04    0.112008E+03 -0.115397E-06 0.100000E-04    0.990932E+00
  71    0.151169E-05    0.109375E+03 -0.138212E-07 0.100000E-04    0.984131E+00
  72   -0.283993E-04    0.105243E+03  0.269845E-06 0.100000E-04    0.995280E+00
  73   -0.136899E-04    0.102896E+03  0.133046E-06 0.100000E-04    0.991867E+00
  74   -0.269639E-04    0.100150E+03  0.269236E-06 0.100000E-04    0.998594E+00
  75   -0.268741E-04    0.969690E+02  0.277141E-06 0.100000E-04    0.991016E+00
  76   -0.250177E-04    0.951113E+02  0.263036E-06 0.100000E-04    0.995654E+00
  77   -0.490809E-04    0.912388E+02  0.537940E-06 0.100000E-04    0.994533E+00
  78   -0.276115E-05    0.907946E+02  0.304109E-07 0.100000E-04    0.975208E+00
  79    0.302823E-04    0.891340E+02 -0.339740E-06 0.100000E-04    0.995783E+00
  80   -0.134285E-04    0.846089E+02  0.158713E-06 0.100000E-04    0.993350E+00
  81   -0.136978E-04    0.808962E+02  0.169326E-06 0.100000E-04    0.996172E+00
  82    0.140200E-04    0.793937E+02 -0.176588E-06 0.100000E-04    0.994309E+00
  83   -0.107949E-04    0.785267E+02  0.137468E-06 0.100000E-04    0.992515E+00
  84    0.199497E-04    0.728071E+02 -0.274008E-06 0.100000E-04    0.995578E+00
  85   -0.314099E-04    0.716124E+02  0.438610E-06 0.100000E-04    0.997430E+00
  86    0.348271E-04    0.686194E+02 -0.507540E-06 0.100000E-04    0.999263E+00
  87    0.912431E-05    0.678658E+02 -0.134446E-06 0.100000E-04    0.955883E+00
  88    0.145542E-05    0.634023E+02 -0.229553E-07 0.100000E-04    0.976093E+00
  89    0.363036E-04    0.615663E+02 -0.589666E-06 0.100000E-04    0.996139E+00
  90    0.173534E-04    0.596522E+02 -0.290910E-06 0.100000E-04    0.999234E+00
  91   -0.525091E-06    0.588254E+02  0.892626E-08 0.100000E-04    0.986466E+00
  92    0.438349E-04    0.558806E+02 -0.784438E-06 0.100000E-04    0.994609E+00
  93   -0.383009E-04    0.533765E+02  0.717561E-06 0.100000E-04    0.999216E+00
  94   -0.266870E-04    0.522306E+02  0.510945E-06 0.100000E-04    0.996110E+00
  95   -0.342106E-04    0.502681E+02  0.680563E-06 0.100000E-04    0.998471E+00
  96    0.107752E-04    0.479346E+02 -0.224791E-06 0.100000E-04    0.995256E+00
  97   -0.287280E-04    0.432719E+02  0.663895E-06 0.100000E-04    0.998170E+00
  98   -0.214457E-04    0.400434E+02  0.535562E-06 0.100000E-04    0.995059E+00
  99    0.663941E-04    0.370272E+02 -0.179311E-05 0.100000E-04    0.993545E+00
 100   -0.210622E-04    0.360482E+02  0.584279E-06 0.100000E-04    0.984773E+00
 101    0.115923E-03    0.353889E+02 -0.327569E-05 0.100000E-04    0.998905E+00
 102    0.665222E-04    0.289432E+02 -0.229837E-05 0.100000E-04    0.998686E+00
 103    0.245791E-04    0.287731E+02 -0.854239E-06 0.100000E-04    0.963833E+00
 104   -0.434294E-04    0.286722E+02  0.151469E-05 0.100000E-04    0.991082E+00
 105   -0.342029E-04    0.230560E+02  0.148347E-05 0.100000E-04    0.994907E+00
 106    0.314638E-06    0.219317E+02 -0.143462E-07 0.100000E-04    0.529834E+00
 107    0.121822E-03    0.197475E+02 -0.616898E-05 0.100000E-04    0.998808E+00
 108   -0.636866E-04    0.167897E+02  0.379319E-05 0.100000E-04    0.995368E+00
 109   -0.749280E-04    0.137827E+02  0.543637E-05 0.100000E-04    0.998884E+00
 110   -0.130596E-03    0.123750E+02  0.100000E-04 0.100000E-04    0.977779E+00
 111    0.135256E-02    0.105635E+02 -0.100000E-04 0.100000E-04    0.665254E+00
 112    0.684409E-05    0.956448E+01 -0.715573E-06 0.100000E-04    0.924216E+00
 113    0.972905E-02    0.759650E+01 -0.118071E-04 0.118071E-04    0.282689E+00
 114    0.392852E+00    0.474566E+01  0.400000E-03 0.400000E-03    0.236036E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8222169177E-01

 Beginning of optimization cycle  186.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3867664223
 potential> RMS force:                                               0.0369829289   |gradient|=.3948696254    
 Eigenvalues of the Hessian matrix:
   724.64763    671.95804    625.01215    604.33357    589.43480    565.92505 
   564.78484    479.65570    468.35103    462.47137    441.35007    430.86407 
   421.01816    406.61883    398.04468    388.70025    367.15607    363.08202 
   351.92579    340.25044    324.64088    321.77020    318.65000    316.54045 
   305.08017    287.61179    279.55789    271.02267    265.88323    262.89825 
   258.11616    253.56070    243.07461    238.38670    235.21884    228.68173 
   223.06545    212.78952    211.57826    208.80951    203.15440    198.19861 
   195.51494    191.61019    185.73123    176.92737    171.00329    167.88417 
   165.62714    160.20474    153.49400    150.96897    149.06460    142.88183 
   136.94541    135.14465    130.90776    127.66369    125.99163    125.13647 
   119.49118    117.95651    116.69142    112.00112    109.36426    105.23926 
   102.89723    100.14607     96.96376     95.11185     91.24799     90.78899 
    89.14427     84.61091     80.89644     79.39713     78.52467     72.80526 
    71.61595     68.61099     67.86564     63.40179     61.55689     59.65228 
    58.82804     55.88178     53.37248     52.23031     50.26715     47.93321 
    43.26778     40.04581     37.02571     36.04244     35.39607     28.94096 
    28.77099     28.66657     23.05273     21.93110     19.75092     16.79066 
    13.78226     12.37340     10.55117      9.56592      7.59580      4.74368 
overlap for current and previous eigenvector    109 is         0.9999987495
overlap for current and previous eigenvector    110 is         0.9999984190
overlap for current and previous eigenvector    111 is         0.9999932906
overlap for current and previous eigenvector    112 is         0.9999959976
overlap for current and previous eigenvector    113 is         0.9999985420
overlap for current and previous eigenvector    114 is         0.9999995586
J1,K1,R1,R2,RAT=   7   7   -0.2015189199E-01     2.019985394        0.9798481080    
FOB,PFOB,DIAG,PSTEP=   -0.8890993622E-06   -0.8715348243E-06     724.6476270        0.1202801682E-08
J1,K1,R1,R2,RAT=   8   8   -0.1463365334E-02     2.001422299        0.9985366347    
FOB,PFOB,DIAG,PSTEP=   -0.2041209694E-05   -0.2038226962E-05     671.9580360        0.3033327538E-08
J1,K1,R1,R2,RAT=   9   9    0.8769563337E-02     1.991179103        0.9911791032    
FOB,PFOB,DIAG,PSTEP=    0.7648536701E-06    0.7716206197E-06     625.0121465       -0.1234600686E-08
J1,K1,R1,R2,RAT=  10  10   -0.8124613484E-02     2.008103447        0.9918753865    
FOB,PFOB,DIAG,PSTEP=    0.1581379448E-05    0.1568634762E-05     604.3335747       -0.2595671379E-08
J1,K1,R1,R2,RAT=  11  11   -0.3834372200E-02     2.003853208        0.9961656278    
FOB,PFOB,DIAG,PSTEP=   -0.1077419620E-05   -0.1073304211E-05     589.4348044        0.1820886881E-08
J1,K1,R1,R2,RAT= 109 109   -0.2712544842E-03     2.000336515        0.9997287455    
FOB,PFOB,DIAG,PSTEP=   -0.7494830470E-04   -0.7492798081E-04     13.78226092        0.5436374800E-05
J1,K1,R1,R2,RAT= 110 110   -0.3263647191E-01     2.143558780        0.9673635281    
FOB,PFOB,DIAG,PSTEP=   -0.1346346421E-03   -0.1305964018E-03     12.37339729        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3322868903         25.97043982        0.6677131097    
FOB,PFOB,DIAG,PSTEP=    0.1387623059E-02    0.1352562895E-02     10.55117269       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.3440907642E-01     1.965291679        0.9652916792    
FOB,PFOB,DIAG,PSTEP=    0.6608551846E-05    0.6844085757E-05     9.565915458       -0.7155729075E-06
J1,K1,R1,R2,RAT= 113 113   -0.9038876626         217.8661655        0.9611233741E-01
FOB,PFOB,DIAG,PSTEP=    0.9810111081E-02    0.9729046618E-02     7.595795210       -0.1180708802E-04
J1,K1,R1,R2,RAT= 114 114    0.9976309116        -415.0770818        0.2369088400E-02
FOB,PFOB,DIAG,PSTEP=    0.3947451886        0.3928522113         4.743681562        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001     -0.00001      0.00001 
     0.00001      0.00003     -0.00002     -0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00001     -0.00000     -0.00003 
    -0.00001     -0.00003     -0.00003     -0.00003     -0.00005      0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001      0.00002 
    -0.00003     -0.00003     -0.00001     -0.00000      0.00004      0.00002 
    -0.00000      0.00004     -0.00004     -0.00003     -0.00003      0.00001 
    -0.00003     -0.00002      0.00007     -0.00002      0.00012      0.00007 
     0.00003     -0.00004     -0.00003      0.00000      0.00012     -0.00006 
    -0.00007     -0.00013      0.00139      0.00001      0.00981      0.39475 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385691537
 Log product of positive Hessian eigenvalues =          520.2643279904
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7436815624
 Unscaled step for mode    7=        0.0000000012
 Unscaled step for mode    8=        0.0000000030
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000057
 Unscaled step for mode   13=        0.0000000009
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000059
 Unscaled step for mode   17=       -0.0000000054
 Unscaled step for mode   18=       -0.0000000098
 Unscaled step for mode   19=        0.0000000238
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000161
 Unscaled step for mode   22=       -0.0000000045
 Unscaled step for mode   23=        0.0000000037
 Unscaled step for mode   24=       -0.0000000041
 Unscaled step for mode   25=        0.0000000350
 Unscaled step for mode   26=        0.0000000586
 Unscaled step for mode   27=        0.0000000306
 Unscaled step for mode   28=        0.0000000033
 Unscaled step for mode   29=        0.0000000044
 Unscaled step for mode   30=        0.0000000540
 Unscaled step for mode   31=        0.0000000160
 Unscaled step for mode   32=        0.0000000065
 Unscaled step for mode   33=       -0.0000000236
 Unscaled step for mode   34=       -0.0000000136
 Unscaled step for mode   35=       -0.0000000686
 Unscaled step for mode   36=       -0.0000000220
 Unscaled step for mode   37=        0.0000000359
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000549
 Unscaled step for mode   40=       -0.0000000392
 Unscaled step for mode   41=       -0.0000000561
 Unscaled step for mode   42=        0.0000000207
 Unscaled step for mode   43=       -0.0000000201
 Unscaled step for mode   44=        0.0000000399
 Unscaled step for mode   45=       -0.0000000162
 Unscaled step for mode   46=       -0.0000000507
 Unscaled step for mode   47=        0.0000001030
 Unscaled step for mode   48=       -0.0000000033
 Unscaled step for mode   49=        0.0000000648
 Unscaled step for mode   50=        0.0000000395
 Unscaled step for mode   51=        0.0000000457
 Unscaled step for mode   52=        0.0000000006
 Unscaled step for mode   53=        0.0000000454
 Unscaled step for mode   54=        0.0000000370
 Unscaled step for mode   55=        0.0000000913
 Unscaled step for mode   56=       -0.0000000314
 Unscaled step for mode   57=       -0.0000000224
 Unscaled step for mode   58=        0.0000000881
 Unscaled step for mode   59=        0.0000000442
 Unscaled step for mode   60=       -0.0000000954
 Unscaled step for mode   61=       -0.0000000833
 Unscaled step for mode   62=       -0.0000001979
 Unscaled step for mode   63=        0.0000001370
 Unscaled step for mode   64=        0.0000000580
 Unscaled step for mode   65=       -0.0000000000
 Unscaled step for mode   66=        0.0000001626
 Unscaled step for mode   67=       -0.0000000158
 Unscaled step for mode   68=       -0.0000000517
 Unscaled step for mode   69=        0.0000000139
 Unscaled step for mode   70=       -0.0000001159
 Unscaled step for mode   71=        0.0000000141
 Unscaled step for mode   72=        0.0000002719
 Unscaled step for mode   73=        0.0000001340
 Unscaled step for mode   74=        0.0000002703
 Unscaled step for mode   75=        0.0000002793
 Unscaled step for mode   76=        0.0000002640
 Unscaled step for mode   77=        0.0000005401
 Unscaled step for mode   78=       -0.0000000300
 Unscaled step for mode   79=       -0.0000003391
 Unscaled step for mode   80=        0.0000001595
 Unscaled step for mode   81=        0.0000001702
 Unscaled step for mode   82=       -0.0000001763
 Unscaled step for mode   83=        0.0000001376
 Unscaled step for mode   84=       -0.0000002763
 Unscaled step for mode   85=        0.0000004413
 Unscaled step for mode   86=        0.0000005076
 Unscaled step for mode   87=        0.0000001397
 Unscaled step for mode   88=        0.0000000234
 Unscaled step for mode   89=       -0.0000005928
 Unscaled step for mode   90=       -0.0000002934
 Unscaled step for mode   91=        0.0000000092
 Unscaled step for mode   92=       -0.0000007876
 Unscaled step for mode   93=        0.0000007193
 Unscaled step for mode   94=        0.0000005148
 Unscaled step for mode   95=        0.0000006814
 Unscaled step for mode   96=       -0.0000002243
 Unscaled step for mode   97=        0.0000006684
 Unscaled step for mode   98=        0.0000005387
 Unscaled step for mode   99=       -0.0000018134
 Unscaled step for mode  100=        0.0000005737
 Unscaled step for mode  101=       -0.0000032810
 Unscaled step for mode  102=       -0.0000023099
 Unscaled step for mode  103=       -0.0000008835
 Unscaled step for mode  104=        0.0000015135
 Unscaled step for mode  105=        0.0000014926
 Unscaled step for mode  106=       -0.0000000307
 Unscaled step for mode  107=       -0.0000061857
 Unscaled step for mode  108=        0.0000037569
 Unscaled step for mode  109=        0.0000054380
 Unscaled step for mode  110=        0.0000108810
 Unscaled step for mode  111=       -0.0001315136
 Unscaled step for mode  112=       -0.0000006908
 Unscaled step for mode  113=       -0.0012915165
 Unscaled step for mode  114=        0.0826465469
 Largest modulus ratio of non-zero e/values=           152.7605969    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.122298E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.248282E-15    0.100748E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.346402E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.998333E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.767832E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.301950E-16    0.973656E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.889099E-06    0.724648E+03  0.122694E-08 0.100000E-04    0.979848E+00
   8   -0.204121E-05    0.671958E+03  0.303770E-08 0.100000E-04    0.998537E+00
   9    0.764854E-06    0.625012E+03 -0.122374E-08 0.100000E-04    0.991179E+00
  10    0.158138E-05    0.604334E+03 -0.261673E-08 0.100000E-04    0.991875E+00
  11   -0.107742E-05    0.589435E+03  0.182789E-08 0.100000E-04    0.996166E+00
  12    0.320420E-05    0.565925E+03 -0.566189E-08 0.100000E-04    0.996287E+00
  13   -0.485410E-06    0.564785E+03  0.859460E-09 0.100000E-04    0.917153E+00
  14   -0.548612E-05    0.479656E+03  0.114376E-07 0.100000E-04    0.999278E+00
  15    0.183123E-05    0.468351E+03 -0.390994E-08 0.100000E-04    0.994699E+00
  16    0.273160E-05    0.462471E+03 -0.590653E-08 0.100000E-04    0.989759E+00
  17    0.239476E-05    0.441350E+03 -0.542598E-08 0.100000E-04    0.987667E+00
  18    0.423087E-05    0.430864E+03 -0.981951E-08 0.100000E-04    0.998325E+00
  19   -0.100342E-04    0.421018E+03  0.238331E-07 0.100000E-04    0.994849E+00
  20    0.894079E-05    0.406619E+03 -0.219881E-07 0.100000E-04    0.998106E+00
  21    0.641862E-05    0.398045E+03 -0.161254E-07 0.100000E-04    0.996122E+00
  22    0.173199E-05    0.388700E+03 -0.445585E-08 0.100000E-04    0.979697E+00
  23   -0.137170E-05    0.367156E+03  0.373602E-08 0.100000E-04    0.997396E+00
  24    0.149374E-05    0.363082E+03 -0.411405E-08 0.100000E-04    0.991914E+00
  25   -0.123208E-04    0.351926E+03  0.350095E-07 0.100000E-04    0.995506E+00
  26   -0.199303E-04    0.340250E+03  0.585752E-07 0.100000E-04    0.994586E+00
  27   -0.992098E-05    0.324641E+03  0.305599E-07 0.100000E-04    0.995643E+00
  28   -0.105602E-05    0.321770E+03  0.328191E-08 0.100000E-04    0.923317E+00
  29   -0.141292E-05    0.318650E+03  0.443407E-08 0.100000E-04    0.933909E+00
  30   -0.171014E-04    0.316540E+03  0.540260E-07 0.100000E-04    0.995297E+00
  31   -0.487641E-05    0.305080E+03  0.159840E-07 0.100000E-04    0.993348E+00
  32   -0.186999E-05    0.287612E+03  0.650180E-08 0.100000E-04    0.984524E+00
  33    0.658751E-05    0.279558E+03 -0.235640E-07 0.100000E-04    0.993242E+00
  34    0.367554E-05    0.271023E+03 -0.135617E-07 0.100000E-04    0.988739E+00
  35    0.182495E-04    0.265883E+03 -0.686374E-07 0.100000E-04    0.997132E+00
  36    0.578457E-05    0.262898E+03 -0.220031E-07 0.100000E-04    0.988877E+00
  37   -0.927172E-05    0.258116E+03  0.359207E-07 0.100000E-04    0.994004E+00
  38   -0.371065E-05    0.253561E+03  0.146342E-07 0.100000E-04    0.998973E+00
  39   -0.133401E-04    0.243075E+03  0.548808E-07 0.100000E-04    0.995685E+00
  40    0.933791E-05    0.238387E+03 -0.391713E-07 0.100000E-04    0.995933E+00
  41    0.132025E-04    0.235219E+03 -0.561284E-07 0.100000E-04    0.989347E+00
  42   -0.473408E-05    0.228682E+03  0.207016E-07 0.100000E-04    0.994036E+00
  43    0.448444E-05    0.223065E+03 -0.201037E-07 0.100000E-04    0.992793E+00
  44   -0.849291E-05    0.212790E+03  0.399123E-07 0.100000E-04    0.993200E+00
  45    0.341724E-05    0.211578E+03 -0.161512E-07 0.100000E-04    0.998009E+00
  46    0.105949E-04    0.208810E+03 -0.507396E-07 0.100000E-04    0.994582E+00
  47   -0.209281E-04    0.203154E+03  0.103016E-06 0.100000E-04    0.996381E+00
  48    0.648978E-06    0.198199E+03 -0.327438E-08 0.100000E-04    0.964630E+00
  49   -0.126660E-04    0.195515E+03  0.647828E-07 0.100000E-04    0.995244E+00
  50   -0.756188E-05    0.191610E+03  0.394649E-07 0.100000E-04    0.991502E+00
  51   -0.848872E-05    0.185731E+03  0.457043E-07 0.100000E-04    0.996156E+00
  52   -0.103099E-06    0.176927E+03  0.582718E-09 0.100000E-04    0.950697E+00
  53   -0.776905E-05    0.171003E+03  0.454322E-07 0.100000E-04    0.996410E+00
  54   -0.621203E-05    0.167884E+03  0.370019E-07 0.100000E-04    0.992977E+00
  55   -0.151249E-04    0.165627E+03  0.913190E-07 0.100000E-04    0.996857E+00
  56    0.503811E-05    0.160205E+03 -0.314479E-07 0.100000E-04    0.994852E+00
  57    0.343959E-05    0.153494E+03 -0.224086E-07 0.100000E-04    0.991292E+00
  58   -0.132941E-04    0.150969E+03  0.880588E-07 0.100000E-04    0.993398E+00
  59   -0.658420E-05    0.149065E+03  0.441701E-07 0.100000E-04    0.995503E+00
  60    0.136338E-04    0.142882E+03 -0.954205E-07 0.100000E-04    0.997116E+00
  61    0.114037E-04    0.136945E+03 -0.832720E-07 0.100000E-04    0.991250E+00
  62    0.267424E-04    0.135145E+03 -0.197879E-06 0.100000E-04    0.996367E+00
  63   -0.179329E-04    0.130908E+03  0.136989E-06 0.100000E-04    0.994484E+00
  64   -0.740630E-05    0.127664E+03  0.580142E-07 0.100000E-04    0.989228E+00
  65    0.495473E-08    0.125992E+03 -0.393259E-10 0.100000E-04    0.373984E+00
  66   -0.203475E-04    0.125136E+03  0.162602E-06 0.100000E-04    0.994806E+00
  67    0.189140E-05    0.119491E+03 -0.158288E-07 0.100000E-04    0.996852E+00
  68    0.609773E-05    0.117957E+03 -0.516948E-07 0.100000E-04    0.993934E+00
  69   -0.161973E-05    0.116691E+03  0.138805E-07 0.100000E-04    0.974925E+00
  70    0.129840E-04    0.112001E+03 -0.115927E-06 0.100000E-04    0.995468E+00
  71   -0.153864E-05    0.109364E+03  0.140690E-07 0.100000E-04    0.982169E+00
  72   -0.286107E-04    0.105239E+03  0.271863E-06 0.100000E-04    0.992557E+00
  73   -0.137897E-04    0.102897E+03  0.134015E-06 0.100000E-04    0.992706E+00
  74   -0.270651E-04    0.100146E+03  0.270257E-06 0.100000E-04    0.996246E+00
  75   -0.270805E-04    0.969638E+02  0.279285E-06 0.100000E-04    0.992317E+00
  76   -0.251076E-04    0.951118E+02  0.263979E-06 0.100000E-04    0.996409E+00
  77   -0.492810E-04    0.912480E+02  0.540078E-06 0.100000E-04    0.995924E+00
  78    0.272545E-05    0.907890E+02 -0.300196E-07 0.100000E-04    0.987073E+00
  79    0.302326E-04    0.891443E+02 -0.339142E-06 0.100000E-04    0.998125E+00
  80   -0.134971E-04    0.846109E+02  0.159520E-06 0.100000E-04    0.994889E+00
  81   -0.137658E-04    0.808964E+02  0.170166E-06 0.100000E-04    0.995040E+00
  82    0.139953E-04    0.793971E+02 -0.176270E-06 0.100000E-04    0.998156E+00
  83   -0.108023E-04    0.785247E+02  0.137565E-06 0.100000E-04    0.999315E+00
  84    0.201179E-04    0.728053E+02 -0.276325E-06 0.100000E-04    0.991570E+00
  85   -0.316024E-04    0.716160E+02  0.441276E-06 0.100000E-04    0.993871E+00
  86   -0.348278E-04    0.686110E+02  0.507613E-06 0.100000E-04    0.999978E+00
  87   -0.948259E-05    0.678656E+02  0.139726E-06 0.100000E-04    0.960734E+00
  88   -0.148509E-05    0.634018E+02  0.234235E-07 0.100000E-04    0.979616E+00
  89    0.364920E-04    0.615569E+02 -0.592818E-06 0.100000E-04    0.994808E+00
  90    0.175014E-04    0.596523E+02 -0.293391E-06 0.100000E-04    0.991471E+00
  91   -0.543534E-06    0.588280E+02  0.923936E-08 0.100000E-04    0.964879E+00
  92    0.440103E-04    0.558818E+02 -0.787560E-06 0.100000E-04    0.995999E+00
  93   -0.383916E-04    0.533725E+02  0.719314E-06 0.100000E-04    0.997632E+00
  94   -0.268900E-04    0.522303E+02  0.514835E-06 0.100000E-04    0.992393E+00
  95   -0.342510E-04    0.502671E+02  0.681379E-06 0.100000E-04    0.998820E+00
  96    0.107522E-04    0.479332E+02 -0.224316E-06 0.100000E-04    0.997861E+00
  97   -0.289203E-04    0.432678E+02  0.668403E-06 0.100000E-04    0.993304E+00
  98   -0.215716E-04    0.400458E+02  0.538674E-06 0.100000E-04    0.994129E+00
  99    0.671415E-04    0.370257E+02 -0.181337E-05 0.100000E-04    0.988742E+00
 100   -0.206791E-04    0.360424E+02  0.573743E-06 0.100000E-04    0.981806E+00
 101    0.116134E-03    0.353961E+02 -0.328100E-05 0.100000E-04    0.998177E+00
 102    0.668510E-04    0.289410E+02 -0.230991E-05 0.100000E-04    0.995057E+00
 103    0.254205E-04    0.287710E+02 -0.883546E-06 0.100000E-04    0.965766E+00
 104   -0.433868E-04    0.286666E+02  0.151350E-05 0.100000E-04    0.999019E+00
 105   -0.344095E-04    0.230527E+02  0.149265E-05 0.100000E-04    0.993957E+00
 106    0.672390E-06    0.219311E+02 -0.306592E-07 0.109000E-04    0.137061E+00
 107    0.122173E-03    0.197509E+02 -0.618568E-05 0.100000E-04    0.997118E+00
 108   -0.630809E-04    0.167907E+02  0.375691E-05 0.100000E-04    0.990377E+00
 109   -0.749483E-04    0.137823E+02  0.543803E-05 0.100000E-04    0.999729E+00
 110   -0.134635E-03    0.123734E+02  0.100000E-04 0.100000E-04    0.967364E+00
 111    0.138762E-02    0.105512E+02 -0.100000E-04 0.100000E-04    0.667713E+00
 112    0.660855E-05    0.956592E+01 -0.690844E-06 0.100000E-04    0.965292E+00
 113    0.981011E-02    0.759580E+01 -0.128697E-04 0.128697E-04    0.961123E-01
 114    0.394745E+00    0.474368E+01  0.400000E-03 0.400000E-03    0.236909E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8264654689E-01

 Beginning of optimization cycle  187.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3866082858
 potential> RMS force:                                               0.0371602714   |gradient|=.3967631260    
 Eigenvalues of the Hessian matrix:
   724.70792    671.97170    625.02810    604.33997    589.42911    565.95106 
   564.81640    479.67563    468.32813    462.46178    441.34907    430.85487 
   421.02545    406.62955    398.04062    388.70306    367.15953    363.07214 
   351.91782    340.21448    324.64747    321.76466    318.66344    316.51630 
   305.07560    287.61652    279.55277    271.01778    265.88679    262.90831 
   258.12348    253.56322    243.06627    238.37373    235.22988    228.68296 
   223.04602    212.79360    211.58311    208.79663    203.15770    198.19468 
   195.51542    191.61007    185.72183    176.91335    171.00831    167.88042 
   165.62533    160.19857    153.49417    150.96823    149.06793    142.88499 
   136.94582    135.15009    130.90625    127.66415    125.99388    125.14211 
   119.49246    117.95697    116.69440    111.99378    109.35346    105.23562 
   102.89862    100.14229     96.95849     95.11240     91.25729     90.78339 
    89.15453     84.61299     80.89672     79.40056     78.52262     72.80337 
    71.61946     68.60266     67.86535     63.40127     61.54741     59.65232 
    58.83061     55.88296     53.36844     52.23003     50.26617     47.93180 
    43.26371     40.04824     37.02429     36.03647     35.40319     28.93882 
    28.76905     28.66067     23.04948     21.93046     19.75438     16.79159 
    13.78182     12.37177     10.53887      9.56734      7.59505      4.74167 
overlap for current and previous eigenvector    109 is         0.9999987624
overlap for current and previous eigenvector    110 is         0.9999984496
overlap for current and previous eigenvector    111 is         0.9999931154
overlap for current and previous eigenvector    112 is         0.9999957785
overlap for current and previous eigenvector    113 is         0.9999985228
overlap for current and previous eigenvector    114 is         0.9999995606
J1,K1,R1,R2,RAT=   7   7   -0.1634655789E-01     2.016180156        0.9836534421    
FOB,PFOB,DIAG,PSTEP=   -0.9036342857E-06   -0.8890993622E-06     724.7079234        0.1226940280E-08
J1,K1,R1,R2,RAT=   8   8   -0.1397807095E-01     2.013937392        0.9860219290    
FOB,PFOB,DIAG,PSTEP=   -0.2069742449E-05   -0.2041209694E-05     671.9717036        0.3037704120E-08
J1,K1,R1,R2,RAT=   9   9   -0.4196406193E-02     2.004145363        0.9958035938    
FOB,PFOB,DIAG,PSTEP=    0.7680633887E-06    0.7648536701E-06     625.0280983       -0.1223742089E-08
J1,K1,R1,R2,RAT=  10  10    0.4504370465E-02     1.995474474        0.9954744736    
FOB,PFOB,DIAG,PSTEP=    0.1574256253E-05    0.1581379448E-05     604.3399674       -0.2616732735E-08
J1,K1,R1,R2,RAT=  11  11    0.4805823147E-03     1.999538743        0.9995194177    
FOB,PFOB,DIAG,PSTEP=   -0.1076901836E-05   -0.1077419620E-05     589.4291090        0.1827885988E-08
J1,K1,R1,R2,RAT= 109 109   -0.1068652274E-02     2.001132830        0.9989313477    
FOB,PFOB,DIAG,PSTEP=   -0.7502839581E-04   -0.7494830470E-04     13.78181868        0.5438026831E-05
J1,K1,R1,R2,RAT= 110 110   -0.3581083689E-01     2.212292266        0.9641891631    
FOB,PFOB,DIAG,PSTEP=   -0.1390650766E-03   -0.1346346421E-03     12.37177035        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3429175558         26.67635522        0.6570824442    
FOB,PFOB,DIAG,PSTEP=    0.1423762686E-02    0.1387623059E-02     10.53886755       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7966044347E-01     2.079363445        0.9203395565    
FOB,PFOB,DIAG,PSTEP=    0.7135070204E-05    0.6608551846E-05     9.567336202       -0.6908436391E-06
J1,K1,R1,R2,RAT= 113 113   -0.7464816908         201.4726046        0.2535183092    
FOB,PFOB,DIAG,PSTEP=    0.9883076853E-02    0.9810111081E-02     7.595051545       -0.1286972595E-04
J1,K1,R1,R2,RAT= 114 114    0.9976192992        -417.2486918        0.2380700813E-02
FOB,PFOB,DIAG,PSTEP=    0.3966373419        0.3947451886         4.741671730        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001     -0.00001      0.00001 
     0.00001      0.00003     -0.00002     -0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00001      0.00000     -0.00003 
    -0.00001     -0.00003     -0.00003     -0.00003     -0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001      0.00002 
    -0.00003     -0.00003      0.00001      0.00000     -0.00004     -0.00002 
     0.00000     -0.00004      0.00004      0.00003      0.00003      0.00001 
    -0.00003     -0.00002      0.00007     -0.00002     -0.00012      0.00007 
    -0.00003     -0.00004     -0.00003      0.00000     -0.00012      0.00006 
    -0.00008     -0.00014      0.00142      0.00001      0.00988      0.39664 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385512241
 Log product of positive Hessian eigenvalues =          520.2618616419
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7416717297
 Unscaled step for mode    7=        0.0000000012
 Unscaled step for mode    8=        0.0000000031
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=        0.0000000010
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000059
 Unscaled step for mode   17=       -0.0000000054
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000239
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000162
 Unscaled step for mode   22=       -0.0000000045
 Unscaled step for mode   23=        0.0000000037
 Unscaled step for mode   24=       -0.0000000041
 Unscaled step for mode   25=        0.0000000352
 Unscaled step for mode   26=        0.0000000589
 Unscaled step for mode   27=        0.0000000307
 Unscaled step for mode   28=        0.0000000030
 Unscaled step for mode   29=        0.0000000042
 Unscaled step for mode   30=        0.0000000544
 Unscaled step for mode   31=        0.0000000162
 Unscaled step for mode   32=        0.0000000066
 Unscaled step for mode   33=       -0.0000000236
 Unscaled step for mode   34=       -0.0000000136
 Unscaled step for mode   35=       -0.0000000689
 Unscaled step for mode   36=       -0.0000000222
 Unscaled step for mode   37=        0.0000000361
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000551
 Unscaled step for mode   40=       -0.0000000394
 Unscaled step for mode   41=       -0.0000000567
 Unscaled step for mode   42=        0.0000000209
 Unscaled step for mode   43=       -0.0000000204
 Unscaled step for mode   44=        0.0000000405
 Unscaled step for mode   45=       -0.0000000160
 Unscaled step for mode   46=       -0.0000000512
 Unscaled step for mode   47=        0.0000001036
 Unscaled step for mode   48=       -0.0000000034
 Unscaled step for mode   49=        0.0000000653
 Unscaled step for mode   50=        0.0000000394
 Unscaled step for mode   51=        0.0000000461
 Unscaled step for mode   52=        0.0000000007
 Unscaled step for mode   53=        0.0000000456
 Unscaled step for mode   54=        0.0000000374
 Unscaled step for mode   55=        0.0000000917
 Unscaled step for mode   56=       -0.0000000315
 Unscaled step for mode   57=       -0.0000000226
 Unscaled step for mode   58=        0.0000000885
 Unscaled step for mode   59=        0.0000000442
 Unscaled step for mode   60=       -0.0000000960
 Unscaled step for mode   61=       -0.0000000837
 Unscaled step for mode   62=       -0.0000001983
 Unscaled step for mode   63=        0.0000001372
 Unscaled step for mode   64=        0.0000000587
 Unscaled step for mode   65=       -0.0000000002
 Unscaled step for mode   66=        0.0000001631
 Unscaled step for mode   67=       -0.0000000161
 Unscaled step for mode   68=       -0.0000000519
 Unscaled step for mode   69=        0.0000000140
 Unscaled step for mode   70=       -0.0000001170
 Unscaled step for mode   71=       -0.0000000143
 Unscaled step for mode   72=        0.0000002732
 Unscaled step for mode   73=        0.0000001351
 Unscaled step for mode   74=        0.0000002706
 Unscaled step for mode   75=        0.0000002818
 Unscaled step for mode   76=        0.0000002651
 Unscaled step for mode   77=        0.0000005429
 Unscaled step for mode   78=        0.0000000293
 Unscaled step for mode   79=       -0.0000003377
 Unscaled step for mode   80=        0.0000001606
 Unscaled step for mode   81=        0.0000001708
 Unscaled step for mode   82=       -0.0000001752
 Unscaled step for mode   83=        0.0000001386
 Unscaled step for mode   84=       -0.0000002775
 Unscaled step for mode   85=        0.0000004424
 Unscaled step for mode   86=        0.0000005071
 Unscaled step for mode   87=       -0.0000001456
 Unscaled step for mode   88=       -0.0000000228
 Unscaled step for mode   89=        0.0000005952
 Unscaled step for mode   90=        0.0000002936
 Unscaled step for mode   91=       -0.0000000094
 Unscaled step for mode   92=        0.0000007917
 Unscaled step for mode   93=       -0.0000007188
 Unscaled step for mode   94=       -0.0000005168
 Unscaled step for mode   95=       -0.0000006803
 Unscaled step for mode   96=       -0.0000002254
 Unscaled step for mode   97=        0.0000006697
 Unscaled step for mode   98=        0.0000005413
 Unscaled step for mode   99=       -0.0000018249
 Unscaled step for mode  100=        0.0000005647
 Unscaled step for mode  101=        0.0000032836
 Unscaled step for mode  102=       -0.0000023132
 Unscaled step for mode  103=        0.0000009091
 Unscaled step for mode  104=        0.0000015015
 Unscaled step for mode  105=        0.0000015003
 Unscaled step for mode  106=       -0.0000000182
 Unscaled step for mode  107=        0.0000061915
 Unscaled step for mode  108=       -0.0000037392
 Unscaled step for mode  109=        0.0000054440
 Unscaled step for mode  110=        0.0000112405
 Unscaled step for mode  111=       -0.0001350964
 Unscaled step for mode  112=       -0.0000007458
 Unscaled step for mode  113=       -0.0013012499
 Unscaled step for mode  114=        0.0830720022
 Largest modulus ratio of non-zero e/values=           152.8380632    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.276255E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.460352E-15    0.100747E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.614793E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.631439E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.630449E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.695001E-15    0.973658E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.903634E-06    0.724708E+03  0.124689E-08 0.100000E-04    0.983653E+00
   8   -0.206974E-05    0.671972E+03  0.308010E-08 0.100000E-04    0.986022E+00
   9    0.768063E-06    0.625028E+03 -0.122885E-08 0.100000E-04    0.995804E+00
  10    0.157426E-05    0.604340E+03 -0.260492E-08 0.100000E-04    0.995474E+00
  11   -0.107690E-05    0.589429E+03  0.182703E-08 0.100000E-04    0.999519E+00
  12    0.319147E-05    0.565951E+03 -0.563913E-08 0.100000E-04    0.995934E+00
  13   -0.552125E-06    0.564816E+03  0.977530E-09 0.100000E-04    0.862568E+00
  14   -0.547046E-05    0.479676E+03  0.114045E-07 0.100000E-04    0.997063E+00
  15    0.184081E-05    0.468328E+03 -0.393060E-08 0.100000E-04    0.994767E+00
  16    0.274711E-05    0.462462E+03 -0.594019E-08 0.100000E-04    0.994323E+00
  17    0.240062E-05    0.441349E+03 -0.543928E-08 0.100000E-04    0.997551E+00
  18    0.424431E-05    0.430855E+03 -0.985091E-08 0.100000E-04    0.996824E+00
  19   -0.100735E-04    0.421025E+03  0.239261E-07 0.100000E-04    0.996078E+00
  20    0.893527E-05    0.406630E+03 -0.219740E-07 0.100000E-04    0.999331E+00
  21    0.643103E-05    0.398041E+03 -0.161567E-07 0.100000E-04    0.998067E+00
  22    0.176032E-05    0.388703E+03 -0.452871E-08 0.100000E-04    0.983640E+00
  23   -0.135521E-05    0.367160E+03  0.369108E-08 0.100000E-04    0.987962E+00
  24    0.148238E-05    0.363072E+03 -0.408289E-08 0.100000E-04    0.992397E+00
  25   -0.123776E-04    0.351918E+03  0.351720E-07 0.100000E-04    0.995384E+00
  26   -0.200292E-04    0.340214E+03  0.588722E-07 0.100000E-04    0.995035E+00
  27   -0.997475E-05    0.324647E+03  0.307249E-07 0.100000E-04    0.994580E+00
  28   -0.974428E-06    0.321765E+03  0.302839E-08 0.100000E-04    0.922735E+00
  29   -0.134083E-05    0.318663E+03  0.420766E-08 0.100000E-04    0.948896E+00
  30   -0.172086E-04    0.316516E+03  0.543688E-07 0.100000E-04    0.993732E+00
  31   -0.493553E-05    0.305076E+03  0.161781E-07 0.100000E-04    0.987874E+00
  32   -0.189055E-05    0.287617E+03  0.657315E-08 0.100000E-04    0.989010E+00
  33    0.661105E-05    0.279553E+03 -0.236487E-07 0.100000E-04    0.996427E+00
  34    0.369417E-05    0.271018E+03 -0.136307E-07 0.100000E-04    0.994929E+00
  35    0.183317E-04    0.265887E+03 -0.689454E-07 0.100000E-04    0.995499E+00
  36    0.584598E-05    0.262908E+03 -0.222358E-07 0.100000E-04    0.989384E+00
  37   -0.932821E-05    0.258123E+03  0.361385E-07 0.100000E-04    0.993908E+00
  38   -0.372084E-05    0.253563E+03  0.146742E-07 0.100000E-04    0.997252E+00
  39   -0.133834E-04    0.243066E+03  0.550608E-07 0.100000E-04    0.996754E+00
  40    0.939364E-05    0.238374E+03 -0.394072E-07 0.100000E-04    0.994031E+00
  41    0.133492E-04    0.235230E+03 -0.567495E-07 0.100000E-04    0.988887E+00
  42   -0.477451E-05    0.228683E+03  0.208783E-07 0.100000E-04    0.991460E+00
  43    0.454032E-05    0.223046E+03 -0.203560E-07 0.100000E-04    0.987537E+00
  44   -0.861892E-05    0.212794E+03  0.405037E-07 0.100000E-04    0.985163E+00
  45    0.338227E-05    0.211583E+03 -0.159855E-07 0.100000E-04    0.989721E+00
  46    0.106832E-04    0.208797E+03 -0.511658E-07 0.100000E-04    0.991663E+00
  47   -0.210429E-04    0.203158E+03  0.103579E-06 0.100000E-04    0.994516E+00
  48    0.675252E-06    0.198195E+03 -0.340701E-08 0.100000E-04    0.959515E+00
  49   -0.127618E-04    0.195515E+03  0.652725E-07 0.100000E-04    0.992438E+00
  50   -0.755488E-05    0.191610E+03  0.394284E-07 0.100000E-04    0.999075E+00
  51   -0.855391E-05    0.185722E+03  0.460577E-07 0.100000E-04    0.992320E+00
  52   -0.119646E-06    0.176913E+03  0.676297E-09 0.100000E-04    0.839488E+00
  53   -0.780341E-05    0.171008E+03  0.456318E-07 0.100000E-04    0.995577E+00
  54   -0.628267E-05    0.167880E+03  0.374235E-07 0.100000E-04    0.988628E+00
  55   -0.151862E-04    0.165625E+03  0.916903E-07 0.100000E-04    0.995945E+00
  56    0.503964E-05    0.160199E+03 -0.314587E-07 0.100000E-04    0.999696E+00
  57    0.347285E-05    0.153494E+03 -0.226253E-07 0.100000E-04    0.990331E+00
  58   -0.133682E-04    0.150968E+03  0.885495E-07 0.100000E-04    0.994432E+00
  59   -0.659124E-05    0.149068E+03  0.442164E-07 0.100000E-04    0.998931E+00
  60    0.137186E-04    0.142885E+03 -0.960117E-07 0.100000E-04    0.993781E+00
  61    0.114602E-04    0.136946E+03 -0.836843E-07 0.100000E-04    0.995045E+00
  62    0.268057E-04    0.135150E+03 -0.198340E-06 0.100000E-04    0.997631E+00
  63   -0.179658E-04    0.130906E+03  0.137242E-06 0.100000E-04    0.998165E+00
  64   -0.749862E-05    0.127664E+03  0.587371E-07 0.100000E-04    0.987536E+00
  65    0.247409E-07    0.125994E+03 -0.196366E-09 0.100000E-04    0.299333E+01
  66   -0.204082E-04    0.125142E+03  0.163080E-06 0.100000E-04    0.997017E+00
  67    0.192660E-05    0.119492E+03 -0.161232E-07 0.100000E-04    0.981389E+00
  68    0.612282E-05    0.117957E+03 -0.519073E-07 0.100000E-04    0.995886E+00
  69   -0.163616E-05    0.116694E+03  0.140209E-07 0.100000E-04    0.989861E+00
  70    0.131001E-04    0.111994E+03 -0.116972E-06 0.100000E-04    0.991055E+00
  71    0.156272E-05    0.109353E+03 -0.142905E-07 0.100000E-04    0.984350E+00
  72   -0.287454E-04    0.105236E+03  0.273153E-06 0.100000E-04    0.995292E+00
  73   -0.139002E-04    0.102899E+03  0.135086E-06 0.100000E-04    0.991988E+00
  74   -0.271016E-04    0.100142E+03  0.270631E-06 0.100000E-04    0.998654E+00
  75   -0.273216E-04    0.969585E+02  0.281786E-06 0.100000E-04    0.991098E+00
  76   -0.252139E-04    0.951124E+02  0.265096E-06 0.100000E-04    0.995764E+00
  77   -0.495438E-04    0.912573E+02  0.542902E-06 0.100000E-04    0.994668E+00
  78   -0.266201E-05    0.907834E+02  0.293227E-07 0.100000E-04    0.976722E+00
  79    0.301066E-04    0.891545E+02 -0.337690E-06 0.100000E-04    0.995605E+00
  80   -0.135855E-04    0.846130E+02  0.160560E-06 0.100000E-04    0.993457E+00
  81   -0.138180E-04    0.808967E+02  0.170810E-06 0.100000E-04    0.996210E+00
  82    0.139143E-04    0.794006E+02 -0.175242E-06 0.100000E-04    0.994127E+00
  83   -0.108822E-04    0.785226E+02  0.138587E-06 0.100000E-04    0.992603E+00
  84    0.202063E-04    0.728034E+02 -0.277546E-06 0.100000E-04    0.995605E+00
  85   -0.316827E-04    0.716195E+02  0.442376E-06 0.100000E-04    0.997459E+00
  86   -0.347890E-04    0.686027E+02  0.507108E-06 0.100000E-04    0.998884E+00
  87    0.988118E-05    0.678653E+02 -0.145600E-06 0.100000E-04    0.957965E+00
  88    0.144869E-05    0.634013E+02 -0.228496E-07 0.100000E-04    0.975492E+00
  89   -0.366317E-04    0.615474E+02  0.595178E-06 0.100000E-04    0.996172E+00
  90   -0.175152E-04    0.596523E+02  0.293621E-06 0.100000E-04    0.999216E+00
  91    0.550092E-06    0.588306E+02 -0.935044E-08 0.100000E-04    0.987934E+00
  92   -0.442428E-04    0.558830E+02  0.791705E-06 0.100000E-04    0.994717E+00
  93    0.383598E-04    0.533684E+02 -0.718772E-06 0.100000E-04    0.999171E+00
  94    0.269938E-04    0.522300E+02 -0.516826E-06 0.100000E-04    0.996138E+00
  95    0.341964E-04    0.502662E+02 -0.680306E-06 0.100000E-04    0.998406E+00
  96    0.108020E-04    0.479318E+02 -0.225362E-06 0.100000E-04    0.995369E+00
  97   -0.289723E-04    0.432637E+02  0.669667E-06 0.100000E-04    0.998203E+00
  98   -0.216777E-04    0.400482E+02  0.541289E-06 0.100000E-04    0.995085E+00
  99    0.675652E-04    0.370243E+02 -0.182489E-05 0.100000E-04    0.993689E+00
 100   -0.203487E-04    0.360365E+02  0.564671E-06 0.100000E-04    0.984022E+00
 101   -0.116251E-03    0.354032E+02  0.328364E-05 0.100000E-04    0.998993E+00
 102    0.669416E-04    0.289388E+02 -0.231321E-05 0.100000E-04    0.998645E+00
 103   -0.261541E-04    0.287691E+02  0.909106E-06 0.100000E-04    0.971139E+00
 104   -0.430352E-04    0.286607E+02  0.150154E-05 0.100000E-04    0.991892E+00
 105   -0.345821E-04    0.230495E+02  0.150034E-05 0.100000E-04    0.994985E+00
 106    0.399751E-06    0.219305E+02 -0.182281E-07 0.100000E-04    0.594512E+00
 107   -0.122310E-03    0.197544E+02  0.619153E-05 0.100000E-04    0.998878E+00
 108    0.627865E-04    0.167916E+02 -0.373916E-05 0.100000E-04    0.995222E+00
 109   -0.750284E-04    0.137818E+02  0.544401E-05 0.100000E-04    0.998931E+00
 110   -0.139065E-03    0.123718E+02  0.100000E-04 0.100000E-04    0.964189E+00
 111    0.142376E-02    0.105389E+02 -0.100000E-04 0.100000E-04    0.657082E+00
 112    0.713507E-05    0.956734E+01 -0.745774E-06 0.100000E-04    0.920340E+00
 113    0.988308E-02    0.759505E+01 -0.115943E-04 0.115943E-04    0.253518E+00
 114    0.396637E+00    0.474167E+01  0.400000E-03 0.400000E-03    0.238070E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8307200222E-01

 Beginning of optimization cycle  188.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3864493815
 potential> RMS force:                                               0.0373375590   |gradient|=.3986560389    
 Eigenvalues of the Hessian matrix:
   724.76827    671.98544    625.04404    604.34612    589.42347    565.97723 
   564.84769    479.69562    468.30524    462.45218    441.34806    430.84560 
   421.03268    406.64025    398.03654    388.70584    367.16296    363.06228 
   351.90978    340.17852    324.65404    321.75927    318.67699    316.49191 
   305.07096    287.62127    279.54762    271.01287    265.89037    262.91831 
   258.13072    253.56573    243.05793    238.36075    235.24081    228.68412 
   223.02656    212.79771    211.58790    208.78376    203.16097    198.19073 
   195.51585    191.60996    185.71238    176.89935    171.01337    167.87664 
   165.62350    160.19240    153.49438    150.96751    149.07126    142.88817 
   136.94622    135.15551    130.90476    127.66463    125.99611    125.14774 
   119.49376    117.95745    116.69739    111.98645    109.34269    105.23202 
   102.90001    100.13852     96.95318     95.11297     91.26662     90.77779 
    89.16475     84.61506     80.89700     79.40397     78.52059     72.80152 
    71.62302     68.59443     67.86499     63.40074     61.53795     59.65237 
    58.83320     55.88416     53.36442     52.22977     50.26518     47.93042 
    43.25965     40.05068     37.02299     36.03049     35.41035     28.93675 
    28.76731     28.65454     23.04625     21.92977     19.75790     16.79251 
    13.78139     12.37015     10.52658      9.56874      7.59430      4.73964 
overlap for current and previous eigenvector    109 is         0.9999987781
overlap for current and previous eigenvector    110 is         0.9999984738
overlap for current and previous eigenvector    111 is         0.9999929406
overlap for current and previous eigenvector    112 is         0.9999955626
overlap for current and previous eigenvector    113 is         0.9999985047
overlap for current and previous eigenvector    114 is         0.9999995631
J1,K1,R1,R2,RAT=   7   7   -0.1962155405E-01     2.019455017        0.9803784459    
FOB,PFOB,DIAG,PSTEP=   -0.9213664713E-06   -0.9036342857E-06     724.7682738        0.1246894448E-08
J1,K1,R1,R2,RAT=   8   8   -0.1555576841E-02     2.001514680        0.9984444232    
FOB,PFOB,DIAG,PSTEP=   -0.2072962158E-05   -0.2069742449E-05     671.9854445        0.3080103578E-08
J1,K1,R1,R2,RAT=   9   9    0.8720211038E-02     1.991228786        0.9912287857    
FOB,PFOB,DIAG,PSTEP=    0.7613655430E-06    0.7680633887E-06     625.0440379       -0.1228846176E-08
J1,K1,R1,R2,RAT=  10  10   -0.8047009244E-02     2.008026650        0.9919529908    
FOB,PFOB,DIAG,PSTEP=    0.1586924437E-05    0.1574256253E-05     604.3461194       -0.2604918321E-08
J1,K1,R1,R2,RAT=  11  11   -0.3808909229E-02     2.003828045        0.9961910908    
FOB,PFOB,DIAG,PSTEP=   -0.1081003618E-05   -0.1076901836E-05     589.4234694        0.1827025201E-08
J1,K1,R1,R2,RAT= 109 109   -0.2239321338E-03     2.000286400        0.9997760679    
FOB,PFOB,DIAG,PSTEP=   -0.7504519655E-04   -0.7502839581E-04     13.78138823        0.5444012692E-05
J1,K1,R1,R2,RAT= 110 110   -0.4613701974E-01     2.294534206        0.9538629803    
FOB,PFOB,DIAG,PSTEP=   -0.1447722961E-03   -0.1390650766E-03     12.37015217        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3403333624         27.39113612        0.6596666376    
FOB,PFOB,DIAG,PSTEP=    0.1459588162E-02    0.1423762686E-02     10.52658362       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.2746983935E-01     1.972237755        0.9722377546    
FOB,PFOB,DIAG,PSTEP=    0.6939042312E-05    0.7135070204E-05     9.568735180       -0.7457739598E-06
J1,K1,R1,R2,RAT= 113 113   -0.9359253162         225.4213072        0.6407468381E-01
FOB,PFOB,DIAG,PSTEP=    0.9965485977E-02    0.9883076853E-02     7.594300581       -0.1159434770E-04
J1,K1,R1,R2,RAT= 114 114    0.9976104349        -419.4231601        0.2389565056E-02
FOB,PFOB,DIAG,PSTEP=    0.3985286679        0.3966373419         4.739640567        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00000     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001     -0.00001      0.00001 
     0.00001     -0.00003      0.00002      0.00001     -0.00000      0.00002 
     0.00000      0.00001     -0.00000      0.00001      0.00000     -0.00003 
    -0.00001     -0.00003     -0.00003     -0.00003     -0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001      0.00002 
    -0.00003     -0.00003      0.00001      0.00000     -0.00004     -0.00002 
     0.00000     -0.00004     -0.00004     -0.00003      0.00003      0.00001 
     0.00003     -0.00002      0.00007     -0.00002      0.00012      0.00007 
     0.00003     -0.00004     -0.00003      0.00000     -0.00012      0.00006 
    -0.00008     -0.00014      0.00146      0.00001      0.00997      0.39853 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385295816
 Log product of positive Hessian eigenvalues =          520.2593960848
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7396405669
 Unscaled step for mode    7=        0.0000000013
 Unscaled step for mode    8=        0.0000000031
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=        0.0000000010
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000060
 Unscaled step for mode   17=       -0.0000000055
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000240
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000162
 Unscaled step for mode   22=       -0.0000000046
 Unscaled step for mode   23=        0.0000000037
 Unscaled step for mode   24=       -0.0000000040
 Unscaled step for mode   25=        0.0000000353
 Unscaled step for mode   26=        0.0000000592
 Unscaled step for mode   27=        0.0000000309
 Unscaled step for mode   28=        0.0000000028
 Unscaled step for mode   29=        0.0000000039
 Unscaled step for mode   30=        0.0000000546
 Unscaled step for mode   31=        0.0000000163
 Unscaled step for mode   32=        0.0000000067
 Unscaled step for mode   33=       -0.0000000238
 Unscaled step for mode   34=       -0.0000000138
 Unscaled step for mode   35=       -0.0000000691
 Unscaled step for mode   36=       -0.0000000225
 Unscaled step for mode   37=        0.0000000364
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000553
 Unscaled step for mode   40=       -0.0000000396
 Unscaled step for mode   41=       -0.0000000573
 Unscaled step for mode   42=        0.0000000210
 Unscaled step for mode   43=       -0.0000000205
 Unscaled step for mode   44=        0.0000000408
 Unscaled step for mode   45=       -0.0000000160
 Unscaled step for mode   46=       -0.0000000514
 Unscaled step for mode   47=        0.0000001039
 Unscaled step for mode   48=       -0.0000000035
 Unscaled step for mode   49=        0.0000000656
 Unscaled step for mode   50=        0.0000000398
 Unscaled step for mode   51=        0.0000000462
 Unscaled step for mode   52=        0.0000000007
 Unscaled step for mode   53=        0.0000000458
 Unscaled step for mode   54=        0.0000000377
 Unscaled step for mode   55=        0.0000000920
 Unscaled step for mode   56=       -0.0000000316
 Unscaled step for mode   57=       -0.0000000228
 Unscaled step for mode   58=        0.0000000891
 Unscaled step for mode   59=        0.0000000440
 Unscaled step for mode   60=       -0.0000000963
 Unscaled step for mode   61=       -0.0000000844
 Unscaled step for mode   62=        0.0000001990
 Unscaled step for mode   63=       -0.0000001380
 Unscaled step for mode   64=       -0.0000000594
 Unscaled step for mode   65=        0.0000000001
 Unscaled step for mode   66=       -0.0000001639
 Unscaled step for mode   67=       -0.0000000161
 Unscaled step for mode   68=       -0.0000000522
 Unscaled step for mode   69=        0.0000000144
 Unscaled step for mode   70=       -0.0000001175
 Unscaled step for mode   71=       -0.0000000145
 Unscaled step for mode   72=        0.0000002752
 Unscaled step for mode   73=        0.0000001361
 Unscaled step for mode   74=        0.0000002716
 Unscaled step for mode   75=        0.0000002840
 Unscaled step for mode   76=        0.0000002660
 Unscaled step for mode   77=        0.0000005450
 Unscaled step for mode   78=        0.0000000290
 Unscaled step for mode   79=       -0.0000003370
 Unscaled step for mode   80=        0.0000001614
 Unscaled step for mode   81=        0.0000001716
 Unscaled step for mode   82=       -0.0000001749
 Unscaled step for mode   83=        0.0000001387
 Unscaled step for mode   84=       -0.0000002799
 Unscaled step for mode   85=        0.0000004450
 Unscaled step for mode   86=        0.0000005070
 Unscaled step for mode   87=       -0.0000001511
 Unscaled step for mode   88=       -0.0000000233
 Unscaled step for mode   89=        0.0000005983
 Unscaled step for mode   90=        0.0000002961
 Unscaled step for mode   91=       -0.0000000097
 Unscaled step for mode   92=        0.0000007948
 Unscaled step for mode   93=        0.0000007205
 Unscaled step for mode   94=        0.0000005207
 Unscaled step for mode   95=       -0.0000006811
 Unscaled step for mode   96=       -0.0000002249
 Unscaled step for mode   97=       -0.0000006742
 Unscaled step for mode   98=        0.0000005444
 Unscaled step for mode   99=       -0.0000018450
 Unscaled step for mode  100=        0.0000005539
 Unscaled step for mode  101=       -0.0000032887
 Unscaled step for mode  102=       -0.0000023247
 Unscaled step for mode  103=       -0.0000009343
 Unscaled step for mode  104=        0.0000015020
 Unscaled step for mode  105=        0.0000015095
 Unscaled step for mode  106=       -0.0000000346
 Unscaled step for mode  107=        0.0000062075
 Unscaled step for mode  108=       -0.0000037026
 Unscaled step for mode  109=        0.0000054454
 Unscaled step for mode  110=        0.0000117034
 Unscaled step for mode  111=       -0.0001386573
 Unscaled step for mode  112=       -0.0000007252
 Unscaled step for mode  113=       -0.0013122300
 Unscaled step for mode  114=        0.0834979275
 Largest modulus ratio of non-zero e/values=           152.9162947    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.345210E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.298372E-15    0.100747E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.119675E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.112757E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.844485E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.449402E-16    0.973659E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.921366E-06    0.724768E+03  0.127126E-08 0.100000E-04    0.980378E+00
   8   -0.207296E-05    0.671985E+03  0.308483E-08 0.100000E-04    0.998444E+00
   9    0.761366E-06    0.625044E+03 -0.121810E-08 0.100000E-04    0.991229E+00
  10    0.158692E-05    0.604346E+03 -0.262585E-08 0.100000E-04    0.991953E+00
  11   -0.108100E-05    0.589423E+03  0.183400E-08 0.100000E-04    0.996191E+00
  12    0.317830E-05    0.565977E+03 -0.561559E-08 0.100000E-04    0.995780E+00
  13   -0.590082E-06    0.564848E+03  0.104467E-08 0.100000E-04    0.931256E+00
  14   -0.546646E-05    0.479696E+03  0.113957E-07 0.100000E-04    0.999185E+00
  15    0.183120E-05    0.468305E+03 -0.391028E-08 0.100000E-04    0.994782E+00
  16    0.277479E-05    0.462452E+03 -0.600016E-08 0.100000E-04    0.989924E+00
  17    0.242962E-05    0.441348E+03 -0.550500E-08 0.100000E-04    0.987920E+00
  18    0.425136E-05    0.430846E+03 -0.986747E-08 0.100000E-04    0.998340E+00
  19   -0.101249E-04    0.421033E+03  0.240479E-07 0.100000E-04    0.994895E+00
  20    0.895158E-05    0.406640E+03 -0.220135E-07 0.100000E-04    0.998175E+00
  21    0.645548E-05    0.398037E+03 -0.162183E-07 0.100000E-04    0.996198E+00
  22    0.179501E-05    0.388706E+03 -0.461791E-08 0.100000E-04    0.980296E+00
  23   -0.135158E-05    0.367163E+03  0.368115E-08 0.100000E-04    0.997302E+00
  24    0.146989E-05    0.363062E+03 -0.404858E-08 0.100000E-04    0.991571E+00
  25   -0.124328E-04    0.351910E+03  0.353295E-07 0.100000E-04    0.995543E+00
  26   -0.201365E-04    0.340179E+03  0.591940E-07 0.100000E-04    0.994640E+00
  27   -0.100181E-04    0.324654E+03  0.308576E-07 0.100000E-04    0.995659E+00
  28   -0.885840E-06    0.321759E+03  0.275311E-08 0.100000E-04    0.909085E+00
  29   -0.124537E-05    0.318677E+03  0.390793E-08 0.100000E-04    0.928724E+00
  30   -0.172864E-04    0.316492E+03  0.546187E-07 0.100000E-04    0.995480E+00
  31   -0.496844E-05    0.305071E+03  0.162862E-07 0.100000E-04    0.993332E+00
  32   -0.191919E-05    0.287621E+03  0.667261E-08 0.100000E-04    0.984851E+00
  33    0.665539E-05    0.279548E+03 -0.238077E-07 0.100000E-04    0.993294E+00
  34    0.373526E-05    0.271013E+03 -0.137826E-07 0.100000E-04    0.988878E+00
  35    0.183833E-04    0.265890E+03 -0.691386E-07 0.100000E-04    0.997185E+00
  36    0.591020E-05    0.262918E+03 -0.224792E-07 0.100000E-04    0.989014E+00
  37   -0.938385E-05    0.258131E+03  0.363531E-07 0.100000E-04    0.994035E+00
  38   -0.371679E-05    0.253566E+03  0.146581E-07 0.100000E-04    0.998892E+00
  39   -0.134403E-04    0.243058E+03  0.552968E-07 0.100000E-04    0.995749E+00
  40    0.942884E-05    0.238361E+03 -0.395570E-07 0.100000E-04    0.996253E+00
  41    0.134910E-04    0.235241E+03 -0.573496E-07 0.100000E-04    0.989379E+00
  42   -0.480278E-05    0.228684E+03  0.210018E-07 0.100000E-04    0.994079E+00
  43    0.457316E-05    0.223027E+03 -0.205050E-07 0.100000E-04    0.992767E+00
  44   -0.867737E-05    0.212798E+03  0.407775E-07 0.100000E-04    0.993219E+00
  45    0.338868E-05    0.211588E+03 -0.160155E-07 0.100000E-04    0.998105E+00
  46    0.107410E-04    0.208784E+03 -0.514457E-07 0.100000E-04    0.994591E+00
  47   -0.211180E-04    0.203161E+03  0.103947E-06 0.100000E-04    0.996429E+00
  48    0.697659E-06    0.198191E+03 -0.352014E-08 0.100000E-04    0.966816E+00
  49   -0.128220E-04    0.195516E+03  0.655802E-07 0.100000E-04    0.995284E+00
  50   -0.761836E-05    0.191610E+03  0.397597E-07 0.100000E-04    0.991598E+00
  51   -0.858677E-05    0.185712E+03  0.462370E-07 0.100000E-04    0.996158E+00
  52   -0.124681E-06    0.176899E+03  0.704813E-09 0.100000E-04    0.957913E+00
  53   -0.783153E-05    0.171013E+03  0.457949E-07 0.100000E-04    0.996396E+00
  54   -0.632666E-05    0.167877E+03  0.376864E-07 0.100000E-04    0.992997E+00
  55   -0.152332E-04    0.165624E+03  0.919750E-07 0.100000E-04    0.996905E+00
  56    0.506504E-05    0.160192E+03 -0.316185E-07 0.100000E-04    0.994959E+00
  57    0.350322E-05    0.153494E+03 -0.228231E-07 0.100000E-04    0.991254E+00
  58   -0.134557E-04    0.150968E+03  0.891295E-07 0.100000E-04    0.993455E+00
  59   -0.656026E-05    0.149071E+03  0.440075E-07 0.100000E-04    0.995254E+00
  60    0.137582E-04    0.142888E+03 -0.962864E-07 0.100000E-04    0.997117E+00
  61    0.115599E-04    0.136946E+03 -0.844119E-07 0.100000E-04    0.991303E+00
  62   -0.269015E-04    0.135156E+03  0.199041E-06 0.100000E-04    0.996428E+00
  63    0.180635E-04    0.130905E+03 -0.137989E-06 0.100000E-04    0.994565E+00
  64    0.757904E-05    0.127665E+03 -0.593668E-07 0.100000E-04    0.989276E+00
  65   -0.152080E-07    0.125996E+03  0.120702E-09 0.100000E-04    0.614662E+00
  66    0.205128E-04    0.125148E+03 -0.163909E-06 0.100000E-04    0.994875E+00
  67    0.192098E-05    0.119494E+03 -0.160760E-07 0.100000E-04    0.997059E+00
  68    0.615953E-05    0.117957E+03 -0.522182E-07 0.100000E-04    0.994005E+00
  69   -0.167587E-05    0.116697E+03  0.143608E-07 0.100000E-04    0.975729E+00
  70    0.131589E-04    0.111986E+03 -0.117505E-06 0.100000E-04    0.995508E+00
  71    0.158987E-05    0.109343E+03 -0.145402E-07 0.100000E-04    0.982625E+00
  72   -0.289572E-04    0.105232E+03  0.275174E-06 0.100000E-04    0.992633E+00
  73   -0.140004E-04    0.102900E+03  0.136058E-06 0.100000E-04    0.992793E+00
  74   -0.272009E-04    0.100139E+03  0.271633E-06 0.100000E-04    0.996334E+00
  75   -0.275308E-04    0.969532E+02  0.283959E-06 0.100000E-04    0.992343E+00
  76   -0.253019E-04    0.951130E+02  0.266020E-06 0.100000E-04    0.996510E+00
  77   -0.497419E-04    0.912666E+02  0.545018E-06 0.100000E-04    0.996001E+00
  78   -0.263169E-05    0.907778E+02  0.289905E-07 0.100000E-04    0.988608E+00
  79    0.300521E-04    0.891648E+02 -0.337040E-06 0.100000E-04    0.997960E+00
  80   -0.136539E-04    0.846151E+02  0.161365E-06 0.100000E-04    0.994963E+00
  81   -0.138855E-04    0.808970E+02  0.171645E-06 0.100000E-04    0.995110E+00
  82    0.138875E-04    0.794040E+02 -0.174897E-06 0.100000E-04    0.997986E+00
  83   -0.108902E-04    0.785206E+02  0.138692E-06 0.100000E-04    0.999266E+00
  84    0.203745E-04    0.728015E+02 -0.279863E-06 0.100000E-04    0.991677E+00
  85   -0.318746E-04    0.716230E+02  0.445033E-06 0.100000E-04    0.993945E+00
  86   -0.347764E-04    0.685944E+02  0.506985E-06 0.100000E-04    0.999638E+00
  87    0.102542E-04    0.678650E+02 -0.151097E-06 0.100000E-04    0.962248E+00
  88    0.147645E-05    0.634007E+02 -0.232876E-07 0.100000E-04    0.980839E+00
  89   -0.368199E-04    0.615379E+02  0.598328E-06 0.100000E-04    0.994862E+00
  90   -0.176628E-04    0.596524E+02  0.296096E-06 0.100000E-04    0.991569E+00
  91    0.567933E-06    0.588332E+02 -0.965328E-08 0.100000E-04    0.967568E+00
  92   -0.444166E-04    0.558842E+02  0.794797E-06 0.100000E-04    0.996072E+00
  93   -0.384475E-04    0.533644E+02  0.720471E-06 0.100000E-04    0.997712E+00
  94   -0.271961E-04    0.522298E+02  0.520700E-06 0.100000E-04    0.992509E+00
  95    0.342341E-04    0.502652E+02 -0.681069E-06 0.100000E-04    0.998898E+00
  96    0.107783E-04    0.479304E+02 -0.224873E-06 0.100000E-04    0.997802E+00
  97    0.291641E-04    0.432596E+02 -0.674164E-06 0.100000E-04    0.993379E+00
  98   -0.218046E-04    0.400507E+02  0.544425E-06 0.100000E-04    0.994145E+00
  99    0.683077E-04    0.370230E+02 -0.184501E-05 0.100000E-04    0.989010E+00
 100   -0.199567E-04    0.360305E+02  0.553884E-06 0.100000E-04    0.980731E+00
 101    0.116453E-03    0.354104E+02 -0.328866E-05 0.100000E-04    0.998269E+00
 102    0.672681E-04    0.289367E+02 -0.232466E-05 0.100000E-04    0.995122E+00
 103    0.268763E-04    0.287673E+02 -0.934265E-06 0.100000E-04    0.972386E+00
 104   -0.430397E-04    0.286545E+02  0.150202E-05 0.100000E-04    0.999893E+00
 105   -0.347892E-04    0.230463E+02  0.150954E-05 0.100000E-04    0.994011E+00
 106    0.759111E-06    0.219298E+02 -0.346156E-07 0.109000E-04    0.101013E+00
 107   -0.122647E-03    0.197579E+02  0.620749E-05 0.100000E-04    0.997244E+00
 108    0.621758E-04    0.167925E+02 -0.370259E-05 0.100000E-04    0.990164E+00
 109   -0.750452E-04    0.137814E+02  0.544540E-05 0.100000E-04    0.999776E+00
 110   -0.144772E-03    0.123702E+02  0.100000E-04 0.100000E-04    0.953863E+00
 111    0.145959E-02    0.105266E+02 -0.100000E-04 0.100000E-04    0.659667E+00
 112    0.693904E-05    0.956874E+01 -0.725179E-06 0.100000E-04    0.972238E+00
 113    0.996549E-02    0.759430E+01 -0.126378E-04 0.126378E-04    0.640747E-01
 114    0.398529E+00    0.473964E+01  0.400000E-03 0.400000E-03    0.238957E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8349792747E-01

 Beginning of optimization cycle  189.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3862897324
 potential> RMS force:                                               0.0375147495   |gradient|=.4005479164    
 Eigenvalues of the Hessian matrix:
   724.82860    671.99906    625.05989    604.35227    589.41769    566.00377 
   564.87863    479.71564    468.28234    462.44262    441.34709    430.83641 
   421.03993    406.65095    398.03247    388.70861    367.16646    363.05241 
   351.90182    340.14270    324.66066    321.75399    318.69059    316.46734 
   305.06632    287.62606    279.54248    271.00803    265.89403    262.92837 
   258.13810    253.56827    243.04970    238.34784    235.25173    228.68528 
   223.00710    212.80193    211.59271    208.77089    203.16428    198.18680 
   195.51626    191.60984    185.70293    176.88535    171.01844    167.87287 
   165.62166    160.18617    153.49466    150.96682    149.07446    142.89132 
   136.94663    135.16095    130.90324    127.66514    125.99830    125.15334 
   119.49506    117.95793    116.70035    111.97911    109.33187    105.22839 
   102.90141    100.13477     96.94779     95.11351     91.27602     90.77221 
    89.17493     84.61716     80.89728     79.40739     78.51855     72.79968 
    71.62656     68.58625     67.86448     63.40022     61.52843     59.65242 
    58.83575     55.88535     53.36037     52.22952     50.26418     47.92899 
    43.25560     40.05311     37.02177     36.02434     35.41745     28.93473 
    28.76572     28.64817     23.04307     21.92905     19.76142     16.79341 
    13.78097     12.36856     10.51430      9.57012      7.59351      4.73758 
overlap for current and previous eigenvector    109 is         0.9999987906
overlap for current and previous eigenvector    110 is         0.9999985026
overlap for current and previous eigenvector    111 is         0.9999927332
overlap for current and previous eigenvector    112 is         0.9999953131
overlap for current and previous eigenvector    113 is         0.9999984848
overlap for current and previous eigenvector    114 is         0.9999995652
J1,K1,R1,R2,RAT=   7   7   -0.1603167791E-01     2.015865234        0.9839683221    
FOB,PFOB,DIAG,PSTEP=   -0.9361387511E-06   -0.9213664713E-06     724.8285954        0.1271256627E-08
J1,K1,R1,R2,RAT=   8   8   -0.1370820314E-01     2.013667689        0.9862917969    
FOB,PFOB,DIAG,PSTEP=   -0.2101379320E-05   -0.2072962158E-05     671.9990573        0.3084831933E-08
J1,K1,R1,R2,RAT=   9   9   -0.3848974831E-02     2.003798256        0.9961510252    
FOB,PFOB,DIAG,PSTEP=    0.7642960942E-06    0.7613655430E-06     625.0598892       -0.1218099041E-08
J1,K1,R1,R2,RAT=  10  10    0.4447164638E-02     1.995532494        0.9955324936    
FOB,PFOB,DIAG,PSTEP=    0.1579867051E-05    0.1586924437E-05     604.3522662       -0.2625853606E-08
J1,K1,R1,R2,RAT=  11  11    0.4541694000E-03     1.999565446        0.9995458306    
FOB,PFOB,DIAG,PSTEP=   -0.1080512664E-05   -0.1081003618E-05     589.4176885        0.1834001655E-08
J1,K1,R1,R2,RAT= 109 109   -0.1022731368E-02     2.001084128        0.9989772686    
FOB,PFOB,DIAG,PSTEP=   -0.7512194527E-04   -0.7504519655E-04     13.78096518        0.5445401819E-05
J1,K1,R1,R2,RAT= 110 110   -0.4925568499E-01     2.390229148        0.9507443150    
FOB,PFOB,DIAG,PSTEP=   -0.1508645127E-03   -0.1447722961E-03     12.36855508        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3509175024         28.11478066        0.6490824976    
FOB,PFOB,DIAG,PSTEP=    0.1496484686E-02    0.1459588162E-02     10.51430165       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8288081250E-01     2.082590926        0.9171191875    
FOB,PFOB,DIAG,PSTEP=    0.7514239148E-05    0.6939042312E-05     9.570122307       -0.7251786345E-06
J1,K1,R1,R2,RAT= 113 113   -0.7759255228         208.4646054        0.2240744772    
FOB,PFOB,DIAG,PSTEP=    0.1003994815E-01    0.9965485977E-02     7.593514632       -0.1263783899E-04
J1,K1,R1,R2,RAT= 114 114    0.9975980936        -421.6011886        0.2401906384E-02
FOB,PFOB,DIAG,PSTEP=    0.4004191483        0.3985286679         4.737580430        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001      0.00001     -0.00001 
    -0.00001      0.00003     -0.00002     -0.00001      0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00001      0.00000      0.00003 
     0.00001     -0.00003     -0.00003     -0.00003     -0.00005     -0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001     -0.00002 
     0.00003     -0.00003      0.00001      0.00000     -0.00004     -0.00002 
     0.00000     -0.00004     -0.00004     -0.00003      0.00003      0.00001 
     0.00003     -0.00002     -0.00007     -0.00002     -0.00012     -0.00007 
    -0.00003      0.00004     -0.00003      0.00000     -0.00012      0.00006 
    -0.00008     -0.00015      0.00150      0.00001      0.01004      0.40042 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4385094480
 Log product of positive Hessian eigenvalues =          520.2569114011
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7375804304
 Unscaled step for mode    7=        0.0000000013
 Unscaled step for mode    8=        0.0000000031
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=        0.0000000012
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000060
 Unscaled step for mode   17=       -0.0000000055
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000241
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000162
 Unscaled step for mode   22=       -0.0000000047
 Unscaled step for mode   23=        0.0000000036
 Unscaled step for mode   24=       -0.0000000040
 Unscaled step for mode   25=        0.0000000355
 Unscaled step for mode   26=        0.0000000595
 Unscaled step for mode   27=        0.0000000310
 Unscaled step for mode   28=        0.0000000025
 Unscaled step for mode   29=        0.0000000037
 Unscaled step for mode   30=        0.0000000550
 Unscaled step for mode   31=        0.0000000165
 Unscaled step for mode   32=        0.0000000067
 Unscaled step for mode   33=       -0.0000000239
 Unscaled step for mode   34=       -0.0000000139
 Unscaled step for mode   35=       -0.0000000694
 Unscaled step for mode   36=       -0.0000000227
 Unscaled step for mode   37=        0.0000000366
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000555
 Unscaled step for mode   40=       -0.0000000398
 Unscaled step for mode   41=       -0.0000000580
 Unscaled step for mode   42=        0.0000000212
 Unscaled step for mode   43=       -0.0000000208
 Unscaled step for mode   44=        0.0000000414
 Unscaled step for mode   45=       -0.0000000158
 Unscaled step for mode   46=       -0.0000000519
 Unscaled step for mode   47=        0.0000001045
 Unscaled step for mode   48=       -0.0000000037
 Unscaled step for mode   49=        0.0000000661
 Unscaled step for mode   50=        0.0000000397
 Unscaled step for mode   51=        0.0000000466
 Unscaled step for mode   52=        0.0000000008
 Unscaled step for mode   53=        0.0000000460
 Unscaled step for mode   54=        0.0000000381
 Unscaled step for mode   55=        0.0000000923
 Unscaled step for mode   56=       -0.0000000316
 Unscaled step for mode   57=       -0.0000000230
 Unscaled step for mode   58=        0.0000000896
 Unscaled step for mode   59=       -0.0000000440
 Unscaled step for mode   60=        0.0000000969
 Unscaled step for mode   61=        0.0000000848
 Unscaled step for mode   62=       -0.0000001995
 Unscaled step for mode   63=        0.0000001382
 Unscaled step for mode   64=        0.0000000601
 Unscaled step for mode   65=       -0.0000000003
 Unscaled step for mode   66=        0.0000001644
 Unscaled step for mode   67=        0.0000000164
 Unscaled step for mode   68=       -0.0000000524
 Unscaled step for mode   69=        0.0000000145
 Unscaled step for mode   70=       -0.0000001185
 Unscaled step for mode   71=       -0.0000000148
 Unscaled step for mode   72=       -0.0000002765
 Unscaled step for mode   73=       -0.0000001371
 Unscaled step for mode   74=        0.0000002720
 Unscaled step for mode   75=        0.0000002865
 Unscaled step for mode   76=        0.0000002671
 Unscaled step for mode   77=        0.0000005478
 Unscaled step for mode   78=        0.0000000284
 Unscaled step for mode   79=       -0.0000003355
 Unscaled step for mode   80=        0.0000001624
 Unscaled step for mode   81=        0.0000001723
 Unscaled step for mode   82=       -0.0000001738
 Unscaled step for mode   83=        0.0000001397
 Unscaled step for mode   84=        0.0000002811
 Unscaled step for mode   85=       -0.0000004461
 Unscaled step for mode   86=        0.0000005063
 Unscaled step for mode   87=       -0.0000001572
 Unscaled step for mode   88=       -0.0000000227
 Unscaled step for mode   89=        0.0000006007
 Unscaled step for mode   90=        0.0000002963
 Unscaled step for mode   91=       -0.0000000098
 Unscaled step for mode   92=        0.0000007989
 Unscaled step for mode   93=        0.0000007199
 Unscaled step for mode   94=        0.0000005227
 Unscaled step for mode   95=       -0.0000006800
 Unscaled step for mode   96=       -0.0000002259
 Unscaled step for mode   97=       -0.0000006754
 Unscaled step for mode   98=        0.0000005471
 Unscaled step for mode   99=        0.0000018565
 Unscaled step for mode  100=        0.0000005447
 Unscaled step for mode  101=        0.0000032910
 Unscaled step for mode  102=        0.0000023282
 Unscaled step for mode  103=        0.0000009550
 Unscaled step for mode  104=       -0.0000014922
 Unscaled step for mode  105=        0.0000015172
 Unscaled step for mode  106=       -0.0000000225
 Unscaled step for mode  107=        0.0000062129
 Unscaled step for mode  108=       -0.0000036846
 Unscaled step for mode  109=        0.0000054511
 Unscaled step for mode  110=        0.0000121974
 Unscaled step for mode  111=       -0.0001423285
 Unscaled step for mode  112=       -0.0000007852
 Unscaled step for mode  113=       -0.0013221718
 Unscaled step for mode  114=        0.0839244581
 Largest modulus ratio of non-zero e/values=           152.9955229    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.290349E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.431512E-15    0.100747E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.513044E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.641876E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.704731E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.257281E-15    0.973661E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.936139E-06    0.724829E+03  0.129153E-08 0.100000E-04    0.983968E+00
   8   -0.210138E-05    0.671999E+03  0.312706E-08 0.100000E-04    0.986292E+00
   9    0.764296E-06    0.625060E+03 -0.122276E-08 0.100000E-04    0.996151E+00
  10    0.157987E-05    0.604352E+03 -0.261415E-08 0.100000E-04    0.995532E+00
  11   -0.108051E-05    0.589418E+03  0.183319E-08 0.100000E-04    0.999546E+00
  12    0.316319E-05    0.566004E+03 -0.558864E-08 0.100000E-04    0.995153E+00
  13   -0.657173E-06    0.564879E+03  0.116339E-08 0.100000E-04    0.886308E+00
  14   -0.545034E-05    0.479716E+03  0.113616E-07 0.100000E-04    0.996968E+00
  15    0.184057E-05    0.468282E+03 -0.393048E-08 0.100000E-04    0.994883E+00
  16    0.279049E-05    0.462443E+03 -0.603424E-08 0.100000E-04    0.994341E+00
  17    0.243561E-05    0.441347E+03 -0.551859E-08 0.100000E-04    0.997533E+00
  18    0.426453E-05    0.430836E+03 -0.989826E-08 0.100000E-04    0.996901E+00
  19   -0.101643E-04    0.421040E+03  0.241410E-07 0.100000E-04    0.996110E+00
  20    0.894570E-05    0.406651E+03 -0.219985E-07 0.100000E-04    0.999290E+00
  21    0.646761E-05    0.398032E+03 -0.162490E-07 0.100000E-04    0.998121E+00
  22    0.182369E-05    0.388709E+03 -0.469167E-08 0.100000E-04    0.984022E+00
  23   -0.133494E-05    0.367166E+03  0.363580E-08 0.100000E-04    0.987670E+00
  24    0.145816E-05    0.363052E+03 -0.401638E-08 0.100000E-04    0.992017E+00
  25   -0.124896E-04    0.351902E+03  0.354917E-07 0.100000E-04    0.995433E+00
  26   -0.202354E-04    0.340143E+03  0.594910E-07 0.100000E-04    0.995088E+00
  27   -0.100719E-04    0.324661E+03  0.310228E-07 0.100000E-04    0.994627E+00
  28   -0.803265E-06    0.321754E+03  0.249652E-08 0.100000E-04    0.906783E+00
  29   -0.117690E-05    0.318691E+03  0.369292E-08 0.100000E-04    0.944939E+00
  30   -0.173914E-04    0.316467E+03  0.549548E-07 0.100000E-04    0.993924E+00
  31   -0.502795E-05    0.305066E+03  0.164815E-07 0.100000E-04    0.988023E+00
  32   -0.194004E-05    0.287626E+03  0.674499E-08 0.100000E-04    0.989136E+00
  33    0.667910E-05    0.279542E+03 -0.238930E-07 0.100000E-04    0.996436E+00
  34    0.375443E-05    0.271008E+03 -0.138536E-07 0.100000E-04    0.994867E+00
  35    0.184646E-04    0.265894E+03 -0.694433E-07 0.100000E-04    0.995578E+00
  36    0.597257E-05    0.262928E+03 -0.227156E-07 0.100000E-04    0.989449E+00
  37   -0.944056E-05    0.258138E+03  0.365717E-07 0.100000E-04    0.993957E+00
  38   -0.372631E-05    0.253568E+03  0.146955E-07 0.100000E-04    0.997439E+00
  39   -0.134833E-04    0.243050E+03  0.554756E-07 0.100000E-04    0.996801E+00
  40    0.948156E-05    0.238348E+03 -0.397803E-07 0.100000E-04    0.994408E+00
  41    0.136406E-04    0.235252E+03 -0.579829E-07 0.100000E-04    0.988911E+00
  42   -0.484348E-05    0.228685E+03  0.211797E-07 0.100000E-04    0.991527E+00
  43    0.462958E-05    0.223007E+03 -0.207598E-07 0.100000E-04    0.987661E+00
  44   -0.880333E-05    0.212802E+03  0.413687E-07 0.100000E-04    0.985484E+00
  45    0.335306E-05    0.211593E+03 -0.158467E-07 0.100000E-04    0.989442E+00
  46    0.108294E-04    0.208771E+03 -0.518720E-07 0.100000E-04    0.991775E+00
  47   -0.212319E-04    0.203164E+03  0.104506E-06 0.100000E-04    0.994605E+00
  48    0.724073E-06    0.198187E+03 -0.365349E-08 0.100000E-04    0.962138E+00
  49   -0.129178E-04    0.195516E+03  0.660703E-07 0.100000E-04    0.992524E+00
  50   -0.761129E-05    0.191610E+03  0.397229E-07 0.100000E-04    0.999072E+00
  51   -0.865197E-05    0.185703E+03  0.465904E-07 0.100000E-04    0.992407E+00
  52   -0.141461E-06    0.176885E+03  0.799733E-09 0.100000E-04    0.865406E+00
  53   -0.786576E-05    0.171018E+03  0.459936E-07 0.100000E-04    0.995630E+00
  54   -0.639771E-05    0.167873E+03  0.381104E-07 0.100000E-04    0.988771E+00
  55   -0.152939E-04    0.165622E+03  0.923423E-07 0.100000E-04    0.996018E+00
  56    0.506660E-05    0.160186E+03 -0.316294E-07 0.100000E-04    0.999693E+00
  57    0.353672E-05    0.153495E+03 -0.230413E-07 0.100000E-04    0.990437E+00
  58   -0.135303E-04    0.150967E+03  0.896246E-07 0.100000E-04    0.994450E+00
  59    0.656506E-05    0.149074E+03 -0.440388E-07 0.100000E-04    0.999267E+00
  60   -0.138423E-04    0.142891E+03  0.968730E-07 0.100000E-04    0.993886E+00
  61   -0.116172E-04    0.136947E+03  0.848302E-07 0.100000E-04    0.995041E+00
  62    0.269638E-04    0.135161E+03 -0.199494E-06 0.100000E-04    0.997684E+00
  63   -0.180961E-04    0.130903E+03  0.138240E-06 0.100000E-04    0.998195E+00
  64   -0.767265E-05    0.127665E+03  0.600998E-07 0.100000E-04    0.987649E+00
  65    0.333612E-07    0.125998E+03 -0.264775E-09 0.109000E-04    0.193638E+00
  66   -0.205731E-04    0.125153E+03  0.164383E-06 0.100000E-04    0.997060E+00
  67   -0.195633E-05    0.119495E+03  0.163716E-07 0.100000E-04    0.981600E+00
  68    0.618455E-05    0.117958E+03 -0.524301E-07 0.100000E-04    0.995938E+00
  69   -0.169243E-05    0.116700E+03  0.145024E-07 0.100000E-04    0.990114E+00
  70    0.132751E-04    0.111979E+03 -0.118550E-06 0.100000E-04    0.991175E+00
  71    0.161441E-05    0.109332E+03 -0.147661E-07 0.100000E-04    0.984565E+00
  72    0.290931E-04    0.105228E+03 -0.276476E-06 0.100000E-04    0.995304E+00
  73    0.141109E-04    0.102901E+03 -0.137130E-06 0.100000E-04    0.992108E+00
  74   -0.272359E-04    0.100135E+03  0.271992E-06 0.100000E-04    0.998714E+00
  75   -0.277736E-04    0.969478E+02  0.286480E-06 0.100000E-04    0.991178E+00
  76   -0.254063E-04    0.951135E+02  0.267116E-06 0.100000E-04    0.995874E+00
  77   -0.500006E-04    0.912760E+02  0.547795E-06 0.100000E-04    0.994800E+00
  78   -0.257384E-05    0.907722E+02  0.283550E-07 0.100000E-04    0.978018E+00
  79    0.299215E-04    0.891749E+02 -0.335537E-06 0.100000E-04    0.995426E+00
  80   -0.137418E-04    0.846172E+02  0.162399E-06 0.100000E-04    0.993564E+00
  81   -0.139377E-04    0.808973E+02  0.172288E-06 0.100000E-04    0.996247E+00
  82    0.138046E-04    0.794074E+02 -0.173845E-06 0.100000E-04    0.993942E+00
  83   -0.109697E-04    0.785185E+02  0.139709E-06 0.100000E-04    0.992693E+00
  84   -0.204635E-04    0.727997E+02  0.281093E-06 0.100000E-04    0.995632E+00
  85    0.319546E-04    0.716266E+02 -0.446128E-06 0.100000E-04    0.997488E+00
  86   -0.347234E-04    0.685862E+02  0.506273E-06 0.100000E-04    0.998476E+00
  87    0.106658E-04    0.678645E+02 -0.157164E-06 0.100000E-04    0.959857E+00
  88    0.143929E-05    0.634002E+02 -0.227017E-07 0.100000E-04    0.974833E+00
  89   -0.369595E-04    0.615284E+02  0.600691E-06 0.100000E-04    0.996206E+00
  90   -0.176770E-04    0.596524E+02  0.296334E-06 0.100000E-04    0.999197E+00
  91    0.574019E-06    0.588357E+02 -0.975630E-08 0.100000E-04    0.989285E+00
  92   -0.446465E-04    0.558853E+02  0.798895E-06 0.100000E-04    0.994823E+00
  93   -0.384140E-04    0.533604E+02  0.719897E-06 0.100000E-04    0.999127E+00
  94   -0.273004E-04    0.522295E+02  0.522700E-06 0.100000E-04    0.996165E+00
  95    0.341773E-04    0.502642E+02 -0.679953E-06 0.100000E-04    0.998342E+00
  96    0.108269E-04    0.479290E+02 -0.225895E-06 0.100000E-04    0.995483E+00
  97    0.292155E-04    0.432556E+02 -0.675416E-06 0.100000E-04    0.998235E+00
  98   -0.219112E-04    0.400531E+02  0.547054E-06 0.100000E-04    0.995110E+00
  99   -0.687291E-04    0.370218E+02  0.185645E-05 0.100000E-04    0.993830E+00
 100   -0.196223E-04    0.360243E+02  0.544697E-06 0.100000E-04    0.983243E+00
 101   -0.116560E-03    0.354174E+02  0.329103E-05 0.100000E-04    0.999079E+00
 102   -0.673645E-04    0.289347E+02  0.232815E-05 0.100000E-04    0.998568E+00
 103   -0.274702E-04    0.287657E+02  0.954964E-06 0.100000E-04    0.977899E+00
 104    0.427476E-04    0.286482E+02 -0.149216E-05 0.100000E-04    0.993211E+00
 105   -0.349610E-04    0.230431E+02  0.151720E-05 0.100000E-04    0.995061E+00
 106    0.493104E-06    0.219290E+02 -0.224864E-07 0.100000E-04    0.649570E+00
 107   -0.122776E-03    0.197614E+02  0.621291E-05 0.100000E-04    0.998949E+00
 108    0.618762E-04    0.167934E+02 -0.368455E-05 0.100000E-04    0.995074E+00
 109   -0.751219E-04    0.137810E+02  0.545114E-05 0.100000E-04    0.998977E+00
 110   -0.150865E-03    0.123686E+02  0.100000E-04 0.100000E-04    0.950744E+00
 111    0.149648E-02    0.105143E+02 -0.100000E-04 0.100000E-04    0.649082E+00
 112    0.751424E-05    0.957012E+01 -0.785177E-06 0.100000E-04    0.917119E+00
 113    0.100399E-01    0.759351E+01 -0.113854E-04 0.113854E-04    0.224074E+00
 114    0.400419E+00    0.473758E+01  0.400000E-03 0.400000E-03    0.240191E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8392445809E-01

 Beginning of optimization cycle  190.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3861293162
 potential> RMS force:                                               0.0376918828   |gradient|=.4024391826    
 Eigenvalues of the Hessian matrix:
   724.88897    672.01274    625.07573    604.35818    589.41196    566.03048 
   564.90930    479.73573    468.25945    462.43305    441.34612    430.82715 
   421.04712    406.66163    398.02838    388.71135    367.16993    363.04257 
   351.89380    340.10689    324.66726    321.74884    318.70428    316.44255 
   305.06161    287.63087    279.53731    271.00317    265.89772    262.93838 
   258.14540    253.57080    243.04148    238.33492    235.26255    228.68638 
   222.98761    212.80617    211.59747    208.75805    203.16756    198.18285 
   195.51661    191.60973    185.69344    176.87138    171.02355    167.86908 
   165.61979    160.17993    153.49499    150.96615    149.07764    142.89449 
   136.94704    135.16636    130.90174    127.66567    126.00047    125.15892 
   119.49638    117.95843    116.70332    111.97179    109.32107    105.22479 
   102.90282    100.13103     96.94238     95.11405     91.28544     90.76663 
    89.18507     84.61925     80.89756     79.41079     78.51652     72.79787 
    71.63014     68.57818     67.86389     63.39970     61.51894     59.65248 
    58.83831     55.88657     53.35633     52.22929     50.26317     47.92758 
    43.25157     40.05555     37.02067     36.01816     35.42458     28.93277 
    28.76428     28.64161     23.03991     21.92828     19.76499     16.79429 
    13.78055     12.36697     10.50204      9.57149      7.59272      4.73550 
overlap for current and previous eigenvector    109 is         0.9999988058
overlap for current and previous eigenvector    110 is         0.9999985254
overlap for current and previous eigenvector    111 is         0.9999925250
overlap for current and previous eigenvector    112 is         0.9999950654
overlap for current and previous eigenvector    113 is         0.9999984661
overlap for current and previous eigenvector    114 is         0.9999995677
J1,K1,R1,R2,RAT=   7   7   -0.1911906232E-01     2.018952488        0.9808809377    
FOB,PFOB,DIAG,PSTEP=   -0.9540383371E-06   -0.9361387511E-06     724.8889692        0.1291531208E-08
J1,K1,R1,R2,RAT=   8   8   -0.1642690173E-02     2.001601961        0.9983573098    
FOB,PFOB,DIAG,PSTEP=   -0.2104831305E-05   -0.2101379320E-05     672.0127428        0.3127056946E-08
J1,K1,R1,R2,RAT=   9   9    0.8679552689E-02     1.991269770        0.9912697696    
FOB,PFOB,DIAG,PSTEP=    0.7576621779E-06    0.7642960942E-06     625.0757279       -0.1222756583E-08
J1,K1,R1,R2,RAT=  10  10   -0.7970595203E-02     2.007951041        0.9920294048    
FOB,PFOB,DIAG,PSTEP=    0.1592459655E-05    0.1579867051E-05     604.3581752       -0.2614149296E-08
J1,K1,R1,R2,RAT=  11  11   -0.3781915324E-02     2.003801346        0.9962180847    
FOB,PFOB,DIAG,PSTEP=   -0.1084599032E-05   -0.1080512664E-05     589.4119622        0.1833186695E-08
J1,K1,R1,R2,RAT= 109 109   -0.1787474069E-03     2.000238475        0.9998212526    
FOB,PFOB,DIAG,PSTEP=   -0.7513537272E-04   -0.7512194527E-04     13.78055364        0.5451138168E-05
J1,K1,R1,R2,RAT= 110 110   -0.5948973905E-01     2.499287932        0.9405102609    
FOB,PFOB,DIAG,PSTEP=   -0.1582215888E-03   -0.1508645127E-03     12.36696651        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3482131976         28.84713830        0.6517868024    
FOB,PFOB,DIAG,PSTEP=    0.1533054186E-02    0.1496484686E-02     10.50204301       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.2026495115E-01     1.979450003        0.9794500029    
FOB,PFOB,DIAG,PSTEP=    0.7361941753E-05    0.7514239148E-05     9.571486463       -0.7851769191E-06
J1,K1,R1,R2,RAT= 113 113   -0.9682645713         233.2495426        0.3173542872E-01
FOB,PFOB,DIAG,PSTEP=    0.1012365120E-01    0.1003994815E-01     7.592720609       -0.1138544053E-04
J1,K1,R1,R2,RAT= 114 114    0.9975891051        -423.7821229        0.2410894938E-02
FOB,PFOB,DIAG,PSTEP=    0.4023087812        0.4004191483         4.735499011        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001      0.00001     -0.00001 
    -0.00001      0.00003     -0.00002     -0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00001     -0.00000      0.00003 
     0.00001      0.00003      0.00003     -0.00003      0.00005      0.00000 
     0.00003     -0.00001     -0.00001      0.00001     -0.00001     -0.00002 
    -0.00003      0.00003     -0.00001     -0.00000      0.00004      0.00002 
     0.00000     -0.00004     -0.00004     -0.00003      0.00003     -0.00001 
     0.00003     -0.00002     -0.00007     -0.00002     -0.00012     -0.00007 
    -0.00003      0.00004     -0.00004      0.00000     -0.00012      0.00006 
    -0.00008     -0.00016      0.00153      0.00001      0.01012      0.40231 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384856547
 Log product of positive Hessian eigenvalues =          520.2544272350
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7354990115
 Unscaled step for mode    7=        0.0000000013
 Unscaled step for mode    8=        0.0000000031
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000056
 Unscaled step for mode   13=        0.0000000012
 Unscaled step for mode   14=        0.0000000114
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000061
 Unscaled step for mode   17=       -0.0000000056
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000243
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000163
 Unscaled step for mode   22=       -0.0000000048
 Unscaled step for mode   23=        0.0000000036
 Unscaled step for mode   24=       -0.0000000040
 Unscaled step for mode   25=        0.0000000356
 Unscaled step for mode   26=        0.0000000598
 Unscaled step for mode   27=        0.0000000312
 Unscaled step for mode   28=        0.0000000022
 Unscaled step for mode   29=        0.0000000034
 Unscaled step for mode   30=        0.0000000552
 Unscaled step for mode   31=        0.0000000166
 Unscaled step for mode   32=        0.0000000068
 Unscaled step for mode   33=       -0.0000000241
 Unscaled step for mode   34=       -0.0000000140
 Unscaled step for mode   35=       -0.0000000696
 Unscaled step for mode   36=       -0.0000000230
 Unscaled step for mode   37=        0.0000000368
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000557
 Unscaled step for mode   40=       -0.0000000399
 Unscaled step for mode   41=       -0.0000000586
 Unscaled step for mode   42=        0.0000000213
 Unscaled step for mode   43=       -0.0000000209
 Unscaled step for mode   44=        0.0000000416
 Unscaled step for mode   45=       -0.0000000159
 Unscaled step for mode   46=       -0.0000000522
 Unscaled step for mode   47=        0.0000001049
 Unscaled step for mode   48=       -0.0000000038
 Unscaled step for mode   49=        0.0000000664
 Unscaled step for mode   50=        0.0000000401
 Unscaled step for mode   51=        0.0000000468
 Unscaled step for mode   52=        0.0000000008
 Unscaled step for mode   53=        0.0000000462
 Unscaled step for mode   54=        0.0000000384
 Unscaled step for mode   55=        0.0000000926
 Unscaled step for mode   56=       -0.0000000318
 Unscaled step for mode   57=       -0.0000000232
 Unscaled step for mode   58=        0.0000000902
 Unscaled step for mode   59=       -0.0000000438
 Unscaled step for mode   60=        0.0000000971
 Unscaled step for mode   61=        0.0000000856
 Unscaled step for mode   62=       -0.0000002002
 Unscaled step for mode   63=        0.0000001390
 Unscaled step for mode   64=        0.0000000607
 Unscaled step for mode   65=       -0.0000000002
 Unscaled step for mode   66=        0.0000001652
 Unscaled step for mode   67=       -0.0000000163
 Unscaled step for mode   68=        0.0000000527
 Unscaled step for mode   69=       -0.0000000148
 Unscaled step for mode   70=        0.0000001191
 Unscaled step for mode   71=        0.0000000150
 Unscaled step for mode   72=       -0.0000002785
 Unscaled step for mode   73=       -0.0000001381
 Unscaled step for mode   74=       -0.0000002730
 Unscaled step for mode   75=       -0.0000002887
 Unscaled step for mode   76=        0.0000002680
 Unscaled step for mode   77=       -0.0000005499
 Unscaled step for mode   78=       -0.0000000281
 Unscaled step for mode   79=       -0.0000003348
 Unscaled step for mode   80=        0.0000001632
 Unscaled step for mode   81=        0.0000001731
 Unscaled step for mode   82=       -0.0000001735
 Unscaled step for mode   83=        0.0000001398
 Unscaled step for mode   84=        0.0000002834
 Unscaled step for mode   85=        0.0000004488
 Unscaled step for mode   86=       -0.0000005059
 Unscaled step for mode   87=        0.0000001629
 Unscaled step for mode   88=        0.0000000231
 Unscaled step for mode   89=       -0.0000006038
 Unscaled step for mode   90=       -0.0000002988
 Unscaled step for mode   91=       -0.0000000100
 Unscaled step for mode   92=        0.0000008020
 Unscaled step for mode   93=        0.0000007215
 Unscaled step for mode   94=        0.0000005266
 Unscaled step for mode   95=       -0.0000006807
 Unscaled step for mode   96=        0.0000002254
 Unscaled step for mode   97=       -0.0000006799
 Unscaled step for mode   98=        0.0000005502
 Unscaled step for mode   99=        0.0000018764
 Unscaled step for mode  100=        0.0000005337
 Unscaled step for mode  101=        0.0000032958
 Unscaled step for mode  102=        0.0000023396
 Unscaled step for mode  103=        0.0000009758
 Unscaled step for mode  104=       -0.0000014948
 Unscaled step for mode  105=        0.0000015264
 Unscaled step for mode  106=       -0.0000000390
 Unscaled step for mode  107=        0.0000062281
 Unscaled step for mode  108=       -0.0000036477
 Unscaled step for mode  109=        0.0000054523
 Unscaled step for mode  110=        0.0000127939
 Unscaled step for mode  111=       -0.0001459768
 Unscaled step for mode  112=       -0.0000007692
 Unscaled step for mode  113=       -0.0013333341
 Unscaled step for mode  114=        0.0843514664
 Largest modulus ratio of non-zero e/values=           153.0755191    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.557714E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.102132E-15    0.100747E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.730210E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.699094E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.201737E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.238524E-17    0.973663E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.954038E-06    0.724889E+03  0.131612E-08 0.100000E-04    0.980881E+00
   8   -0.210483E-05    0.672013E+03  0.313213E-08 0.100000E-04    0.998357E+00
   9    0.757662E-06    0.625076E+03 -0.121211E-08 0.100000E-04    0.991270E+00
  10    0.159246E-05    0.604358E+03 -0.263496E-08 0.100000E-04    0.992029E+00
  11   -0.108460E-05    0.589412E+03  0.184014E-08 0.100000E-04    0.996218E+00
  12    0.314843E-05    0.566030E+03 -0.556230E-08 0.100000E-04    0.995241E+00
  13   -0.695749E-06    0.564909E+03  0.123161E-08 0.100000E-04    0.941303E+00
  14   -0.544585E-05    0.479736E+03  0.113518E-07 0.100000E-04    0.999092E+00
  15    0.183112E-05    0.468259E+03 -0.391048E-08 0.100000E-04    0.994863E+00
  16    0.281816E-05    0.462433E+03 -0.609420E-08 0.100000E-04    0.990085E+00
  17    0.246443E-05    0.441346E+03 -0.558390E-08 0.100000E-04    0.988167E+00
  18    0.427154E-05    0.430827E+03 -0.991474E-08 0.100000E-04    0.998356E+00
  19   -0.102158E-04    0.421047E+03  0.242627E-07 0.100000E-04    0.994940E+00
  20    0.896142E-05    0.406662E+03 -0.220365E-07 0.100000E-04    0.998244E+00
  21    0.649172E-05    0.398028E+03 -0.163097E-07 0.100000E-04    0.996272E+00
  22    0.185860E-05    0.388711E+03 -0.478144E-08 0.100000E-04    0.980859E+00
  23   -0.133124E-05    0.367170E+03  0.362567E-08 0.100000E-04    0.997203E+00
  24    0.144533E-05    0.363043E+03 -0.398117E-08 0.100000E-04    0.991207E+00
  25   -0.125448E-04    0.351894E+03  0.356494E-07 0.100000E-04    0.995579E+00
  26   -0.203428E-04    0.340107E+03  0.598130E-07 0.100000E-04    0.994694E+00
  27   -0.101154E-04    0.324667E+03  0.311563E-07 0.100000E-04    0.995677E+00
  28   -0.713817E-06    0.321749E+03  0.221855E-08 0.100000E-04    0.888642E+00
  29   -0.108550E-05    0.318704E+03  0.340598E-08 0.100000E-04    0.922257E+00
  30   -0.174671E-04    0.316443E+03  0.551983E-07 0.100000E-04    0.995647E+00
  31   -0.506155E-05    0.305062E+03  0.165919E-07 0.100000E-04    0.993317E+00
  32   -0.196882E-05    0.287631E+03  0.684496E-08 0.100000E-04    0.985162E+00
  33    0.672356E-05    0.279537E+03 -0.240525E-07 0.100000E-04    0.993344E+00
  34    0.379568E-05    0.271003E+03 -0.140061E-07 0.100000E-04    0.989013E+00
  35    0.185156E-04    0.265898E+03 -0.696341E-07 0.100000E-04    0.997239E+00
  36    0.603738E-05    0.262938E+03 -0.229612E-07 0.100000E-04    0.989148E+00
  37   -0.949656E-05    0.258145E+03  0.367877E-07 0.100000E-04    0.994068E+00
  38   -0.372194E-05    0.253571E+03  0.146781E-07 0.100000E-04    0.998806E+00
  39   -0.135398E-04    0.243041E+03  0.557099E-07 0.100000E-04    0.995811E+00
  40    0.951393E-05    0.238335E+03 -0.399183E-07 0.100000E-04    0.996586E+00
  41    0.137850E-04    0.235263E+03 -0.585943E-07 0.100000E-04    0.989410E+00
  42   -0.487197E-05    0.228686E+03  0.213041E-07 0.100000E-04    0.994118E+00
  43    0.466317E-05    0.222988E+03 -0.209123E-07 0.100000E-04    0.992744E+00
  44   -0.886283E-05    0.212806E+03  0.416474E-07 0.100000E-04    0.993241E+00
  45    0.335910E-05    0.211597E+03 -0.158750E-07 0.100000E-04    0.998197E+00
  46    0.108878E-04    0.208758E+03 -0.521553E-07 0.100000E-04    0.994600E+00
  47   -0.213067E-04    0.203168E+03  0.104873E-06 0.100000E-04    0.996478E+00
  48    0.746719E-06    0.198183E+03 -0.376783E-08 0.100000E-04    0.968724E+00
  49   -0.129782E-04    0.195517E+03  0.663792E-07 0.100000E-04    0.995324E+00
  50   -0.767451E-05    0.191610E+03  0.400528E-07 0.100000E-04    0.991694E+00
  51   -0.868518E-05    0.185693E+03  0.467716E-07 0.100000E-04    0.996161E+00
  52   -0.146688E-06    0.176871E+03  0.829349E-09 0.100000E-04    0.963047E+00
  53   -0.789420E-05    0.171024E+03  0.461586E-07 0.100000E-04    0.996384E+00
  54   -0.644237E-05    0.167869E+03  0.383773E-07 0.100000E-04    0.993019E+00
  55   -0.153405E-04    0.165620E+03  0.926248E-07 0.100000E-04    0.996953E+00
  56    0.509162E-05    0.160180E+03 -0.317869E-07 0.100000E-04    0.995062E+00
  57    0.356776E-05    0.153495E+03 -0.232435E-07 0.100000E-04    0.991224E+00
  58   -0.136181E-04    0.150966E+03  0.902062E-07 0.100000E-04    0.993515E+00
  59    0.653250E-05    0.149078E+03 -0.438194E-07 0.100000E-04    0.994997E+00
  60   -0.138822E-04    0.142894E+03  0.971499E-07 0.100000E-04    0.997119E+00
  61   -0.117176E-04    0.136947E+03  0.855633E-07 0.100000E-04    0.991355E+00
  62    0.270584E-04    0.135166E+03 -0.200186E-06 0.100000E-04    0.996489E+00
  63   -0.181930E-04    0.130902E+03  0.138982E-06 0.100000E-04    0.994645E+00
  64   -0.775454E-05    0.127666E+03  0.607410E-07 0.100000E-04    0.989327E+00
  65    0.225022E-07    0.126000E+03 -0.178588E-09 0.100000E-04    0.674473E+00
  66   -0.206771E-04    0.125159E+03  0.165207E-06 0.100000E-04    0.994943E+00
  67    0.195101E-05    0.119496E+03 -0.163270E-07 0.100000E-04    0.997262E+00
  68   -0.622119E-05    0.117958E+03  0.527405E-07 0.100000E-04    0.994076E+00
  69    0.173223E-05    0.116703E+03 -0.148430E-07 0.100000E-04    0.976489E+00
  70   -0.133342E-04    0.111972E+03  0.119085E-06 0.100000E-04    0.995547E+00
  71   -0.164176E-05    0.109321E+03  0.150178E-07 0.100000E-04    0.983056E+00
  72    0.293053E-04    0.105225E+03 -0.278502E-06 0.100000E-04    0.992708E+00
  73    0.142114E-04    0.102903E+03 -0.138105E-06 0.100000E-04    0.992880E+00
  74    0.273334E-04    0.100131E+03 -0.272976E-06 0.100000E-04    0.996420E+00
  75    0.279855E-04    0.969424E+02 -0.288682E-06 0.100000E-04    0.992370E+00
  76   -0.254924E-04    0.951141E+02  0.268019E-06 0.100000E-04    0.996613E+00
  77    0.501967E-04    0.912854E+02 -0.549887E-06 0.100000E-04    0.996078E+00
  78    0.254783E-05    0.907666E+02 -0.280702E-07 0.100000E-04    0.989894E+00
  79    0.298623E-04    0.891851E+02 -0.334835E-06 0.100000E-04    0.997794E+00
  80   -0.138100E-04    0.846192E+02  0.163201E-06 0.100000E-04    0.995038E+00
  81   -0.140049E-04    0.808976E+02  0.173118E-06 0.100000E-04    0.995178E+00
  82    0.137756E-04    0.794108E+02 -0.173472E-06 0.100000E-04    0.997815E+00
  83   -0.109783E-04    0.785165E+02  0.139821E-06 0.100000E-04    0.999222E+00
  84   -0.206317E-04    0.727979E+02  0.283410E-06 0.100000E-04    0.991781E+00
  85   -0.321458E-04    0.716301E+02  0.448775E-06 0.100000E-04    0.994019E+00
  86    0.346964E-04    0.685782E+02 -0.505939E-06 0.100000E-04    0.999223E+00
  87   -0.110535E-04    0.678639E+02  0.162878E-06 0.100000E-04    0.963650E+00
  88   -0.146514E-05    0.633997E+02  0.231095E-07 0.100000E-04    0.982044E+00
  89    0.371474E-04    0.615189E+02 -0.603838E-06 0.100000E-04    0.994915E+00
  90    0.178244E-04    0.596525E+02 -0.298804E-06 0.100000E-04    0.991663E+00
  91    0.591217E-06    0.588383E+02 -0.100482E-07 0.100000E-04    0.970041E+00
  92   -0.448187E-04    0.558866E+02  0.801958E-06 0.100000E-04    0.996144E+00
  93   -0.384989E-04    0.533563E+02  0.721543E-06 0.100000E-04    0.997790E+00
  94   -0.275018E-04    0.522293E+02  0.526559E-06 0.100000E-04    0.992622E+00
  95    0.342123E-04    0.502632E+02 -0.680664E-06 0.100000E-04    0.998974E+00
  96   -0.108025E-04    0.479276E+02  0.225392E-06 0.100000E-04    0.997741E+00
  97    0.294068E-04    0.432516E+02 -0.679901E-06 0.100000E-04    0.993454E+00
  98   -0.220392E-04    0.400555E+02  0.550215E-06 0.100000E-04    0.994161E+00
  99   -0.694664E-04    0.370207E+02  0.187642E-05 0.100000E-04    0.989272E+00
 100   -0.192223E-04    0.360182E+02  0.533683E-06 0.100000E-04    0.979608E+00
 101   -0.116751E-03    0.354246E+02  0.329576E-05 0.100000E-04    0.998361E+00
 102   -0.676913E-04    0.289328E+02  0.233961E-05 0.100000E-04    0.995148E+00
 103   -0.280674E-04    0.287643E+02  0.975772E-06 0.100000E-04    0.978261E+00
 104    0.428121E-04    0.286416E+02 -0.149475E-05 0.100000E-04    0.998491E+00
 105   -0.351684E-04    0.230399E+02  0.152641E-05 0.100000E-04    0.994067E+00
 106    0.854179E-06    0.219283E+02 -0.389533E-07 0.100000E-04    0.267726E+00
 107   -0.123099E-03    0.197650E+02  0.622813E-05 0.100000E-04    0.997370E+00
 108    0.612608E-04    0.167943E+02 -0.364771E-05 0.100000E-04    0.989949E+00
 109   -0.751354E-04    0.137806E+02  0.545228E-05 0.100000E-04    0.999821E+00
 110   -0.158222E-03    0.123670E+02  0.100000E-04 0.100000E-04    0.940510E+00
 111    0.153305E-02    0.105020E+02 -0.100000E-04 0.100000E-04    0.651787E+00
 112    0.736194E-05    0.957149E+01 -0.769153E-06 0.100000E-04    0.979450E+00
 113    0.101237E-01    0.759272E+01 -0.124101E-04 0.124101E-04    0.317354E-01
 114    0.402309E+00    0.473550E+01  0.400000E-03 0.400000E-03    0.241089E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8435146643E-01

 Beginning of optimization cycle  191.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3859681561
 potential> RMS force:                                               0.0378689175   |gradient|=.4043293952    
 Eigenvalues of the Hessian matrix:
   724.94931    672.02630    625.09148    604.36408    589.40610    566.05757 
   564.93960    479.75585    468.23655    462.42353    441.34519    430.81797 
   421.05433    406.67232    398.02430    388.71408    367.17346    363.03272 
   351.88585    340.07121    324.67391    321.74380    318.71802    316.41758 
   305.05688    287.63571    279.53213    270.99837    265.90150    262.94844 
   258.15285    253.57335    243.03337    238.32208    235.27335    228.68748 
   222.96812    212.81052    211.60225    208.74521    203.17086    198.17893 
   195.51695    191.60961    185.68393    176.85741    171.02868    167.86530 
   165.61791    160.17364    153.49539    150.96551    149.08071    142.89762 
   136.94745    135.17180    130.90022    127.66623    126.00260    125.16448 
   119.49771    117.95893    116.70627    111.96447    109.31023    105.22117 
   102.90423    100.12731     96.93690     95.11458     91.29492     90.76107 
    89.19516     84.62136     80.89784     79.41419     78.51449     72.79607 
    71.63370     68.57015     67.86316     63.39919     61.50938     59.65254 
    58.84085     55.88777     53.35225     52.22906     50.26214     47.92614 
    43.24755     40.05797     37.01966     36.01183     35.43165     28.93086 
    28.76297     28.63487     23.03680     21.92749     19.76857     16.79516 
    13.78015     12.36540     10.48979      9.57284      7.59189      4.73339 
overlap for current and previous eigenvector    109 is         0.9999988179
overlap for current and previous eigenvector    110 is         0.9999985527
overlap for current and previous eigenvector    111 is         0.9999922805
overlap for current and previous eigenvector    112 is         0.9999947806
overlap for current and previous eigenvector    113 is         0.9999984454
overlap for current and previous eigenvector    114 is         0.9999995696
J1,K1,R1,R2,RAT=   7   7   -0.1572942083E-01     2.015562938        0.9842705792    
FOB,PFOB,DIAG,PSTEP=   -0.9690460568E-06   -0.9540383371E-06     724.9493149        0.1316116506E-08
J1,K1,R1,R2,RAT=   8   8   -0.1344604558E-01     2.013405692        0.9865539544    
FOB,PFOB,DIAG,PSTEP=   -0.2133133534E-05   -0.2104831305E-05     672.0263020        0.3132130050E-08
J1,K1,R1,R2,RAT=   9   9   -0.3500311404E-02     2.003449912        0.9964996886    
FOB,PFOB,DIAG,PSTEP=    0.7603142983E-06    0.7576621779E-06     625.0914801       -0.1212112619E-08
J1,K1,R1,R2,RAT=  10  10    0.4388944582E-02     1.995591525        0.9955915246    
FOB,PFOB,DIAG,PSTEP=    0.1585470369E-05    0.1592459655E-05     604.3640770       -0.2634960062E-08
J1,K1,R1,R2,RAT=  11  11    0.4304670817E-03     1.999589434        0.9995695329    
FOB,PFOB,DIAG,PSTEP=   -0.1084132152E-05   -0.1084599032E-05     589.4060975        0.1840137461E-08
J1,K1,R1,R2,RAT= 109 109   -0.9789082272E-03     2.001037576        0.9990210918    
FOB,PFOB,DIAG,PSTEP=   -0.7520892120E-04   -0.7513537272E-04     13.78014941        0.5452275337E-05
J1,K1,R1,R2,RAT= 110 110   -0.6255111087E-01     2.621653250        0.9374488891    
FOB,PFOB,DIAG,PSTEP=   -0.1659562829E-03   -0.1582215888E-03     12.36539850        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3587511811         29.58820659        0.6412488189    
FOB,PFOB,DIAG,PSTEP=    0.1570686430E-02    0.1533054186E-02     10.48978960       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8539606073E-01     2.085113836        0.9146039393    
FOB,PFOB,DIAG,PSTEP=    0.7990711305E-05    0.7361941753E-05     9.572837308       -0.7691534414E-06
J1,K1,R1,R2,RAT= 113 113   -0.8056559947         215.7078440        0.1943440053    
FOB,PFOB,DIAG,PSTEP=    0.1019955718E-01    0.1012365120E-01     7.591891537       -0.1241013018E-04
J1,K1,R1,R2,RAT= 114 114    0.9975760498        -425.9666531        0.2423950227E-02
FOB,PFOB,DIAG,PSTEP=    0.4041975474        0.4023087812         4.733388886        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001      0.00001     -0.00001 
    -0.00001      0.00003     -0.00002     -0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00001     -0.00000     -0.00003 
     0.00001     -0.00003      0.00003     -0.00003     -0.00005      0.00000 
     0.00003      0.00001     -0.00001      0.00001     -0.00001      0.00002 
    -0.00003      0.00003     -0.00001     -0.00000      0.00004      0.00002 
     0.00000     -0.00005     -0.00004     -0.00003      0.00003     -0.00001 
     0.00003     -0.00002     -0.00007     -0.00002     -0.00012     -0.00007 
    -0.00003      0.00004     -0.00004      0.00000     -0.00012      0.00006 
    -0.00008     -0.00017      0.00157      0.00001      0.01020      0.40420 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384633158
 Log product of positive Hessian eigenvalues =          520.2519241719
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7333888862
 Unscaled step for mode    7=        0.0000000013
 Unscaled step for mode    8=        0.0000000032
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=        0.0000000014
 Unscaled step for mode   14=        0.0000000113
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000061
 Unscaled step for mode   17=       -0.0000000056
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000244
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000163
 Unscaled step for mode   22=       -0.0000000049
 Unscaled step for mode   23=        0.0000000036
 Unscaled step for mode   24=       -0.0000000039
 Unscaled step for mode   25=        0.0000000358
 Unscaled step for mode   26=        0.0000000601
 Unscaled step for mode   27=        0.0000000313
 Unscaled step for mode   28=        0.0000000020
 Unscaled step for mode   29=        0.0000000032
 Unscaled step for mode   30=        0.0000000555
 Unscaled step for mode   31=        0.0000000168
 Unscaled step for mode   32=        0.0000000069
 Unscaled step for mode   33=       -0.0000000241
 Unscaled step for mode   34=       -0.0000000141
 Unscaled step for mode   35=       -0.0000000699
 Unscaled step for mode   36=       -0.0000000232
 Unscaled step for mode   37=        0.0000000370
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000559
 Unscaled step for mode   40=       -0.0000000401
 Unscaled step for mode   41=       -0.0000000592
 Unscaled step for mode   42=        0.0000000215
 Unscaled step for mode   43=       -0.0000000212
 Unscaled step for mode   44=        0.0000000422
 Unscaled step for mode   45=       -0.0000000157
 Unscaled step for mode   46=       -0.0000000526
 Unscaled step for mode   47=        0.0000001054
 Unscaled step for mode   48=       -0.0000000039
 Unscaled step for mode   49=        0.0000000669
 Unscaled step for mode   50=        0.0000000400
 Unscaled step for mode   51=        0.0000000471
 Unscaled step for mode   52=        0.0000000009
 Unscaled step for mode   53=        0.0000000464
 Unscaled step for mode   54=        0.0000000388
 Unscaled step for mode   55=        0.0000000930
 Unscaled step for mode   56=       -0.0000000318
 Unscaled step for mode   57=       -0.0000000235
 Unscaled step for mode   58=        0.0000000907
 Unscaled step for mode   59=       -0.0000000438
 Unscaled step for mode   60=        0.0000000977
 Unscaled step for mode   61=        0.0000000860
 Unscaled step for mode   62=       -0.0000002006
 Unscaled step for mode   63=        0.0000001392
 Unscaled step for mode   64=        0.0000000615
 Unscaled step for mode   65=       -0.0000000003
 Unscaled step for mode   66=        0.0000001657
 Unscaled step for mode   67=       -0.0000000166
 Unscaled step for mode   68=        0.0000000530
 Unscaled step for mode   69=       -0.0000000150
 Unscaled step for mode   70=        0.0000001201
 Unscaled step for mode   71=        0.0000000152
 Unscaled step for mode   72=        0.0000002798
 Unscaled step for mode   73=       -0.0000001392
 Unscaled step for mode   74=        0.0000002733
 Unscaled step for mode   75=       -0.0000002912
 Unscaled step for mode   76=        0.0000002691
 Unscaled step for mode   77=        0.0000005526
 Unscaled step for mode   78=       -0.0000000275
 Unscaled step for mode   79=       -0.0000003333
 Unscaled step for mode   80=       -0.0000001642
 Unscaled step for mode   81=        0.0000001738
 Unscaled step for mode   82=       -0.0000001724
 Unscaled step for mode   83=        0.0000001408
 Unscaled step for mode   84=       -0.0000002846
 Unscaled step for mode   85=        0.0000004499
 Unscaled step for mode   86=       -0.0000005050
 Unscaled step for mode   87=        0.0000001691
 Unscaled step for mode   88=        0.0000000225
 Unscaled step for mode   89=       -0.0000006062
 Unscaled step for mode   90=       -0.0000002990
 Unscaled step for mode   91=       -0.0000000101
 Unscaled step for mode   92=        0.0000008060
 Unscaled step for mode   93=        0.0000007209
 Unscaled step for mode   94=        0.0000005286
 Unscaled step for mode   95=       -0.0000006795
 Unscaled step for mode   96=        0.0000002264
 Unscaled step for mode   97=       -0.0000006811
 Unscaled step for mode   98=        0.0000005529
 Unscaled step for mode   99=        0.0000018878
 Unscaled step for mode  100=        0.0000005244
 Unscaled step for mode  101=        0.0000032979
 Unscaled step for mode  102=        0.0000023434
 Unscaled step for mode  103=        0.0000009918
 Unscaled step for mode  104=       -0.0000014872
 Unscaled step for mode  105=        0.0000015340
 Unscaled step for mode  106=       -0.0000000271
 Unscaled step for mode  107=        0.0000062331
 Unscaled step for mode  108=       -0.0000036294
 Unscaled step for mode  109=        0.0000054578
 Unscaled step for mode  110=        0.0000134210
 Unscaled step for mode  111=       -0.0001497348
 Unscaled step for mode  112=       -0.0000008347
 Unscaled step for mode  113=       -0.0013434779
 Unscaled step for mode  114=        0.0847790853
 Largest modulus ratio of non-zero e/values=           153.1565084    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.336320E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.997466E-17    0.100746E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.682614E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.173906E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.233056E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.960739E-15    0.973665E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.969046E-06    0.724949E+03  0.133671E-08 0.100000E-04    0.984271E+00
   8   -0.213313E-05    0.672026E+03  0.317418E-08 0.100000E-04    0.986554E+00
   9    0.760314E-06    0.625091E+03 -0.121632E-08 0.100000E-04    0.996500E+00
  10    0.158547E-05    0.604364E+03 -0.262337E-08 0.100000E-04    0.995592E+00
  11   -0.108413E-05    0.589406E+03  0.183936E-08 0.100000E-04    0.999570E+00
  12    0.313090E-05    0.566058E+03 -0.553106E-08 0.100000E-04    0.994336E+00
  13   -0.762988E-06    0.564940E+03  0.135057E-08 0.100000E-04    0.903363E+00
  14   -0.542928E-05    0.479756E+03  0.113168E-07 0.100000E-04    0.996873E+00
  15    0.184028E-05    0.468237E+03 -0.393023E-08 0.100000E-04    0.994998E+00
  16    0.283405E-05    0.462424E+03 -0.612869E-08 0.100000E-04    0.994360E+00
  17    0.247055E-05    0.441345E+03 -0.559777E-08 0.100000E-04    0.997518E+00
  18    0.428444E-05    0.430818E+03 -0.994490E-08 0.100000E-04    0.996979E+00
  19   -0.102552E-04    0.421054E+03  0.243559E-07 0.100000E-04    0.996142E+00
  20    0.895517E-05    0.406672E+03 -0.220206E-07 0.100000E-04    0.999250E+00
  21    0.650357E-05    0.398024E+03 -0.163396E-07 0.100000E-04    0.998174E+00
  22    0.188763E-05    0.388714E+03 -0.485608E-08 0.100000E-04    0.984382E+00
  23   -0.131445E-05    0.367173E+03  0.357991E-08 0.100000E-04    0.987369E+00
  24    0.143322E-05    0.363033E+03 -0.394790E-08 0.100000E-04    0.991616E+00
  25   -0.126015E-04    0.351886E+03  0.358113E-07 0.100000E-04    0.995481E+00
  26   -0.204417E-04    0.340071E+03  0.601099E-07 0.100000E-04    0.995140E+00
  27   -0.101693E-04    0.324674E+03  0.313216E-07 0.100000E-04    0.994674E+00
  28   -0.630289E-06    0.321744E+03  0.195898E-08 0.100000E-04    0.882983E+00
  29   -0.102035E-05    0.318718E+03  0.320141E-08 0.100000E-04    0.939895E+00
  30   -0.175701E-04    0.316418E+03  0.555283E-07 0.100000E-04    0.994101E+00
  31   -0.512144E-05    0.305057E+03  0.167885E-07 0.100000E-04    0.988168E+00
  32   -0.198998E-05    0.287636E+03  0.691839E-08 0.100000E-04    0.989256E+00
  33    0.674746E-05    0.279532E+03 -0.241384E-07 0.100000E-04    0.996444E+00
  34    0.381540E-05    0.270998E+03 -0.140790E-07 0.100000E-04    0.994807E+00
  35    0.185960E-04    0.265901E+03 -0.699356E-07 0.100000E-04    0.995657E+00
  36    0.610069E-05    0.262948E+03 -0.232011E-07 0.100000E-04    0.989514E+00
  37   -0.955350E-05    0.258153E+03  0.370071E-07 0.100000E-04    0.994005E+00
  38   -0.373077E-05    0.253573E+03  0.147128E-07 0.100000E-04    0.997627E+00
  39   -0.135825E-04    0.243033E+03  0.558875E-07 0.100000E-04    0.996845E+00
  40    0.956343E-05    0.238322E+03 -0.401282E-07 0.100000E-04    0.994797E+00
  41    0.139376E-04    0.235273E+03 -0.592401E-07 0.100000E-04    0.988933E+00
  42   -0.491294E-05    0.228687E+03  0.214832E-07 0.100000E-04    0.991590E+00
  43    0.472015E-05    0.222968E+03 -0.211696E-07 0.100000E-04    0.987781E+00
  44   -0.898874E-05    0.212811E+03  0.422382E-07 0.100000E-04    0.985794E+00
  45    0.332287E-05    0.211602E+03 -0.157034E-07 0.100000E-04    0.989171E+00
  46    0.109762E-04    0.208745E+03 -0.525818E-07 0.100000E-04    0.991884E+00
  47   -0.214198E-04    0.203171E+03  0.105427E-06 0.100000E-04    0.994694E+00
  48    0.773268E-06    0.198179E+03 -0.390187E-08 0.100000E-04    0.964445E+00
  49   -0.130741E-04    0.195517E+03  0.668696E-07 0.100000E-04    0.992609E+00
  50   -0.766738E-05    0.191610E+03  0.400156E-07 0.100000E-04    0.999070E+00
  51   -0.875038E-05    0.185684E+03  0.471252E-07 0.100000E-04    0.992493E+00
  52   -0.163696E-06    0.176857E+03  0.925581E-09 0.100000E-04    0.884045E+00
  53   -0.792830E-05    0.171029E+03  0.463565E-07 0.100000E-04    0.995681E+00
  54   -0.651381E-05    0.167865E+03  0.388038E-07 0.100000E-04    0.988911E+00
  55   -0.154005E-04    0.165618E+03  0.929880E-07 0.100000E-04    0.996089E+00
  56    0.509320E-05    0.160174E+03 -0.317980E-07 0.100000E-04    0.999688E+00
  57    0.360150E-05    0.153495E+03 -0.234632E-07 0.100000E-04    0.990544E+00
  58   -0.136934E-04    0.150966E+03  0.907055E-07 0.100000E-04    0.994470E+00
  59    0.653505E-05    0.149081E+03 -0.438356E-07 0.100000E-04    0.999609E+00
  60   -0.139656E-04    0.142898E+03  0.977317E-07 0.100000E-04    0.993989E+00
  61   -0.117758E-04    0.136947E+03  0.859877E-07 0.100000E-04    0.995037E+00
  62    0.271197E-04    0.135172E+03 -0.200631E-06 0.100000E-04    0.997736E+00
  63   -0.182253E-04    0.130900E+03  0.139230E-06 0.100000E-04    0.998225E+00
  64   -0.784943E-05    0.127666E+03  0.614840E-07 0.100000E-04    0.987763E+00
  65    0.389437E-07    0.126003E+03 -0.309071E-09 0.100000E-04    0.269350E+00
  66   -0.207370E-04    0.125164E+03  0.165678E-06 0.100000E-04    0.997103E+00
  67    0.198650E-05    0.119498E+03 -0.166238E-07 0.100000E-04    0.981809E+00
  68   -0.624614E-05    0.117959E+03  0.529518E-07 0.100000E-04    0.995989E+00
  69    0.174893E-05    0.116706E+03 -0.149858E-07 0.100000E-04    0.990355E+00
  70   -0.134503E-04    0.111964E+03  0.120130E-06 0.100000E-04    0.991292E+00
  71   -0.166675E-05    0.109310E+03  0.152479E-07 0.100000E-04    0.984773E+00
  72   -0.294426E-04    0.105221E+03  0.279816E-06 0.100000E-04    0.995316E+00
  73    0.143218E-04    0.102904E+03 -0.139176E-06 0.100000E-04    0.992225E+00
  74   -0.273670E-04    0.100127E+03  0.273322E-06 0.100000E-04    0.998772E+00
  75    0.282302E-04    0.969369E+02 -0.291222E-06 0.100000E-04    0.991257E+00
  76   -0.255947E-04    0.951146E+02  0.269093E-06 0.100000E-04    0.995986E+00
  77   -0.504512E-04    0.912949E+02  0.552618E-06 0.100000E-04    0.994931E+00
  78    0.249466E-05    0.907611E+02 -0.274860E-07 0.100000E-04    0.979128E+00
  79    0.297272E-04    0.891952E+02 -0.333282E-06 0.100000E-04    0.995248E+00
  80    0.138974E-04    0.846214E+02 -0.164230E-06 0.100000E-04    0.993670E+00
  81   -0.140569E-04    0.808978E+02  0.173762E-06 0.100000E-04    0.996282E+00
  82    0.136907E-04    0.794142E+02 -0.172397E-06 0.100000E-04    0.993755E+00
  83   -0.110575E-04    0.785145E+02  0.140834E-06 0.100000E-04    0.992786E+00
  84    0.207212E-04    0.727961E+02 -0.284648E-06 0.100000E-04    0.995658E+00
  85   -0.322256E-04    0.716337E+02  0.449866E-06 0.100000E-04    0.997518E+00
  86    0.346283E-04    0.685702E+02 -0.505005E-06 0.100000E-04    0.998037E+00
  87   -0.114780E-04    0.678632E+02  0.169135E-06 0.100000E-04    0.961596E+00
  88   -0.142721E-05    0.633992E+02  0.225115E-07 0.100000E-04    0.974113E+00
  89    0.372871E-04    0.615094E+02 -0.606202E-06 0.100000E-04    0.996240E+00
  90    0.178391E-04    0.596525E+02 -0.299050E-06 0.100000E-04    0.999176E+00
  91    0.596810E-06    0.588409E+02 -0.101428E-07 0.100000E-04    0.990541E+00
  92   -0.450460E-04    0.558878E+02  0.806008E-06 0.100000E-04    0.994928E+00
  93   -0.384636E-04    0.533523E+02  0.720937E-06 0.100000E-04    0.999084E+00
  94   -0.276065E-04    0.522291E+02  0.528566E-06 0.100000E-04    0.996191E+00
  95    0.341535E-04    0.502621E+02 -0.679507E-06 0.100000E-04    0.998279E+00
  96   -0.108500E-04    0.479261E+02  0.226391E-06 0.100000E-04    0.995598E+00
  97    0.294577E-04    0.432475E+02 -0.681142E-06 0.100000E-04    0.998267E+00
  98   -0.221464E-04    0.400580E+02  0.552859E-06 0.100000E-04    0.995134E+00
  99   -0.698853E-04    0.370197E+02  0.188779E-05 0.100000E-04    0.993970E+00
 100   -0.188846E-04    0.360118E+02  0.524401E-06 0.100000E-04    0.982432E+00
 101   -0.116848E-03    0.354317E+02  0.329786E-05 0.100000E-04    0.999165E+00
 102   -0.677951E-04    0.289309E+02  0.234335E-05 0.100000E-04    0.998466E+00
 103   -0.285274E-04    0.287630E+02  0.991810E-06 0.100000E-04    0.983609E+00
 104    0.425866E-04    0.286349E+02 -0.148723E-05 0.100000E-04    0.994731E+00
 105   -0.353395E-04    0.230368E+02  0.153404E-05 0.100000E-04    0.995133E+00
 106    0.594883E-06    0.219275E+02 -0.271296E-07 0.100000E-04    0.696427E+00
 107   -0.123220E-03    0.197686E+02  0.623311E-05 0.100000E-04    0.999020E+00
 108    0.609562E-04    0.167952E+02 -0.362939E-05 0.100000E-04    0.994925E+00
 109   -0.752089E-04    0.137801E+02  0.545777E-05 0.100000E-04    0.999021E+00
 110   -0.165956E-03    0.123654E+02  0.100000E-04 0.100000E-04    0.937449E+00
 111    0.157069E-02    0.104898E+02 -0.100000E-04 0.100000E-04    0.641249E+00
 112    0.799071E-05    0.957284E+01 -0.834728E-06 0.100000E-04    0.914604E+00
 113    0.101996E-01    0.759189E+01 -0.135270E-04 0.135270E-04    0.194344E+00
 114    0.404198E+00    0.473339E+01  0.400000E-03 0.400000E-03    0.242395E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8477908532E-01

 Beginning of optimization cycle  192.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3858062532
 potential> RMS force:                                               0.0380458509   |gradient|=.4062185270    
 Eigenvalues of the Hessian matrix:
   725.00963    672.03974    625.10715    604.36998    589.40009    566.08505 
   564.96954    479.77598    468.21363    462.41406    441.34430    430.80890 
   421.06157    406.68301    398.02023    388.71679    367.17705    363.02286 
   351.87799    340.03568    324.68062    321.73887    318.73179    316.39245 
   305.05216    287.64059    279.52696    270.99365    265.90535    262.95856 
   258.16044    253.57593    243.02536    238.30933    235.28413    228.68859 
   222.94863    212.81499    211.60705    208.73238    203.17419    198.17503 
   195.51726    191.60948    185.67441    176.84343    171.03382    167.86154 
   165.61601    160.16729    153.49588    150.96491    149.08364    142.90072 
   136.94787    135.17727    130.89866    127.66684    126.00468    125.17002 
   119.49903    117.95943    116.70918    111.95713    109.29935    105.21753 
   102.90565    100.12360     96.93134     95.11507     91.30446     90.75553 
    89.20521     84.62349     80.89813     79.41760     78.51246     72.79428 
    71.63723     68.56217     67.86227     63.39868     61.49976     59.65262 
    58.84336     55.88896     53.34814     52.22883     50.26110     47.92465 
    43.24355     40.06037     37.01875     36.00533     35.43866     28.92901 
    28.76177     28.62795     23.03375     21.92665     19.77214     16.79601 
    13.77975     12.36385     10.47754      9.57417      7.59103      4.73125 
overlap for current and previous eigenvector    109 is        -0.9999988301
overlap for current and previous eigenvector    110 is        -0.9999985795
overlap for current and previous eigenvector    111 is         0.9999920158
overlap for current and previous eigenvector    112 is        -0.9999944761
overlap for current and previous eigenvector    113 is        -0.9999984239
overlap for current and previous eigenvector    114 is         0.9999995713
J1,K1,R1,R2,RAT=   7   7   -0.1542009698E-01     2.015253700        0.9845799030    
FOB,PFOB,DIAG,PSTEP=   -0.9839900843E-06   -0.9690460568E-06     725.0096347        0.1336708701E-08
J1,K1,R1,R2,RAT=   8   8   -0.1367543069E-01     2.013635439        0.9863245693    
FOB,PFOB,DIAG,PSTEP=   -0.2162305637E-05   -0.2133133534E-05     672.0397400        0.3174181617E-08
J1,K1,R1,R2,RAT=   9   9   -0.3752729236E-02     2.003702589        0.9962472708    
FOB,PFOB,DIAG,PSTEP=    0.7631676235E-06    0.7603142983E-06     625.1071516       -0.1216324846E-08
J1,K1,R1,R2,RAT=  10  10    0.4592546732E-02     1.995387926        0.9953879255    
FOB,PFOB,DIAG,PSTEP=    0.1578188952E-05    0.1585470369E-05     604.3699780       -0.2623369637E-08
J1,K1,R1,R2,RAT=  11  11    0.1017146490E-02     1.999003222        0.9989828535    
FOB,PFOB,DIAG,PSTEP=   -0.1083029442E-05   -0.1084132152E-05     589.4000949        0.1839363653E-08
J1,K1,R1,R2,RAT= 109 109     2.001224511       -0.1166837302E-02    0.9988331627    
FOB,PFOB,DIAG,PSTEP=    0.7529667524E-04   -0.7520892120E-04     13.77975204        0.5457772551E-05
J1,K1,R1,R2,RAT= 110 110     2.749443257       -0.6490270711E-01    0.9350972929    
FOB,PFOB,DIAG,PSTEP=    0.1739807562E-03   -0.1659562829E-03     12.36384997        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3707013701         30.35266030        0.6292986299    
FOB,PFOB,DIAG,PSTEP=    0.1609526828E-02    0.1570686430E-02     10.47754374       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.085116754       -0.8539604056E-01    0.9146039594    
FOB,PFOB,DIAG,PSTEP=   -0.8673181714E-05    0.7990711305E-05     9.574174278       -0.8347275784E-06
J1,K1,R1,R2,RAT= 113 113     199.3173323       -0.6584687294        0.3415312706    
FOB,PFOB,DIAG,PSTEP=   -0.1026717147E-01    0.1019955718E-01     7.591026902       -0.1352704190E-04
J1,K1,R1,R2,RAT= 114 114    0.9975616152        -428.1547778        0.2438384824E-02
FOB,PFOB,DIAG,PSTEP=    0.4060854329        0.4041975474         4.731250369        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001     -0.00000      0.00001      0.00001     -0.00001 
    -0.00001     -0.00003      0.00002     -0.00001     -0.00000     -0.00002 
     0.00000     -0.00001      0.00000      0.00001      0.00000     -0.00003 
    -0.00001      0.00003      0.00003     -0.00003     -0.00005     -0.00000 
     0.00003     -0.00001      0.00001      0.00001     -0.00001     -0.00002 
    -0.00003      0.00003     -0.00001     -0.00000     -0.00004     -0.00002 
    -0.00000     -0.00005     -0.00004      0.00003     -0.00003      0.00001 
     0.00003      0.00002     -0.00007      0.00002      0.00012     -0.00007 
     0.00003      0.00004      0.00004     -0.00000      0.00012     -0.00006 
     0.00008      0.00017      0.00161     -0.00001     -0.01027      0.40609 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384424075
 Log product of positive Hessian eigenvalues =          520.2494014694
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7312503695
 Unscaled step for mode    7=        0.0000000014
 Unscaled step for mode    8=        0.0000000032
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=        0.0000000015
 Unscaled step for mode   14=        0.0000000113
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000062
 Unscaled step for mode   17=       -0.0000000056
 Unscaled step for mode   18=       -0.0000000100
 Unscaled step for mode   19=        0.0000000244
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000164
 Unscaled step for mode   22=       -0.0000000049
 Unscaled step for mode   23=        0.0000000035
 Unscaled step for mode   24=       -0.0000000039
 Unscaled step for mode   25=        0.0000000360
 Unscaled step for mode   26=        0.0000000604
 Unscaled step for mode   27=        0.0000000315
 Unscaled step for mode   28=        0.0000000017
 Unscaled step for mode   29=        0.0000000030
 Unscaled step for mode   30=        0.0000000559
 Unscaled step for mode   31=        0.0000000170
 Unscaled step for mode   32=        0.0000000070
 Unscaled step for mode   33=       -0.0000000242
 Unscaled step for mode   34=       -0.0000000141
 Unscaled step for mode   35=       -0.0000000702
 Unscaled step for mode   36=       -0.0000000234
 Unscaled step for mode   37=        0.0000000372
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000561
 Unscaled step for mode   40=       -0.0000000403
 Unscaled step for mode   41=       -0.0000000599
 Unscaled step for mode   42=        0.0000000217
 Unscaled step for mode   43=       -0.0000000214
 Unscaled step for mode   44=        0.0000000428
 Unscaled step for mode   45=       -0.0000000155
 Unscaled step for mode   46=       -0.0000000530
 Unscaled step for mode   47=        0.0000001060
 Unscaled step for mode   48=       -0.0000000040
 Unscaled step for mode   49=        0.0000000674
 Unscaled step for mode   50=        0.0000000400
 Unscaled step for mode   51=        0.0000000475
 Unscaled step for mode   52=        0.0000000010
 Unscaled step for mode   53=        0.0000000466
 Unscaled step for mode   54=       -0.0000000392
 Unscaled step for mode   55=       -0.0000000934
 Unscaled step for mode   56=       -0.0000000318
 Unscaled step for mode   57=        0.0000000237
 Unscaled step for mode   58=       -0.0000000912
 Unscaled step for mode   59=       -0.0000000439
 Unscaled step for mode   60=        0.0000000983
 Unscaled step for mode   61=        0.0000000864
 Unscaled step for mode   62=        0.0000002011
 Unscaled step for mode   63=       -0.0000001394
 Unscaled step for mode   64=        0.0000000622
 Unscaled step for mode   65=        0.0000000004
 Unscaled step for mode   66=        0.0000001661
 Unscaled step for mode   67=       -0.0000000169
 Unscaled step for mode   68=        0.0000000532
 Unscaled step for mode   69=       -0.0000000151
 Unscaled step for mode   70=       -0.0000001212
 Unscaled step for mode   71=       -0.0000000155
 Unscaled step for mode   72=        0.0000002811
 Unscaled step for mode   73=        0.0000001403
 Unscaled step for mode   74=       -0.0000002737
 Unscaled step for mode   75=       -0.0000002938
 Unscaled step for mode   76=        0.0000002702
 Unscaled step for mode   77=        0.0000005553
 Unscaled step for mode   78=        0.0000000269
 Unscaled step for mode   79=       -0.0000003317
 Unscaled step for mode   80=        0.0000001653
 Unscaled step for mode   81=       -0.0000001744
 Unscaled step for mode   82=       -0.0000001713
 Unscaled step for mode   83=        0.0000001419
 Unscaled step for mode   84=        0.0000002859
 Unscaled step for mode   85=        0.0000004509
 Unscaled step for mode   86=       -0.0000005039
 Unscaled step for mode   87=        0.0000001754
 Unscaled step for mode   88=        0.0000000218
 Unscaled step for mode   89=        0.0000006084
 Unscaled step for mode   90=        0.0000002992
 Unscaled step for mode   91=        0.0000000102
 Unscaled step for mode   92=        0.0000008101
 Unscaled step for mode   93=        0.0000007203
 Unscaled step for mode   94=       -0.0000005306
 Unscaled step for mode   95=        0.0000006783
 Unscaled step for mode   96=       -0.0000002275
 Unscaled step for mode   97=       -0.0000006821
 Unscaled step for mode   98=       -0.0000005556
 Unscaled step for mode   99=        0.0000018986
 Unscaled step for mode  100=       -0.0000005158
 Unscaled step for mode  101=       -0.0000032995
 Unscaled step for mode  102=        0.0000023469
 Unscaled step for mode  103=       -0.0000010057
 Unscaled step for mode  104=       -0.0000014805
 Unscaled step for mode  105=       -0.0000015405
 Unscaled step for mode  106=        0.0000000140
 Unscaled step for mode  107=       -0.0000062370
 Unscaled step for mode  108=        0.0000036125
 Unscaled step for mode  109=       -0.0000054643
 Unscaled step for mode  110=       -0.0000140717
 Unscaled step for mode  111=       -0.0001536168
 Unscaled step for mode  112=        0.0000009059
 Unscaled step for mode  113=        0.0013525380
 Unscaled step for mode  114=        0.0852073141
 Largest modulus ratio of non-zero e/values=           153.2384841    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.380772E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.150270E-15    0.100746E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.635342E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.260719E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.265630E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.661770E-15    0.973666E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.983990E-06    0.725010E+03  0.135721E-08 0.100000E-04    0.984580E+00
   8   -0.216231E-05    0.672040E+03  0.321753E-08 0.100000E-04    0.986325E+00
   9    0.763168E-06    0.625107E+03 -0.122086E-08 0.100000E-04    0.996247E+00
  10    0.157819E-05    0.604370E+03 -0.261130E-08 0.100000E-04    0.995388E+00
  11   -0.108303E-05    0.589400E+03  0.183751E-08 0.100000E-04    0.998983E+00
  12    0.311206E-05    0.566085E+03 -0.549752E-08 0.100000E-04    0.993888E+00
  13   -0.830752E-06    0.564970E+03  0.147044E-08 0.100000E-04    0.911191E+00
  14   -0.541236E-05    0.479776E+03  0.112810E-07 0.100000E-04    0.996799E+00
  15    0.185045E-05    0.468214E+03 -0.395214E-08 0.100000E-04    0.994475E+00
  16    0.284978E-05    0.462414E+03 -0.616284E-08 0.100000E-04    0.994449E+00
  17    0.247571E-05    0.441344E+03 -0.560949E-08 0.100000E-04    0.997909E+00
  18    0.429667E-05    0.430809E+03 -0.997349E-08 0.100000E-04    0.997147E+00
  19   -0.102944E-04    0.421062E+03  0.244488E-07 0.100000E-04    0.996171E+00
  20    0.894653E-05    0.406683E+03 -0.219988E-07 0.100000E-04    0.998983E+00
  21    0.651435E-05    0.398020E+03 -0.163669E-07 0.100000E-04    0.998342E+00
  22    0.191690E-05    0.388717E+03 -0.493136E-08 0.100000E-04    0.984490E+00
  23   -0.129701E-05    0.367177E+03  0.353238E-08 0.100000E-04    0.986715E+00
  24    0.141965E-05    0.363023E+03 -0.391063E-08 0.100000E-04    0.990531E+00
  25   -0.126593E-04    0.351878E+03  0.359763E-07 0.100000E-04    0.995416E+00
  26   -0.205395E-04    0.340036E+03  0.604039E-07 0.100000E-04    0.995214E+00
  27   -0.102222E-04    0.324681E+03  0.314838E-07 0.100000E-04    0.994801E+00
  28   -0.548128E-06    0.321739E+03  0.170364E-08 0.100000E-04    0.869643E+00
  29   -0.957743E-06    0.318732E+03  0.300485E-08 0.100000E-04    0.938559E+00
  30   -0.176745E-04    0.316392E+03  0.558627E-07 0.100000E-04    0.994058E+00
  31   -0.518198E-05    0.305052E+03  0.169872E-07 0.100000E-04    0.988180E+00
  32   -0.201225E-05    0.287641E+03  0.699569E-08 0.100000E-04    0.988809E+00
  33    0.677116E-05    0.279527E+03 -0.242237E-07 0.100000E-04    0.996488E+00
  34    0.383295E-05    0.270994E+03 -0.141441E-07 0.100000E-04    0.995398E+00
  35    0.186791E-04    0.265905E+03 -0.702470E-07 0.100000E-04    0.995532E+00
  36    0.616500E-05    0.262959E+03 -0.234448E-07 0.100000E-04    0.989459E+00
  37   -0.961093E-05    0.258160E+03  0.372285E-07 0.100000E-04    0.993988E+00
  38   -0.374034E-05    0.253576E+03  0.147504E-07 0.100000E-04    0.997434E+00
  39   -0.136242E-04    0.243025E+03  0.560606E-07 0.100000E-04    0.996935E+00
  40    0.961238E-05    0.238309E+03 -0.403357E-07 0.100000E-04    0.994881E+00
  41    0.140931E-04    0.235284E+03 -0.598983E-07 0.100000E-04    0.988844E+00
  42   -0.495715E-05    0.228689E+03  0.216764E-07 0.100000E-04    0.991000E+00
  43    0.477902E-05    0.222949E+03 -0.214355E-07 0.100000E-04    0.987526E+00
  44   -0.911858E-05    0.212815E+03  0.428474E-07 0.100000E-04    0.985556E+00
  45    0.328471E-05    0.211607E+03 -0.155227E-07 0.100000E-04    0.988470E+00
  46    0.110660E-04    0.208732E+03 -0.530152E-07 0.100000E-04    0.991818E+00
  47   -0.215344E-04    0.203174E+03  0.105990E-06 0.100000E-04    0.994649E+00
  48    0.801006E-06    0.198175E+03 -0.404191E-08 0.100000E-04    0.964129E+00
  49   -0.131710E-04    0.195517E+03  0.673649E-07 0.100000E-04    0.992593E+00
  50   -0.765530E-05    0.191609E+03  0.399526E-07 0.100000E-04    0.998425E+00
  51   -0.881624E-05    0.185674E+03  0.474823E-07 0.100000E-04    0.992473E+00
  52   -0.181249E-06    0.176843E+03  0.102491E-08 0.100000E-04    0.892762E+00
  53   -0.796191E-05    0.171034E+03  0.465517E-07 0.100000E-04    0.995760E+00
  54    0.658541E-05    0.167862E+03 -0.392312E-07 0.100000E-04    0.989008E+00
  55    0.154634E-04    0.165616E+03 -0.933693E-07 0.100000E-04    0.995912E+00
  56    0.509488E-05    0.160167E+03 -0.318097E-07 0.100000E-04    0.999672E+00
  57   -0.363435E-05    0.153496E+03  0.236772E-07 0.100000E-04    0.990877E+00
  58    0.137688E-04    0.150965E+03 -0.912053E-07 0.100000E-04    0.994494E+00
  59    0.653790E-05    0.149084E+03 -0.438539E-07 0.100000E-04    0.999563E+00
  60   -0.140496E-04    0.142901E+03  0.983170E-07 0.100000E-04    0.993990E+00
  61   -0.118322E-04    0.136948E+03  0.863994E-07 0.100000E-04    0.995210E+00
  62   -0.271807E-04    0.135177E+03  0.201075E-06 0.100000E-04    0.997750E+00
  63    0.182535E-04    0.130899E+03 -0.139448E-06 0.100000E-04    0.998450E+00
  64   -0.794356E-05    0.127667E+03  0.622210E-07 0.100000E-04    0.988008E+00
  65   -0.549517E-07    0.126005E+03  0.436109E-09 0.100000E-04    0.588951E+00
  66   -0.207967E-04    0.125170E+03  0.166147E-06 0.100000E-04    0.997125E+00
  67    0.202439E-05    0.119499E+03 -0.169407E-07 0.100000E-04    0.980927E+00
  68   -0.627281E-05    0.117959E+03  0.531777E-07 0.100000E-04    0.995730E+00
  69    0.176484E-05    0.116709E+03 -0.151217E-07 0.100000E-04    0.990907E+00
  70    0.135710E-04    0.111957E+03 -0.121216E-06 0.100000E-04    0.991024E+00
  71    0.169217E-05    0.109299E+03 -0.154819E-07 0.100000E-04    0.984752E+00
  72   -0.295753E-04    0.105218E+03  0.281087E-06 0.100000E-04    0.995491E+00
  73   -0.144334E-04    0.102906E+03  0.140258E-06 0.100000E-04    0.992214E+00
  74    0.273994E-04    0.100124E+03 -0.273656E-06 0.100000E-04    0.998814E+00
  75    0.284765E-04    0.969313E+02 -0.293780E-06 0.100000E-04    0.991276E+00
  76   -0.256971E-04    0.951151E+02  0.270169E-06 0.100000E-04    0.995997E+00
  77   -0.507049E-04    0.913045E+02  0.555338E-06 0.100000E-04    0.994972E+00
  78   -0.244303E-05    0.907555E+02  0.269188E-07 0.100000E-04    0.979302E+00
  79    0.295883E-04    0.892052E+02 -0.331688E-06 0.100000E-04    0.995105E+00
  80   -0.139851E-04    0.846235E+02  0.165263E-06 0.100000E-04    0.993688E+00
  81    0.141093E-04    0.808981E+02 -0.174408E-06 0.100000E-04    0.996277E+00
  82    0.136042E-04    0.794176E+02 -0.171299E-06 0.100000E-04    0.993591E+00
  83   -0.111392E-04    0.785125E+02  0.141878E-06 0.100000E-04    0.992613E+00
  84   -0.208088E-04    0.727943E+02  0.285858E-06 0.100000E-04    0.995773E+00
  85   -0.322989E-04    0.716372E+02  0.450867E-06 0.100000E-04    0.997727E+00
  86    0.345500E-04    0.685622E+02 -0.503922E-06 0.100000E-04    0.997738E+00
  87   -0.119062E-04    0.678623E+02  0.175446E-06 0.100000E-04    0.962698E+00
  88   -0.138356E-05    0.633987E+02  0.218232E-07 0.100000E-04    0.969416E+00
  89   -0.374166E-04    0.614998E+02  0.608403E-06 0.100000E-04    0.996526E+00
  90   -0.178475E-04    0.596526E+02  0.299190E-06 0.100000E-04    0.999528E+00
  91   -0.602344E-06    0.588434E+02  0.102364E-07 0.100000E-04    0.990727E+00
  92   -0.452756E-04    0.558890E+02  0.810099E-06 0.100000E-04    0.994903E+00
  93   -0.384250E-04    0.533481E+02  0.720269E-06 0.100000E-04    0.998996E+00
  94    0.277123E-04    0.522288E+02 -0.530593E-06 0.100000E-04    0.996169E+00
  95   -0.340930E-04    0.502611E+02  0.678318E-06 0.100000E-04    0.998230E+00
  96    0.109011E-04    0.479246E+02 -0.227463E-06 0.100000E-04    0.995297E+00
  97    0.294965E-04    0.432435E+02 -0.682101E-06 0.100000E-04    0.998684E+00
  98    0.222569E-04    0.400604E+02 -0.555584E-06 0.100000E-04    0.995011E+00
  99   -0.702833E-04    0.370187E+02  0.189859E-05 0.100000E-04    0.994304E+00
 100    0.185698E-04    0.360053E+02 -0.515751E-06 0.100000E-04    0.983325E+00
 101    0.116931E-03    0.354387E+02 -0.329954E-05 0.100000E-04    0.999291E+00
 102   -0.678922E-04    0.289290E+02  0.234686E-05 0.100000E-04    0.998568E+00
 103    0.289270E-04    0.287618E+02 -0.100575E-05 0.100000E-04    0.985990E+00
 104    0.423830E-04    0.286279E+02 -0.148048E-05 0.100000E-04    0.995220E+00
 105    0.354846E-04    0.230338E+02 -0.154055E-05 0.100000E-04    0.995894E+00
 106   -0.307843E-06    0.219267E+02  0.140397E-07 0.100000E-04    0.517466E+00
 107    0.123319E-03    0.197721E+02 -0.623700E-05 0.100000E-04    0.999195E+00
 108   -0.606762E-04    0.167960E+02  0.361254E-05 0.100000E-04    0.995305E+00
 109    0.752967E-04    0.137798E+02 -0.546430E-05 0.100000E-04    0.998833E+00
 110    0.173981E-03    0.123638E+02 -0.100000E-04 0.100000E-04    0.935097E+00
 111    0.160953E-02    0.104775E+02 -0.100000E-04 0.100000E-04    0.629299E+00
 112   -0.867318E-05    0.957417E+01  0.905893E-06 0.100000E-04    0.914604E+00
 113   -0.102672E-01    0.759103E+01  0.121865E-04 0.121865E-04    0.341531E+00
 114    0.406085E+00    0.473125E+01  0.400000E-03 0.400000E-03    0.243838E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8520731411E-01

 Beginning of optimization cycle  193.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3856435832
 potential> RMS force:                                               0.0382227260   |gradient|=.4081070362    
 Eigenvalues of the Hessian matrix:
   725.07001    672.05326    625.12281    604.37563    589.39416    566.11271 
   564.99919    479.79619    468.19073    462.40458    441.34341    430.79974 
   421.06873    406.69368    398.01614    388.71947    367.18061    363.01302 
   351.87006    340.00016    324.68730    321.73406    318.74564    316.36712 
   305.04736    287.64550    279.52175    270.98890    265.90924    262.96863 
   258.16794    253.57850    243.01735    238.29656    235.29479    228.68963 
   222.92911    212.81946    211.61179    208.71957    203.17750    198.17110 
   195.51752    191.60936    185.66486    176.82948    171.03900    167.85775 
   165.61409    160.16093    153.49640    150.96432    149.08656    142.90385 
   136.94829    135.18271    130.89713    127.66746    126.00674    125.17554 
   119.50037    117.95995    116.71210    111.94982    109.28849    105.21392 
   102.90708    100.11990     96.92574     95.11557     91.31402     90.74998 
    89.21521     84.62562     80.89840     79.42099     78.51044     72.79253 
    71.64081     68.55431     67.86129     63.39818     61.49018     59.65269 
    58.84587     55.89018     53.34404     52.22863     50.26005     47.92318 
    43.23955     40.06279     37.01794     35.99883     35.44571     28.92720 
    28.76067     28.62090     23.03071     21.92577     19.77577     16.79685 
    13.77937     12.36231     10.46533      9.57549      7.59015      4.72909 
overlap for current and previous eigenvector    109 is         0.9999988447
overlap for current and previous eigenvector    110 is         0.9999986002
overlap for current and previous eigenvector    111 is         0.9999917483
overlap for current and previous eigenvector    112 is        -0.9999941713
overlap for current and previous eigenvector    113 is        -0.9999984042
overlap for current and previous eigenvector    114 is        -0.9999995738
J1,K1,R1,R2,RAT=   7   7   -0.1858132012E-01     2.018414785        0.9814186799    
FOB,PFOB,DIAG,PSTEP=   -0.1002275442E-05   -0.9839900843E-06     725.0700097        0.1357209666E-08
J1,K1,R1,R2,RAT=   8   8   -0.1201729747E-02     2.001161495        0.9987982703    
FOB,PFOB,DIAG,PSTEP=   -0.2164904196E-05   -0.2162305637E-05     672.0532598        0.3217526448E-08
J1,K1,R1,R2,RAT=   9   9    0.9268878680E-02     1.990681010        0.9906810101    
FOB,PFOB,DIAG,PSTEP=    0.7560937381E-06    0.7631676235E-06     625.1228144       -0.1220858890E-08
J1,K1,R1,R2,RAT=  10  10   -0.8507020432E-02     2.008488308        0.9914929796    
FOB,PFOB,DIAG,PSTEP=    0.1591614763E-05    0.1578188952E-05     604.3756327       -0.2611296075E-08
J1,K1,R1,R2,RAT=  11  11   -0.3933105255E-02     2.003953259        0.9960668947    
FOB,PFOB,DIAG,PSTEP=   -0.1087289068E-05   -0.1083029442E-05     589.3941556        0.1837511483E-08
J1,K1,R1,R2,RAT= 109 109   -0.7901191427E-04     2.000135036        0.9999209881    
FOB,PFOB,DIAG,PSTEP=    0.7530262441E-04    0.7529667524E-04     13.77936606       -0.5464298269E-05
J1,K1,R1,R2,RAT= 110 110   -0.7530756627E-01     2.890004361        0.9246924337    
FOB,PFOB,DIAG,PSTEP=    0.1832905102E-03    0.1739807562E-03     12.36230890       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3673618877         31.12659145        0.6326381123    
FOB,PFOB,DIAG,PSTEP=    0.1647972448E-02    0.1609526828E-02     10.46532603       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     1.988119840        0.1160626172E-01    0.9881198404    
FOB,PFOB,DIAG,PSTEP=    0.8572504710E-05   -0.8673181714E-05     9.575485631        0.9058934444E-06
J1,K1,R1,R2,RAT= 113 113     222.8363793       -0.8377270018        0.1622729982    
FOB,PFOB,DIAG,PSTEP=    0.1034465921E-01   -0.1026717147E-01     7.590154506        0.1218652423E-04
J1,K1,R1,R2,RAT= 114 114    -430.3458431        0.9975541573        0.2445842733E-02
FOB,PFOB,DIAG,PSTEP=   -0.4079724427        0.4060854329         4.729091082        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00000 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00000     -0.00001     -0.00001     -0.00001 
     0.00001      0.00003     -0.00002      0.00001      0.00000      0.00002 
     0.00000     -0.00001      0.00000     -0.00001      0.00000     -0.00003 
    -0.00001      0.00003     -0.00003      0.00003     -0.00005     -0.00000 
     0.00003     -0.00001      0.00001      0.00001     -0.00001     -0.00002 
    -0.00003      0.00003     -0.00001     -0.00000     -0.00004     -0.00002 
    -0.00000     -0.00005      0.00004     -0.00003      0.00003      0.00001 
     0.00003     -0.00002     -0.00007      0.00002      0.00012      0.00007 
     0.00003     -0.00004      0.00004     -0.00000     -0.00012      0.00006 
     0.00008      0.00018      0.00165      0.00001      0.01034     -0.40797 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4384176445
 Log product of positive Hessian eigenvalues =          520.2468799697
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7290910824
 Unscaled step for mode    7=        0.0000000014
 Unscaled step for mode    8=        0.0000000032
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000055
 Unscaled step for mode   13=        0.0000000015
 Unscaled step for mode   14=        0.0000000113
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000062
 Unscaled step for mode   17=       -0.0000000057
 Unscaled step for mode   18=       -0.0000000100
 Unscaled step for mode   19=        0.0000000246
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000164
 Unscaled step for mode   22=       -0.0000000050
 Unscaled step for mode   23=        0.0000000035
 Unscaled step for mode   24=       -0.0000000039
 Unscaled step for mode   25=        0.0000000361
 Unscaled step for mode   26=        0.0000000607
 Unscaled step for mode   27=        0.0000000316
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000027
 Unscaled step for mode   30=        0.0000000561
 Unscaled step for mode   31=        0.0000000171
 Unscaled step for mode   32=        0.0000000071
 Unscaled step for mode   33=       -0.0000000244
 Unscaled step for mode   34=       -0.0000000143
 Unscaled step for mode   35=       -0.0000000704
 Unscaled step for mode   36=       -0.0000000237
 Unscaled step for mode   37=        0.0000000374
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000563
 Unscaled step for mode   40=       -0.0000000405
 Unscaled step for mode   41=       -0.0000000605
 Unscaled step for mode   42=        0.0000000218
 Unscaled step for mode   43=       -0.0000000216
 Unscaled step for mode   44=        0.0000000431
 Unscaled step for mode   45=       -0.0000000156
 Unscaled step for mode   46=       -0.0000000533
 Unscaled step for mode   47=        0.0000001063
 Unscaled step for mode   48=       -0.0000000042
 Unscaled step for mode   49=        0.0000000677
 Unscaled step for mode   50=        0.0000000403
 Unscaled step for mode   51=        0.0000000477
 Unscaled step for mode   52=        0.0000000011
 Unscaled step for mode   53=        0.0000000467
 Unscaled step for mode   54=        0.0000000395
 Unscaled step for mode   55=       -0.0000000936
 Unscaled step for mode   56=       -0.0000000320
 Unscaled step for mode   57=       -0.0000000239
 Unscaled step for mode   58=        0.0000000918
 Unscaled step for mode   59=        0.0000000436
 Unscaled step for mode   60=        0.0000000986
 Unscaled step for mode   61=       -0.0000000872
 Unscaled step for mode   62=       -0.0000002018
 Unscaled step for mode   63=        0.0000001402
 Unscaled step for mode   64=       -0.0000000629
 Unscaled step for mode   65=       -0.0000000003
 Unscaled step for mode   66=       -0.0000001670
 Unscaled step for mode   67=       -0.0000000169
 Unscaled step for mode   68=        0.0000000535
 Unscaled step for mode   69=       -0.0000000155
 Unscaled step for mode   70=        0.0000001217
 Unscaled step for mode   71=       -0.0000000157
 Unscaled step for mode   72=        0.0000002832
 Unscaled step for mode   73=        0.0000001412
 Unscaled step for mode   74=       -0.0000002746
 Unscaled step for mode   75=        0.0000002960
 Unscaled step for mode   76=       -0.0000002710
 Unscaled step for mode   77=        0.0000005574
 Unscaled step for mode   78=        0.0000000267
 Unscaled step for mode   79=       -0.0000003309
 Unscaled step for mode   80=        0.0000001660
 Unscaled step for mode   81=       -0.0000001752
 Unscaled step for mode   82=       -0.0000001709
 Unscaled step for mode   83=        0.0000001420
 Unscaled step for mode   84=        0.0000002882
 Unscaled step for mode   85=        0.0000004536
 Unscaled step for mode   86=       -0.0000005033
 Unscaled step for mode   87=        0.0000001814
 Unscaled step for mode   88=        0.0000000222
 Unscaled step for mode   89=        0.0000006116
 Unscaled step for mode   90=        0.0000003018
 Unscaled step for mode   91=        0.0000000105
 Unscaled step for mode   92=        0.0000008131
 Unscaled step for mode   93=       -0.0000007219
 Unscaled step for mode   94=        0.0000005345
 Unscaled step for mode   95=       -0.0000006790
 Unscaled step for mode   96=       -0.0000002269
 Unscaled step for mode   97=       -0.0000006867
 Unscaled step for mode   98=        0.0000005588
 Unscaled step for mode   99=        0.0000019187
 Unscaled step for mode  100=       -0.0000005046
 Unscaled step for mode  101=       -0.0000033039
 Unscaled step for mode  102=       -0.0000023588
 Unscaled step for mode  103=       -0.0000010208
 Unscaled step for mode  104=        0.0000014868
 Unscaled step for mode  105=       -0.0000015497
 Unscaled step for mode  106=        0.0000000319
 Unscaled step for mode  107=        0.0000062516
 Unscaled step for mode  108=       -0.0000035746
 Unscaled step for mode  109=       -0.0000054649
 Unscaled step for mode  110=       -0.0000148266
 Unscaled step for mode  111=       -0.0001574698
 Unscaled step for mode  112=       -0.0000008953
 Unscaled step for mode  113=       -0.0013629024
 Unscaled step for mode  114=       -0.0856360256
 Largest modulus ratio of non-zero e/values=           153.3212190    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.319406E-15    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.244596E-15    0.100746E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.219009E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.505950E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.195547E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.102023E-15    0.973668E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.100228E-05    0.725070E+03  0.138232E-08 0.100000E-04    0.981419E+00
   8   -0.216490E-05    0.672053E+03  0.322133E-08 0.100000E-04    0.998798E+00
   9    0.756094E-06    0.625123E+03 -0.120951E-08 0.100000E-04    0.990681E+00
  10    0.159161E-05    0.604376E+03 -0.263349E-08 0.100000E-04    0.991493E+00
  11   -0.108729E-05    0.589394E+03  0.184476E-08 0.100000E-04    0.996067E+00
  12    0.309468E-05    0.566113E+03 -0.546654E-08 0.100000E-04    0.994316E+00
  13   -0.868590E-06    0.564999E+03  0.153733E-08 0.100000E-04    0.954455E+00
  14   -0.540770E-05    0.479796E+03  0.112708E-07 0.100000E-04    0.999054E+00
  15    0.184023E-05    0.468191E+03 -0.393051E-08 0.100000E-04    0.994479E+00
  16    0.287800E-05    0.462405E+03 -0.622398E-08 0.100000E-04    0.990100E+00
  17    0.250537E-05    0.441343E+03 -0.567669E-08 0.100000E-04    0.988021E+00
  18    0.430317E-05    0.430800E+03 -0.998880E-08 0.100000E-04    0.998486E+00
  19   -0.103464E-04    0.421069E+03  0.245717E-07 0.100000E-04    0.994954E+00
  20    0.896245E-05    0.406694E+03 -0.220373E-07 0.100000E-04    0.998221E+00
  21    0.653849E-05    0.398016E+03 -0.164277E-07 0.100000E-04    0.996294E+00
  22    0.195245E-05    0.388719E+03 -0.502279E-08 0.100000E-04    0.981455E+00
  23   -0.129380E-05    0.367181E+03  0.352360E-08 0.100000E-04    0.997503E+00
  24    0.140623E-05    0.363013E+03 -0.387377E-08 0.100000E-04    0.990549E+00
  25   -0.127145E-04    0.351870E+03  0.361341E-07 0.100000E-04    0.995637E+00
  26   -0.206471E-04    0.340000E+03  0.607267E-07 0.100000E-04    0.994761E+00
  27   -0.102656E-04    0.324687E+03  0.316168E-07 0.100000E-04    0.995754E+00
  28   -0.457233E-06    0.321734E+03  0.142115E-08 0.100000E-04    0.834170E+00
  29   -0.870388E-06    0.318746E+03  0.273067E-08 0.100000E-04    0.908708E+00
  30   -0.177462E-04    0.316367E+03  0.560937E-07 0.100000E-04    0.995944E+00
  31   -0.521524E-05    0.305047E+03  0.170965E-07 0.100000E-04    0.993581E+00
  32   -0.204170E-05    0.287645E+03  0.709797E-08 0.100000E-04    0.985363E+00
  33    0.681679E-05    0.279522E+03 -0.243873E-07 0.100000E-04    0.993262E+00
  34    0.387549E-05    0.270989E+03 -0.143013E-07 0.100000E-04    0.988902E+00
  35    0.187278E-04    0.265909E+03 -0.704292E-07 0.100000E-04    0.997392E+00
  36    0.623100E-05    0.262969E+03 -0.236949E-07 0.100000E-04    0.989295E+00
  37   -0.966736E-05    0.258168E+03  0.374460E-07 0.100000E-04    0.994129E+00
  38   -0.373490E-05    0.253578E+03  0.147288E-07 0.100000E-04    0.998524E+00
  39   -0.136807E-04    0.243017E+03  0.562953E-07 0.100000E-04    0.995847E+00
  40    0.963912E-05    0.238297E+03 -0.404501E-07 0.100000E-04    0.997218E+00
  41    0.142416E-04    0.235295E+03 -0.605264E-07 0.100000E-04    0.989467E+00
  42   -0.498545E-05    0.228690E+03  0.218001E-07 0.100000E-04    0.994292E+00
  43    0.481273E-05    0.222929E+03 -0.215886E-07 0.100000E-04    0.992944E+00
  44   -0.917647E-05    0.212819E+03  0.431185E-07 0.100000E-04    0.993652E+00
  45    0.329205E-05    0.211612E+03 -0.155570E-07 0.100000E-04    0.997766E+00
  46    0.111240E-04    0.208720E+03 -0.532966E-07 0.100000E-04    0.994754E+00
  47   -0.216066E-04    0.203177E+03  0.106344E-06 0.100000E-04    0.996644E+00
  48    0.823823E-06    0.198171E+03 -0.415713E-08 0.100000E-04    0.971514E+00
  49   -0.132299E-04    0.195518E+03  0.676663E-07 0.100000E-04    0.995524E+00
  50   -0.772129E-05    0.191609E+03  0.402970E-07 0.100000E-04    0.991380E+00
  51   -0.884843E-05    0.185665E+03  0.476581E-07 0.100000E-04    0.996348E+00
  52   -0.186192E-06    0.176829E+03  0.105295E-08 0.100000E-04    0.972725E+00
  53   -0.799051E-05    0.171039E+03  0.467175E-07 0.100000E-04    0.996408E+00
  54   -0.662992E-05    0.167858E+03  0.394973E-07 0.100000E-04    0.993241E+00
  55    0.155088E-04    0.165614E+03 -0.936442E-07 0.100000E-04    0.997067E+00
  56    0.512049E-05    0.160161E+03 -0.319709E-07 0.100000E-04    0.994974E+00
  57    0.366612E-05    0.153496E+03 -0.238841E-07 0.100000E-04    0.991260E+00
  58   -0.138576E-04    0.150964E+03  0.917938E-07 0.100000E-04    0.993551E+00
  59   -0.650129E-05    0.149087E+03  0.436075E-07 0.100000E-04    0.994360E+00
  60   -0.140877E-04    0.142904E+03  0.985818E-07 0.100000E-04    0.997285E+00
  61    0.119360E-04    0.136948E+03 -0.871571E-07 0.100000E-04    0.991227E+00
  62    0.272752E-04    0.135183E+03 -0.201765E-06 0.100000E-04    0.996525E+00
  63   -0.183522E-04    0.130897E+03  0.140203E-06 0.100000E-04    0.994593E+00
  64    0.802707E-05    0.127667E+03 -0.628748E-07 0.100000E-04    0.989488E+00
  65    0.403139E-07    0.126007E+03 -0.319934E-09 0.100000E-04    0.733595E+00
  66    0.209018E-04    0.125176E+03 -0.166980E-06 0.100000E-04    0.994944E+00
  67    0.201789E-05    0.119500E+03 -0.168860E-07 0.100000E-04    0.996763E+00
  68   -0.630992E-05    0.117960E+03  0.534921E-07 0.100000E-04    0.994084E+00
  69    0.180578E-05    0.116712E+03 -0.154721E-07 0.100000E-04    0.976802E+00
  70   -0.136280E-04    0.111950E+03  0.121733E-06 0.100000E-04    0.995802E+00
  71    0.171972E-05    0.109288E+03 -0.157356E-07 0.100000E-04    0.983715E+00
  72   -0.297917E-04    0.105214E+03  0.283154E-06 0.100000E-04    0.992682E+00
  73   -0.145337E-04    0.102907E+03  0.141231E-06 0.100000E-04    0.993051E+00
  74    0.274972E-04    0.100120E+03 -0.274642E-06 0.100000E-04    0.996433E+00
  75   -0.286907E-04    0.969257E+02  0.296007E-06 0.100000E-04    0.992475E+00
  76    0.257796E-04    0.951156E+02 -0.271034E-06 0.100000E-04    0.996791E+00
  77   -0.508945E-04    0.913140E+02  0.557357E-06 0.100000E-04    0.996261E+00
  78   -0.242367E-05    0.907500E+02  0.267071E-07 0.100000E-04    0.992077E+00
  79    0.295254E-04    0.892152E+02 -0.330945E-06 0.100000E-04    0.997649E+00
  80   -0.140520E-04    0.846256E+02  0.166049E-06 0.100000E-04    0.995221E+00
  81    0.141768E-04    0.808984E+02 -0.175242E-06 0.100000E-04    0.995212E+00
  82    0.135747E-04    0.794210E+02 -0.170921E-06 0.100000E-04    0.997749E+00
  83   -0.111447E-04    0.785104E+02  0.141952E-06 0.100000E-04    0.999503E+00
  84   -0.209808E-04    0.727925E+02  0.288228E-06 0.100000E-04    0.991734E+00
  85   -0.324940E-04    0.716408E+02  0.453569E-06 0.100000E-04    0.993957E+00
  86    0.345015E-04    0.685543E+02 -0.503273E-06 0.100000E-04    0.998597E+00
  87   -0.123123E-04    0.678613E+02  0.181433E-06 0.100000E-04    0.965891E+00
  88   -0.140934E-05    0.633982E+02  0.222300E-07 0.100000E-04    0.981366E+00
  89   -0.376057E-04    0.614902E+02  0.611572E-06 0.100000E-04    0.994946E+00
  90   -0.180007E-04    0.596527E+02  0.301759E-06 0.100000E-04    0.991413E+00
  91   -0.619060E-06    0.588459E+02  0.105200E-07 0.100000E-04    0.972251E+00
  92   -0.454424E-04    0.558902E+02  0.813067E-06 0.100000E-04    0.996315E+00
  93    0.385113E-04    0.533440E+02 -0.721942E-06 0.100000E-04    0.997754E+00
  94   -0.279175E-04    0.522286E+02  0.534524E-06 0.100000E-04    0.992596E+00
  95    0.341284E-04    0.502601E+02 -0.679036E-06 0.100000E-04    0.998962E+00
  96    0.108720E-04    0.479232E+02 -0.226863E-06 0.100000E-04    0.997333E+00
  97    0.296933E-04    0.432396E+02 -0.686716E-06 0.100000E-04    0.993328E+00
  98   -0.223881E-04    0.400628E+02  0.558826E-06 0.100000E-04    0.994104E+00
  99   -0.710280E-04    0.370179E+02  0.191874E-05 0.100000E-04    0.989405E+00
 100    0.181644E-04    0.359988E+02 -0.504583E-06 0.100000E-04    0.978165E+00
 101    0.117109E-03    0.354457E+02 -0.330390E-05 0.100000E-04    0.998479E+00
 102    0.682341E-04    0.289272E+02 -0.235882E-05 0.100000E-04    0.994965E+00
 103    0.293589E-04    0.287607E+02 -0.102080E-05 0.100000E-04    0.985071E+00
 104   -0.425534E-04    0.286209E+02  0.148679E-05 0.100000E-04    0.995981E+00
 105    0.356914E-04    0.230307E+02 -0.154973E-05 0.100000E-04    0.994170E+00
 106   -0.700141E-06    0.219258E+02  0.319323E-07 0.100000E-04    0.274397E+00
 107   -0.123631E-03    0.197758E+02  0.625164E-05 0.100000E-04    0.997469E+00
 108    0.600412E-04    0.167969E+02 -0.357455E-05 0.100000E-04    0.989435E+00
 109    0.753026E-04    0.137794E+02 -0.546488E-05 0.100000E-04    0.999921E+00
 110    0.183291E-03    0.123623E+02 -0.100000E-04 0.100000E-04    0.924692E+00
 111    0.164797E-02    0.104653E+02 -0.100000E-04 0.100000E-04    0.632638E+00
 112    0.857250E-05    0.957549E+01 -0.895255E-06 0.100000E-04    0.988120E+00
 113    0.103447E-01    0.759015E+01 -0.132833E-04 0.132833E-04    0.162273E+00
 114   -0.407972E+00    0.472909E+01 -0.400000E-03 0.400000E-03    0.244584E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8563602560E-01

 Beginning of optimization cycle  194.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3854801712
 potential> RMS force:                                               0.0383994982   |gradient|=.4099944468    
 Eigenvalues of the Hessian matrix:
   725.13036    672.06665    625.13839    604.38129    589.38807    566.14078 
   565.02846    479.81641    468.16781    462.39514    441.34255    430.79067 
   421.07593    406.70435    398.01206    388.72214    367.18424    363.00318 
   351.86221    339.96478    324.69404    321.72936    318.75952    316.34164 
   305.04255    287.65043    279.51655    270.98423    265.91321    262.97875 
   258.17559    253.58109    243.00945    238.28390    235.30543    228.69067 
   222.90959    212.82405    211.61656    208.70677    203.18083    198.16720 
   195.51776    191.60922    185.65529    176.81553    171.04419    167.85398 
   165.61215    160.15452    153.49701    150.96377    149.08935    142.90694 
   136.94872    135.18817    130.89557    127.66812    126.00875    125.18104 
   119.50172    117.96046    116.71500    111.94250    109.27758    105.21029 
   102.90852    100.11622     96.92008     95.11605     91.32365     90.74446 
    89.22516     84.62777     80.89869     79.42438     78.50842     72.79078 
    71.64437     68.54651     67.86015     63.39767     61.48053     59.65278 
    58.84836     55.89138     53.33991     52.22843     50.25899     47.92168 
    43.23558     40.06519     37.01723     35.99216     35.45269     28.92543 
    28.75966     28.61370     23.02773     21.92486     19.77939     16.79767 
    13.77899     12.36079     10.45312      9.57678      7.58925      4.72690 
overlap for current and previous eigenvector    109 is         0.9999988563
overlap for current and previous eigenvector    110 is         0.9999986253
overlap for current and previous eigenvector    111 is         0.9999914357
overlap for current and previous eigenvector    112 is         0.9999938205
overlap for current and previous eigenvector    113 is         0.9999983821
overlap for current and previous eigenvector    114 is         0.9999995756
J1,K1,R1,R2,RAT=   7   7   -0.1519675167E-01     2.015030311        0.9848032483    
FOB,PFOB,DIAG,PSTEP=   -0.1017508040E-05   -0.1002275442E-05     725.1303551        0.1382315402E-08
J1,K1,R1,R2,RAT=   8   8   -0.1349819330E-01     2.013458352        0.9865018067    
FOB,PFOB,DIAG,PSTEP=   -0.2194127074E-05   -0.2164904196E-05     672.0666477        0.3221328317E-08
J1,K1,R1,R2,RAT=   9   9   -0.3355689613E-02     2.003305856        0.9966443104    
FOB,PFOB,DIAG,PSTEP=    0.7586310173E-06    0.7560937381E-06     625.1383909       -0.1209512308E-08
J1,K1,R1,R2,RAT=  10  10    0.4912477376E-02     1.995068812        0.9950688117    
FOB,PFOB,DIAG,PSTEP=    0.1583795918E-05    0.1591614763E-05     604.3812870       -0.2633485992E-08
J1,K1,R1,R2,RAT=  11  11    0.6363978368E-03     1.999384239        0.9993636022    
FOB,PFOB,DIAG,PSTEP=   -0.1086597127E-05   -0.1087289068E-05     589.3880739        0.1844757125E-08
J1,K1,R1,R2,RAT= 109 109   -0.9670143067E-03     2.001022013        0.9990329857    
FOB,PFOB,DIAG,PSTEP=    0.7537544113E-04    0.7530262441E-04     13.77898715       -0.5464883079E-05
J1,K1,R1,R2,RAT= 110 110   -0.7788206401E-01     3.043558830        0.9221179360    
FOB,PFOB,DIAG,PSTEP=    0.1929173471E-03    0.1832905102E-03     12.36078809       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3786958382         31.90942969        0.6213041618    
FOB,PFOB,DIAG,PSTEP=    0.1687557972E-02    0.1647972448E-02     10.45311825       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9005356124E-01     2.089782907        0.9099464388    
FOB,PFOB,DIAG,PSTEP=    0.9344593772E-05    0.8572504710E-05     9.576781630       -0.8952553469E-06
J1,K1,R1,R2,RAT= 113 113   -0.6863492288         205.9165201        0.3136507712    
FOB,PFOB,DIAG,PSTEP=    0.1041385029E-01    0.1034465921E-01     7.589245865       -0.1328331141E-04
J1,K1,R1,R2,RAT= 114 114    0.9975412204        -432.5405892        0.2458779576E-02
FOB,PFOB,DIAG,PSTEP=   -0.4098585550       -0.4079724427         4.726903198       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00001 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00000     -0.00001     -0.00001     -0.00001 
    -0.00001     -0.00003      0.00002     -0.00001     -0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00001      0.00000      0.00003 
    -0.00001      0.00003     -0.00003      0.00003     -0.00005     -0.00000 
     0.00003      0.00001      0.00001     -0.00001      0.00001     -0.00002 
    -0.00003      0.00003     -0.00001     -0.00000     -0.00004      0.00002 
     0.00000     -0.00005      0.00004     -0.00003      0.00003      0.00001 
    -0.00003      0.00002      0.00007     -0.00002      0.00012      0.00007 
     0.00003     -0.00004      0.00004     -0.00000     -0.00012      0.00006 
     0.00008      0.00019      0.00169      0.00001      0.01041     -0.40986 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4383944707
 Log product of positive Hessian eigenvalues =          520.2443391272
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7269031978
 Unscaled step for mode    7=        0.0000000014
 Unscaled step for mode    8=        0.0000000033
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=        0.0000000017
 Unscaled step for mode   14=        0.0000000112
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000063
 Unscaled step for mode   17=       -0.0000000057
 Unscaled step for mode   18=       -0.0000000100
 Unscaled step for mode   19=        0.0000000247
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000165
 Unscaled step for mode   22=       -0.0000000051
 Unscaled step for mode   23=        0.0000000035
 Unscaled step for mode   24=       -0.0000000038
 Unscaled step for mode   25=        0.0000000363
 Unscaled step for mode   26=        0.0000000610
 Unscaled step for mode   27=        0.0000000318
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000025
 Unscaled step for mode   30=        0.0000000564
 Unscaled step for mode   31=        0.0000000173
 Unscaled step for mode   32=        0.0000000072
 Unscaled step for mode   33=       -0.0000000245
 Unscaled step for mode   34=       -0.0000000144
 Unscaled step for mode   35=       -0.0000000707
 Unscaled step for mode   36=       -0.0000000239
 Unscaled step for mode   37=        0.0000000377
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000565
 Unscaled step for mode   40=       -0.0000000406
 Unscaled step for mode   41=       -0.0000000612
 Unscaled step for mode   42=        0.0000000220
 Unscaled step for mode   43=       -0.0000000219
 Unscaled step for mode   44=        0.0000000437
 Unscaled step for mode   45=       -0.0000000154
 Unscaled step for mode   46=       -0.0000000537
 Unscaled step for mode   47=        0.0000001069
 Unscaled step for mode   48=       -0.0000000043
 Unscaled step for mode   49=        0.0000000682
 Unscaled step for mode   50=        0.0000000402
 Unscaled step for mode   51=        0.0000000480
 Unscaled step for mode   52=        0.0000000012
 Unscaled step for mode   53=        0.0000000469
 Unscaled step for mode   54=        0.0000000399
 Unscaled step for mode   55=       -0.0000000940
 Unscaled step for mode   56=       -0.0000000320
 Unscaled step for mode   57=       -0.0000000241
 Unscaled step for mode   58=        0.0000000923
 Unscaled step for mode   59=        0.0000000436
 Unscaled step for mode   60=        0.0000000992
 Unscaled step for mode   61=        0.0000000876
 Unscaled step for mode   62=        0.0000002022
 Unscaled step for mode   63=       -0.0000001404
 Unscaled step for mode   64=        0.0000000636
 Unscaled step for mode   65=        0.0000000004
 Unscaled step for mode   66=        0.0000001674
 Unscaled step for mode   67=       -0.0000000172
 Unscaled step for mode   68=        0.0000000537
 Unscaled step for mode   69=       -0.0000000156
 Unscaled step for mode   70=        0.0000001228
 Unscaled step for mode   71=       -0.0000000160
 Unscaled step for mode   72=       -0.0000002845
 Unscaled step for mode   73=        0.0000001423
 Unscaled step for mode   74=       -0.0000002749
 Unscaled step for mode   75=        0.0000002986
 Unscaled step for mode   76=       -0.0000002721
 Unscaled step for mode   77=        0.0000005600
 Unscaled step for mode   78=        0.0000000262
 Unscaled step for mode   79=       -0.0000003293
 Unscaled step for mode   80=       -0.0000001671
 Unscaled step for mode   81=       -0.0000001759
 Unscaled step for mode   82=        0.0000001698
 Unscaled step for mode   83=       -0.0000001430
 Unscaled step for mode   84=        0.0000002894
 Unscaled step for mode   85=        0.0000004546
 Unscaled step for mode   86=       -0.0000005020
 Unscaled step for mode   87=        0.0000001880
 Unscaled step for mode   88=        0.0000000216
 Unscaled step for mode   89=        0.0000006139
 Unscaled step for mode   90=       -0.0000003019
 Unscaled step for mode   91=       -0.0000000106
 Unscaled step for mode   92=        0.0000008171
 Unscaled step for mode   93=       -0.0000007212
 Unscaled step for mode   94=        0.0000005365
 Unscaled step for mode   95=       -0.0000006777
 Unscaled step for mode   96=       -0.0000002279
 Unscaled step for mode   97=        0.0000006878
 Unscaled step for mode   98=       -0.0000005615
 Unscaled step for mode   99=       -0.0000019296
 Unscaled step for mode  100=        0.0000004955
 Unscaled step for mode  101=       -0.0000033054
 Unscaled step for mode  102=       -0.0000023627
 Unscaled step for mode  103=       -0.0000010307
 Unscaled step for mode  104=        0.0000014820
 Unscaled step for mode  105=       -0.0000015571
 Unscaled step for mode  106=        0.0000000191
 Unscaled step for mode  107=        0.0000062555
 Unscaled step for mode  108=       -0.0000035569
 Unscaled step for mode  109=       -0.0000054703
 Unscaled step for mode  110=       -0.0000156072
 Unscaled step for mode  111=       -0.0001614406
 Unscaled step for mode  112=       -0.0000009758
 Unscaled step for mode  113=       -0.0013721825
 Unscaled step for mode  114=       -0.0860653613
 Largest modulus ratio of non-zero e/values=           153.4049514    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.468375E-16    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.429344E-15    0.100746E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.728584E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.175207E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.189207E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.111402E-16    0.973670E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.101751E-05    0.725130E+03  0.140321E-08 0.100000E-04    0.984803E+00
   8   -0.219413E-05    0.672067E+03  0.326475E-08 0.100000E-04    0.986502E+00
   9    0.758631E-06    0.625138E+03 -0.121354E-08 0.100000E-04    0.996644E+00
  10    0.158380E-05    0.604381E+03 -0.262052E-08 0.100000E-04    0.995069E+00
  11   -0.108660E-05    0.589388E+03  0.184360E-08 0.100000E-04    0.999364E+00
  12    0.307303E-05    0.566141E+03 -0.542804E-08 0.100000E-04    0.992907E+00
  13   -0.937056E-06    0.565028E+03  0.165842E-08 0.100000E-04    0.921180E+00
  14   -0.538984E-05    0.479816E+03  0.112331E-07 0.100000E-04    0.996614E+00
  15    0.184991E-05    0.468168E+03 -0.395139E-08 0.100000E-04    0.994737E+00
  16    0.289363E-05    0.462395E+03 -0.625792E-08 0.100000E-04    0.994567E+00
  17    0.251050E-05    0.441343E+03 -0.568833E-08 0.100000E-04    0.997952E+00
  18    0.431582E-05    0.430791E+03 -0.100184E-07 0.100000E-04    0.997060E+00
  19   -0.103852E-04    0.421076E+03  0.246635E-07 0.100000E-04    0.996246E+00
  20    0.895452E-05    0.406704E+03 -0.220173E-07 0.100000E-04    0.999063E+00
  21    0.654930E-05    0.398012E+03 -0.164550E-07 0.100000E-04    0.998348E+00
  22    0.198167E-05    0.388722E+03 -0.509790E-08 0.100000E-04    0.985038E+00
  23   -0.127610E-05    0.367184E+03  0.347538E-08 0.100000E-04    0.986305E+00
  24    0.139348E-05    0.363003E+03 -0.383876E-08 0.100000E-04    0.990934E+00
  25   -0.127712E-04    0.351862E+03  0.362959E-07 0.100000E-04    0.995542E+00
  26   -0.207454E-04    0.339965E+03  0.610221E-07 0.100000E-04    0.995240E+00
  27   -0.103199E-04    0.324694E+03  0.317836E-07 0.100000E-04    0.994705E+00
  28   -0.372809E-06    0.321729E+03  0.115877E-08 0.100000E-04    0.815357E+00
  29   -0.810492E-06    0.318760E+03  0.254265E-08 0.100000E-04    0.931101E+00
  30   -0.178480E-04    0.316342E+03  0.564202E-07 0.100000E-04    0.994261E+00
  31   -0.527701E-05    0.305043E+03  0.172992E-07 0.100000E-04    0.988156E+00
  32   -0.206299E-05    0.287650E+03  0.717187E-08 0.100000E-04    0.989571E+00
  33    0.683993E-05    0.279517E+03 -0.244706E-07 0.100000E-04    0.996606E+00
  34    0.389496E-05    0.270984E+03 -0.143734E-07 0.100000E-04    0.994976E+00
  35    0.188083E-04    0.265913E+03 -0.707311E-07 0.100000E-04    0.995699E+00
  36    0.629580E-05    0.262979E+03 -0.239403E-07 0.100000E-04    0.989602E+00
  37   -0.972456E-05    0.258176E+03  0.376664E-07 0.100000E-04    0.994084E+00
  38   -0.374329E-05    0.253581E+03  0.147617E-07 0.100000E-04    0.997754E+00
  39   -0.137224E-04    0.243009E+03  0.564687E-07 0.100000E-04    0.996953E+00
  40    0.968427E-05    0.238284E+03 -0.406417E-07 0.100000E-04    0.995316E+00
  41    0.143992E-04    0.235305E+03 -0.611938E-07 0.100000E-04    0.988928E+00
  42   -0.502757E-05    0.228691E+03  0.219842E-07 0.100000E-04    0.991551E+00
  43    0.487176E-05    0.222910E+03 -0.218553E-07 0.100000E-04    0.987735E+00
  44   -0.930553E-05    0.212824E+03  0.437241E-07 0.100000E-04    0.985935E+00
  45    0.325260E-05    0.211617E+03 -0.153703E-07 0.100000E-04    0.987972E+00
  46    0.112139E-04    0.208707E+03 -0.537303E-07 0.100000E-04    0.991924E+00
  47   -0.217202E-04    0.203181E+03  0.106901E-06 0.100000E-04    0.994745E+00
  48    0.850838E-06    0.198167E+03 -0.429354E-08 0.100000E-04    0.967207E+00
  49   -0.133277E-04    0.195518E+03  0.681663E-07 0.100000E-04    0.992610E+00
  50   -0.771018E-05    0.191609E+03  0.402391E-07 0.100000E-04    0.998560E+00
  51   -0.891517E-05    0.185655E+03  0.480200E-07 0.100000E-04    0.992457E+00
  52   -0.204115E-06    0.176816E+03  0.115439E-08 0.100000E-04    0.903733E+00
  53   -0.802451E-05    0.171044E+03  0.469148E-07 0.100000E-04    0.995744E+00
  54   -0.670332E-05    0.167854E+03  0.399354E-07 0.100000E-04    0.988929E+00
  55    0.155685E-04    0.165612E+03 -0.940057E-07 0.100000E-04    0.996152E+00
  56    0.512106E-05    0.160155E+03 -0.319757E-07 0.100000E-04    0.999888E+00
  57    0.370009E-05    0.153497E+03 -0.241053E-07 0.100000E-04    0.990733E+00
  58   -0.139333E-04    0.150964E+03  0.922954E-07 0.100000E-04    0.994539E+00
  59   -0.650215E-05    0.149089E+03  0.436124E-07 0.100000E-04    0.999867E+00
  60   -0.141720E-04    0.142907E+03  0.991695E-07 0.100000E-04    0.994017E+00
  61   -0.119934E-04    0.136949E+03  0.875760E-07 0.100000E-04    0.995191E+00
  62   -0.273331E-04    0.135188E+03  0.202185E-06 0.100000E-04    0.997877E+00
  63    0.183807E-04    0.130896E+03 -0.140423E-06 0.100000E-04    0.998446E+00
  64   -0.812444E-05    0.127668E+03  0.636372E-07 0.100000E-04    0.987869E+00
  65   -0.551151E-07    0.126009E+03  0.437391E-09 0.100000E-04    0.632857E+00
  66   -0.209588E-04    0.125181E+03  0.167428E-06 0.100000E-04    0.997276E+00
  67    0.205589E-05    0.119502E+03 -0.172038E-07 0.100000E-04    0.981168E+00
  68   -0.633415E-05    0.117960E+03  0.536972E-07 0.100000E-04    0.996161E+00
  69    0.182143E-05    0.116715E+03 -0.156058E-07 0.100000E-04    0.991334E+00
  70   -0.137472E-04    0.111942E+03  0.122805E-06 0.100000E-04    0.991254E+00
  71    0.174518E-05    0.109278E+03 -0.159701E-07 0.100000E-04    0.985194E+00
  72    0.299273E-04    0.105210E+03 -0.284452E-06 0.100000E-04    0.995451E+00
  73   -0.146445E-04    0.102909E+03  0.142306E-06 0.100000E-04    0.992372E+00
  74    0.275255E-04    0.100116E+03 -0.274935E-06 0.100000E-04    0.998970E+00
  75   -0.289395E-04    0.969201E+02  0.298591E-06 0.100000E-04    0.991331E+00
  76    0.258799E-04    0.951160E+02 -0.272087E-06 0.100000E-04    0.996111E+00
  77   -0.511449E-04    0.913237E+02  0.560040E-06 0.100000E-04    0.995081E+00
  78   -0.237513E-05    0.907445E+02  0.261738E-07 0.100000E-04    0.979969E+00
  79    0.293794E-04    0.892252E+02 -0.329273E-06 0.100000E-04    0.994834E+00
  80    0.141396E-04    0.846278E+02 -0.167080E-06 0.100000E-04    0.993760E+00
  81    0.142283E-04    0.808987E+02 -0.175878E-06 0.100000E-04    0.996372E+00
  82   -0.134843E-04    0.794244E+02  0.169776E-06 0.100000E-04    0.993258E+00
  83    0.112264E-04    0.785084E+02 -0.142996E-06 0.100000E-04    0.992667E+00
  84   -0.210673E-04    0.727908E+02  0.289423E-06 0.100000E-04    0.995878E+00
  85   -0.325675E-04    0.716444E+02  0.454572E-06 0.100000E-04    0.997738E+00
  86    0.344078E-04    0.685465E+02 -0.501962E-06 0.100000E-04    0.997283E+00
  87   -0.127551E-04    0.678602E+02  0.187962E-06 0.100000E-04    0.964032E+00
  88   -0.136681E-05    0.633977E+02  0.215593E-07 0.100000E-04    0.969823E+00
  89   -0.377423E-04    0.614805E+02  0.613890E-06 0.100000E-04    0.996368E+00
  90    0.180095E-04    0.596528E+02 -0.301906E-06 0.100000E-04    0.999513E+00
  91    0.623272E-06    0.588484E+02 -0.105912E-07 0.100000E-04    0.993195E+00
  92   -0.456685E-04    0.558914E+02  0.817094E-06 0.100000E-04    0.995025E+00
  93    0.384679E-04    0.533399E+02 -0.721184E-06 0.100000E-04    0.998873E+00
  94   -0.280184E-04    0.522284E+02  0.536460E-06 0.100000E-04    0.996383E+00
  95    0.340615E-04    0.502590E+02 -0.677720E-06 0.100000E-04    0.998040E+00
  96    0.109213E-04    0.479217E+02 -0.227899E-06 0.100000E-04    0.995465E+00
  97   -0.297359E-04    0.432356E+02  0.687765E-06 0.100000E-04    0.998565E+00
  98    0.224959E-04    0.400652E+02 -0.561482E-06 0.100000E-04    0.995188E+00
  99    0.714275E-04    0.370172E+02 -0.192957E-05 0.100000E-04    0.994376E+00
 100   -0.178354E-04    0.359922E+02  0.495536E-06 0.100000E-04    0.981885E+00
 101    0.117185E-03    0.354527E+02 -0.330539E-05 0.100000E-04    0.999353E+00
 102    0.683409E-04    0.289254E+02 -0.236266E-05 0.100000E-04    0.998434E+00
 103    0.296421E-04    0.287597E+02 -0.103068E-05 0.100000E-04    0.990354E+00
 104   -0.424064E-04    0.286137E+02  0.148203E-05 0.100000E-04    0.996546E+00
 105    0.358569E-04    0.230277E+02 -0.155712E-05 0.100000E-04    0.995362E+00
 106   -0.418643E-06    0.219249E+02  0.190944E-07 0.100000E-04    0.597925E+00
 107   -0.123731E-03    0.197794E+02  0.625553E-05 0.100000E-04    0.999195E+00
 108    0.597473E-04    0.167977E+02 -0.355688E-05 0.100000E-04    0.995007E+00
 109    0.753754E-04    0.137790E+02 -0.547032E-05 0.100000E-04    0.999033E+00
 110    0.192917E-03    0.123608E+02 -0.100000E-04 0.100000E-04    0.922118E+00
 111    0.168756E-02    0.104531E+02 -0.100000E-04 0.100000E-04    0.621304E+00
 112    0.934459E-05    0.957678E+01 -0.975755E-06 0.100000E-04    0.909946E+00
 113    0.104139E-01    0.758925E+01 -0.119669E-04 0.119669E-04    0.313651E+00
 114   -0.409859E+00    0.472690E+01 -0.400000E-03 0.400000E-03    0.245878E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8606536133E-01

 Beginning of optimization cycle  195.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3853159927
 potential> RMS force:                                               0.0385762098   |gradient|=.4118812109    
 Eigenvalues of the Hessian matrix:
   725.19075    672.08012    625.15396    604.38670    589.38205    566.16903 
   565.05743    479.83672    468.14491    462.38570    441.34170    430.78152 
   421.08305    406.71500    398.00797    388.72478    367.18784    362.99337 
   351.85429    339.92940    324.70075    321.72477    318.77345    316.31599 
   305.03767    287.65539    279.51132    270.97954    265.91720    262.98882 
   258.18315    253.58367    243.00155    238.27123    235.31596    228.69165 
   222.89005    212.82866    211.62128    208.69399    203.18413    198.16327 
   195.51795    191.60910    185.64569    176.80161    171.04942    167.85018 
   165.61019    160.14810    153.49765    150.96325    149.09213    142.91005 
   136.94914    135.19361    130.89404    127.66880    126.01074    125.18653 
   119.50308    117.96099    116.71791    111.93519    109.26671    105.20670 
   102.90996    100.11255     96.91439     95.11653     91.33331     90.73894 
    89.23507     84.62992     80.89896     79.42775     78.50641     72.78907 
    71.64798     68.53884     67.85892     63.39717     61.47092     59.65286 
    58.85086     55.89261     53.33579     52.22825     50.25792     47.92019 
    43.23161     40.06759     37.01662     35.98548     35.45971     28.92371 
    28.75874     28.60641     23.02476     21.92390     19.78307     16.79849 
    13.77862     12.35927     10.44094      9.57805      7.58833      4.72469 
overlap for current and previous eigenvector    109 is        -0.9999988704
overlap for current and previous eigenvector    110 is         0.9999986448
overlap for current and previous eigenvector    111 is         0.9999911199
overlap for current and previous eigenvector    112 is         0.9999934686
overlap for current and previous eigenvector    113 is         0.9999983618
overlap for current and previous eigenvector    114 is        -0.9999995781
J1,K1,R1,R2,RAT=   7   7   -0.1813387651E-01     2.017967305        0.9818661235    
FOB,PFOB,DIAG,PSTEP=   -0.1035960942E-05   -0.1017508040E-05     725.1907532        0.1403207069E-08
J1,K1,R1,R2,RAT=   8   8   -0.1290880126E-02     2.001250798        0.9987091199    
FOB,PFOB,DIAG,PSTEP=   -0.2196959486E-05   -0.2194127074E-05     672.0801167        0.3264746259E-08
J1,K1,R1,R2,RAT=   9   9    0.9247450463E-02     1.990702746        0.9907027463    
FOB,PFOB,DIAG,PSTEP=    0.7516154398E-06    0.7586310173E-06     625.1539583       -0.1213540919E-08
J1,K1,R1,R2,RAT=  10  10   -0.8426476722E-02     2.008408572        0.9915735233    
FOB,PFOB,DIAG,PSTEP=    0.1597141857E-05    0.1583795918E-05     604.3866978       -0.2620524414E-08
J1,K1,R1,R2,RAT=  11  11   -0.3886436045E-02     2.003906862        0.9961135640    
FOB,PFOB,DIAG,PSTEP=   -0.1090820074E-05   -0.1086597127E-05     589.3820544        0.1843602161E-08
J1,K1,R1,R2,RAT= 109 109     2.000097257       -0.4386507244E-04    0.9999561349    
FOB,PFOB,DIAG,PSTEP=   -0.7537874739E-04    0.7537544113E-04     13.77861931       -0.5470317979E-05
J1,K1,R1,R2,RAT= 110 110   -0.8818316549E-01     3.210006336        0.9118168345    
FOB,PFOB,DIAG,PSTEP=    0.2038161466E-03    0.1929173471E-03     12.35927447       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3752413704         32.70102395        0.6247586296    
FOB,PFOB,DIAG,PSTEP=    0.1726736702E-02    0.1687557972E-02     10.44094117       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    0.4848799580E-02     1.994886268        0.9948862685    
FOB,PFOB,DIAG,PSTEP=    0.9299277707E-05    0.9344593772E-05     9.578050395       -0.9757551267E-06
J1,K1,R1,R2,RAT= 113 113   -0.8683595894         230.2252629        0.1316404106    
FOB,PFOB,DIAG,PSTEP=    0.1049270527E-01    0.1041385029E-01     7.588328685       -0.1196694722E-04
J1,K1,R1,R2,RAT= 114 114    -434.7383266        0.9975335919        0.2466408058E-02
FOB,PFOB,DIAG,PSTEP=    0.4117437716       -0.4098585550         4.724694583       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00001 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002     -0.00001     -0.00000      0.00001      0.00001     -0.00001 
     0.00001     -0.00003      0.00002     -0.00001      0.00000      0.00002 
     0.00000     -0.00001      0.00000      0.00001     -0.00000      0.00003 
     0.00001      0.00003     -0.00003      0.00003     -0.00005     -0.00000 
     0.00003      0.00001      0.00001     -0.00001     -0.00001     -0.00002 
     0.00003      0.00003     -0.00001     -0.00000     -0.00004     -0.00002 
    -0.00000     -0.00005     -0.00004     -0.00003      0.00003      0.00001 
    -0.00003      0.00002      0.00007     -0.00002      0.00012     -0.00007 
     0.00003      0.00004      0.00004     -0.00000      0.00012     -0.00006 
    -0.00008      0.00020      0.00173      0.00001      0.01049      0.41174 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4383674882
 Log product of positive Hessian eigenvalues =          520.2417992044
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7246945826
 Unscaled step for mode    7=        0.0000000014
 Unscaled step for mode    8=        0.0000000033
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=        0.0000000017
 Unscaled step for mode   14=        0.0000000112
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000063
 Unscaled step for mode   17=       -0.0000000058
 Unscaled step for mode   18=       -0.0000000100
 Unscaled step for mode   19=        0.0000000248
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000165
 Unscaled step for mode   22=       -0.0000000052
 Unscaled step for mode   23=        0.0000000035
 Unscaled step for mode   24=       -0.0000000038
 Unscaled step for mode   25=        0.0000000365
 Unscaled step for mode   26=        0.0000000613
 Unscaled step for mode   27=        0.0000000319
 Unscaled step for mode   28=        0.0000000009
 Unscaled step for mode   29=        0.0000000023
 Unscaled step for mode   30=        0.0000000566
 Unscaled step for mode   31=        0.0000000174
 Unscaled step for mode   32=        0.0000000073
 Unscaled step for mode   33=       -0.0000000246
 Unscaled step for mode   34=       -0.0000000145
 Unscaled step for mode   35=       -0.0000000709
 Unscaled step for mode   36=       -0.0000000242
 Unscaled step for mode   37=        0.0000000379
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000567
 Unscaled step for mode   40=       -0.0000000407
 Unscaled step for mode   41=       -0.0000000618
 Unscaled step for mode   42=        0.0000000221
 Unscaled step for mode   43=       -0.0000000220
 Unscaled step for mode   44=        0.0000000440
 Unscaled step for mode   45=       -0.0000000154
 Unscaled step for mode   46=       -0.0000000540
 Unscaled step for mode   47=        0.0000001073
 Unscaled step for mode   48=       -0.0000000044
 Unscaled step for mode   49=        0.0000000685
 Unscaled step for mode   50=        0.0000000406
 Unscaled step for mode   51=        0.0000000482
 Unscaled step for mode   52=        0.0000000012
 Unscaled step for mode   53=        0.0000000471
 Unscaled step for mode   54=       -0.0000000402
 Unscaled step for mode   55=       -0.0000000943
 Unscaled step for mode   56=        0.0000000321
 Unscaled step for mode   57=        0.0000000243
 Unscaled step for mode   58=       -0.0000000929
 Unscaled step for mode   59=       -0.0000000434
 Unscaled step for mode   60=        0.0000000994
 Unscaled step for mode   61=       -0.0000000883
 Unscaled step for mode   62=        0.0000002029
 Unscaled step for mode   63=       -0.0000001412
 Unscaled step for mode   64=        0.0000000643
 Unscaled step for mode   65=       -0.0000000003
 Unscaled step for mode   66=       -0.0000001683
 Unscaled step for mode   67=       -0.0000000172
 Unscaled step for mode   68=        0.0000000540
 Unscaled step for mode   69=       -0.0000000160
 Unscaled step for mode   70=       -0.0000001233
 Unscaled step for mode   71=        0.0000000162
 Unscaled step for mode   72=       -0.0000002865
 Unscaled step for mode   73=       -0.0000001433
 Unscaled step for mode   74=       -0.0000002759
 Unscaled step for mode   75=        0.0000003008
 Unscaled step for mode   76=       -0.0000002729
 Unscaled step for mode   77=        0.0000005620
 Unscaled step for mode   78=        0.0000000260
 Unscaled step for mode   79=       -0.0000003285
 Unscaled step for mode   80=       -0.0000001679
 Unscaled step for mode   81=       -0.0000001767
 Unscaled step for mode   82=        0.0000001694
 Unscaled step for mode   83=        0.0000001431
 Unscaled step for mode   84=        0.0000002918
 Unscaled step for mode   85=       -0.0000004573
 Unscaled step for mode   86=       -0.0000005011
 Unscaled step for mode   87=        0.0000001942
 Unscaled step for mode   88=        0.0000000219
 Unscaled step for mode   89=        0.0000006171
 Unscaled step for mode   90=        0.0000003045
 Unscaled step for mode   91=        0.0000000109
 Unscaled step for mode   92=        0.0000008200
 Unscaled step for mode   93=        0.0000007228
 Unscaled step for mode   94=        0.0000005404
 Unscaled step for mode   95=       -0.0000006784
 Unscaled step for mode   96=       -0.0000002273
 Unscaled step for mode   97=        0.0000006924
 Unscaled step for mode   98=       -0.0000005647
 Unscaled step for mode   99=       -0.0000019496
 Unscaled step for mode  100=        0.0000004842
 Unscaled step for mode  101=       -0.0000033095
 Unscaled step for mode  102=        0.0000023747
 Unscaled step for mode  103=       -0.0000010425
 Unscaled step for mode  104=       -0.0000014902
 Unscaled step for mode  105=       -0.0000015663
 Unscaled step for mode  106=        0.0000000371
 Unscaled step for mode  107=       -0.0000062694
 Unscaled step for mode  108=        0.0000035186
 Unscaled step for mode  109=        0.0000054707
 Unscaled step for mode  110=       -0.0000164909
 Unscaled step for mode  111=       -0.0001653813
 Unscaled step for mode  112=       -0.0000009709
 Unscaled step for mode  113=       -0.0013827399
 Unscaled step for mode  114=        0.0864951877
 Largest modulus ratio of non-zero e/values=           153.4894458    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.179978E-16    0.101887E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.949111E-15    0.100745E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.662637E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.284557E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.248933E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.624988E-15    0.973671E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.103596E-05    0.725191E+03  0.142854E-08 0.100000E-04    0.981866E+00
   8   -0.219696E-05    0.672080E+03  0.326890E-08 0.100000E-04    0.998709E+00
   9    0.751615E-06    0.625154E+03 -0.120229E-08 0.100000E-04    0.990703E+00
  10    0.159714E-05    0.604387E+03 -0.264258E-08 0.100000E-04    0.991574E+00
  11   -0.109082E-05    0.589382E+03  0.185079E-08 0.100000E-04    0.996114E+00
  12    0.305404E-05    0.566169E+03 -0.539422E-08 0.100000E-04    0.993719E+00
  13   -0.974907E-06    0.565057E+03  0.172532E-08 0.100000E-04    0.959609E+00
  14   -0.538472E-05    0.479837E+03  0.112220E-07 0.100000E-04    0.998965E+00
  15    0.183988E-05    0.468145E+03 -0.393014E-08 0.100000E-04    0.994573E+00
  16    0.292184E-05    0.462386E+03 -0.631905E-08 0.100000E-04    0.990253E+00
  17    0.253992E-05    0.441342E+03 -0.575500E-08 0.100000E-04    0.988282E+00
  18    0.432227E-05    0.430782E+03 -0.100335E-07 0.100000E-04    0.998507E+00
  19   -0.104372E-04    0.421083E+03  0.247865E-07 0.100000E-04    0.994996E+00
  20    0.896980E-05    0.406715E+03 -0.220543E-07 0.100000E-04    0.998294E+00
  21    0.657306E-05    0.398008E+03 -0.165149E-07 0.100000E-04    0.996372E+00
  22    0.201743E-05    0.388725E+03 -0.518986E-08 0.100000E-04    0.981954E+00
  23   -0.127279E-05    0.367188E+03  0.346631E-08 0.100000E-04    0.997382E+00
  24    0.137966E-05    0.362993E+03 -0.380079E-08 0.100000E-04    0.990082E+00
  25   -0.128265E-04    0.351854E+03  0.364539E-07 0.100000E-04    0.995671E+00
  26   -0.208530E-04    0.339929E+03  0.613452E-07 0.100000E-04    0.994809E+00
  27   -0.103636E-04    0.324701E+03  0.319172E-07 0.100000E-04    0.995774E+00
  28   -0.281094E-06    0.321725E+03  0.873709E-09 0.100000E-04    0.753985E+00
  29   -0.726437E-06    0.318773E+03  0.227885E-08 0.100000E-04    0.896208E+00
  30   -0.179179E-04    0.316316E+03  0.566456E-07 0.100000E-04    0.996085E+00
  31   -0.531100E-05    0.305038E+03  0.174110E-07 0.100000E-04    0.993558E+00
  32   -0.209260E-05    0.287655E+03  0.727469E-08 0.100000E-04    0.985646E+00
  33    0.688573E-05    0.279511E+03 -0.246349E-07 0.100000E-04    0.993303E+00
  34    0.393766E-05    0.270980E+03 -0.145312E-07 0.100000E-04    0.989038E+00
  35    0.188564E-04    0.265917E+03 -0.709109E-07 0.100000E-04    0.997443E+00
  36    0.636226E-05    0.262989E+03 -0.241921E-07 0.100000E-04    0.989443E+00
  37   -0.978138E-05    0.258183E+03  0.378854E-07 0.100000E-04    0.994157E+00
  38   -0.373744E-05    0.253584E+03  0.147385E-07 0.100000E-04    0.998419E+00
  39   -0.137786E-04    0.243002E+03  0.567019E-07 0.100000E-04    0.995903E+00
  40    0.970763E-05    0.238271E+03 -0.407419E-07 0.100000E-04    0.997588E+00
  41    0.145505E-04    0.235316E+03 -0.618341E-07 0.100000E-04    0.989493E+00
  42   -0.505610E-05    0.228692E+03  0.221088E-07 0.100000E-04    0.994325E+00
  43    0.490626E-05    0.222890E+03 -0.220120E-07 0.100000E-04    0.992917E+00
  44   -0.936444E-05    0.212829E+03  0.439999E-07 0.100000E-04    0.993669E+00
  45    0.325972E-05    0.211621E+03 -0.154036E-07 0.100000E-04    0.997810E+00
  46    0.112726E-04    0.208694E+03 -0.540152E-07 0.100000E-04    0.994759E+00
  47   -0.217921E-04    0.203184E+03  0.107253E-06 0.100000E-04    0.996691E+00
  48    0.873940E-06    0.198163E+03 -0.441020E-08 0.100000E-04    0.972848E+00
  49   -0.133869E-04    0.195518E+03  0.684687E-07 0.100000E-04    0.995562E+00
  50   -0.777592E-05    0.191609E+03  0.405822E-07 0.100000E-04    0.991473E+00
  51   -0.894766E-05    0.185646E+03  0.481975E-07 0.100000E-04    0.996356E+00
  52   -0.209219E-06    0.176802E+03  0.118336E-08 0.100000E-04    0.974990E+00
  53   -0.805344E-05    0.171049E+03  0.470826E-07 0.100000E-04    0.996395E+00
  54    0.674850E-05    0.167850E+03 -0.402055E-07 0.100000E-04    0.993261E+00
  55    0.156134E-04    0.165610E+03 -0.942782E-07 0.100000E-04    0.997113E+00
  56   -0.514632E-05    0.160148E+03  0.321347E-07 0.100000E-04    0.995067E+00
  57   -0.373244E-05    0.153498E+03  0.243159E-07 0.100000E-04    0.991257E+00
  58    0.140222E-04    0.150963E+03 -0.928848E-07 0.100000E-04    0.993618E+00
  59    0.646387E-05    0.149092E+03 -0.433549E-07 0.100000E-04    0.994076E+00
  60   -0.142104E-04    0.142910E+03  0.994360E-07 0.100000E-04    0.997291E+00
  61    0.120980E-04    0.136949E+03 -0.883394E-07 0.100000E-04    0.991279E+00
  62   -0.274264E-04    0.135194E+03  0.202868E-06 0.100000E-04    0.996584E+00
  63    0.184787E-04    0.130894E+03 -0.141173E-06 0.100000E-04    0.994668E+00
  64   -0.820933E-05    0.127669E+03  0.643018E-07 0.100000E-04    0.989552E+00
  65    0.389239E-07    0.126011E+03 -0.308893E-09 0.100000E-04    0.706203E+00
  66    0.210634E-04    0.125187E+03 -0.168256E-06 0.100000E-04    0.995007E+00
  67    0.204961E-05    0.119503E+03 -0.171511E-07 0.100000E-04    0.996924E+00
  68   -0.637120E-05    0.117961E+03  0.540111E-07 0.100000E-04    0.994151E+00
  69    0.186238E-05    0.116718E+03 -0.159562E-07 0.100000E-04    0.977520E+00
  70    0.138044E-04    0.111935E+03 -0.123325E-06 0.100000E-04    0.995832E+00
  71   -0.177298E-05    0.109267E+03  0.162261E-07 0.100000E-04    0.984070E+00
  72    0.301441E-04    0.105207E+03 -0.286522E-06 0.100000E-04    0.992755E+00
  73    0.147450E-04    0.102910E+03 -0.143281E-06 0.100000E-04    0.993136E+00
  74    0.276213E-04    0.100113E+03 -0.275903E-06 0.100000E-04    0.996517E+00
  75   -0.291564E-04    0.969144E+02  0.300847E-06 0.100000E-04    0.992502E+00
  76    0.259601E-04    0.951165E+02 -0.272930E-06 0.100000E-04    0.996899E+00
  77   -0.513322E-04    0.913333E+02  0.562032E-06 0.100000E-04    0.996337E+00
  78   -0.235819E-05    0.907389E+02  0.259888E-07 0.100000E-04    0.992870E+00
  79    0.293120E-04    0.892351E+02 -0.328481E-06 0.100000E-04    0.997485E+00
  80    0.142062E-04    0.846299E+02 -0.167862E-06 0.100000E-04    0.995296E+00
  81    0.142954E-04    0.808990E+02 -0.176707E-06 0.100000E-04    0.995278E+00
  82   -0.134528E-04    0.794278E+02  0.169372E-06 0.100000E-04    0.997577E+00
  83   -0.112324E-04    0.785064E+02  0.143077E-06 0.100000E-04    0.999464E+00
  84   -0.212393E-04    0.727891E+02  0.291792E-06 0.100000E-04    0.991838E+00
  85    0.327618E-04    0.716480E+02 -0.457261E-06 0.100000E-04    0.994034E+00
  86    0.343426E-04    0.685388E+02 -0.501068E-06 0.100000E-04    0.998107E+00
  87   -0.131752E-04    0.678589E+02  0.194155E-06 0.100000E-04    0.967069E+00
  88   -0.139048E-05    0.633972E+02  0.219329E-07 0.100000E-04    0.982683E+00
  89   -0.379311E-04    0.614709E+02  0.617057E-06 0.100000E-04    0.994996E+00
  90   -0.181626E-04    0.596529E+02  0.304471E-06 0.100000E-04    0.991501E+00
  91   -0.639225E-06    0.588509E+02  0.108618E-07 0.100000E-04    0.974405E+00
  92   -0.458336E-04    0.558926E+02  0.820029E-06 0.100000E-04    0.996386E+00
  93   -0.385516E-04    0.533358E+02  0.722809E-06 0.100000E-04    0.997824E+00
  94   -0.282229E-04    0.522283E+02  0.540375E-06 0.100000E-04    0.992705E+00
  95    0.340945E-04    0.502579E+02 -0.678390E-06 0.100000E-04    0.999033E+00
  96    0.108914E-04    0.479202E+02 -0.227281E-06 0.100000E-04    0.997257E+00
  97   -0.299320E-04    0.432316E+02  0.692363E-06 0.100000E-04    0.993406E+00
  98    0.226281E-04    0.400676E+02 -0.564747E-06 0.100000E-04    0.994124E+00
  99    0.721664E-04    0.370166E+02 -0.194957E-05 0.100000E-04    0.989655E+00
 100   -0.174239E-04    0.359855E+02  0.484193E-06 0.100000E-04    0.976924E+00
 101    0.117352E-03    0.354597E+02 -0.330945E-05 0.100000E-04    0.998572E+00
 102   -0.686866E-04    0.289237E+02  0.237475E-05 0.100000E-04    0.994942E+00
 103    0.299817E-04    0.287587E+02 -0.104252E-05 0.100000E-04    0.988543E+00
 104    0.426294E-04    0.286064E+02 -0.149020E-05 0.100000E-04    0.994741E+00
 105    0.360640E-04    0.230248E+02 -0.156632E-05 0.100000E-04    0.994223E+00
 106   -0.813215E-06    0.219239E+02  0.370926E-07 0.109000E-04    0.574556E-01
 107    0.124028E-03    0.197831E+02 -0.626940E-05 0.100000E-04    0.997597E+00
 108   -0.591077E-04    0.167985E+02  0.351863E-05 0.100000E-04    0.989199E+00
 109   -0.753787E-04    0.137786E+02  0.547070E-05 0.100000E-04    0.999956E+00
 110    0.203816E-03    0.123593E+02 -0.100000E-04 0.100000E-04    0.911817E+00
 111    0.172674E-02    0.104409E+02 -0.100000E-04 0.100000E-04    0.624759E+00
 112    0.929928E-05    0.957805E+01 -0.970895E-06 0.100000E-04    0.994886E+00
 113    0.104927E-01    0.758833E+01 -0.130440E-04 0.130440E-04    0.131640E+00
 114    0.411744E+00    0.472469E+01  0.400000E-03 0.400000E-03    0.246641E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8649518766E-01

 Beginning of optimization cycle  196.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3851510730
 potential> RMS force:                                               0.0387528169   |gradient|=.4137668587    
 Eigenvalues of the Hessian matrix:
   725.25112    672.09346    625.16944    604.39211    589.37590    566.19770 
   565.08601    479.85704    468.12199    462.37630    441.34088    430.77246 
   421.09020    406.72565    398.00387    388.72741    367.19150    362.98355 
   351.84646    339.89417    324.70752    321.72029    318.78741    316.29019 
   305.03278    287.66039    279.50610    270.97492    265.92128    262.99894 
   258.19086    253.58627    242.99376    238.25866    235.32645    228.69263 
   222.87051    212.83337    211.62601    208.68123    203.18746    198.15937 
   195.51812    191.60896    185.63608    176.78768    171.05466    167.84640 
   165.60821    160.14162    153.49837    150.96276    149.09477    142.91312 
   136.94957    135.19906    130.89247    127.66951    126.01269    125.19198 
   119.50445    117.96152    116.72079    111.92788    109.25579    105.20308 
   102.91141    100.10890     96.90862     95.11699     91.34302     90.73344 
    89.24493     84.63209     80.89924     79.43113     78.50440     72.78737 
    71.65156     68.53122     67.85752     63.39667     61.46124     59.65296 
    58.85333     55.89383     53.33164     52.22807     50.25684     47.91866 
    43.22767     40.06999     37.01610     35.97864     35.46666     28.92202 
    28.75788     28.59899     23.02185     21.92291     19.78675     16.79928 
    13.77826     12.35778     10.42878      9.57930      7.58738      4.72246 
overlap for current and previous eigenvector    109 is        -0.9999988817
overlap for current and previous eigenvector    110 is         0.9999986685
overlap for current and previous eigenvector    111 is         0.9999907536
overlap for current and previous eigenvector    112 is         0.9999930652
overlap for current and previous eigenvector    113 is         0.9999983389
overlap for current and previous eigenvector    114 is         0.9999995799
J1,K1,R1,R2,RAT=   7   7   -0.1492711420E-01     2.014760635        0.9850728858    
FOB,PFOB,DIAG,PSTEP=   -0.1051426137E-05   -0.1035960942E-05     725.2511227        0.1428535786E-08
J1,K1,R1,R2,RAT=   8   8   -0.1324252619E-01     2.013202831        0.9867574738    
FOB,PFOB,DIAG,PSTEP=   -0.2226053357E-05   -0.2196959486E-05     672.0934560        0.3268895227E-08
J1,K1,R1,R2,RAT=   9   9   -0.2981590323E-02     2.002932058        0.9970184097    
FOB,PFOB,DIAG,PSTEP=    0.7538565046E-06    0.7516154398E-06     625.1694412       -0.1202288540E-08
J1,K1,R1,R2,RAT=  10  10    0.4844345860E-02     1.995137758        0.9951377576    
FOB,PFOB,DIAG,PSTEP=    0.1589404680E-05    0.1597141857E-05     604.3921061       -0.2642582742E-08
J1,K1,R1,R2,RAT=  11  11    0.6196452488E-03     1.999401254        0.9993803548    
FOB,PFOB,DIAG,PSTEP=   -0.1090144160E-05   -0.1090820074E-05     589.3758956        0.1850786032E-08
J1,K1,R1,R2,RAT= 109 109     2.000982679       -0.9303014408E-03    0.9990696986    
FOB,PFOB,DIAG,PSTEP=    0.7544887051E-04   -0.7537874739E-04     13.77825848        0.5470703970E-05
J1,K1,R1,R2,RAT= 110 110   -0.9069893487E-01     3.389287144        0.9093010651    
FOB,PFOB,DIAG,PSTEP=    0.2150245219E-03    0.2038161466E-03     12.35778058       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3865360656         33.50137932        0.6134639344    
FOB,PFOB,DIAG,PSTEP=    0.1767047689E-02    0.1726736702E-02     10.42877775       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9054095202E-01     2.090279656        0.9094590480    
FOB,PFOB,DIAG,PSTEP=    0.1014135318E-04    0.9299277707E-05     9.579301913       -0.9708946313E-06
J1,K1,R1,R2,RAT= 113 113   -0.7145590677         212.7537006        0.2854409323    
FOB,PFOB,DIAG,PSTEP=    0.1056342483E-01    0.1049270527E-01     7.587375174       -0.1304397247E-04
J1,K1,R1,R2,RAT= 114 114    0.9975198495        -436.9397805        0.2480150521E-02
FOB,PFOB,DIAG,PSTEP=    0.4136280697        0.4117437716         4.722457637        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00001 
     0.00000     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001     -0.00000      0.00001      0.00001     -0.00001 
    -0.00001     -0.00003      0.00002     -0.00001      0.00000      0.00002 
     0.00000     -0.00001      0.00000      0.00001      0.00000      0.00003 
     0.00001      0.00003     -0.00003      0.00003     -0.00005     -0.00000 
     0.00003      0.00001      0.00001     -0.00001     -0.00001     -0.00002 
     0.00003     -0.00003      0.00001      0.00000      0.00004      0.00002 
     0.00000      0.00005      0.00004      0.00003      0.00003      0.00001 
     0.00003      0.00002      0.00007     -0.00002      0.00012     -0.00007 
     0.00003      0.00004      0.00004     -0.00000      0.00012     -0.00006 
     0.00008      0.00022      0.00177      0.00001      0.01056      0.41363 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4383420365
 Log product of positive Hessian eigenvalues =          520.2392401803
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7224576365
 Unscaled step for mode    7=        0.0000000014
 Unscaled step for mode    8=        0.0000000033
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000018
 Unscaled step for mode   12=       -0.0000000054
 Unscaled step for mode   13=        0.0000000018
 Unscaled step for mode   14=        0.0000000112
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000064
 Unscaled step for mode   17=       -0.0000000058
 Unscaled step for mode   18=       -0.0000000101
 Unscaled step for mode   19=        0.0000000249
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000165
 Unscaled step for mode   22=       -0.0000000053
 Unscaled step for mode   23=        0.0000000034
 Unscaled step for mode   24=       -0.0000000038
 Unscaled step for mode   25=        0.0000000366
 Unscaled step for mode   26=        0.0000000616
 Unscaled step for mode   27=        0.0000000321
 Unscaled step for mode   28=        0.0000000006
 Unscaled step for mode   29=        0.0000000021
 Unscaled step for mode   30=        0.0000000570
 Unscaled step for mode   31=        0.0000000176
 Unscaled step for mode   32=        0.0000000073
 Unscaled step for mode   33=       -0.0000000247
 Unscaled step for mode   34=       -0.0000000146
 Unscaled step for mode   35=       -0.0000000712
 Unscaled step for mode   36=       -0.0000000244
 Unscaled step for mode   37=        0.0000000381
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000569
 Unscaled step for mode   40=       -0.0000000409
 Unscaled step for mode   41=       -0.0000000625
 Unscaled step for mode   42=        0.0000000223
 Unscaled step for mode   43=       -0.0000000223
 Unscaled step for mode   44=        0.0000000446
 Unscaled step for mode   45=       -0.0000000152
 Unscaled step for mode   46=       -0.0000000544
 Unscaled step for mode   47=        0.0000001078
 Unscaled step for mode   48=       -0.0000000045
 Unscaled step for mode   49=        0.0000000690
 Unscaled step for mode   50=        0.0000000405
 Unscaled step for mode   51=        0.0000000486
 Unscaled step for mode   52=        0.0000000013
 Unscaled step for mode   53=        0.0000000473
 Unscaled step for mode   54=       -0.0000000406
 Unscaled step for mode   55=       -0.0000000946
 Unscaled step for mode   56=       -0.0000000321
 Unscaled step for mode   57=        0.0000000245
 Unscaled step for mode   58=       -0.0000000934
 Unscaled step for mode   59=       -0.0000000433
 Unscaled step for mode   60=        0.0000001000
 Unscaled step for mode   61=        0.0000000888
 Unscaled step for mode   62=        0.0000002033
 Unscaled step for mode   63=       -0.0000001414
 Unscaled step for mode   64=        0.0000000651
 Unscaled step for mode   65=       -0.0000000004
 Unscaled step for mode   66=       -0.0000001687
 Unscaled step for mode   67=       -0.0000000175
 Unscaled step for mode   68=        0.0000000542
 Unscaled step for mode   69=       -0.0000000161
 Unscaled step for mode   70=       -0.0000001244
 Unscaled step for mode   71=       -0.0000000165
 Unscaled step for mode   72=       -0.0000002878
 Unscaled step for mode   73=       -0.0000001444
 Unscaled step for mode   74=       -0.0000002762
 Unscaled step for mode   75=        0.0000003035
 Unscaled step for mode   76=       -0.0000002740
 Unscaled step for mode   77=        0.0000005647
 Unscaled step for mode   78=        0.0000000255
 Unscaled step for mode   79=       -0.0000003268
 Unscaled step for mode   80=       -0.0000001689
 Unscaled step for mode   81=       -0.0000001773
 Unscaled step for mode   82=        0.0000001682
 Unscaled step for mode   83=        0.0000001441
 Unscaled step for mode   84=        0.0000002930
 Unscaled step for mode   85=       -0.0000004583
 Unscaled step for mode   86=        0.0000004995
 Unscaled step for mode   87=       -0.0000002009
 Unscaled step for mode   88=       -0.0000000213
 Unscaled step for mode   89=       -0.0000006194
 Unscaled step for mode   90=       -0.0000003046
 Unscaled step for mode   91=       -0.0000000109
 Unscaled step for mode   92=       -0.0000008240
 Unscaled step for mode   93=       -0.0000007220
 Unscaled step for mode   94=       -0.0000005423
 Unscaled step for mode   95=       -0.0000006770
 Unscaled step for mode   96=       -0.0000002283
 Unscaled step for mode   97=       -0.0000006934
 Unscaled step for mode   98=       -0.0000005674
 Unscaled step for mode   99=       -0.0000019603
 Unscaled step for mode  100=        0.0000004751
 Unscaled step for mode  101=       -0.0000033107
 Unscaled step for mode  102=        0.0000023789
 Unscaled step for mode  103=       -0.0000010492
 Unscaled step for mode  104=       -0.0000014873
 Unscaled step for mode  105=       -0.0000015737
 Unscaled step for mode  106=        0.0000000246
 Unscaled step for mode  107=       -0.0000062728
 Unscaled step for mode  108=        0.0000035007
 Unscaled step for mode  109=       -0.0000054759
 Unscaled step for mode  110=       -0.0000173999
 Unscaled step for mode  111=       -0.0001694396
 Unscaled step for mode  112=       -0.0000010587
 Unscaled step for mode  113=       -0.0013922344
 Unscaled step for mode  114=        0.0869256433
 Largest modulus ratio of non-zero e/values=           153.5749346    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.670904E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.926125E-15    0.100745E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.686750E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.959736E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.133183E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.965563E-15    0.973673E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.105143E-05    0.725251E+03  0.144974E-08 0.100000E-04    0.985073E+00
   8   -0.222605E-05    0.672093E+03  0.331212E-08 0.100000E-04    0.986757E+00
   9    0.753857E-06    0.625169E+03 -0.120584E-08 0.100000E-04    0.997018E+00
  10    0.158940E-05    0.604392E+03 -0.262976E-08 0.100000E-04    0.995138E+00
  11   -0.109014E-05    0.589376E+03  0.184966E-08 0.100000E-04    0.999380E+00
  12    0.302992E-05    0.566198E+03 -0.535135E-08 0.100000E-04    0.992003E+00
  13   -0.104283E-05    0.565086E+03  0.184543E-08 0.100000E-04    0.930333E+00
  14   -0.536642E-05    0.479857E+03  0.111834E-07 0.100000E-04    0.996517E+00
  15    0.184933E-05    0.468122E+03 -0.395053E-08 0.100000E-04    0.994860E+00
  16    0.293766E-05    0.462376E+03 -0.635339E-08 0.100000E-04    0.994584E+00
  17    0.254516E-05    0.441341E+03 -0.576688E-08 0.100000E-04    0.997937E+00
  18    0.433462E-05    0.430772E+03 -0.100624E-07 0.100000E-04    0.997143E+00
  19   -0.104761E-04    0.421090E+03  0.248784E-07 0.100000E-04    0.996276E+00
  20    0.896151E-05    0.406726E+03 -0.220333E-07 0.100000E-04    0.999023E+00
  21    0.658358E-05    0.398004E+03 -0.165415E-07 0.100000E-04    0.998399E+00
  22    0.204700E-05    0.388727E+03 -0.526590E-08 0.100000E-04    0.985342E+00
  23   -0.125494E-05    0.367192E+03  0.341767E-08 0.100000E-04    0.985957E+00
  24    0.136651E-05    0.362984E+03 -0.376465E-08 0.100000E-04    0.990465E+00
  25   -0.128830E-04    0.351846E+03  0.366154E-07 0.100000E-04    0.995590E+00
  26   -0.209513E-04    0.339894E+03  0.616405E-07 0.100000E-04    0.995290E+00
  27   -0.104179E-04    0.324708E+03  0.320840E-07 0.100000E-04    0.994754E+00
  28   -0.195779E-06    0.321720E+03  0.608538E-09 0.100000E-04    0.696485E+00
  29   -0.669156E-06    0.318787E+03  0.209907E-08 0.100000E-04    0.921063E+00
  30   -0.180180E-04    0.316290E+03  0.569668E-07 0.100000E-04    0.994412E+00
  31   -0.537315E-05    0.305033E+03  0.176150E-07 0.100000E-04    0.988298E+00
  32   -0.211423E-05    0.287660E+03  0.734974E-08 0.100000E-04    0.989666E+00
  33    0.690909E-05    0.279506E+03 -0.247189E-07 0.100000E-04    0.996608E+00
  34    0.395769E-05    0.270975E+03 -0.146054E-07 0.100000E-04    0.994912E+00
  35    0.189361E-04    0.265921E+03 -0.712093E-07 0.100000E-04    0.995776E+00
  36    0.642800E-05    0.262999E+03 -0.244412E-07 0.100000E-04    0.989668E+00
  37   -0.983879E-05    0.258191E+03  0.381067E-07 0.100000E-04    0.994131E+00
  38   -0.374511E-05    0.253586E+03  0.147686E-07 0.100000E-04    0.997950E+00
  39   -0.138201E-04    0.242994E+03  0.568742E-07 0.100000E-04    0.996993E+00
  40    0.974895E-05    0.238259E+03 -0.409175E-07 0.100000E-04    0.995743E+00
  41    0.147114E-04    0.235326E+03 -0.625147E-07 0.100000E-04    0.988948E+00
  42   -0.509853E-05    0.228693E+03  0.222943E-07 0.100000E-04    0.991609E+00
  43    0.496583E-05    0.222871E+03 -0.222813E-07 0.100000E-04    0.987857E+00
  44   -0.949338E-05    0.212833E+03  0.446047E-07 0.100000E-04    0.986232E+00
  45    0.321980E-05    0.211626E+03 -0.152146E-07 0.100000E-04    0.987709E+00
  46    0.113625E-04    0.208681E+03 -0.544491E-07 0.100000E-04    0.992028E+00
  47   -0.219047E-04    0.203187E+03  0.107805E-06 0.100000E-04    0.994832E+00
  48    0.901067E-06    0.198159E+03 -0.454719E-08 0.100000E-04    0.968959E+00
  49   -0.134847E-04    0.195518E+03  0.689688E-07 0.100000E-04    0.992695E+00
  50   -0.776476E-05    0.191609E+03  0.405240E-07 0.100000E-04    0.998565E+00
  51   -0.901435E-05    0.185636E+03  0.485593E-07 0.100000E-04    0.992546E+00
  52   -0.227353E-06    0.176788E+03  0.128603E-08 0.100000E-04    0.913318E+00
  53   -0.808731E-05    0.171055E+03  0.472791E-07 0.100000E-04    0.995795E+00
  54    0.682227E-05    0.167846E+03 -0.406459E-07 0.100000E-04    0.989068E+00
  55    0.156724E-04    0.165608E+03 -0.946354E-07 0.100000E-04    0.996223E+00
  56    0.514698E-05    0.160142E+03 -0.321402E-07 0.100000E-04    0.999871E+00
  57   -0.376660E-05    0.153498E+03  0.245384E-07 0.100000E-04    0.990847E+00
  58    0.140984E-04    0.150963E+03 -0.933901E-07 0.100000E-04    0.994563E+00
  59    0.646241E-05    0.149095E+03 -0.433443E-07 0.100000E-04    0.999738E+00
  60   -0.142939E-04    0.142913E+03  0.100018E-06 0.100000E-04    0.994121E+00
  61   -0.121563E-04    0.136950E+03  0.887646E-07 0.100000E-04    0.995184E+00
  62   -0.274833E-04    0.135199E+03  0.203280E-06 0.100000E-04    0.997928E+00
  63    0.185069E-04    0.130892E+03 -0.141390E-06 0.100000E-04    0.998473E+00
  64   -0.830794E-05    0.127670E+03  0.650738E-07 0.100000E-04    0.987988E+00
  65    0.517959E-07    0.126013E+03 -0.411037E-09 0.100000E-04    0.669308E+00
  66    0.211200E-04    0.125192E+03 -0.168701E-06 0.100000E-04    0.997315E+00
  67    0.208775E-05    0.119504E+03 -0.174701E-07 0.100000E-04    0.981391E+00
  68   -0.639535E-05    0.117962E+03  0.542156E-07 0.100000E-04    0.996209E+00
  69    0.187816E-05    0.116721E+03 -0.160911E-07 0.100000E-04    0.991525E+00
  70    0.139236E-04    0.111928E+03 -0.124398E-06 0.100000E-04    0.991369E+00
  71    0.179890E-05    0.109256E+03 -0.164651E-07 0.100000E-04    0.985375E+00
  72    0.302809E-04    0.105203E+03 -0.287833E-06 0.100000E-04    0.995459E+00
  73    0.148558E-04    0.102911E+03 -0.144355E-06 0.100000E-04    0.992487E+00
  74    0.276483E-04    0.100109E+03 -0.276182E-06 0.100000E-04    0.999024E+00
  75   -0.294069E-04    0.969086E+02  0.303450E-06 0.100000E-04    0.991407E+00
  76    0.260580E-04    0.951170E+02 -0.273958E-06 0.100000E-04    0.996228E+00
  77   -0.515782E-04    0.913430E+02  0.564664E-06 0.100000E-04    0.995210E+00
  78   -0.231270E-05    0.907334E+02  0.254890E-07 0.100000E-04    0.980707E+00
  79    0.291619E-04    0.892449E+02 -0.326762E-06 0.100000E-04    0.994657E+00
  80    0.142933E-04    0.846321E+02 -0.168887E-06 0.100000E-04    0.993867E+00
  81    0.143469E-04    0.808992E+02 -0.177343E-06 0.100000E-04    0.996402E+00
  82   -0.133606E-04    0.794311E+02  0.168204E-06 0.100000E-04    0.993062E+00
  83   -0.113136E-04    0.785044E+02  0.144115E-06 0.100000E-04    0.992769E+00
  84   -0.213264E-04    0.727874E+02  0.292995E-06 0.100000E-04    0.995899E+00
  85    0.328350E-04    0.716516E+02 -0.458260E-06 0.100000E-04    0.997766E+00
  86   -0.342314E-04    0.685312E+02  0.499501E-06 0.100000E-04    0.996762E+00
  87    0.136296E-04    0.678575E+02 -0.200856E-06 0.100000E-04    0.965507E+00
  88    0.134721E-05    0.633967E+02 -0.212505E-07 0.100000E-04    0.968882E+00
  89    0.380676E-04    0.614612E+02 -0.619376E-06 0.100000E-04    0.996401E+00
  90    0.181720E-04    0.596530E+02 -0.304628E-06 0.100000E-04    0.999483E+00
  91    0.642916E-06    0.588533E+02 -0.109240E-07 0.100000E-04    0.994226E+00
  92    0.460569E-04    0.558938E+02 -0.824006E-06 0.100000E-04    0.995128E+00
  93    0.385067E-04    0.533316E+02 -0.722023E-06 0.100000E-04    0.998835E+00
  94    0.283243E-04    0.522281E+02 -0.542320E-06 0.100000E-04    0.996404E+00
  95    0.340256E-04    0.502568E+02 -0.677035E-06 0.100000E-04    0.997981E+00
  96    0.109394E-04    0.479187E+02 -0.228292E-06 0.100000E-04    0.995586E+00
  97    0.299740E-04    0.432277E+02 -0.693399E-06 0.100000E-04    0.998594E+00
  98    0.227364E-04    0.400700E+02 -0.567417E-06 0.100000E-04    0.995212E+00
  99    0.725631E-04    0.370161E+02 -0.196031E-05 0.100000E-04    0.994503E+00
 100   -0.170938E-04    0.359786E+02  0.475111E-06 0.100000E-04    0.981053E+00
 101    0.117418E-03    0.354667E+02 -0.331067E-05 0.100000E-04    0.999437E+00
 102   -0.688031E-04    0.289220E+02  0.237892E-05 0.100000E-04    0.998303E+00
 103    0.301726E-04    0.287579E+02 -0.104919E-05 0.100000E-04    0.993632E+00
 104    0.425361E-04    0.285990E+02 -0.148733E-05 0.100000E-04    0.997812E+00
 105    0.362290E-04    0.230219E+02 -0.157368E-05 0.100000E-04    0.995426E+00
 106   -0.538874E-06    0.219229E+02  0.245804E-07 0.100000E-04    0.662631E+00
 107    0.124119E-03    0.197867E+02 -0.627283E-05 0.100000E-04    0.999266E+00
 108   -0.588093E-04    0.167993E+02  0.350070E-05 0.100000E-04    0.994858E+00
 109    0.754489E-04    0.137783E+02 -0.547594E-05 0.100000E-04    0.999070E+00
 110    0.215025E-03    0.123578E+02 -0.100000E-04 0.100000E-04    0.909301E+00
 111    0.176705E-02    0.104288E+02 -0.100000E-04 0.100000E-04    0.613464E+00
 112    0.101414E-04    0.957930E+01 -0.105867E-05 0.100000E-04    0.909459E+00
 113    0.105634E-01    0.758738E+01 -0.117513E-04 0.117513E-04    0.285441E+00
 114    0.413628E+00    0.472246E+01  0.400000E-03 0.400000E-03    0.248015E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8692564332E-01

 Beginning of optimization cycle  197.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3849853876
 potential> RMS force:                                               0.0389293613   |gradient|=.4156518364    
 Eigenvalues of the Hessian matrix:
   725.31154    672.10688    625.18491    604.39727    589.36980    566.22656 
   565.11430    479.87745    468.09909    462.36689    441.34007    430.76333 
   421.09729    406.73627    397.99977    388.73000    367.19515    362.97375 
   351.83855    339.85896    324.71426    321.71592    318.80142    316.26423 
   305.02782    287.66541    279.50085    270.97028    265.92538    263.00900 
   258.19847    253.58887    242.98597    238.24609    235.33682    228.69354 
   222.85094    212.83809    211.63071    208.66848    203.19077    198.15544 
   195.51824    191.60883    185.62643    176.77378    171.05993    167.84260 
   165.60620    160.13514    153.49912    150.96229    149.09740    142.91622 
   136.95001    135.20449    130.89093    127.67024    126.01462    125.19743 
   119.50583    117.96206    116.72368    111.92059    109.24490    105.19949 
   102.91287    100.10527     96.90282     95.11745     91.35277     90.72793 
    89.25475     84.63425     80.89951     79.43448     78.50240     72.78571 
    71.65519     68.52376     67.85601     63.39616     61.45160     59.65305 
    58.85581     55.89507     53.32751     52.22792     50.25575     47.91715 
    43.22373     40.07239     37.01568     35.97179     35.47365     28.92037 
    28.75708     28.59150     23.01895     21.92187     19.79048     16.80006 
    13.77791     12.35629     10.41665      9.58052      7.58641      4.72020 
overlap for current and previous eigenvector    109 is         0.9999988953
overlap for current and previous eigenvector    110 is         0.9999986868
overlap for current and previous eigenvector    111 is        -0.9999903815
overlap for current and previous eigenvector    112 is         0.9999926580
overlap for current and previous eigenvector    113 is         0.9999983179
overlap for current and previous eigenvector    114 is        -0.9999995824
J1,K1,R1,R2,RAT=   7   7   -0.1770210205E-01     2.017535497        0.9822978980    
FOB,PFOB,DIAG,PSTEP=   -0.1070040140E-05   -0.1051426137E-05     725.3115428        0.1449740792E-08
J1,K1,R1,R2,RAT=   8   8   -0.1376711353E-02     2.001336778        0.9986232886    
FOB,PFOB,DIAG,PSTEP=   -0.2229118051E-05   -0.2226053357E-05     672.1068758        0.3312118779E-08
J1,K1,R1,R2,RAT=   9   9    0.9232811797E-02     1.990717688        0.9907176879    
FOB,PFOB,DIAG,PSTEP=    0.7468961171E-06    0.7538565046E-06     625.1849147       -0.1205843496E-08
J1,K1,R1,R2,RAT=  10  10   -0.8347682094E-02     2.008330582        0.9916523179    
FOB,PFOB,DIAG,PSTEP=    0.1602672639E-05    0.1589404680E-05     604.3972737       -0.2629757511E-08
J1,K1,R1,R2,RAT=  11  11   -0.3846716712E-02     2.003867410        0.9961532833    
FOB,PFOB,DIAG,PSTEP=   -0.1094337592E-05   -0.1090144160E-05     589.3697977        0.1849658542E-08
J1,K1,R1,R2,RAT= 109 109   -0.9181847269E-05     2.000059992        0.9999908182    
FOB,PFOB,DIAG,PSTEP=    0.7544956325E-04    0.7544887051E-04     13.77790845       -0.5475936644E-05
J1,K1,R1,R2,RAT= 110 110   -0.1008968876         3.581301736        0.8991031124    
FOB,PFOB,DIAG,PSTEP=    0.2274916376E-03    0.2150245219E-03     12.35629367       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     34.31036169       -0.3829844766        0.6170155234    
FOB,PFOB,DIAG,PSTEP=   -0.1806941833E-02    0.1767047689E-02     10.41664776       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.1779473633E-02     2.001524274        0.9982205264    
FOB,PFOB,DIAG,PSTEP=    0.1015940175E-04    0.1014135318E-04     9.580524384       -0.1058673510E-05
J1,K1,R1,R2,RAT= 113 113   -0.8993529460         237.8791947        0.1006470540    
FOB,PFOB,DIAG,PSTEP=    0.1064360252E-01    0.1056342483E-01     7.586412311       -0.1175132655E-04
J1,K1,R1,R2,RAT= 114 114    -439.1442743        0.9975120657        0.2487934303E-02
FOB,PFOB,DIAG,PSTEP=   -0.4155114523        0.4136280697         4.720200003        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00001     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002     -0.00001     -0.00000      0.00001     -0.00001      0.00001 
    -0.00001      0.00003      0.00002     -0.00001     -0.00000      0.00002 
     0.00000      0.00001      0.00000      0.00001      0.00000     -0.00003 
    -0.00001      0.00003     -0.00003      0.00003      0.00005     -0.00000 
     0.00003      0.00001      0.00001      0.00001     -0.00001      0.00002 
    -0.00003      0.00003     -0.00001     -0.00000     -0.00004     -0.00002 
    -0.00000     -0.00005     -0.00004      0.00003      0.00003     -0.00001 
    -0.00003      0.00002      0.00007     -0.00002     -0.00012     -0.00007 
     0.00003      0.00004     -0.00004     -0.00000     -0.00012     -0.00006 
     0.00008      0.00023     -0.00181      0.00001      0.01064     -0.41551 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4383128282
 Log product of positive Hessian eigenvalues =          520.2366817993
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7202000030
 Unscaled step for mode    7=        0.0000000015
 Unscaled step for mode    8=        0.0000000033
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000053
 Unscaled step for mode   13=        0.0000000019
 Unscaled step for mode   14=        0.0000000112
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000064
 Unscaled step for mode   17=       -0.0000000058
 Unscaled step for mode   18=       -0.0000000101
 Unscaled step for mode   19=        0.0000000250
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000166
 Unscaled step for mode   22=       -0.0000000054
 Unscaled step for mode   23=        0.0000000034
 Unscaled step for mode   24=       -0.0000000037
 Unscaled step for mode   25=        0.0000000368
 Unscaled step for mode   26=        0.0000000620
 Unscaled step for mode   27=        0.0000000322
 Unscaled step for mode   28=        0.0000000003
 Unscaled step for mode   29=        0.0000000018
 Unscaled step for mode   30=        0.0000000572
 Unscaled step for mode   31=        0.0000000177
 Unscaled step for mode   32=        0.0000000075
 Unscaled step for mode   33=       -0.0000000249
 Unscaled step for mode   34=       -0.0000000148
 Unscaled step for mode   35=       -0.0000000714
 Unscaled step for mode   36=       -0.0000000247
 Unscaled step for mode   37=        0.0000000383
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000571
 Unscaled step for mode   40=       -0.0000000410
 Unscaled step for mode   41=       -0.0000000632
 Unscaled step for mode   42=        0.0000000224
 Unscaled step for mode   43=       -0.0000000224
 Unscaled step for mode   44=        0.0000000449
 Unscaled step for mode   45=       -0.0000000152
 Unscaled step for mode   46=       -0.0000000547
 Unscaled step for mode   47=        0.0000001082
 Unscaled step for mode   48=       -0.0000000047
 Unscaled step for mode   49=        0.0000000693
 Unscaled step for mode   50=        0.0000000409
 Unscaled step for mode   51=        0.0000000487
 Unscaled step for mode   52=        0.0000000013
 Unscaled step for mode   53=        0.0000000474
 Unscaled step for mode   54=       -0.0000000409
 Unscaled step for mode   55=       -0.0000000949
 Unscaled step for mode   56=        0.0000000323
 Unscaled step for mode   57=        0.0000000248
 Unscaled step for mode   58=       -0.0000000940
 Unscaled step for mode   59=        0.0000000431
 Unscaled step for mode   60=       -0.0000001003
 Unscaled step for mode   61=        0.0000000895
 Unscaled step for mode   62=       -0.0000002040
 Unscaled step for mode   63=       -0.0000001421
 Unscaled step for mode   64=        0.0000000657
 Unscaled step for mode   65=        0.0000000003
 Unscaled step for mode   66=       -0.0000001695
 Unscaled step for mode   67=       -0.0000000174
 Unscaled step for mode   68=       -0.0000000545
 Unscaled step for mode   69=       -0.0000000164
 Unscaled step for mode   70=       -0.0000001249
 Unscaled step for mode   71=       -0.0000000167
 Unscaled step for mode   72=        0.0000002899
 Unscaled step for mode   73=        0.0000001453
 Unscaled step for mode   74=       -0.0000002771
 Unscaled step for mode   75=        0.0000003057
 Unscaled step for mode   76=       -0.0000002748
 Unscaled step for mode   77=       -0.0000005666
 Unscaled step for mode   78=        0.0000000253
 Unscaled step for mode   79=       -0.0000003259
 Unscaled step for mode   80=       -0.0000001697
 Unscaled step for mode   81=       -0.0000001782
 Unscaled step for mode   82=       -0.0000001678
 Unscaled step for mode   83=        0.0000001442
 Unscaled step for mode   84=       -0.0000002954
 Unscaled step for mode   85=        0.0000004609
 Unscaled step for mode   86=       -0.0000004983
 Unscaled step for mode   87=        0.0000002072
 Unscaled step for mode   88=        0.0000000216
 Unscaled step for mode   89=        0.0000006225
 Unscaled step for mode   90=        0.0000003072
 Unscaled step for mode   91=        0.0000000112
 Unscaled step for mode   92=        0.0000008269
 Unscaled step for mode   93=        0.0000007236
 Unscaled step for mode   94=       -0.0000005462
 Unscaled step for mode   95=       -0.0000006777
 Unscaled step for mode   96=        0.0000002277
 Unscaled step for mode   97=        0.0000006980
 Unscaled step for mode   98=       -0.0000005707
 Unscaled step for mode   99=       -0.0000019801
 Unscaled step for mode  100=        0.0000004636
 Unscaled step for mode  101=        0.0000033144
 Unscaled step for mode  102=        0.0000023912
 Unscaled step for mode  103=       -0.0000010583
 Unscaled step for mode  104=       -0.0000014971
 Unscaled step for mode  105=        0.0000015829
 Unscaled step for mode  106=        0.0000000427
 Unscaled step for mode  107=        0.0000062859
 Unscaled step for mode  108=        0.0000034622
 Unscaled step for mode  109=       -0.0000054761
 Unscaled step for mode  110=       -0.0000184110
 Unscaled step for mode  111=        0.0001734667
 Unscaled step for mode  112=       -0.0000010604
 Unscaled step for mode  113=       -0.0014029796
 Unscaled step for mode  114=       -0.0873565975
 Largest modulus ratio of non-zero e/values=           153.6611886    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.150270E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.216624E-15    0.100745E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.144199E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.630158E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.159031E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.214943E-16    0.973675E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.107004E-05    0.725312E+03  0.147528E-08 0.100000E-04    0.982298E+00
   8   -0.222912E-05    0.672107E+03  0.331661E-08 0.100000E-04    0.998623E+00
   9    0.746896E-06    0.625185E+03 -0.119468E-08 0.100000E-04    0.990718E+00
  10    0.160267E-05    0.604397E+03 -0.265169E-08 0.100000E-04    0.991652E+00
  11   -0.109434E-05    0.589370E+03  0.185679E-08 0.100000E-04    0.996153E+00
  12    0.300934E-05    0.566227E+03 -0.531473E-08 0.100000E-04    0.993106E+00
  13   -0.108046E-05    0.565114E+03  0.191194E-08 0.100000E-04    0.963912E+00
  14   -0.536082E-05    0.479877E+03  0.111712E-07 0.100000E-04    0.998871E+00
  15    0.183945E-05    0.468099E+03 -0.392961E-08 0.100000E-04    0.994656E+00
  16    0.296584E-05    0.462367E+03 -0.641446E-08 0.100000E-04    0.990408E+00
  17    0.257435E-05    0.441340E+03 -0.583304E-08 0.100000E-04    0.988530E+00
  18    0.434098E-05    0.430763E+03 -0.100774E-07 0.100000E-04    0.998531E+00
  19   -0.105280E-04    0.421097E+03  0.250014E-07 0.100000E-04    0.995041E+00
  20    0.897615E-05    0.406736E+03 -0.220687E-07 0.100000E-04    0.998366E+00
  21    0.660698E-05    0.398000E+03 -0.166005E-07 0.100000E-04    0.996446E+00
  22    0.208299E-05    0.388730E+03 -0.535844E-08 0.100000E-04    0.982420E+00
  23   -0.125153E-05    0.367195E+03  0.340836E-08 0.100000E-04    0.997266E+00
  24    0.135233E-05    0.362974E+03 -0.372569E-08 0.100000E-04    0.989623E+00
  25   -0.129383E-04    0.351839E+03  0.367735E-07 0.100000E-04    0.995707E+00
  26   -0.210589E-04    0.339859E+03  0.619638E-07 0.100000E-04    0.994860E+00
  27   -0.104617E-04    0.324714E+03  0.322183E-07 0.100000E-04    0.995793E+00
  28   -0.103287E-06    0.321716E+03  0.321050E-09 0.100000E-04    0.527563E+00
  29   -0.588159E-06    0.318801E+03  0.184491E-08 0.100000E-04    0.878874E+00
  30   -0.180863E-04    0.316264E+03  0.571873E-07 0.100000E-04    0.996211E+00
  31   -0.540786E-05    0.305028E+03  0.177291E-07 0.100000E-04    0.993540E+00
  32   -0.214402E-05    0.287665E+03  0.745318E-08 0.100000E-04    0.985909E+00
  33    0.695503E-05    0.279501E+03 -0.248838E-07 0.100000E-04    0.993350E+00
  34    0.400055E-05    0.270970E+03 -0.147638E-07 0.100000E-04    0.989170E+00
  35    0.189835E-04    0.265925E+03 -0.713867E-07 0.100000E-04    0.997494E+00
  36    0.649502E-05    0.263009E+03 -0.246950E-07 0.100000E-04    0.989574E+00
  37   -0.989597E-05    0.258198E+03  0.383270E-07 0.100000E-04    0.994189E+00
  38   -0.373889E-05    0.253589E+03  0.147439E-07 0.100000E-04    0.998320E+00
  39   -0.138759E-04    0.242986E+03  0.571059E-07 0.100000E-04    0.995958E+00
  40    0.976870E-05    0.238246E+03 -0.410026E-07 0.100000E-04    0.997974E+00
  41    0.148656E-04    0.235337E+03 -0.631672E-07 0.100000E-04    0.989519E+00
  42   -0.512733E-05    0.228694E+03  0.224201E-07 0.100000E-04    0.994352E+00
  43    0.500112E-05    0.222851E+03 -0.224415E-07 0.100000E-04    0.992894E+00
  44   -0.955333E-05    0.212838E+03  0.448854E-07 0.100000E-04    0.993685E+00
  45    0.322666E-05    0.211631E+03 -0.152466E-07 0.100000E-04    0.997870E+00
  46    0.114220E-04    0.208668E+03 -0.547376E-07 0.100000E-04    0.994764E+00
  47   -0.219761E-04    0.203191E+03  0.108155E-06 0.100000E-04    0.996738E+00
  48    0.924413E-06    0.198155E+03 -0.466509E-08 0.100000E-04    0.974090E+00
  49   -0.135440E-04    0.195518E+03  0.692723E-07 0.100000E-04    0.995599E+00
  50   -0.783021E-05    0.191609E+03  0.408656E-07 0.100000E-04    0.991571E+00
  51   -0.904716E-05    0.185626E+03  0.487385E-07 0.100000E-04    0.996360E+00
  52   -0.232644E-06    0.176774E+03  0.131606E-08 0.100000E-04    0.976726E+00
  53   -0.811655E-05    0.171060E+03  0.474486E-07 0.100000E-04    0.996384E+00
  54    0.686811E-05    0.167843E+03 -0.409200E-07 0.100000E-04    0.993280E+00
  55    0.157169E-04    0.165606E+03 -0.949054E-07 0.100000E-04    0.997159E+00
  56   -0.517190E-05    0.160135E+03  0.322971E-07 0.100000E-04    0.995158E+00
  57   -0.379956E-05    0.153499E+03  0.247530E-07 0.100000E-04    0.991251E+00
  58    0.141875E-04    0.150962E+03 -0.939803E-07 0.100000E-04    0.993683E+00
  59   -0.642248E-05    0.149097E+03  0.430757E-07 0.100000E-04    0.993786E+00
  60    0.143326E-04    0.142916E+03 -0.100287E-06 0.100000E-04    0.997296E+00
  61   -0.122616E-04    0.136950E+03  0.895337E-07 0.100000E-04    0.991332E+00
  62    0.275755E-04    0.135204E+03 -0.203954E-06 0.100000E-04    0.996644E+00
  63    0.186041E-04    0.130891E+03 -0.142135E-06 0.100000E-04    0.994748E+00
  64   -0.839425E-05    0.127670E+03  0.657495E-07 0.100000E-04    0.989611E+00
  65   -0.339849E-07    0.126015E+03  0.269690E-09 0.100000E-04    0.656106E+00
  66    0.212240E-04    0.125197E+03 -0.169524E-06 0.100000E-04    0.995073E+00
  67    0.208181E-05    0.119506E+03 -0.174201E-07 0.100000E-04    0.997130E+00
  68    0.643233E-05    0.117962E+03 -0.545288E-07 0.100000E-04    0.994218E+00
  69    0.191916E-05    0.116724E+03 -0.164419E-07 0.100000E-04    0.978173E+00
  70    0.139812E-04    0.111921E+03 -0.124920E-06 0.100000E-04    0.995864E+00
  71    0.182691E-05    0.109245E+03 -0.167231E-07 0.100000E-04    0.984427E+00
  72   -0.304981E-04    0.105199E+03  0.289907E-06 0.100000E-04    0.992828E+00
  73   -0.149565E-04    0.102913E+03  0.145332E-06 0.100000E-04    0.993220E+00
  74    0.277423E-04    0.100105E+03 -0.277131E-06 0.100000E-04    0.996600E+00
  75   -0.296267E-04    0.969028E+02  0.305736E-06 0.100000E-04    0.992528E+00
  76    0.261360E-04    0.951174E+02 -0.274776E-06 0.100000E-04    0.997008E+00
  77    0.517632E-04    0.913528E+02 -0.566630E-06 0.100000E-04    0.996412E+00
  78   -0.229765E-05    0.907279E+02  0.253246E-07 0.100000E-04    0.993490E+00
  79    0.290902E-04    0.892547E+02 -0.325923E-06 0.100000E-04    0.997322E+00
  80    0.143595E-04    0.846343E+02 -0.169665E-06 0.100000E-04    0.995371E+00
  81    0.144137E-04    0.808995E+02 -0.178168E-06 0.100000E-04    0.995340E+00
  82    0.133270E-04    0.794345E+02 -0.167773E-06 0.100000E-04    0.997399E+00
  83   -0.113201E-04    0.785024E+02  0.144201E-06 0.100000E-04    0.999428E+00
  84    0.214982E-04    0.727857E+02 -0.295364E-06 0.100000E-04    0.991940E+00
  85   -0.330284E-04    0.716552E+02  0.460935E-06 0.100000E-04    0.994111E+00
  86    0.341485E-04    0.685238E+02 -0.498346E-06 0.100000E-04    0.997577E+00
  87   -0.140628E-04    0.678560E+02  0.207244E-06 0.100000E-04    0.968219E+00
  88   -0.136888E-05    0.633962E+02  0.215925E-07 0.100000E-04    0.983917E+00
  89   -0.382560E-04    0.614516E+02  0.622539E-06 0.100000E-04    0.995050E+00
  90   -0.183248E-04    0.596531E+02  0.307190E-06 0.100000E-04    0.991590E+00
  91   -0.658089E-06    0.588558E+02  0.111814E-07 0.100000E-04    0.976402E+00
  92   -0.462201E-04    0.558951E+02  0.826908E-06 0.100000E-04    0.996457E+00
  93   -0.385876E-04    0.533275E+02  0.723596E-06 0.100000E-04    0.997899E+00
  94    0.285279E-04    0.522279E+02 -0.546220E-06 0.100000E-04    0.992813E+00
  95    0.340561E-04    0.502558E+02 -0.677656E-06 0.100000E-04    0.999105E+00
  96   -0.109087E-04    0.479171E+02  0.227658E-06 0.100000E-04    0.997191E+00
  97   -0.301693E-04    0.432237E+02  0.697981E-06 0.100000E-04    0.993484E+00
  98    0.228696E-04    0.400724E+02 -0.570708E-06 0.100000E-04    0.994141E+00
  99    0.732959E-04    0.370157E+02 -0.198013E-05 0.100000E-04    0.989901E+00
 100   -0.166773E-04    0.359718E+02  0.463621E-06 0.100000E-04    0.975627E+00
 101   -0.117575E-03    0.354737E+02  0.331444E-05 0.100000E-04    0.998664E+00
 102   -0.691531E-04    0.289204E+02  0.239116E-05 0.100000E-04    0.994913E+00
 103    0.304346E-04    0.287571E+02 -0.105833E-05 0.100000E-04    0.991317E+00
 104    0.428031E-04    0.285915E+02 -0.149706E-05 0.100000E-04    0.993723E+00
 105   -0.364362E-04    0.230190E+02  0.158288E-05 0.100000E-04    0.994280E+00
 106   -0.935278E-06    0.219219E+02  0.426641E-07 0.100000E-04    0.264349E+00
 107   -0.124401E-03    0.197905E+02  0.628592E-05 0.100000E-04    0.997725E+00
 108   -0.581660E-04    0.168001E+02  0.346225E-05 0.100000E-04    0.988968E+00
 109    0.754496E-04    0.137779E+02 -0.547613E-05 0.100000E-04    0.999991E+00
 110    0.227492E-03    0.123563E+02 -0.100000E-04 0.100000E-04    0.899103E+00
 111   -0.180694E-02    0.104166E+02  0.100000E-04 0.100000E-04    0.617016E+00
 112    0.101594E-04    0.958052E+01 -0.106042E-05 0.100000E-04    0.998221E+00
 113    0.106436E-01    0.758641E+01 -0.128089E-04 0.128089E-04    0.100647E+00
 114   -0.415511E+00    0.472020E+01 -0.400000E-03 0.400000E-03    0.248793E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8735659747E-01

 Beginning of optimization cycle  198.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3848189617
 potential> RMS force:                                               0.0391057994   |gradient|=.4175356804    
 Eigenvalues of the Hessian matrix:
   725.37194    672.12017    625.20031    604.40244    589.36356    566.25584 
   565.14218    479.89787    468.07617    462.35752    441.33929    430.75428 
   421.10439    406.74690    397.99567    388.73258    367.19884    362.96394 
   351.83072    339.82388    324.72106    321.71165    318.81545    316.23815 
   305.02285    287.67046    279.49559    270.96571    265.92957    263.01912 
   258.20624    253.59149    242.97828    238.23363    235.34715    228.69446 
   222.83137    212.84292    211.63541    208.65575    203.19410    198.15153 
   195.51834    191.60868    185.61677    176.75989    171.06522    167.83882 
   165.60418    160.12861    153.49995    150.96187    149.09989    142.91929 
   136.95044    135.20994    130.88936    127.67101    126.01650    125.20285 
   119.50722    117.96261    116.72655    111.91329    109.23397    105.19588 
   102.91433    100.10165     96.89696     95.11788     91.36257     90.72245 
    89.26451     84.63644     80.89978     79.43784     78.50041     72.78405 
    71.65880     68.51635     67.85433     63.39566     61.44190     59.65316 
    58.85826     55.89630     53.32334     52.22778     50.25465     47.91560 
    43.21981     40.07478     37.01535     35.96478     35.48057     28.91876 
    28.75633     28.58390     23.01612     21.92079     19.79421     16.80083 
    13.77757     12.35483     10.40454      9.58173      7.58541      4.71791 
overlap for current and previous eigenvector    109 is        -0.9999989062
overlap for current and previous eigenvector    110 is        -0.9999987092
overlap for current and previous eigenvector    111 is         0.9999899525
overlap for current and previous eigenvector    112 is         0.9999921930
overlap for current and previous eigenvector    113 is         0.9999982941
overlap for current and previous eigenvector    114 is         0.9999995841
J1,K1,R1,R2,RAT=   7   7   -0.1466656893E-01     2.014500054        0.9853334311    
FOB,PFOB,DIAG,PSTEP=   -0.1085735264E-05   -0.1070040140E-05     725.3719353        0.1475283485E-08
J1,K1,R1,R2,RAT=   8   8   -0.1299367695E-01     2.012954124        0.9870063230    
FOB,PFOB,DIAG,PSTEP=   -0.2258083063E-05   -0.2229118051E-05     672.1201680        0.3316612478E-08
J1,K1,R1,R2,RAT=   9   9   -0.2601578824E-02     2.002552343        0.9973984212    
FOB,PFOB,DIAG,PSTEP=    0.7488392741E-06    0.7468961171E-06     625.2003057       -0.1194680325E-08
J1,K1,R1,R2,RAT=  10  10    0.4774971574E-02     1.995207944        0.9952079442    
FOB,PFOB,DIAG,PSTEP=    0.1595019857E-05    0.1602672639E-05     604.4024366       -0.2651687406E-08
J1,K1,R1,R2,RAT=  11  11    0.6089100789E-03     1.999412246        0.9993910899    
FOB,PFOB,DIAG,PSTEP=   -0.1093671246E-05   -0.1094337592E-05     589.3635634        0.1856792792E-08
J1,K1,R1,R2,RAT= 109 109     2.000947021       -0.8972146596E-03    0.9991027853    
FOB,PFOB,DIAG,PSTEP=   -0.7551725602E-04    0.7544956325E-04     13.77756535       -0.5476126039E-05
J1,K1,R1,R2,RAT= 110 110     3.785987573       -0.1033515151        0.8966484849    
FOB,PFOB,DIAG,PSTEP=   -0.2402605375E-03    0.2274916376E-03     12.35482595       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3942413966         35.12797568        0.6057586034    
FOB,PFOB,DIAG,PSTEP=   -0.1847960819E-02   -0.1806941833E-02     10.40453536        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9048201106E-01     2.090230884        0.9095179889    
FOB,PFOB,DIAG,PSTEP=    0.1107876029E-04    0.1015940175E-04     9.581727498       -0.1060422305E-05
J1,K1,R1,R2,RAT= 113 113   -0.7431165724         219.8348636        0.2568834276    
FOB,PFOB,DIAG,PSTEP=    0.1071580457E-01    0.1064360252E-01     7.585413011       -0.1280894594E-04
J1,K1,R1,R2,RAT= 114 114    0.9974975228        -441.3525206        0.2502477200E-02
FOB,PFOB,DIAG,PSTEP=   -0.4173938954       -0.4155114523         4.717914302       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001      0.00000     -0.00001      0.00001     -0.00001 
     0.00001     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
    -0.00000     -0.00001     -0.00000     -0.00001     -0.00000      0.00003 
     0.00002     -0.00003      0.00003     -0.00003      0.00005      0.00000 
     0.00003     -0.00001     -0.00001     -0.00001      0.00001     -0.00002 
     0.00003     -0.00003      0.00001      0.00000      0.00004      0.00002 
     0.00000      0.00005      0.00004     -0.00003     -0.00003      0.00001 
     0.00003     -0.00002     -0.00007      0.00002     -0.00012      0.00007 
     0.00003     -0.00004      0.00004      0.00000      0.00012      0.00006 
    -0.00008     -0.00024     -0.00185      0.00001      0.01072     -0.41739 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4382850921
 Log product of positive Hessian eigenvalues =          520.2341045549
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7179143019
 Unscaled step for mode    7=        0.0000000015
 Unscaled step for mode    8=        0.0000000034
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000053
 Unscaled step for mode   13=        0.0000000020
 Unscaled step for mode   14=        0.0000000111
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000064
 Unscaled step for mode   17=       -0.0000000058
 Unscaled step for mode   18=       -0.0000000101
 Unscaled step for mode   19=        0.0000000251
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000166
 Unscaled step for mode   22=       -0.0000000054
 Unscaled step for mode   23=        0.0000000034
 Unscaled step for mode   24=       -0.0000000037
 Unscaled step for mode   25=        0.0000000369
 Unscaled step for mode   26=        0.0000000623
 Unscaled step for mode   27=        0.0000000324
 Unscaled step for mode   28=        0.0000000001
 Unscaled step for mode   29=        0.0000000017
 Unscaled step for mode   30=        0.0000000575
 Unscaled step for mode   31=        0.0000000179
 Unscaled step for mode   32=        0.0000000075
 Unscaled step for mode   33=       -0.0000000250
 Unscaled step for mode   34=       -0.0000000148
 Unscaled step for mode   35=       -0.0000000717
 Unscaled step for mode   36=       -0.0000000249
 Unscaled step for mode   37=        0.0000000385
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000573
 Unscaled step for mode   40=       -0.0000000412
 Unscaled step for mode   41=       -0.0000000639
 Unscaled step for mode   42=        0.0000000226
 Unscaled step for mode   43=       -0.0000000227
 Unscaled step for mode   44=        0.0000000455
 Unscaled step for mode   45=       -0.0000000151
 Unscaled step for mode   46=       -0.0000000552
 Unscaled step for mode   47=        0.0000001087
 Unscaled step for mode   48=       -0.0000000048
 Unscaled step for mode   49=        0.0000000698
 Unscaled step for mode   50=        0.0000000408
 Unscaled step for mode   51=        0.0000000491
 Unscaled step for mode   52=        0.0000000014
 Unscaled step for mode   53=        0.0000000476
 Unscaled step for mode   54=       -0.0000000414
 Unscaled step for mode   55=       -0.0000000953
 Unscaled step for mode   56=       -0.0000000323
 Unscaled step for mode   57=       -0.0000000250
 Unscaled step for mode   58=        0.0000000945
 Unscaled step for mode   59=       -0.0000000430
 Unscaled step for mode   60=        0.0000001009
 Unscaled step for mode   61=       -0.0000000900
 Unscaled step for mode   62=        0.0000002044
 Unscaled step for mode   63=        0.0000001423
 Unscaled step for mode   64=       -0.0000000665
 Unscaled step for mode   65=       -0.0000000004
 Unscaled step for mode   66=        0.0000001700
 Unscaled step for mode   67=        0.0000000177
 Unscaled step for mode   68=        0.0000000547
 Unscaled step for mode   69=        0.0000000166
 Unscaled step for mode   70=        0.0000001260
 Unscaled step for mode   71=        0.0000000170
 Unscaled step for mode   72=       -0.0000002912
 Unscaled step for mode   73=       -0.0000001464
 Unscaled step for mode   74=        0.0000002774
 Unscaled step for mode   75=       -0.0000003084
 Unscaled step for mode   76=        0.0000002758
 Unscaled step for mode   77=       -0.0000005692
 Unscaled step for mode   78=       -0.0000000249
 Unscaled step for mode   79=       -0.0000003242
 Unscaled step for mode   80=        0.0000001707
 Unscaled step for mode   81=        0.0000001788
 Unscaled step for mode   82=        0.0000001666
 Unscaled step for mode   83=       -0.0000001452
 Unscaled step for mode   84=        0.0000002966
 Unscaled step for mode   85=       -0.0000004619
 Unscaled step for mode   86=        0.0000004965
 Unscaled step for mode   87=       -0.0000002141
 Unscaled step for mode   88=       -0.0000000209
 Unscaled step for mode   89=       -0.0000006249
 Unscaled step for mode   90=       -0.0000003074
 Unscaled step for mode   91=       -0.0000000112
 Unscaled step for mode   92=       -0.0000008308
 Unscaled step for mode   93=       -0.0000007228
 Unscaled step for mode   94=        0.0000005482
 Unscaled step for mode   95=        0.0000006763
 Unscaled step for mode   96=       -0.0000002286
 Unscaled step for mode   97=       -0.0000006990
 Unscaled step for mode   98=        0.0000005734
 Unscaled step for mode   99=        0.0000019908
 Unscaled step for mode  100=       -0.0000004545
 Unscaled step for mode  101=        0.0000033154
 Unscaled step for mode  102=       -0.0000023957
 Unscaled step for mode  103=       -0.0000010623
 Unscaled step for mode  104=        0.0000014958
 Unscaled step for mode  105=       -0.0000015902
 Unscaled step for mode  106=       -0.0000000305
 Unscaled step for mode  107=       -0.0000062889
 Unscaled step for mode  108=       -0.0000034441
 Unscaled step for mode  109=        0.0000054812
 Unscaled step for mode  110=        0.0000194467
 Unscaled step for mode  111=        0.0001776111
 Unscaled step for mode  112=       -0.0000011562
 Unscaled step for mode  113=       -0.0014126829
 Unscaled step for mode  114=       -0.0877881860
 Largest modulus ratio of non-zero e/values=           153.7484339    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.728584E-16    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.167834E-15    0.100745E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.333392E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.120130E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.665268E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.109450E-15    0.973676E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.108574E-05    0.725372E+03  0.149680E-08 0.100000E-04    0.985333E+00
   8   -0.225808E-05    0.672120E+03  0.335964E-08 0.100000E-04    0.987006E+00
   9    0.748839E-06    0.625200E+03 -0.119776E-08 0.100000E-04    0.997398E+00
  10    0.159502E-05    0.604402E+03 -0.263900E-08 0.100000E-04    0.995208E+00
  11   -0.109367E-05    0.589364E+03  0.185568E-08 0.100000E-04    0.999391E+00
  12    0.298281E-05    0.566256E+03 -0.526761E-08 0.100000E-04    0.991081E+00
  13   -0.114757E-05    0.565142E+03  0.203059E-08 0.100000E-04    0.937891E+00
  14   -0.534209E-05    0.479898E+03  0.111317E-07 0.100000E-04    0.996420E+00
  15    0.184868E-05    0.468076E+03 -0.394952E-08 0.100000E-04    0.994983E+00
  16    0.298184E-05    0.462358E+03 -0.644921E-08 0.100000E-04    0.994604E+00
  17    0.257969E-05    0.441339E+03 -0.584514E-08 0.100000E-04    0.997927E+00
  18    0.435302E-05    0.430754E+03 -0.101056E-07 0.100000E-04    0.997227E+00
  19   -0.105669E-04    0.421104E+03  0.250933E-07 0.100000E-04    0.996305E+00
  20    0.896749E-05    0.406747E+03 -0.220469E-07 0.100000E-04    0.998982E+00
  21    0.661721E-05    0.397996E+03 -0.166263E-07 0.100000E-04    0.998451E+00
  22    0.211292E-05    0.388733E+03 -0.543542E-08 0.100000E-04    0.985628E+00
  23   -0.123353E-05    0.367199E+03  0.335929E-08 0.100000E-04    0.985592E+00
  24    0.133875E-05    0.362964E+03 -0.368838E-08 0.100000E-04    0.989961E+00
  25   -0.129948E-04    0.351831E+03  0.369347E-07 0.100000E-04    0.995637E+00
  26   -0.211571E-04    0.339824E+03  0.622590E-07 0.100000E-04    0.995339E+00
  27   -0.105161E-04    0.324721E+03  0.323851E-07 0.100000E-04    0.994803E+00
  28   -0.171084E-07    0.321712E+03  0.531794E-10 0.109000E-04    0.165628E+00
  29   -0.533243E-06    0.318815E+03  0.167257E-08 0.100000E-04    0.906547E+00
  30   -0.181848E-04    0.316238E+03  0.575035E-07 0.100000E-04    0.994554E+00
  31   -0.547039E-05    0.305023E+03  0.179343E-07 0.100000E-04    0.988437E+00
  32   -0.216600E-05    0.287670E+03  0.752943E-08 0.100000E-04    0.989751E+00
  33    0.697861E-05    0.279496E+03 -0.249686E-07 0.100000E-04    0.996609E+00
  34    0.402115E-05    0.270966E+03 -0.148401E-07 0.100000E-04    0.994851E+00
  35    0.190623E-04    0.265930E+03 -0.716816E-07 0.100000E-04    0.995852E+00
  36    0.656169E-05    0.263019E+03 -0.249476E-07 0.100000E-04    0.989735E+00
  37   -0.995359E-05    0.258206E+03  0.385490E-07 0.100000E-04    0.994178E+00
  38   -0.374582E-05    0.253591E+03  0.147711E-07 0.100000E-04    0.998148E+00
  39   -0.139171E-04    0.242978E+03  0.572772E-07 0.100000E-04    0.997032E+00
  40    0.980596E-05    0.238234E+03 -0.411611E-07 0.100000E-04    0.996186E+00
  41    0.150296E-04    0.235347E+03 -0.638613E-07 0.100000E-04    0.988968E+00
  42   -0.517008E-05    0.228694E+03  0.226070E-07 0.100000E-04    0.991662E+00
  43    0.506125E-05    0.222831E+03 -0.227134E-07 0.100000E-04    0.987975E+00
  44   -0.968213E-05    0.212843E+03  0.454896E-07 0.100000E-04    0.986518E+00
  45    0.318633E-05    0.211635E+03 -0.150557E-07 0.100000E-04    0.987457E+00
  46    0.115119E-04    0.208656E+03 -0.551718E-07 0.100000E-04    0.992129E+00
  47   -0.220878E-04    0.203194E+03  0.108703E-06 0.100000E-04    0.994918E+00
  48    0.951650E-06    0.198152E+03 -0.480264E-08 0.100000E-04    0.970535E+00
  49   -0.136418E-04    0.195518E+03  0.697725E-07 0.100000E-04    0.992779E+00
  50   -0.781901E-05    0.191609E+03  0.408072E-07 0.100000E-04    0.998569E+00
  51   -0.911379E-05    0.185617E+03  0.491001E-07 0.100000E-04    0.992634E+00
  52   -0.250982E-06    0.176760E+03  0.141990E-08 0.100000E-04    0.921172E+00
  53   -0.815028E-05    0.171065E+03  0.476443E-07 0.100000E-04    0.995845E+00
  54    0.694225E-05    0.167839E+03 -0.413626E-07 0.100000E-04    0.989205E+00
  55    0.157752E-04    0.165604E+03 -0.952584E-07 0.100000E-04    0.996292E+00
  56    0.517267E-05    0.160129E+03 -0.323032E-07 0.100000E-04    0.999851E+00
  57    0.383390E-05    0.153500E+03 -0.249765E-07 0.100000E-04    0.990962E+00
  58   -0.142643E-04    0.150962E+03  0.944891E-07 0.100000E-04    0.994589E+00
  59    0.641866E-05    0.149100E+03 -0.430494E-07 0.100000E-04    0.999373E+00
  60   -0.144154E-04    0.142919E+03  0.100864E-06 0.100000E-04    0.994224E+00
  61    0.123208E-04    0.136950E+03 -0.899652E-07 0.100000E-04    0.995178E+00
  62   -0.276313E-04    0.135210E+03  0.204359E-06 0.100000E-04    0.997977E+00
  63   -0.186320E-04    0.130889E+03  0.142350E-06 0.100000E-04    0.998501E+00
  64    0.849408E-05    0.127671E+03 -0.665310E-07 0.100000E-04    0.988108E+00
  65    0.448491E-07    0.126016E+03 -0.355899E-09 0.100000E-04    0.680329E+00
  66   -0.212802E-04    0.125203E+03  0.169966E-06 0.100000E-04    0.997353E+00
  67   -0.212009E-05    0.119507E+03  0.177402E-07 0.100000E-04    0.981612E+00
  68   -0.645642E-05    0.117963E+03  0.547328E-07 0.100000E-04    0.996255E+00
  69   -0.193507E-05    0.116727E+03  0.165778E-07 0.100000E-04    0.991708E+00
  70   -0.141003E-04    0.111913E+03  0.125993E-06 0.100000E-04    0.991482E+00
  71   -0.185331E-05    0.109234E+03  0.169664E-07 0.100000E-04    0.985550E+00
  72    0.306363E-04    0.105196E+03 -0.291231E-06 0.100000E-04    0.995467E+00
  73    0.150672E-04    0.102914E+03 -0.146405E-06 0.100000E-04    0.992601E+00
  74   -0.277679E-04    0.100102E+03  0.277397E-06 0.100000E-04    0.999077E+00
  75    0.298790E-04    0.968970E+02 -0.308359E-06 0.100000E-04    0.991482E+00
  76   -0.262315E-04    0.951179E+02  0.275779E-06 0.100000E-04    0.996347E+00
  77    0.520046E-04    0.913626E+02 -0.569211E-06 0.100000E-04    0.995338E+00
  78    0.225474E-05    0.907225E+02 -0.248532E-07 0.100000E-04    0.981326E+00
  79    0.289360E-04    0.892645E+02 -0.324160E-06 0.100000E-04    0.994481E+00
  80   -0.144460E-04    0.846364E+02  0.170683E-06 0.100000E-04    0.993975E+00
  81   -0.144652E-04    0.808998E+02  0.178804E-06 0.100000E-04    0.996431E+00
  82   -0.132330E-04    0.794378E+02  0.166583E-06 0.100000E-04    0.992863E+00
  83    0.114008E-04    0.785004E+02 -0.145232E-06 0.100000E-04    0.992873E+00
  84   -0.215860E-04    0.727841E+02  0.296575E-06 0.100000E-04    0.995920E+00
  85    0.331012E-04    0.716588E+02 -0.461928E-06 0.100000E-04    0.997795E+00
  86   -0.340190E-04    0.685164E+02  0.496509E-06 0.100000E-04    0.996206E+00
  87    0.145280E-04    0.678543E+02 -0.214105E-06 0.100000E-04    0.966918E+00
  88    0.132485E-05    0.633957E+02 -0.208981E-07 0.100000E-04    0.967833E+00
  89    0.383924E-04    0.614419E+02 -0.624857E-06 0.100000E-04    0.996434E+00
  90    0.183349E-04    0.596532E+02 -0.307358E-06 0.100000E-04    0.999451E+00
  91    0.661241E-06    0.588583E+02 -0.112345E-07 0.100000E-04    0.995211E+00
  92    0.464405E-04    0.558963E+02 -0.830834E-06 0.100000E-04    0.995230E+00
  93    0.385412E-04    0.533233E+02 -0.722783E-06 0.100000E-04    0.998799E+00
  94   -0.286299E-04    0.522278E+02  0.548174E-06 0.100000E-04    0.996425E+00
  95   -0.339854E-04    0.502546E+02  0.676264E-06 0.100000E-04    0.997924E+00
  96    0.109555E-04    0.479156E+02 -0.228642E-06 0.100000E-04    0.995709E+00
  97    0.302108E-04    0.432198E+02 -0.699004E-06 0.100000E-04    0.998625E+00
  98   -0.229786E-04    0.400748E+02  0.573393E-06 0.100000E-04    0.995235E+00
  99   -0.736897E-04    0.370154E+02  0.199079E-05 0.100000E-04    0.994627E+00
 100    0.163467E-04    0.359648E+02 -0.454520E-06 0.100000E-04    0.980175E+00
 101   -0.117632E-03    0.354806E+02  0.331538E-05 0.100000E-04    0.999521E+00
 102    0.692795E-04    0.289188E+02 -0.239566E-05 0.100000E-04    0.998172E+00
 103    0.305487E-04    0.287563E+02 -0.106233E-05 0.100000E-04    0.996252E+00
 104   -0.427550E-04    0.285839E+02  0.149577E-05 0.100000E-04    0.998878E+00
 105    0.366005E-04    0.230161E+02 -0.159021E-05 0.100000E-04    0.995490E+00
 106    0.668172E-06    0.219208E+02 -0.304812E-07 0.100000E-04    0.714396E+00
 107    0.124484E-03    0.197942E+02 -0.628890E-05 0.100000E-04    0.999339E+00
 108    0.578634E-04    0.168008E+02 -0.344408E-05 0.100000E-04    0.994708E+00
 109   -0.755173E-04    0.137776E+02  0.548118E-05 0.100000E-04    0.999103E+00
 110   -0.240261E-03    0.123548E+02  0.100000E-04 0.100000E-04    0.896648E+00
 111   -0.184796E-02    0.104045E+02  0.100000E-04 0.100000E-04    0.605759E+00
 112    0.110788E-04    0.958173E+01 -0.115624E-05 0.100000E-04    0.909518E+00
 113    0.107158E-01    0.758541E+01 -0.115396E-04 0.115396E-04    0.256883E+00
 114   -0.417394E+00    0.471791E+01 -0.400000E-03 0.400000E-03    0.250248E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8778818605E-01

 Beginning of optimization cycle  199.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3846517710
 potential> RMS force:                                               0.0392821726   |gradient|=.4194188310    
 Eigenvalues of the Hessian matrix:
   725.43238    672.13354    625.21569    604.40736    589.35739    566.28531 
   565.16976    479.91837    468.05326    462.34815    441.33852    430.74516 
   421.11143    406.75751    397.99156    388.73513    367.20252    362.95416 
   351.82283    339.78882    324.72784    321.70749    318.82951    316.21191 
   305.01781    287.67554    279.49032    270.96112    265.93379    263.02919 
   258.21391    253.59409    242.97060    238.22118    235.35736    228.69531 
   222.81177    212.84776    211.64008    208.64304    203.19741    198.14760 
   195.51838    191.60855    185.60708    176.74602    171.07055    167.83500 
   165.60213    160.12206    153.50081    150.96147    149.10237    142.92237 
   136.95088    135.21536    130.88782    127.67180    126.01835    125.20826 
   119.50862    117.96316    116.72942    111.90601    109.22306    105.19231 
   102.91580    100.09804     96.89105     95.11832     91.37240     90.71697 
    89.27423     84.63862     80.90005     79.44118     78.49842     72.78243 
    71.66245     68.50910     67.85254     63.39516     61.43224     59.65327 
    58.86073     55.89756     53.31918     52.22765     50.25354     47.91407 
    43.21590     40.07718     37.01513     35.95777     35.48753     28.91717 
    28.75563     28.57625     23.01329     21.91966     19.79799     16.80158 
    13.77723     12.35336     10.39246      9.58290      7.58440      4.71561 
overlap for current and previous eigenvector    109 is         0.9999989195
overlap for current and previous eigenvector    110 is         0.9999987266
overlap for current and previous eigenvector    111 is         0.9999895145
overlap for current and previous eigenvector    112 is         0.9999917206
overlap for current and previous eigenvector    113 is         0.9999982723
overlap for current and previous eigenvector    114 is         0.9999995865
J1,K1,R1,R2,RAT=   7   7   -0.1729016852E-01     2.017123534        0.9827098315    
FOB,PFOB,DIAG,PSTEP=   -0.1104509374E-05   -0.1085735264E-05     725.4323765        0.1496798003E-08
J1,K1,R1,R2,RAT=   8   8   -0.1457779250E-02     2.001417989        0.9985422208    
FOB,PFOB,DIAG,PSTEP=   -0.2261374916E-05   -0.2258083063E-05     672.1335402        0.3359641878E-08
J1,K1,R1,R2,RAT=   9   9    0.9232738230E-02     1.990718059        0.9907180591    
FOB,PFOB,DIAG,PSTEP=    0.7419252670E-06    0.7488392741E-06     625.2156868       -0.1197758970E-08
J1,K1,R1,R2,RAT=  10  10   -0.8270231355E-02     2.008253935        0.9917297686    
FOB,PFOB,DIAG,PSTEP=    0.1608211148E-05    0.1595019857E-05     604.4073615       -0.2639003023E-08
J1,K1,R1,R2,RAT=  11  11   -0.3802552426E-02     2.003823505        0.9961974476    
FOB,PFOB,DIAG,PSTEP=   -0.1097829945E-05   -0.1093671246E-05     589.3573890        0.1855681813E-08
J1,K1,R1,R2,RAT= 109 109    0.2170138871E-04     2.000026577        0.9999782986    
FOB,PFOB,DIAG,PSTEP=   -0.7551561723E-04   -0.7551725602E-04     13.77723278        0.5481175673E-05
J1,K1,R1,R2,RAT= 110 110   -0.1134432450         4.003242304        0.8865567550    
FOB,PFOB,DIAG,PSTEP=   -0.2542745956E-03   -0.2402605375E-03     12.35336498        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3906015323         35.95409517        0.6093984677    
FOB,PFOB,DIAG,PSTEP=   -0.1888553925E-02   -0.1847960819E-02     10.39245940        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7994401760E-02     2.007749795        0.9920055982    
FOB,PFOB,DIAG,PSTEP=    0.1116733919E-04    0.1107876029E-04     9.582899520       -0.1156238298E-05
J1,K1,R1,R2,RAT= 113 113   -0.9307370249         245.8048827        0.6926297509E-01
FOB,PFOB,DIAG,PSTEP=    0.1079726353E-01    0.1071580457E-01     7.584403548       -0.1153959093E-04
J1,K1,R1,R2,RAT= 114 114    0.9974895881        -443.5638555        0.2510411853E-02
FOB,PFOB,DIAG,PSTEP=   -0.4192754034       -0.4173938954         4.715607959       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001      0.00000     -0.00001      0.00001     -0.00001 
     0.00001     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
    -0.00000     -0.00001     -0.00000     -0.00001     -0.00000      0.00003 
     0.00002     -0.00003      0.00003     -0.00003     -0.00005      0.00000 
     0.00003     -0.00001     -0.00001     -0.00001      0.00001     -0.00002 
     0.00003     -0.00003      0.00001      0.00000      0.00004      0.00002 
     0.00000      0.00005      0.00004     -0.00003     -0.00003      0.00001 
     0.00003     -0.00002     -0.00007      0.00002     -0.00012      0.00007 
     0.00003     -0.00004      0.00004      0.00000      0.00012      0.00006 
    -0.00008     -0.00025     -0.00189      0.00001      0.01080     -0.41928 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4382536493
 Log product of positive Hessian eigenvalues =          520.2315276852
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7156079587
 Unscaled step for mode    7=        0.0000000015
 Unscaled step for mode    8=        0.0000000034
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000052
 Unscaled step for mode   13=        0.0000000021
 Unscaled step for mode   14=        0.0000000111
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000065
 Unscaled step for mode   17=       -0.0000000059
 Unscaled step for mode   18=       -0.0000000101
 Unscaled step for mode   19=        0.0000000252
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000167
 Unscaled step for mode   22=       -0.0000000055
 Unscaled step for mode   23=        0.0000000033
 Unscaled step for mode   24=       -0.0000000036
 Unscaled step for mode   25=        0.0000000371
 Unscaled step for mode   26=        0.0000000626
 Unscaled step for mode   27=        0.0000000325
 Unscaled step for mode   28=       -0.0000000002
 Unscaled step for mode   29=        0.0000000014
 Unscaled step for mode   30=        0.0000000577
 Unscaled step for mode   31=        0.0000000181
 Unscaled step for mode   32=        0.0000000076
 Unscaled step for mode   33=       -0.0000000251
 Unscaled step for mode   34=       -0.0000000150
 Unscaled step for mode   35=       -0.0000000719
 Unscaled step for mode   36=       -0.0000000252
 Unscaled step for mode   37=        0.0000000388
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000575
 Unscaled step for mode   40=       -0.0000000412
 Unscaled step for mode   41=       -0.0000000645
 Unscaled step for mode   42=        0.0000000227
 Unscaled step for mode   43=       -0.0000000229
 Unscaled step for mode   44=        0.0000000458
 Unscaled step for mode   45=       -0.0000000151
 Unscaled step for mode   46=       -0.0000000555
 Unscaled step for mode   47=        0.0000001091
 Unscaled step for mode   48=       -0.0000000049
 Unscaled step for mode   49=        0.0000000701
 Unscaled step for mode   50=        0.0000000411
 Unscaled step for mode   51=        0.0000000493
 Unscaled step for mode   52=        0.0000000015
 Unscaled step for mode   53=        0.0000000478
 Unscaled step for mode   54=       -0.0000000416
 Unscaled step for mode   55=       -0.0000000955
 Unscaled step for mode   56=       -0.0000000325
 Unscaled step for mode   57=       -0.0000000252
 Unscaled step for mode   58=        0.0000000951
 Unscaled step for mode   59=       -0.0000000428
 Unscaled step for mode   60=        0.0000001011
 Unscaled step for mode   61=       -0.0000000907
 Unscaled step for mode   62=        0.0000002050
 Unscaled step for mode   63=        0.0000001431
 Unscaled step for mode   64=       -0.0000000672
 Unscaled step for mode   65=       -0.0000000002
 Unscaled step for mode   66=        0.0000001708
 Unscaled step for mode   67=        0.0000000177
 Unscaled step for mode   68=        0.0000000550
 Unscaled step for mode   69=        0.0000000169
 Unscaled step for mode   70=        0.0000001265
 Unscaled step for mode   71=        0.0000000172
 Unscaled step for mode   72=       -0.0000002933
 Unscaled step for mode   73=       -0.0000001474
 Unscaled step for mode   74=        0.0000002783
 Unscaled step for mode   75=       -0.0000003107
 Unscaled step for mode   76=        0.0000002766
 Unscaled step for mode   77=        0.0000005711
 Unscaled step for mode   78=       -0.0000000247
 Unscaled step for mode   79=       -0.0000003233
 Unscaled step for mode   80=        0.0000001715
 Unscaled step for mode   81=        0.0000001796
 Unscaled step for mode   82=        0.0000001661
 Unscaled step for mode   83=       -0.0000001453
 Unscaled step for mode   84=        0.0000002989
 Unscaled step for mode   85=       -0.0000004646
 Unscaled step for mode   86=        0.0000004951
 Unscaled step for mode   87=       -0.0000002207
 Unscaled step for mode   88=       -0.0000000212
 Unscaled step for mode   89=       -0.0000006280
 Unscaled step for mode   90=       -0.0000003099
 Unscaled step for mode   91=       -0.0000000115
 Unscaled step for mode   92=       -0.0000008337
 Unscaled step for mode   93=       -0.0000007243
 Unscaled step for mode   94=        0.0000005521
 Unscaled step for mode   95=        0.0000006768
 Unscaled step for mode   96=       -0.0000002280
 Unscaled step for mode   97=       -0.0000007036
 Unscaled step for mode   98=        0.0000005767
 Unscaled step for mode   99=        0.0000020104
 Unscaled step for mode  100=       -0.0000004429
 Unscaled step for mode  101=        0.0000033189
 Unscaled step for mode  102=       -0.0000024081
 Unscaled step for mode  103=       -0.0000010692
 Unscaled step for mode  104=        0.0000015068
 Unscaled step for mode  105=       -0.0000015994
 Unscaled step for mode  106=       -0.0000000487
 Unscaled step for mode  107=       -0.0000063012
 Unscaled step for mode  108=       -0.0000034054
 Unscaled step for mode  109=        0.0000054812
 Unscaled step for mode  110=        0.0000205834
 Unscaled step for mode  111=        0.0001817235
 Unscaled step for mode  112=       -0.0000011653
 Unscaled step for mode  113=       -0.0014236112
 Unscaled step for mode  114=       -0.0882202810
 Largest modulus ratio of non-zero e/values=           153.8364476    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.891648E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.477049E-15    0.100744E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.516080E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.480085E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.245183E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.721482E-15    0.973678E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.110451E-05    0.725432E+03  0.152255E-08 0.100000E-04    0.982710E+00
   8   -0.226137E-05    0.672134E+03  0.336447E-08 0.100000E-04    0.998542E+00
   9    0.741925E-06    0.625216E+03 -0.118667E-08 0.100000E-04    0.990718E+00
  10    0.160821E-05    0.604407E+03 -0.266081E-08 0.100000E-04    0.991730E+00
  11   -0.109783E-05    0.589357E+03  0.186276E-08 0.100000E-04    0.996197E+00
  12    0.296070E-05    0.566285E+03 -0.522828E-08 0.100000E-04    0.992482E+00
  13   -0.118475E-05    0.565170E+03  0.209627E-08 0.100000E-04    0.967607E+00
  14   -0.533601E-05    0.479918E+03  0.111186E-07 0.100000E-04    0.998777E+00
  15    0.183895E-05    0.468053E+03 -0.392892E-08 0.100000E-04    0.994736E+00
  16    0.300999E-05    0.462348E+03 -0.651022E-08 0.100000E-04    0.990560E+00
  17    0.260865E-05    0.441339E+03 -0.591077E-08 0.100000E-04    0.988774E+00
  18    0.435930E-05    0.430745E+03 -0.101204E-07 0.100000E-04    0.998558E+00
  19   -0.106189E-04    0.421111E+03  0.252163E-07 0.100000E-04    0.995084E+00
  20    0.898150E-05    0.406758E+03 -0.220807E-07 0.100000E-04    0.998438E+00
  21    0.664024E-05    0.397992E+03 -0.166844E-07 0.100000E-04    0.996519E+00
  22    0.214914E-05    0.388735E+03 -0.552855E-08 0.100000E-04    0.982860E+00
  23   -0.123002E-05    0.367203E+03  0.334971E-08 0.100000E-04    0.997139E+00
  24    0.132420E-05    0.362954E+03 -0.364839E-08 0.100000E-04    0.989129E+00
  25   -0.130501E-04    0.351823E+03  0.370928E-07 0.100000E-04    0.995742E+00
  26   -0.212648E-04    0.339789E+03  0.625823E-07 0.100000E-04    0.994910E+00
  27   -0.105601E-04    0.324728E+03  0.325200E-07 0.100000E-04    0.995814E+00
  28    0.761395E-07    0.321707E+03 -0.236673E-09 0.100000E-04    0.245046E+01
  29   -0.455044E-06    0.318830E+03  0.142723E-08 0.100000E-04    0.853270E+00
  30   -0.182516E-04    0.316212E+03  0.577194E-07 0.100000E-04    0.996329E+00
  31   -0.550581E-05    0.305018E+03  0.180508E-07 0.100000E-04    0.993524E+00
  32   -0.219598E-05    0.287676E+03  0.763355E-08 0.100000E-04    0.986155E+00
  33    0.702470E-05    0.279490E+03 -0.251340E-07 0.100000E-04    0.993396E+00
  34    0.406418E-05    0.270961E+03 -0.149991E-07 0.100000E-04    0.989299E+00
  35    0.191091E-04    0.265934E+03 -0.718566E-07 0.100000E-04    0.997543E+00
  36    0.662926E-05    0.263029E+03 -0.252035E-07 0.100000E-04    0.989703E+00
  37   -0.100111E-04    0.258214E+03  0.387706E-07 0.100000E-04    0.994222E+00
  38   -0.373921E-05    0.253594E+03  0.147449E-07 0.100000E-04    0.998216E+00
  39   -0.139726E-04    0.242971E+03  0.575074E-07 0.100000E-04    0.996012E+00
  40    0.982184E-05    0.238221E+03 -0.412299E-07 0.100000E-04    0.998380E+00
  41    0.151867E-04    0.235357E+03 -0.645263E-07 0.100000E-04    0.989543E+00
  42   -0.519917E-05    0.228695E+03  0.227340E-07 0.100000E-04    0.994374E+00
  43    0.509732E-05    0.222812E+03 -0.228773E-07 0.100000E-04    0.992873E+00
  44   -0.974312E-05    0.212848E+03  0.457750E-07 0.100000E-04    0.993701E+00
  45    0.319295E-05    0.211640E+03 -0.150867E-07 0.100000E-04    0.997922E+00
  46    0.115721E-04    0.208643E+03 -0.554637E-07 0.100000E-04    0.994770E+00
  47   -0.221588E-04    0.203197E+03  0.109051E-06 0.100000E-04    0.996785E+00
  48    0.975240E-06    0.198148E+03 -0.492179E-08 0.100000E-04    0.975211E+00
  49   -0.137013E-04    0.195518E+03  0.700770E-07 0.100000E-04    0.995636E+00
  50   -0.788415E-05    0.191609E+03  0.411472E-07 0.100000E-04    0.991668E+00
  51   -0.914691E-05    0.185607E+03  0.492810E-07 0.100000E-04    0.996366E+00
  52   -0.256458E-06    0.176746E+03  0.145100E-08 0.100000E-04    0.978180E+00
  53   -0.817982E-05    0.171071E+03  0.478155E-07 0.100000E-04    0.996375E+00
  54    0.698875E-05    0.167835E+03 -0.416406E-07 0.100000E-04    0.993301E+00
  55    0.158193E-04    0.165602E+03 -0.955259E-07 0.100000E-04    0.997205E+00
  56    0.519728E-05    0.160122E+03 -0.324583E-07 0.100000E-04    0.995242E+00
  57    0.386743E-05    0.153501E+03 -0.251948E-07 0.100000E-04    0.991254E+00
  58   -0.143534E-04    0.150961E+03  0.950799E-07 0.100000E-04    0.993750E+00
  59    0.637705E-05    0.149102E+03 -0.427696E-07 0.100000E-04    0.993484E+00
  60   -0.144542E-04    0.142922E+03  0.101134E-06 0.100000E-04    0.997304E+00
  61    0.124269E-04    0.136951E+03 -0.907400E-07 0.100000E-04    0.991385E+00
  62   -0.277224E-04    0.135215E+03  0.205024E-06 0.100000E-04    0.996704E+00
  63   -0.187284E-04    0.130888E+03  0.143088E-06 0.100000E-04    0.994827E+00
  64    0.858180E-05    0.127672E+03 -0.672176E-07 0.100000E-04    0.989673E+00
  65    0.253303E-07    0.126018E+03 -0.201005E-09 0.100000E-04    0.564766E+00
  66   -0.213837E-04    0.125208E+03  0.170785E-06 0.100000E-04    0.995138E+00
  67   -0.211448E-05    0.119509E+03  0.176931E-07 0.100000E-04    0.997332E+00
  68   -0.649333E-05    0.117963E+03  0.550454E-07 0.100000E-04    0.994284E+00
  69   -0.197611E-05    0.116729E+03  0.169289E-07 0.100000E-04    0.978795E+00
  70   -0.141582E-04    0.111906E+03  0.126518E-06 0.100000E-04    0.995894E+00
  71   -0.188154E-05    0.109223E+03  0.172266E-07 0.100000E-04    0.984764E+00
  72    0.308539E-04    0.105192E+03 -0.293309E-06 0.100000E-04    0.992898E+00
  73    0.151681E-04    0.102916E+03 -0.147384E-06 0.100000E-04    0.993303E+00
  74   -0.278600E-04    0.100098E+03  0.278327E-06 0.100000E-04    0.996681E+00
  75    0.301015E-04    0.968911E+02 -0.310674E-06 0.100000E-04    0.992553E+00
  76   -0.263070E-04    0.951183E+02  0.276572E-06 0.100000E-04    0.997120E+00
  77   -0.521872E-04    0.913724E+02  0.571148E-06 0.100000E-04    0.996489E+00
  78    0.224113E-05    0.907170E+02 -0.247047E-07 0.100000E-04    0.993964E+00
  79    0.288600E-04    0.892742E+02 -0.323274E-06 0.100000E-04    0.997159E+00
  80   -0.145118E-04    0.846386E+02  0.171455E-06 0.100000E-04    0.995447E+00
  81   -0.145317E-04    0.809001E+02  0.179625E-06 0.100000E-04    0.995401E+00
  82   -0.131973E-04    0.794412E+02  0.166127E-06 0.100000E-04    0.997218E+00
  83    0.114077E-04    0.784984E+02 -0.145323E-06 0.100000E-04    0.999397E+00
  84   -0.217578E-04    0.727824E+02  0.298943E-06 0.100000E-04    0.992040E+00
  85    0.332936E-04    0.716625E+02 -0.464589E-06 0.100000E-04    0.994188E+00
  86   -0.339174E-04    0.685091E+02  0.495079E-06 0.100000E-04    0.997013E+00
  87    0.149733E-04    0.678525E+02 -0.220674E-06 0.100000E-04    0.969347E+00
  88    0.134450E-05    0.633952E+02 -0.212082E-07 0.100000E-04    0.985166E+00
  89    0.385804E-04    0.614322E+02 -0.628015E-06 0.100000E-04    0.995104E+00
  90    0.184875E-04    0.596533E+02 -0.309915E-06 0.100000E-04    0.991677E+00
  91    0.675592E-06    0.588607E+02 -0.114778E-07 0.100000E-04    0.978297E+00
  92    0.466018E-04    0.558976E+02 -0.833700E-06 0.100000E-04    0.996527E+00
  93    0.386194E-04    0.533192E+02 -0.724305E-06 0.100000E-04    0.997973E+00
  94   -0.288327E-04    0.522277E+02  0.552057E-06 0.100000E-04    0.992919E+00
  95   -0.340135E-04    0.502535E+02  0.676837E-06 0.100000E-04    0.999175E+00
  96    0.109240E-04    0.479141E+02 -0.227992E-06 0.100000E-04    0.997123E+00
  97    0.304053E-04    0.432159E+02 -0.703567E-06 0.100000E-04    0.993563E+00
  98   -0.231128E-04    0.400772E+02  0.576708E-06 0.100000E-04    0.994158E+00
  99   -0.744162E-04    0.370151E+02  0.201043E-05 0.100000E-04    0.990141E+00
 100    0.159258E-04    0.359578E+02 -0.442904E-06 0.100000E-04    0.974248E+00
 101   -0.117778E-03    0.354875E+02  0.331886E-05 0.100000E-04    0.998755E+00
 102    0.696343E-04    0.289172E+02 -0.240806E-05 0.100000E-04    0.994879E+00
 103    0.307455E-04    0.287556E+02 -0.106920E-05 0.100000E-04    0.993555E+00
 104   -0.430579E-04    0.285762E+02  0.150677E-05 0.100000E-04    0.992915E+00
 105    0.368076E-04    0.230133E+02 -0.159941E-05 0.100000E-04    0.994340E+00
 106    0.106653E-05    0.219197E+02 -0.486563E-07 0.100000E-04    0.403778E+00
 107    0.124751E-03    0.197980E+02 -0.630121E-05 0.100000E-04    0.997852E+00
 108    0.572168E-04    0.168016E+02 -0.340544E-05 0.100000E-04    0.988734E+00
 109   -0.755156E-04    0.137772E+02  0.548119E-05 0.100000E-04    0.999978E+00
 110   -0.254275E-03    0.123534E+02  0.100000E-04 0.100000E-04    0.886557E+00
 111   -0.188855E-02    0.103925E+02  0.100000E-04 0.100000E-04    0.609398E+00
 112    0.111673E-04    0.958290E+01 -0.116534E-05 0.100000E-04    0.992006E+00
 113    0.107973E-01    0.758440E+01 -0.125782E-04 0.125782E-04    0.692630E-01
 114   -0.419275E+00    0.471561E+01 -0.400000E-03 0.400000E-03    0.251041E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8822028100E-01

 Beginning of optimization cycle  200.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3844838405
 potential> RMS force:                                               0.0394584380   |gradient|=.4213008305    
 Eigenvalues of the Hessian matrix:
   725.49279    672.14679    625.23099    604.41228    589.35108    566.31521 
   565.19694    479.93888    468.03034    462.33882    441.33778    430.73612 
   421.11849    406.76811    397.98745    388.73767    367.20626    362.94437 
   351.81502    339.75390    324.73467    321.70342    318.84358    316.18556 
   305.01276    287.68065    279.48504    270.95660    265.93809    263.03930 
   258.22173    253.59673    242.96301    238.20884    235.36753    228.69616 
   222.79218    212.85271    211.64476    208.63035    203.20074    198.14369 
   195.51841    191.60840    185.59737    176.73215    171.07588    167.83122 
   165.60007    160.11546    153.50176    150.96112    149.10471    142.92543 
   136.95133    135.22081    130.88625    127.67263    126.02016    125.21364 
   119.51003    117.96372    116.73227    111.89873    109.21212    105.18871 
   102.91727    100.09446     96.88508     95.11874     91.38229     90.71152 
    89.28389     84.64082     80.90032     79.44452     78.49643     72.78082 
    71.66608     68.50192     67.85057     63.39466     61.42251     59.65339 
    58.86316     55.89880     53.31500     52.22753     50.25241     47.91249 
    43.21201     40.07956     37.01498     35.95060     35.49442     28.91562 
    28.75497     28.56851     23.01053     21.91850     19.80177     16.80232 
    13.77691     12.35192     10.38041      9.58405      7.58336      4.71327 
overlap for current and previous eigenvector    109 is         0.9999989301
overlap for current and previous eigenvector    110 is         0.9999987477
overlap for current and previous eigenvector    111 is         0.9999890120
overlap for current and previous eigenvector    112 is         0.9999911829
overlap for current and previous eigenvector    113 is         0.9999982477
overlap for current and previous eigenvector    114 is         0.9999995882
J1,K1,R1,R2,RAT=   7   7   -0.1441450477E-01     2.014247958        0.9855854952    
FOB,PFOB,DIAG,PSTEP=   -0.1120431656E-05   -0.1104509374E-05     725.4927909        0.1522553184E-08
J1,K1,R1,R2,RAT=   8   8   -0.1275151821E-01     2.012712102        0.9872484818    
FOB,PFOB,DIAG,PSTEP=   -0.2290211447E-05   -0.2261374916E-05     672.1467871        0.3364472654E-08
J1,K1,R1,R2,RAT=   9   9   -0.2214466999E-02     2.002165523        0.9977855330    
FOB,PFOB,DIAG,PSTEP=    0.7435682762E-06    0.7419252670E-06     625.2309875       -0.1186670908E-08
J1,K1,R1,R2,RAT=  10  10    0.4704284949E-02     1.995279441        0.9952794415    
FOB,PFOB,DIAG,PSTEP=    0.1600645603E-05    0.1608211148E-05     604.4122795       -0.2660806685E-08
J1,K1,R1,R2,RAT=  11  11    0.6038357150E-03     1.999417570        0.9993961643    
FOB,PFOB,DIAG,PSTEP=   -0.1097167043E-05   -0.1097829945E-05     589.3510812        0.1862757581E-08
J1,K1,R1,R2,RAT= 109 109   -0.8678568408E-03     2.000915142        0.9991321432    
FOB,PFOB,DIAG,PSTEP=   -0.7558115242E-04   -0.7551561723E-04     13.77690706        0.5481189034E-05
J1,K1,R1,R2,RAT= 110 110   -0.1158346114         4.233000850        0.8841653886    
FOB,PFOB,DIAG,PSTEP=   -0.2685823972E-03   -0.2542745956E-03     12.35192270        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4018216938         36.78872347        0.5981783062    
FOB,PFOB,DIAG,PSTEP=   -0.1930264645E-02   -0.1888553925E-02     10.38040522        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8997771979E-01     2.089737673        0.9100222802    
FOB,PFOB,DIAG,PSTEP=    0.1217227152E-04    0.1116733919E-04     9.584049832       -0.1165340319E-05
J1,K1,R1,R2,RAT= 113 113   -0.7720490100         227.1662267        0.2279509900    
FOB,PFOB,DIAG,PSTEP=    0.1087090515E-01    0.1079726353E-01     7.583357524       -0.1257815412E-04
J1,K1,R1,R2,RAT= 114 114    0.9974742496        -445.7789791        0.2525750412E-02
FOB,PFOB,DIAG,PSTEP=   -0.4211559511       -0.4192754034         4.713273807       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001     -0.00000     -0.00001     -0.00001     -0.00001 
     0.00001     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00001     -0.00000      0.00003 
     0.00002     -0.00003      0.00003     -0.00003     -0.00005      0.00000 
     0.00003     -0.00001     -0.00001     -0.00001      0.00001     -0.00002 
     0.00003     -0.00003      0.00002      0.00000      0.00004      0.00002 
     0.00000     -0.00005     -0.00004     -0.00003     -0.00003      0.00001 
     0.00003     -0.00002     -0.00007      0.00002      0.00012      0.00007 
    -0.00003     -0.00004     -0.00004     -0.00000      0.00012      0.00006 
    -0.00008     -0.00027     -0.00193      0.00001      0.01087     -0.42116 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4382236202
 Log product of positive Hessian eigenvalues =          520.2289321869
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7132738073
 Unscaled step for mode    7=        0.0000000015
 Unscaled step for mode    8=        0.0000000034
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000052
 Unscaled step for mode   13=        0.0000000022
 Unscaled step for mode   14=        0.0000000111
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000065
 Unscaled step for mode   17=       -0.0000000059
 Unscaled step for mode   18=       -0.0000000101
 Unscaled step for mode   19=        0.0000000253
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000167
 Unscaled step for mode   22=       -0.0000000056
 Unscaled step for mode   23=        0.0000000033
 Unscaled step for mode   24=       -0.0000000036
 Unscaled step for mode   25=        0.0000000373
 Unscaled step for mode   26=        0.0000000629
 Unscaled step for mode   27=        0.0000000327
 Unscaled step for mode   28=       -0.0000000005
 Unscaled step for mode   29=        0.0000000013
 Unscaled step for mode   30=        0.0000000580
 Unscaled step for mode   31=        0.0000000183
 Unscaled step for mode   32=        0.0000000077
 Unscaled step for mode   33=       -0.0000000252
 Unscaled step for mode   34=       -0.0000000151
 Unscaled step for mode   35=       -0.0000000721
 Unscaled step for mode   36=       -0.0000000255
 Unscaled step for mode   37=        0.0000000390
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000577
 Unscaled step for mode   40=       -0.0000000414
 Unscaled step for mode   41=       -0.0000000652
 Unscaled step for mode   42=        0.0000000229
 Unscaled step for mode   43=       -0.0000000232
 Unscaled step for mode   44=        0.0000000464
 Unscaled step for mode   45=       -0.0000000149
 Unscaled step for mode   46=       -0.0000000559
 Unscaled step for mode   47=        0.0000001096
 Unscaled step for mode   48=       -0.0000000051
 Unscaled step for mode   49=        0.0000000706
 Unscaled step for mode   50=        0.0000000411
 Unscaled step for mode   51=        0.0000000496
 Unscaled step for mode   52=        0.0000000016
 Unscaled step for mode   53=        0.0000000480
 Unscaled step for mode   54=       -0.0000000421
 Unscaled step for mode   55=       -0.0000000959
 Unscaled step for mode   56=       -0.0000000325
 Unscaled step for mode   57=        0.0000000254
 Unscaled step for mode   58=        0.0000000956
 Unscaled step for mode   59=        0.0000000427
 Unscaled step for mode   60=        0.0000001017
 Unscaled step for mode   61=       -0.0000000912
 Unscaled step for mode   62=        0.0000002054
 Unscaled step for mode   63=        0.0000001433
 Unscaled step for mode   64=       -0.0000000680
 Unscaled step for mode   65=       -0.0000000003
 Unscaled step for mode   66=        0.0000001712
 Unscaled step for mode   67=       -0.0000000180
 Unscaled step for mode   68=        0.0000000552
 Unscaled step for mode   69=       -0.0000000171
 Unscaled step for mode   70=        0.0000001276
 Unscaled step for mode   71=        0.0000000175
 Unscaled step for mode   72=       -0.0000002946
 Unscaled step for mode   73=       -0.0000001485
 Unscaled step for mode   74=        0.0000002786
 Unscaled step for mode   75=       -0.0000003133
 Unscaled step for mode   76=        0.0000002775
 Unscaled step for mode   77=        0.0000005737
 Unscaled step for mode   78=       -0.0000000243
 Unscaled step for mode   79=       -0.0000003215
 Unscaled step for mode   80=        0.0000001725
 Unscaled step for mode   81=        0.0000001803
 Unscaled step for mode   82=        0.0000001649
 Unscaled step for mode   83=       -0.0000001463
 Unscaled step for mode   84=        0.0000003002
 Unscaled step for mode   85=       -0.0000004656
 Unscaled step for mode   86=        0.0000004930
 Unscaled step for mode   87=       -0.0000002277
 Unscaled step for mode   88=       -0.0000000205
 Unscaled step for mode   89=       -0.0000006303
 Unscaled step for mode   90=       -0.0000003101
 Unscaled step for mode   91=       -0.0000000115
 Unscaled step for mode   92=        0.0000008376
 Unscaled step for mode   93=        0.0000007235
 Unscaled step for mode   94=        0.0000005540
 Unscaled step for mode   95=        0.0000006754
 Unscaled step for mode   96=       -0.0000002289
 Unscaled step for mode   97=       -0.0000007046
 Unscaled step for mode   98=        0.0000005794
 Unscaled step for mode   99=        0.0000020210
 Unscaled step for mode  100=       -0.0000004338
 Unscaled step for mode  101=       -0.0000033195
 Unscaled step for mode  102=       -0.0000024129
 Unscaled step for mode  103=        0.0000010710
 Unscaled step for mode  104=        0.0000015068
 Unscaled step for mode  105=        0.0000016067
 Unscaled step for mode  106=        0.0000000368
 Unscaled step for mode  107=       -0.0000063037
 Unscaled step for mode  108=       -0.0000033871
 Unscaled step for mode  109=        0.0000054861
 Unscaled step for mode  110=        0.0000217442
 Unscaled step for mode  111=        0.0001859527
 Unscaled step for mode  112=       -0.0000012701
 Unscaled step for mode  113=       -0.0014335184
 Unscaled step for mode  114=       -0.0886530155
 Largest modulus ratio of non-zero e/values=           153.9254498    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.906393E-16    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.704081E-15    0.100744E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.280808E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.490848E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.746798E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.267879E-15    0.973680E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.112043E-05    0.725493E+03  0.154437E-08 0.100000E-04    0.985585E+00
   8   -0.229021E-05    0.672147E+03  0.340731E-08 0.100000E-04    0.987248E+00
   9    0.743568E-06    0.625231E+03 -0.118927E-08 0.100000E-04    0.997786E+00
  10    0.160065E-05    0.604412E+03 -0.264827E-08 0.100000E-04    0.995279E+00
  11   -0.109717E-05    0.589351E+03  0.186165E-08 0.100000E-04    0.999396E+00
  12    0.293183E-05    0.566315E+03 -0.517704E-08 0.100000E-04    0.990146E+00
  13   -0.125079E-05    0.565197E+03  0.221301E-08 0.100000E-04    0.944264E+00
  14   -0.531685E-05    0.479939E+03  0.110782E-07 0.100000E-04    0.996323E+00
  15    0.184795E-05    0.468030E+03 -0.394835E-08 0.100000E-04    0.995106E+00
  16    0.302617E-05    0.462339E+03 -0.654534E-08 0.100000E-04    0.994625E+00
  17    0.261407E-05    0.441338E+03 -0.592305E-08 0.100000E-04    0.997923E+00
  18    0.437101E-05    0.430736E+03 -0.101478E-07 0.100000E-04    0.997314E+00
  19   -0.106578E-04    0.421118E+03  0.253083E-07 0.100000E-04    0.996334E+00
  20    0.897245E-05    0.406768E+03 -0.220579E-07 0.100000E-04    0.998941E+00
  21    0.665019E-05    0.397987E+03 -0.167095E-07 0.100000E-04    0.998503E+00
  22    0.217945E-05    0.388738E+03 -0.560647E-08 0.100000E-04    0.985899E+00
  23   -0.121185E-05    0.367206E+03  0.330020E-08 0.100000E-04    0.985210E+00
  24    0.131019E-05    0.362944E+03 -0.360988E-08 0.100000E-04    0.989419E+00
  25   -0.131064E-04    0.351815E+03  0.372538E-07 0.100000E-04    0.995684E+00
  26   -0.213628E-04    0.339754E+03  0.628774E-07 0.100000E-04    0.995387E+00
  27   -0.106145E-04    0.324735E+03  0.326867E-07 0.100000E-04    0.994852E+00
  28    0.163158E-06    0.321703E+03 -0.507168E-09 0.109000E-04    0.142892E+00
  29   -0.402261E-06    0.318844E+03  0.126163E-08 0.100000E-04    0.883923E+00
  30   -0.183485E-04    0.316186E+03  0.580308E-07 0.100000E-04    0.994688E+00
  31   -0.556873E-05    0.305013E+03  0.182574E-07 0.100000E-04    0.988572E+00
  32   -0.221832E-05    0.287681E+03  0.771105E-08 0.100000E-04    0.989829E+00
  33    0.704853E-05    0.279485E+03 -0.252197E-07 0.100000E-04    0.996608E+00
  34    0.408534E-05    0.270957E+03 -0.150775E-07 0.100000E-04    0.994793E+00
  35    0.191869E-04    0.265938E+03 -0.721482E-07 0.100000E-04    0.995926E+00
  36    0.669686E-05    0.263039E+03 -0.254595E-07 0.100000E-04    0.989804E+00
  37   -0.100689E-04    0.258222E+03  0.389933E-07 0.100000E-04    0.994224E+00
  38   -0.374538E-05    0.253597E+03  0.147690E-07 0.100000E-04    0.998350E+00
  39   -0.140136E-04    0.242963E+03  0.576778E-07 0.100000E-04    0.997068E+00
  40    0.985478E-05    0.238209E+03 -0.413703E-07 0.100000E-04    0.996647E+00
  41    0.153540E-04    0.235368E+03 -0.652341E-07 0.100000E-04    0.988987E+00
  42   -0.524227E-05    0.228696E+03  0.229224E-07 0.100000E-04    0.991711E+00
  43    0.515802E-05    0.222792E+03 -0.231517E-07 0.100000E-04    0.988090E+00
  44   -0.987177E-05    0.212853E+03  0.463784E-07 0.100000E-04    0.986795E+00
  45    0.315227E-05    0.211645E+03 -0.148942E-07 0.100000E-04    0.987216E+00
  46    0.116621E-04    0.208630E+03 -0.558982E-07 0.100000E-04    0.992226E+00
  47   -0.222695E-04    0.203201E+03  0.109594E-06 0.100000E-04    0.995004E+00
  48    0.100258E-05    0.198144E+03 -0.505986E-08 0.100000E-04    0.971965E+00
  49   -0.137992E-04    0.195518E+03  0.705772E-07 0.100000E-04    0.992862E+00
  50   -0.787290E-05    0.191608E+03  0.410885E-07 0.100000E-04    0.998573E+00
  51   -0.921347E-05    0.185597E+03  0.496422E-07 0.100000E-04    0.992723E+00
  52   -0.274991E-06    0.176732E+03  0.155598E-08 0.100000E-04    0.927727E+00
  53   -0.821341E-05    0.171076E+03  0.480103E-07 0.100000E-04    0.995894E+00
  54    0.706325E-05    0.167831E+03 -0.420854E-07 0.100000E-04    0.989341E+00
  55    0.158769E-04    0.165600E+03 -0.958747E-07 0.100000E-04    0.996361E+00
  56    0.519819E-05    0.160115E+03 -0.324652E-07 0.100000E-04    0.999826E+00
  57   -0.390193E-05    0.153502E+03  0.254195E-07 0.100000E-04    0.991079E+00
  58   -0.144307E-04    0.150961E+03  0.955918E-07 0.100000E-04    0.994618E+00
  59   -0.637087E-05    0.149105E+03  0.427275E-07 0.100000E-04    0.999000E+00
  60   -0.145362E-04    0.142925E+03  0.101705E-06 0.100000E-04    0.994327E+00
  61    0.124869E-04    0.136951E+03 -0.911777E-07 0.100000E-04    0.995172E+00
  62   -0.277771E-04    0.135221E+03  0.205420E-06 0.100000E-04    0.998026E+00
  63   -0.187560E-04    0.130886E+03  0.143300E-06 0.100000E-04    0.998528E+00
  64    0.868282E-05    0.127673E+03 -0.680084E-07 0.100000E-04    0.988229E+00
  65    0.341077E-07    0.126020E+03 -0.270653E-09 0.100000E-04    0.653486E+00
  66   -0.214395E-04    0.125214E+03  0.171223E-06 0.100000E-04    0.997391E+00
  67    0.215290E-05    0.119510E+03 -0.180144E-07 0.100000E-04    0.981829E+00
  68   -0.651735E-05    0.117964E+03  0.552487E-07 0.100000E-04    0.996301E+00
  69    0.199214E-05    0.116732E+03 -0.170659E-07 0.100000E-04    0.991884E+00
  70   -0.142772E-04    0.111899E+03  0.127590E-06 0.100000E-04    0.991591E+00
  71   -0.190841E-05    0.109212E+03  0.174743E-07 0.100000E-04    0.985719E+00
  72    0.309935E-04    0.105189E+03 -0.294647E-06 0.100000E-04    0.995475E+00
  73    0.152786E-04    0.102917E+03 -0.148456E-06 0.100000E-04    0.992713E+00
  74   -0.278843E-04    0.100094E+03  0.278580E-06 0.100000E-04    0.999129E+00
  75    0.303557E-04    0.968851E+02 -0.313317E-06 0.100000E-04    0.991555E+00
  76   -0.263999E-04    0.951187E+02  0.277547E-06 0.100000E-04    0.996469E+00
  77   -0.524238E-04    0.913823E+02  0.573676E-06 0.100000E-04    0.995466E+00
  78    0.220043E-05    0.907115E+02 -0.242575E-07 0.100000E-04    0.981837E+00
  79    0.287019E-04    0.892839E+02 -0.321468E-06 0.100000E-04    0.994305E+00
  80   -0.145976E-04    0.846408E+02  0.172465E-06 0.100000E-04    0.994083E+00
  81   -0.145832E-04    0.809003E+02  0.180261E-06 0.100000E-04    0.996459E+00
  82   -0.131015E-04    0.794445E+02  0.164914E-06 0.100000E-04    0.992660E+00
  83    0.114877E-04    0.784964E+02 -0.146347E-06 0.100000E-04    0.992980E+00
  84   -0.218461E-04    0.727808E+02  0.300163E-06 0.100000E-04    0.995941E+00
  85    0.333660E-04    0.716661E+02 -0.465576E-06 0.100000E-04    0.997825E+00
  86   -0.337687E-04    0.685019E+02  0.492960E-06 0.100000E-04    0.995616E+00
  87    0.154482E-04    0.678506E+02 -0.227680E-06 0.100000E-04    0.968280E+00
  88    0.129968E-05    0.633947E+02 -0.205015E-07 0.100000E-04    0.966667E+00
  89    0.387166E-04    0.614225E+02 -0.630332E-06 0.100000E-04    0.996468E+00
  90    0.184982E-04    0.596534E+02 -0.310095E-06 0.100000E-04    0.999418E+00
  91    0.678187E-06    0.588632E+02 -0.115214E-07 0.100000E-04    0.996160E+00
  92   -0.468194E-04    0.558988E+02  0.837574E-06 0.100000E-04    0.995331E+00
  93   -0.385716E-04    0.533150E+02  0.723467E-06 0.100000E-04    0.998764E+00
  94   -0.289352E-04    0.522275E+02  0.554021E-06 0.100000E-04    0.996445E+00
  95   -0.339410E-04    0.502524E+02  0.675409E-06 0.100000E-04    0.997868E+00
  96    0.109695E-04    0.479125E+02 -0.228949E-06 0.100000E-04    0.995833E+00
  97    0.304461E-04    0.432120E+02 -0.704576E-06 0.100000E-04    0.998656E+00
  98   -0.232224E-04    0.400796E+02  0.579408E-06 0.100000E-04    0.995259E+00
  99   -0.748070E-04    0.370150E+02  0.202099E-05 0.100000E-04    0.994749E+00
 100    0.155953E-04    0.359506E+02 -0.433799E-06 0.100000E-04    0.979242E+00
 101    0.117825E-03    0.354944E+02 -0.331953E-05 0.100000E-04    0.999605E+00
 102    0.697705E-04    0.289156E+02 -0.241290E-05 0.100000E-04    0.998044E+00
 103   -0.307955E-04    0.287550E+02  0.107096E-05 0.100000E-04    0.998374E+00
 104   -0.430474E-04    0.285685E+02  0.150681E-05 0.100000E-04    0.999756E+00
 105   -0.369713E-04    0.230105E+02  0.160671E-05 0.100000E-04    0.995553E+00
 106   -0.806745E-06    0.219185E+02  0.368066E-07 0.100000E-04    0.756408E+00
 107    0.124824E-03    0.198018E+02 -0.630370E-05 0.100000E-04    0.999413E+00
 108    0.569103E-04    0.168023E+02 -0.338705E-05 0.100000E-04    0.994557E+00
 109   -0.755812E-04    0.137769E+02  0.548608E-05 0.100000E-04    0.999132E+00
 110   -0.268582E-03    0.123519E+02  0.100000E-04 0.100000E-04    0.884165E+00
 111   -0.193026E-02    0.103804E+02  0.100000E-04 0.100000E-04    0.598178E+00
 112    0.121723E-04    0.958405E+01 -0.127006E-05 0.100000E-04    0.910022E+00
 113    0.108709E-01    0.758336E+01 -0.113317E-04 0.113317E-04    0.227951E+00
 114   -0.421156E+00    0.471327E+01 -0.400000E-03 0.400000E-03    0.252575E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8865301553E-01

 Beginning of optimization cycle  201.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3843151460
 potential> RMS force:                                               0.0396346363   |gradient|=.4231821135    
 Eigenvalues of the Hessian matrix:
   725.55325    672.16011    625.24628    604.41696    589.34483    566.34530 
   565.22382    479.95948    468.00744    462.32948    441.33705    430.72701 
   421.12549    406.77869    397.98333    388.74018    367.20998    362.93461 
   351.80713    339.71901    324.74148    321.69946    318.85769    316.15907 
   305.00763    287.68579    279.47974    270.95207    265.94242    263.04936 
   258.22946    253.59935    242.95543    238.19652    235.37756    228.69695 
   222.77256    212.85767    211.64941    208.61768    203.20404    198.13975 
   195.51838    191.60826    185.58764    176.71830    171.08125    167.82741 
   165.59797    160.10886    153.50273    150.96079    149.10703    142.92850 
   136.95177    135.22622    130.88471    127.67347    126.02195    125.21900 
   119.51145    117.96430    116.73513    111.89146    109.20121    105.18515 
   102.91875    100.09089     96.87908     95.11915     91.39220     90.70606 
    89.29351     84.64301     80.90059     79.44784     78.49446     72.77925 
    71.66976     68.49489     67.84847     63.39416     61.41282     59.65351 
    58.86560     55.90007     53.31083     52.22743     50.25129     47.91094 
    43.20812     40.08196     37.01494     35.94343     35.50134     28.91410 
    28.75435     28.56073     23.00778     21.91729     19.80560     16.80305 
    13.77659     12.35049     10.36839      9.58517      7.58230      4.71092 
overlap for current and previous eigenvector    109 is        -0.9999989429
overlap for current and previous eigenvector    110 is        -0.9999987641
overlap for current and previous eigenvector    111 is         0.9999884965
overlap for current and previous eigenvector    112 is        -0.9999906335
overlap for current and previous eigenvector    113 is        -0.9999982252
overlap for current and previous eigenvector    114 is         0.9999995906
J1,K1,R1,R2,RAT=   7   7   -0.1689670350E-01     2.016730041        0.9831032965    
FOB,PFOB,DIAG,PSTEP=   -0.1139364835E-05   -0.1120431656E-05     725.5532521        0.1544373245E-08
J1,K1,R1,R2,RAT=   8   8   -0.1534236607E-02     2.001494584        0.9984657634    
FOB,PFOB,DIAG,PSTEP=   -0.2293725243E-05   -0.2290211447E-05     672.1601134        0.3407308480E-08
J1,K1,R1,R2,RAT=   9   9    0.9249054012E-02     1.990702035        0.9907020353    
FOB,PFOB,DIAG,PSTEP=    0.7366908049E-06    0.7435682762E-06     625.2462781       -0.1189269712E-08
J1,K1,R1,R2,RAT=  10  10   -0.8194172400E-02     2.008178678        0.9918058276    
FOB,PFOB,DIAG,PSTEP=    0.1613761670E-05    0.1600645603E-05     604.4169620       -0.2648267842E-08
J1,K1,R1,R2,RAT=  11  11   -0.3753018531E-02     2.003774225        0.9962469815    
FOB,PFOB,DIAG,PSTEP=   -0.1101284687E-05   -0.1097167043E-05     589.3448322        0.1861652719E-08
J1,K1,R1,R2,RAT= 109 109     1.999997692        0.4810252487E-04    0.9999518975    
FOB,PFOB,DIAG,PSTEP=    0.7557751686E-04   -0.7558115242E-04     13.77659161        0.5486075511E-05
J1,K1,R1,R2,RAT= 110 110     4.475157777       -0.1258167562        0.8741832438    
FOB,PFOB,DIAG,PSTEP=    0.2841213793E-03   -0.2685823972E-03     12.35048693        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3981035719         37.63174357        0.6018964281    
FOB,PFOB,DIAG,PSTEP=   -0.1971541579E-02   -0.1930264645E-02     10.36839076        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.013498452       -0.1373150183E-01    0.9862684982    
FOB,PFOB,DIAG,PSTEP=   -0.1233943457E-04    0.1217227152E-04     9.585166743       -0.1270055116E-05
J1,K1,R1,R2,RAT= 113 113     254.0093013       -0.9625446809        0.3745531910E-01
FOB,PFOB,DIAG,PSTEP=   -0.1095360711E-01    0.1087090515E-01     7.582300526       -0.1133167038E-04
J1,K1,R1,R2,RAT= 114 114    0.9974661641        -447.9972401        0.2533835859E-02
FOB,PFOB,DIAG,PSTEP=   -0.4230355440       -0.4211559511         4.710919061       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00001     -0.00001      0.00001 
     0.00001      0.00003     -0.00002     -0.00001     -0.00000      0.00002 
    -0.00000     -0.00001      0.00000     -0.00001     -0.00000      0.00003 
     0.00002     -0.00003      0.00003     -0.00003      0.00005     -0.00000 
     0.00003     -0.00001     -0.00001     -0.00001      0.00001     -0.00002 
     0.00003      0.00003      0.00002      0.00000     -0.00004      0.00002 
     0.00000      0.00005     -0.00004      0.00003      0.00003      0.00001 
    -0.00003      0.00002     -0.00008      0.00002      0.00012      0.00007 
     0.00003      0.00004      0.00004     -0.00000      0.00013      0.00006 
     0.00008      0.00028     -0.00197     -0.00001     -0.01095     -0.42304 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4381899318
 Log product of positive Hessian eigenvalues =          520.2263368037
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7109190610
 Unscaled step for mode    7=        0.0000000016
 Unscaled step for mode    8=        0.0000000034
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000051
 Unscaled step for mode   13=        0.0000000023
 Unscaled step for mode   14=        0.0000000111
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000066
 Unscaled step for mode   17=       -0.0000000060
 Unscaled step for mode   18=       -0.0000000102
 Unscaled step for mode   19=        0.0000000254
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000168
 Unscaled step for mode   22=       -0.0000000057
 Unscaled step for mode   23=        0.0000000033
 Unscaled step for mode   24=       -0.0000000036
 Unscaled step for mode   25=        0.0000000374
 Unscaled step for mode   26=        0.0000000632
 Unscaled step for mode   27=        0.0000000328
 Unscaled step for mode   28=       -0.0000000008
 Unscaled step for mode   29=        0.0000000010
 Unscaled step for mode   30=        0.0000000582
 Unscaled step for mode   31=        0.0000000184
 Unscaled step for mode   32=        0.0000000078
 Unscaled step for mode   33=       -0.0000000254
 Unscaled step for mode   34=       -0.0000000152
 Unscaled step for mode   35=       -0.0000000723
 Unscaled step for mode   36=       -0.0000000257
 Unscaled step for mode   37=        0.0000000392
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000579
 Unscaled step for mode   40=       -0.0000000414
 Unscaled step for mode   41=       -0.0000000659
 Unscaled step for mode   42=        0.0000000231
 Unscaled step for mode   43=       -0.0000000233
 Unscaled step for mode   44=        0.0000000467
 Unscaled step for mode   45=       -0.0000000149
 Unscaled step for mode   46=       -0.0000000562
 Unscaled step for mode   47=        0.0000001099
 Unscaled step for mode   48=       -0.0000000052
 Unscaled step for mode   49=        0.0000000709
 Unscaled step for mode   50=        0.0000000414
 Unscaled step for mode   51=        0.0000000498
 Unscaled step for mode   52=        0.0000000016
 Unscaled step for mode   53=        0.0000000482
 Unscaled step for mode   54=        0.0000000424
 Unscaled step for mode   55=        0.0000000961
 Unscaled step for mode   56=       -0.0000000326
 Unscaled step for mode   57=       -0.0000000256
 Unscaled step for mode   58=        0.0000000962
 Unscaled step for mode   59=        0.0000000424
 Unscaled step for mode   60=       -0.0000001020
 Unscaled step for mode   61=       -0.0000000920
 Unscaled step for mode   62=       -0.0000002061
 Unscaled step for mode   63=        0.0000001440
 Unscaled step for mode   64=        0.0000000687
 Unscaled step for mode   65=        0.0000000001
 Unscaled step for mode   66=       -0.0000001720
 Unscaled step for mode   67=        0.0000000180
 Unscaled step for mode   68=        0.0000000556
 Unscaled step for mode   69=       -0.0000000174
 Unscaled step for mode   70=        0.0000001281
 Unscaled step for mode   71=        0.0000000177
 Unscaled step for mode   72=       -0.0000002967
 Unscaled step for mode   73=       -0.0000001494
 Unscaled step for mode   74=        0.0000002795
 Unscaled step for mode   75=       -0.0000003157
 Unscaled step for mode   76=        0.0000002783
 Unscaled step for mode   77=       -0.0000005756
 Unscaled step for mode   78=        0.0000000241
 Unscaled step for mode   79=       -0.0000003205
 Unscaled step for mode   80=        0.0000001732
 Unscaled step for mode   81=        0.0000001811
 Unscaled step for mode   82=        0.0000001644
 Unscaled step for mode   83=       -0.0000001464
 Unscaled step for mode   84=        0.0000003025
 Unscaled step for mode   85=       -0.0000004682
 Unscaled step for mode   86=       -0.0000004912
 Unscaled step for mode   87=       -0.0000002344
 Unscaled step for mode   88=       -0.0000000208
 Unscaled step for mode   89=        0.0000006335
 Unscaled step for mode   90=       -0.0000003126
 Unscaled step for mode   91=       -0.0000000118
 Unscaled step for mode   92=       -0.0000008404
 Unscaled step for mode   93=        0.0000007249
 Unscaled step for mode   94=       -0.0000005579
 Unscaled step for mode   95=       -0.0000006759
 Unscaled step for mode   96=       -0.0000002283
 Unscaled step for mode   97=        0.0000007091
 Unscaled step for mode   98=       -0.0000005827
 Unscaled step for mode   99=        0.0000020404
 Unscaled step for mode  100=       -0.0000004221
 Unscaled step for mode  101=       -0.0000033227
 Unscaled step for mode  102=       -0.0000024255
 Unscaled step for mode  103=       -0.0000010759
 Unscaled step for mode  104=       -0.0000015188
 Unscaled step for mode  105=       -0.0000016159
 Unscaled step for mode  106=        0.0000000551
 Unscaled step for mode  107=       -0.0000063152
 Unscaled step for mode  108=       -0.0000033482
 Unscaled step for mode  109=       -0.0000054859
 Unscaled step for mode  110=       -0.0000230049
 Unscaled step for mode  111=        0.0001901492
 Unscaled step for mode  112=        0.0000012873
 Unscaled step for mode  113=        0.0014446254
 Unscaled step for mode  114=       -0.0890862643
 Largest modulus ratio of non-zero e/values=           154.0152235    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.702780E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.754605E-16    0.100744E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.513221E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.240693E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.119262E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.109954E-14    0.973681E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.113936E-05    0.725553E+03  0.157034E-08 0.100000E-04    0.983103E+00
   8   -0.229373E-05    0.672160E+03  0.341247E-08 0.100000E-04    0.998466E+00
   9    0.736691E-06    0.625246E+03 -0.117824E-08 0.100000E-04    0.990702E+00
  10    0.161376E-05    0.604417E+03 -0.266995E-08 0.100000E-04    0.991806E+00
  11   -0.110128E-05    0.589345E+03  0.186866E-08 0.100000E-04    0.996247E+00
  12    0.290826E-05    0.566345E+03 -0.513513E-08 0.100000E-04    0.991852E+00
  13   -0.128726E-05    0.565224E+03  0.227744E-08 0.100000E-04    0.970837E+00
  14   -0.531030E-05    0.479959E+03  0.110640E-07 0.100000E-04    0.998682E+00
  15    0.183836E-05    0.468007E+03 -0.392806E-08 0.100000E-04    0.994812E+00
  16    0.305428E-05    0.462329E+03 -0.660629E-08 0.100000E-04    0.990709E+00
  17    0.264278E-05    0.441337E+03 -0.598813E-08 0.100000E-04    0.989015E+00
  18    0.437718E-05    0.430727E+03 -0.101623E-07 0.100000E-04    0.998589E+00
  19   -0.107097E-04    0.421125E+03  0.254312E-07 0.100000E-04    0.995127E+00
  20    0.898581E-05    0.406779E+03 -0.220902E-07 0.100000E-04    0.998511E+00
  21    0.667285E-05    0.397983E+03 -0.167667E-07 0.100000E-04    0.996592E+00
  22    0.221590E-05    0.388740E+03 -0.570021E-08 0.100000E-04    0.983274E+00
  23   -0.120824E-05    0.367210E+03  0.329034E-08 0.100000E-04    0.997001E+00
  24    0.129524E-05    0.362935E+03 -0.356881E-08 0.100000E-04    0.988595E+00
  25   -0.131618E-04    0.351807E+03  0.374119E-07 0.100000E-04    0.995777E+00
  26   -0.214705E-04    0.339719E+03  0.632008E-07 0.100000E-04    0.994960E+00
  27   -0.106587E-04    0.324741E+03  0.328221E-07 0.100000E-04    0.995836E+00
  28    0.257142E-06    0.321699E+03 -0.799323E-09 0.100000E-04    0.423960E+00
  29   -0.326616E-06    0.318858E+03  0.102433E-08 0.100000E-04    0.811869E+00
  30   -0.184138E-04    0.316159E+03  0.582423E-07 0.100000E-04    0.996439E+00
  31   -0.560488E-05    0.305008E+03  0.183762E-07 0.100000E-04    0.993509E+00
  32   -0.224852E-05    0.287686E+03  0.781590E-08 0.100000E-04    0.986385E+00
  33    0.709477E-05    0.279480E+03 -0.253856E-07 0.100000E-04    0.993439E+00
  34    0.412855E-05    0.270952E+03 -0.152372E-07 0.100000E-04    0.989423E+00
  35    0.192331E-04    0.265942E+03 -0.723207E-07 0.100000E-04    0.997592E+00
  36    0.676498E-05    0.263049E+03 -0.257175E-07 0.100000E-04    0.989829E+00
  37   -0.101268E-04    0.258229E+03  0.392162E-07 0.100000E-04    0.994255E+00
  38   -0.373837E-05    0.253599E+03  0.147412E-07 0.100000E-04    0.998106E+00
  39   -0.140687E-04    0.242955E+03  0.579066E-07 0.100000E-04    0.996064E+00
  40    0.986653E-05    0.238197E+03 -0.414218E-07 0.100000E-04    0.998807E+00
  41    0.155142E-04    0.235378E+03 -0.659119E-07 0.100000E-04    0.989567E+00
  42   -0.527166E-05    0.228697E+03  0.230508E-07 0.100000E-04    0.994393E+00
  43    0.519488E-05    0.222773E+03 -0.233192E-07 0.100000E-04    0.992853E+00
  44   -0.993378E-05    0.212858E+03  0.466686E-07 0.100000E-04    0.993719E+00
  45    0.315868E-05    0.211649E+03 -0.149241E-07 0.100000E-04    0.997965E+00
  46    0.117230E-04    0.208618E+03 -0.561936E-07 0.100000E-04    0.994776E+00
  47   -0.223401E-04    0.203204E+03  0.109939E-06 0.100000E-04    0.996832E+00
  48    0.102641E-05    0.198140E+03 -0.518025E-08 0.100000E-04    0.976228E+00
  49   -0.138589E-04    0.195518E+03  0.708827E-07 0.100000E-04    0.995672E+00
  50   -0.793773E-05    0.191608E+03  0.414269E-07 0.100000E-04    0.991765E+00
  51   -0.924688E-05    0.185588E+03  0.498248E-07 0.100000E-04    0.996374E+00
  52   -0.280650E-06    0.176718E+03  0.158812E-08 0.100000E-04    0.979421E+00
  53   -0.824323E-05    0.171081E+03  0.481831E-07 0.100000E-04    0.996369E+00
  54   -0.711040E-05    0.167827E+03  0.423673E-07 0.100000E-04    0.993324E+00
  55   -0.159205E-04    0.165598E+03  0.961396E-07 0.100000E-04    0.997250E+00
  56    0.522251E-05    0.160109E+03 -0.326185E-07 0.100000E-04    0.995320E+00
  57    0.393601E-05    0.153503E+03 -0.256413E-07 0.100000E-04    0.991266E+00
  58   -0.145198E-04    0.150961E+03  0.961829E-07 0.100000E-04    0.993819E+00
  59   -0.632756E-05    0.149107E+03  0.424363E-07 0.100000E-04    0.993169E+00
  60    0.145753E-04    0.142929E+03 -0.101976E-06 0.100000E-04    0.997314E+00
  61    0.125938E-04    0.136952E+03 -0.919582E-07 0.100000E-04    0.991437E+00
  62    0.278670E-04    0.135226E+03 -0.206077E-06 0.100000E-04    0.996764E+00
  63   -0.188516E-04    0.130885E+03  0.144032E-06 0.100000E-04    0.994905E+00
  64   -0.877191E-05    0.127673E+03  0.687058E-07 0.100000E-04    0.989740E+00
  65   -0.127936E-07    0.126022E+03  0.101519E-09 0.100000E-04    0.375075E+00
  66    0.215423E-04    0.125219E+03 -0.172037E-06 0.100000E-04    0.995202E+00
  67   -0.214764E-05    0.119511E+03  0.179702E-07 0.100000E-04    0.997531E+00
  68   -0.655418E-05    0.117964E+03  0.555607E-07 0.100000E-04    0.994348E+00
  69    0.203321E-05    0.116735E+03 -0.174173E-07 0.100000E-04    0.979387E+00
  70   -0.143354E-04    0.111891E+03  0.128119E-06 0.100000E-04    0.995923E+00
  71   -0.193688E-05    0.109201E+03  0.177368E-07 0.100000E-04    0.985081E+00
  72    0.312115E-04    0.105185E+03 -0.296729E-06 0.100000E-04    0.992967E+00
  73    0.153797E-04    0.102919E+03 -0.149435E-06 0.100000E-04    0.993385E+00
  74   -0.279746E-04    0.100091E+03  0.279492E-06 0.100000E-04    0.996762E+00
  75    0.305810E-04    0.968791E+02 -0.315661E-06 0.100000E-04    0.992579E+00
  76   -0.264729E-04    0.951192E+02  0.278313E-06 0.100000E-04    0.997234E+00
  77    0.526038E-04    0.913922E+02 -0.575583E-06 0.100000E-04    0.996567E+00
  78   -0.218790E-05    0.907061E+02  0.241207E-07 0.100000E-04    0.994304E+00
  79    0.286219E-04    0.892935E+02 -0.320537E-06 0.100000E-04    0.996997E+00
  80   -0.146630E-04    0.846430E+02  0.173233E-06 0.100000E-04    0.995524E+00
  81   -0.146494E-04    0.809006E+02  0.181079E-06 0.100000E-04    0.995459E+00
  82   -0.130638E-04    0.794478E+02  0.164432E-06 0.100000E-04    0.997035E+00
  83    0.114950E-04    0.784945E+02 -0.146443E-06 0.100000E-04    0.999371E+00
  84   -0.220178E-04    0.727793E+02  0.302529E-06 0.100000E-04    0.992138E+00
  85    0.335574E-04    0.716698E+02 -0.468222E-06 0.100000E-04    0.994266E+00
  86    0.336476E-04    0.684949E+02 -0.491243E-06 0.100000E-04    0.996414E+00
  87    0.159045E-04    0.678485E+02 -0.234413E-06 0.100000E-04    0.970461E+00
  88    0.131731E-05    0.633942E+02 -0.207796E-07 0.100000E-04    0.986441E+00
  89   -0.389040E-04    0.614128E+02  0.633484E-06 0.100000E-04    0.995158E+00
  90    0.186506E-04    0.596535E+02 -0.312650E-06 0.100000E-04    0.991760E+00
  91    0.691678E-06    0.588656E+02 -0.117501E-07 0.100000E-04    0.980107E+00
  92    0.469786E-04    0.559001E+02 -0.840404E-06 0.100000E-04    0.996599E+00
  93   -0.386471E-04    0.533108E+02  0.724939E-06 0.100000E-04    0.998044E+00
  94    0.291371E-04    0.522274E+02 -0.557889E-06 0.100000E-04    0.993021E+00
  95    0.339666E-04    0.502513E+02 -0.675935E-06 0.100000E-04    0.999244E+00
  96    0.109372E-04    0.479109E+02 -0.228282E-06 0.100000E-04    0.997052E+00
  97   -0.306397E-04    0.432081E+02  0.709118E-06 0.100000E-04    0.993643E+00
  98    0.233577E-04    0.400820E+02 -0.582748E-06 0.100000E-04    0.994176E+00
  99   -0.755271E-04    0.370149E+02  0.204045E-05 0.100000E-04    0.990375E+00
 100    0.151708E-04    0.359434E+02 -0.422074E-06 0.100000E-04    0.972772E+00
 101    0.117961E-03    0.355013E+02 -0.332271E-05 0.100000E-04    0.998847E+00
 102    0.701302E-04    0.289141E+02 -0.242547E-05 0.100000E-04    0.994844E+00
 103    0.309375E-04    0.287543E+02 -0.107592E-05 0.100000E-04    0.995390E+00
 104    0.433791E-04    0.285607E+02 -0.151884E-05 0.100000E-04    0.992291E+00
 105    0.371783E-04    0.230078E+02 -0.161590E-05 0.100000E-04    0.994401E+00
 106   -0.120718E-05    0.219173E+02  0.550791E-07 0.100000E-04    0.503609E+00
 107    0.125077E-03    0.198056E+02 -0.631521E-05 0.100000E-04    0.997980E+00
 108    0.562606E-04    0.168030E+02 -0.334824E-05 0.100000E-04    0.988497E+00
 109    0.755775E-04    0.137766E+02 -0.548594E-05 0.100000E-04    0.999952E+00
 110    0.284121E-03    0.123505E+02 -0.100000E-04 0.100000E-04    0.874183E+00
 111   -0.197154E-02    0.103684E+02  0.100000E-04 0.100000E-04    0.601896E+00
 112   -0.123394E-04    0.958517E+01  0.128735E-05 0.100000E-04    0.986268E+00
 113   -0.109536E-01    0.758230E+01  0.123515E-04 0.123515E-04    0.374553E-01
 114   -0.423036E+00    0.471092E+01 -0.400000E-03 0.400000E-03    0.253384E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8908626430E-01

 Beginning of optimization cycle  202.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3841457125
 potential> RMS force:                                               0.0398107252   |gradient|=.4250622281    
 Eigenvalues of the Hessian matrix:
   725.61369    672.17332    625.26149    604.42164    589.33845    566.37581 
   565.25029    479.98009    467.98452    462.32019    441.33635    430.71798 
   421.13250    406.78928    397.97922    388.74267    367.21376    362.92484 
   351.79933    339.68425    324.74834    321.69558    318.87179    316.13248 
   305.00250    287.69096    279.47443    270.94761    265.94683    263.05947 
   258.23733    253.60199    242.94795    238.18432    235.38754    228.69774 
   222.75293    212.86272    211.65407    208.60502    203.20737    198.13583 
   195.51834    191.60810    185.57789    176.70446    171.08664    167.82362 
   165.59586    160.10220    153.50379    150.96050    149.10922    142.93154 
   136.95223    135.23166    130.88314    127.67435    126.02369    125.22435 
   119.51287    117.96487    116.73796    111.88418    109.19025    105.18156 
   102.92023    100.08733     96.87301     95.11954     91.40218     90.70062 
    89.30308     84.64523     80.90085     79.45117     78.49248     72.77769 
    71.67341     68.48795     67.84620     63.39366     61.40307     59.65364 
    58.86801     55.90133     53.30662     52.22733     50.25014     47.90934 
    43.20426     40.08433     37.01498     35.93611     35.50820     28.91260 
    28.75375     28.55288     23.00509     21.91604     19.80943     16.80376 
    13.77628     12.34907     10.35640      9.58626      7.58121      4.70854 
overlap for current and previous eigenvector    109 is        -0.9999989532
overlap for current and previous eigenvector    110 is         0.9999987840
overlap for current and previous eigenvector    111 is         0.9999879078
overlap for current and previous eigenvector    112 is         0.9999900101
overlap for current and previous eigenvector    113 is        -0.9999981996
overlap for current and previous eigenvector    114 is         0.9999995923
J1,K1,R1,R2,RAT=   7   7   -0.1417041176E-01     2.014003835        0.9858295882    
FOB,PFOB,DIAG,PSTEP=   -0.1155511449E-05   -0.1139364835E-05     725.6136873        0.1570339368E-08
J1,K1,R1,R2,RAT=   8   8   -0.1251572612E-01     2.012476440        0.9874842739    
FOB,PFOB,DIAG,PSTEP=   -0.2322433444E-05   -0.2293725243E-05     672.1733168        0.3412468544E-08
J1,K1,R1,R2,RAT=   9   9   -0.1818234131E-02     2.001769575        0.9981817659    
FOB,PFOB,DIAG,PSTEP=    0.7380303138E-06    0.7366908049E-06     625.2614903       -0.1178241008E-08
J1,K1,R1,R2,RAT=  10  10    0.4632449967E-02     1.995352086        0.9953520860    
FOB,PFOB,DIAG,PSTEP=    0.1606285942E-05    0.1613761670E-05     604.4216354       -0.2669947688E-08
J1,K1,R1,R2,RAT=  11  11    0.6053698559E-03     1.999416280        0.9993946301    
FOB,PFOB,DIAG,PSTEP=   -0.1100618010E-05   -0.1101284687E-05     589.3384528        0.1868659276E-08
J1,K1,R1,R2,RAT= 109 109     2.000887655       -0.8428426607E-03    0.9991571573    
FOB,PFOB,DIAG,PSTEP=   -0.7564121539E-04    0.7557751686E-04     13.77628294       -0.5485937232E-05
J1,K1,R1,R2,RAT= 110 110   -0.1281424856         4.729645184        0.8718575144    
FOB,PFOB,DIAG,PSTEP=    0.2999457837E-03    0.2841213793E-03     12.34906933       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4092885467         38.48315770        0.5907114533    
FOB,PFOB,DIAG,PSTEP=   -0.2013929148E-02   -0.1971541579E-02     10.35640255        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8911972480E-01     2.088891779        0.9108802752    
FOB,PFOB,DIAG,PSTEP=   -0.1343924693E-04   -0.1233943457E-04     9.586259315        0.1287346887E-05
J1,K1,R1,R2,RAT= 113 113     234.7542604       -0.8013892112        0.1986107888    
FOB,PFOB,DIAG,PSTEP=    0.1102864874E-01   -0.1095360711E-01     7.581206822        0.1235152071E-04
J1,K1,R1,R2,RAT= 114 114    0.9974500302        -450.2193266        0.2549969829E-02
FOB,PFOB,DIAG,PSTEP=   -0.4249141561       -0.4230355440         4.708536762       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001     -0.00000      0.00001      0.00001     -0.00001 
     0.00001      0.00003     -0.00002     -0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00001      0.00000      0.00003 
    -0.00002      0.00003      0.00003      0.00003      0.00005      0.00000 
     0.00003      0.00001     -0.00001     -0.00001      0.00001     -0.00002 
    -0.00003     -0.00003     -0.00002     -0.00000      0.00004     -0.00002 
     0.00000      0.00005     -0.00004     -0.00003     -0.00003      0.00001 
     0.00003     -0.00002     -0.00008     -0.00001     -0.00012     -0.00007 
    -0.00003     -0.00004      0.00004      0.00000      0.00013     -0.00006 
    -0.00008      0.00030     -0.00201     -0.00001      0.01103     -0.42491 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4381575982
 Log product of positive Hessian eigenvalues =          520.2237230247
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7085367622
 Unscaled step for mode    7=        0.0000000016
 Unscaled step for mode    8=        0.0000000035
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000051
 Unscaled step for mode   13=        0.0000000024
 Unscaled step for mode   14=        0.0000000110
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000066
 Unscaled step for mode   17=       -0.0000000060
 Unscaled step for mode   18=       -0.0000000102
 Unscaled step for mode   19=        0.0000000255
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000168
 Unscaled step for mode   22=       -0.0000000058
 Unscaled step for mode   23=        0.0000000032
 Unscaled step for mode   24=       -0.0000000035
 Unscaled step for mode   25=        0.0000000376
 Unscaled step for mode   26=        0.0000000635
 Unscaled step for mode   27=        0.0000000330
 Unscaled step for mode   28=       -0.0000000011
 Unscaled step for mode   29=        0.0000000009
 Unscaled step for mode   30=        0.0000000585
 Unscaled step for mode   31=        0.0000000186
 Unscaled step for mode   32=        0.0000000079
 Unscaled step for mode   33=       -0.0000000255
 Unscaled step for mode   34=       -0.0000000153
 Unscaled step for mode   35=       -0.0000000726
 Unscaled step for mode   36=       -0.0000000260
 Unscaled step for mode   37=        0.0000000394
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000581
 Unscaled step for mode   40=       -0.0000000415
 Unscaled step for mode   41=       -0.0000000666
 Unscaled step for mode   42=        0.0000000232
 Unscaled step for mode   43=       -0.0000000236
 Unscaled step for mode   44=        0.0000000473
 Unscaled step for mode   45=       -0.0000000147
 Unscaled step for mode   46=       -0.0000000566
 Unscaled step for mode   47=        0.0000001105
 Unscaled step for mode   48=       -0.0000000053
 Unscaled step for mode   49=        0.0000000714
 Unscaled step for mode   50=        0.0000000414
 Unscaled step for mode   51=        0.0000000502
 Unscaled step for mode   52=        0.0000000017
 Unscaled step for mode   53=        0.0000000484
 Unscaled step for mode   54=        0.0000000428
 Unscaled step for mode   55=       -0.0000000965
 Unscaled step for mode   56=       -0.0000000326
 Unscaled step for mode   57=        0.0000000259
 Unscaled step for mode   58=       -0.0000000967
 Unscaled step for mode   59=       -0.0000000424
 Unscaled step for mode   60=        0.0000001025
 Unscaled step for mode   61=       -0.0000000924
 Unscaled step for mode   62=       -0.0000002065
 Unscaled step for mode   63=        0.0000001442
 Unscaled step for mode   64=        0.0000000695
 Unscaled step for mode   65=       -0.0000000002
 Unscaled step for mode   66=        0.0000001725
 Unscaled step for mode   67=       -0.0000000183
 Unscaled step for mode   68=        0.0000000558
 Unscaled step for mode   69=       -0.0000000176
 Unscaled step for mode   70=        0.0000001292
 Unscaled step for mode   71=       -0.0000000180
 Unscaled step for mode   72=       -0.0000002981
 Unscaled step for mode   73=        0.0000001505
 Unscaled step for mode   74=       -0.0000002797
 Unscaled step for mode   75=       -0.0000003183
 Unscaled step for mode   76=       -0.0000002793
 Unscaled step for mode   77=       -0.0000005781
 Unscaled step for mode   78=       -0.0000000237
 Unscaled step for mode   79=       -0.0000003187
 Unscaled step for mode   80=       -0.0000001742
 Unscaled step for mode   81=        0.0000001817
 Unscaled step for mode   82=        0.0000001632
 Unscaled step for mode   83=       -0.0000001475
 Unscaled step for mode   84=        0.0000003038
 Unscaled step for mode   85=        0.0000004692
 Unscaled step for mode   86=        0.0000004888
 Unscaled step for mode   87=        0.0000002415
 Unscaled step for mode   88=        0.0000000201
 Unscaled step for mode   89=       -0.0000006358
 Unscaled step for mode   90=        0.0000003128
 Unscaled step for mode   91=       -0.0000000118
 Unscaled step for mode   92=       -0.0000008442
 Unscaled step for mode   93=        0.0000007241
 Unscaled step for mode   94=        0.0000005599
 Unscaled step for mode   95=        0.0000006745
 Unscaled step for mode   96=       -0.0000002292
 Unscaled step for mode   97=       -0.0000007101
 Unscaled step for mode   98=        0.0000005855
 Unscaled step for mode   99=        0.0000020509
 Unscaled step for mode  100=        0.0000004130
 Unscaled step for mode  101=        0.0000033231
 Unscaled step for mode  102=        0.0000024306
 Unscaled step for mode  103=        0.0000010758
 Unscaled step for mode  104=        0.0000015200
 Unscaled step for mode  105=       -0.0000016232
 Unscaled step for mode  106=       -0.0000000436
 Unscaled step for mode  107=       -0.0000063172
 Unscaled step for mode  108=        0.0000033296
 Unscaled step for mode  109=        0.0000054907
 Unscaled step for mode  110=       -0.0000242889
 Unscaled step for mode  111=        0.0001944622
 Unscaled step for mode  112=        0.0000014019
 Unscaled step for mode  113=       -0.0014547322
 Unscaled step for mode  114=       -0.0895201578
 Largest modulus ratio of non-zero e/values=           154.1059832    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.276905E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.295337E-15    0.100744E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.145717E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.226381E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.102809E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.924770E-15    0.973683E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.115551E-05    0.725614E+03  0.159246E-08 0.100000E-04    0.985830E+00
   8   -0.232243E-05    0.672173E+03  0.345511E-08 0.100000E-04    0.987484E+00
   9    0.738030E-06    0.625261E+03 -0.118035E-08 0.100000E-04    0.998182E+00
  10    0.160629E-05    0.604422E+03 -0.265756E-08 0.100000E-04    0.995352E+00
  11   -0.110062E-05    0.589338E+03  0.186755E-08 0.100000E-04    0.999395E+00
  12    0.287717E-05    0.566376E+03 -0.507997E-08 0.100000E-04    0.989205E+00
  13   -0.135198E-05    0.565250E+03  0.239183E-08 0.100000E-04    0.949727E+00
  14   -0.529070E-05    0.479980E+03  0.110228E-07 0.100000E-04    0.996224E+00
  15    0.184713E-05    0.467985E+03 -0.394699E-08 0.100000E-04    0.995229E+00
  16    0.307063E-05    0.462320E+03 -0.664178E-08 0.100000E-04    0.994647E+00
  17    0.264827E-05    0.441336E+03 -0.600056E-08 0.100000E-04    0.997925E+00
  18    0.438855E-05    0.430718E+03 -0.101889E-07 0.100000E-04    0.997402E+00
  19   -0.107487E-04    0.421133E+03  0.255233E-07 0.100000E-04    0.996363E+00
  20    0.897638E-05    0.406789E+03 -0.220664E-07 0.100000E-04    0.998898E+00
  21    0.668249E-05    0.397979E+03 -0.167911E-07 0.100000E-04    0.998555E+00
  22    0.224658E-05    0.388743E+03 -0.577909E-08 0.100000E-04    0.986154E+00
  23   -0.118991E-05    0.367214E+03  0.324038E-08 0.100000E-04    0.984806E+00
  24    0.128078E-05    0.362925E+03 -0.352906E-08 0.100000E-04    0.988835E+00
  25   -0.132180E-04    0.351799E+03  0.375725E-07 0.100000E-04    0.995731E+00
  26   -0.215685E-04    0.339684E+03  0.634958E-07 0.100000E-04    0.995435E+00
  27   -0.107130E-04    0.324748E+03  0.329887E-07 0.100000E-04    0.994902E+00
  28    0.344976E-06    0.321696E+03 -0.107237E-08 0.100000E-04    0.658417E+00
  29   -0.275750E-06    0.318872E+03  0.864768E-09 0.100000E-04    0.844183E+00
  30   -0.185093E-04    0.316132E+03  0.585491E-07 0.100000E-04    0.994816E+00
  31   -0.566819E-05    0.305003E+03  0.185841E-07 0.100000E-04    0.988704E+00
  32   -0.227124E-05    0.287691E+03  0.789472E-08 0.100000E-04    0.989898E+00
  33    0.711885E-05    0.279474E+03 -0.254723E-07 0.100000E-04    0.996606E+00
  34    0.415028E-05    0.270948E+03 -0.153176E-07 0.100000E-04    0.994737E+00
  35    0.193101E-04    0.265947E+03 -0.726088E-07 0.100000E-04    0.996000E+00
  36    0.683349E-05    0.263059E+03 -0.259770E-07 0.100000E-04    0.989872E+00
  37   -0.101848E-04    0.258237E+03  0.394397E-07 0.100000E-04    0.994270E+00
  38   -0.374377E-05    0.253602E+03  0.147624E-07 0.100000E-04    0.998554E+00
  39   -0.141095E-04    0.242948E+03  0.580762E-07 0.100000E-04    0.997103E+00
  40    0.989488E-05    0.238184E+03 -0.415429E-07 0.100000E-04    0.997127E+00
  41    0.156847E-04    0.235388E+03 -0.666337E-07 0.100000E-04    0.989006E+00
  42   -0.531512E-05    0.228698E+03  0.232408E-07 0.100000E-04    0.991755E+00
  43    0.525616E-05    0.222753E+03 -0.235964E-07 0.100000E-04    0.988203E+00
  44   -0.100623E-04    0.212863E+03  0.472713E-07 0.100000E-04    0.987062E+00
  45    0.311772E-05    0.211654E+03 -0.147303E-07 0.100000E-04    0.986988E+00
  46    0.118130E-04    0.208605E+03 -0.566285E-07 0.100000E-04    0.992321E+00
  47   -0.224498E-04    0.203207E+03  0.110477E-06 0.100000E-04    0.995088E+00
  48    0.105385E-05    0.198136E+03 -0.531882E-08 0.100000E-04    0.973269E+00
  49   -0.139567E-04    0.195518E+03  0.713829E-07 0.100000E-04    0.992944E+00
  50   -0.792643E-05    0.191608E+03  0.413679E-07 0.100000E-04    0.998577E+00
  51   -0.931335E-05    0.185578E+03  0.501856E-07 0.100000E-04    0.992811E+00
  52   -0.299371E-06    0.176704E+03  0.169419E-08 0.100000E-04    0.933289E+00
  53   -0.827668E-05    0.171087E+03  0.483771E-07 0.100000E-04    0.995943E+00
  54   -0.718524E-05    0.167824E+03  0.428142E-07 0.100000E-04    0.989475E+00
  55    0.159774E-04    0.165596E+03 -0.964841E-07 0.100000E-04    0.996429E+00
  56    0.522358E-05    0.160102E+03 -0.326265E-07 0.100000E-04    0.999797E+00
  57   -0.397066E-05    0.153504E+03  0.258668E-07 0.100000E-04    0.991198E+00
  58    0.145975E-04    0.150961E+03 -0.966977E-07 0.100000E-04    0.994649E+00
  59    0.631900E-05    0.149109E+03 -0.423783E-07 0.100000E-04    0.998618E+00
  60   -0.146565E-04    0.142932E+03  0.102542E-06 0.100000E-04    0.994430E+00
  61    0.126547E-04    0.136952E+03 -0.924023E-07 0.100000E-04    0.995167E+00
  62    0.279207E-04    0.135232E+03 -0.206465E-06 0.100000E-04    0.998075E+00
  63   -0.188788E-04    0.130883E+03  0.144242E-06 0.100000E-04    0.998555E+00
  64   -0.887409E-05    0.127674E+03  0.695057E-07 0.100000E-04    0.988351E+00
  65    0.194066E-07    0.126024E+03 -0.153992E-09 0.100000E-04    0.483110E+00
  66   -0.215977E-04    0.125224E+03  0.172472E-06 0.100000E-04    0.997427E+00
  67    0.218621E-05    0.119513E+03 -0.182927E-07 0.100000E-04    0.982041E+00
  68   -0.657814E-05    0.117965E+03  0.557635E-07 0.100000E-04    0.996345E+00
  69    0.204936E-05    0.116738E+03 -0.175552E-07 0.100000E-04    0.992054E+00
  70   -0.144544E-04    0.111884E+03  0.129191E-06 0.100000E-04    0.991698E+00
  71    0.196422E-05    0.109190E+03 -0.179890E-07 0.100000E-04    0.985881E+00
  72    0.313525E-04    0.105182E+03 -0.298080E-06 0.100000E-04    0.995482E+00
  73   -0.154901E-04    0.102920E+03  0.150506E-06 0.100000E-04    0.992825E+00
  74    0.279976E-04    0.100087E+03 -0.279731E-06 0.100000E-04    0.999179E+00
  75    0.308370E-04    0.968730E+02 -0.318324E-06 0.100000E-04    0.991627E+00
  76    0.265631E-04    0.951195E+02 -0.279260E-06 0.100000E-04    0.996593E+00
  77    0.528356E-04    0.914022E+02 -0.578057E-06 0.100000E-04    0.995593E+00
  78    0.214906E-05    0.907006E+02 -0.236940E-07 0.100000E-04    0.982246E+00
  79    0.284600E-04    0.893031E+02 -0.318690E-06 0.100000E-04    0.994131E+00
  80    0.147481E-04    0.846452E+02 -0.174235E-06 0.100000E-04    0.994192E+00
  81   -0.147009E-04    0.809009E+02  0.181715E-06 0.100000E-04    0.996484E+00
  82   -0.129663E-04    0.794512E+02  0.163198E-06 0.100000E-04    0.992454E+00
  83    0.115744E-04    0.784925E+02 -0.147459E-06 0.100000E-04    0.993089E+00
  84   -0.221068E-04    0.727777E+02  0.303757E-06 0.100000E-04    0.995961E+00
  85   -0.336293E-04    0.716734E+02  0.469202E-06 0.100000E-04    0.997856E+00
  86   -0.334792E-04    0.684879E+02  0.488833E-06 0.100000E-04    0.994992E+00
  87   -0.163879E-04    0.678462E+02  0.241545E-06 0.100000E-04    0.969608E+00
  88   -0.127168E-05    0.633937E+02  0.200601E-07 0.100000E-04    0.965365E+00
  89    0.390401E-04    0.614031E+02 -0.635800E-06 0.100000E-04    0.996503E+00
  90   -0.186621E-04    0.596536E+02  0.312842E-06 0.100000E-04    0.999384E+00
  91    0.693697E-06    0.588680E+02 -0.117839E-07 0.100000E-04    0.997082E+00
  92    0.471933E-04    0.559013E+02 -0.844224E-06 0.100000E-04    0.995432E+00
  93   -0.385980E-04    0.533066E+02  0.724076E-06 0.100000E-04    0.998731E+00
  94   -0.292401E-04    0.522273E+02  0.559863E-06 0.100000E-04    0.996464E+00
  95   -0.338924E-04    0.502501E+02  0.674473E-06 0.100000E-04    0.997814E+00
  96    0.109814E-04    0.479093E+02 -0.229212E-06 0.100000E-04    0.995959E+00
  97    0.306799E-04    0.432043E+02 -0.710112E-06 0.100000E-04    0.998688E+00
  98   -0.234679E-04    0.400843E+02  0.585463E-06 0.100000E-04    0.995282E+00
  99   -0.759147E-04    0.370150E+02  0.205092E-05 0.100000E-04    0.994868E+00
 100   -0.148408E-04    0.359361E+02  0.412977E-06 0.100000E-04    0.978243E+00
 101   -0.117997E-03    0.355082E+02  0.332310E-05 0.100000E-04    0.999688E+00
 102   -0.702761E-04    0.289126E+02  0.243064E-05 0.100000E-04    0.997920E+00
 103   -0.309336E-04    0.287538E+02  0.107581E-05 0.100000E-04    0.999875E+00
 104   -0.433996E-04    0.285529E+02  0.151997E-05 0.100000E-04    0.999528E+00
 105    0.373413E-04    0.230051E+02 -0.162318E-05 0.100000E-04    0.995614E+00
 106    0.954815E-06    0.219160E+02 -0.435669E-07 0.100000E-04    0.790932E+00
 107    0.125140E-03    0.198094E+02 -0.631721E-05 0.100000E-04    0.999490E+00
 108   -0.559505E-04    0.168038E+02  0.332964E-05 0.100000E-04    0.994404E+00
 109   -0.756412E-04    0.137763E+02  0.549068E-05 0.100000E-04    0.999157E+00
 110    0.299946E-03    0.123491E+02 -0.100000E-04 0.100000E-04    0.871858E+00
 111   -0.201393E-02    0.103564E+02  0.100000E-04 0.100000E-04    0.590711E+00
 112   -0.134392E-04    0.958626E+01  0.140193E-05 0.100000E-04    0.910880E+00
 113    0.110286E-01    0.758121E+01 -0.134632E-04 0.134632E-04    0.198611E+00
 114   -0.424914E+00    0.470854E+01 -0.400000E-03 0.400000E-03    0.254997E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8952015782E-01

 Beginning of optimization cycle  203.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3839755413
 potential> RMS force:                                               0.0399867021   |gradient|=.4269411473    
 Eigenvalues of the Hessian matrix:
   725.67410    672.18640    625.27663    604.42630    589.33195    566.40674 
   565.27636    480.00072    467.96158    462.31095    441.33570    430.70906 
   421.13953    406.79987    397.97512    388.74514    367.21759    362.91506 
   351.79161    339.64964    324.75527    321.69178    318.88589    316.10578 
   304.99736    287.69615    279.46913    270.94322    265.95133    263.06963 
   258.24535    253.60466    242.94056    238.17224    235.39747    228.69853 
   222.73330    212.86788    211.65874    208.59239    203.21072    198.13193 
   195.51827    191.60793    185.56814    176.69061    171.09203    167.81985 
   165.59373    160.09548    153.50493    150.96025    149.11127    142.93455 
   136.95269    135.23712    130.88153    127.67529    126.02538    125.22966 
   119.51430    117.96543    116.74076    111.87690    109.17926    105.17795 
   102.92172    100.08378     96.86686     95.11990     91.41221     90.69522 
    89.31259     84.64747     80.90113     79.45450     78.49051     72.77613 
    71.67704     68.48108     67.84373     63.39316     61.39326     59.65377 
    58.87040     55.90256     53.30239     52.22723     50.24898     47.90771 
    43.20042     40.08669     37.01510     35.92865     35.51500     28.91113 
    28.75318     28.54497     23.00246     21.91475     19.81325     16.80445 
    13.77598     12.34767     10.34444      9.58733      7.58008      4.70613 
overlap for current and previous eigenvector    109 is        -0.9999989636
overlap for current and previous eigenvector    110 is        -0.9999988036
overlap for current and previous eigenvector    111 is        -0.9999872725
overlap for current and previous eigenvector    112 is        -0.9999893403
overlap for current and previous eigenvector    113 is         0.9999981731
overlap for current and previous eigenvector    114 is         0.9999995936
J1,K1,R1,R2,RAT=   7   7   -0.1387846087E-01     2.013711963        0.9861215391    
FOB,PFOB,DIAG,PSTEP=   -0.1171549504E-05   -0.1155511449E-05     725.6740990        0.1592460932E-08
J1,K1,R1,R2,RAT=   8   8   -0.1272211427E-01     2.012683174        0.9872778857    
FOB,PFOB,DIAG,PSTEP=   -0.2351980283E-05   -0.2322433444E-05     672.1864044        0.3455111035E-08
J1,K1,R1,R2,RAT=   9   9   -0.1834229575E-02     2.001785799        0.9981657704    
FOB,PFOB,DIAG,PSTEP=    0.7393840637E-06    0.7380303138E-06     625.2766314       -0.1180354660E-08
J1,K1,R1,R2,RAT=  10  10    0.4826022038E-02     1.995158530        0.9951585300    
FOB,PFOB,DIAG,PSTEP=    0.1598533911E-05    0.1606285942E-05     604.4263040       -0.2657558645E-08
J1,K1,R1,R2,RAT=  11  11    0.1349387200E-02     1.998672698        0.9986506128    
FOB,PFOB,DIAG,PSTEP=   -0.1099132867E-05   -0.1100618010E-05     589.3319450        0.1867548273E-08
J1,K1,R1,R2,RAT= 109 109     2.001140074       -0.1096178495E-02    0.9989038215    
FOB,PFOB,DIAG,PSTEP=    0.7572412984E-04   -0.7564121539E-04     13.77598058        0.5490683934E-05
J1,K1,R1,R2,RAT= 110 110     4.988019563       -0.1296808015        0.8703191985    
FOB,PFOB,DIAG,PSTEP=   -0.3159583392E-03    0.2999457837E-03     12.34766855       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     39.35962655       -0.4222207419        0.5777792581    
FOB,PFOB,DIAG,PSTEP=    0.2057605538E-02   -0.2013929148E-02     10.34444440        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.088073764       -0.8829634133E-01    0.9117036587    
FOB,PFOB,DIAG,PSTEP=    0.1462601533E-04   -0.1343924693E-04     9.587326277        0.1401928165E-05
J1,K1,R1,R2,RAT= 113 113   -0.6559286633         216.7942730        0.3440713367    
FOB,PFOB,DIAG,PSTEP=    0.1109558741E-01    0.1102864874E-01     7.580075845       -0.1346315757E-04
J1,K1,R1,R2,RAT= 114 114    0.9974315034        -452.4452295        0.2568496622E-02
FOB,PFOB,DIAG,PSTEP=   -0.4267917719       -0.4249141561         4.706127242       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002     -0.00001     -0.00000     -0.00001      0.00001     -0.00001 
    -0.00001     -0.00003      0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00001      0.00000      0.00003 
    -0.00002      0.00003      0.00003     -0.00003      0.00005      0.00000 
     0.00003     -0.00001     -0.00001     -0.00001      0.00001     -0.00002 
     0.00003     -0.00003     -0.00002     -0.00000     -0.00004      0.00002 
     0.00000      0.00005     -0.00004      0.00003      0.00003     -0.00001 
    -0.00003      0.00002      0.00008     -0.00001     -0.00012     -0.00007 
    -0.00003     -0.00004     -0.00004     -0.00000      0.00013     -0.00006 
     0.00008     -0.00032      0.00206      0.00001      0.01110     -0.42679 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4381265600
 Log product of positive Hessian eigenvalues =          520.2210901698
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7061272419
 Unscaled step for mode    7=        0.0000000016
 Unscaled step for mode    8=        0.0000000035
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000026
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000050
 Unscaled step for mode   13=        0.0000000025
 Unscaled step for mode   14=        0.0000000110
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000067
 Unscaled step for mode   17=       -0.0000000060
 Unscaled step for mode   18=       -0.0000000102
 Unscaled step for mode   19=        0.0000000256
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000168
 Unscaled step for mode   22=       -0.0000000059
 Unscaled step for mode   23=        0.0000000032
 Unscaled step for mode   24=       -0.0000000035
 Unscaled step for mode   25=        0.0000000377
 Unscaled step for mode   26=        0.0000000638
 Unscaled step for mode   27=        0.0000000332
 Unscaled step for mode   28=       -0.0000000013
 Unscaled step for mode   29=        0.0000000007
 Unscaled step for mode   30=        0.0000000589
 Unscaled step for mode   31=        0.0000000188
 Unscaled step for mode   32=        0.0000000080
 Unscaled step for mode   33=       -0.0000000256
 Unscaled step for mode   34=       -0.0000000154
 Unscaled step for mode   35=       -0.0000000729
 Unscaled step for mode   36=       -0.0000000262
 Unscaled step for mode   37=        0.0000000397
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000582
 Unscaled step for mode   40=       -0.0000000417
 Unscaled step for mode   41=       -0.0000000674
 Unscaled step for mode   42=        0.0000000234
 Unscaled step for mode   43=       -0.0000000239
 Unscaled step for mode   44=        0.0000000479
 Unscaled step for mode   45=       -0.0000000145
 Unscaled step for mode   46=       -0.0000000571
 Unscaled step for mode   47=        0.0000001110
 Unscaled step for mode   48=       -0.0000000055
 Unscaled step for mode   49=        0.0000000719
 Unscaled step for mode   50=        0.0000000413
 Unscaled step for mode   51=        0.0000000505
 Unscaled step for mode   52=        0.0000000018
 Unscaled step for mode   53=        0.0000000486
 Unscaled step for mode   54=        0.0000000433
 Unscaled step for mode   55=       -0.0000000968
 Unscaled step for mode   56=        0.0000000326
 Unscaled step for mode   57=        0.0000000261
 Unscaled step for mode   58=        0.0000000972
 Unscaled step for mode   59=       -0.0000000423
 Unscaled step for mode   60=        0.0000001031
 Unscaled step for mode   61=        0.0000000928
 Unscaled step for mode   62=        0.0000002069
 Unscaled step for mode   63=       -0.0000001444
 Unscaled step for mode   64=       -0.0000000703
 Unscaled step for mode   65=       -0.0000000002
 Unscaled step for mode   66=        0.0000001729
 Unscaled step for mode   67=       -0.0000000186
 Unscaled step for mode   68=       -0.0000000560
 Unscaled step for mode   69=        0.0000000177
 Unscaled step for mode   70=       -0.0000001303
 Unscaled step for mode   71=       -0.0000000182
 Unscaled step for mode   72=       -0.0000002994
 Unscaled step for mode   73=        0.0000001516
 Unscaled step for mode   74=       -0.0000002800
 Unscaled step for mode   75=       -0.0000003210
 Unscaled step for mode   76=        0.0000002802
 Unscaled step for mode   77=       -0.0000005805
 Unscaled step for mode   78=       -0.0000000233
 Unscaled step for mode   79=       -0.0000003168
 Unscaled step for mode   80=        0.0000001752
 Unscaled step for mode   81=        0.0000001824
 Unscaled step for mode   82=        0.0000001619
 Unscaled step for mode   83=       -0.0000001485
 Unscaled step for mode   84=        0.0000003050
 Unscaled step for mode   85=       -0.0000004701
 Unscaled step for mode   86=        0.0000004862
 Unscaled step for mode   87=        0.0000002487
 Unscaled step for mode   88=        0.0000000192
 Unscaled step for mode   89=        0.0000006379
 Unscaled step for mode   90=       -0.0000003129
 Unscaled step for mode   91=       -0.0000000118
 Unscaled step for mode   92=       -0.0000008481
 Unscaled step for mode   93=        0.0000007232
 Unscaled step for mode   94=       -0.0000005619
 Unscaled step for mode   95=       -0.0000006730
 Unscaled step for mode   96=        0.0000002302
 Unscaled step for mode   97=        0.0000007108
 Unscaled step for mode   98=       -0.0000005883
 Unscaled step for mode   99=       -0.0000020608
 Unscaled step for mode  100=        0.0000004047
 Unscaled step for mode  101=        0.0000033230
 Unscaled step for mode  102=        0.0000024356
 Unscaled step for mode  103=        0.0000010750
 Unscaled step for mode  104=        0.0000015212
 Unscaled step for mode  105=        0.0000016292
 Unscaled step for mode  106=        0.0000000307
 Unscaled step for mode  107=       -0.0000063178
 Unscaled step for mode  108=        0.0000033127
 Unscaled step for mode  109=       -0.0000054968
 Unscaled step for mode  110=        0.0000255885
 Unscaled step for mode  111=       -0.0001989092
 Unscaled step for mode  112=       -0.0000015256
 Unscaled step for mode  113=       -0.0014637800
 Unscaled step for mode  114=       -0.0899546945
 Largest modulus ratio of non-zero e/values=           154.1977218    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.329597E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.210118E-15    0.100743E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.427284E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.200794E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.142812E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.470490E-15    0.973685E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.117155E-05    0.725674E+03  0.161443E-08 0.100000E-04    0.986122E+00
   8   -0.235198E-05    0.672186E+03  0.349900E-08 0.100000E-04    0.987278E+00
   9    0.739384E-06    0.625277E+03 -0.118249E-08 0.100000E-04    0.998166E+00
  10    0.159853E-05    0.604426E+03 -0.264471E-08 0.100000E-04    0.995159E+00
  11   -0.109913E-05    0.589332E+03  0.186505E-08 0.100000E-04    0.998651E+00
  12    0.284472E-05    0.566407E+03 -0.502240E-08 0.100000E-04    0.988613E+00
  13   -0.141628E-05    0.565276E+03  0.250547E-08 0.100000E-04    0.952441E+00
  14   -0.527079E-05    0.480001E+03  0.109808E-07 0.100000E-04    0.996151E+00
  15    0.185681E-05    0.467962E+03 -0.396788E-08 0.100000E-04    0.994757E+00
  16    0.308677E-05    0.462311E+03 -0.667683E-08 0.100000E-04    0.994744E+00
  17    0.265255E-05    0.441336E+03 -0.601028E-08 0.100000E-04    0.998382E+00
  18    0.439884E-05    0.430709E+03 -0.102130E-07 0.100000E-04    0.997655E+00
  19   -0.107874E-04    0.421140E+03  0.256149E-07 0.100000E-04    0.996392E+00
  20    0.896424E-05    0.406800E+03 -0.220360E-07 0.100000E-04    0.998596E+00
  21    0.669098E-05    0.397975E+03 -0.168125E-07 0.100000E-04    0.998731E+00
  22    0.227774E-05    0.388745E+03 -0.585921E-08 0.100000E-04    0.986130E+00
  23   -0.117068E-05    0.367218E+03  0.318797E-08 0.100000E-04    0.983818E+00
  24    0.126449E-05    0.362915E+03 -0.348427E-08 0.100000E-04    0.987281E+00
  25   -0.132752E-04    0.351792E+03  0.377360E-07 0.100000E-04    0.995670E+00
  26   -0.216655E-04    0.339650E+03  0.637877E-07 0.100000E-04    0.995504E+00
  27   -0.107661E-04    0.324755E+03  0.331513E-07 0.100000E-04    0.995050E+00
  28    0.431078E-06    0.321692E+03 -0.134003E-08 0.100000E-04    0.750410E+00
  29   -0.226721E-06    0.318886E+03  0.710978E-09 0.100000E-04    0.822117E+00
  30   -0.186066E-04    0.316106E+03  0.588620E-07 0.100000E-04    0.994741E+00
  31   -0.573215E-05    0.304997E+03  0.187941E-07 0.100000E-04    0.988716E+00
  32   -0.229557E-05    0.287696E+03  0.797914E-08 0.100000E-04    0.989288E+00
  33    0.714287E-05    0.279469E+03 -0.255587E-07 0.100000E-04    0.996626E+00
  34    0.416976E-05    0.270943E+03 -0.153898E-07 0.100000E-04    0.995306E+00
  35    0.193900E-04    0.265951E+03 -0.729080E-07 0.100000E-04    0.995862E+00
  36    0.690329E-05    0.263070E+03 -0.262413E-07 0.100000E-04    0.989786E+00
  37   -0.102433E-04    0.258245E+03  0.396649E-07 0.100000E-04    0.994259E+00
  38   -0.374979E-05    0.253605E+03  0.147860E-07 0.100000E-04    0.998394E+00
  39   -0.141493E-04    0.242941E+03  0.582417E-07 0.100000E-04    0.997180E+00
  40    0.992196E-05    0.238172E+03 -0.416588E-07 0.100000E-04    0.997263E+00
  41    0.158589E-04    0.235397E+03 -0.673706E-07 0.100000E-04    0.988898E+00
  42   -0.536247E-05    0.228699E+03  0.234478E-07 0.100000E-04    0.991091E+00
  43    0.531960E-05    0.222733E+03 -0.238833E-07 0.100000E-04    0.987929E+00
  44   -0.101948E-04    0.212868E+03  0.478927E-07 0.100000E-04    0.986830E+00
  45    0.307509E-05    0.211659E+03 -0.145285E-07 0.100000E-04    0.986283E+00
  46    0.119043E-04    0.208592E+03 -0.570697E-07 0.100000E-04    0.992270E+00
  47   -0.225611E-04    0.203211E+03  0.111023E-06 0.100000E-04    0.995044E+00
  48    0.108248E-05    0.198132E+03 -0.546341E-08 0.100000E-04    0.972836E+00
  49   -0.140553E-04    0.195518E+03  0.718876E-07 0.100000E-04    0.992931E+00
  50   -0.790975E-05    0.191608E+03  0.412809E-07 0.100000E-04    0.997896E+00
  51   -0.938028E-05    0.185568E+03  0.505490E-07 0.100000E-04    0.992813E+00
  52   -0.318497E-06    0.176691E+03  0.180257E-08 0.100000E-04    0.936108E+00
  53   -0.830936E-05    0.171092E+03  0.485666E-07 0.100000E-04    0.996051E+00
  54   -0.725995E-05    0.167820E+03  0.432604E-07 0.100000E-04    0.989601E+00
  55    0.160374E-04    0.165594E+03 -0.968481E-07 0.100000E-04    0.996241E+00
  56   -0.522529E-05    0.160095E+03  0.326386E-07 0.100000E-04    0.999672E+00
  57   -0.400391E-05    0.153505E+03  0.260833E-07 0.100000E-04    0.991626E+00
  58   -0.146753E-04    0.150960E+03  0.972127E-07 0.100000E-04    0.994676E+00
  59    0.631043E-05    0.149111E+03 -0.423203E-07 0.100000E-04    0.998617E+00
  60   -0.147375E-04    0.142935E+03  0.103107E-06 0.100000E-04    0.994472E+00
  61   -0.127135E-04    0.136953E+03  0.928311E-07 0.100000E-04    0.995356E+00
  62   -0.279742E-04    0.135237E+03  0.206853E-06 0.100000E-04    0.998083E+00
  63    0.189015E-04    0.130882E+03 -0.144417E-06 0.100000E-04    0.998796E+00
  64    0.897497E-05    0.127675E+03 -0.702952E-07 0.100000E-04    0.988633E+00
  65    0.256078E-07    0.126025E+03 -0.203195E-09 0.100000E-04    0.680465E+00
  66   -0.216532E-04    0.125230E+03  0.172908E-06 0.100000E-04    0.997434E+00
  67    0.222742E-05    0.119514E+03 -0.186373E-07 0.100000E-04    0.981149E+00
  68    0.660404E-05    0.117965E+03 -0.559828E-07 0.100000E-04    0.996063E+00
  69   -0.206469E-05    0.116741E+03  0.176861E-07 0.100000E-04    0.992519E+00
  70    0.145786E-04    0.111877E+03 -0.130309E-06 0.100000E-04    0.991406E+00
  71    0.199229E-05    0.109179E+03 -0.182479E-07 0.100000E-04    0.985709E+00
  72    0.314890E-04    0.105178E+03 -0.299388E-06 0.100000E-04    0.995646E+00
  73   -0.156012E-04    0.102922E+03  0.151583E-06 0.100000E-04    0.992826E+00
  74    0.280197E-04    0.100084E+03 -0.279962E-06 0.100000E-04    0.999210E+00
  75    0.310943E-04    0.968669E+02 -0.321000E-06 0.100000E-04    0.991657E+00
  76   -0.266529E-04    0.951199E+02  0.280203E-06 0.100000E-04    0.996620E+00
  77    0.530651E-04    0.914122E+02 -0.580503E-06 0.100000E-04    0.995658E+00
  78    0.211055E-05    0.906952E+02 -0.232708E-07 0.100000E-04    0.982081E+00
  79    0.282950E-04    0.893126E+02 -0.316809E-06 0.100000E-04    0.993990E+00
  80   -0.148331E-04    0.846475E+02  0.175234E-06 0.100000E-04    0.994237E+00
  81   -0.147530E-04    0.809011E+02  0.182358E-06 0.100000E-04    0.996456E+00
  82   -0.128670E-04    0.794545E+02  0.161942E-06 0.100000E-04    0.992263E+00
  83    0.116558E-04    0.784905E+02 -0.148499E-06 0.100000E-04    0.992970E+00
  84   -0.221936E-04    0.727761E+02  0.304958E-06 0.100000E-04    0.996070E+00
  85    0.336937E-04    0.716770E+02 -0.470076E-06 0.100000E-04    0.998087E+00
  86   -0.332981E-04    0.684811E+02  0.486238E-06 0.100000E-04    0.994591E+00
  87   -0.168712E-04    0.678437E+02  0.248678E-06 0.100000E-04    0.970505E+00
  88   -0.121953E-05    0.633932E+02  0.192376E-07 0.100000E-04    0.958989E+00
  89   -0.391643E-04    0.613933E+02  0.637925E-06 0.100000E-04    0.996818E+00
  90    0.186671E-04    0.596538E+02 -0.312925E-06 0.100000E-04    0.999732E+00
  91    0.695898E-06    0.588704E+02 -0.118209E-07 0.100000E-04    0.996827E+00
  92    0.474096E-04    0.559026E+02 -0.848076E-06 0.100000E-04    0.995416E+00
  93   -0.385462E-04    0.533024E+02  0.723160E-06 0.100000E-04    0.998657E+00
  94    0.293450E-04    0.522272E+02 -0.561872E-06 0.100000E-04    0.996412E+00
  95    0.338172E-04    0.502490E+02 -0.672994E-06 0.100000E-04    0.997783E+00
  96   -0.110292E-04    0.479077E+02  0.230217E-06 0.100000E-04    0.995649E+00
  97   -0.307059E-04    0.432004E+02  0.710778E-06 0.100000E-04    0.999152E+00
  98    0.235812E-04    0.400867E+02 -0.588255E-06 0.100000E-04    0.995172E+00
  99    0.762808E-04    0.370151E+02 -0.206080E-05 0.100000E-04    0.995177E+00
 100   -0.145401E-04    0.359287E+02  0.404695E-06 0.100000E-04    0.979739E+00
 101   -0.118017E-03    0.355150E+02  0.332303E-05 0.100000E-04    0.999786E+00
 102   -0.704163E-04    0.289111E+02  0.243561E-05 0.100000E-04    0.998004E+00
 103   -0.309083E-04    0.287532E+02  0.107495E-05 0.100000E-04    0.999180E+00
 104   -0.434236E-04    0.285450E+02  0.152123E-05 0.100000E-04    0.999448E+00
 105   -0.374745E-04    0.230025E+02  0.162915E-05 0.100000E-04    0.996431E+00
 106   -0.672785E-06    0.219147E+02  0.307001E-07 0.100000E-04    0.704607E+00
 107    0.125177E-03    0.198132E+02 -0.631784E-05 0.100000E-04    0.999707E+00
 108   -0.556687E-04    0.168044E+02  0.331273E-05 0.100000E-04    0.994881E+00
 109    0.757241E-04    0.137760E+02 -0.549682E-05 0.100000E-04    0.998904E+00
 110   -0.315958E-03    0.123477E+02  0.100000E-04 0.100000E-04    0.870319E+00
 111    0.205761E-02    0.103444E+02 -0.100000E-04 0.100000E-04    0.577779E+00
 112    0.146260E-04    0.958733E+01 -0.152556E-05 0.100000E-04    0.911704E+00
 113    0.110956E-01    0.758008E+01 -0.121290E-04 0.121290E-04    0.344071E+00
 114   -0.426792E+00    0.470613E+01 -0.400000E-03 0.400000E-03    0.256850E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.8995469446E-01

 Beginning of optimization cycle  204.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3838046062
 potential> RMS force:                                               0.0401626110   |gradient|=.4288193401    
 Eigenvalues of the Hessian matrix:
   725.73456    672.19958    625.29177    604.43073    589.32551    566.43786 
   565.30213    480.02143    467.93867    462.30169    441.33505    430.70005 
   421.14649    406.81042    397.97100    388.74759    367.22140    362.90531 
   351.78381    339.61505    324.76217    321.68808    318.90002    316.07897 
   304.99215    287.70137    279.46380    270.93881    265.95585    263.07974 
   258.25326    253.60731    242.93318    238.16018    235.40725    228.69925 
   222.71365    212.87305    211.66338    208.57977    203.21404    198.12801 
   195.51815    191.60777    185.55835    176.67678    171.09746    167.81606 
   165.59156    160.08876    153.50609    150.96004    149.11331    142.93759 
   136.95315    135.24255    130.87995    127.67623    126.02704    125.23496 
   119.51574    117.96601    116.74357    111.86963    109.16829    105.17438 
   102.92322    100.08026     96.86068     95.12027     91.42227     90.68981 
    89.32205     84.64971     80.90139     79.45780     78.48854     72.77462 
    71.68072     68.47438     67.84114     63.39265     61.38348     59.65391 
    58.87279     55.90383     53.29817     52.22715     50.24782     47.90609 
    43.19658     40.08906     37.01532     35.92119     35.52183     28.90969 
    28.75264     28.53703     22.99984     21.91341     19.81713     16.80513 
    13.77569     12.34627     10.33253      9.58836      7.57893      4.70370 
overlap for current and previous eigenvector    109 is         0.9999989760
overlap for current and previous eigenvector    110 is         0.9999988185
overlap for current and previous eigenvector    111 is         0.9999866154
overlap for current and previous eigenvector    112 is         0.9999886496
overlap for current and previous eigenvector    113 is         0.9999981496
overlap for current and previous eigenvector    114 is         0.9999995960
J1,K1,R1,R2,RAT=   7   7   -0.1646742609E-01     2.016300806        0.9835325739    
FOB,PFOB,DIAG,PSTEP=   -0.1190843517E-05   -0.1171549504E-05     725.7345601        0.1614429268E-08
J1,K1,R1,R2,RAT=   8   8   -0.1114679010E-02     2.001075473        0.9988853210    
FOB,PFOB,DIAG,PSTEP=   -0.2354602037E-05   -0.2351980283E-05     672.1995816        0.3499000080E-08
J1,K1,R1,R2,RAT=   9   9    0.9908558539E-02     1.990043032        0.9900430318    
FOB,PFOB,DIAG,PSTEP=    0.7320576560E-06    0.7393840637E-06     625.2917665       -0.1182491119E-08
J1,K1,R1,R2,RAT=  10  10   -0.8763486684E-02     2.008748847        0.9912365133    
FOB,PFOB,DIAG,PSTEP=    0.1612542744E-05    0.1598533911E-05     604.4307282       -0.2644712682E-08
J1,K1,R1,R2,RAT=  11  11   -0.3863923419E-02     2.003885779        0.9961360766    
FOB,PFOB,DIAG,PSTEP=   -0.1103379785E-05   -0.1099132867E-05     589.3255050        0.1865048850E-08
J1,K1,R1,R2,RAT= 109 109    0.1138293081E-03     1.999928595        0.9998861707    
FOB,PFOB,DIAG,PSTEP=    0.7571551040E-04    0.7572412984E-04     13.77568837       -0.5496823212E-05
J1,K1,R1,R2,RAT= 110 110   -0.1398284934         5.258107220        0.8601715066    
FOB,PFOB,DIAG,PSTEP=   -0.3332219471E-03   -0.3159583392E-03     12.34627327        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4178831489         40.24559218        0.5821168511    
FOB,PFOB,DIAG,PSTEP=    0.2100783451E-02    0.2057605538E-02     10.33253274       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.1896799971E-01     2.018753369        0.9810320003    
FOB,PFOB,DIAG,PSTEP=    0.1490347136E-04    0.1462601533E-04     9.588355252       -0.1525557274E-05
J1,K1,R1,R2,RAT= 113 113   -0.8335993185         242.2396859        0.1664006815    
FOB,PFOB,DIAG,PSTEP=    0.1117221576E-01    0.1109558741E-01     7.578934068       -0.1212897079E-04
J1,K1,R1,R2,RAT= 114 114    0.9974248669        -454.6743053        0.2575133065E-02
FOB,PFOB,DIAG,PSTEP=   -0.4286684059       -0.4267917719         4.703697613       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002     -0.00001     -0.00000     -0.00001      0.00001      0.00001 
     0.00001     -0.00003      0.00002      0.00001     -0.00000     -0.00002 
    -0.00000     -0.00001      0.00000     -0.00001      0.00000      0.00003 
    -0.00002      0.00003     -0.00003     -0.00003      0.00005     -0.00000 
     0.00003      0.00001     -0.00001      0.00001     -0.00001     -0.00002 
     0.00003     -0.00003     -0.00002     -0.00000     -0.00004      0.00002 
     0.00000      0.00005     -0.00004      0.00003     -0.00003      0.00001 
     0.00003     -0.00002     -0.00008      0.00001      0.00012      0.00007 
    -0.00003     -0.00004      0.00004      0.00000      0.00013     -0.00006 
     0.00008     -0.00033      0.00210      0.00001      0.01117     -0.42867 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4380916630
 Log product of positive Hessian eigenvalues =          520.2184580960
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7036976128
 Unscaled step for mode    7=        0.0000000016
 Unscaled step for mode    8=        0.0000000035
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000050
 Unscaled step for mode   13=        0.0000000026
 Unscaled step for mode   14=        0.0000000110
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000067
 Unscaled step for mode   17=       -0.0000000061
 Unscaled step for mode   18=       -0.0000000102
 Unscaled step for mode   19=        0.0000000257
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000169
 Unscaled step for mode   22=       -0.0000000060
 Unscaled step for mode   23=        0.0000000032
 Unscaled step for mode   24=       -0.0000000034
 Unscaled step for mode   25=        0.0000000379
 Unscaled step for mode   26=        0.0000000641
 Unscaled step for mode   27=        0.0000000333
 Unscaled step for mode   28=       -0.0000000016
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000591
 Unscaled step for mode   31=        0.0000000189
 Unscaled step for mode   32=        0.0000000081
 Unscaled step for mode   33=       -0.0000000257
 Unscaled step for mode   34=       -0.0000000156
 Unscaled step for mode   35=       -0.0000000731
 Unscaled step for mode   36=       -0.0000000265
 Unscaled step for mode   37=        0.0000000399
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000585
 Unscaled step for mode   40=       -0.0000000417
 Unscaled step for mode   41=       -0.0000000681
 Unscaled step for mode   42=        0.0000000236
 Unscaled step for mode   43=       -0.0000000241
 Unscaled step for mode   44=        0.0000000482
 Unscaled step for mode   45=       -0.0000000146
 Unscaled step for mode   46=       -0.0000000574
 Unscaled step for mode   47=        0.0000001114
 Unscaled step for mode   48=       -0.0000000056
 Unscaled step for mode   49=        0.0000000722
 Unscaled step for mode   50=        0.0000000416
 Unscaled step for mode   51=        0.0000000507
 Unscaled step for mode   52=        0.0000000018
 Unscaled step for mode   53=        0.0000000487
 Unscaled step for mode   54=        0.0000000435
 Unscaled step for mode   55=       -0.0000000971
 Unscaled step for mode   56=        0.0000000328
 Unscaled step for mode   57=        0.0000000263
 Unscaled step for mode   58=        0.0000000978
 Unscaled step for mode   59=       -0.0000000420
 Unscaled step for mode   60=       -0.0000001034
 Unscaled step for mode   61=       -0.0000000936
 Unscaled step for mode   62=        0.0000002075
 Unscaled step for mode   63=       -0.0000001452
 Unscaled step for mode   64=       -0.0000000710
 Unscaled step for mode   65=        0.0000000000
 Unscaled step for mode   66=        0.0000001737
 Unscaled step for mode   67=        0.0000000186
 Unscaled step for mode   68=        0.0000000563
 Unscaled step for mode   69=       -0.0000000180
 Unscaled step for mode   70=        0.0000001308
 Unscaled step for mode   71=       -0.0000000185
 Unscaled step for mode   72=       -0.0000003015
 Unscaled step for mode   73=        0.0000001526
 Unscaled step for mode   74=       -0.0000002809
 Unscaled step for mode   75=        0.0000003234
 Unscaled step for mode   76=        0.0000002809
 Unscaled step for mode   77=       -0.0000005823
 Unscaled step for mode   78=        0.0000000232
 Unscaled step for mode   79=       -0.0000003159
 Unscaled step for mode   80=       -0.0000001760
 Unscaled step for mode   81=        0.0000001832
 Unscaled step for mode   82=       -0.0000001615
 Unscaled step for mode   83=        0.0000001486
 Unscaled step for mode   84=        0.0000003074
 Unscaled step for mode   85=       -0.0000004728
 Unscaled step for mode   86=        0.0000004841
 Unscaled step for mode   87=        0.0000002556
 Unscaled step for mode   88=        0.0000000195
 Unscaled step for mode   89=        0.0000006411
 Unscaled step for mode   90=       -0.0000003156
 Unscaled step for mode   91=       -0.0000000120
 Unscaled step for mode   92=       -0.0000008508
 Unscaled step for mode   93=        0.0000007247
 Unscaled step for mode   94=       -0.0000005658
 Unscaled step for mode   95=        0.0000006735
 Unscaled step for mode   96=       -0.0000002294
 Unscaled step for mode   97=       -0.0000007154
 Unscaled step for mode   98=        0.0000005917
 Unscaled step for mode   99=        0.0000020804
 Unscaled step for mode  100=       -0.0000003930
 Unscaled step for mode  101=       -0.0000033258
 Unscaled step for mode  102=       -0.0000024488
 Unscaled step for mode  103=        0.0000010778
 Unscaled step for mode  104=        0.0000015350
 Unscaled step for mode  105=       -0.0000016383
 Unscaled step for mode  106=       -0.0000000505
 Unscaled step for mode  107=       -0.0000063286
 Unscaled step for mode  108=        0.0000032729
 Unscaled step for mode  109=       -0.0000054963
 Unscaled step for mode  110=        0.0000269897
 Unscaled step for mode  111=       -0.0002033174
 Unscaled step for mode  112=       -0.0000015543
 Unscaled step for mode  113=       -0.0014741112
 Unscaled step for mode  114=       -0.0903897504
 Largest modulus ratio of non-zero e/values=           154.2902244    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.298372E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.711237E-16    0.100743E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.796447E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.374700E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.113629E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.603169E-15    0.973687E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.119084E-05    0.725735E+03  0.164088E-08 0.100000E-04    0.983533E+00
   8   -0.235460E-05    0.672200E+03  0.350283E-08 0.100000E-04    0.998885E+00
   9    0.732058E-06    0.625292E+03 -0.117075E-08 0.100000E-04    0.990043E+00
  10    0.161254E-05    0.604431E+03 -0.266787E-08 0.100000E-04    0.991237E+00
  11   -0.110338E-05    0.589326E+03  0.187228E-08 0.100000E-04    0.996136E+00
  12    0.281917E-05    0.566438E+03 -0.497702E-08 0.100000E-04    0.990908E+00
  13   -0.144994E-05    0.565302E+03  0.256490E-08 0.100000E-04    0.976236E+00
  14   -0.526414E-05    0.480021E+03  0.109665E-07 0.100000E-04    0.998652E+00
  15    0.184645E-05    0.467939E+03 -0.394592E-08 0.100000E-04    0.994417E+00
  16    0.311539E-05    0.462302E+03 -0.673887E-08 0.100000E-04    0.990728E+00
  17    0.268202E-05    0.441335E+03 -0.607707E-08 0.100000E-04    0.988890E+00
  18    0.440438E-05    0.430700E+03 -0.102261E-07 0.100000E-04    0.998741E+00
  19   -0.108399E-04    0.421146E+03  0.257391E-07 0.100000E-04    0.995136E+00
  20    0.897775E-05    0.406810E+03 -0.220686E-07 0.100000E-04    0.998493E+00
  21    0.671367E-05    0.397971E+03 -0.168697E-07 0.100000E-04    0.996608E+00
  22    0.231488E-05    0.388748E+03 -0.595473E-08 0.100000E-04    0.983692E+00
  23   -0.116758E-05    0.367221E+03  0.317949E-08 0.100000E-04    0.997327E+00
  24    0.124885E-05    0.362905E+03 -0.344125E-08 0.100000E-04    0.987628E+00
  25   -0.133305E-04    0.351784E+03  0.378941E-07 0.100000E-04    0.995832E+00
  26   -0.217734E-04    0.339615E+03  0.641119E-07 0.100000E-04    0.995020E+00
  27   -0.108100E-04    0.324762E+03  0.332860E-07 0.100000E-04    0.995917E+00
  28    0.526314E-06    0.321688E+03 -0.163610E-08 0.100000E-04    0.779071E+00
  29   -0.153116E-06    0.318900E+03  0.480137E-09 0.100000E-04    0.675275E+00
  30   -0.186686E-04    0.316079E+03  0.590632E-07 0.100000E-04    0.996666E+00
  31   -0.576794E-05    0.304992E+03  0.189118E-07 0.100000E-04    0.993756E+00
  32   -0.232660E-05    0.287701E+03  0.808685E-08 0.100000E-04    0.986483E+00
  33    0.719044E-05    0.279464E+03 -0.257294E-07 0.100000E-04    0.993340E+00
  34    0.421428E-05    0.270939E+03 -0.155544E-07 0.100000E-04    0.989321E+00
  35    0.194339E-04    0.265956E+03 -0.730717E-07 0.100000E-04    0.997738E+00
  36    0.697250E-05    0.263080E+03 -0.265034E-07 0.100000E-04    0.989974E+00
  37   -0.103015E-04    0.258253E+03  0.398892E-07 0.100000E-04    0.994315E+00
  38   -0.374160E-05    0.253607E+03  0.147535E-07 0.100000E-04    0.997796E+00
  39   -0.142047E-04    0.242933E+03  0.584716E-07 0.100000E-04    0.996084E+00
  40    0.992603E-05    0.238160E+03 -0.416779E-07 0.100000E-04    0.999590E+00
  41    0.160235E-04    0.235407E+03 -0.680671E-07 0.100000E-04    0.989621E+00
  42   -0.539179E-05    0.228699E+03  0.235759E-07 0.100000E-04    0.994534E+00
  43    0.535660E-05    0.222714E+03 -0.240515E-07 0.100000E-04    0.993043E+00
  44   -0.102552E-04    0.212873E+03  0.481750E-07 0.100000E-04    0.994082E+00
  45    0.308335E-05    0.211663E+03 -0.145672E-07 0.100000E-04    0.997316E+00
  46    0.119649E-04    0.208580E+03 -0.573635E-07 0.100000E-04    0.994912E+00
  47   -0.226289E-04    0.203214E+03  0.111355E-06 0.100000E-04    0.996994E+00
  48    0.110647E-05    0.198128E+03 -0.558462E-08 0.100000E-04    0.977834E+00
  49   -0.141134E-04    0.195518E+03  0.721846E-07 0.100000E-04    0.995869E+00
  50   -0.797753E-05    0.191608E+03  0.416347E-07 0.100000E-04    0.991431E+00
  51   -0.941250E-05    0.185558E+03  0.507253E-07 0.100000E-04    0.996565E+00
  52   -0.323773E-06    0.176677E+03  0.183257E-08 0.100000E-04    0.983433E+00
  53   -0.833934E-05    0.171097E+03  0.487403E-07 0.100000E-04    0.996393E+00
  54   -0.730685E-05    0.167816E+03  0.435408E-07 0.100000E-04    0.993540E+00
  55    0.160798E-04    0.165592E+03 -0.971053E-07 0.100000E-04    0.997357E+00
  56   -0.525044E-05    0.160089E+03  0.327970E-07 0.100000E-04    0.995186E+00
  57   -0.403861E-05    0.153506E+03  0.263091E-07 0.100000E-04    0.991334E+00
  58   -0.147651E-04    0.150960E+03  0.978082E-07 0.100000E-04    0.993876E+00
  59    0.626290E-05    0.149113E+03 -0.420009E-07 0.100000E-04    0.992440E+00
  60    0.147746E-04    0.142938E+03 -0.103364E-06 0.100000E-04    0.997482E+00
  61    0.128240E-04    0.136953E+03 -0.936377E-07 0.100000E-04    0.991308E+00
  62   -0.280639E-04    0.135243E+03  0.207508E-06 0.100000E-04    0.996794E+00
  63    0.189989E-04    0.130880E+03 -0.145163E-06 0.100000E-04    0.994847E+00
  64    0.906547E-05    0.127676E+03 -0.710036E-07 0.100000E-04    0.989916E+00
  65   -0.248398E-09    0.126027E+03  0.197099E-11 0.109000E-04    0.968678E-02
  66   -0.217573E-04    0.125235E+03  0.173732E-06 0.100000E-04    0.995193E+00
  67   -0.222090E-05    0.119516E+03  0.185825E-07 0.100000E-04    0.997049E+00
  68   -0.664139E-05    0.117966E+03  0.562992E-07 0.100000E-04    0.994344E+00
  69    0.210693E-05    0.116744E+03 -0.180475E-07 0.100000E-04    0.979542E+00
  70   -0.146346E-04    0.111870E+03  0.130818E-06 0.100000E-04    0.996160E+00
  71    0.202097E-05    0.109168E+03 -0.185125E-07 0.100000E-04    0.985601E+00
  72    0.317114E-04    0.105174E+03 -0.301513E-06 0.100000E-04    0.992937E+00
  73   -0.157018E-04    0.102923E+03  0.152559E-06 0.100000E-04    0.993548E+00
  74    0.281105E-04    0.100080E+03 -0.280879E-06 0.100000E-04    0.996760E+00
  75   -0.313220E-04    0.968607E+02  0.323372E-06 0.100000E-04    0.992675E+00
  76   -0.267213E-04    0.951203E+02  0.280921E-06 0.100000E-04    0.997433E+00
  77    0.532377E-04    0.914223E+02 -0.582327E-06 0.100000E-04    0.996748E+00
  78   -0.210058E-05    0.906898E+02  0.231622E-07 0.100000E-04    0.995274E+00
  79    0.282126E-04    0.893221E+02 -0.315853E-06 0.100000E-04    0.996876E+00
  80    0.148967E-04    0.846497E+02 -0.175981E-06 0.100000E-04    0.995714E+00
  81   -0.148197E-04    0.809014E+02  0.183182E-06 0.100000E-04    0.995479E+00
  82    0.128292E-04    0.794578E+02 -0.161459E-06 0.100000E-04    0.996974E+00
  83   -0.116595E-04    0.784885E+02  0.148551E-06 0.100000E-04    0.999677E+00
  84   -0.223694E-04    0.727746E+02  0.307378E-06 0.100000E-04    0.992082E+00
  85    0.338889E-04    0.716807E+02 -0.472775E-06 0.100000E-04    0.994207E+00
  86   -0.331490E-04    0.684744E+02  0.484108E-06 0.100000E-04    0.995523E+00
  87   -0.173385E-04    0.678411E+02  0.255576E-06 0.100000E-04    0.972301E+00
  88   -0.123685E-05    0.633927E+02  0.195110E-07 0.100000E-04    0.985795E+00
  89   -0.393526E-04    0.613835E+02  0.641094E-06 0.100000E-04    0.995191E+00
  90    0.188261E-04    0.596539E+02 -0.315588E-06 0.100000E-04    0.991485E+00
  91    0.708641E-06    0.588728E+02 -0.120368E-07 0.100000E-04    0.981689E+00
  92    0.475629E-04    0.559038E+02 -0.850799E-06 0.100000E-04    0.996766E+00
  93   -0.386236E-04    0.532982E+02  0.724671E-06 0.100000E-04    0.997990E+00
  94    0.295510E-04    0.522272E+02 -0.565816E-06 0.100000E-04    0.992983E+00
  95   -0.338441E-04    0.502478E+02  0.673543E-06 0.100000E-04    0.999207E+00
  96    0.109918E-04    0.479061E+02 -0.229444E-06 0.100000E-04    0.996611E+00
  97    0.309050E-04    0.431966E+02 -0.715450E-06 0.100000E-04    0.993516E+00
  98   -0.237200E-04    0.400891E+02  0.591682E-06 0.100000E-04    0.994115E+00
  99   -0.770076E-04    0.370153E+02  0.208042E-05 0.100000E-04    0.990473E+00
 100    0.141167E-04    0.359212E+02 -0.392991E-06 0.100000E-04    0.970872E+00
 101    0.118140E-03    0.355218E+02 -0.332583E-05 0.100000E-04    0.998965E+00
 102    0.707943E-04    0.289097E+02 -0.244881E-05 0.100000E-04    0.994632E+00
 103   -0.309888E-04    0.287526E+02  0.107777E-05 0.100000E-04    0.997394E+00
 104   -0.438041E-04    0.285370E+02  0.153499E-05 0.100000E-04    0.991233E+00
 105    0.376805E-04    0.229998E+02 -0.163829E-05 0.100000E-04    0.994503E+00
 106    0.110657E-05    0.219134E+02 -0.504972E-07 0.100000E-04    0.355208E+00
 107    0.125415E-03    0.198171E+02 -0.632863E-05 0.100000E-04    0.998096E+00
 108   -0.550008E-04    0.168051E+02  0.327286E-05 0.100000E-04    0.987923E+00
 109    0.757155E-04    0.137757E+02 -0.549631E-05 0.100000E-04    0.999886E+00
 110   -0.333222E-03    0.123463E+02  0.100000E-04 0.100000E-04    0.860172E+00
 111    0.210078E-02    0.103325E+02 -0.100000E-04 0.100000E-04    0.582117E+00
 112    0.149035E-04    0.958836E+01 -0.155433E-05 0.100000E-04    0.981032E+00
 113    0.111722E-01    0.757893E+01 -0.132206E-04 0.132206E-04    0.166401E+00
 114   -0.428668E+00    0.470370E+01 -0.400000E-03 0.400000E-03    0.257513E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9038975045E-01

 Beginning of optimization cycle  205.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3836329342
 potential> RMS force:                                               0.0403384063   |gradient|=.4306963205    
 Eigenvalues of the Hessian matrix:
   725.79499    672.21263    625.30682    604.43515    589.31893    566.46941 
   565.32750    480.04216    467.91574    462.29248    441.33443    430.69114 
   421.15348    406.82099    397.96689    388.75002    367.22526    362.89555 
   351.77609    339.58060    324.76913    321.68446    318.91413    316.05206 
   304.98692    287.70663    279.45847    270.93447    265.96046    263.08989 
   258.26133    253.60999    242.92589    238.14826    235.41698    228.69997 
   222.69399    212.87831    211.66804    208.56718    203.21738    198.12410 
   195.51802    191.60760    185.54856    176.66296    171.10290    167.81230 
   165.58938    160.08199    153.50733    150.95986    149.11520    142.94059 
   136.95363    135.24800    130.87834    127.67722    126.02865    125.24024 
   119.51718    117.96659    116.74635    111.86236    109.15729    105.17077 
   102.92472    100.07674     96.85443     95.12060     91.43238     90.68442 
    89.33146     84.65196     80.90166     79.46111     78.48658     72.77311 
    71.68437     68.46777     67.83835     63.39215     61.37365     59.65406 
    58.87516     55.90507     53.29392     52.22707     50.24665     47.90443 
    43.19277     40.09141     37.01561     35.91359     35.52859     28.90828 
    28.75211     28.52903     22.99728     21.91203     19.82100     16.80579 
    13.77540     12.34490     10.32065      9.58936      7.57775      4.70124 
overlap for current and previous eigenvector    109 is        -0.9999989859
overlap for current and previous eigenvector    110 is        -0.9999988368
overlap for current and previous eigenvector    111 is        -0.9999858657
overlap for current and previous eigenvector    112 is        -0.9999878656
overlap for current and previous eigenvector    113 is        -0.9999981224
overlap for current and previous eigenvector    114 is         0.9999995975
J1,K1,R1,R2,RAT=   7   7   -0.1373451422E-01     2.013567983        0.9862654858    
FOB,PFOB,DIAG,PSTEP=   -0.1207200536E-05   -0.1190843517E-05     725.7949938        0.1640880264E-08
J1,K1,R1,R2,RAT=   8   8   -0.1258080361E-01     2.012541979        0.9874191964    
FOB,PFOB,DIAG,PSTEP=   -0.2384225398E-05   -0.2354602037E-05     672.2126307        0.3502831751E-08
J1,K1,R1,R2,RAT=   9   9   -0.1519522348E-02     2.001471362        0.9984804777    
FOB,PFOB,DIAG,PSTEP=    0.7331700608E-06    0.7320576560E-06     625.3068240       -0.1170745715E-08
J1,K1,R1,R2,RAT=  10  10    0.5157483283E-02     1.994827888        0.9948278882    
FOB,PFOB,DIAG,PSTEP=    0.1604226021E-05    0.1612542744E-05     604.4351492       -0.2667870228E-08
J1,K1,R1,R2,RAT=  11  11    0.8752918056E-03     1.999147018        0.9991247082    
FOB,PFOB,DIAG,PSTEP=   -0.1102414017E-05   -0.1103379785E-05     589.3189312        0.1872275637E-08
J1,K1,R1,R2,RAT= 109 109     2.000913938       -0.8724654598E-03    0.9991275345    
FOB,PFOB,DIAG,PSTEP=   -0.7578156820E-04    0.7571551040E-04     13.77540272       -0.5496314111E-05
J1,K1,R1,R2,RAT= 110 110     5.540167488       -0.1416294702        0.8583705298    
FOB,PFOB,DIAG,PSTEP=    0.3507059576E-03   -0.3332219471E-03     12.34489582        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     41.14025464       -0.4299787936        0.5700212064    
FOB,PFOB,DIAG,PSTEP=   -0.2145160077E-02    0.2100783451E-02     10.32065447       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.088773013       -0.8898169141E-01    0.9110183086    
FOB,PFOB,DIAG,PSTEP=   -0.1622974584E-04    0.1490347136E-04     9.589355799       -0.1554330328E-05
J1,K1,R1,R2,RAT= 113 113     223.7214715       -0.6837386598        0.3162613402    
FOB,PFOB,DIAG,PSTEP=   -0.1124071426E-01    0.1117221576E-01     7.577754305       -0.1322057816E-04
J1,K1,R1,R2,RAT= 114 114    0.9974082957        -456.9072924        0.2591704332E-02
FOB,PFOB,DIAG,PSTEP=   -0.4305440284       -0.4286684059         4.701240540       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002     -0.00001      0.00000      0.00001      0.00001     -0.00001 
    -0.00001      0.00003     -0.00002     -0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00001      0.00000      0.00003 
     0.00002      0.00003      0.00003     -0.00003      0.00005      0.00000 
     0.00003     -0.00001      0.00001      0.00001      0.00001      0.00002 
     0.00003     -0.00003      0.00002      0.00000      0.00004     -0.00002 
     0.00000      0.00005      0.00004      0.00003      0.00003     -0.00001 
    -0.00003      0.00002     -0.00008      0.00001      0.00012      0.00007 
    -0.00003     -0.00004     -0.00004     -0.00000     -0.00013     -0.00005 
    -0.00008      0.00035     -0.00215     -0.00002     -0.01124     -0.43054 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4380582423
 Log product of positive Hessian eigenvalues =          520.2158072354
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.7012405395
 Unscaled step for mode    7=        0.0000000017
 Unscaled step for mode    8=        0.0000000035
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000049
 Unscaled step for mode   13=        0.0000000027
 Unscaled step for mode   14=        0.0000000109
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000068
 Unscaled step for mode   17=       -0.0000000061
 Unscaled step for mode   18=       -0.0000000103
 Unscaled step for mode   19=        0.0000000258
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000169
 Unscaled step for mode   22=       -0.0000000060
 Unscaled step for mode   23=        0.0000000031
 Unscaled step for mode   24=       -0.0000000034
 Unscaled step for mode   25=        0.0000000381
 Unscaled step for mode   26=        0.0000000644
 Unscaled step for mode   27=        0.0000000335
 Unscaled step for mode   28=       -0.0000000019
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000594
 Unscaled step for mode   31=        0.0000000191
 Unscaled step for mode   32=        0.0000000082
 Unscaled step for mode   33=       -0.0000000258
 Unscaled step for mode   34=       -0.0000000156
 Unscaled step for mode   35=       -0.0000000734
 Unscaled step for mode   36=       -0.0000000268
 Unscaled step for mode   37=        0.0000000401
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000586
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000688
 Unscaled step for mode   42=        0.0000000238
 Unscaled step for mode   43=       -0.0000000243
 Unscaled step for mode   44=        0.0000000488
 Unscaled step for mode   45=       -0.0000000144
 Unscaled step for mode   46=       -0.0000000578
 Unscaled step for mode   47=        0.0000001119
 Unscaled step for mode   48=       -0.0000000057
 Unscaled step for mode   49=        0.0000000727
 Unscaled step for mode   50=        0.0000000416
 Unscaled step for mode   51=        0.0000000511
 Unscaled step for mode   52=        0.0000000019
 Unscaled step for mode   53=       -0.0000000489
 Unscaled step for mode   54=        0.0000000440
 Unscaled step for mode   55=       -0.0000000974
 Unscaled step for mode   56=        0.0000000328
 Unscaled step for mode   57=       -0.0000000265
 Unscaled step for mode   58=       -0.0000000983
 Unscaled step for mode   59=       -0.0000000419
 Unscaled step for mode   60=        0.0000001039
 Unscaled step for mode   61=        0.0000000941
 Unscaled step for mode   62=       -0.0000002079
 Unscaled step for mode   63=        0.0000001453
 Unscaled step for mode   64=        0.0000000718
 Unscaled step for mode   65=       -0.0000000000
 Unscaled step for mode   66=        0.0000001741
 Unscaled step for mode   67=       -0.0000000189
 Unscaled step for mode   68=        0.0000000565
 Unscaled step for mode   69=       -0.0000000182
 Unscaled step for mode   70=        0.0000001319
 Unscaled step for mode   71=       -0.0000000188
 Unscaled step for mode   72=       -0.0000003028
 Unscaled step for mode   73=       -0.0000001536
 Unscaled step for mode   74=       -0.0000002811
 Unscaled step for mode   75=       -0.0000003261
 Unscaled step for mode   76=        0.0000002818
 Unscaled step for mode   77=       -0.0000005847
 Unscaled step for mode   78=       -0.0000000227
 Unscaled step for mode   79=       -0.0000003139
 Unscaled step for mode   80=        0.0000001770
 Unscaled step for mode   81=       -0.0000001838
 Unscaled step for mode   82=       -0.0000001602
 Unscaled step for mode   83=       -0.0000001496
 Unscaled step for mode   84=       -0.0000003086
 Unscaled step for mode   85=       -0.0000004737
 Unscaled step for mode   86=        0.0000004812
 Unscaled step for mode   87=       -0.0000002628
 Unscaled step for mode   88=       -0.0000000187
 Unscaled step for mode   89=       -0.0000006434
 Unscaled step for mode   90=        0.0000003157
 Unscaled step for mode   91=       -0.0000000120
 Unscaled step for mode   92=       -0.0000008546
 Unscaled step for mode   93=       -0.0000007237
 Unscaled step for mode   94=       -0.0000005677
 Unscaled step for mode   95=       -0.0000006719
 Unscaled step for mode   96=        0.0000002304
 Unscaled step for mode   97=        0.0000007162
 Unscaled step for mode   98=       -0.0000005944
 Unscaled step for mode   99=        0.0000020903
 Unscaled step for mode  100=       -0.0000003844
 Unscaled step for mode  101=       -0.0000033256
 Unscaled step for mode  102=       -0.0000024541
 Unscaled step for mode  103=        0.0000010752
 Unscaled step for mode  104=        0.0000015369
 Unscaled step for mode  105=        0.0000016453
 Unscaled step for mode  106=        0.0000000379
 Unscaled step for mode  107=        0.0000063295
 Unscaled step for mode  108=        0.0000032551
 Unscaled step for mode  109=        0.0000055012
 Unscaled step for mode  110=       -0.0000284090
 Unscaled step for mode  111=        0.0002078512
 Unscaled step for mode  112=        0.0000016925
 Unscaled step for mode  113=        0.0014833800
 Unscaled step for mode  114=       -0.0908254647
 Largest modulus ratio of non-zero e/values=           154.3837180    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.403106E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.315937E-15    0.100743E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.562394E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.481386E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.256522E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.861155E-15    0.973688E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.120720E-05    0.725795E+03  0.166328E-08 0.100000E-04    0.986265E+00
   8   -0.238423E-05    0.672213E+03  0.354683E-08 0.100000E-04    0.987419E+00
   9    0.733170E-06    0.625307E+03 -0.117250E-08 0.100000E-04    0.998480E+00
  10    0.160423E-05    0.604435E+03 -0.265409E-08 0.100000E-04    0.994828E+00
  11   -0.110241E-05    0.589319E+03  0.187066E-08 0.100000E-04    0.999125E+00
  12    0.278433E-05    0.566469E+03 -0.491523E-08 0.100000E-04    0.987529E+00
  13   -0.151363E-05    0.565327E+03  0.267744E-08 0.100000E-04    0.956077E+00
  14   -0.524325E-05    0.480042E+03  0.109225E-07 0.100000E-04    0.995946E+00
  15    0.185568E-05    0.467916E+03 -0.396584E-08 0.100000E-04    0.995001E+00
  16    0.313144E-05    0.462292E+03 -0.677373E-08 0.100000E-04    0.994847E+00
  17    0.268639E-05    0.441334E+03 -0.608697E-08 0.100000E-04    0.998371E+00
  18    0.441531E-05    0.430691E+03 -0.102517E-07 0.100000E-04    0.997517E+00
  19   -0.108782E-04    0.421153E+03  0.258296E-07 0.100000E-04    0.996465E+00
  20    0.896655E-05    0.406821E+03 -0.220405E-07 0.100000E-04    0.998700E+00
  21    0.672219E-05    0.397967E+03 -0.168913E-07 0.100000E-04    0.998730E+00
  22    0.234583E-05    0.388750E+03 -0.603430E-08 0.100000E-04    0.986630E+00
  23   -0.114820E-05    0.367225E+03  0.312670E-08 0.100000E-04    0.983388E+00
  24    0.123362E-05    0.362896E+03 -0.339937E-08 0.100000E-04    0.987801E+00
  25   -0.133866E-04    0.351776E+03  0.380544E-07 0.100000E-04    0.995792E+00
  26   -0.218707E-04    0.339581E+03  0.644051E-07 0.100000E-04    0.995529E+00
  27   -0.108647E-04    0.324769E+03  0.334536E-07 0.100000E-04    0.994941E+00
  28    0.614824E-06    0.321684E+03 -0.191126E-08 0.100000E-04    0.831829E+00
  29   -0.105581E-06    0.318914E+03  0.331064E-09 0.100000E-04    0.689474E+00
  30   -0.187636E-04    0.316052E+03  0.593687E-07 0.100000E-04    0.994912E+00
  31   -0.583319E-05    0.304987E+03  0.191260E-07 0.100000E-04    0.988688E+00
  32   -0.234962E-05    0.287707E+03  0.816672E-08 0.100000E-04    0.990105E+00
  33    0.721379E-05    0.279458E+03 -0.258134E-07 0.100000E-04    0.996753E+00
  34    0.423582E-05    0.270934E+03 -0.156341E-07 0.100000E-04    0.994889E+00
  35    0.195110E-04    0.265960E+03 -0.733604E-07 0.100000E-04    0.996033E+00
  36    0.704259E-05    0.263090E+03 -0.267688E-07 0.100000E-04    0.989948E+00
  37   -0.103597E-04    0.258261E+03  0.401133E-07 0.100000E-04    0.994350E+00
  38   -0.374640E-05    0.253610E+03  0.147723E-07 0.100000E-04    0.998719E+00
  39   -0.142445E-04    0.242926E+03  0.586373E-07 0.100000E-04    0.997196E+00
  40    0.994783E-05    0.238148E+03 -0.417716E-07 0.100000E-04    0.997804E+00
  41    0.161998E-04    0.235417E+03 -0.688133E-07 0.100000E-04    0.988995E+00
  42   -0.543666E-05    0.228700E+03  0.237720E-07 0.100000E-04    0.991678E+00
  43    0.542004E-05    0.222694E+03 -0.243385E-07 0.100000E-04    0.988157E+00
  44   -0.103867E-04    0.212878E+03  0.487919E-07 0.100000E-04    0.987170E+00
  45    0.303946E-05    0.211668E+03 -0.143596E-07 0.100000E-04    0.985725E+00
  46    0.120564E-04    0.208567E+03 -0.578057E-07 0.100000E-04    0.992352E+00
  47   -0.227390E-04    0.203217E+03  0.111895E-06 0.100000E-04    0.995134E+00
  48    0.113427E-05    0.198124E+03 -0.572507E-08 0.100000E-04    0.974870E+00
  49   -0.142130E-04    0.195518E+03  0.726942E-07 0.100000E-04    0.992941E+00
  50   -0.796200E-05    0.191608E+03  0.415537E-07 0.100000E-04    0.998053E+00
  51   -0.948039E-05    0.185549E+03  0.510938E-07 0.100000E-04    0.992786E+00
  52   -0.343385E-06    0.176663E+03  0.194373E-08 0.100000E-04    0.939422E+00
  53    0.837256E-05    0.171103E+03 -0.489329E-07 0.100000E-04    0.996016E+00
  54   -0.738359E-05    0.167812E+03  0.439991E-07 0.100000E-04    0.989498E+00
  55    0.161363E-04    0.165589E+03 -0.974476E-07 0.100000E-04    0.996488E+00
  56   -0.525076E-05    0.160082E+03  0.328004E-07 0.100000E-04    0.999940E+00
  57    0.407319E-05    0.153507E+03 -0.265342E-07 0.100000E-04    0.991437E+00
  58    0.148429E-04    0.150960E+03 -0.983237E-07 0.100000E-04    0.994730E+00
  59    0.625246E-05    0.149115E+03 -0.419304E-07 0.100000E-04    0.998309E+00
  60   -0.148563E-04    0.142941E+03  0.103934E-06 0.100000E-04    0.994470E+00
  61   -0.128840E-04    0.136954E+03  0.940754E-07 0.100000E-04    0.995323E+00
  62    0.281140E-04    0.135248E+03 -0.207870E-06 0.100000E-04    0.998212E+00
  63   -0.190222E-04    0.130878E+03  0.145342E-06 0.100000E-04    0.998777E+00
  64   -0.916989E-05    0.127677E+03  0.718209E-07 0.100000E-04    0.988481E+00
  65    0.408066E-08    0.126029E+03 -0.323788E-10 0.100000E-04    0.144277E+02
  66   -0.218096E-04    0.125240E+03  0.174142E-06 0.100000E-04    0.997594E+00
  67    0.226216E-05    0.119517E+03 -0.189275E-07 0.100000E-04    0.981425E+00
  68   -0.666457E-05    0.117967E+03  0.564954E-07 0.100000E-04    0.996510E+00
  69    0.212191E-05    0.116746E+03 -0.181754E-07 0.100000E-04    0.992892E+00
  70   -0.147569E-04    0.111862E+03  0.131920E-06 0.100000E-04    0.991644E+00
  71    0.204889E-05    0.109157E+03 -0.187701E-07 0.100000E-04    0.986186E+00
  72    0.318508E-04    0.105171E+03 -0.302848E-06 0.100000E-04    0.995605E+00
  73    0.158122E-04    0.102925E+03 -0.153629E-06 0.100000E-04    0.992971E+00
  74    0.281282E-04    0.100077E+03 -0.281066E-06 0.100000E-04    0.999369E+00
  75    0.315820E-04    0.968544E+02 -0.326077E-06 0.100000E-04    0.991699E+00
  76   -0.268085E-04    0.951206E+02  0.281837E-06 0.100000E-04    0.996737E+00
  77    0.534639E-04    0.914324E+02 -0.584737E-06 0.100000E-04    0.995751E+00
  78    0.206302E-05    0.906844E+02 -0.227494E-07 0.100000E-04    0.982120E+00
  79    0.280410E-04    0.893315E+02 -0.313899E-06 0.100000E-04    0.993708E+00
  80   -0.149817E-04    0.846520E+02  0.176981E-06 0.100000E-04    0.994291E+00
  81    0.148708E-04    0.809017E+02 -0.183813E-06 0.100000E-04    0.996554E+00
  82    0.127262E-04    0.794611E+02 -0.160157E-06 0.100000E-04    0.991894E+00
  83    0.117411E-04    0.784866E+02 -0.149594E-06 0.100000E-04    0.993004E+00
  84    0.224551E-04    0.727731E+02 -0.308563E-06 0.100000E-04    0.996167E+00
  85    0.339537E-04    0.716844E+02 -0.473656E-06 0.100000E-04    0.998085E+00
  86   -0.329487E-04    0.684678E+02  0.481230E-06 0.100000E-04    0.993957E+00
  87    0.178309E-04    0.678384E+02 -0.262845E-06 0.100000E-04    0.971599E+00
  88    0.118655E-05    0.633921E+02 -0.187176E-07 0.100000E-04    0.959327E+00
  89    0.394850E-04    0.613737E+02 -0.643354E-06 0.100000E-04    0.996635E+00
  90   -0.188317E-04    0.596541E+02  0.315681E-06 0.100000E-04    0.999703E+00
  91    0.709242E-06    0.588752E+02 -0.120465E-07 0.100000E-04    0.999152E+00
  92    0.477758E-04    0.559051E+02 -0.854587E-06 0.100000E-04    0.995525E+00
  93    0.385669E-04    0.532939E+02 -0.723663E-06 0.100000E-04    0.998530E+00
  94    0.296504E-04    0.522271E+02 -0.567721E-06 0.100000E-04    0.996635E+00
  95    0.337622E-04    0.502466E+02 -0.671929E-06 0.100000E-04    0.997581E+00
  96   -0.110376E-04    0.479044E+02  0.230409E-06 0.100000E-04    0.995831E+00
  97   -0.309359E-04    0.431928E+02  0.716228E-06 0.100000E-04    0.999001E+00
  98    0.238305E-04    0.400914E+02 -0.594404E-06 0.100000E-04    0.995342E+00
  99   -0.773748E-04    0.370156E+02  0.209033E-05 0.100000E-04    0.995231E+00
 100    0.138039E-04    0.359136E+02 -0.384365E-06 0.100000E-04    0.977840E+00
 101    0.118154E-03    0.355286E+02 -0.332561E-05 0.100000E-04    0.999744E+00
 102    0.709439E-04    0.289083E+02 -0.245410E-05 0.100000E-04    0.997887E+00
 103   -0.309130E-04    0.287521E+02  0.107516E-05 0.100000E-04    0.997553E+00
 104   -0.438461E-04    0.285290E+02  0.153690E-05 0.100000E-04    0.999041E+00
 105   -0.378376E-04    0.229973E+02  0.164531E-05 0.100000E-04    0.995831E+00
 106   -0.831430E-06    0.219120E+02  0.379440E-07 0.100000E-04    0.751345E+00
 107   -0.125456E-03    0.198210E+02  0.632946E-05 0.100000E-04    0.999674E+00
 108   -0.547048E-04    0.168058E+02  0.325512E-05 0.100000E-04    0.994540E+00
 109   -0.757816E-04    0.137754E+02  0.550122E-05 0.100000E-04    0.999128E+00
 110    0.350706E-03    0.123449E+02 -0.100000E-04 0.100000E-04    0.858371E+00
 111   -0.214516E-02    0.103207E+02  0.100000E-04 0.100000E-04    0.570021E+00
 112   -0.162297E-04    0.958936E+01  0.169248E-05 0.100000E-04    0.911018E+00
 113   -0.112407E-01    0.757775E+01  0.119104E-04 0.119104E-04    0.316261E+00
 114   -0.430544E+00    0.470124E+01 -0.400000E-03 0.400000E-03    0.259170E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9082546469E-01

 Beginning of optimization cycle  206.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3834604991
 potential> RMS force:                                               0.0405141314   |gradient|=.4325725513    
 Eigenvalues of the Hessian matrix:
   725.85547    672.22577    625.32188    604.43933    589.31242    566.50114 
   565.35258    480.06297    467.89282    462.28326    441.33383    430.68214 
   421.16039    406.83152    397.96277    388.75242    367.22911    362.88582 
   351.76830    339.54618    324.77607    321.68093    318.92827    316.02504 
   304.98163    287.71191    279.45311    270.93012    265.96510    263.09998 
   258.26929    253.61266    242.91860    238.13637    235.42655    228.70062 
   222.67432    212.88358    211.67266    208.55461    203.22069    198.12017 
   195.51783    191.60743    185.53873    176.64917    171.10838    167.80851 
   165.58717    160.07520    153.50860    150.95973    149.11708    142.94361 
   136.95410    135.25341    130.87676    127.67822    126.03025    125.24550 
   119.51865    117.96719    116.74915    111.85511    109.14632    105.16721 
   102.92622    100.07325     96.84815     95.12094     91.44252     90.67904 
    89.34082     84.65422     80.90191     79.46440     78.48463     72.77164 
    71.68807     68.46134     67.83543     63.39164     61.36386     59.65421 
    58.87753     55.90635     53.28969     52.22702     50.24546     47.90279 
    43.18896     40.09377     37.01600     35.90598     35.53539     28.90688 
    28.75161     28.52101     22.99474     21.91061     19.82492     16.80645 
    13.77513     12.34352     10.30883      9.59032      7.57656      4.69876 
overlap for current and previous eigenvector    109 is         0.9999989979
overlap for current and previous eigenvector    110 is         0.9999988509
overlap for current and previous eigenvector    111 is         0.9999850914
overlap for current and previous eigenvector    112 is         0.9999870576
overlap for current and previous eigenvector    113 is         0.9999980981
overlap for current and previous eigenvector    114 is         0.9999995999
J1,K1,R1,R2,RAT=   7   7   -0.1611312803E-01     2.015946482        0.9838868720    
FOB,PFOB,DIAG,PSTEP=   -0.1226653934E-05   -0.1207200536E-05     725.8554741        0.1663280329E-08
J1,K1,R1,R2,RAT=   8   8   -0.1192353704E-02     2.001153264        0.9988076463    
FOB,PFOB,DIAG,PSTEP=   -0.2387068294E-05   -0.2384225398E-05     672.2257691        0.3546832192E-08
J1,K1,R1,R2,RAT=   9   9    0.9973728638E-02     1.989978132        0.9899781323    
FOB,PFOB,DIAG,PSTEP=    0.7258574456E-06    0.7331700608E-06     625.3218752       -0.1172496497E-08
J1,K1,R1,R2,RAT=  10  10   -0.8682075457E-02     2.008668248        0.9913179245    
FOB,PFOB,DIAG,PSTEP=    0.1618154129E-05    0.1604226021E-05     604.4393282       -0.2654091218E-08
J1,K1,R1,R2,RAT=  11  11   -0.3779224933E-02     2.003801308        0.9962207751    
FOB,PFOB,DIAG,PSTEP=   -0.1106580241E-05   -0.1102414017E-05     589.3124244        0.1870657735E-08
J1,K1,R1,R2,RAT= 109 109    0.1225742315E-03     1.999917466        0.9998774258    
FOB,PFOB,DIAG,PSTEP=   -0.7577227952E-04   -0.7578156820E-04     13.77512694        0.5501223428E-05
J1,K1,R1,R2,RAT= 110 110   -0.1516520258         5.834080623        0.8483479742    
FOB,PFOB,DIAG,PSTEP=    0.3694251613E-03    0.3507059576E-03     12.34352361       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4255802291         42.04350824        0.5744197709    
FOB,PFOB,DIAG,PSTEP=   -0.2189032406E-02   -0.2145160077E-02     10.30882689        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.2338699914E-01     2.023186917        0.9766130009    
FOB,PFOB,DIAG,PSTEP=   -0.1660934886E-04   -0.1622974584E-04     9.590315223        0.1692475092E-05
J1,K1,R1,R2,RAT= 113 113   -0.8642116378         249.9931630        0.1357883622    
FOB,PFOB,DIAG,PSTEP=   -0.1131870083E-01   -0.1124071426E-01     7.576562929        0.1191043077E-04
J1,K1,R1,R2,RAT= 114 114    0.9974014184        -459.1435057        0.2598581614E-02
FOB,PFOB,DIAG,PSTEP=   -0.4324186497       -0.4305440284         4.698763390       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002     -0.00001      0.00000      0.00001      0.00001     -0.00001 
    -0.00001      0.00003     -0.00002     -0.00001     -0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00001     -0.00000      0.00003 
     0.00002      0.00003      0.00003     -0.00003     -0.00005     -0.00000 
     0.00003     -0.00002      0.00001      0.00001      0.00001      0.00002 
    -0.00003      0.00003     -0.00002     -0.00000      0.00004     -0.00002 
     0.00000      0.00005      0.00004      0.00003     -0.00003     -0.00001 
    -0.00003      0.00002     -0.00008      0.00001      0.00012      0.00007 
    -0.00003     -0.00004     -0.00004     -0.00000     -0.00013     -0.00005 
    -0.00008      0.00037     -0.00219     -0.00002     -0.01132     -0.43242 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4380209987
 Log product of positive Hessian eigenvalues =          520.2131568988
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6987633901
 Unscaled step for mode    7=        0.0000000017
 Unscaled step for mode    8=        0.0000000036
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000049
 Unscaled step for mode   13=        0.0000000027
 Unscaled step for mode   14=        0.0000000109
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000068
 Unscaled step for mode   17=       -0.0000000062
 Unscaled step for mode   18=       -0.0000000103
 Unscaled step for mode   19=        0.0000000260
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000169
 Unscaled step for mode   22=       -0.0000000061
 Unscaled step for mode   23=        0.0000000031
 Unscaled step for mode   24=       -0.0000000034
 Unscaled step for mode   25=        0.0000000382
 Unscaled step for mode   26=        0.0000000647
 Unscaled step for mode   27=        0.0000000336
 Unscaled step for mode   28=       -0.0000000022
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000596
 Unscaled step for mode   31=        0.0000000192
 Unscaled step for mode   32=        0.0000000083
 Unscaled step for mode   33=       -0.0000000260
 Unscaled step for mode   34=       -0.0000000158
 Unscaled step for mode   35=       -0.0000000735
 Unscaled step for mode   36=       -0.0000000270
 Unscaled step for mode   37=        0.0000000403
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000589
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000695
 Unscaled step for mode   42=        0.0000000239
 Unscaled step for mode   43=       -0.0000000245
 Unscaled step for mode   44=        0.0000000491
 Unscaled step for mode   45=       -0.0000000144
 Unscaled step for mode   46=       -0.0000000581
 Unscaled step for mode   47=        0.0000001122
 Unscaled step for mode   48=       -0.0000000058
 Unscaled step for mode   49=        0.0000000730
 Unscaled step for mode   50=        0.0000000419
 Unscaled step for mode   51=        0.0000000513
 Unscaled step for mode   52=        0.0000000020
 Unscaled step for mode   53=       -0.0000000491
 Unscaled step for mode   54=        0.0000000443
 Unscaled step for mode   55=       -0.0000000977
 Unscaled step for mode   56=        0.0000000330
 Unscaled step for mode   57=       -0.0000000268
 Unscaled step for mode   58=       -0.0000000989
 Unscaled step for mode   59=       -0.0000000416
 Unscaled step for mode   60=        0.0000001042
 Unscaled step for mode   61=        0.0000000949
 Unscaled step for mode   62=       -0.0000002085
 Unscaled step for mode   63=        0.0000001461
 Unscaled step for mode   64=        0.0000000725
 Unscaled step for mode   65=        0.0000000002
 Unscaled step for mode   66=        0.0000001750
 Unscaled step for mode   67=       -0.0000000189
 Unscaled step for mode   68=        0.0000000568
 Unscaled step for mode   69=       -0.0000000185
 Unscaled step for mode   70=        0.0000001324
 Unscaled step for mode   71=        0.0000000190
 Unscaled step for mode   72=       -0.0000003050
 Unscaled step for mode   73=       -0.0000001546
 Unscaled step for mode   74=       -0.0000002820
 Unscaled step for mode   75=       -0.0000003285
 Unscaled step for mode   76=        0.0000002825
 Unscaled step for mode   77=        0.0000005865
 Unscaled step for mode   78=        0.0000000226
 Unscaled step for mode   79=       -0.0000003129
 Unscaled step for mode   80=        0.0000001777
 Unscaled step for mode   81=       -0.0000001846
 Unscaled step for mode   82=       -0.0000001596
 Unscaled step for mode   83=       -0.0000001496
 Unscaled step for mode   84=       -0.0000003110
 Unscaled step for mode   85=        0.0000004763
 Unscaled step for mode   86=       -0.0000004788
 Unscaled step for mode   87=        0.0000002699
 Unscaled step for mode   88=        0.0000000190
 Unscaled step for mode   89=       -0.0000006465
 Unscaled step for mode   90=        0.0000003183
 Unscaled step for mode   91=       -0.0000000122
 Unscaled step for mode   92=       -0.0000008573
 Unscaled step for mode   93=       -0.0000007251
 Unscaled step for mode   94=       -0.0000005716
 Unscaled step for mode   95=        0.0000006724
 Unscaled step for mode   96=        0.0000002296
 Unscaled step for mode   97=        0.0000007209
 Unscaled step for mode   98=       -0.0000005979
 Unscaled step for mode   99=        0.0000021098
 Unscaled step for mode  100=       -0.0000003726
 Unscaled step for mode  101=       -0.0000033281
 Unscaled step for mode  102=       -0.0000024675
 Unscaled step for mode  103=        0.0000010767
 Unscaled step for mode  104=        0.0000015513
 Unscaled step for mode  105=        0.0000016544
 Unscaled step for mode  106=        0.0000000579
 Unscaled step for mode  107=        0.0000063394
 Unscaled step for mode  108=        0.0000032151
 Unscaled step for mode  109=        0.0000055007
 Unscaled step for mode  110=       -0.0000299287
 Unscaled step for mode  111=        0.0002123454
 Unscaled step for mode  112=        0.0000017319
 Unscaled step for mode  113=        0.0014939064
 Unscaled step for mode  114=       -0.0912617064
 Largest modulus ratio of non-zero e/values=           154.4779794    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.873867E-16    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.945424E-16    0.100743E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.690518E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.351634E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.402456E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.675783E-15    0.973690E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.122665E-05    0.725855E+03  0.168994E-08 0.100000E-04    0.983887E+00
   8   -0.238707E-05    0.672226E+03  0.355099E-08 0.100000E-04    0.998808E+00
   9    0.725857E-06    0.625322E+03 -0.116077E-08 0.100000E-04    0.989978E+00
  10    0.161815E-05    0.604439E+03 -0.267712E-08 0.100000E-04    0.991318E+00
  11   -0.110658E-05    0.589312E+03  0.187775E-08 0.100000E-04    0.996221E+00
  12    0.275762E-05    0.566501E+03 -0.486780E-08 0.100000E-04    0.990296E+00
  13   -0.154605E-05    0.565353E+03  0.273467E-08 0.100000E-04    0.978582E+00
  14   -0.523617E-05    0.480063E+03  0.109072E-07 0.100000E-04    0.998562E+00
  15    0.184547E-05    0.467893E+03 -0.394421E-08 0.100000E-04    0.994498E+00
  16    0.316004E-05    0.462283E+03 -0.683572E-08 0.100000E-04    0.990868E+00
  17    0.271553E-05    0.441334E+03 -0.615300E-08 0.100000E-04    0.989154E+00
  18    0.442068E-05    0.430682E+03 -0.102644E-07 0.100000E-04    0.998784E+00
  19   -0.109307E-04    0.421160E+03  0.259538E-07 0.100000E-04    0.995177E+00
  20    0.897934E-05    0.406832E+03 -0.220714E-07 0.100000E-04    0.998574E+00
  21    0.674446E-05    0.397963E+03 -0.169475E-07 0.100000E-04    0.996687E+00
  22    0.238323E-05    0.388752E+03 -0.613045E-08 0.100000E-04    0.984059E+00
  23   -0.114494E-05    0.367229E+03  0.311778E-08 0.100000E-04    0.997138E+00
  24    0.121746E-05    0.362886E+03 -0.335495E-08 0.100000E-04    0.986906E+00
  25   -0.134420E-04    0.351768E+03  0.382126E-07 0.100000E-04    0.995866E+00
  26   -0.219787E-04    0.339546E+03  0.647296E-07 0.100000E-04    0.995063E+00
  27   -0.109088E-04    0.324776E+03  0.335886E-07 0.100000E-04    0.995943E+00
  28    0.710777E-06    0.321681E+03 -0.220957E-08 0.100000E-04    0.843932E+00
  29   -0.339841E-07    0.318928E+03  0.106557E-09 0.100000E-04    0.321819E+00
  30   -0.188243E-04    0.316025E+03  0.595658E-07 0.100000E-04    0.996766E+00
  31   -0.586976E-05    0.304982E+03  0.192463E-07 0.100000E-04    0.993731E+00
  32   -0.238091E-05    0.287712E+03  0.827531E-08 0.100000E-04    0.986685E+00
  33    0.726159E-05    0.279453E+03 -0.259850E-07 0.100000E-04    0.993373E+00
  34    0.428053E-05    0.270930E+03 -0.157994E-07 0.100000E-04    0.989446E+00
  35    0.195542E-04    0.265965E+03 -0.735216E-07 0.100000E-04    0.997785E+00
  36    0.711222E-05    0.263100E+03 -0.270324E-07 0.100000E-04    0.990115E+00
  37   -0.104183E-04    0.258269E+03  0.403390E-07 0.100000E-04    0.994344E+00
  38   -0.373770E-05    0.253613E+03  0.147378E-07 0.100000E-04    0.997658E+00
  39   -0.142996E-04    0.242919E+03  0.588660E-07 0.100000E-04    0.996130E+00
  40    0.994709E-05    0.238136E+03 -0.417705E-07 0.100000E-04    0.999925E+00
  41    0.163676E-04    0.235427E+03 -0.695233E-07 0.100000E-04    0.989643E+00
  42   -0.546634E-05    0.228701E+03  0.239017E-07 0.100000E-04    0.994541E+00
  43    0.545787E-05    0.222674E+03 -0.245106E-07 0.100000E-04    0.993019E+00
  44   -0.104481E-04    0.212884E+03  0.490789E-07 0.100000E-04    0.994094E+00
  45    0.304772E-05    0.211673E+03 -0.143983E-07 0.100000E-04    0.997285E+00
  46    0.121177E-04    0.208555E+03 -0.581032E-07 0.100000E-04    0.994914E+00
  47   -0.228064E-04    0.203221E+03  0.112225E-06 0.100000E-04    0.997039E+00
  48    0.115856E-05    0.198120E+03 -0.584777E-08 0.100000E-04    0.978587E+00
  49   -0.142712E-04    0.195518E+03  0.729920E-07 0.100000E-04    0.995904E+00
  50   -0.802946E-05    0.191607E+03  0.419058E-07 0.100000E-04    0.991528E+00
  51   -0.951282E-05    0.185539E+03  0.512713E-07 0.100000E-04    0.996579E+00
  52   -0.348805E-06    0.176649E+03  0.197456E-08 0.100000E-04    0.984216E+00
  53    0.840281E-05    0.171108E+03 -0.491081E-07 0.100000E-04    0.996388E+00
  54   -0.743109E-05    0.167809E+03  0.442832E-07 0.100000E-04    0.993566E+00
  55    0.161782E-04    0.165587E+03 -0.977021E-07 0.100000E-04    0.997401E+00
  56   -0.527572E-05    0.160075E+03  0.329577E-07 0.100000E-04    0.995246E+00
  57    0.410829E-05    0.153509E+03 -0.267626E-07 0.100000E-04    0.991382E+00
  58    0.149327E-04    0.150960E+03 -0.989184E-07 0.100000E-04    0.993953E+00
  59    0.620315E-05    0.149117E+03 -0.415992E-07 0.100000E-04    0.992088E+00
  60   -0.148935E-04    0.142944E+03  0.104191E-06 0.100000E-04    0.997500E+00
  61   -0.129952E-04    0.136954E+03  0.948876E-07 0.100000E-04    0.991363E+00
  62    0.282026E-04    0.135253E+03 -0.208517E-06 0.100000E-04    0.996851E+00
  63   -0.191188E-04    0.130877E+03  0.146082E-06 0.100000E-04    0.994921E+00
  64   -0.926162E-05    0.127678E+03  0.725388E-07 0.100000E-04    0.989997E+00
  65   -0.237880E-07    0.126030E+03  0.188748E-09 0.100000E-04    0.382939E+01
  66   -0.219132E-04    0.125245E+03  0.174962E-06 0.100000E-04    0.995252E+00
  67    0.225591E-05    0.119519E+03 -0.188750E-07 0.100000E-04    0.997214E+00
  68   -0.670185E-05    0.117967E+03  0.568111E-07 0.100000E-04    0.994406E+00
  69    0.216409E-05    0.116749E+03 -0.185362E-07 0.100000E-04    0.980122E+00
  70   -0.148133E-04    0.111855E+03  0.132433E-06 0.100000E-04    0.996179E+00
  71   -0.207789E-05    0.109146E+03  0.190376E-07 0.100000E-04    0.985846E+00
  72    0.320736E-04    0.105167E+03 -0.304977E-06 0.100000E-04    0.993003E+00
  73    0.159129E-04    0.102926E+03 -0.154605E-06 0.100000E-04    0.993632E+00
  74    0.282171E-04    0.100073E+03 -0.281965E-06 0.100000E-04    0.996838E+00
  75    0.318125E-04    0.968482E+02 -0.328478E-06 0.100000E-04    0.992702E+00
  76   -0.268740E-04    0.951209E+02  0.282525E-06 0.100000E-04    0.997556E+00
  77   -0.536334E-04    0.914425E+02  0.586526E-06 0.100000E-04    0.996830E+00
  78   -0.205334E-05    0.906790E+02  0.226440E-07 0.100000E-04    0.995306E+00
  79    0.279549E-04    0.893408E+02 -0.312901E-06 0.100000E-04    0.996718E+00
  80   -0.150448E-04    0.846542E+02  0.177720E-06 0.100000E-04    0.995795E+00
  81    0.149372E-04    0.809019E+02 -0.184633E-06 0.100000E-04    0.995534E+00
  82    0.126864E-04    0.794644E+02 -0.159649E-06 0.100000E-04    0.996786E+00
  83    0.117451E-04    0.784846E+02 -0.149648E-06 0.100000E-04    0.999659E+00
  84    0.226307E-04    0.727716E+02 -0.310982E-06 0.100000E-04    0.992180E+00
  85   -0.341476E-04    0.716881E+02  0.476336E-06 0.100000E-04    0.994290E+00
  86    0.327791E-04    0.684613E+02 -0.478797E-06 0.100000E-04    0.994851E+00
  87   -0.183056E-04    0.678354E+02  0.269852E-06 0.100000E-04    0.973382E+00
  88   -0.120157E-05    0.633916E+02  0.189548E-07 0.100000E-04    0.987335E+00
  89    0.396727E-04    0.613639E+02 -0.646516E-06 0.100000E-04    0.995244E+00
  90   -0.189906E-04    0.596542E+02  0.318344E-06 0.100000E-04    0.991562E+00
  91    0.720997E-06    0.588775E+02 -0.122457E-07 0.100000E-04    0.983426E+00
  92    0.479269E-04    0.559063E+02 -0.857270E-06 0.100000E-04    0.996838E+00
  93    0.386420E-04    0.532897E+02 -0.725130E-06 0.100000E-04    0.998052E+00
  94    0.298556E-04    0.522270E+02 -0.571650E-06 0.100000E-04    0.993080E+00
  95   -0.337869E-04    0.502455E+02  0.672437E-06 0.100000E-04    0.999268E+00
  96   -0.109992E-04    0.479028E+02  0.229615E-06 0.100000E-04    0.996522E+00
  97   -0.311337E-04    0.431890E+02  0.720873E-06 0.100000E-04    0.993603E+00
  98    0.239701E-04    0.400938E+02 -0.597852E-06 0.100000E-04    0.994139E+00
  99   -0.780949E-04    0.370160E+02  0.210976E-05 0.100000E-04    0.990694E+00
 100    0.133784E-04    0.359060E+02 -0.372596E-06 0.100000E-04    0.969167E+00
 101    0.118265E-03    0.355354E+02 -0.332810E-05 0.100000E-04    0.999060E+00
 102    0.713267E-04    0.289069E+02 -0.246747E-05 0.100000E-04    0.994603E+00
 103   -0.309561E-04    0.287516E+02  0.107667E-05 0.100000E-04    0.998607E+00
 104   -0.442436E-04    0.285210E+02  0.155126E-05 0.100000E-04    0.990934E+00
 105   -0.380432E-04    0.229947E+02  0.165443E-05 0.100000E-04    0.994566E+00
 106   -0.126798E-05    0.219106E+02  0.578707E-07 0.100000E-04    0.474903E+00
 107   -0.125678E-03    0.198249E+02  0.633938E-05 0.100000E-04    0.998235E+00
 108   -0.540341E-04    0.168064E+02  0.321508E-05 0.100000E-04    0.987661E+00
 109   -0.757723E-04    0.137751E+02  0.550066E-05 0.100000E-04    0.999877E+00
 110    0.369425E-03    0.123435E+02 -0.100000E-04 0.100000E-04    0.848348E+00
 111   -0.218903E-02    0.103088E+02  0.100000E-04 0.100000E-04    0.574420E+00
 112   -0.166093E-04    0.959032E+01  0.173189E-05 0.100000E-04    0.976613E+00
 113   -0.113187E-01    0.757656E+01  0.129824E-04 0.129824E-04    0.135788E+00
 114   -0.432419E+00    0.469876E+01 -0.400000E-03 0.400000E-03    0.259858E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9126170639E-01

 Beginning of optimization cycle  207.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3832873279
 potential> RMS force:                                               0.0406897414   |gradient|=.4344475532    
 Eigenvalues of the Hessian matrix:
   725.91593    672.23878    625.33685    604.44350    589.30579    566.53328 
   565.37726    480.08379    467.86989    462.27409    441.33325    430.67324 
   421.16732    406.84206    397.95865    388.75480    367.23302    362.87608 
   351.76059    339.51190    324.78307    321.67748    318.94239    315.99794 
   304.97632    287.71722    279.44776    270.92584    265.96982    263.11012 
   258.27740    253.61535    242.91141    238.12462    235.43606    228.70128 
   222.65464    212.88895    211.67729    208.54206    203.22403    198.11626 
   195.51762    191.60724    185.52890    176.63537    171.11386    167.80475 
   165.58494    160.06837    153.50995    150.95963    149.11882    142.94660 
   136.95458    135.25885    130.87515    127.67927    126.03179    125.25073 
   119.52011    117.96778    116.75192    111.84785    109.13532    105.16362 
   102.92773    100.06977     96.84181     95.12125     91.45272     90.67368 
    89.35012     84.65649     80.90218     79.46769     78.48268     72.77018 
    71.69175     68.45499     67.83230     63.39113     61.35401     59.65437 
    58.87988     55.90760     53.28543     52.22697     50.24427     47.90110 
    43.18518     40.09611     37.01647     35.89824     35.54211     28.90551 
    28.75111     28.51295     22.99226     21.90914     19.82884     16.80709 
    13.77486     12.34217     10.29704      9.59124      7.57533      4.69626 
overlap for current and previous eigenvector    109 is        -0.9999990075
overlap for current and previous eigenvector    110 is        -0.9999988682
overlap for current and previous eigenvector    111 is        -0.9999842115
overlap for current and previous eigenvector    112 is        -0.9999861432
overlap for current and previous eigenvector    113 is        -0.9999980700
overlap for current and previous eigenvector    114 is         0.9999996013
J1,K1,R1,R2,RAT=   7   7   -0.1351252337E-01     2.013345965        0.9864874766    
FOB,PFOB,DIAG,PSTEP=   -0.1243230504E-05   -0.1226653934E-05     725.9159279        0.1689942389E-08
J1,K1,R1,R2,RAT=   8   8   -0.1234949528E-01     2.012310780        0.9876505047    
FOB,PFOB,DIAG,PSTEP=   -0.2416547953E-05   -0.2387068294E-05     672.2387821        0.3550991949E-08
J1,K1,R1,R2,RAT=   9   9   -0.1069786075E-02     2.001021889        0.9989302139    
FOB,PFOB,DIAG,PSTEP=    0.7266339763E-06    0.7258574456E-06     625.3368510       -0.1160774114E-08
J1,K1,R1,R2,RAT=  10  10    0.5074619097E-02     1.994911572        0.9949115723    
FOB,PFOB,DIAG,PSTEP=    0.1609942556E-05    0.1618154129E-05     604.4435014       -0.2677115888E-08
J1,K1,R1,R2,RAT=  11  11    0.8974433932E-03     1.999125083        0.9991025566    
FOB,PFOB,DIAG,PSTEP=   -0.1105587159E-05   -0.1106580241E-05     589.3057869        0.1877748026E-08
J1,K1,R1,R2,RAT= 109 109     2.000901319       -0.8622197996E-03    0.9991377802    
FOB,PFOB,DIAG,PSTEP=    0.7583761060E-04   -0.7577227952E-04     13.77485765        0.5500659255E-05
J1,K1,R1,R2,RAT= 110 110     6.139773217       -0.1533834598        0.8466165402    
FOB,PFOB,DIAG,PSTEP=   -0.3883560066E-03    0.3694251613E-03     12.34216869       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     42.95535899       -0.4376490895        0.5623509105    
FOB,PFOB,DIAG,PSTEP=    0.2234097300E-02   -0.2189032406E-02     10.29703816        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.087226822       -0.8742022616E-01    0.9125797738    
FOB,PFOB,DIAG,PSTEP=    0.1806148232E-04   -0.1660934886E-04     9.591242716        0.1731887689E-05
J1,K1,R1,R2,RAT= 113 113     230.8937849       -0.7120504344        0.2879495656    
FOB,PFOB,DIAG,PSTEP=    0.1138872798E-01   -0.1131870083E-01     7.575333397        0.1298236954E-04
J1,K1,R1,R2,RAT= 114 114    0.9973839164        -461.3836671        0.2616083644E-02
FOB,PFOB,DIAG,PSTEP=   -0.4342922390       -0.4324186497         4.696259050       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002     -0.00001      0.00000     -0.00002      0.00001      0.00001 
     0.00001     -0.00003      0.00002      0.00001      0.00000      0.00002 
    -0.00000      0.00001     -0.00000      0.00001     -0.00000      0.00003 
    -0.00002      0.00003     -0.00003      0.00003      0.00005     -0.00000 
    -0.00003      0.00002      0.00001      0.00001     -0.00001      0.00002 
     0.00003      0.00003      0.00002     -0.00000      0.00004     -0.00002 
    -0.00000     -0.00005      0.00004      0.00003      0.00003     -0.00001 
     0.00003      0.00002     -0.00008     -0.00001      0.00012      0.00007 
    -0.00003     -0.00004     -0.00004      0.00000      0.00013      0.00005 
     0.00008     -0.00039      0.00223      0.00002      0.01139     -0.43429 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4379851664
 Log product of positive Hessian eigenvalues =          520.2104880290
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6962590496
 Unscaled step for mode    7=        0.0000000017
 Unscaled step for mode    8=        0.0000000036
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000048
 Unscaled step for mode   13=        0.0000000028
 Unscaled step for mode   14=        0.0000000109
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000069
 Unscaled step for mode   17=       -0.0000000062
 Unscaled step for mode   18=       -0.0000000103
 Unscaled step for mode   19=        0.0000000260
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000170
 Unscaled step for mode   22=       -0.0000000062
 Unscaled step for mode   23=        0.0000000031
 Unscaled step for mode   24=       -0.0000000033
 Unscaled step for mode   25=        0.0000000384
 Unscaled step for mode   26=        0.0000000650
 Unscaled step for mode   27=        0.0000000338
 Unscaled step for mode   28=       -0.0000000025
 Unscaled step for mode   29=       -0.0000000000
 Unscaled step for mode   30=        0.0000000599
 Unscaled step for mode   31=        0.0000000195
 Unscaled step for mode   32=        0.0000000084
 Unscaled step for mode   33=       -0.0000000261
 Unscaled step for mode   34=       -0.0000000159
 Unscaled step for mode   35=       -0.0000000738
 Unscaled step for mode   36=       -0.0000000273
 Unscaled step for mode   37=        0.0000000406
 Unscaled step for mode   38=        0.0000000148
 Unscaled step for mode   39=        0.0000000590
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000703
 Unscaled step for mode   42=        0.0000000241
 Unscaled step for mode   43=       -0.0000000248
 Unscaled step for mode   44=        0.0000000497
 Unscaled step for mode   45=       -0.0000000142
 Unscaled step for mode   46=       -0.0000000585
 Unscaled step for mode   47=        0.0000001128
 Unscaled step for mode   48=       -0.0000000060
 Unscaled step for mode   49=        0.0000000735
 Unscaled step for mode   50=        0.0000000418
 Unscaled step for mode   51=        0.0000000516
 Unscaled step for mode   52=        0.0000000021
 Unscaled step for mode   53=        0.0000000493
 Unscaled step for mode   54=        0.0000000447
 Unscaled step for mode   55=       -0.0000000980
 Unscaled step for mode   56=        0.0000000330
 Unscaled step for mode   57=       -0.0000000270
 Unscaled step for mode   58=        0.0000000994
 Unscaled step for mode   59=       -0.0000000415
 Unscaled step for mode   60=       -0.0000001048
 Unscaled step for mode   61=       -0.0000000953
 Unscaled step for mode   62=        0.0000002089
 Unscaled step for mode   63=       -0.0000001463
 Unscaled step for mode   64=       -0.0000000734
 Unscaled step for mode   65=       -0.0000000002
 Unscaled step for mode   66=       -0.0000001754
 Unscaled step for mode   67=        0.0000000192
 Unscaled step for mode   68=       -0.0000000570
 Unscaled step for mode   69=        0.0000000187
 Unscaled step for mode   70=       -0.0000001335
 Unscaled step for mode   71=        0.0000000193
 Unscaled step for mode   72=       -0.0000003063
 Unscaled step for mode   73=        0.0000001557
 Unscaled step for mode   74=       -0.0000002821
 Unscaled step for mode   75=        0.0000003312
 Unscaled step for mode   76=       -0.0000002834
 Unscaled step for mode   77=       -0.0000005889
 Unscaled step for mode   78=        0.0000000222
 Unscaled step for mode   79=        0.0000003109
 Unscaled step for mode   80=       -0.0000001787
 Unscaled step for mode   81=       -0.0000001853
 Unscaled step for mode   82=       -0.0000001583
 Unscaled step for mode   83=        0.0000001507
 Unscaled step for mode   84=       -0.0000003122
 Unscaled step for mode   85=       -0.0000004772
 Unscaled step for mode   86=       -0.0000004756
 Unscaled step for mode   87=       -0.0000002772
 Unscaled step for mode   88=        0.0000000181
 Unscaled step for mode   89=       -0.0000006488
 Unscaled step for mode   90=        0.0000003185
 Unscaled step for mode   91=        0.0000000122
 Unscaled step for mode   92=        0.0000008610
 Unscaled step for mode   93=       -0.0000007241
 Unscaled step for mode   94=       -0.0000005736
 Unscaled step for mode   95=       -0.0000006708
 Unscaled step for mode   96=        0.0000002305
 Unscaled step for mode   97=       -0.0000007216
 Unscaled step for mode   98=       -0.0000006006
 Unscaled step for mode   99=        0.0000021196
 Unscaled step for mode  100=        0.0000003640
 Unscaled step for mode  101=       -0.0000033276
 Unscaled step for mode  102=       -0.0000024731
 Unscaled step for mode  103=        0.0000010728
 Unscaled step for mode  104=        0.0000015539
 Unscaled step for mode  105=        0.0000016614
 Unscaled step for mode  106=       -0.0000000457
 Unscaled step for mode  107=       -0.0000063397
 Unscaled step for mode  108=       -0.0000031972
 Unscaled step for mode  109=       -0.0000055055
 Unscaled step for mode  110=        0.0000314658
 Unscaled step for mode  111=       -0.0002169650
 Unscaled step for mode  112=       -0.0000018831
 Unscaled step for mode  113=       -0.0015033929
 Unscaled step for mode  114=       -0.0916986115
 Largest modulus ratio of non-zero e/values=           154.5732295    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.982721E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.143548E-15    0.100742E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.462008E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.510009E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.531584E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.513858E-15    0.973692E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.124323E-05    0.725916E+03  0.171264E-08 0.100000E-04    0.986487E+00
   8   -0.241655E-05    0.672239E+03  0.359478E-08 0.100000E-04    0.987651E+00
   9    0.726634E-06    0.625337E+03 -0.116199E-08 0.100000E-04    0.998930E+00
  10    0.160994E-05    0.604444E+03 -0.266351E-08 0.100000E-04    0.994912E+00
  11   -0.110559E-05    0.589306E+03  0.187608E-08 0.100000E-04    0.999103E+00
  12    0.272088E-05    0.566533E+03 -0.480269E-08 0.100000E-04    0.986566E+00
  13   -0.160785E-05    0.565377E+03  0.284385E-08 0.100000E-04    0.960031E+00
  14   -0.521486E-05    0.480084E+03  0.108624E-07 0.100000E-04    0.995845E+00
  15    0.185444E-05    0.467870E+03 -0.396358E-08 0.100000E-04    0.995140E+00
  16    0.317625E-05    0.462274E+03 -0.687093E-08 0.100000E-04    0.994868E+00
  17    0.271994E-05    0.441333E+03 -0.616300E-08 0.100000E-04    0.998377E+00
  18    0.443121E-05    0.430673E+03 -0.102890E-07 0.100000E-04    0.997618E+00
  19   -0.109691E-04    0.421167E+03  0.260444E-07 0.100000E-04    0.996492E+00
  20    0.896773E-05    0.406842E+03 -0.220423E-07 0.100000E-04    0.998656E+00
  21    0.675268E-05    0.397959E+03 -0.169683E-07 0.100000E-04    0.998782E+00
  22    0.241459E-05    0.388755E+03 -0.621109E-08 0.100000E-04    0.986841E+00
  23   -0.112538E-05    0.367233E+03  0.306448E-08 0.100000E-04    0.982892E+00
  24    0.120173E-05    0.362876E+03 -0.331168E-08 0.100000E-04    0.987077E+00
  25   -0.134979E-04    0.351761E+03  0.383724E-07 0.100000E-04    0.995839E+00
  26   -0.220759E-04    0.339512E+03  0.650226E-07 0.100000E-04    0.995574E+00
  27   -0.109634E-04    0.324783E+03  0.337561E-07 0.100000E-04    0.994994E+00
  28    0.800051E-06    0.321677E+03 -0.248712E-08 0.100000E-04    0.874399E+00
  29    0.121255E-07    0.318942E+03 -0.380179E-10 0.100000E-04    0.356739E+00
  30   -0.189179E-04    0.315998E+03  0.598671E-07 0.100000E-04    0.995027E+00
  31   -0.593539E-05    0.304976E+03  0.194618E-07 0.100000E-04    0.988818E+00
  32   -0.240437E-05    0.287717E+03  0.835673E-08 0.100000E-04    0.990143E+00
  33    0.728524E-05    0.279448E+03 -0.260701E-07 0.100000E-04    0.996743E+00
  34    0.430267E-05    0.270926E+03 -0.158814E-07 0.100000E-04    0.994828E+00
  35    0.196304E-04    0.265970E+03 -0.738068E-07 0.100000E-04    0.996103E+00
  36    0.718324E-05    0.263110E+03 -0.273013E-07 0.100000E-04    0.990014E+00
  37   -0.104767E-04    0.258277E+03  0.405637E-07 0.100000E-04    0.994396E+00
  38   -0.374168E-05    0.253615E+03  0.147534E-07 0.100000E-04    0.998936E+00
  39   -0.143393E-04    0.242911E+03  0.590310E-07 0.100000E-04    0.997226E+00
  40    0.996356E-05    0.238125E+03 -0.418418E-07 0.100000E-04    0.998344E+00
  41    0.165474E-04    0.235436E+03 -0.702841E-07 0.100000E-04    0.989015E+00
  42   -0.551165E-05    0.228701E+03  0.240998E-07 0.100000E-04    0.991711E+00
  43    0.552189E-05    0.222655E+03 -0.248003E-07 0.100000E-04    0.988269E+00
  44   -0.105795E-04    0.212889E+03  0.496949E-07 0.100000E-04    0.987424E+00
  45    0.300373E-05    0.211677E+03 -0.141901E-07 0.100000E-04    0.985523E+00
  46    0.122093E-04    0.208542E+03 -0.585458E-07 0.100000E-04    0.992443E+00
  47   -0.229154E-04    0.203224E+03  0.112760E-06 0.100000E-04    0.995216E+00
  48    0.118643E-05    0.198116E+03 -0.598854E-08 0.100000E-04    0.975947E+00
  49   -0.143708E-04    0.195518E+03  0.735013E-07 0.100000E-04    0.993023E+00
  50   -0.801390E-05    0.191607E+03  0.418246E-07 0.100000E-04    0.998062E+00
  51   -0.958055E-05    0.185529E+03  0.516391E-07 0.100000E-04    0.992879E+00
  52   -0.368577E-06    0.176635E+03  0.208665E-08 0.100000E-04    0.943310E+00
  53   -0.843586E-05    0.171114E+03  0.492997E-07 0.100000E-04    0.996067E+00
  54   -0.750813E-05    0.167805E+03  0.447432E-07 0.100000E-04    0.989633E+00
  55    0.162340E-04    0.165585E+03 -0.980400E-07 0.100000E-04    0.996555E+00
  56   -0.527631E-05    0.160068E+03  0.329628E-07 0.100000E-04    0.999888E+00
  57    0.414294E-05    0.153510E+03 -0.269881E-07 0.100000E-04    0.991567E+00
  58   -0.150108E-04    0.150960E+03  0.994362E-07 0.100000E-04    0.994766E+00
  59    0.619028E-05    0.149119E+03 -0.415124E-07 0.100000E-04    0.997901E+00
  60    0.149742E-04    0.142947E+03 -0.104754E-06 0.100000E-04    0.994577E+00
  61    0.130561E-04    0.136955E+03 -0.953317E-07 0.100000E-04    0.995316E+00
  62   -0.282517E-04    0.135259E+03  0.208871E-06 0.100000E-04    0.998259E+00
  63    0.191417E-04    0.130875E+03 -0.146259E-06 0.100000E-04    0.998802E+00
  64    0.936711E-05    0.127679E+03 -0.733644E-07 0.100000E-04    0.988610E+00
  65    0.218312E-07    0.126032E+03 -0.173220E-09 0.100000E-04    0.917716E+00
  66    0.219652E-04    0.125251E+03 -0.175369E-06 0.100000E-04    0.997627E+00
  67   -0.229732E-05    0.119520E+03  0.192212E-07 0.100000E-04    0.981643E+00
  68    0.672496E-05    0.117968E+03 -0.570067E-07 0.100000E-04    0.996552E+00
  69   -0.217917E-05    0.116752E+03  0.186650E-07 0.100000E-04    0.993029E+00
  70    0.149355E-04    0.111848E+03 -0.133534E-06 0.100000E-04    0.991747E+00
  71   -0.210631E-05    0.109135E+03  0.193000E-07 0.100000E-04    0.986318E+00
  72    0.322145E-04    0.105164E+03 -0.306327E-06 0.100000E-04    0.995608E+00
  73   -0.160230E-04    0.102928E+03  0.155672E-06 0.100000E-04    0.993081E+00
  74    0.282336E-04    0.100070E+03 -0.282139E-06 0.100000E-04    0.999415E+00
  75   -0.320743E-04    0.968418E+02  0.331203E-06 0.100000E-04    0.991769E+00
  76    0.269582E-04    0.951212E+02 -0.283408E-06 0.100000E-04    0.996870E+00
  77    0.538544E-04    0.914527E+02 -0.588877E-06 0.100000E-04    0.995881E+00
  78   -0.201698E-05    0.906737E+02  0.222444E-07 0.100000E-04    0.982295E+00
  79   -0.277800E-04    0.893501E+02  0.310912E-06 0.100000E-04    0.993537E+00
  80    0.151289E-04    0.846565E+02 -0.178710E-06 0.100000E-04    0.994404E+00
  81    0.149884E-04    0.809022E+02 -0.185265E-06 0.100000E-04    0.996573E+00
  82    0.125818E-04    0.794677E+02 -0.158326E-06 0.100000E-04    0.991675E+00
  83   -0.118258E-04    0.784827E+02  0.150681E-06 0.100000E-04    0.993126E+00
  84    0.227171E-04    0.727702E+02 -0.312176E-06 0.100000E-04    0.996182E+00
  85    0.342119E-04    0.716917E+02 -0.477209E-06 0.100000E-04    0.998117E+00
  86    0.325581E-04    0.684550E+02 -0.475613E-06 0.100000E-04    0.993258E+00
  87    0.188021E-04    0.678323E+02 -0.277185E-06 0.100000E-04    0.972875E+00
  88   -0.115044E-05    0.633911E+02  0.181483E-07 0.100000E-04    0.957447E+00
  89    0.398048E-04    0.613540E+02 -0.648772E-06 0.100000E-04    0.996671E+00
  90   -0.189971E-04    0.596544E+02  0.318452E-06 0.100000E-04    0.999659E+00
  91   -0.721010E-06    0.588799E+02  0.122454E-07 0.100000E-04    0.999937E+00
  92   -0.481365E-04    0.559076E+02  0.861001E-06 0.100000E-04    0.995626E+00
  93    0.385841E-04    0.532854E+02 -0.724103E-06 0.100000E-04    0.998503E+00
  94    0.299557E-04    0.522270E+02 -0.573567E-06 0.100000E-04    0.996648E+00
  95    0.337036E-04    0.502443E+02 -0.670794E-06 0.100000E-04    0.997533E+00
  96   -0.110436E-04    0.479011E+02  0.230550E-06 0.100000E-04    0.995966E+00
  97    0.311638E-04    0.431852E+02 -0.721632E-06 0.100000E-04    0.999034E+00
  98    0.240812E-04    0.400961E+02 -0.600588E-06 0.100000E-04    0.995366E+00
  99   -0.784590E-04    0.370165E+02  0.211957E-05 0.100000E-04    0.995338E+00
 100   -0.130681E-04    0.358982E+02  0.364032E-06 0.100000E-04    0.976800E+00
 101    0.118270E-03    0.355421E+02 -0.332761E-05 0.100000E-04    0.999663E+00
 102    0.714852E-04    0.289055E+02 -0.247307E-05 0.100000E-04    0.997778E+00
 103   -0.308437E-04    0.287511E+02  0.107278E-05 0.100000E-04    0.996372E+00
 104   -0.443056E-04    0.285129E+02  0.155388E-05 0.100000E-04    0.998597E+00
 105   -0.381995E-04    0.229923E+02  0.166141E-05 0.100000E-04    0.995889E+00
 106    0.100080E-05    0.219091E+02 -0.456794E-07 0.100000E-04    0.789269E+00
 107    0.125708E-03    0.198288E+02 -0.633967E-05 0.100000E-04    0.999757E+00
 108    0.537352E-04    0.168071E+02 -0.319717E-05 0.100000E-04    0.994393E+00
 109    0.758376E-04    0.137749E+02 -0.550551E-05 0.100000E-04    0.999138E+00
 110   -0.388356E-03    0.123422E+02  0.100000E-04 0.100000E-04    0.846617E+00
 111    0.223410E-02    0.102970E+02 -0.100000E-04 0.100000E-04    0.562351E+00
 112    0.180615E-04    0.959124E+01 -0.188312E-05 0.100000E-04    0.912580E+00
 113    0.113887E-01    0.757533E+01 -0.116958E-04 0.116958E-04    0.287950E+00
 114   -0.434292E+00    0.469626E+01 -0.400000E-03 0.400000E-03    0.261608E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9169861147E-01

 Beginning of optimization cycle  208.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3831133945
 potential> RMS force:                                               0.0408652791   |gradient|=.4363217823    
 Eigenvalues of the Hessian matrix:
   725.97643    672.25188    625.35182    604.44743    589.29922    566.56560 
   565.40166    480.10470    467.84698    462.26490    441.33269    430.66426 
   421.17418    406.85256    397.95453    388.75716    367.23690    362.86636 
   351.75281    339.47765    324.79004    321.67412    318.95652    315.97074 
   304.97094    287.72255    279.44238    270.92154    265.97456    263.12021 
   258.28542    253.61803    242.90421    238.11290    235.44542    228.70186 
   222.63493    212.89432    211.68189    208.52954    203.22734    198.11231 
   195.51737    191.60706    185.51903    176.62160    171.11938    167.80097 
   165.58268    160.06153    153.51133    150.95957    149.12053    142.94962 
   136.95506    135.26426    130.87357    127.68034    126.03331    125.25595 
   119.52159    117.96838    116.75470    111.84060    109.12434    105.16007 
   102.92925    100.06630     96.83543     95.12156     91.46295     90.66833 
    89.35936     84.65876     80.90243     79.47096     78.48074     72.76876 
    71.69547     68.44883     67.82903     63.39061     61.34419     59.65453 
    58.88224     55.90889     53.28118     52.22694     50.24307     47.89944 
    43.18140     40.09847     37.01703     35.89050     35.54888     28.90415 
    28.75064     28.50486     22.98979     21.90762     19.83281     16.80772 
    13.77460     12.34082     10.28530      9.59213      7.57409      4.69373 
overlap for current and previous eigenvector    109 is         0.9999990192
overlap for current and previous eigenvector    110 is         0.9999988815
overlap for current and previous eigenvector    111 is         0.9999832988
overlap for current and previous eigenvector    112 is         0.9999851962
overlap for current and previous eigenvector    113 is        -0.9999980449
overlap for current and previous eigenvector    114 is        -0.9999996037
J1,K1,R1,R2,RAT=   7   7   -0.1576628530E-01     2.015599618        0.9842337147    
FOB,PFOB,DIAG,PSTEP=   -0.1262833264E-05   -0.1243230504E-05     725.9764262        0.1712637037E-08
J1,K1,R1,R2,RAT=   8   8   -0.1266717836E-02     2.001227738        0.9987332822    
FOB,PFOB,DIAG,PSTEP=   -0.2419609097E-05   -0.2416547953E-05     672.2518841        0.3594776168E-08
J1,K1,R1,R2,RAT=   9   9    0.1005865813E-01     1.989893466        0.9898934665    
FOB,PFOB,DIAG,PSTEP=    0.7193248386E-06    0.7266339763E-06     625.3518205       -0.1161988095E-08
J1,K1,R1,R2,RAT=  10  10   -0.8604196635E-02     2.008591181        0.9913958034    
FOB,PFOB,DIAG,PSTEP=    0.1623794909E-05    0.1609942556E-05     604.4474350       -0.2663512061E-08
J1,K1,R1,R2,RAT=  11  11   -0.3696589422E-02     2.003718891        0.9963034106    
FOB,PFOB,DIAG,PSTEP=   -0.1109674016E-05   -0.1105587159E-05     589.2992157        0.1876084002E-08
J1,K1,R1,R2,RAT= 109 109    0.1261893103E-03     1.999911514        0.9998738107    
FOB,PFOB,DIAG,PSTEP=    0.7582804089E-04    0.7583761060E-04     13.77459798       -0.5505509569E-05
J1,K1,R1,R2,RAT= 110 110   -0.1632799832         6.457125047        0.8367200168    
FOB,PFOB,DIAG,PSTEP=   -0.4085060934E-03   -0.3883560066E-03     12.34081877        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4332221423         43.87573252        0.5667778577    
FOB,PFOB,DIAG,PSTEP=    0.2278655517E-02    0.2234097300E-02     10.28530479       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.2747195561E-01     2.027287881        0.9725280444    
FOB,PFOB,DIAG,PSTEP=    0.1855771224E-04    0.1806148232E-04     9.592125548       -0.1883122225E-05
J1,K1,R1,R2,RAT= 113 113     258.0200263       -0.8953926973        0.1046073027    
FOB,PFOB,DIAG,PSTEP=   -0.1146804659E-01    0.1138872798E-01     7.574091400       -0.1169582842E-04
J1,K1,R1,R2,RAT= 114 114    -463.6271048        0.9973767836        0.2623216423E-02
FOB,PFOB,DIAG,PSTEP=    0.4361648078       -0.4342922390         4.693734672       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00000      0.00002     -0.00001     -0.00002 
     0.00001     -0.00003      0.00002     -0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000     -0.00001      0.00000     -0.00003 
     0.00002     -0.00003      0.00003     -0.00003     -0.00005      0.00000 
    -0.00003     -0.00002      0.00002      0.00001      0.00001     -0.00002 
     0.00003     -0.00003     -0.00002     -0.00000     -0.00004      0.00002 
    -0.00000     -0.00005     -0.00004     -0.00003     -0.00003      0.00001 
     0.00003      0.00002     -0.00008      0.00001      0.00012      0.00007 
    -0.00003     -0.00004     -0.00004      0.00000      0.00013     -0.00005 
     0.00008     -0.00041      0.00228      0.00002     -0.01147      0.43616 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4379455535
 Log product of positive Hessian eigenvalues =          520.2078194364
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6937346725
 Unscaled step for mode    7=        0.0000000017
 Unscaled step for mode    8=        0.0000000036
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000048
 Unscaled step for mode   13=        0.0000000029
 Unscaled step for mode   14=        0.0000000108
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000069
 Unscaled step for mode   17=       -0.0000000062
 Unscaled step for mode   18=       -0.0000000103
 Unscaled step for mode   19=        0.0000000262
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000170
 Unscaled step for mode   22=       -0.0000000063
 Unscaled step for mode   23=        0.0000000031
 Unscaled step for mode   24=       -0.0000000033
 Unscaled step for mode   25=        0.0000000385
 Unscaled step for mode   26=        0.0000000653
 Unscaled step for mode   27=        0.0000000339
 Unscaled step for mode   28=       -0.0000000028
 Unscaled step for mode   29=       -0.0000000003
 Unscaled step for mode   30=        0.0000000601
 Unscaled step for mode   31=        0.0000000196
 Unscaled step for mode   32=        0.0000000085
 Unscaled step for mode   33=       -0.0000000262
 Unscaled step for mode   34=       -0.0000000160
 Unscaled step for mode   35=       -0.0000000740
 Unscaled step for mode   36=       -0.0000000276
 Unscaled step for mode   37=        0.0000000408
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000593
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000710
 Unscaled step for mode   42=        0.0000000242
 Unscaled step for mode   43=       -0.0000000250
 Unscaled step for mode   44=        0.0000000500
 Unscaled step for mode   45=       -0.0000000142
 Unscaled step for mode   46=       -0.0000000588
 Unscaled step for mode   47=        0.0000001131
 Unscaled step for mode   48=       -0.0000000061
 Unscaled step for mode   49=        0.0000000738
 Unscaled step for mode   50=        0.0000000422
 Unscaled step for mode   51=        0.0000000518
 Unscaled step for mode   52=        0.0000000021
 Unscaled step for mode   53=        0.0000000495
 Unscaled step for mode   54=        0.0000000450
 Unscaled step for mode   55=       -0.0000000983
 Unscaled step for mode   56=       -0.0000000331
 Unscaled step for mode   57=       -0.0000000272
 Unscaled step for mode   58=       -0.0000001000
 Unscaled step for mode   59=        0.0000000412
 Unscaled step for mode   60=        0.0000001050
 Unscaled step for mode   61=       -0.0000000961
 Unscaled step for mode   62=        0.0000002095
 Unscaled step for mode   63=       -0.0000001470
 Unscaled step for mode   64=        0.0000000741
 Unscaled step for mode   65=       -0.0000000004
 Unscaled step for mode   66=        0.0000001762
 Unscaled step for mode   67=       -0.0000000192
 Unscaled step for mode   68=       -0.0000000573
 Unscaled step for mode   69=        0.0000000190
 Unscaled step for mode   70=        0.0000001341
 Unscaled step for mode   71=       -0.0000000196
 Unscaled step for mode   72=        0.0000003085
 Unscaled step for mode   73=       -0.0000001566
 Unscaled step for mode   74=        0.0000002830
 Unscaled step for mode   75=       -0.0000003336
 Unscaled step for mode   76=        0.0000002841
 Unscaled step for mode   77=        0.0000005906
 Unscaled step for mode   78=       -0.0000000221
 Unscaled step for mode   79=        0.0000003099
 Unscaled step for mode   80=        0.0000001794
 Unscaled step for mode   81=       -0.0000001861
 Unscaled step for mode   82=       -0.0000001578
 Unscaled step for mode   83=       -0.0000001507
 Unscaled step for mode   84=        0.0000003146
 Unscaled step for mode   85=       -0.0000004799
 Unscaled step for mode   86=        0.0000004729
 Unscaled step for mode   87=        0.0000002843
 Unscaled step for mode   88=        0.0000000184
 Unscaled step for mode   89=        0.0000006519
 Unscaled step for mode   90=       -0.0000003211
 Unscaled step for mode   91=        0.0000000124
 Unscaled step for mode   92=        0.0000008636
 Unscaled step for mode   93=        0.0000007255
 Unscaled step for mode   94=        0.0000005775
 Unscaled step for mode   95=        0.0000006713
 Unscaled step for mode   96=       -0.0000002297
 Unscaled step for mode   97=       -0.0000007262
 Unscaled step for mode   98=       -0.0000006041
 Unscaled step for mode   99=        0.0000021388
 Unscaled step for mode  100=       -0.0000003522
 Unscaled step for mode  101=       -0.0000033298
 Unscaled step for mode  102=       -0.0000024866
 Unscaled step for mode  103=        0.0000010731
 Unscaled step for mode  104=        0.0000015687
 Unscaled step for mode  105=        0.0000016705
 Unscaled step for mode  106=       -0.0000000657
 Unscaled step for mode  107=       -0.0000063487
 Unscaled step for mode  108=        0.0000031570
 Unscaled step for mode  109=       -0.0000055049
 Unscaled step for mode  110=        0.0000331020
 Unscaled step for mode  111=       -0.0002215448
 Unscaled step for mode  112=       -0.0000019347
 Unscaled step for mode  113=        0.0015141117
 Unscaled step for mode  114=        0.0921360520
 Largest modulus ratio of non-zero e/values=           154.6692510    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.223562E-15    0.101888E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.526489E-15    0.100742E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.447203E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.647052E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.615610E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.642119E-15    0.973693E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.126283E-05    0.725976E+03  0.173950E-08 0.100000E-04    0.984234E+00
   8   -0.241961E-05    0.672252E+03  0.359926E-08 0.100000E-04    0.998733E+00
   9    0.719325E-06    0.625352E+03 -0.115027E-08 0.100000E-04    0.989893E+00
  10    0.162379E-05    0.604447E+03 -0.268641E-08 0.100000E-04    0.991396E+00
  11   -0.110967E-05    0.589299E+03  0.188304E-08 0.100000E-04    0.996303E+00
  12    0.269314E-05    0.566566E+03 -0.475345E-08 0.100000E-04    0.989691E+00
  13   -0.163889E-05    0.565402E+03  0.289864E-08 0.100000E-04    0.980692E+00
  14   -0.520731E-05    0.480105E+03  0.108462E-07 0.100000E-04    0.998465E+00
  15    0.184436E-05    0.467847E+03 -0.394222E-08 0.100000E-04    0.994564E+00
  16    0.320480E-05    0.462265E+03 -0.693282E-08 0.100000E-04    0.991013E+00
  17    0.274876E-05    0.441333E+03 -0.622831E-08 0.100000E-04    0.989404E+00
  18    0.443638E-05    0.430664E+03 -0.103013E-07 0.100000E-04    0.998834E+00
  19   -0.110215E-04    0.421174E+03  0.261685E-07 0.100000E-04    0.995220E+00
  20    0.897981E-05    0.406853E+03 -0.220714E-07 0.100000E-04    0.998654E+00
  21    0.677455E-05    0.397955E+03 -0.170234E-07 0.100000E-04    0.996761E+00
  22    0.245226E-05    0.388757E+03 -0.630796E-08 0.100000E-04    0.984398E+00
  23   -0.112196E-05    0.367237E+03  0.305514E-08 0.100000E-04    0.996941E+00
  24    0.118511E-05    0.362866E+03 -0.326596E-08 0.100000E-04    0.986169E+00
  25   -0.135532E-04    0.351753E+03  0.385305E-07 0.100000E-04    0.995902E+00
  26   -0.221839E-04    0.339478E+03  0.653471E-07 0.100000E-04    0.995110E+00
  27   -0.110076E-04    0.324790E+03  0.338914E-07 0.100000E-04    0.995969E+00
  28    0.896667E-06    0.321674E+03 -0.278750E-08 0.100000E-04    0.879236E+00
  29    0.818679E-07    0.318957E+03 -0.256674E-09 0.100000E-04    0.475145E+01
  30   -0.189774E-04    0.315971E+03  0.600605E-07 0.100000E-04    0.996856E+00
  31   -0.597270E-05    0.304971E+03  0.195845E-07 0.100000E-04    0.993714E+00
  32   -0.243597E-05    0.287723E+03  0.846639E-08 0.100000E-04    0.986859E+00
  33    0.733324E-05    0.279442E+03 -0.262424E-07 0.100000E-04    0.993411E+00
  34    0.434757E-05    0.270922E+03 -0.160473E-07 0.100000E-04    0.989565E+00
  35    0.196730E-04    0.265975E+03 -0.739657E-07 0.100000E-04    0.997829E+00
  36    0.725340E-05    0.263120E+03 -0.275669E-07 0.100000E-04    0.990233E+00
  37   -0.105356E-04    0.258285E+03  0.407905E-07 0.100000E-04    0.994379E+00
  38   -0.373251E-05    0.253618E+03  0.147170E-07 0.100000E-04    0.997527E+00
  39   -0.143941E-04    0.242904E+03  0.592585E-07 0.100000E-04    0.996175E+00
  40    0.995772E-05    0.238113E+03 -0.418193E-07 0.100000E-04    0.999415E+00
  41    0.167184E-04    0.235445E+03 -0.710077E-07 0.100000E-04    0.989665E+00
  42   -0.554176E-05    0.228702E+03  0.242314E-07 0.100000E-04    0.994538E+00
  43    0.556055E-05    0.222635E+03 -0.249761E-07 0.100000E-04    0.992998E+00
  44   -0.106419E-04    0.212894E+03  0.499867E-07 0.100000E-04    0.994102E+00
  45    0.301194E-05    0.211682E+03 -0.142286E-07 0.100000E-04    0.997268E+00
  46    0.122713E-04    0.208530E+03 -0.588468E-07 0.100000E-04    0.994918E+00
  47   -0.229823E-04    0.203227E+03  0.113087E-06 0.100000E-04    0.997083E+00
  48    0.121095E-05    0.198112E+03 -0.611243E-08 0.100000E-04    0.979333E+00
  49   -0.144292E-04    0.195517E+03  0.738000E-07 0.100000E-04    0.995938E+00
  50   -0.808098E-05    0.191607E+03  0.421747E-07 0.100000E-04    0.991630E+00
  51   -0.961321E-05    0.185519E+03  0.518179E-07 0.100000E-04    0.996591E+00
  52   -0.374161E-06    0.176622E+03  0.211843E-08 0.100000E-04    0.984849E+00
  53   -0.846633E-05    0.171119E+03  0.494762E-07 0.100000E-04    0.996388E+00
  54   -0.755623E-05    0.167801E+03  0.450309E-07 0.100000E-04    0.993593E+00
  55    0.162754E-04    0.165583E+03 -0.982919E-07 0.100000E-04    0.997444E+00
  56    0.530112E-05    0.160062E+03 -0.331193E-07 0.100000E-04    0.995296E+00
  57    0.417846E-05    0.153511E+03 -0.272193E-07 0.100000E-04    0.991425E+00
  58    0.151005E-04    0.150960E+03 -0.100030E-06 0.100000E-04    0.994029E+00
  59   -0.613919E-05    0.149121E+03  0.411693E-07 0.100000E-04    0.991725E+00
  60   -0.150114E-04    0.142950E+03  0.105012E-06 0.100000E-04    0.997517E+00
  61    0.131681E-04    0.136955E+03 -0.961494E-07 0.100000E-04    0.991419E+00
  62   -0.283390E-04    0.135264E+03  0.209508E-06 0.100000E-04    0.996910E+00
  63    0.192374E-04    0.130874E+03 -0.146992E-06 0.100000E-04    0.994999E+00
  64   -0.946008E-05    0.127680E+03  0.740919E-07 0.100000E-04    0.990075E+00
  65    0.517763E-07    0.126033E+03 -0.410815E-09 0.100000E-04    0.371652E+00
  66   -0.220681E-04    0.125256E+03  0.176184E-06 0.100000E-04    0.995314E+00
  67    0.229147E-05    0.119522E+03 -0.191720E-07 0.100000E-04    0.997428E+00
  68    0.676216E-05    0.117968E+03 -0.573218E-07 0.100000E-04    0.994468E+00
  69   -0.222135E-05    0.116755E+03  0.190257E-07 0.100000E-04    0.980649E+00
  70   -0.149923E-04    0.111841E+03  0.134050E-06 0.100000E-04    0.996199E+00
  71    0.213561E-05    0.109124E+03 -0.195704E-07 0.100000E-04    0.986092E+00
  72   -0.324378E-04    0.105160E+03  0.308461E-06 0.100000E-04    0.993068E+00
  73    0.161237E-04    0.102929E+03 -0.156649E-06 0.100000E-04    0.993714E+00
  74   -0.283208E-04    0.100066E+03  0.283020E-06 0.100000E-04    0.996914E+00
  75    0.323076E-04    0.968354E+02 -0.333634E-06 0.100000E-04    0.992728E+00
  76   -0.270207E-04    0.951216E+02  0.284065E-06 0.100000E-04    0.997681E+00
  77   -0.540207E-04    0.914629E+02  0.590629E-06 0.100000E-04    0.996912E+00
  78    0.200733E-05    0.906683E+02 -0.221392E-07 0.100000E-04    0.995212E+00
  79   -0.276903E-04    0.893594E+02  0.309876E-06 0.100000E-04    0.996563E+00
  80   -0.151913E-04    0.846588E+02  0.179442E-06 0.100000E-04    0.995877E+00
  81    0.150546E-04    0.809024E+02 -0.186083E-06 0.100000E-04    0.995584E+00
  82    0.125400E-04    0.794710E+02 -0.157793E-06 0.100000E-04    0.996592E+00
  83    0.118300E-04    0.784807E+02 -0.150738E-06 0.100000E-04    0.999647E+00
  84   -0.228926E-04    0.727688E+02  0.314594E-06 0.100000E-04    0.992275E+00
  85    0.344044E-04    0.716955E+02 -0.479869E-06 0.100000E-04    0.994373E+00
  86   -0.323676E-04    0.684488E+02  0.472873E-06 0.100000E-04    0.994148E+00
  87   -0.192818E-04    0.678290E+02  0.284271E-06 0.100000E-04    0.974483E+00
  88   -0.116328E-05    0.633906E+02  0.183509E-07 0.100000E-04    0.988846E+00
  89   -0.399918E-04    0.613442E+02  0.651924E-06 0.100000E-04    0.995302E+00
  90    0.191559E-04    0.596545E+02 -0.321113E-06 0.100000E-04    0.991641E+00
  91   -0.731778E-06    0.588822E+02  0.124278E-07 0.100000E-04    0.985065E+00
  92   -0.482853E-04    0.559089E+02  0.863642E-06 0.100000E-04    0.996910E+00
  93   -0.386567E-04    0.532812E+02  0.725523E-06 0.100000E-04    0.998119E+00
  94   -0.301601E-04    0.522269E+02  0.577482E-06 0.100000E-04    0.993175E+00
  95   -0.337262E-04    0.502431E+02  0.671260E-06 0.100000E-04    0.999330E+00
  96    0.110043E-04    0.478994E+02 -0.229737E-06 0.100000E-04    0.996442E+00
  97    0.313604E-04    0.431814E+02 -0.726247E-06 0.100000E-04    0.993692E+00
  98    0.242219E-04    0.400985E+02 -0.604060E-06 0.100000E-04    0.994160E+00
  99   -0.791720E-04    0.370170E+02  0.213880E-05 0.100000E-04    0.990912E+00
 100    0.126415E-04    0.358905E+02 -0.352223E-06 0.100000E-04    0.967344E+00
 101    0.118370E-03    0.355489E+02 -0.332979E-05 0.100000E-04    0.999153E+00
 102    0.718727E-04    0.289042E+02 -0.248659E-05 0.100000E-04    0.994580E+00
 103   -0.308537E-04    0.287506E+02  0.107315E-05 0.100000E-04    0.999679E+00
 104   -0.447164E-04    0.285049E+02  0.156873E-05 0.100000E-04    0.990726E+00
 105   -0.384044E-04    0.229898E+02  0.167050E-05 0.100000E-04    0.994635E+00
 106    0.143968E-05    0.219076E+02 -0.657160E-07 0.100000E-04    0.561435E+00
 107    0.125913E-03    0.198328E+02 -0.634871E-05 0.100000E-04    0.998374E+00
 108   -0.530628E-04    0.168077E+02  0.315705E-05 0.100000E-04    0.987412E+00
 109    0.758280E-04    0.137746E+02 -0.550492E-05 0.100000E-04    0.999874E+00
 110   -0.408506E-03    0.123408E+02  0.100000E-04 0.100000E-04    0.836720E+00
 111    0.227866E-02    0.102853E+02 -0.100000E-04 0.100000E-04    0.566778E+00
 112    0.185577E-04    0.959213E+01 -0.193468E-05 0.100000E-04    0.972528E+00
 113   -0.114680E-01    0.757409E+01  0.127485E-04 0.127485E-04    0.104607E+00
 114    0.436165E+00    0.469373E+01  0.400000E-03 0.400000E-03    0.262322E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9213605204E-01

 Beginning of optimization cycle  209.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3829387259
 potential> RMS force:                                               0.0410407001   |gradient|=.4381947661    
 Eigenvalues of the Hessian matrix:
   726.03690    672.26486    625.36672    604.45136    589.29252    566.59832 
   565.42566    480.12562    467.82405    462.25576    441.33216    430.65537 
   421.18106    406.86307    397.95040    388.75949    367.24085    362.85664 
   351.74511    339.44354    324.79708    321.67083    318.97063    315.94347 
   304.96555    287.72791    279.43700    270.91732    265.97940    263.13034 
   258.29358    253.62073    242.89711    238.10134    235.45469    228.70245 
   222.61523    212.89978    211.68651    208.51704    203.23066    198.10839 
   195.51709    191.60687    185.50916    176.60783    171.12490    167.79722 
   165.58040    160.05463    153.51279    150.95956    149.12210    142.95260 
   136.95555    135.26969    130.87196    127.68145    126.03477    125.26114 
   119.52307    117.96898    116.75746    111.83336    109.11333    105.15649 
   102.93077    100.06285     96.82898     95.12184     91.47323     90.66300 
    89.36855     84.66105     80.90269     79.47423     78.47880     72.76734 
    71.69917     68.44277     67.82556     63.39009     61.33432     59.65471 
    58.88456     55.91015     53.27690     52.22690     50.24186     47.89773 
    43.17765     40.10081     37.01766     35.88262     35.55557     28.90282 
    28.75017     28.49674     22.98739     21.90606     19.83677     16.80833 
    13.77434     12.33949     10.27362      9.59297      7.57281      4.69118 
overlap for current and previous eigenvector    109 is         0.9999990285
overlap for current and previous eigenvector    110 is        -0.9999988978
overlap for current and previous eigenvector    111 is        -0.9999822651
overlap for current and previous eigenvector    112 is         0.9999841276
overlap for current and previous eigenvector    113 is         0.9999980158
overlap for current and previous eigenvector    114 is         0.9999996051
J1,K1,R1,R2,RAT=   7   7   -0.1329623401E-01     2.013129651        0.9867037660    
FOB,PFOB,DIAG,PSTEP=   -0.1279625590E-05   -0.1262833264E-05     726.0368989        0.1739496241E-08
J1,K1,R1,R2,RAT=   8   8   -0.1212377222E-01     2.012085158        0.9878762278    
FOB,PFOB,DIAG,PSTEP=   -0.2448944453E-05   -0.2419609097E-05     672.2648635        0.3599259674E-08
J1,K1,R1,R2,RAT=   9   9   -0.5988614981E-03     2.000551221        0.9994011385    
FOB,PFOB,DIAG,PSTEP=    0.7197556248E-06    0.7193248386E-06     625.3667169       -0.1150272239E-08
J1,K1,R1,R2,RAT=  10  10    0.4989914782E-02     1.994997098        0.9949970979    
FOB,PFOB,DIAG,PSTEP=    0.1615692258E-05    0.1623794909E-05     604.4513601       -0.2686412109E-08
J1,K1,R1,R2,RAT=  11  11    0.9332806754E-03     1.999089454        0.9990667193    
FOB,PFOB,DIAG,PSTEP=   -0.1108638390E-05   -0.1109674016E-05     589.2925170        0.1883040035E-08
J1,K1,R1,R2,RAT= 109 109   -0.8598322006E-03     2.000896604        0.9991401678    
FOB,PFOB,DIAG,PSTEP=    0.7589323908E-04    0.7582804089E-04     13.77434473       -0.5504918619E-05
J1,K1,R1,R2,RAT= 110 110     6.786057913       -0.1649376229        0.8350623771    
FOB,PFOB,DIAG,PSTEP=    0.4288585477E-03   -0.4085060934E-03     12.33948563        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     44.80463512       -0.4452688758        0.5547311242    
FOB,PFOB,DIAG,PSTEP=   -0.2324400733E-02    0.2278655517E-02     10.27361620       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8578228351E-01     2.085605703        0.9142177165    
FOB,PFOB,DIAG,PSTEP=    0.2014977573E-04    0.1855771224E-04     9.592972513       -0.1934681958E-05
J1,K1,R1,R2,RAT= 113 113   -0.7409166909         238.3181590        0.2590833091    
FOB,PFOB,DIAG,PSTEP=   -0.1153957589E-01   -0.1146804659E-01     7.572811054        0.1274845298E-04
J1,K1,R1,R2,RAT= 114 114    0.9973583298        -465.8745279        0.2641670207E-02
FOB,PFOB,DIAG,PSTEP=    0.4380363241        0.4361648078         4.691183352        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001      0.00000     -0.00002     -0.00001     -0.00002 
    -0.00001      0.00003     -0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000      0.00002     -0.00000      0.00003 
    -0.00002      0.00003     -0.00003      0.00003      0.00005      0.00000 
    -0.00003      0.00002     -0.00002     -0.00001     -0.00001      0.00002 
     0.00003     -0.00003      0.00002      0.00000     -0.00004      0.00002 
    -0.00000      0.00005      0.00004      0.00003      0.00003      0.00001 
    -0.00003      0.00002      0.00008      0.00001     -0.00012     -0.00007 
     0.00003      0.00004     -0.00004      0.00000      0.00013      0.00005 
     0.00008      0.00043     -0.00232      0.00002     -0.01154      0.43804 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4379072853
 Log product of positive Hessian eigenvalues =          520.2051325661
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6911833525
 Unscaled step for mode    7=        0.0000000018
 Unscaled step for mode    8=        0.0000000036
 Unscaled step for mode    9=       -0.0000000012
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000047
 Unscaled step for mode   13=        0.0000000030
 Unscaled step for mode   14=        0.0000000108
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000070
 Unscaled step for mode   17=       -0.0000000062
 Unscaled step for mode   18=       -0.0000000103
 Unscaled step for mode   19=        0.0000000263
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000170
 Unscaled step for mode   22=       -0.0000000064
 Unscaled step for mode   23=        0.0000000030
 Unscaled step for mode   24=       -0.0000000032
 Unscaled step for mode   25=        0.0000000387
 Unscaled step for mode   26=        0.0000000656
 Unscaled step for mode   27=        0.0000000341
 Unscaled step for mode   28=       -0.0000000031
 Unscaled step for mode   29=       -0.0000000004
 Unscaled step for mode   30=        0.0000000604
 Unscaled step for mode   31=        0.0000000198
 Unscaled step for mode   32=        0.0000000085
 Unscaled step for mode   33=       -0.0000000263
 Unscaled step for mode   34=       -0.0000000161
 Unscaled step for mode   35=       -0.0000000742
 Unscaled step for mode   36=       -0.0000000278
 Unscaled step for mode   37=        0.0000000410
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000594
 Unscaled step for mode   40=       -0.0000000419
 Unscaled step for mode   41=       -0.0000000718
 Unscaled step for mode   42=        0.0000000244
 Unscaled step for mode   43=       -0.0000000253
 Unscaled step for mode   44=        0.0000000506
 Unscaled step for mode   45=       -0.0000000140
 Unscaled step for mode   46=       -0.0000000593
 Unscaled step for mode   47=        0.0000001136
 Unscaled step for mode   48=       -0.0000000063
 Unscaled step for mode   49=        0.0000000743
 Unscaled step for mode   50=        0.0000000421
 Unscaled step for mode   51=        0.0000000522
 Unscaled step for mode   52=        0.0000000022
 Unscaled step for mode   53=        0.0000000497
 Unscaled step for mode   54=       -0.0000000455
 Unscaled step for mode   55=       -0.0000000986
 Unscaled step for mode   56=       -0.0000000331
 Unscaled step for mode   57=       -0.0000000274
 Unscaled step for mode   58=        0.0000001005
 Unscaled step for mode   59=        0.0000000411
 Unscaled step for mode   60=        0.0000001056
 Unscaled step for mode   61=        0.0000000966
 Unscaled step for mode   62=       -0.0000002099
 Unscaled step for mode   63=        0.0000001472
 Unscaled step for mode   64=       -0.0000000749
 Unscaled step for mode   65=       -0.0000000004
 Unscaled step for mode   66=        0.0000001766
 Unscaled step for mode   67=       -0.0000000195
 Unscaled step for mode   68=       -0.0000000575
 Unscaled step for mode   69=        0.0000000192
 Unscaled step for mode   70=       -0.0000001352
 Unscaled step for mode   71=        0.0000000198
 Unscaled step for mode   72=       -0.0000003098
 Unscaled step for mode   73=        0.0000001577
 Unscaled step for mode   74=       -0.0000002832
 Unscaled step for mode   75=        0.0000003364
 Unscaled step for mode   76=       -0.0000002849
 Unscaled step for mode   77=       -0.0000005929
 Unscaled step for mode   78=       -0.0000000218
 Unscaled step for mode   79=        0.0000003079
 Unscaled step for mode   80=       -0.0000001804
 Unscaled step for mode   81=        0.0000001867
 Unscaled step for mode   82=        0.0000001565
 Unscaled step for mode   83=        0.0000001518
 Unscaled step for mode   84=       -0.0000003158
 Unscaled step for mode   85=       -0.0000004807
 Unscaled step for mode   86=        0.0000004694
 Unscaled step for mode   87=       -0.0000002916
 Unscaled step for mode   88=       -0.0000000175
 Unscaled step for mode   89=        0.0000006542
 Unscaled step for mode   90=       -0.0000003212
 Unscaled step for mode   91=        0.0000000124
 Unscaled step for mode   92=       -0.0000008673
 Unscaled step for mode   93=       -0.0000007245
 Unscaled step for mode   94=       -0.0000005794
 Unscaled step for mode   95=       -0.0000006696
 Unscaled step for mode   96=       -0.0000002306
 Unscaled step for mode   97=        0.0000007270
 Unscaled step for mode   98=       -0.0000006068
 Unscaled step for mode   99=       -0.0000021485
 Unscaled step for mode  100=       -0.0000003437
 Unscaled step for mode  101=        0.0000033290
 Unscaled step for mode  102=        0.0000024925
 Unscaled step for mode  103=       -0.0000010681
 Unscaled step for mode  104=       -0.0000015720
 Unscaled step for mode  105=        0.0000016774
 Unscaled step for mode  106=       -0.0000000539
 Unscaled step for mode  107=       -0.0000063484
 Unscaled step for mode  108=       -0.0000031390
 Unscaled step for mode  109=       -0.0000055098
 Unscaled step for mode  110=       -0.0000347550
 Unscaled step for mode  111=        0.0002262495
 Unscaled step for mode  112=       -0.0000021005
 Unscaled step for mode  113=        0.0015238132
 Unscaled step for mode  114=        0.0925741611
 Largest modulus ratio of non-zero e/values=           154.7662592    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.180194E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.875385E-15    0.100742E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.414475E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.179978E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.370689E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.827734E-15    0.973695E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.127963E-05    0.726037E+03  0.176248E-08 0.100000E-04    0.986704E+00
   8   -0.244894E-05    0.672265E+03  0.364283E-08 0.100000E-04    0.987876E+00
   9    0.719756E-06    0.625367E+03 -0.115093E-08 0.100000E-04    0.999401E+00
  10    0.161569E-05    0.604451E+03 -0.267299E-08 0.100000E-04    0.994997E+00
  11   -0.110864E-05    0.589293E+03  0.188130E-08 0.100000E-04    0.999067E+00
  12    0.265468E-05    0.566598E+03 -0.468530E-08 0.100000E-04    0.985605E+00
  13   -0.169864E-05    0.565426E+03  0.300418E-08 0.100000E-04    0.963545E+00
  14   -0.518560E-05    0.480126E+03  0.108005E-07 0.100000E-04    0.995743E+00
  15    0.185306E-05    0.467824E+03 -0.396101E-08 0.100000E-04    0.995283E+00
  16    0.322117E-05    0.462256E+03 -0.696837E-08 0.100000E-04    0.994892E+00
  17    0.275318E-05    0.441332E+03 -0.623833E-08 0.100000E-04    0.998391E+00
  18    0.444647E-05    0.430655E+03 -0.103249E-07 0.100000E-04    0.997725E+00
  19   -0.110599E-04    0.421181E+03  0.262591E-07 0.100000E-04    0.996519E+00
  20    0.896777E-05    0.406863E+03 -0.220413E-07 0.100000E-04    0.998608E+00
  21    0.678244E-05    0.397950E+03 -0.170434E-07 0.100000E-04    0.998835E+00
  22    0.248406E-05    0.388759E+03 -0.638970E-08 0.100000E-04    0.987035E+00
  23   -0.110219E-05    0.367241E+03  0.300127E-08 0.100000E-04    0.982357E+00
  24    0.116885E-05    0.362857E+03 -0.322123E-08 0.100000E-04    0.986277E+00
  25   -0.136090E-04    0.351745E+03  0.386899E-07 0.100000E-04    0.995886E+00
  26   -0.222811E-04    0.339444E+03  0.656400E-07 0.100000E-04    0.995618E+00
  27   -0.110621E-04    0.324797E+03  0.340586E-07 0.100000E-04    0.995047E+00
  28    0.986678E-06    0.321671E+03 -0.306735E-08 0.100000E-04    0.899615E+00
  29    0.126727E-06    0.318971E+03 -0.397298E-09 0.100000E-04    0.452086E+00
  30   -0.190697E-04    0.315943E+03  0.603578E-07 0.100000E-04    0.995137E+00
  31   -0.603872E-05    0.304966E+03  0.198013E-07 0.100000E-04    0.988945E+00
  32   -0.245992E-05    0.287728E+03  0.854947E-08 0.100000E-04    0.990168E+00
  33    0.735721E-05    0.279437E+03 -0.263287E-07 0.100000E-04    0.996732E+00
  34    0.437031E-05    0.270917E+03 -0.161315E-07 0.100000E-04    0.994769E+00
  35    0.197483E-04    0.265979E+03 -0.742474E-07 0.100000E-04    0.996172E+00
  36    0.732535E-05    0.263130E+03 -0.278392E-07 0.100000E-04    0.990081E+00
  37   -0.105941E-04    0.258294E+03  0.410159E-07 0.100000E-04    0.994442E+00
  38   -0.373565E-05    0.253621E+03  0.147293E-07 0.100000E-04    0.999158E+00
  39   -0.144337E-04    0.242897E+03  0.594230E-07 0.100000E-04    0.997254E+00
  40    0.996857E-05    0.238101E+03 -0.418669E-07 0.100000E-04    0.998911E+00
  41    0.169018E-04    0.235455E+03 -0.717834E-07 0.100000E-04    0.989036E+00
  42   -0.558754E-05    0.228702E+03  0.244315E-07 0.100000E-04    0.991738E+00
  43    0.562518E-05    0.222615E+03 -0.252686E-07 0.100000E-04    0.988378E+00
  44   -0.107731E-04    0.212900E+03  0.506019E-07 0.100000E-04    0.987667E+00
  45    0.296792E-05    0.211687E+03 -0.140204E-07 0.100000E-04    0.985343E+00
  46    0.123630E-04    0.208517E+03 -0.592899E-07 0.100000E-04    0.992531E+00
  47   -0.230903E-04    0.203231E+03  0.113616E-06 0.100000E-04    0.995298E+00
  48    0.123887E-05    0.198108E+03 -0.625347E-08 0.100000E-04    0.976944E+00
  49   -0.145287E-04    0.195517E+03  0.743089E-07 0.100000E-04    0.993105E+00
  50   -0.806538E-05    0.191607E+03  0.420934E-07 0.100000E-04    0.998069E+00
  51   -0.968076E-05    0.185509E+03  0.521848E-07 0.100000E-04    0.992973E+00
  52   -0.394080E-06    0.176608E+03  0.223139E-08 0.100000E-04    0.946758E+00
  53   -0.849919E-05    0.171125E+03  0.496666E-07 0.100000E-04    0.996118E+00
  54    0.763354E-05    0.167797E+03 -0.454926E-07 0.100000E-04    0.989769E+00
  55    0.163304E-04    0.165580E+03 -0.986255E-07 0.100000E-04    0.996620E+00
  56    0.530204E-05    0.160055E+03 -0.331264E-07 0.100000E-04    0.999828E+00
  57    0.421313E-05    0.153513E+03 -0.274448E-07 0.100000E-04    0.991703E+00
  58   -0.151789E-04    0.150960E+03  0.100550E-06 0.100000E-04    0.994805E+00
  59   -0.612386E-05    0.149122E+03  0.410661E-07 0.100000E-04    0.997481E+00
  60   -0.150912E-04    0.142953E+03  0.105568E-06 0.100000E-04    0.994685E+00
  61   -0.132299E-04    0.136956E+03  0.965998E-07 0.100000E-04    0.995312E+00
  62    0.283871E-04    0.135270E+03 -0.209855E-06 0.100000E-04    0.998304E+00
  63   -0.192599E-04    0.130872E+03  0.147166E-06 0.100000E-04    0.998828E+00
  64    0.956660E-05    0.127681E+03 -0.749255E-07 0.100000E-04    0.988741E+00
  65    0.522626E-07    0.126035E+03 -0.414668E-09 0.100000E-04    0.990609E+00
  66   -0.221197E-04    0.125261E+03  0.176589E-06 0.100000E-04    0.997659E+00
  67    0.233305E-05    0.119523E+03 -0.195197E-07 0.100000E-04    0.981855E+00
  68    0.678521E-05    0.117969E+03 -0.575169E-07 0.100000E-04    0.996592E+00
  69   -0.223653E-05    0.116757E+03  0.191554E-07 0.100000E-04    0.993163E+00
  70    0.151145E-04    0.111833E+03 -0.135152E-06 0.100000E-04    0.991847E+00
  71   -0.216456E-05    0.109113E+03  0.198377E-07 0.100000E-04    0.986440E+00
  72    0.325802E-04    0.105156E+03 -0.309826E-06 0.100000E-04    0.995610E+00
  73   -0.162335E-04    0.102931E+03  0.157713E-06 0.100000E-04    0.993192E+00
  74    0.283360E-04    0.100063E+03 -0.283182E-06 0.100000E-04    0.999460E+00
  75   -0.325712E-04    0.968290E+02  0.336379E-06 0.100000E-04    0.991839E+00
  76    0.271016E-04    0.951218E+02 -0.284914E-06 0.100000E-04    0.997006E+00
  77    0.542362E-04    0.914732E+02 -0.592919E-06 0.100000E-04    0.996011E+00
  78    0.197196E-05    0.906630E+02 -0.217504E-07 0.100000E-04    0.982378E+00
  79   -0.275124E-04    0.893686E+02  0.307853E-06 0.100000E-04    0.993369E+00
  80    0.152746E-04    0.846611E+02 -0.180420E-06 0.100000E-04    0.994520E+00
  81   -0.151059E-04    0.809027E+02  0.186717E-06 0.100000E-04    0.996591E+00
  82   -0.124338E-04    0.794742E+02  0.156451E-06 0.100000E-04    0.991450E+00
  83   -0.119099E-04    0.784788E+02  0.151759E-06 0.100000E-04    0.993251E+00
  84    0.229797E-04    0.727673E+02 -0.315796E-06 0.100000E-04    0.996196E+00
  85    0.344681E-04    0.716992E+02 -0.480732E-06 0.100000E-04    0.998151E+00
  86   -0.321260E-04    0.684428E+02  0.469385E-06 0.100000E-04    0.992535E+00
  87    0.197804E-04    0.678256E+02 -0.291636E-06 0.100000E-04    0.974142E+00
  88    0.111126E-05    0.633901E+02 -0.175306E-07 0.100000E-04    0.955288E+00
  89   -0.401234E-04    0.613343E+02  0.654175E-06 0.100000E-04    0.996708E+00
  90    0.191633E-04    0.596547E+02 -0.321236E-06 0.100000E-04    0.999613E+00
  91   -0.731188E-06    0.588846E+02  0.124173E-07 0.100000E-04    0.999115E+00
  92    0.484917E-04    0.559102E+02 -0.867314E-06 0.100000E-04    0.995726E+00
  93    0.385979E-04    0.532769E+02 -0.724476E-06 0.100000E-04    0.998477E+00
  94    0.302609E-04    0.522269E+02 -0.579412E-06 0.100000E-04    0.996659E+00
  95    0.336414E-04    0.502419E+02 -0.669590E-06 0.100000E-04    0.997488E+00
  96    0.110472E-04    0.478977E+02 -0.230641E-06 0.100000E-04    0.996103E+00
  97   -0.313895E-04    0.431777E+02  0.726986E-06 0.100000E-04    0.999070E+00
  98    0.243335E-04    0.401008E+02 -0.606809E-06 0.100000E-04    0.995390E+00
  99    0.795329E-04    0.370177E+02 -0.214851E-05 0.100000E-04    0.995442E+00
 100    0.123341E-04    0.358826E+02 -0.343733E-06 0.100000E-04    0.975678E+00
 101   -0.118365E-03    0.355556E+02  0.332903E-05 0.100000E-04    0.999581E+00
 102   -0.720397E-04    0.289028E+02  0.249248E-05 0.100000E-04    0.997676E+00
 103    0.307094E-04    0.287502E+02 -0.106815E-05 0.100000E-04    0.995324E+00
 104    0.447957E-04    0.284967E+02 -0.157196E-05 0.100000E-04    0.998226E+00
 105   -0.385600E-04    0.229874E+02  0.167744E-05 0.100000E-04    0.995949E+00
 106    0.118058E-05    0.219061E+02 -0.538927E-07 0.100000E-04    0.820013E+00
 107    0.125932E-03    0.198368E+02 -0.634843E-05 0.100000E-04    0.999756E+00
 108    0.527613E-04    0.168083E+02 -0.313900E-05 0.100000E-04    0.994247E+00
 109    0.758932E-04    0.137743E+02 -0.550975E-05 0.100000E-04    0.999140E+00
 110    0.428859E-03    0.123395E+02 -0.100000E-04 0.100000E-04    0.835062E+00
 111   -0.232440E-02    0.102736E+02  0.100000E-04 0.100000E-04    0.554731E+00
 112    0.201498E-04    0.959297E+01 -0.210047E-05 0.100000E-04    0.914218E+00
 113   -0.115396E-01    0.757281E+01  0.114851E-04 0.114851E-04    0.259083E+00
 114    0.438036E+00    0.469118E+01  0.400000E-03 0.400000E-03    0.264167E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9257416115E-01

 Beginning of optimization cycle  210.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3827632959
 potential> RMS force:                                               0.0412160466   |gradient|=.4400669543    
 Eigenvalues of the Hessian matrix:
   726.09741    672.27793    625.38161    604.45505    589.28588    566.63122 
   565.44939    480.14663    467.80114    462.24661    441.33164    430.64640 
   421.18788    406.87355    397.94627    388.76180    367.24477    362.84695 
   351.73734    339.40945    324.80409    321.66762    318.98475    315.91611 
   304.96009    287.73330    279.43160    270.91309    265.98426    263.14042 
   258.30164    253.62342    242.89001    238.08982    235.46381    228.70297 
   222.59550    212.90525    211.69109    208.50456    203.23397    198.10443 
   195.51676    191.60668    185.49926    176.59408    171.13046    167.79344 
   165.57808    160.04773    153.51427    150.95959    149.12365    142.95560 
   136.95604    135.27508    130.87037    127.68257    126.03622    125.26632 
   119.52457    117.96959    116.76022    111.82612    109.10236    105.15294 
   102.93229    100.05942     96.82250     95.12212     91.48353     90.65767 
    89.37769     84.66334     80.90294     79.47748     78.47687     72.76597 
    71.70292     68.43690     67.82194     63.38957     61.32449     59.65488 
    58.88690     55.91144     53.27265     52.22690     50.24064     47.89604 
    43.17391     40.10315     37.01839     35.87475     35.56230     28.90151 
    28.74971     28.48861     22.98500     21.90445     19.84079     16.80893 
    13.77410     12.33816     10.26199      9.59377      7.57152      4.68861 
overlap for current and previous eigenvector    109 is         0.9999990398
overlap for current and previous eigenvector    110 is         0.9999989105
overlap for current and previous eigenvector    111 is         0.9999811887
overlap for current and previous eigenvector    112 is         0.9999830160
overlap for current and previous eigenvector    113 is         0.9999979899
overlap for current and previous eigenvector    114 is        -0.9999996074
J1,K1,R1,R2,RAT=   7   7   -0.1543301744E-01     2.015266331        0.9845669826    
FOB,PFOB,DIAG,PSTEP=   -0.1299375720E-05   -0.1279625590E-05     726.0974140        0.1762480105E-08
J1,K1,R1,R2,RAT=   8   8   -0.1336501788E-02     2.001297624        0.9986634982    
FOB,PFOB,DIAG,PSTEP=   -0.2452217535E-05   -0.2448944453E-05     672.2779319        0.3642826788E-08
J1,K1,R1,R2,RAT=   9   9    0.1017589017E-01     1.989776490        0.9897764905    
FOB,PFOB,DIAG,PSTEP=    0.7124312963E-06    0.7197556248E-06     625.3816070       -0.1150933693E-08
J1,K1,R1,R2,RAT=  10  10   -0.8528313735E-02     2.008516113        0.9914716863    
FOB,PFOB,DIAG,PSTEP=    0.1629471473E-05    0.1615692258E-05     604.4550476       -0.2672989697E-08
J1,K1,R1,R2,RAT=  11  11   -0.3601770398E-02     2.003624283        0.9963982296    
FOB,PFOB,DIAG,PSTEP=   -0.1112631406E-05   -0.1108638390E-05     589.2858839        0.1881304035E-08
J1,K1,R1,R2,RAT= 109 109    0.1209216070E-03     1.999914488        0.9998790784    
FOB,PFOB,DIAG,PSTEP=    0.7588406211E-04    0.7589323908E-04     13.77410086       -0.5509753138E-05
J1,K1,R1,R2,RAT= 110 110   -0.1747029155         7.126446837        0.8252970845    
FOB,PFOB,DIAG,PSTEP=    0.4504136681E-03    0.4288585477E-03     12.33815723       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4408326141         45.74200996        0.5591673859    
FOB,PFOB,DIAG,PSTEP=   -0.2369638923E-02   -0.2324400733E-02     10.26198818        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.3110121402E-01     2.030934793        0.9688987860    
FOB,PFOB,DIAG,PSTEP=    0.2077651037E-04    0.2014977573E-04     9.593770814       -0.2100472581E-05
J1,K1,R1,R2,RAT= 113 113   -0.9272130563         266.3281256        0.7278694374E-01
FOB,PFOB,DIAG,PSTEP=   -0.1162020595E-01   -0.1153957589E-01     7.571517388        0.1148509277E-04
J1,K1,R1,R2,RAT= 114 114    -468.1252779        0.9973509142        0.2649085772E-02
FOB,PFOB,DIAG,PSTEP=   -0.4399068007        0.4380363241         4.688612036        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00000      0.00002     -0.00001      0.00002 
    -0.00001      0.00003     -0.00002      0.00001     -0.00000      0.00002 
     0.00000      0.00001     -0.00000     -0.00002      0.00000      0.00003 
     0.00002     -0.00003      0.00003      0.00003     -0.00005     -0.00000 
    -0.00003      0.00002     -0.00002      0.00001      0.00001      0.00002 
    -0.00003     -0.00003     -0.00002      0.00000      0.00004     -0.00002 
     0.00000      0.00005      0.00004      0.00003      0.00003     -0.00001 
     0.00003      0.00002      0.00008      0.00001      0.00012     -0.00007 
    -0.00003      0.00005      0.00004     -0.00000      0.00013     -0.00005 
     0.00008      0.00045     -0.00237      0.00002     -0.01162     -0.43991 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4378652749
 Log product of positive Hessian eigenvalues =          520.2024457412
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6886120357
 Unscaled step for mode    7=        0.0000000018
 Unscaled step for mode    8=        0.0000000036
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000046
 Unscaled step for mode   13=        0.0000000031
 Unscaled step for mode   14=        0.0000000108
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000070
 Unscaled step for mode   17=       -0.0000000063
 Unscaled step for mode   18=       -0.0000000103
 Unscaled step for mode   19=        0.0000000264
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000171
 Unscaled step for mode   22=       -0.0000000065
 Unscaled step for mode   23=        0.0000000030
 Unscaled step for mode   24=       -0.0000000032
 Unscaled step for mode   25=        0.0000000388
 Unscaled step for mode   26=        0.0000000660
 Unscaled step for mode   27=        0.0000000342
 Unscaled step for mode   28=       -0.0000000034
 Unscaled step for mode   29=       -0.0000000006
 Unscaled step for mode   30=        0.0000000605
 Unscaled step for mode   31=        0.0000000199
 Unscaled step for mode   32=        0.0000000087
 Unscaled step for mode   33=       -0.0000000265
 Unscaled step for mode   34=       -0.0000000163
 Unscaled step for mode   35=       -0.0000000744
 Unscaled step for mode   36=       -0.0000000281
 Unscaled step for mode   37=        0.0000000412
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000596
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000725
 Unscaled step for mode   42=        0.0000000246
 Unscaled step for mode   43=       -0.0000000254
 Unscaled step for mode   44=        0.0000000509
 Unscaled step for mode   45=       -0.0000000141
 Unscaled step for mode   46=       -0.0000000596
 Unscaled step for mode   47=        0.0000001139
 Unscaled step for mode   48=       -0.0000000064
 Unscaled step for mode   49=        0.0000000746
 Unscaled step for mode   50=        0.0000000424
 Unscaled step for mode   51=        0.0000000524
 Unscaled step for mode   52=        0.0000000023
 Unscaled step for mode   53=        0.0000000498
 Unscaled step for mode   54=       -0.0000000458
 Unscaled step for mode   55=        0.0000000989
 Unscaled step for mode   56=        0.0000000333
 Unscaled step for mode   57=        0.0000000277
 Unscaled step for mode   58=       -0.0000001011
 Unscaled step for mode   59=        0.0000000407
 Unscaled step for mode   60=       -0.0000001058
 Unscaled step for mode   61=        0.0000000974
 Unscaled step for mode   62=       -0.0000002105
 Unscaled step for mode   63=        0.0000001479
 Unscaled step for mode   64=       -0.0000000757
 Unscaled step for mode   65=        0.0000000007
 Unscaled step for mode   66=       -0.0000001774
 Unscaled step for mode   67=       -0.0000000195
 Unscaled step for mode   68=       -0.0000000578
 Unscaled step for mode   69=        0.0000000195
 Unscaled step for mode   70=        0.0000001357
 Unscaled step for mode   71=       -0.0000000201
 Unscaled step for mode   72=       -0.0000003120
 Unscaled step for mode   73=       -0.0000001587
 Unscaled step for mode   74=        0.0000002840
 Unscaled step for mode   75=       -0.0000003388
 Unscaled step for mode   76=       -0.0000002855
 Unscaled step for mode   77=        0.0000005946
 Unscaled step for mode   78=        0.0000000216
 Unscaled step for mode   79=        0.0000003068
 Unscaled step for mode   80=       -0.0000001811
 Unscaled step for mode   81=        0.0000001875
 Unscaled step for mode   82=       -0.0000001559
 Unscaled step for mode   83=       -0.0000001518
 Unscaled step for mode   84=       -0.0000003182
 Unscaled step for mode   85=        0.0000004834
 Unscaled step for mode   86=        0.0000004663
 Unscaled step for mode   87=        0.0000002988
 Unscaled step for mode   88=       -0.0000000177
 Unscaled step for mode   89=       -0.0000006573
 Unscaled step for mode   90=        0.0000003239
 Unscaled step for mode   91=       -0.0000000126
 Unscaled step for mode   92=       -0.0000008699
 Unscaled step for mode   93=       -0.0000007259
 Unscaled step for mode   94=       -0.0000005833
 Unscaled step for mode   95=       -0.0000006700
 Unscaled step for mode   96=        0.0000002298
 Unscaled step for mode   97=       -0.0000007316
 Unscaled step for mode   98=       -0.0000006103
 Unscaled step for mode   99=       -0.0000021675
 Unscaled step for mode  100=       -0.0000003319
 Unscaled step for mode  101=       -0.0000033309
 Unscaled step for mode  102=        0.0000025061
 Unscaled step for mode  103=        0.0000010675
 Unscaled step for mode  104=       -0.0000015872
 Unscaled step for mode  105=       -0.0000016865
 Unscaled step for mode  106=        0.0000000740
 Unscaled step for mode  107=       -0.0000063566
 Unscaled step for mode  108=        0.0000030988
 Unscaled step for mode  109=       -0.0000055092
 Unscaled step for mode  110=       -0.0000365057
 Unscaled step for mode  111=        0.0002309142
 Unscaled step for mode  112=       -0.0000021656
 Unscaled step for mode  113=        0.0015347226
 Unscaled step for mode  114=       -0.0930128138
 Largest modulus ratio of non-zero e/values=           154.8640426    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.386626E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.424140E-15    0.100742E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.320819E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.197760E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.806646E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.534159E-15    0.973697E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.129938E-05    0.726097E+03  0.178953E-08 0.100000E-04    0.984567E+00
   8   -0.245222E-05    0.672278E+03  0.364762E-08 0.100000E-04    0.998663E+00
   9    0.712431E-06    0.625382E+03 -0.113919E-08 0.100000E-04    0.989776E+00
  10    0.162947E-05    0.604455E+03 -0.269577E-08 0.100000E-04    0.991472E+00
  11   -0.111263E-05    0.589286E+03  0.188810E-08 0.100000E-04    0.996398E+00
  12    0.262603E-05    0.566631E+03 -0.463446E-08 0.100000E-04    0.989092E+00
  13   -0.172818E-05    0.565449E+03  0.305630E-08 0.100000E-04    0.982611E+00
  14   -0.517759E-05    0.480147E+03  0.107833E-07 0.100000E-04    0.998367E+00
  15    0.184309E-05    0.467801E+03 -0.393989E-08 0.100000E-04    0.994620E+00
  16    0.324966E-05    0.462247E+03 -0.703014E-08 0.100000E-04    0.991155E+00
  17    0.278166E-05    0.441332E+03 -0.630289E-08 0.100000E-04    0.989654E+00
  18    0.445140E-05    0.430646E+03 -0.103366E-07 0.100000E-04    0.998892E+00
  19   -0.111123E-04    0.421188E+03  0.263831E-07 0.100000E-04    0.995262E+00
  20    0.897911E-05    0.406874E+03 -0.220685E-07 0.100000E-04    0.998736E+00
  21    0.680391E-05    0.397946E+03 -0.170976E-07 0.100000E-04    0.996835E+00
  22    0.252203E-05    0.388762E+03 -0.648734E-08 0.100000E-04    0.984714E+00
  23   -0.109859E-05    0.367245E+03  0.299145E-08 0.100000E-04    0.996716E+00
  24    0.115173E-05    0.362847E+03 -0.317414E-08 0.100000E-04    0.985353E+00
  25   -0.136643E-04    0.351737E+03  0.388479E-07 0.100000E-04    0.995938E+00
  26   -0.223890E-04    0.339409E+03  0.659646E-07 0.100000E-04    0.995156E+00
  27   -0.111064E-04    0.324804E+03  0.341942E-07 0.100000E-04    0.995996E+00
  28    0.108394E-05    0.321668E+03 -0.336974E-08 0.100000E-04    0.901428E+00
  29    0.194801E-06    0.318985E+03 -0.610690E-09 0.100000E-04    0.462848E+00
  30   -0.191280E-04    0.315916E+03  0.605477E-07 0.100000E-04    0.996941E+00
  31   -0.607678E-05    0.304960E+03  0.199265E-07 0.100000E-04    0.993698E+00
  32   -0.249187E-05    0.287733E+03  0.866034E-08 0.100000E-04    0.987013E+00
  33    0.740543E-05    0.279432E+03 -0.265018E-07 0.100000E-04    0.993446E+00
  34    0.441541E-05    0.270913E+03 -0.162982E-07 0.100000E-04    0.989680E+00
  35    0.197903E-04    0.265984E+03 -0.744041E-07 0.100000E-04    0.997872E+00
  36    0.739605E-05    0.263140E+03 -0.281069E-07 0.100000E-04    0.990348E+00
  37   -0.106533E-04    0.258302E+03  0.412437E-07 0.100000E-04    0.994415E+00
  38   -0.372597E-05    0.253623E+03  0.146910E-07 0.100000E-04    0.997388E+00
  39   -0.144882E-04    0.242890E+03  0.596494E-07 0.100000E-04    0.996219E+00
  40    0.995735E-05    0.238090E+03 -0.418218E-07 0.100000E-04    0.998875E+00
  41    0.170760E-04    0.235464E+03 -0.725209E-07 0.100000E-04    0.989688E+00
  42   -0.561812E-05    0.228703E+03  0.245651E-07 0.100000E-04    0.994528E+00
  43    0.566467E-05    0.222595E+03 -0.254483E-07 0.100000E-04    0.992978E+00
  44   -0.108366E-04    0.212905E+03  0.508987E-07 0.100000E-04    0.994110E+00
  45    0.297613E-05    0.211691E+03 -0.140588E-07 0.100000E-04    0.997235E+00
  46    0.124257E-04    0.208505E+03 -0.595945E-07 0.100000E-04    0.994921E+00
  47   -0.231567E-04    0.203234E+03  0.113941E-06 0.100000E-04    0.997128E+00
  48    0.126361E-05    0.198104E+03 -0.637849E-08 0.100000E-04    0.980028E+00
  49   -0.145872E-04    0.195517E+03  0.746083E-07 0.100000E-04    0.995972E+00
  50   -0.813206E-05    0.191607E+03  0.424414E-07 0.100000E-04    0.991733E+00
  51   -0.971363E-05    0.185499E+03  0.523648E-07 0.100000E-04    0.996605E+00
  52   -0.399823E-06    0.176594E+03  0.226408E-08 0.100000E-04    0.985427E+00
  53   -0.852986E-05    0.171130E+03  0.498442E-07 0.100000E-04    0.996392E+00
  54    0.768222E-05    0.167793E+03 -0.457838E-07 0.100000E-04    0.993622E+00
  55   -0.163715E-04    0.165578E+03  0.988748E-07 0.100000E-04    0.997486E+00
  56   -0.532678E-05    0.160048E+03  0.332824E-07 0.100000E-04    0.995334E+00
  57   -0.424903E-05    0.153514E+03  0.276784E-07 0.100000E-04    0.991481E+00
  58    0.152684E-04    0.150960E+03 -0.101142E-06 0.100000E-04    0.994106E+00
  59   -0.607097E-05    0.149124E+03  0.407110E-07 0.100000E-04    0.991343E+00
  60    0.151283E-04    0.142956E+03 -0.105825E-06 0.100000E-04    0.997539E+00
  61   -0.133427E-04    0.136956E+03  0.974229E-07 0.100000E-04    0.991475E+00
  62    0.284731E-04    0.135275E+03 -0.210483E-06 0.100000E-04    0.996968E+00
  63   -0.193548E-04    0.130870E+03  0.147893E-06 0.100000E-04    0.995078E+00
  64    0.966076E-05    0.127683E+03 -0.756624E-07 0.100000E-04    0.990157E+00
  65   -0.843628E-07    0.126036E+03  0.669354E-09 0.100000E-04    0.385795E+00
  66    0.222220E-04    0.125266E+03 -0.177398E-06 0.100000E-04    0.995375E+00
  67    0.232761E-05    0.119525E+03 -0.194739E-07 0.100000E-04    0.997644E+00
  68    0.682233E-05    0.117970E+03 -0.578313E-07 0.100000E-04    0.994529E+00
  69   -0.227868E-05    0.116760E+03  0.195159E-07 0.100000E-04    0.981153E+00
  70   -0.151717E-04    0.111826E+03  0.135672E-06 0.100000E-04    0.996217E+00
  71    0.219417E-05    0.109102E+03 -0.201112E-07 0.100000E-04    0.986318E+00
  72    0.328040E-04    0.105153E+03 -0.311964E-06 0.100000E-04    0.993131E+00
  73    0.163342E-04    0.102932E+03 -0.158689E-06 0.100000E-04    0.993796E+00
  74   -0.284214E-04    0.100059E+03  0.284045E-06 0.100000E-04    0.996989E+00
  75    0.328072E-04    0.968225E+02 -0.338839E-06 0.100000E-04    0.992753E+00
  76    0.271609E-04    0.951221E+02 -0.285537E-06 0.100000E-04    0.997811E+00
  77   -0.543991E-04    0.914835E+02  0.594633E-06 0.100000E-04    0.996997E+00
  78   -0.196211E-05    0.906577E+02  0.216430E-07 0.100000E-04    0.995005E+00
  79   -0.274192E-04    0.893777E+02  0.306779E-06 0.100000E-04    0.996411E+00
  80    0.153362E-04    0.846633E+02 -0.181144E-06 0.100000E-04    0.995963E+00
  81   -0.151719E-04    0.809029E+02  0.187532E-06 0.100000E-04    0.995632E+00
  82    0.123900E-04    0.794775E+02 -0.155893E-06 0.100000E-04    0.996395E+00
  83    0.119141E-04    0.784769E+02 -0.151817E-06 0.100000E-04    0.999643E+00
  84    0.231551E-04    0.727660E+02 -0.318213E-06 0.100000E-04    0.992368E+00
  85   -0.346591E-04    0.717029E+02  0.483371E-06 0.100000E-04    0.994458E+00
  86   -0.319147E-04    0.684369E+02  0.466338E-06 0.100000E-04    0.993424E+00
  87   -0.202631E-04    0.678219E+02  0.298769E-06 0.100000E-04    0.975595E+00
  88    0.112186E-05    0.633896E+02 -0.176978E-07 0.100000E-04    0.990467E+00
  89    0.403095E-04    0.613245E+02 -0.657314E-06 0.100000E-04    0.995361E+00
  90   -0.193220E-04    0.596549E+02  0.323896E-06 0.100000E-04    0.991717E+00
  91    0.740936E-06    0.588869E+02 -0.125824E-07 0.100000E-04    0.986669E+00
  92    0.486380E-04    0.559114E+02 -0.869911E-06 0.100000E-04    0.996983E+00
  93    0.386680E-04    0.532726E+02 -0.725851E-06 0.100000E-04    0.998182E+00
  94    0.304646E-04    0.522269E+02 -0.583313E-06 0.100000E-04    0.993267E+00
  95    0.336620E-04    0.502406E+02 -0.670016E-06 0.100000E-04    0.999388E+00
  96   -0.110070E-04    0.478960E+02  0.229809E-06 0.100000E-04    0.996359E+00
  97    0.315846E-04    0.431739E+02 -0.731568E-06 0.100000E-04    0.993784E+00
  98    0.244751E-04    0.401032E+02 -0.610304E-06 0.100000E-04    0.994182E+00
  99    0.802387E-04    0.370184E+02 -0.216754E-05 0.100000E-04    0.991125E+00
 100    0.119068E-04    0.358747E+02 -0.331900E-06 0.100000E-04    0.965354E+00
 101    0.118455E-03    0.355623E+02 -0.333090E-05 0.100000E-04    0.999248E+00
 102   -0.724315E-04    0.289015E+02  0.250615E-05 0.100000E-04    0.994561E+00
 103   -0.306896E-04    0.287497E+02  0.106748E-05 0.100000E-04    0.999356E+00
 104    0.452176E-04    0.284886E+02 -0.158722E-05 0.100000E-04    0.990579E+00
 105    0.387640E-04    0.229850E+02 -0.168649E-05 0.100000E-04    0.994709E+00
 106   -0.162198E-05    0.219044E+02  0.740481E-07 0.100000E-04    0.626082E+00
 107    0.126119E-03    0.198408E+02 -0.635655E-05 0.100000E-04    0.998518E+00
 108   -0.520877E-04    0.168089E+02  0.309881E-05 0.100000E-04    0.987161E+00
 109    0.758841E-04    0.137741E+02 -0.550918E-05 0.100000E-04    0.999879E+00
 110    0.450414E-03    0.123382E+02 -0.100000E-04 0.100000E-04    0.825297E+00
 111   -0.236964E-02    0.102620E+02  0.100000E-04 0.100000E-04    0.559167E+00
 112    0.207765E-04    0.959377E+01 -0.216563E-05 0.100000E-04    0.968899E+00
 113   -0.116202E-01    0.757152E+01  0.125188E-04 0.125188E-04    0.727869E-01
 114   -0.439907E+00    0.468861E+01 -0.400000E-03 0.400000E-03    0.264909E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9301281380E-01

 Beginning of optimization cycle  211.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3825871315
 potential> RMS force:                                               0.0413912749   |gradient|=.4419378807    
 Eigenvalues of the Hessian matrix:
   726.15790    672.29088    625.39643    604.45872    589.27913    566.66451 
   565.47273    480.16765    467.77821    462.23750    441.33116    430.63753 
   421.19470    406.88403    397.94214    388.76409    367.24875    362.83724 
   351.72964    339.37552    324.81117    321.66448    318.99885    315.88868 
   304.95461    287.73872    279.42620    270.90892    265.98920    263.15053 
   258.30984    253.62613    242.88300    238.07846    235.47285    228.70349 
   222.57577    212.91081    211.69570    208.49211    203.23728    198.10050 
   195.51642    191.60648    185.48935    176.58034    171.13603    167.78969 
   165.57575    160.04078    153.51583    150.95966    149.12506    142.95857 
   136.95655    135.28049    130.86876    127.68374    126.03761    125.27147 
   119.52607    117.97020    116.76296    111.81889    109.09135    105.14938 
   102.93382    100.05601     96.81595     95.12237     91.49390     90.65237 
    89.38677     84.66565     80.90319     79.48073     78.47495     72.76461 
    71.70664     68.43112     67.81812     63.38905     61.31460     59.65506 
    58.88921     55.91272     53.26836     52.22689     50.23941     47.89431 
    43.17018     40.10548     37.01918     35.86675     35.56896     28.90022 
    28.74926     28.48044     22.98267     21.90280     19.84480     16.80952 
    13.77386     12.33685     10.25041      9.59453      7.57019      4.68601 
overlap for current and previous eigenvector    109 is        -0.9999990489
overlap for current and previous eigenvector    110 is        -0.9999989258
overlap for current and previous eigenvector    111 is         0.9999799733
overlap for current and previous eigenvector    112 is         0.9999817649
overlap for current and previous eigenvector    113 is        -0.9999979599
overlap for current and previous eigenvector    114 is         0.9999996087
J1,K1,R1,R2,RAT=   7   7   -0.1308573970E-01     2.012919136        0.9869142603    
FOB,PFOB,DIAG,PSTEP=   -0.1316380429E-05   -0.1299375720E-05     726.1579042        0.1789533601E-08
J1,K1,R1,R2,RAT=   8   8   -0.1190349723E-01     2.011864976        0.9880965028    
FOB,PFOB,DIAG,PSTEP=   -0.2481408062E-05   -0.2452217535E-05     672.2908806        0.3647624619E-08
J1,K1,R1,R2,RAT=   9   9   -0.1028739899E-03     2.000055482        0.9998971260    
FOB,PFOB,DIAG,PSTEP=    0.7125045886E-06    0.7124312963E-06     625.3964264       -0.1139194515E-08
J1,K1,R1,R2,RAT=  10  10    0.4903611106E-02     1.995084225        0.9950842252    
FOB,PFOB,DIAG,PSTEP=    0.1621481130E-05    0.1629471473E-05     604.4587238       -0.2695769485E-08
J1,K1,R1,R2,RAT=  11  11    0.9830519165E-03     1.999039882        0.9990169481    
FOB,PFOB,DIAG,PSTEP=   -0.1111537644E-05   -0.1112631406E-05     589.2791266        0.1888101237E-08
J1,K1,R1,R2,RAT= 109 109     2.000900569       -0.8660799649E-03    0.9991339200    
FOB,PFOB,DIAG,PSTEP=   -0.7594978264E-04    0.7588406211E-04     13.77386334       -0.5509184439E-05
J1,K1,R1,R2,RAT= 110 110     7.478208956       -0.1762826503        0.8237173497    
FOB,PFOB,DIAG,PSTEP=   -0.4721613856E-03    0.4504136681E-03     12.33684508       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4528614920         46.68786269        0.5471385080    
FOB,PFOB,DIAG,PSTEP=   -0.2416059090E-02   -0.2369638923E-02     10.25041143        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8411713111E-01     2.083959122        0.9158828689    
FOB,PFOB,DIAG,PSTEP=    0.2252430890E-04    0.2077651037E-04     9.594528824       -0.2165625047E-05
J1,K1,R1,R2,RAT= 113 113     246.0019381       -0.7704048561        0.2295951439    
FOB,PFOB,DIAG,PSTEP=    0.1169321665E-01   -0.1162020595E-01     7.570185160        0.1251875112E-04
J1,K1,R1,R2,RAT= 114 114    0.9973314831        -470.3800509        0.2668516897E-02
FOB,PFOB,DIAG,PSTEP=   -0.4417762044       -0.4399068007         4.686014019       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002     -0.00001     -0.00000     -0.00002     -0.00001      0.00002 
     0.00001      0.00003      0.00002     -0.00001     -0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00002      0.00000      0.00003 
     0.00002      0.00003      0.00003      0.00003     -0.00005      0.00000 
     0.00003      0.00002     -0.00002      0.00001     -0.00001      0.00002 
    -0.00003      0.00003      0.00002     -0.00000     -0.00004     -0.00002 
    -0.00000      0.00005      0.00004     -0.00003     -0.00003     -0.00001 
    -0.00003      0.00002     -0.00008      0.00001     -0.00012     -0.00007 
     0.00003      0.00005      0.00004      0.00000      0.00013     -0.00005 
    -0.00008     -0.00047     -0.00242      0.00002      0.01169     -0.44178 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4378245413
 Log product of positive Hessian eigenvalues =          520.1997408981
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6860140194
 Unscaled step for mode    7=        0.0000000018
 Unscaled step for mode    8=        0.0000000037
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000046
 Unscaled step for mode   13=        0.0000000032
 Unscaled step for mode   14=        0.0000000107
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000071
 Unscaled step for mode   17=       -0.0000000063
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000265
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000171
 Unscaled step for mode   22=       -0.0000000066
 Unscaled step for mode   23=        0.0000000029
 Unscaled step for mode   24=       -0.0000000031
 Unscaled step for mode   25=        0.0000000390
 Unscaled step for mode   26=        0.0000000663
 Unscaled step for mode   27=        0.0000000344
 Unscaled step for mode   28=       -0.0000000037
 Unscaled step for mode   29=       -0.0000000007
 Unscaled step for mode   30=        0.0000000608
 Unscaled step for mode   31=        0.0000000201
 Unscaled step for mode   32=        0.0000000087
 Unscaled step for mode   33=       -0.0000000266
 Unscaled step for mode   34=       -0.0000000164
 Unscaled step for mode   35=       -0.0000000747
 Unscaled step for mode   36=       -0.0000000284
 Unscaled step for mode   37=        0.0000000415
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000598
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000733
 Unscaled step for mode   42=        0.0000000248
 Unscaled step for mode   43=       -0.0000000257
 Unscaled step for mode   44=        0.0000000515
 Unscaled step for mode   45=       -0.0000000139
 Unscaled step for mode   46=       -0.0000000600
 Unscaled step for mode   47=        0.0000001145
 Unscaled step for mode   48=       -0.0000000065
 Unscaled step for mode   49=        0.0000000751
 Unscaled step for mode   50=        0.0000000424
 Unscaled step for mode   51=        0.0000000527
 Unscaled step for mode   52=        0.0000000024
 Unscaled step for mode   53=        0.0000000500
 Unscaled step for mode   54=        0.0000000462
 Unscaled step for mode   55=       -0.0000000992
 Unscaled step for mode   56=        0.0000000333
 Unscaled step for mode   57=        0.0000000279
 Unscaled step for mode   58=        0.0000001017
 Unscaled step for mode   59=        0.0000000406
 Unscaled step for mode   60=       -0.0000001064
 Unscaled step for mode   61=       -0.0000000979
 Unscaled step for mode   62=       -0.0000002108
 Unscaled step for mode   63=       -0.0000001481
 Unscaled step for mode   64=        0.0000000765
 Unscaled step for mode   65=        0.0000000007
 Unscaled step for mode   66=        0.0000001778
 Unscaled step for mode   67=       -0.0000000198
 Unscaled step for mode   68=        0.0000000580
 Unscaled step for mode   69=       -0.0000000196
 Unscaled step for mode   70=        0.0000001368
 Unscaled step for mode   71=       -0.0000000204
 Unscaled step for mode   72=       -0.0000003133
 Unscaled step for mode   73=       -0.0000001597
 Unscaled step for mode   74=       -0.0000002842
 Unscaled step for mode   75=       -0.0000003416
 Unscaled step for mode   76=       -0.0000002864
 Unscaled step for mode   77=        0.0000005969
 Unscaled step for mode   78=       -0.0000000213
 Unscaled step for mode   79=       -0.0000003047
 Unscaled step for mode   80=       -0.0000001821
 Unscaled step for mode   81=        0.0000001882
 Unscaled step for mode   82=       -0.0000001545
 Unscaled step for mode   83=        0.0000001528
 Unscaled step for mode   84=       -0.0000003194
 Unscaled step for mode   85=        0.0000004842
 Unscaled step for mode   86=       -0.0000004625
 Unscaled step for mode   87=       -0.0000003061
 Unscaled step for mode   88=        0.0000000169
 Unscaled step for mode   89=        0.0000006596
 Unscaled step for mode   90=        0.0000003240
 Unscaled step for mode   91=        0.0000000126
 Unscaled step for mode   92=       -0.0000008735
 Unscaled step for mode   93=       -0.0000007248
 Unscaled step for mode   94=        0.0000005853
 Unscaled step for mode   95=        0.0000006683
 Unscaled step for mode   96=        0.0000002307
 Unscaled step for mode   97=        0.0000007323
 Unscaled step for mode   98=       -0.0000006131
 Unscaled step for mode   99=        0.0000021771
 Unscaled step for mode  100=       -0.0000003235
 Unscaled step for mode  101=        0.0000033299
 Unscaled step for mode  102=        0.0000025123
 Unscaled step for mode  103=       -0.0000010615
 Unscaled step for mode  104=       -0.0000015910
 Unscaled step for mode  105=       -0.0000016934
 Unscaled step for mode  106=       -0.0000000626
 Unscaled step for mode  107=       -0.0000063557
 Unscaled step for mode  108=        0.0000030806
 Unscaled step for mode  109=        0.0000055141
 Unscaled step for mode  110=        0.0000382725
 Unscaled step for mode  111=        0.0002357036
 Unscaled step for mode  112=       -0.0000023476
 Unscaled step for mode  113=       -0.0015446371
 Unscaled step for mode  114=       -0.0934521402
 Largest modulus ratio of non-zero e/values=           154.9628109    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.410479E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.105384E-15    0.100741E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.472685E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.834511E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.132533E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.128234E-14    0.973698E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.131638E-05    0.726158E+03  0.181280E-08 0.100000E-04    0.986914E+00
   8   -0.248141E-05    0.672291E+03  0.369097E-08 0.100000E-04    0.988097E+00
   9    0.712505E-06    0.625396E+03 -0.113928E-08 0.100000E-04    0.999897E+00
  10    0.162148E-05    0.604459E+03 -0.268253E-08 0.100000E-04    0.995084E+00
  11   -0.111154E-05    0.589279E+03  0.188627E-08 0.100000E-04    0.999017E+00
  12    0.258601E-05    0.566665E+03 -0.456357E-08 0.100000E-04    0.984644E+00
  13   -0.178576E-05    0.565473E+03  0.315799E-08 0.100000E-04    0.966685E+00
  14   -0.515546E-05    0.480168E+03  0.107368E-07 0.100000E-04    0.995640E+00
  15    0.185150E-05    0.467778E+03 -0.395808E-08 0.100000E-04    0.995433E+00
  16    0.326618E-05    0.462238E+03 -0.706602E-08 0.100000E-04    0.994916E+00
  17    0.278608E-05    0.441331E+03 -0.631289E-08 0.100000E-04    0.998414E+00
  18    0.446102E-05    0.430638E+03 -0.103591E-07 0.100000E-04    0.997838E+00
  19   -0.111506E-04    0.421195E+03  0.264738E-07 0.100000E-04    0.996546E+00
  20    0.896662E-05    0.406884E+03 -0.220373E-07 0.100000E-04    0.998558E+00
  21    0.681147E-05    0.397942E+03 -0.171167E-07 0.100000E-04    0.998889E+00
  22    0.255427E-05    0.388764E+03 -0.657024E-08 0.100000E-04    0.987215E+00
  23   -0.107860E-05    0.367249E+03  0.293697E-08 0.100000E-04    0.981779E+00
  24    0.113490E-05    0.362837E+03 -0.312786E-08 0.100000E-04    0.985393E+00
  25   -0.137198E-04    0.351730E+03  0.390067E-07 0.100000E-04    0.995933E+00
  26   -0.224861E-04    0.339376E+03  0.662574E-07 0.100000E-04    0.995661E+00
  27   -0.111608E-04    0.324811E+03  0.343609E-07 0.100000E-04    0.995102E+00
  28    0.117466E-05    0.321664E+03 -0.365182E-08 0.100000E-04    0.916300E+00
  29    0.238573E-06    0.318999E+03 -0.747882E-09 0.100000E-04    0.775306E+00
  30   -0.192190E-04    0.315889E+03  0.608410E-07 0.100000E-04    0.995243E+00
  31   -0.614320E-05    0.304955E+03  0.201446E-07 0.100000E-04    0.989069E+00
  32   -0.251634E-05    0.287739E+03  0.874523E-08 0.100000E-04    0.990179E+00
  33    0.742974E-05    0.279426E+03 -0.265893E-07 0.100000E-04    0.996717E+00
  34    0.443876E-05    0.270909E+03 -0.163847E-07 0.100000E-04    0.994712E+00
  35    0.198647E-04    0.265989E+03 -0.746825E-07 0.100000E-04    0.996239E+00
  36    0.746894E-05    0.263151E+03 -0.283828E-07 0.100000E-04    0.990146E+00
  37   -0.107120E-04    0.258310E+03  0.414697E-07 0.100000E-04    0.994489E+00
  38   -0.372826E-05    0.253626E+03  0.146998E-07 0.100000E-04    0.999386E+00
  39   -0.145276E-04    0.242883E+03  0.598133E-07 0.100000E-04    0.997281E+00
  40    0.996225E-05    0.238078E+03 -0.418444E-07 0.100000E-04    0.999507E+00
  41    0.172629E-04    0.235473E+03 -0.733116E-07 0.100000E-04    0.989058E+00
  42   -0.566442E-05    0.228703E+03  0.247675E-07 0.100000E-04    0.991757E+00
  43    0.572990E-05    0.222576E+03 -0.257436E-07 0.100000E-04    0.988484E+00
  44   -0.109677E-04    0.212911E+03  0.515131E-07 0.100000E-04    0.987901E+00
  45    0.293216E-05    0.211696E+03 -0.138508E-07 0.100000E-04    0.985185E+00
  46    0.125175E-04    0.208492E+03 -0.600381E-07 0.100000E-04    0.992617E+00
  47   -0.232637E-04    0.203237E+03  0.114466E-06 0.100000E-04    0.995378E+00
  48    0.129157E-05    0.198100E+03 -0.651975E-08 0.100000E-04    0.977875E+00
  49   -0.146866E-04    0.195516E+03  0.751168E-07 0.100000E-04    0.993186E+00
  50   -0.811641E-05    0.191606E+03  0.423598E-07 0.100000E-04    0.998076E+00
  51   -0.978097E-05    0.185489E+03  0.527306E-07 0.100000E-04    0.993067E+00
  52   -0.419878E-06    0.176580E+03  0.237783E-08 0.100000E-04    0.949837E+00
  53   -0.856251E-05    0.171136E+03  0.500334E-07 0.100000E-04    0.996171E+00
  54   -0.775977E-05    0.167790E+03  0.462470E-07 0.100000E-04    0.989905E+00
  55    0.164258E-04    0.165576E+03 -0.992039E-07 0.100000E-04    0.996685E+00
  56   -0.532807E-05    0.160041E+03  0.332920E-07 0.100000E-04    0.999757E+00
  57   -0.428368E-05    0.153516E+03  0.279038E-07 0.100000E-04    0.991845E+00
  58   -0.153471E-04    0.150960E+03  0.101663E-06 0.100000E-04    0.994846E+00
  59   -0.605317E-05    0.149125E+03  0.405912E-07 0.100000E-04    0.997048E+00
  60    0.152071E-04    0.142959E+03 -0.106374E-06 0.100000E-04    0.994795E+00
  61    0.134053E-04    0.136957E+03 -0.978797E-07 0.100000E-04    0.995308E+00
  62    0.285201E-04    0.135280E+03 -0.210822E-06 0.100000E-04    0.998349E+00
  63    0.193769E-04    0.130869E+03 -0.148064E-06 0.100000E-04    0.998854E+00
  64   -0.976824E-05    0.127684E+03  0.765034E-07 0.100000E-04    0.988875E+00
  65   -0.873602E-07    0.126038E+03  0.693128E-09 0.100000E-04    0.964471E+00
  66   -0.222734E-04    0.125271E+03  0.177801E-06 0.100000E-04    0.997691E+00
  67    0.236938E-05    0.119526E+03 -0.198231E-07 0.100000E-04    0.982057E+00
  68   -0.684531E-05    0.117970E+03  0.580258E-07 0.100000E-04    0.996631E+00
  69    0.229396E-05    0.116763E+03 -0.196463E-07 0.100000E-04    0.993294E+00
  70   -0.152939E-04    0.111819E+03  0.136774E-06 0.100000E-04    0.991943E+00
  71    0.222368E-05    0.109091E+03 -0.203836E-07 0.100000E-04    0.986552E+00
  72    0.329479E-04    0.105149E+03 -0.313344E-06 0.100000E-04    0.995611E+00
  73    0.164436E-04    0.102934E+03 -0.159750E-06 0.100000E-04    0.993302E+00
  74    0.284355E-04    0.100056E+03 -0.284196E-06 0.100000E-04    0.999503E+00
  75    0.330727E-04    0.968159E+02 -0.341604E-06 0.100000E-04    0.991907E+00
  76    0.272384E-04    0.951224E+02 -0.286351E-06 0.100000E-04    0.997146E+00
  77   -0.546090E-04    0.914939E+02  0.596859E-06 0.100000E-04    0.996142E+00
  78    0.192751E-05    0.906524E+02 -0.212626E-07 0.100000E-04    0.982365E+00
  79    0.272384E-04    0.893868E+02 -0.304726E-06 0.100000E-04    0.993204E+00
  80    0.154185E-04    0.846657E+02 -0.182110E-06 0.100000E-04    0.994637E+00
  81   -0.152234E-04    0.809032E+02  0.188168E-06 0.100000E-04    0.996605E+00
  82    0.122822E-04    0.794807E+02 -0.154531E-06 0.100000E-04    0.991220E+00
  83   -0.119930E-04    0.784749E+02  0.152825E-06 0.100000E-04    0.993381E+00
  84    0.232428E-04    0.727646E+02 -0.319425E-06 0.100000E-04    0.996209E+00
  85   -0.347220E-04    0.717066E+02  0.484222E-06 0.100000E-04    0.998186E+00
  86    0.316528E-04    0.684311E+02 -0.462550E-06 0.100000E-04    0.991791E+00
  87    0.207615E-04    0.678181E+02 -0.306135E-06 0.100000E-04    0.975404E+00
  88   -0.106891E-05    0.633890E+02  0.168627E-07 0.100000E-04    0.952803E+00
  89   -0.404406E-04    0.613146E+02  0.659559E-06 0.100000E-04    0.996747E+00
  90   -0.193304E-04    0.596551E+02  0.324036E-06 0.100000E-04    0.999566E+00
  91   -0.739731E-06    0.588892E+02  0.125614E-07 0.100000E-04    0.998296E+00
  92    0.488410E-04    0.559127E+02 -0.873522E-06 0.100000E-04    0.995826E+00
  93    0.386082E-04    0.532684E+02 -0.724787E-06 0.100000E-04    0.998454E+00
  94   -0.305661E-04    0.522269E+02  0.585257E-06 0.100000E-04    0.996668E+00
  95   -0.335760E-04    0.502394E+02  0.668321E-06 0.100000E-04    0.997445E+00
  96   -0.110483E-04    0.478943E+02  0.230681E-06 0.100000E-04    0.996242E+00
  97   -0.316128E-04    0.431702E+02  0.732282E-06 0.100000E-04    0.999109E+00
  98    0.245874E-04    0.401055E+02 -0.613067E-06 0.100000E-04    0.995415E+00
  99   -0.805962E-04    0.370192E+02  0.217715E-05 0.100000E-04    0.995545E+00
 100    0.116028E-04    0.358667E+02 -0.323497E-06 0.100000E-04    0.974459E+00
 101   -0.118440E-03    0.355690E+02  0.332986E-05 0.100000E-04    0.999499E+00
 102   -0.726066E-04    0.289002E+02  0.251232E-05 0.100000E-04    0.997583E+00
 103    0.305170E-04    0.287493E+02 -0.106149E-05 0.100000E-04    0.994375E+00
 104    0.453121E-04    0.284804E+02 -0.159099E-05 0.100000E-04    0.997909E+00
 105    0.389186E-04    0.229827E+02 -0.169339E-05 0.100000E-04    0.996011E+00
 106    0.137111E-05    0.219028E+02 -0.625996E-07 0.100000E-04    0.845315E+00
 107    0.126127E-03    0.198448E+02 -0.635566E-05 0.100000E-04    0.999658E+00
 108   -0.517841E-04    0.168095E+02  0.308064E-05 0.100000E-04    0.994103E+00
 109   -0.759498E-04    0.137739E+02  0.551405E-05 0.100000E-04    0.999134E+00
 110   -0.472161E-03    0.123368E+02  0.100000E-04 0.100000E-04    0.823717E+00
 111   -0.241606E-02    0.102504E+02  0.100000E-04 0.100000E-04    0.547139E+00
 112    0.225243E-04    0.959453E+01 -0.234762E-05 0.100000E-04    0.915883E+00
 113    0.116932E-01    0.757019E+01 -0.112782E-04 0.112782E-04    0.229595E+00
 114   -0.441776E+00    0.468601E+01 -0.400000E-03 0.400000E-03    0.266852E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9345214022E-01

 Beginning of optimization cycle  212.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3824102067
 potential> RMS force:                                               0.0415664265   |gradient|=.4438079889    
 Eigenvalues of the Hessian matrix:
   726.21843    672.30392    625.41124    604.46216    589.27243    566.69796 
   565.49582    480.18875    467.75530    462.22839    441.33069    430.62857 
   421.20146    406.89448    397.93801    388.76634    367.25271    362.82756 
   351.72187    339.34161    324.81822    321.66142    319.01294    315.86117 
   304.94906    287.74415    279.42077    270.90475    265.99417    263.16060 
   258.31794    253.62883    242.87598    238.06716    235.48172    228.70394 
   222.55601    212.91637    211.70027    208.47968    203.24058    198.09653 
   195.51602    191.60629    185.47941    176.56662    171.14162    167.78592 
   165.57338    160.03382    153.51741    150.95977    149.12644    142.96157 
   136.95705    135.28587    130.86718    127.68492    126.03898    125.27661 
   119.52758    117.97083    116.76571    111.81166    109.08037    105.14584 
   102.93535    100.05261     96.80937     95.12263     91.50428     90.64707 
    89.39579     84.66796     80.90344     79.48396     78.47304     72.76328 
    71.71041     68.42555     67.81413     63.38852     61.30475     59.65525 
    58.89153     55.91402     53.26409     52.22690     50.23817     47.89259 
    43.16647     40.10782     37.02007     35.85874     35.57565     28.89894 
    28.74882     28.47226     22.98036     21.90109     19.84886     16.81010 
    13.77363     12.33554     10.23890      9.59523      7.56884      4.68340 
overlap for current and previous eigenvector    109 is         0.9999990600
overlap for current and previous eigenvector    110 is        -0.9999989378
overlap for current and previous eigenvector    111 is         0.9999787035
overlap for current and previous eigenvector    112 is         0.9999804586
overlap for current and previous eigenvector    113 is        -0.9999979331
overlap for current and previous eigenvector    114 is        -0.9999996110
J1,K1,R1,R2,RAT=   7   7   -0.1511242135E-01     2.014945720        0.9848875787    
FOB,PFOB,DIAG,PSTEP=   -0.1336275783E-05   -0.1316380429E-05     726.2184349        0.1812801900E-08
J1,K1,R1,R2,RAT=   8   8   -0.1401790528E-02     2.001363005        0.9985982095    
FOB,PFOB,DIAG,PSTEP=   -0.2484886544E-05   -0.2481408062E-05     672.3039185        0.3690973853E-08
J1,K1,R1,R2,RAT=   9   9    0.1033085697E-01     1.989621771        0.9896217714    
FOB,PFOB,DIAG,PSTEP=    0.7051436313E-06    0.7125045886E-06     625.4112398       -0.1139284714E-08
J1,K1,R1,R2,RAT=  10  10   -0.8454565476E-02     2.008443182        0.9915454345    
FOB,PFOB,DIAG,PSTEP=    0.1635190126E-05    0.1621481130E-05     604.4621642       -0.2682534085E-08
J1,K1,R1,R2,RAT=  11  11   -0.3492301066E-02     2.003515015        0.9965076989    
FOB,PFOB,DIAG,PSTEP=   -0.1115419424E-05   -0.1111537644E-05     589.2724342        0.1886266786E-08
J1,K1,R1,R2,RAT= 109 109    0.1053018567E-03     1.999927858        0.9998946981    
FOB,PFOB,DIAG,PSTEP=   -0.7594178512E-04   -0.7594978264E-04     13.77363497        0.5514050835E-05
J1,K1,R1,R2,RAT= 110 110     7.841213982       -0.1859109380        0.8140890620    
FOB,PFOB,DIAG,PSTEP=    0.4950944989E-03   -0.4721613856E-03     12.33553741        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4484376063         47.64215634        0.5515623937    
FOB,PFOB,DIAG,PSTEP=   -0.2461974172E-02   -0.2416059090E-02     10.23890108        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.3430440094E-01     2.034157491        0.9656955991    
FOB,PFOB,DIAG,PSTEP=    0.2329704858E-04    0.2252430890E-04     9.595233640       -0.2347620119E-05
J1,K1,R1,R2,RAT= 113 113     274.9257812       -0.9597540076        0.4024599237E-01
FOB,PFOB,DIAG,PSTEP=   -0.1177514368E-01    0.1169321665E-01     7.568838756       -0.1127815416E-04
J1,K1,R1,R2,RAT= 114 114    -472.6382015        0.9973237476        0.2676252439E-02
FOB,PFOB,DIAG,PSTEP=    0.4436445493       -0.4417762044         4.683396046       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002     -0.00001     -0.00000     -0.00002     -0.00001      0.00002 
     0.00001     -0.00003     -0.00002      0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000      0.00002      0.00000     -0.00003 
    -0.00002     -0.00003     -0.00003     -0.00003      0.00005     -0.00000 
    -0.00003     -0.00002      0.00002     -0.00001     -0.00001     -0.00002 
    -0.00003      0.00003      0.00002      0.00000      0.00004      0.00002 
    -0.00000      0.00005     -0.00004      0.00003      0.00003     -0.00001 
    -0.00003      0.00002     -0.00008      0.00001      0.00012      0.00007 
    -0.00003     -0.00005      0.00004     -0.00000      0.00013      0.00005 
    -0.00008      0.00050     -0.00246      0.00002     -0.01178      0.44364 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4377800995
 Log product of positive Hessian eigenvalues =          520.1970358859
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6833960462
 Unscaled step for mode    7=        0.0000000018
 Unscaled step for mode    8=        0.0000000037
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000045
 Unscaled step for mode   13=        0.0000000032
 Unscaled step for mode   14=        0.0000000107
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000071
 Unscaled step for mode   17=       -0.0000000064
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000266
 Unscaled step for mode   20=       -0.0000000221
 Unscaled step for mode   21=       -0.0000000172
 Unscaled step for mode   22=       -0.0000000067
 Unscaled step for mode   23=        0.0000000029
 Unscaled step for mode   24=       -0.0000000031
 Unscaled step for mode   25=        0.0000000392
 Unscaled step for mode   26=        0.0000000666
 Unscaled step for mode   27=        0.0000000345
 Unscaled step for mode   28=       -0.0000000040
 Unscaled step for mode   29=       -0.0000000010
 Unscaled step for mode   30=        0.0000000610
 Unscaled step for mode   31=        0.0000000203
 Unscaled step for mode   32=        0.0000000089
 Unscaled step for mode   33=       -0.0000000268
 Unscaled step for mode   34=       -0.0000000166
 Unscaled step for mode   35=       -0.0000000748
 Unscaled step for mode   36=       -0.0000000287
 Unscaled step for mode   37=        0.0000000417
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000600
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000741
 Unscaled step for mode   42=        0.0000000249
 Unscaled step for mode   43=       -0.0000000259
 Unscaled step for mode   44=        0.0000000518
 Unscaled step for mode   45=       -0.0000000139
 Unscaled step for mode   46=       -0.0000000603
 Unscaled step for mode   47=        0.0000001148
 Unscaled step for mode   48=       -0.0000000066
 Unscaled step for mode   49=        0.0000000754
 Unscaled step for mode   50=        0.0000000427
 Unscaled step for mode   51=        0.0000000529
 Unscaled step for mode   52=        0.0000000024
 Unscaled step for mode   53=        0.0000000502
 Unscaled step for mode   54=        0.0000000465
 Unscaled step for mode   55=       -0.0000000995
 Unscaled step for mode   56=        0.0000000334
 Unscaled step for mode   57=        0.0000000281
 Unscaled step for mode   58=        0.0000001023
 Unscaled step for mode   59=        0.0000000402
 Unscaled step for mode   60=       -0.0000001066
 Unscaled step for mode   61=       -0.0000000987
 Unscaled step for mode   62=        0.0000002114
 Unscaled step for mode   63=        0.0000001488
 Unscaled step for mode   64=       -0.0000000772
 Unscaled step for mode   65=        0.0000000010
 Unscaled step for mode   66=       -0.0000001786
 Unscaled step for mode   67=        0.0000000198
 Unscaled step for mode   68=       -0.0000000583
 Unscaled step for mode   69=        0.0000000200
 Unscaled step for mode   70=       -0.0000001373
 Unscaled step for mode   71=       -0.0000000207
 Unscaled step for mode   72=        0.0000003155
 Unscaled step for mode   73=        0.0000001607
 Unscaled step for mode   74=        0.0000002850
 Unscaled step for mode   75=        0.0000003441
 Unscaled step for mode   76=        0.0000002869
 Unscaled step for mode   77=       -0.0000005985
 Unscaled step for mode   78=        0.0000000212
 Unscaled step for mode   79=        0.0000003036
 Unscaled step for mode   80=        0.0000001828
 Unscaled step for mode   81=       -0.0000001890
 Unscaled step for mode   82=        0.0000001539
 Unscaled step for mode   83=        0.0000001529
 Unscaled step for mode   84=        0.0000003218
 Unscaled step for mode   85=        0.0000004868
 Unscaled step for mode   86=       -0.0000004592
 Unscaled step for mode   87=       -0.0000003133
 Unscaled step for mode   88=       -0.0000000170
 Unscaled step for mode   89=       -0.0000006627
 Unscaled step for mode   90=       -0.0000003267
 Unscaled step for mode   91=        0.0000000127
 Unscaled step for mode   92=       -0.0000008761
 Unscaled step for mode   93=        0.0000007261
 Unscaled step for mode   94=       -0.0000005891
 Unscaled step for mode   95=       -0.0000006687
 Unscaled step for mode   96=        0.0000002298
 Unscaled step for mode   97=        0.0000007368
 Unscaled step for mode   98=       -0.0000006166
 Unscaled step for mode   99=        0.0000021960
 Unscaled step for mode  100=       -0.0000003117
 Unscaled step for mode  101=       -0.0000033314
 Unscaled step for mode  102=       -0.0000025261
 Unscaled step for mode  103=        0.0000010599
 Unscaled step for mode  104=        0.0000016066
 Unscaled step for mode  105=       -0.0000017024
 Unscaled step for mode  106=        0.0000000829
 Unscaled step for mode  107=       -0.0000063628
 Unscaled step for mode  108=       -0.0000030404
 Unscaled step for mode  109=        0.0000055136
 Unscaled step for mode  110=       -0.0000401356
 Unscaled step for mode  111=        0.0002404530
 Unscaled step for mode  112=       -0.0000024280
 Unscaled step for mode  113=        0.0015557360
 Unscaled step for mode  114=        0.0938920183
 Largest modulus ratio of non-zero e/values=           155.0623581    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.659629E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.792985E-15    0.100741E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.300975E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.142030E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.830875E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.421565E-15    0.973700E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.133628E-05    0.726218E+03  0.184005E-08 0.100000E-04    0.984888E+00
   8   -0.248489E-05    0.672304E+03  0.369608E-08 0.100000E-04    0.998598E+00
   9    0.705144E-06    0.625411E+03 -0.112749E-08 0.100000E-04    0.989622E+00
  10    0.163519E-05    0.604462E+03 -0.270520E-08 0.100000E-04    0.991545E+00
  11   -0.111542E-05    0.589272E+03  0.189288E-08 0.100000E-04    0.996508E+00
  12    0.255657E-05    0.566698E+03 -0.451135E-08 0.100000E-04    0.988498E+00
  13   -0.181369E-05    0.565496E+03  0.320725E-08 0.100000E-04    0.984360E+00
  14   -0.514699E-05    0.480189E+03  0.107187E-07 0.100000E-04    0.998268E+00
  15    0.184163E-05    0.467755E+03 -0.393717E-08 0.100000E-04    0.994667E+00
  16    0.329462E-05    0.462228E+03 -0.712768E-08 0.100000E-04    0.991294E+00
  17    0.281420E-05    0.441331E+03 -0.637663E-08 0.100000E-04    0.989904E+00
  18    0.446566E-05    0.430629E+03 -0.103701E-07 0.100000E-04    0.998960E+00
  19   -0.112030E-04    0.421201E+03  0.265977E-07 0.100000E-04    0.995305E+00
  20    0.897719E-05    0.406894E+03 -0.220627E-07 0.100000E-04    0.998821E+00
  21    0.683251E-05    0.397938E+03 -0.171698E-07 0.100000E-04    0.996910E+00
  22    0.259257E-05    0.388766E+03 -0.666871E-08 0.100000E-04    0.985007E+00
  23   -0.107480E-05    0.367253E+03  0.292660E-08 0.100000E-04    0.996457E+00
  24    0.111725E-05    0.362828E+03 -0.307928E-08 0.100000E-04    0.984444E+00
  25   -0.137750E-04    0.351722E+03  0.391646E-07 0.100000E-04    0.995975E+00
  26   -0.225940E-04    0.339342E+03  0.665820E-07 0.100000E-04    0.995201E+00
  27   -0.112052E-04    0.324818E+03  0.344968E-07 0.100000E-04    0.996025E+00
  28    0.127254E-05    0.321661E+03 -0.395615E-08 0.100000E-04    0.916674E+00
  29    0.305157E-06    0.319013E+03 -0.956567E-09 0.100000E-04    0.720921E+00
  30   -0.192762E-04    0.315861E+03  0.610275E-07 0.100000E-04    0.997022E+00
  31   -0.618200E-05    0.304949E+03  0.202722E-07 0.100000E-04    0.993684E+00
  32   -0.254869E-05    0.287744E+03  0.885747E-08 0.100000E-04    0.987147E+00
  33    0.747820E-05    0.279421E+03 -0.267632E-07 0.100000E-04    0.993478E+00
  34    0.448408E-05    0.270905E+03 -0.165522E-07 0.100000E-04    0.989790E+00
  35    0.199062E-04    0.265994E+03 -0.748369E-07 0.100000E-04    0.997914E+00
  36    0.754020E-05    0.263161E+03 -0.286525E-07 0.100000E-04    0.990459E+00
  37   -0.107715E-04    0.258318E+03  0.416985E-07 0.100000E-04    0.994451E+00
  38   -0.371804E-05    0.253629E+03  0.146594E-07 0.100000E-04    0.997239E+00
  39   -0.145819E-04    0.242876E+03  0.600387E-07 0.100000E-04    0.996261E+00
  40    0.994534E-05    0.238067E+03 -0.417754E-07 0.100000E-04    0.998302E+00
  41    0.174405E-04    0.235482E+03 -0.740632E-07 0.100000E-04    0.989712E+00
  42   -0.569552E-05    0.228704E+03  0.249035E-07 0.100000E-04    0.994510E+00
  43    0.577024E-05    0.222556E+03 -0.259271E-07 0.100000E-04    0.992959E+00
  44   -0.110322E-04    0.212916E+03  0.518148E-07 0.100000E-04    0.994117E+00
  45    0.294043E-05    0.211700E+03 -0.138896E-07 0.100000E-04    0.997183E+00
  46    0.125810E-04    0.208480E+03 -0.603464E-07 0.100000E-04    0.994925E+00
  47   -0.233295E-04    0.203241E+03  0.114788E-06 0.100000E-04    0.997172E+00
  48    0.131652E-05    0.198097E+03 -0.664585E-08 0.100000E-04    0.980679E+00
  49   -0.147452E-04    0.195516E+03  0.754170E-07 0.100000E-04    0.996006E+00
  50   -0.818267E-05    0.191606E+03  0.427056E-07 0.100000E-04    0.991837E+00
  51   -0.981400E-05    0.185479E+03  0.529116E-07 0.100000E-04    0.996622E+00
  52   -0.425772E-06    0.176567E+03  0.241140E-08 0.100000E-04    0.985960E+00
  53   -0.859333E-05    0.171142E+03  0.502118E-07 0.100000E-04    0.996401E+00
  54   -0.780900E-05    0.167786E+03  0.465415E-07 0.100000E-04    0.993655E+00
  55    0.164664E-04    0.165573E+03 -0.994506E-07 0.100000E-04    0.997528E+00
  56   -0.535280E-05    0.160034E+03  0.334479E-07 0.100000E-04    0.995359E+00
  57   -0.431988E-05    0.153517E+03  0.281393E-07 0.100000E-04    0.991549E+00
  58   -0.154363E-04    0.150960E+03  0.102255E-06 0.100000E-04    0.994185E+00
  59   -0.599845E-05    0.149126E+03  0.402239E-07 0.100000E-04    0.990942E+00
  60    0.152441E-04    0.142962E+03 -0.106631E-06 0.100000E-04    0.997566E+00
  61    0.135188E-04    0.136957E+03 -0.987081E-07 0.100000E-04    0.991533E+00
  62   -0.286050E-04    0.135286E+03  0.211441E-06 0.100000E-04    0.997026E+00
  63   -0.194708E-04    0.130867E+03  0.148783E-06 0.100000E-04    0.995155E+00
  64    0.986355E-05    0.127685E+03 -0.772491E-07 0.100000E-04    0.990244E+00
  65   -0.121690E-06    0.126039E+03  0.965495E-09 0.100000E-04    0.607035E+00
  66    0.223750E-04    0.125277E+03 -0.178605E-06 0.100000E-04    0.995435E+00
  67   -0.236438E-05    0.119528E+03  0.197810E-07 0.100000E-04    0.997865E+00
  68    0.688235E-05    0.117971E+03 -0.583394E-07 0.100000E-04    0.994590E+00
  69   -0.233609E-05    0.116766E+03  0.200066E-07 0.100000E-04    0.981638E+00
  70    0.153515E-04    0.111812E+03 -0.137298E-06 0.100000E-04    0.996232E+00
  71    0.225364E-05    0.109080E+03 -0.206604E-07 0.100000E-04    0.986522E+00
  72   -0.331722E-04    0.105146E+03  0.315488E-06 0.100000E-04    0.993192E+00
  73   -0.165443E-04    0.102935E+03  0.160725E-06 0.100000E-04    0.993879E+00
  74   -0.285190E-04    0.100053E+03  0.285040E-06 0.100000E-04    0.997062E+00
  75   -0.333115E-04    0.968094E+02  0.344094E-06 0.100000E-04    0.992780E+00
  76   -0.272944E-04    0.951226E+02  0.286939E-06 0.100000E-04    0.997945E+00
  77    0.547682E-04    0.915043E+02 -0.598532E-06 0.100000E-04    0.997085E+00
  78   -0.191726E-05    0.906471E+02  0.211509E-07 0.100000E-04    0.994684E+00
  79   -0.271421E-04    0.893958E+02  0.303617E-06 0.100000E-04    0.996262E+00
  80   -0.154793E-04    0.846680E+02  0.182824E-06 0.100000E-04    0.996052E+00
  81    0.152892E-04    0.809034E+02 -0.188981E-06 0.100000E-04    0.995676E+00
  82   -0.122364E-04    0.794840E+02  0.153949E-06 0.100000E-04    0.996193E+00
  83   -0.119972E-04    0.784730E+02  0.152883E-06 0.100000E-04    0.999646E+00
  84   -0.234181E-04    0.727633E+02  0.321840E-06 0.100000E-04    0.992459E+00
  85   -0.349114E-04    0.717104E+02  0.486839E-06 0.100000E-04    0.994544E+00
  86    0.314212E-04    0.684255E+02 -0.459202E-06 0.100000E-04    0.992682E+00
  87    0.212448E-04    0.678141E+02 -0.313280E-06 0.100000E-04    0.976719E+00
  88    0.107721E-05    0.633885E+02 -0.169938E-07 0.100000E-04    0.992233E+00
  89    0.406257E-04    0.613048E+02 -0.662684E-06 0.100000E-04    0.995422E+00
  90    0.194891E-04    0.596552E+02 -0.326696E-06 0.100000E-04    0.991790E+00
  91   -0.748428E-06    0.588915E+02  0.127086E-07 0.100000E-04    0.988245E+00
  92    0.489847E-04    0.559140E+02 -0.876072E-06 0.100000E-04    0.997057E+00
  93   -0.386760E-04    0.532641E+02  0.726118E-06 0.100000E-04    0.998244E+00
  94    0.307693E-04    0.522269E+02 -0.589146E-06 0.100000E-04    0.993355E+00
  95    0.335947E-04    0.502382E+02 -0.668709E-06 0.100000E-04    0.999443E+00
  96   -0.110071E-04    0.478926E+02  0.229830E-06 0.100000E-04    0.996272E+00
  97   -0.318063E-04    0.431665E+02  0.736828E-06 0.100000E-04    0.993879E+00
  98    0.247298E-04    0.401078E+02 -0.616584E-06 0.100000E-04    0.994205E+00
  99   -0.812948E-04    0.370201E+02  0.219596E-05 0.100000E-04    0.991333E+00
 100    0.111755E-04    0.358587E+02 -0.311654E-06 0.100000E-04    0.963167E+00
 101    0.118517E-03    0.355756E+02 -0.333142E-05 0.100000E-04    0.999343E+00
 102    0.730025E-04    0.288989E+02 -0.252613E-05 0.100000E-04    0.994546E+00
 103   -0.304703E-04    0.287488E+02  0.105988E-05 0.100000E-04    0.998469E+00
 104   -0.457434E-04    0.284723E+02  0.160660E-05 0.100000E-04    0.990478E+00
 105    0.391215E-04    0.229804E+02 -0.170239E-05 0.100000E-04    0.994787E+00
 106   -0.181525E-05    0.219011E+02  0.828838E-07 0.100000E-04    0.676046E+00
 107    0.126295E-03    0.198489E+02 -0.636284E-05 0.100000E-04    0.998666E+00
 108    0.511099E-04    0.168101E+02 -0.304043E-05 0.100000E-04    0.986911E+00
 109   -0.759418E-04    0.137736E+02  0.551356E-05 0.100000E-04    0.999895E+00
 110    0.495094E-03    0.123355E+02 -0.100000E-04 0.100000E-04    0.814089E+00
 111   -0.246197E-02    0.102389E+02  0.100000E-04 0.100000E-04    0.551562E+00
 112    0.232970E-04    0.959523E+01 -0.242798E-05 0.100000E-04    0.965696E+00
 113   -0.117751E-01    0.756884E+01  0.122932E-04 0.122932E-04    0.402460E-01
 114    0.443645E+00    0.468340E+01  0.400000E-03 0.400000E-03    0.267625E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9389201827E-01

 Beginning of optimization cycle  213.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3822325483
 potential> RMS force:                                               0.0417414585   |gradient|=.4456768190    
 Eigenvalues of the Hessian matrix:
   726.27894    672.31684    625.42598    604.46559    589.26562    566.73179 
   565.51853    480.20987    467.73237    462.21932    441.33025    430.61971 
   421.20823    406.90492    397.93387    388.76858    367.25673    362.81788 
   351.71418    339.30784    324.82534    321.65842    319.02701    315.83360 
   304.94350    287.74962    279.41534    270.90064    265.99922    263.17070 
   258.32619    253.63155    242.86906    238.05601    235.49049    228.70439 
   222.53626    212.92202    211.70486    208.46728    203.24389    198.09258 
   195.51560    191.60608    185.46947    176.55290    171.14723    167.78219 
   165.57099    160.02681    153.51907    150.95992    149.12768    142.96453 
   136.95756    135.29127    130.86556    127.68615    126.04030    125.28172 
   119.52910    117.97145    116.76844    111.80444    109.06936    105.14228 
   102.93689    100.04923     96.80272     95.12285     91.51473     90.64181 
    89.40475     84.67029     80.90368     79.48719     78.47112     72.76196 
    71.71416     68.42007     67.80994     63.38799     61.29485     59.65544 
    58.89382     55.91530     53.25979     52.22691     50.23693     47.89084 
    43.16278     40.11015     37.02102     35.85062     35.58228     28.89769 
    28.74838     28.46406     22.97811     21.89934     19.85291     16.81066 
    13.77341     12.33425     10.22745      9.59589      7.56745      4.68075 
overlap for current and previous eigenvector    109 is         0.9999990688
overlap for current and previous eigenvector    110 is         0.9999989523
overlap for current and previous eigenvector    111 is         0.9999772739
overlap for current and previous eigenvector    112 is        -0.9999789920
overlap for current and previous eigenvector    113 is         0.9999979022
overlap for current and previous eigenvector    114 is         0.9999996123
J1,K1,R1,R2,RAT=   7   7   -0.1288062912E-01     2.012714009        0.9871193709    
FOB,PFOB,DIAG,PSTEP=   -0.1353489289E-05   -0.1336275783E-05     726.2789413        0.1840046628E-08
J1,K1,R1,R2,RAT=   8   8   -0.1168835447E-01     2.011649917        0.9883116455    
FOB,PFOB,DIAG,PSTEP=   -0.2513931337E-05   -0.2484886544E-05     672.3168397        0.3696076247E-08
J1,K1,R1,R2,RAT=   9   9    0.4243782379E-03     1.999528470        0.9995284696    
FOB,PFOB,DIAG,PSTEP=    0.7048443766E-06    0.7051436313E-06     625.4259849       -0.1127487941E-08
J1,K1,R1,R2,RAT=  10  10    0.4815386211E-02     1.995173277        0.9951732772    
FOB,PFOB,DIAG,PSTEP=    0.1627316009E-05    0.1635190126E-05     604.4655905       -0.2705198477E-08
J1,K1,R1,R2,RAT=  11  11    0.1049325748E-02     1.998973799        0.9989506743    
FOB,PFOB,DIAG,PSTEP=   -0.1114248999E-05   -0.1115419424E-05     589.2656210        0.1892875620E-08
J1,K1,R1,R2,RAT= 109 109   -0.8824985862E-03     2.000914747        0.9991175014    
FOB,PFOB,DIAG,PSTEP=   -0.7600880256E-04   -0.7594178512E-04     13.77341289        0.5513561618E-05
J1,K1,R1,R2,RAT= 110 110   -0.1874080260         8.215373750        0.8125919740    
FOB,PFOB,DIAG,PSTEP=    0.5182098648E-03    0.4950944989E-03     12.33424546       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4604538164         48.60489620        0.5395461836    
FOB,PFOB,DIAG,PSTEP=   -0.2509066852E-02   -0.2461974172E-02     10.22744911        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.082316825       -0.8245428938E-01    0.9175457106    
FOB,PFOB,DIAG,PSTEP=   -0.2521812221E-04    0.2329704858E-04     9.595893187       -0.2427981377E-05
J1,K1,R1,R2,RAT= 113 113   -0.8005954096         253.9529214        0.1994045904    
FOB,PFOB,DIAG,PSTEP=   -0.1184962158E-01   -0.1177514368E-01     7.567453555        0.1229318804E-04
J1,K1,R1,R2,RAT= 114 114    0.9973033043        -474.9004135        0.2696695653E-02
FOB,PFOB,DIAG,PSTEP=    0.4455118009        0.4436445493         4.680751611        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002     -0.00001     -0.00000     -0.00002      0.00001      0.00002 
    -0.00001      0.00003     -0.00002      0.00001      0.00000      0.00002 
     0.00000      0.00001     -0.00000     -0.00002      0.00000      0.00003 
     0.00002      0.00003     -0.00003      0.00003     -0.00005     -0.00000 
     0.00003      0.00002      0.00002     -0.00001      0.00001     -0.00002 
    -0.00003      0.00003     -0.00002     -0.00000      0.00004     -0.00002 
    -0.00000     -0.00005      0.00004      0.00003     -0.00003      0.00001 
    -0.00003     -0.00002      0.00008     -0.00001     -0.00012      0.00007 
     0.00003     -0.00005      0.00004      0.00000     -0.00013      0.00005 
    -0.00008      0.00052     -0.00251     -0.00003     -0.01185      0.44551 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4377368642
 Log product of positive Hessian eigenvalues =          520.1943131216
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6807516111
 Unscaled step for mode    7=        0.0000000019
 Unscaled step for mode    8=        0.0000000037
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000044
 Unscaled step for mode   13=        0.0000000033
 Unscaled step for mode   14=        0.0000000107
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000072
 Unscaled step for mode   17=       -0.0000000064
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000267
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000172
 Unscaled step for mode   22=       -0.0000000068
 Unscaled step for mode   23=        0.0000000029
 Unscaled step for mode   24=       -0.0000000030
 Unscaled step for mode   25=        0.0000000393
 Unscaled step for mode   26=        0.0000000669
 Unscaled step for mode   27=        0.0000000347
 Unscaled step for mode   28=       -0.0000000042
 Unscaled step for mode   29=       -0.0000000011
 Unscaled step for mode   30=        0.0000000613
 Unscaled step for mode   31=        0.0000000205
 Unscaled step for mode   32=        0.0000000089
 Unscaled step for mode   33=       -0.0000000269
 Unscaled step for mode   34=       -0.0000000166
 Unscaled step for mode   35=       -0.0000000751
 Unscaled step for mode   36=       -0.0000000289
 Unscaled step for mode   37=        0.0000000419
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000602
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000749
 Unscaled step for mode   42=        0.0000000251
 Unscaled step for mode   43=       -0.0000000262
 Unscaled step for mode   44=        0.0000000524
 Unscaled step for mode   45=       -0.0000000137
 Unscaled step for mode   46=       -0.0000000608
 Unscaled step for mode   47=        0.0000001153
 Unscaled step for mode   48=       -0.0000000068
 Unscaled step for mode   49=        0.0000000759
 Unscaled step for mode   50=        0.0000000426
 Unscaled step for mode   51=        0.0000000533
 Unscaled step for mode   52=        0.0000000025
 Unscaled step for mode   53=        0.0000000504
 Unscaled step for mode   54=        0.0000000470
 Unscaled step for mode   55=       -0.0000000998
 Unscaled step for mode   56=        0.0000000335
 Unscaled step for mode   57=        0.0000000284
 Unscaled step for mode   58=        0.0000001028
 Unscaled step for mode   59=       -0.0000000401
 Unscaled step for mode   60=       -0.0000001072
 Unscaled step for mode   61=        0.0000000992
 Unscaled step for mode   62=       -0.0000002118
 Unscaled step for mode   63=        0.0000001490
 Unscaled step for mode   64=       -0.0000000781
 Unscaled step for mode   65=       -0.0000000010
 Unscaled step for mode   66=       -0.0000001790
 Unscaled step for mode   67=       -0.0000000201
 Unscaled step for mode   68=       -0.0000000585
 Unscaled step for mode   69=        0.0000000201
 Unscaled step for mode   70=        0.0000001384
 Unscaled step for mode   71=       -0.0000000209
 Unscaled step for mode   72=       -0.0000003169
 Unscaled step for mode   73=       -0.0000001618
 Unscaled step for mode   74=       -0.0000002852
 Unscaled step for mode   75=        0.0000003469
 Unscaled step for mode   76=       -0.0000002877
 Unscaled step for mode   77=        0.0000006007
 Unscaled step for mode   78=        0.0000000208
 Unscaled step for mode   79=       -0.0000003015
 Unscaled step for mode   80=       -0.0000001838
 Unscaled step for mode   81=       -0.0000001896
 Unscaled step for mode   82=        0.0000001526
 Unscaled step for mode   83=       -0.0000001539
 Unscaled step for mode   84=        0.0000003231
 Unscaled step for mode   85=        0.0000004877
 Unscaled step for mode   86=       -0.0000004551
 Unscaled step for mode   87=        0.0000003206
 Unscaled step for mode   88=        0.0000000161
 Unscaled step for mode   89=       -0.0000006649
 Unscaled step for mode   90=        0.0000003269
 Unscaled step for mode   91=        0.0000000127
 Unscaled step for mode   92=        0.0000008796
 Unscaled step for mode   93=       -0.0000007250
 Unscaled step for mode   94=       -0.0000005911
 Unscaled step for mode   95=        0.0000006670
 Unscaled step for mode   96=       -0.0000002307
 Unscaled step for mode   97=        0.0000007375
 Unscaled step for mode   98=        0.0000006194
 Unscaled step for mode   99=       -0.0000022055
 Unscaled step for mode  100=        0.0000003033
 Unscaled step for mode  101=        0.0000033301
 Unscaled step for mode  102=       -0.0000025326
 Unscaled step for mode  103=       -0.0000010530
 Unscaled step for mode  104=        0.0000016109
 Unscaled step for mode  105=       -0.0000017092
 Unscaled step for mode  106=       -0.0000000718
 Unscaled step for mode  107=        0.0000063613
 Unscaled step for mode  108=       -0.0000030222
 Unscaled step for mode  109=        0.0000055185
 Unscaled step for mode  110=       -0.0000420139
 Unscaled step for mode  111=        0.0002453267
 Unscaled step for mode  112=        0.0000026280
 Unscaled step for mode  113=        0.0015658626
 Unscaled step for mode  114=        0.0943325754
 Largest modulus ratio of non-zero e/values=           155.1628887    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.109721E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.684132E-15    0.100741E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.320490E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.103650E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.559033E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.317834E-15    0.973702E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.135349E-05    0.726279E+03  0.186359E-08 0.100000E-04    0.987119E+00
   8   -0.251393E-05    0.672317E+03  0.373921E-08 0.100000E-04    0.988312E+00
   9    0.704844E-06    0.625426E+03 -0.112698E-08 0.100000E-04    0.999528E+00
  10    0.162732E-05    0.604466E+03 -0.269216E-08 0.100000E-04    0.995173E+00
  11   -0.111425E-05    0.589266E+03  0.189091E-08 0.100000E-04    0.998951E+00
  12    0.251515E-05    0.566732E+03 -0.443799E-08 0.100000E-04    0.983680E+00
  13   -0.186900E-05    0.565519E+03  0.330493E-08 0.100000E-04    0.969503E+00
  14   -0.512446E-05    0.480210E+03  0.106713E-07 0.100000E-04    0.995535E+00
  15    0.184975E-05    0.467732E+03 -0.395473E-08 0.100000E-04    0.995589E+00
  16    0.331128E-05    0.462219E+03 -0.716387E-08 0.100000E-04    0.994943E+00
  17    0.281858E-05    0.441330E+03 -0.638656E-08 0.100000E-04    0.998444E+00
  18    0.447477E-05    0.430620E+03 -0.103915E-07 0.100000E-04    0.997960E+00
  19   -0.112414E-04    0.421208E+03  0.266884E-07 0.100000E-04    0.996573E+00
  20    0.896424E-05    0.406905E+03 -0.220303E-07 0.100000E-04    0.998506E+00
  21    0.683973E-05    0.397934E+03 -0.171881E-07 0.100000E-04    0.998944E+00
  22    0.262529E-05    0.388769E+03 -0.675284E-08 0.100000E-04    0.987378E+00
  23   -0.105456E-05    0.367257E+03  0.287146E-08 0.100000E-04    0.981149E+00
  24    0.109983E-05    0.362818E+03 -0.303136E-08 0.100000E-04    0.984411E+00
  25   -0.138304E-04    0.351714E+03  0.393228E-07 0.100000E-04    0.995981E+00
  26   -0.226911E-04    0.339308E+03  0.668747E-07 0.100000E-04    0.995703E+00
  27   -0.112594E-04    0.324825E+03  0.346631E-07 0.100000E-04    0.995157E+00
  28    0.136395E-05    0.321658E+03 -0.424038E-08 0.100000E-04    0.928164E+00
  29    0.348000E-06    0.319027E+03 -0.109082E-08 0.100000E-04    0.859609E+00
  30   -0.193659E-04    0.315834E+03  0.613169E-07 0.100000E-04    0.995344E+00
  31   -0.624882E-05    0.304944E+03  0.204917E-07 0.100000E-04    0.989191E+00
  32   -0.257372E-05    0.287750E+03  0.894432E-08 0.100000E-04    0.990176E+00
  33    0.750287E-05    0.279415E+03 -0.268520E-07 0.100000E-04    0.996700E+00
  34    0.450805E-05    0.270901E+03 -0.166410E-07 0.100000E-04    0.994654E+00
  35    0.199797E-04    0.265999E+03 -0.751120E-07 0.100000E-04    0.996304E+00
  36    0.761403E-05    0.263171E+03 -0.289319E-07 0.100000E-04    0.990209E+00
  37   -0.108303E-04    0.258326E+03  0.419250E-07 0.100000E-04    0.994536E+00
  38   -0.371946E-05    0.253632E+03  0.146648E-07 0.100000E-04    0.999620E+00
  39   -0.146212E-04    0.242869E+03  0.602021E-07 0.100000E-04    0.997306E+00
  40    0.994400E-05    0.238056E+03 -0.417717E-07 0.100000E-04    0.999865E+00
  41    0.176310E-04    0.235490E+03 -0.748691E-07 0.100000E-04    0.989080E+00
  42   -0.574240E-05    0.228704E+03  0.251084E-07 0.100000E-04    0.991769E+00
  43    0.583609E-05    0.222536E+03 -0.262254E-07 0.100000E-04    0.988587E+00
  44   -0.111632E-04    0.212922E+03  0.524287E-07 0.100000E-04    0.988126E+00
  45    0.289660E-05    0.211705E+03 -0.136822E-07 0.100000E-04    0.985052E+00
  46    0.126728E-04    0.208467E+03 -0.607905E-07 0.100000E-04    0.992700E+00
  47   -0.234355E-04    0.203244E+03  0.115307E-06 0.100000E-04    0.995457E+00
  48    0.134450E-05    0.198093E+03 -0.678722E-08 0.100000E-04    0.978747E+00
  49   -0.148445E-04    0.195516E+03  0.759250E-07 0.100000E-04    0.993267E+00
  50   -0.816696E-05    0.191606E+03  0.426237E-07 0.100000E-04    0.998081E+00
  51   -0.988110E-05    0.185469E+03  0.532762E-07 0.100000E-04    0.993163E+00
  52   -0.445950E-06    0.176553E+03  0.252587E-08 0.100000E-04    0.952606E+00
  53   -0.862576E-05    0.171147E+03  0.503997E-07 0.100000E-04    0.996226E+00
  54   -0.788677E-05    0.167782E+03  0.470060E-07 0.100000E-04    0.990041E+00
  55    0.165199E-04    0.165571E+03 -0.997754E-07 0.100000E-04    0.996748E+00
  56   -0.535454E-05    0.160027E+03  0.334603E-07 0.100000E-04    0.999674E+00
  57   -0.435447E-05    0.153519E+03  0.283643E-07 0.100000E-04    0.991994E+00
  58   -0.155152E-04    0.150960E+03  0.102777E-06 0.100000E-04    0.994890E+00
  59    0.597814E-05    0.149128E+03 -0.400874E-07 0.100000E-04    0.996599E+00
  60    0.153218E-04    0.142965E+03 -0.107172E-06 0.100000E-04    0.994906E+00
  61   -0.135822E-04    0.136958E+03  0.991710E-07 0.100000E-04    0.995306E+00
  62    0.286509E-04    0.135291E+03 -0.211772E-06 0.100000E-04    0.998393E+00
  63   -0.194926E-04    0.130866E+03  0.148951E-06 0.100000E-04    0.998881E+00
  64    0.997194E-05    0.127686E+03 -0.780973E-07 0.100000E-04    0.989011E+00
  65    0.127263E-06    0.126040E+03 -0.100970E-08 0.100000E-04    0.954205E+00
  66    0.224260E-04    0.125282E+03 -0.179005E-06 0.100000E-04    0.997721E+00
  67    0.240635E-05    0.119529E+03 -0.201319E-07 0.100000E-04    0.982248E+00
  68    0.690527E-05    0.117971E+03 -0.585334E-07 0.100000E-04    0.996670E+00
  69   -0.235145E-05    0.116768E+03  0.201377E-07 0.100000E-04    0.993423E+00
  70   -0.154738E-04    0.111804E+03  0.138400E-06 0.100000E-04    0.992036E+00
  71    0.228372E-05    0.109069E+03 -0.209382E-07 0.100000E-04    0.986654E+00
  72    0.333178E-04    0.105142E+03 -0.316883E-06 0.100000E-04    0.995612E+00
  73    0.166533E-04    0.102937E+03 -0.161781E-06 0.100000E-04    0.993412E+00
  74    0.285320E-04    0.100049E+03 -0.285180E-06 0.100000E-04    0.999545E+00
  75   -0.335789E-04    0.968027E+02  0.346879E-06 0.100000E-04    0.991974E+00
  76    0.273683E-04    0.951228E+02 -0.287716E-06 0.100000E-04    0.997291E+00
  77   -0.549723E-04    0.915147E+02  0.600694E-06 0.100000E-04    0.996274E+00
  78   -0.188324E-05    0.906418E+02  0.207767E-07 0.100000E-04    0.982253E+00
  79    0.269587E-04    0.894048E+02 -0.301536E-06 0.100000E-04    0.993043E+00
  80    0.155605E-04    0.846703E+02 -0.183777E-06 0.100000E-04    0.994758E+00
  81    0.153409E-04    0.809037E+02 -0.189620E-06 0.100000E-04    0.996618E+00
  82   -0.121271E-04    0.794872E+02  0.152567E-06 0.100000E-04    0.990985E+00
  83    0.120750E-04    0.784711E+02 -0.153878E-06 0.100000E-04    0.993516E+00
  84   -0.235066E-04    0.727620E+02  0.323061E-06 0.100000E-04    0.996222E+00
  85   -0.349734E-04    0.717142E+02  0.487678E-06 0.100000E-04    0.998224E+00
  86    0.311395E-04    0.684201E+02 -0.455122E-06 0.100000E-04    0.991034E+00
  87   -0.217406E-04    0.678099E+02  0.320611E-06 0.100000E-04    0.976660E+00
  88   -0.102326E-05    0.633880E+02  0.161429E-07 0.100000E-04    0.949918E+00
  89    0.407561E-04    0.612948E+02 -0.664919E-06 0.100000E-04    0.996788E+00
  90   -0.194985E-04    0.596554E+02  0.326852E-06 0.100000E-04    0.999517E+00
  91   -0.746597E-06    0.588938E+02  0.126770E-07 0.100000E-04    0.997477E+00
  92   -0.491842E-04    0.559153E+02  0.879620E-06 0.100000E-04    0.995927E+00
  93    0.386154E-04    0.532598E+02 -0.725039E-06 0.100000E-04    0.998433E+00
  94    0.308716E-04    0.522269E+02 -0.591105E-06 0.100000E-04    0.996675E+00
  95   -0.335076E-04    0.502369E+02  0.666991E-06 0.100000E-04    0.997406E+00
  96    0.110469E-04    0.478908E+02 -0.230669E-06 0.100000E-04    0.996384E+00
  97   -0.318332E-04    0.431628E+02  0.737515E-06 0.100000E-04    0.999152E+00
  98   -0.248426E-04    0.401101E+02  0.619360E-06 0.100000E-04    0.995440E+00
  99    0.816487E-04    0.370210E+02 -0.220547E-05 0.100000E-04    0.995646E+00
 100   -0.108753E-04    0.358506E+02  0.303349E-06 0.100000E-04    0.973128E+00
 101   -0.118492E-03    0.355823E+02  0.333010E-05 0.100000E-04    0.999417E+00
 102    0.731852E-04    0.288977E+02 -0.253256E-05 0.100000E-04    0.997497E+00
 103    0.302722E-04    0.287484E+02 -0.105301E-05 0.100000E-04    0.993499E+00
 104   -0.458517E-04    0.284641E+02  0.161086E-05 0.100000E-04    0.997633E+00
 105    0.392750E-04    0.229781E+02 -0.170924E-05 0.100000E-04    0.996075E+00
 106    0.157277E-05    0.218993E+02 -0.718180E-07 0.100000E-04    0.866411E+00
 107   -0.126290E-03    0.198529E+02  0.636130E-05 0.100000E-04    0.999554E+00
 108    0.508047E-04    0.168107E+02 -0.302217E-05 0.100000E-04    0.993962E+00
 109   -0.760088E-04    0.137734E+02  0.551852E-05 0.100000E-04    0.999118E+00
 110    0.518210E-03    0.123342E+02 -0.100000E-04 0.100000E-04    0.812592E+00
 111   -0.250907E-02    0.102274E+02  0.100000E-04 0.100000E-04    0.539546E+00
 112   -0.252181E-04    0.959589E+01  0.262801E-05 0.100000E-04    0.917546E+00
 113   -0.118496E-01    0.756745E+01  0.133996E-04 0.133996E-04    0.199405E+00
 114    0.445512E+00    0.468075E+01  0.400000E-03 0.400000E-03    0.269670E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9433257536E-01

 Beginning of optimization cycle  214.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3820541579
 potential> RMS force:                                               0.0419163683   |gradient|=.4475443440    
 Eigenvalues of the Hessian matrix:
   726.33943    672.32965    625.44067    604.46900    589.25869    566.76601 
   565.54085    480.23101    467.70943    462.21030    441.32986    430.61095 
   421.21501    406.91537    397.92975    388.77080    367.26081    362.80819 
   351.70656    339.27424    324.83251    321.65548    319.04106    315.80597 
   304.93793    287.75512    279.40992    270.89661    266.00436    263.18085 
   258.33458    253.63429    242.86223    238.04503    235.49917    228.70483 
   222.51649    212.92776    211.70947    208.45490    203.24721    198.08864 
   195.51517    191.60585    185.45953    176.53917    171.15285    167.77848 
   165.56857    160.01974    153.52081    150.96013    149.12879    142.96747 
   136.95809    135.29669    130.86391    127.68744    126.04156    125.28680 
   119.53062    117.97206    116.77113    111.79720    109.05832    105.13870 
   102.93843    100.04585     96.79600     95.12303     91.52522     90.63657 
    89.41366     84.67264     80.90394     79.49042     78.46921     72.76066 
    71.71788     68.41470     67.80554     63.38745     61.28489     59.65565 
    58.89607     55.91656     53.25546     52.22692     50.23567     47.88904 
    43.15911     40.11245     37.02204     35.84237     35.58884     28.89645 
    28.74794     28.45582     22.97591     21.89756     19.85696     16.81120 
    13.77320     12.33297     10.21606      9.59650      7.56603      4.67808 
overlap for current and previous eigenvector    109 is         0.9999990779
overlap for current and previous eigenvector    110 is         0.9999989666
overlap for current and previous eigenvector    111 is         0.9999757326
overlap for current and previous eigenvector    112 is        -0.9999774130
overlap for current and previous eigenvector    113 is         0.9999978701
overlap for current and previous eigenvector    114 is        -0.9999996131
J1,K1,R1,R2,RAT=   7   7   -0.1259370134E-01     2.012427155        0.9874062987    
FOB,PFOB,DIAG,PSTEP=   -0.1370536149E-05   -0.1353489289E-05     726.3394261        0.1863594292E-08
J1,K1,R1,R2,RAT=   8   8   -0.1186934089E-01     2.011831221        0.9881306591    
FOB,PFOB,DIAG,PSTEP=   -0.2543770614E-05   -0.2513931337E-05     672.3296542        0.3739206262E-08
J1,K1,R1,R2,RAT=   9   9    0.8156596458E-03     1.999137377        0.9991373775    
FOB,PFOB,DIAG,PSTEP=    0.7042694500E-06    0.7048443766E-06     625.4406711       -0.1126982878E-08
J1,K1,R1,R2,RAT=  10  10    0.4993046910E-02     1.994995658        0.9949956585    
FOB,PFOB,DIAG,PSTEP=    0.1619190698E-05    0.1627316009E-05     604.4690041       -0.2692156567E-08
J1,K1,R1,R2,RAT=  11  11    0.2042669136E-02     1.997980851        0.9979573309    
FOB,PFOB,DIAG,PSTEP=   -0.1111972984E-05   -0.1114248999E-05     589.2586912        0.1890911262E-08
J1,K1,R1,R2,RAT= 109 109   -0.1247191918E-02     2.001278591        0.9987528081    
FOB,PFOB,DIAG,PSTEP=   -0.7610359863E-04   -0.7600880256E-04     13.77319666        0.5518516230E-05
J1,K1,R1,R2,RAT= 110 110   -0.1880195732         8.591672028        0.8119804268    
FOB,PFOB,DIAG,PSTEP=    0.5413982578E-03    0.5182098648E-03     12.33296754       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4746855514         49.59472583        0.5253144486    
FOB,PFOB,DIAG,PSTEP=   -0.2557561022E-02   -0.2509066852E-02     10.21606187        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.081984485       -0.8211197635E-01    0.9178880237    
FOB,PFOB,DIAG,PSTEP=    0.2728896407E-04   -0.2521812221E-04     9.596504922        0.2628011975E-05
J1,K1,R1,R2,RAT= 113 113   -0.6574777648         234.4203085        0.3425222352    
FOB,PFOB,DIAG,PSTEP=   -0.1191627771E-01   -0.1184962158E-01     7.566028913        0.1339957496E-04
J1,K1,R1,R2,RAT= 114 114    -477.1666708        0.9972790988        0.2720901213E-02
FOB,PFOB,DIAG,PSTEP=   -0.4473779419        0.4455118009         4.678081042        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001      0.00000     -0.00002     -0.00001      0.00002 
    -0.00001     -0.00003      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002      0.00000     -0.00003 
    -0.00002      0.00003      0.00003      0.00003     -0.00006     -0.00000 
    -0.00003      0.00002     -0.00002     -0.00001     -0.00001     -0.00002 
     0.00004      0.00003      0.00002     -0.00000     -0.00004     -0.00002 
    -0.00000     -0.00005      0.00004      0.00003     -0.00003     -0.00001 
    -0.00003      0.00002      0.00008     -0.00001      0.00012     -0.00007 
    -0.00003      0.00005      0.00004     -0.00000      0.00013     -0.00005 
    -0.00008      0.00054     -0.00256      0.00003     -0.01192     -0.44738 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4376947224
 Log product of positive Hessian eigenvalues =          520.1915720551
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6780810425
 Unscaled step for mode    7=        0.0000000019
 Unscaled step for mode    8=        0.0000000038
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000044
 Unscaled step for mode   13=        0.0000000034
 Unscaled step for mode   14=        0.0000000106
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000072
 Unscaled step for mode   17=       -0.0000000064
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000268
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000172
 Unscaled step for mode   22=       -0.0000000068
 Unscaled step for mode   23=        0.0000000028
 Unscaled step for mode   24=       -0.0000000030
 Unscaled step for mode   25=        0.0000000395
 Unscaled step for mode   26=        0.0000000672
 Unscaled step for mode   27=        0.0000000348
 Unscaled step for mode   28=       -0.0000000045
 Unscaled step for mode   29=       -0.0000000012
 Unscaled step for mode   30=        0.0000000616
 Unscaled step for mode   31=        0.0000000207
 Unscaled step for mode   32=        0.0000000090
 Unscaled step for mode   33=       -0.0000000269
 Unscaled step for mode   34=       -0.0000000167
 Unscaled step for mode   35=       -0.0000000754
 Unscaled step for mode   36=       -0.0000000292
 Unscaled step for mode   37=        0.0000000422
 Unscaled step for mode   38=        0.0000000147
 Unscaled step for mode   39=        0.0000000604
 Unscaled step for mode   40=       -0.0000000418
 Unscaled step for mode   41=       -0.0000000757
 Unscaled step for mode   42=        0.0000000253
 Unscaled step for mode   43=       -0.0000000265
 Unscaled step for mode   44=        0.0000000531
 Unscaled step for mode   45=       -0.0000000135
 Unscaled step for mode   46=       -0.0000000612
 Unscaled step for mode   47=        0.0000001158
 Unscaled step for mode   48=       -0.0000000069
 Unscaled step for mode   49=        0.0000000764
 Unscaled step for mode   50=        0.0000000425
 Unscaled step for mode   51=        0.0000000536
 Unscaled step for mode   52=        0.0000000026
 Unscaled step for mode   53=        0.0000000506
 Unscaled step for mode   54=       -0.0000000475
 Unscaled step for mode   55=        0.0000001001
 Unscaled step for mode   56=        0.0000000335
 Unscaled step for mode   57=       -0.0000000286
 Unscaled step for mode   58=        0.0000001033
 Unscaled step for mode   59=        0.0000000399
 Unscaled step for mode   60=       -0.0000001077
 Unscaled step for mode   61=        0.0000000996
 Unscaled step for mode   62=        0.0000002121
 Unscaled step for mode   63=       -0.0000001491
 Unscaled step for mode   64=        0.0000000789
 Unscaled step for mode   65=        0.0000000011
 Unscaled step for mode   66=       -0.0000001794
 Unscaled step for mode   67=        0.0000000205
 Unscaled step for mode   68=       -0.0000000587
 Unscaled step for mode   69=        0.0000000203
 Unscaled step for mode   70=        0.0000001396
 Unscaled step for mode   71=       -0.0000000212
 Unscaled step for mode   72=        0.0000003182
 Unscaled step for mode   73=        0.0000001628
 Unscaled step for mode   74=       -0.0000002853
 Unscaled step for mode   75=       -0.0000003497
 Unscaled step for mode   76=       -0.0000002885
 Unscaled step for mode   77=        0.0000006028
 Unscaled step for mode   78=        0.0000000204
 Unscaled step for mode   79=        0.0000002994
 Unscaled step for mode   80=       -0.0000001847
 Unscaled step for mode   81=        0.0000001903
 Unscaled step for mode   82=        0.0000001512
 Unscaled step for mode   83=        0.0000001549
 Unscaled step for mode   84=        0.0000003243
 Unscaled step for mode   85=       -0.0000004884
 Unscaled step for mode   86=       -0.0000004509
 Unscaled step for mode   87=       -0.0000003278
 Unscaled step for mode   88=        0.0000000152
 Unscaled step for mode   89=        0.0000006669
 Unscaled step for mode   90=        0.0000003269
 Unscaled step for mode   91=        0.0000000127
 Unscaled step for mode   92=        0.0000008832
 Unscaled step for mode   93=       -0.0000007239
 Unscaled step for mode   94=       -0.0000005931
 Unscaled step for mode   95=        0.0000006653
 Unscaled step for mode   96=        0.0000002316
 Unscaled step for mode   97=        0.0000007378
 Unscaled step for mode   98=       -0.0000006222
 Unscaled step for mode   99=       -0.0000022144
 Unscaled step for mode  100=        0.0000002961
 Unscaled step for mode  101=       -0.0000033282
 Unscaled step for mode  102=        0.0000025388
 Unscaled step for mode  103=        0.0000010458
 Unscaled step for mode  104=       -0.0000016151
 Unscaled step for mode  105=       -0.0000017146
 Unscaled step for mode  106=        0.0000000593
 Unscaled step for mode  107=       -0.0000063579
 Unscaled step for mode  108=        0.0000030059
 Unscaled step for mode  109=        0.0000055255
 Unscaled step for mode  110=       -0.0000438985
 Unscaled step for mode  111=        0.0002503470
 Unscaled step for mode  112=       -0.0000028436
 Unscaled step for mode  113=        0.0015749673
 Unscaled step for mode  114=       -0.0947738091
 Largest modulus ratio of non-zero e/values=           155.2643957    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.510009E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.647486E-15    0.100741E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.107193E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.798840E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.388090E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.322550E-17    0.973703E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.137054E-05    0.726339E+03  0.188691E-08 0.100000E-04    0.987406E+00
   8   -0.254377E-05    0.672330E+03  0.378352E-08 0.100000E-04    0.988131E+00
   9    0.704269E-06    0.625441E+03 -0.112604E-08 0.100000E-04    0.999137E+00
  10    0.161919E-05    0.604469E+03 -0.267870E-08 0.100000E-04    0.994996E+00
  11   -0.111197E-05    0.589259E+03  0.188707E-08 0.100000E-04    0.997957E+00
  12    0.247253E-05    0.566766E+03 -0.436252E-08 0.100000E-04    0.982935E+00
  13   -0.192318E-05    0.565541E+03  0.340061E-08 0.100000E-04    0.971012E+00
  14   -0.510164E-05    0.480231E+03  0.106233E-07 0.100000E-04    0.995459E+00
  15    0.185859E-05    0.467709E+03 -0.397382E-08 0.100000E-04    0.995221E+00
  16    0.332766E-05    0.462210E+03 -0.719946E-08 0.100000E-04    0.995051E+00
  17    0.282140E-05    0.441330E+03 -0.639294E-08 0.100000E-04    0.999001E+00
  18    0.448219E-05    0.430611E+03 -0.104089E-07 0.100000E-04    0.998342E+00
  19   -0.112795E-04    0.421215E+03  0.267786E-07 0.100000E-04    0.996606E+00
  20    0.894814E-05    0.406915E+03 -0.219902E-07 0.100000E-04    0.998153E+00
  21    0.684564E-05    0.397930E+03 -0.172031E-07 0.100000E-04    0.999136E+00
  22    0.265889E-05    0.388771E+03 -0.683921E-08 0.100000E-04    0.987203E+00
  23   -0.103303E-05    0.367261E+03  0.281280E-08 0.100000E-04    0.979561E+00
  24    0.108002E-05    0.362808E+03 -0.297684E-08 0.100000E-04    0.981989E+00
  25   -0.138867E-04    0.351707E+03  0.394837E-07 0.100000E-04    0.995931E+00
  26   -0.227872E-04    0.339274E+03  0.671646E-07 0.100000E-04    0.995765E+00
  27   -0.113120E-04    0.324833E+03  0.348241E-07 0.100000E-04    0.995332E+00
  28    0.145320E-05    0.321655E+03 -0.451787E-08 0.100000E-04    0.934568E+00
  29    0.389570E-06    0.319041E+03 -0.122107E-08 0.100000E-04    0.880552E+00
  30   -0.194580E-04    0.315806E+03  0.616138E-07 0.100000E-04    0.995246E+00
  31   -0.631630E-05    0.304938E+03  0.207134E-07 0.100000E-04    0.989202E+00
  32   -0.260112E-05    0.287755E+03  0.903935E-08 0.100000E-04    0.989356E+00
  33    0.752775E-05    0.279410E+03 -0.269416E-07 0.100000E-04    0.996684E+00
  34    0.452972E-05    0.270897E+03 -0.167212E-07 0.100000E-04    0.995192E+00
  35    0.200567E-04    0.266004E+03 -0.753999E-07 0.100000E-04    0.996148E+00
  36    0.768957E-05    0.263181E+03 -0.292178E-07 0.100000E-04    0.990079E+00
  37   -0.108896E-04    0.258335E+03  0.421529E-07 0.100000E-04    0.994533E+00
  38   -0.372126E-05    0.253634E+03  0.146718E-07 0.100000E-04    0.999515E+00
  39   -0.146597E-04    0.242862E+03  0.603623E-07 0.100000E-04    0.997367E+00
  40    0.994051E-05    0.238045E+03 -0.417589E-07 0.100000E-04    0.999649E+00
  41    0.178259E-04    0.235499E+03 -0.756939E-07 0.100000E-04    0.988947E+00
  42   -0.579409E-05    0.228705E+03  0.253344E-07 0.100000E-04    0.990998E+00
  43    0.590444E-05    0.222516E+03 -0.265348E-07 0.100000E-04    0.988288E+00
  44   -0.112985E-04    0.212928E+03  0.530625E-07 0.100000E-04    0.987884E+00
  45    0.285161E-05    0.211709E+03 -0.134695E-07 0.100000E-04    0.984426E+00
  46    0.127658E-04    0.208455E+03 -0.612402E-07 0.100000E-04    0.992663E+00
  47   -0.235430E-04    0.203247E+03  0.115835E-06 0.100000E-04    0.995410E+00
  48    0.137359E-05    0.198089E+03 -0.693422E-08 0.100000E-04    0.978361E+00
  49   -0.149446E-04    0.195515E+03  0.764370E-07 0.100000E-04    0.993258E+00
  50   -0.814536E-05    0.191606E+03  0.425110E-07 0.100000E-04    0.997355E+00
  51   -0.994833E-05    0.185460E+03  0.536415E-07 0.100000E-04    0.993196E+00
  52   -0.466321E-06    0.176539E+03  0.264146E-08 0.100000E-04    0.954315E+00
  53   -0.865700E-05    0.171153E+03  0.505805E-07 0.100000E-04    0.996379E+00
  54    0.796399E-05    0.167778E+03 -0.474673E-07 0.100000E-04    0.990209E+00
  55   -0.165770E-04    0.165569E+03  0.100121E-06 0.100000E-04    0.996547E+00
  56   -0.535787E-05    0.160020E+03  0.334826E-07 0.100000E-04    0.999379E+00
  57    0.438688E-05    0.153521E+03 -0.285752E-07 0.100000E-04    0.992555E+00
  58   -0.155940E-04    0.150960E+03  0.103299E-06 0.100000E-04    0.994920E+00
  59   -0.595737E-05    0.149129E+03  0.399478E-07 0.100000E-04    0.996510E+00
  60    0.153983E-04    0.142967E+03 -0.107705E-06 0.100000E-04    0.995006E+00
  61   -0.136431E-04    0.136958E+03  0.996150E-07 0.100000E-04    0.995520E+00
  62   -0.286969E-04    0.135297E+03  0.212104E-06 0.100000E-04    0.998394E+00
  63    0.195093E-04    0.130864E+03 -0.149081E-06 0.100000E-04    0.999142E+00
  64   -0.100782E-04    0.127687E+03  0.789290E-07 0.100000E-04    0.989341E+00
  65   -0.133009E-06    0.126042E+03  0.105528E-08 0.100000E-04    0.954847E+00
  66    0.224774E-04    0.125287E+03 -0.179408E-06 0.100000E-04    0.997708E+00
  67   -0.245134E-05    0.119531E+03  0.205080E-07 0.100000E-04    0.981305E+00
  68    0.693035E-05    0.117972E+03 -0.587457E-07 0.100000E-04    0.996368E+00
  69   -0.236596E-05    0.116771E+03  0.202615E-07 0.100000E-04    0.993831E+00
  70   -0.156020E-04    0.111797E+03  0.139556E-06 0.100000E-04    0.991714E+00
  71    0.231501E-05    0.109058E+03 -0.212273E-07 0.100000E-04    0.986295E+00
  72   -0.334592E-04    0.105139E+03  0.318238E-06 0.100000E-04    0.995757E+00
  73   -0.167626E-04    0.102938E+03  0.162841E-06 0.100000E-04    0.993434E+00
  74    0.285445E-04    0.100046E+03 -0.285314E-06 0.100000E-04    0.999561E+00
  75    0.338469E-04    0.967960E+02 -0.349672E-06 0.100000E-04    0.992018E+00
  76    0.274410E-04    0.951230E+02 -0.288479E-06 0.100000E-04    0.997343E+00
  77   -0.551718E-04    0.915252E+02  0.602804E-06 0.100000E-04    0.996372E+00
  78   -0.184895E-05    0.906366E+02  0.203996E-07 0.100000E-04    0.981792E+00
  79   -0.267733E-04    0.894137E+02  0.299432E-06 0.100000E-04    0.992923E+00
  80    0.156406E-04    0.846726E+02 -0.184719E-06 0.100000E-04    0.994851E+00
  81   -0.153938E-04    0.809039E+02  0.190272E-06 0.100000E-04    0.996556E+00
  82   -0.120160E-04    0.794904E+02  0.151163E-06 0.100000E-04    0.990758E+00
  83   -0.121538E-04    0.784692E+02  0.154886E-06 0.100000E-04    0.993474E+00
  84   -0.235930E-04    0.727607E+02  0.324254E-06 0.100000E-04    0.996325E+00
  85    0.350264E-04    0.717179E+02 -0.488391E-06 0.100000E-04    0.998485E+00
  86    0.308456E-04    0.684147E+02 -0.450862E-06 0.100000E-04    0.990562E+00
  87    0.222293E-04    0.678055E+02 -0.327839E-06 0.100000E-04    0.977520E+00
  88   -0.961565E-06    0.633874E+02  0.151697E-07 0.100000E-04    0.939704E+00
  89   -0.408725E-04    0.612849E+02  0.666926E-06 0.100000E-04    0.997145E+00
  90   -0.195012E-04    0.596556E+02  0.326897E-06 0.100000E-04    0.999860E+00
  91   -0.745283E-06    0.588961E+02  0.126542E-07 0.100000E-04    0.998164E+00
  92   -0.493844E-04    0.559166E+02  0.883180E-06 0.100000E-04    0.995931E+00
  93    0.385529E-04    0.532555E+02 -0.723924E-06 0.100000E-04    0.998381E+00
  94    0.309770E-04    0.522269E+02 -0.593123E-06 0.100000E-04    0.996586E+00
  95   -0.334207E-04    0.502357E+02  0.665279E-06 0.100000E-04    0.997407E+00
  96   -0.110904E-04    0.478890E+02  0.231585E-06 0.100000E-04    0.996066E+00
  97   -0.318433E-04    0.431591E+02  0.737812E-06 0.100000E-04    0.999682E+00
  98    0.249580E-04    0.401124E+02 -0.622201E-06 0.100000E-04    0.995355E+00
  99    0.819802E-04    0.370220E+02 -0.221436E-05 0.100000E-04    0.995940E+00
 100   -0.106128E-04    0.358424E+02  0.296096E-06 0.100000E-04    0.975860E+00
 101    0.118447E-03    0.355888E+02 -0.332821E-05 0.100000E-04    0.999250E+00
 102   -0.733621E-04    0.288965E+02  0.253879E-05 0.100000E-04    0.997583E+00
 103   -0.300657E-04    0.287479E+02  0.104584E-05 0.100000E-04    0.993178E+00
 104    0.459593E-04    0.284558E+02 -0.161511E-05 0.100000E-04    0.997651E+00
 105    0.393940E-04    0.229759E+02 -0.171458E-05 0.100000E-04    0.996970E+00
 106   -0.129902E-05    0.218976E+02  0.593224E-07 0.100000E-04    0.825928E+00
 107    0.126248E-03    0.198570E+02 -0.635789E-05 0.100000E-04    0.999259E+00
 108   -0.505332E-04    0.168112E+02  0.300592E-05 0.100000E-04    0.994592E+00
 109   -0.761036E-04    0.137732E+02  0.552549E-05 0.100000E-04    0.998753E+00
 110    0.541398E-03    0.123330E+02 -0.100000E-04 0.100000E-04    0.811980E+00
 111   -0.255756E-02    0.102161E+02  0.100000E-04 0.100000E-04    0.525314E+00
 112    0.272890E-04    0.959650E+01 -0.284364E-05 0.100000E-04    0.917888E+00
 113   -0.119163E-01    0.756603E+01  0.120717E-04 0.120717E-04    0.342522E+00
 114   -0.447378E+00    0.467808E+01 -0.400000E-03 0.400000E-03    0.272090E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9477380911E-01

 Beginning of optimization cycle  215.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3818750071
 potential> RMS force:                                               0.0420912006   |gradient|=.4494110421    
 Eigenvalues of the Hessian matrix:
   726.39995    672.34257    625.45536    604.47217    589.25184    566.80037 
   565.56295    480.25223    467.68651    462.20126    441.32948    430.60210 
   421.22171    406.92578    397.92563    388.77299    367.26486    362.79853 
   351.69887    339.24065    324.83967    321.65261    319.05509    315.77828 
   304.93228    287.76064    279.40446    270.89256    266.00953    263.19094 
   258.34285    253.63702    242.85538    238.03412    235.50767    228.70521 
   222.49670    212.93350    211.71404    208.44255    203.25050    198.08468 
   195.51469    191.60563    185.44955    176.52547    171.15851    167.77475 
   165.56613    160.01268    153.52256    150.96037    149.12987    142.97042 
   136.95861    135.30208    130.86230    127.68873    126.04280    125.29186 
   119.53215    117.97269    116.77384    111.78998    109.04731    105.13515 
   102.93998    100.04250     96.78925     95.12322     91.53574     90.63133 
    89.42250     84.67499     80.90418     79.49363     78.46731     72.75939 
    71.72165     68.40953     67.80099     63.38690     61.27497     59.65585 
    58.89835     55.91785     53.25115     52.22695     50.23440     47.88726 
    43.15545     40.11476     37.02315     35.83414     35.59543     28.89523 
    28.74751     28.44759     22.97373     21.89571     19.86106     16.81173 
    13.77299     12.33169     10.20475      9.59706      7.56459      4.67539 
overlap for current and previous eigenvector    109 is        -0.9999990887
overlap for current and previous eigenvector    110 is         0.9999989775
overlap for current and previous eigenvector    111 is         0.9999741094
overlap for current and previous eigenvector    112 is         0.9999757506
overlap for current and previous eigenvector    113 is         0.9999978423
overlap for current and previous eigenvector    114 is         0.9999996154
J1,K1,R1,R2,RAT=   7   7   -0.1475264029E-01     2.014585990        0.9852473597    
FOB,PFOB,DIAG,PSTEP=   -0.1390756861E-05   -0.1370536149E-05     726.3999536        0.1886908654E-08
J1,K1,R1,R2,RAT=   8   8   -0.9967271594E-03     2.000958308        0.9990032728    
FOB,PFOB,DIAG,PSTEP=   -0.2546306108E-05   -0.2543770614E-05     672.3425696        0.3783516907E-08
J1,K1,R1,R2,RAT=   9   9    0.1122899252E-01     1.988724049        0.9887240492    
FOB,PFOB,DIAG,PSTEP=    0.6963610279E-06    0.7042694500E-06     625.4553563       -0.1126037181E-08
J1,K1,R1,R2,RAT=  10  10   -0.9061114295E-02     2.009050634        0.9909388857    
FOB,PFOB,DIAG,PSTEP=    0.1633862447E-05    0.1619190698E-05     604.4721717       -0.2678699300E-08
J1,K1,R1,R2,RAT=  11  11   -0.3488366989E-02     2.003511635        0.9965116330    
FOB,PFOB,DIAG,PSTEP=   -0.1115851909E-05   -0.1111972984E-05     589.2518358        0.1887070994E-08
J1,K1,R1,R2,RAT= 109 109     1.999940893        0.8919291431E-04    0.9999108071    
FOB,PFOB,DIAG,PSTEP=    0.7609681083E-04   -0.7610359863E-04     13.77298947        0.5525485516E-05
J1,K1,R1,R2,RAT= 110 110   -0.1977877961         8.978386794        0.8022122039    
FOB,PFOB,DIAG,PSTEP=    0.5657888416E-03    0.5413982578E-03     12.33169304       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4697597982         50.59466212        0.5302402018    
FOB,PFOB,DIAG,PSTEP=   -0.2605498845E-02   -0.2557561022E-02     10.20475214        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.3658211418E-01     2.036467475        0.9634178858    
FOB,PFOB,DIAG,PSTEP=    0.2828730930E-04    0.2728896407E-04     9.597055024       -0.2843635708E-05
J1,K1,R1,R2,RAT= 113 113   -0.8345609825         261.8205344        0.1654390175    
FOB,PFOB,DIAG,PSTEP=   -0.1199248763E-01   -0.1191627771E-01     7.564590110        0.1207168915E-04
J1,K1,R1,R2,RAT= 114 114    0.9972724782        -479.4363433        0.2727521789E-02
FOB,PFOB,DIAG,PSTEP=   -0.4492429974       -0.4473779419         4.675390965       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001      0.00001 
     0.00002     -0.00001     -0.00000      0.00002      0.00001     -0.00002 
    -0.00001      0.00003     -0.00002      0.00001     -0.00000      0.00002 
     0.00000     -0.00001     -0.00000     -0.00002     -0.00000     -0.00003 
    -0.00002      0.00003      0.00003     -0.00003     -0.00006     -0.00000 
    -0.00003     -0.00002     -0.00002      0.00001      0.00001      0.00002 
    -0.00004      0.00003      0.00002     -0.00000      0.00004     -0.00002 
    -0.00000      0.00005      0.00004      0.00003     -0.00003     -0.00001 
    -0.00003      0.00003      0.00008     -0.00001     -0.00012     -0.00007 
     0.00003      0.00005      0.00004     -0.00000      0.00013      0.00005 
     0.00008      0.00057     -0.00261      0.00003     -0.01199     -0.44924 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4376486535
 Log product of positive Hessian eigenvalues =          520.1888315310
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6753909655
 Unscaled step for mode    7=        0.0000000019
 Unscaled step for mode    8=        0.0000000038
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000043
 Unscaled step for mode   13=        0.0000000034
 Unscaled step for mode   14=        0.0000000106
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000073
 Unscaled step for mode   17=       -0.0000000065
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000269
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000173
 Unscaled step for mode   22=       -0.0000000069
 Unscaled step for mode   23=        0.0000000028
 Unscaled step for mode   24=       -0.0000000029
 Unscaled step for mode   25=        0.0000000396
 Unscaled step for mode   26=        0.0000000675
 Unscaled step for mode   27=        0.0000000350
 Unscaled step for mode   28=       -0.0000000048
 Unscaled step for mode   29=       -0.0000000014
 Unscaled step for mode   30=        0.0000000618
 Unscaled step for mode   31=        0.0000000208
 Unscaled step for mode   32=        0.0000000092
 Unscaled step for mode   33=       -0.0000000271
 Unscaled step for mode   34=       -0.0000000169
 Unscaled step for mode   35=       -0.0000000755
 Unscaled step for mode   36=       -0.0000000295
 Unscaled step for mode   37=        0.0000000424
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000606
 Unscaled step for mode   40=       -0.0000000416
 Unscaled step for mode   41=       -0.0000000765
 Unscaled step for mode   42=        0.0000000255
 Unscaled step for mode   43=       -0.0000000267
 Unscaled step for mode   44=        0.0000000534
 Unscaled step for mode   45=       -0.0000000135
 Unscaled step for mode   46=       -0.0000000615
 Unscaled step for mode   47=        0.0000001161
 Unscaled step for mode   48=       -0.0000000071
 Unscaled step for mode   49=        0.0000000767
 Unscaled step for mode   50=        0.0000000429
 Unscaled step for mode   51=        0.0000000538
 Unscaled step for mode   52=       -0.0000000027
 Unscaled step for mode   53=        0.0000000508
 Unscaled step for mode   54=       -0.0000000478
 Unscaled step for mode   55=       -0.0000001004
 Unscaled step for mode   56=        0.0000000336
 Unscaled step for mode   57=        0.0000000288
 Unscaled step for mode   58=       -0.0000001039
 Unscaled step for mode   59=       -0.0000000396
 Unscaled step for mode   60=        0.0000001079
 Unscaled step for mode   61=        0.0000001005
 Unscaled step for mode   62=       -0.0000002127
 Unscaled step for mode   63=        0.0000001498
 Unscaled step for mode   64=       -0.0000000797
 Unscaled step for mode   65=        0.0000000014
 Unscaled step for mode   66=       -0.0000001802
 Unscaled step for mode   67=       -0.0000000205
 Unscaled step for mode   68=        0.0000000591
 Unscaled step for mode   69=        0.0000000206
 Unscaled step for mode   70=        0.0000001401
 Unscaled step for mode   71=        0.0000000215
 Unscaled step for mode   72=        0.0000003204
 Unscaled step for mode   73=        0.0000001638
 Unscaled step for mode   74=       -0.0000002862
 Unscaled step for mode   75=       -0.0000003522
 Unscaled step for mode   76=        0.0000002890
 Unscaled step for mode   77=        0.0000006044
 Unscaled step for mode   78=        0.0000000203
 Unscaled step for mode   79=        0.0000002983
 Unscaled step for mode   80=        0.0000001854
 Unscaled step for mode   81=        0.0000001911
 Unscaled step for mode   82=       -0.0000001506
 Unscaled step for mode   83=       -0.0000001549
 Unscaled step for mode   84=       -0.0000003267
 Unscaled step for mode   85=        0.0000004911
 Unscaled step for mode   86=       -0.0000004471
 Unscaled step for mode   87=       -0.0000003349
 Unscaled step for mode   88=        0.0000000153
 Unscaled step for mode   89=       -0.0000006701
 Unscaled step for mode   90=        0.0000003297
 Unscaled step for mode   91=        0.0000000128
 Unscaled step for mode   92=       -0.0000008856
 Unscaled step for mode   93=       -0.0000007253
 Unscaled step for mode   94=       -0.0000005971
 Unscaled step for mode   95=        0.0000006657
 Unscaled step for mode   96=        0.0000002306
 Unscaled step for mode   97=        0.0000007425
 Unscaled step for mode   98=       -0.0000006258
 Unscaled step for mode   99=       -0.0000022333
 Unscaled step for mode  100=        0.0000002845
 Unscaled step for mode  101=        0.0000033294
 Unscaled step for mode  102=        0.0000025532
 Unscaled step for mode  103=       -0.0000010432
 Unscaled step for mode  104=       -0.0000016318
 Unscaled step for mode  105=       -0.0000017235
 Unscaled step for mode  106=        0.0000000813
 Unscaled step for mode  107=       -0.0000063640
 Unscaled step for mode  108=       -0.0000029648
 Unscaled step for mode  109=       -0.0000055251
 Unscaled step for mode  110=       -0.0000458809
 Unscaled step for mode  111=        0.0002553221
 Unscaled step for mode  112=       -0.0000029475
 Unscaled step for mode  113=        0.0015853413
 Unscaled step for mode  114=       -0.0952155999
 Largest modulus ratio of non-zero e/values=           155.3666761    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.902056E-16    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.263678E-15    0.100740E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.981420E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.751547E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.173039E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.126825E-15    0.973705E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.139076E-05    0.726400E+03  0.191459E-08 0.100000E-04    0.985247E+00
   8   -0.254631E-05    0.672343E+03  0.378722E-08 0.100000E-04    0.999003E+00
   9    0.696361E-06    0.625455E+03 -0.111337E-08 0.100000E-04    0.988724E+00
  10    0.163386E-05    0.604472E+03 -0.270296E-08 0.100000E-04    0.990939E+00
  11   -0.111585E-05    0.589252E+03  0.189368E-08 0.100000E-04    0.996512E+00
  12    0.244240E-05    0.566800E+03 -0.430910E-08 0.100000E-04    0.987694E+00
  13   -0.194712E-05    0.565563E+03  0.344280E-08 0.100000E-04    0.987553E+00
  14   -0.509312E-05    0.480252E+03  0.106051E-07 0.100000E-04    0.998243E+00
  15    0.184783E-05    0.467687E+03 -0.395101E-08 0.100000E-04    0.994209E+00
  16    0.335655E-05    0.462201E+03 -0.726210E-08 0.100000E-04    0.991319E+00
  17    0.285011E-05    0.441329E+03 -0.645800E-08 0.100000E-04    0.989825E+00
  18    0.448586E-05    0.430602E+03 -0.104176E-07 0.100000E-04    0.999181E+00
  19   -0.113324E-04    0.421222E+03  0.269037E-07 0.100000E-04    0.995312E+00
  20    0.895868E-05    0.406926E+03 -0.220155E-07 0.100000E-04    0.998822E+00
  21    0.686666E-05    0.397926E+03 -0.172561E-07 0.100000E-04    0.996929E+00
  22    0.269807E-05    0.388773E+03 -0.693996E-08 0.100000E-04    0.985264E+00
  23   -0.102962E-05    0.367265E+03  0.280348E-08 0.100000E-04    0.996673E+00
  24    0.106140E-05    0.362799E+03 -0.292560E-08 0.100000E-04    0.982760E+00
  25   -0.139418E-04    0.351699E+03  0.396412E-07 0.100000E-04    0.996033E+00
  26   -0.228954E-04    0.339241E+03  0.674902E-07 0.100000E-04    0.995251E+00
  27   -0.113559E-04    0.324840E+03  0.349586E-07 0.100000E-04    0.996116E+00
  28    0.155213E-05    0.321653E+03 -0.482547E-08 0.100000E-04    0.931924E+00
  29    0.455530E-06    0.319055E+03 -0.142775E-08 0.100000E-04    0.830694E+00
  30   -0.195123E-04    0.315778E+03  0.617910E-07 0.100000E-04    0.997211E+00
  31   -0.635472E-05    0.304932E+03  0.208398E-07 0.100000E-04    0.993917E+00
  32   -0.263468E-05    0.287761E+03  0.915581E-08 0.100000E-04    0.987097E+00
  33    0.757778E-05    0.279404E+03 -0.271212E-07 0.100000E-04    0.993354E+00
  34    0.457644E-05    0.270893E+03 -0.168939E-07 0.100000E-04    0.989686E+00
  35    0.200959E-04    0.266010E+03 -0.755458E-07 0.100000E-04    0.998046E+00
  36    0.776196E-05    0.263191E+03 -0.294918E-07 0.100000E-04    0.990586E+00
  37   -0.109493E-04    0.258343E+03  0.423827E-07 0.100000E-04    0.994515E+00
  38   -0.370971E-05    0.253637E+03  0.146261E-07 0.100000E-04    0.996875E+00
  39   -0.147145E-04    0.242855E+03  0.605897E-07 0.100000E-04    0.996262E+00
  40    0.991346E-05    0.238034E+03 -0.416472E-07 0.100000E-04    0.997279E+00
  41    0.180082E-04    0.235508E+03 -0.764656E-07 0.100000E-04    0.989769E+00
  42   -0.582547E-05    0.228705E+03  0.254715E-07 0.100000E-04    0.994584E+00
  43    0.594497E-05    0.222497E+03 -0.267194E-07 0.100000E-04    0.993134E+00
  44   -0.113615E-04    0.212933E+03  0.533569E-07 0.100000E-04    0.994426E+00
  45    0.286242E-05    0.211714E+03 -0.135202E-07 0.100000E-04    0.996211E+00
  46    0.128291E-04    0.208443E+03 -0.615472E-07 0.100000E-04    0.995045E+00
  47   -0.236060E-04    0.203251E+03  0.116142E-06 0.100000E-04    0.997325E+00
  48    0.139862E-05    0.198085E+03 -0.706074E-08 0.100000E-04    0.981775E+00
  49   -0.150014E-04    0.195515E+03  0.767276E-07 0.100000E-04    0.996201E+00
  50   -0.821468E-05    0.191606E+03  0.428728E-07 0.100000E-04    0.991490E+00
  51   -0.997987E-05    0.185450E+03  0.538145E-07 0.100000E-04    0.996829E+00
  52    0.471693E-06    0.176525E+03 -0.267210E-08 0.100000E-04    0.988479E+00
  53   -0.868779E-05    0.171159E+03  0.507587E-07 0.100000E-04    0.996443E+00
  54    0.801273E-05    0.167775E+03 -0.477588E-07 0.100000E-04    0.993880E+00
  55    0.166163E-04    0.165566E+03 -0.100360E-06 0.100000E-04    0.997627E+00
  56   -0.538401E-05    0.160013E+03  0.336474E-07 0.100000E-04    0.995122E+00
  57   -0.442337E-05    0.153523E+03  0.288125E-07 0.100000E-04    0.991683E+00
  58    0.156835E-04    0.150960E+03 -0.103891E-06 0.100000E-04    0.994263E+00
  59    0.589822E-05    0.149130E+03 -0.395509E-07 0.100000E-04    0.990056E+00
  60   -0.154328E-04    0.142970E+03  0.107944E-06 0.100000E-04    0.997756E+00
  61   -0.137603E-04    0.136959E+03  0.100470E-06 0.100000E-04    0.991411E+00
  62    0.287816E-04    0.135302E+03 -0.212721E-06 0.100000E-04    0.997051E+00
  63   -0.196050E-04    0.130862E+03  0.149814E-06 0.100000E-04    0.995094E+00
  64    0.101745E-04    0.127689E+03 -0.796820E-07 0.100000E-04    0.990449E+00
  65   -0.172560E-06    0.126043E+03  0.136906E-08 0.100000E-04    0.702652E+00
  66    0.225805E-04    0.125292E+03 -0.180223E-06 0.100000E-04    0.995415E+00
  67    0.244515E-05    0.119532E+03 -0.204560E-07 0.100000E-04    0.997451E+00
  68   -0.696795E-05    0.117973E+03  0.590641E-07 0.100000E-04    0.994575E+00
  69   -0.240927E-05    0.116774E+03  0.206319E-07 0.100000E-04    0.981696E+00
  70   -0.156575E-04    0.111790E+03  0.140061E-06 0.100000E-04    0.996445E+00
  71   -0.234538E-05    0.109047E+03  0.215079E-07 0.100000E-04    0.986883E+00
  72   -0.336884E-04    0.105135E+03  0.320429E-06 0.100000E-04    0.993150E+00
  73   -0.168625E-04    0.102940E+03  0.163809E-06 0.100000E-04    0.994043E+00
  74    0.286289E-04    0.100042E+03 -0.286168E-06 0.100000E-04    0.997043E+00
  75    0.340881E-04    0.967893E+02 -0.352189E-06 0.100000E-04    0.992871E+00
  76   -0.274911E-04    0.951232E+02  0.289005E-06 0.100000E-04    0.998177E+00
  77   -0.553221E-04    0.915357E+02  0.604377E-06 0.100000E-04    0.997275E+00
  78   -0.183906E-05    0.906313E+02  0.202917E-07 0.100000E-04    0.994653E+00
  79   -0.266765E-04    0.894225E+02  0.298320E-06 0.100000E-04    0.996187E+00
  80   -0.156990E-04    0.846750E+02  0.185403E-06 0.100000E-04    0.996269E+00
  81   -0.154604E-04    0.809042E+02  0.191095E-06 0.100000E-04    0.995674E+00
  82    0.119705E-04    0.794936E+02 -0.150584E-06 0.100000E-04    0.996131E+00
  83    0.121538E-04    0.784673E+02 -0.154890E-06 0.100000E-04    0.100000E+01
  84    0.237725E-04    0.727594E+02 -0.326727E-06 0.100000E-04    0.992391E+00
  85   -0.352191E-04    0.717216E+02  0.491053E-06 0.100000E-04    0.994498E+00
  86    0.305874E-04    0.684095E+02 -0.447122E-06 0.100000E-04    0.991629E+00
  87    0.227068E-04    0.678010E+02 -0.334904E-06 0.100000E-04    0.978520E+00
  88   -0.968995E-06    0.633869E+02  0.152870E-07 0.100000E-04    0.992274E+00
  89    0.410575E-04    0.612750E+02 -0.670054E-06 0.100000E-04    0.995471E+00
  90   -0.196672E-04    0.596559E+02  0.329677E-06 0.100000E-04    0.991490E+00
  91   -0.753001E-06    0.588983E+02  0.127848E-07 0.100000E-04    0.989644E+00
  92    0.495210E-04    0.559179E+02 -0.885603E-06 0.100000E-04    0.997233E+00
  93    0.386236E-04    0.532511E+02 -0.725310E-06 0.100000E-04    0.998167E+00
  94    0.311847E-04    0.522269E+02 -0.597100E-06 0.100000E-04    0.993295E+00
  95   -0.334418E-04    0.502344E+02  0.665715E-06 0.100000E-04    0.999368E+00
  96   -0.110437E-04    0.478873E+02  0.230618E-06 0.100000E-04    0.995787E+00
  97   -0.320416E-04    0.431555E+02  0.742470E-06 0.100000E-04    0.993771E+00
  98    0.251041E-04    0.401148E+02 -0.625807E-06 0.100000E-04    0.994147E+00
  99    0.826849E-04    0.370232E+02 -0.223333E-05 0.100000E-04    0.991405E+00
 100   -0.101945E-04    0.358341E+02  0.284491E-06 0.100000E-04    0.960575E+00
 101   -0.118510E-03    0.355954E+02  0.332936E-05 0.100000E-04    0.999471E+00
 102   -0.737744E-04    0.288952E+02  0.255317E-05 0.100000E-04    0.994379E+00
 103    0.299904E-04    0.287475E+02 -0.104324E-05 0.100000E-04    0.997498E+00
 104    0.464196E-04    0.284476E+02 -0.163176E-05 0.100000E-04    0.989983E+00
 105    0.395943E-04    0.229737E+02 -0.172346E-05 0.100000E-04    0.994915E+00
 106   -0.177934E-05    0.218957E+02  0.812643E-07 0.100000E-04    0.630209E+00
 107    0.126395E-03    0.198611E+02 -0.636398E-05 0.100000E-04    0.998835E+00
 108    0.498440E-04    0.168117E+02 -0.296483E-05 0.100000E-04    0.986299E+00
 109    0.760968E-04    0.137730E+02 -0.552508E-05 0.100000E-04    0.999911E+00
 110    0.565789E-03    0.123317E+02 -0.100000E-04 0.100000E-04    0.802212E+00
 111   -0.260550E-02    0.102048E+02  0.100000E-04 0.100000E-04    0.530240E+00
 112    0.282873E-04    0.959706E+01 -0.294750E-05 0.100000E-04    0.963418E+00
 113   -0.119925E-01    0.756459E+01  0.131581E-04 0.131581E-04    0.165439E+00
 114   -0.449243E+00    0.467539E+01 -0.400000E-03 0.400000E-03    0.272752E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9521559992E-01

 Beginning of optimization cycle  216.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3816951251
 potential> RMS force:                                               0.0422659091   |gradient|=.4512764190    
 Eigenvalues of the Hessian matrix:
   726.46046    672.35536    625.46998    604.47533    589.24486    566.83509 
   565.58468    480.27346    467.66358    462.19227    441.32913    430.59335 
   421.22843    406.93619    397.92150    388.77516    367.26897    362.78886 
   351.69125    339.20722    324.84689    321.64980    319.06910    315.75054 
   304.92663    287.76618    279.39901    270.88859    266.01478    263.20107 
   258.35127    253.63977    242.84864    238.02339    235.51607    228.70558 
   222.47691    212.93933    211.71864    208.43022    203.25381    198.08072 
   195.51419    191.60540    185.43957    176.51177    171.16417    167.77105 
   165.56365    160.00556    153.52440    150.96066    149.13082    142.97335 
   136.95915    135.30748    130.86065    127.69007    126.04398    125.29690 
   119.53369    117.97331    116.77652    111.78276    109.03627    105.13158 
   102.94153    100.03916     96.78244     95.12338     91.54631     90.62613 
    89.43129     84.67736     80.90443     79.49685     78.46541     72.75813 
    71.72539     68.40446     67.79622     63.38636     61.26500     59.65607 
    58.90059     55.91912     53.24681     52.22697     50.23313     47.88544 
    43.15181     40.11705     37.02433     35.82578     35.60196     28.89403 
    28.74707     28.43933     22.97162     21.89383     19.86516     16.81225 
    13.77279     12.33043     10.19351      9.59755      7.56311      4.67267 
overlap for current and previous eigenvector    109 is         0.9999990972
overlap for current and previous eigenvector    110 is         0.9999989909
overlap for current and previous eigenvector    111 is         0.9999722839
overlap for current and previous eigenvector    112 is         0.9999738855
overlap for current and previous eigenvector    113 is        -0.9999978096
overlap for current and previous eigenvector    114 is        -0.9999996165
J1,K1,R1,R2,RAT=   7   7   -0.1251216034E-01     2.012345594        0.9874878397    
FOB,PFOB,DIAG,PSTEP=   -0.1408159683E-05   -0.1390756861E-05     726.4604556        0.1914588312E-08
J1,K1,R1,R2,RAT=   8   8   -0.1176185899E-01     2.011723800        0.9882381410    
FOB,PFOB,DIAG,PSTEP=   -0.2576255971E-05   -0.2546306108E-05     672.3553642        0.3787215361E-08
J1,K1,R1,R2,RAT=   9   9    0.1046265012E-02     1.998906990        0.9989069898    
FOB,PFOB,DIAG,PSTEP=    0.6956324327E-06    0.6963610279E-06     625.4699751       -0.1113366479E-08
J1,K1,R1,R2,RAT=  10  10    0.5334580299E-02     1.994654971        0.9946549713    
FOB,PFOB,DIAG,PSTEP=    0.1625146431E-05    0.1633862447E-05     604.4753296       -0.2702957263E-08
J1,K1,R1,R2,RAT=  11  11    0.1462757969E-02     1.998560929        0.9985372420    
FOB,PFOB,DIAG,PSTEP=   -0.1114219707E-05   -0.1115851909E-05     589.2448570        0.1893675745E-08
J1,K1,R1,R2,RAT= 109 109   -0.9978217482E-03     2.001027021        0.9990021783    
FOB,PFOB,DIAG,PSTEP=    0.7617274078E-04    0.7609681083E-04     13.77278839       -0.5525075802E-05
J1,K1,R1,R2,RAT= 110 110   -0.1987059168         9.375817588        0.8012940832    
FOB,PFOB,DIAG,PSTEP=    0.5902901433E-03    0.5657888416E-03     12.33043384       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4828100344         51.60353527        0.5171899656    
FOB,PFOB,DIAG,PSTEP=   -0.2654714148E-02   -0.2605498845E-02     10.19351284        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8128086312E-01     2.081177362        0.9187191369    
FOB,PFOB,DIAG,PSTEP=    0.3058664520E-04    0.2828730930E-04     9.597551703       -0.2947498918E-05
J1,K1,R1,R2,RAT= 113 113     241.7017747       -0.6866753771        0.3133246229    
FOB,PFOB,DIAG,PSTEP=    0.1206082315E-01   -0.1199248763E-01     7.563111125        0.1315814118E-04
J1,K1,R1,R2,RAT= 114 114    -481.7101652        0.9972507550        0.2749244981E-02
FOB,PFOB,DIAG,PSTEP=    0.4511069287       -0.4492429974         4.672674520       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000      0.00001     -0.00001 
    -0.00002      0.00001     -0.00000      0.00002     -0.00001     -0.00002 
     0.00001      0.00003     -0.00002     -0.00001      0.00000      0.00002 
    -0.00000     -0.00001      0.00000      0.00002      0.00000      0.00003 
    -0.00002      0.00003      0.00003     -0.00003      0.00006     -0.00000 
    -0.00003      0.00002      0.00002     -0.00001     -0.00001     -0.00002 
    -0.00004      0.00003      0.00002     -0.00000      0.00004     -0.00002 
     0.00000      0.00005      0.00004      0.00003      0.00003     -0.00001 
     0.00003      0.00003     -0.00008     -0.00001     -0.00012      0.00007 
    -0.00003     -0.00005      0.00004     -0.00000      0.00013     -0.00005 
     0.00008      0.00059     -0.00265      0.00003      0.01206      0.45111 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4376038856
 Log product of positive Hessian eigenvalues =          520.1860729820
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6726745205
 Unscaled step for mode    7=        0.0000000019
 Unscaled step for mode    8=        0.0000000038
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000042
 Unscaled step for mode   13=        0.0000000035
 Unscaled step for mode   14=        0.0000000106
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000073
 Unscaled step for mode   17=       -0.0000000065
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000270
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000173
 Unscaled step for mode   22=       -0.0000000070
 Unscaled step for mode   23=        0.0000000027
 Unscaled step for mode   24=       -0.0000000029
 Unscaled step for mode   25=        0.0000000398
 Unscaled step for mode   26=        0.0000000678
 Unscaled step for mode   27=        0.0000000351
 Unscaled step for mode   28=       -0.0000000051
 Unscaled step for mode   29=       -0.0000000016
 Unscaled step for mode   30=        0.0000000621
 Unscaled step for mode   31=        0.0000000211
 Unscaled step for mode   32=        0.0000000092
 Unscaled step for mode   33=       -0.0000000272
 Unscaled step for mode   34=       -0.0000000170
 Unscaled step for mode   35=       -0.0000000758
 Unscaled step for mode   36=       -0.0000000298
 Unscaled step for mode   37=        0.0000000426
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000607
 Unscaled step for mode   40=       -0.0000000416
 Unscaled step for mode   41=       -0.0000000773
 Unscaled step for mode   42=        0.0000000257
 Unscaled step for mode   43=       -0.0000000270
 Unscaled step for mode   44=        0.0000000540
 Unscaled step for mode   45=       -0.0000000133
 Unscaled step for mode   46=       -0.0000000620
 Unscaled step for mode   47=        0.0000001167
 Unscaled step for mode   48=       -0.0000000072
 Unscaled step for mode   49=        0.0000000772
 Unscaled step for mode   50=        0.0000000428
 Unscaled step for mode   51=        0.0000000542
 Unscaled step for mode   52=       -0.0000000028
 Unscaled step for mode   53=       -0.0000000509
 Unscaled step for mode   54=        0.0000000482
 Unscaled step for mode   55=        0.0000001007
 Unscaled step for mode   56=       -0.0000000337
 Unscaled step for mode   57=        0.0000000290
 Unscaled step for mode   58=       -0.0000001044
 Unscaled step for mode   59=        0.0000000394
 Unscaled step for mode   60=        0.0000001085
 Unscaled step for mode   61=       -0.0000001009
 Unscaled step for mode   62=       -0.0000002130
 Unscaled step for mode   63=        0.0000001499
 Unscaled step for mode   64=        0.0000000805
 Unscaled step for mode   65=       -0.0000000014
 Unscaled step for mode   66=       -0.0000001806
 Unscaled step for mode   67=        0.0000000208
 Unscaled step for mode   68=        0.0000000593
 Unscaled step for mode   69=       -0.0000000208
 Unscaled step for mode   70=       -0.0000001412
 Unscaled step for mode   71=       -0.0000000218
 Unscaled step for mode   72=       -0.0000003218
 Unscaled step for mode   73=        0.0000001649
 Unscaled step for mode   74=       -0.0000002863
 Unscaled step for mode   75=       -0.0000003550
 Unscaled step for mode   76=        0.0000002897
 Unscaled step for mode   77=       -0.0000006065
 Unscaled step for mode   78=        0.0000000199
 Unscaled step for mode   79=        0.0000002961
 Unscaled step for mode   80=       -0.0000001863
 Unscaled step for mode   81=       -0.0000001917
 Unscaled step for mode   82=        0.0000001491
 Unscaled step for mode   83=        0.0000001559
 Unscaled step for mode   84=        0.0000003279
 Unscaled step for mode   85=        0.0000004918
 Unscaled step for mode   86=       -0.0000004426
 Unscaled step for mode   87=       -0.0000003421
 Unscaled step for mode   88=        0.0000000144
 Unscaled step for mode   89=       -0.0000006722
 Unscaled step for mode   90=        0.0000003297
 Unscaled step for mode   91=       -0.0000000127
 Unscaled step for mode   92=       -0.0000008891
 Unscaled step for mode   93=       -0.0000007241
 Unscaled step for mode   94=       -0.0000005990
 Unscaled step for mode   95=       -0.0000006639
 Unscaled step for mode   96=        0.0000002315
 Unscaled step for mode   97=       -0.0000007429
 Unscaled step for mode   98=       -0.0000006286
 Unscaled step for mode   99=        0.0000022422
 Unscaled step for mode  100=        0.0000002770
 Unscaled step for mode  101=        0.0000033274
 Unscaled step for mode  102=       -0.0000025596
 Unscaled step for mode  103=        0.0000010350
 Unscaled step for mode  104=        0.0000016362
 Unscaled step for mode  105=       -0.0000017300
 Unscaled step for mode  106=        0.0000000692
 Unscaled step for mode  107=       -0.0000063610
 Unscaled step for mode  108=        0.0000029477
 Unscaled step for mode  109=       -0.0000055307
 Unscaled step for mode  110=       -0.0000478726
 Unscaled step for mode  111=        0.0002604317
 Unscaled step for mode  112=       -0.0000031869
 Unscaled step for mode  113=       -0.0015946867
 Unscaled step for mode  114=        0.0956580833
 Largest modulus ratio of non-zero e/values=           155.4699461    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.620380E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.633825E-15    0.100740E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.183447E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.424018E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.976487E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.557226E-15    0.973707E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.140816E-05    0.726460E+03  0.193838E-08 0.100000E-04    0.987488E+00
   8   -0.257626E-05    0.672355E+03  0.383169E-08 0.100000E-04    0.988238E+00
   9    0.695632E-06    0.625470E+03 -0.111218E-08 0.100000E-04    0.998907E+00
  10    0.162515E-05    0.604475E+03 -0.268852E-08 0.100000E-04    0.994655E+00
  11   -0.111422E-05    0.589245E+03  0.189093E-08 0.100000E-04    0.998537E+00
  12    0.239827E-05    0.566835E+03 -0.423098E-08 0.100000E-04    0.981810E+00
  13   -0.200018E-05    0.565585E+03  0.353648E-08 0.100000E-04    0.972753E+00
  14   -0.506927E-05    0.480273E+03  0.105550E-07 0.100000E-04    0.995229E+00
  15    0.185626E-05    0.467664E+03 -0.396922E-08 0.100000E-04    0.995441E+00
  16    0.337287E-05    0.462192E+03 -0.729754E-08 0.100000E-04    0.995140E+00
  17    0.285316E-05    0.441329E+03 -0.646492E-08 0.100000E-04    0.998930E+00
  18    0.449416E-05    0.430593E+03 -0.104371E-07 0.100000E-04    0.998149E+00
  19   -0.113701E-04    0.421228E+03  0.269927E-07 0.100000E-04    0.996676E+00
  20    0.894377E-05    0.406936E+03 -0.219783E-07 0.100000E-04    0.998285E+00
  21    0.687263E-05    0.397922E+03 -0.172713E-07 0.100000E-04    0.999131E+00
  22    0.273129E-05    0.388775E+03 -0.702537E-08 0.100000E-04    0.987687E+00
  23   -0.100808E-05    0.367269E+03  0.274480E-08 0.100000E-04    0.979060E+00
  24    0.104293E-05    0.362789E+03 -0.287475E-08 0.100000E-04    0.982592E+00
  25   -0.139968E-04    0.351691E+03  0.397986E-07 0.100000E-04    0.996050E+00
  26   -0.229918E-04    0.339207E+03  0.677810E-07 0.100000E-04    0.995790E+00
  27   -0.114104E-04    0.324847E+03  0.351253E-07 0.100000E-04    0.995208E+00
  28    0.164399E-05    0.321650E+03 -0.511111E-08 0.100000E-04    0.940815E+00
  29    0.496414E-06    0.319069E+03 -0.155582E-08 0.100000E-04    0.910253E+00
  30   -0.196019E-04    0.315751E+03  0.620805E-07 0.100000E-04    0.995404E+00
  31   -0.642351E-05    0.304927E+03  0.210658E-07 0.100000E-04    0.989174E+00
  32   -0.266041E-05    0.287766E+03  0.924503E-08 0.100000E-04    0.990236E+00
  33    0.760185E-05    0.279399E+03 -0.272079E-07 0.100000E-04    0.996823E+00
  34    0.460033E-05    0.270889E+03 -0.169824E-07 0.100000E-04    0.994779E+00
  35    0.201698E-04    0.266015E+03 -0.758221E-07 0.100000E-04    0.996322E+00
  36    0.783760E-05    0.263201E+03 -0.297780E-07 0.100000E-04    0.990256E+00
  37   -0.110082E-04    0.258351E+03  0.426094E-07 0.100000E-04    0.994620E+00
  38   -0.371029E-05    0.253640E+03  0.146282E-07 0.100000E-04    0.999845E+00
  39   -0.147530E-04    0.242849E+03  0.607499E-07 0.100000E-04    0.997383E+00
  40    0.990295E-05    0.238023E+03 -0.416050E-07 0.100000E-04    0.998940E+00
  41    0.182050E-04    0.235516E+03 -0.772985E-07 0.100000E-04    0.989073E+00
  42   -0.587426E-05    0.228706E+03  0.256848E-07 0.100000E-04    0.991625E+00
  43    0.601313E-05    0.222477E+03 -0.270281E-07 0.100000E-04    0.988534E+00
  44   -0.114956E-04    0.212939E+03  0.539855E-07 0.100000E-04    0.988192E+00
  45    0.281617E-05    0.211719E+03 -0.133015E-07 0.100000E-04    0.983799E+00
  46    0.129224E-04    0.208430E+03 -0.619988E-07 0.100000E-04    0.992722E+00
  47   -0.237124E-04    0.203254E+03  0.116664E-06 0.100000E-04    0.995494E+00
  48    0.142678E-05    0.198081E+03 -0.720303E-08 0.100000E-04    0.979867E+00
  49   -0.151025E-04    0.195514E+03  0.772448E-07 0.100000E-04    0.993262E+00
  50   -0.819443E-05    0.191605E+03  0.427672E-07 0.100000E-04    0.997535E+00
  51   -0.100482E-04    0.185440E+03  0.541856E-07 0.100000E-04    0.993158E+00
  52    0.492692E-06    0.176512E+03 -0.279127E-08 0.100000E-04    0.955479E+00
  53    0.871972E-05    0.171164E+03 -0.509436E-07 0.100000E-04    0.996324E+00
  54   -0.809220E-05    0.167771E+03  0.482336E-07 0.100000E-04    0.990081E+00
  55   -0.166694E-04    0.165564E+03  0.100683E-06 0.100000E-04    0.996802E+00
  56    0.538561E-05    0.160006E+03 -0.336589E-07 0.100000E-04    0.999703E+00
  57   -0.445738E-05    0.153524E+03  0.290337E-07 0.100000E-04    0.992310E+00
  58    0.157622E-04    0.150961E+03 -0.104412E-06 0.100000E-04    0.994983E+00
  59   -0.587583E-05    0.149131E+03  0.394005E-07 0.100000E-04    0.996192E+00
  60   -0.155104E-04    0.142973E+03  0.108484E-06 0.100000E-04    0.994975E+00
  61    0.138226E-04    0.136959E+03 -0.100925E-06 0.100000E-04    0.995471E+00
  62    0.288240E-04    0.135307E+03 -0.213026E-06 0.100000E-04    0.998527E+00
  63   -0.196225E-04    0.130861E+03  0.149950E-06 0.100000E-04    0.999107E+00
  64   -0.102847E-04    0.127690E+03  0.805440E-07 0.100000E-04    0.989172E+00
  65    0.180946E-06    0.126044E+03 -0.143558E-08 0.100000E-04    0.951400E+00
  66    0.226284E-04    0.125297E+03 -0.180598E-06 0.100000E-04    0.997880E+00
  67   -0.249012E-05    0.119534E+03  0.208320E-07 0.100000E-04    0.981608E+00
  68   -0.699002E-05    0.117973E+03  0.592508E-07 0.100000E-04    0.996833E+00
  69    0.242331E-05    0.116777E+03 -0.207517E-07 0.100000E-04    0.994171E+00
  70    0.157833E-04    0.111783E+03 -0.141196E-06 0.100000E-04    0.991961E+00
  71    0.237627E-05    0.109036E+03 -0.217934E-07 0.100000E-04    0.986825E+00
  72    0.338327E-04    0.105132E+03 -0.321813E-06 0.100000E-04    0.995716E+00
  73   -0.169710E-04    0.102942E+03  0.164861E-06 0.100000E-04    0.993565E+00
  74    0.286369E-04    0.100039E+03 -0.286256E-06 0.100000E-04    0.999724E+00
  75    0.343592E-04    0.967824E+02 -0.355015E-06 0.100000E-04    0.992047E+00
  76   -0.275607E-04    0.951234E+02  0.289736E-06 0.100000E-04    0.997469E+00
  77    0.555185E-04    0.915463E+02 -0.606453E-06 0.100000E-04    0.996451E+00
  78   -0.180470E-05    0.906261E+02  0.199137E-07 0.100000E-04    0.981314E+00
  79   -0.264850E-04    0.894313E+02  0.296150E-06 0.100000E-04    0.992628E+00
  80    0.157793E-04    0.846774E+02 -0.186346E-06 0.100000E-04    0.994885E+00
  81    0.155120E-04    0.809044E+02 -0.191733E-06 0.100000E-04    0.996658E+00
  82   -0.118558E-04    0.794968E+02  0.149136E-06 0.100000E-04    0.990341E+00
  83   -0.122330E-04    0.784654E+02  0.155903E-06 0.100000E-04    0.993484E+00
  84   -0.238578E-04    0.727581E+02  0.327906E-06 0.100000E-04    0.996411E+00
  85   -0.352730E-04    0.717254E+02  0.491778E-06 0.100000E-04    0.998471E+00
  86    0.302767E-04    0.684045E+02 -0.442613E-06 0.100000E-04    0.989841E+00
  87    0.231934E-04    0.677962E+02 -0.342104E-06 0.100000E-04    0.978569E+00
  88   -0.910007E-06    0.633864E+02  0.143565E-07 0.100000E-04    0.939124E+00
  89    0.411833E-04    0.612650E+02 -0.672216E-06 0.100000E-04    0.996936E+00
  90   -0.196708E-04    0.596561E+02  0.329736E-06 0.100000E-04    0.999818E+00
  91    0.749832E-06    0.589006E+02 -0.127305E-07 0.100000E-04    0.995715E+00
  92    0.497178E-04    0.559191E+02 -0.889101E-06 0.100000E-04    0.996027E+00
  93    0.385559E-04    0.532468E+02 -0.724098E-06 0.100000E-04    0.998248E+00
  94    0.312839E-04    0.522270E+02 -0.598999E-06 0.100000E-04    0.996819E+00
  95    0.333479E-04    0.502331E+02 -0.663862E-06 0.100000E-04    0.997191E+00
  96   -0.110849E-04    0.478854E+02  0.231489E-06 0.100000E-04    0.996264E+00
  97    0.320577E-04    0.431518E+02 -0.742905E-06 0.100000E-04    0.999500E+00
  98    0.252167E-04    0.401170E+02 -0.628578E-06 0.100000E-04    0.995514E+00
  99   -0.830173E-04    0.370243E+02  0.224224E-05 0.100000E-04    0.995979E+00
 100   -0.992287E-05    0.358258E+02  0.276976E-06 0.100000E-04    0.973352E+00
 101   -0.118462E-03    0.356020E+02  0.332739E-05 0.100000E-04    0.999226E+00
 102    0.739575E-04    0.288940E+02 -0.255961E-05 0.100000E-04    0.997519E+00
 103   -0.297527E-04    0.287471E+02  0.103498E-05 0.100000E-04    0.992074E+00
 104   -0.465316E-04    0.284393E+02  0.163617E-05 0.100000E-04    0.997587E+00
 105    0.397407E-04    0.229716E+02 -0.172999E-05 0.100000E-04    0.996304E+00
 106   -0.151404E-05    0.218938E+02  0.691538E-07 0.100000E-04    0.850887E+00
 107    0.126362E-03    0.198652E+02 -0.636100E-05 0.100000E-04    0.999325E+00
 108   -0.495580E-04    0.168123E+02  0.294773E-05 0.100000E-04    0.994200E+00
 109    0.761727E-04    0.137728E+02 -0.553067E-05 0.100000E-04    0.999002E+00
 110    0.590290E-03    0.123304E+02 -0.100000E-04 0.100000E-04    0.801294E+00
 111   -0.265471E-02    0.101935E+02  0.100000E-04 0.100000E-04    0.517190E+00
 112    0.305866E-04    0.959755E+01 -0.318692E-05 0.100000E-04    0.918719E+00
 113    0.120608E-01    0.756311E+01 -0.118542E-04 0.118542E-04    0.313325E+00
 114    0.451107E+00    0.467267E+01  0.400000E-03 0.400000E-03    0.274924E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9565808335E-01

 Beginning of optimization cycle  217.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3815144838
 potential> RMS force:                                               0.0424405381   |gradient|=.4531409461    
 Eigenvalues of the Hessian matrix:
   726.52100    672.36826    625.48459    604.47824    589.23795    566.86994 
   565.60618    480.29478    467.64066    462.18327    441.32880    430.58452 
   421.23508    406.94657    397.91737    388.77730    367.27306    362.77921 
   351.68356    339.17382    324.85409    321.64706    319.08310    315.72273 
   304.92089    287.77175    279.39353    270.88461    266.02005    263.21115 
   258.35958    253.64251    242.84187    238.01273    235.52428    228.70588 
   222.45710    212.94514    211.72321    208.41793    203.25709    198.07674 
   195.51364    191.60517    185.42955    176.49810    171.16986    167.76733 
   165.56115    159.99843    153.52625    150.96100    149.13173    142.97630 
   136.95969    135.31285    130.85903    127.69142    126.04514    125.30192 
   119.53524    117.97394    116.77922    111.77555    109.02527    105.12804 
   102.94308    100.03584     96.77559     95.12353     91.55691     90.62092 
    89.44001     84.67973     80.90466     79.50004     78.46352     72.75691 
    71.72918     68.39960     67.79129     63.38580     61.25506     59.65628 
    58.90284     55.92042     53.24249     52.22702     50.23185     47.88363 
    43.14819     40.11935     37.02559     35.81744     35.60852     28.89284 
    28.74665     28.43107     22.96951     21.89189     19.86930     16.81276 
    13.77260     12.32918     10.18236      9.59798      7.56162      4.66994 
overlap for current and previous eigenvector    109 is         0.9999991077
overlap for current and previous eigenvector    110 is         0.9999990012
overlap for current and previous eigenvector    111 is         0.9999703714
overlap for current and previous eigenvector    112 is         0.9999719314
overlap for current and previous eigenvector    113 is         0.9999977809
overlap for current and previous eigenvector    114 is         0.9999996187
J1,K1,R1,R2,RAT=   7   7   -0.1446459471E-01     2.014297933        0.9855354053    
FOB,PFOB,DIAG,PSTEP=   -0.1428529839E-05   -0.1408159683E-05     726.5209974        0.1938384494E-08
J1,K1,R1,R2,RAT=   8   8   -0.1062375283E-02     2.001024016        0.9989376247    
FOB,PFOB,DIAG,PSTEP=   -0.2578992974E-05   -0.2576255971E-05     672.3682599        0.3831687986E-08
J1,K1,R1,R2,RAT=   9   9    0.1151319116E-01     1.988440067        0.9884400670    
FOB,PFOB,DIAG,PSTEP=    0.6876232964E-06    0.6956324327E-06     625.4845933       -0.1112175581E-08
J1,K1,R1,R2,RAT=  10  10   -0.8981503292E-02     2.008971864        0.9910184967    
FOB,PFOB,DIAG,PSTEP=    0.1639742760E-05    0.1625146431E-05     604.4782429       -0.2688524000E-08
J1,K1,R1,R2,RAT=  11  11   -0.3312103355E-02     2.003335539        0.9966878966    
FOB,PFOB,DIAG,PSTEP=   -0.1117910075E-05   -0.1114219707E-05     589.2379526        0.1890928183E-08
J1,K1,R1,R2,RAT= 109 109    0.3751413749E-04     1.999990406        0.9999624859    
FOB,PFOB,DIAG,PSTEP=    0.7616988326E-04    0.7617274078E-04     13.77259612       -0.5530669506E-05
J1,K1,R1,R2,RAT= 110 110   -0.2083138416         9.783812798        0.7916861584    
FOB,PFOB,DIAG,PSTEP=    0.6159735271E-03    0.5902901433E-03     12.32917775       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4779394861         52.62134178        0.5220605139    
FOB,PFOB,DIAG,PSTEP=   -0.2703379661E-02   -0.2654714148E-02     10.18235877        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.3887557465E-01     2.038786197        0.9611244253    
FOB,PFOB,DIAG,PSTEP=    0.3177577175E-04    0.3058664520E-04     9.597980625       -0.3186921639E-05
J1,K1,R1,R2,RAT= 113 113   -0.8668896403         269.9712276        0.1331103597    
FOB,PFOB,DIAG,PSTEP=    0.1213852834E-01    0.1206082315E-01     7.561617122       -0.1185418124E-04
J1,K1,R1,R2,RAT= 114 114    0.9972436100        -483.9874596        0.2756390027E-02
FOB,PFOB,DIAG,PSTEP=    0.4529697552        0.4511069287         4.669938580        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000      0.00001     -0.00001 
    -0.00002      0.00001      0.00000     -0.00002      0.00001      0.00002 
     0.00001      0.00003     -0.00002     -0.00001      0.00000      0.00002 
    -0.00000     -0.00001      0.00000     -0.00002      0.00000      0.00003 
     0.00002     -0.00003     -0.00003     -0.00003     -0.00006      0.00000 
     0.00003      0.00002      0.00002      0.00001      0.00001      0.00002 
     0.00004     -0.00003     -0.00002     -0.00000     -0.00004      0.00002 
     0.00000      0.00005      0.00004      0.00003      0.00003     -0.00001 
     0.00003      0.00003      0.00008     -0.00001      0.00012     -0.00007 
     0.00003      0.00005      0.00004     -0.00000     -0.00013      0.00005 
     0.00008      0.00062     -0.00270      0.00003      0.01214      0.45297 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4375552050
 Log product of positive Hessian eigenvalues =          520.1833148000
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6699385798
 Unscaled step for mode    7=        0.0000000020
 Unscaled step for mode    8=        0.0000000038
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000042
 Unscaled step for mode   13=        0.0000000036
 Unscaled step for mode   14=        0.0000000105
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000074
 Unscaled step for mode   17=       -0.0000000065
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000271
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000173
 Unscaled step for mode   22=       -0.0000000071
 Unscaled step for mode   23=        0.0000000027
 Unscaled step for mode   24=       -0.0000000028
 Unscaled step for mode   25=        0.0000000400
 Unscaled step for mode   26=        0.0000000681
 Unscaled step for mode   27=        0.0000000353
 Unscaled step for mode   28=       -0.0000000054
 Unscaled step for mode   29=       -0.0000000018
 Unscaled step for mode   30=        0.0000000623
 Unscaled step for mode   31=        0.0000000212
 Unscaled step for mode   32=        0.0000000094
 Unscaled step for mode   33=       -0.0000000274
 Unscaled step for mode   34=       -0.0000000172
 Unscaled step for mode   35=       -0.0000000760
 Unscaled step for mode   36=       -0.0000000301
 Unscaled step for mode   37=        0.0000000428
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000610
 Unscaled step for mode   40=       -0.0000000415
 Unscaled step for mode   41=       -0.0000000781
 Unscaled step for mode   42=        0.0000000258
 Unscaled step for mode   43=       -0.0000000272
 Unscaled step for mode   44=        0.0000000543
 Unscaled step for mode   45=       -0.0000000134
 Unscaled step for mode   46=       -0.0000000623
 Unscaled step for mode   47=        0.0000001170
 Unscaled step for mode   48=       -0.0000000073
 Unscaled step for mode   49=        0.0000000775
 Unscaled step for mode   50=        0.0000000431
 Unscaled step for mode   51=        0.0000000544
 Unscaled step for mode   52=       -0.0000000028
 Unscaled step for mode   53=       -0.0000000511
 Unscaled step for mode   54=        0.0000000485
 Unscaled step for mode   55=        0.0000001009
 Unscaled step for mode   56=       -0.0000000338
 Unscaled step for mode   57=       -0.0000000293
 Unscaled step for mode   58=        0.0000001050
 Unscaled step for mode   59=       -0.0000000390
 Unscaled step for mode   60=       -0.0000001087
 Unscaled step for mode   61=       -0.0000001018
 Unscaled step for mode   62=       -0.0000002136
 Unscaled step for mode   63=        0.0000001507
 Unscaled step for mode   64=        0.0000000813
 Unscaled step for mode   65=       -0.0000000018
 Unscaled step for mode   66=       -0.0000001814
 Unscaled step for mode   67=        0.0000000208
 Unscaled step for mode   68=        0.0000000596
 Unscaled step for mode   69=       -0.0000000211
 Unscaled step for mode   70=        0.0000001417
 Unscaled step for mode   71=       -0.0000000221
 Unscaled step for mode   72=       -0.0000003240
 Unscaled step for mode   73=       -0.0000001658
 Unscaled step for mode   74=        0.0000002871
 Unscaled step for mode   75=        0.0000003576
 Unscaled step for mode   76=        0.0000002902
 Unscaled step for mode   77=        0.0000006080
 Unscaled step for mode   78=       -0.0000000198
 Unscaled step for mode   79=       -0.0000002950
 Unscaled step for mode   80=       -0.0000001870
 Unscaled step for mode   81=       -0.0000001926
 Unscaled step for mode   82=       -0.0000001485
 Unscaled step for mode   83=       -0.0000001559
 Unscaled step for mode   84=       -0.0000003304
 Unscaled step for mode   85=       -0.0000004944
 Unscaled step for mode   86=        0.0000004386
 Unscaled step for mode   87=        0.0000003491
 Unscaled step for mode   88=        0.0000000144
 Unscaled step for mode   89=        0.0000006753
 Unscaled step for mode   90=       -0.0000003325
 Unscaled step for mode   91=       -0.0000000128
 Unscaled step for mode   92=       -0.0000008915
 Unscaled step for mode   93=       -0.0000007254
 Unscaled step for mode   94=       -0.0000006030
 Unscaled step for mode   95=       -0.0000006643
 Unscaled step for mode   96=        0.0000002305
 Unscaled step for mode   97=       -0.0000007475
 Unscaled step for mode   98=       -0.0000006322
 Unscaled step for mode   99=       -0.0000022610
 Unscaled step for mode  100=        0.0000002655
 Unscaled step for mode  101=       -0.0000033282
 Unscaled step for mode  102=        0.0000025741
 Unscaled step for mode  103=       -0.0000010316
 Unscaled step for mode  104=       -0.0000016531
 Unscaled step for mode  105=       -0.0000017388
 Unscaled step for mode  106=        0.0000000913
 Unscaled step for mode  107=        0.0000063660
 Unscaled step for mode  108=       -0.0000029066
 Unscaled step for mode  109=       -0.0000055305
 Unscaled step for mode  110=       -0.0000499606
 Unscaled step for mode  111=        0.0002654964
 Unscaled step for mode  112=       -0.0000033107
 Unscaled step for mode  113=       -0.0016052779
 Unscaled step for mode  114=        0.0961011324
 Largest modulus ratio of non-zero e/values=           155.5739942    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.173906E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.542101E-17    0.100740E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.369632E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.274520E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.198572E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.394514E-15    0.973708E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.142853E-05    0.726521E+03  0.196626E-08 0.100000E-04    0.985535E+00
   8   -0.257899E-05    0.672368E+03  0.383569E-08 0.100000E-04    0.998938E+00
   9    0.687623E-06    0.625485E+03 -0.109934E-08 0.100000E-04    0.988440E+00
  10    0.163974E-05    0.604478E+03 -0.271266E-08 0.100000E-04    0.991018E+00
  11   -0.111791E-05    0.589238E+03  0.189721E-08 0.100000E-04    0.996688E+00
  12    0.236764E-05    0.566870E+03 -0.417670E-08 0.100000E-04    0.987108E+00
  13   -0.202235E-05    0.565606E+03  0.357554E-08 0.100000E-04    0.988917E+00
  14   -0.506032E-05    0.480295E+03  0.105359E-07 0.100000E-04    0.998147E+00
  15    0.184556E-05    0.467641E+03 -0.394654E-08 0.100000E-04    0.994238E+00
  16    0.340171E-05    0.462183E+03 -0.736009E-08 0.100000E-04    0.991448E+00
  17    0.288137E-05    0.441329E+03 -0.652886E-08 0.100000E-04    0.990111E+00
  18    0.449742E-05    0.430585E+03 -0.104449E-07 0.100000E-04    0.999276E+00
  19   -0.114229E-04    0.421235E+03  0.271177E-07 0.100000E-04    0.995354E+00
  20    0.895342E-05    0.406947E+03 -0.220015E-07 0.100000E-04    0.998921E+00
  21    0.689316E-05    0.397917E+03 -0.173231E-07 0.100000E-04    0.997014E+00
  22    0.277087E-05    0.388777E+03 -0.712713E-08 0.100000E-04    0.985510E+00
  23   -0.100435E-05    0.367273E+03  0.273462E-08 0.100000E-04    0.996280E+00
  24    0.102358E-05    0.362779E+03 -0.282151E-08 0.100000E-04    0.981452E+00
  25   -0.140518E-04    0.351684E+03  0.399558E-07 0.100000E-04    0.996072E+00
  26   -0.231001E-04    0.339174E+03  0.681070E-07 0.100000E-04    0.995289E+00
  27   -0.114543E-04    0.324854E+03  0.352598E-07 0.100000E-04    0.996151E+00
  28    0.174353E-05    0.321647E+03 -0.542063E-08 0.100000E-04    0.939450E+00
  29    0.561307E-06    0.319083E+03 -0.175913E-08 0.100000E-04    0.869282E+00
  30   -0.196551E-04    0.315723E+03  0.622543E-07 0.100000E-04    0.997288E+00
  31   -0.646275E-05    0.304921E+03  0.211948E-07 0.100000E-04    0.993892E+00
  32   -0.269447E-05    0.287772E+03  0.936323E-08 0.100000E-04    0.987195E+00
  33    0.765224E-05    0.279394E+03 -0.273888E-07 0.100000E-04    0.993371E+00
  34    0.464730E-05    0.270885E+03 -0.171560E-07 0.100000E-04    0.989790E+00
  35    0.202084E-04    0.266020E+03 -0.759659E-07 0.100000E-04    0.998084E+00
  36    0.791044E-05    0.263211E+03 -0.300536E-07 0.100000E-04    0.990707E+00
  37   -0.110682E-04    0.258360E+03  0.428403E-07 0.100000E-04    0.994549E+00
  38   -0.369807E-05    0.253643E+03  0.145798E-07 0.100000E-04    0.996685E+00
  39   -0.148076E-04    0.242842E+03  0.609765E-07 0.100000E-04    0.996299E+00
  40    0.986942E-05    0.238013E+03 -0.414659E-07 0.100000E-04    0.996614E+00
  41    0.183909E-04    0.235524E+03 -0.780849E-07 0.100000E-04    0.989792E+00
  42   -0.590631E-05    0.228706E+03  0.258249E-07 0.100000E-04    0.994544E+00
  43    0.605456E-05    0.222457E+03 -0.272167E-07 0.100000E-04    0.993110E+00
  44   -0.115598E-04    0.212945E+03  0.542852E-07 0.100000E-04    0.994421E+00
  45    0.282730E-05    0.211723E+03 -0.133537E-07 0.100000E-04    0.996047E+00
  46    0.129864E-04    0.208418E+03 -0.623097E-07 0.100000E-04    0.995045E+00
  47   -0.237749E-04    0.203257E+03  0.116969E-06 0.100000E-04    0.997365E+00
  48    0.145206E-05    0.198077E+03 -0.733077E-08 0.100000E-04    0.982286E+00
  49   -0.151593E-04    0.195514E+03  0.775360E-07 0.100000E-04    0.996234E+00
  50   -0.826328E-05    0.191605E+03  0.431266E-07 0.100000E-04    0.991598E+00
  51   -0.100797E-04    0.185430E+03  0.543589E-07 0.100000E-04    0.996856E+00
  52    0.498174E-06    0.176498E+03 -0.282255E-08 0.100000E-04    0.988873E+00
  53    0.875060E-05    0.171170E+03 -0.511223E-07 0.100000E-04    0.996459E+00
  54   -0.814139E-05    0.167767E+03  0.485278E-07 0.100000E-04    0.993922E+00
  55   -0.167083E-04    0.165561E+03  0.100919E-06 0.100000E-04    0.997667E+00
  56    0.541195E-05    0.159998E+03 -0.338250E-07 0.100000E-04    0.995109E+00
  57    0.449391E-05    0.153526E+03 -0.292713E-07 0.100000E-04    0.991805E+00
  58   -0.158512E-04    0.150961E+03  0.105002E-06 0.100000E-04    0.994350E+00
  59    0.581475E-05    0.149132E+03 -0.389907E-07 0.100000E-04    0.989593E+00
  60    0.155446E-04    0.142976E+03 -0.108721E-06 0.100000E-04    0.997796E+00
  61    0.139404E-04    0.136960E+03 -0.101785E-06 0.100000E-04    0.991474E+00
  62    0.289074E-04    0.135313E+03 -0.213634E-06 0.100000E-04    0.997106E+00
  63   -0.197173E-04    0.130859E+03  0.150676E-06 0.100000E-04    0.995169E+00
  64   -0.103818E-04    0.127691E+03  0.813040E-07 0.100000E-04    0.990553E+00
  65    0.222889E-06    0.126045E+03 -0.176833E-08 0.100000E-04    0.768206E+00
  66    0.227309E-04    0.125302E+03 -0.181409E-06 0.100000E-04    0.995470E+00
  67   -0.248438E-05    0.119535E+03  0.207836E-07 0.100000E-04    0.997667E+00
  68   -0.702750E-05    0.117974E+03  0.595683E-07 0.100000E-04    0.994637E+00
  69    0.246648E-05    0.116779E+03 -0.211208E-07 0.100000E-04    0.982188E+00
  70   -0.158394E-04    0.111776E+03  0.141707E-06 0.100000E-04    0.996448E+00
  71    0.240713E-05    0.109025E+03 -0.220786E-07 0.100000E-04    0.987013E+00
  72    0.340625E-04    0.105128E+03 -0.324010E-06 0.100000E-04    0.993205E+00
  73    0.170706E-04    0.102943E+03 -0.165826E-06 0.100000E-04    0.994131E+00
  74   -0.287195E-04    0.100036E+03  0.287092E-06 0.100000E-04    0.997113E+00
  75   -0.346032E-04    0.967756E+02  0.357561E-06 0.100000E-04    0.992900E+00
  76   -0.276068E-04    0.951235E+02  0.290221E-06 0.100000E-04    0.998325E+00
  77   -0.556645E-04    0.915569E+02  0.607977E-06 0.100000E-04    0.997370E+00
  78    0.179387E-05    0.906209E+02 -0.197954E-07 0.100000E-04    0.994000E+00
  79    0.263856E-04    0.894400E+02 -0.295009E-06 0.100000E-04    0.996050E+00
  80    0.158366E-04    0.846797E+02 -0.187018E-06 0.100000E-04    0.996368E+00
  81    0.155785E-04    0.809047E+02 -0.192554E-06 0.100000E-04    0.995711E+00
  82    0.118084E-04    0.795000E+02 -0.148534E-06 0.100000E-04    0.995920E+00
  83    0.122327E-04    0.784635E+02 -0.155903E-06 0.100000E-04    0.999979E+00
  84    0.240372E-04    0.727569E+02 -0.330377E-06 0.100000E-04    0.992481E+00
  85    0.354637E-04    0.717292E+02 -0.494411E-06 0.100000E-04    0.994593E+00
  86   -0.300004E-04    0.683996E+02  0.438606E-06 0.100000E-04    0.990875E+00
  87   -0.236658E-04    0.677913E+02  0.349097E-06 0.100000E-04    0.979631E+00
  88   -0.914741E-06    0.633858E+02  0.144313E-07 0.100000E-04    0.994797E+00
  89   -0.413672E-04    0.612551E+02  0.675326E-06 0.100000E-04    0.995535E+00
  90    0.198368E-04    0.596563E+02 -0.332519E-06 0.100000E-04    0.991557E+00
  91    0.756375E-06    0.589028E+02 -0.128411E-07 0.100000E-04    0.991274E+00
  92    0.498514E-04    0.559204E+02 -0.891470E-06 0.100000E-04    0.997312E+00
  93    0.386247E-04    0.532425E+02 -0.725449E-06 0.100000E-04    0.998217E+00
  94    0.314912E-04    0.522270E+02 -0.602967E-06 0.100000E-04    0.993374E+00
  95    0.333675E-04    0.502318E+02 -0.664270E-06 0.100000E-04    0.999411E+00
  96   -0.110371E-04    0.478836E+02  0.230498E-06 0.100000E-04    0.995683E+00
  97    0.322538E-04    0.431482E+02 -0.747513E-06 0.100000E-04    0.993881E+00
  98    0.253634E-04    0.401193E+02 -0.632199E-06 0.100000E-04    0.994183E+00
  99    0.837142E-04    0.370256E+02 -0.226098E-05 0.100000E-04    0.991605E+00
 100   -0.950775E-05    0.358174E+02  0.265450E-06 0.100000E-04    0.958155E+00
 101    0.118512E-03    0.356085E+02 -0.332820E-05 0.100000E-04    0.999574E+00
 102   -0.743733E-04    0.288928E+02  0.257411E-05 0.100000E-04    0.994378E+00
 103    0.296554E-04    0.287466E+02 -0.103161E-05 0.100000E-04    0.996730E+00
 104    0.469995E-04    0.284311E+02 -0.165310E-05 0.100000E-04    0.989940E+00
 105    0.399391E-04    0.229695E+02 -0.173879E-05 0.100000E-04    0.995006E+00
 106   -0.199805E-05    0.218919E+02  0.912690E-07 0.100000E-04    0.680291E+00
 107   -0.126487E-03    0.198693E+02  0.636598E-05 0.100000E-04    0.999008E+00
 108    0.488688E-04    0.168128E+02 -0.290665E-05 0.100000E-04    0.986033E+00
 109    0.761699E-04    0.137726E+02 -0.553054E-05 0.100000E-04    0.999962E+00
 110    0.615974E-03    0.123292E+02 -0.100000E-04 0.100000E-04    0.791686E+00
 111   -0.270338E-02    0.101824E+02  0.100000E-04 0.100000E-04    0.522061E+00
 112    0.317758E-04    0.959798E+01 -0.331067E-05 0.100000E-04    0.961124E+00
 113    0.121385E-01    0.756162E+01 -0.129211E-04 0.129211E-04    0.133110E+00
 114    0.452970E+00    0.466994E+01  0.400000E-03 0.400000E-03    0.275639E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9610113241E-01

 Beginning of optimization cycle  218.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3813331120
 potential> RMS force:                                               0.0426150418   |gradient|=.4550041364    
 Eigenvalues of the Hessian matrix:
   726.58151    672.38104    625.49915    604.48114    589.23093    566.90514 
   565.62732    480.31612    467.61773    462.17431    441.32851    430.57579 
   421.24173    406.95694    397.91325    388.77942    367.27721    362.76956 
   351.67594    339.14057    324.86135    321.64437    319.09706    315.69489 
   304.91515    287.77734    279.38806    270.88070    266.02541    263.22126 
   258.36804    253.64526    242.83520    238.00226    235.53237    228.70618 
   222.43728    212.95105    211.72780    208.40566    203.26039    198.07277 
   195.51308    191.60492    185.41954    176.48442    171.17556    167.76364 
   165.55861    159.99125    153.52818    150.96138    149.13250    142.97921 
   136.96024    135.31823    130.85738    127.69283    126.04624    125.30691 
   119.53679    117.97456    116.78188    111.76834    109.01423    105.12448 
   102.94464    100.03253     96.76868     95.12365     91.56756     90.61575 
    89.44868     84.68212     80.90491     79.50323     78.46163     72.75570 
    71.73294     68.39484     67.78615     63.38524     61.24508     59.65651 
    58.90506     55.92170     53.23814     52.22706     50.23055     47.88178 
    43.14458     40.12163     37.02691     35.80898     35.61501     28.89167 
    28.74622     28.42280     22.96747     21.88991     19.87344     16.81325 
    13.77241     12.32794     10.17128      9.59835      7.56008      4.66718 
overlap for current and previous eigenvector    109 is         0.9999991161
overlap for current and previous eigenvector    110 is         0.9999990138
overlap for current and previous eigenvector    111 is         0.9999682281
overlap for current and previous eigenvector    112 is         0.9999697459
overlap for current and previous eigenvector    113 is        -0.9999977472
overlap for current and previous eigenvector    114 is        -0.9999996197
J1,K1,R1,R2,RAT=   7   7   -0.1232371261E-01     2.012157132        0.9876762874    
FOB,PFOB,DIAG,PSTEP=   -0.1446136097E-05   -0.1428529839E-05     726.5815144        0.1966260913E-08
J1,K1,R1,R2,RAT=   8   8   -0.1154966805E-01     2.011511659        0.9884503320    
FOB,PFOB,DIAG,PSTEP=   -0.2608780053E-05   -0.2578992974E-05     672.3810382        0.3835685186E-08
J1,K1,R1,R2,RAT=   9   9    0.1704735139E-02     1.998248727        0.9982487269    
FOB,PFOB,DIAG,PSTEP=    0.6864510535E-06    0.6876232964E-06     625.4991480       -0.1099344898E-08
J1,K1,R1,R2,RAT=  10  10    0.5232081899E-02     1.994758323        0.9947583232    
FOB,PFOB,DIAG,PSTEP=    0.1631163450E-05    0.1639742760E-05     604.4811429       -0.2712658030E-08
J1,K1,R1,R2,RAT=  11  11    0.1582665629E-02     1.998441176        0.9984173344    
FOB,PFOB,DIAG,PSTEP=   -0.1116140818E-05   -0.1117910075E-05     589.2309284        0.1897213290E-08
J1,K1,R1,R2,RAT= 109 109   -0.1048572518E-02     2.001075613        0.9989514275    
FOB,PFOB,DIAG,PSTEP=    0.7624975183E-04    0.7616988326E-04     13.77240992       -0.5530539238E-05
J1,K1,R1,R2,RAT= 110 110   -0.2091384746         10.20227126        0.7908615254    
FOB,PFOB,DIAG,PSTEP=    0.6417559852E-03    0.6159735271E-03     12.32793640       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4909889056         53.64808498        0.5090110944    
FOB,PFOB,DIAG,PSTEP=   -0.2753319538E-02   -0.2703379661E-02     10.17128422        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7956166299E-01     2.079484805        0.9204383370    
FOB,PFOB,DIAG,PSTEP=    0.3430400215E-04    0.3177577175E-04     9.598349479       -0.3310672629E-05
J1,K1,R1,R2,RAT= 113 113     249.2425691       -0.7167996338        0.2832003662    
FOB,PFOB,DIAG,PSTEP=   -0.1220854839E-01    0.1213852834E-01     7.560082668       -0.1292105755E-04
J1,K1,R1,R2,RAT= 114 114    -486.2689425        0.9972206241        0.2779375885E-02
FOB,PFOB,DIAG,PSTEP=   -0.4548314371        0.4529697552         4.667176500        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002     -0.00001      0.00000     -0.00002      0.00001      0.00002 
    -0.00001     -0.00003     -0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002      0.00000     -0.00003 
    -0.00002      0.00003     -0.00003     -0.00003     -0.00006      0.00000 
     0.00003      0.00002      0.00002     -0.00001     -0.00001      0.00002 
    -0.00004     -0.00003      0.00002      0.00000      0.00004     -0.00002 
    -0.00000     -0.00005     -0.00004      0.00003      0.00003      0.00001 
     0.00003      0.00003      0.00008     -0.00001      0.00012     -0.00007 
    -0.00003      0.00005     -0.00004      0.00000      0.00013     -0.00005 
     0.00008      0.00064     -0.00275      0.00003     -0.01221     -0.45483 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4375077432
 Log product of positive Hessian eigenvalues =          520.1805389122
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6671764996
 Unscaled step for mode    7=        0.0000000020
 Unscaled step for mode    8=        0.0000000039
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000041
 Unscaled step for mode   13=        0.0000000037
 Unscaled step for mode   14=        0.0000000105
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000074
 Unscaled step for mode   17=       -0.0000000065
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000272
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000173
 Unscaled step for mode   22=       -0.0000000072
 Unscaled step for mode   23=        0.0000000027
 Unscaled step for mode   24=       -0.0000000028
 Unscaled step for mode   25=        0.0000000401
 Unscaled step for mode   26=        0.0000000684
 Unscaled step for mode   27=        0.0000000354
 Unscaled step for mode   28=       -0.0000000057
 Unscaled step for mode   29=       -0.0000000019
 Unscaled step for mode   30=        0.0000000625
 Unscaled step for mode   31=        0.0000000214
 Unscaled step for mode   32=        0.0000000095
 Unscaled step for mode   33=       -0.0000000275
 Unscaled step for mode   34=       -0.0000000172
 Unscaled step for mode   35=       -0.0000000762
 Unscaled step for mode   36=       -0.0000000303
 Unscaled step for mode   37=        0.0000000431
 Unscaled step for mode   38=        0.0000000146
 Unscaled step for mode   39=        0.0000000611
 Unscaled step for mode   40=       -0.0000000414
 Unscaled step for mode   41=       -0.0000000789
 Unscaled step for mode   42=        0.0000000260
 Unscaled step for mode   43=       -0.0000000275
 Unscaled step for mode   44=        0.0000000549
 Unscaled step for mode   45=       -0.0000000131
 Unscaled step for mode   46=       -0.0000000628
 Unscaled step for mode   47=        0.0000001175
 Unscaled step for mode   48=       -0.0000000075
 Unscaled step for mode   49=        0.0000000781
 Unscaled step for mode   50=        0.0000000430
 Unscaled step for mode   51=        0.0000000547
 Unscaled step for mode   52=       -0.0000000029
 Unscaled step for mode   53=        0.0000000513
 Unscaled step for mode   54=        0.0000000490
 Unscaled step for mode   55=       -0.0000001012
 Unscaled step for mode   56=        0.0000000338
 Unscaled step for mode   57=       -0.0000000295
 Unscaled step for mode   58=        0.0000001055
 Unscaled step for mode   59=       -0.0000000388
 Unscaled step for mode   60=       -0.0000001093
 Unscaled step for mode   61=        0.0000001022
 Unscaled step for mode   62=        0.0000002139
 Unscaled step for mode   63=        0.0000001508
 Unscaled step for mode   64=        0.0000000822
 Unscaled step for mode   65=        0.0000000019
 Unscaled step for mode   66=       -0.0000001818
 Unscaled step for mode   67=        0.0000000212
 Unscaled step for mode   68=       -0.0000000598
 Unscaled step for mode   69=        0.0000000212
 Unscaled step for mode   70=        0.0000001428
 Unscaled step for mode   71=       -0.0000000224
 Unscaled step for mode   72=        0.0000003254
 Unscaled step for mode   73=        0.0000001669
 Unscaled step for mode   74=       -0.0000002872
 Unscaled step for mode   75=        0.0000003604
 Unscaled step for mode   76=        0.0000002909
 Unscaled step for mode   77=        0.0000006100
 Unscaled step for mode   78=       -0.0000000194
 Unscaled step for mode   79=       -0.0000002928
 Unscaled step for mode   80=       -0.0000001879
 Unscaled step for mode   81=       -0.0000001932
 Unscaled step for mode   82=        0.0000001471
 Unscaled step for mode   83=        0.0000001569
 Unscaled step for mode   84=       -0.0000003316
 Unscaled step for mode   85=        0.0000004951
 Unscaled step for mode   86=        0.0000004338
 Unscaled step for mode   87=       -0.0000003562
 Unscaled step for mode   88=       -0.0000000135
 Unscaled step for mode   89=       -0.0000006775
 Unscaled step for mode   90=        0.0000003326
 Unscaled step for mode   91=        0.0000000128
 Unscaled step for mode   92=        0.0000008949
 Unscaled step for mode   93=        0.0000007242
 Unscaled step for mode   94=       -0.0000006049
 Unscaled step for mode   95=       -0.0000006624
 Unscaled step for mode   96=       -0.0000002313
 Unscaled step for mode   97=       -0.0000007479
 Unscaled step for mode   98=       -0.0000006350
 Unscaled step for mode   99=       -0.0000022698
 Unscaled step for mode  100=        0.0000002582
 Unscaled step for mode  101=       -0.0000033259
 Unscaled step for mode  102=        0.0000025808
 Unscaled step for mode  103=        0.0000010227
 Unscaled step for mode  104=       -0.0000016580
 Unscaled step for mode  105=        0.0000017452
 Unscaled step for mode  106=       -0.0000000796
 Unscaled step for mode  107=       -0.0000063622
 Unscaled step for mode  108=        0.0000028895
 Unscaled step for mode  109=       -0.0000055364
 Unscaled step for mode  110=       -0.0000520570
 Unscaled step for mode  111=        0.0002706953
 Unscaled step for mode  112=       -0.0000035739
 Unscaled step for mode  113=        0.0016148655
 Unscaled step for mode  114=       -0.0965448794
 Largest modulus ratio of non-zero e/values=           155.6790309    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.389662E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.492011E-15    0.100740E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.280807E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.784529E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.331115E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.383347E-15    0.973710E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.144614E-05    0.726582E+03  0.199033E-08 0.100000E-04    0.987676E+00
   8   -0.260878E-05    0.672381E+03  0.387991E-08 0.100000E-04    0.988450E+00
   9    0.686451E-06    0.625499E+03 -0.109745E-08 0.100000E-04    0.998249E+00
  10    0.163116E-05    0.604481E+03 -0.269845E-08 0.100000E-04    0.994758E+00
  11   -0.111614E-05    0.589231E+03  0.189423E-08 0.100000E-04    0.998417E+00
  12    0.232243E-05    0.566905E+03 -0.409669E-08 0.100000E-04    0.980782E+00
  13   -0.207298E-05    0.565627E+03  0.366492E-08 0.100000E-04    0.974965E+00
  14   -0.503606E-05    0.480316E+03  0.104849E-07 0.100000E-04    0.995117E+00
  15    0.185362E-05    0.467618E+03 -0.396396E-08 0.100000E-04    0.995635E+00
  16    0.341816E-05    0.462174E+03 -0.739582E-08 0.100000E-04    0.995165E+00
  17    0.288433E-05    0.441329E+03 -0.653556E-08 0.100000E-04    0.998973E+00
  18    0.450507E-05    0.430576E+03 -0.104629E-07 0.100000E-04    0.998300E+00
  19   -0.114606E-04    0.421242E+03  0.272066E-07 0.100000E-04    0.996703E+00
  20    0.893799E-05    0.406957E+03 -0.219630E-07 0.100000E-04    0.998225E+00
  21    0.689875E-05    0.397913E+03 -0.173373E-07 0.100000E-04    0.999189E+00
  22    0.280467E-05    0.388779E+03 -0.721403E-08 0.100000E-04    0.987802E+00
  23   -0.982491E-06    0.367277E+03  0.267507E-08 0.100000E-04    0.978211E+00
  24    0.100441E-05    0.362770E+03 -0.276872E-08 0.100000E-04    0.981265E+00
  25   -0.141066E-04    0.351676E+03  0.401124E-07 0.100000E-04    0.996101E+00
  26   -0.231964E-04    0.339141E+03  0.683977E-07 0.100000E-04    0.995829E+00
  27   -0.115085E-04    0.324861E+03  0.354258E-07 0.100000E-04    0.995268E+00
  28    0.183602E-05    0.321644E+03 -0.570823E-08 0.100000E-04    0.946951E+00
  29    0.601635E-06    0.319097E+03 -0.188543E-08 0.100000E-04    0.928156E+00
  30   -0.197436E-04    0.315695E+03  0.625401E-07 0.100000E-04    0.995497E+00
  31   -0.653193E-05    0.304915E+03  0.214221E-07 0.100000E-04    0.989295E+00
  32   -0.272092E-05    0.287777E+03  0.945495E-08 0.100000E-04    0.990185E+00
  33    0.767676E-05    0.279388E+03 -0.274771E-07 0.100000E-04    0.996796E+00
  34    0.467188E-05    0.270881E+03 -0.172470E-07 0.100000E-04    0.994712E+00
  35    0.202816E-04    0.266025E+03 -0.762392E-07 0.100000E-04    0.996382E+00
  36    0.798710E-05    0.263221E+03 -0.303437E-07 0.100000E-04    0.990309E+00
  37   -0.111272E-04    0.258368E+03  0.430673E-07 0.100000E-04    0.994668E+00
  38   -0.369770E-05    0.253645E+03  0.145782E-07 0.100000E-04    0.999878E+00
  39   -0.148461E-04    0.242835E+03  0.611365E-07 0.100000E-04    0.997402E+00
  40    0.985183E-05    0.238002E+03 -0.413938E-07 0.100000E-04    0.998217E+00
  41    0.185914E-04    0.235532E+03 -0.789334E-07 0.100000E-04    0.989099E+00
  42   -0.595584E-05    0.228706E+03  0.260415E-07 0.100000E-04    0.991614E+00
  43    0.612336E-05    0.222437E+03 -0.275285E-07 0.100000E-04    0.988636E+00
  44   -0.116939E-04    0.212951E+03  0.549134E-07 0.100000E-04    0.988399E+00
  45    0.278142E-05    0.211728E+03 -0.131368E-07 0.100000E-04    0.983729E+00
  46    0.130799E-04    0.208406E+03 -0.627619E-07 0.100000E-04    0.992801E+00
  47   -0.238802E-04    0.203260E+03  0.117486E-06 0.100000E-04    0.995570E+00
  48    0.148016E-05    0.198073E+03 -0.747279E-08 0.100000E-04    0.980648E+00
  49   -0.152603E-04    0.195513E+03  0.780524E-07 0.100000E-04    0.993343E+00
  50   -0.824297E-05    0.191605E+03  0.430207E-07 0.100000E-04    0.997542E+00
  51   -0.101477E-04    0.185420E+03  0.547281E-07 0.100000E-04    0.993262E+00
  52    0.519256E-06    0.176484E+03 -0.294222E-08 0.100000E-04    0.957678E+00
  53   -0.878221E-05    0.171176E+03  0.513053E-07 0.100000E-04    0.996388E+00
  54   -0.822099E-05    0.167764E+03  0.490034E-07 0.100000E-04    0.990222E+00
  55    0.167607E-04    0.165559E+03 -0.101237E-06 0.100000E-04    0.996863E+00
  56   -0.541425E-05    0.159991E+03  0.338409E-07 0.100000E-04    0.999574E+00
  57    0.452769E-05    0.153528E+03 -0.294910E-07 0.100000E-04    0.992483E+00
  58   -0.159300E-04    0.150961E+03  0.105524E-06 0.100000E-04    0.995031E+00
  59    0.578977E-05    0.149133E+03 -0.388230E-07 0.100000E-04    0.995694E+00
  60    0.156208E-04    0.142979E+03 -0.109252E-06 0.100000E-04    0.995096E+00
  61   -0.140036E-04    0.136960E+03  0.102245E-06 0.100000E-04    0.995471E+00
  62   -0.289488E-04    0.135318E+03  0.213931E-06 0.100000E-04    0.998569E+00
  63   -0.197344E-04    0.130857E+03  0.150809E-06 0.100000E-04    0.999132E+00
  64   -0.104927E-04    0.127693E+03  0.821717E-07 0.100000E-04    0.989318E+00
  65   -0.234004E-06    0.126046E+03  0.185649E-08 0.100000E-04    0.950132E+00
  66    0.227785E-04    0.125307E+03 -0.181781E-06 0.100000E-04    0.997907E+00
  67   -0.252964E-05    0.119537E+03  0.211620E-07 0.100000E-04    0.981780E+00
  68    0.704949E-05    0.117975E+03 -0.597543E-07 0.100000E-04    0.996871E+00
  69   -0.248059E-05    0.116782E+03  0.212412E-07 0.100000E-04    0.994278E+00
  70   -0.159653E-04    0.111768E+03  0.142843E-06 0.100000E-04    0.992048E+00
  71    0.243869E-05    0.109014E+03 -0.223704E-07 0.100000E-04    0.986887E+00
  72   -0.342087E-04    0.105124E+03  0.325411E-06 0.100000E-04    0.995709E+00
  73   -0.171785E-04    0.102945E+03  0.166872E-06 0.100000E-04    0.993678E+00
  74    0.287264E-04    0.100033E+03 -0.287171E-06 0.100000E-04    0.999760E+00
  75   -0.348760E-04    0.967687E+02  0.360406E-06 0.100000E-04    0.992114E+00
  76   -0.276724E-04    0.951237E+02  0.290909E-06 0.100000E-04    0.997626E+00
  77   -0.558545E-04    0.915676E+02  0.609981E-06 0.100000E-04    0.996588E+00
  78    0.175965E-05    0.906158E+02 -0.194188E-07 0.100000E-04    0.980918E+00
  79    0.261922E-04    0.894487E+02 -0.292819E-06 0.100000E-04    0.992479E+00
  80    0.159155E-04    0.846821E+02 -0.187944E-06 0.100000E-04    0.995017E+00
  81    0.156306E-04    0.809049E+02 -0.193197E-06 0.100000E-04    0.996661E+00
  82   -0.116923E-04    0.795032E+02  0.147067E-06 0.100000E-04    0.990086E+00
  83   -0.123105E-04    0.784616E+02  0.156899E-06 0.100000E-04    0.993641E+00
  84    0.241233E-04    0.727557E+02 -0.331566E-06 0.100000E-04    0.996417E+00
  85   -0.355164E-04    0.717329E+02  0.495120E-06 0.100000E-04    0.998513E+00
  86   -0.296727E-04    0.683948E+02  0.433845E-06 0.100000E-04    0.989076E+00
  87    0.241438E-04    0.677862E+02 -0.356176E-06 0.100000E-04    0.979799E+00
  88    0.854609E-06    0.633852E+02 -0.134828E-07 0.100000E-04    0.934263E+00
  89    0.414920E-04    0.612451E+02 -0.677474E-06 0.100000E-04    0.996983E+00
  90   -0.198416E-04    0.596565E+02  0.332597E-06 0.100000E-04    0.999760E+00
  91   -0.752604E-06    0.589051E+02  0.127766E-07 0.100000E-04    0.994938E+00
  92   -0.500442E-04    0.559217E+02  0.894898E-06 0.100000E-04    0.996132E+00
  93   -0.385565E-04    0.532381E+02  0.724227E-06 0.100000E-04    0.998235E+00
  94    0.315915E-04    0.522271E+02 -0.604887E-06 0.100000E-04    0.996816E+00
  95    0.332729E-04    0.502306E+02 -0.662403E-06 0.100000E-04    0.997163E+00
  96    0.110766E-04    0.478818E+02 -0.231333E-06 0.100000E-04    0.996415E+00
  97    0.322683E-04    0.431446E+02 -0.747911E-06 0.100000E-04    0.999551E+00
  98    0.254764E-04    0.401216E+02 -0.634980E-06 0.100000E-04    0.995544E+00
  99    0.840429E-04    0.370269E+02 -0.226978E-05 0.100000E-04    0.996074E+00
 100   -0.924465E-05    0.358090E+02  0.258166E-06 0.100000E-04    0.972322E+00
 101    0.118453E-03    0.356150E+02 -0.332594E-05 0.100000E-04    0.999139E+00
 102   -0.745630E-04    0.288917E+02  0.258078E-05 0.100000E-04    0.997448E+00
 103   -0.293976E-04    0.287462E+02  0.102266E-05 0.100000E-04    0.991304E+00
 104    0.471240E-04    0.284228E+02 -0.165796E-05 0.100000E-04    0.997352E+00
 105   -0.400838E-04    0.229675E+02  0.174524E-05 0.100000E-04    0.996376E+00
 106    0.174197E-05    0.218899E+02 -0.795787E-07 0.100000E-04    0.871824E+00
 107    0.126439E-03    0.198734E+02 -0.636221E-05 0.100000E-04    0.999200E+00
 108   -0.485827E-04    0.168133E+02  0.288955E-05 0.100000E-04    0.994087E+00
 109    0.762498E-04    0.137724E+02 -0.553641E-05 0.100000E-04    0.998951E+00
 110    0.641756E-03    0.123279E+02 -0.100000E-04 0.100000E-04    0.790862E+00
 111   -0.275332E-02    0.101713E+02  0.100000E-04 0.100000E-04    0.509011E+00
 112    0.343040E-04    0.959835E+01 -0.357395E-05 0.100000E-04    0.920438E+00
 113   -0.122085E-01    0.756008E+01  0.116406E-04 0.116406E-04    0.283200E+00
 114   -0.454831E+00    0.466718E+01 -0.400000E-03 0.400000E-03    0.277938E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9654487944E-01

 Beginning of optimization cycle  219.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3811509820
 potential> RMS force:                                               0.0427894639   |gradient|=.4568664543    
 Eigenvalues of the Hessian matrix:
   726.64207    672.39392    625.51370    604.48380    589.22398    566.94046 
   565.64826    480.33754    467.59481    462.16534    441.32823    430.56698 
   421.24831    406.96729    397.90912    388.78150    367.28134    362.75993 
   351.66824    339.10735    324.86860    321.64174    319.11101    315.66699 
   304.90933    287.78296    279.38256    270.87678    266.03080    263.23131 
   258.37639    253.64800    242.82852    237.99188    235.54027    228.70641 
   222.41745    212.95695    211.73236    208.39341    203.26365    198.06877 
   195.51246    191.60468    185.40950    176.47076    171.18128    167.75994 
   165.55605    159.98408    153.53013    150.96181    149.13325    142.98216 
   136.96079    135.32358    130.85576    127.69424    126.04732    125.31189 
   119.53836    117.97520    116.78456    111.76114    109.00323    105.12095 
   102.94619    100.02924     96.76174     95.12377     91.57822     90.61058 
    89.45728     84.68451     80.90514     79.50639     78.45976     72.75453 
    71.73675     68.39029     67.78085     63.38468     61.23513     59.65673 
    58.90730     55.92300     53.23382     52.22713     50.22926     47.87995 
    43.14099     40.12392     37.02831     35.80052     35.62154     28.89052 
    28.74579     28.41452     22.96545     21.88787     19.87762     16.81374 
    13.77223     12.32670     10.16030      9.59864      7.55853      4.66439 
overlap for current and previous eigenvector    109 is         0.9999991264
overlap for current and previous eigenvector    110 is         0.9999990237
overlap for current and previous eigenvector    111 is         0.9999659796
overlap for current and previous eigenvector    112 is         0.9999674528
overlap for current and previous eigenvector    113 is         0.9999977177
overlap for current and previous eigenvector    114 is         0.9999996219
J1,K1,R1,R2,RAT=   7   7   -0.1417748821E-01     2.014010818        0.9858225118    
FOB,PFOB,DIAG,PSTEP=   -0.1466640383E-05   -0.1446136097E-05     726.6420691        0.1990328777E-08
J1,K1,R1,R2,RAT=   8   8   -0.1124438489E-02     2.001086127        0.9988755615    
FOB,PFOB,DIAG,PSTEP=   -0.2611713522E-05   -0.2608780053E-05     672.3939183        0.3879913182E-08
J1,K1,R1,R2,RAT=   9   9    0.1186052894E-01     1.988092934        0.9880929338    
FOB,PFOB,DIAG,PSTEP=    0.6783091915E-06    0.6864510535E-06     625.5137029       -0.1097445225E-08
J1,K1,R1,R2,RAT=  10  10   -0.8909398657E-02     2.008900610        0.9910906013    
FOB,PFOB,DIAG,PSTEP=    0.1645696199E-05    0.1631163450E-05     604.4837993       -0.2698452167E-08
J1,K1,R1,R2,RAT=  11  11   -0.3122376489E-02     2.003145967        0.9968776235    
FOB,PFOB,DIAG,PSTEP=   -0.1119625788E-05   -0.1116140818E-05     589.2239783        0.1894233252E-08
J1,K1,R1,R2,RAT= 109 109   -0.3207843949E-04     2.000057869        0.9999679216    
FOB,PFOB,DIAG,PSTEP=    0.7625219777E-04    0.7624975183E-04     13.77223232       -0.5536413183E-05
J1,K1,R1,R2,RAT= 110 110   -0.2185807840         10.63103662        0.7814192160    
FOB,PFOB,DIAG,PSTEP=    0.6686997780E-03    0.6417559852E-03     12.32669786       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4862370197         54.68382123        0.5137629803    
FOB,PFOB,DIAG,PSTEP=   -0.2802722695E-02   -0.2753319538E-02     10.16030356        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4093957095E-01     2.040878265        0.9590604291    
FOB,PFOB,DIAG,PSTEP=    0.3570843633E-04    0.3430400215E-04     9.598643708       -0.3573948024E-05
J1,K1,R1,R2,RAT= 113 113   -0.9003062176         278.4121161        0.9969378244E-01
FOB,PFOB,DIAG,PSTEP=   -0.1228776254E-01   -0.1220854839E-01     7.558532287        0.1164059239E-04
J1,K1,R1,R2,RAT= 114 114    0.9972128600        -488.5539511        0.2787139950E-02
FOB,PFOB,DIAG,PSTEP=   -0.4566919949       -0.4548314371         4.664394945       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002     -0.00001     -0.00000     -0.00002      0.00001      0.00002 
    -0.00001     -0.00003     -0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000      0.00003 
    -0.00002      0.00003     -0.00004     -0.00003     -0.00006      0.00000 
    -0.00003     -0.00002     -0.00002      0.00001      0.00001     -0.00002 
     0.00004      0.00003     -0.00002      0.00000      0.00004     -0.00002 
    -0.00000     -0.00005     -0.00004     -0.00003      0.00003      0.00001 
     0.00003      0.00003      0.00008     -0.00001      0.00012     -0.00007 
    -0.00003      0.00005     -0.00004      0.00000      0.00013      0.00005 
     0.00008      0.00067     -0.00280      0.00004     -0.01229     -0.45669 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4374563878
 Log product of positive Hessian eigenvalues =          520.1777632425
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6643949453
 Unscaled step for mode    7=        0.0000000020
 Unscaled step for mode    8=        0.0000000039
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000040
 Unscaled step for mode   13=        0.0000000037
 Unscaled step for mode   14=        0.0000000105
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000075
 Unscaled step for mode   17=       -0.0000000066
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000273
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000174
 Unscaled step for mode   22=       -0.0000000073
 Unscaled step for mode   23=        0.0000000027
 Unscaled step for mode   24=       -0.0000000027
 Unscaled step for mode   25=        0.0000000403
 Unscaled step for mode   26=        0.0000000687
 Unscaled step for mode   27=        0.0000000356
 Unscaled step for mode   28=       -0.0000000060
 Unscaled step for mode   29=       -0.0000000021
 Unscaled step for mode   30=        0.0000000627
 Unscaled step for mode   31=        0.0000000216
 Unscaled step for mode   32=        0.0000000096
 Unscaled step for mode   33=       -0.0000000277
 Unscaled step for mode   34=       -0.0000000174
 Unscaled step for mode   35=       -0.0000000764
 Unscaled step for mode   36=       -0.0000000306
 Unscaled step for mode   37=        0.0000000433
 Unscaled step for mode   38=        0.0000000145
 Unscaled step for mode   39=        0.0000000614
 Unscaled step for mode   40=       -0.0000000412
 Unscaled step for mode   41=       -0.0000000797
 Unscaled step for mode   42=        0.0000000262
 Unscaled step for mode   43=       -0.0000000277
 Unscaled step for mode   44=        0.0000000552
 Unscaled step for mode   45=       -0.0000000132
 Unscaled step for mode   46=       -0.0000000631
 Unscaled step for mode   47=        0.0000001178
 Unscaled step for mode   48=       -0.0000000076
 Unscaled step for mode   49=        0.0000000783
 Unscaled step for mode   50=        0.0000000434
 Unscaled step for mode   51=        0.0000000549
 Unscaled step for mode   52=       -0.0000000030
 Unscaled step for mode   53=        0.0000000515
 Unscaled step for mode   54=        0.0000000493
 Unscaled step for mode   55=       -0.0000001015
 Unscaled step for mode   56=        0.0000000340
 Unscaled step for mode   57=        0.0000000297
 Unscaled step for mode   58=        0.0000001061
 Unscaled step for mode   59=       -0.0000000384
 Unscaled step for mode   60=       -0.0000001095
 Unscaled step for mode   61=        0.0000001031
 Unscaled step for mode   62=        0.0000002145
 Unscaled step for mode   63=        0.0000001515
 Unscaled step for mode   64=        0.0000000829
 Unscaled step for mode   65=        0.0000000022
 Unscaled step for mode   66=       -0.0000001826
 Unscaled step for mode   67=        0.0000000211
 Unscaled step for mode   68=       -0.0000000601
 Unscaled step for mode   69=        0.0000000216
 Unscaled step for mode   70=        0.0000001434
 Unscaled step for mode   71=        0.0000000227
 Unscaled step for mode   72=       -0.0000003276
 Unscaled step for mode   73=        0.0000001678
 Unscaled step for mode   74=       -0.0000002880
 Unscaled step for mode   75=        0.0000003630
 Unscaled step for mode   76=        0.0000002914
 Unscaled step for mode   77=        0.0000006115
 Unscaled step for mode   78=       -0.0000000193
 Unscaled step for mode   79=        0.0000002917
 Unscaled step for mode   80=        0.0000001886
 Unscaled step for mode   81=        0.0000001940
 Unscaled step for mode   82=       -0.0000001464
 Unscaled step for mode   83=       -0.0000001569
 Unscaled step for mode   84=        0.0000003340
 Unscaled step for mode   85=       -0.0000004977
 Unscaled step for mode   86=       -0.0000004296
 Unscaled step for mode   87=        0.0000003631
 Unscaled step for mode   88=       -0.0000000135
 Unscaled step for mode   89=       -0.0000006806
 Unscaled step for mode   90=        0.0000003354
 Unscaled step for mode   91=        0.0000000129
 Unscaled step for mode   92=        0.0000008972
 Unscaled step for mode   93=        0.0000007255
 Unscaled step for mode   94=        0.0000006088
 Unscaled step for mode   95=       -0.0000006628
 Unscaled step for mode   96=       -0.0000002303
 Unscaled step for mode   97=       -0.0000007525
 Unscaled step for mode   98=       -0.0000006386
 Unscaled step for mode   99=       -0.0000022883
 Unscaled step for mode  100=        0.0000002468
 Unscaled step for mode  101=       -0.0000033264
 Unscaled step for mode  102=        0.0000025954
 Unscaled step for mode  103=        0.0000010186
 Unscaled step for mode  104=       -0.0000016752
 Unscaled step for mode  105=        0.0000017539
 Unscaled step for mode  106=       -0.0000001019
 Unscaled step for mode  107=       -0.0000063660
 Unscaled step for mode  108=       -0.0000028486
 Unscaled step for mode  109=       -0.0000055367
 Unscaled step for mode  110=       -0.0000542481
 Unscaled step for mode  111=        0.0002758503
 Unscaled step for mode  112=       -0.0000037202
 Unscaled step for mode  113=        0.0016256767
 Unscaled step for mode  114=       -0.0969892005
 Largest modulus ratio of non-zero e/values=           155.7848505    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.391831E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.703214E-15    0.100739E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.954903E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.615540E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.221611E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.319026E-16    0.973712E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.146664E-05    0.726642E+03  0.201838E-08 0.100000E-04    0.985823E+00
   8   -0.261171E-05    0.672394E+03  0.388420E-08 0.100000E-04    0.998876E+00
   9    0.678309E-06    0.625514E+03 -0.108440E-08 0.100000E-04    0.988093E+00
  10    0.164570E-05    0.604484E+03 -0.272248E-08 0.100000E-04    0.991091E+00
  11   -0.111963E-05    0.589224E+03  0.190017E-08 0.100000E-04    0.996878E+00
  12    0.229137E-05    0.566940E+03 -0.404164E-08 0.100000E-04    0.986500E+00
  13   -0.209338E-05    0.565648E+03  0.370085E-08 0.100000E-04    0.990160E+00
  14   -0.502665E-05    0.480338E+03  0.104648E-07 0.100000E-04    0.998041E+00
  15    0.184293E-05    0.467595E+03 -0.394130E-08 0.100000E-04    0.994235E+00
  16    0.344692E-05    0.462165E+03 -0.745820E-08 0.100000E-04    0.991584E+00
  17    0.291207E-05    0.441328E+03 -0.659841E-08 0.100000E-04    0.990384E+00
  18    0.450781E-05    0.430567E+03 -0.104695E-07 0.100000E-04    0.999390E+00
  19   -0.115133E-04    0.421248E+03  0.273314E-07 0.100000E-04    0.995398E+00
  20    0.894673E-05    0.406967E+03 -0.219839E-07 0.100000E-04    0.999022E+00
  21    0.691878E-05    0.397909E+03 -0.173879E-07 0.100000E-04    0.997095E+00
  22    0.284471E-05    0.388781E+03 -0.731698E-08 0.100000E-04    0.985724E+00
  23   -0.978424E-06    0.367281E+03  0.266396E-08 0.100000E-04    0.995837E+00
  24    0.984360E-06    0.362760E+03 -0.271353E-08 0.100000E-04    0.980040E+00
  25   -0.141614E-04    0.351668E+03  0.402692E-07 0.100000E-04    0.996115E+00
  26   -0.233048E-04    0.339107E+03  0.687238E-07 0.100000E-04    0.995330E+00
  27   -0.115524E-04    0.324869E+03  0.355601E-07 0.100000E-04    0.996186E+00
  28    0.193610E-05    0.321642E+03 -0.601942E-08 0.100000E-04    0.945493E+00
  29    0.665569E-06    0.319111E+03 -0.208570E-08 0.100000E-04    0.893739E+00
  30   -0.197958E-04    0.315667E+03  0.627111E-07 0.100000E-04    0.997355E+00
  31   -0.657193E-05    0.304909E+03  0.215537E-07 0.100000E-04    0.993877E+00
  32   -0.275562E-05    0.287783E+03  0.957533E-08 0.100000E-04    0.987248E+00
  33    0.772749E-05    0.279383E+03 -0.276592E-07 0.100000E-04    0.993392E+00
  34    0.471912E-05    0.270877E+03 -0.174217E-07 0.100000E-04    0.989887E+00
  35    0.203198E-04    0.266031E+03 -0.763812E-07 0.100000E-04    0.998117E+00
  36    0.806060E-05    0.263231E+03 -0.306217E-07 0.100000E-04    0.990798E+00
  37   -0.111874E-04    0.258376E+03  0.432989E-07 0.100000E-04    0.994590E+00
  38   -0.368484E-05    0.253648E+03  0.145274E-07 0.100000E-04    0.996501E+00
  39   -0.149005E-04    0.242829E+03  0.613623E-07 0.100000E-04    0.996334E+00
  40    0.981151E-05    0.237992E+03 -0.412262E-07 0.100000E-04    0.995907E+00
  41    0.187807E-04    0.235540E+03 -0.797345E-07 0.100000E-04    0.989817E+00
  42   -0.598869E-05    0.228706E+03  0.261851E-07 0.100000E-04    0.994484E+00
  43    0.616567E-05    0.222417E+03 -0.277212E-07 0.100000E-04    0.993088E+00
  44   -0.117592E-04    0.212957E+03  0.552188E-07 0.100000E-04    0.994410E+00
  45    0.279284E-05    0.211732E+03 -0.131904E-07 0.100000E-04    0.995893E+00
  46    0.131447E-04    0.208393E+03 -0.630765E-07 0.100000E-04    0.995046E+00
  47   -0.239422E-04    0.203264E+03  0.117789E-06 0.100000E-04    0.997404E+00
  48    0.150557E-05    0.198069E+03 -0.760122E-08 0.100000E-04    0.982833E+00
  49   -0.153173E-04    0.195512E+03  0.783441E-07 0.100000E-04    0.996265E+00
  50   -0.831127E-05    0.191605E+03  0.433772E-07 0.100000E-04    0.991713E+00
  51   -0.101793E-04    0.185409E+03  0.549017E-07 0.100000E-04    0.996883E+00
  52    0.524860E-06    0.176471E+03 -0.297421E-08 0.100000E-04    0.989206E+00
  53   -0.881308E-05    0.171181E+03  0.514839E-07 0.100000E-04    0.996486E+00
  54   -0.827059E-05    0.167760E+03  0.493001E-07 0.100000E-04    0.993966E+00
  55    0.167992E-04    0.165556E+03 -0.101471E-06 0.100000E-04    0.997705E+00
  56   -0.544095E-05    0.159984E+03  0.340093E-07 0.100000E-04    0.995070E+00
  57   -0.456426E-05    0.153530E+03  0.297288E-07 0.100000E-04    0.991924E+00
  58   -0.160186E-04    0.150962E+03  0.106110E-06 0.100000E-04    0.994435E+00
  59    0.572673E-05    0.149133E+03 -0.384001E-07 0.100000E-04    0.989102E+00
  60    0.156545E-04    0.142982E+03 -0.109486E-06 0.100000E-04    0.997841E+00
  61   -0.141220E-04    0.136961E+03  0.103110E-06 0.100000E-04    0.991540E+00
  62   -0.290309E-04    0.135324E+03  0.214530E-06 0.100000E-04    0.997163E+00
  63   -0.198282E-04    0.130856E+03  0.151527E-06 0.100000E-04    0.995249E+00
  64   -0.105908E-04    0.127694E+03  0.829385E-07 0.100000E-04    0.990656E+00
  65   -0.278375E-06    0.126047E+03  0.220850E-08 0.100000E-04    0.810385E+00
  66    0.228803E-04    0.125312E+03 -0.182587E-06 0.100000E-04    0.995528E+00
  67   -0.252451E-05    0.119538E+03  0.211188E-07 0.100000E-04    0.997945E+00
  68    0.708686E-05    0.117975E+03 -0.600707E-07 0.100000E-04    0.994700E+00
  69   -0.252367E-05    0.116785E+03  0.216097E-07 0.100000E-04    0.982631E+00
  70   -0.160220E-04    0.111761E+03  0.143359E-06 0.100000E-04    0.996451E+00
  71   -0.247006E-05    0.109003E+03  0.226604E-07 0.100000E-04    0.987136E+00
  72    0.344393E-04    0.105121E+03 -0.327616E-06 0.100000E-04    0.993258E+00
  73   -0.172779E-04    0.102946E+03  0.167834E-06 0.100000E-04    0.994218E+00
  74    0.288074E-04    0.100029E+03 -0.287990E-06 0.100000E-04    0.997181E+00
  75   -0.351227E-04    0.967617E+02  0.362981E-06 0.100000E-04    0.992927E+00
  76   -0.277145E-04    0.951238E+02  0.291352E-06 0.100000E-04    0.998477E+00
  77   -0.559959E-04    0.915782E+02  0.611454E-06 0.100000E-04    0.997468E+00
  78    0.174766E-05    0.906106E+02 -0.192876E-07 0.100000E-04    0.993189E+00
  79   -0.260904E-04    0.894573E+02  0.291652E-06 0.100000E-04    0.995921E+00
  80   -0.159716E-04    0.846845E+02  0.188601E-06 0.100000E-04    0.996475E+00
  81   -0.156971E-04    0.809051E+02  0.194019E-06 0.100000E-04    0.995742E+00
  82    0.116430E-04    0.795064E+02 -0.146441E-06 0.100000E-04    0.995702E+00
  83    0.123098E-04    0.784598E+02 -0.156894E-06 0.100000E-04    0.999944E+00
  84   -0.243026E-04    0.727545E+02  0.334035E-06 0.100000E-04    0.992567E+00
  85    0.357050E-04    0.717368E+02 -0.497723E-06 0.100000E-04    0.994690E+00
  86    0.293796E-04    0.683903E+02 -0.429588E-06 0.100000E-04    0.990122E+00
  87   -0.246085E-04    0.677808E+02  0.363059E-06 0.100000E-04    0.980753E+00
  88    0.856689E-06    0.633847E+02 -0.135157E-07 0.100000E-04    0.997566E+00
  89    0.416742E-04    0.612351E+02 -0.680560E-06 0.100000E-04    0.995607E+00
  90   -0.200077E-04    0.596567E+02  0.335381E-06 0.100000E-04    0.991627E+00
  91   -0.758013E-06    0.589073E+02  0.128679E-07 0.100000E-04    0.992813E+00
  92   -0.501746E-04    0.559230E+02  0.897209E-06 0.100000E-04    0.997394E+00
  93   -0.386232E-04    0.532338E+02  0.725539E-06 0.100000E-04    0.998270E+00
  94   -0.317984E-04    0.522271E+02  0.608848E-06 0.100000E-04    0.993450E+00
  95    0.332912E-04    0.502293E+02 -0.662784E-06 0.100000E-04    0.999450E+00
  96    0.110278E-04    0.478799E+02 -0.230321E-06 0.100000E-04    0.995586E+00
  97    0.324620E-04    0.431410E+02 -0.752463E-06 0.100000E-04    0.993997E+00
  98    0.256239E-04    0.401239E+02 -0.638618E-06 0.100000E-04    0.994214E+00
  99    0.847317E-04    0.370283E+02 -0.228829E-05 0.100000E-04    0.991806E+00
 100   -0.883510E-05    0.358005E+02  0.246787E-06 0.100000E-04    0.955688E+00
 101    0.118492E-03    0.356215E+02 -0.332640E-05 0.100000E-04    0.999677E+00
 102   -0.749819E-04    0.288905E+02  0.259538E-05 0.100000E-04    0.994382E+00
 103   -0.292795E-04    0.287458E+02  0.101857E-05 0.100000E-04    0.995983E+00
 104    0.475994E-04    0.284145E+02 -0.167518E-05 0.100000E-04    0.989908E+00
 105   -0.402799E-04    0.229654E+02  0.175393E-05 0.100000E-04    0.995109E+00
 106    0.222938E-05    0.218879E+02 -0.101855E-06 0.100000E-04    0.720170E+00
 107    0.126541E-03    0.198776E+02 -0.636602E-05 0.100000E-04    0.999191E+00
 108    0.478955E-04    0.168137E+02 -0.284860E-05 0.100000E-04    0.985799E+00
 109    0.762522E-04    0.137722E+02 -0.553666E-05 0.100000E-04    0.999968E+00
 110    0.668700E-03    0.123267E+02 -0.100000E-04 0.100000E-04    0.781419E+00
 111   -0.280272E-02    0.101603E+02  0.100000E-04 0.100000E-04    0.513763E+00
 112    0.357084E-04    0.959864E+01 -0.372015E-05 0.100000E-04    0.959060E+00
 113   -0.122878E-01    0.755853E+01  0.126882E-04 0.126882E-04    0.996938E-01
 114   -0.456692E+00    0.466439E+01 -0.400000E-03 0.400000E-03    0.278714E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9698920053E-01

 Beginning of optimization cycle  220.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3809681225
 potential> RMS force:                                               0.0429637593   |gradient|=.4587274196    
 Eigenvalues of the Hessian matrix:
   726.70260    672.40668    625.52820    604.48644    589.21691    566.97612 
   565.66884    480.35897    467.57188    462.15642    441.32798    430.55826 
   421.25490    406.97762    397.90499    388.78356    367.28553    362.75030 
   351.66062    339.07428    324.87591    321.63916    319.12492    315.63906 
   304.90350    287.78860    279.37706    270.87293    266.03627    263.24141 
   258.38488    253.65077    242.82193    237.98169    235.54806    228.70664 
   222.39761    212.96294    211.73694    208.38120    203.26693    198.06478 
   195.51183    191.60443    185.39945    176.45711    171.18702    167.75626 
   165.55345    159.97684    153.53216    150.96229    149.13385    142.98507 
   136.96135    135.32895    130.85411    127.69571    126.04835    125.31683 
   119.53993    117.97584    116.78722    111.75393    108.99221    105.11740 
   102.94776    100.02596     96.75473     95.12386     91.58895     90.60545 
    89.46582     84.68691     80.90537     79.50956     78.45789     72.75337 
    71.74054     68.38584     67.77534     63.38410     61.22513     59.65697 
    58.90950     55.92429     53.22946     52.22719     50.22795     47.87808 
    43.13742     40.12620     37.02978     35.79196     35.62800     28.88938 
    28.74536     28.40623     22.96348     21.88579     19.88180     16.81420 
    13.77206     12.32547     10.14941      9.59887      7.55694      4.66159 
overlap for current and previous eigenvector    109 is        -0.9999991346
overlap for current and previous eigenvector    110 is        -0.9999990356
overlap for current and previous eigenvector    111 is        -0.9999634687
overlap for current and previous eigenvector    112 is        -0.9999648967
overlap for current and previous eigenvector    113 is        -0.9999976831
overlap for current and previous eigenvector    114 is        -0.9999996228
J1,K1,R1,R2,RAT=   7   7   -0.1213994954E-01     2.011973360        0.9878600505    
FOB,PFOB,DIAG,PSTEP=   -0.1484446807E-05   -0.1466640383E-05     726.7025997        0.2018380776E-08
J1,K1,R1,R2,RAT=   8   8   -0.1134195868E-01     2.011303986        0.9886580413    
FOB,PFOB,DIAG,PSTEP=   -0.2641336031E-05   -0.2611713522E-05     672.4066847        0.3884201583E-08
J1,K1,R1,R2,RAT=   9   9    0.2428257424E-02     1.997525399        0.9975253992    
FOB,PFOB,DIAG,PSTEP=    0.6766620440E-06    0.6783091915E-06     625.5281974       -0.1084403409E-08
J1,K1,R1,R2,RAT=  10  10    0.5126118036E-02     1.994865150        0.9948651497    
FOB,PFOB,DIAG,PSTEP=    0.1637260129E-05    0.1645696199E-05     604.4864385       -0.2722481895E-08
J1,K1,R1,R2,RAT=  11  11    0.1733168675E-02     1.998290816        0.9982668313    
FOB,PFOB,DIAG,PSTEP=   -0.1117685311E-05   -0.1119625788E-05     589.2169123        0.1900170105E-08
J1,K1,R1,R2,RAT= 109 109     2.001142634       -0.1117717330E-02    0.9988822827    
FOB,PFOB,DIAG,PSTEP=   -0.7633742511E-04    0.7625219777E-04     13.77206075       -0.5536662176E-05
J1,K1,R1,R2,RAT= 110 110     11.06999901       -0.2193038641        0.7806961359    
FOB,PFOB,DIAG,PSTEP=   -0.6957300177E-03    0.6686997780E-03     12.32547351       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     55.72855503       -0.4992950887        0.5007049113    
FOB,PFOB,DIAG,PSTEP=    0.2853398213E-02   -0.2802722695E-02     10.14941246        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.077829350       -0.7787659066E-01    0.9221234093    
FOB,PFOB,DIAG,PSTEP=   -0.3848935330E-04    0.3570843633E-04     9.598870437       -0.3720154370E-05
J1,K1,R1,R2,RAT= 113 113     257.0518780       -0.7479955465        0.2520044535    
FOB,PFOB,DIAG,PSTEP=    0.1235948359E-01   -0.1228776254E-01     7.556941163        0.1268824570E-04
J1,K1,R1,R2,RAT= 114 114    -490.8431881        0.9971885242        0.2811475763E-02
FOB,PFOB,DIAG,PSTEP=    0.4585513875       -0.4566919949         4.661587471       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001      0.00001 
     0.00002     -0.00001      0.00000     -0.00002     -0.00001      0.00002 
     0.00001      0.00003      0.00002     -0.00001      0.00000     -0.00002 
     0.00000      0.00001     -0.00000     -0.00002      0.00000      0.00003 
    -0.00002      0.00003     -0.00004      0.00003     -0.00006      0.00000 
     0.00003      0.00002      0.00002     -0.00001     -0.00001     -0.00002 
    -0.00004      0.00003      0.00003      0.00000     -0.00004      0.00002 
     0.00000     -0.00005     -0.00004      0.00003     -0.00003     -0.00001 
    -0.00003     -0.00003     -0.00009      0.00001      0.00012      0.00008 
     0.00003     -0.00005     -0.00004      0.00000      0.00013      0.00005 
    -0.00008     -0.00070      0.00285     -0.00004      0.01236      0.45855 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4374061641
 Log product of positive Hessian eigenvalues =          520.1749702066
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6615874712
 Unscaled step for mode    7=        0.0000000020
 Unscaled step for mode    8=        0.0000000039
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000040
 Unscaled step for mode   13=        0.0000000038
 Unscaled step for mode   14=        0.0000000104
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000075
 Unscaled step for mode   17=       -0.0000000066
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000274
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000174
 Unscaled step for mode   22=       -0.0000000074
 Unscaled step for mode   23=        0.0000000026
 Unscaled step for mode   24=       -0.0000000027
 Unscaled step for mode   25=        0.0000000404
 Unscaled step for mode   26=        0.0000000690
 Unscaled step for mode   27=        0.0000000357
 Unscaled step for mode   28=       -0.0000000063
 Unscaled step for mode   29=       -0.0000000022
 Unscaled step for mode   30=        0.0000000630
 Unscaled step for mode   31=        0.0000000218
 Unscaled step for mode   32=        0.0000000097
 Unscaled step for mode   33=       -0.0000000277
 Unscaled step for mode   34=       -0.0000000175
 Unscaled step for mode   35=       -0.0000000767
 Unscaled step for mode   36=       -0.0000000309
 Unscaled step for mode   37=        0.0000000435
 Unscaled step for mode   38=        0.0000000145
 Unscaled step for mode   39=        0.0000000615
 Unscaled step for mode   40=       -0.0000000411
 Unscaled step for mode   41=       -0.0000000806
 Unscaled step for mode   42=        0.0000000264
 Unscaled step for mode   43=       -0.0000000280
 Unscaled step for mode   44=        0.0000000558
 Unscaled step for mode   45=       -0.0000000130
 Unscaled step for mode   46=       -0.0000000635
 Unscaled step for mode   47=        0.0000001183
 Unscaled step for mode   48=       -0.0000000077
 Unscaled step for mode   49=        0.0000000789
 Unscaled step for mode   50=        0.0000000433
 Unscaled step for mode   51=        0.0000000553
 Unscaled step for mode   52=       -0.0000000031
 Unscaled step for mode   53=        0.0000000517
 Unscaled step for mode   54=       -0.0000000498
 Unscaled step for mode   55=       -0.0000001018
 Unscaled step for mode   56=        0.0000000340
 Unscaled step for mode   57=       -0.0000000299
 Unscaled step for mode   58=        0.0000001066
 Unscaled step for mode   59=        0.0000000382
 Unscaled step for mode   60=       -0.0000001100
 Unscaled step for mode   61=       -0.0000001036
 Unscaled step for mode   62=       -0.0000002148
 Unscaled step for mode   63=       -0.0000001517
 Unscaled step for mode   64=        0.0000000838
 Unscaled step for mode   65=       -0.0000000023
 Unscaled step for mode   66=        0.0000001830
 Unscaled step for mode   67=       -0.0000000215
 Unscaled step for mode   68=       -0.0000000603
 Unscaled step for mode   69=        0.0000000217
 Unscaled step for mode   70=        0.0000001445
 Unscaled step for mode   71=       -0.0000000230
 Unscaled step for mode   72=       -0.0000003290
 Unscaled step for mode   73=        0.0000001689
 Unscaled step for mode   74=       -0.0000002881
 Unscaled step for mode   75=        0.0000003658
 Unscaled step for mode   76=       -0.0000002920
 Unscaled step for mode   77=        0.0000006134
 Unscaled step for mode   78=       -0.0000000189
 Unscaled step for mode   79=       -0.0000002894
 Unscaled step for mode   80=       -0.0000001895
 Unscaled step for mode   81=       -0.0000001947
 Unscaled step for mode   82=        0.0000001450
 Unscaled step for mode   83=        0.0000001579
 Unscaled step for mode   84=        0.0000003352
 Unscaled step for mode   85=        0.0000004984
 Unscaled step for mode   86=       -0.0000004246
 Unscaled step for mode   87=       -0.0000003700
 Unscaled step for mode   88=       -0.0000000125
 Unscaled step for mode   89=        0.0000006827
 Unscaled step for mode   90=       -0.0000003355
 Unscaled step for mode   91=       -0.0000000128
 Unscaled step for mode   92=        0.0000009006
 Unscaled step for mode   93=        0.0000007243
 Unscaled step for mode   94=       -0.0000006108
 Unscaled step for mode   95=        0.0000006609
 Unscaled step for mode   96=        0.0000002311
 Unscaled step for mode   97=        0.0000007528
 Unscaled step for mode   98=        0.0000006414
 Unscaled step for mode   99=        0.0000022970
 Unscaled step for mode  100=       -0.0000002398
 Unscaled step for mode  101=       -0.0000033238
 Unscaled step for mode  102=       -0.0000026023
 Unscaled step for mode  103=       -0.0000010090
 Unscaled step for mode  104=        0.0000016805
 Unscaled step for mode  105=        0.0000017603
 Unscaled step for mode  106=       -0.0000000906
 Unscaled step for mode  107=       -0.0000063614
 Unscaled step for mode  108=       -0.0000028315
 Unscaled step for mode  109=        0.0000055429
 Unscaled step for mode  110=        0.0000564465
 Unscaled step for mode  111=       -0.0002811392
 Unscaled step for mode  112=        0.0000040098
 Unscaled step for mode  113=       -0.0016355097
 Unscaled step for mode  114=        0.0974342251
 Largest modulus ratio of non-zero e/values=           155.8916580    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.598913E-15    0.101889E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.559665E-15    0.100739E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.964506E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.689553E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.686241E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.340521E-15    0.973713E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.148445E-05    0.726703E+03  0.204272E-08 0.100000E-04    0.987860E+00
   8   -0.264134E-05    0.672407E+03  0.392818E-08 0.100000E-04    0.988658E+00
   9    0.676662E-06    0.625528E+03 -0.108175E-08 0.100000E-04    0.997525E+00
  10    0.163726E-05    0.604486E+03 -0.270851E-08 0.100000E-04    0.994865E+00
  11   -0.111769E-05    0.589217E+03  0.189690E-08 0.100000E-04    0.998267E+00
  12    0.224517E-05    0.566976E+03 -0.395991E-08 0.100000E-04    0.979717E+00
  13   -0.214157E-05    0.565669E+03  0.378591E-08 0.100000E-04    0.976977E+00
  14   -0.500197E-05    0.480359E+03  0.104130E-07 0.100000E-04    0.995002E+00
  15    0.185059E-05    0.467572E+03 -0.395787E-08 0.100000E-04    0.995847E+00
  16    0.346349E-05    0.462156E+03 -0.749420E-08 0.100000E-04    0.995193E+00
  17    0.291489E-05    0.441328E+03 -0.660482E-08 0.100000E-04    0.999029E+00
  18    0.451473E-05    0.430558E+03 -0.104858E-07 0.100000E-04    0.998466E+00
  19   -0.115509E-04    0.421255E+03  0.274203E-07 0.100000E-04    0.996732E+00
  20    0.893072E-05    0.406978E+03 -0.219440E-07 0.100000E-04    0.998160E+00
  21    0.692397E-05    0.397905E+03 -0.174011E-07 0.100000E-04    0.999250E+00
  22    0.287914E-05    0.388784E+03 -0.740550E-08 0.100000E-04    0.987897E+00
  23   -0.956194E-06    0.367286E+03  0.260341E-08 0.100000E-04    0.977257E+00
  24    0.964425E-06    0.362750E+03 -0.265865E-08 0.100000E-04    0.979748E+00
  25   -0.142159E-04    0.351661E+03  0.404249E-07 0.100000E-04    0.996154E+00
  26   -0.234011E-04    0.339074E+03  0.690146E-07 0.100000E-04    0.995867E+00
  27   -0.116063E-04    0.324876E+03  0.357254E-07 0.100000E-04    0.995330E+00
  28    0.202919E-05    0.321639E+03 -0.630889E-08 0.100000E-04    0.951919E+00
  29    0.705482E-06    0.319125E+03 -0.221068E-08 0.100000E-04    0.940034E+00
  30   -0.198832E-04    0.315639E+03  0.629933E-07 0.100000E-04    0.995587E+00
  31   -0.664150E-05    0.304903E+03  0.217823E-07 0.100000E-04    0.989414E+00
  32   -0.278287E-05    0.287789E+03  0.966983E-08 0.100000E-04    0.990111E+00
  33    0.775249E-05    0.279377E+03 -0.277492E-07 0.100000E-04    0.996765E+00
  34    0.474440E-05    0.270873E+03 -0.175152E-07 0.100000E-04    0.994644E+00
  35    0.203921E-04    0.266036E+03 -0.766516E-07 0.100000E-04    0.996439E+00
  36    0.813833E-05    0.263241E+03 -0.309159E-07 0.100000E-04    0.990357E+00
  37   -0.112465E-04    0.258385E+03  0.435261E-07 0.100000E-04    0.994718E+00
  38   -0.368349E-05    0.253651E+03  0.145219E-07 0.100000E-04    0.999612E+00
  39   -0.149390E-04    0.242822E+03  0.615223E-07 0.100000E-04    0.997420E+00
  40    0.978650E-05    0.237982E+03 -0.411229E-07 0.100000E-04    0.997451E+00
  41    0.189849E-04    0.235548E+03 -0.805989E-07 0.100000E-04    0.989127E+00
  42   -0.603907E-05    0.228707E+03  0.264053E-07 0.100000E-04    0.991589E+00
  43    0.623513E-05    0.222398E+03 -0.280360E-07 0.100000E-04    0.988734E+00
  44   -0.118933E-04    0.212963E+03  0.558470E-07 0.100000E-04    0.988595E+00
  45    0.274743E-05    0.211737E+03 -0.129757E-07 0.100000E-04    0.983698E+00
  46    0.132384E-04    0.208381E+03 -0.635295E-07 0.100000E-04    0.992877E+00
  47   -0.240465E-04    0.203267E+03  0.118300E-06 0.100000E-04    0.995643E+00
  48    0.153358E-05    0.198065E+03 -0.774280E-08 0.100000E-04    0.981395E+00
  49   -0.154180E-04    0.195512E+03  0.788597E-07 0.100000E-04    0.993423E+00
  50   -0.829087E-05    0.191604E+03  0.432708E-07 0.100000E-04    0.997545E+00
  51   -0.102468E-04    0.185399E+03  0.552687E-07 0.100000E-04    0.993368E+00
  52    0.546011E-06    0.176457E+03 -0.309430E-08 0.100000E-04    0.959700E+00
  53   -0.884431E-05    0.171187E+03  0.516646E-07 0.100000E-04    0.996456E+00
  54    0.835026E-05    0.167756E+03 -0.497762E-07 0.100000E-04    0.990366E+00
  55    0.168509E-04    0.165553E+03 -0.101785E-06 0.100000E-04    0.996923E+00
  56   -0.544409E-05    0.159977E+03  0.340305E-07 0.100000E-04    0.999423E+00
  57    0.459772E-05    0.153532E+03 -0.299463E-07 0.100000E-04    0.992669E+00
  58   -0.160974E-04    0.150962E+03  0.106632E-06 0.100000E-04    0.995081E+00
  59   -0.569913E-05    0.149134E+03  0.382149E-07 0.100000E-04    0.995171E+00
  60    0.157293E-04    0.142985E+03 -0.110007E-06 0.100000E-04    0.995222E+00
  61    0.141859E-04    0.136961E+03 -0.103576E-06 0.100000E-04    0.995474E+00
  62    0.290713E-04    0.135329E+03 -0.214819E-06 0.100000E-04    0.998610E+00
  63    0.198449E-04    0.130854E+03 -0.151656E-06 0.100000E-04    0.999159E+00
  64   -0.107023E-04    0.127696E+03  0.838111E-07 0.100000E-04    0.989467E+00
  65    0.292257E-06    0.126048E+03 -0.231861E-08 0.100000E-04    0.950131E+00
  66   -0.229276E-04    0.125317E+03  0.182957E-06 0.100000E-04    0.997933E+00
  67    0.257013E-05    0.119540E+03 -0.215002E-07 0.100000E-04    0.981931E+00
  68    0.710875E-05    0.117976E+03 -0.602560E-07 0.100000E-04    0.996910E+00
  69   -0.253785E-05    0.116787E+03  0.217305E-07 0.100000E-04    0.994385E+00
  70   -0.161481E-04    0.111754E+03  0.144497E-06 0.100000E-04    0.992131E+00
  71    0.250233E-05    0.108992E+03 -0.229588E-07 0.100000E-04    0.986933E+00
  72    0.345874E-04    0.105117E+03 -0.329036E-06 0.100000E-04    0.995700E+00
  73   -0.173851E-04    0.102948E+03  0.168873E-06 0.100000E-04    0.993792E+00
  74    0.288133E-04    0.100026E+03 -0.288058E-06 0.100000E-04    0.999795E+00
  75   -0.353973E-04    0.967547E+02  0.365846E-06 0.100000E-04    0.992179E+00
  76    0.277757E-04    0.951239E+02 -0.291996E-06 0.100000E-04    0.997790E+00
  77   -0.561791E-04    0.915889E+02  0.613383E-06 0.100000E-04    0.996728E+00
  78    0.171338E-05    0.906054E+02 -0.189103E-07 0.100000E-04    0.980381E+00
  79    0.258955E-04    0.894658E+02 -0.289445E-06 0.100000E-04    0.992337E+00
  80    0.160490E-04    0.846869E+02 -0.189510E-06 0.100000E-04    0.995156E+00
  81    0.157495E-04    0.809054E+02 -0.194666E-06 0.100000E-04    0.996659E+00
  82   -0.115254E-04    0.795096E+02  0.144956E-06 0.100000E-04    0.989823E+00
  83   -0.123861E-04    0.784579E+02  0.157869E-06 0.100000E-04    0.993807E+00
  84   -0.243895E-04    0.727534E+02  0.335236E-06 0.100000E-04    0.996422E+00
  85   -0.357565E-04    0.717405E+02  0.498414E-06 0.100000E-04    0.998558E+00
  86    0.290365E-04    0.683858E+02 -0.424597E-06 0.100000E-04    0.988318E+00
  87    0.250756E-04    0.677753E+02 -0.369982E-06 0.100000E-04    0.981014E+00
  88    0.795287E-06    0.633841E+02 -0.125471E-07 0.100000E-04    0.928326E+00
  89   -0.417978E-04    0.612251E+02  0.682690E-06 0.100000E-04    0.997034E+00
  90    0.200137E-04    0.596570E+02 -0.335480E-06 0.100000E-04    0.999700E+00
  91    0.753643E-06    0.589095E+02 -0.127932E-07 0.100000E-04    0.994160E+00
  92   -0.503633E-04    0.559243E+02  0.900562E-06 0.100000E-04    0.996239E+00
  93   -0.385547E-04    0.532295E+02  0.724311E-06 0.100000E-04    0.998225E+00
  94    0.318999E-04    0.522272E+02 -0.610790E-06 0.100000E-04    0.996809E+00
  95   -0.331960E-04    0.502280E+02  0.660907E-06 0.100000E-04    0.997142E+00
  96   -0.110656E-04    0.478781E+02  0.231120E-06 0.100000E-04    0.996568E+00
  97   -0.324746E-04    0.431374E+02  0.752818E-06 0.100000E-04    0.999610E+00
  98   -0.257372E-04    0.401262E+02  0.641408E-06 0.100000E-04    0.995575E+00
  99   -0.850563E-04    0.370298E+02  0.229697E-05 0.100000E-04    0.996168E+00
 100    0.858327E-05    0.357920E+02 -0.239810E-06 0.100000E-04    0.971490E+00
 101    0.118422E-03    0.356280E+02 -0.332384E-05 0.100000E-04    0.999049E+00
 102    0.751780E-04    0.288894E+02 -0.260227E-05 0.100000E-04    0.997385E+00
 103    0.290029E-04    0.287454E+02 -0.100896E-05 0.100000E-04    0.990554E+00
 104   -0.477363E-04    0.284062E+02  0.168049E-05 0.100000E-04    0.997123E+00
 105   -0.404226E-04    0.229635E+02  0.176030E-05 0.100000E-04    0.996456E+00
 106    0.198279E-05    0.218858E+02 -0.905970E-07 0.100000E-04    0.889379E+00
 107    0.126476E-03    0.198818E+02 -0.636139E-05 0.100000E-04    0.999063E+00
 108    0.476102E-04    0.168142E+02 -0.283154E-05 0.100000E-04    0.993986E+00
 109   -0.763374E-04    0.137721E+02  0.554292E-05 0.100000E-04    0.998882E+00
 110   -0.695730E-03    0.123255E+02  0.100000E-04 0.100000E-04    0.780696E+00
 111    0.285340E-02    0.101494E+02 -0.100000E-04 0.100000E-04    0.500705E+00
 112   -0.384894E-04    0.959887E+01  0.400978E-05 0.100000E-04    0.922123E+00
 113    0.123595E-01    0.755694E+01 -0.114309E-04 0.114309E-04    0.252004E+00
 114    0.458551E+00    0.466159E+01  0.400000E-03 0.400000E-03    0.281148E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9743422507E-01

 Beginning of optimization cycle  221.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3807845057
 potential> RMS force:                                               0.0431379708   |gradient|=.4605874899    
 Eigenvalues of the Hessian matrix:
   726.76317    672.41955    625.54269    604.48883    589.20992    567.01187 
   565.68923    480.38049    467.54897    462.14748    441.32776    430.54947 
   421.26142    406.98792    397.90085    388.78558    367.28970    362.74069 
   351.65292    339.04125    324.88320    321.63664    319.13881    315.61108 
   304.89759    287.79426    279.37154    270.86908    266.04176    263.25145 
   258.39326    253.65352    242.81532    237.97160    235.55563    228.70680 
   222.37775    212.96891    211.74150    208.36902    203.27017    198.06076 
   195.51114    191.60418    185.38938    176.44348    171.19279    167.75257 
   165.55083    159.96961    153.53420    150.96282    149.13442    142.98800 
   136.96192    135.33428    130.85250    127.69718    126.04935    125.32177 
   119.54152    117.97648    116.78989    111.74674    108.98122    105.11388 
   102.94932    100.02270     96.74769     95.12394     91.59969     90.60032 
    89.47430     84.68932     80.90560     79.51271     78.45603     72.75225 
    71.74437     68.38160     67.76966     63.38352     61.21517     59.65721 
    58.91172     55.92560     53.22513     52.22727     50.22664     47.87622 
    43.13386     40.12848     37.03133     35.78341     35.63450     28.88825 
    28.74493     28.39794     22.96153     21.88366     19.88603     16.81466 
    13.77190     12.32425     10.13862      9.59901      7.55533      4.65876 
overlap for current and previous eigenvector    109 is         0.9999991446
overlap for current and previous eigenvector    110 is        -0.9999990450
overlap for current and previous eigenvector    111 is        -0.9999608338
overlap for current and previous eigenvector    112 is        -0.9999622136
overlap for current and previous eigenvector    113 is        -0.9999976528
overlap for current and previous eigenvector    114 is        -0.9999996249
J1,K1,R1,R2,RAT=   7   7   -0.1390109398E-01     2.013734420        0.9860989060    
FOB,PFOB,DIAG,PSTEP=   -0.1505083961E-05   -0.1484446807E-05     726.7631660        0.2042715696E-08
J1,K1,R1,R2,RAT=   8   8   -0.1182073167E-02     2.001143797        0.9988179268    
FOB,PFOB,DIAG,PSTEP=   -0.2644458343E-05   -0.2641336031E-05     672.4195537        0.3928182291E-08
J1,K1,R1,R2,RAT=   9   9    0.1229153180E-01     1.987662122        0.9876621220    
FOB,PFOB,DIAG,PSTEP=    0.6683446382E-06    0.6766620440E-06     625.5426932       -0.1081745070E-08
J1,K1,R1,R2,RAT=  10  10   -0.8841276859E-02     2.008833348        0.9911587231    
FOB,PFOB,DIAG,PSTEP=    0.1651735657E-05    0.1637260129E-05     604.4888348       -0.2708514245E-08
J1,K1,R1,R2,RAT=  11  11   -0.2903332814E-02     2.002927066        0.9970966672    
FOB,PFOB,DIAG,PSTEP=   -0.1120930285E-05   -0.1117685311E-05     589.2099204        0.1896899576E-08
J1,K1,R1,R2,RAT= 109 109   -0.1223329461E-03     2.000146026        0.9998776671    
FOB,PFOB,DIAG,PSTEP=   -0.7634676358E-04   -0.7633742511E-04     13.77189759        0.5542919576E-05
J1,K1,R1,R2,RAT= 110 110     11.51899360       -0.2285714836        0.7714285164    
FOB,PFOB,DIAG,PSTEP=    0.7238997426E-03   -0.6957300177E-03     12.32425166        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     56.78237469       -0.4946980383        0.5053019617    
FOB,PFOB,DIAG,PSTEP=   -0.2903553792E-02    0.2853398213E-02     10.13862494       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.042645571       -0.4267566215E-01    0.9573243379    
FOB,PFOB,DIAG,PSTEP=    0.4013193665E-04   -0.3848935330E-04     9.599014859        0.4009779437E-05
J1,K1,R1,R2,RAT= 113 113     287.1537472       -0.9349858847        0.6501411526E-01
FOB,PFOB,DIAG,PSTEP=   -0.1244023262E-01    0.1235948359E-01     7.555333196       -0.1143085199E-04
J1,K1,R1,R2,RAT= 114 114    -493.1360049        0.9971800355        0.2819964492E-02
FOB,PFOB,DIAG,PSTEP=   -0.4604096367        0.4585513875         4.658760540        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00001      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002      0.00001     -0.00000      0.00002      0.00001      0.00002 
     0.00001     -0.00003      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00003 
    -0.00002      0.00003     -0.00004      0.00003     -0.00006      0.00000 
     0.00003      0.00002      0.00002     -0.00001     -0.00001      0.00002 
     0.00004      0.00003     -0.00003     -0.00000      0.00004      0.00002 
    -0.00000      0.00005     -0.00004     -0.00003      0.00003      0.00001 
     0.00003      0.00003      0.00009     -0.00001      0.00012     -0.00008 
    -0.00003      0.00005     -0.00004     -0.00000      0.00013     -0.00005 
    -0.00008      0.00072     -0.00290      0.00004     -0.01244     -0.46041 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4373520586
 Log product of positive Hessian eigenvalues =          520.1721772774
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6587605403
 Unscaled step for mode    7=        0.0000000021
 Unscaled step for mode    8=        0.0000000039
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000039
 Unscaled step for mode   13=        0.0000000038
 Unscaled step for mode   14=        0.0000000104
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000076
 Unscaled step for mode   17=       -0.0000000067
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000275
 Unscaled step for mode   20=       -0.0000000220
 Unscaled step for mode   21=       -0.0000000175
 Unscaled step for mode   22=       -0.0000000075
 Unscaled step for mode   23=        0.0000000026
 Unscaled step for mode   24=       -0.0000000026
 Unscaled step for mode   25=        0.0000000406
 Unscaled step for mode   26=        0.0000000693
 Unscaled step for mode   27=        0.0000000359
 Unscaled step for mode   28=       -0.0000000066
 Unscaled step for mode   29=       -0.0000000024
 Unscaled step for mode   30=        0.0000000632
 Unscaled step for mode   31=        0.0000000219
 Unscaled step for mode   32=        0.0000000098
 Unscaled step for mode   33=       -0.0000000279
 Unscaled step for mode   34=       -0.0000000177
 Unscaled step for mode   35=       -0.0000000768
 Unscaled step for mode   36=       -0.0000000312
 Unscaled step for mode   37=        0.0000000438
 Unscaled step for mode   38=        0.0000000145
 Unscaled step for mode   39=        0.0000000617
 Unscaled step for mode   40=       -0.0000000409
 Unscaled step for mode   41=       -0.0000000814
 Unscaled step for mode   42=        0.0000000266
 Unscaled step for mode   43=       -0.0000000282
 Unscaled step for mode   44=        0.0000000562
 Unscaled step for mode   45=       -0.0000000130
 Unscaled step for mode   46=       -0.0000000638
 Unscaled step for mode   47=        0.0000001186
 Unscaled step for mode   48=       -0.0000000079
 Unscaled step for mode   49=        0.0000000792
 Unscaled step for mode   50=        0.0000000436
 Unscaled step for mode   51=        0.0000000554
 Unscaled step for mode   52=       -0.0000000031
 Unscaled step for mode   53=        0.0000000518
 Unscaled step for mode   54=        0.0000000501
 Unscaled step for mode   55=       -0.0000001020
 Unscaled step for mode   56=       -0.0000000342
 Unscaled step for mode   57=        0.0000000302
 Unscaled step for mode   58=       -0.0000001072
 Unscaled step for mode   59=       -0.0000000378
 Unscaled step for mode   60=       -0.0000001102
 Unscaled step for mode   61=       -0.0000001044
 Unscaled step for mode   62=        0.0000002154
 Unscaled step for mode   63=       -0.0000001524
 Unscaled step for mode   64=        0.0000000846
 Unscaled step for mode   65=        0.0000000027
 Unscaled step for mode   66=       -0.0000001838
 Unscaled step for mode   67=        0.0000000215
 Unscaled step for mode   68=       -0.0000000606
 Unscaled step for mode   69=        0.0000000221
 Unscaled step for mode   70=        0.0000001450
 Unscaled step for mode   71=        0.0000000233
 Unscaled step for mode   72=        0.0000003312
 Unscaled step for mode   73=        0.0000001698
 Unscaled step for mode   74=       -0.0000002889
 Unscaled step for mode   75=        0.0000003684
 Unscaled step for mode   76=       -0.0000002924
 Unscaled step for mode   77=        0.0000006148
 Unscaled step for mode   78=       -0.0000000188
 Unscaled step for mode   79=       -0.0000002883
 Unscaled step for mode   80=       -0.0000001902
 Unscaled step for mode   81=       -0.0000001955
 Unscaled step for mode   82=        0.0000001443
 Unscaled step for mode   83=        0.0000001579
 Unscaled step for mode   84=       -0.0000003377
 Unscaled step for mode   85=       -0.0000005010
 Unscaled step for mode   86=       -0.0000004201
 Unscaled step for mode   87=        0.0000003767
 Unscaled step for mode   88=        0.0000000125
 Unscaled step for mode   89=       -0.0000006857
 Unscaled step for mode   90=       -0.0000003383
 Unscaled step for mode   91=        0.0000000129
 Unscaled step for mode   92=       -0.0000009028
 Unscaled step for mode   93=        0.0000007256
 Unscaled step for mode   94=        0.0000006147
 Unscaled step for mode   95=       -0.0000006613
 Unscaled step for mode   96=       -0.0000002301
 Unscaled step for mode   97=       -0.0000007573
 Unscaled step for mode   98=       -0.0000006451
 Unscaled step for mode   99=       -0.0000023152
 Unscaled step for mode  100=        0.0000002287
 Unscaled step for mode  101=       -0.0000033240
 Unscaled step for mode  102=        0.0000026170
 Unscaled step for mode  103=        0.0000010042
 Unscaled step for mode  104=       -0.0000016980
 Unscaled step for mode  105=        0.0000017689
 Unscaled step for mode  106=        0.0000001130
 Unscaled step for mode  107=       -0.0000063640
 Unscaled step for mode  108=        0.0000027908
 Unscaled step for mode  109=        0.0000055437
 Unscaled step for mode  110=       -0.0000587378
 Unscaled step for mode  111=        0.0002863853
 Unscaled step for mode  112=       -0.0000041808
 Unscaled step for mode  113=        0.0016465454
 Unscaled step for mode  114=       -0.0978798322
 Largest modulus ratio of non-zero e/values=           155.9992534    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.252619E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.549691E-15    0.100739E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.257471E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.698947E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.198626E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.261970E-15    0.973715E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.150508E-05    0.726763E+03  0.207094E-08 0.100000E-04    0.986099E+00
   8   -0.264446E-05    0.672420E+03  0.393275E-08 0.100000E-04    0.998818E+00
   9    0.668345E-06    0.625543E+03 -0.106842E-08 0.100000E-04    0.987662E+00
  10    0.165174E-05    0.604489E+03 -0.273245E-08 0.100000E-04    0.991159E+00
  11   -0.112093E-05    0.589210E+03  0.190243E-08 0.100000E-04    0.997097E+00
  12    0.221371E-05    0.567012E+03 -0.390417E-08 0.100000E-04    0.985860E+00
  13   -0.216020E-05    0.565689E+03  0.381870E-08 0.100000E-04    0.991304E+00
  14   -0.499207E-05    0.480380E+03  0.103919E-07 0.100000E-04    0.997932E+00
  15    0.183987E-05    0.467549E+03 -0.393514E-08 0.100000E-04    0.994209E+00
  16    0.349218E-05    0.462147E+03 -0.755642E-08 0.100000E-04    0.991717E+00
  17    0.294212E-05    0.441328E+03 -0.666651E-08 0.100000E-04    0.990661E+00
  18    0.451688E-05    0.430549E+03 -0.104910E-07 0.100000E-04    0.999524E+00
  19   -0.116036E-04    0.421261E+03  0.275448E-07 0.100000E-04    0.995444E+00
  20    0.893851E-05    0.406988E+03 -0.219626E-07 0.100000E-04    0.999128E+00
  21    0.694350E-05    0.397901E+03 -0.174503E-07 0.100000E-04    0.997179E+00
  22    0.291970E-05    0.388786E+03 -0.750980E-08 0.100000E-04    0.985912E+00
  23   -0.951733E-06    0.367290E+03  0.259123E-08 0.100000E-04    0.995312E+00
  24    0.943613E-06    0.362741E+03 -0.260134E-08 0.100000E-04    0.978420E+00
  25   -0.142705E-04    0.351653E+03  0.405811E-07 0.100000E-04    0.996159E+00
  26   -0.235094E-04    0.339041E+03  0.693409E-07 0.100000E-04    0.995370E+00
  27   -0.116502E-04    0.324883E+03  0.358595E-07 0.100000E-04    0.996224E+00
  28    0.212977E-05    0.321637E+03 -0.662166E-08 0.100000E-04    0.950431E+00
  29    0.768611E-06    0.319139E+03 -0.240839E-08 0.100000E-04    0.910520E+00
  30   -0.199345E-04    0.315611E+03  0.631616E-07 0.100000E-04    0.997418E+00
  31   -0.668225E-05    0.304898E+03  0.219164E-07 0.100000E-04    0.993863E+00
  32   -0.281828E-05    0.287794E+03  0.979270E-08 0.100000E-04    0.987274E+00
  33    0.780359E-05    0.279372E+03 -0.279326E-07 0.100000E-04    0.993409E+00
  34    0.479195E-05    0.270869E+03 -0.176910E-07 0.100000E-04    0.989976E+00
  35    0.204299E-04    0.266042E+03 -0.767920E-07 0.100000E-04    0.998148E+00
  36    0.821256E-05    0.263251E+03 -0.311966E-07 0.100000E-04    0.990880E+00
  37   -0.113069E-04    0.258393E+03  0.437583E-07 0.100000E-04    0.994633E+00
  38   -0.366995E-05    0.253654E+03  0.144684E-07 0.100000E-04    0.996303E+00
  39   -0.149932E-04    0.242815E+03  0.617474E-07 0.100000E-04    0.996368E+00
  40    0.973908E-05    0.237972E+03 -0.409254E-07 0.100000E-04    0.995154E+00
  41    0.191778E-04    0.235556E+03 -0.814150E-07 0.100000E-04    0.989842E+00
  42   -0.607282E-05    0.228707E+03  0.265529E-07 0.100000E-04    0.994410E+00
  43    0.627835E-05    0.222378E+03 -0.282328E-07 0.100000E-04    0.993068E+00
  44   -0.119600E-04    0.212969E+03  0.561584E-07 0.100000E-04    0.994396E+00
  45    0.275921E-05    0.211741E+03 -0.130311E-07 0.100000E-04    0.995711E+00
  46    0.133039E-04    0.208369E+03 -0.638480E-07 0.100000E-04    0.995046E+00
  47   -0.241080E-04    0.203270E+03  0.118601E-06 0.100000E-04    0.997441E+00
  48    0.155908E-05    0.198061E+03 -0.787174E-08 0.100000E-04    0.983367E+00
  49   -0.154751E-04    0.195511E+03  0.791520E-07 0.100000E-04    0.996296E+00
  50   -0.835859E-05    0.191604E+03  0.436243E-07 0.100000E-04    0.991832E+00
  51   -0.102784E-04    0.185389E+03  0.554422E-07 0.100000E-04    0.996915E+00
  52    0.551732E-06    0.176443E+03 -0.312696E-08 0.100000E-04    0.989521E+00
  53   -0.887509E-05    0.171193E+03  0.518426E-07 0.100000E-04    0.996520E+00
  54   -0.840024E-05    0.167753E+03  0.500752E-07 0.100000E-04    0.994015E+00
  55    0.168890E-04    0.165551E+03 -0.102017E-06 0.100000E-04    0.997741E+00
  56    0.547127E-05    0.159970E+03 -0.342020E-07 0.100000E-04    0.995006E+00
  57   -0.463422E-05    0.153534E+03  0.301836E-07 0.100000E-04    0.992062E+00
  58    0.161856E-04    0.150963E+03 -0.107216E-06 0.100000E-04    0.994521E+00
  59    0.563407E-05    0.149134E+03 -0.377785E-07 0.100000E-04    0.988578E+00
  60    0.157625E-04    0.142988E+03 -0.110236E-06 0.100000E-04    0.997892E+00
  61    0.143050E-04    0.136962E+03 -0.104445E-06 0.100000E-04    0.991607E+00
  62   -0.291521E-04    0.135334E+03  0.215408E-06 0.100000E-04    0.997220E+00
  63    0.199376E-04    0.130852E+03 -0.152367E-06 0.100000E-04    0.995329E+00
  64   -0.108012E-04    0.127697E+03  0.845841E-07 0.100000E-04    0.990766E+00
  65   -0.339100E-06    0.126049E+03  0.269022E-08 0.100000E-04    0.839722E+00
  66    0.230288E-04    0.125322E+03 -0.183758E-06 0.100000E-04    0.995585E+00
  67   -0.256568E-05    0.119542E+03  0.214627E-07 0.100000E-04    0.998245E+00
  68    0.714597E-05    0.117976E+03 -0.605712E-07 0.100000E-04    0.994764E+00
  69   -0.258084E-05    0.116790E+03  0.220981E-07 0.100000E-04    0.983060E+00
  70   -0.162054E-04    0.111747E+03  0.145019E-06 0.100000E-04    0.996450E+00
  71   -0.253427E-05    0.108981E+03  0.232542E-07 0.100000E-04    0.987235E+00
  72   -0.348189E-04    0.105114E+03  0.331250E-06 0.100000E-04    0.993306E+00
  73   -0.174841E-04    0.102949E+03  0.169832E-06 0.100000E-04    0.994308E+00
  74    0.288926E-04    0.100023E+03 -0.288861E-06 0.100000E-04    0.997246E+00
  75   -0.356467E-04    0.967477E+02  0.368450E-06 0.100000E-04    0.992955E+00
  76    0.278136E-04    0.951239E+02 -0.292393E-06 0.100000E-04    0.998636E+00
  77   -0.563157E-04    0.915997E+02  0.614803E-06 0.100000E-04    0.997569E+00
  78    0.170003E-05    0.906003E+02 -0.187641E-07 0.100000E-04    0.992212E+00
  79    0.257916E-04    0.894743E+02 -0.288257E-06 0.100000E-04    0.995800E+00
  80    0.161038E-04    0.846893E+02 -0.190151E-06 0.100000E-04    0.996588E+00
  81    0.158162E-04    0.809056E+02 -0.195490E-06 0.100000E-04    0.995768E+00
  82   -0.114742E-04    0.795127E+02  0.144306E-06 0.100000E-04    0.995478E+00
  83   -0.123848E-04    0.784560E+02  0.157856E-06 0.100000E-04    0.999896E+00
  84    0.245688E-04    0.727523E+02 -0.337705E-06 0.100000E-04    0.992651E+00
  85    0.359428E-04    0.717444E+02 -0.500984E-06 0.100000E-04    0.994790E+00
  86    0.287281E-04    0.683816E+02 -0.420114E-06 0.100000E-04    0.989379E+00
  87   -0.255302E-04    0.677697E+02  0.376721E-06 0.100000E-04    0.981869E+00
  88   -0.794600E-06    0.633835E+02  0.125364E-07 0.100000E-04    0.999136E+00
  89    0.419782E-04    0.612152E+02 -0.685748E-06 0.100000E-04    0.995684E+00
  90    0.201800E-04    0.596572E+02 -0.338266E-06 0.100000E-04    0.991694E+00
  91   -0.757905E-06    0.589117E+02  0.128651E-07 0.100000E-04    0.994344E+00
  92    0.504902E-04    0.559256E+02 -0.902811E-06 0.100000E-04    0.997480E+00
  93   -0.386195E-04    0.532251E+02  0.725587E-06 0.100000E-04    0.998320E+00
  94   -0.321066E-04    0.522273E+02  0.614747E-06 0.100000E-04    0.993520E+00
  95    0.332132E-04    0.502266E+02 -0.661266E-06 0.100000E-04    0.999482E+00
  96    0.110157E-04    0.478762E+02 -0.230086E-06 0.100000E-04    0.995487E+00
  97    0.326656E-04    0.431339E+02 -0.757308E-06 0.100000E-04    0.994120E+00
  98    0.258853E-04    0.401285E+02 -0.645061E-06 0.100000E-04    0.994247E+00
  99    0.857366E-04    0.370313E+02 -0.231524E-05 0.100000E-04    0.992003E+00
 100   -0.818256E-05    0.357834E+02  0.228669E-06 0.100000E-04    0.953303E+00
 101    0.118447E-03    0.356345E+02 -0.332396E-05 0.100000E-04    0.999784E+00
 102   -0.755998E-04    0.288883E+02  0.261697E-05 0.100000E-04    0.994389E+00
 103   -0.288651E-04    0.287449E+02  0.100418E-05 0.100000E-04    0.995249E+00
 104    0.482195E-04    0.283979E+02 -0.169799E-05 0.100000E-04    0.989874E+00
 105   -0.406157E-04    0.229615E+02  0.176886E-05 0.100000E-04    0.995221E+00
 106   -0.247394E-05    0.218837E+02  0.113050E-06 0.100000E-04    0.752267E+00
 107    0.126554E-03    0.198860E+02 -0.636395E-05 0.100000E-04    0.999385E+00
 108   -0.469261E-04    0.168147E+02  0.279078E-05 0.100000E-04    0.985578E+00
 109   -0.763468E-04    0.137719E+02  0.554366E-05 0.100000E-04    0.999878E+00
 110    0.723900E-03    0.123243E+02 -0.100000E-04 0.100000E-04    0.771429E+00
 111   -0.290355E-02    0.101386E+02  0.100000E-04 0.100000E-04    0.505302E+00
 112    0.401319E-04    0.959901E+01 -0.418084E-05 0.100000E-04    0.957324E+00
 113   -0.124402E-01    0.755533E+01  0.124596E-04 0.124596E-04    0.650141E-01
 114   -0.460410E+00    0.465876E+01 -0.400000E-03 0.400000E-03    0.281996E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9787983219E-01

 Beginning of optimization cycle  222.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3806001603
 potential> RMS force:                                               0.0433120542   |gradient|=.4624461921    
 Eigenvalues of the Hessian matrix:
   726.82371    672.43231    625.55713    604.49121    589.20282    567.04796 
   565.70929    480.40203    467.52604    462.13859    441.32757    430.54076 
   421.26794    406.99821    397.89672    388.78759    367.29392    362.73108 
   351.64530    339.00837    324.89055    321.63417    319.15266    315.58308 
   304.89166    287.79994    279.36601    270.86529    266.04734    263.26152 
   258.40178    253.65628    242.80879    237.96171    235.56308    228.70695 
   222.35789    212.97497    211.74608    208.35686    203.27343    198.05675 
   195.51045    191.60391    185.37930    176.42985    171.19857    167.74892 
   165.54817    159.96233    153.53632    150.96339    149.13486    142.99091 
   136.96250    135.33963    130.85085    127.69871    126.05030    125.32667 
   119.54311    117.97712    116.79253    111.73955    108.97020    105.11034 
   102.95089    100.01946     96.74059     95.12399     91.61048     90.59522 
    89.48271     84.69175     80.90583     79.51585     78.45417     72.75114 
    71.74818     68.37746     67.76378     63.38294     61.20517     59.65745 
    58.91391     55.92689     53.22076     52.22735     50.22532     47.87432 
    43.13033     40.13074     37.03294     35.77475     35.64093     28.88715 
    28.74450     28.38963     22.95964     21.88148     19.89026     16.81510 
    13.77174     12.32304     10.12794      9.59908      7.55368      4.65591 
overlap for current and previous eigenvector    109 is         0.9999991527
overlap for current and previous eigenvector    110 is         0.9999990562
overlap for current and previous eigenvector    111 is         0.9999579032
overlap for current and previous eigenvector    112 is        -0.9999592341
overlap for current and previous eigenvector    113 is        -0.9999976172
overlap for current and previous eigenvector    114 is         0.9999996257
J1,K1,R1,R2,RAT=   7   7   -0.1196154289E-01     2.011794947        0.9880384571    
FOB,PFOB,DIAG,PSTEP=   -0.1523088587E-05   -0.1505083961E-05     726.8237090        0.2070941445E-08
J1,K1,R1,R2,RAT=   8   8   -0.1113897597E-01     2.011101027        0.9888610240    
FOB,PFOB,DIAG,PSTEP=   -0.2673915460E-05   -0.2644458343E-05     672.4323127        0.3932750511E-08
J1,K1,R1,R2,RAT=   9   9    0.3227924630E-02     1.996725912        0.9967259124    
FOB,PFOB,DIAG,PSTEP=    0.6661872223E-06    0.6683446382E-06     625.5571320       -0.1068423699E-08
J1,K1,R1,R2,RAT=  10  10    0.5016652707E-02     1.994975489        0.9949754892    
FOB,PFOB,DIAG,PSTEP=    0.1643449440E-05    0.1651735657E-05     604.4912099       -0.2732450232E-08
J1,K1,R1,R2,RAT=  11  11    0.1915660944E-02     1.998108453        0.9980843391    
FOB,PFOB,DIAG,PSTEP=   -0.1118782989E-05   -0.1120930285E-05     589.2028164        0.1902429417E-08
J1,K1,R1,R2,RAT= 109 109   -0.1206923614E-02     2.001229748        0.9987930764    
FOB,PFOB,DIAG,PSTEP=   -0.7643890724E-04   -0.7634676358E-04     13.77174043        0.5543663323E-05
J1,K1,R1,R2,RAT= 110 110   -0.2291852473         11.97790213        0.7708147527    
FOB,PFOB,DIAG,PSTEP=    0.7521423401E-03    0.7238997426E-03     12.32304344       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5077704497         57.84528124        0.4922295503    
FOB,PFOB,DIAG,PSTEP=   -0.2954980468E-02   -0.2903553792E-02     10.12793807        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.076195182       -0.7620948540E-01    0.9237905146    
FOB,PFOB,DIAG,PSTEP=   -0.4319039276E-04    0.4013193665E-04     9.599083510       -0.4180839101E-05
J1,K1,R1,R2,RAT= 113 113     265.1397210       -0.7804319411        0.2195680589    
FOB,PFOB,DIAG,PSTEP=    0.1251368383E-01   -0.1244023262E-01     7.553684171        0.1245962866E-04
J1,K1,R1,R2,RAT= 114 114    0.9971542510        -495.4330909        0.2845748981E-02
FOB,PFOB,DIAG,PSTEP=   -0.4622667001       -0.4604096367         4.655907900       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00000      0.00002     -0.00001     -0.00002 
    -0.00001      0.00003     -0.00002     -0.00001     -0.00000     -0.00002 
     0.00000      0.00001      0.00000      0.00002      0.00000      0.00003 
     0.00002      0.00003      0.00004     -0.00003      0.00006      0.00000 
     0.00003      0.00002      0.00002     -0.00001     -0.00001      0.00002 
    -0.00004     -0.00003     -0.00003     -0.00000      0.00004     -0.00002 
    -0.00000     -0.00005      0.00004      0.00003     -0.00003      0.00001 
     0.00003      0.00003     -0.00009      0.00001      0.00012      0.00008 
     0.00003     -0.00005     -0.00004     -0.00000     -0.00013      0.00005 
    -0.00008      0.00075     -0.00295     -0.00004      0.01251     -0.46227 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4372989929
 Log product of positive Hessian eigenvalues =          520.1693673485
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6559079002
 Unscaled step for mode    7=        0.0000000021
 Unscaled step for mode    8=        0.0000000040
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000038
 Unscaled step for mode   13=        0.0000000039
 Unscaled step for mode   14=        0.0000000103
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000076
 Unscaled step for mode   17=       -0.0000000067
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000276
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000175
 Unscaled step for mode   22=       -0.0000000076
 Unscaled step for mode   23=        0.0000000025
 Unscaled step for mode   24=       -0.0000000025
 Unscaled step for mode   25=        0.0000000407
 Unscaled step for mode   26=        0.0000000696
 Unscaled step for mode   27=        0.0000000360
 Unscaled step for mode   28=       -0.0000000069
 Unscaled step for mode   29=       -0.0000000025
 Unscaled step for mode   30=        0.0000000634
 Unscaled step for mode   31=        0.0000000221
 Unscaled step for mode   32=        0.0000000099
 Unscaled step for mode   33=       -0.0000000280
 Unscaled step for mode   34=       -0.0000000178
 Unscaled step for mode   35=       -0.0000000771
 Unscaled step for mode   36=       -0.0000000315
 Unscaled step for mode   37=        0.0000000440
 Unscaled step for mode   38=        0.0000000145
 Unscaled step for mode   39=        0.0000000619
 Unscaled step for mode   40=       -0.0000000408
 Unscaled step for mode   41=       -0.0000000823
 Unscaled step for mode   42=        0.0000000268
 Unscaled step for mode   43=       -0.0000000286
 Unscaled step for mode   44=        0.0000000568
 Unscaled step for mode   45=       -0.0000000128
 Unscaled step for mode   46=       -0.0000000643
 Unscaled step for mode   47=        0.0000001191
 Unscaled step for mode   48=       -0.0000000080
 Unscaled step for mode   49=        0.0000000797
 Unscaled step for mode   50=        0.0000000435
 Unscaled step for mode   51=        0.0000000558
 Unscaled step for mode   52=       -0.0000000032
 Unscaled step for mode   53=        0.0000000520
 Unscaled step for mode   54=        0.0000000506
 Unscaled step for mode   55=       -0.0000001023
 Unscaled step for mode   56=       -0.0000000342
 Unscaled step for mode   57=       -0.0000000304
 Unscaled step for mode   58=       -0.0000001077
 Unscaled step for mode   59=        0.0000000376
 Unscaled step for mode   60=        0.0000001107
 Unscaled step for mode   61=        0.0000001049
 Unscaled step for mode   62=       -0.0000002157
 Unscaled step for mode   63=        0.0000001525
 Unscaled step for mode   64=        0.0000000855
 Unscaled step for mode   65=        0.0000000028
 Unscaled step for mode   66=        0.0000001841
 Unscaled step for mode   67=       -0.0000000218
 Unscaled step for mode   68=       -0.0000000608
 Unscaled step for mode   69=       -0.0000000222
 Unscaled step for mode   70=       -0.0000001462
 Unscaled step for mode   71=       -0.0000000236
 Unscaled step for mode   72=       -0.0000003327
 Unscaled step for mode   73=       -0.0000001709
 Unscaled step for mode   74=       -0.0000002889
 Unscaled step for mode   75=       -0.0000003713
 Unscaled step for mode   76=        0.0000002930
 Unscaled step for mode   77=       -0.0000006167
 Unscaled step for mode   78=       -0.0000000184
 Unscaled step for mode   79=       -0.0000002860
 Unscaled step for mode   80=       -0.0000001910
 Unscaled step for mode   81=       -0.0000001961
 Unscaled step for mode   82=        0.0000001428
 Unscaled step for mode   83=        0.0000001588
 Unscaled step for mode   84=       -0.0000003389
 Unscaled step for mode   85=        0.0000005017
 Unscaled step for mode   86=        0.0000004149
 Unscaled step for mode   87=        0.0000003835
 Unscaled step for mode   88=        0.0000000115
 Unscaled step for mode   89=       -0.0000006879
 Unscaled step for mode   90=        0.0000003384
 Unscaled step for mode   91=        0.0000000128
 Unscaled step for mode   92=        0.0000009061
 Unscaled step for mode   93=       -0.0000007244
 Unscaled step for mode   94=       -0.0000006167
 Unscaled step for mode   95=        0.0000006594
 Unscaled step for mode   96=       -0.0000002308
 Unscaled step for mode   97=       -0.0000007576
 Unscaled step for mode   98=       -0.0000006479
 Unscaled step for mode   99=        0.0000023238
 Unscaled step for mode  100=       -0.0000002221
 Unscaled step for mode  101=       -0.0000033211
 Unscaled step for mode  102=       -0.0000026241
 Unscaled step for mode  103=       -0.0000009940
 Unscaled step for mode  104=        0.0000017038
 Unscaled step for mode  105=        0.0000017751
 Unscaled step for mode  106=        0.0000001022
 Unscaled step for mode  107=        0.0000063584
 Unscaled step for mode  108=       -0.0000027738
 Unscaled step for mode  109=        0.0000055504
 Unscaled step for mode  110=       -0.0000610354
 Unscaled step for mode  111=        0.0002917652
 Unscaled step for mode  112=        0.0000044994
 Unscaled step for mode  113=       -0.0016566286
 Unscaled step for mode  114=       -0.0983261484
 Largest modulus ratio of non-zero e/values=           156.1078364    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.528223E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.536680E-15    0.100739E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.382680E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.114795E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.691721E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.297017E-15    0.973717E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.152309E-05    0.726824E+03  0.209554E-08 0.100000E-04    0.988038E+00
   8   -0.267392E-05    0.672432E+03  0.397648E-08 0.100000E-04    0.988861E+00
   9    0.666187E-06    0.625557E+03 -0.106495E-08 0.100000E-04    0.996726E+00
  10    0.164345E-05    0.604491E+03 -0.271873E-08 0.100000E-04    0.994975E+00
  11   -0.111878E-05    0.589203E+03  0.189881E-08 0.100000E-04    0.998084E+00
  12    0.216661E-05    0.567048E+03 -0.382087E-08 0.100000E-04    0.978599E+00
  13   -0.220597E-05    0.565709E+03  0.389948E-08 0.100000E-04    0.978812E+00
  14   -0.496698E-05    0.480402E+03  0.103392E-07 0.100000E-04    0.994883E+00
  15    0.184708E-05    0.467526E+03 -0.395076E-08 0.100000E-04    0.996079E+00
  16    0.350887E-05    0.462139E+03 -0.759267E-08 0.100000E-04    0.995221E+00
  17    0.294477E-05    0.441328E+03 -0.667254E-08 0.100000E-04    0.999096E+00
  18    0.452298E-05    0.430541E+03 -0.105054E-07 0.100000E-04    0.998648E+00
  19   -0.116411E-04    0.421268E+03  0.276336E-07 0.100000E-04    0.996761E+00
  20    0.892189E-05    0.406998E+03 -0.219212E-07 0.100000E-04    0.998090E+00
  21    0.694826E-05    0.397897E+03 -0.174625E-07 0.100000E-04    0.999315E+00
  22    0.295482E-05    0.388788E+03 -0.760009E-08 0.100000E-04    0.987971E+00
  23   -0.929087E-06    0.367294E+03  0.252955E-08 0.100000E-04    0.976183E+00
  24    0.922862E-06    0.362731E+03 -0.254420E-08 0.100000E-04    0.978009E+00
  25   -0.143246E-04    0.351645E+03  0.407358E-07 0.100000E-04    0.996209E+00
  26   -0.236057E-04    0.339008E+03  0.696316E-07 0.100000E-04    0.995904E+00
  27   -0.117038E-04    0.324891E+03  0.360239E-07 0.100000E-04    0.995393E+00
  28    0.222343E-05    0.321634E+03 -0.691291E-08 0.100000E-04    0.956023E+00
  29    0.808248E-06    0.319153E+03 -0.253248E-08 0.100000E-04    0.948433E+00
  30   -0.200208E-04    0.315583E+03  0.634405E-07 0.100000E-04    0.995673E+00
  31   -0.675221E-05    0.304892E+03  0.221462E-07 0.100000E-04    0.989531E+00
  32   -0.284642E-05    0.287800E+03  0.989028E-08 0.100000E-04    0.990016E+00
  33    0.782911E-05    0.279366E+03 -0.280245E-07 0.100000E-04    0.996730E+00
  34    0.481796E-05    0.270865E+03 -0.177873E-07 0.100000E-04    0.994573E+00
  35    0.205015E-04    0.266047E+03 -0.770597E-07 0.100000E-04    0.996493E+00
  36    0.829142E-05    0.263262E+03 -0.314950E-07 0.100000E-04    0.990398E+00
  37   -0.113660E-04    0.258402E+03  0.439858E-07 0.100000E-04    0.994769E+00
  38   -0.366760E-05    0.253656E+03  0.144589E-07 0.100000E-04    0.999337E+00
  39   -0.150316E-04    0.242809E+03  0.619073E-07 0.100000E-04    0.997437E+00
  40    0.970633E-05    0.237962E+03 -0.407895E-07 0.100000E-04    0.996637E+00
  41    0.193857E-04    0.235563E+03 -0.822952E-07 0.100000E-04    0.989157E+00
  42   -0.612414E-05    0.228707E+03  0.267772E-07 0.100000E-04    0.991550E+00
  43    0.634847E-05    0.222358E+03 -0.285507E-07 0.100000E-04    0.988830E+00
  44   -0.120942E-04    0.212975E+03  0.567870E-07 0.100000E-04    0.988779E+00
  45    0.271437E-05    0.211746E+03 -0.128190E-07 0.100000E-04    0.983706E+00
  46    0.133977E-04    0.208357E+03 -0.643019E-07 0.100000E-04    0.992950E+00
  47   -0.242114E-04    0.203273E+03  0.119107E-06 0.100000E-04    0.995714E+00
  48    0.158696E-05    0.198057E+03 -0.801265E-08 0.100000E-04    0.982119E+00
  49   -0.155757E-04    0.195510E+03  0.796667E-07 0.100000E-04    0.993502E+00
  50   -0.833807E-05    0.191604E+03  0.435172E-07 0.100000E-04    0.997544E+00
  51   -0.103454E-04    0.185379E+03  0.558068E-07 0.100000E-04    0.993478E+00
  52    0.572939E-06    0.176430E+03 -0.324740E-08 0.100000E-04    0.961560E+00
  53   -0.890589E-05    0.171199E+03  0.520208E-07 0.100000E-04    0.996530E+00
  54   -0.847994E-05    0.167749E+03  0.505514E-07 0.100000E-04    0.990512E+00
  55    0.169400E-04    0.165548E+03 -0.102327E-06 0.100000E-04    0.996980E+00
  56    0.547538E-05    0.159962E+03 -0.342292E-07 0.100000E-04    0.999249E+00
  57    0.466727E-05    0.153536E+03 -0.303985E-07 0.100000E-04    0.992868E+00
  58    0.162644E-04    0.150963E+03 -0.107738E-06 0.100000E-04    0.995132E+00
  59   -0.560380E-05    0.149135E+03  0.375754E-07 0.100000E-04    0.994620E+00
  60   -0.158357E-04    0.142991E+03  0.110747E-06 0.100000E-04    0.995352E+00
  61   -0.143697E-04    0.136962E+03  0.104917E-06 0.100000E-04    0.995480E+00
  62    0.291915E-04    0.135340E+03 -0.215691E-06 0.100000E-04    0.998650E+00
  63   -0.199538E-04    0.130851E+03  0.152493E-06 0.100000E-04    0.999187E+00
  64   -0.109133E-04    0.127699E+03  0.854610E-07 0.100000E-04    0.989621E+00
  65   -0.355784E-06    0.126050E+03  0.282256E-08 0.100000E-04    0.950800E+00
  66   -0.230759E-04    0.125327E+03  0.184126E-06 0.100000E-04    0.997958E+00
  67    0.261173E-05    0.119543E+03 -0.218476E-07 0.100000E-04    0.982055E+00
  68    0.716776E-05    0.117977E+03 -0.607555E-07 0.100000E-04    0.996951E+00
  69    0.259505E-05    0.116793E+03 -0.222193E-07 0.100000E-04    0.994492E+00
  70    0.163316E-04    0.111740E+03 -0.146158E-06 0.100000E-04    0.992210E+00
  71    0.256731E-05    0.108970E+03 -0.235597E-07 0.100000E-04    0.986964E+00
  72    0.349691E-04    0.105110E+03 -0.332689E-06 0.100000E-04    0.995688E+00
  73    0.175906E-04    0.102951E+03 -0.170864E-06 0.100000E-04    0.993907E+00
  74    0.288976E-04    0.100019E+03 -0.288920E-06 0.100000E-04    0.999827E+00
  75    0.359231E-04    0.967406E+02 -0.371335E-06 0.100000E-04    0.992245E+00
  76   -0.278703E-04    0.951240E+02  0.292989E-06 0.100000E-04    0.997961E+00
  77    0.564920E-04    0.916105E+02 -0.616654E-06 0.100000E-04    0.996870E+00
  78    0.166549E-05    0.905952E+02 -0.183838E-07 0.100000E-04    0.979679E+00
  79    0.255954E-04    0.894827E+02 -0.286037E-06 0.100000E-04    0.992204E+00
  80    0.161794E-04    0.846918E+02 -0.191039E-06 0.100000E-04    0.995300E+00
  81    0.158691E-04    0.809058E+02 -0.196143E-06 0.100000E-04    0.996653E+00
  82   -0.113552E-04    0.795159E+02  0.142805E-06 0.100000E-04    0.989552E+00
  83   -0.124593E-04    0.784542E+02  0.158810E-06 0.100000E-04    0.993984E+00
  84    0.246566E-04    0.727511E+02 -0.338917E-06 0.100000E-04    0.996426E+00
  85   -0.359929E-04    0.717482E+02  0.501656E-06 0.100000E-04    0.998607E+00
  86   -0.283711E-04    0.683775E+02  0.414919E-06 0.100000E-04    0.987574E+00
  87   -0.259844E-04    0.677638E+02  0.383455E-06 0.100000E-04    0.982210E+00
  88   -0.731803E-06    0.633829E+02  0.115457E-07 0.100000E-04    0.920969E+00
  89    0.421004E-04    0.612052E+02 -0.687856E-06 0.100000E-04    0.997089E+00
  90   -0.201873E-04    0.596575E+02  0.338386E-06 0.100000E-04    0.999640E+00
  91   -0.752943E-06    0.589139E+02  0.127804E-07 0.100000E-04    0.993378E+00
  92   -0.506746E-04    0.559269E+02  0.906086E-06 0.100000E-04    0.996349E+00
  93    0.385506E-04    0.532208E+02 -0.724353E-06 0.100000E-04    0.998217E+00
  94    0.322093E-04    0.522273E+02 -0.616714E-06 0.100000E-04    0.996799E+00
  95   -0.331178E-04    0.502253E+02  0.659384E-06 0.100000E-04    0.997127E+00
  96    0.110518E-04    0.478743E+02 -0.230850E-06 0.100000E-04    0.996722E+00
  97    0.326762E-04    0.431303E+02 -0.757615E-06 0.100000E-04    0.999675E+00
  98    0.259990E-04    0.401307E+02 -0.647858E-06 0.100000E-04    0.995608E+00
  99   -0.860569E-04    0.370329E+02  0.232379E-05 0.100000E-04    0.996264E+00
 100    0.794705E-05    0.357748E+02 -0.222141E-06 0.100000E-04    0.971212E+00
 101    0.118366E-03    0.356409E+02 -0.332108E-05 0.100000E-04    0.998955E+00
 102    0.758018E-04    0.288871E+02 -0.262407E-05 0.100000E-04    0.997328E+00
 103    0.285710E-04    0.287445E+02 -0.993965E-06 0.100000E-04    0.989812E+00
 104   -0.483692E-04    0.283896E+02  0.170376E-05 0.100000E-04    0.996895E+00
 105   -0.407560E-04    0.229596E+02  0.177512E-05 0.100000E-04    0.996546E+00
 106   -0.223713E-05    0.218815E+02  0.102238E-06 0.100000E-04    0.904267E+00
 107   -0.126470E-03    0.198903E+02  0.635838E-05 0.100000E-04    0.998912E+00
 108    0.466425E-04    0.168151E+02 -0.277384E-05 0.100000E-04    0.993903E+00
 109   -0.764389E-04    0.137717E+02  0.555042E-05 0.100000E-04    0.998793E+00
 110    0.752142E-03    0.123230E+02 -0.100000E-04 0.100000E-04    0.770815E+00
 111   -0.295498E-02    0.101279E+02  0.100000E-04 0.100000E-04    0.492230E+00
 112   -0.431904E-04    0.959908E+01  0.449943E-05 0.100000E-04    0.923791E+00
 113    0.125137E-01    0.755368E+01 -0.112249E-04 0.112249E-04    0.219568E+00
 114   -0.462267E+00    0.465591E+01 -0.400000E-03 0.400000E-03    0.284575E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9832614839E-01

 Beginning of optimization cycle  223.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3804150586
 potential> RMS force:                                               0.0434860517   |gradient|=.4643039771    
 Eigenvalues of the Hessian matrix:
   726.88429    672.44518    625.57157    604.49334    589.19579    567.08413 
   565.72916    480.42365    467.50313    462.12968    441.32740    430.53199 
   421.27438    407.00847    397.89259    388.78955    367.29813    362.72149 
   351.63759    338.97552    324.89789    321.63175    319.16650    315.55503 
   304.88566    287.80564    279.36047    270.86150    266.05295    263.27154 
   258.41019    253.65904    242.80226    237.95193    235.57032    228.70704 
   222.33800    212.98102    211.75063    208.34473    203.27666    198.05271 
   195.50970    191.60365    185.36920    176.41624    171.20437    167.74525 
   165.54548    159.95504    153.53845    150.96402    149.13526    142.99383 
   136.96308    135.34494    130.84923    127.70025    126.05123    125.33155 
   119.54471    117.97777    116.79518    111.73236    108.95923    105.10683 
   102.95247    100.01623     96.73345     95.12403     91.62129     90.59013 
    89.49106     84.69418     80.90606     79.51898     78.45232     72.75007 
    71.75203     68.37353     67.75774     63.38235     61.19520     59.65770 
    58.91611     55.92820     53.21642     52.22745     50.22399     47.87244 
    43.12680     40.13301     37.03463     35.76610     35.64740     28.88605 
    28.74406     28.38134     22.95776     21.87925     19.89453     16.81554 
    13.77159     12.32184     10.11737      9.59906      7.55202      4.65304 
overlap for current and previous eigenvector    109 is         0.9999991626
overlap for current and previous eigenvector    110 is         0.9999990652
overlap for current and previous eigenvector    111 is         0.9999548304
overlap for current and previous eigenvector    112 is         0.9999561089
overlap for current and previous eigenvector    113 is         0.9999975861
overlap for current and previous eigenvector    114 is         0.9999996277
J1,K1,R1,R2,RAT=   7   7   -0.1363544919E-01     2.013468774        0.9863645508    
FOB,PFOB,DIAG,PSTEP=   -0.1543858315E-05   -0.1523088587E-05     726.8842858        0.2095540594E-08
J1,K1,R1,R2,RAT=   8   8   -0.1235471815E-02     2.001197216        0.9987645282    
FOB,PFOB,DIAG,PSTEP=   -0.2677219071E-05   -0.2673915460E-05     672.4451753        0.3976482703E-08
J1,K1,R1,R2,RAT=   9   9    0.1282178892E-01     1.987132041        0.9871320409    
FOB,PFOB,DIAG,PSTEP=    0.6576453132E-06    0.6661872223E-06     625.5715734       -0.1064950247E-08
J1,K1,R1,R2,RAT=  10  10   -0.8777620260E-02     2.008770565        0.9912223797    
FOB,PFOB,DIAG,PSTEP=    0.1657875066E-05    0.1643449440E-05     604.4933423       -0.2718731742E-08
J1,K1,R1,R2,RAT=  11  11   -0.2650959164E-02     2.002674822        0.9973490408    
FOB,PFOB,DIAG,PSTEP=   -0.1121748801E-05   -0.1118782989E-05     589.1957865        0.1898807945E-08
J1,K1,R1,R2,RAT= 109 109   -0.2360689015E-03     2.000257693        0.9997639311    
FOB,PFOB,DIAG,PSTEP=   -0.7645695190E-04   -0.7643890724E-04     13.77159153        0.5550417365E-05
J1,K1,R1,R2,RAT= 110 110   -0.2382684386         12.44655061        0.7617315614    
FOB,PFOB,DIAG,PSTEP=    0.7815013898E-03    0.7521423401E-03     12.32183741       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5033661517         58.91739595        0.4966338483    
FOB,PFOB,DIAG,PSTEP=   -0.3005907862E-02   -0.2954980468E-02     10.11736557        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4408814453E-01     2.044092770        0.9559118555    
FOB,PFOB,DIAG,PSTEP=   -0.4509457264E-04   -0.4319039276E-04     9.599061308        0.4499428796E-05
J1,K1,R1,R2,RAT= 113 113   -0.9711315768         296.2076480        0.2886842322E-01
FOB,PFOB,DIAG,PSTEP=    0.1259600720E-01    0.1251368383E-01     7.552017380       -0.1122489069E-04
J1,K1,R1,R2,RAT= 114 114    0.9971449104        -497.7338115        0.2855089573E-02
FOB,PFOB,DIAG,PSTEP=   -0.4641226005       -0.4622667001         4.653035815       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00000      0.00002     -0.00001     -0.00002 
     0.00001     -0.00003      0.00002     -0.00001      0.00000     -0.00002 
    -0.00000     -0.00001     -0.00000     -0.00002      0.00000      0.00004 
     0.00002     -0.00003     -0.00004     -0.00003     -0.00006      0.00000 
     0.00003     -0.00002     -0.00002     -0.00001     -0.00001      0.00002 
     0.00004      0.00003     -0.00003     -0.00000      0.00004     -0.00002 
    -0.00000      0.00005      0.00004      0.00003     -0.00003     -0.00001 
    -0.00003     -0.00003      0.00009      0.00001     -0.00012      0.00008 
     0.00003     -0.00005     -0.00004     -0.00000     -0.00013      0.00005 
    -0.00008      0.00078     -0.00301     -0.00005      0.01260     -0.46412 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4372420489
 Log product of positive Hessian eigenvalues =          520.1665574591
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6530358149
 Unscaled step for mode    7=        0.0000000021
 Unscaled step for mode    8=        0.0000000040
 Unscaled step for mode    9=       -0.0000000011
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000038
 Unscaled step for mode   13=        0.0000000039
 Unscaled step for mode   14=        0.0000000103
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000077
 Unscaled step for mode   17=       -0.0000000067
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000278
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000175
 Unscaled step for mode   22=       -0.0000000077
 Unscaled step for mode   23=        0.0000000025
 Unscaled step for mode   24=       -0.0000000025
 Unscaled step for mode   25=        0.0000000409
 Unscaled step for mode   26=        0.0000000700
 Unscaled step for mode   27=        0.0000000362
 Unscaled step for mode   28=       -0.0000000072
 Unscaled step for mode   29=       -0.0000000027
 Unscaled step for mode   30=        0.0000000636
 Unscaled step for mode   31=        0.0000000223
 Unscaled step for mode   32=        0.0000000100
 Unscaled step for mode   33=       -0.0000000282
 Unscaled step for mode   34=       -0.0000000180
 Unscaled step for mode   35=       -0.0000000772
 Unscaled step for mode   36=       -0.0000000318
 Unscaled step for mode   37=        0.0000000442
 Unscaled step for mode   38=        0.0000000144
 Unscaled step for mode   39=        0.0000000621
 Unscaled step for mode   40=       -0.0000000406
 Unscaled step for mode   41=       -0.0000000831
 Unscaled step for mode   42=        0.0000000269
 Unscaled step for mode   43=       -0.0000000288
 Unscaled step for mode   44=        0.0000000571
 Unscaled step for mode   45=       -0.0000000129
 Unscaled step for mode   46=       -0.0000000646
 Unscaled step for mode   47=        0.0000001194
 Unscaled step for mode   48=       -0.0000000081
 Unscaled step for mode   49=        0.0000000800
 Unscaled step for mode   50=        0.0000000439
 Unscaled step for mode   51=        0.0000000560
 Unscaled step for mode   52=       -0.0000000033
 Unscaled step for mode   53=        0.0000000522
 Unscaled step for mode   54=        0.0000000509
 Unscaled step for mode   55=       -0.0000001026
 Unscaled step for mode   56=       -0.0000000344
 Unscaled step for mode   57=       -0.0000000306
 Unscaled step for mode   58=       -0.0000001083
 Unscaled step for mode   59=        0.0000000371
 Unscaled step for mode   60=        0.0000001110
 Unscaled step for mode   61=       -0.0000001058
 Unscaled step for mode   62=        0.0000002163
 Unscaled step for mode   63=       -0.0000001532
 Unscaled step for mode   64=        0.0000000862
 Unscaled step for mode   65=       -0.0000000032
 Unscaled step for mode   66=        0.0000001849
 Unscaled step for mode   67=        0.0000000218
 Unscaled step for mode   68=        0.0000000611
 Unscaled step for mode   69=        0.0000000226
 Unscaled step for mode   70=        0.0000001467
 Unscaled step for mode   71=       -0.0000000239
 Unscaled step for mode   72=       -0.0000003349
 Unscaled step for mode   73=       -0.0000001718
 Unscaled step for mode   74=        0.0000002897
 Unscaled step for mode   75=        0.0000003740
 Unscaled step for mode   76=        0.0000002933
 Unscaled step for mode   77=        0.0000006180
 Unscaled step for mode   78=       -0.0000000182
 Unscaled step for mode   79=       -0.0000002848
 Unscaled step for mode   80=        0.0000001917
 Unscaled step for mode   81=        0.0000001970
 Unscaled step for mode   82=        0.0000001421
 Unscaled step for mode   83=        0.0000001588
 Unscaled step for mode   84=       -0.0000003414
 Unscaled step for mode   85=       -0.0000005042
 Unscaled step for mode   86=       -0.0000004102
 Unscaled step for mode   87=        0.0000003900
 Unscaled step for mode   88=        0.0000000115
 Unscaled step for mode   89=       -0.0000006909
 Unscaled step for mode   90=        0.0000003412
 Unscaled step for mode   91=        0.0000000128
 Unscaled step for mode   92=       -0.0000009083
 Unscaled step for mode   93=       -0.0000007256
 Unscaled step for mode   94=       -0.0000006207
 Unscaled step for mode   95=        0.0000006597
 Unscaled step for mode   96=        0.0000002298
 Unscaled step for mode   97=        0.0000007620
 Unscaled step for mode   98=        0.0000006515
 Unscaled step for mode   99=       -0.0000023418
 Unscaled step for mode  100=       -0.0000002114
 Unscaled step for mode  101=        0.0000033208
 Unscaled step for mode  102=       -0.0000026389
 Unscaled step for mode  103=       -0.0000009885
 Unscaled step for mode  104=        0.0000017216
 Unscaled step for mode  105=        0.0000017835
 Unscaled step for mode  106=        0.0000001249
 Unscaled step for mode  107=        0.0000063596
 Unscaled step for mode  108=       -0.0000027333
 Unscaled step for mode  109=        0.0000055518
 Unscaled step for mode  110=       -0.0000634241
 Unscaled step for mode  111=        0.0002971038
 Unscaled step for mode  112=        0.0000046978
 Unscaled step for mode  113=       -0.0016678950
 Unscaled step for mode  114=       -0.0987730558
 Largest modulus ratio of non-zero e/values=           156.2172127    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.238308E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.156125E-16    0.100738E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.464039E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.133899E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.188000E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.550612E-15    0.973718E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.154386E-05    0.726884E+03  0.212394E-08 0.100000E-04    0.986365E+00
   8   -0.267722E-05    0.672445E+03  0.398132E-08 0.100000E-04    0.998765E+00
   9    0.657645E-06    0.625572E+03 -0.105127E-08 0.100000E-04    0.987132E+00
  10    0.165788E-05    0.604493E+03 -0.274259E-08 0.100000E-04    0.991222E+00
  11   -0.112175E-05    0.589196E+03  0.190386E-08 0.100000E-04    0.997349E+00
  12    0.213477E-05    0.567084E+03 -0.376446E-08 0.100000E-04    0.985174E+00
  13   -0.222282E-05    0.565729E+03  0.392913E-08 0.100000E-04    0.992361E+00
  14   -0.495659E-05    0.480424E+03  0.103171E-07 0.100000E-04    0.997818E+00
  15    0.183628E-05    0.467503E+03 -0.392786E-08 0.100000E-04    0.994153E+00
  16    0.353747E-05    0.462130E+03 -0.765472E-08 0.100000E-04    0.991848E+00
  17    0.297145E-05    0.441327E+03 -0.673298E-08 0.100000E-04    0.990942E+00
  18    0.452444E-05    0.430532E+03 -0.105090E-07 0.100000E-04    0.999678E+00
  19   -0.116936E-04    0.421274E+03  0.277578E-07 0.100000E-04    0.995490E+00
  20    0.892868E-05    0.407008E+03 -0.219373E-07 0.100000E-04    0.999239E+00
  21    0.696725E-05    0.397893E+03 -0.175104E-07 0.100000E-04    0.997266E+00
  22    0.299597E-05    0.388790E+03 -0.770590E-08 0.100000E-04    0.986073E+00
  23   -0.924171E-06    0.367298E+03  0.251613E-08 0.100000E-04    0.994686E+00
  24    0.901221E-06    0.362721E+03 -0.248461E-08 0.100000E-04    0.976549E+00
  25   -0.143789E-04    0.351638E+03  0.408912E-07 0.100000E-04    0.996206E+00
  26   -0.237141E-04    0.338976E+03  0.699581E-07 0.100000E-04    0.995409E+00
  27   -0.117476E-04    0.324898E+03  0.361577E-07 0.100000E-04    0.996264E+00
  28    0.232449E-05    0.321632E+03 -0.722719E-08 0.100000E-04    0.954544E+00
  29    0.870727E-06    0.319166E+03 -0.272813E-08 0.100000E-04    0.922701E+00
  30   -0.200713E-04    0.315555E+03  0.636062E-07 0.100000E-04    0.997477E+00
  31   -0.679372E-05    0.304886E+03  0.222828E-07 0.100000E-04    0.993852E+00
  32   -0.288266E-05    0.287806E+03  0.100160E-07 0.100000E-04    0.987271E+00
  33    0.788062E-05    0.279360E+03 -0.282095E-07 0.100000E-04    0.993421E+00
  34    0.486587E-05    0.270862E+03 -0.179644E-07 0.100000E-04    0.990056E+00
  35    0.205389E-04    0.266053E+03 -0.771987E-07 0.100000E-04    0.998175E+00
  36    0.836644E-05    0.263272E+03 -0.317788E-07 0.100000E-04    0.990952E+00
  37   -0.114265E-04    0.258410E+03  0.442184E-07 0.100000E-04    0.994678E+00
  38   -0.365335E-05    0.253659E+03  0.144026E-07 0.100000E-04    0.996092E+00
  39   -0.150857E-04    0.242802E+03  0.621318E-07 0.100000E-04    0.996401E+00
  40    0.965148E-05    0.237952E+03 -0.405606E-07 0.100000E-04    0.994349E+00
  41    0.195821E-04    0.235570E+03 -0.831264E-07 0.100000E-04    0.989869E+00
  42   -0.615892E-05    0.228707E+03  0.269293E-07 0.100000E-04    0.994321E+00
  43    0.639260E-05    0.222338E+03 -0.287517E-07 0.100000E-04    0.993048E+00
  44   -0.121622E-04    0.212981E+03  0.571047E-07 0.100000E-04    0.994377E+00
  45    0.272659E-05    0.211751E+03 -0.128764E-07 0.100000E-04    0.995499E+00
  46    0.134641E-04    0.208345E+03 -0.646242E-07 0.100000E-04    0.995045E+00
  47   -0.242725E-04    0.203277E+03  0.119406E-06 0.100000E-04    0.997475E+00
  48    0.161252E-05    0.198053E+03 -0.814186E-08 0.100000E-04    0.983895E+00
  49   -0.156329E-04    0.195510E+03  0.799596E-07 0.100000E-04    0.996327E+00
  50   -0.840516E-05    0.191604E+03  0.438674E-07 0.100000E-04    0.991953E+00
  51   -0.103770E-04    0.185369E+03  0.559799E-07 0.100000E-04    0.996953E+00
  52    0.578774E-06    0.176416E+03 -0.328073E-08 0.100000E-04    0.989815E+00
  53   -0.893649E-05    0.171204E+03  0.521978E-07 0.100000E-04    0.996563E+00
  54   -0.853023E-05    0.167745E+03  0.508523E-07 0.100000E-04    0.994070E+00
  55    0.169777E-04    0.165545E+03 -0.102556E-06 0.100000E-04    0.997775E+00
  56    0.550323E-05    0.159955E+03 -0.344048E-07 0.100000E-04    0.994914E+00
  57    0.470359E-05    0.153538E+03 -0.306346E-07 0.100000E-04    0.992219E+00
  58    0.163521E-04    0.150964E+03 -0.108318E-06 0.100000E-04    0.994607E+00
  59   -0.553666E-05    0.149135E+03  0.371251E-07 0.100000E-04    0.988014E+00
  60   -0.158682E-04    0.142994E+03  0.110971E-06 0.100000E-04    0.997951E+00
  61    0.144893E-04    0.136963E+03 -0.105790E-06 0.100000E-04    0.991676E+00
  62   -0.292710E-04    0.135345E+03  0.216270E-06 0.100000E-04    0.997276E+00
  63    0.200454E-04    0.130849E+03 -0.153195E-06 0.100000E-04    0.995409E+00
  64   -0.110128E-04    0.127700E+03  0.862394E-07 0.100000E-04    0.990880E+00
  65    0.405133E-06    0.126051E+03 -0.321403E-08 0.100000E-04    0.861297E+00
  66   -0.231764E-04    0.125332E+03  0.184921E-06 0.100000E-04    0.995642E+00
  67   -0.260807E-05    0.119545E+03  0.218167E-07 0.100000E-04    0.998572E+00
  68   -0.720481E-05    0.117978E+03  0.610692E-07 0.100000E-04    0.994831E+00
  69   -0.263794E-05    0.116795E+03  0.225860E-07 0.100000E-04    0.983475E+00
  70   -0.163896E-04    0.111732E+03  0.146687E-06 0.100000E-04    0.996447E+00
  71    0.259988E-05    0.108959E+03 -0.238610E-07 0.100000E-04    0.987310E+00
  72    0.352016E-04    0.105107E+03 -0.334912E-06 0.100000E-04    0.993350E+00
  73    0.176891E-04    0.102952E+03 -0.171818E-06 0.100000E-04    0.994400E+00
  74   -0.289754E-04    0.100016E+03  0.289707E-06 0.100000E-04    0.997309E+00
  75   -0.361751E-04    0.967335E+02  0.373967E-06 0.100000E-04    0.992984E+00
  76   -0.279037E-04    0.951240E+02  0.293340E-06 0.100000E-04    0.998802E+00
  77   -0.566234E-04    0.916213E+02  0.618015E-06 0.100000E-04    0.997675E+00
  78    0.165057E-05    0.905901E+02 -0.182202E-07 0.100000E-04    0.991044E+00
  79    0.254898E-04    0.894911E+02 -0.284831E-06 0.100000E-04    0.995689E+00
  80   -0.162327E-04    0.846942E+02  0.191662E-06 0.100000E-04    0.996709E+00
  81   -0.159360E-04    0.809061E+02  0.196969E-06 0.100000E-04    0.995788E+00
  82   -0.113021E-04    0.795190E+02  0.142131E-06 0.100000E-04    0.995247E+00
  83   -0.124572E-04    0.784523E+02  0.158787E-06 0.100000E-04    0.999832E+00
  84    0.248358E-04    0.727501E+02 -0.341385E-06 0.100000E-04    0.992732E+00
  85    0.361767E-04    0.717520E+02 -0.504191E-06 0.100000E-04    0.994893E+00
  86    0.280491E-04    0.683735E+02 -0.410234E-06 0.100000E-04    0.988651E+00
  87   -0.264268E-04    0.677577E+02  0.390018E-06 0.100000E-04    0.982974E+00
  88   -0.728220E-06    0.633823E+02  0.114893E-07 0.100000E-04    0.995105E+00
  89    0.422786E-04    0.611952E+02 -0.690882E-06 0.100000E-04    0.995765E+00
  90   -0.203536E-04    0.596577E+02  0.341173E-06 0.100000E-04    0.991759E+00
  91   -0.756053E-06    0.589161E+02  0.128327E-07 0.100000E-04    0.995870E+00
  92    0.507977E-04    0.559282E+02 -0.908267E-06 0.100000E-04    0.997569E+00
  93    0.386136E-04    0.532164E+02 -0.725595E-06 0.100000E-04    0.998367E+00
  94    0.324160E-04    0.522274E+02 -0.620670E-06 0.100000E-04    0.993584E+00
  95   -0.331341E-04    0.502240E+02  0.659726E-06 0.100000E-04    0.999508E+00
  96   -0.110008E-04    0.478724E+02  0.229794E-06 0.100000E-04    0.995386E+00
  97   -0.328641E-04    0.431268E+02  0.762034E-06 0.100000E-04    0.994250E+00
  98   -0.261476E-04    0.401330E+02  0.651525E-06 0.100000E-04    0.994283E+00
  99    0.867283E-04    0.370346E+02 -0.234182E-05 0.100000E-04    0.992199E+00
 100    0.756162E-05    0.357661E+02 -0.211418E-06 0.100000E-04    0.951488E+00
 101   -0.118379E-03    0.356474E+02  0.332082E-05 0.100000E-04    0.999741E+00
 102    0.762263E-04    0.288861E+02 -0.263886E-05 0.100000E-04    0.994400E+00
 103    0.284144E-04    0.287441E+02 -0.988531E-06 0.100000E-04    0.994518E+00
 104   -0.488608E-04    0.283813E+02  0.172158E-05 0.100000E-04    0.989834E+00
 105   -0.409457E-04    0.229578E+02  0.178352E-05 0.100000E-04    0.995347E+00
 106   -0.273240E-05    0.218793E+02  0.124885E-06 0.100000E-04    0.778592E+00
 107   -0.126521E-03    0.198945E+02  0.635959E-05 0.100000E-04    0.999595E+00
 108    0.459627E-04    0.168155E+02 -0.273335E-05 0.100000E-04    0.985375E+00
 109   -0.764570E-04    0.137716E+02  0.555179E-05 0.100000E-04    0.999764E+00
 110    0.781501E-03    0.123218E+02 -0.100000E-04 0.100000E-04    0.761732E+00
 111   -0.300591E-02    0.101174E+02  0.100000E-04 0.100000E-04    0.496634E+00
 112   -0.450946E-04    0.959906E+01  0.469781E-05 0.100000E-04    0.955912E+00
 113    0.125960E-01    0.755202E+01 -0.122351E-04 0.122351E-04    0.288684E-01
 114   -0.464123E+00    0.465304E+01 -0.400000E-03 0.400000E-03    0.285509E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9877305582E-01

 Beginning of optimization cycle  224.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3802292292
 potential> RMS force:                                               0.0436599196   |gradient|=.4661603782    
 Eigenvalues of the Hessian matrix:
   726.94484    672.45793    625.58596    604.49545    589.18865    567.12061 
   565.74870    480.44529    467.48020    462.12083    441.32727    430.52331 
   421.28083    407.01872    397.88846    388.79150    367.30239    362.71190 
   351.62996    338.94282    324.90530    321.62937    319.18029    315.52696 
   304.87965    287.81137    279.35492    270.85779    266.05863    263.28159 
   258.41874    253.66181    242.79580    237.94236    235.57742    228.70711 
   222.31811    212.98715    211.75520    208.33264    203.27990    198.04868 
   195.50894    191.60338    185.35909    176.40262    171.21018    167.74161 
   165.54276    159.94771    153.54066    150.96469    149.13552    142.99673 
   136.96367    135.35027    130.84758    127.70184    126.05209    125.33640 
   119.54632    117.97841    116.79781    111.72518    108.94822    105.10330 
   102.95404    100.01302     96.72626     95.12404     91.63216     90.58508 
    89.49935     84.69664     80.90629     79.52210     78.45048     72.74901 
    71.75585     68.36970     67.75149     63.38175     61.18518     59.65796 
    58.91828     55.92950     53.21206     52.22754     50.22266     47.87051 
    43.12330     40.13527     37.03637     35.75735     35.65380     28.88497 
    28.74362     28.37302     22.95595     21.87698     19.89880     16.81595 
    13.77145     12.32064     10.10691      9.59895      7.55031      4.65014 
overlap for current and previous eigenvector    109 is        -0.9999991706
overlap for current and previous eigenvector    110 is        -0.9999990758
overlap for current and previous eigenvector    111 is        -0.9999514285
overlap for current and previous eigenvector    112 is         0.9999526537
overlap for current and previous eigenvector    113 is         0.9999975497
overlap for current and previous eigenvector    114 is         0.9999996285
J1,K1,R1,R2,RAT=   7   7   -0.1178895146E-01     2.011622352        0.9882110485    
FOB,PFOB,DIAG,PSTEP=   -0.1562060302E-05   -0.1543858315E-05     726.9448399        0.2123939594E-08
J1,K1,R1,R2,RAT=   8   8   -0.1094065259E-01     2.010902712        0.9890593474    
FOB,PFOB,DIAG,PSTEP=   -0.2706510150E-05   -0.2677219071E-05     672.4579319        0.3981319472E-08
J1,K1,R1,R2,RAT=   9   9    0.4119032642E-02     1.995834969        0.9958349690    
FOB,PFOB,DIAG,PSTEP=    0.6549363883E-06    0.6576453132E-06     625.5859613       -0.1051271095E-08
J1,K1,R1,R2,RAT=  10  10    0.4902831629E-02     1.995090198        0.9950901984    
FOB,PFOB,DIAG,PSTEP=    0.1649746756E-05    0.1657875066E-05     604.4954489       -0.2742586147E-08
J1,K1,R1,R2,RAT=  11  11    0.2134105706E-02     1.997890124        0.9978658943    
FOB,PFOB,DIAG,PSTEP=   -0.1119354900E-05   -0.1121748801E-05     589.1886485        0.1903864262E-08
J1,K1,R1,R2,RAT= 109 109     2.001339613       -0.1318855395E-02    0.9986811446    
FOB,PFOB,DIAG,PSTEP=    0.7655778651E-04   -0.7645695190E-04     13.77144860        0.5551787658E-05
J1,K1,R1,R2,RAT= 110 110     12.92481184       -0.2387645552        0.7612354448    
FOB,PFOB,DIAG,PSTEP=   -0.8109187216E-03    0.7815013898E-03     12.32064444       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     59.99871327       -0.5164563237        0.4835436763    
FOB,PFOB,DIAG,PSTEP=    0.3058105617E-02   -0.3005907862E-02     10.10690588        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7453322707E-01     2.074555546        0.9254667729    
FOB,PFOB,DIAG,PSTEP=   -0.4845557916E-04   -0.4509457264E-04     9.598954191        0.4697810670E-05
J1,K1,R1,R2,RAT= 113 113   -0.8143086485         273.5170734        0.1856913515    
FOB,PFOB,DIAG,PSTEP=    0.1267123224E-01    0.1259600720E-01     7.550309191       -0.1223513085E-04
J1,K1,R1,R2,RAT= 114 114    0.9971175593        -500.0388433        0.2882440702E-02
FOB,PFOB,DIAG,PSTEP=   -0.4659772943       -0.4641226005         4.650138220       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00000      0.00002     -0.00001     -0.00002 
    -0.00001      0.00003      0.00002     -0.00001     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000      0.00004 
    -0.00002      0.00003      0.00004      0.00003     -0.00006     -0.00000 
    -0.00003      0.00002      0.00002      0.00001      0.00001     -0.00002 
    -0.00004      0.00003      0.00003      0.00000      0.00004      0.00002 
     0.00000      0.00005     -0.00004     -0.00003      0.00003      0.00001 
    -0.00003      0.00003     -0.00009     -0.00001     -0.00012     -0.00008 
    -0.00003      0.00005     -0.00004      0.00000     -0.00013     -0.00005 
     0.00008     -0.00081      0.00306     -0.00005      0.01267     -0.46598 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4371860472
 Log product of positive Hessian eigenvalues =          520.1637309698
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6501382202
 Unscaled step for mode    7=        0.0000000021
 Unscaled step for mode    8=        0.0000000040
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000037
 Unscaled step for mode   13=        0.0000000040
 Unscaled step for mode   14=        0.0000000103
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000077
 Unscaled step for mode   17=       -0.0000000067
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000278
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000175
 Unscaled step for mode   22=       -0.0000000078
 Unscaled step for mode   23=        0.0000000025
 Unscaled step for mode   24=       -0.0000000024
 Unscaled step for mode   25=        0.0000000410
 Unscaled step for mode   26=        0.0000000702
 Unscaled step for mode   27=        0.0000000363
 Unscaled step for mode   28=       -0.0000000075
 Unscaled step for mode   29=       -0.0000000029
 Unscaled step for mode   30=        0.0000000639
 Unscaled step for mode   31=        0.0000000225
 Unscaled step for mode   32=        0.0000000101
 Unscaled step for mode   33=       -0.0000000283
 Unscaled step for mode   34=       -0.0000000181
 Unscaled step for mode   35=       -0.0000000775
 Unscaled step for mode   36=       -0.0000000321
 Unscaled step for mode   37=        0.0000000444
 Unscaled step for mode   38=        0.0000000144
 Unscaled step for mode   39=        0.0000000623
 Unscaled step for mode   40=       -0.0000000404
 Unscaled step for mode   41=       -0.0000000840
 Unscaled step for mode   42=        0.0000000272
 Unscaled step for mode   43=       -0.0000000291
 Unscaled step for mode   44=        0.0000000577
 Unscaled step for mode   45=       -0.0000000127
 Unscaled step for mode   46=       -0.0000000651
 Unscaled step for mode   47=        0.0000001199
 Unscaled step for mode   48=       -0.0000000083
 Unscaled step for mode   49=        0.0000000805
 Unscaled step for mode   50=        0.0000000438
 Unscaled step for mode   51=        0.0000000563
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000524
 Unscaled step for mode   54=       -0.0000000513
 Unscaled step for mode   55=        0.0000001029
 Unscaled step for mode   56=        0.0000000344
 Unscaled step for mode   57=        0.0000000308
 Unscaled step for mode   58=       -0.0000001088
 Unscaled step for mode   59=        0.0000000369
 Unscaled step for mode   60=        0.0000001115
 Unscaled step for mode   61=        0.0000001063
 Unscaled step for mode   62=       -0.0000002165
 Unscaled step for mode   63=       -0.0000001533
 Unscaled step for mode   64=        0.0000000871
 Unscaled step for mode   65=        0.0000000034
 Unscaled step for mode   66=        0.0000001853
 Unscaled step for mode   67=        0.0000000222
 Unscaled step for mode   68=       -0.0000000613
 Unscaled step for mode   69=        0.0000000227
 Unscaled step for mode   70=        0.0000001478
 Unscaled step for mode   71=        0.0000000242
 Unscaled step for mode   72=       -0.0000003364
 Unscaled step for mode   73=        0.0000001728
 Unscaled step for mode   74=       -0.0000002898
 Unscaled step for mode   75=       -0.0000003769
 Unscaled step for mode   76=       -0.0000002939
 Unscaled step for mode   77=        0.0000006198
 Unscaled step for mode   78=        0.0000000178
 Unscaled step for mode   79=        0.0000002826
 Unscaled step for mode   80=       -0.0000001925
 Unscaled step for mode   81=       -0.0000001976
 Unscaled step for mode   82=       -0.0000001406
 Unscaled step for mode   83=       -0.0000001597
 Unscaled step for mode   84=        0.0000003426
 Unscaled step for mode   85=        0.0000005048
 Unscaled step for mode   86=       -0.0000004049
 Unscaled step for mode   87=       -0.0000003965
 Unscaled step for mode   88=       -0.0000000105
 Unscaled step for mode   89=       -0.0000006930
 Unscaled step for mode   90=       -0.0000003413
 Unscaled step for mode   91=       -0.0000000127
 Unscaled step for mode   92=       -0.0000009115
 Unscaled step for mode   93=        0.0000007244
 Unscaled step for mode   94=        0.0000006227
 Unscaled step for mode   95=       -0.0000006578
 Unscaled step for mode   96=       -0.0000002305
 Unscaled step for mode   97=        0.0000007623
 Unscaled step for mode   98=       -0.0000006543
 Unscaled step for mode   99=        0.0000023502
 Unscaled step for mode  100=        0.0000002056
 Unscaled step for mode  101=        0.0000033176
 Unscaled step for mode  102=        0.0000026461
 Unscaled step for mode  103=        0.0000009777
 Unscaled step for mode  104=       -0.0000017278
 Unscaled step for mode  105=        0.0000017896
 Unscaled step for mode  106=       -0.0000001145
 Unscaled step for mode  107=        0.0000063530
 Unscaled step for mode  108=        0.0000027166
 Unscaled step for mode  109=       -0.0000055592
 Unscaled step for mode  110=        0.0000658179
 Unscaled step for mode  111=       -0.0003025758
 Unscaled step for mode  112=        0.0000050480
 Unscaled step for mode  113=       -0.0016782355
 Unscaled step for mode  114=       -0.0992206781
 Largest modulus ratio of non-zero e/values=           156.3275768    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.416117E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.100419E-14    0.100738E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.419938E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.452167E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.182580E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.636860E-15    0.973720E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.156206E-05    0.726945E+03  0.214880E-08 0.100000E-04    0.988211E+00
   8   -0.270651E-05    0.672458E+03  0.402480E-08 0.100000E-04    0.989059E+00
   9    0.654936E-06    0.625586E+03 -0.104692E-08 0.100000E-04    0.995835E+00
  10    0.164975E-05    0.604495E+03 -0.272913E-08 0.100000E-04    0.995090E+00
  11   -0.111935E-05    0.589189E+03  0.189982E-08 0.100000E-04    0.997866E+00
  12    0.208682E-05    0.567121E+03 -0.367967E-08 0.100000E-04    0.977411E+00
  13   -0.226619E-05    0.565749E+03  0.400564E-08 0.100000E-04    0.980491E+00
  14   -0.493105E-05    0.480445E+03  0.102635E-07 0.100000E-04    0.994759E+00
  15    0.184301E-05    0.467480E+03 -0.394244E-08 0.100000E-04    0.996335E+00
  16    0.355427E-05    0.462121E+03 -0.769122E-08 0.100000E-04    0.995251E+00
  17    0.297390E-05    0.441327E+03 -0.673854E-08 0.100000E-04    0.999174E+00
  18    0.452965E-05    0.430523E+03 -0.105213E-07 0.100000E-04    0.998849E+00
  19   -0.117312E-04    0.421281E+03  0.278464E-07 0.100000E-04    0.996792E+00
  20    0.891140E-05    0.407019E+03 -0.218943E-07 0.100000E-04    0.998014E+00
  21    0.697155E-05    0.397888E+03 -0.175214E-07 0.100000E-04    0.999383E+00
  22    0.303185E-05    0.388791E+03 -0.779814E-08 0.100000E-04    0.988025E+00
  23   -0.901054E-06    0.367302E+03  0.245317E-08 0.100000E-04    0.974963E+00
  24    0.879593E-06    0.362712E+03 -0.242505E-08 0.100000E-04    0.976002E+00
  25   -0.144326E-04    0.351630E+03  0.410448E-07 0.100000E-04    0.996266E+00
  26   -0.238103E-04    0.338943E+03  0.702488E-07 0.100000E-04    0.995940E+00
  27   -0.118009E-04    0.324905E+03  0.363211E-07 0.100000E-04    0.995458E+00
  28    0.241870E-05    0.321629E+03 -0.752014E-08 0.100000E-04    0.959473E+00
  29    0.910227E-06    0.319180E+03 -0.285176E-08 0.100000E-04    0.954639E+00
  30   -0.201565E-04    0.315527E+03  0.638819E-07 0.100000E-04    0.995754E+00
  31   -0.686405E-05    0.304880E+03  0.225140E-07 0.100000E-04    0.989647E+00
  32   -0.291178E-05    0.287811E+03  0.101170E-07 0.100000E-04    0.989897E+00
  33    0.790669E-05    0.279355E+03 -0.283034E-07 0.100000E-04    0.996691E+00
  34    0.489265E-05    0.270858E+03 -0.180635E-07 0.100000E-04    0.994498E+00
  35    0.206100E-04    0.266059E+03 -0.774640E-07 0.100000E-04    0.996543E+00
  36    0.844651E-05    0.263282E+03 -0.320817E-07 0.100000E-04    0.990431E+00
  37   -0.114857E-04    0.258419E+03  0.444460E-07 0.100000E-04    0.994821E+00
  38   -0.364996E-05    0.253662E+03  0.143891E-07 0.100000E-04    0.999052E+00
  39   -0.151242E-04    0.242796E+03  0.622917E-07 0.100000E-04    0.997452E+00
  40    0.961066E-05    0.237942E+03 -0.403907E-07 0.100000E-04    0.995771E+00
  41    0.197938E-04    0.235577E+03 -0.840226E-07 0.100000E-04    0.989188E+00
  42   -0.621130E-05    0.228707E+03  0.271583E-07 0.100000E-04    0.991496E+00
  43    0.646340E-05    0.222318E+03 -0.290728E-07 0.100000E-04    0.988924E+00
  44   -0.122966E-04    0.212987E+03  0.577340E-07 0.100000E-04    0.988951E+00
  45    0.268242E-05    0.211755E+03 -0.126675E-07 0.100000E-04    0.983756E+00
  46    0.135581E-04    0.208333E+03 -0.650791E-07 0.100000E-04    0.993019E+00
  47   -0.243749E-04    0.203280E+03  0.119908E-06 0.100000E-04    0.995782E+00
  48    0.164021E-05    0.198049E+03 -0.828184E-08 0.100000E-04    0.982827E+00
  49   -0.157332E-04    0.195509E+03  0.804733E-07 0.100000E-04    0.993580E+00
  50   -0.838448E-05    0.191603E+03  0.437596E-07 0.100000E-04    0.997540E+00
  51   -0.104435E-04    0.185359E+03  0.563418E-07 0.100000E-04    0.993591E+00
  52   -0.600029E-06    0.176403E+03  0.340147E-08 0.100000E-04    0.963273E+00
  53   -0.896680E-05    0.171210E+03  0.523730E-07 0.100000E-04    0.996609E+00
  54    0.860991E-05    0.167742E+03 -0.513284E-07 0.100000E-04    0.990659E+00
  55   -0.170280E-04    0.165543E+03  0.102861E-06 0.100000E-04    0.997036E+00
  56   -0.550846E-05    0.159948E+03  0.344391E-07 0.100000E-04    0.999049E+00
  57   -0.473614E-05    0.153541E+03  0.308462E-07 0.100000E-04    0.993080E+00
  58    0.164309E-04    0.150965E+03 -0.108839E-06 0.100000E-04    0.995185E+00
  59   -0.550366E-05    0.149136E+03  0.369037E-07 0.100000E-04    0.994036E+00
  60   -0.159398E-04    0.142997E+03  0.111470E-06 0.100000E-04    0.995487E+00
  61   -0.145547E-04    0.136964E+03  0.106267E-06 0.100000E-04    0.995488E+00
  62    0.293094E-04    0.135350E+03 -0.216545E-06 0.100000E-04    0.998690E+00
  63    0.200611E-04    0.130848E+03 -0.153317E-06 0.100000E-04    0.999215E+00
  64   -0.111254E-04    0.127702E+03  0.871199E-07 0.100000E-04    0.989777E+00
  65   -0.424644E-06    0.126052E+03  0.336880E-08 0.100000E-04    0.951840E+00
  66   -0.232232E-04    0.125336E+03  0.185287E-06 0.100000E-04    0.997983E+00
  67   -0.265463E-05    0.119546E+03  0.222059E-07 0.100000E-04    0.982147E+00
  68    0.722646E-05    0.117978E+03 -0.612524E-07 0.100000E-04    0.996995E+00
  69   -0.265219E-05    0.116798E+03  0.227075E-07 0.100000E-04    0.994598E+00
  70   -0.165161E-04    0.111725E+03  0.147828E-06 0.100000E-04    0.992284E+00
  71   -0.263373E-05    0.108948E+03  0.241741E-07 0.100000E-04    0.986980E+00
  72    0.353539E-04    0.105103E+03 -0.336373E-06 0.100000E-04    0.995674E+00
  73   -0.177948E-04    0.102954E+03  0.172842E-06 0.100000E-04    0.994024E+00
  74    0.289795E-04    0.100013E+03 -0.289757E-06 0.100000E-04    0.999858E+00
  75    0.364533E-04    0.967263E+02 -0.376871E-06 0.100000E-04    0.992309E+00
  76    0.279556E-04    0.951240E+02 -0.293886E-06 0.100000E-04    0.998139E+00
  77   -0.567924E-04    0.916322E+02  0.619787E-06 0.100000E-04    0.997015E+00
  78   -0.161555E-05    0.905851E+02  0.178347E-07 0.100000E-04    0.978782E+00
  79   -0.252926E-04    0.894993E+02  0.282601E-06 0.100000E-04    0.992081E+00
  80    0.163065E-04    0.846966E+02 -0.192529E-06 0.100000E-04    0.995452E+00
  81    0.159895E-04    0.809063E+02 -0.197630E-06 0.100000E-04    0.996642E+00
  82    0.111818E-04    0.795221E+02 -0.140612E-06 0.100000E-04    0.989272E+00
  83    0.125298E-04    0.784505E+02 -0.159716E-06 0.100000E-04    0.994173E+00
  84   -0.249245E-04    0.727490E+02  0.342610E-06 0.100000E-04    0.996428E+00
  85   -0.362252E-04    0.717559E+02  0.504840E-06 0.100000E-04    0.998660E+00
  86    0.276803E-04    0.683697E+02 -0.404861E-06 0.100000E-04    0.986848E+00
  87    0.268659E-04    0.677515E+02 -0.396536E-06 0.100000E-04    0.983382E+00
  88    0.663889E-06    0.633817E+02 -0.104744E-07 0.100000E-04    0.911659E+00
  89    0.423992E-04    0.611852E+02 -0.692965E-06 0.100000E-04    0.997149E+00
  90    0.203622E-04    0.596580E+02 -0.341316E-06 0.100000E-04    0.999578E+00
  91    0.750510E-06    0.589183E+02 -0.127382E-07 0.100000E-04    0.992596E+00
  92    0.509775E-04    0.559295E+02 -0.911460E-06 0.100000E-04    0.996462E+00
  93   -0.385445E-04    0.532121E+02  0.724357E-06 0.100000E-04    0.998212E+00
  94   -0.325202E-04    0.522275E+02  0.622664E-06 0.100000E-04    0.996786E+00
  95    0.330386E-04    0.502227E+02 -0.657842E-06 0.100000E-04    0.997119E+00
  96    0.110351E-04    0.478705E+02 -0.230521E-06 0.100000E-04    0.996876E+00
  97   -0.328724E-04    0.431233E+02  0.762288E-06 0.100000E-04    0.999748E+00
  98    0.262616E-04    0.401353E+02 -0.654326E-06 0.100000E-04    0.995644E+00
  99   -0.870440E-04    0.370364E+02  0.235023E-05 0.100000E-04    0.996360E+00
 100   -0.735337E-05    0.357574E+02  0.205646E-06 0.100000E-04    0.972453E+00
 101   -0.118285E-03    0.356538E+02  0.331761E-05 0.100000E-04    0.998854E+00
 102   -0.764338E-04    0.288850E+02  0.264614E-05 0.100000E-04    0.997277E+00
 103   -0.281038E-04    0.287436E+02  0.977740E-06 0.100000E-04    0.989069E+00
 104    0.490239E-04    0.283730E+02 -0.172783E-05 0.100000E-04    0.996662E+00
 105   -0.410830E-04    0.229559E+02  0.178965E-05 0.100000E-04    0.996645E+00
 106    0.250568E-05    0.218770E+02 -0.114535E-06 0.100000E-04    0.917017E+00
 107   -0.126417E-03    0.198988E+02  0.635298E-05 0.100000E-04    0.998746E+00
 108   -0.456820E-04    0.168160E+02  0.271659E-05 0.100000E-04    0.993843E+00
 109    0.765578E-04    0.137714E+02 -0.555917E-05 0.100000E-04    0.998681E+00
 110   -0.810919E-03    0.123206E+02  0.100000E-04 0.100000E-04    0.761235E+00
 111    0.305811E-02    0.101069E+02 -0.100000E-04 0.100000E-04    0.483544E+00
 112   -0.484556E-04    0.959895E+01  0.504801E-05 0.100000E-04    0.925467E+00
 113    0.126712E-01    0.755031E+01 -0.133363E-04 0.133363E-04    0.185691E+00
 114   -0.465977E+00    0.465014E+01 -0.400000E-03 0.400000E-03    0.288244E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9922067812E-01

 Beginning of optimization cycle  225.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3800426737
 potential> RMS force:                                               0.0438336554   |gradient|=.4680153684    
 Eigenvalues of the Hessian matrix:
   727.00537    672.47060    625.60031    604.49753    589.18141    567.15740 
   565.76793    480.46694    467.45726    462.11201    441.32718    430.51473 
   421.28727    407.02895    397.88434    388.79341    367.30671    362.70230 
   351.62239    338.91029    324.91277    321.62703    319.19403    315.49887 
   304.87363    287.81712    279.34938    270.85414    266.06440    263.29168 
   258.42741    253.66459    242.78943    237.93300    235.58438    228.70718 
   222.29822    212.99336    211.75980    208.32056    203.28314    198.04465 
   195.50816    191.60309    185.34899    176.38900    171.21601    167.73800 
   165.54001    159.94032    153.54293    150.96541    149.13565    142.99960 
   136.96427    135.35561    130.84590    127.70348    126.05290    125.34122 
   119.54793    117.97904    116.80041    111.71798    108.93718    105.09974 
   102.95563    100.00982     96.71899     95.12401     91.64307     90.58006 
    89.50756     84.69912     80.90652     79.52523     78.44863     72.74796 
    71.75965     68.36597     67.74505     63.38114     61.17511     59.65823 
    58.92042     55.93078     53.20766     52.22762     50.22132     47.86854 
    43.11983     40.13750     37.03817     35.74851     35.66013     28.88391 
    28.74318     28.36470     22.95419     21.87465     19.90306     16.81635 
    13.77131     12.31946     10.09657      9.59876      7.54856      4.64722 
overlap for current and previous eigenvector    109 is        -0.9999991789
overlap for current and previous eigenvector    110 is         0.9999990862
overlap for current and previous eigenvector    111 is        -0.9999478121
overlap for current and previous eigenvector    112 is        -0.9999489817
overlap for current and previous eigenvector    113 is         0.9999975123
overlap for current and previous eigenvector    114 is         0.9999996287
J1,K1,R1,R2,RAT=   7   7   -0.1150588976E-01     2.011339359        0.9884941102    
FOB,PFOB,DIAG,PSTEP=   -0.1580034692E-05   -0.1562060302E-05     727.0053744        0.2148801692E-08
J1,K1,R1,R2,RAT=   8   8   -0.1109417966E-01     2.011056515        0.9889058203    
FOB,PFOB,DIAG,PSTEP=   -0.2736537225E-05   -0.2706510150E-05     672.4705962        0.4024802180E-08
J1,K1,R1,R2,RAT=   9   9    0.5302824135E-02     1.994651309        0.9946513088    
FOB,PFOB,DIAG,PSTEP=    0.6514632962E-06    0.6549363883E-06     625.6003085       -0.1046916697E-08
J1,K1,R1,R2,RAT=  10  10    0.5051073069E-02     1.994942052        0.9949420525    
FOB,PFOB,DIAG,PSTEP=    0.1641413736E-05    0.1649746756E-05     604.4975267       -0.2729130151E-08
J1,K1,R1,R2,RAT=  11  11    0.3547730576E-02     1.996476844        0.9964522694    
FOB,PFOB,DIAG,PSTEP=   -0.1115383779E-05   -0.1119354900E-05     589.1814091        0.1899824280E-08
J1,K1,R1,R2,RAT= 109 109     2.001902296       -0.1882353442E-02    0.9981176466    
FOB,PFOB,DIAG,PSTEP=   -0.7670189389E-04    0.7655778651E-04     13.77131128       -0.5559167284E-05
J1,K1,R1,R2,RAT= 110 110   -0.2382435400         13.40308289        0.7617564600    
FOB,PFOB,DIAG,PSTEP=   -0.8402690452E-03   -0.8109187216E-03     12.31946247        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     61.10955665       -0.5324348523        0.4675651477    
FOB,PFOB,DIAG,PSTEP=   -0.3111863272E-02    0.3058105617E-02     10.09656955       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.074687958       -0.7464702753E-01    0.9253529725    
FOB,PFOB,DIAG,PSTEP=    0.5207257008E-04   -0.4845557916E-04     9.598757753        0.5048006084E-05
J1,K1,R1,R2,RAT= 113 113   -0.6740654975         252.4125915        0.3259345025    
FOB,PFOB,DIAG,PSTEP=    0.1273909027E-01    0.1267123224E-01     7.548558851       -0.1333629263E-04
J1,K1,R1,R2,RAT= 114 114    0.9970843977        -502.3481668        0.2915602315E-02
FOB,PFOB,DIAG,PSTEP=   -0.4678307607       -0.4659772943         4.647215401       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001      0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002      0.00001      0.00000     -0.00002     -0.00001     -0.00002 
    -0.00001      0.00003      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001      0.00000      0.00002     -0.00000      0.00004 
    -0.00002      0.00003      0.00004      0.00003     -0.00006     -0.00000 
    -0.00003      0.00002     -0.00002     -0.00001     -0.00001      0.00003 
     0.00004     -0.00003     -0.00003      0.00000      0.00004     -0.00002 
    -0.00000     -0.00005      0.00004     -0.00003     -0.00003      0.00001 
     0.00003      0.00003     -0.00009     -0.00001     -0.00012     -0.00008 
    -0.00003      0.00005     -0.00004     -0.00000      0.00013      0.00005 
    -0.00008     -0.00084     -0.00311      0.00005      0.01274     -0.46783 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4371307871
 Log product of positive Hessian eigenvalues =          520.1608876290
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6472154006
 Unscaled step for mode    7=        0.0000000022
 Unscaled step for mode    8=        0.0000000041
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000036
 Unscaled step for mode   13=        0.0000000041
 Unscaled step for mode   14=        0.0000000102
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000077
 Unscaled step for mode   17=       -0.0000000067
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000279
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000175
 Unscaled step for mode   22=       -0.0000000079
 Unscaled step for mode   23=        0.0000000024
 Unscaled step for mode   24=       -0.0000000024
 Unscaled step for mode   25=        0.0000000412
 Unscaled step for mode   26=        0.0000000705
 Unscaled step for mode   27=        0.0000000365
 Unscaled step for mode   28=       -0.0000000078
 Unscaled step for mode   29=       -0.0000000030
 Unscaled step for mode   30=        0.0000000642
 Unscaled step for mode   31=        0.0000000227
 Unscaled step for mode   32=        0.0000000102
 Unscaled step for mode   33=       -0.0000000284
 Unscaled step for mode   34=       -0.0000000182
 Unscaled step for mode   35=       -0.0000000777
 Unscaled step for mode   36=       -0.0000000324
 Unscaled step for mode   37=        0.0000000447
 Unscaled step for mode   38=        0.0000000144
 Unscaled step for mode   39=        0.0000000624
 Unscaled step for mode   40=       -0.0000000402
 Unscaled step for mode   41=       -0.0000000849
 Unscaled step for mode   42=        0.0000000274
 Unscaled step for mode   43=       -0.0000000294
 Unscaled step for mode   44=        0.0000000584
 Unscaled step for mode   45=       -0.0000000125
 Unscaled step for mode   46=       -0.0000000655
 Unscaled step for mode   47=        0.0000001204
 Unscaled step for mode   48=       -0.0000000084
 Unscaled step for mode   49=        0.0000000810
 Unscaled step for mode   50=        0.0000000436
 Unscaled step for mode   51=        0.0000000567
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000525
 Unscaled step for mode   54=       -0.0000000518
 Unscaled step for mode   55=        0.0000001032
 Unscaled step for mode   56=       -0.0000000345
 Unscaled step for mode   57=       -0.0000000310
 Unscaled step for mode   58=        0.0000001094
 Unscaled step for mode   59=        0.0000000367
 Unscaled step for mode   60=        0.0000001119
 Unscaled step for mode   61=        0.0000001067
 Unscaled step for mode   62=       -0.0000002168
 Unscaled step for mode   63=       -0.0000001534
 Unscaled step for mode   64=        0.0000000880
 Unscaled step for mode   65=        0.0000000035
 Unscaled step for mode   66=       -0.0000001857
 Unscaled step for mode   67=        0.0000000226
 Unscaled step for mode   68=       -0.0000000615
 Unscaled step for mode   69=       -0.0000000228
 Unscaled step for mode   70=       -0.0000001490
 Unscaled step for mode   71=        0.0000000245
 Unscaled step for mode   72=       -0.0000003378
 Unscaled step for mode   73=        0.0000001739
 Unscaled step for mode   74=       -0.0000002898
 Unscaled step for mode   75=       -0.0000003798
 Unscaled step for mode   76=       -0.0000002944
 Unscaled step for mode   77=        0.0000006215
 Unscaled step for mode   78=        0.0000000174
 Unscaled step for mode   79=        0.0000002804
 Unscaled step for mode   80=       -0.0000001934
 Unscaled step for mode   81=        0.0000001983
 Unscaled step for mode   82=        0.0000001391
 Unscaled step for mode   83=        0.0000001606
 Unscaled step for mode   84=       -0.0000003438
 Unscaled step for mode   85=       -0.0000005053
 Unscaled step for mode   86=        0.0000003994
 Unscaled step for mode   87=        0.0000004028
 Unscaled step for mode   88=       -0.0000000093
 Unscaled step for mode   89=       -0.0000006948
 Unscaled step for mode   90=        0.0000003413
 Unscaled step for mode   91=        0.0000000127
 Unscaled step for mode   92=        0.0000009146
 Unscaled step for mode   93=       -0.0000007231
 Unscaled step for mode   94=        0.0000006248
 Unscaled step for mode   95=        0.0000006560
 Unscaled step for mode   96=       -0.0000002313
 Unscaled step for mode   97=       -0.0000007621
 Unscaled step for mode   98=       -0.0000006572
 Unscaled step for mode   99=        0.0000023580
 Unscaled step for mode  100=        0.0000002021
 Unscaled step for mode  101=        0.0000033136
 Unscaled step for mode  102=        0.0000026532
 Unscaled step for mode  103=        0.0000009668
 Unscaled step for mode  104=       -0.0000017343
 Unscaled step for mode  105=        0.0000017940
 Unscaled step for mode  106=        0.0000001027
 Unscaled step for mode  107=       -0.0000063436
 Unscaled step for mode  108=       -0.0000027024
 Unscaled step for mode  109=        0.0000055697
 Unscaled step for mode  110=        0.0000682066
 Unscaled step for mode  111=        0.0003082099
 Unscaled step for mode  112=       -0.0000054249
 Unscaled step for mode  113=       -0.0016876141
 Unscaled step for mode  114=       -0.0996690127
 Largest modulus ratio of non-zero e/values=           156.4389235    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.244596E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.291650E-15    0.100738E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.561183E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.248588E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.852617E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.299863E-15    0.973722E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.158003E-05    0.727005E+03  0.217335E-08 0.100000E-04    0.988494E+00
   8   -0.273654E-05    0.672471E+03  0.406938E-08 0.100000E-04    0.988906E+00
   9    0.651463E-06    0.625600E+03 -0.104134E-08 0.100000E-04    0.994651E+00
  10    0.164141E-05    0.604498E+03 -0.271534E-08 0.100000E-04    0.994942E+00
  11   -0.111538E-05    0.589181E+03  0.189311E-08 0.100000E-04    0.996452E+00
  12    0.203751E-05    0.567157E+03 -0.359249E-08 0.100000E-04    0.976243E+00
  13   -0.230796E-05    0.565768E+03  0.407933E-08 0.100000E-04    0.981570E+00
  14   -0.490520E-05    0.480467E+03  0.102092E-07 0.100000E-04    0.994668E+00
  15    0.185005E-05    0.467457E+03 -0.395768E-08 0.100000E-04    0.996184E+00
  16    0.357072E-05    0.462112E+03 -0.772695E-08 0.100000E-04    0.995373E+00
  17    0.297425E-05    0.441327E+03 -0.673933E-08 0.100000E-04    0.999883E+00
  18    0.453216E-05    0.430515E+03 -0.105273E-07 0.100000E-04    0.999446E+00
  19   -0.117683E-04    0.421287E+03  0.279342E-07 0.100000E-04    0.996834E+00
  20    0.889031E-05    0.407029E+03 -0.218420E-07 0.100000E-04    0.997583E+00
  21    0.697428E-05    0.397884E+03 -0.175284E-07 0.100000E-04    0.999608E+00
  22    0.306930E-05    0.388793E+03 -0.789443E-08 0.100000E-04    0.987647E+00
  23   -0.875979E-06    0.367307E+03  0.238487E-08 0.100000E-04    0.972149E+00
  24    0.854713E-06    0.362702E+03 -0.235651E-08 0.100000E-04    0.971713E+00
  25   -0.144869E-04    0.351622E+03  0.412000E-07 0.100000E-04    0.996239E+00
  26   -0.239058E-04    0.338910E+03  0.705373E-07 0.100000E-04    0.995990E+00
  27   -0.118520E-04    0.324913E+03  0.364776E-07 0.100000E-04    0.995668E+00
  28    0.251021E-05    0.321627E+03 -0.780471E-08 0.100000E-04    0.962166E+00
  29    0.949035E-06    0.319194E+03 -0.297322E-08 0.100000E-04    0.957366E+00
  30   -0.202446E-04    0.315499E+03  0.641668E-07 0.100000E-04    0.995629E+00
  31   -0.693504E-05    0.304874E+03  0.227473E-07 0.100000E-04    0.989658E+00
  32   -0.294442E-05    0.287817E+03  0.102302E-07 0.100000E-04    0.988791E+00
  33    0.793340E-05    0.279349E+03 -0.283996E-07 0.100000E-04    0.996622E+00
  34    0.491721E-05    0.270854E+03 -0.181545E-07 0.100000E-04    0.994979E+00
  35    0.206850E-04    0.266064E+03 -0.777445E-07 0.100000E-04    0.996357E+00
  36    0.852908E-05    0.263292E+03 -0.323940E-07 0.100000E-04    0.990224E+00
  37   -0.115450E-04    0.258427E+03  0.446742E-07 0.100000E-04    0.994832E+00
  38   -0.364662E-05    0.253665E+03  0.143758E-07 0.100000E-04    0.999063E+00
  39   -0.151620E-04    0.242789E+03  0.624493E-07 0.100000E-04    0.997496E+00
  40    0.956664E-05    0.237933E+03 -0.402073E-07 0.100000E-04    0.995419E+00
  41    0.200112E-04    0.235584E+03 -0.849428E-07 0.100000E-04    0.989019E+00
  42   -0.626991E-05    0.228707E+03  0.274146E-07 0.100000E-04    0.990564E+00
  43    0.653708E-05    0.222298E+03 -0.294068E-07 0.100000E-04    0.988599E+00
  44   -0.124359E-04    0.212993E+03  0.583863E-07 0.100000E-04    0.988673E+00
  45    0.263791E-05    0.211760E+03 -0.124571E-07 0.100000E-04    0.983363E+00
  46    0.136531E-04    0.208321E+03 -0.655390E-07 0.100000E-04    0.992992E+00
  47   -0.244792E-04    0.203283E+03  0.120419E-06 0.100000E-04    0.995721E+00
  48    0.166874E-05    0.198045E+03 -0.842609E-08 0.100000E-04    0.982603E+00
  49   -0.158343E-04    0.195508E+03  0.809906E-07 0.100000E-04    0.993575E+00
  50   -0.835723E-05    0.191603E+03  0.436174E-07 0.100000E-04    0.996750E+00
  51   -0.105095E-04    0.185349E+03  0.567011E-07 0.100000E-04    0.993676E+00
  52   -0.621206E-06    0.176389E+03  0.352179E-08 0.100000E-04    0.964704E+00
  53   -0.899517E-05    0.171216E+03  0.525370E-07 0.100000E-04    0.996835E+00
  54    0.868837E-05    0.167738E+03 -0.517972E-07 0.100000E-04    0.990887E+00
  55   -0.170822E-04    0.165540E+03  0.103191E-06 0.100000E-04    0.996816E+00
  56    0.551688E-05    0.159940E+03 -0.344933E-07 0.100000E-04    0.998471E+00
  57    0.476528E-05    0.153543E+03 -0.310355E-07 0.100000E-04    0.993846E+00
  58   -0.165095E-04    0.150965E+03  0.109359E-06 0.100000E-04    0.995217E+00
  59   -0.546939E-05    0.149136E+03  0.366740E-07 0.100000E-04    0.993773E+00
  60   -0.160088E-04    0.143000E+03  0.111950E-06 0.100000E-04    0.995672E+00
  61   -0.146167E-04    0.136964E+03  0.106719E-06 0.100000E-04    0.995737E+00
  62    0.293481E-04    0.135356E+03 -0.216822E-06 0.100000E-04    0.998679E+00
  63    0.200711E-04    0.130846E+03 -0.153395E-06 0.100000E-04    0.999504E+00
  64   -0.112347E-04    0.127703E+03  0.879750E-07 0.100000E-04    0.990173E+00
  65   -0.443664E-06    0.126053E+03  0.351967E-08 0.100000E-04    0.955210E+00
  66    0.232709E-04    0.125341E+03 -0.185660E-06 0.100000E-04    0.997945E+00
  67   -0.270493E-05    0.119548E+03  0.226264E-07 0.100000E-04    0.981050E+00
  68    0.725039E-05    0.117979E+03 -0.614549E-07 0.100000E-04    0.996689E+00
  69    0.266551E-05    0.116800E+03 -0.228211E-07 0.100000E-04    0.994977E+00
  70    0.166496E-04    0.111718E+03 -0.149032E-06 0.100000E-04    0.991920E+00
  71   -0.266960E-05    0.108937E+03  0.245059E-07 0.100000E-04    0.986378E+00
  72    0.355028E-04    0.105100E+03 -0.337801E-06 0.100000E-04    0.995788E+00
  73   -0.179002E-04    0.102956E+03  0.173863E-06 0.100000E-04    0.994080E+00
  74    0.289838E-04    0.100010E+03 -0.289809E-06 0.100000E-04    0.999853E+00
  75    0.367314E-04    0.967190E+02 -0.379775E-06 0.100000E-04    0.992371E+00
  76    0.280051E-04    0.951240E+02 -0.294407E-06 0.100000E-04    0.998229E+00
  77   -0.569536E-04    0.916431E+02  0.621472E-06 0.100000E-04    0.997163E+00
  78   -0.157957E-05    0.905801E+02  0.174383E-07 0.100000E-04    0.977723E+00
  79   -0.250954E-04    0.895076E+02  0.280372E-06 0.100000E-04    0.992020E+00
  80    0.163779E-04    0.846991E+02 -0.193365E-06 0.100000E-04    0.995626E+00
  81   -0.160450E-04    0.809065E+02  0.198315E-06 0.100000E-04    0.996530E+00
  82   -0.110596E-04    0.795252E+02  0.139070E-06 0.100000E-04    0.988996E+00
  83   -0.126017E-04    0.784486E+02  0.160636E-06 0.100000E-04    0.994260E+00
  84    0.250112E-04    0.727480E+02 -0.343806E-06 0.100000E-04    0.996524E+00
  85    0.362627E-04    0.717596E+02 -0.505336E-06 0.100000E-04    0.998965E+00
  86   -0.273033E-04    0.683660E+02  0.399370E-06 0.100000E-04    0.986382E+00
  87   -0.272900E-04    0.677450E+02  0.402833E-06 0.100000E-04    0.984213E+00
  88    0.589864E-06    0.633811E+02 -0.930662E-08 0.100000E-04    0.888497E+00
  89    0.425022E-04    0.611751E+02 -0.694763E-06 0.100000E-04    0.997569E+00
  90   -0.203639E-04    0.596582E+02  0.341343E-06 0.100000E-04    0.999916E+00
  91   -0.745956E-06    0.589204E+02  0.126604E-07 0.100000E-04    0.993858E+00
  92   -0.511558E-04    0.559308E+02  0.914627E-06 0.100000E-04    0.996502E+00
  93    0.384749E-04    0.532077E+02 -0.723109E-06 0.100000E-04    0.998194E+00
  94   -0.326294E-04    0.522276E+02  0.624753E-06 0.100000E-04    0.996643E+00
  95   -0.329454E-04    0.502213E+02  0.656005E-06 0.100000E-04    0.997181E+00
  96    0.110733E-04    0.478685E+02 -0.231328E-06 0.100000E-04    0.996540E+00
  97    0.328599E-04    0.431198E+02 -0.762060E-06 0.100000E-04    0.999620E+00
  98    0.263772E-04    0.401375E+02 -0.657170E-06 0.100000E-04    0.995598E+00
  99   -0.873351E-04    0.370382E+02  0.235798E-05 0.100000E-04    0.996656E+00
 100   -0.722403E-05    0.357485E+02  0.202079E-06 0.100000E-04    0.982406E+00
 101   -0.118165E-03    0.356601E+02  0.331364E-05 0.100000E-04    0.998625E+00
 102   -0.766356E-04    0.288839E+02  0.265323E-05 0.100000E-04    0.997359E+00
 103   -0.277896E-04    0.287432E+02  0.966823E-06 0.100000E-04    0.988818E+00
 104    0.491929E-04    0.283647E+02 -0.173430E-05 0.100000E-04    0.996550E+00
 105   -0.411787E-04    0.229542E+02  0.179395E-05 0.100000E-04    0.997669E+00
 106   -0.224695E-05    0.218747E+02  0.102719E-06 0.100000E-04    0.896733E+00
 107    0.126257E-03    0.199031E+02 -0.634358E-05 0.100000E-04    0.998306E+00
 108    0.454444E-04    0.168164E+02 -0.270239E-05 0.100000E-04    0.994752E+00
 109   -0.767019E-04    0.137713E+02  0.556969E-05 0.100000E-04    0.998118E+00
 110   -0.840269E-03    0.123195E+02  0.100000E-04 0.100000E-04    0.761756E+00
 111   -0.311186E-02    0.100966E+02  0.100000E-04 0.100000E-04    0.467565E+00
 112    0.520726E-04    0.959876E+01 -0.542493E-05 0.100000E-04    0.925353E+00
 113    0.127391E-01    0.754856E+01 -0.120147E-04 0.120147E-04    0.325935E+00
 114   -0.467831E+00    0.464722E+01 -0.400000E-03 0.400000E-03    0.291560E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.9966901275E-01

 Beginning of optimization cycle  226.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3798553622
 potential> RMS force:                                               0.0440073045   |gradient|=.4698694334    
 Eigenvalues of the Hessian matrix:
   727.06594    672.48338    625.61467    604.49935    589.17425    567.19425 
   565.78699    480.48868    467.43434    462.10318    441.32711    430.50607 
   421.29363    407.03915    397.88022    388.79529    367.31101    362.69273 
   351.61473    338.87779    324.92023    321.62473    319.20776    315.47075 
   304.86752    287.82289    279.34381    270.85049    266.07019    263.30171 
   258.43597    253.66736    242.78303    237.92376    235.59111    228.70718 
   222.27830    212.99955    211.76437    208.30852    203.28635    198.04059 
   195.50733    191.60281    185.33886    176.37540    171.22187    167.73437 
   165.53722    159.93294    153.54523    150.96618    149.13574    143.00249 
   136.96488    135.36092    130.84426    127.70513    126.05369    125.34602 
   119.54956    117.97968    116.80303    111.71080    108.92619    105.09622 
   102.95721    100.00663     96.71170     95.12398     91.65400     90.57504 
    89.51571     84.70160     80.90674     79.52833     78.44680     72.74695 
    71.76349     68.36245     67.73844     63.38052     61.16509     59.65849 
    58.92258     55.93208     53.20329     52.22772     50.21997     47.86659 
    43.11636     40.13973     37.04005     35.73968     35.66651     28.88287 
    28.74274     28.35639     22.95244     21.87228     19.90737     16.81674 
    13.77118     12.31828     10.08637      9.59846      7.54679      4.64427 
overlap for current and previous eigenvector    109 is         0.9999991887
overlap for current and previous eigenvector    110 is         0.9999990945
overlap for current and previous eigenvector    111 is         0.9999440056
overlap for current and previous eigenvector    112 is        -0.9999451153
overlap for current and previous eigenvector    113 is         0.9999974803
overlap for current and previous eigenvector    114 is        -0.9999996306
J1,K1,R1,R2,RAT=   7   7   -0.1333076062E-01     2.013164144        0.9866692394    
FOB,PFOB,DIAG,PSTEP=   -0.1601099511E-05   -0.1580034692E-05     727.0659449        0.2173346646E-08
J1,K1,R1,R2,RAT=   8   8   -0.8389923687E-03     2.000800980        0.9991610076    
FOB,PFOB,DIAG,PSTEP=   -0.2738833203E-05   -0.2736537225E-05     672.4833776        0.4069378261E-08
J1,K1,R1,R2,RAT=   9   9    0.1444135231E-01     1.985512751        0.9855127507    
FOB,PFOB,DIAG,PSTEP=    0.6420550693E-06    0.6514632962E-06     625.6146655       -0.1041341072E-08
J1,K1,R1,R2,RAT=  10  10   -0.9438494552E-02     2.009432467        0.9905615054    
FOB,PFOB,DIAG,PSTEP=    0.1656906257E-05    0.1641413736E-05     604.4993486       -0.2715335734E-08
J1,K1,R1,R2,RAT=  11  11   -0.2373208827E-02     2.002397496        0.9976267912    
FOB,PFOB,DIAG,PSTEP=   -0.1118030786E-05   -0.1115383779E-05     589.1742545        0.1893107559E-08
J1,K1,R1,R2,RAT= 109 109   -0.4431770682E-03     2.000461922        0.9995568229    
FOB,PFOB,DIAG,PSTEP=   -0.7673588609E-04   -0.7670189389E-04     13.77118221        0.5569687033E-05
J1,K1,R1,R2,RAT= 110 110   -0.2474038920         13.89003807        0.7525961080    
FOB,PFOB,DIAG,PSTEP=   -0.8707449532E-03   -0.8402690452E-03     12.31828156        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5278218025         62.23216597        0.4721781975    
FOB,PFOB,DIAG,PSTEP=   -0.3165101315E-02   -0.3111863272E-02     10.08636690        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.044495216       -0.4443225100E-01    0.9555677490    
FOB,PFOB,DIAG,PSTEP=   -0.5438619875E-04    0.5207257008E-04     9.598455567       -0.5424928040E-05
J1,K1,R1,R2,RAT= 113 113   -0.8537009623         281.8457136        0.1462990377    
FOB,PFOB,DIAG,PSTEP=    0.1281649727E-01    0.1273909027E-01     7.546790573       -0.1201467804E-04
J1,K1,R1,R2,RAT= 114 114    -504.6611680        0.9970751685        0.2924831490E-02
FOB,PFOB,DIAG,PSTEP=    0.4696830366       -0.4678307607         4.644273508       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001      0.00002      0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001     -0.00000     -0.00002      0.00001     -0.00002 
    -0.00001     -0.00003      0.00002     -0.00001      0.00000     -0.00002 
     0.00000     -0.00001     -0.00000     -0.00002      0.00000     -0.00004 
    -0.00002      0.00003     -0.00004      0.00003     -0.00006      0.00000 
     0.00002      0.00002     -0.00002      0.00001     -0.00001      0.00003 
    -0.00004     -0.00003      0.00003      0.00000      0.00004      0.00002 
     0.00000      0.00005     -0.00004      0.00003     -0.00003     -0.00001 
     0.00003     -0.00003      0.00009     -0.00001      0.00012      0.00008 
     0.00003     -0.00005     -0.00004     -0.00000     -0.00013     -0.00004 
    -0.00008     -0.00087     -0.00317     -0.00005      0.01282      0.46968 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4370713781
 Log product of positive Hessian eigenvalues =          520.1580452905
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6442735082
 Unscaled step for mode    7=        0.0000000022
 Unscaled step for mode    8=        0.0000000041
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000035
 Unscaled step for mode   13=        0.0000000041
 Unscaled step for mode   14=        0.0000000102
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000078
 Unscaled step for mode   17=       -0.0000000068
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000281
 Unscaled step for mode   20=       -0.0000000219
 Unscaled step for mode   21=       -0.0000000176
 Unscaled step for mode   22=       -0.0000000080
 Unscaled step for mode   23=        0.0000000024
 Unscaled step for mode   24=       -0.0000000023
 Unscaled step for mode   25=        0.0000000414
 Unscaled step for mode   26=        0.0000000709
 Unscaled step for mode   27=        0.0000000366
 Unscaled step for mode   28=       -0.0000000081
 Unscaled step for mode   29=       -0.0000000032
 Unscaled step for mode   30=        0.0000000643
 Unscaled step for mode   31=        0.0000000229
 Unscaled step for mode   32=        0.0000000104
 Unscaled step for mode   33=       -0.0000000286
 Unscaled step for mode   34=       -0.0000000183
 Unscaled step for mode   35=       -0.0000000779
 Unscaled step for mode   36=       -0.0000000327
 Unscaled step for mode   37=        0.0000000449
 Unscaled step for mode   38=        0.0000000143
 Unscaled step for mode   39=        0.0000000627
 Unscaled step for mode   40=       -0.0000000399
 Unscaled step for mode   41=       -0.0000000858
 Unscaled step for mode   42=       -0.0000000276
 Unscaled step for mode   43=       -0.0000000296
 Unscaled step for mode   44=        0.0000000587
 Unscaled step for mode   45=       -0.0000000125
 Unscaled step for mode   46=       -0.0000000659
 Unscaled step for mode   47=        0.0000001207
 Unscaled step for mode   48=       -0.0000000086
 Unscaled step for mode   49=        0.0000000813
 Unscaled step for mode   50=        0.0000000440
 Unscaled step for mode   51=        0.0000000569
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000527
 Unscaled step for mode   54=       -0.0000000521
 Unscaled step for mode   55=       -0.0000001034
 Unscaled step for mode   56=       -0.0000000347
 Unscaled step for mode   57=        0.0000000313
 Unscaled step for mode   58=        0.0000001099
 Unscaled step for mode   59=       -0.0000000362
 Unscaled step for mode   60=        0.0000001121
 Unscaled step for mode   61=        0.0000001076
 Unscaled step for mode   62=        0.0000002174
 Unscaled step for mode   63=       -0.0000001541
 Unscaled step for mode   64=        0.0000000888
 Unscaled step for mode   65=       -0.0000000040
 Unscaled step for mode   66=        0.0000001865
 Unscaled step for mode   67=       -0.0000000226
 Unscaled step for mode   68=        0.0000000618
 Unscaled step for mode   69=        0.0000000232
 Unscaled step for mode   70=        0.0000001495
 Unscaled step for mode   71=       -0.0000000248
 Unscaled step for mode   72=        0.0000003401
 Unscaled step for mode   73=        0.0000001748
 Unscaled step for mode   74=       -0.0000002906
 Unscaled step for mode   75=        0.0000003824
 Unscaled step for mode   76=       -0.0000002947
 Unscaled step for mode   77=        0.0000006227
 Unscaled step for mode   78=       -0.0000000173
 Unscaled step for mode   79=       -0.0000002792
 Unscaled step for mode   80=       -0.0000001939
 Unscaled step for mode   81=        0.0000001992
 Unscaled step for mode   82=       -0.0000001384
 Unscaled step for mode   83=        0.0000001605
 Unscaled step for mode   84=       -0.0000003463
 Unscaled step for mode   85=        0.0000005079
 Unscaled step for mode   86=        0.0000003945
 Unscaled step for mode   87=       -0.0000004091
 Unscaled step for mode   88=       -0.0000000092
 Unscaled step for mode   89=       -0.0000006978
 Unscaled step for mode   90=       -0.0000003443
 Unscaled step for mode   91=       -0.0000000127
 Unscaled step for mode   92=       -0.0000009166
 Unscaled step for mode   93=        0.0000007244
 Unscaled step for mode   94=       -0.0000006288
 Unscaled step for mode   95=        0.0000006564
 Unscaled step for mode   96=        0.0000002301
 Unscaled step for mode   97=       -0.0000007665
 Unscaled step for mode   98=        0.0000006609
 Unscaled step for mode   99=       -0.0000023761
 Unscaled step for mode  100=        0.0000001939
 Unscaled step for mode  101=       -0.0000033128
 Unscaled step for mode  102=       -0.0000026685
 Unscaled step for mode  103=       -0.0000009608
 Unscaled step for mode  104=        0.0000017533
 Unscaled step for mode  105=        0.0000018020
 Unscaled step for mode  106=        0.0000001272
 Unscaled step for mode  107=        0.0000063429
 Unscaled step for mode  108=        0.0000026615
 Unscaled step for mode  109=        0.0000055722
 Unscaled step for mode  110=        0.0000706872
 Unscaled step for mode  111=        0.0003137999
 Unscaled step for mode  112=        0.0000056661
 Unscaled step for mode  113=       -0.0016982663
 Unscaled step for mode  114=        0.1001179451
 Largest modulus ratio of non-zero e/values=           156.5510609    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.150704E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.730752E-16    0.100738E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.224918E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.526922E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.220010E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.184856E-15    0.973723E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.160110E-05    0.727066E+03  0.220214E-08 0.100000E-04    0.986669E+00
   8   -0.273883E-05    0.672483E+03  0.407272E-08 0.100000E-04    0.999161E+00
   9    0.642055E-06    0.625615E+03 -0.102628E-08 0.100000E-04    0.985513E+00
  10    0.165691E-05    0.604499E+03 -0.274096E-08 0.100000E-04    0.990562E+00
  11   -0.111803E-05    0.589174E+03  0.189762E-08 0.100000E-04    0.997627E+00
  12    0.200557E-05    0.567194E+03 -0.353595E-08 0.100000E-04    0.984196E+00
  13   -0.232069E-05    0.565787E+03  0.410170E-08 0.100000E-04    0.994482E+00
  14   -0.489473E-05    0.480489E+03  0.101870E-07 0.100000E-04    0.997775E+00
  15    0.183800E-05    0.467434E+03 -0.393210E-08 0.100000E-04    0.993488E+00
  16    0.359973E-05    0.462103E+03 -0.778988E-08 0.100000E-04    0.991876E+00
  17    0.300121E-05    0.441327E+03 -0.680042E-08 0.100000E-04    0.990936E+00
  18    0.453186E-05    0.430506E+03 -0.105268E-07 0.100000E-04    0.999935E+00
  19   -0.118212E-04    0.421294E+03  0.280593E-07 0.100000E-04    0.995506E+00
  20    0.889666E-05    0.407039E+03 -0.218570E-07 0.100000E-04    0.999286E+00
  21    0.699307E-05    0.397880E+03 -0.175758E-07 0.100000E-04    0.997306E+00
  22    0.311189E-05    0.388795E+03 -0.800392E-08 0.100000E-04    0.986126E+00
  23   -0.871027E-06    0.367311E+03  0.237136E-08 0.100000E-04    0.994324E+00
  24    0.831573E-06    0.362693E+03 -0.229278E-08 0.100000E-04    0.972927E+00
  25   -0.145407E-04    0.351615E+03  0.413540E-07 0.100000E-04    0.996285E+00
  26   -0.240146E-04    0.338878E+03  0.708652E-07 0.100000E-04    0.995447E+00
  27   -0.118951E-04    0.324920E+03  0.366091E-07 0.100000E-04    0.996371E+00
  28    0.261206E-05    0.321625E+03 -0.812147E-08 0.100000E-04    0.959422E+00
  29    0.101207E-05    0.319208E+03 -0.317058E-08 0.100000E-04    0.933579E+00
  30   -0.202924E-04    0.315471E+03  0.643243E-07 0.100000E-04    0.997634E+00
  31   -0.697610E-05    0.304868E+03  0.228824E-07 0.100000E-04    0.994079E+00
  32   -0.298274E-05    0.287823E+03  0.103631E-07 0.100000E-04    0.986988E+00
  33    0.798689E-05    0.279344E+03 -0.285916E-07 0.100000E-04    0.993257E+00
  34    0.496680E-05    0.270850E+03 -0.183378E-07 0.100000E-04    0.989915E+00
  35    0.207206E-04    0.266070E+03 -0.778764E-07 0.100000E-04    0.998281E+00
  36    0.860577E-05    0.263302E+03 -0.326841E-07 0.100000E-04    0.991009E+00
  37   -0.116056E-04    0.258436E+03  0.449070E-07 0.100000E-04    0.994756E+00
  38   -0.363077E-05    0.253667E+03  0.143131E-07 0.100000E-04    0.995631E+00
  39   -0.152168E-04    0.242783E+03  0.626767E-07 0.100000E-04    0.996386E+00
  40    0.949903E-05    0.237924E+03 -0.399247E-07 0.100000E-04    0.992933E+00
  41    0.202127E-04    0.235591E+03 -0.857956E-07 0.100000E-04    0.989931E+00
  42    0.630589E-05    0.228707E+03 -0.275719E-07 0.100000E-04    0.994260E+00
  43    0.658147E-05    0.222278E+03 -0.296091E-07 0.100000E-04    0.993209E+00
  44   -0.125030E-04    0.213000E+03  0.586996E-07 0.100000E-04    0.994605E+00
  45    0.265356E-05    0.211764E+03 -0.125307E-07 0.100000E-04    0.994067E+00
  46    0.137194E-04    0.208309E+03 -0.658611E-07 0.100000E-04    0.995143E+00
  47   -0.245377E-04    0.203286E+03  0.120705E-06 0.100000E-04    0.997609E+00
  48    0.169403E-05    0.198041E+03 -0.855397E-08 0.100000E-04    0.984844E+00
  49   -0.158895E-04    0.195507E+03  0.812730E-07 0.100000E-04    0.996517E+00
  50   -0.842729E-05    0.191603E+03  0.439831E-07 0.100000E-04    0.991617E+00
  51   -0.105390E-04    0.185339E+03  0.568632E-07 0.100000E-04    0.997196E+00
  52   -0.626377E-06    0.176375E+03  0.355138E-08 0.100000E-04    0.991676E+00
  53   -0.902518E-05    0.171222E+03  0.527105E-07 0.100000E-04    0.996664E+00
  54    0.873769E-05    0.167734E+03 -0.520924E-07 0.100000E-04    0.994323E+00
  55    0.171188E-04    0.165537E+03 -0.103413E-06 0.100000E-04    0.997859E+00
  56    0.554747E-05    0.159933E+03 -0.346863E-07 0.100000E-04    0.994454E+00
  57   -0.480109E-05    0.153545E+03  0.312682E-07 0.100000E-04    0.992487E+00
  58   -0.165970E-04    0.150966E+03  0.109938E-06 0.100000E-04    0.994698E+00
  59    0.539731E-05    0.149136E+03 -0.361906E-07 0.100000E-04    0.986819E+00
  60   -0.160377E-04    0.143002E+03  0.112150E-06 0.100000E-04    0.998195E+00
  61   -0.147399E-04    0.136965E+03  0.107618E-06 0.100000E-04    0.991575E+00
  62   -0.294275E-04    0.135361E+03  0.217400E-06 0.100000E-04    0.997295E+00
  63    0.201644E-04    0.130844E+03 -0.154110E-06 0.100000E-04    0.995349E+00
  64   -0.113344E-04    0.127705E+03  0.887543E-07 0.100000E-04    0.991129E+00
  65    0.498599E-06    0.126054E+03 -0.395545E-08 0.100000E-04    0.876180E+00
  66   -0.233730E-04    0.125346E+03  0.186468E-06 0.100000E-04    0.995613E+00
  67    0.270067E-05    0.119550E+03 -0.225904E-07 0.100000E-04    0.998397E+00
  68   -0.728789E-05    0.117980E+03  0.617724E-07 0.100000E-04    0.994828E+00
  69   -0.270957E-05    0.116803E+03  0.231978E-07 0.100000E-04    0.983472E+00
  70   -0.167058E-04    0.111711E+03  0.149545E-06 0.100000E-04    0.996624E+00
  71    0.270305E-05    0.108926E+03 -0.248155E-07 0.100000E-04    0.987467E+00
  72   -0.357413E-04    0.105096E+03  0.340082E-06 0.100000E-04    0.993281E+00
  73   -0.179972E-04    0.102957E+03  0.174803E-06 0.100000E-04    0.994579E+00
  74    0.290630E-04    0.100007E+03 -0.290611E-06 0.100000E-04    0.997267E+00
  75   -0.369858E-04    0.967117E+02  0.382434E-06 0.100000E-04    0.993074E+00
  76    0.280306E-04    0.951240E+02 -0.294675E-06 0.100000E-04    0.999090E+00
  77   -0.570737E-04    0.916540E+02  0.622708E-06 0.100000E-04    0.997891E+00
  78    0.156291E-05    0.905750E+02 -0.172554E-07 0.100000E-04    0.989453E+00
  79    0.249924E-04    0.895157E+02 -0.279196E-06 0.100000E-04    0.995713E+00
  80    0.164271E-04    0.847016E+02 -0.193941E-06 0.100000E-04    0.996991E+00
  81   -0.161133E-04    0.809067E+02  0.199159E-06 0.100000E-04    0.995744E+00
  82    0.110071E-04    0.795283E+02 -0.138405E-06 0.100000E-04    0.995176E+00
  83   -0.125937E-04    0.784468E+02  0.160538E-06 0.100000E-04    0.999365E+00
  84    0.251951E-04    0.727470E+02 -0.346339E-06 0.100000E-04    0.992647E+00
  85   -0.364486E-04    0.717635E+02  0.507900E-06 0.100000E-04    0.994873E+00
  86   -0.269671E-04    0.683624E+02  0.394473E-06 0.100000E-04    0.987686E+00
  87    0.277088E-04    0.677384E+02 -0.409055E-06 0.100000E-04    0.984653E+00
  88    0.584145E-06    0.633805E+02 -0.921648E-08 0.100000E-04    0.990305E+00
  89    0.426784E-04    0.611651E+02 -0.697758E-06 0.100000E-04    0.995854E+00
  90    0.205382E-04    0.596585E+02 -0.344263E-06 0.100000E-04    0.991441E+00
  91    0.748020E-06    0.589226E+02 -0.126950E-07 0.100000E-04    0.997233E+00
  92    0.512696E-04    0.559321E+02 -0.916641E-06 0.100000E-04    0.997775E+00
  93   -0.385419E-04    0.532033E+02  0.724427E-06 0.100000E-04    0.998259E+00
  94    0.328420E-04    0.522277E+02 -0.628823E-06 0.100000E-04    0.993484E+00
  95   -0.329664E-04    0.502200E+02  0.656441E-06 0.100000E-04    0.999363E+00
  96   -0.110164E-04    0.478666E+02  0.230149E-06 0.100000E-04    0.994862E+00
  97    0.330505E-04    0.431164E+02 -0.766542E-06 0.100000E-04    0.994199E+00
  98   -0.265290E-04    0.401397E+02  0.660917E-06 0.100000E-04    0.994243E+00
  99    0.880105E-04    0.370401E+02 -0.237609E-05 0.100000E-04    0.992267E+00
 100   -0.693096E-05    0.357397E+02  0.193929E-06 0.100000E-04    0.959422E+00
 101    0.118155E-03    0.356665E+02 -0.331278E-05 0.100000E-04    0.999563E+00
 102    0.770747E-04    0.288829E+02 -0.266853E-05 0.100000E-04    0.994271E+00
 103    0.276147E-04    0.287427E+02 -0.960753E-06 0.100000E-04    0.993706E+00
 104   -0.497166E-04    0.283564E+02  0.175328E-05 0.100000E-04    0.989352E+00
 105   -0.413614E-04    0.229524E+02  0.180205E-05 0.100000E-04    0.995563E+00
 106   -0.278278E-05    0.218723E+02  0.127229E-06 0.100000E-04    0.761506E+00
 107   -0.126270E-03    0.199074E+02  0.634289E-05 0.100000E-04    0.999674E+00
 108   -0.447582E-04    0.168167E+02  0.266153E-05 0.100000E-04    0.984855E+00
 109   -0.767359E-04    0.137712E+02  0.557221E-05 0.100000E-04    0.999557E+00
 110   -0.870745E-03    0.123183E+02  0.100000E-04 0.100000E-04    0.752596E+00
 111   -0.316510E-02    0.100864E+02  0.100000E-04 0.100000E-04    0.472178E+00
 112   -0.543862E-04    0.959846E+01  0.566614E-05 0.100000E-04    0.955568E+00
 113    0.128165E-01    0.754679E+01 -0.130960E-04 0.130960E-04    0.146299E+00
 114    0.469683E+00    0.464427E+01  0.400000E-03 0.400000E-03    0.292483E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1001179451    

 Beginning of optimization cycle  227.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3796673255
 potential> RMS force:                                               0.0441808200   |gradient|=.4717220720    
 Eigenvalues of the Hessian matrix:
   727.12649    672.49605    625.62897    604.50115    589.16699    567.23140 
   565.80574    480.51044    467.41140    462.09440    441.32709    430.49752 
   421.30000    407.04932    397.87610    388.79714    367.31536    362.68315 
   351.60715    338.84544    324.92775    321.62247    319.22143    315.44261 
   304.86140    287.82868    279.33824    270.84691    266.07607    263.31178 
   258.44466    253.67015    242.77672    237.91476    235.59769    228.70717 
   222.25838    213.00583    211.76897    208.29651    203.28957    198.03654 
   195.50650    191.60252    185.32873    176.36180    171.22773    167.73078 
   165.53441    159.92551    153.54759    150.96701    149.13570    143.00536 
   136.96551    135.36624    130.84258    127.70683    126.05441    125.35080 
   119.55118    117.98032    116.80562    111.70361    108.91517    105.09267 
   102.95880    100.00346     96.70434     95.12391     91.66497     90.57007 
    89.52380     84.70410     80.90697     79.53143     78.44497     72.74595 
    71.76731     68.35902     67.73165     63.37990     61.15501     59.65877 
    58.92471     55.93337     53.19889     52.22782     50.21861     47.86460 
    43.11292     40.14195     37.04199     35.73076     35.67282     28.88184 
    28.74229     28.34807     22.95075     21.86985     19.91168     16.81712 
    13.77106     12.31711     10.07630      9.59805      7.54498      4.64131 
overlap for current and previous eigenvector    109 is         0.9999991965
overlap for current and previous eigenvector    110 is         0.9999991043
overlap for current and previous eigenvector    111 is        -0.9999398161
overlap for current and previous eigenvector    112 is         0.9999408648
overlap for current and previous eigenvector    113 is         0.9999974424
overlap for current and previous eigenvector    114 is         0.9999996311
J1,K1,R1,R2,RAT=   7   7   -0.1148282421E-01     2.011316285        0.9885171758    
FOB,PFOB,DIAG,PSTEP=   -0.1619486187E-05   -0.1601099511E-05     727.1264925        0.2202137953E-08
J1,K1,R1,R2,RAT=   8   8   -0.1102232703E-01     2.010984640        0.9889776730    
FOB,PFOB,DIAG,PSTEP=   -0.2769022087E-05   -0.2738833203E-05     672.4960499        0.4072715095E-08
J1,K1,R1,R2,RAT=   9   9    0.5519039343E-02     1.994435222        0.9944352215    
FOB,PFOB,DIAG,PSTEP=    0.6385114611E-06    0.6420550693E-06     625.6289733       -0.1026278802E-08
J1,K1,R1,R2,RAT=  10  10    0.5395327107E-02     1.994598726        0.9945987256    
FOB,PFOB,DIAG,PSTEP=    0.1647966679E-05    0.1656906257E-05     604.5011462       -0.2740956232E-08
J1,K1,R1,R2,RAT=  11  11    0.2852488231E-02     1.997172171        0.9971475118    
FOB,PFOB,DIAG,PSTEP=   -0.1114841655E-05   -0.1118030786E-05     589.1669902        0.1897623287E-08
J1,K1,R1,R2,RAT= 109 109   -0.1615092603E-02     2.001632978        0.9983849074    
FOB,PFOB,DIAG,PSTEP=   -0.7685982055E-04   -0.7673588609E-04     13.77105907        0.5572207593E-05
J1,K1,R1,R2,RAT= 110 110   -0.2472396146         14.38602255        0.7527603854    
FOB,PFOB,DIAG,PSTEP=   -0.9011977365E-03   -0.8707449532E-03     12.31711325        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     63.36471767       -0.5420138399        0.4579861601    
FOB,PFOB,DIAG,PSTEP=    0.3219716243E-02   -0.3165101315E-02     10.07629765        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7293048593E-01     2.073014221        0.9270695141    
FOB,PFOB,DIAG,PSTEP=   -0.5835244459E-04   -0.5438619875E-04     9.598053720        0.5666140596E-05
J1,K1,R1,R2,RAT= 113 113   -0.7080263385         260.1275469        0.2919736615    
FOB,PFOB,DIAG,PSTEP=    0.1288645667E-01    0.1281649727E-01     7.544979378       -0.1309599907E-04
J1,K1,R1,R2,RAT= 114 114    0.9970450656        -506.9785746        0.2954934432E-02
FOB,PFOB,DIAG,PSTEP=    0.4715340731        0.4696830366         4.641306147        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00000      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002      0.00001     -0.00000      0.00002     -0.00001     -0.00002 
     0.00001      0.00003      0.00002     -0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00002      0.00000      0.00004 
     0.00002      0.00003      0.00004      0.00003      0.00006     -0.00000 
     0.00002      0.00002      0.00002     -0.00001      0.00001     -0.00003 
    -0.00004     -0.00003     -0.00003      0.00000      0.00004      0.00002 
    -0.00000     -0.00005      0.00004      0.00003      0.00003      0.00001 
     0.00003     -0.00003      0.00009      0.00001      0.00012      0.00008 
    -0.00003      0.00005      0.00004     -0.00000      0.00013      0.00004 
    -0.00008     -0.00090      0.00322     -0.00006      0.01289      0.47153 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4370129514
 Log product of positive Hessian eigenvalues =          520.1551863937
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6413061465
 Unscaled step for mode    7=        0.0000000022
 Unscaled step for mode    8=        0.0000000041
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000034
 Unscaled step for mode   13=        0.0000000042
 Unscaled step for mode   14=        0.0000000101
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000078
 Unscaled step for mode   17=       -0.0000000068
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000281
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000176
 Unscaled step for mode   22=       -0.0000000081
 Unscaled step for mode   23=        0.0000000023
 Unscaled step for mode   24=       -0.0000000022
 Unscaled step for mode   25=        0.0000000415
 Unscaled step for mode   26=        0.0000000712
 Unscaled step for mode   27=        0.0000000368
 Unscaled step for mode   28=       -0.0000000084
 Unscaled step for mode   29=       -0.0000000033
 Unscaled step for mode   30=        0.0000000646
 Unscaled step for mode   31=        0.0000000231
 Unscaled step for mode   32=        0.0000000105
 Unscaled step for mode   33=       -0.0000000287
 Unscaled step for mode   34=       -0.0000000184
 Unscaled step for mode   35=       -0.0000000781
 Unscaled step for mode   36=       -0.0000000330
 Unscaled step for mode   37=        0.0000000451
 Unscaled step for mode   38=        0.0000000143
 Unscaled step for mode   39=        0.0000000628
 Unscaled step for mode   40=       -0.0000000397
 Unscaled step for mode   41=        0.0000000867
 Unscaled step for mode   42=        0.0000000278
 Unscaled step for mode   43=       -0.0000000299
 Unscaled step for mode   44=        0.0000000593
 Unscaled step for mode   45=       -0.0000000123
 Unscaled step for mode   46=       -0.0000000663
 Unscaled step for mode   47=        0.0000001212
 Unscaled step for mode   48=       -0.0000000087
 Unscaled step for mode   49=        0.0000000818
 Unscaled step for mode   50=        0.0000000438
 Unscaled step for mode   51=        0.0000000572
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000529
 Unscaled step for mode   54=        0.0000000526
 Unscaled step for mode   55=       -0.0000001037
 Unscaled step for mode   56=       -0.0000000347
 Unscaled step for mode   57=        0.0000000315
 Unscaled step for mode   58=       -0.0000001105
 Unscaled step for mode   59=        0.0000000360
 Unscaled step for mode   60=        0.0000001126
 Unscaled step for mode   61=       -0.0000001081
 Unscaled step for mode   62=       -0.0000002176
 Unscaled step for mode   63=       -0.0000001542
 Unscaled step for mode   64=        0.0000000896
 Unscaled step for mode   65=       -0.0000000041
 Unscaled step for mode   66=        0.0000001868
 Unscaled step for mode   67=       -0.0000000230
 Unscaled step for mode   68=        0.0000000619
 Unscaled step for mode   69=       -0.0000000233
 Unscaled step for mode   70=        0.0000001507
 Unscaled step for mode   71=       -0.0000000251
 Unscaled step for mode   72=       -0.0000003415
 Unscaled step for mode   73=       -0.0000001758
 Unscaled step for mode   74=       -0.0000002906
 Unscaled step for mode   75=       -0.0000003854
 Unscaled step for mode   76=       -0.0000002952
 Unscaled step for mode   77=       -0.0000006244
 Unscaled step for mode   78=        0.0000000168
 Unscaled step for mode   79=       -0.0000002769
 Unscaled step for mode   80=       -0.0000001948
 Unscaled step for mode   81=       -0.0000001998
 Unscaled step for mode   82=        0.0000001368
 Unscaled step for mode   83=       -0.0000001615
 Unscaled step for mode   84=        0.0000003475
 Unscaled step for mode   85=        0.0000005084
 Unscaled step for mode   86=        0.0000003889
 Unscaled step for mode   87=        0.0000004152
 Unscaled step for mode   88=       -0.0000000081
 Unscaled step for mode   89=       -0.0000006997
 Unscaled step for mode   90=       -0.0000003443
 Unscaled step for mode   91=        0.0000000126
 Unscaled step for mode   92=        0.0000009197
 Unscaled step for mode   93=       -0.0000007231
 Unscaled step for mode   94=       -0.0000006308
 Unscaled step for mode   95=       -0.0000006545
 Unscaled step for mode   96=       -0.0000002309
 Unscaled step for mode   97=       -0.0000007665
 Unscaled step for mode   98=        0.0000006637
 Unscaled step for mode   99=       -0.0000023838
 Unscaled step for mode  100=       -0.0000001933
 Unscaled step for mode  101=       -0.0000033087
 Unscaled step for mode  102=       -0.0000026757
 Unscaled step for mode  103=        0.0000009490
 Unscaled step for mode  104=       -0.0000017598
 Unscaled step for mode  105=       -0.0000018077
 Unscaled step for mode  106=        0.0000001159
 Unscaled step for mode  107=       -0.0000063341
 Unscaled step for mode  108=       -0.0000026465
 Unscaled step for mode  109=        0.0000055813
 Unscaled step for mode  110=        0.0000731663
 Unscaled step for mode  111=       -0.0003195336
 Unscaled step for mode  112=        0.0000060796
 Unscaled step for mode  113=       -0.0017079462
 Unscaled step for mode  114=        0.1005676067
 Largest modulus ratio of non-zero e/values=           156.6641953    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.414165E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.166533E-15    0.100737E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.659195E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.254137E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.965366E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.396276E-15    0.973725E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.161949E-05    0.727126E+03  0.222724E-08 0.100000E-04    0.988517E+00
   8   -0.276902E-05    0.672496E+03  0.411753E-08 0.100000E-04    0.988978E+00
   9    0.638511E-06    0.625629E+03 -0.102059E-08 0.100000E-04    0.994435E+00
  10    0.164797E-05    0.604501E+03 -0.272616E-08 0.100000E-04    0.994599E+00
  11   -0.111484E-05    0.589167E+03  0.189223E-08 0.100000E-04    0.997148E+00
  12    0.195532E-05    0.567231E+03 -0.344712E-08 0.100000E-04    0.974814E+00
  13   -0.236165E-05    0.565806E+03  0.417396E-08 0.100000E-04    0.982352E+00
  14   -0.486773E-05    0.480510E+03  0.101303E-07 0.100000E-04    0.994394E+00
  15    0.184463E-05    0.467411E+03 -0.394647E-08 0.100000E-04    0.996394E+00
  16    0.361612E-05    0.462094E+03 -0.782551E-08 0.100000E-04    0.995445E+00
  17    0.300202E-05    0.441327E+03 -0.680225E-08 0.100000E-04    0.999730E+00
  18    0.453552E-05    0.430498E+03 -0.105355E-07 0.100000E-04    0.999194E+00
  19   -0.118578E-04    0.421300E+03  0.281457E-07 0.100000E-04    0.996905E+00
  20    0.887708E-05    0.407049E+03 -0.218084E-07 0.100000E-04    0.997749E+00
  21    0.699587E-05    0.397876E+03 -0.175830E-07 0.100000E-04    0.999601E+00
  22    0.314882E-05    0.388797E+03 -0.809888E-08 0.100000E-04    0.988131E+00
  23   -0.846085E-06    0.367315E+03  0.230343E-08 0.100000E-04    0.971342E+00
  24    0.808380E-06    0.362683E+03 -0.222889E-08 0.100000E-04    0.972109E+00
  25   -0.145936E-04    0.351607E+03  0.415054E-07 0.100000E-04    0.996359E+00
  26   -0.241103E-04    0.338845E+03  0.711541E-07 0.100000E-04    0.996018E+00
  27   -0.119483E-04    0.324928E+03  0.367720E-07 0.100000E-04    0.995528E+00
  28    0.270647E-05    0.321622E+03 -0.841504E-08 0.100000E-04    0.963859E+00
  29    0.105077E-05    0.319221E+03 -0.329167E-08 0.100000E-04    0.961766E+00
  30   -0.203780E-04    0.315443E+03  0.646014E-07 0.100000E-04    0.995782E+00
  31   -0.704839E-05    0.304861E+03  0.231200E-07 0.100000E-04    0.989637E+00
  32   -0.301333E-05    0.287829E+03  0.104692E-07 0.100000E-04    0.989743E+00
  33    0.801262E-05    0.279338E+03 -0.286843E-07 0.100000E-04    0.996778E+00
  34    0.499380E-05    0.270847E+03 -0.184377E-07 0.100000E-04    0.994563E+00
  35    0.207924E-04    0.266076E+03 -0.781447E-07 0.100000E-04    0.996533E+00
  36    0.868836E-05    0.263312E+03 -0.329965E-07 0.100000E-04    0.990403E+00
  37   -0.116646E-04    0.258445E+03  0.451337E-07 0.100000E-04    0.994918E+00
  38   -0.362625E-05    0.253670E+03  0.142952E-07 0.100000E-04    0.998735E+00
  39   -0.152546E-04    0.242777E+03  0.628340E-07 0.100000E-04    0.997515E+00
  40    0.944622E-05    0.237915E+03 -0.397042E-07 0.100000E-04    0.994441E+00
  41   -0.204311E-04    0.235598E+03  0.867205E-07 0.100000E-04    0.989192E+00
  42   -0.636117E-05    0.228707E+03  0.278136E-07 0.100000E-04    0.991234E+00
  43    0.665472E-05    0.222258E+03 -0.299414E-07 0.100000E-04    0.988870E+00
  44   -0.126411E-04    0.213006E+03  0.593463E-07 0.100000E-04    0.988953E+00
  45    0.260763E-05    0.211769E+03 -0.123136E-07 0.100000E-04    0.982650E+00
  46    0.138151E-04    0.208297E+03 -0.663241E-07 0.100000E-04    0.993027E+00
  47   -0.246408E-04    0.203290E+03  0.121211E-06 0.100000E-04    0.995798E+00
  48    0.172143E-05    0.198037E+03 -0.869248E-08 0.100000E-04    0.983828E+00
  49   -0.159916E-04    0.195506E+03  0.817959E-07 0.100000E-04    0.993571E+00
  50   -0.840160E-05    0.191603E+03  0.438491E-07 0.100000E-04    0.996952E+00
  51   -0.106062E-04    0.185329E+03  0.572289E-07 0.100000E-04    0.993624E+00
  52   -0.648384E-06    0.176362E+03  0.367644E-08 0.100000E-04    0.964863E+00
  53    0.905439E-05    0.171228E+03 -0.528792E-07 0.100000E-04    0.996764E+00
  54   -0.881871E-05    0.167731E+03  0.525765E-07 0.100000E-04    0.990728E+00
  55    0.171687E-04    0.165534E+03 -0.103717E-06 0.100000E-04    0.997079E+00
  56    0.555384E-05    0.159926E+03 -0.347277E-07 0.100000E-04    0.998852E+00
  57   -0.483216E-05    0.153548E+03  0.314701E-07 0.100000E-04    0.993527E+00
  58    0.166753E-04    0.150967E+03 -0.110456E-06 0.100000E-04    0.995283E+00
  59   -0.536178E-05    0.149136E+03  0.359524E-07 0.100000E-04    0.993419E+00
  60   -0.161082E-04    0.143005E+03  0.112640E-06 0.100000E-04    0.995607E+00
  61    0.148036E-04    0.136966E+03 -0.108083E-06 0.100000E-04    0.995673E+00
  62    0.294622E-04    0.135366E+03 -0.217648E-06 0.100000E-04    0.998819E+00
  63    0.201755E-04    0.130843E+03 -0.154197E-06 0.100000E-04    0.999451E+00
  64   -0.114480E-04    0.127707E+03  0.896428E-07 0.100000E-04    0.989976E+00
  65    0.521147E-06    0.126054E+03 -0.413430E-08 0.100000E-04    0.954778E+00
  66   -0.234165E-04    0.125351E+03  0.186808E-06 0.100000E-04    0.998137E+00
  67    0.275106E-05    0.119551E+03 -0.230116E-07 0.100000E-04    0.981343E+00
  68   -0.730846E-05    0.117980E+03  0.619464E-07 0.100000E-04    0.997178E+00
  69    0.272233E-05    0.116806E+03 -0.233065E-07 0.100000E-04    0.995291E+00
  70   -0.168364E-04    0.111704E+03  0.150724E-06 0.100000E-04    0.992180E+00
  71    0.273821E-05    0.108915E+03 -0.251407E-07 0.100000E-04    0.986994E+00
  72    0.358934E-04    0.105093E+03 -0.341540E-06 0.100000E-04    0.995745E+00
  73    0.181016E-04    0.102959E+03 -0.175814E-06 0.100000E-04    0.994199E+00
  74    0.290624E-04    0.100003E+03 -0.290614E-06 0.100000E-04    0.999980E+00
  75    0.372675E-04    0.967043E+02 -0.385375E-06 0.100000E-04    0.992384E+00
  76    0.280763E-04    0.951239E+02 -0.295155E-06 0.100000E-04    0.998370E+00
  77    0.572322E-04    0.916650E+02 -0.624363E-06 0.100000E-04    0.997222E+00
  78   -0.152606E-05    0.905701E+02  0.168495E-07 0.100000E-04    0.976422E+00
  79    0.247900E-04    0.895238E+02 -0.276909E-06 0.100000E-04    0.991720E+00
  80    0.164988E-04    0.847041E+02 -0.194781E-06 0.100000E-04    0.995639E+00
  81    0.161675E-04    0.809070E+02 -0.199828E-06 0.100000E-04    0.996636E+00
  82   -0.108815E-04    0.795314E+02  0.136820E-06 0.100000E-04    0.988508E+00
  83    0.126662E-04    0.784450E+02 -0.161466E-06 0.100000E-04    0.994243E+00
  84   -0.252809E-04    0.727460E+02  0.347523E-06 0.100000E-04    0.996594E+00
  85   -0.364874E-04    0.717673E+02  0.508413E-06 0.100000E-04    0.998937E+00
  86   -0.265829E-04    0.683590E+02  0.388871E-06 0.100000E-04    0.985749E+00
  87   -0.281210E-04    0.677316E+02  0.415183E-06 0.100000E-04    0.985119E+00
  88    0.513858E-06    0.633799E+02 -0.810759E-08 0.100000E-04    0.879674E+00
  89    0.427922E-04    0.611550E+02 -0.699733E-06 0.100000E-04    0.997334E+00
  90    0.205410E-04    0.596588E+02 -0.344308E-06 0.100000E-04    0.999865E+00
  91   -0.741455E-06    0.589247E+02  0.125831E-07 0.100000E-04    0.991152E+00
  92   -0.514446E-04    0.559334E+02  0.919748E-06 0.100000E-04    0.996587E+00
  93    0.384667E-04    0.531989E+02 -0.723073E-06 0.100000E-04    0.998048E+00
  94    0.329443E-04    0.522278E+02 -0.630780E-06 0.100000E-04    0.996885E+00
  95    0.328659E-04    0.502186E+02 -0.654456E-06 0.100000E-04    0.996950E+00
  96    0.110523E-04    0.478646E+02 -0.230907E-06 0.100000E-04    0.996748E+00
  97    0.330450E-04    0.431129E+02 -0.766477E-06 0.100000E-04    0.999835E+00
  98   -0.266420E-04    0.401420E+02  0.663694E-06 0.100000E-04    0.995743E+00
  99    0.883021E-04    0.370420E+02 -0.238384E-05 0.100000E-04    0.996687E+00
 100    0.690663E-05    0.357308E+02 -0.193297E-06 0.100000E-04    0.996489E+00
 101    0.118029E-03    0.356728E+02 -0.330866E-05 0.100000E-04    0.998577E+00
 102    0.772794E-04    0.288818E+02 -0.267571E-05 0.100000E-04    0.997344E+00
 103   -0.272754E-04    0.287423E+02  0.948964E-06 0.100000E-04    0.987714E+00
 104    0.498864E-04    0.283481E+02 -0.175978E-05 0.100000E-04    0.996583E+00
 105    0.414879E-04    0.229508E+02 -0.180769E-05 0.100000E-04    0.996942E+00
 106   -0.253430E-05    0.218699E+02  0.115881E-06 0.100000E-04    0.910698E+00
 107    0.126124E-03    0.199117E+02 -0.633415E-05 0.100000E-04    0.998406E+00
 108    0.445067E-04    0.168171E+02 -0.264651E-05 0.100000E-04    0.994336E+00
 109   -0.768598E-04    0.137711E+02  0.558126E-05 0.100000E-04    0.998385E+00
 110   -0.901198E-03    0.123171E+02  0.100000E-04 0.100000E-04    0.752760E+00
 111    0.321972E-02    0.100763E+02 -0.100000E-04 0.100000E-04    0.457986E+00
 112   -0.583524E-04    0.959805E+01  0.607961E-05 0.100000E-04    0.927070E+00
 113    0.128865E-01    0.754498E+01 -0.117982E-04 0.117982E-04    0.291974E+00
 114    0.471534E+00    0.464131E+01  0.400000E-03 0.400000E-03    0.295493E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1005676067    

 Beginning of optimization cycle  228.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3794785338
 potential> RMS force:                                               0.0443542467   |gradient|=.4735737627    
 Eigenvalues of the Hessian matrix:
   727.18707    672.50884    625.64329    604.50269    589.15981    567.26859 
   565.82433    480.53228    467.38847    462.08560    441.32708    430.48888 
   421.30627    407.05946    397.87197    388.79894    367.31970    362.67360 
   351.59947    338.81313    324.93526    321.62025    319.23508    315.41445 
   304.85520    287.83447    279.33265    270.84332    266.08197    263.32179 
   258.45324    253.67292    242.77039    237.90588    235.60404    228.70709 
   222.23844    213.01208    211.77355    208.28453    203.29276    198.03245 
   195.50561    191.60223    185.31857    176.34822    171.23363    167.72718 
   165.53155    159.91808    153.54996    150.96788    149.13563    143.00824 
   136.96613    135.37152    130.84093    127.70854    126.05511    125.35555 
   119.55283    117.98096    116.80823    111.69643    108.90420    105.08916 
   102.96039    100.00030     96.69695     95.12383     91.67596     90.56510 
    89.53182     84.70660     80.90719     79.53451     78.44316     72.74500 
    71.77117     68.35579     67.72469     63.37927     61.14498     59.65905 
    58.92686     55.93468     53.19451     52.22793     50.21725     47.86263 
    43.10950     40.14418     37.04400     35.72186     35.67917     28.88082 
    28.74183     28.33976     22.94908     21.86738     19.91604     16.81748 
    13.77094     12.31595     10.06638      9.59754      7.54315      4.63832 
overlap for current and previous eigenvector    109 is         0.9999992062
overlap for current and previous eigenvector    110 is         0.9999991122
overlap for current and previous eigenvector    111 is         0.9999354742
overlap for current and previous eigenvector    112 is         0.9999364571
overlap for current and previous eigenvector    113 is        -0.9999974097
overlap for current and previous eigenvector    114 is        -0.9999996329
J1,K1,R1,R2,RAT=   7   7   -0.1310422795E-01     2.012937611        0.9868957720    
FOB,PFOB,DIAG,PSTEP=   -0.1640710071E-05   -0.1619486187E-05     727.1870732        0.2227241344E-08
J1,K1,R1,R2,RAT=   8   8   -0.8950902621E-03     2.000857053        0.9991049097    
FOB,PFOB,DIAG,PSTEP=   -0.2771500659E-05   -0.2769022087E-05     672.5088400        0.4117529147E-08
J1,K1,R1,R2,RAT=   9   9    0.1529989333E-01     1.984654332        0.9846543321    
FOB,PFOB,DIAG,PSTEP=    0.6287420803E-06    0.6385114611E-06     625.6432926       -0.1020591258E-08
J1,K1,R1,R2,RAT=  10  10   -0.9371726767E-02     2.009366628        0.9906282732    
FOB,PFOB,DIAG,PSTEP=    0.1663411012E-05    0.1647966679E-05     604.5026873       -0.2726159726E-08
J1,K1,R1,R2,RAT=  11  11   -0.2009683060E-02     2.002034053        0.9979903169    
FOB,PFOB,DIAG,PSTEP=   -0.1117082106E-05   -0.1114841655E-05     589.1598113        0.1892233737E-08
J1,K1,R1,R2,RAT= 109 109   -0.6229375194E-03     2.000639644        0.9993770625    
FOB,PFOB,DIAG,PSTEP=   -0.7690769901E-04   -0.7685982055E-04     13.77094403        0.5581257054E-05
J1,K1,R1,R2,RAT= 110 110   -0.2561868758         14.89083625        0.7438131242    
FOB,PFOB,DIAG,PSTEP=   -0.9327495731E-03   -0.9011977365E-03     12.31594572        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5376268394         64.50734832        0.4623731606    
FOB,PFOB,DIAG,PSTEP=    0.3273835781E-02    0.3219716243E-02     10.06637568       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4500810133E-01     2.045116101        0.9549918987    
FOB,PFOB,DIAG,PSTEP=   -0.6097863552E-04   -0.5835244459E-04     9.597535457        0.6079612211E-05
J1,K1,R1,R2,RAT= 113 113     290.4894970       -0.8917682571        0.1082317429    
FOB,PFOB,DIAG,PSTEP=   -0.1296582009E-01    0.1288645667E-01     7.543149329       -0.1179819736E-04
J1,K1,R1,R2,RAT= 114 114    -509.2997245        0.9970345559        0.2965444064E-02
FOB,PFOB,DIAG,PSTEP=   -0.4733838991        0.4715340731         4.638319671        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002     -0.00001     -0.00000      0.00002      0.00001      0.00002 
    -0.00001     -0.00003     -0.00002      0.00001      0.00000      0.00002 
     0.00000     -0.00001     -0.00000     -0.00002     -0.00000      0.00004 
     0.00002     -0.00003      0.00004     -0.00003     -0.00006     -0.00000 
    -0.00002     -0.00002     -0.00002     -0.00001     -0.00001      0.00003 
     0.00004     -0.00003      0.00003      0.00000      0.00004      0.00002 
     0.00000     -0.00005     -0.00004      0.00003      0.00003      0.00001 
     0.00003      0.00003     -0.00009     -0.00001      0.00012      0.00008 
     0.00003     -0.00005     -0.00004      0.00000      0.00013      0.00004 
    -0.00008     -0.00093      0.00327     -0.00006     -0.01297     -0.47338 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4369503479
 Log product of positive Hessian eigenvalues =          520.1523285649
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6383196708
 Unscaled step for mode    7=        0.0000000023
 Unscaled step for mode    8=        0.0000000041
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000034
 Unscaled step for mode   13=        0.0000000042
 Unscaled step for mode   14=        0.0000000101
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000079
 Unscaled step for mode   17=       -0.0000000069
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000283
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000176
 Unscaled step for mode   22=       -0.0000000082
 Unscaled step for mode   23=        0.0000000023
 Unscaled step for mode   24=       -0.0000000022
 Unscaled step for mode   25=        0.0000000417
 Unscaled step for mode   26=        0.0000000715
 Unscaled step for mode   27=        0.0000000369
 Unscaled step for mode   28=       -0.0000000087
 Unscaled step for mode   29=       -0.0000000035
 Unscaled step for mode   30=        0.0000000648
 Unscaled step for mode   31=        0.0000000233
 Unscaled step for mode   32=        0.0000000106
 Unscaled step for mode   33=       -0.0000000289
 Unscaled step for mode   34=       -0.0000000186
 Unscaled step for mode   35=       -0.0000000783
 Unscaled step for mode   36=       -0.0000000333
 Unscaled step for mode   37=        0.0000000454
 Unscaled step for mode   38=        0.0000000142
 Unscaled step for mode   39=        0.0000000631
 Unscaled step for mode   40=       -0.0000000394
 Unscaled step for mode   41=        0.0000000876
 Unscaled step for mode   42=        0.0000000280
 Unscaled step for mode   43=       -0.0000000301
 Unscaled step for mode   44=        0.0000000597
 Unscaled step for mode   45=       -0.0000000124
 Unscaled step for mode   46=       -0.0000000667
 Unscaled step for mode   47=        0.0000001215
 Unscaled step for mode   48=       -0.0000000088
 Unscaled step for mode   49=        0.0000000821
 Unscaled step for mode   50=        0.0000000442
 Unscaled step for mode   51=        0.0000000574
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=        0.0000000531
 Unscaled step for mode   54=       -0.0000000529
 Unscaled step for mode   55=       -0.0000001039
 Unscaled step for mode   56=        0.0000000349
 Unscaled step for mode   57=        0.0000000317
 Unscaled step for mode   58=       -0.0000001110
 Unscaled step for mode   59=       -0.0000000355
 Unscaled step for mode   60=       -0.0000001128
 Unscaled step for mode   61=        0.0000001090
 Unscaled step for mode   62=        0.0000002182
 Unscaled step for mode   63=        0.0000001549
 Unscaled step for mode   64=       -0.0000000904
 Unscaled step for mode   65=       -0.0000000046
 Unscaled step for mode   66=       -0.0000001876
 Unscaled step for mode   67=       -0.0000000230
 Unscaled step for mode   68=        0.0000000623
 Unscaled step for mode   69=        0.0000000237
 Unscaled step for mode   70=        0.0000001512
 Unscaled step for mode   71=        0.0000000255
 Unscaled step for mode   72=       -0.0000003438
 Unscaled step for mode   73=       -0.0000001767
 Unscaled step for mode   74=        0.0000002914
 Unscaled step for mode   75=       -0.0000003881
 Unscaled step for mode   76=        0.0000002954
 Unscaled step for mode   77=        0.0000006255
 Unscaled step for mode   78=        0.0000000166
 Unscaled step for mode   79=        0.0000002757
 Unscaled step for mode   80=        0.0000001953
 Unscaled step for mode   81=        0.0000002007
 Unscaled step for mode   82=        0.0000001361
 Unscaled step for mode   83=        0.0000001614
 Unscaled step for mode   84=       -0.0000003501
 Unscaled step for mode   85=       -0.0000005109
 Unscaled step for mode   86=        0.0000003838
 Unscaled step for mode   87=       -0.0000004212
 Unscaled step for mode   88=       -0.0000000080
 Unscaled step for mode   89=       -0.0000007027
 Unscaled step for mode   90=       -0.0000003472
 Unscaled step for mode   91=       -0.0000000126
 Unscaled step for mode   92=        0.0000009217
 Unscaled step for mode   93=        0.0000007244
 Unscaled step for mode   94=       -0.0000006349
 Unscaled step for mode   95=       -0.0000006549
 Unscaled step for mode   96=       -0.0000002297
 Unscaled step for mode   97=       -0.0000007709
 Unscaled step for mode   98=       -0.0000006674
 Unscaled step for mode   99=        0.0000024017
 Unscaled step for mode  100=        0.0000001912
 Unscaled step for mode  101=       -0.0000033071
 Unscaled step for mode  102=       -0.0000026911
 Unscaled step for mode  103=       -0.0000009423
 Unscaled step for mode  104=        0.0000017792
 Unscaled step for mode  105=        0.0000018156
 Unscaled step for mode  106=       -0.0000001406
 Unscaled step for mode  107=       -0.0000063318
 Unscaled step for mode  108=       -0.0000026061
 Unscaled step for mode  109=        0.0000055848
 Unscaled step for mode  110=        0.0000757351
 Unscaled step for mode  111=       -0.0003252248
 Unscaled step for mode  112=        0.0000063536
 Unscaled step for mode  113=        0.0017188818
 Unscaled step for mode  114=       -0.1010178758
 Largest modulus ratio of non-zero e/values=           156.7781276    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.158077E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.493746E-15    0.100737E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.139038E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.749184E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.128741E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.133276E-15    0.973727E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.164071E-05    0.727187E+03  0.225624E-08 0.100000E-04    0.986896E+00
   8   -0.277150E-05    0.672509E+03  0.412114E-08 0.100000E-04    0.999105E+00
   9    0.628742E-06    0.625643E+03 -0.100495E-08 0.100000E-04    0.984654E+00
  10    0.166341E-05    0.604503E+03 -0.275170E-08 0.100000E-04    0.990628E+00
  11   -0.111708E-05    0.589160E+03  0.189606E-08 0.100000E-04    0.997990E+00
  12    0.192297E-05    0.567269E+03 -0.338987E-08 0.100000E-04    0.983327E+00
  13   -0.237265E-05    0.565824E+03  0.419327E-08 0.100000E-04    0.995340E+00
  14   -0.485674E-05    0.480532E+03  0.101070E-07 0.100000E-04    0.997651E+00
  15    0.183238E-05    0.467388E+03 -0.392046E-08 0.100000E-04    0.993360E+00
  16    0.364508E-05    0.462086E+03 -0.788833E-08 0.100000E-04    0.991991E+00
  17    0.302826E-05    0.441327E+03 -0.686171E-08 0.100000E-04    0.991259E+00
  18    0.453431E-05    0.430489E+03 -0.105329E-07 0.100000E-04    0.999735E+00
  19   -0.119105E-04    0.421306E+03  0.282704E-07 0.100000E-04    0.995555E+00
  20    0.888226E-05    0.407059E+03 -0.218205E-07 0.100000E-04    0.999417E+00
  21    0.701399E-05    0.397872E+03 -0.176288E-07 0.100000E-04    0.997410E+00
  22    0.319217E-05    0.388799E+03 -0.821034E-08 0.100000E-04    0.986234E+00
  23   -0.840477E-06    0.367320E+03  0.228814E-08 0.100000E-04    0.993349E+00
  24    0.784170E-06    0.362674E+03 -0.216219E-08 0.100000E-04    0.970050E+00
  25   -0.146470E-04    0.351599E+03  0.416582E-07 0.100000E-04    0.996340E+00
  26   -0.242192E-04    0.338813E+03  0.714826E-07 0.100000E-04    0.995479E+00
  27   -0.119911E-04    0.324935E+03  0.369029E-07 0.100000E-04    0.996417E+00
  28    0.280886E-05    0.321620E+03 -0.873346E-08 0.100000E-04    0.962167E+00
  29    0.111357E-05    0.319235E+03 -0.348825E-08 0.100000E-04    0.940236E+00
  30   -0.204251E-04    0.315414E+03  0.647565E-07 0.100000E-04    0.997688E+00
  31   -0.709028E-05    0.304855E+03  0.232579E-07 0.100000E-04    0.994057E+00
  32   -0.305264E-05    0.287834E+03  0.106055E-07 0.100000E-04    0.986956E+00
  33    0.806667E-05    0.279333E+03 -0.288784E-07 0.100000E-04    0.993255E+00
  34    0.504387E-05    0.270843E+03 -0.186228E-07 0.100000E-04    0.989975E+00
  35    0.208277E-04    0.266082E+03 -0.782757E-07 0.100000E-04    0.998302E+00
  36    0.876588E-05    0.263322E+03 -0.332896E-07 0.100000E-04    0.991078E+00
  37   -0.117252E-04    0.258453E+03  0.453669E-07 0.100000E-04    0.994799E+00
  38   -0.360952E-05    0.253673E+03  0.142290E-07 0.100000E-04    0.995364E+00
  39   -0.153093E-04    0.242770E+03  0.630608E-07 0.100000E-04    0.996418E+00
  40    0.937037E-05    0.237906E+03 -0.393869E-07 0.100000E-04    0.991969E+00
  41   -0.206363E-04    0.235604E+03  0.875887E-07 0.100000E-04    0.989961E+00
  42   -0.639848E-05    0.228707E+03  0.279768E-07 0.100000E-04    0.994135E+00
  43    0.670001E-05    0.222238E+03 -0.301478E-07 0.100000E-04    0.993193E+00
  44   -0.127099E-04    0.213012E+03  0.596673E-07 0.100000E-04    0.994561E+00
  45    0.262399E-05    0.211774E+03 -0.123906E-07 0.100000E-04    0.993726E+00
  46    0.138823E-04    0.208285E+03 -0.666506E-07 0.100000E-04    0.995135E+00
  47   -0.246992E-04    0.203293E+03  0.121496E-06 0.100000E-04    0.997633E+00
  48    0.174671E-05    0.198032E+03 -0.882030E-08 0.100000E-04    0.985317E+00
  49   -0.160469E-04    0.195506E+03  0.820791E-07 0.100000E-04    0.996543E+00
  50   -0.847091E-05    0.191602E+03  0.442109E-07 0.100000E-04    0.991751E+00
  51   -0.106354E-04    0.185319E+03  0.573896E-07 0.100000E-04    0.997248E+00
  52   -0.653677E-06    0.176348E+03  0.370674E-08 0.100000E-04    0.991835E+00
  53   -0.908407E-05    0.171234E+03  0.530507E-07 0.100000E-04    0.996723E+00
  54    0.886819E-05    0.167727E+03 -0.528727E-07 0.100000E-04    0.994389E+00
  55    0.172050E-04    0.165532E+03 -0.103938E-06 0.100000E-04    0.997891E+00
  56   -0.558550E-05    0.159918E+03  0.349272E-07 0.100000E-04    0.994300E+00
  57   -0.486736E-05    0.153550E+03  0.316989E-07 0.100000E-04    0.992715E+00
  58    0.167622E-04    0.150968E+03 -0.111032E-06 0.100000E-04    0.994788E+00
  59    0.528745E-05    0.149136E+03 -0.354540E-07 0.100000E-04    0.986136E+00
  60    0.161360E-04    0.143008E+03 -0.112833E-06 0.100000E-04    0.998270E+00
  61   -0.149272E-04    0.136966E+03  0.108985E-06 0.100000E-04    0.991652E+00
  62   -0.295403E-04    0.135372E+03  0.218216E-06 0.100000E-04    0.997350E+00
  63   -0.202678E-04    0.130841E+03  0.154904E-06 0.100000E-04    0.995426E+00
  64    0.115481E-04    0.127709E+03 -0.904253E-07 0.100000E-04    0.991257E+00
  65    0.578652E-06    0.126055E+03 -0.459047E-08 0.100000E-04    0.889658E+00
  66    0.235180E-04    0.125356E+03 -0.187610E-06 0.100000E-04    0.995669E+00
  67    0.274784E-05    0.119553E+03 -0.229843E-07 0.100000E-04    0.998801E+00
  68   -0.734563E-05    0.117981E+03  0.622612E-07 0.100000E-04    0.994913E+00
  69   -0.276615E-05    0.116808E+03  0.236811E-07 0.100000E-04    0.983903E+00
  70   -0.168935E-04    0.111696E+03  0.151245E-06 0.100000E-04    0.996608E+00
  71   -0.277249E-05    0.108904E+03  0.254581E-07 0.100000E-04    0.987479E+00
  72    0.361333E-04    0.105089E+03 -0.343835E-06 0.100000E-04    0.993314E+00
  73    0.181979E-04    0.102960E+03 -0.176746E-06 0.100000E-04    0.994681E+00
  74   -0.291400E-04    0.100000E+03  0.291399E-06 0.100000E-04    0.997329E+00
  75    0.375245E-04    0.966970E+02 -0.388063E-06 0.100000E-04    0.993103E+00
  76   -0.280966E-04    0.951238E+02  0.295369E-06 0.100000E-04    0.999278E+00
  77   -0.573463E-04    0.916760E+02  0.625532E-06 0.100000E-04    0.998007E+00
  78   -0.150713E-05    0.905651E+02  0.166414E-07 0.100000E-04    0.987596E+00
  79   -0.246861E-04    0.895318E+02  0.275724E-06 0.100000E-04    0.995630E+00
  80   -0.165462E-04    0.847066E+02  0.195335E-06 0.100000E-04    0.997129E+00
  81   -0.162361E-04    0.809072E+02  0.200676E-06 0.100000E-04    0.995753E+00
  82   -0.108271E-04    0.795345E+02  0.136131E-06 0.100000E-04    0.994924E+00
  83   -0.126569E-04    0.784432E+02  0.161351E-06 0.100000E-04    0.999265E+00
  84    0.254647E-04    0.727450E+02 -0.350055E-06 0.100000E-04    0.992728E+00
  85    0.366704E-04    0.717712E+02 -0.510935E-06 0.100000E-04    0.994985E+00
  86   -0.262378E-04    0.683558E+02  0.383842E-06 0.100000E-04    0.987021E+00
  87    0.285236E-04    0.677247E+02 -0.421171E-06 0.100000E-04    0.985682E+00
  88    0.504694E-06    0.633793E+02 -0.796308E-08 0.100000E-04    0.982166E+00
  89    0.429657E-04    0.611450E+02 -0.702685E-06 0.100000E-04    0.995945E+00
  90    0.207155E-04    0.596590E+02 -0.347231E-06 0.100000E-04    0.991505E+00
  91    0.742279E-06    0.589269E+02 -0.125966E-07 0.100000E-04    0.998889E+00
  92   -0.515539E-04    0.559347E+02  0.921681E-06 0.100000E-04    0.997875E+00
  93   -0.385322E-04    0.531945E+02  0.724365E-06 0.100000E-04    0.998296E+00
  94    0.331572E-04    0.522279E+02 -0.634855E-06 0.100000E-04    0.993538E+00
  95    0.328867E-04    0.502173E+02 -0.654888E-06 0.100000E-04    0.999367E+00
  96    0.109944E-04    0.478626E+02 -0.229707E-06 0.100000E-04    0.994761E+00
  97    0.332317E-04    0.431095E+02 -0.770868E-06 0.100000E-04    0.994350E+00
  98    0.267939E-04    0.401442E+02 -0.667442E-06 0.100000E-04    0.994297E+00
  99   -0.889676E-04    0.370440E+02  0.240167E-05 0.100000E-04    0.992463E+00
 100   -0.682978E-05    0.357219E+02  0.191193E-06 0.100000E-04    0.988870E+00
 101    0.117995E-03    0.356792E+02 -0.330711E-05 0.100000E-04    0.999355E+00
 102    0.777204E-04    0.288808E+02 -0.269107E-05 0.100000E-04    0.994294E+00
 103    0.270832E-04    0.287418E+02 -0.942292E-06 0.100000E-04    0.992953E+00
 104   -0.504208E-04    0.283398E+02  0.177916E-05 0.100000E-04    0.989285E+00
 105   -0.416652E-04    0.229491E+02  0.181555E-05 0.100000E-04    0.995726E+00
 106    0.307534E-05    0.218674E+02 -0.140636E-06 0.100000E-04    0.786487E+00
 107    0.126105E-03    0.199160E+02 -0.633181E-05 0.100000E-04    0.999412E+00
 108    0.438273E-04    0.168175E+02 -0.260605E-05 0.100000E-04    0.984691E+00
 109   -0.769077E-04    0.137709E+02  0.558478E-05 0.100000E-04    0.999377E+00
 110   -0.932750E-03    0.123159E+02  0.100000E-04 0.100000E-04    0.743813E+00
 111    0.327384E-02    0.100664E+02 -0.100000E-04 0.100000E-04    0.462373E+00
 112   -0.609786E-04    0.959754E+01  0.635357E-05 0.100000E-04    0.954992E+00
 113   -0.129658E-01    0.754315E+01  0.128600E-04 0.128600E-04    0.108232E+00
 114   -0.473384E+00    0.463832E+01 -0.400000E-03 0.400000E-03    0.296544E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1010178758    

 Beginning of optimization cycle  229.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3792890179
 potential> RMS force:                                               0.0445275384   |gradient|=.4754240118    
 Eigenvalues of the Hessian matrix:
   727.24763    672.52153    625.65757    604.50420    589.15253    567.30607 
   565.84262    480.55414    467.36553    462.07685    441.32711    430.48034 
   421.31255    407.06958    397.86785    388.80072    367.32409    362.66404 
   351.59187    338.78098    324.94284    321.61806    319.24868    315.38628 
   304.84899    287.84030    279.32706    270.83981    266.08794    263.33183 
   258.46195    253.67570    242.76413    237.89723    235.61022    228.70700 
   222.21850    213.01842    211.77815    208.27258    203.29595    198.02837 
   195.50471    191.60193    185.30841    176.33463    171.23953    167.72361 
   165.52866    159.91060    153.55241    150.96880    149.13541    143.01110 
   136.96677    135.37682    130.83925    127.71030    126.05576    125.36027 
   119.55447    117.98160    116.81081    111.68925    108.89319    105.08563 
   102.96199     99.99716     96.68950     95.12372     91.68700     90.56017 
    89.53976     84.70913     80.90742     79.53759     78.44134     72.74405 
    71.77500     68.35265     67.71755     63.37863     61.13490     59.65934 
    58.92897     55.93597     53.19011     52.22804     50.21589     47.86061 
    43.10610     40.14639     37.04607     35.71286     35.68546     28.87982 
    28.74138     28.33145     22.94746     21.86485     19.92039     16.81783 
    13.77083     12.31479     10.05660      9.59691      7.54128      4.63531 
overlap for current and previous eigenvector    109 is        -0.9999992139
overlap for current and previous eigenvector    110 is        -0.9999991215
overlap for current and previous eigenvector    111 is        -0.9999307318
overlap for current and previous eigenvector    112 is         0.9999316475
overlap for current and previous eigenvector    113 is        -0.9999973710
overlap for current and previous eigenvector    114 is        -0.9999996332
J1,K1,R1,R2,RAT=   7   7   -0.1133219055E-01     2.011165648        0.9886678095    
FOB,PFOB,DIAG,PSTEP=   -0.1659304459E-05   -0.1640710071E-05     727.2476321        0.2256242075E-08
J1,K1,R1,R2,RAT=   8   8   -0.1082826762E-01     2.010790544        0.9891717324    
FOB,PFOB,DIAG,PSTEP=   -0.2801511776E-05   -0.2771500659E-05     672.5215250        0.4121136399E-08
J1,K1,R1,R2,RAT=   9   9    0.6742307319E-02     1.993212062        0.9932120620    
FOB,PFOB,DIAG,PSTEP=    0.6245028112E-06    0.6287420803E-06     625.6575672       -0.1004952962E-08
J1,K1,R1,R2,RAT=  10  10    0.5258047117E-02     1.994736953        0.9947369530    
FOB,PFOB,DIAG,PSTEP=    0.1654664696E-05    0.1663411012E-05     604.5041985       -0.2751701600E-08
J1,K1,R1,R2,RAT=  11  11    0.3175283527E-02     1.996849445        0.9968247165    
FOB,PFOB,DIAG,PSTEP=   -0.1113535098E-05   -0.1117082106E-05     589.1525269        0.1896059584E-08
J1,K1,R1,R2,RAT= 109 109     2.001809708       -0.1793867278E-02    0.9982061327    
FOB,PFOB,DIAG,PSTEP=    0.7704566012E-04   -0.7690769901E-04     13.77083496        0.5584780451E-05
J1,K1,R1,R2,RAT= 110 110     15.40433346       -0.2558891260        0.7441108740    
FOB,PFOB,DIAG,PSTEP=    0.9642617822E-03   -0.9327495731E-03     12.31479025        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     65.65998289       -0.5517931851        0.4482068149    
FOB,PFOB,DIAG,PSTEP=   -0.3329327426E-02    0.3273835781E-02     10.05660208       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7098239865E-01     2.071113509        0.9290176014    
FOB,PFOB,DIAG,PSTEP=   -0.6530676161E-04   -0.6097863552E-04     9.596906332        0.6353572309E-05
J1,K1,R1,R2,RAT= 113 113     268.1325824       -0.7439147175        0.2560852825    
FOB,PFOB,DIAG,PSTEP=    0.1303796574E-01   -0.1296582009E-01     7.541275987        0.1286003512E-04
J1,K1,R1,R2,RAT= 114 114    -511.6253246        0.9970024115        0.2997588532E-02
FOB,PFOB,DIAG,PSTEP=    0.4752324644       -0.4733838991         4.635307899       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00000     -0.00002      0.00001      0.00002 
    -0.00001      0.00003      0.00002     -0.00001     -0.00000      0.00002 
     0.00000      0.00001      0.00000     -0.00002     -0.00000     -0.00004 
    -0.00002      0.00003      0.00004      0.00003      0.00006     -0.00000 
    -0.00002      0.00002      0.00002     -0.00001      0.00001     -0.00003 
     0.00004      0.00003     -0.00003      0.00000      0.00004      0.00002 
    -0.00000     -0.00005     -0.00004      0.00003     -0.00003     -0.00001 
    -0.00003     -0.00003      0.00009      0.00001      0.00012     -0.00008 
    -0.00003      0.00005     -0.00004      0.00000     -0.00013     -0.00004 
     0.00008      0.00096     -0.00333     -0.00007      0.01304      0.47523 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4368886081
 Log product of positive Hessian eigenvalues =          520.1494547181
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6353078993
 Unscaled step for mode    7=        0.0000000023
 Unscaled step for mode    8=        0.0000000042
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000033
 Unscaled step for mode   13=        0.0000000043
 Unscaled step for mode   14=        0.0000000100
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000079
 Unscaled step for mode   17=       -0.0000000069
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000284
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000176
 Unscaled step for mode   22=       -0.0000000083
 Unscaled step for mode   23=        0.0000000022
 Unscaled step for mode   24=       -0.0000000021
 Unscaled step for mode   25=        0.0000000418
 Unscaled step for mode   26=        0.0000000718
 Unscaled step for mode   27=        0.0000000371
 Unscaled step for mode   28=       -0.0000000090
 Unscaled step for mode   29=       -0.0000000036
 Unscaled step for mode   30=        0.0000000650
 Unscaled step for mode   31=        0.0000000235
 Unscaled step for mode   32=        0.0000000107
 Unscaled step for mode   33=       -0.0000000290
 Unscaled step for mode   34=       -0.0000000187
 Unscaled step for mode   35=       -0.0000000785
 Unscaled step for mode   36=       -0.0000000336
 Unscaled step for mode   37=        0.0000000456
 Unscaled step for mode   38=        0.0000000142
 Unscaled step for mode   39=        0.0000000632
 Unscaled step for mode   40=       -0.0000000391
 Unscaled step for mode   41=        0.0000000885
 Unscaled step for mode   42=        0.0000000282
 Unscaled step for mode   43=       -0.0000000305
 Unscaled step for mode   44=        0.0000000603
 Unscaled step for mode   45=       -0.0000000122
 Unscaled step for mode   46=       -0.0000000671
 Unscaled step for mode   47=        0.0000001220
 Unscaled step for mode   48=       -0.0000000090
 Unscaled step for mode   49=        0.0000000826
 Unscaled step for mode   50=        0.0000000441
 Unscaled step for mode   51=        0.0000000578
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=        0.0000000532
 Unscaled step for mode   54=        0.0000000534
 Unscaled step for mode   55=       -0.0000001042
 Unscaled step for mode   56=       -0.0000000350
 Unscaled step for mode   57=       -0.0000000319
 Unscaled step for mode   58=        0.0000001115
 Unscaled step for mode   59=       -0.0000000352
 Unscaled step for mode   60=       -0.0000001133
 Unscaled step for mode   61=        0.0000001095
 Unscaled step for mode   62=       -0.0000002185
 Unscaled step for mode   63=       -0.0000001550
 Unscaled step for mode   64=        0.0000000913
 Unscaled step for mode   65=        0.0000000048
 Unscaled step for mode   66=       -0.0000001879
 Unscaled step for mode   67=       -0.0000000234
 Unscaled step for mode   68=       -0.0000000624
 Unscaled step for mode   69=       -0.0000000238
 Unscaled step for mode   70=        0.0000001524
 Unscaled step for mode   71=        0.0000000258
 Unscaled step for mode   72=        0.0000003453
 Unscaled step for mode   73=        0.0000001777
 Unscaled step for mode   74=       -0.0000002914
 Unscaled step for mode   75=       -0.0000003910
 Unscaled step for mode   76=       -0.0000002958
 Unscaled step for mode   77=       -0.0000006271
 Unscaled step for mode   78=        0.0000000162
 Unscaled step for mode   79=        0.0000002734
 Unscaled step for mode   80=       -0.0000001961
 Unscaled step for mode   81=       -0.0000002014
 Unscaled step for mode   82=        0.0000001345
 Unscaled step for mode   83=       -0.0000001622
 Unscaled step for mode   84=        0.0000003513
 Unscaled step for mode   85=       -0.0000005114
 Unscaled step for mode   86=       -0.0000003781
 Unscaled step for mode   87=        0.0000004270
 Unscaled step for mode   88=       -0.0000000068
 Unscaled step for mode   89=       -0.0000007046
 Unscaled step for mode   90=       -0.0000003473
 Unscaled step for mode   91=        0.0000000125
 Unscaled step for mode   92=        0.0000009247
 Unscaled step for mode   93=        0.0000007230
 Unscaled step for mode   94=       -0.0000006368
 Unscaled step for mode   95=        0.0000006529
 Unscaled step for mode   96=        0.0000002304
 Unscaled step for mode   97=        0.0000007707
 Unscaled step for mode   98=        0.0000006702
 Unscaled step for mode   99=       -0.0000024093
 Unscaled step for mode  100=       -0.0000002066
 Unscaled step for mode  101=       -0.0000033017
 Unscaled step for mode  102=        0.0000026984
 Unscaled step for mode  103=        0.0000009300
 Unscaled step for mode  104=       -0.0000017862
 Unscaled step for mode  105=        0.0000018210
 Unscaled step for mode  106=       -0.0000001298
 Unscaled step for mode  107=        0.0000063218
 Unscaled step for mode  108=        0.0000025914
 Unscaled step for mode  109=       -0.0000055948
 Unscaled step for mode  110=       -0.0000783011
 Unscaled step for mode  111=        0.0003310588
 Unscaled step for mode  112=        0.0000068050
 Unscaled step for mode  113=       -0.0017288754
 Unscaled step for mode  114=        0.1014688803
 Largest modulus ratio of non-zero e/values=           156.8930582    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.473580E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.765447E-15    0.100737E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.978384E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.234188E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.529648E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.426850E-15    0.973728E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.165930E-05    0.727248E+03  0.228162E-08 0.100000E-04    0.988668E+00
   8   -0.280151E-05    0.672522E+03  0.416568E-08 0.100000E-04    0.989172E+00
   9    0.624503E-06    0.625658E+03 -0.998154E-09 0.100000E-04    0.993212E+00
  10    0.165466E-05    0.604504E+03 -0.273723E-08 0.100000E-04    0.994737E+00
  11   -0.111354E-05    0.589153E+03  0.189006E-08 0.100000E-04    0.996825E+00
  12    0.187186E-05    0.567306E+03 -0.329956E-08 0.100000E-04    0.973292E+00
  13   -0.241125E-05    0.565843E+03  0.426134E-08 0.100000E-04    0.983735E+00
  14   -0.482924E-05    0.480554E+03  0.100493E-07 0.100000E-04    0.994247E+00
  15    0.183835E-05    0.467366E+03 -0.393343E-08 0.100000E-04    0.996741E+00
  16    0.366159E-05    0.462077E+03 -0.792421E-08 0.100000E-04    0.995471E+00
  17    0.302880E-05    0.441327E+03 -0.686293E-08 0.100000E-04    0.999822E+00
  18    0.453681E-05    0.430480E+03 -0.105389E-07 0.100000E-04    0.999450E+00
  19   -0.119470E-04    0.421313E+03  0.283565E-07 0.100000E-04    0.996940E+00
  20    0.886193E-05    0.407070E+03 -0.217701E-07 0.100000E-04    0.997662E+00
  21    0.701623E-05    0.397868E+03 -0.176346E-07 0.100000E-04    0.999680E+00
  22    0.323008E-05    0.388801E+03 -0.830780E-08 0.100000E-04    0.988124E+00
  23   -0.814897E-06    0.367324E+03  0.221847E-08 0.100000E-04    0.969541E+00
  24    0.759954E-06    0.362664E+03 -0.209548E-08 0.100000E-04    0.969119E+00
  25   -0.146994E-04    0.351592E+03  0.418080E-07 0.100000E-04    0.996427E+00
  26   -0.243148E-04    0.338781E+03  0.717716E-07 0.100000E-04    0.996052E+00
  27   -0.120439E-04    0.324943E+03  0.370645E-07 0.100000E-04    0.995598E+00
  28    0.290376E-05    0.321618E+03 -0.902860E-08 0.100000E-04    0.966213E+00
  29    0.115249E-05    0.319249E+03 -0.360999E-08 0.100000E-04    0.965056E+00
  30   -0.205098E-04    0.315386E+03  0.650308E-07 0.100000E-04    0.995853E+00
  31   -0.716292E-05    0.304849E+03  0.234966E-07 0.100000E-04    0.989755E+00
  32   -0.308448E-05    0.287840E+03  0.107160E-07 0.100000E-04    0.989567E+00
  33    0.809306E-05    0.279327E+03 -0.289734E-07 0.100000E-04    0.996728E+00
  34    0.507179E-05    0.270840E+03 -0.187262E-07 0.100000E-04    0.994463E+00
  35    0.208991E-04    0.266088E+03 -0.785421E-07 0.100000E-04    0.996574E+00
  36    0.884998E-05    0.263332E+03 -0.336077E-07 0.100000E-04    0.990407E+00
  37   -0.117841E-04    0.258462E+03  0.455933E-07 0.100000E-04    0.994975E+00
  38   -0.360390E-05    0.253676E+03  0.142067E-07 0.100000E-04    0.998420E+00
  39   -0.153471E-04    0.242764E+03  0.632182E-07 0.100000E-04    0.997529E+00
  40    0.930865E-05    0.237897E+03 -0.391289E-07 0.100000E-04    0.993414E+00
  41   -0.208585E-04    0.235610E+03  0.885297E-07 0.100000E-04    0.989231E+00
  42   -0.645516E-05    0.228707E+03  0.282246E-07 0.100000E-04    0.991142E+00
  43    0.677392E-05    0.222218E+03 -0.304831E-07 0.100000E-04    0.988968E+00
  44   -0.128484E-04    0.213018E+03  0.603160E-07 0.100000E-04    0.989098E+00
  45    0.257897E-05    0.211778E+03 -0.121777E-07 0.100000E-04    0.982798E+00
  46    0.139782E-04    0.208273E+03 -0.671150E-07 0.100000E-04    0.993088E+00
  47   -0.248015E-04    0.203296E+03  0.121997E-06 0.100000E-04    0.995856E+00
  48    0.177371E-05    0.198028E+03 -0.895684E-08 0.100000E-04    0.984540E+00
  49   -0.161489E-04    0.195505E+03  0.826010E-07 0.100000E-04    0.993646E+00
  50   -0.844500E-05    0.191602E+03  0.440758E-07 0.100000E-04    0.996941E+00
  51   -0.107018E-04    0.185308E+03  0.577514E-07 0.100000E-04    0.993750E+00
  52   -0.675725E-06    0.176335E+03  0.383206E-08 0.100000E-04    0.966268E+00
  53   -0.911256E-05    0.171240E+03  0.532153E-07 0.100000E-04    0.996863E+00
  54   -0.894905E-05    0.167724E+03  0.533559E-07 0.100000E-04    0.990882E+00
  55    0.172543E-04    0.165529E+03 -0.104238E-06 0.100000E-04    0.997131E+00
  56    0.559347E-05    0.159911E+03 -0.349787E-07 0.100000E-04    0.998573E+00
  57    0.489766E-05    0.153552E+03 -0.318957E-07 0.100000E-04    0.993777E+00
  58   -0.168404E-04    0.150969E+03  0.111549E-06 0.100000E-04    0.995335E+00
  59    0.524902E-05    0.149135E+03 -0.351964E-07 0.100000E-04    0.992733E+00
  60    0.162045E-04    0.143011E+03 -0.113309E-06 0.100000E-04    0.995756E+00
  61   -0.149916E-04    0.136967E+03  0.109454E-06 0.100000E-04    0.995686E+00
  62    0.295740E-04    0.135377E+03 -0.218457E-06 0.100000E-04    0.998858E+00
  63    0.202783E-04    0.130839E+03 -0.154987E-06 0.100000E-04    0.999479E+00
  64   -0.116620E-04    0.127710E+03  0.913157E-07 0.100000E-04    0.990140E+00
  65   -0.604082E-06    0.126056E+03  0.479218E-08 0.100000E-04    0.956053E+00
  66    0.235612E-04    0.125360E+03 -0.187948E-06 0.100000E-04    0.998162E+00
  67    0.279908E-05    0.119554E+03 -0.234126E-07 0.100000E-04    0.981350E+00
  68    0.736594E-05    0.117982E+03 -0.624329E-07 0.100000E-04    0.997236E+00
  69    0.277893E-05    0.116811E+03 -0.237900E-07 0.100000E-04    0.995381E+00
  70   -0.170244E-04    0.111689E+03  0.152427E-06 0.100000E-04    0.992249E+00
  71   -0.280860E-05    0.108893E+03  0.257923E-07 0.100000E-04    0.986973E+00
  72   -0.362881E-04    0.105086E+03  0.345319E-06 0.100000E-04    0.995717E+00
  73   -0.183012E-04    0.102962E+03  0.177747E-06 0.100000E-04    0.994323E+00
  74    0.291387E-04    0.999972E+02 -0.291396E-06 0.100000E-04    0.999956E+00
  75    0.378079E-04    0.966895E+02 -0.391024E-06 0.100000E-04    0.992446E+00
  76    0.281368E-04    0.951237E+02 -0.295792E-06 0.100000E-04    0.998568E+00
  77    0.574968E-04    0.916870E+02 -0.627099E-06 0.100000E-04    0.997375E+00
  78   -0.146923E-05    0.905602E+02  0.162237E-07 0.100000E-04    0.974849E+00
  79   -0.244838E-04    0.895398E+02  0.273440E-06 0.100000E-04    0.991629E+00
  80    0.166155E-04    0.847091E+02 -0.196147E-06 0.100000E-04    0.995812E+00
  81    0.162912E-04    0.809074E+02 -0.201356E-06 0.100000E-04    0.996610E+00
  82   -0.107001E-04    0.795376E+02  0.134529E-06 0.100000E-04    0.988197E+00
  83    0.127268E-04    0.784413E+02 -0.162247E-06 0.100000E-04    0.994472E+00
  84   -0.255516E-04    0.727440E+02  0.351254E-06 0.100000E-04    0.996588E+00
  85    0.367072E-04    0.717750E+02 -0.511421E-06 0.100000E-04    0.998995E+00
  86    0.258466E-04    0.683526E+02 -0.378135E-06 0.100000E-04    0.985086E+00
  87   -0.289170E-04    0.677175E+02  0.427023E-06 0.100000E-04    0.986209E+00
  88    0.432574E-06    0.633786E+02 -0.682524E-08 0.100000E-04    0.857100E+00
  89    0.430771E-04    0.611349E+02 -0.704624E-06 0.100000E-04    0.997406E+00
  90    0.207197E-04    0.596593E+02 -0.347300E-06 0.100000E-04    0.999798E+00
  91   -0.735246E-06    0.589290E+02  0.124768E-07 0.100000E-04    0.990453E+00
  92   -0.517236E-04    0.559360E+02  0.924693E-06 0.100000E-04    0.996709E+00
  93   -0.384571E-04    0.531901E+02  0.723012E-06 0.100000E-04    0.998050E+00
  94    0.332614E-04    0.522280E+02 -0.636849E-06 0.100000E-04    0.996857E+00
  95   -0.327869E-04    0.502159E+02  0.652918E-06 0.100000E-04    0.996965E+00
  96   -0.110285E-04    0.478606E+02  0.230429E-06 0.100000E-04    0.996898E+00
  97   -0.332233E-04    0.431061E+02  0.770732E-06 0.100000E-04    0.999745E+00
  98   -0.269069E-04    0.401464E+02  0.670219E-06 0.100000E-04    0.995785E+00
  99    0.892537E-04    0.370461E+02 -0.240926E-05 0.100000E-04    0.996785E+00
 100    0.737813E-05    0.357129E+02 -0.206596E-06 0.100000E-04    0.919692E+00
 101    0.117824E-03    0.356855E+02 -0.330173E-05 0.100000E-04    0.998198E+00
 102   -0.779300E-04    0.288798E+02  0.269842E-05 0.100000E-04    0.997303E+00
 103   -0.267294E-04    0.287414E+02  0.929997E-06 0.100000E-04    0.986937E+00
 104    0.506068E-04    0.283314E+02 -0.178624E-05 0.100000E-04    0.996311E+00
 105   -0.417871E-04    0.229475E+02  0.182099E-05 0.100000E-04    0.997073E+00
 106    0.283805E-05    0.218649E+02 -0.129799E-06 0.100000E-04    0.922830E+00
 107   -0.125932E-03    0.199204E+02  0.632177E-05 0.100000E-04    0.998196E+00
 108   -0.435824E-04    0.168178E+02  0.259144E-05 0.100000E-04    0.994371E+00
 109    0.770457E-04    0.137708E+02 -0.559484E-05 0.100000E-04    0.998206E+00
 110    0.964262E-03    0.123148E+02 -0.100000E-04 0.100000E-04    0.744111E+00
 111   -0.332933E-02    0.100566E+02  0.100000E-04 0.100000E-04    0.448207E+00
 112   -0.653068E-04    0.959691E+01  0.680498E-05 0.100000E-04    0.929018E+00
 113    0.130380E-01    0.754128E+01 -0.115856E-04 0.115856E-04    0.256085E+00
 114    0.475232E+00    0.463531E+01  0.400000E-03 0.400000E-03    0.299759E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1014688803    

 Beginning of optimization cycle  230.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3790987482
 potential> RMS force:                                               0.0447007392   |gradient|=.4772732906    
 Eigenvalues of the Hessian matrix:
   727.30822    672.53433    625.67186    604.50545    589.14533    567.34358 
   565.86076    480.57609    467.34261    462.06808    441.32716    430.47173 
   421.31874    407.07966    397.86373    388.80245    367.32847    362.65450 
   351.58418    338.74886    324.95040    321.61591    319.26225    315.35809 
   304.84270    287.84613    279.32145    270.83629    266.09395    263.34182 
   258.47054    253.67847    242.75785    237.88873    235.61617    228.70684 
   222.19854    213.02473    211.78272    208.26066    203.29910    198.02426 
   195.50376    191.60163    185.29822    176.32107    171.24546    167.72002 
   165.52574    159.90312    153.55486    150.96977    149.13517    143.01399 
   136.96741    135.38208    130.83760    127.71207    126.05638    125.36497 
   119.55614    117.98225    116.81341    111.68209    108.88224    105.08212 
   102.96359     99.99404     96.68203     95.12360     91.69806     90.55524 
    89.54765     84.71166     80.90763     79.54064     78.43955     72.74314 
    71.77888     68.34970     67.71025     63.37798     61.12486     59.65962 
    58.93110     55.93728     53.18574     52.22816     50.21451     47.85861 
    43.10271     40.14860     37.04821     35.70389     35.69178     28.87883 
    28.74092     28.32314     22.94586     21.86228     19.92479     16.81818 
    13.77073     12.31364     10.04699      9.59615      7.53938      4.63228 
overlap for current and previous eigenvector    109 is         0.9999992235
overlap for current and previous eigenvector    110 is         0.9999991291
overlap for current and previous eigenvector    111 is         0.9999258522
overlap for current and previous eigenvector    112 is        -0.9999266957
overlap for current and previous eigenvector    113 is         0.9999973377
overlap for current and previous eigenvector    114 is        -0.9999996350
J1,K1,R1,R2,RAT=   7   7   -0.1287590169E-01     2.012709286        0.9871240983    
FOB,PFOB,DIAG,PSTEP=   -0.1680671280E-05   -0.1659304459E-05     727.3082226        0.2281622360E-08
J1,K1,R1,R2,RAT=   8   8   -0.9480132821E-03     2.000909937        0.9990519867    
FOB,PFOB,DIAG,PSTEP=   -0.2804167697E-05   -0.2801511776E-05     672.5343287        0.4165683434E-08
J1,K1,R1,R2,RAT=   9   9    0.1633921396E-01     1.983615112        0.9836151117    
FOB,PFOB,DIAG,PSTEP=    0.6142986931E-06    0.6245028112E-06     625.6718557       -0.9981543323E-09
J1,K1,R1,R2,RAT=  10  10   -0.9321331061E-02     2.009317184        0.9906786689    
FOB,PFOB,DIAG,PSTEP=    0.1670088406E-05    0.1654664696E-05     604.5054519       -0.2737226144E-08
J1,K1,R1,R2,RAT=  11  11   -0.1608336514E-02     2.001632774        0.9983916635    
FOB,PFOB,DIAG,PSTEP=   -0.1115326015E-05   -0.1113535098E-05     589.1453282        0.1890062500E-08
J1,K1,R1,R2,RAT= 109 109   -0.8421111074E-03     2.000856784        0.9991578889    
FOB,PFOB,DIAG,PSTEP=    0.7711054065E-04    0.7704566012E-04     13.77073393       -0.5594843040E-05
J1,K1,R1,R2,RAT= 110 110   -0.2646139497         15.92630536        0.7353860503    
FOB,PFOB,DIAG,PSTEP=    0.9968453790E-03    0.9642617822E-03     12.31363531       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5477215990         66.82284004        0.4522784010    
FOB,PFOB,DIAG,PSTEP=   -0.3384356963E-02   -0.3329327426E-02     10.04699050        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.045450655       -0.4529290641E-01    0.9547070936    
FOB,PFOB,DIAG,PSTEP=    0.6826446136E-04   -0.6530676161E-04     9.596149442        0.6804980620E-05
J1,K1,R1,R2,RAT= 113 113   -0.9321329565         299.4599880        0.6786704353E-01
FOB,PFOB,DIAG,PSTEP=    0.1311938606E-01    0.1303796574E-01     7.539382807       -0.1158561722E-04
J1,K1,R1,R2,RAT= 114 114    -513.9547283        0.9969903734        0.3009626609E-02
FOB,PFOB,DIAG,PSTEP=   -0.4770797986        0.4752324644         4.632276981        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00000      0.00002     -0.00001      0.00002 
    -0.00002      0.00003      0.00002      0.00001      0.00000      0.00002 
     0.00000     -0.00001      0.00000     -0.00002     -0.00000      0.00004 
    -0.00002     -0.00003      0.00004      0.00003     -0.00006      0.00000 
    -0.00002     -0.00002     -0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004      0.00003      0.00003     -0.00000      0.00004     -0.00002 
    -0.00000      0.00005      0.00004     -0.00003      0.00003     -0.00001 
    -0.00003     -0.00003     -0.00009      0.00001     -0.00012      0.00008 
     0.00003     -0.00005     -0.00004     -0.00000     -0.00013      0.00004 
     0.00008      0.00100     -0.00338      0.00007      0.01312     -0.47708 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4368226659
 Log product of positive Hessian eigenvalues =          520.1465820744
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6322769812
 Unscaled step for mode    7=        0.0000000023
 Unscaled step for mode    8=        0.0000000042
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000032
 Unscaled step for mode   13=        0.0000000043
 Unscaled step for mode   14=        0.0000000100
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000080
 Unscaled step for mode   17=       -0.0000000069
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000285
 Unscaled step for mode   20=       -0.0000000218
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=       -0.0000000084
 Unscaled step for mode   23=        0.0000000022
 Unscaled step for mode   24=       -0.0000000020
 Unscaled step for mode   25=        0.0000000420
 Unscaled step for mode   26=        0.0000000721
 Unscaled step for mode   27=        0.0000000372
 Unscaled step for mode   28=       -0.0000000093
 Unscaled step for mode   29=       -0.0000000038
 Unscaled step for mode   30=        0.0000000652
 Unscaled step for mode   31=        0.0000000236
 Unscaled step for mode   32=        0.0000000109
 Unscaled step for mode   33=       -0.0000000292
 Unscaled step for mode   34=       -0.0000000189
 Unscaled step for mode   35=       -0.0000000787
 Unscaled step for mode   36=       -0.0000000339
 Unscaled step for mode   37=        0.0000000458
 Unscaled step for mode   38=        0.0000000141
 Unscaled step for mode   39=        0.0000000634
 Unscaled step for mode   40=       -0.0000000388
 Unscaled step for mode   41=        0.0000000894
 Unscaled step for mode   42=        0.0000000284
 Unscaled step for mode   43=       -0.0000000307
 Unscaled step for mode   44=        0.0000000606
 Unscaled step for mode   45=       -0.0000000123
 Unscaled step for mode   46=       -0.0000000674
 Unscaled step for mode   47=        0.0000001223
 Unscaled step for mode   48=       -0.0000000091
 Unscaled step for mode   49=        0.0000000829
 Unscaled step for mode   50=        0.0000000444
 Unscaled step for mode   51=        0.0000000579
 Unscaled step for mode   52=        0.0000000039
 Unscaled step for mode   53=        0.0000000534
 Unscaled step for mode   54=        0.0000000537
 Unscaled step for mode   55=       -0.0000001045
 Unscaled step for mode   56=       -0.0000000352
 Unscaled step for mode   57=       -0.0000000321
 Unscaled step for mode   58=       -0.0000001121
 Unscaled step for mode   59=        0.0000000347
 Unscaled step for mode   60=       -0.0000001135
 Unscaled step for mode   61=        0.0000001104
 Unscaled step for mode   62=       -0.0000002190
 Unscaled step for mode   63=       -0.0000001557
 Unscaled step for mode   64=       -0.0000000921
 Unscaled step for mode   65=       -0.0000000053
 Unscaled step for mode   66=       -0.0000001887
 Unscaled step for mode   67=       -0.0000000234
 Unscaled step for mode   68=        0.0000000627
 Unscaled step for mode   69=       -0.0000000242
 Unscaled step for mode   70=        0.0000001530
 Unscaled step for mode   71=        0.0000000261
 Unscaled step for mode   72=       -0.0000003476
 Unscaled step for mode   73=        0.0000001787
 Unscaled step for mode   74=        0.0000002922
 Unscaled step for mode   75=       -0.0000003937
 Unscaled step for mode   76=       -0.0000002959
 Unscaled step for mode   77=        0.0000006282
 Unscaled step for mode   78=       -0.0000000160
 Unscaled step for mode   79=        0.0000002723
 Unscaled step for mode   80=        0.0000001967
 Unscaled step for mode   81=        0.0000002022
 Unscaled step for mode   82=        0.0000001338
 Unscaled step for mode   83=        0.0000001621
 Unscaled step for mode   84=        0.0000003538
 Unscaled step for mode   85=        0.0000005139
 Unscaled step for mode   86=       -0.0000003730
 Unscaled step for mode   87=       -0.0000004327
 Unscaled step for mode   88=        0.0000000066
 Unscaled step for mode   89=       -0.0000007075
 Unscaled step for mode   90=        0.0000003502
 Unscaled step for mode   91=        0.0000000125
 Unscaled step for mode   92=       -0.0000009265
 Unscaled step for mode   93=       -0.0000007243
 Unscaled step for mode   94=        0.0000006409
 Unscaled step for mode   95=       -0.0000006534
 Unscaled step for mode   96=        0.0000002292
 Unscaled step for mode   97=        0.0000007750
 Unscaled step for mode   98=        0.0000006740
 Unscaled step for mode   99=        0.0000024268
 Unscaled step for mode  100=       -0.0000002685
 Unscaled step for mode  101=        0.0000032953
 Unscaled step for mode  102=       -0.0000027138
 Unscaled step for mode  103=       -0.0000009227
 Unscaled step for mode  104=        0.0000018061
 Unscaled step for mode  105=        0.0000018286
 Unscaled step for mode  106=        0.0000001548
 Unscaled step for mode  107=        0.0000063177
 Unscaled step for mode  108=       -0.0000025516
 Unscaled step for mode  109=       -0.0000055996
 Unscaled step for mode  110=       -0.0000809546
 Unscaled step for mode  111=        0.0003368528
 Unscaled step for mode  112=       -0.0000071137
 Unscaled step for mode  113=       -0.0017401088
 Unscaled step for mode  114=       -0.1019205018
 Largest modulus ratio of non-zero e/values=           157.0087941    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.739426E-16    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.379037E-15    0.100737E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.107120E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.253703E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.340927E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.689010E-16    0.973730E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.168067E-05    0.727308E+03  0.231081E-08 0.100000E-04    0.987124E+00
   8   -0.280417E-05    0.672534E+03  0.416955E-08 0.100000E-04    0.999052E+00
   9    0.614299E-06    0.625672E+03 -0.981822E-09 0.100000E-04    0.983615E+00
  10    0.167009E-05    0.604505E+03 -0.276274E-08 0.100000E-04    0.990679E+00
  11   -0.111533E-05    0.589145E+03  0.189313E-08 0.100000E-04    0.998392E+00
  12    0.183901E-05    0.567344E+03 -0.324144E-08 0.100000E-04    0.982320E+00
  13   -0.242055E-05    0.565861E+03  0.427765E-08 0.100000E-04    0.996140E+00
  14   -0.481765E-05    0.480576E+03  0.100247E-07 0.100000E-04    0.997509E+00
  15    0.182579E-05    0.467343E+03 -0.390674E-08 0.100000E-04    0.993166E+00
  16    0.369047E-05    0.462068E+03 -0.798685E-08 0.100000E-04    0.992114E+00
  17    0.305436E-05    0.441327E+03 -0.692084E-08 0.100000E-04    0.991562E+00
  18    0.453451E-05    0.430472E+03 -0.105338E-07 0.100000E-04    0.999494E+00
  19   -0.119994E-04    0.421319E+03  0.284806E-07 0.100000E-04    0.995610E+00
  20    0.886589E-05    0.407080E+03 -0.217793E-07 0.100000E-04    0.999552E+00
  21    0.703368E-05    0.397864E+03 -0.176786E-07 0.100000E-04    0.997513E+00
  22    0.327433E-05    0.388802E+03 -0.842158E-08 0.100000E-04    0.986300E+00
  23   -0.808558E-06    0.367328E+03  0.220118E-08 0.100000E-04    0.992197E+00
  24    0.734679E-06    0.362655E+03 -0.202584E-08 0.100000E-04    0.966739E+00
  25   -0.147522E-04    0.351584E+03  0.419593E-07 0.100000E-04    0.996403E+00
  26   -0.244239E-04    0.338749E+03  0.721002E-07 0.100000E-04    0.995516E+00
  27   -0.120864E-04    0.324950E+03  0.371947E-07 0.100000E-04    0.996464E+00
  28    0.300658E-05    0.321616E+03 -0.934834E-08 0.100000E-04    0.964593E+00
  29    0.121515E-05    0.319262E+03 -0.380611E-08 0.100000E-04    0.945631E+00
  30   -0.205564E-04    0.315358E+03  0.651842E-07 0.100000E-04    0.997730E+00
  31   -0.720555E-05    0.304843E+03  0.236370E-07 0.100000E-04    0.994048E+00
  32   -0.312502E-05    0.287846E+03  0.108566E-07 0.100000E-04    0.986858E+00
  33    0.814766E-05    0.279321E+03 -0.291695E-07 0.100000E-04    0.993254E+00
  34    0.512241E-05    0.270836E+03 -0.189133E-07 0.100000E-04    0.990019E+00
  35    0.209343E-04    0.266094E+03 -0.786726E-07 0.100000E-04    0.998316E+00
  36    0.892874E-05    0.263342E+03 -0.339055E-07 0.100000E-04    0.991101E+00
  37   -0.118448E-04    0.258471E+03  0.458265E-07 0.100000E-04    0.994853E+00
  38   -0.358633E-05    0.253678E+03  0.141373E-07 0.100000E-04    0.995103E+00
  39   -0.154016E-04    0.242758E+03  0.634443E-07 0.100000E-04    0.996449E+00
  40    0.922427E-05    0.237889E+03 -0.387756E-07 0.100000E-04    0.990935E+00
  41   -0.210673E-04    0.235616E+03  0.894135E-07 0.100000E-04    0.989991E+00
  42   -0.649404E-05    0.228707E+03  0.283946E-07 0.100000E-04    0.993977E+00
  43    0.682011E-05    0.222199E+03 -0.306938E-07 0.100000E-04    0.993180E+00
  44   -0.129190E-04    0.213025E+03  0.606456E-07 0.100000E-04    0.994507E+00
  45    0.259598E-05    0.211783E+03 -0.122578E-07 0.100000E-04    0.993402E+00
  46    0.140464E-04    0.208261E+03 -0.674461E-07 0.100000E-04    0.995125E+00
  47   -0.248597E-04    0.203299E+03  0.122282E-06 0.100000E-04    0.997653E+00
  48    0.179877E-05    0.198024E+03 -0.908360E-08 0.100000E-04    0.985869E+00
  49   -0.162043E-04    0.195504E+03  0.828850E-07 0.100000E-04    0.996567E+00
  50   -0.851344E-05    0.191602E+03  0.444330E-07 0.100000E-04    0.991895E+00
  51   -0.107307E-04    0.185298E+03  0.579103E-07 0.100000E-04    0.997304E+00
  52   -0.681162E-06    0.176321E+03  0.386319E-08 0.100000E-04    0.991953E+00
  53   -0.914171E-05    0.171245E+03  0.533836E-07 0.100000E-04    0.996802E+00
  54   -0.899865E-05    0.167720E+03  0.536528E-07 0.100000E-04    0.994457E+00
  55    0.172902E-04    0.165526E+03 -0.104456E-06 0.100000E-04    0.997918E+00
  56    0.562649E-05    0.159903E+03 -0.351869E-07 0.100000E-04    0.994097E+00
  57    0.493222E-05    0.153555E+03 -0.321202E-07 0.100000E-04    0.992943E+00
  58    0.169267E-04    0.150970E+03 -0.112120E-06 0.100000E-04    0.994872E+00
  59   -0.517233E-05    0.149135E+03  0.346822E-07 0.100000E-04    0.985389E+00
  60    0.162312E-04    0.143014E+03 -0.113494E-06 0.100000E-04    0.998354E+00
  61   -0.151155E-04    0.136967E+03  0.110359E-06 0.100000E-04    0.991733E+00
  62    0.296507E-04    0.135382E+03 -0.219015E-06 0.100000E-04    0.997407E+00
  63    0.203694E-04    0.130838E+03 -0.155685E-06 0.100000E-04    0.995509E+00
  64    0.117624E-04    0.127712E+03 -0.921011E-07 0.100000E-04    0.991385E+00
  65    0.664140E-06    0.126056E+03 -0.526860E-08 0.100000E-04    0.900580E+00
  66    0.236619E-04    0.125365E+03 -0.188744E-06 0.100000E-04    0.995728E+00
  67    0.279721E-05    0.119556E+03 -0.233967E-07 0.100000E-04    0.999304E+00
  68   -0.740274E-05    0.117982E+03  0.627445E-07 0.100000E-04    0.995003E+00
  69    0.282259E-05    0.116813E+03 -0.241633E-07 0.100000E-04    0.984287E+00
  70   -0.170825E-04    0.111682E+03  0.152956E-06 0.100000E-04    0.996590E+00
  71   -0.284377E-05    0.108882E+03  0.261178E-07 0.100000E-04    0.987480E+00
  72    0.365297E-04    0.105082E+03 -0.347630E-06 0.100000E-04    0.993341E+00
  73   -0.183967E-04    0.102964E+03  0.178672E-06 0.100000E-04    0.994783E+00
  74   -0.292149E-04    0.999940E+02  0.292167E-06 0.100000E-04    0.997385E+00
  75    0.380677E-04    0.966820E+02 -0.393741E-06 0.100000E-04    0.993130E+00
  76    0.281517E-04    0.951236E+02 -0.295948E-06 0.100000E-04    0.999472E+00
  77   -0.576045E-04    0.916981E+02  0.628198E-06 0.100000E-04    0.998127E+00
  78    0.144772E-05    0.905552E+02 -0.159872E-07 0.100000E-04    0.985362E+00
  79   -0.243796E-04    0.895476E+02  0.272253E-06 0.100000E-04    0.995568E+00
  80   -0.166606E-04    0.847117E+02  0.196674E-06 0.100000E-04    0.997283E+00
  81   -0.163604E-04    0.809076E+02  0.202211E-06 0.100000E-04    0.995751E+00
  82   -0.106439E-04    0.795406E+02  0.133817E-06 0.100000E-04    0.994664E+00
  83   -0.127159E-04    0.784395E+02  0.162110E-06 0.100000E-04    0.999137E+00
  84   -0.257356E-04    0.727431E+02  0.353787E-06 0.100000E-04    0.992801E+00
  85   -0.368871E-04    0.717789E+02  0.513899E-06 0.100000E-04    0.995101E+00
  86    0.254945E-04    0.683497E+02 -0.373001E-06 0.100000E-04    0.986380E+00
  87    0.293016E-04    0.677102E+02 -0.432750E-06 0.100000E-04    0.986697E+00
  88   -0.419909E-06    0.633780E+02  0.662546E-08 0.100000E-04    0.970720E+00
  89    0.432473E-04    0.611249E+02 -0.707524E-06 0.100000E-04    0.996049E+00
  90   -0.208943E-04    0.596596E+02  0.350225E-06 0.100000E-04    0.991573E+00
  91   -0.734954E-06    0.589311E+02  0.124714E-07 0.100000E-04    0.999532E+00
  92    0.518280E-04    0.559373E+02 -0.926537E-06 0.100000E-04    0.997982E+00
  93    0.385211E-04    0.531857E+02 -0.724274E-06 0.100000E-04    0.998337E+00
  94   -0.334748E-04    0.522282E+02  0.640934E-06 0.100000E-04    0.993583E+00
  95    0.328078E-04    0.502145E+02 -0.653354E-06 0.100000E-04    0.999360E+00
  96   -0.109697E-04    0.478586E+02  0.229211E-06 0.100000E-04    0.994671E+00
  97   -0.334055E-04    0.431027E+02  0.775022E-06 0.100000E-04    0.994513E+00
  98   -0.270590E-04    0.401486E+02  0.673972E-06 0.100000E-04    0.994345E+00
  99   -0.899088E-04    0.370482E+02  0.242681E-05 0.100000E-04    0.992661E+00
 100    0.958474E-05    0.357039E+02 -0.268451E-06 0.100000E-04    0.700851E+00
 101   -0.117614E-03    0.356918E+02  0.329528E-05 0.100000E-04    0.997868E+00
 102    0.783727E-04    0.288788E+02 -0.271385E-05 0.100000E-04    0.994318E+00
 103    0.265203E-04    0.287409E+02 -0.922737E-06 0.100000E-04    0.992177E+00
 104   -0.511534E-04    0.283231E+02  0.180606E-05 0.100000E-04    0.989195E+00
 105   -0.419581E-04    0.229459E+02  0.182857E-05 0.100000E-04    0.995910E+00
 106   -0.338426E-05    0.218623E+02  0.154799E-06 0.100000E-04    0.807516E+00
 107   -0.125878E-03    0.199248E+02  0.631766E-05 0.100000E-04    0.999129E+00
 108    0.429133E-04    0.168182E+02 -0.255160E-05 0.100000E-04    0.984608E+00
 109    0.771105E-04    0.137707E+02 -0.559960E-05 0.100000E-04    0.999158E+00
 110    0.996845E-03    0.123136E+02 -0.100000E-04 0.100000E-04    0.735386E+00
 111   -0.338436E-02    0.100470E+02  0.100000E-04 0.100000E-04    0.452278E+00
 112    0.682645E-04    0.959615E+01 -0.711373E-05 0.100000E-04    0.954707E+00
 113    0.131194E-01    0.753938E+01 -0.126283E-04 0.126283E-04    0.678670E-01
 114   -0.477080E+00    0.463228E+01 -0.400000E-03 0.400000E-03    0.300963E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1019205018    

 Beginning of optimization cycle  231.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3789077552
 potential> RMS force:                                               0.0448738036   |gradient|=.4791211123    
 Eigenvalues of the Hessian matrix:
   727.36879    672.54703    625.68610    604.50667    589.13803    567.38136 
   565.87860    480.59805    467.31967    462.05935    441.32726    430.46322 
   421.32493    407.08971    397.85960    388.80416    367.33290    362.64497 
   351.57654    338.71690    324.95804    321.61379    319.27577    315.32989 
   304.83639    287.85199    279.31584    270.83284    266.10003    263.35183 
   258.47927    253.68125    242.75165    237.88048    235.62195    228.70667 
   222.17857    213.03112    211.78733    208.24877    203.30227    198.02015 
   195.50279    191.60133    185.28804    176.30750    171.25140    167.71647 
   165.52278    159.89560    153.55739    150.97080    149.13478    143.01684 
   136.96807    135.38735    130.83593    127.71390    126.05695    125.36964 
   119.55780    117.98289    116.81598    111.67491    108.87125    105.07860 
   102.96519     99.99092     96.67449     95.12344     91.70916     90.55036 
    89.55545     84.71421     80.90786     79.54369     78.43775     72.74225 
    71.78273     68.34685     67.70277     63.37733     61.11478     59.65992 
    58.93321     55.93858     53.18133     52.22827     50.21314     47.85656 
    43.09935     40.15079     37.05040     35.69814     35.69473     28.87786 
    28.74045     28.31483     22.94431     21.85965     19.92919     16.81850 
    13.77064     12.31249     10.03754      9.59527      7.53745      4.62922 
overlap for current and previous eigenvector    109 is        -0.9999992312
overlap for current and previous eigenvector    110 is         0.9999991379
overlap for current and previous eigenvector    111 is         0.9999205699
overlap for current and previous eigenvector    112 is        -0.9999213395
overlap for current and previous eigenvector    113 is        -0.9999972983
overlap for current and previous eigenvector    114 is         0.9999996351
J1,K1,R1,R2,RAT=   7   7   -0.1119053489E-01     2.011023989        0.9888094651    
FOB,PFOB,DIAG,PSTEP=   -0.1699480457E-05   -0.1680671280E-05     727.3687926        0.2310810228E-08
J1,K1,R1,R2,RAT=   8   8   -0.1063985874E-01     2.010602084        0.9893601413    
FOB,PFOB,DIAG,PSTEP=   -0.2834004208E-05   -0.2804167697E-05     672.5470313        0.4169553251E-08
J1,K1,R1,R2,RAT=   9   9    0.8130566869E-02     1.991823888        0.9918238877    
FOB,PFOB,DIAG,PSTEP=    0.6093039828E-06    0.6142986931E-06     625.6861043       -0.9818224801E-09
J1,K1,R1,R2,RAT=  10  10    0.5112663486E-02     1.994883308        0.9948833081    
FOB,PFOB,DIAG,PSTEP=    0.1661549789E-05    0.1670088406E-05     604.5066695       -0.2762735060E-08
J1,K1,R1,R2,RAT=  11  11    0.3545176362E-02     1.996479605        0.9964548236    
FOB,PFOB,DIAG,PSTEP=   -0.1111372037E-05   -0.1115326015E-05     589.1380283        0.1893125451E-08
J1,K1,R1,R2,RAT= 109 109     2.002016525       -0.2002726953E-02    0.9979972730    
FOB,PFOB,DIAG,PSTEP=   -0.7726497095E-04    0.7711054065E-04     13.77063892       -0.5599595567E-05
J1,K1,R1,R2,RAT= 110 110   -0.2641749066         16.45659774        0.7358250934    
FOB,PFOB,DIAG,PSTEP=    0.1029371893E-02    0.9968453790E-03     12.31249195       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5618337430         67.99580429        0.4381662570    
FOB,PFOB,DIAG,PSTEP=   -0.3440751267E-02   -0.3384356963E-02     10.03754320        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.069068937       -0.6888560245E-01    0.9311143976    
FOB,PFOB,DIAG,PSTEP=   -0.7296646889E-04    0.6826446136E-04     9.595269869       -0.7113734709E-05
J1,K1,R1,R2,RAT= 113 113     276.4419696       -0.7820506035        0.2179493965    
FOB,PFOB,DIAG,PSTEP=   -0.1319382579E-01    0.1311938606E-01     7.537445933       -0.1262832277E-04
J1,K1,R1,R2,RAT= 114 114    0.9969560069        -516.2886286        0.3043993104E-02
FOB,PFOB,DIAG,PSTEP=   -0.4789258505       -0.4770797986         4.629220925       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00002      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001     -0.00000     -0.00002      0.00001      0.00002 
    -0.00002      0.00003      0.00002     -0.00001      0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002      0.00000      0.00004 
    -0.00002     -0.00003      0.00004     -0.00003     -0.00006     -0.00000 
    -0.00002     -0.00002      0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004      0.00003     -0.00003      0.00000     -0.00004      0.00002 
    -0.00000     -0.00005     -0.00004     -0.00003      0.00003     -0.00001 
    -0.00003     -0.00003     -0.00009     -0.00012      0.00001     -0.00008 
     0.00003      0.00005     -0.00004      0.00000     -0.00013     -0.00004 
    -0.00008      0.00103     -0.00344     -0.00007     -0.01319     -0.47893 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4367574617
 Log product of positive Hessian eigenvalues =          520.1436940144
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6292209247
 Unscaled step for mode    7=        0.0000000023
 Unscaled step for mode    8=        0.0000000042
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000031
 Unscaled step for mode   13=        0.0000000043
 Unscaled step for mode   14=        0.0000000100
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000080
 Unscaled step for mode   17=       -0.0000000069
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000286
 Unscaled step for mode   20=       -0.0000000217
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=       -0.0000000085
 Unscaled step for mode   23=        0.0000000021
 Unscaled step for mode   24=       -0.0000000020
 Unscaled step for mode   25=        0.0000000421
 Unscaled step for mode   26=        0.0000000724
 Unscaled step for mode   27=        0.0000000374
 Unscaled step for mode   28=       -0.0000000096
 Unscaled step for mode   29=       -0.0000000039
 Unscaled step for mode   30=        0.0000000655
 Unscaled step for mode   31=        0.0000000239
 Unscaled step for mode   32=        0.0000000110
 Unscaled step for mode   33=       -0.0000000293
 Unscaled step for mode   34=       -0.0000000190
 Unscaled step for mode   35=       -0.0000000789
 Unscaled step for mode   36=       -0.0000000342
 Unscaled step for mode   37=        0.0000000461
 Unscaled step for mode   38=        0.0000000141
 Unscaled step for mode   39=        0.0000000636
 Unscaled step for mode   40=       -0.0000000385
 Unscaled step for mode   41=        0.0000000904
 Unscaled step for mode   42=        0.0000000286
 Unscaled step for mode   43=       -0.0000000310
 Unscaled step for mode   44=        0.0000000613
 Unscaled step for mode   45=       -0.0000000120
 Unscaled step for mode   46=       -0.0000000679
 Unscaled step for mode   47=        0.0000001228
 Unscaled step for mode   48=       -0.0000000092
 Unscaled step for mode   49=        0.0000000834
 Unscaled step for mode   50=        0.0000000443
 Unscaled step for mode   51=        0.0000000583
 Unscaled step for mode   52=        0.0000000040
 Unscaled step for mode   53=        0.0000000535
 Unscaled step for mode   54=        0.0000000541
 Unscaled step for mode   55=       -0.0000001048
 Unscaled step for mode   56=       -0.0000000352
 Unscaled step for mode   57=        0.0000000323
 Unscaled step for mode   58=        0.0000001126
 Unscaled step for mode   59=       -0.0000000344
 Unscaled step for mode   60=       -0.0000001140
 Unscaled step for mode   61=        0.0000001108
 Unscaled step for mode   62=       -0.0000002192
 Unscaled step for mode   63=       -0.0000001558
 Unscaled step for mode   64=        0.0000000930
 Unscaled step for mode   65=       -0.0000000055
 Unscaled step for mode   66=       -0.0000001891
 Unscaled step for mode   67=        0.0000000238
 Unscaled step for mode   68=       -0.0000000629
 Unscaled step for mode   69=        0.0000000243
 Unscaled step for mode   70=        0.0000001541
 Unscaled step for mode   71=       -0.0000000265
 Unscaled step for mode   72=       -0.0000003491
 Unscaled step for mode   73=        0.0000001797
 Unscaled step for mode   74=        0.0000002922
 Unscaled step for mode   75=       -0.0000003967
 Unscaled step for mode   76=        0.0000002963
 Unscaled step for mode   77=        0.0000006297
 Unscaled step for mode   78=        0.0000000156
 Unscaled step for mode   79=        0.0000002700
 Unscaled step for mode   80=        0.0000001975
 Unscaled step for mode   81=       -0.0000002029
 Unscaled step for mode   82=        0.0000001322
 Unscaled step for mode   83=        0.0000001630
 Unscaled step for mode   84=        0.0000003550
 Unscaled step for mode   85=        0.0000005144
 Unscaled step for mode   86=       -0.0000003672
 Unscaled step for mode   87=        0.0000004383
 Unscaled step for mode   88=       -0.0000000055
 Unscaled step for mode   89=        0.0000007094
 Unscaled step for mode   90=       -0.0000003503
 Unscaled step for mode   91=        0.0000000123
 Unscaled step for mode   92=        0.0000009294
 Unscaled step for mode   93=        0.0000007229
 Unscaled step for mode   94=        0.0000006430
 Unscaled step for mode   95=       -0.0000006514
 Unscaled step for mode   96=        0.0000002299
 Unscaled step for mode   97=        0.0000007748
 Unscaled step for mode   98=        0.0000006767
 Unscaled step for mode   99=        0.0000024342
 Unscaled step for mode  100=        0.0000032816
 Unscaled step for mode  101=       -0.0000003619
 Unscaled step for mode  102=        0.0000027214
 Unscaled step for mode  103=       -0.0000009100
 Unscaled step for mode  104=       -0.0000018138
 Unscaled step for mode  105=        0.0000018338
 Unscaled step for mode  106=       -0.0000001445
 Unscaled step for mode  107=        0.0000063062
 Unscaled step for mode  108=        0.0000025375
 Unscaled step for mode  109=        0.0000056108
 Unscaled step for mode  110=       -0.0000836039
 Unscaled step for mode  111=        0.0003427881
 Unscaled step for mode  112=        0.0000076044
 Unscaled step for mode  113=        0.0017504318
 Unscaled step for mode  114=       -0.1023728653
 Largest modulus ratio of non-zero e/values=           157.1255303    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.521284E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.312901E-15    0.100736E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.105168E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.759809E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.533764E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.937103E-15    0.973732E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.169948E-05    0.727369E+03  0.233648E-08 0.100000E-04    0.988809E+00
   8   -0.283400E-05    0.672547E+03  0.421384E-08 0.100000E-04    0.989360E+00
   9    0.609304E-06    0.625686E+03 -0.973817E-09 0.100000E-04    0.991824E+00
  10    0.166155E-05    0.604507E+03 -0.274860E-08 0.100000E-04    0.994883E+00
  11   -0.111137E-05    0.589138E+03  0.188644E-08 0.100000E-04    0.996455E+00
  12    0.178701E-05    0.567381E+03 -0.314957E-08 0.100000E-04    0.971591E+00
  13   -0.245682E-05    0.565879E+03  0.434160E-08 0.100000E-04    0.985018E+00
  14   -0.478961E-05    0.480598E+03  0.996594E-08 0.100000E-04    0.994088E+00
  15    0.183103E-05    0.467320E+03 -0.391815E-08 0.100000E-04    0.997130E+00
  16    0.370709E-05    0.462059E+03 -0.802297E-08 0.100000E-04    0.995497E+00
  17    0.305459E-05    0.441327E+03 -0.692137E-08 0.100000E-04    0.999923E+00
  18    0.453574E-05    0.430463E+03 -0.105369E-07 0.100000E-04    0.999730E+00
  19   -0.120357E-04    0.421325E+03  0.285663E-07 0.100000E-04    0.996978E+00
  20    0.884477E-05    0.407090E+03 -0.217268E-07 0.100000E-04    0.997568E+00
  21    0.703534E-05    0.397860E+03 -0.176830E-07 0.100000E-04    0.999764E+00
  22    0.331331E-05    0.388804E+03 -0.852180E-08 0.100000E-04    0.988095E+00
  23   -0.782264E-06    0.367333E+03  0.212958E-08 0.100000E-04    0.967457E+00
  24    0.709383E-06    0.362645E+03 -0.195614E-08 0.100000E-04    0.965568E+00
  25   -0.148039E-04    0.351577E+03  0.421072E-07 0.100000E-04    0.996498E+00
  26   -0.245194E-04    0.338717E+03  0.723892E-07 0.100000E-04    0.996086E+00
  27   -0.121388E-04    0.324958E+03  0.373549E-07 0.100000E-04    0.995669E+00
  28    0.310197E-05    0.321614E+03 -0.964501E-08 0.100000E-04    0.968272E+00
  29    0.125442E-05    0.319276E+03 -0.392897E-08 0.100000E-04    0.967680E+00
  30   -0.206402E-04    0.315330E+03  0.654560E-07 0.100000E-04    0.995920E+00
  31   -0.727852E-05    0.304836E+03  0.238768E-07 0.100000E-04    0.989874E+00
  32   -0.315824E-05    0.287852E+03  0.109718E-07 0.100000E-04    0.989369E+00
  33    0.817475E-05    0.279316E+03 -0.292670E-07 0.100000E-04    0.996675E+00
  34    0.515133E-05    0.270833E+03 -0.190203E-07 0.100000E-04    0.994355E+00
  35    0.210052E-04    0.266100E+03 -0.789374E-07 0.100000E-04    0.996611E+00
  36    0.901450E-05    0.263352E+03 -0.342299E-07 0.100000E-04    0.990396E+00
  37   -0.119036E-04    0.258479E+03  0.460525E-07 0.100000E-04    0.995035E+00
  38   -0.357957E-05    0.253681E+03  0.141105E-07 0.100000E-04    0.998095E+00
  39   -0.154395E-04    0.242752E+03  0.636019E-07 0.100000E-04    0.997542E+00
  40    0.915334E-05    0.237880E+03 -0.384787E-07 0.100000E-04    0.992310E+00
  41   -0.212933E-04    0.235622E+03  0.903706E-07 0.100000E-04    0.989272E+00
  42   -0.655229E-05    0.228707E+03  0.286493E-07 0.100000E-04    0.991031E+00
  43    0.689467E-05    0.222179E+03 -0.310321E-07 0.100000E-04    0.989067E+00
  44   -0.130582E-04    0.213031E+03  0.612970E-07 0.100000E-04    0.989228E+00
  45    0.255193E-05    0.211787E+03 -0.120495E-07 0.100000E-04    0.982986E+00
  46    0.141426E-04    0.208249E+03 -0.679123E-07 0.100000E-04    0.993145E+00
  47   -0.249614E-04    0.203302E+03  0.122780E-06 0.100000E-04    0.995909E+00
  48    0.182529E-05    0.198020E+03 -0.921770E-08 0.100000E-04    0.985258E+00
  49   -0.163061E-04    0.195503E+03  0.834059E-07 0.100000E-04    0.993719E+00
  50   -0.848726E-05    0.191601E+03  0.442964E-07 0.100000E-04    0.996924E+00
  51   -0.107963E-04    0.185288E+03  0.582678E-07 0.100000E-04    0.993881E+00
  52   -0.703265E-06    0.176308E+03  0.398885E-08 0.100000E-04    0.967549E+00
  53   -0.916940E-05    0.171251E+03  0.535435E-07 0.100000E-04    0.996971E+00
  54   -0.907931E-05    0.167716E+03  0.541349E-07 0.100000E-04    0.991036E+00
  55    0.173390E-04    0.165523E+03 -0.104753E-06 0.100000E-04    0.997180E+00
  56    0.563627E-05    0.159896E+03 -0.352497E-07 0.100000E-04    0.998262E+00
  57   -0.496161E-05    0.153557E+03  0.323111E-07 0.100000E-04    0.994041E+00
  58   -0.170048E-04    0.150971E+03  0.112637E-06 0.100000E-04    0.995386E+00
  59    0.513093E-05    0.149135E+03 -0.344047E-07 0.100000E-04    0.991997E+00
  60    0.162976E-04    0.143017E+03 -0.113956E-06 0.100000E-04    0.995909E+00
  61   -0.151805E-04    0.136968E+03  0.110833E-06 0.100000E-04    0.995701E+00
  62    0.296835E-04    0.135387E+03 -0.219248E-06 0.100000E-04    0.998896E+00
  63    0.203794E-04    0.130836E+03 -0.155763E-06 0.100000E-04    0.999508E+00
  64   -0.118765E-04    0.127714E+03  0.929929E-07 0.100000E-04    0.990304E+00
  65    0.692464E-06    0.126057E+03 -0.549326E-08 0.100000E-04    0.957353E+00
  66    0.237047E-04    0.125370E+03 -0.189079E-06 0.100000E-04    0.998188E+00
  67   -0.284951E-05    0.119558E+03  0.238337E-07 0.100000E-04    0.981305E+00
  68    0.742272E-05    0.117983E+03 -0.629135E-07 0.100000E-04    0.997302E+00
  69   -0.283538E-05    0.116816E+03  0.242722E-07 0.100000E-04    0.995469E+00
  70   -0.172138E-04    0.111675E+03  0.154142E-06 0.100000E-04    0.992315E+00
  71    0.288089E-05    0.108871E+03 -0.264614E-07 0.100000E-04    0.986944E+00
  72    0.366874E-04    0.105079E+03 -0.349142E-06 0.100000E-04    0.995684E+00
  73   -0.184988E-04    0.102965E+03  0.179661E-06 0.100000E-04    0.994449E+00
  74   -0.292130E-04    0.999909E+02  0.292156E-06 0.100000E-04    0.999934E+00
  75    0.383529E-04    0.966745E+02 -0.396722E-06 0.100000E-04    0.992507E+00
  76   -0.281861E-04    0.951234E+02  0.296311E-06 0.100000E-04    0.998775E+00
  77   -0.577468E-04    0.917092E+02  0.629673E-06 0.100000E-04    0.997531E+00
  78   -0.140847E-05    0.905504E+02  0.155545E-07 0.100000E-04    0.972886E+00
  79   -0.241779E-04    0.895555E+02  0.269977E-06 0.100000E-04    0.991555E+00
  80   -0.167274E-04    0.847142E+02  0.197456E-06 0.100000E-04    0.995993E+00
  81    0.164164E-04    0.809079E+02 -0.202903E-06 0.100000E-04    0.996577E+00
  82   -0.105156E-04    0.795437E+02  0.132199E-06 0.100000E-04    0.987872E+00
  83   -0.127830E-04    0.784377E+02  0.162970E-06 0.100000E-04    0.994719E+00
  84   -0.258236E-04    0.727422E+02  0.355001E-06 0.100000E-04    0.996579E+00
  85   -0.369219E-04    0.717827E+02  0.514356E-06 0.100000E-04    0.999057E+00
  86    0.250982E-04    0.683468E+02 -0.367218E-06 0.100000E-04    0.984453E+00
  87   -0.296748E-04    0.677028E+02  0.438310E-06 0.100000E-04    0.987263E+00
  88    0.345789E-06    0.633773E+02 -0.545603E-08 0.100000E-04    0.823484E+00
  89   -0.433560E-04    0.611148E+02  0.709419E-06 0.100000E-04    0.997486E+00
  90    0.208999E-04    0.596599E+02 -0.350317E-06 0.100000E-04    0.999732E+00
  91   -0.727494E-06    0.589332E+02  0.123444E-07 0.100000E-04    0.989779E+00
  92   -0.519919E-04    0.559386E+02  0.929447E-06 0.100000E-04    0.996836E+00
  93   -0.384460E-04    0.531813E+02  0.722923E-06 0.100000E-04    0.998052E+00
  94   -0.335811E-04    0.522283E+02  0.642968E-06 0.100000E-04    0.996824E+00
  95    0.327091E-04    0.502131E+02 -0.651405E-06 0.100000E-04    0.996989E+00
  96   -0.110022E-04    0.478566E+02  0.229899E-06 0.100000E-04    0.997040E+00
  97   -0.333937E-04    0.430993E+02  0.774807E-06 0.100000E-04    0.999645E+00
  98   -0.271719E-04    0.401508E+02  0.676745E-06 0.100000E-04    0.995830E+00
  99   -0.901889E-04    0.370504E+02  0.243422E-05 0.100000E-04    0.996885E+00
 100   -0.117146E-03    0.356981E+02  0.328157E-05 0.100000E-04    0.102239E+02
 101    0.129168E-04    0.356947E+02 -0.361867E-06 0.109000E-04    0.109731E+00
 102   -0.785868E-04    0.288779E+02  0.272135E-05 0.100000E-04    0.997268E+00
 103    0.261525E-04    0.287405E+02 -0.909953E-06 0.100000E-04    0.986130E+00
 104    0.513567E-04    0.283148E+02 -0.181377E-05 0.100000E-04    0.996025E+00
 105   -0.420746E-04    0.229443E+02  0.183377E-05 0.100000E-04    0.997222E+00
 106    0.315843E-05    0.218597E+02 -0.144487E-06 0.100000E-04    0.933263E+00
 107   -0.125677E-03    0.199292E+02  0.630620E-05 0.100000E-04    0.997965E+00
 108   -0.426769E-04    0.168185E+02  0.253750E-05 0.100000E-04    0.994453E+00
 109   -0.772650E-04    0.137706E+02  0.561085E-05 0.100000E-04    0.997997E+00
 110    0.102937E-02    0.123125E+02 -0.100000E-04 0.100000E-04    0.735825E+00
 111   -0.344075E-02    0.100375E+02  0.100000E-04 0.100000E-04    0.438166E+00
 112   -0.729665E-04    0.959527E+01  0.760442E-05 0.100000E-04    0.931114E+00
 113   -0.131938E-01    0.753745E+01  0.113769E-04 0.113769E-04    0.217949E+00
 114   -0.478926E+00    0.462922E+01 -0.400000E-03 0.400000E-03    0.304399E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1023728653    

 Beginning of optimization cycle  232.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3787160095
 potential> RMS force:                                               0.0450467750   |gradient|=.4809679415    
 Eigenvalues of the Hessian matrix:
   727.42939    672.55985    625.70037    604.50763    589.13081    567.41917 
   565.89630    480.62009    467.29674    462.05062    441.32738    430.45463 
   421.33103    407.09973    397.85547    388.80581    367.33732    362.63545 
   351.56883    338.68498    324.96566    321.61170    319.28926    315.30167 
   304.83000    287.85786    279.31021    270.82939    266.10613    263.36179 
   258.48787    253.68401    242.74542    237.87237    235.62748    228.70643 
   222.15859    213.03749    211.79191    208.23691    203.30539    198.01600 
   195.50178    191.60103    185.27783    176.29395    171.25737    167.71291 
   165.51979    159.88808    153.55993    150.97188    149.13436    143.01972 
   136.96873    135.39259    130.83428    127.71573    126.05749    125.37428 
   119.55949    117.98354    116.81857    111.66775    108.86032    105.07511 
   102.96679     99.98783     96.66693     95.12327     91.72027     90.54549 
    89.56320     84.71677     80.90807     79.54672     78.43596     72.74139 
    71.78662     68.34418     67.69514     63.37667     61.10474     59.66022 
    58.93533     55.93990     53.17696     52.22841     50.21176     47.85454 
    43.09600     40.15299     37.05267     35.70438     35.68574     28.87691 
    28.73998     28.30654     22.94278     21.85697     19.93364     16.81882 
    13.77055     12.31135     10.02827      9.59425      7.53549      4.62615 
overlap for current and previous eigenvector    109 is        -0.9999992408
overlap for current and previous eigenvector    110 is        -0.9999991452
overlap for current and previous eigenvector    111 is        -0.9999151892
overlap for current and previous eigenvector    112 is         0.9999158794
overlap for current and previous eigenvector    113 is        -0.9999972645
overlap for current and previous eigenvector    114 is         0.9999996367
J1,K1,R1,R2,RAT=   7   7   -0.1266218399E-01     2.012495568        0.9873378160    
FOB,PFOB,DIAG,PSTEP=   -0.1721001384E-05   -0.1699480457E-05     727.4293932        0.2336477003E-08
J1,K1,R1,R2,RAT=   8   8   -0.9991019735E-03     2.000960973        0.9990008980    
FOB,PFOB,DIAG,PSTEP=   -0.2836835722E-05   -0.2834004208E-05     672.5598534        0.4213837957E-08
J1,K1,R1,R2,RAT=   9   9    0.1757468671E-01     1.982379715        0.9823797148    
FOB,PFOB,DIAG,PSTEP=    0.5985954120E-06    0.6093039828E-06     625.7003698       -0.9738173480E-09
J1,K1,R1,R2,RAT=  10  10   -0.9279388440E-02     2.009276219        0.9907206116    
FOB,PFOB,DIAG,PSTEP=    0.1676967979E-05    0.1661549789E-05     604.5076276       -0.2748604560E-08
J1,K1,R1,R2,RAT=  11  11   -0.1167073209E-02     2.001191563        0.9988329268    
FOB,PFOB,DIAG,PSTEP=   -0.1112669073E-05   -0.1111372037E-05     589.1308145        0.1886437445E-08
J1,K1,R1,R2,RAT= 109 109     2.001104891       -0.1092255910E-02    0.9989077441    
FOB,PFOB,DIAG,PSTEP=    0.7734936354E-04   -0.7726497095E-04     13.77055193        0.5610848660E-05
J1,K1,R1,R2,RAT= 110 110     16.99499552       -0.2726704382        0.7273295618    
FOB,PFOB,DIAG,PSTEP=   -0.1062941302E-02    0.1029371893E-02     12.31134890       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     69.17909284       -0.5580833447        0.4419166553    
FOB,PFOB,DIAG,PSTEP=    0.3496717392E-02   -0.3440751267E-02     10.02827353        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4516289933E-01     2.045375357        0.9548371007    
FOB,PFOB,DIAG,PSTEP=   -0.7626149615E-04   -0.7296646889E-04     9.594250684        0.7604420707E-05
J1,K1,R1,R2,RAT= 113 113     308.7737469       -0.9751400460        0.2485995397E-01
FOB,PFOB,DIAG,PSTEP=    0.1327742479E-01   -0.1319382579E-01     7.535488234        0.1137686736E-04
J1,K1,R1,R2,RAT= 114 114    0.9969422364        -518.6263944        0.3057763621E-02
FOB,PFOB,DIAG,PSTEP=   -0.4807706505       -0.4789258505         4.626145677       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00000     -0.00002     -0.00001     -0.00002 
    -0.00002      0.00003     -0.00002      0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00004 
     0.00002     -0.00003      0.00004     -0.00003      0.00006      0.00000 
    -0.00002      0.00002      0.00002      0.00001      0.00001     -0.00003 
    -0.00004     -0.00002      0.00003      0.00000      0.00004      0.00002 
     0.00000      0.00005      0.00004     -0.00003     -0.00003      0.00001 
     0.00003      0.00003      0.00009     -0.00012      0.00000     -0.00008 
     0.00003      0.00005      0.00004      0.00000      0.00013      0.00004 
     0.00008     -0.00106      0.00350     -0.00008      0.01328     -0.48077 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4366880202
 Log product of positive Hessian eigenvalues =          520.1408073748
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6261456767
 Unscaled step for mode    7=        0.0000000024
 Unscaled step for mode    8=        0.0000000042
 Unscaled step for mode    9=       -0.0000000010
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000031
 Unscaled step for mode   13=        0.0000000044
 Unscaled step for mode   14=        0.0000000099
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000081
 Unscaled step for mode   17=       -0.0000000070
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000287
 Unscaled step for mode   20=       -0.0000000217
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=       -0.0000000086
 Unscaled step for mode   23=        0.0000000021
 Unscaled step for mode   24=       -0.0000000019
 Unscaled step for mode   25=        0.0000000423
 Unscaled step for mode   26=        0.0000000727
 Unscaled step for mode   27=        0.0000000375
 Unscaled step for mode   28=       -0.0000000100
 Unscaled step for mode   29=       -0.0000000041
 Unscaled step for mode   30=        0.0000000656
 Unscaled step for mode   31=        0.0000000240
 Unscaled step for mode   32=        0.0000000111
 Unscaled step for mode   33=       -0.0000000295
 Unscaled step for mode   34=       -0.0000000192
 Unscaled step for mode   35=       -0.0000000791
 Unscaled step for mode   36=       -0.0000000345
 Unscaled step for mode   37=        0.0000000463
 Unscaled step for mode   38=        0.0000000140
 Unscaled step for mode   39=        0.0000000638
 Unscaled step for mode   40=       -0.0000000381
 Unscaled step for mode   41=        0.0000000913
 Unscaled step for mode   42=        0.0000000288
 Unscaled step for mode   43=       -0.0000000312
 Unscaled step for mode   44=        0.0000000616
 Unscaled step for mode   45=       -0.0000000121
 Unscaled step for mode   46=       -0.0000000682
 Unscaled step for mode   47=        0.0000001231
 Unscaled step for mode   48=       -0.0000000093
 Unscaled step for mode   49=        0.0000000837
 Unscaled step for mode   50=        0.0000000446
 Unscaled step for mode   51=        0.0000000584
 Unscaled step for mode   52=        0.0000000040
 Unscaled step for mode   53=        0.0000000537
 Unscaled step for mode   54=        0.0000000544
 Unscaled step for mode   55=       -0.0000001050
 Unscaled step for mode   56=       -0.0000000355
 Unscaled step for mode   57=       -0.0000000325
 Unscaled step for mode   58=        0.0000001132
 Unscaled step for mode   59=        0.0000000339
 Unscaled step for mode   60=        0.0000001141
 Unscaled step for mode   61=        0.0000001117
 Unscaled step for mode   62=       -0.0000002198
 Unscaled step for mode   63=        0.0000001565
 Unscaled step for mode   64=       -0.0000000938
 Unscaled step for mode   65=        0.0000000060
 Unscaled step for mode   66=       -0.0000001899
 Unscaled step for mode   67=        0.0000000238
 Unscaled step for mode   68=       -0.0000000632
 Unscaled step for mode   69=        0.0000000246
 Unscaled step for mode   70=        0.0000001547
 Unscaled step for mode   71=        0.0000000268
 Unscaled step for mode   72=        0.0000003515
 Unscaled step for mode   73=       -0.0000001806
 Unscaled step for mode   74=        0.0000002929
 Unscaled step for mode   75=       -0.0000003995
 Unscaled step for mode   76=        0.0000002964
 Unscaled step for mode   77=       -0.0000006307
 Unscaled step for mode   78=       -0.0000000153
 Unscaled step for mode   79=        0.0000002688
 Unscaled step for mode   80=       -0.0000001980
 Unscaled step for mode   81=       -0.0000002038
 Unscaled step for mode   82=       -0.0000001315
 Unscaled step for mode   83=       -0.0000001628
 Unscaled step for mode   84=        0.0000003575
 Unscaled step for mode   85=        0.0000005168
 Unscaled step for mode   86=        0.0000003620
 Unscaled step for mode   87=       -0.0000004438
 Unscaled step for mode   88=       -0.0000000052
 Unscaled step for mode   89=       -0.0000007123
 Unscaled step for mode   90=       -0.0000003532
 Unscaled step for mode   91=       -0.0000000123
 Unscaled step for mode   92=       -0.0000009312
 Unscaled step for mode   93=       -0.0000007242
 Unscaled step for mode   94=        0.0000006471
 Unscaled step for mode   95=        0.0000006518
 Unscaled step for mode   96=       -0.0000002287
 Unscaled step for mode   97=       -0.0000007790
 Unscaled step for mode   98=       -0.0000006805
 Unscaled step for mode   99=       -0.0000024515
 Unscaled step for mode  100=        0.0000032990
 Unscaled step for mode  101=       -0.0000000302
 Unscaled step for mode  102=        0.0000027368
 Unscaled step for mode  103=       -0.0000009021
 Unscaled step for mode  104=       -0.0000018341
 Unscaled step for mode  105=       -0.0000018410
 Unscaled step for mode  106=       -0.0000001697
 Unscaled step for mode  107=       -0.0000063002
 Unscaled step for mode  108=       -0.0000024984
 Unscaled step for mode  109=       -0.0000056170
 Unscaled step for mode  110=        0.0000863383
 Unscaled step for mode  111=       -0.0003486858
 Unscaled step for mode  112=        0.0000079487
 Unscaled step for mode  113=       -0.0017619805
 Unscaled step for mode  114=       -0.1028258555
 Largest modulus ratio of non-zero e/values=           157.2430797    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.903357E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.123382E-15    0.100736E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.313118E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.104344E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.237504E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.232236E-15    0.973733E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172100E-05    0.727429E+03  0.236587E-08 0.100000E-04    0.987338E+00
   8   -0.283684E-05    0.672560E+03  0.421797E-08 0.100000E-04    0.999001E+00
   9    0.598595E-06    0.625700E+03 -0.956681E-09 0.100000E-04    0.982380E+00
  10    0.167697E-05    0.604508E+03 -0.277411E-08 0.100000E-04    0.990721E+00
  11   -0.111267E-05    0.589131E+03  0.188866E-08 0.100000E-04    0.998833E+00
  12    0.175356E-05    0.567419E+03 -0.309042E-08 0.100000E-04    0.981152E+00
  13   -0.246446E-05    0.565896E+03  0.435496E-08 0.100000E-04    0.996891E+00
  14   -0.477738E-05    0.480620E+03  0.994002E-08 0.100000E-04    0.997354E+00
  15    0.181807E-05    0.467297E+03 -0.389060E-08 0.100000E-04    0.992920E+00
  16    0.373588E-05    0.462051E+03 -0.808544E-08 0.100000E-04    0.992232E+00
  17    0.307945E-05    0.441327E+03 -0.697770E-08 0.100000E-04    0.991861E+00
  18    0.453223E-05    0.430455E+03 -0.105289E-07 0.100000E-04    0.999227E+00
  19   -0.120878E-04    0.421331E+03  0.286896E-07 0.100000E-04    0.995667E+00
  20    0.884749E-05    0.407100E+03 -0.217330E-07 0.100000E-04    0.999693E+00
  21    0.705207E-05    0.397855E+03 -0.177252E-07 0.100000E-04    0.997622E+00
  22    0.335857E-05    0.388806E+03 -0.863817E-08 0.100000E-04    0.986341E+00
  23   -0.775114E-06    0.367337E+03  0.211009E-08 0.100000E-04    0.990835E+00
  24    0.682998E-06    0.362635E+03 -0.188343E-08 0.100000E-04    0.962805E+00
  25   -0.148561E-04    0.351569E+03  0.422567E-07 0.100000E-04    0.996470E+00
  26   -0.246285E-04    0.338685E+03  0.727180E-07 0.100000E-04    0.995553E+00
  27   -0.121811E-04    0.324966E+03  0.374843E-07 0.100000E-04    0.996513E+00
  28    0.320521E-05    0.321612E+03 -0.996608E-08 0.100000E-04    0.966718E+00
  29    0.131711E-05    0.319289E+03 -0.412512E-08 0.100000E-04    0.950033E+00
  30   -0.206863E-04    0.315302E+03  0.656080E-07 0.100000E-04    0.997767E+00
  31   -0.732187E-05    0.304830E+03  0.240195E-07 0.100000E-04    0.994043E+00
  32   -0.320012E-05    0.287858E+03  0.111170E-07 0.100000E-04    0.986741E+00
  33    0.822992E-05    0.279310E+03 -0.294652E-07 0.100000E-04    0.993251E+00
  34    0.520259E-05    0.270829E+03 -0.192099E-07 0.100000E-04    0.990048E+00
  35    0.210404E-04    0.266106E+03 -0.790678E-07 0.100000E-04    0.998326E+00
  36    0.909468E-05    0.263362E+03 -0.345330E-07 0.100000E-04    0.991106E+00
  37   -0.119642E-04    0.258488E+03  0.462854E-07 0.100000E-04    0.994909E+00
  38   -0.356115E-05    0.253684E+03  0.140377E-07 0.100000E-04    0.994830E+00
  39   -0.154938E-04    0.242745E+03  0.638272E-07 0.100000E-04    0.996482E+00
  40    0.906013E-05    0.237872E+03 -0.380882E-07 0.100000E-04    0.989817E+00
  41   -0.215057E-04    0.235627E+03  0.912699E-07 0.100000E-04    0.990025E+00
  42   -0.659290E-05    0.228706E+03  0.288269E-07 0.100000E-04    0.993801E+00
  43    0.694174E-05    0.222159E+03 -0.312468E-07 0.100000E-04    0.993173E+00
  44   -0.131307E-04    0.213037E+03  0.616358E-07 0.100000E-04    0.994443E+00
  45    0.256962E-05    0.211792E+03 -0.121328E-07 0.100000E-04    0.993067E+00
  46    0.142118E-04    0.208237E+03 -0.682482E-07 0.100000E-04    0.995111E+00
  47   -0.250196E-04    0.203305E+03  0.123064E-06 0.100000E-04    0.997668E+00
  48    0.185004E-05    0.198016E+03 -0.934286E-08 0.100000E-04    0.986443E+00
  49   -0.163617E-04    0.195502E+03  0.836910E-07 0.100000E-04    0.996588E+00
  50   -0.855477E-05    0.191601E+03  0.446489E-07 0.100000E-04    0.992045E+00
  51   -0.108248E-04    0.185278E+03  0.584244E-07 0.100000E-04    0.997367E+00
  52   -0.708878E-06    0.176294E+03  0.402100E-08 0.100000E-04    0.992018E+00
  53   -0.919789E-05    0.171257E+03  0.537080E-07 0.100000E-04    0.996893E+00
  54   -0.912900E-05    0.167713E+03  0.544323E-07 0.100000E-04    0.994527E+00
  55    0.173747E-04    0.165520E+03 -0.104970E-06 0.100000E-04    0.997942E+00
  56    0.567086E-05    0.159888E+03 -0.354677E-07 0.100000E-04    0.993863E+00
  57    0.499542E-05    0.153560E+03 -0.325308E-07 0.100000E-04    0.993186E+00
  58   -0.170906E-04    0.150972E+03  0.113204E-06 0.100000E-04    0.994954E+00
  59   -0.505179E-05    0.149134E+03  0.338741E-07 0.100000E-04    0.984576E+00
  60   -0.163229E-04    0.143020E+03  0.114131E-06 0.100000E-04    0.998444E+00
  61   -0.153048E-04    0.136969E+03  0.111739E-06 0.100000E-04    0.991815E+00
  62    0.297587E-04    0.135393E+03 -0.219796E-06 0.100000E-04    0.997465E+00
  63   -0.204693E-04    0.130834E+03  0.156452E-06 0.100000E-04    0.995591E+00
  64    0.119773E-04    0.127716E+03 -0.937807E-07 0.100000E-04    0.991514E+00
  65   -0.755098E-06    0.126057E+03  0.599011E-08 0.100000E-04    0.909549E+00
  66    0.238045E-04    0.125374E+03 -0.189868E-06 0.100000E-04    0.995791E+00
  67   -0.284922E-05    0.119559E+03  0.238310E-07 0.100000E-04    0.999870E+00
  68    0.745905E-05    0.117984E+03 -0.632211E-07 0.100000E-04    0.995104E+00
  69   -0.287889E-05    0.116819E+03  0.246441E-07 0.100000E-04    0.984656E+00
  70   -0.172728E-04    0.111668E+03  0.154680E-06 0.100000E-04    0.996572E+00
  71   -0.291698E-05    0.108860E+03  0.267956E-07 0.100000E-04    0.987470E+00
  72   -0.369309E-04    0.105075E+03  0.351472E-06 0.100000E-04    0.993362E+00
  73    0.185934E-04    0.102967E+03 -0.180576E-06 0.100000E-04    0.994888E+00
  74   -0.292878E-04    0.999878E+02  0.292913E-06 0.100000E-04    0.997439E+00
  75    0.386154E-04    0.966669E+02 -0.399468E-06 0.100000E-04    0.993156E+00
  76   -0.281953E-04    0.951233E+02  0.296408E-06 0.100000E-04    0.999676E+00
  77    0.578479E-04    0.917203E+02 -0.630699E-06 0.100000E-04    0.998250E+00
  78    0.138407E-05    0.905455E+02 -0.152859E-07 0.100000E-04    0.982675E+00
  79   -0.240739E-04    0.895632E+02  0.268792E-06 0.100000E-04    0.995524E+00
  80    0.167701E-04    0.847168E+02 -0.197955E-06 0.100000E-04    0.997445E+00
  81    0.164863E-04    0.809081E+02 -0.203766E-06 0.100000E-04    0.995742E+00
  82    0.104574E-04    0.795467E+02 -0.131463E-06 0.100000E-04    0.994394E+00
  83    0.127701E-04    0.784360E+02 -0.162809E-06 0.100000E-04    0.998988E+00
  84   -0.260077E-04    0.727414E+02  0.357536E-06 0.100000E-04    0.992872E+00
  85   -0.370984E-04    0.717866E+02  0.516787E-06 0.100000E-04    0.995218E+00
  86   -0.247410E-04    0.683442E+02  0.362006E-06 0.100000E-04    0.985769E+00
  87    0.300403E-04    0.676951E+02 -0.443758E-06 0.100000E-04    0.987682E+00
  88    0.329493E-06    0.633767E+02 -0.519897E-08 0.100000E-04    0.952874E+00
  89    0.435225E-04    0.611047E+02 -0.712260E-06 0.100000E-04    0.996159E+00
  90    0.210746E-04    0.596602E+02 -0.353243E-06 0.100000E-04    0.991641E+00
  91    0.726122E-06    0.589353E+02 -0.123207E-07 0.100000E-04    0.998041E+00
  92    0.520911E-04    0.559399E+02 -0.931197E-06 0.100000E-04    0.998093E+00
  93    0.385084E-04    0.531770E+02 -0.724155E-06 0.100000E-04    0.998378E+00
  94   -0.337953E-04    0.522284E+02  0.647067E-06 0.100000E-04    0.993623E+00
  95   -0.327305E-04    0.502118E+02  0.651850E-06 0.100000E-04    0.999344E+00
  96    0.109427E-04    0.478545E+02 -0.228665E-06 0.100000E-04    0.994590E+00
  97    0.335712E-04    0.430960E+02 -0.778986E-06 0.100000E-04    0.994683E+00
  98    0.273241E-04    0.401530E+02 -0.680500E-06 0.100000E-04    0.994397E+00
  99    0.908331E-04    0.370527E+02 -0.245146E-05 0.100000E-04    0.992858E+00
 100   -0.117788E-03    0.357044E+02  0.329899E-05 0.100000E-04    0.994518E+00
 101    0.107875E-05    0.356857E+02 -0.302292E-07 0.118810E-04    0.832848E-01
 102   -0.790312E-04    0.288769E+02  0.273683E-05 0.100000E-04    0.994346E+00
 103    0.259267E-04    0.287400E+02 -0.902114E-06 0.100000E-04    0.991368E+00
 104    0.519170E-04    0.283065E+02 -0.183410E-05 0.100000E-04    0.989087E+00
 105    0.422382E-04    0.229428E+02 -0.184102E-05 0.100000E-04    0.996113E+00
 106    0.371010E-05    0.218570E+02 -0.169745E-06 0.100000E-04    0.825312E+00
 107    0.125586E-03    0.199336E+02 -0.630020E-05 0.100000E-04    0.998825E+00
 108    0.420204E-04    0.168188E+02 -0.249841E-05 0.100000E-04    0.984578E+00
 109    0.773494E-04    0.137706E+02 -0.561701E-05 0.100000E-04    0.998908E+00
 110   -0.106294E-02    0.123113E+02  0.100000E-04 0.100000E-04    0.727330E+00
 111    0.349672E-02    0.100283E+02 -0.100000E-04 0.100000E-04    0.441917E+00
 112   -0.762615E-04    0.959425E+01  0.794867E-05 0.100000E-04    0.954837E+00
 113    0.132774E-01    0.753549E+01 -0.124008E-04 0.124008E-04    0.248600E-01
 114   -0.480771E+00    0.462615E+01 -0.400000E-03 0.400000E-03    0.305776E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1028258555    

 Beginning of optimization cycle  233.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3785235415
 potential> RMS force:                                               0.0452196085   |gradient|=.4828132982    
 Eigenvalues of the Hessian matrix:
   727.48997    672.57258    625.71460    604.50854    589.12350    567.45723 
   565.91371    480.64216    467.27380    462.04192    441.32753    430.44614 
   421.33711    407.10971    397.85134    388.80743    367.34180    362.62593 
   351.56117    338.65322    324.97335    321.60964    319.30270    315.27346 
   304.82359    287.86374    279.30458    270.82601    266.11231    263.37178 
   258.49661    253.68678    242.73926    237.86453    235.63283    228.70617 
   222.13861    213.04394    211.79651    208.22509    203.30852    198.01186 
   195.50076    191.60072    185.26762    176.28040    171.26335    167.70938 
   165.51676    159.88052    153.56253    150.97301    149.13381    143.02257 
   136.96941    135.39784    130.83261    127.71762    126.05797    125.37890 
   119.56117    117.98418    116.82114    111.66059    108.84936    105.07159 
   102.96840     99.98475     96.65930     95.12307     91.73143     90.54066 
    89.57086     84.71935     80.90829     79.54975     78.43418     72.74055 
    71.79049     68.34160     67.68734     63.37599     61.09465     59.66053 
    58.93742     55.94120     53.17256     52.22853     50.21037     47.85247 
    43.09268     40.15518     37.05498     35.71062     35.67661     28.87597 
    28.73951     28.29824     22.94131     21.85424     19.93809     16.81912 
    13.77047     12.31022     10.01918      9.59310      7.53349      4.62305 
overlap for current and previous eigenvector    109 is         0.9999992485
overlap for current and previous eigenvector    110 is         0.9999991535
overlap for current and previous eigenvector    111 is         0.9999094274
overlap for current and previous eigenvector    112 is         0.9999100366
overlap for current and previous eigenvector    113 is         0.9999972246
overlap for current and previous eigenvector    114 is         0.9999996367
J1,K1,R1,R2,RAT=   7   7   -0.1106012763E-01     2.010893578        0.9889398724    
FOB,PFOB,DIAG,PSTEP=   -0.1740037464E-05   -0.1721001384E-05     727.4899748        0.2365867258E-08
J1,K1,R1,R2,RAT=   8   8   -0.1045817967E-01     2.010420341        0.9895418203    
FOB,PFOB,DIAG,PSTEP=   -0.2866504421E-05   -0.2836835722E-05     672.5725780        0.4217967676E-08
J1,K1,R1,R2,RAT=   9   9    0.9698708892E-02     1.990255806        0.9902558056    
FOB,PFOB,DIAG,PSTEP=    0.5927896773E-06    0.5985954120E-06     625.7146003       -0.9566806109E-09
J1,K1,R1,R2,RAT=  10  10    0.4958891599E-02     1.995038078        0.9950380780    
FOB,PFOB,DIAG,PSTEP=    0.1668652064E-05    0.1676967979E-05     604.5085435       -0.2774105574E-08
J1,K1,R1,R2,RAT=  11  11    0.3954142532E-02     1.996070677        0.9960458575    
FOB,PFOB,DIAG,PSTEP=   -0.1108269476E-05   -0.1112669073E-05     589.1235035        0.1888662155E-08
J1,K1,R1,R2,RAT= 109 109   -0.2237988062E-02     2.002249733        0.9977620119    
FOB,PFOB,DIAG,PSTEP=    0.7752246947E-04    0.7734936354E-04     13.77047106       -0.5617012588E-05
J1,K1,R1,R2,RAT= 110 110   -0.2720864630         17.54134014        0.7279135370    
FOB,PFOB,DIAG,PSTEP=   -0.1096435736E-02   -0.1062941302E-02     12.31021701        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5720810551         70.37251848        0.4279189449    
FOB,PFOB,DIAG,PSTEP=    0.3554035249E-02    0.3496717392E-02     10.01918475       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6658580991E-01     2.066826411        0.9334141901    
FOB,PFOB,DIAG,PSTEP=   -0.8133881883E-04   -0.7626149615E-04     9.593096631        0.7948666202E-05
J1,K1,R1,R2,RAT= 113 113   -0.8227497914         285.0715516        0.1772502086    
FOB,PFOB,DIAG,PSTEP=    0.1335428702E-01    0.1327742479E-01     7.533486423       -0.1240078543E-04
J1,K1,R1,R2,RAT= 114 114    0.9969054817        -520.9687050        0.3094518335E-02
FOB,PFOB,DIAG,PSTEP=   -0.4826141462       -0.4807706505         4.623045431       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00001      0.00002      0.00001      0.00002 
     0.00002      0.00003      0.00002     -0.00001     -0.00000     -0.00002 
     0.00000      0.00001      0.00000      0.00002      0.00000      0.00004 
    -0.00002      0.00003      0.00004      0.00003      0.00006     -0.00000 
    -0.00002     -0.00002     -0.00002     -0.00001     -0.00001      0.00003 
     0.00004     -0.00002      0.00003      0.00000      0.00004      0.00002 
     0.00000     -0.00005     -0.00004      0.00003      0.00003     -0.00001 
    -0.00003     -0.00003      0.00009     -0.00012      0.00000      0.00008 
    -0.00003      0.00005     -0.00004      0.00000     -0.00013     -0.00004 
     0.00008     -0.00110      0.00355     -0.00008      0.01335     -0.48261 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4366191856
 Log product of positive Hessian eigenvalues =          520.1379059870
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6230454312
 Unscaled step for mode    7=        0.0000000024
 Unscaled step for mode    8=        0.0000000043
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000030
 Unscaled step for mode   13=        0.0000000044
 Unscaled step for mode   14=        0.0000000099
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000081
 Unscaled step for mode   17=       -0.0000000070
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000288
 Unscaled step for mode   20=       -0.0000000217
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=       -0.0000000087
 Unscaled step for mode   23=        0.0000000020
 Unscaled step for mode   24=       -0.0000000018
 Unscaled step for mode   25=        0.0000000424
 Unscaled step for mode   26=        0.0000000730
 Unscaled step for mode   27=        0.0000000376
 Unscaled step for mode   28=       -0.0000000103
 Unscaled step for mode   29=       -0.0000000042
 Unscaled step for mode   30=        0.0000000659
 Unscaled step for mode   31=        0.0000000243
 Unscaled step for mode   32=        0.0000000112
 Unscaled step for mode   33=       -0.0000000296
 Unscaled step for mode   34=       -0.0000000193
 Unscaled step for mode   35=       -0.0000000793
 Unscaled step for mode   36=       -0.0000000349
 Unscaled step for mode   37=        0.0000000465
 Unscaled step for mode   38=        0.0000000140
 Unscaled step for mode   39=        0.0000000640
 Unscaled step for mode   40=       -0.0000000378
 Unscaled step for mode   41=        0.0000000922
 Unscaled step for mode   42=        0.0000000291
 Unscaled step for mode   43=       -0.0000000316
 Unscaled step for mode   44=        0.0000000623
 Unscaled step for mode   45=       -0.0000000119
 Unscaled step for mode   46=       -0.0000000687
 Unscaled step for mode   47=        0.0000001236
 Unscaled step for mode   48=       -0.0000000095
 Unscaled step for mode   49=        0.0000000842
 Unscaled step for mode   50=        0.0000000445
 Unscaled step for mode   51=        0.0000000588
 Unscaled step for mode   52=        0.0000000041
 Unscaled step for mode   53=        0.0000000539
 Unscaled step for mode   54=        0.0000000549
 Unscaled step for mode   55=       -0.0000001053
 Unscaled step for mode   56=       -0.0000000355
 Unscaled step for mode   57=       -0.0000000327
 Unscaled step for mode   58=       -0.0000001137
 Unscaled step for mode   59=       -0.0000000336
 Unscaled step for mode   60=       -0.0000001146
 Unscaled step for mode   61=       -0.0000001122
 Unscaled step for mode   62=       -0.0000002200
 Unscaled step for mode   63=       -0.0000001565
 Unscaled step for mode   64=        0.0000000947
 Unscaled step for mode   65=        0.0000000062
 Unscaled step for mode   66=        0.0000001902
 Unscaled step for mode   67=       -0.0000000243
 Unscaled step for mode   68=       -0.0000000634
 Unscaled step for mode   69=       -0.0000000248
 Unscaled step for mode   70=       -0.0000001559
 Unscaled step for mode   71=       -0.0000000271
 Unscaled step for mode   72=       -0.0000003530
 Unscaled step for mode   73=        0.0000001816
 Unscaled step for mode   74=       -0.0000002929
 Unscaled step for mode   75=       -0.0000004025
 Unscaled step for mode   76=       -0.0000002967
 Unscaled step for mode   77=       -0.0000006321
 Unscaled step for mode   78=        0.0000000148
 Unscaled step for mode   79=        0.0000002665
 Unscaled step for mode   80=        0.0000001987
 Unscaled step for mode   81=        0.0000002045
 Unscaled step for mode   82=        0.0000001298
 Unscaled step for mode   83=        0.0000001636
 Unscaled step for mode   84=       -0.0000003588
 Unscaled step for mode   85=       -0.0000005172
 Unscaled step for mode   86=        0.0000003562
 Unscaled step for mode   87=       -0.0000004490
 Unscaled step for mode   88=       -0.0000000040
 Unscaled step for mode   89=       -0.0000007141
 Unscaled step for mode   90=       -0.0000003534
 Unscaled step for mode   91=       -0.0000000122
 Unscaled step for mode   92=        0.0000009340
 Unscaled step for mode   93=        0.0000007228
 Unscaled step for mode   94=       -0.0000006491
 Unscaled step for mode   95=       -0.0000006499
 Unscaled step for mode   96=        0.0000002293
 Unscaled step for mode   97=        0.0000007787
 Unscaled step for mode   98=        0.0000006833
 Unscaled step for mode   99=       -0.0000024587
 Unscaled step for mode  100=        0.0000032935
 Unscaled step for mode  101=       -0.0000000620
 Unscaled step for mode  102=       -0.0000027445
 Unscaled step for mode  103=        0.0000008889
 Unscaled step for mode  104=       -0.0000018425
 Unscaled step for mode  105=        0.0000018459
 Unscaled step for mode  106=       -0.0000001600
 Unscaled step for mode  107=        0.0000062872
 Unscaled step for mode  108=        0.0000024849
 Unscaled step for mode  109=       -0.0000056296
 Unscaled step for mode  110=        0.0000890671
 Unscaled step for mode  111=       -0.0003547230
 Unscaled step for mode  112=        0.0000084789
 Unscaled step for mode  113=       -0.0017726514
 Unscaled step for mode  114=       -0.1032795946
 Largest modulus ratio of non-zero e/values=           157.3616322    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.658761E-15    0.101890E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.491794E-15    0.100736E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.648950E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.406034E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.889479E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.649871E-15    0.973735E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174004E-05    0.727490E+03  0.239184E-08 0.100000E-04    0.988940E+00
   8   -0.286650E-05    0.672573E+03  0.426200E-08 0.100000E-04    0.989542E+00
   9    0.592790E-06    0.625715E+03 -0.947380E-09 0.100000E-04    0.990256E+00
  10    0.166865E-05    0.604509E+03 -0.276034E-08 0.100000E-04    0.995038E+00
  11   -0.110827E-05    0.589124E+03  0.188122E-08 0.100000E-04    0.996046E+00
  12    0.170061E-05    0.567457E+03 -0.299690E-08 0.100000E-04    0.969672E+00
  13   -0.249844E-05    0.565914E+03  0.441488E-08 0.100000E-04    0.986210E+00
  14   -0.474874E-05    0.480642E+03  0.987999E-08 0.100000E-04    0.993915E+00
  15    0.182250E-05    0.467274E+03 -0.390029E-08 0.100000E-04    0.997560E+00
  16    0.375261E-05    0.462042E+03 -0.812181E-08 0.100000E-04    0.995521E+00
  17    0.307938E-05    0.441328E+03 -0.697753E-08 0.100000E-04    0.999975E+00
  18    0.453210E-05    0.430446E+03 -0.105288E-07 0.100000E-04    0.999971E+00
  19   -0.121239E-04    0.421337E+03  0.287747E-07 0.100000E-04    0.997018E+00
  20    0.882554E-05    0.407110E+03 -0.216785E-07 0.100000E-04    0.997470E+00
  21    0.705310E-05    0.397851E+03 -0.177280E-07 0.100000E-04    0.999854E+00
  22    0.339871E-05    0.388807E+03 -0.874138E-08 0.100000E-04    0.988048E+00
  23   -0.748043E-06    0.367342E+03  0.203637E-08 0.100000E-04    0.965051E+00
  24    0.656595E-06    0.362626E+03 -0.181067E-08 0.100000E-04    0.961341E+00
  25   -0.149070E-04    0.351561E+03  0.424024E-07 0.100000E-04    0.996575E+00
  26   -0.247240E-04    0.338653E+03  0.730069E-07 0.100000E-04    0.996120E+00
  27   -0.122330E-04    0.324973E+03  0.376430E-07 0.100000E-04    0.995741E+00
  28    0.330110E-05    0.321610E+03 -0.102643E-07 0.100000E-04    0.970083E+00
  29    0.135688E-05    0.319303E+03 -0.424952E-08 0.100000E-04    0.969801E+00
  30   -0.207695E-04    0.315273E+03  0.658776E-07 0.100000E-04    0.995981E+00
  31   -0.739514E-05    0.304824E+03  0.242604E-07 0.100000E-04    0.989992E+00
  32   -0.323481E-05    0.287864E+03  0.112373E-07 0.100000E-04    0.989161E+00
  33    0.825773E-05    0.279305E+03 -0.295653E-07 0.100000E-04    0.996622E+00
  34    0.523258E-05    0.270826E+03 -0.193208E-07 0.100000E-04    0.994237E+00
  35    0.211110E-04    0.266112E+03 -0.793312E-07 0.100000E-04    0.996645E+00
  36    0.918226E-05    0.263372E+03 -0.348642E-07 0.100000E-04    0.990370E+00
  37   -0.120229E-04    0.258497E+03  0.465108E-07 0.100000E-04    0.995096E+00
  38   -0.355326E-05    0.253687E+03  0.140065E-07 0.100000E-04    0.997763E+00
  39   -0.155316E-04    0.242739E+03  0.639847E-07 0.100000E-04    0.997558E+00
  40    0.897969E-05    0.237865E+03 -0.377513E-07 0.100000E-04    0.991121E+00
  41   -0.217354E-04    0.235633E+03  0.922427E-07 0.100000E-04    0.989319E+00
  42   -0.665285E-05    0.228706E+03  0.290891E-07 0.100000E-04    0.990907E+00
  43    0.701691E-05    0.222139E+03 -0.315880E-07 0.100000E-04    0.989170E+00
  44   -0.132707E-04    0.213044E+03  0.622908E-07 0.100000E-04    0.989343E+00
  45    0.252656E-05    0.211797E+03 -0.119292E-07 0.100000E-04    0.983201E+00
  46    0.143085E-04    0.208225E+03 -0.687164E-07 0.100000E-04    0.993196E+00
  47   -0.251208E-04    0.203309E+03  0.123560E-06 0.100000E-04    0.995956E+00
  48    0.187596E-05    0.198012E+03 -0.947398E-08 0.100000E-04    0.985986E+00
  49   -0.164633E-04    0.195501E+03  0.842111E-07 0.100000E-04    0.993790E+00
  50   -0.852826E-05    0.191601E+03  0.445106E-07 0.100000E-04    0.996901E+00
  51   -0.108895E-04    0.185268E+03  0.587773E-07 0.100000E-04    0.994015E+00
  52   -0.731064E-06    0.176280E+03  0.414717E-08 0.100000E-04    0.968700E+00
  53   -0.922469E-05    0.171263E+03  0.538626E-07 0.100000E-04    0.997087E+00
  54   -0.920943E-05    0.167709E+03  0.549130E-07 0.100000E-04    0.991190E+00
  55    0.174228E-04    0.165517E+03 -0.105263E-06 0.100000E-04    0.997227E+00
  56    0.568262E-05    0.159881E+03 -0.355429E-07 0.100000E-04    0.997926E+00
  57    0.502383E-05    0.153563E+03 -0.327152E-07 0.100000E-04    0.994312E+00
  58    0.171687E-04    0.150973E+03 -0.113720E-06 0.100000E-04    0.995436E+00
  59    0.500737E-05    0.149134E+03 -0.335764E-07 0.100000E-04    0.991207E+00
  60    0.163872E-04    0.143023E+03 -0.114578E-06 0.100000E-04    0.996064E+00
  61    0.153703E-04    0.136969E+03 -0.112217E-06 0.100000E-04    0.995718E+00
  62    0.297904E-04    0.135398E+03 -0.220021E-06 0.100000E-04    0.998936E+00
  63    0.204787E-04    0.130833E+03 -0.156526E-06 0.100000E-04    0.999538E+00
  64   -0.120915E-04    0.127718E+03  0.946734E-07 0.100000E-04    0.990465E+00
  65   -0.786346E-06    0.126058E+03  0.623797E-08 0.100000E-04    0.958618E+00
  66   -0.238469E-04    0.125379E+03  0.190199E-06 0.100000E-04    0.998218E+00
  67    0.290278E-05    0.119561E+03 -0.242786E-07 0.100000E-04    0.981202E+00
  68    0.747861E-05    0.117984E+03 -0.633865E-07 0.100000E-04    0.997378E+00
  69    0.289169E-05    0.116821E+03 -0.247531E-07 0.100000E-04    0.995554E+00
  70    0.174044E-04    0.111661E+03 -0.155869E-06 0.100000E-04    0.992379E+00
  71    0.295514E-05    0.108849E+03 -0.271489E-07 0.100000E-04    0.986917E+00
  72    0.370917E-04    0.105072E+03 -0.353014E-06 0.100000E-04    0.995646E+00
  73   -0.186942E-04    0.102968E+03  0.181553E-06 0.100000E-04    0.994576E+00
  74    0.292852E-04    0.999847E+02 -0.292897E-06 0.100000E-04    0.999913E+00
  75    0.389025E-04    0.966593E+02 -0.402470E-06 0.100000E-04    0.992564E+00
  76    0.282237E-04    0.951231E+02 -0.296708E-06 0.100000E-04    0.998991E+00
  77    0.579817E-04    0.917314E+02 -0.632081E-06 0.100000E-04    0.997687E+00
  78   -0.134316E-05    0.905407E+02  0.148349E-07 0.100000E-04    0.970440E+00
  79   -0.238733E-04    0.895709E+02  0.266529E-06 0.100000E-04    0.991497E+00
  80   -0.168342E-04    0.847193E+02  0.198705E-06 0.100000E-04    0.996180E+00
  81   -0.165434E-04    0.809083E+02  0.204471E-06 0.100000E-04    0.996539E+00
  82   -0.103278E-04    0.795497E+02  0.129829E-06 0.100000E-04    0.987532E+00
  83   -0.128342E-04    0.784342E+02  0.163630E-06 0.100000E-04    0.994980E+00
  84    0.260969E-04    0.727406E+02 -0.358767E-06 0.100000E-04    0.996569E+00
  85    0.371311E-04    0.717905E+02 -0.517214E-06 0.100000E-04    0.999120E+00
  86   -0.243415E-04    0.683416E+02  0.356174E-06 0.100000E-04    0.983852E+00
  87    0.303924E-04    0.676873E+02 -0.449011E-06 0.100000E-04    0.988277E+00
  88    0.253260E-06    0.633760E+02 -0.399615E-08 0.100000E-04    0.768632E+00
  89    0.436281E-04    0.610946E+02 -0.714107E-06 0.100000E-04    0.997572E+00
  90    0.210816E-04    0.596605E+02 -0.353359E-06 0.100000E-04    0.999668E+00
  91    0.718282E-06    0.589374E+02 -0.121872E-07 0.100000E-04    0.989132E+00
  92   -0.522491E-04    0.559412E+02  0.934000E-06 0.100000E-04    0.996966E+00
  93   -0.384334E-04    0.531726E+02  0.722805E-06 0.100000E-04    0.998052E+00
  94    0.339038E-04    0.522285E+02 -0.649144E-06 0.100000E-04    0.996788E+00
  95    0.326331E-04    0.502104E+02 -0.649927E-06 0.100000E-04    0.997023E+00
  96   -0.109736E-04    0.478525E+02  0.229322E-06 0.100000E-04    0.997171E+00
  97   -0.335557E-04    0.430927E+02  0.778687E-06 0.100000E-04    0.999538E+00
  98   -0.274368E-04    0.401552E+02  0.683270E-06 0.100000E-04    0.995876E+00
  99    0.911068E-04    0.370550E+02 -0.245869E-05 0.100000E-04    0.996987E+00
 100   -0.117613E-03    0.357106E+02  0.329350E-05 0.100000E-04    0.998163E+00
 101    0.221274E-05    0.356766E+02 -0.620222E-07 0.129503E-04    0.514792E-01
 102    0.792494E-04    0.288760E+02 -0.274448E-05 0.100000E-04    0.997238E+00
 103   -0.255452E-04    0.287395E+02  0.888853E-06 0.100000E-04    0.985284E+00
 104    0.521388E-04    0.282982E+02 -0.184247E-05 0.100000E-04    0.995726E+00
 105   -0.423485E-04    0.229413E+02  0.184595E-05 0.100000E-04    0.997387E+00
 106    0.349590E-05    0.218542E+02 -0.159964E-06 0.100000E-04    0.942258E+00
 107   -0.125355E-03    0.199381E+02  0.628720E-05 0.100000E-04    0.997715E+00
 108   -0.417944E-04    0.168191E+02  0.248494E-05 0.100000E-04    0.994588E+00
 109    0.775225E-04    0.137705E+02 -0.562962E-05 0.100000E-04    0.997762E+00
 110   -0.109644E-02    0.123102E+02  0.100000E-04 0.100000E-04    0.727914E+00
 111    0.355404E-02    0.100192E+02 -0.100000E-04 0.100000E-04    0.427919E+00
 112   -0.813388E-04    0.959310E+01  0.847889E-05 0.100000E-04    0.933414E+00
 113    0.133543E-01    0.753349E+01 -0.135169E-04 0.135169E-04    0.177250E+00
 114   -0.482614E+00    0.462305E+01 -0.400000E-03 0.400000E-03    0.309452E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1032795946    

 Beginning of optimization cycle  234.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3783303530
 potential> RMS force:                                               0.0453923014   |gradient|=.4846571546    
 Eigenvalues of the Hessian matrix:
   727.55054    672.58522    625.72881    604.50941    589.11610    567.49554 
   565.93084    480.66424    467.25083    462.03327    441.32774    430.43777 
   421.34318    407.11966    397.84722    388.80901    367.34633    362.61641 
   351.55355    338.62162    324.98112    321.60759    319.31609    315.24524 
   304.81717    287.86964    279.29896    270.82270    266.11857    263.38181 
   258.50546    253.68956    242.73318    237.85694    235.63800    228.70591 
   222.11861    213.05046    211.80115    208.21329    203.31165    198.00772 
   195.49972    191.60040    185.25743    176.26684    171.26935    167.70589 
   165.51369    159.87291    153.56520    150.97419    149.13311    143.02539 
   136.97010    135.40310    130.83090    127.71955    126.05839    125.38347 
   119.56286    117.98481    116.82368    111.65341    108.83837    105.06806 
   102.97002     99.98167     96.65161     95.12282     91.74263     90.53588 
    89.57846     84.72196     80.90852     79.55278     78.43240     72.73972 
    71.79432     68.33910     67.67936     63.37531     61.08451     59.66086 
    58.93949     55.94249     53.16813     52.22864     50.20898     47.85036 
    43.08938     40.15734     37.05734     35.71681     35.66740     28.87505 
    28.73902     28.28994     22.93988     21.85147     19.94253     16.81941 
    13.77040     12.30909     10.01029      9.59180      7.53144      4.61992 
overlap for current and previous eigenvector    109 is         0.9999992567
overlap for current and previous eigenvector    110 is         0.9999991618
overlap for current and previous eigenvector    111 is         0.9999035871
overlap for current and previous eigenvector    112 is         0.9999041122
overlap for current and previous eigenvector    113 is         0.9999971841
overlap for current and previous eigenvector    114 is         0.9999996361
J1,K1,R1,R2,RAT=   7   7   -0.1079545271E-01     2.010628959        0.9892045473    
FOB,PFOB,DIAG,PSTEP=   -0.1758823520E-05   -0.1740037464E-05     727.5505411        0.2391837034E-08
J1,K1,R1,R2,RAT=   8   8   -0.1059492170E-01     2.010557325        0.9894050783    
FOB,PFOB,DIAG,PSTEP=   -0.2896875381E-05   -0.2866504421E-05     672.5852214        0.4262000139E-08
J1,K1,R1,R2,RAT=   9   9    0.1215807726E-01     1.987796497        0.9877964969    
FOB,PFOB,DIAG,PSTEP=    0.5855823309E-06    0.5927896773E-06     625.7288124       -0.9473802866E-09
J1,K1,R1,R2,RAT=  10  10    0.5064473234E-02     1.994932664        0.9949326641    
FOB,PFOB,DIAG,PSTEP=    0.1660201208E-05    0.1668652064E-05     604.5094088       -0.2760344882E-08
J1,K1,R1,R2,RAT=  11  11    0.5923230661E-02     1.994101889        0.9940767693    
FOB,PFOB,DIAG,PSTEP=   -0.1101705023E-05   -0.1108269476E-05     589.1161043        0.1881217553E-08
J1,K1,R1,R2,RAT= 109 109   -0.3061397029E-02     2.003072282        0.9969386030    
FOB,PFOB,DIAG,PSTEP=    0.7775979524E-04    0.7752246947E-04     13.77039612       -0.5629616382E-05
J1,K1,R1,R2,RAT= 110 110   -0.2703394233         18.08539126        0.7296605767    
FOB,PFOB,DIAG,PSTEP=   -0.1129712070E-02   -0.1096435736E-02     12.30909397        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5896783818         71.59731053        0.4103216182    
FOB,PFOB,DIAG,PSTEP=    0.3613063771E-02    0.3554035249E-02     10.01029084       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6662632535E-01     2.066896042        0.9333736747    
FOB,PFOB,DIAG,PSTEP=   -0.8675739470E-04   -0.8133881883E-04     9.591803095        0.8478890806E-05
J1,K1,R1,R2,RAT= 113 113   -0.6873935971         263.0470248        0.3126064029    
FOB,PFOB,DIAG,PSTEP=    0.1342426464E-01    0.1335428702E-01     7.531439627       -0.1351685612E-04
J1,K1,R1,R2,RAT= 114 114    0.9968603413        -523.3155434        0.3139658686E-02
FOB,PFOB,DIAG,PSTEP=   -0.4844563124       -0.4826141462         4.619920385       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00001      0.00002      0.00000      0.00002 
     0.00002      0.00003     -0.00002      0.00001      0.00000     -0.00002 
     0.00000      0.00001      0.00000      0.00002     -0.00000      0.00004 
     0.00002     -0.00003      0.00004      0.00003      0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001     -0.00001     -0.00003 
    -0.00004     -0.00002      0.00003      0.00000      0.00004     -0.00002 
    -0.00000      0.00005      0.00004     -0.00003      0.00003      0.00001 
    -0.00003      0.00003      0.00009     -0.00012      0.00000     -0.00008 
     0.00003      0.00005     -0.00004      0.00000     -0.00013     -0.00004 
     0.00008     -0.00113      0.00361     -0.00009      0.01342     -0.48446 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4365506471
 Log product of positive Hessian eigenvalues =          520.1349900870
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6199203846
 Unscaled step for mode    7=        0.0000000024
 Unscaled step for mode    8=        0.0000000043
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000027
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000029
 Unscaled step for mode   13=        0.0000000045
 Unscaled step for mode   14=        0.0000000098
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000082
 Unscaled step for mode   17=       -0.0000000070
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000289
 Unscaled step for mode   20=       -0.0000000216
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=       -0.0000000089
 Unscaled step for mode   23=        0.0000000020
 Unscaled step for mode   24=       -0.0000000017
 Unscaled step for mode   25=        0.0000000425
 Unscaled step for mode   26=        0.0000000733
 Unscaled step for mode   27=        0.0000000378
 Unscaled step for mode   28=       -0.0000000106
 Unscaled step for mode   29=       -0.0000000044
 Unscaled step for mode   30=        0.0000000662
 Unscaled step for mode   31=        0.0000000245
 Unscaled step for mode   32=        0.0000000114
 Unscaled step for mode   33=       -0.0000000297
 Unscaled step for mode   34=       -0.0000000194
 Unscaled step for mode   35=       -0.0000000796
 Unscaled step for mode   36=       -0.0000000352
 Unscaled step for mode   37=        0.0000000467
 Unscaled step for mode   38=        0.0000000140
 Unscaled step for mode   39=        0.0000000641
 Unscaled step for mode   40=       -0.0000000374
 Unscaled step for mode   41=        0.0000000932
 Unscaled step for mode   42=        0.0000000294
 Unscaled step for mode   43=       -0.0000000319
 Unscaled step for mode   44=        0.0000000630
 Unscaled step for mode   45=       -0.0000000117
 Unscaled step for mode   46=       -0.0000000692
 Unscaled step for mode   47=        0.0000001241
 Unscaled step for mode   48=       -0.0000000096
 Unscaled step for mode   49=        0.0000000847
 Unscaled step for mode   50=        0.0000000443
 Unscaled step for mode   51=        0.0000000591
 Unscaled step for mode   52=        0.0000000043
 Unscaled step for mode   53=        0.0000000540
 Unscaled step for mode   54=        0.0000000554
 Unscaled step for mode   55=       -0.0000001056
 Unscaled step for mode   56=       -0.0000000357
 Unscaled step for mode   57=       -0.0000000329
 Unscaled step for mode   58=       -0.0000001142
 Unscaled step for mode   59=       -0.0000000333
 Unscaled step for mode   60=       -0.0000001150
 Unscaled step for mode   61=       -0.0000001127
 Unscaled step for mode   62=       -0.0000002203
 Unscaled step for mode   63=        0.0000001566
 Unscaled step for mode   64=       -0.0000000955
 Unscaled step for mode   65=       -0.0000000065
 Unscaled step for mode   66=        0.0000001905
 Unscaled step for mode   67=       -0.0000000248
 Unscaled step for mode   68=       -0.0000000636
 Unscaled step for mode   69=       -0.0000000249
 Unscaled step for mode   70=       -0.0000001571
 Unscaled step for mode   71=        0.0000000275
 Unscaled step for mode   72=       -0.0000003545
 Unscaled step for mode   73=       -0.0000001825
 Unscaled step for mode   74=        0.0000002929
 Unscaled step for mode   75=       -0.0000004055
 Unscaled step for mode   76=       -0.0000002970
 Unscaled step for mode   77=       -0.0000006333
 Unscaled step for mode   78=       -0.0000000144
 Unscaled step for mode   79=       -0.0000002643
 Unscaled step for mode   80=        0.0000001994
 Unscaled step for mode   81=        0.0000002052
 Unscaled step for mode   82=       -0.0000001282
 Unscaled step for mode   83=        0.0000001644
 Unscaled step for mode   84=        0.0000003600
 Unscaled step for mode   85=        0.0000005175
 Unscaled step for mode   86=        0.0000003503
 Unscaled step for mode   87=       -0.0000004540
 Unscaled step for mode   88=       -0.0000000026
 Unscaled step for mode   89=       -0.0000007156
 Unscaled step for mode   90=        0.0000003534
 Unscaled step for mode   91=        0.0000000121
 Unscaled step for mode   92=       -0.0000009367
 Unscaled step for mode   93=       -0.0000007215
 Unscaled step for mode   94=        0.0000006514
 Unscaled step for mode   95=       -0.0000006481
 Unscaled step for mode   96=       -0.0000002301
 Unscaled step for mode   97=        0.0000007778
 Unscaled step for mode   98=       -0.0000006861
 Unscaled step for mode   99=       -0.0000024652
 Unscaled step for mode  100=        0.0000032875
 Unscaled step for mode  101=       -0.0000000698
 Unscaled step for mode  102=        0.0000027519
 Unscaled step for mode  103=       -0.0000008755
 Unscaled step for mode  104=       -0.0000018515
 Unscaled step for mode  105=        0.0000018486
 Unscaled step for mode  106=       -0.0000001487
 Unscaled step for mode  107=        0.0000062702
 Unscaled step for mode  108=        0.0000024749
 Unscaled step for mode  109=       -0.0000056469
 Unscaled step for mode  110=        0.0000917787
 Unscaled step for mode  111=       -0.0003609349
 Unscaled step for mode  112=        0.0000090450
 Unscaled step for mode  113=       -0.0017824244
 Unscaled step for mode  114=       -0.1037340808
 Largest modulus ratio of non-zero e/values=           157.4811859    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.113191E-15    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.389445E-15    0.100736E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.213371E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.522585E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.241154E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.213778E-15    0.973737E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175882E-05    0.727551E+03  0.241746E-08 0.100000E-04    0.989205E+00
   8   -0.289688E-05    0.672585E+03  0.430708E-08 0.100000E-04    0.989405E+00
   9    0.585582E-06    0.625729E+03 -0.935840E-09 0.100000E-04    0.987796E+00
  10    0.166020E-05    0.604509E+03 -0.274636E-08 0.100000E-04    0.994933E+00
  11   -0.110171E-05    0.589116E+03  0.187010E-08 0.100000E-04    0.994077E+00
  12    0.164565E-05    0.567496E+03 -0.289985E-08 0.100000E-04    0.967547E+00
  13   -0.253039E-05    0.565931E+03  0.447119E-08 0.100000E-04    0.987215E+00
  14   -0.471964E-05    0.480664E+03  0.981900E-08 0.100000E-04    0.993781E+00
  15    0.182663E-05    0.467251E+03 -0.390931E-08 0.100000E-04    0.997735E+00
  16    0.376894E-05    0.462033E+03 -0.815728E-08 0.100000E-04    0.995651E+00
  17    0.307661E-05    0.441328E+03 -0.697126E-08 0.100000E-04    0.999101E+00
  18    0.452804E-05    0.430438E+03 -0.105196E-07 0.100000E-04    0.999105E+00
  19   -0.121593E-04    0.421343E+03  0.288584E-07 0.100000E-04    0.997079E+00
  20    0.879900E-05    0.407120E+03 -0.216128E-07 0.100000E-04    0.996944E+00
  21    0.705219E-05    0.397847E+03 -0.177259E-07 0.100000E-04    0.999870E+00
  22    0.344137E-05    0.388809E+03 -0.885106E-08 0.100000E-04    0.987449E+00
  23   -0.718159E-06    0.367346E+03  0.195499E-08 0.100000E-04    0.960027E+00
  24    0.625969E-06    0.362616E+03 -0.172626E-08 0.100000E-04    0.953355E+00
  25   -0.149580E-04    0.351554E+03  0.425482E-07 0.100000E-04    0.996582E+00
  26   -0.248189E-04    0.338622E+03  0.732939E-07 0.100000E-04    0.996162E+00
  27   -0.122820E-04    0.324981E+03  0.377931E-07 0.100000E-04    0.995990E+00
  28    0.339379E-05    0.321608E+03 -0.105526E-07 0.100000E-04    0.971920E+00
  29    0.139658E-05    0.319316E+03 -0.437366E-08 0.100000E-04    0.970745E+00
  30   -0.208563E-04    0.315245E+03  0.661588E-07 0.100000E-04    0.995821E+00
  31   -0.746904E-05    0.304817E+03  0.245033E-07 0.100000E-04    0.990008E+00
  32   -0.327438E-05    0.287870E+03  0.113745E-07 0.100000E-04    0.987767E+00
  33    0.828663E-05    0.279299E+03 -0.296694E-07 0.100000E-04    0.996499E+00
  34    0.526061E-05    0.270823E+03 -0.194245E-07 0.100000E-04    0.994643E+00
  35    0.211865E-04    0.266119E+03 -0.796131E-07 0.100000E-04    0.996423E+00
  36    0.927358E-05    0.263382E+03 -0.352096E-07 0.100000E-04    0.990055E+00
  37   -0.120815E-04    0.258505E+03  0.467360E-07 0.100000E-04    0.995124E+00
  38   -0.354506E-05    0.253690E+03  0.139740E-07 0.100000E-04    0.997672E+00
  39   -0.155690E-04    0.242733E+03  0.641403E-07 0.100000E-04    0.997594E+00
  40    0.889501E-05    0.237857E+03 -0.373965E-07 0.100000E-04    0.990570E+00
  41   -0.219722E-04    0.235638E+03  0.932455E-07 0.100000E-04    0.989106E+00
  42   -0.672082E-05    0.228706E+03  0.293863E-07 0.100000E-04    0.989783E+00
  43    0.709529E-05    0.222119E+03 -0.319437E-07 0.100000E-04    0.988829E+00
  44   -0.134167E-04    0.213050E+03  0.629742E-07 0.100000E-04    0.988999E+00
  45    0.248398E-05    0.211801E+03 -0.117279E-07 0.100000E-04    0.983103E+00
  46    0.144062E-04    0.208213E+03 -0.691898E-07 0.100000E-04    0.993167E+00
  47   -0.252246E-04    0.203312E+03  0.124069E-06 0.100000E-04    0.995869E+00
  48    0.190222E-05    0.198008E+03 -0.960679E-08 0.100000E-04    0.986003E+00
  49   -0.165657E-04    0.195500E+03  0.847353E-07 0.100000E-04    0.993782E+00
  50   -0.849432E-05    0.191600E+03  0.443335E-07 0.100000E-04    0.996021E+00
  51   -0.109531E-04    0.185257E+03  0.591237E-07 0.100000E-04    0.994162E+00
  52   -0.752983E-06    0.176267E+03  0.427184E-08 0.100000E-04    0.970015E+00
  53   -0.924862E-05    0.171269E+03  0.540004E-07 0.100000E-04    0.997406E+00
  54   -0.928790E-05    0.167706E+03  0.553821E-07 0.100000E-04    0.991479E+00
  55    0.174754E-04    0.165514E+03 -0.105583E-06 0.100000E-04    0.996981E+00
  56    0.569963E-05    0.159873E+03 -0.356510E-07 0.100000E-04    0.997006E+00
  57    0.504734E-05    0.153565E+03 -0.328677E-07 0.100000E-04    0.995321E+00
  58    0.172466E-04    0.150974E+03 -0.114235E-06 0.100000E-04    0.995460E+00
  59    0.496069E-05    0.149133E+03 -0.332635E-07 0.100000E-04    0.990677E+00
  60    0.164472E-04    0.143025E+03 -0.114995E-06 0.100000E-04    0.996340E+00
  61    0.154317E-04    0.136970E+03 -0.112664E-06 0.100000E-04    0.996010E+00
  62    0.298227E-04    0.135403E+03 -0.220251E-06 0.100000E-04    0.998917E+00
  63   -0.204816E-04    0.130831E+03  0.156550E-06 0.100000E-04    0.999860E+00
  64    0.122012E-04    0.127720E+03 -0.955313E-07 0.100000E-04    0.990924E+00
  65    0.816058E-06    0.126058E+03 -0.647365E-08 0.100000E-04    0.962216E+00
  66   -0.238908E-04    0.125383E+03  0.190542E-06 0.100000E-04    0.998161E+00
  67    0.296137E-05    0.119563E+03 -0.247683E-07 0.100000E-04    0.979818E+00
  68    0.750031E-05    0.117985E+03 -0.635702E-07 0.100000E-04    0.997098E+00
  69    0.290346E-05    0.116824E+03 -0.248534E-07 0.100000E-04    0.995927E+00
  70    0.175441E-04    0.111653E+03 -0.157130E-06 0.100000E-04    0.991969E+00
  71   -0.299626E-05    0.108838E+03  0.275294E-07 0.100000E-04    0.986084E+00
  72    0.372504E-04    0.105068E+03 -0.354536E-06 0.100000E-04    0.995721E+00
  73    0.187938E-04    0.102970E+03 -0.182518E-06 0.100000E-04    0.994672E+00
  74   -0.292835E-04    0.999817E+02  0.292888E-06 0.100000E-04    0.999940E+00
  75    0.391888E-04    0.966516E+02 -0.405464E-06 0.100000E-04    0.992640E+00
  76    0.282484E-04    0.951228E+02 -0.296968E-06 0.100000E-04    0.999126E+00
  77    0.581042E-04    0.917426E+02 -0.633339E-06 0.100000E-04    0.997888E+00
  78    0.130016E-05    0.905359E+02 -0.143608E-07 0.100000E-04    0.967988E+00
  79    0.236753E-04    0.895785E+02 -0.264297E-06 0.100000E-04    0.991539E+00
  80   -0.168939E-04    0.847220E+02  0.199404E-06 0.100000E-04    0.996453E+00
  81   -0.166035E-04    0.809085E+02  0.205213E-06 0.100000E-04    0.996366E+00
  82    0.101963E-04    0.795528E+02 -0.128170E-06 0.100000E-04    0.987188E+00
  83   -0.128954E-04    0.784324E+02  0.164414E-06 0.100000E-04    0.995231E+00
  84   -0.261841E-04    0.727397E+02  0.359969E-06 0.100000E-04    0.996659E+00
  85   -0.371506E-04    0.717943E+02  0.517458E-06 0.100000E-04    0.999475E+00
  86   -0.239382E-04    0.683391E+02  0.350286E-06 0.100000E-04    0.983431E+00
  87    0.307241E-04    0.676794E+02 -0.453965E-06 0.100000E-04    0.989085E+00
  88    0.164932E-06    0.633753E+02 -0.260247E-08 0.100000E-04    0.651234E+00
  89    0.437121E-04    0.610845E+02 -0.715601E-06 0.100000E-04    0.998074E+00
  90   -0.210813E-04    0.596609E+02  0.353352E-06 0.100000E-04    0.999974E+00
  91   -0.712005E-06    0.589395E+02  0.120803E-07 0.100000E-04    0.991191E+00
  92    0.524030E-04    0.559425E+02 -0.936730E-06 0.100000E-04    0.997054E+00
  93    0.383589E-04    0.531681E+02 -0.721464E-06 0.100000E-04    0.998063E+00
  94   -0.340196E-04    0.522286E+02  0.651358E-06 0.100000E-04    0.996586E+00
  95    0.325407E-04    0.502090E+02 -0.648105E-06 0.100000E-04    0.997169E+00
  96    0.110090E-04    0.478504E+02 -0.230071E-06 0.100000E-04    0.996777E+00
  97   -0.335149E-04    0.430894E+02  0.777800E-06 0.100000E-04    0.998784E+00
  98    0.275500E-04    0.401573E+02 -0.686051E-06 0.100000E-04    0.995876E+00
  99    0.913526E-04    0.370573E+02 -0.246517E-05 0.100000E-04    0.997302E+00
 100   -0.117419E-03    0.357168E+02  0.328749E-05 0.100000E-04    0.998000E+00
 101    0.248838E-05    0.356674E+02 -0.697661E-07 0.116669E-04    0.875402E+00
 102   -0.794626E-04    0.288750E+02  0.275195E-05 0.100000E-04    0.997310E+00
 103    0.251615E-04    0.287390E+02 -0.875515E-06 0.100000E-04    0.984978E+00
 104    0.523783E-04    0.282899E+02 -0.185148E-05 0.100000E-04    0.995405E+00
 105   -0.424076E-04    0.229399E+02  0.184864E-05 0.100000E-04    0.998604E+00
 106    0.324900E-05    0.218515E+02 -0.148686E-06 0.100000E-04    0.929365E+00
 107   -0.125044E-03    0.199425E+02  0.627021E-05 0.100000E-04    0.997074E+00
 108   -0.416258E-04    0.168194E+02  0.247487E-05 0.100000E-04    0.995932E+00
 109    0.777598E-04    0.137704E+02 -0.564688E-05 0.100000E-04    0.996939E+00
 110   -0.112971E-02    0.123091E+02  0.100000E-04 0.100000E-04    0.729661E+00
 111    0.361306E-02    0.100103E+02 -0.100000E-04 0.100000E-04    0.410322E+00
 112   -0.867574E-04    0.959180E+01  0.904495E-05 0.100000E-04    0.933374E+00
 113    0.134243E-01    0.753144E+01 -0.121773E-04 0.121773E-04    0.312606E+00
 114   -0.484456E+00    0.461992E+01 -0.400000E-03 0.400000E-03    0.313966E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1037340808    

 Beginning of optimization cycle  235.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3781364120
 potential> RMS force:                                               0.0455649007   |gradient|=.4865000108    
 Eigenvalues of the Hessian matrix:
   727.61114    672.59800    625.74305    604.51000    589.10880    567.53386 
   565.94783    480.68641    467.22788    462.02460    441.32797    430.42931 
   421.34916    407.12956    397.84309    388.81053    367.35084    362.60691 
   351.54584    338.59005    324.98888    321.60557    319.32944    315.21701 
   304.81066    287.87555    279.29332    270.81939    266.12485    263.39178 
   258.51419    253.69232    242.72706    237.84951    235.64291    228.70557 
   222.09860    213.05695    211.80576    208.20153    203.31474    198.00353 
   195.49864    191.60009    185.24720    176.25329    171.27537    167.70238 
   165.51059    159.86531    153.56787    150.97542    149.13239    143.02824 
   136.97079    135.40833    130.82922    127.72149    126.05879    125.38803 
   119.56457    117.98545    116.82624    111.64625    108.82744    105.06455 
   102.97164     99.97861     96.64390     95.12257     91.75383     90.53110 
    89.58598     84.72457     80.90874     79.55579     78.43064     72.73893 
    71.79820     68.33679     67.67124     63.37463     61.07443     59.66118 
    58.94158     55.94380     53.16373     52.22876     50.20758     47.84826 
    43.08610     40.15950     37.05978     35.72305     35.65821     28.87414 
    28.73854     28.28166     22.93847     21.84864     19.94703     16.81968 
    13.77033     12.30797     10.00160      9.59035      7.52937      4.61678 
overlap for current and previous eigenvector    109 is        -0.9999992664
overlap for current and previous eigenvector    110 is        -0.9999991688
overlap for current and previous eigenvector    111 is         0.9998976791
overlap for current and previous eigenvector    112 is        -0.9998981135
overlap for current and previous eigenvector    113 is        -0.9999971501
overlap for current and previous eigenvector    114 is        -0.9999996375
J1,K1,R1,R2,RAT=   7   7   -0.1242627177E-01     2.012259697        0.9875737282    
FOB,PFOB,DIAG,PSTEP=   -0.1780680959E-05   -0.1758823520E-05     727.6111419        0.2417458885E-08
J1,K1,R1,R2,RAT=   8   8   -0.6155782538E-03     2.000577587        0.9993844217    
FOB,PFOB,DIAG,PSTEP=   -0.2898658669E-05   -0.2896875381E-05     672.5979977        0.4307075579E-08
J1,K1,R1,R2,RAT=   9   9    0.2055475508E-01     1.979399735        0.9793997346    
FOB,PFOB,DIAG,PSTEP=    0.5735455556E-06    0.5855823309E-06     625.7430513       -0.9358404461E-09
J1,K1,R1,R2,RAT=  10  10   -0.1002695923E-01     2.010025011        0.9899730408    
FOB,PFOB,DIAG,PSTEP=    0.1676847994E-05    0.1660201208E-05     604.5099978       -0.2746361238E-08
J1,K1,R1,R2,RAT=  11  11   -0.5692372159E-03     2.000594027        0.9994307628    
FOB,PFOB,DIAG,PSTEP=   -0.1102332146E-05   -0.1101705023E-05     589.1088023        0.1870098295E-08
J1,K1,R1,R2,RAT= 109 109     2.001545948       -0.1536256801E-02    0.9984637432    
FOB,PFOB,DIAG,PSTEP=   -0.7787925367E-04    0.7775979524E-04     13.77032940       -0.5646881511E-05
J1,K1,R1,R2,RAT= 110 110     18.63627583       -0.2788694075        0.7211305925    
FOB,PFOB,DIAG,PSTEP=    0.1164035234E-02   -0.1129712070E-02     12.30797035        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5858552491         72.83557252        0.4141447509    
FOB,PFOB,DIAG,PSTEP=    0.3671658668E-02    0.3613063771E-02     10.00159975       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.043663506       -0.4336084819E-01    0.9566391518    
FOB,PFOB,DIAG,PSTEP=    0.9051869972E-04   -0.8675739470E-04     9.590351797        0.9044951593E-05
J1,K1,R1,R2,RAT= 113 113     293.6969129       -0.8713066172        0.1286933828    
FOB,PFOB,DIAG,PSTEP=   -0.1350415280E-01    0.1342426464E-01     7.529371700       -0.1217734785E-04
J1,K1,R1,R2,RAT= 114 114    -525.6663001        0.9968452236        0.3154776396E-02
FOB,PFOB,DIAG,PSTEP=    0.4862971970       -0.4844563124         4.616776409       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00002     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000      0.00002 
     0.00002      0.00003     -0.00002      0.00001     -0.00000     -0.00002 
     0.00000      0.00001     -0.00000     -0.00002      0.00000     -0.00004 
    -0.00002      0.00003      0.00004      0.00003     -0.00006      0.00000 
     0.00002      0.00002     -0.00002     -0.00001      0.00001      0.00003 
    -0.00004     -0.00002      0.00003      0.00000      0.00004     -0.00002 
    -0.00000     -0.00005      0.00004      0.00003     -0.00003     -0.00001 
     0.00003      0.00003      0.00009      0.00012      0.00000     -0.00008 
    -0.00002      0.00005     -0.00004      0.00000     -0.00012     -0.00004 
    -0.00008      0.00116      0.00367      0.00009     -0.01350      0.48630 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4364775378
 Log product of positive Hessian eigenvalues =          520.1320770754
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6167764091
 Unscaled step for mode    7=        0.0000000024
 Unscaled step for mode    8=        0.0000000043
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000028
 Unscaled step for mode   13=        0.0000000045
 Unscaled step for mode   14=        0.0000000098
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000082
 Unscaled step for mode   17=       -0.0000000070
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000290
 Unscaled step for mode   20=       -0.0000000216
 Unscaled step for mode   21=       -0.0000000178
 Unscaled step for mode   22=       -0.0000000090
 Unscaled step for mode   23=        0.0000000019
 Unscaled step for mode   24=       -0.0000000016
 Unscaled step for mode   25=        0.0000000427
 Unscaled step for mode   26=        0.0000000736
 Unscaled step for mode   27=        0.0000000379
 Unscaled step for mode   28=       -0.0000000109
 Unscaled step for mode   29=       -0.0000000046
 Unscaled step for mode   30=        0.0000000663
 Unscaled step for mode   31=        0.0000000246
 Unscaled step for mode   32=        0.0000000115
 Unscaled step for mode   33=       -0.0000000299
 Unscaled step for mode   34=       -0.0000000196
 Unscaled step for mode   35=       -0.0000000797
 Unscaled step for mode   36=       -0.0000000355
 Unscaled step for mode   37=        0.0000000470
 Unscaled step for mode   38=        0.0000000139
 Unscaled step for mode   39=        0.0000000644
 Unscaled step for mode   40=       -0.0000000369
 Unscaled step for mode   41=        0.0000000942
 Unscaled step for mode   42=        0.0000000296
 Unscaled step for mode   43=       -0.0000000322
 Unscaled step for mode   44=        0.0000000633
 Unscaled step for mode   45=       -0.0000000118
 Unscaled step for mode   46=       -0.0000000695
 Unscaled step for mode   47=        0.0000001243
 Unscaled step for mode   48=       -0.0000000097
 Unscaled step for mode   49=        0.0000000850
 Unscaled step for mode   50=        0.0000000447
 Unscaled step for mode   51=        0.0000000593
 Unscaled step for mode   52=        0.0000000043
 Unscaled step for mode   53=        0.0000000542
 Unscaled step for mode   54=       -0.0000000557
 Unscaled step for mode   55=        0.0000001058
 Unscaled step for mode   56=        0.0000000359
 Unscaled step for mode   57=        0.0000000331
 Unscaled step for mode   58=       -0.0000001148
 Unscaled step for mode   59=       -0.0000000327
 Unscaled step for mode   60=       -0.0000001151
 Unscaled step for mode   61=       -0.0000001136
 Unscaled step for mode   62=       -0.0000002208
 Unscaled step for mode   63=        0.0000001573
 Unscaled step for mode   64=       -0.0000000963
 Unscaled step for mode   65=        0.0000000070
 Unscaled step for mode   66=        0.0000001913
 Unscaled step for mode   67=       -0.0000000248
 Unscaled step for mode   68=       -0.0000000639
 Unscaled step for mode   69=        0.0000000252
 Unscaled step for mode   70=        0.0000001577
 Unscaled step for mode   71=       -0.0000000279
 Unscaled step for mode   72=        0.0000003569
 Unscaled step for mode   73=        0.0000001834
 Unscaled step for mode   74=       -0.0000002937
 Unscaled step for mode   75=       -0.0000004082
 Unscaled step for mode   76=       -0.0000002970
 Unscaled step for mode   77=        0.0000006342
 Unscaled step for mode   78=       -0.0000000140
 Unscaled step for mode   79=       -0.0000002632
 Unscaled step for mode   80=       -0.0000001998
 Unscaled step for mode   81=        0.0000002061
 Unscaled step for mode   82=        0.0000001274
 Unscaled step for mode   83=       -0.0000001641
 Unscaled step for mode   84=       -0.0000003626
 Unscaled step for mode   85=        0.0000005199
 Unscaled step for mode   86=        0.0000003450
 Unscaled step for mode   87=       -0.0000004590
 Unscaled step for mode   88=       -0.0000000023
 Unscaled step for mode   89=       -0.0000007184
 Unscaled step for mode   90=        0.0000003564
 Unscaled step for mode   91=        0.0000000120
 Unscaled step for mode   92=        0.0000009383
 Unscaled step for mode   93=       -0.0000007228
 Unscaled step for mode   94=       -0.0000006556
 Unscaled step for mode   95=        0.0000006487
 Unscaled step for mode   96=        0.0000002287
 Unscaled step for mode   97=       -0.0000007820
 Unscaled step for mode   98=       -0.0000006899
 Unscaled step for mode   99=       -0.0000024824
 Unscaled step for mode  100=       -0.0000032847
 Unscaled step for mode  101=       -0.0000000665
 Unscaled step for mode  102=        0.0000027679
 Unscaled step for mode  103=        0.0000008671
 Unscaled step for mode  104=       -0.0000018734
 Unscaled step for mode  105=        0.0000018553
 Unscaled step for mode  106=       -0.0000001760
 Unscaled step for mode  107=        0.0000062613
 Unscaled step for mode  108=        0.0000024362
 Unscaled step for mode  109=        0.0000056556
 Unscaled step for mode  110=       -0.0000945757
 Unscaled step for mode  111=       -0.0003671071
 Unscaled step for mode  112=       -0.0000094385
 Unscaled step for mode  113=        0.0017935241
 Unscaled step for mode  114=        0.1041892023
 Largest modulus ratio of non-zero e/values=           157.6015552    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.427176E-16    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.457316E-15    0.100736E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.168981E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.267581E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.286880E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.165503E-15    0.973738E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.178068E-05    0.727611E+03  0.244730E-08 0.100000E-04    0.987574E+00
   8   -0.289866E-05    0.672598E+03  0.430965E-08 0.100000E-04    0.999384E+00
   9    0.573546E-06    0.625743E+03 -0.916583E-09 0.100000E-04    0.979400E+00
  10    0.167685E-05    0.604510E+03 -0.277390E-08 0.100000E-04    0.989973E+00
  11   -0.110233E-05    0.589109E+03  0.187119E-08 0.100000E-04    0.999431E+00
  12    0.161173E-05    0.567534E+03 -0.283989E-08 0.100000E-04    0.979256E+00
  13   -0.253404E-05    0.565948E+03  0.447751E-08 0.100000E-04    0.998558E+00
  14   -0.470706E-05    0.480686E+03  0.979238E-08 0.100000E-04    0.997242E+00
  15    0.181183E-05    0.467228E+03 -0.387782E-08 0.100000E-04    0.991894E+00
  16    0.379815E-05    0.462025E+03 -0.822066E-08 0.100000E-04    0.992250E+00
  17    0.310161E-05    0.441328E+03 -0.702791E-08 0.100000E-04    0.991874E+00
  18    0.452188E-05    0.430429E+03 -0.105055E-07 0.100000E-04    0.998639E+00
  19   -0.122115E-04    0.421349E+03  0.289820E-07 0.100000E-04    0.995702E+00
  20    0.880093E-05    0.407130E+03 -0.216170E-07 0.100000E-04    0.999781E+00
  21    0.706845E-05    0.397843E+03 -0.177669E-07 0.100000E-04    0.997694E+00
  22    0.348882E-05    0.388811E+03 -0.897306E-08 0.100000E-04    0.986212E+00
  23   -0.710428E-06    0.367351E+03  0.193392E-08 0.100000E-04    0.989211E+00
  24    0.597675E-06    0.362607E+03 -0.164827E-08 0.100000E-04    0.954799E+00
  25   -0.150091E-04    0.351546E+03  0.426945E-07 0.100000E-04    0.996585E+00
  26   -0.249284E-04    0.338590E+03  0.736241E-07 0.100000E-04    0.995588E+00
  27   -0.123234E-04    0.324989E+03  0.379195E-07 0.100000E-04    0.996631E+00
  28    0.349775E-05    0.321606E+03 -0.108759E-07 0.100000E-04    0.969367E+00
  29    0.146083E-05    0.319329E+03 -0.457468E-08 0.100000E-04    0.953997E+00
  30   -0.209003E-04    0.315217E+03  0.663045E-07 0.100000E-04    0.997887E+00
  31   -0.751176E-05    0.304811E+03  0.246440E-07 0.100000E-04    0.994279E+00
  32   -0.331930E-05    0.287876E+03  0.115303E-07 0.100000E-04    0.986283E+00
  33    0.834415E-05    0.279293E+03 -0.298759E-07 0.100000E-04    0.993060E+00
  34    0.531413E-05    0.270819E+03 -0.196224E-07 0.100000E-04    0.989826E+00
  35    0.212204E-04    0.266125E+03 -0.797385E-07 0.100000E-04    0.998402E+00
  36    0.935663E-05    0.263392E+03 -0.355236E-07 0.100000E-04    0.991045E+00
  37   -0.121418E-04    0.258514E+03  0.469678E-07 0.100000E-04    0.995006E+00
  38   -0.352487E-05    0.253692E+03  0.138943E-07 0.100000E-04    0.994283E+00
  39   -0.156239E-04    0.242727E+03  0.643684E-07 0.100000E-04    0.996469E+00
  40    0.878701E-05    0.237850E+03 -0.369436E-07 0.100000E-04    0.987857E+00
  41   -0.221897E-04    0.235643E+03  0.941665E-07 0.100000E-04    0.990102E+00
  42   -0.676383E-05    0.228706E+03  0.295744E-07 0.100000E-04    0.993601E+00
  43    0.714246E-05    0.222099E+03 -0.321589E-07 0.100000E-04    0.993352E+00
  44   -0.134894E-04    0.213057E+03  0.633138E-07 0.100000E-04    0.994577E+00
  45    0.250564E-05    0.211806E+03 -0.118299E-07 0.100000E-04    0.991283E+00
  46    0.144757E-04    0.208202E+03 -0.695274E-07 0.100000E-04    0.995177E+00
  47   -0.252810E-04    0.203315E+03  0.124344E-06 0.100000E-04    0.997765E+00
  48    0.192599E-05    0.198004E+03 -0.972705E-08 0.100000E-04    0.987503E+00
  49   -0.166193E-04    0.195499E+03  0.850099E-07 0.100000E-04    0.996765E+00
  50   -0.856461E-05    0.191600E+03  0.447005E-07 0.100000E-04    0.991725E+00
  51   -0.109788E-04    0.185247E+03  0.592657E-07 0.100000E-04    0.997653E+00
  52   -0.758004E-06    0.176253E+03  0.430065E-08 0.100000E-04    0.993332E+00
  53   -0.927570E-05    0.171275E+03  0.541566E-07 0.100000E-04    0.997072E+00
  54    0.933622E-05    0.167702E+03 -0.556713E-07 0.100000E-04    0.994798E+00
  55   -0.175103E-04    0.165511E+03  0.105795E-06 0.100000E-04    0.998007E+00
  56   -0.573864E-05    0.159865E+03  0.358967E-07 0.100000E-04    0.993155E+00
  57   -0.507982E-05    0.153568E+03  0.330786E-07 0.100000E-04    0.993566E+00
  58    0.173322E-04    0.150975E+03 -0.114801E-06 0.100000E-04    0.995037E+00
  59    0.487591E-05    0.149132E+03 -0.326952E-07 0.100000E-04    0.982910E+00
  60    0.164680E-04    0.143028E+03 -0.115138E-06 0.100000E-04    0.998731E+00
  61    0.155593E-04    0.136971E+03 -0.113596E-06 0.100000E-04    0.991727E+00
  62    0.298977E-04    0.135408E+03 -0.220796E-06 0.100000E-04    0.997485E+00
  63   -0.205732E-04    0.130829E+03  0.157252E-06 0.100000E-04    0.995528E+00
  64    0.123016E-04    0.127721E+03 -0.963155E-07 0.100000E-04    0.991775E+00
  65   -0.884426E-06    0.126059E+03  0.701598E-08 0.100000E-04    0.916221E+00
  66   -0.239918E-04    0.125388E+03  0.191341E-06 0.100000E-04    0.995771E+00
  67    0.296184E-05    0.119565E+03 -0.247719E-07 0.100000E-04    0.999839E+00
  68    0.753660E-05    0.117985E+03 -0.638773E-07 0.100000E-04    0.995163E+00
  69   -0.294821E-05    0.116826E+03  0.252358E-07 0.100000E-04    0.984591E+00
  70   -0.176015E-04    0.111646E+03  0.157654E-06 0.100000E-04    0.996730E+00
  71    0.303365E-05    0.108827E+03 -0.278758E-07 0.100000E-04    0.987519E+00
  72   -0.375018E-04    0.105065E+03  0.356941E-06 0.100000E-04    0.993251E+00
  73   -0.188862E-04    0.102972E+03  0.183412E-06 0.100000E-04    0.995085E+00
  74    0.293603E-04    0.999786E+02 -0.293666E-06 0.100000E-04    0.997376E+00
  75    0.394539E-04    0.966439E+02 -0.408240E-06 0.100000E-04    0.993234E+00
  76    0.282476E-04    0.951226E+02 -0.296960E-06 0.100000E-04    0.999974E+00
  77   -0.581920E-04    0.917538E+02  0.634219E-06 0.100000E-04    0.998488E+00
  78    0.127153E-05    0.905311E+02 -0.140453E-07 0.100000E-04    0.977977E+00
  79    0.235774E-04    0.895860E+02 -0.263181E-06 0.100000E-04    0.995696E+00
  80    0.169311E-04    0.847246E+02 -0.199837E-06 0.100000E-04    0.997798E+00
  81   -0.166757E-04    0.809087E+02  0.206105E-06 0.100000E-04    0.995650E+00
  82   -0.101389E-04    0.795558E+02  0.127444E-06 0.100000E-04    0.994299E+00
  83    0.128743E-04    0.784306E+02 -0.164149E-06 0.100000E-04    0.998366E+00
  84    0.263735E-04    0.727389E+02 -0.362578E-06 0.100000E-04    0.992765E+00
  85   -0.373284E-04    0.717982E+02  0.519907E-06 0.100000E-04    0.995214E+00
  86   -0.235792E-04    0.683368E+02  0.345045E-06 0.100000E-04    0.985004E+00
  87    0.310578E-04    0.676712E+02 -0.458951E-06 0.100000E-04    0.989136E+00
  88    0.145204E-06    0.633746E+02 -0.229121E-08 0.100000E-04    0.880387E+00
  89    0.438738E-04    0.610744E+02 -0.718367E-06 0.100000E-04    0.996300E+00
  90   -0.212642E-04    0.596612E+02  0.356417E-06 0.100000E-04    0.991320E+00
  91   -0.709813E-06    0.589416E+02  0.120426E-07 0.100000E-04    0.996850E+00
  92   -0.524900E-04    0.559438E+02  0.938263E-06 0.100000E-04    0.998340E+00
  93    0.384257E-04    0.531637E+02 -0.722781E-06 0.100000E-04    0.998258E+00
  94    0.342413E-04    0.522288E+02 -0.655602E-06 0.100000E-04    0.993482E+00
  95   -0.325696E-04    0.502076E+02  0.648699E-06 0.100000E-04    0.999112E+00
  96   -0.109440E-04    0.478483E+02  0.228722E-06 0.100000E-04    0.994093E+00
  97    0.336930E-04    0.430861E+02 -0.781992E-06 0.100000E-04    0.994686E+00
  98    0.277050E-04    0.401595E+02 -0.689875E-06 0.100000E-04    0.994372E+00
  99    0.919979E-04    0.370598E+02 -0.248242E-05 0.100000E-04    0.992937E+00
 100    0.117341E-03    0.357231E+02 -0.328473E-05 0.100000E-04    0.998987E+00
 101    0.237199E-05    0.356582E+02 -0.665202E-07 0.105107E-04    0.953216E+00
 102   -0.799206E-04    0.288741E+02  0.276789E-05 0.100000E-04    0.994236E+00
 103   -0.249202E-04    0.287385E+02  0.867136E-06 0.100000E-04    0.990412E+00
 104    0.529816E-04    0.282817E+02 -0.187336E-05 0.100000E-04    0.988478E+00
 105   -0.425574E-04    0.229385E+02  0.185528E-05 0.100000E-04    0.996468E+00
 106    0.384548E-05    0.218486E+02 -0.176006E-06 0.100000E-04    0.816386E+00
 107   -0.124895E-03    0.199470E+02  0.626132E-05 0.100000E-04    0.998357E+00
 108   -0.409769E-04    0.168197E+02  0.243625E-05 0.100000E-04    0.984378E+00
 109   -0.778793E-04    0.137703E+02  0.565558E-05 0.100000E-04    0.998464E+00
 110    0.116404E-02    0.123080E+02 -0.100000E-04 0.100000E-04    0.721131E+00
 111    0.367166E-02    0.100016E+02 -0.100000E-04 0.100000E-04    0.414145E+00
 112    0.905187E-04    0.959035E+01 -0.943852E-05 0.100000E-04    0.956639E+00
 113   -0.135042E-01    0.752937E+01  0.132733E-04 0.132733E-04    0.128693E+00
 114    0.486297E+00    0.461678E+01  0.400000E-03 0.400000E-03    0.315478E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1041892023    

 Beginning of optimization cycle  236.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3779417515
 potential> RMS force:                                               0.0457373581   |gradient|=.4883413515    
 Eigenvalues of the Hessian matrix:
   727.67173    672.61067    625.75726    604.51054    589.10140    567.57242 
   565.96454    480.70859    467.20491    462.01597    441.32823    430.42096 
   421.35512    407.13943    397.83896    388.81201    367.35541    362.59741 
   351.53819    338.55865    324.99671    321.60357    319.34273    315.18878 
   304.80413    287.88148    279.28768    270.81615    266.13121    263.40178 
   258.52305    253.69509    242.72101    237.84235    235.64763    228.70522 
   222.07859    213.06353    211.81040    208.18979    203.31784    197.99935 
   195.49755    191.59978    185.23698    176.23974    171.28141    167.69891 
   165.50745    159.85766    153.57061    150.97670    149.13153    143.03105 
   136.97150    135.41356    130.82752    127.72349    126.05913    125.39254 
   119.56628    117.98609    116.82877    111.63908    108.81648    105.06103 
   102.97326     99.97557     96.63612     95.12227     91.76509     90.52637 
    89.59343     84.72721     80.90897     79.55880     78.42887     72.73815 
    71.80205     68.33454     67.66296     63.37393     61.06429     59.66151 
    58.94364     55.94510     53.15931     52.22888     50.20618     47.84613 
    43.08285     40.16165     37.06227     35.72923     35.64894     28.87325 
    28.73805     28.27338     22.93711     21.84577     19.95152     16.81994 
    13.77027     12.30686      9.99312      9.58875      7.52726      4.61361 
overlap for current and previous eigenvector    109 is         0.9999992741
overlap for current and previous eigenvector    110 is         0.9999991765
overlap for current and previous eigenvector    111 is         0.9998914621
overlap for current and previous eigenvector    112 is         0.9998918043
overlap for current and previous eigenvector    113 is         0.9999971094
overlap for current and previous eigenvector    114 is         0.9999996371
J1,K1,R1,R2,RAT=   7   7   -0.1083784435E-01     2.010671330        0.9891621556    
FOB,PFOB,DIAG,PSTEP=   -0.1799981309E-05   -0.1780680959E-05     727.6717259        0.2447297542E-08
J1,K1,R1,R2,RAT=   8   8   -0.1056434466E-01     2.010526658        0.9894356553    
FOB,PFOB,DIAG,PSTEP=   -0.2929281675E-05   -0.2898658669E-05     672.6106718        0.4309645106E-08
J1,K1,R1,R2,RAT=   9   9    0.1238973408E-01     1.987564847        0.9875648470    
FOB,PFOB,DIAG,PSTEP=    0.5664393174E-06    0.5735455556E-06     625.7572619       -0.9165831797E-09
J1,K1,R1,R2,RAT=  10  10    0.5406685623E-02     1.994591509        0.9945915091    
FOB,PFOB,DIAG,PSTEP=    0.1667781796E-05    0.1676847994E-05     604.5105434       -0.2773896214E-08
J1,K1,R1,R2,RAT=  11  11    0.4994101554E-02     1.995031025        0.9950058984    
FOB,PFOB,DIAG,PSTEP=   -0.1096827057E-05   -0.1102332146E-05     589.1014011        0.1871186005E-08
J1,K1,R1,R2,RAT= 109 109   -0.2723623074E-02     2.002732397        0.9972763769    
FOB,PFOB,DIAG,PSTEP=   -0.7809136647E-04   -0.7787925367E-04     13.77026898        0.5655583932E-05
J1,K1,R1,R2,RAT= 110 110   -0.2775748342         19.19443008        0.7224251658    
FOB,PFOB,DIAG,PSTEP=    0.1198195974E-02    0.1164035234E-02     12.30685776       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.6005568157         74.08432336        0.3994431843    
FOB,PFOB,DIAG,PSTEP=    0.3731673001E-02    0.3671658668E-02     9.993115052       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6351576648E-01     2.063850207        0.9364842335    
FOB,PFOB,DIAG,PSTEP=    0.9626710307E-04    0.9051869972E-04     9.588748365       -0.9438517130E-05
J1,K1,R1,R2,RAT= 113 113   -0.7294517354         271.0514099        0.2705482646    
FOB,PFOB,DIAG,PSTEP=   -0.1357703351E-01   -0.1350415280E-01     7.527258044        0.1327330916E-04
J1,K1,R1,R2,RAT= 114 114    0.9968040870        -528.0217069        0.3195912992E-02
FOB,PFOB,DIAG,PSTEP=    0.4881367420        0.4862971970         4.613607387        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000      0.00002 
     0.00002      0.00003     -0.00002      0.00001     -0.00000     -0.00002 
     0.00000      0.00001     -0.00000     -0.00002      0.00000     -0.00004 
    -0.00002      0.00003     -0.00004     -0.00003     -0.00006      0.00000 
    -0.00002     -0.00002      0.00002      0.00001      0.00001     -0.00003 
     0.00004     -0.00002     -0.00003     -0.00000      0.00004      0.00002 
    -0.00000      0.00005     -0.00004     -0.00003      0.00003     -0.00001 
     0.00003      0.00003     -0.00009     -0.00012      0.00000     -0.00008 
    -0.00002      0.00005     -0.00004      0.00000     -0.00012     -0.00004 
    -0.00008      0.00120      0.00373      0.00010     -0.01358      0.48814 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4364050284
 Log product of positive Hessian eigenvalues =          520.1291498441
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6136073869
 Unscaled step for mode    7=        0.0000000025
 Unscaled step for mode    8=        0.0000000044
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000027
 Unscaled step for mode   13=        0.0000000045
 Unscaled step for mode   14=        0.0000000097
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000083
 Unscaled step for mode   17=       -0.0000000070
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000291
 Unscaled step for mode   20=       -0.0000000216
 Unscaled step for mode   21=       -0.0000000178
 Unscaled step for mode   22=       -0.0000000091
 Unscaled step for mode   23=        0.0000000019
 Unscaled step for mode   24=       -0.0000000016
 Unscaled step for mode   25=        0.0000000428
 Unscaled step for mode   26=        0.0000000739
 Unscaled step for mode   27=        0.0000000381
 Unscaled step for mode   28=       -0.0000000112
 Unscaled step for mode   29=       -0.0000000047
 Unscaled step for mode   30=        0.0000000666
 Unscaled step for mode   31=        0.0000000249
 Unscaled step for mode   32=        0.0000000117
 Unscaled step for mode   33=       -0.0000000300
 Unscaled step for mode   34=       -0.0000000197
 Unscaled step for mode   35=       -0.0000000800
 Unscaled step for mode   36=       -0.0000000359
 Unscaled step for mode   37=        0.0000000472
 Unscaled step for mode   38=        0.0000000139
 Unscaled step for mode   39=        0.0000000645
 Unscaled step for mode   40=       -0.0000000365
 Unscaled step for mode   41=        0.0000000952
 Unscaled step for mode   42=        0.0000000299
 Unscaled step for mode   43=       -0.0000000325
 Unscaled step for mode   44=        0.0000000640
 Unscaled step for mode   45=       -0.0000000116
 Unscaled step for mode   46=       -0.0000000700
 Unscaled step for mode   47=        0.0000001248
 Unscaled step for mode   48=       -0.0000000099
 Unscaled step for mode   49=        0.0000000855
 Unscaled step for mode   50=        0.0000000445
 Unscaled step for mode   51=        0.0000000596
 Unscaled step for mode   52=        0.0000000044
 Unscaled step for mode   53=        0.0000000543
 Unscaled step for mode   54=       -0.0000000562
 Unscaled step for mode   55=        0.0000001061
 Unscaled step for mode   56=        0.0000000360
 Unscaled step for mode   57=        0.0000000332
 Unscaled step for mode   58=       -0.0000001153
 Unscaled step for mode   59=       -0.0000000324
 Unscaled step for mode   60=       -0.0000001156
 Unscaled step for mode   61=       -0.0000001141
 Unscaled step for mode   62=       -0.0000002210
 Unscaled step for mode   63=        0.0000001573
 Unscaled step for mode   64=       -0.0000000972
 Unscaled step for mode   65=        0.0000000073
 Unscaled step for mode   66=        0.0000001916
 Unscaled step for mode   67=       -0.0000000253
 Unscaled step for mode   68=       -0.0000000640
 Unscaled step for mode   69=        0.0000000253
 Unscaled step for mode   70=        0.0000001589
 Unscaled step for mode   71=       -0.0000000282
 Unscaled step for mode   72=        0.0000003585
 Unscaled step for mode   73=        0.0000001844
 Unscaled step for mode   74=       -0.0000002936
 Unscaled step for mode   75=        0.0000004113
 Unscaled step for mode   76=        0.0000002972
 Unscaled step for mode   77=        0.0000006355
 Unscaled step for mode   78=       -0.0000000136
 Unscaled step for mode   79=        0.0000002609
 Unscaled step for mode   80=        0.0000002005
 Unscaled step for mode   81=       -0.0000002068
 Unscaled step for mode   82=       -0.0000001257
 Unscaled step for mode   83=       -0.0000001649
 Unscaled step for mode   84=        0.0000003638
 Unscaled step for mode   85=       -0.0000005202
 Unscaled step for mode   86=        0.0000003392
 Unscaled step for mode   87=        0.0000004637
 Unscaled step for mode   88=        0.0000000010
 Unscaled step for mode   89=       -0.0000007201
 Unscaled step for mode   90=       -0.0000003564
 Unscaled step for mode   91=        0.0000000119
 Unscaled step for mode   92=       -0.0000009409
 Unscaled step for mode   93=        0.0000007213
 Unscaled step for mode   94=        0.0000006577
 Unscaled step for mode   95=       -0.0000006467
 Unscaled step for mode   96=        0.0000002294
 Unscaled step for mode   97=       -0.0000007813
 Unscaled step for mode   98=       -0.0000006926
 Unscaled step for mode   99=        0.0000024889
 Unscaled step for mode  100=        0.0000032791
 Unscaled step for mode  101=       -0.0000000647
 Unscaled step for mode  102=        0.0000027754
 Unscaled step for mode  103=        0.0000008530
 Unscaled step for mode  104=       -0.0000018823
 Unscaled step for mode  105=        0.0000018595
 Unscaled step for mode  106=       -0.0000001652
 Unscaled step for mode  107=        0.0000062455
 Unscaled step for mode  108=        0.0000024254
 Unscaled step for mode  109=        0.0000056710
 Unscaled step for mode  110=       -0.0000973600
 Unscaled step for mode  111=       -0.0003734243
 Unscaled step for mode  112=       -0.0000100396
 Unscaled step for mode  113=        0.0018037098
 Unscaled step for mode  114=        0.1046450888
 Largest modulus ratio of non-zero e/values=           157.7229410    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.217057E-15    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.396818E-16    0.100735E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.596311E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.163498E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.126004E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.302709E-15    0.973740E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.179998E-05    0.727672E+03  0.247362E-08 0.100000E-04    0.989162E+00
   8   -0.292928E-05    0.672611E+03  0.435509E-08 0.100000E-04    0.989436E+00
   9    0.566439E-06    0.625757E+03 -0.905206E-09 0.100000E-04    0.987565E+00
  10    0.166778E-05    0.604511E+03 -0.275890E-08 0.100000E-04    0.994592E+00
  11   -0.109683E-05    0.589101E+03  0.186186E-08 0.100000E-04    0.995006E+00
  12    0.155602E-05    0.567572E+03 -0.274153E-08 0.100000E-04    0.965298E+00
  13   -0.256581E-05    0.565965E+03  0.453352E-08 0.100000E-04    0.987460E+00
  14   -0.467658E-05    0.480709E+03  0.972852E-08 0.100000E-04    0.993432E+00
  15    0.181561E-05    0.467205E+03 -0.388611E-08 0.100000E-04    0.997910E+00
  16    0.381447E-05    0.462016E+03 -0.825615E-08 0.100000E-04    0.995701E+00
  17    0.309976E-05    0.441328E+03 -0.702371E-08 0.100000E-04    0.999403E+00
  18    0.451950E-05    0.430421E+03 -0.105002E-07 0.100000E-04    0.999475E+00
  19   -0.122463E-04    0.421355E+03  0.290641E-07 0.100000E-04    0.997153E+00
  20    0.877648E-05    0.407139E+03 -0.215565E-07 0.100000E-04    0.997174E+00
  21    0.706764E-05    0.397839E+03 -0.177651E-07 0.100000E-04    0.999886E+00
  22    0.353068E-05    0.388812E+03 -0.908068E-08 0.100000E-04    0.988002E+00
  23   -0.680977E-06    0.367355E+03  0.185373E-08 0.100000E-04    0.958520E+00
  24    0.569447E-06    0.362597E+03 -0.157047E-08 0.100000E-04    0.952768E+00
  25   -0.150586E-04    0.351538E+03  0.428362E-07 0.100000E-04    0.996703E+00
  26   -0.250231E-04    0.338559E+03  0.739106E-07 0.100000E-04    0.996202E+00
  27   -0.123749E-04    0.324997E+03  0.380771E-07 0.100000E-04    0.995820E+00
  28    0.359382E-05    0.321604E+03 -0.111747E-07 0.100000E-04    0.972535E+00
  29    0.150073E-05    0.319343E+03 -0.469944E-08 0.100000E-04    0.972685E+00
  30   -0.209845E-04    0.315189E+03  0.665776E-07 0.100000E-04    0.995971E+00
  31   -0.758690E-05    0.304804E+03  0.248911E-07 0.100000E-04    0.989997E+00
  32   -0.335615E-05    0.287881E+03  0.116581E-07 0.100000E-04    0.988896E+00
  33    0.837169E-05    0.279288E+03 -0.299751E-07 0.100000E-04    0.996699E+00
  34    0.534488E-05    0.270816E+03 -0.197362E-07 0.100000E-04    0.994214E+00
  35    0.212924E-04    0.266131E+03 -0.800071E-07 0.100000E-04    0.996608E+00
  36    0.944800E-05    0.263402E+03 -0.358692E-07 0.100000E-04    0.990235E+00
  37   -0.122000E-04    0.258523E+03  0.471913E-07 0.100000E-04    0.995208E+00
  38   -0.351575E-05    0.253695E+03  0.138582E-07 0.100000E-04    0.997389E+00
  39   -0.156610E-04    0.242721E+03  0.645227E-07 0.100000E-04    0.997627E+00
  40    0.869238E-05    0.237842E+03 -0.365468E-07 0.100000E-04    0.989231E+00
  41   -0.224260E-04    0.235648E+03  0.951674E-07 0.100000E-04    0.989351E+00
  42   -0.682776E-05    0.228705E+03  0.298540E-07 0.100000E-04    0.990549E+00
  43    0.721999E-05    0.222079E+03 -0.325110E-07 0.100000E-04    0.989144E+00
  44   -0.136342E-04    0.213064E+03  0.639912E-07 0.100000E-04    0.989270E+00
  45    0.246101E-05    0.211810E+03 -0.116189E-07 0.100000E-04    0.982145E+00
  46    0.145745E-04    0.208190E+03 -0.700058E-07 0.100000E-04    0.993176E+00
  47   -0.253837E-04    0.203318E+03  0.124847E-06 0.100000E-04    0.995937E+00
  48    0.195083E-05    0.197999E+03 -0.985272E-08 0.100000E-04    0.987102E+00
  49   -0.167229E-04    0.195498E+03  0.855405E-07 0.100000E-04    0.993764E+00
  50   -0.853253E-05    0.191600E+03  0.445331E-07 0.100000E-04    0.996254E+00
  51   -0.110438E-04    0.185237E+03  0.596200E-07 0.100000E-04    0.994078E+00
  52   -0.781110E-06    0.176240E+03  0.443209E-08 0.100000E-04    0.969514E+00
  53   -0.930073E-05    0.171281E+03  0.543009E-07 0.100000E-04    0.997302E+00
  54    0.941780E-05    0.167699E+03 -0.561590E-07 0.100000E-04    0.991261E+00
  55   -0.175583E-04    0.165507E+03  0.106088E-06 0.100000E-04    0.997257E+00
  56   -0.575286E-05    0.159858E+03  0.359874E-07 0.100000E-04    0.997523E+00
  57   -0.510602E-05    0.153571E+03  0.332487E-07 0.100000E-04    0.994841E+00
  58    0.174099E-04    0.150977E+03 -0.115315E-06 0.100000E-04    0.995517E+00
  59    0.482857E-05    0.149132E+03 -0.323779E-07 0.100000E-04    0.990291E+00
  60    0.165305E-04    0.143031E+03 -0.115573E-06 0.100000E-04    0.996207E+00
  61    0.156229E-04    0.136971E+03 -0.114059E-06 0.100000E-04    0.995917E+00
  62    0.299255E-04    0.135414E+03 -0.220993E-06 0.100000E-04    0.999070E+00
  63   -0.205777E-04    0.130828E+03  0.157289E-06 0.100000E-04    0.999782E+00
  64    0.124165E-04    0.127723E+03 -0.972138E-07 0.100000E-04    0.990658E+00
  65   -0.918836E-06    0.126059E+03  0.728893E-08 0.100000E-04    0.961094E+00
  66   -0.240305E-04    0.125393E+03  0.191642E-06 0.100000E-04    0.998389E+00
  67    0.302079E-05    0.119566E+03 -0.252645E-07 0.100000E-04    0.980099E+00
  68    0.755443E-05    0.117986E+03 -0.640282E-07 0.100000E-04    0.997633E+00
  69   -0.295941E-05    0.116829E+03  0.253312E-07 0.100000E-04    0.996200E+00
  70   -0.177376E-04    0.111639E+03  0.158884E-06 0.100000E-04    0.992267E+00
  71    0.307339E-05    0.108816E+03 -0.282438E-07 0.100000E-04    0.986899E+00
  72   -0.376639E-04    0.105061E+03  0.358495E-06 0.100000E-04    0.995678E+00
  73   -0.189850E-04    0.102973E+03  0.184368E-06 0.100000E-04    0.994769E+00
  74    0.293533E-04    0.999756E+02 -0.293605E-06 0.100000E-04    0.999761E+00
  75   -0.397447E-04    0.966361E+02  0.411283E-06 0.100000E-04    0.992628E+00
  76   -0.282680E-04    0.951223E+02  0.297175E-06 0.100000E-04    0.999280E+00
  77   -0.583135E-04    0.917651E+02  0.635465E-06 0.100000E-04    0.997912E+00
  78    0.122700E-05    0.905264E+02 -0.135541E-07 0.100000E-04    0.964978E+00
  79   -0.233744E-04    0.895934E+02  0.260894E-06 0.100000E-04    0.991227E+00
  80   -0.169917E-04    0.847272E+02  0.200546E-06 0.100000E-04    0.996418E+00
  81    0.167342E-04    0.809090E+02 -0.206828E-06 0.100000E-04    0.996491E+00
  82    0.100039E-04    0.795588E+02 -0.125743E-06 0.100000E-04    0.986610E+00
  83    0.129366E-04    0.784289E+02 -0.164947E-06 0.100000E-04    0.995159E+00
  84   -0.264602E-04    0.727382E+02  0.363773E-06 0.100000E-04    0.996713E+00
  85    0.373502E-04    0.718020E+02 -0.520183E-06 0.100000E-04    0.999416E+00
  86   -0.231771E-04    0.683345E+02  0.339171E-06 0.100000E-04    0.982944E+00
  87   -0.313759E-04    0.676630E+02  0.463708E-06 0.100000E-04    0.989758E+00
  88   -0.622684E-07    0.633739E+02  0.982556E-09 0.100000E-04    0.428826E+00
  89    0.439705E-04    0.610643E+02 -0.720068E-06 0.100000E-04    0.997798E+00
  90    0.212650E-04    0.596615E+02 -0.356427E-06 0.100000E-04    0.999966E+00
  91   -0.701525E-06    0.589436E+02  0.119016E-07 0.100000E-04    0.988255E+00
  92    0.526414E-04    0.559451E+02 -0.940947E-06 0.100000E-04    0.997117E+00
  93   -0.383443E-04    0.531593E+02  0.721309E-06 0.100000E-04    0.997880E+00
  94   -0.343491E-04    0.522289E+02  0.657664E-06 0.100000E-04    0.996852E+00
  95    0.324688E-04    0.502062E+02 -0.646710E-06 0.100000E-04    0.996906E+00
  96   -0.109772E-04    0.478461E+02  0.229428E-06 0.100000E-04    0.996960E+00
  97    0.336614E-04    0.430829E+02 -0.781317E-06 0.100000E-04    0.999062E+00
  98    0.278160E-04    0.401617E+02 -0.692601E-06 0.100000E-04    0.995995E+00
  99   -0.922441E-04    0.370623E+02  0.248890E-05 0.100000E-04    0.997324E+00
 100   -0.117159E-03    0.357292E+02  0.327907E-05 0.100000E-04    0.998103E+00
 101    0.230648E-05    0.356489E+02 -0.646999E-07 0.100000E-04    0.972376E+00
 102   -0.801335E-04    0.288733E+02  0.277535E-05 0.100000E-04    0.997335E+00
 103   -0.245133E-04    0.287380E+02  0.852993E-06 0.100000E-04    0.983673E+00
 104    0.532184E-04    0.282734E+02 -0.188228E-05 0.100000E-04    0.995530E+00
 105   -0.426514E-04    0.229371E+02  0.185949E-05 0.100000E-04    0.997790E+00
 106    0.360905E-05    0.218458E+02 -0.165206E-06 0.100000E-04    0.938510E+00
 107   -0.124608E-03    0.199515E+02  0.624552E-05 0.100000E-04    0.997250E+00
 108   -0.407946E-04    0.168199E+02  0.242537E-05 0.100000E-04    0.995520E+00
 109   -0.780914E-04    0.137703E+02  0.567101E-05 0.100000E-04    0.997276E+00
 110    0.119820E-02    0.123069E+02 -0.100000E-04 0.100000E-04    0.722425E+00
 111    0.373167E-02    0.999312E+01 -0.100000E-04 0.100000E-04    0.399443E+00
 112    0.962671E-04    0.958875E+01 -0.100000E-04 0.100000E-04    0.936484E+00
 113   -0.135770E-01    0.752726E+01  0.119579E-04 0.119579E-04    0.270548E+00
 114    0.488137E+00    0.461361E+01  0.400000E-03 0.400000E-03    0.319591E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1046450888    

 Beginning of optimization cycle  237.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3777463397
 potential> RMS force:                                               0.0459097197   |gradient|=.4901816693    
 Eigenvalues of the Hessian matrix:
   727.73234    672.62347    625.77150    604.51082    589.09409    567.61097 
   565.98111    480.73086    467.18195    462.00733    441.32852    430.41253 
   421.36099    407.14924    397.83482    388.81344    367.35996    362.58793 
   351.53044    338.52728    325.00452    321.60159    319.35599    315.16054 
   304.79752    287.88741    279.28202    270.81290    266.13758    263.41172 
   258.53178    253.69783    242.71493    237.83537    235.65208    228.70479 
   222.05856    213.07007    211.81502    208.17809    203.32089    197.99513 
   195.49641    191.59947    185.22673    176.22621    171.28748    167.69543 
   165.50427    159.85002    153.57336    150.97804    149.13063    143.03390 
   136.97221    135.41876    130.82584    127.72549    126.05945    125.39704 
   119.56801    117.98673    116.83132    111.63193    108.80557    105.05754 
   102.97489     99.97254     96.62832     95.12197     91.77635     90.52165 
    89.60081     84.72985     80.90919     79.56178     78.42713     72.73742 
    71.80594     68.33248     67.65454     63.37323     61.05421     59.66185 
    58.94572     55.94642     53.15492     52.22901     50.20478     47.84401 
    43.07962     40.16381     37.06483     35.73545     35.63969     28.87238 
    28.73755     28.26511     22.93577     21.84283     19.95607     16.82020 
    13.77022     12.30575      9.98485      9.58698      7.52512      4.61042 
overlap for current and previous eigenvector    109 is         0.9999992837
overlap for current and previous eigenvector    110 is         0.9999991833
overlap for current and previous eigenvector    111 is         0.9998853749
overlap for current and previous eigenvector    112 is         0.9998856187
overlap for current and previous eigenvector    113 is         0.9999970750
overlap for current and previous eigenvector    114 is         0.9999996384
J1,K1,R1,R2,RAT=   7   7   -0.1232358152E-01     2.012156986        0.9876764185    
FOB,PFOB,DIAG,PSTEP=   -0.1822165374E-05   -0.1799981309E-05     727.7323442        0.2473617217E-08
J1,K1,R1,R2,RAT=   8   8   -0.7081993071E-03     2.000670138        0.9992918007    
FOB,PFOB,DIAG,PSTEP=   -0.2931356230E-05   -0.2929281675E-05     672.6234723        0.4355092474E-08
J1,K1,R1,R2,RAT=   9   9    0.2168258271E-01     1.978271914        0.9782719137    
FOB,PFOB,DIAG,PSTEP=    0.5541571706E-06    0.5664393174E-06     625.7714993       -0.9052061428E-09
J1,K1,R1,R2,RAT=  10  10   -0.9974291047E-02     2.009973392        0.9900257090    
FOB,PFOB,DIAG,PSTEP=    0.1684416745E-05    0.1667781796E-05     604.5108151       -0.2758896126E-08
J1,K1,R1,R2,RAT=  11  11   -0.4479939216E-03     2.000472802        0.9995520061    
FOB,PFOB,DIAG,PSTEP=   -0.1097318423E-05   -0.1096827057E-05     589.0940939        0.1861864621E-08
J1,K1,R1,R2,RAT= 109 109   -0.1662065832E-02     2.001669636        0.9983379342    
FOB,PFOB,DIAG,PSTEP=   -0.7822115898E-04   -0.7809136647E-04     13.77021686        0.5671012423E-05
J1,K1,R1,R2,RAT= 110 110   -0.2859899532         19.75975526        0.7140100468    
FOB,PFOB,DIAG,PSTEP=    0.1233389169E-02    0.1198195974E-02     12.30574524       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5961568253         75.34287684        0.4038431747    
FOB,PFOB,DIAG,PSTEP=    0.3791198351E-02    0.3731673001E-02     9.984847497       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4603110917E-01     2.054320449        0.9539688908    
FOB,PFOB,DIAG,PSTEP=    0.1006800942E-03    0.9626710307E-04     9.586975457       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9182557477         302.6806298        0.8174425226E-01
FOB,PFOB,DIAG,PSTEP=   -0.1365966269E-01   -0.1357703351E-01     7.525122370        0.1195793618E-04
J1,K1,R1,R2,RAT= 114 114    0.9967879241        -530.3811052        0.3212075878E-02
FOB,PFOB,DIAG,PSTEP=    0.4899749862        0.4881367420         4.610419369        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000      0.00002 
     0.00002     -0.00003      0.00002     -0.00001     -0.00000     -0.00002 
    -0.00000     -0.00001      0.00000      0.00002     -0.00000      0.00004 
     0.00002     -0.00003     -0.00004     -0.00003      0.00006      0.00000 
     0.00002      0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004      0.00002      0.00003     -0.00000      0.00004     -0.00002 
    -0.00000      0.00005     -0.00004     -0.00003     -0.00003      0.00001 
    -0.00003     -0.00003     -0.00009     -0.00012     -0.00000     -0.00008 
    -0.00002      0.00005     -0.00004      0.00000     -0.00012     -0.00004 
    -0.00008      0.00123      0.00379      0.00010     -0.01366      0.48997 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4363279676
 Log product of positive Hessian eigenvalues =          520.1262257703
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6104193692
 Unscaled step for mode    7=        0.0000000025
 Unscaled step for mode    8=        0.0000000044
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000027
 Unscaled step for mode   13=        0.0000000045
 Unscaled step for mode   14=        0.0000000097
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000083
 Unscaled step for mode   17=       -0.0000000071
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000292
 Unscaled step for mode   20=       -0.0000000216
 Unscaled step for mode   21=       -0.0000000178
 Unscaled step for mode   22=       -0.0000000092
 Unscaled step for mode   23=        0.0000000018
 Unscaled step for mode   24=       -0.0000000015
 Unscaled step for mode   25=        0.0000000430
 Unscaled step for mode   26=        0.0000000742
 Unscaled step for mode   27=        0.0000000382
 Unscaled step for mode   28=       -0.0000000115
 Unscaled step for mode   29=       -0.0000000049
 Unscaled step for mode   30=        0.0000000667
 Unscaled step for mode   31=        0.0000000250
 Unscaled step for mode   32=        0.0000000118
 Unscaled step for mode   33=       -0.0000000302
 Unscaled step for mode   34=       -0.0000000199
 Unscaled step for mode   35=       -0.0000000801
 Unscaled step for mode   36=       -0.0000000362
 Unscaled step for mode   37=        0.0000000474
 Unscaled step for mode   38=        0.0000000138
 Unscaled step for mode   39=        0.0000000647
 Unscaled step for mode   40=       -0.0000000361
 Unscaled step for mode   41=        0.0000000961
 Unscaled step for mode   42=        0.0000000300
 Unscaled step for mode   43=       -0.0000000327
 Unscaled step for mode   44=        0.0000000643
 Unscaled step for mode   45=       -0.0000000117
 Unscaled step for mode   46=       -0.0000000703
 Unscaled step for mode   47=        0.0000001251
 Unscaled step for mode   48=       -0.0000000100
 Unscaled step for mode   49=        0.0000000858
 Unscaled step for mode   50=        0.0000000449
 Unscaled step for mode   51=        0.0000000598
 Unscaled step for mode   52=        0.0000000045
 Unscaled step for mode   53=        0.0000000545
 Unscaled step for mode   54=       -0.0000000565
 Unscaled step for mode   55=        0.0000001063
 Unscaled step for mode   56=        0.0000000362
 Unscaled step for mode   57=        0.0000000335
 Unscaled step for mode   58=       -0.0000001159
 Unscaled step for mode   59=       -0.0000000318
 Unscaled step for mode   60=       -0.0000001157
 Unscaled step for mode   61=       -0.0000001150
 Unscaled step for mode   62=        0.0000002215
 Unscaled step for mode   63=       -0.0000001580
 Unscaled step for mode   64=        0.0000000980
 Unscaled step for mode   65=        0.0000000079
 Unscaled step for mode   66=        0.0000001924
 Unscaled step for mode   67=        0.0000000253
 Unscaled step for mode   68=        0.0000000643
 Unscaled step for mode   69=       -0.0000000257
 Unscaled step for mode   70=       -0.0000001594
 Unscaled step for mode   71=        0.0000000286
 Unscaled step for mode   72=       -0.0000003609
 Unscaled step for mode   73=       -0.0000001853
 Unscaled step for mode   74=        0.0000002944
 Unscaled step for mode   75=        0.0000004141
 Unscaled step for mode   76=        0.0000002971
 Unscaled step for mode   77=       -0.0000006363
 Unscaled step for mode   78=       -0.0000000132
 Unscaled step for mode   79=       -0.0000002598
 Unscaled step for mode   80=       -0.0000002010
 Unscaled step for mode   81=        0.0000002077
 Unscaled step for mode   82=       -0.0000001250
 Unscaled step for mode   83=       -0.0000001647
 Unscaled step for mode   84=       -0.0000003664
 Unscaled step for mode   85=        0.0000005226
 Unscaled step for mode   86=       -0.0000003339
 Unscaled step for mode   87=       -0.0000004684
 Unscaled step for mode   88=        0.0000000006
 Unscaled step for mode   89=       -0.0000007228
 Unscaled step for mode   90=        0.0000003595
 Unscaled step for mode   91=        0.0000000118
 Unscaled step for mode   92=       -0.0000009424
 Unscaled step for mode   93=        0.0000007226
 Unscaled step for mode   94=        0.0000006619
 Unscaled step for mode   95=        0.0000006473
 Unscaled step for mode   96=       -0.0000002281
 Unscaled step for mode   97=        0.0000007855
 Unscaled step for mode   98=        0.0000006964
 Unscaled step for mode   99=        0.0000025059
 Unscaled step for mode  100=        0.0000032762
 Unscaled step for mode  101=        0.0000000570
 Unscaled step for mode  102=        0.0000027913
 Unscaled step for mode  103=        0.0000008440
 Unscaled step for mode  104=       -0.0000019044
 Unscaled step for mode  105=        0.0000018659
 Unscaled step for mode  106=       -0.0000001926
 Unscaled step for mode  107=        0.0000062355
 Unscaled step for mode  108=        0.0000023875
 Unscaled step for mode  109=        0.0000056805
 Unscaled step for mode  110=       -0.0001002287
 Unscaled step for mode  111=       -0.0003796951
 Unscaled step for mode  112=       -0.0000105018
 Unscaled step for mode  113=        0.0018152021
 Unscaled step for mode  114=        0.1051016213
 Largest modulus ratio of non-zero e/values=           157.8451516    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.383808E-16    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.145760E-14    0.100735E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.936159E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.455744E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.414599E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.671392E-16    0.973742E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.182217E-05    0.727732E+03  0.250389E-08 0.100000E-04    0.987676E+00
   8   -0.293136E-05    0.672623E+03  0.435809E-08 0.100000E-04    0.999292E+00
   9    0.554157E-06    0.625771E+03 -0.885558E-09 0.100000E-04    0.978272E+00
  10    0.168442E-05    0.604511E+03 -0.278641E-08 0.100000E-04    0.990026E+00
  11   -0.109732E-05    0.589094E+03  0.186272E-08 0.100000E-04    0.999552E+00
  12    0.152170E-05    0.567611E+03 -0.268089E-08 0.100000E-04    0.977813E+00
  13   -0.256843E-05    0.565981E+03  0.453802E-08 0.100000E-04    0.998979E+00
  14   -0.466312E-05    0.480731E+03  0.970006E-08 0.100000E-04    0.997029E+00
  15    0.180056E-05    0.467182E+03 -0.385408E-08 0.100000E-04    0.991708E+00
  16    0.384380E-05    0.462007E+03 -0.831979E-08 0.100000E-04    0.992311E+00
  17    0.312463E-05    0.441329E+03 -0.708005E-08 0.100000E-04    0.991979E+00
  18    0.451305E-05    0.430413E+03 -0.104854E-07 0.100000E-04    0.998572E+00
  19   -0.122982E-04    0.421361E+03  0.291869E-07 0.100000E-04    0.995761E+00
  20    0.877785E-05    0.407149E+03 -0.215593E-07 0.100000E-04    0.999844E+00
  21    0.708324E-05    0.397835E+03 -0.178045E-07 0.100000E-04    0.997794E+00
  22    0.357869E-05    0.388813E+03 -0.920413E-08 0.100000E-04    0.986401E+00
  23   -0.672875E-06    0.367360E+03  0.183165E-08 0.100000E-04    0.988078E+00
  24    0.540951E-06    0.362588E+03 -0.149192E-08 0.100000E-04    0.949956E+00
  25   -0.151091E-04    0.351530E+03  0.429808E-07 0.100000E-04    0.996645E+00
  26   -0.251320E-04    0.338527E+03  0.742393E-07 0.100000E-04    0.995645E+00
  27   -0.124164E-04    0.325005E+03  0.382038E-07 0.100000E-04    0.996648E+00
  28    0.369889E-05    0.321602E+03 -0.115015E-07 0.100000E-04    0.970763E+00
  29    0.156513E-05    0.319356E+03 -0.490090E-08 0.100000E-04    0.957091E+00
  30   -0.210282E-04    0.315161E+03  0.667223E-07 0.100000E-04    0.997916E+00
  31   -0.763036E-05    0.304798E+03  0.250342E-07 0.100000E-04    0.994272E+00
  32   -0.340130E-05    0.287887E+03  0.118147E-07 0.100000E-04    0.986549E+00
  33    0.842925E-05    0.279282E+03 -0.301819E-07 0.100000E-04    0.993124E+00
  34    0.539925E-05    0.270813E+03 -0.199372E-07 0.100000E-04    0.989826E+00
  35    0.213258E-04    0.266138E+03 -0.801306E-07 0.100000E-04    0.998432E+00
  36    0.953229E-05    0.263412E+03 -0.361878E-07 0.100000E-04    0.991079E+00
  37   -0.122605E-04    0.258532E+03  0.474234E-07 0.100000E-04    0.995047E+00
  38   -0.349510E-05    0.253698E+03  0.137766E-07 0.100000E-04    0.994105E+00
  39   -0.157152E-04    0.242715E+03  0.647476E-07 0.100000E-04    0.996539E+00
  40    0.857474E-05    0.237835E+03 -0.360533E-07 0.100000E-04    0.986466E+00
  41   -0.226457E-04    0.235652E+03  0.960980E-07 0.100000E-04    0.990203E+00
  42   -0.687168E-05    0.228705E+03  0.300461E-07 0.100000E-04    0.993567E+00
  43    0.726746E-05    0.222059E+03 -0.327277E-07 0.100000E-04    0.993424E+00
  44   -0.137090E-04    0.213070E+03  0.643405E-07 0.100000E-04    0.994510E+00
  45    0.248231E-05    0.211815E+03 -0.117192E-07 0.100000E-04    0.991345E+00
  46    0.146453E-04    0.208178E+03 -0.703500E-07 0.100000E-04    0.995140E+00
  47   -0.254404E-04    0.203321E+03  0.125124E-06 0.100000E-04    0.997767E+00
  48    0.197417E-05    0.197995E+03 -0.997082E-08 0.100000E-04    0.988035E+00
  49   -0.167772E-04    0.195496E+03  0.858185E-07 0.100000E-04    0.996756E+00
  50   -0.860202E-05    0.191599E+03  0.448959E-07 0.100000E-04    0.991856E+00
  51   -0.110696E-04    0.185227E+03  0.597622E-07 0.100000E-04    0.997670E+00
  52   -0.786873E-06    0.176226E+03  0.446513E-08 0.100000E-04    0.992622E+00
  53   -0.932773E-05    0.171287E+03  0.544566E-07 0.100000E-04    0.997097E+00
  54    0.946694E-05    0.167695E+03 -0.564532E-07 0.100000E-04    0.994782E+00
  55   -0.175927E-04    0.165504E+03  0.106298E-06 0.100000E-04    0.998038E+00
  56   -0.579218E-05    0.159850E+03  0.362351E-07 0.100000E-04    0.993164E+00
  57   -0.513857E-05    0.153573E+03  0.334600E-07 0.100000E-04    0.993626E+00
  58    0.174954E-04    0.150978E+03 -0.115880E-06 0.100000E-04    0.995090E+00
  59    0.474222E-05    0.149131E+03 -0.317991E-07 0.100000E-04    0.982117E+00
  60    0.165518E-04    0.143034E+03 -0.115719E-06 0.100000E-04    0.998714E+00
  61    0.157515E-04    0.136972E+03 -0.114998E-06 0.100000E-04    0.991768E+00
  62   -0.299985E-04    0.135419E+03  0.221524E-06 0.100000E-04    0.997561E+00
  63    0.206685E-04    0.130826E+03 -0.157985E-06 0.100000E-04    0.995585E+00
  64   -0.125184E-04    0.127725E+03  0.980098E-07 0.100000E-04    0.991796E+00
  65   -0.990801E-06    0.126059E+03  0.785979E-08 0.100000E-04    0.921678E+00
  66   -0.241295E-04    0.125397E+03  0.192425E-06 0.100000E-04    0.995880E+00
  67   -0.302339E-05    0.119568E+03  0.252859E-07 0.100000E-04    0.999139E+00
  68   -0.758968E-05    0.117987E+03  0.643266E-07 0.100000E-04    0.995334E+00
  69    0.300406E-05    0.116831E+03 -0.257128E-07 0.100000E-04    0.984913E+00
  70    0.177950E-04    0.111632E+03 -0.159408E-06 0.100000E-04    0.996764E+00
  71   -0.311081E-05    0.108806E+03  0.285906E-07 0.100000E-04    0.987823E+00
  72    0.379171E-04    0.105058E+03 -0.360918E-06 0.100000E-04    0.993276E+00
  73    0.190768E-04    0.102975E+03 -0.185257E-06 0.100000E-04    0.995164E+00
  74   -0.294282E-04    0.999725E+02  0.294362E-06 0.100000E-04    0.997449E+00
  75   -0.400142E-04    0.966283E+02  0.414104E-06 0.100000E-04    0.993221E+00
  76   -0.282616E-04    0.951220E+02  0.297109E-06 0.100000E-04    0.999773E+00
  77    0.583974E-04    0.917763E+02 -0.636301E-06 0.100000E-04    0.998562E+00
  78    0.119471E-05    0.905217E+02 -0.131980E-07 0.100000E-04    0.973677E+00
  79    0.232763E-04    0.896008E+02 -0.259777E-06 0.100000E-04    0.995636E+00
  80    0.170278E-04    0.847299E+02 -0.200966E-06 0.100000E-04    0.997877E+00
  81   -0.168066E-04    0.809092E+02  0.207722E-06 0.100000E-04    0.995673E+00
  82    0.994447E-05    0.795618E+02 -0.124991E-06 0.100000E-04    0.993980E+00
  83    0.129146E-04    0.784271E+02 -0.164670E-06 0.100000E-04    0.998296E+00
  84    0.266498E-04    0.727374E+02 -0.366383E-06 0.100000E-04    0.992835E+00
  85   -0.375265E-04    0.718059E+02  0.522611E-06 0.100000E-04    0.995279E+00
  86    0.228178E-04    0.683325E+02 -0.333923E-06 0.100000E-04    0.984497E+00
  87    0.316907E-04    0.676545E+02 -0.468419E-06 0.100000E-04    0.989966E+00
  88   -0.407081E-07    0.633732E+02  0.642355E-09 0.100000E-04    0.653748E+00
  89    0.441302E-04    0.610542E+02 -0.722803E-06 0.100000E-04    0.996367E+00
  90   -0.214475E-04    0.596618E+02  0.359485E-06 0.100000E-04    0.991415E+00
  91   -0.698131E-06    0.589457E+02  0.118436E-07 0.100000E-04    0.995091E+00
  92    0.527249E-04    0.559464E+02 -0.942418E-06 0.100000E-04    0.998413E+00
  93   -0.384072E-04    0.531549E+02  0.722552E-06 0.100000E-04    0.998359E+00
  94   -0.345702E-04    0.522290E+02  0.661897E-06 0.100000E-04    0.993561E+00
  95   -0.324970E-04    0.502048E+02  0.647289E-06 0.100000E-04    0.999132E+00
  96    0.109127E-04    0.478440E+02 -0.228090E-06 0.100000E-04    0.994125E+00
  97   -0.338376E-04    0.430796E+02  0.785467E-06 0.100000E-04    0.994763E+00
  98   -0.279720E-04    0.401638E+02  0.696447E-06 0.100000E-04    0.994394E+00
  99   -0.928795E-04    0.370648E+02  0.250587E-05 0.100000E-04    0.993113E+00
 100   -0.117076E-03    0.357355E+02  0.327619E-05 0.100000E-04    0.998948E+00
 101   -0.203243E-05    0.356397E+02  0.570272E-07 0.100000E-04    0.881152E+00
 102   -0.805902E-04    0.288724E+02  0.279126E-05 0.100000E-04    0.994301E+00
 103   -0.242551E-04    0.287376E+02  0.844022E-06 0.100000E-04    0.989465E+00
 104    0.538286E-04    0.282651E+02 -0.190442E-05 0.100000E-04    0.988530E+00
 105   -0.427957E-04    0.229358E+02  0.186589E-05 0.100000E-04    0.996618E+00
 106    0.420677E-05    0.218428E+02 -0.192593E-06 0.100000E-04    0.834362E+00
 107   -0.124436E-03    0.199561E+02  0.623548E-05 0.100000E-04    0.998165E+00
 108   -0.401580E-04    0.168202E+02  0.238748E-05 0.100000E-04    0.984364E+00
 109   -0.782212E-04    0.137702E+02  0.568046E-05 0.100000E-04    0.998338E+00
 110    0.123339E-02    0.123057E+02 -0.100000E-04 0.100000E-04    0.714010E+00
 111    0.379120E-02    0.998485E+01 -0.100000E-04 0.100000E-04    0.403843E+00
 112    0.100680E-03    0.958698E+01 -0.100000E-04 0.100000E-04    0.953969E+00
 113   -0.136597E-01    0.752512E+01  0.130342E-04 0.130342E-04    0.817443E-01
 114    0.489975E+00    0.461042E+01  0.400000E-03 0.400000E-03    0.321208E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1051016213    

 Beginning of optimization cycle  238.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3775502095
 potential> RMS force:                                               0.0460819379   |gradient|=.4920204565    
 Eigenvalues of the Hessian matrix:
   727.79297    672.63612    625.78569    604.51108    589.08666    567.64977 
   565.99740    480.75314    467.15896    461.99873    441.32883    430.40419 
   421.36688    407.15904    397.83066    388.81484    367.36458    362.57844 
   351.52275    338.49607    325.01242    321.59965    319.36920    315.13228 
   304.79089    287.89338    279.27638    270.80973    266.14403    263.42169 
   258.54068    253.70058    242.70893    237.82867    235.65633    228.70436 
   222.03853    213.07670    211.81967    208.16644    203.32396    197.99092 
   195.49525    191.59915    185.21649    176.21269    171.29354    167.69200 
   165.50106    159.84233    153.57617    150.97944    149.12958    143.03671 
   136.97294    135.42397    130.82414    127.72756    126.05972    125.40150 
   119.56974    117.98738    116.83384    111.62478    108.79464    105.05403 
   102.97652     99.96953     96.62047     95.12162     91.78766     90.51699 
    89.60810     84.73251     80.90942     79.56476     78.42538     72.73670 
    71.80980     68.33047     67.64596     63.37251     61.04408     59.66220 
    58.94777     55.94772     53.15051     52.22914     50.20338     47.84185 
    43.07641     40.16596     37.06741     35.74160     35.63035     28.87151 
    28.73705     28.25684     22.93449     21.83985     19.96061     16.82044 
    13.77017     12.30465      9.97679      9.58504      7.52294      4.60721 
overlap for current and previous eigenvector    109 is         0.9999992901
overlap for current and previous eigenvector    110 is        -0.9999991909
overlap for current and previous eigenvector    111 is        -0.9998786552
overlap for current and previous eigenvector    112 is         0.9998787981
overlap for current and previous eigenvector    113 is         0.9999970324
overlap for current and previous eigenvector    114 is         0.9999996386
J1,K1,R1,R2,RAT=   7   7   -0.1125577899E-01     2.011089190        0.9887442210    
FOB,PFOB,DIAG,PSTEP=   -0.1842676973E-05   -0.1822165374E-05     727.7929653        0.2503894994E-08
J1,K1,R1,R2,RAT=   8   8   -0.1068064404E-01     2.010643029        0.9893193560    
FOB,PFOB,DIAG,PSTEP=   -0.2962665591E-05   -0.2931356230E-05     672.6361230        0.4358093868E-08
J1,K1,R1,R2,RAT=   9   9    0.7250840488E-02     1.992703818        0.9927038185    
FOB,PFOB,DIAG,PSTEP=    0.5501389742E-06    0.5541571706E-06     625.7856862       -0.8855583407E-09
J1,K1,R1,R2,RAT=  10  10    0.5330705290E-02     1.994668416        0.9946684164    
FOB,PFOB,DIAG,PSTEP=    0.1675437611E-05    0.1684416745E-05     604.5110806       -0.2786412919E-08
J1,K1,R1,R2,RAT=  11  11    0.1410825452E-02     1.998614415        0.9985891745    
FOB,PFOB,DIAG,PSTEP=   -0.1095770317E-05   -0.1097318423E-05     589.0866596        0.1862721820E-08
J1,K1,R1,R2,RAT= 109 109   -0.1241995216E-02     2.001248593        0.9987580048    
FOB,PFOB,DIAG,PSTEP=   -0.7831830896E-04   -0.7822115898E-04     13.77017144        0.5680459483E-05
J1,K1,R1,R2,RAT= 110 110     20.33327472       -0.2857445668        0.7142554332    
FOB,PFOB,DIAG,PSTEP=   -0.1268549037E-02    0.1233389169E-02     12.30464959       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     76.60355723       -0.6031762685        0.3968237315    
FOB,PFOB,DIAG,PSTEP=   -0.3851375967E-02    0.3791198351E-02     9.976787756       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.1078832822         2.208659964        0.8921167178    
FOB,PFOB,DIAG,PSTEP=    0.1110207450E-03    0.1006800942E-03     9.585035388       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7679530518         279.3798008        0.2320469482    
FOB,PFOB,DIAG,PSTEP=   -0.1373496444E-01   -0.1365966269E-01     7.522941093        0.1303415044E-04
J1,K1,R1,R2,RAT= 114 114    0.9967553616        -532.7451572        0.3244638449E-02
FOB,PFOB,DIAG,PSTEP=    0.4918118895        0.4899749862         4.607206946        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000      0.00002 
     0.00002      0.00003      0.00002     -0.00001     -0.00000     -0.00002 
     0.00000      0.00001      0.00000      0.00002     -0.00000      0.00004 
     0.00002     -0.00003      0.00004     -0.00003      0.00006     -0.00000 
    -0.00002     -0.00002      0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004      0.00002     -0.00003      0.00000      0.00004     -0.00002 
    -0.00000      0.00005     -0.00004     -0.00003      0.00003      0.00001 
    -0.00003     -0.00003     -0.00009     -0.00012      0.00000     -0.00008 
    -0.00002      0.00005     -0.00004      0.00000     -0.00012     -0.00004 
    -0.00008     -0.00127     -0.00385      0.00011     -0.01373      0.49181 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4362521910
 Log product of positive Hessian eigenvalues =          520.1232866960
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6072069464
 Unscaled step for mode    7=        0.0000000025
 Unscaled step for mode    8=        0.0000000044
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000026
 Unscaled step for mode   13=        0.0000000046
 Unscaled step for mode   14=        0.0000000096
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000084
 Unscaled step for mode   17=       -0.0000000071
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000293
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000178
 Unscaled step for mode   22=       -0.0000000093
 Unscaled step for mode   23=        0.0000000018
 Unscaled step for mode   24=       -0.0000000014
 Unscaled step for mode   25=        0.0000000431
 Unscaled step for mode   26=        0.0000000745
 Unscaled step for mode   27=        0.0000000384
 Unscaled step for mode   28=       -0.0000000118
 Unscaled step for mode   29=       -0.0000000050
 Unscaled step for mode   30=        0.0000000670
 Unscaled step for mode   31=        0.0000000253
 Unscaled step for mode   32=        0.0000000119
 Unscaled step for mode   33=       -0.0000000303
 Unscaled step for mode   34=       -0.0000000201
 Unscaled step for mode   35=       -0.0000000804
 Unscaled step for mode   36=       -0.0000000365
 Unscaled step for mode   37=        0.0000000477
 Unscaled step for mode   38=        0.0000000138
 Unscaled step for mode   39=        0.0000000649
 Unscaled step for mode   40=       -0.0000000356
 Unscaled step for mode   41=        0.0000000971
 Unscaled step for mode   42=        0.0000000303
 Unscaled step for mode   43=       -0.0000000331
 Unscaled step for mode   44=        0.0000000650
 Unscaled step for mode   45=       -0.0000000115
 Unscaled step for mode   46=       -0.0000000708
 Unscaled step for mode   47=        0.0000001256
 Unscaled step for mode   48=       -0.0000000101
 Unscaled step for mode   49=        0.0000000864
 Unscaled step for mode   50=        0.0000000447
 Unscaled step for mode   51=        0.0000000601
 Unscaled step for mode   52=        0.0000000046
 Unscaled step for mode   53=        0.0000000546
 Unscaled step for mode   54=       -0.0000000570
 Unscaled step for mode   55=        0.0000001066
 Unscaled step for mode   56=        0.0000000362
 Unscaled step for mode   57=        0.0000000337
 Unscaled step for mode   58=       -0.0000001164
 Unscaled step for mode   59=       -0.0000000315
 Unscaled step for mode   60=       -0.0000001163
 Unscaled step for mode   61=       -0.0000001155
 Unscaled step for mode   62=       -0.0000002217
 Unscaled step for mode   63=       -0.0000001580
 Unscaled step for mode   64=        0.0000000990
 Unscaled step for mode   65=        0.0000000082
 Unscaled step for mode   66=        0.0000001927
 Unscaled step for mode   67=       -0.0000000258
 Unscaled step for mode   68=       -0.0000000645
 Unscaled step for mode   69=       -0.0000000258
 Unscaled step for mode   70=       -0.0000001606
 Unscaled step for mode   71=        0.0000000289
 Unscaled step for mode   72=       -0.0000003624
 Unscaled step for mode   73=       -0.0000001863
 Unscaled step for mode   74=        0.0000002943
 Unscaled step for mode   75=       -0.0000004173
 Unscaled step for mode   76=        0.0000002973
 Unscaled step for mode   77=       -0.0000006378
 Unscaled step for mode   78=        0.0000000127
 Unscaled step for mode   79=        0.0000002574
 Unscaled step for mode   80=        0.0000002018
 Unscaled step for mode   81=       -0.0000002084
 Unscaled step for mode   82=        0.0000001233
 Unscaled step for mode   83=        0.0000001656
 Unscaled step for mode   84=        0.0000003676
 Unscaled step for mode   85=        0.0000005231
 Unscaled step for mode   86=       -0.0000003281
 Unscaled step for mode   87=        0.0000004731
 Unscaled step for mode   88=       -0.0000000004
 Unscaled step for mode   89=       -0.0000007248
 Unscaled step for mode   90=        0.0000003595
 Unscaled step for mode   91=        0.0000000117
 Unscaled step for mode   92=       -0.0000009454
 Unscaled step for mode   93=        0.0000007207
 Unscaled step for mode   94=        0.0000006637
 Unscaled step for mode   95=       -0.0000006450
 Unscaled step for mode   96=       -0.0000002289
 Unscaled step for mode   97=        0.0000007855
 Unscaled step for mode   98=        0.0000006995
 Unscaled step for mode   99=        0.0000025127
 Unscaled step for mode  100=        0.0000032719
 Unscaled step for mode  101=       -0.0000000530
 Unscaled step for mode  102=        0.0000027982
 Unscaled step for mode  103=        0.0000008293
 Unscaled step for mode  104=       -0.0000019108
 Unscaled step for mode  105=        0.0000018717
 Unscaled step for mode  106=       -0.0000001804
 Unscaled step for mode  107=        0.0000062276
 Unscaled step for mode  108=        0.0000023752
 Unscaled step for mode  109=        0.0000056875
 Unscaled step for mode  110=        0.0001030951
 Unscaled step for mode  111=        0.0003860336
 Unscaled step for mode  112=       -0.0000115827
 Unscaled step for mode  113=        0.0018257379
 Unscaled step for mode  114=        0.1055589189
 Largest modulus ratio of non-zero e/values=           157.9683686    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.210986E-15    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.138171E-14    0.100735E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.451589E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.302276E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.193476E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.666920E-15    0.973743E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.184268E-05    0.727793E+03  0.253187E-08 0.100000E-04    0.988744E+00
   8   -0.296267E-05    0.672636E+03  0.440456E-08 0.100000E-04    0.989319E+00
   9    0.550139E-06    0.625786E+03 -0.879117E-09 0.100000E-04    0.992704E+00
  10    0.167544E-05    0.604511E+03 -0.277156E-08 0.100000E-04    0.994668E+00
  11   -0.109577E-05    0.589087E+03  0.186012E-08 0.100000E-04    0.998589E+00
  12    0.146915E-05    0.567650E+03 -0.258813E-08 0.100000E-04    0.965331E+00
  13   -0.260331E-05    0.565997E+03  0.459952E-08 0.100000E-04    0.986420E+00
  14   -0.463077E-05    0.480753E+03  0.963233E-08 0.100000E-04    0.992971E+00
  15    0.180650E-05    0.467159E+03 -0.386699E-08 0.100000E-04    0.996700E+00
  16    0.386143E-05    0.461999E+03 -0.835809E-08 0.100000E-04    0.995415E+00
  17    0.312882E-05    0.441329E+03 -0.708954E-08 0.100000E-04    0.998659E+00
  18    0.451914E-05    0.430404E+03 -0.104998E-07 0.100000E-04    0.998651E+00
  19   -0.123331E-04    0.421367E+03  0.292694E-07 0.100000E-04    0.997161E+00
  20    0.876012E-05    0.407159E+03 -0.215152E-07 0.100000E-04    0.997931E+00
  21    0.708375E-05    0.397831E+03 -0.178060E-07 0.100000E-04    0.999927E+00
  22    0.361590E-05    0.388815E+03 -0.929981E-08 0.100000E-04    0.989602E+00
  23   -0.648673E-06    0.367365E+03  0.176575E-08 0.100000E-04    0.964008E+00
  24    0.521508E-06    0.362578E+03 -0.143833E-08 0.100000E-04    0.964058E+00
  25   -0.151602E-04    0.351523E+03  0.431272E-07 0.100000E-04    0.996615E+00
  26   -0.252214E-04    0.338496E+03  0.745101E-07 0.100000E-04    0.996444E+00
  27   -0.124715E-04    0.325012E+03  0.383724E-07 0.100000E-04    0.995563E+00
  28    0.380005E-05    0.321600E+03 -0.118161E-07 0.100000E-04    0.972651E+00
  29    0.160286E-05    0.319369E+03 -0.501884E-08 0.100000E-04    0.975893E+00
  30   -0.211118E-04    0.315132E+03  0.669936E-07 0.100000E-04    0.996025E+00
  31   -0.770503E-05    0.304791E+03  0.252797E-07 0.100000E-04    0.990214E+00
  32   -0.342867E-05    0.287893E+03  0.119095E-07 0.100000E-04    0.991954E+00
  33    0.845183E-05    0.279276E+03 -0.302633E-07 0.100000E-04    0.997321E+00
  34    0.543108E-05    0.270810E+03 -0.200550E-07 0.100000E-04    0.994106E+00
  35    0.213929E-04    0.266144E+03 -0.803809E-07 0.100000E-04    0.996853E+00
  36    0.962270E-05    0.263422E+03 -0.365296E-07 0.100000E-04    0.990516E+00
  37   -0.123199E-04    0.258541E+03  0.476515E-07 0.100000E-04    0.995155E+00
  38   -0.348972E-05    0.253701E+03  0.137553E-07 0.100000E-04    0.998441E+00
  39   -0.157480E-04    0.242709E+03  0.648845E-07 0.100000E-04    0.997910E+00
  40    0.846940E-05    0.237829E+03 -0.356113E-07 0.100000E-04    0.987714E+00
  41   -0.228737E-04    0.235656E+03  0.970639E-07 0.100000E-04    0.989931E+00
  42   -0.692696E-05    0.228704E+03  0.302878E-07 0.100000E-04    0.991956E+00
  43    0.734140E-05    0.222039E+03 -0.330636E-07 0.100000E-04    0.989825E+00
  44   -0.138512E-04    0.213077E+03  0.650057E-07 0.100000E-04    0.989629E+00
  45    0.242814E-05    0.211820E+03 -0.114632E-07 0.100000E-04    0.978134E+00
  46    0.147461E-04    0.208166E+03 -0.708382E-07 0.100000E-04    0.993116E+00
  47   -0.255420E-04    0.203324E+03  0.125622E-06 0.100000E-04    0.996004E+00
  48    0.199870E-05    0.197991E+03 -0.100949E-07 0.100000E-04    0.987574E+00
  49   -0.168837E-04    0.195495E+03  0.863635E-07 0.100000E-04    0.993654E+00
  50   -0.857239E-05    0.191599E+03  0.447413E-07 0.100000E-04    0.996556E+00
  51   -0.111396E-04    0.185216E+03  0.601436E-07 0.100000E-04    0.993673E+00
  52   -0.814231E-06    0.176213E+03  0.462073E-08 0.100000E-04    0.965229E+00
  53   -0.935865E-05    0.171294E+03  0.546352E-07 0.100000E-04    0.996686E+00
  54    0.955621E-05    0.167692E+03 -0.569867E-07 0.100000E-04    0.990570E+00
  55   -0.176387E-04    0.165501E+03  0.106578E-06 0.100000E-04    0.997385E+00
  56   -0.579333E-05    0.159842E+03  0.362440E-07 0.100000E-04    0.999803E+00
  57   -0.517519E-05    0.153576E+03  0.336979E-07 0.100000E-04    0.992873E+00
  58    0.175771E-04    0.150979E+03 -0.116420E-06 0.100000E-04    0.995330E+00
  59    0.470136E-05    0.149130E+03 -0.315253E-07 0.100000E-04    0.991382E+00
  60    0.166292E-04    0.143037E+03 -0.116258E-06 0.100000E-04    0.995323E+00
  61    0.158223E-04    0.136973E+03 -0.115514E-06 0.100000E-04    0.995505E+00
  62    0.300212E-04    0.135424E+03 -0.221683E-06 0.100000E-04    0.999241E+00
  63    0.206764E-04    0.130824E+03 -0.158048E-06 0.100000E-04    0.999618E+00
  64   -0.126453E-04    0.127728E+03  0.990024E-07 0.100000E-04    0.989857E+00
  65   -0.103688E-05    0.126060E+03  0.822527E-08 0.100000E-04    0.953499E+00
  66   -0.241593E-04    0.125401E+03  0.192655E-06 0.100000E-04    0.998767E+00
  67    0.308375E-05    0.119570E+03 -0.257904E-07 0.100000E-04    0.980036E+00
  68    0.760502E-05    0.117987E+03 -0.644562E-07 0.100000E-04    0.997979E+00
  69    0.301699E-05    0.116834E+03 -0.258229E-07 0.100000E-04    0.995697E+00
  70    0.179222E-04    0.111625E+03 -0.160558E-06 0.100000E-04    0.992852E+00
  71   -0.314230E-05    0.108795E+03  0.288829E-07 0.100000E-04    0.989876E+00
  72    0.380762E-04    0.105054E+03 -0.362444E-06 0.100000E-04    0.995805E+00
  73    0.191803E-04    0.102977E+03 -0.186259E-06 0.100000E-04    0.994576E+00
  74   -0.294161E-04    0.999695E+02  0.294251E-06 0.100000E-04    0.999592E+00
  75    0.403193E-04    0.966205E+02 -0.417296E-06 0.100000E-04    0.992374E+00
  76   -0.282833E-04    0.951216E+02  0.297338E-06 0.100000E-04    0.999232E+00
  77    0.585402E-04    0.917877E+02 -0.637778E-06 0.100000E-04    0.997556E+00
  78   -0.115016E-05    0.905170E+02  0.127066E-07 0.100000E-04    0.962712E+00
  79   -0.230634E-04    0.896081E+02  0.257381E-06 0.100000E-04    0.990693E+00
  80   -0.171002E-04    0.847325E+02  0.201814E-06 0.100000E-04    0.995748E+00
  81    0.168599E-04    0.809094E+02 -0.208380E-06 0.100000E-04    0.996832E+00
  82   -0.980747E-05    0.795648E+02  0.123264E-06 0.100000E-04    0.986149E+00
  83   -0.129882E-04    0.784254E+02  0.165612E-06 0.100000E-04    0.994298E+00
  84   -0.267388E-04    0.727367E+02  0.367611E-06 0.100000E-04    0.996661E+00
  85   -0.375649E-04    0.718098E+02  0.523117E-06 0.100000E-04    0.998977E+00
  86    0.224218E-04    0.683305E+02 -0.328137E-06 0.100000E-04    0.982644E+00
  87   -0.320009E-04    0.676460E+02  0.473064E-06 0.100000E-04    0.990210E+00
  88    0.232936E-07    0.633725E+02 -0.367566E-09 0.100000E-04    0.572205E+00
  89    0.442452E-04    0.610441E+02 -0.724808E-06 0.100000E-04    0.997393E+00
  90   -0.214461E-04    0.596622E+02  0.359458E-06 0.100000E-04    0.999920E+00
  91   -0.688900E-06    0.589478E+02  0.116866E-07 0.100000E-04    0.986710E+00
  92    0.528933E-04    0.559477E+02 -0.945406E-06 0.100000E-04    0.996806E+00
  93   -0.383049E-04    0.531505E+02  0.720688E-06 0.100000E-04    0.997337E+00
  94   -0.346659E-04    0.522291E+02  0.663727E-06 0.100000E-04    0.997232E+00
  95    0.323801E-04    0.502034E+02 -0.644979E-06 0.100000E-04    0.996403E+00
  96    0.109522E-04    0.478418E+02 -0.228925E-06 0.100000E-04    0.996385E+00
  97   -0.338354E-04    0.430764E+02  0.785473E-06 0.100000E-04    0.999933E+00
  98   -0.280949E-04    0.401660E+02  0.699470E-06 0.100000E-04    0.995605E+00
  99   -0.931393E-04    0.370674E+02  0.251270E-05 0.100000E-04    0.997203E+00
 100   -0.116944E-03    0.357416E+02  0.327193E-05 0.100000E-04    0.998526E+00
 101    0.188854E-05    0.356303E+02 -0.530036E-07 0.100000E-04    0.929181E+00
 102   -0.807888E-04    0.288715E+02  0.279822E-05 0.100000E-04    0.997535E+00
 103   -0.238309E-04    0.287370E+02  0.829275E-06 0.100000E-04    0.982511E+00
 104    0.539927E-04    0.282568E+02 -0.191078E-05 0.100000E-04    0.996949E+00
 105   -0.429258E-04    0.229345E+02  0.187167E-05 0.100000E-04    0.996958E+00
 106    0.393950E-05    0.218399E+02 -0.180381E-06 0.100000E-04    0.936459E+00
 107   -0.124307E-03    0.199606E+02  0.622761E-05 0.100000E-04    0.998511E+00
 108   -0.399515E-04    0.168204E+02  0.237518E-05 0.100000E-04    0.994831E+00
 109   -0.783183E-04    0.137702E+02  0.568753E-05 0.100000E-04    0.998758E+00
 110   -0.126855E-02    0.123046E+02  0.100000E-04 0.100000E-04    0.714255E+00
 111   -0.385138E-02    0.997679E+01  0.100000E-04 0.100000E-04    0.396824E+00
 112    0.111021E-03    0.958504E+01 -0.100000E-04 0.100000E-04    0.892117E+00
 113   -0.137350E-01    0.752294E+01  0.117425E-04 0.117425E-04    0.232047E+00
 114    0.491812E+00    0.460721E+01  0.400000E-03 0.400000E-03    0.324464E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1055589189    

 Beginning of optimization cycle  239.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3773533291
 potential> RMS force:                                               0.0462540581   |gradient|=.4938581982    
 Eigenvalues of the Hessian matrix:
   727.85364    672.64883    625.79986    604.51113    589.07928    567.68860 
   566.01356    480.77550    467.13598    461.99012    441.32912    430.39576 
   421.37271    407.16881    397.82647    388.81621    367.36918    362.56897 
   351.51499    338.46491    325.02030    321.59773    319.38237    315.10400 
   304.78416    287.89938    279.27072    270.80655    266.15050    263.43160 
   258.54949    253.70332    242.70291    237.82217    235.66030    228.70386 
   222.01849    213.08331    211.82430    208.15483    203.32701    197.98667 
   195.49404    191.59883    185.20623    176.19920    171.29962    167.68858 
   165.49781    159.83463    153.57899    150.98091    149.12848    143.03954 
   136.97367    135.42914    130.82247    127.72964    126.05999    125.40594 
   119.57149    117.98804    116.83638    111.61766    108.78376    105.05056 
   102.97814     99.96655     96.61260     95.12127     91.79900     90.51237 
    89.61531     84.73516     80.90964     79.56773     78.42365     72.73603 
    71.81373     68.32862     67.63725     63.37179     61.03399     59.66256 
    58.94983     55.94903     53.14613     52.22931     50.20197     47.83970 
    43.07322     40.16814     37.07006     35.74778     35.62101     28.87065 
    28.73654     28.24857     22.93325     21.83682     19.96518     16.82068 
    13.77013     12.30356      9.96894      9.58291      7.52074      4.60398 
overlap for current and previous eigenvector    109 is         0.9999992977
overlap for current and previous eigenvector    110 is         0.9999991976
overlap for current and previous eigenvector    111 is        -0.9998719220
overlap for current and previous eigenvector    112 is        -0.9998719566
overlap for current and previous eigenvector    113 is         0.9999969952
overlap for current and previous eigenvector    114 is         0.9999996409
J1,K1,R1,R2,RAT=   7   7   -0.1286886128E-01     2.012702138        0.9871311387    
FOB,PFOB,DIAG,PSTEP=   -0.1866392104E-05   -0.1842676973E-05     727.8536403        0.2531869722E-08
J1,K1,R1,R2,RAT=   8   8   -0.1172530131E-02     2.001134753        0.9988274699    
FOB,PFOB,DIAG,PSTEP=   -0.2966139471E-05   -0.2962665591E-05     672.6488283        0.4404559151E-08
J1,K1,R1,R2,RAT=   9   9    0.1284724112E-01     1.987107455        0.9871074553    
FOB,PFOB,DIAG,PSTEP=    0.5430710461E-06    0.5501389742E-06     625.7998617       -0.8791172223E-09
J1,K1,R1,R2,RAT=  10  10   -0.9716057960E-02     2.009715886        0.9902839420    
FOB,PFOB,DIAG,PSTEP=    0.1691716262E-05    0.1675437611E-05     604.5111326       -0.2771558149E-08
J1,K1,R1,R2,RAT=  11  11   -0.5715622667E-02     2.005740694        0.9942843773    
FOB,PFOB,DIAG,PSTEP=   -0.1102033248E-05   -0.1095770317E-05     589.0792750        0.1860117352E-08
J1,K1,R1,R2,RAT= 109 109    0.6490775112E-03     1.999356288        0.9993509225    
FOB,PFOB,DIAG,PSTEP=   -0.7826747444E-04   -0.7831830896E-04     13.77013450        0.5687533324E-05
J1,K1,R1,R2,RAT= 110 110   -0.2956129544         20.91645413        0.7043870456    
FOB,PFOB,DIAG,PSTEP=   -0.1304919961E-02   -0.1268549037E-02     12.30356246        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     77.85503480       -0.5875195528        0.4124804472    
FOB,PFOB,DIAG,PSTEP=    0.3909945437E-02   -0.3851375967E-02     9.968939612        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.466843733       -0.1497862332        0.8502137668    
FOB,PFOB,DIAG,PSTEP=   -0.1253746220E-03    0.1110207450E-03     9.582908061       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9521928884         312.0073038        0.4780711157E-01
FOB,PFOB,DIAG,PSTEP=   -0.1381905459E-01   -0.1373496444E-01     7.520737719        0.1174247787E-04
J1,K1,R1,R2,RAT= 114 114    0.9967537519        -535.1132162        0.3246248100E-02
FOB,PFOB,DIAG,PSTEP=    0.4936475017        0.4918118895         4.603976137        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000      0.00002 
     0.00002     -0.00003      0.00002     -0.00001     -0.00000      0.00002 
     0.00000     -0.00001      0.00000      0.00002     -0.00000     -0.00004 
     0.00002     -0.00003      0.00004     -0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002     -0.00001     -0.00001     -0.00003 
     0.00004      0.00002      0.00003      0.00000      0.00004      0.00002 
    -0.00000      0.00005     -0.00004     -0.00003      0.00003      0.00001 
     0.00003      0.00003     -0.00009     -0.00012      0.00000      0.00008 
     0.00002     -0.00005     -0.00004      0.00000      0.00012      0.00004 
    -0.00008     -0.00130      0.00391     -0.00013     -0.01382      0.49365 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4361729686
 Log product of positive Hessian eigenvalues =          520.1203486616
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6039761365
 Unscaled step for mode    7=        0.0000000026
 Unscaled step for mode    8=        0.0000000044
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000025
 Unscaled step for mode   13=        0.0000000046
 Unscaled step for mode   14=        0.0000000096
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000084
 Unscaled step for mode   17=       -0.0000000072
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000294
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=       -0.0000000094
 Unscaled step for mode   23=        0.0000000018
 Unscaled step for mode   24=       -0.0000000014
 Unscaled step for mode   25=        0.0000000433
 Unscaled step for mode   26=        0.0000000748
 Unscaled step for mode   27=        0.0000000385
 Unscaled step for mode   28=       -0.0000000122
 Unscaled step for mode   29=       -0.0000000052
 Unscaled step for mode   30=        0.0000000671
 Unscaled step for mode   31=        0.0000000254
 Unscaled step for mode   32=        0.0000000120
 Unscaled step for mode   33=       -0.0000000304
 Unscaled step for mode   34=       -0.0000000203
 Unscaled step for mode   35=       -0.0000000805
 Unscaled step for mode   36=       -0.0000000368
 Unscaled step for mode   37=        0.0000000479
 Unscaled step for mode   38=        0.0000000137
 Unscaled step for mode   39=        0.0000000651
 Unscaled step for mode   40=       -0.0000000351
 Unscaled step for mode   41=        0.0000000979
 Unscaled step for mode   42=        0.0000000304
 Unscaled step for mode   43=       -0.0000000333
 Unscaled step for mode   44=        0.0000000653
 Unscaled step for mode   45=       -0.0000000115
 Unscaled step for mode   46=       -0.0000000712
 Unscaled step for mode   47=        0.0000001259
 Unscaled step for mode   48=       -0.0000000102
 Unscaled step for mode   49=        0.0000000867
 Unscaled step for mode   50=        0.0000000451
 Unscaled step for mode   51=        0.0000000603
 Unscaled step for mode   52=       -0.0000000047
 Unscaled step for mode   53=        0.0000000548
 Unscaled step for mode   54=       -0.0000000573
 Unscaled step for mode   55=        0.0000001068
 Unscaled step for mode   56=        0.0000000364
 Unscaled step for mode   57=        0.0000000340
 Unscaled step for mode   58=       -0.0000001170
 Unscaled step for mode   59=        0.0000000310
 Unscaled step for mode   60=       -0.0000001166
 Unscaled step for mode   61=       -0.0000001165
 Unscaled step for mode   62=        0.0000002222
 Unscaled step for mode   63=       -0.0000001588
 Unscaled step for mode   64=        0.0000000999
 Unscaled step for mode   65=        0.0000000089
 Unscaled step for mode   66=       -0.0000001933
 Unscaled step for mode   67=       -0.0000000258
 Unscaled step for mode   68=        0.0000000647
 Unscaled step for mode   69=       -0.0000000262
 Unscaled step for mode   70=       -0.0000001610
 Unscaled step for mode   71=        0.0000000291
 Unscaled step for mode   72=        0.0000003648
 Unscaled step for mode   73=       -0.0000001872
 Unscaled step for mode   74=        0.0000002949
 Unscaled step for mode   75=       -0.0000004203
 Unscaled step for mode   76=        0.0000002973
 Unscaled step for mode   77=        0.0000006390
 Unscaled step for mode   78=       -0.0000000124
 Unscaled step for mode   79=       -0.0000002561
 Unscaled step for mode   80=        0.0000002025
 Unscaled step for mode   81=        0.0000002092
 Unscaled step for mode   82=        0.0000001225
 Unscaled step for mode   83=        0.0000001656
 Unscaled step for mode   84=        0.0000003702
 Unscaled step for mode   85=       -0.0000005259
 Unscaled step for mode   86=       -0.0000003230
 Unscaled step for mode   87=       -0.0000004778
 Unscaled step for mode   88=       -0.0000000003
 Unscaled step for mode   89=       -0.0000007280
 Unscaled step for mode   90=       -0.0000003624
 Unscaled step for mode   91=        0.0000000116
 Unscaled step for mode   92=       -0.0000009474
 Unscaled step for mode   93=        0.0000007213
 Unscaled step for mode   94=        0.0000006676
 Unscaled step for mode   95=       -0.0000006450
 Unscaled step for mode   96=       -0.0000002278
 Unscaled step for mode   97=       -0.0000007906
 Unscaled step for mode   98=       -0.0000007037
 Unscaled step for mode   99=        0.0000025301
 Unscaled step for mode  100=        0.0000032710
 Unscaled step for mode  101=       -0.0000000436
 Unscaled step for mode  102=       -0.0000028132
 Unscaled step for mode  103=       -0.0000008195
 Unscaled step for mode  104=        0.0000019286
 Unscaled step for mode  105=        0.0000018804
 Unscaled step for mode  106=       -0.0000002051
 Unscaled step for mode  107=       -0.0000062294
 Unscaled step for mode  108=       -0.0000023345
 Unscaled step for mode  109=        0.0000056839
 Unscaled step for mode  110=        0.0001060603
 Unscaled step for mode  111=       -0.0003922127
 Unscaled step for mode  112=        0.0000130831
 Unscaled step for mode  113=        0.0018374538
 Unscaled step for mode  114=        0.1060168643
 Largest modulus ratio of non-zero e/values=           158.0924007    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.245030E-16    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.260642E-15    0.100735E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.122515E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.371559E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.107417E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.411184E-16    0.973745E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.186639E-05    0.727854E+03  0.256424E-08 0.100000E-04    0.987131E+00
   8   -0.296614E-05    0.672649E+03  0.440964E-08 0.100000E-04    0.998827E+00
   9    0.543071E-06    0.625800E+03 -0.867803E-09 0.100000E-04    0.987107E+00
  10    0.169172E-05    0.604511E+03 -0.279849E-08 0.100000E-04    0.990284E+00
  11   -0.110203E-05    0.589079E+03  0.187077E-08 0.100000E-04    0.994284E+00
  12    0.144040E-05    0.567689E+03 -0.253730E-08 0.100000E-04    0.980292E+00
  13   -0.261190E-05    0.566014E+03  0.461455E-08 0.100000E-04    0.996702E+00
  14   -0.461516E-05    0.480775E+03  0.959941E-08 0.100000E-04    0.996536E+00
  15    0.179558E-05    0.467136E+03 -0.384381E-08 0.100000E-04    0.993957E+00
  16    0.389232E-05    0.461990E+03 -0.842511E-08 0.100000E-04    0.992000E+00
  17    0.316154E-05    0.441329E+03 -0.716368E-08 0.100000E-04    0.989542E+00
  18    0.452590E-05    0.430396E+03 -0.105157E-07 0.100000E-04    0.998503E+00
  19   -0.123854E-04    0.421373E+03  0.293931E-07 0.100000E-04    0.995760E+00
  20    0.877072E-05    0.407169E+03 -0.215408E-07 0.100000E-04    0.998789E+00
  21    0.710147E-05    0.397826E+03 -0.178507E-07 0.100000E-04    0.997498E+00
  22    0.365632E-05    0.388816E+03 -0.940372E-08 0.100000E-04    0.988822E+00
  23   -0.648461E-06    0.367369E+03  0.176515E-08 0.100000E-04    0.999647E+00
  24    0.505683E-06    0.362569E+03 -0.139472E-08 0.100000E-04    0.969655E+00
  25   -0.152140E-04    0.351515E+03  0.432812E-07 0.100000E-04    0.996453E+00
  26   -0.253230E-04    0.338465E+03  0.748172E-07 0.100000E-04    0.995971E+00
  27   -0.125183E-04    0.325020E+03  0.385155E-07 0.100000E-04    0.996247E+00
  28    0.391223E-05    0.321598E+03 -0.121650E-07 0.100000E-04    0.970479E+00
  29    0.166353E-05    0.319382E+03 -0.520857E-08 0.100000E-04    0.962155E+00
  30   -0.211549E-04    0.315104E+03  0.671361E-07 0.100000E-04    0.997962E+00
  31   -0.774858E-05    0.304784E+03  0.254232E-07 0.100000E-04    0.994348E+00
  32   -0.345907E-05    0.287899E+03  0.120149E-07 0.100000E-04    0.991133E+00
  33    0.850182E-05    0.279271E+03 -0.304429E-07 0.100000E-04    0.994085E+00
  34    0.548563E-05    0.270807E+03 -0.202566E-07 0.100000E-04    0.989956E+00
  35    0.214193E-04    0.266150E+03 -0.804782E-07 0.100000E-04    0.998765E+00
  36    0.970307E-05    0.263432E+03 -0.368334E-07 0.100000E-04    0.991648E+00
  37   -0.123825E-04    0.258549E+03  0.478921E-07 0.100000E-04    0.994917E+00
  38   -0.347486E-05    0.253703E+03  0.136966E-07 0.100000E-04    0.995720E+00
  39   -0.157961E-04    0.242703E+03  0.650841E-07 0.100000E-04    0.996948E+00
  40    0.834154E-05    0.237822E+03 -0.350747E-07 0.100000E-04    0.984903E+00
  41   -0.230795E-04    0.235660E+03  0.979355E-07 0.100000E-04    0.991003E+00
  42   -0.695749E-05    0.228704E+03  0.304214E-07 0.100000E-04    0.995593E+00
  43    0.738395E-05    0.222018E+03 -0.332583E-07 0.100000E-04    0.994203E+00
  44   -0.139228E-04    0.213083E+03  0.653399E-07 0.100000E-04    0.994828E+00
  45    0.243538E-05    0.211824E+03 -0.114972E-07 0.100000E-04    0.997015E+00
  46    0.148198E-04    0.208155E+03 -0.711960E-07 0.100000E-04    0.995005E+00
  47   -0.255974E-04    0.203327E+03  0.125893E-06 0.100000E-04    0.997832E+00
  48    0.202296E-05    0.197987E+03 -0.102176E-07 0.100000E-04    0.987865E+00
  49   -0.169422E-04    0.195494E+03  0.866637E-07 0.100000E-04    0.996531E+00
  50   -0.864472E-05    0.191599E+03  0.451189E-07 0.100000E-04    0.991563E+00
  51   -0.111735E-04    0.185206E+03  0.603301E-07 0.100000E-04    0.996955E+00
  52    0.825991E-06    0.176199E+03 -0.468782E-08 0.100000E-04    0.985556E+00
  53   -0.939511E-05    0.171300E+03  0.548460E-07 0.100000E-04    0.996105E+00
  54    0.961630E-05    0.167689E+03 -0.573462E-07 0.100000E-04    0.993712E+00
  55   -0.176708E-04    0.165498E+03  0.106773E-06 0.100000E-04    0.998185E+00
  56   -0.581202E-05    0.159835E+03  0.363627E-07 0.100000E-04    0.996773E+00
  57   -0.522290E-05    0.153579E+03  0.340079E-07 0.100000E-04    0.990782E+00
  58    0.176673E-04    0.150981E+03 -0.117017E-06 0.100000E-04    0.994865E+00
  59   -0.462652E-05    0.149128E+03  0.310237E-07 0.100000E-04    0.984082E+00
  60    0.166736E-04    0.143040E+03 -0.116566E-06 0.100000E-04    0.997330E+00
  61    0.159605E-04    0.136974E+03 -0.116522E-06 0.100000E-04    0.991265E+00
  62   -0.300869E-04    0.135429E+03  0.222160E-06 0.100000E-04    0.997812E+00
  63    0.207713E-04    0.130822E+03 -0.158775E-06 0.100000E-04    0.995411E+00
  64   -0.127644E-04    0.127730E+03  0.999326E-07 0.100000E-04    0.990588E+00
  65   -0.112424E-05    0.126060E+03  0.891828E-08 0.100000E-04    0.915744E+00
  66    0.242456E-04    0.125406E+03 -0.193337E-06 0.100000E-04    0.996427E+00
  67    0.308733E-05    0.119571E+03 -0.258200E-07 0.100000E-04    0.998838E+00
  68   -0.763710E-05    0.117988E+03  0.647278E-07 0.100000E-04    0.995782E+00
  69    0.306374E-05    0.116836E+03 -0.262225E-07 0.100000E-04    0.984503E+00
  70    0.179676E-04    0.111618E+03 -0.160975E-06 0.100000E-04    0.997466E+00
  71   -0.316737E-05    0.108784E+03  0.291162E-07 0.100000E-04    0.992021E+00
  72   -0.383213E-04    0.105051E+03  0.364789E-06 0.100000E-04    0.993562E+00
  73    0.192797E-04    0.102978E+03 -0.187222E-06 0.100000E-04    0.994814E+00
  74   -0.294828E-04    0.999665E+02  0.294927E-06 0.100000E-04    0.997733E+00
  75    0.406088E-04    0.966126E+02 -0.420327E-06 0.100000E-04    0.992818E+00
  76   -0.282813E-04    0.951213E+02  0.297318E-06 0.100000E-04    0.999930E+00
  77   -0.586591E-04    0.917990E+02  0.638995E-06 0.100000E-04    0.997969E+00
  78    0.111800E-05    0.905124E+02 -0.123519E-07 0.100000E-04    0.972038E+00
  79    0.229476E-04    0.896153E+02 -0.256068E-06 0.100000E-04    0.994818E+00
  80   -0.171553E-04    0.847352E+02  0.202458E-06 0.100000E-04    0.996779E+00
  81   -0.169235E-04    0.809096E+02  0.209166E-06 0.100000E-04    0.996225E+00
  82   -0.974454E-05    0.795677E+02  0.122468E-06 0.100000E-04    0.993509E+00
  83   -0.129858E-04    0.784236E+02  0.165586E-06 0.100000E-04    0.999816E+00
  84   -0.269289E-04    0.727360E+02  0.370228E-06 0.100000E-04    0.992890E+00
  85    0.377643E-04    0.718137E+02 -0.525865E-06 0.100000E-04    0.994693E+00
  86    0.220697E-04    0.683286E+02 -0.322993E-06 0.100000E-04    0.984296E+00
  87    0.323173E-04    0.676373E+02 -0.477803E-06 0.100000E-04    0.990112E+00
  88    0.188881E-07    0.633718E+02 -0.298052E-09 0.100000E-04    0.810870E+00
  89    0.444321E-04    0.610340E+02 -0.727989E-06 0.100000E-04    0.995776E+00
  90    0.216235E-04    0.596626E+02 -0.362431E-06 0.100000E-04    0.991725E+00
  91   -0.682780E-06    0.589498E+02  0.115824E-07 0.100000E-04    0.991046E+00
  92    0.530051E-04    0.559490E+02 -0.947382E-06 0.100000E-04    0.997886E+00
  93   -0.383367E-04    0.531461E+02  0.721345E-06 0.100000E-04    0.999170E+00
  94   -0.348663E-04    0.522293E+02  0.667563E-06 0.100000E-04    0.994218E+00
  95    0.323826E-04    0.502020E+02 -0.645047E-06 0.100000E-04    0.999923E+00
  96    0.108982E-04    0.478397E+02 -0.227806E-06 0.100000E-04    0.995066E+00
  97    0.340541E-04    0.430732E+02 -0.790611E-06 0.100000E-04    0.993533E+00
  98    0.282675E-04    0.401681E+02 -0.703730E-06 0.100000E-04    0.993856E+00
  99   -0.937926E-04    0.370701E+02  0.253014E-05 0.100000E-04    0.992986E+00
 100   -0.116933E-03    0.357478E+02  0.327105E-05 0.100000E-04    0.999559E+00
 101    0.155195E-05    0.356210E+02 -0.435683E-07 0.100000E-04    0.821725E+00
 102    0.812187E-04    0.288707E+02 -0.281319E-05 0.100000E-04    0.994679E+00
 103    0.235507E-04    0.287365E+02 -0.819537E-06 0.100000E-04    0.988240E+00
 104   -0.544799E-04    0.282486E+02  0.192859E-05 0.100000E-04    0.990974E+00
 105   -0.431229E-04    0.229332E+02  0.188037E-05 0.100000E-04    0.995408E+00
 106    0.447817E-05    0.218368E+02 -0.205074E-06 0.100000E-04    0.863247E+00
 107    0.124370E-03    0.199652E+02 -0.622936E-05 0.100000E-04    0.999490E+00
 108    0.392673E-04    0.168207E+02 -0.233446E-05 0.100000E-04    0.982844E+00
 109   -0.782675E-04    0.137701E+02  0.568386E-05 0.100000E-04    0.999351E+00
 110   -0.130492E-02    0.123036E+02  0.100000E-04 0.100000E-04    0.704387E+00
 111    0.390995E-02    0.996894E+01 -0.100000E-04 0.100000E-04    0.412480E+00
 112   -0.125375E-03    0.958291E+01  0.100000E-04 0.100000E-04    0.850214E+00
 113   -0.138191E-01    0.752074E+01  0.127993E-04 0.127993E-04    0.478071E-01
 114    0.493648E+00    0.460398E+01  0.400000E-03 0.400000E-03    0.324625E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1060168643    

 Beginning of optimization cycle  240.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3771557314
 potential> RMS force:                                               0.0464260336   |gradient|=.4956943933    
 Eigenvalues of the Hessian matrix:
   727.91431    672.66138    625.81398    604.51118    589.07177    567.72766 
   566.02943    480.79785    467.11297    461.98156    441.32943    430.38741 
   421.37856    407.17857    397.82226    388.81754    367.37384    362.55950 
   351.50729    338.43391    325.02826    321.59585    319.39548    315.07570 
   304.77742    287.90543    279.26509    270.80345    266.15704    263.44153 
   258.55847    253.70606    242.69697    237.81595    235.66406    228.70336 
   221.99845    213.09000    211.82895    208.14327    203.33007    197.98243 
   195.49281    191.59851    185.19598    176.18573    171.30570    167.68521 
   165.49453    159.82688    153.58188    150.98244    149.12722    143.04234 
   136.97441    135.43433    130.82077    127.73178    126.06021    125.41034 
   119.57323    117.98871    116.83888    111.61054    108.77286    105.04708 
   102.97976     99.96358     96.60468     95.12087     91.81038     90.50780 
    89.62244     84.73782     80.90986     79.57070     78.42192     72.73537 
    71.81762     68.32681     67.62840     63.37105     61.02387     59.66295 
    58.95186     55.95033     53.14173     52.22947     50.20056     47.83751 
    43.07005     40.17031     37.07274     35.75387     35.61157     28.86980 
    28.73602     28.24029     22.93207     21.83374     19.96975     16.82091 
    13.77010     12.30249      9.96131      9.58060      7.51849      4.60072 
overlap for current and previous eigenvector    109 is        -0.9999993038
overlap for current and previous eigenvector    110 is         0.9999992048
overlap for current and previous eigenvector    111 is         0.9998652193
overlap for current and previous eigenvector    112 is        -0.9998651442
overlap for current and previous eigenvector    113 is         0.9999969517
overlap for current and previous eigenvector    114 is         0.9999996412
J1,K1,R1,R2,RAT=   7   7   -0.1117769728E-01     2.011010991        0.9888223027    
FOB,PFOB,DIAG,PSTEP=   -0.1887255809E-05   -0.1866392104E-05     727.9143143        0.2564240942E-08
J1,K1,R1,R2,RAT=   8   8   -0.1051640891E-01     2.010479086        0.9894835911    
FOB,PFOB,DIAG,PSTEP=   -0.2997333189E-05   -0.2966139471E-05     672.6613811        0.4409640434E-08
J1,K1,R1,R2,RAT=   9   9    0.7754964770E-02     1.992199900        0.9921999003    
FOB,PFOB,DIAG,PSTEP=    0.5388594542E-06    0.5430710461E-06     625.8139847       -0.8678030778E-09
J1,K1,R1,R2,RAT=  10  10    0.5273445355E-02     1.994726406        0.9947264057    
FOB,PFOB,DIAG,PSTEP=    0.1682795088E-05    0.1691716262E-05     604.5111777       -0.2798486530E-08
J1,K1,R1,R2,RAT=  11  11    0.1308674760E-02     1.998716822        0.9986913252    
FOB,PFOB,DIAG,PSTEP=   -0.1100591064E-05   -0.1102033248E-05     589.0717654        0.1870772399E-08
J1,K1,R1,R2,RAT= 109 109     2.001094431       -0.1090022184E-02    0.9989099778    
FOB,PFOB,DIAG,PSTEP=    0.7835278754E-04   -0.7826747444E-04     13.77010414        0.5683856931E-05
J1,K1,R1,R2,RAT= 110 110   -0.2953836873         21.50929606        0.7046163127    
FOB,PFOB,DIAG,PSTEP=   -0.1341259516E-02   -0.1304919961E-02     12.30249223        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5906808912         79.09328592        0.4093191088    
FOB,PFOB,DIAG,PSTEP=    0.3968785014E-02    0.3909945437E-02     9.961313857       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     2.830201614       -0.2129410833        0.7870589167    
FOB,PFOB,DIAG,PSTEP=    0.1457756539E-03   -0.1253746220E-03     9.580599298        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7994118617         288.0041053        0.2005881383    
FOB,PFOB,DIAG,PSTEP=   -0.1389598311E-01   -0.1381905459E-01     7.518488626        0.1279930088E-04
J1,K1,R1,R2,RAT= 114 114    0.9967208535        -537.4860027        0.3279146522E-02
FOB,PFOB,DIAG,PSTEP=    0.4954817555        0.4936475017         4.600721006        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00001     -0.00002     -0.00000      0.00002 
    -0.00002      0.00003      0.00002     -0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00002      0.00000      0.00004 
     0.00002     -0.00003      0.00004     -0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002     -0.00001     -0.00001      0.00003 
     0.00004      0.00002      0.00003     -0.00000     -0.00004     -0.00002 
    -0.00000     -0.00005      0.00004     -0.00003      0.00003      0.00001 
    -0.00003     -0.00003     -0.00009     -0.00012     -0.00000     -0.00008 
    -0.00002      0.00005      0.00004      0.00000      0.00012     -0.00004 
     0.00008     -0.00134      0.00397      0.00015     -0.01390      0.49548 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4360949446
 Log product of positive Hessian eigenvalues =          520.1173958353
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.6007210059
 Unscaled step for mode    7=        0.0000000026
 Unscaled step for mode    8=        0.0000000045
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000024
 Unscaled step for mode   13=        0.0000000047
 Unscaled step for mode   14=        0.0000000095
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000085
 Unscaled step for mode   17=       -0.0000000072
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000295
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=       -0.0000000095
 Unscaled step for mode   23=        0.0000000017
 Unscaled step for mode   24=       -0.0000000013
 Unscaled step for mode   25=        0.0000000434
 Unscaled step for mode   26=        0.0000000751
 Unscaled step for mode   27=        0.0000000387
 Unscaled step for mode   28=       -0.0000000125
 Unscaled step for mode   29=       -0.0000000053
 Unscaled step for mode   30=        0.0000000674
 Unscaled step for mode   31=        0.0000000257
 Unscaled step for mode   32=        0.0000000121
 Unscaled step for mode   33=       -0.0000000305
 Unscaled step for mode   34=       -0.0000000204
 Unscaled step for mode   35=       -0.0000000807
 Unscaled step for mode   36=       -0.0000000372
 Unscaled step for mode   37=        0.0000000481
 Unscaled step for mode   38=        0.0000000137
 Unscaled step for mode   39=        0.0000000652
 Unscaled step for mode   40=       -0.0000000346
 Unscaled step for mode   41=        0.0000000989
 Unscaled step for mode   42=        0.0000000307
 Unscaled step for mode   43=       -0.0000000336
 Unscaled step for mode   44=        0.0000000660
 Unscaled step for mode   45=       -0.0000000112
 Unscaled step for mode   46=       -0.0000000717
 Unscaled step for mode   47=        0.0000001264
 Unscaled step for mode   48=       -0.0000000103
 Unscaled step for mode   49=        0.0000000872
 Unscaled step for mode   50=        0.0000000450
 Unscaled step for mode   51=        0.0000000607
 Unscaled step for mode   52=        0.0000000048
 Unscaled step for mode   53=        0.0000000550
 Unscaled step for mode   54=        0.0000000579
 Unscaled step for mode   55=       -0.0000001070
 Unscaled step for mode   56=       -0.0000000364
 Unscaled step for mode   57=       -0.0000000342
 Unscaled step for mode   58=        0.0000001176
 Unscaled step for mode   59=        0.0000000307
 Unscaled step for mode   60=       -0.0000001171
 Unscaled step for mode   61=        0.0000001170
 Unscaled step for mode   62=       -0.0000002223
 Unscaled step for mode   63=       -0.0000001588
 Unscaled step for mode   64=        0.0000001009
 Unscaled step for mode   65=       -0.0000000093
 Unscaled step for mode   66=        0.0000001936
 Unscaled step for mode   67=       -0.0000000263
 Unscaled step for mode   68=        0.0000000649
 Unscaled step for mode   69=       -0.0000000263
 Unscaled step for mode   70=        0.0000001621
 Unscaled step for mode   71=       -0.0000000294
 Unscaled step for mode   72=       -0.0000003663
 Unscaled step for mode   73=       -0.0000001882
 Unscaled step for mode   74=        0.0000002948
 Unscaled step for mode   75=       -0.0000004236
 Unscaled step for mode   76=        0.0000002975
 Unscaled step for mode   77=        0.0000006404
 Unscaled step for mode   78=       -0.0000000119
 Unscaled step for mode   79=       -0.0000002536
 Unscaled step for mode   80=        0.0000002033
 Unscaled step for mode   81=        0.0000002098
 Unscaled step for mode   82=        0.0000001207
 Unscaled step for mode   83=        0.0000001665
 Unscaled step for mode   84=       -0.0000003714
 Unscaled step for mode   85=       -0.0000005264
 Unscaled step for mode   86=       -0.0000003172
 Unscaled step for mode   87=       -0.0000004822
 Unscaled step for mode   88=        0.0000000013
 Unscaled step for mode   89=        0.0000007300
 Unscaled step for mode   90=        0.0000003624
 Unscaled step for mode   91=        0.0000000114
 Unscaled step for mode   92=        0.0000009503
 Unscaled step for mode   93=       -0.0000007194
 Unscaled step for mode   94=        0.0000006694
 Unscaled step for mode   95=       -0.0000006427
 Unscaled step for mode   96=       -0.0000002286
 Unscaled step for mode   97=        0.0000007907
 Unscaled step for mode   98=        0.0000007068
 Unscaled step for mode   99=        0.0000025369
 Unscaled step for mode  100=        0.0000032666
 Unscaled step for mode  101=        0.0000000386
 Unscaled step for mode  102=        0.0000028201
 Unscaled step for mode  103=        0.0000008043
 Unscaled step for mode  104=       -0.0000019349
 Unscaled step for mode  105=       -0.0000018860
 Unscaled step for mode  106=       -0.0000001929
 Unscaled step for mode  107=       -0.0000062214
 Unscaled step for mode  108=        0.0000023216
 Unscaled step for mode  109=       -0.0000056901
 Unscaled step for mode  110=        0.0001090234
 Unscaled step for mode  111=       -0.0003984198
 Unscaled step for mode  112=       -0.0000152157
 Unscaled step for mode  113=        0.0018482352
 Unscaled step for mode  114=        0.1064755836
 Largest modulus ratio of non-zero e/values=           158.2174432    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.295337E-15    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.446691E-15    0.100734E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.621898E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.255655E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.696539E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.832478E-15    0.973747E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.188726E-05    0.727914E+03  0.259269E-08 0.100000E-04    0.988822E+00
   8   -0.299733E-05    0.672661E+03  0.445593E-08 0.100000E-04    0.989484E+00
   9    0.538859E-06    0.625814E+03 -0.861054E-09 0.100000E-04    0.992200E+00
  10    0.168280E-05    0.604511E+03 -0.278373E-08 0.100000E-04    0.994726E+00
  11   -0.110059E-05    0.589072E+03  0.186835E-08 0.100000E-04    0.998691E+00
  12    0.138800E-05    0.567728E+03 -0.244484E-08 0.100000E-04    0.963491E+00
  13   -0.264524E-05    0.566029E+03  0.467332E-08 0.100000E-04    0.987236E+00
  14   -0.458252E-05    0.480798E+03  0.953108E-08 0.100000E-04    0.992836E+00
  15    0.180147E-05    0.467113E+03 -0.385660E-08 0.100000E-04    0.996721E+00
  16    0.391016E-05    0.461982E+03 -0.846389E-08 0.100000E-04    0.995415E+00
  17    0.316546E-05    0.441329E+03 -0.717256E-08 0.100000E-04    0.998760E+00
  18    0.453246E-05    0.430387E+03 -0.105311E-07 0.100000E-04    0.998551E+00
  19   -0.124204E-04    0.421379E+03  0.294757E-07 0.100000E-04    0.997175E+00
  20    0.875274E-05    0.407179E+03 -0.214961E-07 0.100000E-04    0.997901E+00
  21    0.710170E-05    0.397822E+03 -0.178514E-07 0.100000E-04    0.999968E+00
  22    0.369352E-05    0.388818E+03 -0.949937E-08 0.100000E-04    0.989826E+00
  23   -0.624355E-06    0.367374E+03  0.169951E-08 0.100000E-04    0.962800E+00
  24    0.485857E-06    0.362560E+03 -0.134008E-08 0.100000E-04    0.960793E+00
  25   -0.152652E-04    0.351507E+03  0.434279E-07 0.100000E-04    0.996632E+00
  26   -0.254118E-04    0.338434E+03  0.750865E-07 0.100000E-04    0.996493E+00
  27   -0.125731E-04    0.325028E+03  0.386831E-07 0.100000E-04    0.995625E+00
  28    0.401479E-05    0.321596E+03 -0.124839E-07 0.100000E-04    0.973785E+00
  29    0.170199E-05    0.319395E+03 -0.532878E-08 0.100000E-04    0.976881E+00
  30   -0.212372E-04    0.315076E+03  0.674034E-07 0.100000E-04    0.996109E+00
  31   -0.782414E-05    0.304777E+03  0.256717E-07 0.100000E-04    0.990248E+00
  32   -0.348587E-05    0.287905E+03  0.121077E-07 0.100000E-04    0.992253E+00
  33    0.852440E-05    0.279265E+03 -0.305244E-07 0.100000E-04    0.997345E+00
  34    0.551796E-05    0.270803E+03 -0.203762E-07 0.100000E-04    0.994106E+00
  35    0.214845E-04    0.266157E+03 -0.807213E-07 0.100000E-04    0.996954E+00
  36    0.979301E-05    0.263442E+03 -0.371734E-07 0.100000E-04    0.990732E+00
  37   -0.124424E-04    0.258558E+03  0.481220E-07 0.100000E-04    0.995165E+00
  38   -0.346841E-05    0.253706E+03  0.136710E-07 0.100000E-04    0.998121E+00
  39   -0.158284E-04    0.242697E+03  0.652190E-07 0.100000E-04    0.997953E+00
  40    0.822619E-05    0.237816E+03 -0.345906E-07 0.100000E-04    0.986172E+00
  41   -0.233082E-04    0.235664E+03  0.989042E-07 0.100000E-04    0.990093E+00
  42   -0.701272E-05    0.228703E+03  0.306630E-07 0.100000E-04    0.992061E+00
  43    0.745814E-05    0.221998E+03 -0.335954E-07 0.100000E-04    0.989952E+00
  44   -0.140648E-04    0.213090E+03  0.660042E-07 0.100000E-04    0.989802E+00
  45    0.238158E-05    0.211829E+03 -0.112430E-07 0.100000E-04    0.977865E+00
  46    0.149206E-04    0.208143E+03 -0.716841E-07 0.100000E-04    0.993200E+00
  47   -0.256976E-04    0.203330E+03  0.126384E-06 0.100000E-04    0.996085E+00
  48    0.204804E-05    0.197982E+03 -0.103446E-07 0.100000E-04    0.987601E+00
  49   -0.170487E-04    0.195493E+03  0.872087E-07 0.100000E-04    0.993717E+00
  50   -0.861497E-05    0.191599E+03  0.449636E-07 0.100000E-04    0.996558E+00
  51   -0.112435E-04    0.185196E+03  0.607114E-07 0.100000E-04    0.993736E+00
  52   -0.853788E-06    0.176186E+03  0.484595E-08 0.100000E-04    0.966344E+00
  53   -0.942658E-05    0.171306E+03  0.550278E-07 0.100000E-04    0.996650E+00
  54   -0.970556E-05    0.167685E+03  0.578796E-07 0.100000E-04    0.990718E+00
  55    0.177159E-04    0.165495E+03 -0.107048E-06 0.100000E-04    0.997448E+00
  56    0.581233E-05    0.159827E+03 -0.363664E-07 0.100000E-04    0.999948E+00
  57    0.525946E-05    0.153582E+03 -0.342453E-07 0.100000E-04    0.993001E+00
  58   -0.177487E-04    0.150982E+03  0.117554E-06 0.100000E-04    0.995398E+00
  59   -0.458446E-05    0.149127E+03  0.307419E-07 0.100000E-04    0.990908E+00
  60    0.167510E-04    0.143042E+03 -0.117105E-06 0.100000E-04    0.995353E+00
  61   -0.160323E-04    0.136974E+03  0.117046E-06 0.100000E-04    0.995502E+00
  62    0.301078E-04    0.135434E+03 -0.222306E-06 0.100000E-04    0.999305E+00
  63    0.207786E-04    0.130821E+03 -0.158832E-06 0.100000E-04    0.999650E+00
  64   -0.128927E-04    0.127732E+03  0.100936E-06 0.100000E-04    0.989942E+00
  65    0.117533E-05    0.126060E+03 -0.932354E-08 0.100000E-04    0.954557E+00
  66   -0.242740E-04    0.125410E+03  0.193556E-06 0.100000E-04    0.998829E+00
  67    0.314794E-05    0.119573E+03 -0.263265E-07 0.100000E-04    0.980368E+00
  68   -0.765193E-05    0.117989E+03  0.648530E-07 0.100000E-04    0.998059E+00
  69    0.307674E-05    0.116839E+03 -0.263332E-07 0.100000E-04    0.995757E+00
  70   -0.180941E-04    0.111611E+03  0.162119E-06 0.100000E-04    0.992957E+00
  71    0.319866E-05    0.108773E+03 -0.294068E-07 0.100000E-04    0.990121E+00
  72    0.384813E-04    0.105047E+03 -0.366324E-06 0.100000E-04    0.995826E+00
  73    0.193827E-04    0.102980E+03 -0.188218E-06 0.100000E-04    0.994661E+00
  74   -0.294690E-04    0.999636E+02  0.294798E-06 0.100000E-04    0.999531E+00
  75    0.409172E-04    0.966047E+02 -0.423553E-06 0.100000E-04    0.992406E+00
  76   -0.282963E-04    0.951209E+02  0.297478E-06 0.100000E-04    0.999469E+00
  77   -0.587960E-04    0.918104E+02  0.640406E-06 0.100000E-04    0.997667E+00
  78    0.107289E-05    0.905078E+02 -0.118541E-07 0.100000E-04    0.959646E+00
  79    0.227323E-04    0.896224E+02 -0.253645E-06 0.100000E-04    0.990460E+00
  80   -0.172279E-04    0.847378E+02  0.203309E-06 0.100000E-04    0.995765E+00
  81   -0.169765E-04    0.809099E+02  0.209820E-06 0.100000E-04    0.996872E+00
  82   -0.960539E-05    0.795707E+02  0.120715E-06 0.100000E-04    0.985646E+00
  83   -0.130594E-04    0.784219E+02  0.166528E-06 0.100000E-04    0.994331E+00
  84    0.270174E-04    0.727354E+02 -0.371448E-06 0.100000E-04    0.996712E+00
  85    0.378027E-04    0.718176E+02 -0.526371E-06 0.100000E-04    0.998984E+00
  86    0.216760E-04    0.683268E+02 -0.317240E-06 0.100000E-04    0.982161E+00
  87    0.326109E-04    0.676284E+02 -0.482207E-06 0.100000E-04    0.990912E+00
  88   -0.830269E-07    0.633710E+02  0.131017E-08 0.100000E-04    0.239576E+01
  89   -0.445468E-04    0.610239E+02  0.729990E-06 0.100000E-04    0.997418E+00
  90   -0.216233E-04    0.596629E+02  0.362424E-06 0.100000E-04    0.999975E+00
  91   -0.671843E-06    0.589519E+02  0.113965E-07 0.100000E-04    0.983913E+00
  92   -0.531715E-04    0.559503E+02  0.950334E-06 0.100000E-04    0.996862E+00
  93    0.382320E-04    0.531417E+02 -0.719434E-06 0.100000E-04    0.997268E+00
  94   -0.349613E-04    0.522295E+02  0.669380E-06 0.100000E-04    0.997275E+00
  95    0.322635E-04    0.502006E+02 -0.642693E-06 0.100000E-04    0.996323E+00
  96    0.109375E-04    0.478375E+02 -0.228639E-06 0.100000E-04    0.996387E+00
  97   -0.340534E-04    0.430701E+02  0.790652E-06 0.100000E-04    0.999978E+00
  98   -0.283904E-04    0.401703E+02  0.706751E-06 0.100000E-04    0.995653E+00
  99   -0.940501E-04    0.370727E+02  0.253691E-05 0.100000E-04    0.997254E+00
 100   -0.116795E-03    0.357539E+02  0.326663E-05 0.100000E-04    0.998479E+00
 101   -0.137310E-05    0.356116E+02  0.385577E-07 0.100000E-04    0.884729E+00
 102   -0.814144E-04    0.288698E+02  0.282005E-05 0.100000E-04    0.997590E+00
 103   -0.231133E-04    0.287360E+02  0.804334E-06 0.100000E-04    0.981430E+00
 104    0.546426E-04    0.282403E+02 -0.193492E-05 0.100000E-04    0.997012E+00
 105    0.432506E-04    0.229321E+02 -0.188603E-05 0.100000E-04    0.997039E+00
 106    0.421121E-05    0.218337E+02 -0.192876E-06 0.100000E-04    0.940378E+00
 107    0.124240E-03    0.199698E+02 -0.622141E-05 0.100000E-04    0.998495E+00
 108   -0.390521E-04    0.168209E+02  0.232164E-05 0.100000E-04    0.994493E+00
 109    0.783528E-04    0.137701E+02 -0.569006E-05 0.100000E-04    0.998910E+00
 110   -0.134126E-02    0.123025E+02  0.100000E-04 0.100000E-04    0.704616E+00
 111    0.396879E-02    0.996131E+01 -0.100000E-04 0.100000E-04    0.409319E+00
 112    0.145776E-03    0.958060E+01 -0.100000E-04 0.100000E-04    0.787059E+00
 113   -0.138960E-01    0.751849E+01  0.115309E-04 0.115309E-04    0.200588E+00
 114    0.495482E+00    0.460072E+01  0.400000E-03 0.400000E-03    0.327915E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1064755836    

 Beginning of optimization cycle  241.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3769573848
 potential> RMS force:                                               0.0465979089   |gradient|=.4975295201    
 Eigenvalues of the Hessian matrix:
   727.97504    672.67398    625.82809    604.51101    589.06430    567.76673 
   566.04518    480.82029    467.08997    461.97299    441.32973    430.37898 
   421.38436    407.18829    397.81803    388.81885    367.37849    362.55005 
   351.49952    338.40295    325.03620    321.59400    319.40855    315.04737 
   304.77059    287.91150    279.25944    270.80035    266.16360    263.45141 
   258.56736    253.70878    242.69101    237.80994    235.66754    228.70279 
   221.97840    213.09667    211.83359    208.13176    203.33311    197.97816 
   195.49152    191.59818    185.18571    176.17230    171.31180    167.68186 
   165.49120    159.81912    153.58478    150.98404    149.12591    143.04516 
   136.97516    135.43948    130.81910    127.73393    126.06042    125.41472 
   119.57499    117.98939    116.84140    111.60345    108.76202    105.04363 
   102.98138     99.96065     96.59674     95.12047     91.82179     90.50327 
    89.62948     84.74047     80.91007     79.57365     78.42021     72.73476 
    71.82157     68.32515     67.61942     63.37030     61.01379     59.66334 
    58.95390     55.95164     53.13737     52.22967     50.19915     47.83533 
    43.06690     40.17250     37.07548     35.75999     35.60214     28.86895 
    28.73550     28.23202     22.93092     21.83060     19.97436     16.82114 
    13.77008     12.30143      9.95391      9.57809      7.51622      4.59745 
overlap for current and previous eigenvector    109 is         0.9999993112
overlap for current and previous eigenvector    110 is        -0.9999992113
overlap for current and previous eigenvector    111 is         0.9998586741
overlap for current and previous eigenvector    112 is        -0.9998584821
overlap for current and previous eigenvector    113 is        -0.9999969136
overlap for current and previous eigenvector    114 is         0.9999996435
J1,K1,R1,R2,RAT=   7   7   -0.1268576948E-01     2.012518931        0.9873142305    
FOB,PFOB,DIAG,PSTEP=   -0.1911199099E-05   -0.1887255809E-05     727.9750413        0.2592689513E-08
J1,K1,R1,R2,RAT=   8   8   -0.1253376602E-02     2.001215903        0.9987466234    
FOB,PFOB,DIAG,PSTEP=   -0.3001090047E-05   -0.2997333189E-05     672.6739849        0.4455931726E-08
J1,K1,R1,R2,RAT=   9   9    0.1278428890E-01     1.987170619        0.9871706187    
FOB,PFOB,DIAG,PSTEP=    0.5319703639E-06    0.5388594542E-06     625.8280947       -0.8610537114E-09
J1,K1,R1,R2,RAT=  10  10   -0.9620354363E-02     2.009620897        0.9903796456    
FOB,PFOB,DIAG,PSTEP=    0.1698984168E-05    0.1682795088E-05     604.5110137       -0.2783728655E-08
J1,K1,R1,R2,RAT=  11  11   -0.5847388719E-02     2.005872725        0.9941526113    
FOB,PFOB,DIAG,PSTEP=   -0.1107026566E-05   -0.1100591064E-05     589.0643031        0.1868348015E-08
J1,K1,R1,R2,RAT= 109 109    0.7375003608E-03     1.999265697        0.9992624996    
FOB,PFOB,DIAG,PSTEP=    0.7829500242E-04    0.7835278754E-04     13.77008213       -0.5690064992E-05
J1,K1,R1,R2,RAT= 110 110     22.11175918       -0.3051979662        0.6948020338    
FOB,PFOB,DIAG,PSTEP=    0.1378803233E-02   -0.1341259516E-02     12.30143078        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5718252517         80.31503277        0.4281747483    
FOB,PFOB,DIAG,PSTEP=    0.4025704006E-02    0.3968785014E-02     9.953913662       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     3.299242762       -0.2553026566        0.7446973434    
FOB,PFOB,DIAG,PSTEP=   -0.1702287709E-03    0.1457756539E-03     9.578089506       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     321.6553767       -0.9865693297        0.1343067030E-01
FOB,PFOB,DIAG,PSTEP=    0.1398148785E-01   -0.1389598311E-01     7.516216604        0.1153090169E-04
J1,K1,R1,R2,RAT= 114 114    0.9967196637        -539.8628513        0.3280336347E-02
FOB,PFOB,DIAG,PSTEP=    0.4973147020        0.4954817555         4.597447552        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00001     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000      0.00002 
    -0.00002     -0.00003     -0.00002      0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00004 
     0.00002      0.00003     -0.00004     -0.00003     -0.00006      0.00000 
     0.00002      0.00002      0.00002     -0.00001     -0.00001     -0.00003 
     0.00004      0.00002     -0.00003     -0.00000      0.00004      0.00002 
     0.00000     -0.00005      0.00004      0.00004     -0.00003     -0.00001 
     0.00003     -0.00003     -0.00009      0.00012      0.00000      0.00008 
     0.00002     -0.00006     -0.00004      0.00000     -0.00012      0.00004 
     0.00008      0.00138      0.00403     -0.00017      0.01398      0.49731 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4360135507
 Log product of positive Hessian eigenvalues =          520.1144437923
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5974475517
 Unscaled step for mode    7=        0.0000000026
 Unscaled step for mode    8=        0.0000000045
 Unscaled step for mode    9=       -0.0000000009
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000024
 Unscaled step for mode   13=        0.0000000047
 Unscaled step for mode   14=        0.0000000095
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000085
 Unscaled step for mode   17=       -0.0000000072
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000296
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=       -0.0000000096
 Unscaled step for mode   23=        0.0000000017
 Unscaled step for mode   24=       -0.0000000013
 Unscaled step for mode   25=        0.0000000436
 Unscaled step for mode   26=        0.0000000754
 Unscaled step for mode   27=        0.0000000388
 Unscaled step for mode   28=       -0.0000000128
 Unscaled step for mode   29=       -0.0000000055
 Unscaled step for mode   30=        0.0000000675
 Unscaled step for mode   31=        0.0000000258
 Unscaled step for mode   32=        0.0000000122
 Unscaled step for mode   33=       -0.0000000307
 Unscaled step for mode   34=       -0.0000000206
 Unscaled step for mode   35=       -0.0000000808
 Unscaled step for mode   36=       -0.0000000375
 Unscaled step for mode   37=        0.0000000484
 Unscaled step for mode   38=        0.0000000136
 Unscaled step for mode   39=        0.0000000654
 Unscaled step for mode   40=       -0.0000000340
 Unscaled step for mode   41=        0.0000000998
 Unscaled step for mode   42=        0.0000000308
 Unscaled step for mode   43=       -0.0000000338
 Unscaled step for mode   44=        0.0000000663
 Unscaled step for mode   45=       -0.0000000113
 Unscaled step for mode   46=       -0.0000000720
 Unscaled step for mode   47=        0.0000001267
 Unscaled step for mode   48=       -0.0000000105
 Unscaled step for mode   49=        0.0000000875
 Unscaled step for mode   50=        0.0000000453
 Unscaled step for mode   51=        0.0000000609
 Unscaled step for mode   52=        0.0000000049
 Unscaled step for mode   53=        0.0000000552
 Unscaled step for mode   54=        0.0000000582
 Unscaled step for mode   55=        0.0000001072
 Unscaled step for mode   56=        0.0000000365
 Unscaled step for mode   57=        0.0000000346
 Unscaled step for mode   58=       -0.0000001181
 Unscaled step for mode   59=        0.0000000302
 Unscaled step for mode   60=       -0.0000001174
 Unscaled step for mode   61=        0.0000001181
 Unscaled step for mode   62=        0.0000002228
 Unscaled step for mode   63=        0.0000001596
 Unscaled step for mode   64=       -0.0000001019
 Unscaled step for mode   65=        0.0000000101
 Unscaled step for mode   66=       -0.0000001942
 Unscaled step for mode   67=        0.0000000264
 Unscaled step for mode   68=       -0.0000000651
 Unscaled step for mode   69=        0.0000000267
 Unscaled step for mode   70=        0.0000001625
 Unscaled step for mode   71=        0.0000000296
 Unscaled step for mode   72=        0.0000003687
 Unscaled step for mode   73=       -0.0000001892
 Unscaled step for mode   74=       -0.0000002955
 Unscaled step for mode   75=        0.0000004266
 Unscaled step for mode   76=        0.0000002974
 Unscaled step for mode   77=        0.0000006416
 Unscaled step for mode   78=       -0.0000000115
 Unscaled step for mode   79=       -0.0000002523
 Unscaled step for mode   80=       -0.0000002040
 Unscaled step for mode   81=       -0.0000002106
 Unscaled step for mode   82=        0.0000001199
 Unscaled step for mode   83=        0.0000001665
 Unscaled step for mode   84=        0.0000003741
 Unscaled step for mode   85=       -0.0000005291
 Unscaled step for mode   86=       -0.0000003121
 Unscaled step for mode   87=        0.0000004867
 Unscaled step for mode   88=        0.0000000013
 Unscaled step for mode   89=       -0.0000007332
 Unscaled step for mode   90=       -0.0000003654
 Unscaled step for mode   91=       -0.0000000113
 Unscaled step for mode   92=        0.0000009523
 Unscaled step for mode   93=       -0.0000007200
 Unscaled step for mode   94=       -0.0000006732
 Unscaled step for mode   95=        0.0000006427
 Unscaled step for mode   96=        0.0000002275
 Unscaled step for mode   97=       -0.0000007958
 Unscaled step for mode   98=        0.0000007110
 Unscaled step for mode   99=        0.0000025542
 Unscaled step for mode  100=       -0.0000032656
 Unscaled step for mode  101=       -0.0000000283
 Unscaled step for mode  102=       -0.0000028349
 Unscaled step for mode  103=       -0.0000007940
 Unscaled step for mode  104=        0.0000019526
 Unscaled step for mode  105=        0.0000018947
 Unscaled step for mode  106=       -0.0000002175
 Unscaled step for mode  107=        0.0000062229
 Unscaled step for mode  108=       -0.0000022810
 Unscaled step for mode  109=       -0.0000056859
 Unscaled step for mode  110=       -0.0001120848
 Unscaled step for mode  111=       -0.0004044342
 Unscaled step for mode  112=        0.0000177727
 Unscaled step for mode  113=       -0.0018601698
 Unscaled step for mode  114=        0.1069349591
 Largest modulus ratio of non-zero e/values=           158.3433053    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.789299E-16    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.656810E-15    0.100734E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.201311E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.221177E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.219009E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.400071E-16    0.973748E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.191120E-05    0.727975E+03  0.262536E-08 0.100000E-04    0.987314E+00
   8   -0.300109E-05    0.672674E+03  0.446143E-08 0.100000E-04    0.998747E+00
   9    0.531970E-06    0.625828E+03 -0.850026E-09 0.100000E-04    0.987171E+00
  10    0.169898E-05    0.604511E+03 -0.281051E-08 0.100000E-04    0.990380E+00
  11   -0.110703E-05    0.589064E+03  0.187930E-08 0.100000E-04    0.994153E+00
  12    0.135960E-05    0.567767E+03 -0.239464E-08 0.100000E-04    0.979399E+00
  13   -0.265318E-05    0.566045E+03  0.468722E-08 0.100000E-04    0.996997E+00
  14   -0.456634E-05    0.480820E+03  0.949698E-08 0.100000E-04    0.996376E+00
  15    0.179084E-05    0.467090E+03 -0.383403E-08 0.100000E-04    0.994099E+00
  16    0.394106E-05    0.461973E+03 -0.853094E-08 0.100000E-04    0.992097E+00
  17    0.319823E-05    0.441330E+03 -0.724680E-08 0.100000E-04    0.989648E+00
  18    0.453960E-05    0.430379E+03 -0.105479E-07 0.100000E-04    0.998425E+00
  19   -0.124726E-04    0.421384E+03  0.295992E-07 0.100000E-04    0.995797E+00
  20    0.876308E-05    0.407188E+03 -0.215210E-07 0.100000E-04    0.998819E+00
  21    0.711906E-05    0.397818E+03 -0.178953E-07 0.100000E-04    0.997556E+00
  22    0.373383E-05    0.388819E+03 -0.960300E-08 0.100000E-04    0.989088E+00
  23   -0.624327E-06    0.367378E+03  0.169941E-08 0.100000E-04    0.999931E+00
  24    0.470172E-06    0.362550E+03 -0.129685E-08 0.100000E-04    0.967716E+00
  25   -0.153190E-04    0.351500E+03  0.435818E-07 0.100000E-04    0.996477E+00
  26   -0.255127E-04    0.338403E+03  0.753916E-07 0.100000E-04    0.996028E+00
  27   -0.126200E-04    0.325036E+03  0.388266E-07 0.100000E-04    0.996266E+00
  28    0.412795E-05    0.321594E+03 -0.128359E-07 0.100000E-04    0.971812E+00
  29    0.176274E-05    0.319409E+03 -0.551877E-08 0.100000E-04    0.964305E+00
  30   -0.212794E-04    0.315047E+03  0.675435E-07 0.100000E-04    0.998011E+00
  31   -0.786841E-05    0.304771E+03  0.258175E-07 0.100000E-04    0.994342E+00
  32   -0.351589E-05    0.287912E+03  0.122117E-07 0.100000E-04    0.991388E+00
  33    0.857414E-05    0.279259E+03 -0.307031E-07 0.100000E-04    0.994164E+00
  34    0.557286E-05    0.270800E+03 -0.205792E-07 0.100000E-04    0.990051E+00
  35    0.215100E-04    0.266164E+03 -0.808150E-07 0.100000E-04    0.998815E+00
  36    0.987364E-05    0.263451E+03 -0.374780E-07 0.100000E-04    0.991766E+00
  37   -0.125052E-04    0.258567E+03  0.483635E-07 0.100000E-04    0.994947E+00
  38   -0.345322E-05    0.253709E+03  0.136110E-07 0.100000E-04    0.995600E+00
  39   -0.158760E-04    0.242691E+03  0.654165E-07 0.100000E-04    0.996996E+00
  40    0.808918E-05    0.237810E+03 -0.340153E-07 0.100000E-04    0.983345E+00
  41   -0.235142E-04    0.235668E+03  0.997768E-07 0.100000E-04    0.991163E+00
  42   -0.704324E-05    0.228703E+03  0.307965E-07 0.100000E-04    0.995648E+00
  43    0.750116E-05    0.221978E+03 -0.337923E-07 0.100000E-04    0.994231E+00
  44   -0.141374E-04    0.213097E+03  0.663428E-07 0.100000E-04    0.994840E+00
  45    0.238822E-05    0.211834E+03 -0.112740E-07 0.100000E-04    0.997214E+00
  46    0.149952E-04    0.208132E+03 -0.720467E-07 0.100000E-04    0.994997E+00
  47   -0.257523E-04    0.203333E+03  0.126651E-06 0.100000E-04    0.997872E+00
  48    0.207255E-05    0.197978E+03 -0.104686E-07 0.100000E-04    0.988030E+00
  49   -0.171076E-04    0.195492E+03  0.875109E-07 0.100000E-04    0.996542E+00
  50   -0.868685E-05    0.191598E+03  0.453389E-07 0.100000E-04    0.991656E+00
  51   -0.112778E-04    0.185186E+03  0.609002E-07 0.100000E-04    0.996945E+00
  52   -0.866116E-06    0.176172E+03  0.491630E-08 0.100000E-04    0.985560E+00
  53   -0.946352E-05    0.171312E+03  0.552415E-07 0.100000E-04    0.996081E+00
  54   -0.976671E-05    0.167682E+03  0.582455E-07 0.100000E-04    0.993699E+00
  55   -0.177474E-04    0.165491E+03  0.107241E-06 0.100000E-04    0.998222E+00
  56   -0.583000E-05    0.159819E+03  0.364788E-07 0.100000E-04    0.996959E+00
  57   -0.530826E-05    0.153585E+03  0.345624E-07 0.100000E-04    0.990721E+00
  58    0.178384E-04    0.150984E+03 -0.118148E-06 0.100000E-04    0.994944E+00
  59   -0.450897E-05    0.149126E+03  0.302360E-07 0.100000E-04    0.983534E+00
  60    0.167965E-04    0.143045E+03 -0.117421E-06 0.100000E-04    0.997286E+00
  61   -0.161717E-04    0.136975E+03  0.118063E-06 0.100000E-04    0.991303E+00
  62   -0.301714E-04    0.135439E+03  0.222767E-06 0.100000E-04    0.997888E+00
  63   -0.208725E-04    0.130819E+03  0.159552E-06 0.100000E-04    0.995479E+00
  64    0.130135E-04    0.127734E+03 -0.101880E-06 0.100000E-04    0.990632E+00
  65   -0.126776E-05    0.126060E+03  0.100568E-07 0.100000E-04    0.921355E+00
  66    0.243582E-04    0.125415E+03 -0.194221E-06 0.100000E-04    0.996531E+00
  67   -0.315225E-05    0.119575E+03  0.263621E-07 0.100000E-04    0.998634E+00
  68    0.768351E-05    0.117989E+03 -0.651203E-07 0.100000E-04    0.995873E+00
  69   -0.312352E-05    0.116841E+03  0.267330E-07 0.100000E-04    0.984796E+00
  70   -0.181393E-04    0.111603E+03  0.162534E-06 0.100000E-04    0.997503E+00
  71   -0.322337E-05    0.108762E+03  0.296369E-07 0.100000E-04    0.992274E+00
  72   -0.387264E-04    0.105044E+03  0.368670E-06 0.100000E-04    0.993628E+00
  73    0.194823E-04    0.102981E+03 -0.189183E-06 0.100000E-04    0.994860E+00
  74    0.295336E-04    0.999607E+02 -0.295452E-06 0.100000E-04    0.997809E+00
  75   -0.412112E-04    0.965967E+02  0.426632E-06 0.100000E-04    0.992814E+00
  76   -0.282886E-04    0.951205E+02  0.297397E-06 0.100000E-04    0.999725E+00
  77   -0.589121E-04    0.918218E+02  0.641592E-06 0.100000E-04    0.998025E+00
  78    0.103878E-05    0.905033E+02 -0.114778E-07 0.100000E-04    0.968206E+00
  79    0.226143E-04    0.896295E+02 -0.252309E-06 0.100000E-04    0.994652E+00
  80    0.172832E-04    0.847405E+02 -0.203954E-06 0.100000E-04    0.996795E+00
  81    0.170395E-04    0.809101E+02 -0.210598E-06 0.100000E-04    0.996288E+00
  82   -0.954060E-05    0.795736E+02  0.119896E-06 0.100000E-04    0.993181E+00
  83   -0.130577E-04    0.784202E+02  0.166510E-06 0.100000E-04    0.999868E+00
  84   -0.272071E-04    0.727348E+02  0.374060E-06 0.100000E-04    0.992979E+00
  85    0.380012E-04    0.718216E+02 -0.529105E-06 0.100000E-04    0.994750E+00
  86    0.213259E-04    0.683251E+02 -0.312124E-06 0.100000E-04    0.983850E+00
  87   -0.329116E-04    0.676194E+02  0.486719E-06 0.100000E-04    0.990777E+00
  88   -0.796673E-07    0.633703E+02  0.125717E-08 0.100000E-04    0.959536E+00
  89    0.447332E-04    0.610138E+02 -0.733166E-06 0.100000E-04    0.995815E+00
  90    0.218009E-04    0.596633E+02 -0.365398E-06 0.100000E-04    0.991786E+00
  91    0.663750E-06    0.589539E+02 -0.112588E-07 0.100000E-04    0.987886E+00
  92   -0.532820E-04    0.559516E+02  0.952286E-06 0.100000E-04    0.997922E+00
  93    0.382592E-04    0.531374E+02 -0.720006E-06 0.100000E-04    0.999287E+00
  94    0.351601E-04    0.522297E+02 -0.673182E-06 0.100000E-04    0.994315E+00
  95   -0.322634E-04    0.501991E+02  0.642707E-06 0.100000E-04    0.999994E+00
  96   -0.108832E-04    0.478353E+02  0.227515E-06 0.100000E-04    0.995037E+00
  97    0.342727E-04    0.430669E+02 -0.795802E-06 0.100000E-04    0.993559E+00
  98   -0.285645E-04    0.401725E+02  0.711047E-06 0.100000E-04    0.993867E+00
  99   -0.946977E-04    0.370755E+02  0.255419E-05 0.100000E-04    0.993115E+00
 100    0.116778E-03    0.357600E+02 -0.326559E-05 0.100000E-04    0.999512E+00
 101    0.100867E-05    0.356021E+02 -0.283317E-07 0.100000E-04    0.734521E+00
 102    0.818408E-04    0.288690E+02 -0.283491E-05 0.100000E-04    0.994762E+00
 103    0.228171E-04    0.287355E+02 -0.794039E-06 0.100000E-04    0.987183E+00
 104   -0.551268E-04    0.282320E+02  0.195263E-05 0.100000E-04    0.991137E+00
 105   -0.434472E-04    0.229309E+02  0.189470E-05 0.100000E-04    0.995455E+00
 106    0.474717E-05    0.218306E+02 -0.217455E-06 0.100000E-04    0.872711E+00
 107   -0.124299E-03    0.199744E+02  0.622293E-05 0.100000E-04    0.999525E+00
 108    0.383690E-04    0.168211E+02 -0.228100E-05 0.100000E-04    0.982482E+00
 109    0.782950E-04    0.137701E+02 -0.568588E-05 0.100000E-04    0.999262E+00
 110    0.137880E-02    0.123014E+02 -0.100000E-04 0.100000E-04    0.694802E+00
 111    0.402570E-02    0.995391E+01 -0.100000E-04 0.100000E-04    0.428175E+00
 112   -0.170229E-03    0.957809E+01  0.100000E-04 0.100000E-04    0.744697E+00
 113    0.139815E-01    0.751622E+01 -0.125687E-04 0.125687E-04    0.134307E-01
 114    0.497315E+00    0.459745E+01  0.400000E-03 0.400000E-03    0.328034E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1069349591    

 Beginning of optimization cycle  242.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3767583219
 potential> RMS force:                                               0.0467696380   |gradient|=.4993630847    
 Eigenvalues of the Hessian matrix:
   728.03577    672.68644    625.84215    604.51084    589.05672    567.80603 
   566.06065    480.84272    467.06694    461.96446    441.33005    430.37063 
   421.39018    407.19801    397.81378    388.82012    367.38320    362.54059 
   351.49182    338.37215    325.04422    321.59217    319.42156    315.01903 
   304.76373    287.91762    279.25380    270.79732    266.17024    263.46130 
   258.57642    253.71151    242.68513    237.80423    235.67080    228.70221 
   221.95834    213.10342    211.83825    208.12030    203.33616    197.97388 
   195.49022    191.59784    185.17545    176.15888    171.31789    167.67855 
   165.48785    159.81131    153.58774    150.98570    149.12445    143.04795 
   136.97593    135.44464    130.81741    127.73614    126.06059    125.41906 
   119.57675    117.99008    116.84389    111.59636    108.75115    105.04016 
   102.98300     99.95773     96.58876     95.12003     91.83325     90.49881 
    89.63643     84.74314     80.91029     79.57660     78.41850     72.73416 
    71.82550     68.32352     67.61030     63.36954     61.00367     59.66375 
    58.95591     55.95293     53.13299     52.22986     50.19773     47.83310 
    43.06378     40.17469     37.07825     35.76604     35.59261     28.86811 
    28.73497     28.22373     22.92983     21.82742     19.97895     16.82136 
    13.77007     12.30039      9.94675      9.57539      7.51390      4.59415 
overlap for current and previous eigenvector    109 is         0.9999993172
overlap for current and previous eigenvector    110 is         0.9999992182
overlap for current and previous eigenvector    111 is         0.9998523629
overlap for current and previous eigenvector    112 is         0.9998520527
overlap for current and previous eigenvector    113 is         0.9999968692
overlap for current and previous eigenvector    114 is         0.9999996438
J1,K1,R1,R2,RAT=   7   7   -0.1106749033E-01     2.010900664        0.9889325097    
FOB,PFOB,DIAG,PSTEP=   -0.1932353041E-05   -0.1911199099E-05     728.0357689        0.2625363495E-08
J1,K1,R1,R2,RAT=   8   8   -0.1035514165E-01     2.010318122        0.9896448584    
FOB,PFOB,DIAG,PSTEP=   -0.3032167335E-05   -0.3001090047E-05     672.6864361        0.4461433197E-08
J1,K1,R1,R2,RAT=   9   9    0.8273992640E-02     1.991681081        0.9916810810    
FOB,PFOB,DIAG,PSTEP=    0.5275687462E-06    0.5319703639E-06     625.8421531       -0.8500263385E-09
J1,K1,R1,R2,RAT=  10  10    0.5144368038E-02     1.994856201        0.9948556320    
FOB,PFOB,DIAG,PSTEP=    0.1690243971E-05    0.1698984168E-05     604.5108418       -0.2810509867E-08
J1,K1,R1,R2,RAT=  11  11    0.1123235144E-02     1.998902521        0.9988767649    
FOB,PFOB,DIAG,PSTEP=   -0.1105783131E-05   -0.1107026566E-05     589.0567172        0.1879296641E-08
J1,K1,R1,R2,RAT= 109 109   -0.1011686788E-02     2.001013931        0.9989883132    
FOB,PFOB,DIAG,PSTEP=    0.7837421235E-04    0.7829500242E-04     13.77006668       -0.5685877664E-05
J1,K1,R1,R2,RAT= 110 110   -0.3049981579         22.72385897        0.6950018421    
FOB,PFOB,DIAG,PSTEP=    0.1416319184E-02    0.1378803233E-02     12.30038622       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5710937395         81.51620804        0.4289062605    
FOB,PFOB,DIAG,PSTEP=    0.4082509271E-02    0.4025704006E-02     9.946749822       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.3189442301         3.874493466        0.6810557699    
FOB,PFOB,DIAG,PSTEP=   -0.2007689101E-03   -0.1702287709E-03     9.575385383        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8312810060         296.9243828        0.1687189940    
FOB,PFOB,DIAG,PSTEP=    0.1405999387E-01    0.1398148785E-01     7.513898569       -0.1256868284E-04
J1,K1,R1,R2,RAT= 114 114    0.9966863187        -542.2444709        0.3313681270E-02
FOB,PFOB,DIAG,PSTEP=    0.4991462726        0.4973147020         4.594150001        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001      0.00002      0.00000     -0.00002 
    -0.00002     -0.00003      0.00002     -0.00001     -0.00000      0.00002 
     0.00000     -0.00001      0.00000      0.00002     -0.00000     -0.00004 
     0.00002      0.00003     -0.00004     -0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002     -0.00001     -0.00001     -0.00003 
     0.00004      0.00002     -0.00003     -0.00000      0.00004      0.00002 
     0.00000      0.00005     -0.00004      0.00004      0.00003      0.00001 
     0.00003     -0.00003     -0.00009     -0.00012     -0.00000     -0.00008 
    -0.00002      0.00006      0.00004     -0.00000      0.00012      0.00004 
     0.00008      0.00142      0.00408     -0.00020      0.01406      0.49915 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4359333250
 Log product of positive Hessian eigenvalues =          520.1114771798
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5941500014
 Unscaled step for mode    7=        0.0000000027
 Unscaled step for mode    8=        0.0000000045
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000023
 Unscaled step for mode   13=        0.0000000047
 Unscaled step for mode   14=        0.0000000094
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000086
 Unscaled step for mode   17=       -0.0000000073
 Unscaled step for mode   18=       -0.0000000106
 Unscaled step for mode   19=        0.0000000297
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=       -0.0000000097
 Unscaled step for mode   23=        0.0000000016
 Unscaled step for mode   24=       -0.0000000012
 Unscaled step for mode   25=        0.0000000437
 Unscaled step for mode   26=        0.0000000757
 Unscaled step for mode   27=        0.0000000390
 Unscaled step for mode   28=       -0.0000000132
 Unscaled step for mode   29=       -0.0000000056
 Unscaled step for mode   30=        0.0000000678
 Unscaled step for mode   31=        0.0000000261
 Unscaled step for mode   32=        0.0000000123
 Unscaled step for mode   33=       -0.0000000308
 Unscaled step for mode   34=       -0.0000000207
 Unscaled step for mode   35=       -0.0000000811
 Unscaled step for mode   36=       -0.0000000378
 Unscaled step for mode   37=        0.0000000486
 Unscaled step for mode   38=        0.0000000136
 Unscaled step for mode   39=        0.0000000656
 Unscaled step for mode   40=       -0.0000000335
 Unscaled step for mode   41=        0.0000001007
 Unscaled step for mode   42=        0.0000000310
 Unscaled step for mode   43=       -0.0000000341
 Unscaled step for mode   44=        0.0000000670
 Unscaled step for mode   45=       -0.0000000110
 Unscaled step for mode   46=       -0.0000000725
 Unscaled step for mode   47=        0.0000001271
 Unscaled step for mode   48=       -0.0000000106
 Unscaled step for mode   49=        0.0000000881
 Unscaled step for mode   50=        0.0000000452
 Unscaled step for mode   51=        0.0000000613
 Unscaled step for mode   52=        0.0000000051
 Unscaled step for mode   53=        0.0000000554
 Unscaled step for mode   54=        0.0000000588
 Unscaled step for mode   55=        0.0000001075
 Unscaled step for mode   56=       -0.0000000365
 Unscaled step for mode   57=       -0.0000000348
 Unscaled step for mode   58=       -0.0000001187
 Unscaled step for mode   59=       -0.0000000299
 Unscaled step for mode   60=        0.0000001180
 Unscaled step for mode   61=        0.0000001186
 Unscaled step for mode   62=        0.0000002229
 Unscaled step for mode   63=       -0.0000001596
 Unscaled step for mode   64=        0.0000001029
 Unscaled step for mode   65=        0.0000000105
 Unscaled step for mode   66=       -0.0000001944
 Unscaled step for mode   67=       -0.0000000269
 Unscaled step for mode   68=        0.0000000652
 Unscaled step for mode   69=       -0.0000000268
 Unscaled step for mode   70=       -0.0000001637
 Unscaled step for mode   71=        0.0000000299
 Unscaled step for mode   72=        0.0000003702
 Unscaled step for mode   73=       -0.0000001902
 Unscaled step for mode   74=       -0.0000002953
 Unscaled step for mode   75=        0.0000004299
 Unscaled step for mode   76=        0.0000002975
 Unscaled step for mode   77=        0.0000006429
 Unscaled step for mode   78=       -0.0000000110
 Unscaled step for mode   79=       -0.0000002499
 Unscaled step for mode   80=        0.0000002048
 Unscaled step for mode   81=        0.0000002112
 Unscaled step for mode   82=        0.0000001181
 Unscaled step for mode   83=        0.0000001674
 Unscaled step for mode   84=        0.0000003753
 Unscaled step for mode   85=       -0.0000005296
 Unscaled step for mode   86=       -0.0000003064
 Unscaled step for mode   87=        0.0000004909
 Unscaled step for mode   88=        0.0000000023
 Unscaled step for mode   89=       -0.0000007352
 Unscaled step for mode   90=       -0.0000003654
 Unscaled step for mode   91=       -0.0000000111
 Unscaled step for mode   92=       -0.0000009552
 Unscaled step for mode   93=        0.0000007180
 Unscaled step for mode   94=       -0.0000006750
 Unscaled step for mode   95=       -0.0000006403
 Unscaled step for mode   96=       -0.0000002283
 Unscaled step for mode   97=       -0.0000007959
 Unscaled step for mode   98=        0.0000007141
 Unscaled step for mode   99=        0.0000025609
 Unscaled step for mode  100=        0.0000032611
 Unscaled step for mode  101=        0.0000000229
 Unscaled step for mode  102=        0.0000028417
 Unscaled step for mode  103=        0.0000007784
 Unscaled step for mode  104=       -0.0000019591
 Unscaled step for mode  105=       -0.0000019004
 Unscaled step for mode  106=        0.0000002055
 Unscaled step for mode  107=       -0.0000062150
 Unscaled step for mode  108=       -0.0000022681
 Unscaled step for mode  109=       -0.0000056916
 Unscaled step for mode  110=       -0.0001151443
 Unscaled step for mode  111=       -0.0004104364
 Unscaled step for mode  112=        0.0000209672
 Unscaled step for mode  113=       -0.0018711917
 Unscaled step for mode  114=        0.1073951142
 Largest modulus ratio of non-zero e/values=           158.4701781    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.578964E-16    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.102262E-14    0.100734E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.153870E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.103506E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.618406E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.617372E-15    0.973750E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.193235E-05    0.728036E+03  0.265420E-08 0.100000E-04    0.988933E+00
   8   -0.303217E-05    0.672686E+03  0.450755E-08 0.100000E-04    0.989645E+00
   9    0.527569E-06    0.625842E+03 -0.842974E-09 0.100000E-04    0.991681E+00
  10    0.169024E-05    0.604511E+03 -0.279605E-08 0.100000E-04    0.994856E+00
  11   -0.110578E-05    0.589057E+03  0.187721E-08 0.100000E-04    0.998877E+00
  12    0.130727E-05    0.567806E+03 -0.230231E-08 0.100000E-04    0.961374E+00
  13   -0.268519E-05    0.566061E+03  0.474364E-08 0.100000E-04    0.987937E+00
  14   -0.453322E-05    0.480843E+03  0.942765E-08 0.100000E-04    0.992653E+00
  15    0.179657E-05    0.467067E+03 -0.384649E-08 0.100000E-04    0.996800E+00
  16    0.395910E-05    0.461964E+03 -0.857014E-08 0.100000E-04    0.995424E+00
  17    0.320248E-05    0.441330E+03 -0.725644E-08 0.100000E-04    0.998670E+00
  18    0.454622E-05    0.430371E+03 -0.105635E-07 0.100000E-04    0.998541E+00
  19   -0.125076E-04    0.421390E+03  0.296818E-07 0.100000E-04    0.997195E+00
  20    0.874512E-05    0.407198E+03 -0.214763E-07 0.100000E-04    0.997902E+00
  21    0.711903E-05    0.397814E+03 -0.178954E-07 0.100000E-04    0.999996E+00
  22    0.377114E-05    0.388820E+03 -0.969894E-08 0.100000E-04    0.990006E+00
  23   -0.600358E-06    0.367383E+03  0.163415E-08 0.100000E-04    0.961583E+00
  24    0.450336E-06    0.362541E+03 -0.124217E-08 0.100000E-04    0.957809E+00
  25   -0.153701E-04    0.351492E+03  0.437281E-07 0.100000E-04    0.996666E+00
  26   -0.256009E-04    0.338372E+03  0.756590E-07 0.100000E-04    0.996544E+00
  27   -0.126747E-04    0.325044E+03  0.389938E-07 0.100000E-04    0.995667E+00
  28    0.423154E-05    0.321592E+03 -0.131581E-07 0.100000E-04    0.974906E+00
  29    0.180182E-05    0.319422E+03 -0.564089E-08 0.100000E-04    0.977831E+00
  30   -0.213606E-04    0.315019E+03  0.678074E-07 0.100000E-04    0.996183E+00
  31   -0.794430E-05    0.304764E+03  0.260671E-07 0.100000E-04    0.990355E+00
  32   -0.354260E-05    0.287918E+03  0.123042E-07 0.100000E-04    0.992402E+00
  33    0.859673E-05    0.279254E+03 -0.307847E-07 0.100000E-04    0.997365E+00
  34    0.560598E-05    0.270797E+03 -0.207018E-07 0.100000E-04    0.994056E+00
  35    0.215739E-04    0.266170E+03 -0.810531E-07 0.100000E-04    0.997029E+00
  36    0.996425E-05    0.263461E+03 -0.378206E-07 0.100000E-04    0.990823E+00
  37   -0.125652E-04    0.258576E+03  0.485939E-07 0.100000E-04    0.995201E+00
  38   -0.344605E-05    0.253712E+03  0.135826E-07 0.100000E-04    0.997903E+00
  39   -0.159080E-04    0.242685E+03  0.655500E-07 0.100000E-04    0.997983E+00
  40    0.796404E-05    0.237804E+03 -0.334899E-07 0.100000E-04    0.984529E+00
  41   -0.237431E-04    0.235671E+03  0.100747E-06 0.100000E-04    0.990262E+00
  42   -0.709856E-05    0.228702E+03  0.310385E-07 0.100000E-04    0.992145E+00
  43    0.757557E-05    0.221958E+03 -0.341306E-07 0.100000E-04    0.990080E+00
  44   -0.142792E-04    0.213103E+03  0.670060E-07 0.100000E-04    0.989971E+00
  45    0.233439E-05    0.211838E+03 -0.110197E-07 0.100000E-04    0.977419E+00
  46    0.150964E-04    0.208120E+03 -0.725367E-07 0.100000E-04    0.993253E+00
  47   -0.258512E-04    0.203336E+03  0.127136E-06 0.100000E-04    0.996157E+00
  48    0.209763E-05    0.197974E+03 -0.105955E-07 0.100000E-04    0.987903E+00
  49   -0.172140E-04    0.195490E+03  0.880557E-07 0.100000E-04    0.993781E+00
  50   -0.865728E-05    0.191598E+03  0.451846E-07 0.100000E-04    0.996596E+00
  51   -0.113477E-04    0.185175E+03  0.612808E-07 0.100000E-04    0.993806E+00
  52   -0.894335E-06    0.176159E+03  0.507687E-08 0.100000E-04    0.967416E+00
  53   -0.949513E-05    0.171318E+03  0.554240E-07 0.100000E-04    0.996660E+00
  54   -0.985651E-05    0.167679E+03  0.587822E-07 0.100000E-04    0.990805E+00
  55   -0.177916E-04    0.165488E+03  0.107510E-06 0.100000E-04    0.997505E+00
  56    0.582991E-05    0.159811E+03 -0.364800E-07 0.100000E-04    0.999984E+00
  57    0.534553E-05    0.153588E+03 -0.348044E-07 0.100000E-04    0.992978E+00
  58    0.179195E-04    0.150986E+03 -0.118684E-06 0.100000E-04    0.995451E+00
  59    0.446552E-05    0.149124E+03 -0.299449E-07 0.100000E-04    0.990363E+00
  60   -0.168740E-04    0.143048E+03  0.117960E-06 0.100000E-04    0.995388E+00
  61   -0.162449E-04    0.136976E+03  0.118597E-06 0.100000E-04    0.995474E+00
  62   -0.301907E-04    0.135445E+03  0.222901E-06 0.100000E-04    0.999361E+00
  63    0.208795E-04    0.130817E+03 -0.159608E-06 0.100000E-04    0.999664E+00
  64   -0.131434E-04    0.127736E+03  0.102895E-06 0.100000E-04    0.990023E+00
  65   -0.132407E-05    0.126061E+03  0.105035E-07 0.100000E-04    0.955583E+00
  66    0.243850E-04    0.125419E+03 -0.194428E-06 0.100000E-04    0.998899E+00
  67    0.321323E-05    0.119577E+03 -0.268717E-07 0.100000E-04    0.980653E+00
  68   -0.769790E-05    0.117990E+03  0.652420E-07 0.100000E-04    0.998126E+00
  69    0.313675E-05    0.116844E+03 -0.268457E-07 0.100000E-04    0.995764E+00
  70    0.182650E-04    0.111596E+03 -0.163670E-06 0.100000E-04    0.993071E+00
  71   -0.325452E-05    0.108751E+03  0.299263E-07 0.100000E-04    0.990337E+00
  72   -0.388878E-04    0.105040E+03  0.370219E-06 0.100000E-04    0.995832E+00
  73    0.195849E-04    0.102983E+03 -0.190177E-06 0.100000E-04    0.994731E+00
  74    0.295186E-04    0.999577E+02 -0.295311E-06 0.100000E-04    0.999493E+00
  75   -0.415231E-04    0.965888E+02  0.429895E-06 0.100000E-04    0.992433E+00
  76   -0.282973E-04    0.951200E+02  0.297491E-06 0.100000E-04    0.999691E+00
  77   -0.590440E-04    0.918333E+02  0.642948E-06 0.100000E-04    0.997762E+00
  78    0.993099E-06    0.904988E+02 -0.109736E-07 0.100000E-04    0.956023E+00
  79    0.223982E-04    0.896364E+02 -0.249878E-06 0.100000E-04    0.990289E+00
  80   -0.173555E-04    0.847431E+02  0.204801E-06 0.100000E-04    0.995816E+00
  81   -0.170922E-04    0.809103E+02  0.211249E-06 0.100000E-04    0.996904E+00
  82   -0.940026E-05    0.795766E+02  0.118128E-06 0.100000E-04    0.985216E+00
  83   -0.131306E-04    0.784185E+02  0.167443E-06 0.100000E-04    0.994417E+00
  84   -0.272964E-04    0.727342E+02  0.375289E-06 0.100000E-04    0.996721E+00
  85    0.380397E-04    0.718255E+02 -0.529613E-06 0.100000E-04    0.998986E+00
  86    0.209361E-04    0.683235E+02 -0.306426E-06 0.100000E-04    0.981719E+00
  87   -0.331882E-04    0.676103E+02  0.490875E-06 0.100000E-04    0.991596E+00
  88   -0.143622E-06    0.633695E+02  0.226642E-08 0.109000E-04    0.197218E+00
  89    0.448479E-04    0.610037E+02 -0.735168E-06 0.100000E-04    0.997435E+00
  90    0.218023E-04    0.596637E+02 -0.365419E-06 0.100000E-04    0.999936E+00
  91    0.651600E-06    0.589559E+02 -0.110523E-07 0.100000E-04    0.981627E+00
  92    0.534460E-04    0.559529E+02 -0.955196E-06 0.100000E-04    0.996921E+00
  93   -0.381520E-04    0.531330E+02  0.718048E-06 0.100000E-04    0.997198E+00
  94    0.352551E-04    0.522299E+02 -0.674999E-06 0.100000E-04    0.997298E+00
  95    0.321428E-04    0.501977E+02 -0.640323E-06 0.100000E-04    0.996262E+00
  96    0.109214E-04    0.478331E+02 -0.228323E-06 0.100000E-04    0.996492E+00
  97    0.342734E-04    0.430638E+02 -0.795875E-06 0.100000E-04    0.999981E+00
  98   -0.286884E-04    0.401747E+02  0.714090E-06 0.100000E-04    0.995665E+00
  99   -0.949542E-04    0.370782E+02  0.256091E-05 0.100000E-04    0.997292E+00
 100   -0.116635E-03    0.357660E+02  0.326105E-05 0.100000E-04    0.998440E+00
 101   -0.814643E-06    0.355926E+02  0.228880E-07 0.100000E-04    0.807591E+00
 102   -0.820358E-04    0.288681E+02  0.284175E-05 0.100000E-04    0.997617E+00
 103   -0.223671E-04    0.287350E+02  0.778393E-06 0.100000E-04    0.980278E+00
 104    0.552930E-04    0.282237E+02 -0.195910E-05 0.100000E-04    0.996984E+00
 105    0.435752E-04    0.229298E+02 -0.190037E-05 0.100000E-04    0.997054E+00
 106   -0.448471E-05    0.218274E+02  0.205462E-06 0.100000E-04    0.944704E+00
 107    0.124169E-03    0.199790E+02 -0.621497E-05 0.100000E-04    0.998491E+00
 108    0.381529E-04    0.168214E+02 -0.226812E-05 0.100000E-04    0.994342E+00
 109    0.783742E-04    0.137701E+02 -0.569164E-05 0.100000E-04    0.998988E+00
 110    0.141632E-02    0.123004E+02 -0.100000E-04 0.100000E-04    0.695002E+00
 111    0.408251E-02    0.994675E+01 -0.100000E-04 0.100000E-04    0.428906E+00
 112   -0.200769E-03    0.957539E+01  0.100000E-04 0.100000E-04    0.681056E+00
 113    0.140600E-01    0.751390E+01 -0.136999E-04 0.136999E-04    0.168719E+00
 114    0.499146E+00    0.459415E+01  0.400000E-03 0.400000E-03    0.331368E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1073951142    

 Beginning of optimization cycle  243.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3765585447
 potential> RMS force:                                               0.0469412181   |gradient|=.5011950588    
 Eigenvalues of the Hessian matrix:
   728.09651    672.69873    625.85617    604.51067    589.04900    567.84557 
   566.07585    480.86516    467.04389    461.95598    441.33037    430.36238 
   421.39601    407.20770    397.80950    388.82137    367.38796    362.53113 
   351.48417    338.34152    325.05232    321.59037    319.43452    314.99067 
   304.75685    287.92378    279.24819    270.79437    266.17695    263.47123 
   258.58565    253.71425    242.67934    237.79882    235.67384    228.70162 
   221.93828    213.11026    211.84294    208.10889    203.33923    197.96961 
   195.48891    191.59749    185.16520    176.14547    171.32399    167.67531 
   165.48446    159.80345    153.59076    150.98743    149.12283    143.05070 
   136.97671    135.44981    130.81568    127.73842    126.06072    125.42336 
   119.57851    117.99077    116.84635    111.58929    108.74026    105.03668 
   102.98461     99.95483     96.58072     95.11954     91.84476     90.49442 
    89.64328     84.74582     80.91051     79.57957     78.41679     72.73357 
    71.82941     68.32193     67.60103     63.36876     60.99350     59.66418 
    58.95789     55.95420     53.12860     52.23006     50.19631     47.83083 
    43.06068     40.17688     37.08104     35.77200     35.58298     28.86728 
    28.73443     28.21544     22.92882     21.82419     19.98354     16.82157 
    13.77006     12.29936      9.93983      9.57248      7.51153      4.59083 
overlap for current and previous eigenvector    109 is         0.9999993232
overlap for current and previous eigenvector    110 is         0.9999992251
overlap for current and previous eigenvector    111 is         0.9998463997
overlap for current and previous eigenvector    112 is         0.9998459676
overlap for current and previous eigenvector    113 is         0.9999968236
overlap for current and previous eigenvector    114 is         0.9999996437
J1,K1,R1,R2,RAT=   7   7   -0.1101811136E-01     2.010851260        0.9889818886    
FOB,PFOB,DIAG,PSTEP=   -0.1953645698E-05   -0.1932353041E-05     728.0965108        0.2654200691E-08
J1,K1,R1,R2,RAT=   8   8   -0.1060331851E-01     2.010566768        0.9893966815    
FOB,PFOB,DIAG,PSTEP=   -0.3064318958E-05   -0.3032167335E-05     672.6987299        0.4507549390E-08
J1,K1,R1,R2,RAT=   9   9    0.7760516948E-02     1.992194704        0.9921947042    
FOB,PFOB,DIAG,PSTEP=    0.5234744483E-06    0.5275687462E-06     625.8561657       -0.8429741326E-09
J1,K1,R1,R2,RAT=  10  10    0.5263960620E-02     1.994736600        0.9947360394    
FOB,PFOB,DIAG,PSTEP=    0.1681346596E-05    0.1690243971E-05     604.5106724       -0.2796052369E-08
J1,K1,R1,R2,RAT=  11  11    0.1283087664E-02     1.998743105        0.9987169123    
FOB,PFOB,DIAG,PSTEP=   -0.1104364333E-05   -0.1105783131E-05     589.0490030        0.1877209950E-08
J1,K1,R1,R2,RAT= 109 109   -0.1065438922E-02     2.001066739        0.9989345611    
FOB,PFOB,DIAG,PSTEP=    0.7845771523E-04    0.7837421235E-04     13.77005773       -0.5691636372E-05
J1,K1,R1,R2,RAT= 110 110   -0.3041461999         23.33492687        0.6958538001    
FOB,PFOB,DIAG,PSTEP=    0.1453727217E-02    0.1416319184E-02     12.29935889       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5695293669         82.71398977        0.4304706331    
FOB,PFOB,DIAG,PSTEP=    0.4139119514E-02    0.4082509271E-02     9.939828569       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.3840944767         4.578803934        0.6159055233    
FOB,PFOB,DIAG,PSTEP=   -0.2375362859E-03   -0.2007689101E-03     9.572482296        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.6912735524         273.9476050        0.3087264476    
FOB,PFOB,DIAG,PSTEP=    0.1413113075E-01    0.1405999387E-01     7.511533839       -0.1369986430E-04
J1,K1,R1,R2,RAT= 114 114    0.9966486994        -544.6308034        0.3351300642E-02
FOB,PFOB,DIAG,PSTEP=    0.5009764501        0.4991462726         4.590828854        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001      0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000      0.00002 
     0.00002      0.00003      0.00002     -0.00001      0.00000     -0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00004 
     0.00002      0.00003     -0.00004     -0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002     -0.00001     -0.00001     -0.00003 
     0.00004      0.00002     -0.00003     -0.00000     -0.00004     -0.00002 
     0.00000      0.00005     -0.00004     -0.00004     -0.00003     -0.00001 
    -0.00003      0.00003      0.00010      0.00012      0.00000      0.00008 
     0.00002     -0.00006     -0.00004      0.00000     -0.00012      0.00004 
     0.00008      0.00145      0.00414     -0.00024      0.01413      0.50098 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4358543263
 Log product of positive Hessian eigenvalues =          520.1084955524
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5908288536
 Unscaled step for mode    7=        0.0000000027
 Unscaled step for mode    8=        0.0000000046
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000022
 Unscaled step for mode   13=        0.0000000048
 Unscaled step for mode   14=        0.0000000094
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000086
 Unscaled step for mode   17=       -0.0000000073
 Unscaled step for mode   18=       -0.0000000106
 Unscaled step for mode   19=        0.0000000298
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=       -0.0000000098
 Unscaled step for mode   23=        0.0000000016
 Unscaled step for mode   24=       -0.0000000012
 Unscaled step for mode   25=        0.0000000439
 Unscaled step for mode   26=        0.0000000759
 Unscaled step for mode   27=        0.0000000392
 Unscaled step for mode   28=       -0.0000000135
 Unscaled step for mode   29=       -0.0000000058
 Unscaled step for mode   30=        0.0000000681
 Unscaled step for mode   31=        0.0000000263
 Unscaled step for mode   32=        0.0000000124
 Unscaled step for mode   33=       -0.0000000309
 Unscaled step for mode   34=       -0.0000000208
 Unscaled step for mode   35=       -0.0000000813
 Unscaled step for mode   36=       -0.0000000382
 Unscaled step for mode   37=        0.0000000488
 Unscaled step for mode   38=        0.0000000136
 Unscaled step for mode   39=        0.0000000657
 Unscaled step for mode   40=       -0.0000000329
 Unscaled step for mode   41=        0.0000001017
 Unscaled step for mode   42=        0.0000000313
 Unscaled step for mode   43=       -0.0000000345
 Unscaled step for mode   44=        0.0000000677
 Unscaled step for mode   45=       -0.0000000107
 Unscaled step for mode   46=       -0.0000000730
 Unscaled step for mode   47=        0.0000001276
 Unscaled step for mode   48=       -0.0000000107
 Unscaled step for mode   49=        0.0000000886
 Unscaled step for mode   50=        0.0000000450
 Unscaled step for mode   51=        0.0000000617
 Unscaled step for mode   52=        0.0000000052
 Unscaled step for mode   53=        0.0000000556
 Unscaled step for mode   54=        0.0000000593
 Unscaled step for mode   55=        0.0000001078
 Unscaled step for mode   56=        0.0000000365
 Unscaled step for mode   57=        0.0000000350
 Unscaled step for mode   58=       -0.0000001192
 Unscaled step for mode   59=        0.0000000297
 Unscaled step for mode   60=       -0.0000001185
 Unscaled step for mode   61=       -0.0000001191
 Unscaled step for mode   62=       -0.0000002230
 Unscaled step for mode   63=       -0.0000001596
 Unscaled step for mode   64=        0.0000001039
 Unscaled step for mode   65=       -0.0000000110
 Unscaled step for mode   66=        0.0000001946
 Unscaled step for mode   67=        0.0000000274
 Unscaled step for mode   68=       -0.0000000654
 Unscaled step for mode   69=        0.0000000270
 Unscaled step for mode   70=        0.0000001648
 Unscaled step for mode   71=        0.0000000302
 Unscaled step for mode   72=        0.0000003717
 Unscaled step for mode   73=       -0.0000001912
 Unscaled step for mode   74=       -0.0000002952
 Unscaled step for mode   75=        0.0000004332
 Unscaled step for mode   76=        0.0000002976
 Unscaled step for mode   77=        0.0000006443
 Unscaled step for mode   78=       -0.0000000105
 Unscaled step for mode   79=       -0.0000002474
 Unscaled step for mode   80=        0.0000002057
 Unscaled step for mode   81=        0.0000002119
 Unscaled step for mode   82=        0.0000001163
 Unscaled step for mode   83=        0.0000001684
 Unscaled step for mode   84=        0.0000003765
 Unscaled step for mode   85=       -0.0000005301
 Unscaled step for mode   86=       -0.0000003008
 Unscaled step for mode   87=        0.0000004948
 Unscaled step for mode   88=        0.0000000033
 Unscaled step for mode   89=        0.0000007370
 Unscaled step for mode   90=        0.0000003653
 Unscaled step for mode   91=       -0.0000000109
 Unscaled step for mode   92=       -0.0000009582
 Unscaled step for mode   93=        0.0000007159
 Unscaled step for mode   94=        0.0000006768
 Unscaled step for mode   95=        0.0000006379
 Unscaled step for mode   96=        0.0000002293
 Unscaled step for mode   97=        0.0000007957
 Unscaled step for mode   98=       -0.0000007173
 Unscaled step for mode   99=       -0.0000025672
 Unscaled step for mode  100=       -0.0000032564
 Unscaled step for mode  101=       -0.0000000181
 Unscaled step for mode  102=       -0.0000028481
 Unscaled step for mode  103=       -0.0000007626
 Unscaled step for mode  104=        0.0000019647
 Unscaled step for mode  105=        0.0000019046
 Unscaled step for mode  106=       -0.0000001909
 Unscaled step for mode  107=        0.0000062074
 Unscaled step for mode  108=       -0.0000022580
 Unscaled step for mode  109=       -0.0000056977
 Unscaled step for mode  110=       -0.0001181954
 Unscaled step for mode  111=       -0.0004164175
 Unscaled step for mode  112=        0.0000248145
 Unscaled step for mode  113=       -0.0018812510
 Unscaled step for mode  114=        0.1078560417
 Largest modulus ratio of non-zero e/values=           158.5980515    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.333501E-15    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.733788E-15    0.100734E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.476907E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.121387E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.621701E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.755309E-15    0.973752E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.195365E-05    0.728097E+03  0.268322E-08 0.100000E-04    0.988982E+00
   8   -0.306432E-05    0.672699E+03  0.455526E-08 0.100000E-04    0.989397E+00
   9    0.523474E-06    0.625856E+03 -0.836413E-09 0.100000E-04    0.992195E+00
  10    0.168135E-05    0.604511E+03 -0.278133E-08 0.100000E-04    0.994736E+00
  11   -0.110436E-05    0.589049E+03  0.187483E-08 0.100000E-04    0.998717E+00
  12    0.125483E-05    0.567846E+03 -0.220980E-08 0.100000E-04    0.959750E+00
  13   -0.271765E-05    0.566076E+03  0.480085E-08 0.100000E-04    0.987912E+00
  14   -0.449905E-05    0.480865E+03  0.935615E-08 0.100000E-04    0.992369E+00
  15    0.180336E-05    0.467044E+03 -0.386123E-08 0.100000E-04    0.996217E+00
  16    0.397723E-05    0.461956E+03 -0.860954E-08 0.100000E-04    0.995421E+00
  17    0.320701E-05    0.441330E+03 -0.726670E-08 0.100000E-04    0.998585E+00
  18    0.455315E-05    0.430362E+03 -0.105798E-07 0.100000E-04    0.998475E+00
  19   -0.125422E-04    0.421396E+03  0.297634E-07 0.100000E-04    0.997238E+00
  20    0.872588E-05    0.407208E+03 -0.214286E-07 0.100000E-04    0.997753E+00
  21    0.711796E-05    0.397810E+03 -0.178929E-07 0.100000E-04    0.999850E+00
  22    0.380837E-05    0.388821E+03 -0.979466E-08 0.100000E-04    0.990127E+00
  23   -0.576244E-06    0.367388E+03  0.156849E-08 0.100000E-04    0.959809E+00
  24    0.430750E-06    0.362531E+03 -0.118818E-08 0.100000E-04    0.956508E+00
  25   -0.154224E-04    0.351484E+03  0.438779E-07 0.100000E-04    0.996596E+00
  26   -0.256858E-04    0.338342E+03  0.759168E-07 0.100000E-04    0.996683E+00
  27   -0.127283E-04    0.325052E+03  0.391576E-07 0.100000E-04    0.995774E+00
  28    0.433364E-05    0.321590E+03 -0.134757E-07 0.100000E-04    0.975871E+00
  29    0.183962E-05    0.319435E+03 -0.575898E-08 0.100000E-04    0.979026E+00
  30   -0.214459E-04    0.314991E+03  0.680842E-07 0.100000E-04    0.996007E+00
  31   -0.802030E-05    0.304757E+03  0.263171E-07 0.100000E-04    0.990433E+00
  32   -0.356956E-05    0.287924E+03  0.123976E-07 0.100000E-04    0.992390E+00
  33    0.861783E-05    0.279248E+03 -0.308608E-07 0.100000E-04    0.997546E+00
  34    0.563705E-05    0.270794E+03 -0.208167E-07 0.100000E-04    0.994458E+00
  35    0.216410E-04    0.266177E+03 -0.813029E-07 0.100000E-04    0.996893E+00
  36    0.100578E-04    0.263471E+03 -0.381742E-07 0.100000E-04    0.990612E+00
  37   -0.126258E-04    0.258586E+03  0.488263E-07 0.100000E-04    0.995183E+00
  38   -0.344091E-05    0.253714E+03  0.135621E-07 0.100000E-04    0.998486E+00
  39   -0.159377E-04    0.242679E+03  0.656740E-07 0.100000E-04    0.998133E+00
  40    0.783416E-05    0.237799E+03 -0.329445E-07 0.100000E-04    0.983691E+00
  41   -0.239735E-04    0.235674E+03  0.101723E-06 0.100000E-04    0.990298E+00
  42   -0.715762E-05    0.228702E+03  0.312968E-07 0.100000E-04    0.991680E+00
  43    0.765145E-05    0.221938E+03 -0.344756E-07 0.100000E-04    0.989982E+00
  44   -0.144256E-04    0.213110E+03  0.676907E-07 0.100000E-04    0.989750E+00
  45    0.227609E-05    0.211843E+03 -0.107442E-07 0.100000E-04    0.974979E+00
  46    0.151993E-04    0.208109E+03 -0.730355E-07 0.100000E-04    0.993179E+00
  47   -0.259525E-04    0.203339E+03  0.127632E-06 0.100000E-04    0.996082E+00
  48    0.212309E-05    0.197970E+03 -0.107243E-07 0.100000E-04    0.987859E+00
  49   -0.173226E-04    0.195489E+03  0.886115E-07 0.100000E-04    0.993694E+00
  50   -0.862121E-05    0.191597E+03  0.449965E-07 0.100000E-04    0.995834E+00
  51   -0.114189E-04    0.185165E+03  0.616689E-07 0.100000E-04    0.993722E+00
  52   -0.924095E-06    0.176145E+03  0.524620E-08 0.100000E-04    0.966721E+00
  53   -0.952673E-05    0.171324E+03  0.556065E-07 0.100000E-04    0.996672E+00
  54   -0.994807E-05    0.167675E+03  0.593294E-07 0.100000E-04    0.990711E+00
  55   -0.178400E-04    0.165484E+03  0.107805E-06 0.100000E-04    0.997281E+00
  56   -0.582840E-05    0.159803E+03  0.364723E-07 0.100000E-04    0.999741E+00
  57   -0.538324E-05    0.153591E+03  0.350493E-07 0.100000E-04    0.992946E+00
  58    0.180027E-04    0.150987E+03 -0.119233E-06 0.100000E-04    0.995361E+00
  59   -0.442411E-05    0.149123E+03  0.296675E-07 0.100000E-04    0.990727E+00
  60    0.169548E-04    0.143051E+03 -0.118523E-06 0.100000E-04    0.995210E+00
  61    0.163168E-04    0.136977E+03 -0.119121E-06 0.100000E-04    0.995572E+00
  62    0.302089E-04    0.135450E+03 -0.223026E-06 0.100000E-04    0.999397E+00
  63    0.208814E-04    0.130816E+03 -0.159624E-06 0.100000E-04    0.999912E+00
  64   -0.132739E-04    0.127738E+03  0.103915E-06 0.100000E-04    0.990068E+00
  65    0.138300E-05    0.126061E+03 -0.109709E-07 0.100000E-04    0.955492E+00
  66   -0.244094E-04    0.125423E+03  0.194616E-06 0.100000E-04    0.999000E+00
  67   -0.327945E-05    0.119579E+03  0.274250E-07 0.100000E-04    0.979394E+00
  68    0.771373E-05    0.117991E+03 -0.653757E-07 0.100000E-04    0.997945E+00
  69   -0.314986E-05    0.116846E+03  0.269573E-07 0.100000E-04    0.995820E+00
  70   -0.183949E-04    0.111589E+03  0.164845E-06 0.100000E-04    0.992885E+00
  71   -0.328455E-05    0.108740E+03  0.302054E-07 0.100000E-04    0.990772E+00
  72   -0.390441E-04    0.105037E+03  0.371719E-06 0.100000E-04    0.995981E+00
  73    0.196893E-04    0.102985E+03 -0.191186E-06 0.100000E-04    0.994674E+00
  74    0.295027E-04    0.999548E+02 -0.295161E-06 0.100000E-04    0.999463E+00
  75   -0.418398E-04    0.965807E+02  0.433211E-06 0.100000E-04    0.992370E+00
  76   -0.283055E-04    0.951195E+02  0.297578E-06 0.100000E-04    0.999711E+00
  77   -0.591777E-04    0.918448E+02  0.644323E-06 0.100000E-04    0.997736E+00
  78    0.946635E-06    0.904944E+02 -0.104607E-07 0.100000E-04    0.953210E+00
  79    0.221802E-04    0.896433E+02 -0.247428E-06 0.100000E-04    0.990116E+00
  80   -0.174300E-04    0.847458E+02  0.205673E-06 0.100000E-04    0.995708E+00
  81   -0.171453E-04    0.809105E+02  0.211904E-06 0.100000E-04    0.996897E+00
  82   -0.925787E-05    0.795796E+02  0.116335E-06 0.100000E-04    0.984779E+00
  83   -0.132069E-04    0.784168E+02  0.168420E-06 0.100000E-04    0.994187E+00
  84   -0.273840E-04    0.727336E+02  0.376498E-06 0.100000E-04    0.996788E+00
  85    0.380732E-04    0.718294E+02 -0.530051E-06 0.100000E-04    0.999118E+00
  86    0.205481E-04    0.683219E+02 -0.300754E-06 0.100000E-04    0.981469E+00
  87   -0.334504E-04    0.676010E+02  0.494821E-06 0.100000E-04    0.992098E+00
  88   -0.210524E-06    0.633688E+02  0.332220E-08 0.100000E-04    0.534177E+00
  89   -0.449495E-04    0.609935E+02  0.736956E-06 0.100000E-04    0.997734E+00
  90   -0.217945E-04    0.596642E+02  0.365287E-06 0.100000E-04    0.999629E+00
  91    0.641062E-06    0.589579E+02 -0.108732E-07 0.100000E-04    0.983761E+00
  92    0.536168E-04    0.559542E+02 -0.958227E-06 0.100000E-04    0.996804E+00
  93   -0.380357E-04    0.531286E+02  0.715918E-06 0.100000E-04    0.996951E+00
  94   -0.353514E-04    0.522301E+02  0.676840E-06 0.100000E-04    0.997268E+00
  95   -0.320195E-04    0.501963E+02  0.637886E-06 0.100000E-04    0.996165E+00
  96   -0.109675E-04    0.478308E+02  0.229298E-06 0.100000E-04    0.995777E+00
  97   -0.342629E-04    0.430607E+02  0.795688E-06 0.100000E-04    0.999694E+00
  98    0.288185E-04    0.401769E+02 -0.717292E-06 0.100000E-04    0.995463E+00
  99    0.951933E-04    0.370810E+02 -0.256717E-05 0.100000E-04    0.997483E+00
 100    0.116488E-03    0.357720E+02 -0.325639E-05 0.100000E-04    0.998404E+00
 101    0.642981E-06    0.355830E+02 -0.180699E-07 0.100000E-04    0.789223E+00
 102    0.822174E-04    0.288673E+02 -0.284812E-05 0.100000E-04    0.997787E+00
 103    0.219141E-04    0.287344E+02 -0.762644E-06 0.100000E-04    0.979748E+00
 104   -0.554357E-04    0.282154E+02  0.196473E-05 0.100000E-04    0.997420E+00
 105   -0.436695E-04    0.229288E+02  0.190457E-05 0.100000E-04    0.997836E+00
 106    0.416578E-05    0.218242E+02 -0.190879E-06 0.100000E-04    0.928876E+00
 107   -0.124046E-03    0.199835E+02  0.620740E-05 0.100000E-04    0.998552E+00
 108    0.379826E-04    0.168216E+02 -0.225797E-05 0.100000E-04    0.995512E+00
 109    0.784577E-04    0.137701E+02 -0.569770E-05 0.100000E-04    0.998935E+00
 110    0.145373E-02    0.122994E+02 -0.100000E-04 0.100000E-04    0.695854E+00
 111    0.413912E-02    0.993983E+01 -0.100000E-04 0.100000E-04    0.430471E+00
 112   -0.237536E-03    0.957248E+01  0.100000E-04 0.100000E-04    0.615906E+00
 113    0.141311E-01    0.751153E+01 -0.123422E-04 0.123422E-04    0.308726E+00
 114    0.500976E+00    0.459083E+01  0.400000E-03 0.400000E-03    0.335130E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1078560417    

 Beginning of optimization cycle  244.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3763580190
 potential> RMS force:                                               0.0471126974   |gradient|=.5030259573    
 Eigenvalues of the Hessian matrix:
   728.15731    672.71108    625.87017    604.51029    589.04134    567.88511 
   566.09094    480.88768    467.02084    461.94748    441.33069    430.35403 
   421.40179    407.21738    397.80520    388.82258    367.39271    362.52168 
   351.47645    338.31093    325.06041    321.58860    319.44743    314.96229 
   304.74989    287.92996    279.24257    270.79142    266.18367    263.48110 
   258.59479    253.71697    242.67352    237.79363    235.67657    228.70097 
   221.91821    213.11708    211.84762    208.09753    203.34227    197.96531 
   195.48754    191.59714    185.15493    176.13210    171.33010    167.67207 
   165.48103    159.79558    153.59379    150.98922    149.12117    143.05348 
   136.97749    135.45495    130.81399    127.74071    126.06085    125.42764 
   119.58028    117.99148    116.84882    111.58223    108.72943    105.03324 
   102.98622     99.95196     96.57267     95.11904     91.85629     90.49007 
    89.65005     84.74849     80.91072     79.58251     78.41510     72.73304 
    71.83337     68.32048     67.59166     63.36798     60.98339     59.66462 
    58.95987     55.95549     53.12424     52.23029     50.19489     47.82857 
    43.05761     40.17908     37.08389     35.77798     35.57337     28.86646 
    28.73388     28.20716     22.92783     21.82090     19.98816     16.82178 
    13.77006     12.29834      9.93315      9.56936      7.50915      4.58749 
overlap for current and previous eigenvector    109 is         0.9999993303
overlap for current and previous eigenvector    110 is         0.9999992313
overlap for current and previous eigenvector    111 is         0.9998408817
overlap for current and previous eigenvector    112 is         0.9998403209
overlap for current and previous eigenvector    113 is         0.9999967846
overlap for current and previous eigenvector    114 is         0.9999996462
J1,K1,R1,R2,RAT=   7   7   -0.1248600677E-01     2.012319016        0.9875139932    
FOB,PFOB,DIAG,PSTEP=   -0.1978040968E-05   -0.1953645698E-05     728.1573085        0.2683223541E-08
J1,K1,R1,R2,RAT=   8   8   -0.9267431070E-03     2.000890023        0.9990732569    
FOB,PFOB,DIAG,PSTEP=   -0.3067158847E-05   -0.3064318958E-05     672.7110808        0.4555261994E-08
J1,K1,R1,R2,RAT=   9   9    0.1301036641E-01     1.986944896        0.9869448962    
FOB,PFOB,DIAG,PSTEP=    0.5166637016E-06    0.5234744483E-06     625.8701656       -0.8364133439E-09
J1,K1,R1,R2,RAT=  10  10   -0.1027873515E-01     2.010280004        0.9897212648    
FOB,PFOB,DIAG,PSTEP=    0.1698628701E-05    0.1681346596E-05     604.5102890       -0.2781334843E-08
J1,K1,R1,R2,RAT=  11  11   -0.6381850462E-02     2.006407863        0.9936181495    
FOB,PFOB,DIAG,PSTEP=   -0.1111412129E-05   -0.1104364333E-05     589.0413417        0.1874825910E-08
J1,K1,R1,R2,RAT= 109 109    0.9707537923E-03     1.999029349        0.9990292462    
FOB,PFOB,DIAG,PSTEP=    0.7838155211E-04    0.7845771523E-04     13.77005702       -0.5697704163E-05
J1,K1,R1,R2,RAT= 110 110   -0.3143419837         23.95537310        0.6856580163    
FOB,PFOB,DIAG,PSTEP=    0.1492386063E-02    0.1453727217E-02     12.29834020       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5442965996         83.88380460        0.4557034004    
FOB,PFOB,DIAG,PSTEP=    0.4193185316E-02    0.4139119514E-02     9.933150828       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4241442404         5.388662075        0.5758557596    
FOB,PFOB,DIAG,PSTEP=   -0.2781241741E-03   -0.2375362859E-03     9.569359756        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8660630139         305.8121509        0.1339369861    
FOB,PFOB,DIAG,PSTEP=    0.1421139707E-01    0.1413113075E-01     7.509146159       -0.1234222009E-04
J1,K1,R1,R2,RAT= 114 114    0.9966506207        -547.0212435        0.3349379292E-02
FOB,PFOB,DIAG,PSTEP=    0.5028052999        0.5009764501         4.587489800        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002     -0.00001      0.00000     -0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000      0.00004 
    -0.00002      0.00003     -0.00004     -0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001     -0.00001      0.00003 
     0.00004      0.00002     -0.00003     -0.00000     -0.00005     -0.00002 
     0.00000      0.00005     -0.00004     -0.00004     -0.00003     -0.00001 
    -0.00003      0.00003      0.00010     -0.00012     -0.00000     -0.00008 
    -0.00002      0.00006     -0.00004      0.00000     -0.00012      0.00004 
     0.00008      0.00149      0.00419     -0.00028      0.01421      0.50281 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4357718331
 Log product of positive Hessian eigenvalues =          520.1055151415
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5874898000
 Unscaled step for mode    7=        0.0000000027
 Unscaled step for mode    8=        0.0000000046
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000022
 Unscaled step for mode   13=        0.0000000048
 Unscaled step for mode   14=        0.0000000093
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000087
 Unscaled step for mode   17=       -0.0000000073
 Unscaled step for mode   18=       -0.0000000106
 Unscaled step for mode   19=        0.0000000299
 Unscaled step for mode   20=       -0.0000000215
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=        0.0000000099
 Unscaled step for mode   23=        0.0000000016
 Unscaled step for mode   24=       -0.0000000011
 Unscaled step for mode   25=        0.0000000440
 Unscaled step for mode   26=        0.0000000762
 Unscaled step for mode   27=        0.0000000393
 Unscaled step for mode   28=       -0.0000000138
 Unscaled step for mode   29=       -0.0000000060
 Unscaled step for mode   30=        0.0000000682
 Unscaled step for mode   31=        0.0000000265
 Unscaled step for mode   32=        0.0000000125
 Unscaled step for mode   33=       -0.0000000310
 Unscaled step for mode   34=       -0.0000000210
 Unscaled step for mode   35=       -0.0000000814
 Unscaled step for mode   36=       -0.0000000385
 Unscaled step for mode   37=        0.0000000491
 Unscaled step for mode   38=        0.0000000135
 Unscaled step for mode   39=        0.0000000659
 Unscaled step for mode   40=       -0.0000000323
 Unscaled step for mode   41=        0.0000001026
 Unscaled step for mode   42=        0.0000000314
 Unscaled step for mode   43=       -0.0000000347
 Unscaled step for mode   44=        0.0000000680
 Unscaled step for mode   45=       -0.0000000108
 Unscaled step for mode   46=       -0.0000000734
 Unscaled step for mode   47=        0.0000001279
 Unscaled step for mode   48=       -0.0000000109
 Unscaled step for mode   49=        0.0000000889
 Unscaled step for mode   50=        0.0000000454
 Unscaled step for mode   51=        0.0000000619
 Unscaled step for mode   52=        0.0000000053
 Unscaled step for mode   53=        0.0000000558
 Unscaled step for mode   54=        0.0000000597
 Unscaled step for mode   55=        0.0000001080
 Unscaled step for mode   56=        0.0000000366
 Unscaled step for mode   57=        0.0000000354
 Unscaled step for mode   58=       -0.0000001198
 Unscaled step for mode   59=        0.0000000291
 Unscaled step for mode   60=        0.0000001188
 Unscaled step for mode   61=       -0.0000001202
 Unscaled step for mode   62=       -0.0000002235
 Unscaled step for mode   63=       -0.0000001604
 Unscaled step for mode   64=        0.0000001049
 Unscaled step for mode   65=       -0.0000000118
 Unscaled step for mode   66=        0.0000001953
 Unscaled step for mode   67=        0.0000000274
 Unscaled step for mode   68=       -0.0000000656
 Unscaled step for mode   69=        0.0000000274
 Unscaled step for mode   70=        0.0000001652
 Unscaled step for mode   71=        0.0000000304
 Unscaled step for mode   72=       -0.0000003741
 Unscaled step for mode   73=        0.0000001921
 Unscaled step for mode   74=       -0.0000002958
 Unscaled step for mode   75=        0.0000004363
 Unscaled step for mode   76=        0.0000002974
 Unscaled step for mode   77=        0.0000006454
 Unscaled step for mode   78=       -0.0000000101
 Unscaled step for mode   79=       -0.0000002461
 Unscaled step for mode   80=        0.0000002063
 Unscaled step for mode   81=        0.0000002127
 Unscaled step for mode   82=       -0.0000001155
 Unscaled step for mode   83=        0.0000001684
 Unscaled step for mode   84=       -0.0000003792
 Unscaled step for mode   85=       -0.0000005329
 Unscaled step for mode   86=       -0.0000002957
 Unscaled step for mode   87=        0.0000004990
 Unscaled step for mode   88=        0.0000000032
 Unscaled step for mode   89=        0.0000007402
 Unscaled step for mode   90=        0.0000003684
 Unscaled step for mode   91=       -0.0000000107
 Unscaled step for mode   92=       -0.0000009601
 Unscaled step for mode   93=        0.0000007165
 Unscaled step for mode   94=        0.0000006807
 Unscaled step for mode   95=        0.0000006379
 Unscaled step for mode   96=        0.0000002281
 Unscaled step for mode   97=        0.0000008011
 Unscaled step for mode   98=       -0.0000007217
 Unscaled step for mode   99=       -0.0000025847
 Unscaled step for mode  100=        0.0000032552
 Unscaled step for mode  101=        0.0000000069
 Unscaled step for mode  102=        0.0000028631
 Unscaled step for mode  103=        0.0000007519
 Unscaled step for mode  104=       -0.0000019828
 Unscaled step for mode  105=        0.0000019132
 Unscaled step for mode  106=       -0.0000002169
 Unscaled step for mode  107=        0.0000062091
 Unscaled step for mode  108=       -0.0000022161
 Unscaled step for mode  109=       -0.0000056922
 Unscaled step for mode  110=       -0.0001213486
 Unscaled step for mode  111=       -0.0004221404
 Unscaled step for mode  112=        0.0000290640
 Unscaled step for mode  113=       -0.0018925382
 Unscaled step for mode  114=        0.1083176319
 Largest modulus ratio of non-zero e/values=           158.7267417    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.499600E-15    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.932414E-16    0.100733E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.317454E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.776722E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.620205E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.129351E-14    0.973753E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.197804E-05    0.728157E+03  0.271650E-08 0.100000E-04    0.987514E+00
   8   -0.306716E-05    0.672711E+03  0.455940E-08 0.100000E-04    0.999073E+00
   9    0.516664E-06    0.625870E+03 -0.825513E-09 0.100000E-04    0.986945E+00
  10    0.169863E-05    0.604510E+03 -0.280993E-08 0.100000E-04    0.989721E+00
  11   -0.111141E-05    0.589041E+03  0.188682E-08 0.100000E-04    0.993618E+00
  12    0.122802E-05    0.567885E+03 -0.216245E-08 0.100000E-04    0.978503E+00
  13   -0.272341E-05    0.566091E+03  0.481090E-08 0.100000E-04    0.997881E+00
  14   -0.448284E-05    0.480888E+03  0.932201E-08 0.100000E-04    0.996304E+00
  15    0.179231E-05    0.467021E+03 -0.383774E-08 0.100000E-04    0.993867E+00
  16    0.400868E-05    0.461947E+03 -0.867777E-08 0.100000E-04    0.992093E+00
  17    0.324114E-05    0.441331E+03 -0.734402E-08 0.100000E-04    0.989359E+00
  18    0.456076E-05    0.430354E+03 -0.105977E-07 0.100000E-04    0.998330E+00
  19   -0.125950E-04    0.421402E+03  0.298883E-07 0.100000E-04    0.995789E+00
  20    0.873720E-05    0.407217E+03 -0.214559E-07 0.100000E-04    0.998703E+00
  21    0.713565E-05    0.397805E+03 -0.179375E-07 0.100000E-04    0.997515E+00
  22   -0.384868E-05    0.388823E+03  0.989828E-08 0.100000E-04    0.989417E+00
  23   -0.577645E-06    0.367393E+03  0.157228E-08 0.100000E-04    0.997570E+00
  24    0.415366E-06    0.362522E+03 -0.114577E-08 0.100000E-04    0.964283E+00
  25   -0.154764E-04    0.351476E+03  0.440325E-07 0.100000E-04    0.996499E+00
  26   -0.257861E-04    0.338311E+03  0.762201E-07 0.100000E-04    0.996096E+00
  27   -0.127750E-04    0.325060E+03  0.393004E-07 0.100000E-04    0.996329E+00
  28    0.444862E-05    0.321589E+03 -0.138333E-07 0.100000E-04    0.973468E+00
  29    0.190180E-05    0.319447E+03 -0.595341E-08 0.100000E-04    0.966197E+00
  30   -0.214852E-04    0.314962E+03  0.682151E-07 0.100000E-04    0.998168E+00
  31   -0.806407E-05    0.304750E+03  0.264613E-07 0.100000E-04    0.994543E+00
  32   -0.359927E-05    0.287930E+03  0.125005E-07 0.100000E-04    0.991677E+00
  33    0.866849E-05    0.279243E+03 -0.310429E-07 0.100000E-04    0.994122E+00
  34    0.569344E-05    0.270791E+03 -0.210252E-07 0.100000E-04    0.989996E+00
  35    0.216630E-04    0.266184E+03 -0.813838E-07 0.100000E-04    0.998980E+00
  36    0.101385E-04    0.263481E+03 -0.384791E-07 0.100000E-04    0.991976E+00
  37   -0.126891E-04    0.258595E+03  0.490696E-07 0.100000E-04    0.994982E+00
  38   -0.342483E-05    0.253717E+03  0.134986E-07 0.100000E-04    0.995305E+00
  39   -0.159854E-04    0.242674E+03  0.658721E-07 0.100000E-04    0.997008E+00
  40    0.768257E-05    0.237794E+03 -0.323077E-07 0.100000E-04    0.980650E+00
  41   -0.241780E-04    0.235677E+03  0.102590E-06 0.100000E-04    0.991468E+00
  42   -0.718701E-05    0.228701E+03  0.314253E-07 0.100000E-04    0.995894E+00
  43    0.769383E-05    0.221918E+03 -0.346697E-07 0.100000E-04    0.994461E+00
  44   -0.144961E-04    0.213117E+03  0.680195E-07 0.100000E-04    0.995111E+00
  45    0.228470E-05    0.211848E+03 -0.107847E-07 0.100000E-04    0.996214E+00
  46    0.152741E-04    0.208098E+03 -0.733985E-07 0.100000E-04    0.995084E+00
  47   -0.260037E-04    0.203342E+03  0.127882E-06 0.100000E-04    0.998028E+00
  48    0.214811E-05    0.197965E+03 -0.108509E-07 0.100000E-04    0.988218E+00
  49   -0.173796E-04    0.195488E+03  0.889037E-07 0.100000E-04    0.996710E+00
  50   -0.869706E-05    0.191597E+03  0.453924E-07 0.100000E-04    0.991202E+00
  51   -0.114522E-04    0.185155E+03  0.618520E-07 0.100000E-04    0.997086E+00
  52   -0.936436E-06    0.176132E+03  0.531667E-08 0.100000E-04    0.986644E+00
  53   -0.956466E-05    0.171330E+03  0.558259E-07 0.100000E-04    0.996020E+00
  54   -0.100094E-04    0.167672E+03  0.596961E-07 0.100000E-04    0.993839E+00
  55   -0.178701E-04    0.165481E+03  0.107989E-06 0.100000E-04    0.998316E+00
  56   -0.584539E-05    0.159796E+03  0.365804E-07 0.100000E-04    0.997086E+00
  57   -0.543407E-05    0.153594E+03  0.353795E-07 0.100000E-04    0.990559E+00
  58    0.180920E-04    0.150989E+03 -0.119823E-06 0.100000E-04    0.995038E+00
  59   -0.434646E-05    0.149121E+03  0.291472E-07 0.100000E-04    0.982450E+00
  60   -0.170002E-04    0.143053E+03  0.118838E-06 0.100000E-04    0.997323E+00
  61    0.164615E-04    0.136977E+03 -0.120177E-06 0.100000E-04    0.991134E+00
  62    0.302711E-04    0.135455E+03 -0.223477E-06 0.100000E-04    0.997941E+00
  63    0.209777E-04    0.130814E+03 -0.160363E-06 0.100000E-04    0.995387E+00
  64   -0.133969E-04    0.127741E+03  0.104876E-06 0.100000E-04    0.990734E+00
  65    0.148579E-05    0.126061E+03 -0.117863E-07 0.100000E-04    0.925679E+00
  66   -0.244928E-04    0.125428E+03  0.195275E-06 0.100000E-04    0.996582E+00
  67   -0.328236E-05    0.119580E+03  0.274490E-07 0.100000E-04    0.999110E+00
  68    0.774547E-05    0.117991E+03 -0.656443E-07 0.100000E-04    0.995885E+00
  69   -0.319830E-05    0.116849E+03  0.273713E-07 0.100000E-04    0.984622E+00
  70   -0.184361E-04    0.111582E+03  0.165224E-06 0.100000E-04    0.997764E+00
  71   -0.330802E-05    0.108729E+03  0.304244E-07 0.100000E-04    0.992852E+00
  72    0.392934E-04    0.105033E+03 -0.374104E-06 0.100000E-04    0.993616E+00
  73   -0.197887E-04    0.102986E+03  0.192149E-06 0.100000E-04    0.994949E+00
  74    0.295681E-04    0.999520E+02 -0.295823E-06 0.100000E-04    0.997785E+00
  75   -0.421395E-04    0.965727E+02  0.436350E-06 0.100000E-04    0.992838E+00
  76   -0.282878E-04    0.951190E+02  0.297393E-06 0.100000E-04    0.999373E+00
  77   -0.592878E-04    0.918563E+02  0.645441E-06 0.100000E-04    0.998140E+00
  78    0.910334E-06    0.904901E+02 -0.100600E-07 0.100000E-04    0.961651E+00
  79    0.220633E-04    0.896500E+02 -0.246105E-06 0.100000E-04    0.994580E+00
  80   -0.174846E-04    0.847485E+02  0.206312E-06 0.100000E-04    0.996866E+00
  81   -0.172080E-04    0.809107E+02  0.212679E-06 0.100000E-04    0.996339E+00
  82    0.919393E-05    0.795825E+02 -0.115527E-06 0.100000E-04    0.993021E+00
  83   -0.132024E-04    0.784151E+02  0.168365E-06 0.100000E-04    0.999655E+00
  84    0.275780E-04    0.727330E+02 -0.379168E-06 0.100000E-04    0.992916E+00
  85    0.382777E-04    0.718334E+02 -0.532868E-06 0.100000E-04    0.994629E+00
  86    0.202051E-04    0.683205E+02 -0.295740E-06 0.100000E-04    0.983307E+00
  87   -0.337290E-04    0.675917E+02  0.499012E-06 0.100000E-04    0.991670E+00
  88   -0.205838E-06    0.633680E+02  0.324830E-08 0.100000E-04    0.977745E+00
  89   -0.451376E-04    0.609834E+02  0.740163E-06 0.100000E-04    0.995815E+00
  90   -0.219811E-04    0.596646E+02  0.368411E-06 0.100000E-04    0.991438E+00
  91    0.630274E-06    0.589599E+02 -0.106899E-07 0.100000E-04    0.983105E+00
  92    0.537227E-04    0.559555E+02 -0.960097E-06 0.100000E-04    0.998026E+00
  93   -0.380626E-04    0.531242E+02  0.716483E-06 0.100000E-04    0.999293E+00
  94   -0.355529E-04    0.522303E+02  0.680696E-06 0.100000E-04    0.994300E+00
  95   -0.320206E-04    0.501949E+02  0.637926E-06 0.100000E-04    0.999965E+00
  96   -0.109084E-04    0.478286E+02  0.228072E-06 0.100000E-04    0.994605E+00
  97   -0.344932E-04    0.430576E+02  0.801095E-06 0.100000E-04    0.993276E+00
  98    0.289981E-04    0.401791E+02 -0.721721E-06 0.100000E-04    0.993771E+00
  99    0.958523E-04    0.370839E+02 -0.258474E-05 0.100000E-04    0.993077E+00
 100   -0.116465E-03    0.357780E+02  0.325521E-05 0.100000E-04    0.999472E+00
 101   -0.246609E-06    0.355734E+02  0.693241E-08 0.100000E-04    0.383374E+00
 102   -0.826485E-04    0.288665E+02  0.286313E-05 0.100000E-04    0.994756E+00
 103   -0.216041E-04    0.287339E+02  0.751868E-06 0.100000E-04    0.985851E+00
 104    0.559296E-04    0.282072E+02 -0.198281E-05 0.100000E-04    0.991088E+00
 105   -0.438663E-04    0.229278E+02  0.191324E-05 0.100000E-04    0.995492E+00
 106    0.473264E-05    0.218209E+02 -0.216886E-06 0.100000E-04    0.863905E+00
 107   -0.124109E-03    0.199882E+02  0.620912E-05 0.100000E-04    0.999491E+00
 108    0.372790E-04    0.168218E+02 -0.221612E-05 0.100000E-04    0.981451E+00
 109    0.783816E-04    0.137701E+02 -0.569217E-05 0.100000E-04    0.999029E+00
 110    0.149239E-02    0.122983E+02 -0.100000E-04 0.100000E-04    0.685658E+00
 111    0.419319E-02    0.993315E+01 -0.100000E-04 0.100000E-04    0.455703E+00
 112   -0.278124E-03    0.956936E+01  0.100000E-04 0.100000E-04    0.575856E+00
 113    0.142114E-01    0.750915E+01 -0.134530E-04 0.134530E-04    0.133937E+00
 114    0.502805E+00    0.458749E+01  0.400000E-03 0.400000E-03    0.334938E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1083176319    

 Beginning of optimization cycle  245.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3761567799
 potential> RMS force:                                               0.0472840264   |gradient|=.5048552502    
 Eigenvalues of the Hessian matrix:
   728.21811    672.72327    625.88411    604.50990    589.03355    567.92486 
   566.10576    480.91019    466.99776    461.93903    441.33102    430.34577 
   421.40759    407.22703    397.80088    388.82377    367.39753    362.51224 
   351.46880    338.28051    325.06857    321.58684    319.46028    314.93389 
   304.74290    287.93620    279.23697    270.78855    266.19047    263.49098 
   258.60410    253.71969    242.66778    237.78875    235.67908    228.70032 
   221.89813    213.12397    211.85232    208.08623    203.34533    197.96101 
   195.48615    191.59678    185.14467    176.11874    171.33622    167.66889 
   165.47756    159.78766    153.59689    150.99108    149.11935    143.05623 
   136.97829    135.46009    130.81226    127.74306    126.06094    125.43187 
   119.58205    117.99219    116.85126    111.57519    108.71858    105.02977 
   102.98782     99.94911     96.56457     95.11850     91.86787     90.48579 
    89.65671     84.75118     80.91094     79.58546     78.41341     72.73251 
    71.83731     68.31905     67.58215     63.36717     60.97323     59.66508 
    58.96183     55.95675     53.11986     52.23053     50.19347     47.82627 
    43.05456     40.18129     37.08676     35.78389     35.56365     28.86564 
    28.73332     28.19886     22.92691     21.81757     19.99278     16.82197 
    13.77006     12.29734      9.92673      9.56603      7.50671      4.58413 
overlap for current and previous eigenvector    109 is         0.9999993360
overlap for current and previous eigenvector    110 is         0.9999992377
overlap for current and previous eigenvector    111 is        -0.9998359464
overlap for current and previous eigenvector    112 is         0.9998352566
overlap for current and previous eigenvector    113 is         0.9999967387
overlap for current and previous eigenvector    114 is        -0.9999996462
J1,K1,R1,R2,RAT=   7   7   -0.1084788555E-01     2.010680905        0.9891521144    
FOB,PFOB,DIAG,PSTEP=   -0.1999500322E-05   -0.1978040968E-05     728.2181078        0.2716502252E-08
J1,K1,R1,R2,RAT=   8   8   -0.1046599829E-01     2.010429759        0.9895340017    
FOB,PFOB,DIAG,PSTEP=   -0.3099260308E-05   -0.3067158847E-05     672.7232703        0.4559399918E-08
J1,K1,R1,R2,RAT=   9   9    0.9136075518E-02     1.990819352        0.9908193525    
FOB,PFOB,DIAG,PSTEP=    0.5119433178E-06    0.5166637016E-06     625.8841140       -0.8255125903E-09
J1,K1,R1,R2,RAT=  10  10    0.5673143199E-02     1.994328127        0.9943268568    
FOB,PFOB,DIAG,PSTEP=    0.1688992144E-05    0.1698628701E-05     604.5099050       -0.2809925211E-08
J1,K1,R1,R2,RAT=  11  11    0.1207836402E-02     1.998818613        0.9987921636    
FOB,PFOB,DIAG,PSTEP=   -0.1110069743E-05   -0.1111412129E-05     589.0335520        0.1886815153E-08
J1,K1,R1,R2,RAT= 109 109   -0.9767839078E-03     2.000975947        0.9990232161    
FOB,PFOB,DIAG,PSTEP=    0.7845811398E-04    0.7838155211E-04     13.77006278       -0.5692173389E-05
J1,K1,R1,R2,RAT= 110 110   -0.3136662728         24.58535806        0.6863337272    
FOB,PFOB,DIAG,PSTEP=    0.1530958667E-02    0.1492386063E-02     12.29733862       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     85.02081091       -0.5380742521        0.4619257479    
FOB,PFOB,DIAG,PSTEP=   -0.4246598478E-02    0.4193185316E-02     9.926727003       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.4876058355         6.302436700        0.5123941645    
FOB,PFOB,DIAG,PSTEP=   -0.3247686848E-03   -0.2781241741E-03     9.566027993        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7215583944         282.1689866        0.2784416056    
FOB,PFOB,DIAG,PSTEP=    0.1428426576E-01    0.1421139707E-01     7.506711071       -0.1345301990E-04
J1,K1,R1,R2,RAT= 114 114    -549.4165494        0.9966157477        0.3384252299E-02
FOB,PFOB,DIAG,PSTEP=   -0.5046327451        0.5028052999         4.584126771        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000      0.00001     -0.00001 
     0.00002     -0.00001      0.00001      0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000     -0.00001      0.00000     -0.00002     -0.00000      0.00004 
    -0.00002      0.00003     -0.00004     -0.00003      0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001     -0.00001      0.00003 
     0.00004      0.00002     -0.00003     -0.00000      0.00005      0.00002 
     0.00000      0.00005     -0.00004      0.00004     -0.00003     -0.00001 
    -0.00003      0.00003      0.00010      0.00012      0.00000      0.00008 
     0.00002     -0.00006      0.00004     -0.00000     -0.00012      0.00004 
     0.00008      0.00153     -0.00425     -0.00032      0.01428     -0.50463 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4356906572
 Log product of positive Hessian eigenvalues =          520.1025198470
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5841267708
 Unscaled step for mode    7=        0.0000000027
 Unscaled step for mode    8=        0.0000000046
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000021
 Unscaled step for mode   13=        0.0000000049
 Unscaled step for mode   14=        0.0000000092
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000087
 Unscaled step for mode   17=       -0.0000000074
 Unscaled step for mode   18=       -0.0000000106
 Unscaled step for mode   19=        0.0000000300
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=        0.0000000100
 Unscaled step for mode   23=        0.0000000015
 Unscaled step for mode   24=       -0.0000000011
 Unscaled step for mode   25=        0.0000000442
 Unscaled step for mode   26=        0.0000000765
 Unscaled step for mode   27=        0.0000000395
 Unscaled step for mode   28=       -0.0000000142
 Unscaled step for mode   29=       -0.0000000061
 Unscaled step for mode   30=        0.0000000685
 Unscaled step for mode   31=        0.0000000267
 Unscaled step for mode   32=        0.0000000126
 Unscaled step for mode   33=       -0.0000000311
 Unscaled step for mode   34=       -0.0000000211
 Unscaled step for mode   35=       -0.0000000816
 Unscaled step for mode   36=       -0.0000000388
 Unscaled step for mode   37=        0.0000000493
 Unscaled step for mode   38=        0.0000000135
 Unscaled step for mode   39=        0.0000000660
 Unscaled step for mode   40=       -0.0000000317
 Unscaled step for mode   41=        0.0000001036
 Unscaled step for mode   42=        0.0000000317
 Unscaled step for mode   43=       -0.0000000350
 Unscaled step for mode   44=        0.0000000687
 Unscaled step for mode   45=       -0.0000000105
 Unscaled step for mode   46=       -0.0000000739
 Unscaled step for mode   47=        0.0000001284
 Unscaled step for mode   48=       -0.0000000110
 Unscaled step for mode   49=        0.0000000895
 Unscaled step for mode   50=        0.0000000452
 Unscaled step for mode   51=        0.0000000622
 Unscaled step for mode   52=       -0.0000000055
 Unscaled step for mode   53=       -0.0000000560
 Unscaled step for mode   54=        0.0000000602
 Unscaled step for mode   55=       -0.0000001083
 Unscaled step for mode   56=        0.0000000366
 Unscaled step for mode   57=       -0.0000000356
 Unscaled step for mode   58=       -0.0000001204
 Unscaled step for mode   59=        0.0000000289
 Unscaled step for mode   60=        0.0000001194
 Unscaled step for mode   61=       -0.0000001207
 Unscaled step for mode   62=       -0.0000002236
 Unscaled step for mode   63=       -0.0000001604
 Unscaled step for mode   64=        0.0000001059
 Unscaled step for mode   65=        0.0000000123
 Unscaled step for mode   66=       -0.0000001954
 Unscaled step for mode   67=        0.0000000280
 Unscaled step for mode   68=        0.0000000658
 Unscaled step for mode   69=       -0.0000000275
 Unscaled step for mode   70=        0.0000001664
 Unscaled step for mode   71=        0.0000000307
 Unscaled step for mode   72=       -0.0000003756
 Unscaled step for mode   73=        0.0000001931
 Unscaled step for mode   74=       -0.0000002956
 Unscaled step for mode   75=        0.0000004397
 Unscaled step for mode   76=        0.0000002974
 Unscaled step for mode   77=       -0.0000006467
 Unscaled step for mode   78=       -0.0000000095
 Unscaled step for mode   79=       -0.0000002436
 Unscaled step for mode   80=        0.0000002072
 Unscaled step for mode   81=        0.0000002133
 Unscaled step for mode   82=       -0.0000001137
 Unscaled step for mode   83=        0.0000001693
 Unscaled step for mode   84=       -0.0000003803
 Unscaled step for mode   85=       -0.0000005333
 Unscaled step for mode   86=       -0.0000002901
 Unscaled step for mode   87=        0.0000005028
 Unscaled step for mode   88=        0.0000000043
 Unscaled step for mode   89=       -0.0000007421
 Unscaled step for mode   90=       -0.0000003683
 Unscaled step for mode   91=       -0.0000000105
 Unscaled step for mode   92=       -0.0000009630
 Unscaled step for mode   93=        0.0000007143
 Unscaled step for mode   94=       -0.0000006824
 Unscaled step for mode   95=        0.0000006354
 Unscaled step for mode   96=        0.0000002289
 Unscaled step for mode   97=        0.0000008010
 Unscaled step for mode   98=       -0.0000007248
 Unscaled step for mode   99=       -0.0000025909
 Unscaled step for mode  100=       -0.0000032503
 Unscaled step for mode  101=       -0.0000000014
 Unscaled step for mode  102=       -0.0000028695
 Unscaled step for mode  103=       -0.0000007354
 Unscaled step for mode  104=        0.0000019889
 Unscaled step for mode  105=       -0.0000019187
 Unscaled step for mode  106=        0.0000002033
 Unscaled step for mode  107=        0.0000062008
 Unscaled step for mode  108=       -0.0000022046
 Unscaled step for mode  109=       -0.0000056977
 Unscaled step for mode  110=       -0.0001244951
 Unscaled step for mode  111=        0.0004277943
 Unscaled step for mode  112=        0.0000339502
 Unscaled step for mode  113=       -0.0019028592
 Unscaled step for mode  114=       -0.1087800151
 Largest modulus ratio of non-zero e/values=           158.8564506    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.180628E-15    0.101891E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.602600E-15    0.100733E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.384584E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.796482E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.455365E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.557524E-15    0.973755E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.199950E-05    0.728218E+03  0.274574E-08 0.100000E-04    0.989152E+00
   8   -0.309926E-05    0.672723E+03  0.460704E-08 0.100000E-04    0.989534E+00
   9    0.511943E-06    0.625884E+03 -0.817952E-09 0.100000E-04    0.990819E+00
  10    0.168899E-05    0.604510E+03 -0.279399E-08 0.100000E-04    0.994327E+00
  11   -0.111007E-05    0.589034E+03  0.188456E-08 0.100000E-04    0.998792E+00
  12    0.117457E-05    0.567925E+03 -0.206819E-08 0.100000E-04    0.956337E+00
  13   -0.275460E-05    0.566106E+03  0.486587E-08 0.100000E-04    0.988548E+00
  14   -0.444817E-05    0.480910E+03  0.924948E-08 0.100000E-04    0.992173E+00
  15    0.179855E-05    0.466998E+03 -0.385130E-08 0.100000E-04    0.996516E+00
  16    0.402637E-05    0.461939E+03 -0.871623E-08 0.100000E-04    0.995586E+00
  17    0.324443E-05    0.441331E+03 -0.735147E-08 0.100000E-04    0.998985E+00
  18    0.456736E-05    0.430346E+03 -0.106132E-07 0.100000E-04    0.998553E+00
  19   -0.126291E-04    0.421408E+03  0.299689E-07 0.100000E-04    0.997289E+00
  20    0.871790E-05    0.407227E+03 -0.214080E-07 0.100000E-04    0.997744E+00
  21    0.713441E-05    0.397801E+03 -0.179346E-07 0.100000E-04    0.999827E+00
  22   -0.388594E-05    0.388824E+03  0.999409E-08 0.100000E-04    0.990318E+00
  23   -0.552681E-06    0.367398E+03  0.150431E-08 0.100000E-04    0.956758E+00
  24    0.395240E-06    0.362512E+03 -0.109028E-08 0.100000E-04    0.951544E+00
  25   -0.155272E-04    0.351469E+03  0.441781E-07 0.100000E-04    0.996716E+00
  26   -0.258726E-04    0.338281E+03  0.764825E-07 0.100000E-04    0.996647E+00
  27   -0.128298E-04    0.325069E+03  0.394681E-07 0.100000E-04    0.995708E+00
  28    0.455303E-05    0.321587E+03 -0.141580E-07 0.100000E-04    0.976530E+00
  29    0.194104E-05    0.319460E+03 -0.607601E-08 0.100000E-04    0.979368E+00
  30   -0.215667E-04    0.314934E+03  0.684801E-07 0.100000E-04    0.996204E+00
  31   -0.814200E-05    0.304743E+03  0.267176E-07 0.100000E-04    0.990336E+00
  32   -0.362574E-05    0.287936E+03  0.125921E-07 0.100000E-04    0.992648E+00
  33    0.868973E-05    0.279237E+03 -0.311195E-07 0.100000E-04    0.997550E+00
  34    0.572666E-05    0.270789E+03 -0.211481E-07 0.100000E-04    0.994165E+00
  35    0.217267E-04    0.266190E+03 -0.816210E-07 0.100000E-04    0.997060E+00
  36    0.102307E-04    0.263491E+03 -0.388276E-07 0.100000E-04    0.990904E+00
  37   -0.127491E-04    0.258604E+03  0.492999E-07 0.100000E-04    0.995271E+00
  38   -0.341693E-05    0.253720E+03  0.134674E-07 0.100000E-04    0.997673E+00
  39   -0.160164E-04    0.242668E+03  0.660013E-07 0.100000E-04    0.998062E+00
  40    0.754349E-05    0.237789E+03 -0.317235E-07 0.100000E-04    0.981896E+00
  41   -0.244082E-04    0.235679E+03  0.103565E-06 0.100000E-04    0.990482E+00
  42   -0.724374E-05    0.228700E+03  0.316735E-07 0.100000E-04    0.992107E+00
  43    0.777022E-05    0.221898E+03 -0.350171E-07 0.100000E-04    0.990071E+00
  44   -0.146409E-04    0.213124E+03  0.686965E-07 0.100000E-04    0.990014E+00
  45    0.222781E-05    0.211852E+03 -0.105158E-07 0.100000E-04    0.975053E+00
  46    0.153771E-04    0.208086E+03 -0.738976E-07 0.100000E-04    0.993255E+00
  47   -0.261028E-04    0.203345E+03  0.128367E-06 0.100000E-04    0.996191E+00
  48    0.217326E-05    0.197961E+03 -0.109782E-07 0.100000E-04    0.988291E+00
  49   -0.174881E-04    0.195486E+03  0.894594E-07 0.100000E-04    0.993756E+00
  50   -0.866249E-05    0.191597E+03  0.452121E-07 0.100000E-04    0.996025E+00
  51   -0.115235E-04    0.185145E+03  0.622407E-07 0.100000E-04    0.993772E+00
  52    0.965953E-06    0.176119E+03 -0.548467E-08 0.100000E-04    0.968477E+00
  53    0.959615E-05    0.171336E+03 -0.560077E-07 0.100000E-04    0.996707E+00
  54   -0.101014E-04    0.167669E+03  0.602463E-07 0.100000E-04    0.990802E+00
  55    0.179138E-04    0.165478E+03 -0.108255E-06 0.100000E-04    0.997554E+00
  56   -0.584388E-05    0.159788E+03  0.365728E-07 0.100000E-04    0.999742E+00
  57    0.547168E-05    0.153597E+03 -0.356236E-07 0.100000E-04    0.993079E+00
  58    0.181725E-04    0.150991E+03 -0.120355E-06 0.100000E-04    0.995548E+00
  59   -0.430278E-05    0.149119E+03  0.288546E-07 0.100000E-04    0.989948E+00
  60   -0.170790E-04    0.143056E+03  0.119387E-06 0.100000E-04    0.995366E+00
  61    0.165337E-04    0.136978E+03 -0.120703E-06 0.100000E-04    0.995612E+00
  62    0.302857E-04    0.135460E+03 -0.223577E-06 0.100000E-04    0.999518E+00
  63    0.209799E-04    0.130812E+03 -0.160382E-06 0.100000E-04    0.999893E+00
  64   -0.135292E-04    0.127743E+03  0.105910E-06 0.100000E-04    0.990122E+00
  65   -0.154887E-05    0.126061E+03  0.122866E-07 0.100000E-04    0.957547E+00
  66    0.245142E-04    0.125432E+03 -0.195438E-06 0.100000E-04    0.999127E+00
  67   -0.334689E-05    0.119582E+03  0.279883E-07 0.100000E-04    0.980340E+00
  68   -0.775837E-05    0.117992E+03  0.657533E-07 0.100000E-04    0.998335E+00
  69    0.321017E-05    0.116851E+03 -0.274723E-07 0.100000E-04    0.996289E+00
  70   -0.185647E-04    0.111575E+03  0.166388E-06 0.100000E-04    0.993021E+00
  71   -0.333908E-05    0.108719E+03  0.307130E-07 0.100000E-04    0.990611E+00
  72    0.394528E-04    0.105030E+03 -0.375635E-06 0.100000E-04    0.995942E+00
  73   -0.198909E-04    0.102988E+03  0.193138E-06 0.100000E-04    0.994838E+00
  74    0.295476E-04    0.999491E+02 -0.295626E-06 0.100000E-04    0.999307E+00
  75   -0.424569E-04    0.965646E+02  0.439674E-06 0.100000E-04    0.992465E+00
  76   -0.282880E-04    0.951185E+02  0.297397E-06 0.100000E-04    0.999992E+00
  77    0.594121E-04    0.918679E+02 -0.646712E-06 0.100000E-04    0.997903E+00
  78    0.863762E-06    0.904858E+02 -0.954583E-08 0.100000E-04    0.948838E+00
  79    0.218412E-04    0.896567E+02 -0.243610E-06 0.100000E-04    0.989785E+00
  80   -0.175573E-04    0.847512E+02  0.207163E-06 0.100000E-04    0.995840E+00
  81   -0.172602E-04    0.809109E+02  0.213324E-06 0.100000E-04    0.996966E+00
  82    0.904827E-05    0.795855E+02 -0.113693E-06 0.100000E-04    0.984083E+00
  83   -0.132776E-04    0.784134E+02  0.169328E-06 0.100000E-04    0.994302E+00
  84    0.276634E-04    0.727325E+02 -0.380345E-06 0.100000E-04    0.996903E+00
  85    0.383084E-04    0.718373E+02 -0.533266E-06 0.100000E-04    0.999199E+00
  86    0.198213E-04    0.683191E+02 -0.290128E-06 0.100000E-04    0.981003E+00
  87   -0.339800E-04    0.675821E+02  0.502796E-06 0.100000E-04    0.992557E+00
  88   -0.273047E-06    0.633672E+02  0.430896E-08 0.100000E-04    0.673486E+00
  89    0.452481E-04    0.609732E+02 -0.742098E-06 0.100000E-04    0.997552E+00
  90    0.219766E-04    0.596651E+02 -0.368332E-06 0.100000E-04    0.999777E+00
  91    0.616338E-06    0.589618E+02 -0.104532E-07 0.100000E-04    0.977824E+00
  92    0.538862E-04    0.559568E+02 -0.962996E-06 0.100000E-04    0.996957E+00
  93   -0.379455E-04    0.531199E+02  0.714338E-06 0.100000E-04    0.996923E+00
  94    0.356435E-04    0.522305E+02 -0.682427E-06 0.100000E-04    0.997452E+00
  95   -0.318916E-04    0.501935E+02  0.635374E-06 0.100000E-04    0.995971E+00
  96   -0.109490E-04    0.478263E+02  0.228933E-06 0.100000E-04    0.996275E+00
  97   -0.344849E-04    0.430546E+02  0.800959E-06 0.100000E-04    0.999760E+00
  98    0.291216E-04    0.401813E+02 -0.724755E-06 0.100000E-04    0.995741E+00
  99    0.960898E-04    0.370868E+02 -0.259095E-05 0.100000E-04    0.997523E+00
 100    0.116307E-03    0.357839E+02 -0.325027E-05 0.100000E-04    0.998315E+00
 101    0.492251E-07    0.355637E+02 -0.138414E-08 0.109000E-04    0.199389E+00
 102    0.828303E-04    0.288656E+02 -0.286951E-05 0.100000E-04    0.997800E+00
 103    0.211313E-04    0.287333E+02 -0.735428E-06 0.100000E-04    0.978116E+00
 104   -0.560853E-04    0.281989E+02  0.198892E-05 0.100000E-04    0.997215E+00
 105    0.439895E-04    0.229269E+02 -0.191869E-05 0.100000E-04    0.997192E+00
 106   -0.443458E-05    0.218176E+02  0.203257E-06 0.100000E-04    0.937010E+00
 107   -0.123972E-03    0.199928E+02  0.620084E-05 0.100000E-04    0.998436E+00
 108    0.370857E-04    0.168220E+02 -0.220460E-05 0.100000E-04    0.994791E+00
 109    0.784581E-04    0.137701E+02 -0.569773E-05 0.100000E-04    0.999023E+00
 110    0.153096E-02    0.122973E+02 -0.100000E-04 0.100000E-04    0.686334E+00
 111   -0.424660E-02    0.992673E+01  0.100000E-04 0.100000E-04    0.461926E+00
 112   -0.324769E-03    0.956603E+01  0.100000E-04 0.100000E-04    0.512394E+00
 113    0.142843E-01    0.750671E+01 -0.121198E-04 0.121198E-04    0.278442E+00
 114   -0.504633E+00    0.458413E+01 -0.400000E-03 0.400000E-03    0.338425E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1087800151    

 Beginning of optimization cycle  246.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3759547936
 potential> RMS force:                                               0.0474552526   |gradient|=.5066834451    
 Eigenvalues of the Hessian matrix:
   728.27896    672.73551    625.89805    604.50931    589.02581    567.96461 
   566.12048    480.93278    466.97470    461.93057    441.33133    430.33741 
   421.41334    407.23666    397.79653    388.82493    367.40233    362.50280 
   351.46107    338.25013    325.07673    321.58512    319.47308    314.90548 
   304.73582    287.94246    279.23135    270.78568    266.19728    263.50081 
   258.61332    253.72240    242.66202    237.78409    235.68129    228.69959 
   221.87805    213.13084    211.85700    208.07497    203.34837    197.95667 
   195.48471    191.59642    185.13439    176.10542    171.34234    167.66573 
   165.47406    159.77972    153.59999    150.99301    149.11748    143.05900 
   136.97910    135.46520    130.81057    127.74542    126.06102    125.43608 
   119.58384    117.99292    116.85372    111.56817    108.70779    105.02635 
   102.98942     99.94628     96.55647     95.11795     91.87947     90.48155 
    89.66329     84.75385     80.91114     79.58838     78.41173     72.73204 
    71.84130     68.31775     67.57254     63.36636     60.96313     59.66555 
    58.96379     55.95804     53.11552     52.23079     50.19204     47.82398 
    43.05152     40.18352     37.08969     35.78982     35.55395     28.86483 
    28.73276     28.19058     22.92602     21.81418     19.99743     16.82217 
    13.77008     12.29635      9.92056      9.56247      7.50425      4.58075 
overlap for current and previous eigenvector    109 is         0.9999993428
overlap for current and previous eigenvector    110 is         0.9999992437
overlap for current and previous eigenvector    111 is         0.9998316400
overlap for current and previous eigenvector    112 is         0.9998308150
overlap for current and previous eigenvector    113 is         0.9999966989
overlap for current and previous eigenvector    114 is         0.9999996487
J1,K1,R1,R2,RAT=   7   7   -0.1231286500E-01     2.012145748        0.9876871350    
FOB,PFOB,DIAG,PSTEP=   -0.2024121957E-05   -0.1999500322E-05     728.2789615        0.2745743755E-08
J1,K1,R1,R2,RAT=   8   8   -0.1009645952E-02     2.000973248        0.9989903540    
FOB,PFOB,DIAG,PSTEP=   -0.3102389520E-05   -0.3099260308E-05     672.7355134        0.4607035975E-08
J1,K1,R1,R2,RAT=   9   9    0.1283074458E-01     1.987124731        0.9871247305    
FOB,PFOB,DIAG,PSTEP=    0.5053745576E-06    0.5119433178E-06     625.8980481       -0.8179522476E-09
J1,K1,R1,R2,RAT=  10  10   -0.1017457089E-01     2.010176533        0.9898254291    
FOB,PFOB,DIAG,PSTEP=    0.1706176897E-05    0.1688992144E-05     604.5093119       -0.2793985888E-08
J1,K1,R1,R2,RAT=  11  11   -0.6549732541E-02     2.006576010        0.9934502675    
FOB,PFOB,DIAG,PSTEP=   -0.1117340307E-05   -0.1110069743E-05     589.0258129        0.1884561141E-08
J1,K1,R1,R2,RAT= 109 109    0.1073547826E-02     1.998924444        0.9989244441    
FOB,PFOB,DIAG,PSTEP=    0.7837388536E-04    0.7845811398E-04     13.77007660       -0.5697731031E-05
J1,K1,R1,R2,RAT= 110 110   -0.3238115235         25.22484610        0.6761884765    
FOB,PFOB,DIAG,PSTEP=    0.1570775652E-02    0.1530958667E-02     12.29634586       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.5093483513         86.12145817        0.4906516487    
FOB,PFOB,DIAG,PSTEP=   -0.4297128665E-02   -0.4246598478E-02     9.920555602        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.5246045568         7.317175094        0.4753954432    
FOB,PFOB,DIAG,PSTEP=   -0.3749338266E-03   -0.3247686848E-03     9.562467790        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8989979136         315.0103913        0.1010020864    
FOB,PFOB,DIAG,PSTEP=    0.1436602991E-01    0.1428426576E-01     7.504252217       -0.1211983775E-04
J1,K1,R1,R2,RAT= 114 114    0.9966183262        -551.8160198        0.3381673810E-02
FOB,PFOB,DIAG,PSTEP=   -0.5064588472       -0.5046327451         4.580745919       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000      0.00001     -0.00001 
     0.00002     -0.00001      0.00001      0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000     -0.00001      0.00000     -0.00002     -0.00000      0.00004 
     0.00002     -0.00003     -0.00004      0.00003     -0.00006      0.00000 
     0.00002     -0.00002      0.00002     -0.00001      0.00001      0.00003 
     0.00004      0.00002     -0.00003     -0.00000     -0.00005     -0.00002 
     0.00000      0.00005      0.00004     -0.00004     -0.00003     -0.00001 
    -0.00003      0.00003      0.00010      0.00012     -0.00000      0.00008 
     0.00002     -0.00006      0.00004     -0.00000     -0.00012      0.00004 
     0.00008      0.00157     -0.00430     -0.00037      0.01437     -0.50646 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4356060720
 Log product of positive Hessian eigenvalues =          520.0995254405
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5807459186
 Unscaled step for mode    7=        0.0000000028
 Unscaled step for mode    8=        0.0000000046
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000020
 Unscaled step for mode   13=        0.0000000049
 Unscaled step for mode   14=        0.0000000092
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000088
 Unscaled step for mode   17=       -0.0000000074
 Unscaled step for mode   18=       -0.0000000106
 Unscaled step for mode   19=        0.0000000301
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000101
 Unscaled step for mode   23=        0.0000000015
 Unscaled step for mode   24=       -0.0000000010
 Unscaled step for mode   25=        0.0000000443
 Unscaled step for mode   26=        0.0000000768
 Unscaled step for mode   27=        0.0000000396
 Unscaled step for mode   28=       -0.0000000145
 Unscaled step for mode   29=       -0.0000000063
 Unscaled step for mode   30=        0.0000000686
 Unscaled step for mode   31=        0.0000000269
 Unscaled step for mode   32=        0.0000000127
 Unscaled step for mode   33=       -0.0000000313
 Unscaled step for mode   34=       -0.0000000214
 Unscaled step for mode   35=       -0.0000000817
 Unscaled step for mode   36=       -0.0000000391
 Unscaled step for mode   37=        0.0000000495
 Unscaled step for mode   38=        0.0000000134
 Unscaled step for mode   39=        0.0000000662
 Unscaled step for mode   40=       -0.0000000310
 Unscaled step for mode   41=        0.0000001044
 Unscaled step for mode   42=        0.0000000318
 Unscaled step for mode   43=       -0.0000000352
 Unscaled step for mode   44=        0.0000000690
 Unscaled step for mode   45=       -0.0000000106
 Unscaled step for mode   46=       -0.0000000743
 Unscaled step for mode   47=        0.0000001286
 Unscaled step for mode   48=       -0.0000000111
 Unscaled step for mode   49=        0.0000000898
 Unscaled step for mode   50=        0.0000000456
 Unscaled step for mode   51=        0.0000000624
 Unscaled step for mode   52=       -0.0000000056
 Unscaled step for mode   53=       -0.0000000562
 Unscaled step for mode   54=        0.0000000606
 Unscaled step for mode   55=       -0.0000001084
 Unscaled step for mode   56=        0.0000000367
 Unscaled step for mode   57=       -0.0000000360
 Unscaled step for mode   58=       -0.0000001209
 Unscaled step for mode   59=        0.0000000283
 Unscaled step for mode   60=        0.0000001197
 Unscaled step for mode   61=       -0.0000001218
 Unscaled step for mode   62=       -0.0000002240
 Unscaled step for mode   63=       -0.0000001611
 Unscaled step for mode   64=        0.0000001069
 Unscaled step for mode   65=        0.0000000131
 Unscaled step for mode   66=       -0.0000001961
 Unscaled step for mode   67=        0.0000000280
 Unscaled step for mode   68=        0.0000000660
 Unscaled step for mode   69=       -0.0000000279
 Unscaled step for mode   70=        0.0000001668
 Unscaled step for mode   71=        0.0000000309
 Unscaled step for mode   72=       -0.0000003780
 Unscaled step for mode   73=       -0.0000001941
 Unscaled step for mode   74=        0.0000002963
 Unscaled step for mode   75=        0.0000004429
 Unscaled step for mode   76=       -0.0000002971
 Unscaled step for mode   77=        0.0000006478
 Unscaled step for mode   78=       -0.0000000091
 Unscaled step for mode   79=       -0.0000002423
 Unscaled step for mode   80=        0.0000002078
 Unscaled step for mode   81=       -0.0000002141
 Unscaled step for mode   82=        0.0000001129
 Unscaled step for mode   83=       -0.0000001693
 Unscaled step for mode   84=       -0.0000003830
 Unscaled step for mode   85=       -0.0000005361
 Unscaled step for mode   86=       -0.0000002852
 Unscaled step for mode   87=        0.0000005068
 Unscaled step for mode   88=        0.0000000043
 Unscaled step for mode   89=        0.0000007453
 Unscaled step for mode   90=        0.0000003715
 Unscaled step for mode   91=       -0.0000000102
 Unscaled step for mode   92=       -0.0000009648
 Unscaled step for mode   93=       -0.0000007148
 Unscaled step for mode   94=        0.0000006862
 Unscaled step for mode   95=        0.0000006354
 Unscaled step for mode   96=        0.0000002277
 Unscaled step for mode   97=        0.0000008064
 Unscaled step for mode   98=       -0.0000007292
 Unscaled step for mode   99=       -0.0000026084
 Unscaled step for mode  100=       -0.0000032489
 Unscaled step for mode  101=        0.0000000099
 Unscaled step for mode  102=       -0.0000028844
 Unscaled step for mode  103=       -0.0000007241
 Unscaled step for mode  104=        0.0000020069
 Unscaled step for mode  105=       -0.0000019274
 Unscaled step for mode  106=        0.0000002292
 Unscaled step for mode  107=        0.0000062025
 Unscaled step for mode  108=       -0.0000021627
 Unscaled step for mode  109=       -0.0000056916
 Unscaled step for mode  110=       -0.0001277433
 Unscaled step for mode  111=        0.0004331540
 Unscaled step for mode  112=        0.0000392089
 Unscaled step for mode  113=       -0.0019143783
 Unscaled step for mode  114=       -0.1092430691
 Largest modulus ratio of non-zero e/values=           158.9869804    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.590673E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.415900E-15    0.100733E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.104257E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.484629E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.518682E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.877526E-15    0.973757E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.202412E-05    0.728279E+03  0.277932E-08 0.100000E-04    0.987687E+00
   8   -0.310239E-05    0.672736E+03  0.461160E-08 0.100000E-04    0.998990E+00
   9    0.505375E-06    0.625898E+03 -0.807439E-09 0.100000E-04    0.987125E+00
  10    0.170618E-05    0.604509E+03 -0.282242E-08 0.100000E-04    0.989825E+00
  11   -0.111734E-05    0.589026E+03  0.189693E-08 0.100000E-04    0.993450E+00
  12    0.114821E-05    0.567965E+03 -0.202162E-08 0.100000E-04    0.977413E+00
  13   -0.275995E-05    0.566120E+03  0.487520E-08 0.100000E-04    0.998057E+00
  14   -0.443144E-05    0.480933E+03  0.921426E-08 0.100000E-04    0.996145E+00
  15    0.178787E-05    0.466975E+03 -0.382862E-08 0.100000E-04    0.994062E+00
  16    0.405785E-05    0.461931E+03 -0.878454E-08 0.100000E-04    0.992181E+00
  17    0.327866E-05    0.441331E+03 -0.742903E-08 0.100000E-04    0.989449E+00
  18    0.457540E-05    0.430337E+03 -0.106321E-07 0.100000E-04    0.998239E+00
  19   -0.126819E-04    0.421413E+03  0.300937E-07 0.100000E-04    0.995821E+00
  20    0.872902E-05    0.407237E+03 -0.214348E-07 0.100000E-04    0.998724E+00
  21    0.715173E-05    0.397797E+03 -0.179784E-07 0.100000E-04    0.997573E+00
  22   -0.392601E-05    0.388825E+03  0.100971E-07 0.100000E-04    0.989688E+00
  23   -0.554331E-06    0.367402E+03  0.150878E-08 0.100000E-04    0.997014E+00
  24    0.380021E-06    0.362503E+03 -0.104833E-08 0.100000E-04    0.961495E+00
  25   -0.155813E-04    0.351461E+03  0.443328E-07 0.100000E-04    0.996519E+00
  26   -0.259722E-04    0.338250E+03  0.767841E-07 0.100000E-04    0.996147E+00
  27   -0.128767E-04    0.325077E+03  0.396113E-07 0.100000E-04    0.996346E+00
  28    0.466900E-05    0.321585E+03 -0.145187E-07 0.100000E-04    0.974529E+00
  29    0.200349E-05    0.319473E+03 -0.627124E-08 0.100000E-04    0.967828E+00
  30   -0.216050E-04    0.314905E+03  0.686078E-07 0.100000E-04    0.998226E+00
  31   -0.818648E-05    0.304736E+03  0.268642E-07 0.100000E-04    0.994537E+00
  32   -0.365495E-05    0.287942E+03  0.126934E-07 0.100000E-04    0.991941E+00
  33    0.874016E-05    0.279231E+03 -0.313008E-07 0.100000E-04    0.994196E+00
  34    0.578341E-05    0.270786E+03 -0.213579E-07 0.100000E-04    0.990091E+00
  35    0.217478E-04    0.266197E+03 -0.816982E-07 0.100000E-04    0.999029E+00
  36    0.103114E-04    0.263501E+03 -0.391325E-07 0.100000E-04    0.992111E+00
  37   -0.128128E-04    0.258613E+03  0.495441E-07 0.100000E-04    0.995009E+00
  38   -0.340050E-05    0.253722E+03  0.134024E-07 0.100000E-04    0.995169E+00
  39   -0.160637E-04    0.242662E+03  0.661977E-07 0.100000E-04    0.997048E+00
  40    0.738312E-05    0.237784E+03 -0.310497E-07 0.100000E-04    0.978740E+00
  41   -0.246118E-04    0.235681E+03  0.104428E-06 0.100000E-04    0.991656E+00
  42   -0.727293E-05    0.228700E+03  0.318012E-07 0.100000E-04    0.995970E+00
  43    0.781308E-05    0.221878E+03 -0.352134E-07 0.100000E-04    0.994484E+00
  44   -0.147122E-04    0.213131E+03  0.690289E-07 0.100000E-04    0.995130E+00
  45    0.223587E-05    0.211857E+03 -0.105537E-07 0.100000E-04    0.996381E+00
  46    0.154528E-04    0.208075E+03 -0.742658E-07 0.100000E-04    0.995072E+00
  47   -0.261531E-04    0.203348E+03  0.128613E-06 0.100000E-04    0.998070E+00
  48    0.219864E-05    0.197957E+03 -0.111067E-07 0.100000E-04    0.988321E+00
  49   -0.175454E-04    0.195485E+03  0.897533E-07 0.100000E-04    0.996722E+00
  50   -0.873805E-05    0.191596E+03  0.456065E-07 0.100000E-04    0.991277E+00
  51   -0.115572E-04    0.185134E+03  0.624262E-07 0.100000E-04    0.997075E+00
  52    0.978834E-06    0.176105E+03 -0.555823E-08 0.100000E-04    0.986664E+00
  53    0.963462E-05    0.171342E+03 -0.562302E-07 0.100000E-04    0.995991E+00
  54   -0.101639E-04    0.167666E+03  0.606199E-07 0.100000E-04    0.993817E+00
  55    0.179432E-04    0.165474E+03 -0.108435E-06 0.100000E-04    0.998356E+00
  56   -0.585969E-05    0.159780E+03  0.366735E-07 0.100000E-04    0.997296E+00
  57    0.552376E-05    0.153600E+03 -0.359620E-07 0.100000E-04    0.990482E+00
  58    0.182612E-04    0.150993E+03 -0.120940E-06 0.100000E-04    0.995124E+00
  59   -0.422473E-05    0.149117E+03  0.283316E-07 0.100000E-04    0.981862E+00
  60   -0.171255E-04    0.143059E+03  0.119709E-06 0.100000E-04    0.997277E+00
  61    0.166797E-04    0.136979E+03 -0.121769E-06 0.100000E-04    0.991168E+00
  62    0.303458E-04    0.135465E+03 -0.224012E-06 0.100000E-04    0.998014E+00
  63    0.210755E-04    0.130811E+03 -0.161115E-06 0.100000E-04    0.995444E+00
  64   -0.136539E-04    0.127745E+03  0.106884E-06 0.100000E-04    0.990784E+00
  65   -0.165734E-05    0.126061E+03  0.131471E-07 0.100000E-04    0.929964E+00
  66    0.245953E-04    0.125436E+03 -0.196078E-06 0.100000E-04    0.996692E+00
  67   -0.335022E-05    0.119584E+03  0.280157E-07 0.100000E-04    0.999005E+00
  68   -0.778967E-05    0.117993E+03  0.660181E-07 0.100000E-04    0.995967E+00
  69    0.325854E-05    0.116854E+03 -0.278857E-07 0.100000E-04    0.984932E+00
  70   -0.186056E-04    0.111568E+03  0.166764E-06 0.100000E-04    0.997799E+00
  71   -0.336218E-05    0.108708E+03  0.309286E-07 0.100000E-04    0.993081E+00
  72    0.397020E-04    0.105026E+03 -0.378019E-06 0.100000E-04    0.993684E+00
  73    0.199905E-04    0.102989E+03 -0.194103E-06 0.100000E-04    0.994989E+00
  74   -0.296108E-04    0.999463E+02  0.296267E-06 0.100000E-04    0.997861E+00
  75   -0.427611E-04    0.965565E+02  0.442861E-06 0.100000E-04    0.992836E+00
  76    0.282638E-04    0.951179E+02 -0.297145E-06 0.100000E-04    0.999147E+00
  77   -0.595196E-04    0.918795E+02  0.647801E-06 0.100000E-04    0.998191E+00
  78    0.825548E-06    0.904815E+02 -0.912394E-08 0.100000E-04    0.955757E+00
  79    0.217224E-04    0.896633E+02 -0.242266E-06 0.100000E-04    0.994411E+00
  80   -0.176122E-04    0.847538E+02  0.207804E-06 0.100000E-04    0.996877E+00
  81    0.173222E-04    0.809111E+02 -0.214089E-06 0.100000E-04    0.996410E+00
  82   -0.898274E-05    0.795884E+02  0.112865E-06 0.100000E-04    0.992685E+00
  83    0.132739E-04    0.784117E+02 -0.169284E-06 0.100000E-04    0.999718E+00
  84    0.278571E-04    0.727320E+02 -0.383009E-06 0.100000E-04    0.993001E+00
  85    0.385120E-04    0.718413E+02 -0.536070E-06 0.100000E-04    0.994686E+00
  86    0.194823E-04    0.683178E+02 -0.285172E-06 0.100000E-04    0.982897E+00
  87   -0.342452E-04    0.675725E+02  0.506792E-06 0.100000E-04    0.992195E+00
  88   -0.269375E-06    0.633664E+02  0.425107E-08 0.100000E-04    0.986552E+00
  89   -0.454363E-04    0.609631E+02  0.745309E-06 0.100000E-04    0.995839E+00
  90   -0.221637E-04    0.596656E+02  0.371466E-06 0.100000E-04    0.991483E+00
  91    0.603330E-06    0.589638E+02 -0.102322E-07 0.100000E-04    0.978829E+00
  92    0.539909E-04    0.559580E+02 -0.964846E-06 0.100000E-04    0.998056E+00
  93    0.379681E-04    0.531155E+02 -0.714821E-06 0.100000E-04    0.999404E+00
  94   -0.358433E-04    0.522308E+02  0.686248E-06 0.100000E-04    0.994397E+00
  95   -0.318900E-04    0.501920E+02  0.635359E-06 0.100000E-04    0.999948E+00
  96   -0.108890E-04    0.478240E+02  0.227690E-06 0.100000E-04    0.994525E+00
  97   -0.347161E-04    0.430515E+02  0.806384E-06 0.100000E-04    0.993297E+00
  98    0.293026E-04    0.401835E+02 -0.729219E-06 0.100000E-04    0.993784E+00
  99    0.967438E-04    0.370897E+02 -0.260837E-05 0.100000E-04    0.993194E+00
 100    0.116279E-03    0.357898E+02 -0.324893E-05 0.100000E-04    0.999423E+00
 101   -0.351377E-06    0.355540E+02  0.988294E-08 0.100000E-04    0.513985E+01
 102    0.832573E-04    0.288648E+02 -0.288439E-05 0.100000E-04    0.994844E+00
 103    0.208065E-04    0.287328E+02 -0.724138E-06 0.100000E-04    0.984629E+00
 104   -0.565760E-04    0.281906E+02  0.200691E-05 0.100000E-04    0.991249E+00
 105    0.441876E-04    0.229260E+02 -0.192740E-05 0.100000E-04    0.995497E+00
 106   -0.499974E-05    0.218142E+02  0.229197E-06 0.100000E-04    0.872535E+00
 107   -0.124033E-03    0.199974E+02  0.620246E-05 0.100000E-04    0.999507E+00
 108    0.363817E-04    0.168222E+02 -0.216272E-05 0.100000E-04    0.980993E+00
 109    0.783739E-04    0.137701E+02 -0.569161E-05 0.100000E-04    0.998924E+00
 110    0.157078E-02    0.122963E+02 -0.100000E-04 0.100000E-04    0.676188E+00
 111   -0.429713E-02    0.992056E+01  0.100000E-04 0.100000E-04    0.490652E+00
 112   -0.374934E-03    0.956247E+01  0.100000E-04 0.100000E-04    0.475395E+00
 113    0.143660E-01    0.750425E+01 -0.132106E-04 0.132106E-04    0.101002E+00
 114   -0.506459E+00    0.458075E+01 -0.400000E-03 0.400000E-03    0.338167E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1092430691    

 Beginning of optimization cycle  247.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3757520951
 potential> RMS force:                                               0.0476263270   |gradient|=.5085100199    
 Eigenvalues of the Hessian matrix:
   728.33982    672.74760    625.91193    604.50872    589.01795    568.00457 
   566.13494    480.95538    466.95160    461.92216    441.33166    430.32915 
   421.41911    407.24627    397.79216    388.82605    367.40719    362.49337 
   351.45341    338.21992    325.08496    321.58342    319.48582    314.87706 
   304.72871    287.94877    279.22576    270.78289    266.20417    263.51065 
   258.62272    253.72511    242.65634    237.77975    235.68326    228.69886 
   221.85796    213.13780    211.86171    208.06377    203.35142    197.95234 
   195.48326    191.59604    185.12413    176.09212    171.34846    167.66262 
   165.47052    159.77174    153.60316    150.99499    149.11545    143.06173 
   136.97992    135.47032    130.80885    127.74784    126.06107    125.44025 
   119.58562    117.99366    116.85614    111.56116    108.69697    105.02291 
   102.99102     99.94347     96.54831     95.11735     91.89112     90.47739 
    89.66976     84.75654     80.91135     79.59132     78.41006     72.73157 
    71.84527     68.31648     67.56280     63.36553     60.95298     59.66604 
    58.96573     55.95930     53.11116     52.23106     50.19061     47.82164 
    43.04851     40.18575     37.09264     35.79566     35.54415     28.86402 
    28.73219     28.18228     22.92519     21.81075     20.00207     16.82236 
    13.77010     12.29537      9.91465      9.55869      7.50175      4.57734 
overlap for current and previous eigenvector    109 is        -0.9999993484
overlap for current and previous eigenvector    110 is         0.9999992498
overlap for current and previous eigenvector    111 is         0.9998281343
overlap for current and previous eigenvector    112 is         0.9998271747
overlap for current and previous eigenvector    113 is        -0.9999966522
overlap for current and previous eigenvector    114 is        -0.9999996488
J1,K1,R1,R2,RAT=   7   7   -0.1073412358E-01     2.010567013        0.9892658764    
FOB,PFOB,DIAG,PSTEP=   -0.2045850948E-05   -0.2024121957E-05     728.3398182        0.2779322298E-08
J1,K1,R1,R2,RAT=   8   8   -0.1030215985E-01     2.010266240        0.9896978402    
FOB,PFOB,DIAG,PSTEP=   -0.3134351407E-05   -0.3102389520E-05     672.7475959        0.4611603607E-08
J1,K1,R1,R2,RAT=   9   9    0.9648777464E-02     1.990306861        0.9903068609    
FOB,PFOB,DIAG,PSTEP=    0.5004982028E-06    0.5053745576E-06     625.9119313       -0.8074391016E-09
J1,K1,R1,R2,RAT=  10  10    0.5536232836E-02     1.994465734        0.9944637672    
FOB,PFOB,DIAG,PSTEP=    0.1696731114E-05    0.1706176897E-05     604.5087175       -0.2822416236E-08
J1,K1,R1,R2,RAT=  11  11    0.9978782778E-03     1.999028830        0.9990021217    
FOB,PFOB,DIAG,PSTEP=   -0.1116225352E-05   -0.1117340307E-05     589.0179472        0.1896929273E-08
J1,K1,R1,R2,RAT= 109 109     2.000874130       -0.8770691716E-03    0.9991229308    
FOB,PFOB,DIAG,PSTEP=   -0.7844262478E-04    0.7837388536E-04     13.77009684       -0.5691608524E-05
J1,K1,R1,R2,RAT= 110 110   -0.3231723564         25.87385753        0.6768276436    
FOB,PFOB,DIAG,PSTEP=    0.1610510889E-02    0.1570775652E-02     12.29537009       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4990098386         87.18145352        0.5009901614    
FOB,PFOB,DIAG,PSTEP=   -0.4346603723E-02   -0.4297128665E-02     9.914645878        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.5849599126         8.429837689        0.4150400874    
FOB,PFOB,DIAG,PSTEP=   -0.4308483392E-03   -0.3749338266E-03     9.558691347        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     290.6740429       -0.7520762433        0.2479237567    
FOB,PFOB,DIAG,PSTEP=   -0.1444056272E-01    0.1436602991E-01     7.501745669       -0.1321062314E-04
J1,K1,R1,R2,RAT= 114 114    -554.2203988        0.9965830802        0.3416919785E-02
FOB,PFOB,DIAG,PSTEP=    0.5082835276       -0.5064588472         4.577341329       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00002     -0.00001 
     0.00001     -0.00001      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000      0.00001     -0.00001 
     0.00002      0.00001     -0.00001     -0.00002     -0.00000      0.00002 
    -0.00002     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
    -0.00000     -0.00001      0.00000      0.00002      0.00000      0.00004 
     0.00002     -0.00003     -0.00004      0.00003      0.00006      0.00000 
     0.00002     -0.00002      0.00002     -0.00001      0.00001      0.00003 
     0.00004     -0.00002      0.00003     -0.00000     -0.00005     -0.00002 
     0.00000      0.00005     -0.00004      0.00004     -0.00003     -0.00001 
     0.00003     -0.00003      0.00010      0.00012      0.00000     -0.00008 
    -0.00002      0.00006     -0.00004     -0.00000     -0.00012      0.00004 
    -0.00008      0.00161     -0.00435     -0.00043     -0.01444      0.50828 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4355227767
 Log product of positive Hessian eigenvalues =          520.0965163025
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5773413291
 Unscaled step for mode    7=        0.0000000028
 Unscaled step for mode    8=        0.0000000047
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000019
 Unscaled step for mode   13=        0.0000000049
 Unscaled step for mode   14=        0.0000000091
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000088
 Unscaled step for mode   17=       -0.0000000074
 Unscaled step for mode   18=       -0.0000000106
 Unscaled step for mode   19=        0.0000000302
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000102
 Unscaled step for mode   23=        0.0000000014
 Unscaled step for mode   24=       -0.0000000010
 Unscaled step for mode   25=        0.0000000445
 Unscaled step for mode   26=        0.0000000770
 Unscaled step for mode   27=        0.0000000398
 Unscaled step for mode   28=       -0.0000000148
 Unscaled step for mode   29=       -0.0000000064
 Unscaled step for mode   30=        0.0000000689
 Unscaled step for mode   31=        0.0000000271
 Unscaled step for mode   32=        0.0000000128
 Unscaled step for mode   33=       -0.0000000314
 Unscaled step for mode   34=       -0.0000000215
 Unscaled step for mode   35=       -0.0000000819
 Unscaled step for mode   36=       -0.0000000395
 Unscaled step for mode   37=        0.0000000498
 Unscaled step for mode   38=        0.0000000134
 Unscaled step for mode   39=        0.0000000663
 Unscaled step for mode   40=       -0.0000000304
 Unscaled step for mode   41=        0.0000001054
 Unscaled step for mode   42=        0.0000000320
 Unscaled step for mode   43=       -0.0000000356
 Unscaled step for mode   44=        0.0000000697
 Unscaled step for mode   45=       -0.0000000103
 Unscaled step for mode   46=       -0.0000000748
 Unscaled step for mode   47=        0.0000001291
 Unscaled step for mode   48=       -0.0000000112
 Unscaled step for mode   49=        0.0000000903
 Unscaled step for mode   50=        0.0000000454
 Unscaled step for mode   51=        0.0000000628
 Unscaled step for mode   52=       -0.0000000057
 Unscaled step for mode   53=       -0.0000000564
 Unscaled step for mode   54=        0.0000000612
 Unscaled step for mode   55=       -0.0000001087
 Unscaled step for mode   56=       -0.0000000367
 Unscaled step for mode   57=        0.0000000362
 Unscaled step for mode   58=        0.0000001215
 Unscaled step for mode   59=        0.0000000280
 Unscaled step for mode   60=       -0.0000001203
 Unscaled step for mode   61=        0.0000001223
 Unscaled step for mode   62=        0.0000002241
 Unscaled step for mode   63=        0.0000001611
 Unscaled step for mode   64=       -0.0000001079
 Unscaled step for mode   65=       -0.0000000137
 Unscaled step for mode   66=        0.0000001962
 Unscaled step for mode   67=        0.0000000286
 Unscaled step for mode   68=        0.0000000661
 Unscaled step for mode   69=       -0.0000000280
 Unscaled step for mode   70=       -0.0000001679
 Unscaled step for mode   71=       -0.0000000312
 Unscaled step for mode   72=       -0.0000003796
 Unscaled step for mode   73=       -0.0000001951
 Unscaled step for mode   74=        0.0000002961
 Unscaled step for mode   75=        0.0000004462
 Unscaled step for mode   76=       -0.0000002971
 Unscaled step for mode   77=       -0.0000006490
 Unscaled step for mode   78=       -0.0000000086
 Unscaled step for mode   79=       -0.0000002398
 Unscaled step for mode   80=        0.0000002087
 Unscaled step for mode   81=       -0.0000002147
 Unscaled step for mode   82=        0.0000001110
 Unscaled step for mode   83=       -0.0000001702
 Unscaled step for mode   84=       -0.0000003842
 Unscaled step for mode   85=       -0.0000005365
 Unscaled step for mode   86=        0.0000002796
 Unscaled step for mode   87=       -0.0000005104
 Unscaled step for mode   88=        0.0000000053
 Unscaled step for mode   89=        0.0000007472
 Unscaled step for mode   90=        0.0000003714
 Unscaled step for mode   91=       -0.0000000100
 Unscaled step for mode   92=       -0.0000009677
 Unscaled step for mode   93=        0.0000007126
 Unscaled step for mode   94=       -0.0000006880
 Unscaled step for mode   95=        0.0000006328
 Unscaled step for mode   96=        0.0000002285
 Unscaled step for mode   97=       -0.0000008063
 Unscaled step for mode   98=        0.0000007323
 Unscaled step for mode   99=       -0.0000026145
 Unscaled step for mode  100=       -0.0000032439
 Unscaled step for mode  101=       -0.0000000154
 Unscaled step for mode  102=        0.0000028907
 Unscaled step for mode  103=        0.0000007073
 Unscaled step for mode  104=       -0.0000020131
 Unscaled step for mode  105=        0.0000019329
 Unscaled step for mode  106=        0.0000002158
 Unscaled step for mode  107=        0.0000061943
 Unscaled step for mode  108=       -0.0000021510
 Unscaled step for mode  109=        0.0000056966
 Unscaled step for mode  110=       -0.0001309851
 Unscaled step for mode  111=        0.0004384022
 Unscaled step for mode  112=        0.0000450740
 Unscaled step for mode  113=        0.0019249532
 Unscaled step for mode  114=        0.1097069215
 Largest modulus ratio of non-zero e/values=           159.1185288    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.542752E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.493963E-15    0.100733E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.378712E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.572459E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.516408E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.727391E-15    0.973758E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.204585E-05    0.728340E+03  0.280892E-08 0.100000E-04    0.989266E+00
   8   -0.313435E-05    0.672748E+03  0.465903E-08 0.100000E-04    0.989698E+00
   9    0.500498E-06    0.625912E+03 -0.799630E-09 0.100000E-04    0.990307E+00
  10    0.169673E-05    0.604509E+03 -0.280679E-08 0.100000E-04    0.994464E+00
  11   -0.111623E-05    0.589018E+03  0.189506E-08 0.100000E-04    0.999002E+00
  12    0.109496E-05    0.568005E+03 -0.192773E-08 0.100000E-04    0.953488E+00
  13   -0.278998E-05    0.566135E+03  0.492811E-08 0.100000E-04    0.989120E+00
  14   -0.439636E-05    0.480955E+03  0.914089E-08 0.100000E-04    0.991990E+00
  15    0.179402E-05    0.466952E+03 -0.384198E-08 0.100000E-04    0.996562E+00
  16    0.407571E-05    0.461922E+03 -0.882336E-08 0.100000E-04    0.995600E+00
  17    0.328226E-05    0.441332E+03 -0.743717E-08 0.100000E-04    0.998903E+00
  18    0.458211E-05    0.430329E+03 -0.106479E-07 0.100000E-04    0.998533E+00
  19   -0.127161E-04    0.421419E+03  0.301745E-07 0.100000E-04    0.997304E+00
  20    0.870976E-05    0.407246E+03 -0.213870E-07 0.100000E-04    0.997746E+00
  21    0.715028E-05    0.397792E+03 -0.179749E-07 0.100000E-04    0.999798E+00
  22   -0.396331E-05    0.388826E+03  0.101930E-07 0.100000E-04    0.990499E+00
  23   -0.529566E-06    0.367407E+03  0.144136E-08 0.100000E-04    0.955299E+00
  24    0.359861E-06    0.362493E+03 -0.992737E-09 0.100000E-04    0.946947E+00
  25   -0.156320E-04    0.351453E+03  0.444781E-07 0.100000E-04    0.996744E+00
  26   -0.260581E-04    0.338220E+03  0.770447E-07 0.100000E-04    0.996695E+00
  27   -0.129314E-04    0.325085E+03  0.397785E-07 0.100000E-04    0.995754E+00
  28    0.477438E-05    0.321583E+03 -0.148465E-07 0.100000E-04    0.977431E+00
  29    0.204352E-05    0.319486E+03 -0.639627E-08 0.100000E-04    0.980023E+00
  30   -0.216853E-04    0.314877E+03  0.688690E-07 0.100000E-04    0.996282E+00
  31   -0.826476E-05    0.304729E+03  0.271217E-07 0.100000E-04    0.990438E+00
  32   -0.368131E-05    0.287949E+03  0.127846E-07 0.100000E-04    0.992789E+00
  33    0.876144E-05    0.279226E+03 -0.313776E-07 0.100000E-04    0.997565E+00
  34    0.581737E-05    0.270783E+03 -0.214835E-07 0.100000E-04    0.994127E+00
  35    0.218101E-04    0.266204E+03 -0.819300E-07 0.100000E-04    0.997137E+00
  36    0.104041E-04    0.263511E+03 -0.394826E-07 0.100000E-04    0.991015E+00
  37   -0.128729E-04    0.258623E+03  0.497750E-07 0.100000E-04    0.995304E+00
  38   -0.339183E-05    0.253725E+03  0.133681E-07 0.100000E-04    0.997430E+00
  39   -0.160944E-04    0.242656E+03  0.663260E-07 0.100000E-04    0.998085E+00
  40    0.723460E-05    0.237780E+03 -0.304256E-07 0.100000E-04    0.979884E+00
  41   -0.248412E-04    0.235683E+03  0.105401E-06 0.100000E-04    0.990680E+00
  42   -0.732966E-05    0.228699E+03  0.320494E-07 0.100000E-04    0.992200E+00
  43    0.788971E-05    0.221858E+03 -0.355620E-07 0.100000E-04    0.990190E+00
  44   -0.148566E-04    0.213138E+03  0.697040E-07 0.100000E-04    0.990187E+00
  45    0.217912E-05    0.211862E+03 -0.102856E-07 0.100000E-04    0.974577E+00
  46    0.155562E-04    0.208064E+03 -0.747665E-07 0.100000E-04    0.993311E+00
  47   -0.262507E-04    0.203351E+03  0.129090E-06 0.100000E-04    0.996270E+00
  48    0.222388E-05    0.197952E+03 -0.112344E-07 0.100000E-04    0.988518E+00
  49   -0.176537E-04    0.195483E+03  0.903082E-07 0.100000E-04    0.993825E+00
  50   -0.870378E-05    0.191596E+03  0.454277E-07 0.100000E-04    0.996077E+00
  51   -0.116284E-04    0.185124E+03  0.628140E-07 0.100000E-04    0.993842E+00
  52    0.100869E-05    0.176092E+03 -0.572822E-08 0.100000E-04    0.969492E+00
  53    0.966631E-05    0.171348E+03 -0.564132E-07 0.100000E-04    0.996711E+00
  54   -0.102564E-04    0.167663E+03  0.611728E-07 0.100000E-04    0.990898E+00
  55    0.179861E-04    0.165471E+03 -0.108697E-06 0.100000E-04    0.997611E+00
  56    0.585770E-05    0.159772E+03 -0.366629E-07 0.100000E-04    0.999660E+00
  57   -0.556215E-05    0.153603E+03  0.362112E-07 0.100000E-04    0.993050E+00
  58   -0.183414E-04    0.150995E+03  0.121470E-06 0.100000E-04    0.995608E+00
  59   -0.417987E-05    0.149115E+03  0.280311E-07 0.100000E-04    0.989382E+00
  60    0.172042E-04    0.143062E+03 -0.120257E-06 0.100000E-04    0.995404E+00
  61   -0.167534E-04    0.136980E+03  0.122306E-06 0.100000E-04    0.995584E+00
  62   -0.303588E-04    0.135470E+03  0.224100E-06 0.100000E-04    0.999572E+00
  63   -0.210775E-04    0.130809E+03  0.161132E-06 0.100000E-04    0.999905E+00
  64    0.137876E-04    0.127748E+03 -0.107928E-06 0.100000E-04    0.990210E+00
  65    0.172616E-05    0.126061E+03 -0.136931E-07 0.100000E-04    0.958476E+00
  66   -0.246149E-04    0.125440E+03  0.196228E-06 0.100000E-04    0.999201E+00
  67   -0.341487E-05    0.119586E+03  0.285559E-07 0.100000E-04    0.980703E+00
  68   -0.780224E-05    0.117994E+03  0.661242E-07 0.100000E-04    0.998386E+00
  69    0.327067E-05    0.116856E+03 -0.279888E-07 0.100000E-04    0.996279E+00
  70    0.187333E-04    0.111561E+03 -0.167920E-06 0.100000E-04    0.993133E+00
  71    0.339307E-05    0.108697E+03 -0.312159E-07 0.100000E-04    0.990811E+00
  72    0.398627E-04    0.105023E+03 -0.379562E-06 0.100000E-04    0.995951E+00
  73    0.200924E-04    0.102991E+03 -0.195089E-06 0.100000E-04    0.994903E+00
  74   -0.295892E-04    0.999435E+02  0.296059E-06 0.100000E-04    0.999271E+00
  75   -0.430820E-04    0.965483E+02  0.446222E-06 0.100000E-04    0.992494E+00
  76    0.282570E-04    0.951174E+02 -0.297075E-06 0.100000E-04    0.999758E+00
  77    0.596388E-04    0.918911E+02 -0.649015E-06 0.100000E-04    0.997998E+00
  78    0.778615E-06    0.904774E+02 -0.860563E-08 0.100000E-04    0.943147E+00
  79    0.214997E-04    0.896698E+02 -0.239765E-06 0.100000E-04    0.989605E+00
  80   -0.176846E-04    0.847565E+02  0.208652E-06 0.100000E-04    0.995886E+00
  81    0.173742E-04    0.809114E+02 -0.214731E-06 0.100000E-04    0.997000E+00
  82   -0.883602E-05    0.795913E+02  0.111017E-06 0.100000E-04    0.983594E+00
  83    0.133485E-04    0.784101E+02 -0.170239E-06 0.100000E-04    0.994379E+00
  84    0.279431E-04    0.727316E+02 -0.384195E-06 0.100000E-04    0.996910E+00
  85    0.385428E-04    0.718453E+02 -0.536469E-06 0.100000E-04    0.999200E+00
  86   -0.191040E-04    0.683165E+02  0.279640E-06 0.100000E-04    0.980583E+00
  87    0.344813E-04    0.675628E+02 -0.510360E-06 0.100000E-04    0.993105E+00
  88   -0.336334E-06    0.633655E+02  0.530784E-08 0.100000E-04    0.751424E+00
  89   -0.455469E-04    0.609530E+02  0.747247E-06 0.100000E-04    0.997566E+00
  90   -0.221613E-04    0.596660E+02  0.371422E-06 0.100000E-04    0.999871E+00
  91    0.588058E-06    0.589657E+02 -0.997288E-08 0.100000E-04    0.974623E+00
  92    0.541522E-04    0.559593E+02 -0.967707E-06 0.100000E-04    0.997012E+00
  93   -0.378488E-04    0.531112E+02  0.712633E-06 0.100000E-04    0.996856E+00
  94    0.359339E-04    0.522311E+02 -0.687979E-06 0.100000E-04    0.997472E+00
  95   -0.317594E-04    0.501906E+02  0.632775E-06 0.100000E-04    0.995904E+00
  96   -0.109282E-04    0.478216E+02  0.228519E-06 0.100000E-04    0.996407E+00
  97    0.347094E-04    0.430485E+02 -0.806285E-06 0.100000E-04    0.999807E+00
  98   -0.294270E-04    0.401857E+02  0.732275E-06 0.100000E-04    0.995753E+00
  99    0.969806E-04    0.370926E+02 -0.261455E-05 0.100000E-04    0.997553E+00
 100    0.116116E-03    0.357957E+02 -0.324386E-05 0.100000E-04    0.998276E+00
 101    0.548746E-06    0.355442E+02 -0.154384E-07 0.100000E-04    0.438147E+00
 102   -0.834374E-04    0.288640E+02  0.289071E-05 0.100000E-04    0.997837E+00
 103   -0.203228E-04    0.287322E+02  0.707319E-06 0.100000E-04    0.976753E+00
 104    0.567344E-04    0.281823E+02 -0.201312E-05 0.100000E-04    0.997199E+00
 105   -0.443120E-04    0.229252E+02  0.193290E-05 0.100000E-04    0.997185E+00
 106   -0.470620E-05    0.218108E+02  0.215774E-06 0.100000E-04    0.941280E+00
 107   -0.123898E-03    0.200021E+02  0.619426E-05 0.100000E-04    0.998447E+00
 108    0.361857E-04    0.168224E+02 -0.215105E-05 0.100000E-04    0.994590E+00
 109   -0.784426E-04    0.137701E+02  0.569659E-05 0.100000E-04    0.999123E+00
 110    0.161051E-02    0.122954E+02 -0.100000E-04 0.100000E-04    0.676828E+00
 111   -0.434660E-02    0.991465E+01  0.100000E-04 0.100000E-04    0.500990E+00
 112   -0.430848E-03    0.955869E+01  0.100000E-04 0.100000E-04    0.415040E+00
 113   -0.144406E-01    0.750175E+01  0.119015E-04 0.119015E-04    0.247924E+00
 114    0.508284E+00    0.457734E+01  0.400000E-03 0.400000E-03    0.341692E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1097069215    

 Beginning of optimization cycle  248.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3755486507
 potential> RMS force:                                               0.0477972965   |gradient|=.5103354747    
 Eigenvalues of the Hessian matrix:
   728.40073    672.75973    625.92580    604.50792    589.01013    568.04451 
   566.14930    480.97804    466.92852    461.91374    441.33198    430.32079 
   421.42483    407.25587    397.78776    388.82715    367.41204    362.48395 
   351.44567    338.18976    325.09319    321.58173    319.49852    314.84862 
   304.72152    287.95511    279.22015    270.78009    266.21107    263.52043 
   258.63204    253.72780    242.65064    237.77563    235.68492    228.69806 
   221.83786    213.14473    211.86641    208.05262    203.35444    197.94796 
   195.48174    191.59567    185.11384    176.07886    171.35459    167.65953 
   165.46694    159.76375    153.60633    150.99705    149.11338    143.06449 
   136.98075    135.47539    130.80717    127.75028    126.06112    125.44440 
   119.58742    117.99441    116.85857    111.55418    108.68622    105.01951 
   102.99261     99.94070     96.54015     95.11674     91.90279     90.47328 
    89.67614     84.75921     80.91155     79.59423     78.40840     72.73116 
    71.84930     68.31533     67.55297     63.36469     60.94289     59.66654 
    58.96767     55.96057     53.10684     52.23136     50.18918     47.81931 
    43.04552     40.18800     37.09565     35.80154     35.53436     28.86322 
    28.73161     28.17400     22.92440     21.80727     20.00674     16.82254 
    13.77012     12.29440      9.90899      9.55468      7.49921      4.57392 
overlap for current and previous eigenvector    109 is         0.9999993550
overlap for current and previous eigenvector    110 is        -0.9999992556
overlap for current and previous eigenvector    111 is         0.9998254117
overlap for current and previous eigenvector    112 is         0.9998243122
overlap for current and previous eigenvector    113 is         0.9999966115
overlap for current and previous eigenvector    114 is        -0.9999996514
J1,K1,R1,R2,RAT=   7   7   -0.1213051237E-01     2.011963270        0.9878694876    
FOB,PFOB,DIAG,PSTEP=   -0.2070670243E-05   -0.2045850948E-05     728.4007280        0.2808923660E-08
J1,K1,R1,R2,RAT=   8   8   -0.1086947167E-02     2.001050876        0.9989130528    
FOB,PFOB,DIAG,PSTEP=   -0.3137758343E-05   -0.3134351407E-05     672.7597294        0.4659030260E-08
J1,K1,R1,R2,RAT=   9   9    0.1262862068E-01     1.987327070        0.9873270704    
FOB,PFOB,DIAG,PSTEP=    0.4941774608E-06    0.5004982028E-06     625.9257983       -0.7996303917E-09
J1,K1,R1,R2,RAT=  10  10   -0.1006487643E-01     2.010067519        0.9899351236    
FOB,PFOB,DIAG,PSTEP=    0.1713808480E-05    0.1696731114E-05     604.5079186       -0.2806793458E-08
J1,K1,R1,R2,RAT=  11  11   -0.6697608045E-02     2.006724152        0.9933023920    
FOB,PFOB,DIAG,PSTEP=   -0.1123701293E-05   -0.1116225352E-05     589.0101297        0.1895061700E-08
J1,K1,R1,R2,RAT= 109 109    0.1190826630E-02     1.998805091        0.9988050906    
FOB,PFOB,DIAG,PSTEP=   -0.7834921302E-04   -0.7844262478E-04     13.77012495        0.5696592094E-05
J1,K1,R1,R2,RAT= 110 110     26.53234997       -0.3332600137        0.6667399863    
FOB,PFOB,DIAG,PSTEP=   -0.1651483219E-02    0.1610510889E-02     12.29440329       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4671255142         88.19759829        0.5328744858    
FOB,PFOB,DIAG,PSTEP=   -0.4392891163E-02   -0.4346603723E-02     9.908994185        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6174086443         9.635990363        0.3825913557    
FOB,PFOB,DIAG,PSTEP=   -0.4898397631E-03   -0.4308483392E-03     9.554680605        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9321891610         324.5243642        0.6781083901E-01
FOB,PFOB,DIAG,PSTEP=   -0.1452376211E-01   -0.1444056272E-01     7.499214513        0.1190146229E-04
J1,K1,R1,R2,RAT= 114 114    -556.6289973        0.9965863346        0.3413665440E-02
FOB,PFOB,DIAG,PSTEP=   -0.5101068496        0.5082835276         4.573918993        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00001      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002     -0.00003     -0.00002      0.00001      0.00000      0.00002 
     0.00000     -0.00001     -0.00000     -0.00002     -0.00000      0.00004 
     0.00002     -0.00003     -0.00004      0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004      0.00002     -0.00003      0.00000      0.00005      0.00002 
     0.00000      0.00005     -0.00004      0.00004     -0.00003     -0.00001 
    -0.00003     -0.00003     -0.00010      0.00012     -0.00000      0.00008 
    -0.00002      0.00006      0.00004     -0.00001     -0.00012      0.00004 
    -0.00008     -0.00165     -0.00439     -0.00049     -0.01452     -0.51011 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4354361592
 Log product of positive Hessian eigenvalues =          520.0935076793
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5739189932
 Unscaled step for mode    7=        0.0000000028
 Unscaled step for mode    8=        0.0000000047
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000019
 Unscaled step for mode   13=        0.0000000049
 Unscaled step for mode   14=        0.0000000091
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000089
 Unscaled step for mode   17=       -0.0000000075
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000303
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000103
 Unscaled step for mode   23=        0.0000000014
 Unscaled step for mode   24=       -0.0000000010
 Unscaled step for mode   25=        0.0000000446
 Unscaled step for mode   26=        0.0000000773
 Unscaled step for mode   27=        0.0000000399
 Unscaled step for mode   28=       -0.0000000152
 Unscaled step for mode   29=       -0.0000000066
 Unscaled step for mode   30=        0.0000000690
 Unscaled step for mode   31=        0.0000000273
 Unscaled step for mode   32=        0.0000000129
 Unscaled step for mode   33=       -0.0000000316
 Unscaled step for mode   34=       -0.0000000217
 Unscaled step for mode   35=       -0.0000000820
 Unscaled step for mode   36=       -0.0000000398
 Unscaled step for mode   37=        0.0000000500
 Unscaled step for mode   38=        0.0000000133
 Unscaled step for mode   39=        0.0000000665
 Unscaled step for mode   40=       -0.0000000297
 Unscaled step for mode   41=        0.0000001063
 Unscaled step for mode   42=        0.0000000322
 Unscaled step for mode   43=       -0.0000000358
 Unscaled step for mode   44=        0.0000000700
 Unscaled step for mode   45=       -0.0000000103
 Unscaled step for mode   46=       -0.0000000751
 Unscaled step for mode   47=        0.0000001293
 Unscaled step for mode   48=       -0.0000000114
 Unscaled step for mode   49=        0.0000000906
 Unscaled step for mode   50=        0.0000000458
 Unscaled step for mode   51=        0.0000000630
 Unscaled step for mode   52=        0.0000000058
 Unscaled step for mode   53=        0.0000000566
 Unscaled step for mode   54=       -0.0000000616
 Unscaled step for mode   55=       -0.0000001089
 Unscaled step for mode   56=        0.0000000368
 Unscaled step for mode   57=       -0.0000000366
 Unscaled step for mode   58=        0.0000001220
 Unscaled step for mode   59=       -0.0000000275
 Unscaled step for mode   60=       -0.0000001206
 Unscaled step for mode   61=        0.0000001234
 Unscaled step for mode   62=        0.0000002245
 Unscaled step for mode   63=        0.0000001619
 Unscaled step for mode   64=       -0.0000001089
 Unscaled step for mode   65=       -0.0000000146
 Unscaled step for mode   66=       -0.0000001968
 Unscaled step for mode   67=       -0.0000000286
 Unscaled step for mode   68=        0.0000000664
 Unscaled step for mode   69=        0.0000000284
 Unscaled step for mode   70=        0.0000001683
 Unscaled step for mode   71=        0.0000000314
 Unscaled step for mode   72=       -0.0000003819
 Unscaled step for mode   73=       -0.0000001961
 Unscaled step for mode   74=        0.0000002967
 Unscaled step for mode   75=        0.0000004495
 Unscaled step for mode   76=       -0.0000002968
 Unscaled step for mode   77=        0.0000006501
 Unscaled step for mode   78=       -0.0000000082
 Unscaled step for mode   79=       -0.0000002384
 Unscaled step for mode   80=        0.0000002093
 Unscaled step for mode   81=        0.0000002155
 Unscaled step for mode   82=       -0.0000001102
 Unscaled step for mode   83=       -0.0000001702
 Unscaled step for mode   84=       -0.0000003869
 Unscaled step for mode   85=        0.0000005393
 Unscaled step for mode   86=       -0.0000002747
 Unscaled step for mode   87=        0.0000005142
 Unscaled step for mode   88=       -0.0000000053
 Unscaled step for mode   89=       -0.0000007505
 Unscaled step for mode   90=       -0.0000003746
 Unscaled step for mode   91=       -0.0000000097
 Unscaled step for mode   92=       -0.0000009695
 Unscaled step for mode   93=        0.0000007130
 Unscaled step for mode   94=       -0.0000006918
 Unscaled step for mode   95=        0.0000006327
 Unscaled step for mode   96=        0.0000002273
 Unscaled step for mode   97=        0.0000008117
 Unscaled step for mode   98=        0.0000007368
 Unscaled step for mode   99=        0.0000026318
 Unscaled step for mode  100=       -0.0000032424
 Unscaled step for mode  101=        0.0000000268
 Unscaled step for mode  102=       -0.0000029054
 Unscaled step for mode  103=        0.0000006955
 Unscaled step for mode  104=       -0.0000020310
 Unscaled step for mode  105=       -0.0000019416
 Unscaled step for mode  106=        0.0000002416
 Unscaled step for mode  107=        0.0000061958
 Unscaled step for mode  108=       -0.0000021091
 Unscaled step for mode  109=        0.0000056898
 Unscaled step for mode  110=        0.0001343280
 Unscaled step for mode  111=        0.0004433235
 Unscaled step for mode  112=        0.0000512670
 Unscaled step for mode  113=        0.0019366972
 Unscaled step for mode  114=       -0.1101714529
 Largest modulus ratio of non-zero e/values=           159.2509026    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.122515E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.181929E-15    0.100732E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.457967E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.452679E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.337010E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.476154E-15    0.973760E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.207067E-05    0.728401E+03  0.284276E-08 0.100000E-04    0.987869E+00
   8   -0.313776E-05    0.672760E+03  0.466401E-08 0.100000E-04    0.998913E+00
   9    0.494177E-06    0.625926E+03 -0.789514E-09 0.100000E-04    0.987327E+00
  10    0.171381E-05    0.604508E+03 -0.283505E-08 0.100000E-04    0.989935E+00
  11   -0.112370E-05    0.589010E+03  0.190778E-08 0.100000E-04    0.993302E+00
  12    0.106905E-05    0.568045E+03 -0.188199E-08 0.100000E-04    0.976201E+00
  13   -0.279495E-05    0.566149E+03  0.493676E-08 0.100000E-04    0.998219E+00
  14   -0.437913E-05    0.480978E+03  0.910464E-08 0.100000E-04    0.995988E+00
  15    0.178373E-05    0.466929E+03 -0.382013E-08 0.100000E-04    0.994265E+00
  16    0.410714E-05    0.461914E+03 -0.889158E-08 0.100000E-04    0.992286E+00
  17    0.331648E-05    0.441332E+03 -0.751470E-08 0.100000E-04    0.989575E+00
  18    0.459059E-05    0.430321E+03 -0.106678E-07 0.100000E-04    0.998148E+00
  19   -0.127688E-04    0.421425E+03  0.302991E-07 0.100000E-04    0.995855E+00
  20    0.872060E-05    0.407256E+03 -0.214131E-07 0.100000E-04    0.998756E+00
  21    0.716728E-05    0.397788E+03 -0.180179E-07 0.100000E-04    0.997622E+00
  22   -0.400317E-05    0.388827E+03  0.102955E-07 0.100000E-04    0.989944E+00
  23   -0.531476E-06    0.367412E+03  0.144654E-08 0.100000E-04    0.996394E+00
  24    0.344752E-06    0.362484E+03 -0.951082E-09 0.100000E-04    0.958014E+00
  25   -0.156861E-04    0.351446E+03  0.446332E-07 0.100000E-04    0.996536E+00
  26   -0.261571E-04    0.338190E+03  0.773443E-07 0.100000E-04    0.996200E+00
  27   -0.129783E-04    0.325093E+03  0.399219E-07 0.100000E-04    0.996370E+00
  28    0.489124E-05    0.321582E+03 -0.152099E-07 0.100000E-04    0.975523E+00
  29    0.210627E-05    0.319499E+03 -0.659244E-08 0.100000E-04    0.969290E+00
  30   -0.217226E-04    0.314849E+03  0.689938E-07 0.100000E-04    0.998278E+00
  31   -0.831000E-05    0.304722E+03  0.272708E-07 0.100000E-04    0.994525E+00
  32   -0.371011E-05    0.287955E+03  0.128843E-07 0.100000E-04    0.992178E+00
  33    0.881161E-05    0.279220E+03 -0.315579E-07 0.100000E-04    0.994274E+00
  34    0.587436E-05    0.270780E+03 -0.216942E-07 0.100000E-04    0.990203E+00
  35    0.218302E-04    0.266211E+03 -0.820033E-07 0.100000E-04    0.999080E+00
  36    0.104847E-04    0.263520E+03 -0.397872E-07 0.100000E-04    0.992249E+00
  37   -0.129368E-04    0.258632E+03  0.500202E-07 0.100000E-04    0.995037E+00
  38   -0.337500E-05    0.253728E+03  0.133017E-07 0.100000E-04    0.995016E+00
  39   -0.161413E-04    0.242651E+03  0.665208E-07 0.100000E-04    0.997086E+00
  40    0.706572E-05    0.237776E+03 -0.297159E-07 0.100000E-04    0.976656E+00
  41   -0.250435E-04    0.235685E+03  0.106259E-06 0.100000E-04    0.991855E+00
  42   -0.735874E-05    0.228698E+03  0.321767E-07 0.100000E-04    0.996033E+00
  43    0.793311E-05    0.221838E+03 -0.357609E-07 0.100000E-04    0.994499E+00
  44   -0.149286E-04    0.213145E+03  0.700396E-07 0.100000E-04    0.995152E+00
  45    0.218669E-05    0.211866E+03 -0.103211E-07 0.100000E-04    0.996529E+00
  46    0.156329E-04    0.208053E+03 -0.751391E-07 0.100000E-04    0.995071E+00
  47   -0.263001E-04    0.203354E+03  0.129331E-06 0.100000E-04    0.998118E+00
  48    0.224972E-05    0.197948E+03 -0.113652E-07 0.100000E-04    0.988384E+00
  49   -0.177113E-04    0.195482E+03  0.906036E-07 0.100000E-04    0.996738E+00
  50   -0.877892E-05    0.191596E+03  0.458200E-07 0.100000E-04    0.991367E+00
  51   -0.116626E-04    0.185114E+03  0.630021E-07 0.100000E-04    0.997061E+00
  52   -0.102208E-05    0.176079E+03  0.580467E-08 0.100000E-04    0.986729E+00
  53   -0.970533E-05    0.171355E+03  0.566389E-07 0.100000E-04    0.995963E+00
  54    0.103198E-04    0.167660E+03 -0.615522E-07 0.100000E-04    0.993817E+00
  55    0.180150E-04    0.165467E+03 -0.108874E-06 0.100000E-04    0.998395E+00
  56   -0.587231E-05    0.159764E+03  0.367562E-07 0.100000E-04    0.997505E+00
  57    0.561541E-05    0.153606E+03 -0.365571E-07 0.100000E-04    0.990426E+00
  58   -0.184291E-04    0.150997E+03  0.122050E-06 0.100000E-04    0.995214E+00
  59    0.410155E-05    0.149113E+03 -0.275063E-07 0.100000E-04    0.981262E+00
  60    0.172517E-04    0.143064E+03 -0.120587E-06 0.100000E-04    0.997237E+00
  61   -0.169007E-04    0.136981E+03  0.123380E-06 0.100000E-04    0.991211E+00
  62   -0.304168E-04    0.135475E+03  0.224519E-06 0.100000E-04    0.998091E+00
  63   -0.211721E-04    0.130807E+03  0.161857E-06 0.100000E-04    0.995514E+00
  64    0.139139E-04    0.127750E+03 -0.108915E-06 0.100000E-04    0.990839E+00
  65    0.184050E-05    0.126061E+03 -0.146000E-07 0.100000E-04    0.933765E+00
  66    0.246936E-04    0.125444E+03 -0.196849E-06 0.100000E-04    0.996805E+00
  67    0.341863E-05    0.119587E+03 -0.285869E-07 0.100000E-04    0.998901E+00
  68   -0.783317E-05    0.117994E+03  0.663859E-07 0.100000E-04    0.996036E+00
  69   -0.331904E-05    0.116859E+03  0.284022E-07 0.100000E-04    0.985210E+00
  70   -0.187740E-04    0.111554E+03  0.168295E-06 0.100000E-04    0.997831E+00
  71   -0.341576E-05    0.108686E+03  0.314277E-07 0.100000E-04    0.993313E+00
  72    0.401116E-04    0.105020E+03 -0.381944E-06 0.100000E-04    0.993757E+00
  73    0.201923E-04    0.102993E+03 -0.196056E-06 0.100000E-04    0.995029E+00
  74   -0.296502E-04    0.999407E+02  0.296678E-06 0.100000E-04    0.997936E+00
  75   -0.433906E-04    0.965402E+02  0.449456E-06 0.100000E-04    0.992837E+00
  76    0.282260E-04    0.951167E+02 -0.296751E-06 0.100000E-04    0.998901E+00
  77   -0.597432E-04    0.919028E+02  0.650070E-06 0.100000E-04    0.998248E+00
  78    0.738548E-06    0.904733E+02 -0.816316E-08 0.100000E-04    0.948538E+00
  79    0.213786E-04    0.896761E+02 -0.238398E-06 0.100000E-04    0.994229E+00
  80   -0.177397E-04    0.847592E+02  0.209295E-06 0.100000E-04    0.996886E+00
  81   -0.174354E-04    0.809116E+02  0.215487E-06 0.100000E-04    0.996476E+00
  82    0.876874E-05    0.795942E+02 -0.110168E-06 0.100000E-04    0.992313E+00
  83    0.133457E-04    0.784084E+02 -0.170207E-06 0.100000E-04    0.999790E+00
  84    0.281362E-04    0.727312E+02 -0.386852E-06 0.100000E-04    0.993090E+00
  85   -0.387452E-04    0.718493E+02  0.539256E-06 0.100000E-04    0.994749E+00
  86    0.187692E-04    0.683153E+02 -0.274743E-06 0.100000E-04    0.982474E+00
  87   -0.347337E-04    0.675530E+02  0.514170E-06 0.100000E-04    0.992680E+00
  88    0.333726E-06    0.633647E+02 -0.526675E-08 0.100000E-04    0.992245E+00
  89    0.457348E-04    0.609429E+02 -0.750454E-06 0.100000E-04    0.995874E+00
  90    0.223490E-04    0.596665E+02 -0.374565E-06 0.100000E-04    0.991530E+00
  91    0.572759E-06    0.589677E+02 -0.971310E-08 0.100000E-04    0.973918E+00
  92    0.542558E-04    0.559606E+02 -0.969537E-06 0.100000E-04    0.998087E+00
  93   -0.378669E-04    0.531068E+02  0.713033E-06 0.100000E-04    0.999520E+00
  94    0.361317E-04    0.522314E+02 -0.691762E-06 0.100000E-04    0.994496E+00
  95   -0.317547E-04    0.501892E+02  0.632701E-06 0.100000E-04    0.999854E+00
  96   -0.108677E-04    0.478193E+02  0.227265E-06 0.100000E-04    0.994463E+00
  97   -0.349410E-04    0.430455E+02  0.811722E-06 0.100000E-04    0.993326E+00
  98   -0.296095E-04    0.401880E+02  0.736774E-06 0.100000E-04    0.993801E+00
  99   -0.976289E-04    0.370956E+02  0.263181E-05 0.100000E-04    0.993316E+00
 100    0.116081E-03    0.358015E+02 -0.324236E-05 0.100000E-04    0.999373E+00
 101   -0.951161E-06    0.355344E+02  0.267674E-07 0.100000E-04    0.266461E+00
 102    0.838595E-04    0.288632E+02 -0.290541E-05 0.100000E-04    0.994942E+00
 103   -0.199840E-04    0.287316E+02  0.695541E-06 0.100000E-04    0.983328E+00
 104    0.572205E-04    0.281740E+02 -0.203097E-05 0.100000E-04    0.991430E+00
 105    0.445108E-04    0.229244E+02 -0.194164E-05 0.100000E-04    0.995512E+00
 106   -0.526799E-05    0.218073E+02  0.241570E-06 0.100000E-04    0.880608E+00
 107   -0.123957E-03    0.200067E+02  0.619575E-05 0.100000E-04    0.999525E+00
 108    0.354806E-04    0.168225E+02 -0.210911E-05 0.100000E-04    0.980493E+00
 109   -0.783492E-04    0.137701E+02  0.568980E-05 0.100000E-04    0.998805E+00
 110   -0.165148E-02    0.122944E+02  0.100000E-04 0.100000E-04    0.666740E+00
 111   -0.439289E-02    0.990899E+01  0.100000E-04 0.100000E-04    0.532874E+00
 112   -0.489840E-03    0.955468E+01  0.100000E-04 0.100000E-04    0.382591E+00
 113   -0.145238E-01    0.749921E+01  0.129726E-04 0.129726E-04    0.678108E-01
 114   -0.510107E+00    0.457392E+01 -0.400000E-03 0.400000E-03    0.341367E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1101714529    

 Beginning of optimization cycle  249.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3753444951
 potential> RMS force:                                               0.0479681129   |gradient|=.5121592954    
 Eigenvalues of the Hessian matrix:
   728.46164    672.77170    625.93962    604.50712    589.00219    568.08465 
   566.16342    481.00071    466.90540    461.90536    441.33231    430.31251 
   421.43056    407.26544    397.78334    388.82822    367.41695    362.47453 
   351.43800    338.15976    325.10149    321.58007    319.51115    314.82019 
   304.71430    287.96149    279.21457    270.77738    266.21804    263.53024 
   258.64152    253.73050    242.64502    237.77185    235.68635    228.69725 
   221.81776    213.15173    211.87114    208.04153    203.35748    197.94360 
   195.48022    191.59528    185.10357    176.06561    171.36072    167.65649 
   165.46333    159.75570    153.60957    150.99917    149.11115    143.06721 
   136.98159    135.48048    130.80545    127.75278    126.06113    125.44850 
   119.58921    117.99517    116.86098    111.54720    108.67544    105.01610 
   102.99420     99.93794     96.53195     95.11608     91.91451     90.46925 
    89.68240     84.76190     80.91176     79.59715     78.40675     72.73076 
    71.85330     68.31419     67.54302     63.36383     60.93275     59.66706 
    58.96958     55.96183     53.10250     52.23166     50.18775     47.81694 
    43.04256     40.19024     37.09867     35.80732     35.52448     28.86243 
    28.73102     28.16570     22.92367     21.80373     20.01140     16.82272 
    13.77016     12.29345      9.90361      9.55045      7.49664      4.57047 
overlap for current and previous eigenvector    109 is        -0.9999993604
overlap for current and previous eigenvector    110 is         0.9999992614
overlap for current and previous eigenvector    111 is        -0.9998236561
overlap for current and previous eigenvector    112 is        -0.9998224181
overlap for current and previous eigenvector    113 is         0.9999965641
overlap for current and previous eigenvector    114 is         0.9999996515
J1,K1,R1,R2,RAT=   7   7   -0.1061665870E-01     2.010449419        0.9893833413    
FOB,PFOB,DIAG,PSTEP=   -0.2092655681E-05   -0.2070670243E-05     728.4616419        0.2842762457E-08
J1,K1,R1,R2,RAT=   8   8   -0.1014009586E-01     2.010104500        0.9898599041    
FOB,PFOB,DIAG,PSTEP=   -0.3169576079E-05   -0.3137758343E-05     672.7717034        0.4664010352E-08
J1,K1,R1,R2,RAT=   9   9    0.1014817281E-01     1.989807680        0.9898076795    
FOB,PFOB,DIAG,PSTEP=    0.4891623519E-06    0.4941774608E-06     625.9396152       -0.7895144474E-09
J1,K1,R1,R2,RAT=  10  10    0.5400202366E-02     1.994602448        0.9945997976    
FOB,PFOB,DIAG,PSTEP=    0.1704553580E-05    0.1713808480E-05     604.5071177       -0.2835047197E-08
J1,K1,R1,R2,RAT=  11  11    0.7878356304E-03     1.999239133        0.9992121644    
FOB,PFOB,DIAG,PSTEP=   -0.1122816013E-05   -0.1123701293E-05     589.0021876        0.1907779232E-08
J1,K1,R1,R2,RAT= 109 109     2.000766122       -0.7711245872E-03    0.9992288754    
FOB,PFOB,DIAG,PSTEP=    0.7840963018E-04   -0.7834921302E-04     13.77015939        0.5689796811E-05
J1,K1,R1,R2,RAT= 110 110   -0.3326548831         27.20034088        0.6673451169    
FOB,PFOB,DIAG,PSTEP=   -0.1692377992E-02   -0.1651483219E-02     12.29345333        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     89.16603070       -0.4530881902        0.5469118098    
FOB,PFOB,DIAG,PSTEP=    0.4437763243E-02   -0.4392891163E-02     9.903608288        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     10.93117121       -0.6732303441        0.3267696559    
FOB,PFOB,DIAG,PSTEP=    0.5541362914E-03   -0.4898397631E-03     9.550450127        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7828210721         299.4695398        0.2171789279    
FOB,PFOB,DIAG,PSTEP=   -0.1459989209E-01   -0.1452376211E-01     7.496635372        0.1297259390E-04
J1,K1,R1,R2,RAT= 114 114    0.9965507634        -559.0425465        0.3449236595E-02
FOB,PFOB,DIAG,PSTEP=   -0.5119287330       -0.5101068496         4.570473165       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00000      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002      0.00003      0.00002     -0.00001     -0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000      0.00004 
     0.00002     -0.00003     -0.00004      0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004      0.00002     -0.00003      0.00000      0.00005      0.00002 
     0.00000      0.00005     -0.00004      0.00004     -0.00003     -0.00001 
     0.00003      0.00003      0.00010      0.00012     -0.00000      0.00008 
    -0.00002      0.00006      0.00004     -0.00000     -0.00012      0.00004 
     0.00008     -0.00169      0.00444      0.00055     -0.01460     -0.51193 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4353508052
 Log product of positive Hessian eigenvalues =          520.0904844407
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5704731649
 Unscaled step for mode    7=        0.0000000029
 Unscaled step for mode    8=        0.0000000047
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000018
 Unscaled step for mode   13=        0.0000000050
 Unscaled step for mode   14=        0.0000000090
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000089
 Unscaled step for mode   17=       -0.0000000075
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000304
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000104
 Unscaled step for mode   23=        0.0000000014
 Unscaled step for mode   24=       -0.0000000009
 Unscaled step for mode   25=        0.0000000448
 Unscaled step for mode   26=        0.0000000776
 Unscaled step for mode   27=        0.0000000401
 Unscaled step for mode   28=       -0.0000000155
 Unscaled step for mode   29=       -0.0000000067
 Unscaled step for mode   30=        0.0000000693
 Unscaled step for mode   31=        0.0000000275
 Unscaled step for mode   32=        0.0000000130
 Unscaled step for mode   33=       -0.0000000316
 Unscaled step for mode   34=       -0.0000000218
 Unscaled step for mode   35=       -0.0000000822
 Unscaled step for mode   36=       -0.0000000401
 Unscaled step for mode   37=        0.0000000503
 Unscaled step for mode   38=        0.0000000133
 Unscaled step for mode   39=        0.0000000666
 Unscaled step for mode   40=       -0.0000000291
 Unscaled step for mode   41=        0.0000001072
 Unscaled step for mode   42=        0.0000000324
 Unscaled step for mode   43=       -0.0000000361
 Unscaled step for mode   44=        0.0000000707
 Unscaled step for mode   45=       -0.0000000101
 Unscaled step for mode   46=       -0.0000000756
 Unscaled step for mode   47=        0.0000001298
 Unscaled step for mode   48=       -0.0000000115
 Unscaled step for mode   49=        0.0000000912
 Unscaled step for mode   50=        0.0000000456
 Unscaled step for mode   51=        0.0000000634
 Unscaled step for mode   52=        0.0000000060
 Unscaled step for mode   53=       -0.0000000568
 Unscaled step for mode   54=        0.0000000621
 Unscaled step for mode   55=       -0.0000001091
 Unscaled step for mode   56=        0.0000000367
 Unscaled step for mode   57=       -0.0000000368
 Unscaled step for mode   58=        0.0000001226
 Unscaled step for mode   59=       -0.0000000272
 Unscaled step for mode   60=       -0.0000001211
 Unscaled step for mode   61=       -0.0000001239
 Unscaled step for mode   62=       -0.0000002246
 Unscaled step for mode   63=       -0.0000001619
 Unscaled step for mode   64=        0.0000001100
 Unscaled step for mode   65=        0.0000000152
 Unscaled step for mode   66=       -0.0000001970
 Unscaled step for mode   67=        0.0000000291
 Unscaled step for mode   68=       -0.0000000665
 Unscaled step for mode   69=        0.0000000285
 Unscaled step for mode   70=        0.0000001694
 Unscaled step for mode   71=        0.0000000317
 Unscaled step for mode   72=       -0.0000003835
 Unscaled step for mode   73=       -0.0000001970
 Unscaled step for mode   74=        0.0000002965
 Unscaled step for mode   75=        0.0000004529
 Unscaled step for mode   76=       -0.0000002966
 Unscaled step for mode   77=        0.0000006512
 Unscaled step for mode   78=       -0.0000000076
 Unscaled step for mode   79=       -0.0000002359
 Unscaled step for mode   80=        0.0000002101
 Unscaled step for mode   81=        0.0000002161
 Unscaled step for mode   82=       -0.0000001083
 Unscaled step for mode   83=       -0.0000001712
 Unscaled step for mode   84=       -0.0000003880
 Unscaled step for mode   85=        0.0000005397
 Unscaled step for mode   86=       -0.0000002693
 Unscaled step for mode   87=        0.0000005175
 Unscaled step for mode   88=       -0.0000000063
 Unscaled step for mode   89=       -0.0000007524
 Unscaled step for mode   90=       -0.0000003746
 Unscaled step for mode   91=       -0.0000000094
 Unscaled step for mode   92=       -0.0000009724
 Unscaled step for mode   93=        0.0000007108
 Unscaled step for mode   94=       -0.0000006935
 Unscaled step for mode   95=        0.0000006301
 Unscaled step for mode   96=        0.0000002281
 Unscaled step for mode   97=       -0.0000008117
 Unscaled step for mode   98=       -0.0000007399
 Unscaled step for mode   99=       -0.0000026380
 Unscaled step for mode  100=       -0.0000032372
 Unscaled step for mode  101=        0.0000000323
 Unscaled step for mode  102=       -0.0000029117
 Unscaled step for mode  103=        0.0000006784
 Unscaled step for mode  104=       -0.0000020373
 Unscaled step for mode  105=       -0.0000019472
 Unscaled step for mode  106=        0.0000002284
 Unscaled step for mode  107=        0.0000061877
 Unscaled step for mode  108=       -0.0000020972
 Unscaled step for mode  109=       -0.0000056942
 Unscaled step for mode  110=        0.0001376650
 Unscaled step for mode  111=       -0.0004480955
 Unscaled step for mode  112=       -0.0000580220
 Unscaled step for mode  113=        0.0019475186
 Unscaled step for mode  114=       -0.1106367879
 Largest modulus ratio of non-zero e/values=           159.3842947    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.523886E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.164582E-15    0.100732E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.940654E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.319609E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.268611E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.512801E-15    0.973762E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.209266E-05    0.728462E+03  0.287271E-08 0.100000E-04    0.989383E+00
   8   -0.316958E-05    0.672772E+03  0.471122E-08 0.100000E-04    0.989860E+00
   9    0.489162E-06    0.625940E+03 -0.781485E-09 0.100000E-04    0.989808E+00
  10    0.170455E-05    0.604507E+03 -0.281974E-08 0.100000E-04    0.994600E+00
  11   -0.112282E-05    0.589002E+03  0.190630E-08 0.100000E-04    0.999212E+00
  12    0.101606E-05    0.568085E+03 -0.178857E-08 0.100000E-04    0.950293E+00
  13   -0.282388E-05    0.566163E+03  0.498774E-08 0.100000E-04    0.989648E+00
  14   -0.434368E-05    0.481001E+03  0.903051E-08 0.100000E-04    0.991811E+00
  15    0.178981E-05    0.466905E+03 -0.383334E-08 0.100000E-04    0.996592E+00
  16    0.412515E-05    0.461905E+03 -0.893073E-08 0.100000E-04    0.995616E+00
  17    0.332035E-05    0.441332E+03 -0.752347E-08 0.100000E-04    0.998832E+00
  18    0.459742E-05    0.430313E+03 -0.106839E-07 0.100000E-04    0.998512E+00
  19   -0.128031E-04    0.421431E+03  0.303800E-07 0.100000E-04    0.997317E+00
  20    0.870135E-05    0.407265E+03 -0.213653E-07 0.100000E-04    0.997746E+00
  21    0.716564E-05    0.397783E+03 -0.180139E-07 0.100000E-04    0.999771E+00
  22   -0.404048E-05    0.388828E+03  0.103914E-07 0.100000E-04    0.990680E+00
  23   -0.506930E-06    0.367417E+03  0.137971E-08 0.100000E-04    0.953790E+00
  24    0.324530E-06    0.362475E+03 -0.895318E-09 0.100000E-04    0.941342E+00
  25   -0.157368E-04    0.351438E+03  0.447783E-07 0.100000E-04    0.996769E+00
  26   -0.262423E-04    0.338160E+03  0.776032E-07 0.100000E-04    0.996742E+00
  27   -0.130328E-04    0.325101E+03  0.400884E-07 0.100000E-04    0.995803E+00
  28    0.499753E-05    0.321580E+03 -0.155405E-07 0.100000E-04    0.978269E+00
  29    0.214715E-05    0.319511E+03 -0.672010E-08 0.100000E-04    0.980596E+00
  30   -0.218017E-04    0.314820E+03  0.692511E-07 0.100000E-04    0.996361E+00
  31   -0.838864E-05    0.304714E+03  0.275295E-07 0.100000E-04    0.990536E+00
  32   -0.373636E-05    0.287961E+03  0.129752E-07 0.100000E-04    0.992925E+00
  33    0.883295E-05    0.279215E+03 -0.316350E-07 0.100000E-04    0.997578E+00
  34    0.590902E-05    0.270777E+03 -0.218224E-07 0.100000E-04    0.994099E+00
  35    0.218910E-04    0.266218E+03 -0.822296E-07 0.100000E-04    0.997214E+00
  36    0.105777E-04    0.263530E+03 -0.401385E-07 0.100000E-04    0.991133E+00
  37   -0.129972E-04    0.258642E+03  0.502516E-07 0.100000E-04    0.995337E+00
  38   -0.336554E-05    0.253730E+03  0.132642E-07 0.100000E-04    0.997177E+00
  39   -0.161719E-04    0.242645E+03  0.666484E-07 0.100000E-04    0.998105E+00
  40    0.690805E-05    0.237772E+03 -0.290533E-07 0.100000E-04    0.977685E+00
  41   -0.252717E-04    0.235686E+03  0.107226E-06 0.100000E-04    0.990888E+00
  42   -0.741545E-05    0.228697E+03  0.324248E-07 0.100000E-04    0.992293E+00
  43    0.801003E-05    0.221818E+03 -0.361108E-07 0.100000E-04    0.990304E+00
  44   -0.150725E-04    0.213152E+03  0.707126E-07 0.100000E-04    0.990359E+00
  45    0.213018E-05    0.211871E+03 -0.100541E-07 0.100000E-04    0.974114E+00
  46    0.157366E-04    0.208042E+03 -0.756414E-07 0.100000E-04    0.993368E+00
  47   -0.263961E-04    0.203357E+03  0.129801E-06 0.100000E-04    0.996351E+00
  48    0.227510E-05    0.197944E+03 -0.114937E-07 0.100000E-04    0.988715E+00
  49   -0.178195E-04    0.195480E+03  0.911574E-07 0.100000E-04    0.993895E+00
  50   -0.874496E-05    0.191595E+03  0.456429E-07 0.100000E-04    0.996132E+00
  51   -0.117336E-04    0.185104E+03  0.633892E-07 0.100000E-04    0.993911E+00
  52   -0.105224E-05    0.176066E+03  0.597641E-08 0.100000E-04    0.970488E+00
  53    0.973723E-05    0.171361E+03 -0.568230E-07 0.100000E-04    0.996713E+00
  54   -0.104127E-04    0.167656E+03  0.621075E-07 0.100000E-04    0.990996E+00
  55    0.180570E-04    0.165463E+03 -0.109130E-06 0.100000E-04    0.997667E+00
  56   -0.586981E-05    0.159756E+03  0.367424E-07 0.100000E-04    0.999575E+00
  57    0.565459E-05    0.153610E+03 -0.368115E-07 0.100000E-04    0.993022E+00
  58   -0.185089E-04    0.150999E+03  0.122576E-06 0.100000E-04    0.995672E+00
  59    0.405561E-05    0.149111E+03 -0.271986E-07 0.100000E-04    0.988800E+00
  60    0.173304E-04    0.143067E+03 -0.121134E-06 0.100000E-04    0.995444E+00
  61    0.169757E-04    0.136982E+03 -0.123927E-06 0.100000E-04    0.995557E+00
  62    0.304282E-04    0.135480E+03 -0.224595E-06 0.100000E-04    0.999624E+00
  63    0.211738E-04    0.130805E+03 -0.161873E-06 0.100000E-04    0.999918E+00
  64   -0.140488E-04    0.127753E+03  0.109969E-06 0.100000E-04    0.990302E+00
  65   -0.191525E-05    0.126061E+03  0.151930E-07 0.100000E-04    0.959384E+00
  66    0.247115E-04    0.125449E+03 -0.196985E-06 0.100000E-04    0.999275E+00
  67   -0.348329E-05    0.119589E+03  0.291272E-07 0.100000E-04    0.981085E+00
  68    0.784547E-05    0.117995E+03 -0.664897E-07 0.100000E-04    0.998430E+00
  69   -0.333143E-05    0.116861E+03  0.285076E-07 0.100000E-04    0.996269E+00
  70   -0.189008E-04    0.111547E+03  0.169442E-06 0.100000E-04    0.993242E+00
  71   -0.344650E-05    0.108675E+03  0.317137E-07 0.100000E-04    0.990999E+00
  72    0.402735E-04    0.105016E+03 -0.383498E-06 0.100000E-04    0.995964E+00
  73    0.202940E-04    0.102994E+03 -0.197040E-06 0.100000E-04    0.994966E+00
  74   -0.296276E-04    0.999379E+02  0.296460E-06 0.100000E-04    0.999235E+00
  75   -0.437149E-04    0.965319E+02  0.452854E-06 0.100000E-04    0.992524E+00
  76    0.282117E-04    0.951161E+02 -0.296603E-06 0.100000E-04    0.999495E+00
  77   -0.598572E-04    0.919145E+02  0.651227E-06 0.100000E-04    0.998093E+00
  78    0.691352E-06    0.904692E+02 -0.764184E-08 0.100000E-04    0.936093E+00
  79    0.211555E-04    0.896824E+02 -0.235893E-06 0.100000E-04    0.989422E+00
  80   -0.178119E-04    0.847619E+02  0.210140E-06 0.100000E-04    0.995931E+00
  81   -0.174871E-04    0.809118E+02  0.216126E-06 0.100000E-04    0.997034E+00
  82    0.862102E-05    0.795971E+02 -0.108308E-06 0.100000E-04    0.983081E+00
  83    0.134197E-04    0.784067E+02 -0.171155E-06 0.100000E-04    0.994452E+00
  84    0.282229E-04    0.727308E+02 -0.388047E-06 0.100000E-04    0.996918E+00
  85   -0.387760E-04    0.718533E+02  0.539655E-06 0.100000E-04    0.999203E+00
  86    0.183968E-04    0.683142E+02 -0.269297E-06 0.100000E-04    0.980161E+00
  87   -0.349558E-04    0.675430E+02  0.517534E-06 0.100000E-04    0.993604E+00
  88    0.400466E-06    0.633638E+02 -0.632010E-08 0.100000E-04    0.800012E+00
  89    0.458455E-04    0.609328E+02 -0.752395E-06 0.100000E-04    0.997579E+00
  90    0.223487E-04    0.596671E+02 -0.374557E-06 0.100000E-04    0.999970E+00
  91    0.556079E-06    0.589696E+02 -0.942993E-08 0.100000E-04    0.970814E+00
  92    0.544151E-04    0.559618E+02 -0.972360E-06 0.100000E-04    0.997065E+00
  93   -0.377454E-04    0.531025E+02  0.710803E-06 0.100000E-04    0.996791E+00
  94    0.362223E-04    0.522317E+02 -0.693493E-06 0.100000E-04    0.997492E+00
  95   -0.316225E-04    0.501878E+02  0.630084E-06 0.100000E-04    0.995836E+00
  96   -0.109052E-04    0.478169E+02  0.228061E-06 0.100000E-04    0.996549E+00
  97    0.349359E-04    0.430426E+02 -0.811659E-06 0.100000E-04    0.999854E+00
  98    0.297349E-04    0.401902E+02 -0.739853E-06 0.100000E-04    0.995765E+00
  99    0.978649E-04    0.370987E+02 -0.263796E-05 0.100000E-04    0.997582E+00
 100    0.115914E-03    0.358073E+02 -0.323717E-05 0.100000E-04    0.998239E+00
 101   -0.114768E-05    0.355245E+02  0.323067E-07 0.100000E-04    0.793335E+00
 102    0.840376E-04    0.288624E+02 -0.291166E-05 0.100000E-04    0.997877E+00
 103   -0.194902E-04    0.287310E+02  0.678367E-06 0.100000E-04    0.975288E+00
 104    0.573813E-04    0.281657E+02 -0.203728E-05 0.100000E-04    0.997189E+00
 105    0.446366E-04    0.229237E+02 -0.194718E-05 0.100000E-04    0.997175E+00
 106   -0.497891E-05    0.218037E+02  0.228351E-06 0.100000E-04    0.945117E+00
 107   -0.123824E-03    0.200114E+02  0.618766E-05 0.100000E-04    0.998460E+00
 108    0.352812E-04    0.168227E+02 -0.209724E-05 0.100000E-04    0.994361E+00
 109    0.784096E-04    0.137702E+02 -0.569417E-05 0.100000E-04    0.999229E+00
 110   -0.169238E-02    0.122935E+02  0.100000E-04 0.100000E-04    0.667345E+00
 111    0.443776E-02    0.990361E+01 -0.100000E-04 0.100000E-04    0.546912E+00
 112    0.554136E-03    0.955045E+01 -0.100000E-04 0.100000E-04    0.326770E+00
 113   -0.145999E-01    0.749664E+01  0.116870E-04 0.116870E-04    0.217179E+00
 114   -0.511929E+00    0.457047E+01 -0.400000E-03 0.400000E-03    0.344924E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1106367879    

 Beginning of optimization cycle  250.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3751395948
 potential> RMS force:                                               0.0481388225   |gradient|=.5139819747    
 Eigenvalues of the Hessian matrix:
   728.52261    672.78373    625.95341    604.50612    588.99429    568.12478 
   566.17745    481.02346    466.88230    461.89698    441.33262    430.30414 
   421.43625    407.27499    397.77889    388.82926    367.42185    362.46513 
   351.43026    338.12982    325.10979    321.57843    319.52373    314.79174 
   304.70699    287.96791    279.20897    270.77467    266.22503    263.53997 
   258.65093    253.73318    242.63937    237.76829    235.68746    228.69637 
   221.79765    213.15871    211.87585    208.03049    203.36050    197.93919 
   195.47864    191.59489    185.09327    176.05241    171.36685    167.65347 
   165.45968    159.74765    153.61282    151.00135    149.10887    143.06996 
   136.98244    135.48552    130.80377    127.75529    126.06114    125.45258 
   119.59102    117.99594    116.86340    111.54025    108.66472    105.01272 
   102.99578     99.93521     96.52373     95.11540     91.92625     90.46527 
    89.68858     84.76458     80.91195     79.60004     78.40511     72.73040 
    71.85736     68.31317     67.53297     63.36296     60.92267     59.66759 
    58.97149     55.96310     53.09820     52.23199     50.18632     47.81458 
    43.03961     40.19251     37.10175     35.81313     35.51461     28.86164 
    28.73042     28.15741     22.92297     21.80015     20.01610     16.82290 
    13.77020     12.29251      9.89848      9.54598      7.49403      4.56701 
overlap for current and previous eigenvector    109 is        -0.9999993668
overlap for current and previous eigenvector    110 is         0.9999992671
overlap for current and previous eigenvector    111 is         0.9998227721
overlap for current and previous eigenvector    112 is         0.9998213914
overlap for current and previous eigenvector    113 is         0.9999965226
overlap for current and previous eigenvector    114 is         0.9999996540
J1,K1,R1,R2,RAT=   7   7   -0.1194798210E-01     2.011780614        0.9880520179    
FOB,PFOB,DIAG,PSTEP=   -0.2117660786E-05   -0.2092655681E-05     728.5226076        0.2872705384E-08
J1,K1,R1,R2,RAT=   8   8   -0.1159341944E-02     2.001123602        0.9988406581    
FOB,PFOB,DIAG,PSTEP=   -0.3173250768E-05   -0.3169576079E-05     672.7837261        0.4711220855E-08
J1,K1,R1,R2,RAT=   9   9    0.1240098652E-01     1.987554924        0.9875549241    
FOB,PFOB,DIAG,PSTEP=    0.4830961224E-06    0.4891623519E-06     625.9534142       -0.7814848908E-09
J1,K1,R1,R2,RAT=  10  10   -0.9954380453E-02     2.009957691        0.9900456195    
FOB,PFOB,DIAG,PSTEP=    0.1721521327E-05    0.1704553580E-05     604.5061169       -0.2819741125E-08
J1,K1,R1,R2,RAT=  11  11   -0.6839967570E-02     2.006866779        0.9931600324    
FOB,PFOB,DIAG,PSTEP=   -0.1130495935E-05   -0.1122816013E-05     588.9942917        0.1906301941E-08
J1,K1,R1,R2,RAT= 109 109     1.998681025        0.1312858948E-02    0.9986810251    
FOB,PFOB,DIAG,PSTEP=   -0.7830668908E-04    0.7840963018E-04     13.77020150       -0.5694170123E-05
J1,K1,R1,R2,RAT= 110 110   -0.3426811087         27.87778436        0.6573188913    
FOB,PFOB,DIAG,PSTEP=   -0.1734502110E-02   -0.1692377992E-02     12.29251241        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4186449656         90.08417404        0.5813550344    
FOB,PFOB,DIAG,PSTEP=    0.4479202740E-02    0.4437763243E-02     9.898482257       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6998275787         12.30965929        0.3001724213    
FOB,PFOB,DIAG,PSTEP=    0.6209417143E-03    0.5541362914E-03     9.545983180       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9655961026         334.3615496        0.3440389738E-01
FOB,PFOB,DIAG,PSTEP=   -0.1468446180E-01   -0.1459989209E-01     7.494030789        0.1168702153E-04
J1,K1,R1,R2,RAT= 114 114    0.9965547515        -561.4603696        0.3445248519E-02
FOB,PFOB,DIAG,PSTEP=   -0.5137492431       -0.5119287330         4.567009675       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
     0.00000     -0.00001      0.00000     -0.00002     -0.00000     -0.00004 
    -0.00002     -0.00003     -0.00004      0.00003     -0.00006      0.00000 
     0.00002     -0.00002      0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004      0.00002     -0.00004      0.00000      0.00005      0.00002 
     0.00000      0.00005     -0.00004      0.00004      0.00003      0.00001 
     0.00004      0.00003      0.00010      0.00012     -0.00000      0.00008 
    -0.00002      0.00006      0.00004     -0.00001     -0.00012      0.00003 
    -0.00008     -0.00173      0.00448      0.00062     -0.01468     -0.51375 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4352622149
 Log product of positive Hessian eigenvalues =          520.0874613187
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5670096753
 Unscaled step for mode    7=        0.0000000029
 Unscaled step for mode    8=        0.0000000047
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000017
 Unscaled step for mode   13=        0.0000000050
 Unscaled step for mode   14=        0.0000000090
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000090
 Unscaled step for mode   17=       -0.0000000076
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000305
 Unscaled step for mode   20=       -0.0000000214
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000105
 Unscaled step for mode   23=        0.0000000014
 Unscaled step for mode   24=       -0.0000000009
 Unscaled step for mode   25=        0.0000000449
 Unscaled step for mode   26=        0.0000000779
 Unscaled step for mode   27=        0.0000000402
 Unscaled step for mode   28=       -0.0000000159
 Unscaled step for mode   29=       -0.0000000069
 Unscaled step for mode   30=        0.0000000694
 Unscaled step for mode   31=        0.0000000277
 Unscaled step for mode   32=        0.0000000131
 Unscaled step for mode   33=       -0.0000000318
 Unscaled step for mode   34=       -0.0000000220
 Unscaled step for mode   35=       -0.0000000823
 Unscaled step for mode   36=       -0.0000000404
 Unscaled step for mode   37=        0.0000000505
 Unscaled step for mode   38=        0.0000000132
 Unscaled step for mode   39=        0.0000000668
 Unscaled step for mode   40=       -0.0000000283
 Unscaled step for mode   41=        0.0000001081
 Unscaled step for mode   42=        0.0000000326
 Unscaled step for mode   43=       -0.0000000363
 Unscaled step for mode   44=        0.0000000711
 Unscaled step for mode   45=       -0.0000000101
 Unscaled step for mode   46=       -0.0000000760
 Unscaled step for mode   47=        0.0000001300
 Unscaled step for mode   48=       -0.0000000116
 Unscaled step for mode   49=        0.0000000915
 Unscaled step for mode   50=        0.0000000460
 Unscaled step for mode   51=        0.0000000636
 Unscaled step for mode   52=        0.0000000061
 Unscaled step for mode   53=       -0.0000000571
 Unscaled step for mode   54=        0.0000000625
 Unscaled step for mode   55=        0.0000001093
 Unscaled step for mode   56=        0.0000000368
 Unscaled step for mode   57=       -0.0000000372
 Unscaled step for mode   58=        0.0000001231
 Unscaled step for mode   59=       -0.0000000267
 Unscaled step for mode   60=       -0.0000001215
 Unscaled step for mode   61=       -0.0000001250
 Unscaled step for mode   62=        0.0000002250
 Unscaled step for mode   63=        0.0000001626
 Unscaled step for mode   64=       -0.0000001110
 Unscaled step for mode   65=       -0.0000000161
 Unscaled step for mode   66=        0.0000001976
 Unscaled step for mode   67=       -0.0000000292
 Unscaled step for mode   68=        0.0000000667
 Unscaled step for mode   69=       -0.0000000289
 Unscaled step for mode   70=        0.0000001698
 Unscaled step for mode   71=        0.0000000319
 Unscaled step for mode   72=        0.0000003859
 Unscaled step for mode   73=        0.0000001980
 Unscaled step for mode   74=        0.0000002971
 Unscaled step for mode   75=        0.0000004561
 Unscaled step for mode   76=       -0.0000002962
 Unscaled step for mode   77=        0.0000006522
 Unscaled step for mode   78=       -0.0000000072
 Unscaled step for mode   79=       -0.0000002345
 Unscaled step for mode   80=        0.0000002108
 Unscaled step for mode   81=       -0.0000002169
 Unscaled step for mode   82=        0.0000001074
 Unscaled step for mode   83=        0.0000001711
 Unscaled step for mode   84=        0.0000003907
 Unscaled step for mode   85=        0.0000005424
 Unscaled step for mode   86=       -0.0000002645
 Unscaled step for mode   87=        0.0000005212
 Unscaled step for mode   88=       -0.0000000063
 Unscaled step for mode   89=       -0.0000007556
 Unscaled step for mode   90=       -0.0000003777
 Unscaled step for mode   91=       -0.0000000091
 Unscaled step for mode   92=       -0.0000009742
 Unscaled step for mode   93=        0.0000007111
 Unscaled step for mode   94=       -0.0000006972
 Unscaled step for mode   95=       -0.0000006300
 Unscaled step for mode   96=       -0.0000002268
 Unscaled step for mode   97=       -0.0000008171
 Unscaled step for mode   98=       -0.0000007444
 Unscaled step for mode   99=       -0.0000026551
 Unscaled step for mode  100=       -0.0000032355
 Unscaled step for mode  101=        0.0000000437
 Unscaled step for mode  102=       -0.0000029262
 Unscaled step for mode  103=        0.0000006661
 Unscaled step for mode  104=       -0.0000020550
 Unscaled step for mode  105=       -0.0000019560
 Unscaled step for mode  106=        0.0000002540
 Unscaled step for mode  107=        0.0000061890
 Unscaled step for mode  108=       -0.0000020552
 Unscaled step for mode  109=        0.0000056867
 Unscaled step for mode  110=        0.0001411023
 Unscaled step for mode  111=       -0.0004525140
 Unscaled step for mode  112=       -0.0000650474
 Unscaled step for mode  113=        0.0019594803
 Unscaled step for mode  114=       -0.1111028099
 Largest modulus ratio of non-zero e/values=           159.5185164    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.110589E-14    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.531476E-15    0.100732E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.133961E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.188217E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.310839E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.398336E-15    0.973763E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.211766E-05    0.728523E+03  0.290679E-08 0.100000E-04    0.988052E+00
   8   -0.317325E-05    0.672784E+03  0.471660E-08 0.100000E-04    0.998841E+00
   9    0.483096E-06    0.625953E+03 -0.771776E-09 0.100000E-04    0.987555E+00
  10    0.172152E-05    0.604506E+03 -0.284781E-08 0.100000E-04    0.990046E+00
  11   -0.113050E-05    0.588994E+03  0.191937E-08 0.100000E-04    0.993160E+00
  12    0.990633E-06    0.568125E+03 -0.174369E-08 0.100000E-04    0.974836E+00
  13   -0.282851E-05    0.566177E+03  0.499579E-08 0.100000E-04    0.998362E+00
  14   -0.432600E-05    0.481023E+03  0.899332E-08 0.100000E-04    0.995835E+00
  15    0.177993E-05    0.466882E+03 -0.381237E-08 0.100000E-04    0.994480E+00
  16    0.415653E-05    0.461897E+03 -0.899883E-08 0.100000E-04    0.992392E+00
  17    0.335452E-05    0.441333E+03 -0.760090E-08 0.100000E-04    0.989708E+00
  18    0.460634E-05    0.430304E+03 -0.107049E-07 0.100000E-04    0.998060E+00
  19   -0.128557E-04    0.421436E+03  0.305045E-07 0.100000E-04    0.995887E+00
  20    0.871188E-05    0.407275E+03 -0.213907E-07 0.100000E-04    0.998789E+00
  21    0.718233E-05    0.397779E+03 -0.180561E-07 0.100000E-04    0.997670E+00
  22   -0.408010E-05    0.388829E+03  0.104933E-07 0.100000E-04    0.990194E+00
  23   -0.509110E-06    0.367422E+03  0.138563E-08 0.100000E-04    0.995701E+00
  24    0.309494E-06    0.362465E+03 -0.853859E-09 0.100000E-04    0.953668E+00
  25   -0.157911E-04    0.351430E+03  0.449337E-07 0.100000E-04    0.996552E+00
  26   -0.263406E-04    0.338130E+03  0.779010E-07 0.100000E-04    0.996252E+00
  27   -0.130798E-04    0.325110E+03  0.402318E-07 0.100000E-04    0.996397E+00
  28    0.511523E-05    0.321578E+03 -0.159066E-07 0.100000E-04    0.976448E+00
  29    0.221029E-05    0.319524E+03 -0.691745E-08 0.100000E-04    0.970593E+00
  30   -0.218380E-04    0.314792E+03  0.693729E-07 0.100000E-04    0.998332E+00
  31   -0.843467E-05    0.304707E+03  0.276812E-07 0.100000E-04    0.994513E+00
  32   -0.376474E-05    0.287968E+03  0.130735E-07 0.100000E-04    0.992403E+00
  33    0.888288E-05    0.279209E+03 -0.318144E-07 0.100000E-04    0.994348E+00
  34    0.596623E-05    0.270775E+03 -0.220339E-07 0.100000E-04    0.990318E+00
  35    0.219100E-04    0.266225E+03 -0.822989E-07 0.100000E-04    0.999131E+00
  36    0.106582E-04    0.263540E+03 -0.404424E-07 0.100000E-04    0.992392E+00
  37   -0.130613E-04    0.258651E+03  0.504978E-07 0.100000E-04    0.995065E+00
  38   -0.334828E-05    0.253733E+03  0.131961E-07 0.100000E-04    0.994849E+00
  39   -0.162184E-04    0.242639E+03  0.668418E-07 0.100000E-04    0.997121E+00
  40    0.673099E-05    0.237768E+03 -0.283090E-07 0.100000E-04    0.974368E+00
  41   -0.254724E-04    0.235687E+03  0.108077E-06 0.100000E-04    0.992062E+00
  42   -0.744441E-05    0.228696E+03  0.325515E-07 0.100000E-04    0.996095E+00
  43    0.805400E-05    0.221798E+03 -0.363124E-07 0.100000E-04    0.994510E+00
  44   -0.151452E-04    0.213159E+03  0.710512E-07 0.100000E-04    0.995179E+00
  45    0.213732E-05    0.211876E+03 -0.100876E-07 0.100000E-04    0.996648E+00
  46    0.158141E-04    0.208030E+03 -0.760182E-07 0.100000E-04    0.995072E+00
  47   -0.264444E-04    0.203361E+03  0.130037E-06 0.100000E-04    0.998168E+00
  48    0.230143E-05    0.197939E+03 -0.116270E-07 0.100000E-04    0.988426E+00
  49   -0.178773E-04    0.195479E+03  0.914539E-07 0.100000E-04    0.996755E+00
  50   -0.881971E-05    0.191595E+03  0.460331E-07 0.100000E-04    0.991453E+00
  51   -0.117682E-04    0.185093E+03  0.635799E-07 0.100000E-04    0.997048E+00
  52   -0.106609E-05    0.176052E+03  0.605554E-08 0.100000E-04    0.986835E+00
  53    0.977680E-05    0.171367E+03 -0.570519E-07 0.100000E-04    0.995936E+00
  54   -0.104771E-04    0.167653E+03  0.624923E-07 0.100000E-04    0.993822E+00
  55   -0.180853E-04    0.165460E+03  0.109303E-06 0.100000E-04    0.998433E+00
  56   -0.588323E-05    0.159748E+03  0.368283E-07 0.100000E-04    0.997714E+00
  57    0.570900E-05    0.153613E+03 -0.371649E-07 0.100000E-04    0.990378E+00
  58   -0.185958E-04    0.151001E+03  0.123150E-06 0.100000E-04    0.995306E+00
  59    0.397709E-05    0.149109E+03 -0.266724E-07 0.100000E-04    0.980638E+00
  60    0.173789E-04    0.143070E+03 -0.121471E-06 0.100000E-04    0.997201E+00
  61    0.171242E-04    0.136982E+03 -0.125010E-06 0.100000E-04    0.991255E+00
  62   -0.304840E-04    0.135486E+03  0.224998E-06 0.100000E-04    0.998167E+00
  63   -0.212673E-04    0.130804E+03  0.162590E-06 0.100000E-04    0.995584E+00
  64    0.141767E-04    0.127755E+03 -0.110968E-06 0.100000E-04    0.990898E+00
  65    0.203563E-05    0.126061E+03 -0.161480E-07 0.100000E-04    0.937144E+00
  66   -0.247876E-04    0.125453E+03  0.197586E-06 0.100000E-04    0.996919E+00
  67    0.348737E-05    0.119591E+03 -0.291608E-07 0.100000E-04    0.998831E+00
  68   -0.787609E-05    0.117996E+03  0.667488E-07 0.100000E-04    0.996097E+00
  69    0.337980E-05    0.116863E+03 -0.289209E-07 0.100000E-04    0.985481E+00
  70   -0.189413E-04    0.111540E+03  0.169815E-06 0.100000E-04    0.997861E+00
  71   -0.346880E-05    0.108665E+03  0.319220E-07 0.100000E-04    0.993530E+00
  72   -0.405219E-04    0.105013E+03  0.385876E-06 0.100000E-04    0.993831E+00
  73   -0.203940E-04    0.102996E+03  0.198008E-06 0.100000E-04    0.995069E+00
  74   -0.296865E-04    0.999352E+02  0.297058E-06 0.100000E-04    0.998010E+00
  75   -0.440279E-04    0.965237E+02  0.456135E-06 0.100000E-04    0.992840E+00
  76    0.281734E-04    0.951154E+02 -0.296202E-06 0.100000E-04    0.998642E+00
  77   -0.599585E-04    0.919263E+02  0.652246E-06 0.100000E-04    0.998308E+00
  78    0.649539E-06    0.904653E+02 -0.717998E-08 0.100000E-04    0.939517E+00
  79    0.210324E-04    0.896886E+02 -0.234504E-06 0.100000E-04    0.994043E+00
  80   -0.178672E-04    0.847646E+02  0.210786E-06 0.100000E-04    0.996896E+00
  81    0.175476E-04    0.809120E+02 -0.216873E-06 0.100000E-04    0.996542E+00
  82   -0.855203E-05    0.796000E+02  0.107438E-06 0.100000E-04    0.991925E+00
  83   -0.134179E-04    0.784051E+02  0.171135E-06 0.100000E-04    0.999862E+00
  84   -0.284155E-04    0.727304E+02  0.390696E-06 0.100000E-04    0.993178E+00
  85   -0.389771E-04    0.718574E+02  0.542423E-06 0.100000E-04    0.994814E+00
  86    0.180665E-04    0.683132E+02 -0.264466E-06 0.100000E-04    0.982044E+00
  87   -0.351962E-04    0.675330E+02  0.521171E-06 0.100000E-04    0.993121E+00
  88    0.398946E-06    0.633630E+02 -0.629621E-08 0.100000E-04    0.996206E+00
  89    0.460330E-04    0.609227E+02 -0.755597E-06 0.100000E-04    0.995910E+00
  90    0.225371E-04    0.596676E+02 -0.377711E-06 0.100000E-04    0.991570E+00
  91    0.538397E-06    0.589715E+02 -0.912978E-08 0.100000E-04    0.968138E+00
  92    0.545175E-04    0.559631E+02 -0.974170E-06 0.100000E-04    0.998117E+00
  93   -0.377592E-04    0.530982E+02  0.711121E-06 0.100000E-04    0.999633E+00
  94    0.364182E-04    0.522320E+02 -0.697239E-06 0.100000E-04    0.994592E+00
  95    0.316149E-04    0.501863E+02 -0.629950E-06 0.100000E-04    0.999759E+00
  96    0.108440E-04    0.478146E+02 -0.226792E-06 0.100000E-04    0.994387E+00
  97    0.351680E-04    0.430396E+02 -0.817107E-06 0.100000E-04    0.993356E+00
  98    0.299187E-04    0.401925E+02 -0.744385E-06 0.100000E-04    0.993818E+00
  99    0.985075E-04    0.371018E+02 -0.265506E-05 0.100000E-04    0.993434E+00
 100    0.115873E-03    0.358131E+02 -0.323550E-05 0.100000E-04    0.999322E+00
 101   -0.155096E-05    0.355146E+02  0.436709E-07 0.100000E-04    0.648516E+00
 102    0.844543E-04    0.288616E+02 -0.292618E-05 0.100000E-04    0.995041E+00
 103   -0.191381E-04    0.287304E+02  0.666126E-06 0.100000E-04    0.981934E+00
 104    0.578626E-04    0.281574E+02 -0.205497E-05 0.100000E-04    0.991610E+00
 105    0.448365E-04    0.229230E+02 -0.195596E-05 0.100000E-04    0.995522E+00
 106   -0.553740E-05    0.218001E+02  0.254007E-06 0.100000E-04    0.887811E+00
 107   -0.123881E-03    0.200161E+02  0.618904E-05 0.100000E-04    0.999542E+00
 108    0.345745E-04    0.168229E+02 -0.205520E-05 0.100000E-04    0.979948E+00
 109   -0.783067E-04    0.137702E+02  0.568668E-05 0.100000E-04    0.998681E+00
 110   -0.173450E-02    0.122925E+02  0.100000E-04 0.100000E-04    0.657319E+00
 111    0.447920E-02    0.989848E+01 -0.100000E-04 0.100000E-04    0.581355E+00
 112    0.620942E-03    0.954598E+01 -0.100000E-04 0.100000E-04    0.300172E+00
 113   -0.146845E-01    0.749403E+01  0.127389E-04 0.127389E-04    0.344039E-01
 114   -0.513749E+00    0.456701E+01 -0.400000E-03 0.400000E-03    0.344525E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1111028099    

 Beginning of optimization cycle  251.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3749339845
 potential> RMS force:                                               0.0483093777   |gradient|=.5158030063    
 Eigenvalues of the Hessian matrix:
   728.58358    672.79559    625.96716    604.50511    588.98627    568.16510 
   566.19123    481.04620    466.85917    461.88864    441.33295    430.29586 
   421.44196    407.28452    397.77442    388.83027    367.42681    362.45572 
   351.42258    338.10004    325.11816    321.57681    319.53625    314.76329 
   304.69966    287.97437    279.20340    270.77204    266.23209    263.54973 
   258.66051    253.73586    242.63380    237.76507    235.68832    228.69549 
   221.77754    213.16577    211.88059    208.01951    203.36353    197.93479 
   195.47704    191.59449    185.08299    176.03922    171.37299    167.65051 
   165.45599    159.73954    153.61612    151.00360    149.10644    143.07268 
   136.98331    135.49058    130.80206    127.75786    126.06112    125.45661 
   119.59283    117.99672    116.86578    111.53331    108.65399    105.00933 
   102.99735     99.93250     96.51548     95.11468     91.93804     90.46137 
    89.69463     84.76727     80.91215     79.60294     78.40347     72.73006 
    71.86139     68.31215     67.52282     63.36207     60.91254     59.66814 
    58.97338     55.96435     53.09388     52.23233     50.18488     47.81217 
    43.03669     40.19478     37.10485     35.81886     35.50464     28.86085 
    28.72981     28.14911     22.92233     21.79652     20.02079     16.82306 
    13.77025     12.29159      9.89362      9.54130      7.49138      4.56352 
overlap for current and previous eigenvector    109 is         0.9999993720
overlap for current and previous eigenvector    110 is         0.9999992726
overlap for current and previous eigenvector    111 is         0.9998229398
overlap for current and previous eigenvector    112 is         0.9998214186
overlap for current and previous eigenvector    113 is         0.9999964745
overlap for current and previous eigenvector    114 is         0.9999996541
J1,K1,R1,R2,RAT=   7   7   -0.1049553943E-01     2.010328172        0.9895044606    
FOB,PFOB,DIAG,PSTEP=   -0.2139888638E-05   -0.2117660786E-05     728.5835783        0.2906788017E-08
J1,K1,R1,R2,RAT=   8   8   -0.9979565758E-02     2.009944296        0.9900204342    
FOB,PFOB,DIAG,PSTEP=   -0.3204918991E-05   -0.3173250768E-05     672.7955908        0.4716598580E-08
J1,K1,R1,R2,RAT=   9   9    0.1064675343E-01     1.989309316        0.9893093165    
FOB,PFOB,DIAG,PSTEP=    0.4779526041E-06    0.4830961224E-06     625.9671636       -0.7717764796E-09
J1,K1,R1,R2,RAT=  10  10    0.5265688167E-02     1.994737632        0.9947343118    
FOB,PFOB,DIAG,PSTEP=    0.1712456347E-05    0.1721521327E-05     604.5051133       -0.2847814569E-08
J1,K1,R1,R2,RAT=  11  11    0.5837986841E-03     1.999443429        0.9994162013    
FOB,PFOB,DIAG,PSTEP=   -0.1129835962E-05   -0.1130495935E-05     588.9862733        0.1919366539E-08
J1,K1,R1,R2,RAT= 109 109   -0.6620160478E-03     2.000654995        0.9993379840    
FOB,PFOB,DIAG,PSTEP=   -0.7835852955E-04   -0.7830668908E-04     13.77024984        0.5686677068E-05
J1,K1,R1,R2,RAT= 110 110   -0.3421060474         28.56469365        0.6578939526    
FOB,PFOB,DIAG,PSTEP=   -0.1776552376E-02   -0.1734502110E-02     12.29158810        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4015883910         90.94886591        0.5984116090    
FOB,PFOB,DIAG,PSTEP=    0.4518934378E-02    0.4479202740E-02     9.893622123       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7499479868         13.76582453        0.2500520132    
FOB,PFOB,DIAG,PSTEP=    0.6924964786E-03    0.6209417143E-03     9.541296927       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8137593919         308.5622848        0.1862406081    
FOB,PFOB,DIAG,PSTEP=   -0.1476212013E-01   -0.1468446180E-01     7.491377922        0.1273885347E-04
J1,K1,R1,R2,RAT= 114 114    0.9965188883        -563.8831853        0.3481111650E-02
FOB,PFOB,DIAG,PSTEP=   -0.5155682978       -0.5137492431         4.563522941       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002     -0.00003     -0.00002      0.00001      0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00004 
    -0.00002     -0.00003     -0.00004      0.00003      0.00006      0.00000 
     0.00002     -0.00002      0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004      0.00002     -0.00004      0.00000      0.00005     -0.00002 
     0.00000     -0.00005      0.00004     -0.00004     -0.00003     -0.00001 
     0.00004      0.00003      0.00010      0.00012     -0.00000      0.00008 
    -0.00002      0.00006      0.00004     -0.00001     -0.00012      0.00003 
    -0.00008     -0.00178      0.00452      0.00069     -0.01476     -0.51557 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4351748620
 Log product of positive Hessian eigenvalues =          520.0844236644
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5635229410
 Unscaled step for mode    7=        0.0000000029
 Unscaled step for mode    8=        0.0000000048
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000017
 Unscaled step for mode   13=        0.0000000050
 Unscaled step for mode   14=        0.0000000089
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000090
 Unscaled step for mode   17=       -0.0000000076
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000306
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000106
 Unscaled step for mode   23=        0.0000000013
 Unscaled step for mode   24=       -0.0000000008
 Unscaled step for mode   25=        0.0000000451
 Unscaled step for mode   26=        0.0000000782
 Unscaled step for mode   27=        0.0000000404
 Unscaled step for mode   28=       -0.0000000162
 Unscaled step for mode   29=       -0.0000000070
 Unscaled step for mode   30=        0.0000000696
 Unscaled step for mode   31=        0.0000000279
 Unscaled step for mode   32=        0.0000000132
 Unscaled step for mode   33=       -0.0000000319
 Unscaled step for mode   34=       -0.0000000222
 Unscaled step for mode   35=       -0.0000000825
 Unscaled step for mode   36=       -0.0000000408
 Unscaled step for mode   37=        0.0000000507
 Unscaled step for mode   38=        0.0000000132
 Unscaled step for mode   39=        0.0000000670
 Unscaled step for mode   40=       -0.0000000276
 Unscaled step for mode   41=        0.0000001090
 Unscaled step for mode   42=        0.0000000328
 Unscaled step for mode   43=       -0.0000000367
 Unscaled step for mode   44=        0.0000000717
 Unscaled step for mode   45=       -0.0000000098
 Unscaled step for mode   46=       -0.0000000765
 Unscaled step for mode   47=        0.0000001305
 Unscaled step for mode   48=       -0.0000000118
 Unscaled step for mode   49=        0.0000000920
 Unscaled step for mode   50=        0.0000000459
 Unscaled step for mode   51=        0.0000000640
 Unscaled step for mode   52=        0.0000000062
 Unscaled step for mode   53=       -0.0000000572
 Unscaled step for mode   54=        0.0000000630
 Unscaled step for mode   55=        0.0000001096
 Unscaled step for mode   56=        0.0000000368
 Unscaled step for mode   57=       -0.0000000374
 Unscaled step for mode   58=        0.0000001237
 Unscaled step for mode   59=       -0.0000000264
 Unscaled step for mode   60=       -0.0000001220
 Unscaled step for mode   61=       -0.0000001256
 Unscaled step for mode   62=        0.0000002251
 Unscaled step for mode   63=        0.0000001626
 Unscaled step for mode   64=       -0.0000001120
 Unscaled step for mode   65=       -0.0000000168
 Unscaled step for mode   66=       -0.0000001977
 Unscaled step for mode   67=        0.0000000297
 Unscaled step for mode   68=       -0.0000000669
 Unscaled step for mode   69=        0.0000000290
 Unscaled step for mode   70=        0.0000001710
 Unscaled step for mode   71=        0.0000000322
 Unscaled step for mode   72=        0.0000003874
 Unscaled step for mode   73=        0.0000001990
 Unscaled step for mode   74=        0.0000002968
 Unscaled step for mode   75=        0.0000004596
 Unscaled step for mode   76=       -0.0000002960
 Unscaled step for mode   77=       -0.0000006533
 Unscaled step for mode   78=       -0.0000000067
 Unscaled step for mode   79=       -0.0000002320
 Unscaled step for mode   80=        0.0000002116
 Unscaled step for mode   81=       -0.0000002175
 Unscaled step for mode   82=        0.0000001056
 Unscaled step for mode   83=        0.0000001721
 Unscaled step for mode   84=        0.0000003919
 Unscaled step for mode   85=        0.0000005428
 Unscaled step for mode   86=       -0.0000002591
 Unscaled step for mode   87=        0.0000005243
 Unscaled step for mode   88=       -0.0000000073
 Unscaled step for mode   89=       -0.0000007575
 Unscaled step for mode   90=        0.0000003777
 Unscaled step for mode   91=       -0.0000000088
 Unscaled step for mode   92=        0.0000009770
 Unscaled step for mode   93=       -0.0000007089
 Unscaled step for mode   94=        0.0000006990
 Unscaled step for mode   95=        0.0000006273
 Unscaled step for mode   96=        0.0000002276
 Unscaled step for mode   97=       -0.0000008171
 Unscaled step for mode   98=       -0.0000007475
 Unscaled step for mode   99=       -0.0000026612
 Unscaled step for mode  100=       -0.0000032302
 Unscaled step for mode  101=        0.0000000492
 Unscaled step for mode  102=       -0.0000029323
 Unscaled step for mode  103=        0.0000006486
 Unscaled step for mode  104=       -0.0000020614
 Unscaled step for mode  105=       -0.0000019616
 Unscaled step for mode  106=        0.0000002410
 Unscaled step for mode  107=        0.0000061810
 Unscaled step for mode  108=       -0.0000020431
 Unscaled step for mode  109=        0.0000056904
 Unscaled step for mode  110=        0.0001445340
 Unscaled step for mode  111=       -0.0004567522
 Unscaled step for mode  112=       -0.0000725789
 Unscaled step for mode  113=        0.0019705404
 Unscaled step for mode  114=       -0.1115696407
 Largest modulus ratio of non-zero e/values=           159.6537560    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.412647E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.103563E-14    0.100732E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.151788E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.405255E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.680012E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.917154E-15    0.973765E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.213989E-05    0.728584E+03  0.293705E-08 0.100000E-04    0.989504E+00
   8   -0.320492E-05    0.672796E+03  0.476359E-08 0.100000E-04    0.990020E+00
   9    0.477953E-06    0.625967E+03 -0.763543E-09 0.100000E-04    0.989309E+00
  10    0.171246E-05    0.604505E+03 -0.283282E-08 0.100000E-04    0.994734E+00
  11   -0.112984E-05    0.588986E+03  0.191827E-08 0.100000E-04    0.999416E+00
  12    0.937938E-06    0.568165E+03 -0.165082E-08 0.100000E-04    0.946668E+00
  13   -0.285640E-05    0.566191E+03  0.504494E-08 0.100000E-04    0.990139E+00
  14   -0.429022E-05    0.481046E+03  0.891851E-08 0.100000E-04    0.991634E+00
  15    0.178596E-05    0.466859E+03 -0.382549E-08 0.100000E-04    0.996609E+00
  16    0.417467E-05    0.461889E+03 -0.903827E-08 0.100000E-04    0.995636E+00
  17    0.335864E-05    0.441333E+03 -0.761021E-08 0.100000E-04    0.998774E+00
  18    0.461328E-05    0.430296E+03 -0.107212E-07 0.100000E-04    0.998493E+00
  19   -0.128901E-04    0.421442E+03  0.305857E-07 0.100000E-04    0.997328E+00
  20    0.869262E-05    0.407285E+03 -0.213429E-07 0.100000E-04    0.997742E+00
  21    0.718050E-05    0.397774E+03 -0.180517E-07 0.100000E-04    0.999745E+00
  22   -0.411740E-05    0.388830E+03  0.105892E-07 0.100000E-04    0.990857E+00
  23   -0.484792E-06    0.367427E+03  0.131943E-08 0.100000E-04    0.952209E+00
  24    0.289170E-06    0.362456E+03 -0.797806E-09 0.100000E-04    0.934328E+00
  25   -0.158417E-04    0.351423E+03  0.450788E-07 0.100000E-04    0.996793E+00
  26   -0.264253E-04    0.338100E+03  0.781582E-07 0.100000E-04    0.996787E+00
  27   -0.131340E-04    0.325118E+03  0.403976E-07 0.100000E-04    0.995853E+00
  28    0.522238E-05    0.321577E+03 -0.162399E-07 0.100000E-04    0.979053E+00
  29    0.225208E-05    0.319536E+03 -0.704796E-08 0.100000E-04    0.981095E+00
  30   -0.219157E-04    0.314763E+03  0.696261E-07 0.100000E-04    0.996441E+00
  31   -0.851369E-05    0.304700E+03  0.279412E-07 0.100000E-04    0.990632E+00
  32   -0.379091E-05    0.287974E+03  0.131641E-07 0.100000E-04    0.993049E+00
  33    0.890430E-05    0.279203E+03 -0.318918E-07 0.100000E-04    0.997589E+00
  34    0.600157E-05    0.270772E+03 -0.221646E-07 0.100000E-04    0.994078E+00
  35    0.219694E-04    0.266232E+03 -0.825196E-07 0.100000E-04    0.997291E+00
  36    0.107514E-04    0.263550E+03 -0.407945E-07 0.100000E-04    0.991258E+00
  37   -0.131218E-04    0.258661E+03  0.507297E-07 0.100000E-04    0.995370E+00
  38   -0.333800E-05    0.253736E+03  0.131554E-07 0.100000E-04    0.996910E+00
  39   -0.162489E-04    0.242634E+03  0.669688E-07 0.100000E-04    0.998122E+00
  40    0.656453E-05    0.237765E+03 -0.276093E-07 0.100000E-04    0.975269E+00
  41   -0.256990E-04    0.235688E+03  0.109038E-06 0.100000E-04    0.991104E+00
  42   -0.750110E-05    0.228695E+03  0.327995E-07 0.100000E-04    0.992384E+00
  43    0.813123E-05    0.221778E+03 -0.366639E-07 0.100000E-04    0.990410E+00
  44   -0.152886E-04    0.213166E+03  0.717217E-07 0.100000E-04    0.990529E+00
  45    0.208114E-05    0.211881E+03 -0.982224E-08 0.100000E-04    0.973672E+00
  46    0.159180E-04    0.208020E+03 -0.765219E-07 0.100000E-04    0.993427E+00
  47   -0.265387E-04    0.203364E+03  0.130499E-06 0.100000E-04    0.996434E+00
  48    0.232701E-05    0.197935E+03 -0.117565E-07 0.100000E-04    0.988886E+00
  49   -0.179851E-04    0.195477E+03  0.920064E-07 0.100000E-04    0.993967E+00
  50   -0.878610E-05    0.191594E+03  0.458578E-07 0.100000E-04    0.996189E+00
  51   -0.118390E-04    0.185083E+03  0.639661E-07 0.100000E-04    0.993981E+00
  52   -0.109651E-05    0.176039E+03  0.622879E-08 0.100000E-04    0.971465E+00
  53    0.980893E-05    0.171373E+03 -0.572373E-07 0.100000E-04    0.996714E+00
  54   -0.105703E-04    0.167651E+03  0.630498E-07 0.100000E-04    0.991097E+00
  55   -0.181265E-04    0.165456E+03  0.109555E-06 0.100000E-04    0.997723E+00
  56   -0.588023E-05    0.159740E+03  0.368114E-07 0.100000E-04    0.999490E+00
  57    0.574897E-05    0.153616E+03 -0.374243E-07 0.100000E-04    0.992999E+00
  58   -0.186750E-04    0.151004E+03  0.123673E-06 0.100000E-04    0.995739E+00
  59    0.393015E-05    0.149106E+03 -0.263580E-07 0.100000E-04    0.988198E+00
  60    0.174573E-04    0.143073E+03 -0.122017E-06 0.100000E-04    0.995486E+00
  61    0.172007E-04    0.136983E+03 -0.125568E-06 0.100000E-04    0.995532E+00
  62   -0.304939E-04    0.135491E+03  0.225063E-06 0.100000E-04    0.999676E+00
  63   -0.212688E-04    0.130802E+03  0.162603E-06 0.100000E-04    0.999931E+00
  64    0.143128E-04    0.127758E+03 -0.112031E-06 0.100000E-04    0.990398E+00
  65    0.211649E-05    0.126061E+03 -0.167894E-07 0.100000E-04    0.960282E+00
  66    0.248037E-04    0.125457E+03 -0.197707E-06 0.100000E-04    0.999351E+00
  67   -0.355194E-05    0.119593E+03  0.297003E-07 0.100000E-04    0.981484E+00
  68    0.788817E-05    0.117997E+03 -0.668508E-07 0.100000E-04    0.998466E+00
  69   -0.339244E-05    0.116866E+03  0.290285E-07 0.100000E-04    0.996260E+00
  70   -0.190673E-04    0.111533E+03  0.170956E-06 0.100000E-04    0.993347E+00
  71   -0.349941E-05    0.108654E+03  0.322069E-07 0.100000E-04    0.991174E+00
  72   -0.406849E-04    0.105009E+03  0.387441E-06 0.100000E-04    0.995978E+00
  73   -0.204954E-04    0.102997E+03  0.198990E-06 0.100000E-04    0.995029E+00
  74   -0.296628E-04    0.999325E+02  0.296828E-06 0.100000E-04    0.999201E+00
  75   -0.443556E-04    0.965155E+02  0.459570E-06 0.100000E-04    0.992556E+00
  76    0.281513E-04    0.951147E+02 -0.295972E-06 0.100000E-04    0.999217E+00
  77    0.600671E-04    0.919380E+02 -0.653343E-06 0.100000E-04    0.998189E+00
  78    0.602197E-06    0.904614E+02 -0.665695E-08 0.100000E-04    0.927111E+00
  79    0.208088E-04    0.896946E+02 -0.231996E-06 0.100000E-04    0.989238E+00
  80   -0.179391E-04    0.847673E+02  0.211627E-06 0.100000E-04    0.995977E+00
  81    0.175990E-04    0.809122E+02 -0.217508E-06 0.100000E-04    0.997068E+00
  82   -0.840337E-05    0.796029E+02  0.105566E-06 0.100000E-04    0.982544E+00
  83   -0.134914E-04    0.784035E+02  0.172076E-06 0.100000E-04    0.994522E+00
  84   -0.285028E-04    0.727301E+02  0.391899E-06 0.100000E-04    0.996926E+00
  85   -0.390079E-04    0.718614E+02  0.542822E-06 0.100000E-04    0.999209E+00
  86    0.177003E-04    0.683122E+02 -0.259109E-06 0.100000E-04    0.979732E+00
  87   -0.354053E-04    0.675228E+02  0.524345E-06 0.100000E-04    0.994059E+00
  88    0.465530E-06    0.633621E+02 -0.734714E-08 0.100000E-04    0.833099E+00
  89    0.461438E-04    0.609125E+02 -0.757542E-06 0.100000E-04    0.997593E+00
  90   -0.225392E-04    0.596681E+02  0.377743E-06 0.100000E-04    0.999907E+00
  91    0.520232E-06    0.589734E+02 -0.882148E-08 0.100000E-04    0.966199E+00
  92   -0.546747E-04    0.559643E+02  0.976956E-06 0.100000E-04    0.997117E+00
  93    0.376357E-04    0.530939E+02 -0.708852E-06 0.100000E-04    0.996729E+00
  94   -0.365089E-04    0.522323E+02  0.698970E-06 0.100000E-04    0.997510E+00
  95   -0.314811E-04    0.501849E+02  0.627301E-06 0.100000E-04    0.995767E+00
  96   -0.108797E-04    0.478122E+02  0.227551E-06 0.100000E-04    0.996705E+00
  97    0.351644E-04    0.430367E+02 -0.817079E-06 0.100000E-04    0.999898E+00
  98    0.300450E-04    0.401948E+02 -0.747485E-06 0.100000E-04    0.995778E+00
  99    0.987429E-04    0.371049E+02 -0.266119E-05 0.100000E-04    0.997611E+00
 100    0.115702E-03    0.358189E+02 -0.323020E-05 0.100000E-04    0.998202E+00
 101   -0.174624E-05    0.355046E+02  0.491834E-07 0.100000E-04    0.874054E+00
 102    0.846300E-04    0.288609E+02 -0.293234E-05 0.100000E-04    0.997920E+00
 103   -0.186348E-04    0.287298E+02  0.648624E-06 0.100000E-04    0.973704E+00
 104    0.580256E-04    0.281491E+02 -0.206137E-05 0.100000E-04    0.997181E+00
 105    0.449638E-04    0.229223E+02 -0.196157E-05 0.100000E-04    0.997160E+00
 106   -0.525287E-05    0.217965E+02  0.240996E-06 0.100000E-04    0.948609E+00
 107   -0.123749E-03    0.200208E+02  0.618105E-05 0.100000E-04    0.998474E+00
 108    0.343712E-04    0.168231E+02 -0.204310E-05 0.100000E-04    0.994101E+00
 109   -0.783585E-04    0.137702E+02  0.569042E-05 0.100000E-04    0.999338E+00
 110   -0.177655E-02    0.122916E+02  0.100000E-04 0.100000E-04    0.657894E+00
 111    0.451893E-02    0.989362E+01 -0.100000E-04 0.100000E-04    0.598412E+00
 112    0.692496E-03    0.954130E+01 -0.100000E-04 0.100000E-04    0.250052E+00
 113   -0.147621E-01    0.749138E+01  0.138854E-04 0.138854E-04    0.186241E+00
 114   -0.515568E+00    0.456352E+01 -0.400000E-03 0.400000E-03    0.348111E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1115696407    

 Beginning of optimization cycle  252.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3747276662
 potential> RMS force:                                               0.0484797760   |gradient|=.5176223624    
 Eigenvalues of the Hessian matrix:
   728.64457    672.80729    625.98087    604.50412    588.97813    568.20563 
   566.20477    481.06894    466.83601    461.88034    441.33329    430.28767 
   421.44769    407.29404    397.76993    388.83125    367.43183    362.44631 
   351.41497    338.07043    325.12662    321.57520    319.54870    314.73483 
   304.69231    287.98087    279.19784    270.76950    266.23922    263.55952 
   258.67026    253.73855    242.62832    237.76218    235.68894    228.69461 
   221.75742    213.17291    211.88536    208.00858    203.36657    197.93038 
   195.47544    191.59408    185.07273    176.02604    171.37913    167.64761 
   165.45226    159.73138    153.61949    151.00591    149.10386    143.07536 
   136.98419    135.49564    130.80032    127.76049    126.06106    125.46059 
   119.59463    117.99749    116.86814    111.52638    108.64324    105.00591 
   102.99892     99.92980     96.50718     95.11391     91.94987     90.45757 
    89.70057     84.76997     80.91235     79.60586     78.40183     72.72973 
    71.86541     68.31114     67.51255     63.36116     60.90238     59.66870 
    58.97523     55.96557     53.08955     52.23266     50.18345     47.80971 
    43.03381     40.19705     37.10797     35.82450     35.49459     28.86008 
    28.72919     28.14080     22.92176     21.79284     20.02546     16.82322 
    13.77030     12.29068      9.88903      9.53639      7.48868      4.56001 
overlap for current and previous eigenvector    109 is        -0.9999993773
overlap for current and previous eigenvector    110 is         0.9999992782
overlap for current and previous eigenvector    111 is         0.9998240714
overlap for current and previous eigenvector    112 is         0.9998224097
overlap for current and previous eigenvector    113 is         0.9999964252
overlap for current and previous eigenvector    114 is         0.9999996539
J1,K1,R1,R2,RAT=   7   7   -0.1043005865E-01     2.010262651        0.9895699414    
FOB,PFOB,DIAG,PSTEP=   -0.2162209671E-05   -0.2139888638E-05     728.6445688        0.2937053074E-08
J1,K1,R1,R2,RAT=   8   8   -0.1021606629E-01     2.010181277        0.9897839337    
FOB,PFOB,DIAG,PSTEP=   -0.3237661225E-05   -0.3204918991E-05     672.8072940        0.4763585010E-08
J1,K1,R1,R2,RAT=   9   9    0.1023463735E-01     1.989721571        0.9897215706    
FOB,PFOB,DIAG,PSTEP=    0.4730608254E-06    0.4779526041E-06     625.9808700       -0.7635426136E-09
J1,K1,R1,R2,RAT=  10  10    0.5372127050E-02     1.994631170        0.9946278729    
FOB,PFOB,DIAG,PSTEP=    0.1703256829E-05    0.1712456347E-05     604.5041166       -0.2832823593E-08
J1,K1,R1,R2,RAT=  11  11    0.7651071739E-03     1.999262552        0.9992348928    
FOB,PFOB,DIAG,PSTEP=   -0.1128971529E-05   -0.1129835962E-05     588.9781278        0.1918272146E-08
J1,K1,R1,R2,RAT= 109 109     2.000704471       -0.7123847397E-03    0.9992876153    
FOB,PFOB,DIAG,PSTEP=    0.7841435119E-04   -0.7835852955E-04     13.77030433        0.5690421776E-05
J1,K1,R1,R2,RAT= 110 110   -0.3408434785         29.24977752        0.6591565215    
FOB,PFOB,DIAG,PSTEP=   -0.1818444359E-02   -0.1776552376E-02     12.29068062        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3843400475         91.77724826        0.6156599525    
FOB,PFOB,DIAG,PSTEP=    0.4556941867E-02    0.4518934378E-02     9.889026329       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7990834312         15.32231798        0.2009165688    
FOB,PFOB,DIAG,PSTEP=    0.7687002278E-03    0.6924964786E-03     9.536394610       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.6771357163         284.6107734        0.3228642837    
FOB,PFOB,DIAG,PSTEP=   -0.1483253066E-01   -0.1476212013E-01     7.488676055        0.1388535028E-04
J1,K1,R1,R2,RAT= 114 114    0.9964778440        -566.3109202        0.3522156031E-02
FOB,PFOB,DIAG,PSTEP=   -0.5173858788       -0.5155682978         4.560013500       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
     0.00002      0.00001     -0.00001      0.00002      0.00000      0.00002 
    -0.00002     -0.00003     -0.00002      0.00001      0.00000      0.00002 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000      0.00004 
     0.00002     -0.00003     -0.00004      0.00003      0.00006      0.00000 
     0.00002     -0.00002      0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004      0.00002     -0.00004      0.00000      0.00005     -0.00002 
    -0.00000      0.00005     -0.00004      0.00004     -0.00003     -0.00001 
    -0.00004     -0.00003     -0.00010      0.00012     -0.00000      0.00008 
    -0.00002      0.00006     -0.00005      0.00000      0.00012     -0.00003 
     0.00008     -0.00182      0.00456      0.00077     -0.01483     -0.51739 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4350888020
 Log product of positive Hessian eigenvalues =          520.0813709893
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5600135003
 Unscaled step for mode    7=        0.0000000030
 Unscaled step for mode    8=        0.0000000048
 Unscaled step for mode    9=       -0.0000000008
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000016
 Unscaled step for mode   13=        0.0000000051
 Unscaled step for mode   14=        0.0000000088
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000091
 Unscaled step for mode   17=       -0.0000000076
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000307
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000107
 Unscaled step for mode   23=        0.0000000013
 Unscaled step for mode   24=       -0.0000000007
 Unscaled step for mode   25=        0.0000000452
 Unscaled step for mode   26=        0.0000000784
 Unscaled step for mode   27=        0.0000000406
 Unscaled step for mode   28=       -0.0000000166
 Unscaled step for mode   29=       -0.0000000072
 Unscaled step for mode   30=        0.0000000699
 Unscaled step for mode   31=        0.0000000282
 Unscaled step for mode   32=        0.0000000133
 Unscaled step for mode   33=       -0.0000000320
 Unscaled step for mode   34=       -0.0000000223
 Unscaled step for mode   35=       -0.0000000828
 Unscaled step for mode   36=       -0.0000000412
 Unscaled step for mode   37=        0.0000000510
 Unscaled step for mode   38=        0.0000000131
 Unscaled step for mode   39=        0.0000000671
 Unscaled step for mode   40=       -0.0000000269
 Unscaled step for mode   41=        0.0000001100
 Unscaled step for mode   42=        0.0000000331
 Unscaled step for mode   43=       -0.0000000370
 Unscaled step for mode   44=        0.0000000724
 Unscaled step for mode   45=       -0.0000000095
 Unscaled step for mode   46=       -0.0000000770
 Unscaled step for mode   47=        0.0000001310
 Unscaled step for mode   48=       -0.0000000119
 Unscaled step for mode   49=        0.0000000926
 Unscaled step for mode   50=        0.0000000456
 Unscaled step for mode   51=        0.0000000644
 Unscaled step for mode   52=        0.0000000064
 Unscaled step for mode   53=       -0.0000000574
 Unscaled step for mode   54=       -0.0000000636
 Unscaled step for mode   55=       -0.0000001098
 Unscaled step for mode   56=       -0.0000000368
 Unscaled step for mode   57=        0.0000000377
 Unscaled step for mode   58=       -0.0000001242
 Unscaled step for mode   59=       -0.0000000261
 Unscaled step for mode   60=       -0.0000001226
 Unscaled step for mode   61=        0.0000001261
 Unscaled step for mode   62=        0.0000002251
 Unscaled step for mode   63=        0.0000001626
 Unscaled step for mode   64=       -0.0000001131
 Unscaled step for mode   65=       -0.0000000175
 Unscaled step for mode   66=       -0.0000001978
 Unscaled step for mode   67=        0.0000000303
 Unscaled step for mode   68=       -0.0000000670
 Unscaled step for mode   69=        0.0000000291
 Unscaled step for mode   70=        0.0000001721
 Unscaled step for mode   71=        0.0000000325
 Unscaled step for mode   72=       -0.0000003890
 Unscaled step for mode   73=       -0.0000002000
 Unscaled step for mode   74=        0.0000002966
 Unscaled step for mode   75=        0.0000004631
 Unscaled step for mode   76=       -0.0000002957
 Unscaled step for mode   77=       -0.0000006545
 Unscaled step for mode   78=       -0.0000000061
 Unscaled step for mode   79=       -0.0000002295
 Unscaled step for mode   80=        0.0000002125
 Unscaled step for mode   81=       -0.0000002181
 Unscaled step for mode   82=        0.0000001037
 Unscaled step for mode   83=        0.0000001731
 Unscaled step for mode   84=        0.0000003931
 Unscaled step for mode   85=        0.0000005431
 Unscaled step for mode   86=       -0.0000002538
 Unscaled step for mode   87=        0.0000005273
 Unscaled step for mode   88=       -0.0000000084
 Unscaled step for mode   89=       -0.0000007593
 Unscaled step for mode   90=        0.0000003776
 Unscaled step for mode   91=        0.0000000085
 Unscaled step for mode   92=       -0.0000009799
 Unscaled step for mode   93=        0.0000007064
 Unscaled step for mode   94=       -0.0000007007
 Unscaled step for mode   95=        0.0000006246
 Unscaled step for mode   96=        0.0000002285
 Unscaled step for mode   97=        0.0000008168
 Unscaled step for mode   98=        0.0000007508
 Unscaled step for mode   99=        0.0000026668
 Unscaled step for mode  100=       -0.0000032248
 Unscaled step for mode  101=        0.0000000537
 Unscaled step for mode  102=       -0.0000029380
 Unscaled step for mode  103=        0.0000006311
 Unscaled step for mode  104=       -0.0000020669
 Unscaled step for mode  105=        0.0000019656
 Unscaled step for mode  106=       -0.0000002251
 Unscaled step for mode  107=       -0.0000061735
 Unscaled step for mode  108=        0.0000020339
 Unscaled step for mode  109=       -0.0000056945
 Unscaled step for mode  110=        0.0001479531
 Unscaled step for mode  111=       -0.0004608078
 Unscaled step for mode  112=       -0.0000806070
 Unscaled step for mode  113=        0.0019806535
 Unscaled step for mode  114=       -0.1120372714
 Largest modulus ratio of non-zero e/values=           159.7900025    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.621031E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.287097E-15    0.100731E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.926044E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.195736E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.247198E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.902734E-15    0.973767E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.216221E-05    0.728645E+03  0.296744E-08 0.100000E-04    0.989570E+00
   8   -0.323766E-05    0.672807E+03  0.481217E-08 0.100000E-04    0.989784E+00
   9    0.473061E-06    0.625981E+03 -0.755711E-09 0.100000E-04    0.989722E+00
  10    0.170326E-05    0.604504E+03 -0.281761E-08 0.100000E-04    0.994628E+00
  11   -0.112897E-05    0.588978E+03  0.191683E-08 0.100000E-04    0.999235E+00
  12    0.885161E-06    0.568206E+03 -0.155782E-08 0.100000E-04    0.943592E+00
  13   -0.288488E-05    0.566205E+03  0.509513E-08 0.100000E-04    0.990028E+00
  14   -0.425340E-05    0.481069E+03  0.884156E-08 0.100000E-04    0.991325E+00
  15    0.179311E-05    0.466836E+03 -0.384099E-08 0.100000E-04    0.995998E+00
  16    0.419285E-05    0.461880E+03 -0.907779E-08 0.100000E-04    0.995646E+00
  17    0.336298E-05    0.441333E+03 -0.762004E-08 0.100000E-04    0.998708E+00
  18    0.462043E-05    0.430288E+03 -0.107380E-07 0.100000E-04    0.998451E+00
  19   -0.129240E-04    0.421448E+03  0.306657E-07 0.100000E-04    0.997369E+00
  20    0.867200E-05    0.407294E+03 -0.212917E-07 0.100000E-04    0.997581E+00
  21    0.717762E-05    0.397770E+03 -0.180447E-07 0.100000E-04    0.999599E+00
  22   -0.415465E-05    0.388831E+03  0.106850E-07 0.100000E-04    0.990953E+00
  23   -0.460281E-06    0.367432E+03  0.125270E-08 0.100000E-04    0.949413E+00
  24    0.269047E-06    0.362446E+03 -0.742309E-09 0.100000E-04    0.930412E+00
  25   -0.158937E-04    0.351415E+03  0.452277E-07 0.100000E-04    0.996719E+00
  26   -0.265065E-04    0.338070E+03  0.784051E-07 0.100000E-04    0.996928E+00
  27   -0.131869E-04    0.325127E+03  0.405592E-07 0.100000E-04    0.995973E+00
  28    0.532771E-05    0.321575E+03 -0.165675E-07 0.100000E-04    0.979832E+00
  29    0.229261E-05    0.319549E+03 -0.717453E-08 0.100000E-04    0.982003E+00
  30   -0.219979E-04    0.314735E+03  0.698934E-07 0.100000E-04    0.996251E+00
  31   -0.859280E-05    0.304692E+03  0.282016E-07 0.100000E-04    0.990707E+00
  32   -0.381758E-05    0.287981E+03  0.132564E-07 0.100000E-04    0.992966E+00
  33    0.892417E-05    0.279198E+03 -0.319636E-07 0.100000E-04    0.997768E+00
  34    0.603468E-05    0.270769E+03 -0.222871E-07 0.100000E-04    0.994483E+00
  35    0.220320E-04    0.266239E+03 -0.827527E-07 0.100000E-04    0.997149E+00
  36    0.108477E-04    0.263560E+03 -0.411585E-07 0.100000E-04    0.991040E+00
  37   -0.131828E-04    0.258670E+03  0.509636E-07 0.100000E-04    0.995352E+00
  38   -0.332979E-05    0.253739E+03  0.131229E-07 0.100000E-04    0.997518E+00
  39   -0.162771E-04    0.242628E+03  0.670864E-07 0.100000E-04    0.998266E+00
  40    0.639377E-05    0.237762E+03 -0.268914E-07 0.100000E-04    0.973987E+00
  41   -0.259261E-04    0.235689E+03  0.110002E-06 0.100000E-04    0.991160E+00
  42   -0.756191E-05    0.228695E+03  0.330656E-07 0.100000E-04    0.991893E+00
  43    0.821014E-05    0.221757E+03 -0.370231E-07 0.100000E-04    0.990295E+00
  44   -0.154366E-04    0.213173E+03  0.724136E-07 0.100000E-04    0.990320E+00
  45    0.202046E-05    0.211885E+03 -0.953562E-08 0.100000E-04    0.970798E+00
  46    0.160237E-04    0.208009E+03 -0.770337E-07 0.100000E-04    0.993363E+00
  47   -0.266353E-04    0.203367E+03  0.130972E-06 0.100000E-04    0.996363E+00
  48    0.235297E-05    0.197930E+03 -0.118879E-07 0.100000E-04    0.988844E+00
  49   -0.180952E-04    0.195475E+03  0.925700E-07 0.100000E-04    0.993883E+00
  50   -0.874560E-05    0.191594E+03  0.456465E-07 0.100000E-04    0.995391E+00
  51   -0.119112E-04    0.185073E+03  0.643597E-07 0.100000E-04    0.993903E+00
  52   -0.112837E-05    0.176026E+03  0.641023E-08 0.100000E-04    0.970946E+00
  53    0.984094E-05    0.171379E+03 -0.574221E-07 0.100000E-04    0.996736E+00
  54    0.106653E-04    0.167648E+03 -0.636176E-07 0.100000E-04    0.991012E+00
  55    0.181720E-04    0.165452E+03 -0.109832E-06 0.100000E-04    0.997486E+00
  56    0.587588E-05    0.159731E+03 -0.367860E-07 0.100000E-04    0.999260E+00
  57   -0.578937E-05    0.153619E+03  0.376864E-07 0.100000E-04    0.992973E+00
  58    0.187563E-04    0.151006E+03 -0.124209E-06 0.100000E-04    0.995646E+00
  59    0.388537E-05    0.149104E+03 -0.260581E-07 0.100000E-04    0.988605E+00
  60    0.175390E-04    0.143075E+03 -0.122586E-06 0.100000E-04    0.995320E+00
  61   -0.172757E-04    0.136984E+03  0.126115E-06 0.100000E-04    0.995637E+00
  62   -0.305028E-04    0.135496E+03  0.225120E-06 0.100000E-04    0.999710E+00
  63   -0.212646E-04    0.130800E+03  0.162573E-06 0.100000E-04    0.999803E+00
  64    0.144494E-04    0.127760E+03 -0.113098E-06 0.100000E-04    0.990456E+00
  65    0.220034E-05    0.126061E+03 -0.174545E-07 0.100000E-04    0.960382E+00
  66    0.248172E-04    0.125461E+03 -0.197808E-06 0.100000E-04    0.999458E+00
  67   -0.362195E-05    0.119595E+03  0.302852E-07 0.100000E-04    0.980290E+00
  68    0.790191E-05    0.117997E+03 -0.669667E-07 0.100000E-04    0.998259E+00
  69   -0.340509E-05    0.116868E+03  0.291362E-07 0.100000E-04    0.996271E+00
  70   -0.191978E-04    0.111526E+03  0.172137E-06 0.100000E-04    0.993152E+00
  71   -0.352892E-05    0.108643E+03  0.324817E-07 0.100000E-04    0.991566E+00
  72    0.408425E-04    0.105006E+03 -0.388954E-06 0.100000E-04    0.996127E+00
  73    0.205985E-04    0.102999E+03 -0.199988E-06 0.100000E-04    0.994970E+00
  74   -0.296385E-04    0.999298E+02  0.296593E-06 0.100000E-04    0.999179E+00
  75   -0.446884E-04    0.965072E+02  0.463058E-06 0.100000E-04    0.992496E+00
  76    0.281279E-04    0.951139E+02 -0.295729E-06 0.100000E-04    0.999169E+00
  77    0.601771E-04    0.919499E+02 -0.654455E-06 0.100000E-04    0.998169E+00
  78    0.554525E-06    0.904576E+02 -0.613022E-08 0.100000E-04    0.920834E+00
  79    0.205838E-04    0.897006E+02 -0.229472E-06 0.100000E-04    0.989053E+00
  80   -0.180132E-04    0.847700E+02  0.212495E-06 0.100000E-04    0.995868E+00
  81    0.176509E-04    0.809124E+02 -0.218148E-06 0.100000E-04    0.997054E+00
  82   -0.825260E-05    0.796059E+02  0.103668E-06 0.100000E-04    0.981986E+00
  83   -0.135683E-04    0.784018E+02  0.173061E-06 0.100000E-04    0.994298E+00
  84   -0.285886E-04    0.727297E+02  0.393080E-06 0.100000E-04    0.996991E+00
  85   -0.390333E-04    0.718654E+02  0.543144E-06 0.100000E-04    0.999351E+00
  86    0.173372E-04    0.683111E+02 -0.253798E-06 0.100000E-04    0.979487E+00
  87   -0.356014E-04    0.675126E+02  0.527330E-06 0.100000E-04    0.994460E+00
  88    0.535288E-06    0.633612E+02 -0.844820E-08 0.100000E-04    0.850152E+00
  89    0.462402E-04    0.609024E+02 -0.759251E-06 0.100000E-04    0.997911E+00
  90   -0.225319E-04    0.596687E+02  0.377616E-06 0.100000E-04    0.999655E+00
  91   -0.504192E-06    0.589752E+02  0.854921E-08 0.100000E-04    0.969104E+00
  92    0.548391E-04    0.559656E+02 -0.979872E-06 0.100000E-04    0.996993E+00
  93   -0.375028E-04    0.530896E+02  0.706407E-06 0.100000E-04    0.996469E+00
  94    0.366013E-04    0.522327E+02 -0.700737E-06 0.100000E-04    0.997467E+00
  95   -0.313445E-04    0.501834E+02  0.624598E-06 0.100000E-04    0.995661E+00
  96   -0.109237E-04    0.478097E+02  0.228483E-06 0.100000E-04    0.995954E+00
  97   -0.351487E-04    0.430338E+02  0.816769E-06 0.100000E-04    0.999553E+00
  98   -0.301780E-04    0.401970E+02  0.750753E-06 0.100000E-04    0.995572E+00
  99   -0.989608E-04    0.371080E+02  0.266683E-05 0.100000E-04    0.997793E+00
 100    0.115526E-03    0.358245E+02 -0.322478E-05 0.100000E-04    0.998165E+00
 101   -0.190575E-05    0.354946E+02  0.536912E-07 0.100000E-04    0.908630E+00
 102    0.847915E-04    0.288601E+02 -0.293802E-05 0.100000E-04    0.998092E+00
 103   -0.181312E-04    0.287292E+02  0.631109E-06 0.100000E-04    0.972975E+00
 104    0.581634E-04    0.281408E+02 -0.206687E-05 0.100000E-04    0.997625E+00
 105   -0.450558E-04    0.229218E+02  0.196563E-05 0.100000E-04    0.997955E+00
 106    0.490617E-05    0.217928E+02 -0.225127E-06 0.100000E-04    0.933986E+00
 107    0.123628E-03    0.200255E+02 -0.617353E-05 0.100000E-04    0.998551E+00
 108   -0.342163E-04    0.168232E+02  0.203387E-05 0.100000E-04    0.995474E+00
 109    0.784144E-04    0.137703E+02 -0.569445E-05 0.100000E-04    0.999288E+00
 110   -0.181844E-02    0.122907E+02  0.100000E-04 0.100000E-04    0.659157E+00
 111    0.455694E-02    0.988903E+01 -0.100000E-04 0.100000E-04    0.615660E+00
 112    0.768700E-03    0.953639E+01 -0.100000E-04 0.100000E-04    0.200917E+00
 113   -0.148325E-01    0.748868E+01  0.125093E-04 0.125093E-04    0.322864E+00
 114   -0.517386E+00    0.456001E+01 -0.400000E-03 0.400000E-03    0.352216E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1120372714    

 Beginning of optimization cycle  253.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3745206034
 potential> RMS force:                                               0.0486500671   |gradient|=.5194405731    
 Eigenvalues of the Hessian matrix:
   728.70561    672.81905    625.99456    604.50292    588.97004    568.24612 
   566.21823    481.09177    466.81286    461.87204    441.33362    430.27938 
   421.45337    407.30354    397.76542    388.83221    367.43683    362.43692 
   351.40729    338.04088    325.13507    321.57360    319.56110    314.70636 
   304.68486    287.98740    279.19228    270.76695    266.24636    263.56923 
   258.67992    253.74122    242.62280    237.75953    235.68923    228.69365 
   221.73729    213.18002    211.89011    207.99771    203.36959    197.92593 
   195.47377    191.59366    185.06244    176.01291    171.38527    167.64473 
   165.44849    159.72321    153.62286    151.00829    149.10123    143.07806 
   136.98508    135.50066    130.79861    127.76313    126.06102    125.46455 
   119.59645    117.99829    116.87051    111.51947    108.63255    105.00254 
   103.00048     99.92713     96.49888     95.11311     91.96172     90.45383 
    89.70640     84.77267     80.91254     79.60874     78.40021     72.72945 
    71.86948     68.31024     67.50221     63.36023     60.89227     59.66928 
    58.97709     55.96681     53.08526     52.23303     50.18201     47.80727 
    43.03094     40.19933     37.11114     35.83016     35.48455     28.85930 
    28.72857     28.13250     22.92122     21.78912     20.03017     16.82338 
    13.77037     12.28978      9.88469      9.53126      7.48595      4.55649 
overlap for current and previous eigenvector    109 is        -0.9999993833
overlap for current and previous eigenvector    110 is         0.9999992836
overlap for current and previous eigenvector    111 is         0.9998260448
overlap for current and previous eigenvector    112 is         0.9998242400
overlap for current and previous eigenvector    113 is         0.9999963828
overlap for current and previous eigenvector    114 is         0.9999996566
J1,K1,R1,R2,RAT=   7   7   -0.1173393650E-01     2.011566397        0.9882660635    
FOB,PFOB,DIAG,PSTEP=   -0.2187583027E-05   -0.2162209671E-05     728.7056123        0.2967440867E-08
J1,K1,R1,R2,RAT=   8   8   -0.8302341851E-03     2.000795274        0.9991697658    
FOB,PFOB,DIAG,PSTEP=   -0.3240349289E-05   -0.3237661225E-05     672.8190547        0.4812167250E-08
J1,K1,R1,R2,RAT=   9   9    0.1233292033E-01     1.987623346        0.9876233464    
FOB,PFOB,DIAG,PSTEP=    0.4672264764E-06    0.4730608254E-06     625.9945585       -0.7557113133E-09
J1,K1,R1,R2,RAT=  10  10   -0.1062073547E-01     2.010624710        0.9893792645    
FOB,PFOB,DIAG,PSTEP=    0.1721346634E-05    0.1703256829E-05     604.5029154       -0.2817609975E-08
J1,K1,R1,R2,RAT=  11  11   -0.7377133940E-02     2.007404614        0.9926228661    
FOB,PFOB,DIAG,PSTEP=   -0.1137299988E-05   -0.1128971529E-05     588.9700355        0.1916830991E-08
J1,K1,R1,R2,RAT= 109 109     1.998395481        0.1595524716E-02    0.9983954813    
FOB,PFOB,DIAG,PSTEP=   -0.7828923859E-04    0.7841435119E-04     13.77036625       -0.5694453029E-05
J1,K1,R1,R2,RAT= 110 110   -0.3512563938         29.94404168        0.6487436062    
FOB,PFOB,DIAG,PSTEP=   -0.1861613004E-02   -0.1818444359E-02     12.28978173        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3464302553         92.54849249        0.6535697447    
FOB,PFOB,DIAG,PSTEP=    0.4591185407E-02    0.4556941867E-02     9.884685345       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8144663251         16.94455348        0.1855336749    
FOB,PFOB,DIAG,PSTEP=    0.8463291264E-03    0.7687002278E-03     9.531259446       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8476741894         317.6326251        0.1523258106    
FOB,PFOB,DIAG,PSTEP=   -0.1491191040E-01   -0.1483253066E-01     7.485948709        0.1250932458E-04
J1,K1,R1,R2,RAT= 114 114    0.9964855157        -568.7429709        0.3514484268E-02
FOB,PFOB,DIAG,PSTEP=   -0.5192020681       -0.5173858788         4.556486848       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
    -0.00002      0.00001      0.00001      0.00002      0.00000      0.00002 
     0.00002      0.00003     -0.00002     -0.00001     -0.00000      0.00002 
     0.00000     -0.00001      0.00000     -0.00002     -0.00000      0.00004 
     0.00002     -0.00003     -0.00005      0.00003     -0.00006      0.00000 
     0.00002     -0.00002      0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004      0.00002     -0.00004      0.00000      0.00005     -0.00002 
    -0.00000      0.00005     -0.00004      0.00004      0.00003     -0.00001 
     0.00004      0.00003     -0.00010      0.00012     -0.00000      0.00009 
    -0.00002      0.00006      0.00005      0.00001      0.00012     -0.00003 
    -0.00008     -0.00186      0.00459      0.00085     -0.01491     -0.51920 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4349993873
 Log product of positive Hessian eigenvalues =          520.0783186217
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5564868484
 Unscaled step for mode    7=        0.0000000030
 Unscaled step for mode    8=        0.0000000048
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000015
 Unscaled step for mode   13=        0.0000000051
 Unscaled step for mode   14=        0.0000000088
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000091
 Unscaled step for mode   17=       -0.0000000077
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000308
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000108
 Unscaled step for mode   23=        0.0000000013
 Unscaled step for mode   24=       -0.0000000007
 Unscaled step for mode   25=        0.0000000454
 Unscaled step for mode   26=        0.0000000787
 Unscaled step for mode   27=        0.0000000407
 Unscaled step for mode   28=       -0.0000000169
 Unscaled step for mode   29=       -0.0000000074
 Unscaled step for mode   30=        0.0000000700
 Unscaled step for mode   31=        0.0000000284
 Unscaled step for mode   32=        0.0000000134
 Unscaled step for mode   33=       -0.0000000321
 Unscaled step for mode   34=       -0.0000000225
 Unscaled step for mode   35=       -0.0000000828
 Unscaled step for mode   36=       -0.0000000415
 Unscaled step for mode   37=        0.0000000512
 Unscaled step for mode   38=        0.0000000131
 Unscaled step for mode   39=        0.0000000673
 Unscaled step for mode   40=       -0.0000000261
 Unscaled step for mode   41=        0.0000001108
 Unscaled step for mode   42=        0.0000000332
 Unscaled step for mode   43=       -0.0000000372
 Unscaled step for mode   44=        0.0000000727
 Unscaled step for mode   45=       -0.0000000096
 Unscaled step for mode   46=       -0.0000000774
 Unscaled step for mode   47=        0.0000001312
 Unscaled step for mode   48=       -0.0000000120
 Unscaled step for mode   49=        0.0000000929
 Unscaled step for mode   50=        0.0000000461
 Unscaled step for mode   51=        0.0000000645
 Unscaled step for mode   52=        0.0000000065
 Unscaled step for mode   53=       -0.0000000577
 Unscaled step for mode   54=       -0.0000000640
 Unscaled step for mode   55=        0.0000001100
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=       -0.0000000381
 Unscaled step for mode   58=       -0.0000001248
 Unscaled step for mode   59=       -0.0000000255
 Unscaled step for mode   60=       -0.0000001229
 Unscaled step for mode   61=       -0.0000001272
 Unscaled step for mode   62=       -0.0000002255
 Unscaled step for mode   63=        0.0000001633
 Unscaled step for mode   64=        0.0000001141
 Unscaled step for mode   65=        0.0000000185
 Unscaled step for mode   66=       -0.0000001984
 Unscaled step for mode   67=       -0.0000000303
 Unscaled step for mode   68=        0.0000000672
 Unscaled step for mode   69=       -0.0000000296
 Unscaled step for mode   70=        0.0000001725
 Unscaled step for mode   71=        0.0000000327
 Unscaled step for mode   72=       -0.0000003914
 Unscaled step for mode   73=       -0.0000002010
 Unscaled step for mode   74=        0.0000002972
 Unscaled step for mode   75=        0.0000004664
 Unscaled step for mode   76=       -0.0000002952
 Unscaled step for mode   77=        0.0000006554
 Unscaled step for mode   78=       -0.0000000056
 Unscaled step for mode   79=       -0.0000002281
 Unscaled step for mode   80=        0.0000002131
 Unscaled step for mode   81=       -0.0000002189
 Unscaled step for mode   82=        0.0000001028
 Unscaled step for mode   83=        0.0000001730
 Unscaled step for mode   84=        0.0000003958
 Unscaled step for mode   85=        0.0000005460
 Unscaled step for mode   86=       -0.0000002491
 Unscaled step for mode   87=        0.0000005307
 Unscaled step for mode   88=       -0.0000000084
 Unscaled step for mode   89=       -0.0000007625
 Unscaled step for mode   90=        0.0000003809
 Unscaled step for mode   91=        0.0000000082
 Unscaled step for mode   92=       -0.0000009816
 Unscaled step for mode   93=        0.0000007067
 Unscaled step for mode   94=       -0.0000007045
 Unscaled step for mode   95=       -0.0000006245
 Unscaled step for mode   96=        0.0000002271
 Unscaled step for mode   97=       -0.0000008225
 Unscaled step for mode   98=       -0.0000007554
 Unscaled step for mode   99=        0.0000026842
 Unscaled step for mode  100=       -0.0000032230
 Unscaled step for mode  101=        0.0000000654
 Unscaled step for mode  102=       -0.0000029526
 Unscaled step for mode  103=        0.0000006186
 Unscaled step for mode  104=       -0.0000020849
 Unscaled step for mode  105=       -0.0000019745
 Unscaled step for mode  106=       -0.0000002523
 Unscaled step for mode  107=       -0.0000061752
 Unscaled step for mode  108=        0.0000019903
 Unscaled step for mode  109=        0.0000056853
 Unscaled step for mode  110=        0.0001514765
 Unscaled step for mode  111=       -0.0004644745
 Unscaled step for mode  112=       -0.0000887951
 Unscaled step for mode  113=        0.0019919788
 Unscaled step for mode  114=       -0.1125055948
 Largest modulus ratio of non-zero e/values=           159.9270746    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.331332E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.431296E-15    0.100731E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.132643E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.356919E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.453197E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.242211E-15    0.973768E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.218758E-05    0.728706E+03  0.300201E-08 0.100000E-04    0.988266E+00
   8   -0.324035E-05    0.672819E+03  0.481608E-08 0.100000E-04    0.999170E+00
   9    0.467226E-06    0.625995E+03 -0.746375E-09 0.100000E-04    0.987623E+00
  10    0.172135E-05    0.604503E+03 -0.284754E-08 0.100000E-04    0.989379E+00
  11   -0.113730E-05    0.588970E+03  0.193100E-08 0.100000E-04    0.992623E+00
  12    0.861704E-06    0.568246E+03 -0.151643E-08 0.100000E-04    0.973359E+00
  13   -0.288774E-05    0.566218E+03  0.510005E-08 0.100000E-04    0.999009E+00
  14   -0.423598E-05    0.481092E+03  0.880493E-08 0.100000E-04    0.995810E+00
  15    0.178300E-05    0.466813E+03 -0.381951E-08 0.100000E-04    0.994360E+00
  16    0.422469E-05    0.461872E+03 -0.914689E-08 0.100000E-04    0.992405E+00
  17    0.339837E-05    0.441334E+03 -0.770023E-08 0.100000E-04    0.989476E+00
  18    0.462990E-05    0.430279E+03 -0.107602E-07 0.100000E-04    0.997950E+00
  19   -0.129774E-04    0.421453E+03  0.307921E-07 0.100000E-04    0.995866E+00
  20    0.868346E-05    0.407304E+03 -0.213194E-07 0.100000E-04    0.998678E+00
  21    0.719476E-05    0.397765E+03 -0.180880E-07 0.100000E-04    0.997612E+00
  22   -0.419408E-05    0.388832E+03  0.107863E-07 0.100000E-04    0.990510E+00
  23   -0.464093E-06    0.367437E+03  0.126306E-08 0.100000E-04    0.991718E+00
  24    0.254175E-06    0.362437E+03 -0.701295E-09 0.100000E-04    0.944722E+00
  25   -0.159484E-04    0.351407E+03  0.453844E-07 0.100000E-04    0.996557E+00
  26   -0.266043E-04    0.338041E+03  0.787014E-07 0.100000E-04    0.996309E+00
  27   -0.132334E-04    0.325135E+03  0.407012E-07 0.100000E-04    0.996473E+00
  28    0.544696E-05    0.321574E+03 -0.169384E-07 0.100000E-04    0.977618E+00
  29    0.235758E-05    0.319561E+03 -0.737756E-08 0.100000E-04    0.971662E+00
  30   -0.220309E-04    0.314706E+03  0.700046E-07 0.100000E-04    0.998499E+00
  31   -0.863837E-05    0.304685E+03  0.283518E-07 0.100000E-04    0.994697E+00
  32   -0.384565E-05    0.287987E+03  0.133535E-07 0.100000E-04    0.992645E+00
  33    0.897514E-05    0.279192E+03 -0.321468E-07 0.100000E-04    0.994289E+00
  34    0.609316E-05    0.270767E+03 -0.225033E-07 0.100000E-04    0.990309E+00
  35    0.220475E-04    0.266246E+03 -0.828085E-07 0.100000E-04    0.999299E+00
  36    0.109274E-04    0.263569E+03 -0.414595E-07 0.100000E-04    0.992651E+00
  37   -0.132474E-04    0.258680E+03  0.512116E-07 0.100000E-04    0.995096E+00
  38   -0.331149E-05    0.253741E+03  0.130507E-07 0.100000E-04    0.994484E+00
  39   -0.163241E-04    0.242623E+03  0.672818E-07 0.100000E-04    0.997111E+00
  40    0.620419E-05    0.237760E+03 -0.260944E-07 0.100000E-04    0.970350E+00
  41   -0.261224E-04    0.235689E+03  0.110834E-06 0.100000E-04    0.992432E+00
  42   -0.758951E-05    0.228694E+03  0.331864E-07 0.100000E-04    0.996350E+00
  43    0.825359E-05    0.221737E+03 -0.372224E-07 0.100000E-04    0.994707E+00
  44   -0.155067E-04    0.213180E+03  0.727401E-07 0.100000E-04    0.995458E+00
  45    0.203018E-05    0.211890E+03 -0.958127E-08 0.100000E-04    0.995191E+00
  46    0.161011E-04    0.207998E+03 -0.774098E-07 0.100000E-04    0.995170E+00
  47   -0.266794E-04    0.203370E+03  0.131187E-06 0.100000E-04    0.998342E+00
  48    0.238020E-05    0.197926E+03 -0.120257E-07 0.100000E-04    0.988430E+00
  49   -0.181506E-04    0.195474E+03  0.928544E-07 0.100000E-04    0.996936E+00
  50   -0.882472E-05    0.191594E+03  0.460596E-07 0.100000E-04    0.990953E+00
  51   -0.119447E-04    0.185062E+03  0.645443E-07 0.100000E-04    0.997188E+00
  52   -0.114196E-05    0.176013E+03  0.648791E-08 0.100000E-04    0.987956E+00
  53    0.988169E-05    0.171385E+03 -0.576577E-07 0.100000E-04    0.995860E+00
  54    0.107295E-04    0.167645E+03 -0.640014E-07 0.100000E-04    0.993984E+00
  55   -0.181988E-04    0.165448E+03  0.109997E-06 0.100000E-04    0.998525E+00
  56    0.588843E-05    0.159723E+03 -0.368664E-07 0.100000E-04    0.997864E+00
  57    0.584592E-05    0.153623E+03 -0.380537E-07 0.100000E-04    0.990233E+00
  58    0.188422E-04    0.151008E+03 -0.124776E-06 0.100000E-04    0.995421E+00
  59    0.380535E-05    0.149101E+03 -0.255219E-07 0.100000E-04    0.979404E+00
  60    0.175872E-04    0.143078E+03 -0.122921E-06 0.100000E-04    0.997250E+00
  61    0.174296E-04    0.136985E+03 -0.127237E-06 0.100000E-04    0.991092E+00
  62    0.305572E-04    0.135501E+03 -0.225513E-06 0.100000E-04    0.998215E+00
  63   -0.213605E-04    0.130799E+03  0.163309E-06 0.100000E-04    0.995488E+00
  64   -0.145791E-04    0.127763E+03  0.114110E-06 0.100000E-04    0.991027E+00
  65   -0.233268E-05    0.126061E+03  0.185044E-07 0.100000E-04    0.939852E+00
  66    0.248921E-04    0.125465E+03 -0.198399E-06 0.100000E-04    0.996981E+00
  67    0.362382E-05    0.119596E+03 -0.303004E-07 0.100000E-04    0.999484E+00
  68   -0.793309E-05    0.117998E+03  0.672305E-07 0.100000E-04    0.996054E+00
  69    0.345520E-05    0.116871E+03 -0.295644E-07 0.100000E-04    0.985283E+00
  70   -0.192341E-04    0.111519E+03  0.172473E-06 0.100000E-04    0.998109E+00
  71   -0.354996E-05    0.108633E+03  0.326786E-07 0.100000E-04    0.994037E+00
  72    0.410944E-04    0.105003E+03 -0.391366E-06 0.100000E-04    0.993831E+00
  73    0.206984E-04    0.103000E+03 -0.200955E-06 0.100000E-04    0.995148E+00
  74   -0.296984E-04    0.999271E+02  0.297201E-06 0.100000E-04    0.997976E+00
  75   -0.450069E-04    0.964989E+02  0.466398E-06 0.100000E-04    0.992872E+00
  76    0.280773E-04    0.951131E+02 -0.295199E-06 0.100000E-04    0.998200E+00
  77   -0.602719E-04    0.919617E+02  0.655402E-06 0.100000E-04    0.998425E+00
  78    0.510809E-06    0.904538E+02 -0.564718E-08 0.100000E-04    0.921162E+00
  79    0.204623E-04    0.897064E+02 -0.228103E-06 0.100000E-04    0.993968E+00
  80   -0.180679E-04    0.847727E+02  0.213134E-06 0.100000E-04    0.996963E+00
  81    0.177110E-04    0.809125E+02 -0.218890E-06 0.100000E-04    0.996597E+00
  82   -0.818492E-05    0.796087E+02  0.102814E-06 0.100000E-04    0.991726E+00
  83   -0.135639E-04    0.784002E+02  0.173008E-06 0.100000E-04    0.999676E+00
  84   -0.287855E-04    0.727295E+02  0.395788E-06 0.100000E-04    0.993113E+00
  85   -0.392401E-04    0.718695E+02  0.545992E-06 0.100000E-04    0.994700E+00
  86    0.170162E-04    0.683102E+02 -0.249101E-06 0.100000E-04    0.981480E+00
  87   -0.358260E-04    0.675022E+02  0.530739E-06 0.100000E-04    0.993689E+00
  88    0.532596E-06    0.633602E+02 -0.840584E-08 0.100000E-04    0.994971E+00
  89    0.464294E-04    0.608923E+02 -0.762484E-06 0.100000E-04    0.995908E+00
  90   -0.227307E-04    0.596693E+02  0.380945E-06 0.100000E-04    0.991174E+00
  91   -0.483085E-06    0.589771E+02  0.819106E-08 0.100000E-04    0.958076E+00
  92    0.549371E-04    0.559668E+02 -0.981601E-06 0.100000E-04    0.998213E+00
  93   -0.375170E-04    0.530853E+02  0.706731E-06 0.100000E-04    0.999622E+00
  94    0.368001E-04    0.522330E+02 -0.704537E-06 0.100000E-04    0.994570E+00
  95    0.313383E-04    0.501820E+02 -0.624492E-06 0.100000E-04    0.999802E+00
  96   -0.108566E-04    0.478073E+02  0.227092E-06 0.100000E-04    0.993859E+00
  97    0.353923E-04    0.430309E+02 -0.822485E-06 0.100000E-04    0.993069E+00
  98    0.303675E-04    0.401993E+02 -0.755423E-06 0.100000E-04    0.993723E+00
  99   -0.996155E-04    0.371111E+02  0.268425E-05 0.100000E-04    0.993385E+00
 100    0.115480E-03    0.358302E+02 -0.322298E-05 0.100000E-04    0.999282E+00
 101   -0.232045E-05    0.354845E+02  0.653931E-07 0.100000E-04    0.782334E+00
 102    0.852109E-04    0.288593E+02 -0.295263E-05 0.100000E-04    0.995054E+00
 103   -0.177702E-04    0.287286E+02  0.618556E-06 0.100000E-04    0.980088E+00
 104    0.586524E-04    0.281325E+02 -0.208486E-05 0.100000E-04    0.991591E+00
 105    0.452579E-04    0.229212E+02 -0.197450E-05 0.100000E-04    0.995513E+00
 106    0.549687E-05    0.217891E+02 -0.252276E-06 0.100000E-04    0.879580E+00
 107    0.123691E-03    0.200302E+02 -0.617524E-05 0.100000E-04    0.999488E+00
 108   -0.334833E-04    0.168234E+02  0.199028E-05 0.100000E-04    0.978559E+00
 109   -0.782892E-04    0.137704E+02  0.568534E-05 0.100000E-04    0.998395E+00
 110   -0.186161E-02    0.122898E+02  0.100000E-04 0.100000E-04    0.648744E+00
 111    0.459119E-02    0.988469E+01 -0.100000E-04 0.100000E-04    0.653570E+00
 112    0.846329E-03    0.953126E+01 -0.109000E-04 0.109000E-04    0.185534E+00
 113   -0.149119E-01    0.748595E+01  0.136352E-04 0.136352E-04    0.152326E+00
 114   -0.519202E+00    0.455649E+01 -0.400000E-03 0.400000E-03    0.351448E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1125055948    

 Beginning of optimization cycle  254.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3743128343
 potential> RMS force:                                               0.0488201987   |gradient|=.5212570822    
 Eigenvalues of the Hessian matrix:
   728.76664    672.83073    626.00827    604.50161    588.96188    568.28675 
   566.23142    481.11459    466.78967    461.86377    441.33399    430.27121 
   421.45899    407.31296    397.76089    388.83309    367.44190    362.42753 
   351.39962    338.01149    325.14361    321.57200    319.57343    314.67791 
   304.67739    287.99394    279.18674    270.76449    266.25357    263.57897 
   258.68970    253.74388    242.61733    237.75721    235.68929    228.69268 
   221.71716    213.18719    211.89490    207.98688    203.37259    197.92147 
   195.47211    191.59326    185.05217    175.99977    171.39144    167.64188 
   165.44468    159.71501    153.62628    151.01071    149.09846    143.08074 
   136.98599    135.50569    130.79687    127.76582    126.06091    125.46845 
   119.59827    117.99908    116.87285    111.51256    108.62185    104.99915 
   103.00205     99.92447     96.49053     95.11227     91.97360     90.45016 
    89.71213     84.77539     80.91275     79.61164     78.39859     72.72918 
    71.87351     68.30937     67.49175     63.35930     60.88212     59.66987 
    58.97893     55.96804     53.08095     52.23338     50.18058     47.80479 
    43.02810     40.20160     37.11435     35.83578     35.47445     28.85855 
    28.72793     28.12421     22.92072     21.78534     20.03489     16.82352 
    13.77044     12.28889      9.88063      9.52595      7.48317      4.55294 
overlap for current and previous eigenvector    109 is        -0.9999993919
overlap for current and previous eigenvector    110 is        -0.9999992889
overlap for current and previous eigenvector    111 is        -0.9998308946
overlap for current and previous eigenvector    112 is        -0.9998289608
overlap for current and previous eigenvector    113 is         0.9999963415
overlap for current and previous eigenvector    114 is         0.9999996542
J1,K1,R1,R2,RAT=   7   7   -0.9774994997E-02     2.009607520        0.9902250050    
FOB,PFOB,DIAG,PSTEP=   -0.2208968431E-05   -0.2187583027E-05     728.7666375        0.3002012048E-08
J1,K1,R1,R2,RAT=   8   8   -0.9592150954E-02     2.009557438        0.9904078490    
FOB,PFOB,DIAG,PSTEP=   -0.3271431748E-05   -0.3240349289E-05     672.8307325        0.4816078359E-08
J1,K1,R1,R2,RAT=   9   9    0.3643599436E-01     1.963520203        0.9635202029    
FOB,PFOB,DIAG,PSTEP=    0.4502022423E-06    0.4672264764E-06     626.0082689       -0.7463746610E-09
J1,K1,R1,R2,RAT=  10  10    0.5185214550E-02     1.994819112        0.9948147854    
FOB,PFOB,DIAG,PSTEP=    0.1712421101E-05    0.1721346634E-05     604.5016076       -0.2847540665E-08
J1,K1,R1,R2,RAT=  11  11    0.1060316711E-01     1.989424534        0.9893968329    
FOB,PFOB,DIAG,PSTEP=   -0.1125241174E-05   -0.1137299988E-05     588.9618781        0.1930998047E-08
J1,K1,R1,R2,RAT= 109 109     2.005536173       -0.5546270652E-02    0.9944537293    
FOB,PFOB,DIAG,PSTEP=    0.7872345409E-04   -0.7828923859E-04     13.77043578        0.5685341781E-05
J1,K1,R1,R2,RAT= 110 110     30.64515200       -0.3476560491        0.6523439509    
FOB,PFOB,DIAG,PSTEP=    0.1904336074E-02   -0.1861613004E-02     12.28889019        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     93.27847304       -0.3453760822        0.6546239178    
FOB,PFOB,DIAG,PSTEP=   -0.4625310723E-02    0.4591185407E-02     9.880625004       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     17.01530255       -0.7135422501        0.2864577499    
FOB,PFOB,DIAG,PSTEP=   -0.9204182527E-03    0.8463291264E-03     9.525949659       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7242314908         293.0164741        0.2757685092    
FOB,PFOB,DIAG,PSTEP=   -0.1498580682E-01   -0.1491191040E-01     7.483170365        0.1363516379E-04
J1,K1,R1,R2,RAT= 114 114    0.9964113404        -571.1803110        0.3588659583E-02
FOB,PFOB,DIAG,PSTEP=   -0.5210167066       -0.5192020681         4.552935188       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001      0.00001      0.00002      0.00000      0.00002 
     0.00002      0.00003     -0.00002     -0.00001     -0.00000      0.00002 
     0.00000     -0.00001      0.00000      0.00002      0.00000      0.00004 
     0.00002     -0.00003     -0.00005      0.00003      0.00006      0.00000 
     0.00002     -0.00002      0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004     -0.00002      0.00004      0.00000      0.00005      0.00002 
    -0.00000     -0.00006      0.00004     -0.00004      0.00003     -0.00001 
     0.00004      0.00003     -0.00010      0.00012     -0.00000      0.00009 
    -0.00002      0.00006      0.00005      0.00001      0.00012     -0.00003 
     0.00008      0.00190     -0.00463     -0.00092     -0.01499     -0.52102 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4349091971
 Log product of positive Hessian eigenvalues =          520.0752589160
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5529351882
 Unscaled step for mode    7=        0.0000000030
 Unscaled step for mode    8=        0.0000000049
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000014
 Unscaled step for mode   13=        0.0000000051
 Unscaled step for mode   14=        0.0000000087
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000092
 Unscaled step for mode   17=       -0.0000000077
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000309
 Unscaled step for mode   20=       -0.0000000212
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000109
 Unscaled step for mode   23=        0.0000000011
 Unscaled step for mode   24=       -0.0000000006
 Unscaled step for mode   25=        0.0000000455
 Unscaled step for mode   26=        0.0000000790
 Unscaled step for mode   27=        0.0000000408
 Unscaled step for mode   28=       -0.0000000172
 Unscaled step for mode   29=       -0.0000000075
 Unscaled step for mode   30=        0.0000000703
 Unscaled step for mode   31=        0.0000000286
 Unscaled step for mode   32=        0.0000000135
 Unscaled step for mode   33=       -0.0000000323
 Unscaled step for mode   34=       -0.0000000227
 Unscaled step for mode   35=       -0.0000000831
 Unscaled step for mode   36=       -0.0000000419
 Unscaled step for mode   37=        0.0000000514
 Unscaled step for mode   38=        0.0000000130
 Unscaled step for mode   39=        0.0000000674
 Unscaled step for mode   40=       -0.0000000253
 Unscaled step for mode   41=        0.0000001119
 Unscaled step for mode   42=        0.0000000336
 Unscaled step for mode   43=       -0.0000000376
 Unscaled step for mode   44=        0.0000000735
 Unscaled step for mode   45=       -0.0000000094
 Unscaled step for mode   46=       -0.0000000779
 Unscaled step for mode   47=        0.0000001317
 Unscaled step for mode   48=       -0.0000000121
 Unscaled step for mode   49=        0.0000000934
 Unscaled step for mode   50=        0.0000000458
 Unscaled step for mode   51=        0.0000000649
 Unscaled step for mode   52=        0.0000000066
 Unscaled step for mode   53=        0.0000000577
 Unscaled step for mode   54=       -0.0000000645
 Unscaled step for mode   55=       -0.0000001103
 Unscaled step for mode   56=       -0.0000000371
 Unscaled step for mode   57=       -0.0000000381
 Unscaled step for mode   58=       -0.0000001253
 Unscaled step for mode   59=       -0.0000000250
 Unscaled step for mode   60=       -0.0000001232
 Unscaled step for mode   61=       -0.0000001277
 Unscaled step for mode   62=       -0.0000002256
 Unscaled step for mode   63=        0.0000001632
 Unscaled step for mode   64=        0.0000001150
 Unscaled step for mode   65=        0.0000000190
 Unscaled step for mode   66=       -0.0000001986
 Unscaled step for mode   67=       -0.0000000310
 Unscaled step for mode   68=        0.0000000673
 Unscaled step for mode   69=       -0.0000000296
 Unscaled step for mode   70=       -0.0000001738
 Unscaled step for mode   71=       -0.0000000332
 Unscaled step for mode   72=       -0.0000003932
 Unscaled step for mode   73=       -0.0000002018
 Unscaled step for mode   74=        0.0000002970
 Unscaled step for mode   75=        0.0000004696
 Unscaled step for mode   76=       -0.0000002947
 Unscaled step for mode   77=       -0.0000006557
 Unscaled step for mode   78=       -0.0000000049
 Unscaled step for mode   79=       -0.0000002260
 Unscaled step for mode   80=        0.0000002135
 Unscaled step for mode   81=       -0.0000002197
 Unscaled step for mode   82=        0.0000001009
 Unscaled step for mode   83=        0.0000001734
 Unscaled step for mode   84=        0.0000003969
 Unscaled step for mode   85=        0.0000005457
 Unscaled step for mode   86=        0.0000002438
 Unscaled step for mode   87=       -0.0000005328
 Unscaled step for mode   88=       -0.0000000103
 Unscaled step for mode   89=       -0.0000007634
 Unscaled step for mode   90=       -0.0000003810
 Unscaled step for mode   91=        0.0000000079
 Unscaled step for mode   92=        0.0000009833
 Unscaled step for mode   93=       -0.0000007050
 Unscaled step for mode   94=        0.0000007069
 Unscaled step for mode   95=       -0.0000006227
 Unscaled step for mode   96=        0.0000002277
 Unscaled step for mode   97=       -0.0000008204
 Unscaled step for mode   98=       -0.0000007577
 Unscaled step for mode   99=        0.0000026884
 Unscaled step for mode  100=       -0.0000032131
 Unscaled step for mode  101=        0.0000000701
 Unscaled step for mode  102=       -0.0000029596
 Unscaled step for mode  103=        0.0000006000
 Unscaled step for mode  104=       -0.0000021003
 Unscaled step for mode  105=       -0.0000019739
 Unscaled step for mode  106=       -0.0000002420
 Unscaled step for mode  107=       -0.0000061420
 Unscaled step for mode  108=        0.0000019897
 Unscaled step for mode  109=       -0.0000057168
 Unscaled step for mode  110=       -0.0001549640
 Unscaled step for mode  111=        0.0004681191
 Unscaled step for mode  112=        0.0000966222
 Unscaled step for mode  113=        0.0020025933
 Unscaled step for mode  114=       -0.1129747719
 Largest modulus ratio of non-zero e/values=           160.0652343    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.559448E-16    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.342608E-16    0.100731E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.607899E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.647046E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.101568E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.708472E-15    0.973770E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.220897E-05    0.728767E+03  0.303111E-08 0.100000E-04    0.990225E+00
   8   -0.327143E-05    0.672831E+03  0.486219E-08 0.100000E-04    0.990408E+00
   9    0.450202E-06    0.626008E+03 -0.719163E-09 0.100000E-04    0.963520E+00
  10    0.171242E-05    0.604502E+03 -0.283278E-08 0.100000E-04    0.994815E+00
  11   -0.112524E-05    0.588962E+03  0.191055E-08 0.100000E-04    0.989397E+00
  12    0.794451E-06    0.568287E+03 -0.139798E-08 0.100000E-04    0.921816E+00
  13   -0.290218E-05    0.566231E+03  0.512542E-08 0.100000E-04    0.995002E+00
  14   -0.419844E-05    0.481115E+03  0.872649E-08 0.100000E-04    0.991043E+00
  15    0.177900E-05    0.466790E+03 -0.381115E-08 0.100000E-04    0.997761E+00
  16    0.424084E-05    0.461864E+03 -0.918202E-08 0.100000E-04    0.996177E+00
  17    0.338817E-05    0.441334E+03 -0.767711E-08 0.100000E-04    0.996997E+00
  18    0.461182E-05    0.430271E+03 -0.107184E-07 0.100000E-04    0.996095E+00
  19   -0.130081E-04    0.421459E+03  0.308644E-07 0.100000E-04    0.997637E+00
  20    0.864588E-05    0.407313E+03 -0.212266E-07 0.100000E-04    0.995626E+00
  21    0.718529E-05    0.397761E+03 -0.180644E-07 0.100000E-04    0.998684E+00
  22   -0.424832E-05    0.388833E+03  0.109258E-07 0.100000E-04    0.987067E+00
  23   -0.422406E-06    0.367442E+03  0.114958E-08 0.100000E-04    0.910147E+00
  24    0.211380E-06    0.362428E+03 -0.583234E-09 0.100000E-04    0.831627E+00
  25   -0.159892E-04    0.351400E+03  0.455015E-07 0.100000E-04    0.997442E+00
  26   -0.266970E-04    0.338011E+03  0.789826E-07 0.100000E-04    0.996514E+00
  27   -0.132786E-04    0.325144E+03  0.408393E-07 0.100000E-04    0.996582E+00
  28    0.554628E-05    0.321572E+03 -0.172474E-07 0.100000E-04    0.981765E+00
  29    0.240922E-05    0.319573E+03 -0.753887E-08 0.100000E-04    0.978097E+00
  30   -0.221134E-04    0.314678E+03  0.702731E-07 0.100000E-04    0.996256E+00
  31   -0.871969E-05    0.304677E+03  0.286194E-07 0.100000E-04    0.990586E+00
  32   -0.389812E-05    0.287994E+03  0.135354E-07 0.100000E-04    0.986357E+00
  33    0.900825E-05    0.279187E+03 -0.322660E-07 0.100000E-04    0.996310E+00
  34    0.613313E-05    0.270764E+03 -0.226512E-07 0.100000E-04    0.993440E+00
  35    0.221192E-04    0.266254E+03 -0.830756E-07 0.100000E-04    0.996748E+00
  36    0.110373E-04    0.263579E+03 -0.418748E-07 0.100000E-04    0.989944E+00
  37   -0.133034E-04    0.258690E+03  0.514263E-07 0.100000E-04    0.995771E+00
  38   -0.329007E-05    0.253744E+03  0.129661E-07 0.100000E-04    0.993509E+00
  39   -0.163599E-04    0.242617E+03  0.674307E-07 0.100000E-04    0.997809E+00
  40    0.602016E-05    0.237757E+03 -0.253206E-07 0.100000E-04    0.970337E+00
  41   -0.263802E-04    0.235689E+03  0.111928E-06 0.100000E-04    0.990128E+00
  42   -0.767626E-05    0.228693E+03  0.335658E-07 0.100000E-04    0.988570E+00
  43    0.833949E-05    0.221717E+03 -0.376132E-07 0.100000E-04    0.989592E+00
  44   -0.156697E-04    0.213187E+03  0.735021E-07 0.100000E-04    0.989490E+00
  45    0.199297E-05    0.211895E+03 -0.940546E-08 0.100000E-04    0.981628E+00
  46    0.162067E-04    0.207987E+03 -0.779219E-07 0.100000E-04    0.993437E+00
  47   -0.267824E-04    0.203373E+03  0.131691E-06 0.100000E-04    0.996142E+00
  48    0.239993E-05    0.197921E+03 -0.121257E-07 0.100000E-04    0.991708E+00
  49   -0.182569E-04    0.195472E+03  0.933989E-07 0.100000E-04    0.994145E+00
  50   -0.877754E-05    0.191593E+03  0.458134E-07 0.100000E-04    0.994653E+00
  51   -0.120013E-04    0.185052E+03  0.648536E-07 0.100000E-04    0.995263E+00
  52   -0.116690E-05    0.176000E+03  0.663010E-08 0.100000E-04    0.978158E+00
  53   -0.989532E-05    0.171391E+03  0.577352E-07 0.100000E-04    0.998620E+00
  54    0.108074E-04    0.167642E+03 -0.644672E-07 0.100000E-04    0.992738E+00
  55    0.182444E-04    0.165445E+03 -0.110275E-06 0.100000E-04    0.997497E+00
  56    0.592478E-05    0.159715E+03 -0.370960E-07 0.100000E-04    0.993826E+00
  57    0.585702E-05    0.153626E+03 -0.381251E-07 0.100000E-04    0.998101E+00
  58    0.189157E-04    0.151011E+03 -0.125261E-06 0.100000E-04    0.996099E+00
  59    0.373457E-05    0.149098E+03 -0.250477E-07 0.100000E-04    0.981400E+00
  60    0.176287E-04    0.143081E+03 -0.123208E-06 0.100000E-04    0.997645E+00
  61    0.174892E-04    0.136986E+03 -0.127672E-06 0.100000E-04    0.996581E+00
  62    0.305697E-04    0.135506E+03 -0.225597E-06 0.100000E-04    0.999593E+00
  63   -0.213485E-04    0.130797E+03  0.163218E-06 0.100000E-04    0.999434E+00
  64   -0.146920E-04    0.127766E+03  0.114992E-06 0.100000E-04    0.992254E+00
  65   -0.239566E-05    0.126061E+03  0.190040E-07 0.100000E-04    0.973004E+00
  66    0.249178E-04    0.125468E+03 -0.198599E-06 0.100000E-04    0.998965E+00
  67    0.370297E-05    0.119598E+03 -0.309617E-07 0.100000E-04    0.978157E+00
  68   -0.794232E-05    0.117999E+03  0.673083E-07 0.100000E-04    0.998837E+00
  69    0.346262E-05    0.116873E+03 -0.296272E-07 0.100000E-04    0.997855E+00
  70    0.193827E-04    0.111513E+03 -0.173816E-06 0.100000E-04    0.992277E+00
  71    0.360224E-05    0.108622E+03 -0.331631E-07 0.100000E-04    0.985273E+00
  72    0.412807E-04    0.104999E+03 -0.393153E-06 0.100000E-04    0.995467E+00
  73    0.207828E-04    0.103002E+03 -0.201771E-06 0.100000E-04    0.995924E+00
  74   -0.296799E-04    0.999245E+02  0.297023E-06 0.100000E-04    0.999374E+00
  75   -0.453167E-04    0.964905E+02  0.469649E-06 0.100000E-04    0.993116E+00
  76    0.280255E-04    0.951123E+02 -0.294657E-06 0.100000E-04    0.998156E+00
  77    0.603033E-04    0.919736E+02 -0.655659E-06 0.100000E-04    0.999478E+00
  78    0.446333E-06    0.904502E+02 -0.493458E-08 0.100000E-04    0.873772E+00
  79    0.202749E-04    0.897121E+02 -0.226000E-06 0.100000E-04    0.990716E+00
  80   -0.181021E-04    0.847754E+02  0.213531E-06 0.100000E-04    0.998106E+00
  81    0.177799E-04    0.809127E+02 -0.219742E-06 0.100000E-04    0.996106E+00
  82   -0.803174E-05    0.796116E+02  0.100886E-06 0.100000E-04    0.981213E+00
  83   -0.135963E-04    0.783986E+02  0.173425E-06 0.100000E-04    0.997611E+00
  84   -0.288683E-04    0.727292E+02  0.396929E-06 0.100000E-04    0.997122E+00
  85   -0.392230E-04    0.718735E+02  0.545722E-06 0.100000E-04    0.999450E+00
  86   -0.166550E-04    0.683094E+02  0.243817E-06 0.100000E-04    0.978774E+00
  87    0.359614E-04    0.674917E+02 -0.532827E-06 0.100000E-04    0.996221E+00
  88    0.653613E-06    0.633593E+02 -0.103160E-07 0.100000E-04    0.772776E+00
  89    0.464751E-04    0.608821E+02 -0.763362E-06 0.100000E-04    0.999014E+00
  90    0.227316E-04    0.596699E+02 -0.380956E-06 0.100000E-04    0.999962E+00
  91   -0.465804E-06    0.589789E+02  0.789781E-08 0.100000E-04    0.964167E+00
  92   -0.550325E-04    0.559680E+02  0.983284E-06 0.100000E-04    0.998263E+00
  93    0.374236E-04    0.530810E+02 -0.705029E-06 0.100000E-04    0.997510E+00
  94   -0.369236E-04    0.522334E+02  0.706897E-06 0.100000E-04    0.996644E+00
  95    0.312481E-04    0.501806E+02 -0.622714E-06 0.100000E-04    0.997124E+00
  96   -0.108868E-04    0.478048E+02  0.227735E-06 0.100000E-04    0.997218E+00
  97    0.353012E-04    0.430281E+02 -0.820421E-06 0.100000E-04    0.997425E+00
  98    0.304617E-04    0.402016E+02 -0.757723E-06 0.100000E-04    0.996898E+00
  99   -0.997767E-04    0.371144E+02  0.268836E-05 0.100000E-04    0.998382E+00
 100    0.115145E-03    0.358358E+02 -0.321314E-05 0.100000E-04    0.996791E+00
 101   -0.248599E-05    0.354745E+02  0.700784E-07 0.100000E-04    0.928636E+00
 102    0.854100E-04    0.288586E+02 -0.295961E-05 0.100000E-04    0.997663E+00
 103   -0.172358E-04    0.287279E+02  0.599966E-06 0.100000E-04    0.969923E+00
 104    0.590683E-04    0.281242E+02 -0.210026E-05 0.100000E-04    0.992906E+00
 105    0.452426E-04    0.229207E+02 -0.197388E-05 0.100000E-04    0.999662E+00
 106    0.527221E-05    0.217853E+02 -0.242007E-06 0.100000E-04    0.959122E+00
 107    0.123054E-03    0.200349E+02 -0.614198E-05 0.100000E-04    0.994378E+00
 108   -0.334744E-04    0.168235E+02  0.198974E-05 0.100000E-04    0.999719E+00
 109    0.787235E-04    0.137704E+02 -0.571685E-05 0.100000E-04    0.994454E+00
 110    0.190434E-02    0.122889E+02 -0.100000E-04 0.100000E-04    0.652344E+00
 111   -0.462531E-02    0.988063E+01  0.100000E-04 0.100000E-04    0.654624E+00
 112   -0.920418E-03    0.952595E+01  0.100000E-04 0.100000E-04    0.286458E+00
 113   -0.149858E-01    0.748317E+01  0.122839E-04 0.122839E-04    0.275769E+00
 114   -0.521017E+00    0.455294E+01 -0.400000E-03 0.400000E-03    0.358866E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1129747719    

 Beginning of optimization cycle  255.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3741043214
 potential> RMS force:                                               0.0489902224   |gradient|=.5230724384    
 Eigenvalues of the Hessian matrix:
   728.82775    672.84239    626.02190    604.50021    588.95371    568.32740 
   566.24459    481.13750    466.76651    461.85550    441.33431    430.26291 
   421.46465    407.32242    397.75634    388.83399    367.44695    362.41815 
   351.39193    337.98215    325.15214    321.57043    319.58571    314.64945 
   304.66983    288.00056    279.18118    270.76203    266.26079    263.58864 
   258.69946    253.74654    242.61187    237.75514    235.68901    228.69164 
   221.69701    213.19435    211.89967    207.97613    203.37559    197.91699 
   195.47038    191.59282    185.04187    175.98669    171.39758    167.63908 
   165.44083    159.70678    153.62972    151.01321    149.09564    143.08344 
   136.98691    135.51068    130.79517    127.76854    126.06084    125.47233 
   119.60010    117.99990    116.87521    111.50569    108.61120    104.99580 
   103.00360     99.92185     96.48219     95.11141     91.98552     90.44657 
    89.71774     84.77808     80.91293     79.61451     78.39699     72.72896 
    71.87761     68.30857     67.48122     63.35834     60.87202     59.67048 
    58.98077     55.96927     53.07668     52.23378     50.17914     47.80230 
    43.02527     40.20391     37.11759     35.84138     35.46433     28.85779 
    28.72729     28.11591     22.92027     21.78152     20.03962     16.82366 
    13.77051     12.28802      9.87679      9.52038      7.48037      4.54937 
overlap for current and previous eigenvector    109 is         0.9999993944
overlap for current and previous eigenvector    110 is         0.9999992941
overlap for current and previous eigenvector    111 is         0.9998327395
overlap for current and previous eigenvector    112 is         0.9998306561
overlap for current and previous eigenvector    113 is         0.9999962910
overlap for current and previous eigenvector    114 is         0.9999996592
J1,K1,R1,R2,RAT=   7   7   -0.1198412189E-01     2.011816421        0.9880158781    
FOB,PFOB,DIAG,PSTEP=   -0.2235443198E-05   -0.2208968431E-05     728.8277500        0.3031105319E-08
J1,K1,R1,R2,RAT=   8   8   -0.1390320469E-02     2.001355664        0.9986096795    
FOB,PFOB,DIAG,PSTEP=   -0.3275980166E-05   -0.3271431748E-05     672.8423919        0.4862191321E-08
J1,K1,R1,R2,RAT=   9   9   -0.1289961030E-01     2.012856076        0.9871003897    
FOB,PFOB,DIAG,PSTEP=    0.4560098022E-06    0.4502022423E-06     626.0218955       -0.7191634115E-09
J1,K1,R1,R2,RAT=  10  10   -0.1005327239E-01     2.010057899        0.9899467276    
FOB,PFOB,DIAG,PSTEP=    0.1729636497E-05    0.1712421101E-05     604.5002092       -0.2832781716E-08
J1,K1,R1,R2,RAT=  11  11   -0.1763733047E-01     2.017665069        0.9823626695    
FOB,PFOB,DIAG,PSTEP=   -0.1145087149E-05   -0.1125241174E-05     588.9537098        0.1910550097E-08
J1,K1,R1,R2,RAT= 109 109    0.6364724425E-02     1.993624331        0.9936243309    
FOB,PFOB,DIAG,PSTEP=    0.7822239826E-04    0.7872345409E-04     13.77051114       -0.5716845519E-05
J1,K1,R1,R2,RAT= 110 110   -0.3604898010         31.35550225        0.6395101990    
FOB,PFOB,DIAG,PSTEP=    0.1948633119E-02    0.1904336074E-02     12.28801619       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2909135053         93.95112467        0.7090864947    
FOB,PFOB,DIAG,PSTEP=   -0.4654043636E-02   -0.4625310723E-02     9.876789013        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8659639989         20.20170552        0.1340360011    
FOB,PFOB,DIAG,PSTEP=   -0.1002861336E-02   -0.9204182527E-03     9.520382257        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8795574301         327.0539468        0.1204425699    
FOB,PFOB,DIAG,PSTEP=   -0.1506662786E-01   -0.1498580682E-01     7.480366681        0.1228393134E-04
J1,K1,R1,R2,RAT= 114 114    0.9964556979        -573.6217514        0.3544302120E-02
FOB,PFOB,DIAG,PSTEP=   -0.5228300043       -0.5210167066         4.549368588       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001      0.00001      0.00002      0.00000      0.00002 
    -0.00002     -0.00003      0.00002      0.00001      0.00000      0.00002 
     0.00000     -0.00001      0.00000      0.00002      0.00000      0.00004 
    -0.00002     -0.00003     -0.00005      0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001      0.00001     -0.00003 
    -0.00004     -0.00002      0.00004      0.00000      0.00005      0.00002 
    -0.00000     -0.00006      0.00004     -0.00004     -0.00003     -0.00001 
    -0.00004     -0.00003     -0.00010      0.00012     -0.00000      0.00009 
    -0.00002      0.00006      0.00005      0.00001      0.00012     -0.00003 
     0.00008      0.00195     -0.00465     -0.00100     -0.01507     -0.52283 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4348180023
 Log product of positive Hessian eigenvalues =          520.0721915081
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5493685876
 Unscaled step for mode    7=        0.0000000031
 Unscaled step for mode    8=        0.0000000049
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000014
 Unscaled step for mode   13=        0.0000000052
 Unscaled step for mode   14=        0.0000000087
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000093
 Unscaled step for mode   17=       -0.0000000078
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000310
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000110
 Unscaled step for mode   23=        0.0000000012
 Unscaled step for mode   24=       -0.0000000006
 Unscaled step for mode   25=        0.0000000457
 Unscaled step for mode   26=        0.0000000792
 Unscaled step for mode   27=        0.0000000410
 Unscaled step for mode   28=       -0.0000000176
 Unscaled step for mode   29=       -0.0000000077
 Unscaled step for mode   30=        0.0000000704
 Unscaled step for mode   31=        0.0000000288
 Unscaled step for mode   32=        0.0000000135
 Unscaled step for mode   33=       -0.0000000324
 Unscaled step for mode   34=       -0.0000000229
 Unscaled step for mode   35=       -0.0000000831
 Unscaled step for mode   36=       -0.0000000421
 Unscaled step for mode   37=        0.0000000517
 Unscaled step for mode   38=        0.0000000129
 Unscaled step for mode   39=        0.0000000676
 Unscaled step for mode   40=       -0.0000000245
 Unscaled step for mode   41=        0.0000001126
 Unscaled step for mode   42=        0.0000000336
 Unscaled step for mode   43=       -0.0000000378
 Unscaled step for mode   44=        0.0000000738
 Unscaled step for mode   45=       -0.0000000093
 Unscaled step for mode   46=       -0.0000000783
 Unscaled step for mode   47=        0.0000001319
 Unscaled step for mode   48=       -0.0000000123
 Unscaled step for mode   49=        0.0000000937
 Unscaled step for mode   50=        0.0000000463
 Unscaled step for mode   51=        0.0000000651
 Unscaled step for mode   52=        0.0000000067
 Unscaled step for mode   53=        0.0000000581
 Unscaled step for mode   54=       -0.0000000650
 Unscaled step for mode   55=       -0.0000001104
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=       -0.0000000387
 Unscaled step for mode   58=       -0.0000001259
 Unscaled step for mode   59=       -0.0000000247
 Unscaled step for mode   60=       -0.0000001238
 Unscaled step for mode   61=        0.0000001289
 Unscaled step for mode   62=        0.0000002259
 Unscaled step for mode   63=       -0.0000001640
 Unscaled step for mode   64=       -0.0000001162
 Unscaled step for mode   65=       -0.0000000203
 Unscaled step for mode   66=       -0.0000001990
 Unscaled step for mode   67=       -0.0000000309
 Unscaled step for mode   68=        0.0000000676
 Unscaled step for mode   69=       -0.0000000301
 Unscaled step for mode   70=       -0.0000001740
 Unscaled step for mode   71=       -0.0000000332
 Unscaled step for mode   72=       -0.0000003953
 Unscaled step for mode   73=        0.0000002029
 Unscaled step for mode   74=        0.0000002975
 Unscaled step for mode   75=        0.0000004733
 Unscaled step for mode   76=       -0.0000002943
 Unscaled step for mode   77=        0.0000006573
 Unscaled step for mode   78=       -0.0000000046
 Unscaled step for mode   79=       -0.0000002242
 Unscaled step for mode   80=        0.0000002146
 Unscaled step for mode   81=        0.0000002203
 Unscaled step for mode   82=       -0.0000001000
 Unscaled step for mode   83=       -0.0000001739
 Unscaled step for mode   84=        0.0000003997
 Unscaled step for mode   85=        0.0000005491
 Unscaled step for mode   86=        0.0000002393
 Unscaled step for mode   87=       -0.0000005369
 Unscaled step for mode   88=       -0.0000000095
 Unscaled step for mode   89=       -0.0000007676
 Unscaled step for mode   90=       -0.0000003842
 Unscaled step for mode   91=        0.0000000075
 Unscaled step for mode   92=        0.0000009861
 Unscaled step for mode   93=       -0.0000007045
 Unscaled step for mode   94=        0.0000007100
 Unscaled step for mode   95=        0.0000006215
 Unscaled step for mode   96=        0.0000002264
 Unscaled step for mode   97=        0.0000008279
 Unscaled step for mode   98=        0.0000007633
 Unscaled step for mode   99=        0.0000027071
 Unscaled step for mode  100=       -0.0000032154
 Unscaled step for mode  101=        0.0000000821
 Unscaled step for mode  102=       -0.0000029729
 Unscaled step for mode  103=        0.0000005875
 Unscaled step for mode  104=       -0.0000021092
 Unscaled step for mode  105=       -0.0000019891
 Unscaled step for mode  106=       -0.0000002651
 Unscaled step for mode  107=       -0.0000061684
 Unscaled step for mode  108=        0.0000019368
 Unscaled step for mode  109=       -0.0000056804
 Unscaled step for mode  110=       -0.0001585800
 Unscaled step for mode  111=        0.0004712101
 Unscaled step for mode  112=        0.0001053383
 Unscaled step for mode  113=        0.0020141482
 Unscaled step for mode  114=       -0.1134446110
 Largest modulus ratio of non-zero e/values=           160.2041549    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.181495E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.568772E-15    0.100731E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.345012E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.340873E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.201282E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.396086E-15    0.973772E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.223544E-05    0.728828E+03  0.306718E-08 0.100000E-04    0.988016E+00
   8   -0.327598E-05    0.672842E+03  0.486887E-08 0.100000E-04    0.998610E+00
   9    0.456010E-06    0.626022E+03 -0.728425E-09 0.100000E-04    0.987100E+00
  10    0.172964E-05    0.604500E+03 -0.286127E-08 0.100000E-04    0.989947E+00
  11   -0.114509E-05    0.588954E+03  0.194427E-08 0.100000E-04    0.982363E+00
  12    0.784374E-06    0.568327E+03 -0.138015E-08 0.100000E-04    0.987174E+00
  13   -0.291794E-05    0.566245E+03  0.515314E-08 0.100000E-04    0.994569E+00
  14   -0.418046E-05    0.481137E+03  0.868869E-08 0.100000E-04    0.995621E+00
  15    0.177963E-05    0.466767E+03 -0.381267E-08 0.100000E-04    0.999651E+00
  16    0.427399E-05    0.461856E+03 -0.925395E-08 0.100000E-04    0.992185E+00
  17    0.343769E-05    0.441334E+03 -0.778931E-08 0.100000E-04    0.985385E+00
  18    0.464534E-05    0.430263E+03 -0.107965E-07 0.100000E-04    0.992731E+00
  19   -0.130641E-04    0.421465E+03  0.309969E-07 0.100000E-04    0.995694E+00
  20    0.867420E-05    0.407322E+03 -0.212956E-07 0.100000E-04    0.996725E+00
  21    0.720854E-05    0.397756E+03 -0.181230E-07 0.100000E-04    0.996765E+00
  22   -0.427103E-05    0.388834E+03  0.109842E-07 0.100000E-04    0.994655E+00
  23   -0.442669E-06    0.367447E+03  0.120472E-08 0.100000E-04    0.952029E+00
  24    0.218995E-06    0.362418E+03 -0.604260E-09 0.100000E-04    0.963975E+00
  25   -0.160530E-04    0.351392E+03  0.456840E-07 0.100000E-04    0.996011E+00
  26   -0.267846E-04    0.337982E+03  0.792485E-07 0.100000E-04    0.996719E+00
  27   -0.133344E-04    0.325152E+03  0.410098E-07 0.100000E-04    0.995799E+00
  28    0.567369E-05    0.321570E+03 -0.176437E-07 0.100000E-04    0.977029E+00
  29    0.246507E-05    0.319586E+03 -0.771334E-08 0.100000E-04    0.976819E+00
  30   -0.221412E-04    0.314649E+03  0.703678E-07 0.100000E-04    0.998742E+00
  31   -0.876476E-05    0.304670E+03  0.287681E-07 0.100000E-04    0.994831E+00
  32   -0.390106E-05    0.288001E+03  0.135453E-07 0.100000E-04    0.999245E+00
  33    0.904622E-05    0.279181E+03 -0.324027E-07 0.100000E-04    0.995785E+00
  34    0.618775E-05    0.270762E+03 -0.228531E-07 0.100000E-04    0.991095E+00
  35    0.221224E-04    0.266261E+03 -0.830855E-07 0.100000E-04    0.999854E+00
  36    0.111042E-04    0.263589E+03 -0.421268E-07 0.100000E-04    0.993946E+00
  37   -0.133721E-04    0.258699E+03  0.516895E-07 0.100000E-04    0.994843E+00
  38   -0.328213E-05    0.253747E+03  0.129347E-07 0.100000E-04    0.997566E+00
  39   -0.164011E-04    0.242612E+03  0.676022E-07 0.100000E-04    0.997480E+00
  40    0.582944E-05    0.237755E+03 -0.245187E-07 0.100000E-04    0.968319E+00
  41   -0.265418E-04    0.235689E+03  0.112614E-06 0.100000E-04    0.993874E+00
  42   -0.767594E-05    0.228692E+03  0.335646E-07 0.100000E-04    0.999958E+00
  43    0.837725E-05    0.221697E+03 -0.377869E-07 0.100000E-04    0.995472E+00
  44   -0.157236E-04    0.213194E+03  0.737524E-07 0.100000E-04    0.996562E+00
  45    0.198021E-05    0.211900E+03 -0.934503E-08 0.100000E-04    0.993552E+00
  46    0.162859E-04    0.207976E+03 -0.783065E-07 0.100000E-04    0.995116E+00
  47   -0.268169E-04    0.203376E+03  0.131859E-06 0.100000E-04    0.998709E+00
  48    0.243245E-05    0.197917E+03 -0.122903E-07 0.100000E-04    0.986449E+00
  49   -0.183157E-04    0.195470E+03  0.937007E-07 0.100000E-04    0.996777E+00
  50   -0.886527E-05    0.191593E+03  0.462714E-07 0.100000E-04    0.990005E+00
  51   -0.120505E-04    0.185042E+03  0.651233E-07 0.100000E-04    0.995898E+00
  52   -0.118726E-05    0.175987E+03  0.674629E-08 0.100000E-04    0.982550E+00
  53   -0.995369E-05    0.171398E+03  0.580737E-07 0.100000E-04    0.994101E+00
  54    0.108906E-04    0.167639E+03 -0.649648E-07 0.100000E-04    0.992298E+00
  55    0.182658E-04    0.165441E+03 -0.110407E-06 0.100000E-04    0.998827E+00
  56    0.589708E-05    0.159707E+03 -0.369244E-07 0.100000E-04    0.995323E+00
  57    0.594508E-05    0.153630E+03 -0.386975E-07 0.100000E-04    0.984965E+00
  58    0.190055E-04    0.151013E+03 -0.125853E-06 0.100000E-04    0.995252E+00
  59    0.367750E-05    0.149096E+03 -0.246654E-07 0.100000E-04    0.984719E+00
  60    0.177147E-04    0.143083E+03 -0.123807E-06 0.100000E-04    0.995117E+00
  61   -0.176606E-04    0.136987E+03  0.128922E-06 0.100000E-04    0.990199E+00
  62   -0.306154E-04    0.135511E+03  0.225926E-06 0.100000E-04    0.998504E+00
  63    0.214526E-04    0.130795E+03 -0.164017E-06 0.100000E-04    0.995122E+00
  64    0.148482E-04    0.127769E+03 -0.116211E-06 0.100000E-04    0.989373E+00
  65    0.256027E-05    0.126061E+03 -0.203098E-07 0.100000E-04    0.931285E+00
  66    0.249741E-04    0.125472E+03 -0.199041E-06 0.100000E-04    0.997742E+00
  67    0.369419E-05    0.119600E+03 -0.308879E-07 0.100000E-04    0.997599E+00
  68   -0.797519E-05    0.118000E+03  0.675864E-07 0.100000E-04    0.995861E+00
  69    0.351681E-05    0.116875E+03 -0.300903E-07 0.100000E-04    0.984350E+00
  70    0.193994E-04    0.111506E+03 -0.173977E-06 0.100000E-04    0.999134E+00
  71    0.360157E-05    0.108611E+03 -0.331602E-07 0.100000E-04    0.999814E+00
  72    0.415082E-04    0.104996E+03 -0.395332E-06 0.100000E-04    0.994489E+00
  73   -0.208997E-04    0.103004E+03  0.202902E-06 0.100000E-04    0.994377E+00
  74   -0.297288E-04    0.999219E+02  0.297521E-06 0.100000E-04    0.998350E+00
  75   -0.456628E-04    0.964822E+02  0.473277E-06 0.100000E-04    0.992362E+00
  76    0.279866E-04    0.951114E+02 -0.294250E-06 0.100000E-04    0.998610E+00
  77   -0.604645E-04    0.919855E+02  0.657327E-06 0.100000E-04    0.997327E+00
  78    0.417707E-06    0.904466E+02 -0.461827E-08 0.100000E-04    0.935861E+00
  79    0.201136E-04    0.897177E+02 -0.224187E-06 0.100000E-04    0.991917E+00
  80   -0.181931E-04    0.847781E+02  0.214597E-06 0.100000E-04    0.994974E+00
  81   -0.178219E-04    0.809129E+02  0.220260E-06 0.100000E-04    0.997638E+00
  82    0.796373E-05    0.796145E+02 -0.100029E-06 0.100000E-04    0.991460E+00
  83    0.136344E-04    0.783970E+02 -0.173915E-06 0.100000E-04    0.997198E+00
  84   -0.290681E-04    0.727290E+02  0.399676E-06 0.100000E-04    0.993081E+00
  85   -0.394671E-04    0.718776E+02  0.549087E-06 0.100000E-04    0.993777E+00
  86   -0.163430E-04    0.683086E+02  0.239253E-06 0.100000E-04    0.981269E+00
  87    0.362274E-04    0.674812E+02 -0.536852E-06 0.100000E-04    0.992602E+00
  88    0.601068E-06    0.633583E+02 -0.948681E-08 0.100000E-04    0.919608E+00
  89    0.467244E-04    0.608720E+02 -0.767584E-06 0.100000E-04    0.994635E+00
  90    0.229281E-04    0.596705E+02 -0.384245E-06 0.100000E-04    0.991354E+00
  91   -0.441470E-06    0.589808E+02  0.748499E-08 0.100000E-04    0.947699E+00
  92   -0.551890E-04    0.559693E+02  0.986060E-06 0.100000E-04    0.997156E+00
  93    0.373949E-04    0.530767E+02 -0.704545E-06 0.100000E-04    0.999233E+00
  94   -0.370856E-04    0.522338E+02  0.709992E-06 0.100000E-04    0.995613E+00
  95   -0.311884E-04    0.501791E+02  0.621542E-06 0.100000E-04    0.998090E+00
  96   -0.108236E-04    0.478023E+02  0.226423E-06 0.100000E-04    0.994186E+00
  97   -0.356204E-04    0.430253E+02  0.827896E-06 0.100000E-04    0.990955E+00
  98   -0.306860E-04    0.402039E+02  0.763258E-06 0.100000E-04    0.992638E+00
  99   -0.100479E-03    0.371176E+02  0.270705E-05 0.100000E-04    0.992958E+00
 100    0.115244E-03    0.358414E+02 -0.321539E-05 0.100000E-04    0.999142E+00
 101   -0.291315E-05    0.354643E+02  0.821430E-07 0.100000E-04    0.828128E+00
 102    0.857911E-04    0.288578E+02 -0.297289E-05 0.100000E-04    0.995538E+00
 103   -0.168782E-04    0.287273E+02  0.587532E-06 0.100000E-04    0.979254E+00
 104    0.593023E-04    0.281159E+02 -0.210921E-05 0.100000E-04    0.996038E+00
 105    0.455907E-04    0.229203E+02 -0.198910E-05 0.100000E-04    0.992307E+00
 106    0.577486E-05    0.217815E+02 -0.265127E-06 0.100000E-04    0.904642E+00
 107    0.123612E-03    0.200396E+02 -0.616836E-05 0.100000E-04    0.995468E+00
 108   -0.325846E-04    0.168237E+02  0.193683E-05 0.100000E-04    0.973399E+00
 109    0.782224E-04    0.137705E+02 -0.568043E-05 0.100000E-04    0.993624E+00
 110    0.194863E-02    0.122880E+02 -0.100000E-04 0.100000E-04    0.639510E+00
 111   -0.465404E-02    0.987679E+01  0.100000E-04 0.100000E-04    0.709086E+00
 112   -0.100286E-02    0.952038E+01  0.109000E-04 0.109000E-04    0.134036E+00
 113   -0.150666E-01    0.748037E+01  0.133895E-04 0.133895E-04    0.120443E+00
 114   -0.522830E+00    0.454937E+01 -0.400000E-03 0.400000E-03    0.354430E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1134446110    

 Beginning of optimization cycle  256.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3738951033
 potential> RMS force:                                               0.0491600854   |gradient|=.5248860782    
 Eigenvalues of the Hessian matrix:
   728.88883    672.85396    626.03554    604.49870    588.94548    568.36818 
   566.25747    481.16040    466.74330    461.84727    441.33468    430.25472 
   421.47025    407.33180    397.75176    388.83482    367.45207    362.40877 
   351.38425    337.95298    325.16075    321.56885    319.59792    314.62101 
   304.66224    288.00717    279.17565    270.75965    266.26808    263.59833 
   258.70933    253.74918    242.60645    237.75340    235.68850    228.69059 
   221.67687    213.20157    211.90447    207.96541    203.37858    197.91249 
   195.46864    191.59240    185.03160    175.97361    171.40375    167.63631 
   165.43695    159.69852    153.63321    151.01576    149.09268    143.08611 
   136.98784    135.51567    130.79344    127.77130    126.06072    125.47616 
   119.60194    118.00071    116.87753    111.49882    108.60054    104.99243 
   103.00516     99.91924     96.47380     95.11050     91.99746     90.44306 
    89.72323     84.78081     80.91313     79.61739     78.39539     72.72876 
    71.88168     68.30780     67.47060     63.35738     60.86189     59.67110 
    58.98259     55.97049     53.07240     52.23417     50.17770     47.79978 
    43.02249     40.20620     37.12086     35.84694     35.45415     28.85705 
    28.72664     28.10763     22.91987     21.77764     20.04435     16.82380 
    13.77059     12.28715      9.87322      9.51465      7.47751      4.54578 
overlap for current and previous eigenvector    109 is         0.9999994027
overlap for current and previous eigenvector    110 is         0.9999992990
overlap for current and previous eigenvector    111 is         0.9998390557
overlap for current and previous eigenvector    112 is         0.9998368468
overlap for current and previous eigenvector    113 is         0.9999962495
overlap for current and previous eigenvector    114 is         0.9999996568
J1,K1,R1,R2,RAT=   7   7   -0.9774267357E-02     2.009606659        0.9902257326    
FOB,PFOB,DIAG,PSTEP=   -0.2257294849E-05   -0.2235443198E-05     728.8888340        0.3067176295E-08
J1,K1,R1,R2,RAT=   8   8   -0.9437346243E-02     2.009402957        0.9905626538    
FOB,PFOB,DIAG,PSTEP=   -0.3306897256E-05   -0.3275980166E-05     672.8539615        0.4868867071E-08
J1,K1,R1,R2,RAT=   9   9    0.3835024239E-01     1.961606167        0.9616061669    
FOB,PFOB,DIAG,PSTEP=    0.4385213345E-06    0.4560098022E-06     626.0355401       -0.7284246852E-09
J1,K1,R1,R2,RAT=  10  10    0.5148001251E-02     1.994856986        0.9948519987    
FOB,PFOB,DIAG,PSTEP=    0.1720732349E-05    0.1729636497E-05     604.4987019       -0.2861266995E-08
J1,K1,R1,R2,RAT=  11  11    0.1066521451E-01     1.989362735        0.9893347855    
FOB,PFOB,DIAG,PSTEP=   -0.1132874719E-05   -0.1145087149E-05     588.9454793        0.1944273599E-08
J1,K1,R1,R2,RAT= 109 109   -0.5410051702E-02     2.005398016        0.9945899483    
FOB,PFOB,DIAG,PSTEP=    0.7864558802E-04    0.7822239826E-04     13.77059401       -0.5680428088E-05
J1,K1,R1,R2,RAT= 110 110   -0.3569049473         32.07513349        0.6430950527    
FOB,PFOB,DIAG,PSTEP=    0.1992486564E-02    0.1948633119E-02     12.28714975       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2885028576         94.56459287        0.7114971424    
FOB,PFOB,DIAG,PSTEP=   -0.4682528163E-02   -0.4654043636E-02     9.873221588        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7549561569         20.09473197        0.2450438431    
FOB,PFOB,DIAG,PSTEP=   -0.1081157625E-02   -0.1002861336E-02     9.514652913        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7547070624         301.7259883        0.2452929376    
FOB,PFOB,DIAG,PSTEP=   -0.1514218916E-01   -0.1506662786E-01     7.477512056        0.1338948516E-04
J1,K1,R1,R2,RAT= 114 114    0.9963801310        -576.0686049        0.3619868971E-02
FOB,PFOB,DIAG,PSTEP=   -0.5246417330       -0.5228300043         4.545776876       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002      0.00001      0.00001      0.00002      0.00000      0.00002 
     0.00002      0.00003      0.00002     -0.00001     -0.00000      0.00002 
     0.00000     -0.00001     -0.00000      0.00002      0.00000      0.00004 
    -0.00002     -0.00003     -0.00005      0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001      0.00001     -0.00003 
    -0.00004     -0.00002      0.00004      0.00000      0.00005      0.00002 
    -0.00000     -0.00006      0.00004     -0.00004      0.00003     -0.00001 
     0.00004      0.00003     -0.00010      0.00011     -0.00000      0.00009 
    -0.00002      0.00006      0.00005      0.00001      0.00012     -0.00003 
     0.00008      0.00199     -0.00468     -0.00108     -0.01514     -0.52464 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4347258499
 Log product of positive Hessian eigenvalues =          520.0691172576
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5457768758
 Unscaled step for mode    7=        0.0000000031
 Unscaled step for mode    8=        0.0000000049
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000013
 Unscaled step for mode   13=        0.0000000052
 Unscaled step for mode   14=        0.0000000086
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000093
 Unscaled step for mode   17=       -0.0000000078
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000311
 Unscaled step for mode   20=       -0.0000000212
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000111
 Unscaled step for mode   23=        0.0000000011
 Unscaled step for mode   24=       -0.0000000005
 Unscaled step for mode   25=        0.0000000458
 Unscaled step for mode   26=        0.0000000795
 Unscaled step for mode   27=        0.0000000411
 Unscaled step for mode   28=       -0.0000000180
 Unscaled step for mode   29=       -0.0000000079
 Unscaled step for mode   30=        0.0000000706
 Unscaled step for mode   31=        0.0000000290
 Unscaled step for mode   32=        0.0000000137
 Unscaled step for mode   33=       -0.0000000325
 Unscaled step for mode   34=       -0.0000000230
 Unscaled step for mode   35=       -0.0000000833
 Unscaled step for mode   36=       -0.0000000425
 Unscaled step for mode   37=        0.0000000519
 Unscaled step for mode   38=        0.0000000128
 Unscaled step for mode   39=        0.0000000677
 Unscaled step for mode   40=       -0.0000000237
 Unscaled step for mode   41=        0.0000001137
 Unscaled step for mode   42=        0.0000000339
 Unscaled step for mode   43=       -0.0000000382
 Unscaled step for mode   44=        0.0000000745
 Unscaled step for mode   45=       -0.0000000092
 Unscaled step for mode   46=       -0.0000000788
 Unscaled step for mode   47=        0.0000001324
 Unscaled step for mode   48=       -0.0000000124
 Unscaled step for mode   49=        0.0000000942
 Unscaled step for mode   50=        0.0000000460
 Unscaled step for mode   51=        0.0000000654
 Unscaled step for mode   52=        0.0000000069
 Unscaled step for mode   53=        0.0000000582
 Unscaled step for mode   54=       -0.0000000654
 Unscaled step for mode   55=       -0.0000001107
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=       -0.0000000388
 Unscaled step for mode   58=       -0.0000001263
 Unscaled step for mode   59=       -0.0000000242
 Unscaled step for mode   60=       -0.0000001241
 Unscaled step for mode   61=       -0.0000001294
 Unscaled step for mode   62=       -0.0000002260
 Unscaled step for mode   63=       -0.0000001639
 Unscaled step for mode   64=        0.0000001171
 Unscaled step for mode   65=        0.0000000209
 Unscaled step for mode   66=       -0.0000001992
 Unscaled step for mode   67=       -0.0000000316
 Unscaled step for mode   68=        0.0000000677
 Unscaled step for mode   69=        0.0000000302
 Unscaled step for mode   70=       -0.0000001753
 Unscaled step for mode   71=       -0.0000000336
 Unscaled step for mode   72=       -0.0000003971
 Unscaled step for mode   73=        0.0000002037
 Unscaled step for mode   74=        0.0000002973
 Unscaled step for mode   75=        0.0000004766
 Unscaled step for mode   76=       -0.0000002936
 Unscaled step for mode   77=        0.0000006575
 Unscaled step for mode   78=       -0.0000000039
 Unscaled step for mode   79=       -0.0000002221
 Unscaled step for mode   80=        0.0000002150
 Unscaled step for mode   81=        0.0000002211
 Unscaled step for mode   82=       -0.0000000981
 Unscaled step for mode   83=       -0.0000001743
 Unscaled step for mode   84=        0.0000004008
 Unscaled step for mode   85=        0.0000005488
 Unscaled step for mode   86=        0.0000002341
 Unscaled step for mode   87=       -0.0000005388
 Unscaled step for mode   88=       -0.0000000114
 Unscaled step for mode   89=       -0.0000007684
 Unscaled step for mode   90=       -0.0000003843
 Unscaled step for mode   91=        0.0000000071
 Unscaled step for mode   92=        0.0000009877
 Unscaled step for mode   93=       -0.0000007028
 Unscaled step for mode   94=        0.0000007123
 Unscaled step for mode   95=       -0.0000006197
 Unscaled step for mode   96=        0.0000002271
 Unscaled step for mode   97=       -0.0000008259
 Unscaled step for mode   98=       -0.0000007655
 Unscaled step for mode   99=        0.0000027111
 Unscaled step for mode  100=       -0.0000032053
 Unscaled step for mode  101=        0.0000000868
 Unscaled step for mode  102=       -0.0000029796
 Unscaled step for mode  103=        0.0000005686
 Unscaled step for mode  104=       -0.0000021246
 Unscaled step for mode  105=       -0.0000019881
 Unscaled step for mode  106=       -0.0000002547
 Unscaled step for mode  107=       -0.0000061346
 Unscaled step for mode  108=        0.0000019356
 Unscaled step for mode  109=       -0.0000057111
 Unscaled step for mode  110=       -0.0001621602
 Unscaled step for mode  111=        0.0004742654
 Unscaled step for mode  112=        0.0001136308
 Unscaled step for mode  113=        0.0020250221
 Unscaled step for mode  114=       -0.1139153172
 Largest modulus ratio of non-zero e/values=           160.3441731    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.321141E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.548173E-15    0.100730E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.218823E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.807514E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.294036E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.476154E-15    0.973774E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.225729E-05    0.728889E+03  0.309690E-08 0.100000E-04    0.990226E+00
   8   -0.330690E-05    0.672854E+03  0.491473E-08 0.100000E-04    0.990563E+00
   9    0.438521E-06    0.626036E+03 -0.700474E-09 0.100000E-04    0.961606E+00
  10    0.172073E-05    0.604499E+03 -0.284654E-08 0.100000E-04    0.994852E+00
  11   -0.113287E-05    0.588945E+03  0.192356E-08 0.100000E-04    0.989335E+00
  12    0.717283E-06    0.568368E+03 -0.126200E-08 0.100000E-04    0.914327E+00
  13   -0.293101E-05    0.566257E+03  0.517610E-08 0.100000E-04    0.995522E+00
  14   -0.414277E-05    0.481160E+03  0.860996E-08 0.100000E-04    0.990891E+00
  15    0.177537E-05    0.466743E+03 -0.380374E-08 0.100000E-04    0.997608E+00
  16    0.429050E-05    0.461847E+03 -0.928986E-08 0.100000E-04    0.996137E+00
  17    0.342648E-05    0.441335E+03 -0.776390E-08 0.100000E-04    0.996737E+00
  18    0.462785E-05    0.430255E+03 -0.107561E-07 0.100000E-04    0.996235E+00
  19   -0.130949E-04    0.421470E+03  0.310696E-07 0.100000E-04    0.997640E+00
  20    0.863600E-05    0.407332E+03 -0.212014E-07 0.100000E-04    0.995551E+00
  21    0.719855E-05    0.397752E+03 -0.180981E-07 0.100000E-04    0.998614E+00
  22   -0.432536E-05    0.388835E+03  0.111239E-07 0.100000E-04    0.987280E+00
  23   -0.400789E-06    0.367452E+03  0.109072E-08 0.100000E-04    0.905364E+00
  24    0.175174E-06    0.362409E+03 -0.483361E-09 0.100000E-04    0.799896E+00
  25   -0.160939E-04    0.351384E+03  0.458013E-07 0.100000E-04    0.997454E+00
  26   -0.268768E-04    0.337953E+03  0.795281E-07 0.100000E-04    0.996559E+00
  27   -0.133788E-04    0.325161E+03  0.411453E-07 0.100000E-04    0.996670E+00
  28    0.577478E-05    0.321569E+03 -0.179582E-07 0.100000E-04    0.982181E+00
  29    0.251862E-05    0.319598E+03 -0.788057E-08 0.100000E-04    0.978280E+00
  30   -0.222222E-04    0.314621E+03  0.706316E-07 0.100000E-04    0.996342E+00
  31   -0.884747E-05    0.304662E+03  0.290403E-07 0.100000E-04    0.990563E+00
  32   -0.395261E-05    0.288007E+03  0.137240E-07 0.100000E-04    0.986788E+00
  33    0.907959E-05    0.279176E+03 -0.325228E-07 0.100000E-04    0.996312E+00
  34    0.622834E-05    0.270760E+03 -0.230032E-07 0.100000E-04    0.993440E+00
  35    0.221917E-04    0.266268E+03 -0.833436E-07 0.100000E-04    0.996866E+00
  36    0.112124E-04    0.263598E+03 -0.425358E-07 0.100000E-04    0.990254E+00
  37   -0.134286E-04    0.258709E+03  0.519062E-07 0.100000E-04    0.995770E+00
  38   -0.325907E-05    0.253749E+03  0.128437E-07 0.100000E-04    0.992953E+00
  39   -0.164361E-04    0.242606E+03  0.677480E-07 0.100000E-04    0.997865E+00
  40    0.563630E-05    0.237753E+03 -0.237065E-07 0.100000E-04    0.966868E+00
  41   -0.267977E-04    0.235689E+03  0.113700E-06 0.100000E-04    0.990361E+00
  42   -0.776288E-05    0.228691E+03  0.339449E-07 0.100000E-04    0.988674E+00
  43    0.846319E-05    0.221677E+03 -0.381781E-07 0.100000E-04    0.989739E+00
  44   -0.158870E-04    0.213202E+03  0.745166E-07 0.100000E-04    0.989605E+00
  45    0.194435E-05    0.211904E+03 -0.917562E-08 0.100000E-04    0.981849E+00
  46    0.163914E-04    0.207965E+03 -0.788177E-07 0.100000E-04    0.993523E+00
  47   -0.269184E-04    0.203379E+03  0.132356E-06 0.100000E-04    0.996217E+00
  48    0.245299E-05    0.197912E+03 -0.123943E-07 0.100000E-04    0.991555E+00
  49   -0.184221E-04    0.195469E+03  0.942456E-07 0.100000E-04    0.994194E+00
  50   -0.881774E-05    0.191592E+03  0.460234E-07 0.100000E-04    0.994639E+00
  51   -0.121067E-04    0.185032E+03  0.654306E-07 0.100000E-04    0.995337E+00
  52   -0.121267E-05    0.175974E+03  0.689118E-08 0.100000E-04    0.978597E+00
  53   -0.996812E-05    0.171404E+03  0.581558E-07 0.100000E-04    0.998551E+00
  54    0.109677E-04    0.167636E+03 -0.654253E-07 0.100000E-04    0.992928E+00
  55    0.183105E-04    0.165437E+03 -0.110680E-06 0.100000E-04    0.997552E+00
  56    0.593282E-05    0.159699E+03 -0.371502E-07 0.100000E-04    0.993938E+00
  57    0.595485E-05    0.153633E+03 -0.387601E-07 0.100000E-04    0.998357E+00
  58    0.190784E-04    0.151016E+03 -0.126334E-06 0.100000E-04    0.996167E+00
  59    0.360602E-05    0.149093E+03 -0.241864E-07 0.100000E-04    0.980561E+00
  60    0.177560E-04    0.143086E+03 -0.124093E-06 0.100000E-04    0.997669E+00
  61    0.177207E-04    0.136988E+03 -0.129360E-06 0.100000E-04    0.996598E+00
  62    0.306257E-04    0.135516E+03 -0.225994E-06 0.100000E-04    0.999662E+00
  63    0.214397E-04    0.130793E+03 -0.163920E-06 0.100000E-04    0.999398E+00
  64   -0.149621E-04    0.127771E+03  0.117100E-06 0.100000E-04    0.992329E+00
  65   -0.262882E-05    0.126061E+03  0.208536E-07 0.100000E-04    0.973228E+00
  66    0.249979E-04    0.125476E+03 -0.199225E-06 0.100000E-04    0.999047E+00
  67    0.377390E-05    0.119602E+03 -0.315539E-07 0.100000E-04    0.978423E+00
  68   -0.798330E-05    0.118001E+03  0.676547E-07 0.100000E-04    0.998983E+00
  69   -0.352409E-05    0.116878E+03  0.301520E-07 0.100000E-04    0.997929E+00
  70    0.195473E-04    0.111499E+03 -0.175314E-06 0.100000E-04    0.992377E+00
  71    0.365388E-05    0.108601E+03 -0.336452E-07 0.100000E-04    0.985472E+00
  72    0.416957E-04    0.104992E+03 -0.397130E-06 0.100000E-04    0.995483E+00
  73   -0.209827E-04    0.103005E+03  0.203705E-06 0.100000E-04    0.996029E+00
  74   -0.297079E-04    0.999192E+02  0.297319E-06 0.100000E-04    0.999296E+00
  75   -0.459758E-04    0.964738E+02  0.476562E-06 0.100000E-04    0.993146E+00
  76    0.279246E-04    0.951105E+02 -0.293601E-06 0.100000E-04    0.997784E+00
  77   -0.604879E-04    0.919975E+02  0.657496E-06 0.100000E-04    0.999613E+00
  78    0.351930E-06    0.904431E+02 -0.389118E-08 0.100000E-04    0.842522E+00
  79    0.199253E-04    0.897232E+02 -0.222075E-06 0.100000E-04    0.990515E+00
  80   -0.182276E-04    0.847808E+02  0.214996E-06 0.100000E-04    0.998107E+00
  81   -0.178906E-04    0.809131E+02  0.221109E-06 0.100000E-04    0.996144E+00
  82    0.780778E-05    0.796174E+02 -0.980663E-07 0.100000E-04    0.980347E+00
  83    0.136663E-04    0.783954E+02 -0.174325E-06 0.100000E-04    0.997662E+00
  84   -0.291493E-04    0.727288E+02  0.400795E-06 0.100000E-04    0.997204E+00
  85   -0.394497E-04    0.718817E+02  0.548814E-06 0.100000E-04    0.999445E+00
  86   -0.159882E-04    0.683078E+02  0.234061E-06 0.100000E-04    0.978290E+00
  87    0.363516E-04    0.674706E+02 -0.538777E-06 0.100000E-04    0.996571E+00
  88    0.723041E-06    0.633574E+02 -0.114121E-07 0.100000E-04    0.797070E+00
  89    0.467683E-04    0.608619E+02 -0.768434E-06 0.100000E-04    0.999060E+00
  90    0.229307E-04    0.596711E+02 -0.384285E-06 0.100000E-04    0.999888E+00
  91   -0.421314E-06    0.589826E+02  0.714302E-08 0.100000E-04    0.954282E+00
  92   -0.552817E-04    0.559705E+02  0.987694E-06 0.100000E-04    0.998321E+00
  93    0.372994E-04    0.530724E+02 -0.702802E-06 0.100000E-04    0.997446E+00
  94   -0.372085E-04    0.522342E+02  0.712341E-06 0.100000E-04    0.996685E+00
  95    0.310971E-04    0.501777E+02 -0.619739E-06 0.100000E-04    0.997071E+00
  96   -0.108549E-04    0.477998E+02  0.227092E-06 0.100000E-04    0.997101E+00
  97    0.355309E-04    0.430225E+02 -0.825867E-06 0.100000E-04    0.997485E+00
  98    0.307782E-04    0.402062E+02 -0.765509E-06 0.100000E-04    0.996994E+00
  99   -0.100637E-03    0.371209E+02  0.271106E-05 0.100000E-04    0.998432E+00
 100    0.114901E-03    0.358469E+02 -0.320531E-05 0.100000E-04    0.996709E+00
 101   -0.307589E-05    0.354542E+02  0.867569E-07 0.100000E-04    0.944118E+00
 102    0.859820E-04    0.288571E+02 -0.297958E-05 0.100000E-04    0.997775E+00
 103   -0.163337E-04    0.287266E+02  0.568590E-06 0.100000E-04    0.967738E+00
 104    0.597180E-04    0.281076E+02 -0.212462E-05 0.100000E-04    0.992988E+00
 105    0.455671E-04    0.229199E+02 -0.198811E-05 0.100000E-04    0.999483E+00
 106    0.554710E-05    0.217776E+02 -0.254715E-06 0.100000E-04    0.960553E+00
 107    0.122964E-03    0.200444E+02 -0.613460E-05 0.100000E-04    0.994291E+00
 108   -0.325647E-04    0.168238E+02  0.193563E-05 0.100000E-04    0.999374E+00
 109    0.786456E-04    0.137706E+02 -0.571113E-05 0.100000E-04    0.994590E+00
 110    0.199249E-02    0.122871E+02 -0.100000E-04 0.100000E-04    0.643095E+00
 111   -0.468253E-02    0.987322E+01  0.100000E-04 0.100000E-04    0.711497E+00
 112   -0.108116E-02    0.951465E+01  0.100000E-04 0.100000E-04    0.245044E+00
 113   -0.151422E-01    0.747751E+01  0.120626E-04 0.120626E-04    0.245293E+00
 114   -0.524642E+00    0.454578E+01 -0.400000E-03 0.400000E-03    0.361987E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1139153172    

 Beginning of optimization cycle  257.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3736851426
 potential> RMS force:                                               0.0493298386   |gradient|=.5266985474    
 Eigenvalues of the Hessian matrix:
   728.95000    672.86552    626.04910    604.49711    588.93724    568.40898 
   566.27035    481.18338    466.72013    461.83904    441.33501    430.24641 
   421.47587    407.34123    397.74716    388.83567    367.45717    362.39941 
   351.37656    337.92388    325.16936    321.56730    319.61007    314.59255 
   304.65456    288.01386    279.17010    270.75729    266.27539    263.60794 
   258.71919    253.75182    242.60105    237.75191    235.68765    228.68948 
   221.65671    213.20877    211.90926    207.95477    203.38158    197.90797 
   195.46685    191.59195    185.02130    175.96059    171.40990    167.63358 
   165.43302    159.69023    153.63672    151.01839    149.08966    143.08879 
   136.98878    135.52062    130.79174    127.77409    126.06063    125.47996 
   119.60377    118.00155    116.87987    111.49198    108.58994    104.98911 
   103.00669     99.91667     96.46542     95.10956     92.00944     90.43963 
    89.72859     84.78350     80.91330     79.62024     78.39380     72.72860 
    71.88581     68.30710     67.45991     63.35638     60.85181     59.67173 
    58.98439     55.97171     53.06814     52.23460     50.17626     47.79726 
    43.01970     40.20853     37.12417     35.85247     35.44396     28.85630 
    28.72597     28.09932     22.91951     21.77372     20.04910     16.82393 
    13.77068     12.28630      9.86987      9.50867      7.47463      4.54217 
overlap for current and previous eigenvector    109 is         0.9999994048
overlap for current and previous eigenvector    110 is         0.9999993039
overlap for current and previous eigenvector    111 is        -0.9998423143
overlap for current and previous eigenvector    112 is        -0.9998399587
overlap for current and previous eigenvector    113 is        -0.9999961974
overlap for current and previous eigenvector    114 is        -0.9999996620
J1,K1,R1,R2,RAT=   7   7   -0.1173105957E-01     2.011563237        0.9882689404    
FOB,PFOB,DIAG,PSTEP=   -0.2283777531E-05   -0.2257294849E-05     728.9500010        0.3096898654E-08
J1,K1,R1,R2,RAT=   8   8   -0.1444195552E-02     2.001409854        0.9985558044    
FOB,PFOB,DIAG,PSTEP=   -0.3311673145E-05   -0.3306897256E-05     672.8655152        0.4914732536E-08
J1,K1,R1,R2,RAT=   9   9   -0.1461066363E-01     2.014567351        0.9853893364    
FOB,PFOB,DIAG,PSTEP=    0.4449285610E-06    0.4385213345E-06     626.0490980       -0.7004735457E-09
J1,K1,R1,R2,RAT=  10  10   -0.9873070214E-02     2.009878337        0.9901269298    
FOB,PFOB,DIAG,PSTEP=    0.1737721215E-05    0.1720732349E-05     604.4971099       -0.2846544323E-08
J1,K1,R1,R2,RAT=  11  11   -0.1781082142E-01     2.017838809        0.9821891786    
FOB,PFOB,DIAG,PSTEP=   -0.1153051866E-05   -0.1132874719E-05     588.9372378        0.1923564675E-08
J1,K1,R1,R2,RAT= 109 109    0.6611674107E-02     1.993375516        0.9933755158    
FOB,PFOB,DIAG,PSTEP=    0.7812560569E-04    0.7864558802E-04     13.77068221       -0.5711125314E-05
J1,K1,R1,R2,RAT= 110 110   -0.3696288224         32.80390982        0.6303711776    
FOB,PFOB,DIAG,PSTEP=    0.2037900271E-02    0.1992486564E-02     12.28630019       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     95.11990132       -0.2345883066        0.7654116934    
FOB,PFOB,DIAG,PSTEP=    0.4705681722E-02   -0.4682528163E-02     9.869869243        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     23.64308329       -0.9026306296        0.9736937038E-01
FOB,PFOB,DIAG,PSTEP=    0.1166985818E-02   -0.1081157625E-02     9.508672856        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     336.7945029       -0.9115270831        0.8847291690E-01
FOB,PFOB,DIAG,PSTEP=    0.1522437562E-01   -0.1514218916E-01     7.474631231        0.1206259924E-04
J1,K1,R1,R2,RAT= 114 114    -578.5195972        0.9964267469        0.3573253115E-02
FOB,PFOB,DIAG,PSTEP=    0.5264521090       -0.5246417330         4.542170426       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002      0.00001     -0.00001      0.00002      0.00000      0.00002 
    -0.00002     -0.00003     -0.00002     -0.00002     -0.00000     -0.00003 
    -0.00000      0.00001     -0.00000      0.00002     -0.00000     -0.00004 
     0.00002     -0.00003     -0.00005     -0.00003     -0.00006      0.00000 
    -0.00002     -0.00002     -0.00002      0.00001      0.00001     -0.00003 
     0.00004     -0.00002      0.00004      0.00000     -0.00005     -0.00002 
     0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
    -0.00004     -0.00003     -0.00010     -0.00011     -0.00000      0.00009 
     0.00002     -0.00006      0.00005     -0.00001      0.00012      0.00003 
     0.00008      0.00204      0.00471      0.00117      0.01522      0.52645 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4346328097
 Log product of positive Hessian eigenvalues =          520.0660343260
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5421704256
 Unscaled step for mode    7=        0.0000000031
 Unscaled step for mode    8=        0.0000000049
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000012
 Unscaled step for mode   13=        0.0000000052
 Unscaled step for mode   14=        0.0000000086
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000094
 Unscaled step for mode   17=       -0.0000000079
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000312
 Unscaled step for mode   20=       -0.0000000213
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000112
 Unscaled step for mode   23=        0.0000000011
 Unscaled step for mode   24=       -0.0000000005
 Unscaled step for mode   25=        0.0000000460
 Unscaled step for mode   26=        0.0000000798
 Unscaled step for mode   27=        0.0000000413
 Unscaled step for mode   28=       -0.0000000184
 Unscaled step for mode   29=       -0.0000000081
 Unscaled step for mode   30=        0.0000000707
 Unscaled step for mode   31=        0.0000000292
 Unscaled step for mode   32=        0.0000000137
 Unscaled step for mode   33=       -0.0000000327
 Unscaled step for mode   34=       -0.0000000232
 Unscaled step for mode   35=       -0.0000000833
 Unscaled step for mode   36=       -0.0000000428
 Unscaled step for mode   37=        0.0000000522
 Unscaled step for mode   38=        0.0000000128
 Unscaled step for mode   39=        0.0000000679
 Unscaled step for mode   40=       -0.0000000229
 Unscaled step for mode   41=        0.0000001144
 Unscaled step for mode   42=        0.0000000339
 Unscaled step for mode   43=       -0.0000000384
 Unscaled step for mode   44=        0.0000000748
 Unscaled step for mode   45=       -0.0000000091
 Unscaled step for mode   46=       -0.0000000792
 Unscaled step for mode   47=        0.0000001325
 Unscaled step for mode   48=       -0.0000000126
 Unscaled step for mode   49=        0.0000000945
 Unscaled step for mode   50=        0.0000000465
 Unscaled step for mode   51=        0.0000000657
 Unscaled step for mode   52=        0.0000000070
 Unscaled step for mode   53=       -0.0000000585
 Unscaled step for mode   54=        0.0000000659
 Unscaled step for mode   55=       -0.0000001108
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=        0.0000000393
 Unscaled step for mode   58=       -0.0000001269
 Unscaled step for mode   59=       -0.0000000238
 Unscaled step for mode   60=       -0.0000001247
 Unscaled step for mode   61=        0.0000001306
 Unscaled step for mode   62=        0.0000002263
 Unscaled step for mode   63=        0.0000001647
 Unscaled step for mode   64=        0.0000001183
 Unscaled step for mode   65=        0.0000000222
 Unscaled step for mode   66=        0.0000001996
 Unscaled step for mode   67=        0.0000000315
 Unscaled step for mode   68=       -0.0000000679
 Unscaled step for mode   69=        0.0000000306
 Unscaled step for mode   70=       -0.0000001755
 Unscaled step for mode   71=        0.0000000336
 Unscaled step for mode   72=        0.0000003993
 Unscaled step for mode   73=       -0.0000002048
 Unscaled step for mode   74=        0.0000002978
 Unscaled step for mode   75=        0.0000004802
 Unscaled step for mode   76=        0.0000002931
 Unscaled step for mode   77=        0.0000006591
 Unscaled step for mode   78=       -0.0000000036
 Unscaled step for mode   79=        0.0000002202
 Unscaled step for mode   80=        0.0000002161
 Unscaled step for mode   81=        0.0000002216
 Unscaled step for mode   82=       -0.0000000972
 Unscaled step for mode   83=       -0.0000001748
 Unscaled step for mode   84=        0.0000004035
 Unscaled step for mode   85=       -0.0000005521
 Unscaled step for mode   86=        0.0000002295
 Unscaled step for mode   87=       -0.0000005427
 Unscaled step for mode   88=       -0.0000000106
 Unscaled step for mode   89=        0.0000007727
 Unscaled step for mode   90=        0.0000003876
 Unscaled step for mode   91=       -0.0000000067
 Unscaled step for mode   92=        0.0000009905
 Unscaled step for mode   93=       -0.0000007023
 Unscaled step for mode   94=       -0.0000007154
 Unscaled step for mode   95=       -0.0000006185
 Unscaled step for mode   96=       -0.0000002257
 Unscaled step for mode   97=        0.0000008334
 Unscaled step for mode   98=        0.0000007711
 Unscaled step for mode   99=        0.0000027296
 Unscaled step for mode  100=        0.0000032075
 Unscaled step for mode  101=        0.0000000989
 Unscaled step for mode  102=       -0.0000029927
 Unscaled step for mode  103=       -0.0000005559
 Unscaled step for mode  104=        0.0000021331
 Unscaled step for mode  105=       -0.0000020036
 Unscaled step for mode  106=        0.0000002777
 Unscaled step for mode  107=       -0.0000061613
 Unscaled step for mode  108=       -0.0000018819
 Unscaled step for mode  109=       -0.0000056733
 Unscaled step for mode  110=       -0.0001658677
 Unscaled step for mode  111=       -0.0004767723
 Unscaled step for mode  112=       -0.0001227286
 Unscaled step for mode  113=       -0.0020367978
 Unscaled step for mode  114=        0.1143866907
 Largest modulus ratio of non-zero e/values=           160.4849516    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.366027E-15    0.101892E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.952797E-15    0.100730E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.438018E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.350018E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.837004E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.446285E-15    0.973775E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.228378E-05    0.728950E+03  0.313297E-08 0.100000E-04    0.988269E+00
   8   -0.331167E-05    0.672866E+03  0.492175E-08 0.100000E-04    0.998556E+00
   9    0.444929E-06    0.626049E+03 -0.710693E-09 0.100000E-04    0.985389E+00
  10    0.173772E-05    0.604497E+03 -0.287466E-08 0.100000E-04    0.990127E+00
  11   -0.115305E-05    0.588937E+03  0.195785E-08 0.100000E-04    0.982189E+00
  12    0.708265E-06    0.568409E+03 -0.124605E-08 0.100000E-04    0.987286E+00
  13   -0.294674E-05    0.566270E+03  0.520376E-08 0.100000E-04    0.994634E+00
  14   -0.412484E-05    0.481183E+03  0.857229E-08 0.100000E-04    0.995577E+00
  15    0.177693E-05    0.466720E+03 -0.380727E-08 0.100000E-04    0.999120E+00
  16    0.432341E-05    0.461839E+03 -0.936129E-08 0.100000E-04    0.992328E+00
  17    0.347568E-05    0.441335E+03 -0.787538E-08 0.100000E-04    0.985640E+00
  18    0.466209E-05    0.430246E+03 -0.108359E-07 0.100000E-04    0.992603E+00
  19   -0.131512E-04    0.421476E+03  0.312027E-07 0.100000E-04    0.995703E+00
  20    0.866392E-05    0.407341E+03 -0.212694E-07 0.100000E-04    0.996767E+00
  21    0.722174E-05    0.397747E+03 -0.181566E-07 0.100000E-04    0.996779E+00
  22   -0.434733E-05    0.388836E+03  0.111804E-07 0.100000E-04    0.994921E+00
  23   -0.421649E-06    0.367457E+03  0.114748E-08 0.100000E-04    0.947951E+00
  24    0.182709E-06    0.362399E+03 -0.504165E-09 0.100000E-04    0.956986E+00
  25   -0.161583E-04    0.351377E+03  0.459858E-07 0.100000E-04    0.995993E+00
  26   -0.269640E-04    0.337924E+03  0.797931E-07 0.100000E-04    0.996754E+00
  27   -0.134345E-04    0.325169E+03  0.413153E-07 0.100000E-04    0.995841E+00
  28    0.590256E-05    0.321567E+03 -0.183556E-07 0.100000E-04    0.977873E+00
  29    0.257475E-05    0.319610E+03 -0.805592E-08 0.100000E-04    0.977712E+00
  30   -0.222484E-04    0.314593E+03  0.707213E-07 0.100000E-04    0.998820E+00
  31   -0.889355E-05    0.304655E+03  0.291922E-07 0.100000E-04    0.994791E+00
  32   -0.395502E-05    0.288014E+03  0.137320E-07 0.100000E-04    0.999389E+00
  33    0.911734E-05    0.279170E+03 -0.326587E-07 0.100000E-04    0.995842E+00
  34    0.628256E-05    0.270757E+03 -0.232036E-07 0.100000E-04    0.991295E+00
  35    0.221938E-04    0.266275E+03 -0.833489E-07 0.100000E-04    0.999909E+00
  36    0.112777E-04    0.263608E+03 -0.427819E-07 0.100000E-04    0.994178E+00
  37   -0.134976E-04    0.258719E+03  0.521709E-07 0.100000E-04    0.994863E+00
  38   -0.325054E-05    0.253752E+03  0.128099E-07 0.100000E-04    0.997364E+00
  39   -0.164775E-04    0.242601E+03  0.679204E-07 0.100000E-04    0.997478E+00
  40    0.544005E-05    0.237752E+03 -0.228812E-07 0.100000E-04    0.965180E+00
  41   -0.269556E-04    0.235688E+03  0.114370E-06 0.100000E-04    0.994107E+00
  42   -0.776188E-05    0.228689E+03  0.339407E-07 0.100000E-04    0.999872E+00
  43    0.850203E-05    0.221657E+03 -0.383567E-07 0.100000E-04    0.995411E+00
  44   -0.159404E-04    0.213209E+03  0.747641E-07 0.100000E-04    0.996644E+00
  45    0.193174E-05    0.211909E+03 -0.911586E-08 0.100000E-04    0.993465E+00
  46    0.164708E-04    0.207955E+03 -0.792038E-07 0.100000E-04    0.995152E+00
  47   -0.269508E-04    0.203382E+03  0.132513E-06 0.100000E-04    0.998797E+00
  48    0.248671E-05    0.197908E+03 -0.125650E-07 0.100000E-04    0.986254E+00
  49   -0.184807E-04    0.195467E+03  0.945464E-07 0.100000E-04    0.996817E+00
  50   -0.890535E-05    0.191592E+03  0.464808E-07 0.100000E-04    0.990065E+00
  51   -0.121566E-04    0.185021E+03  0.657040E-07 0.100000E-04    0.995876E+00
  52   -0.123303E-05    0.175961E+03  0.700745E-08 0.100000E-04    0.983202E+00
  53    0.100274E-04    0.171410E+03 -0.584996E-07 0.100000E-04    0.994051E+00
  54   -0.110516E-04    0.167634E+03  0.659273E-07 0.100000E-04    0.992344E+00
  55    0.183311E-04    0.165433E+03 -0.110807E-06 0.100000E-04    0.998872E+00
  56    0.590319E-05    0.159690E+03 -0.369665E-07 0.100000E-04    0.995004E+00
  57   -0.604438E-05    0.153637E+03  0.393420E-07 0.100000E-04    0.984965E+00
  58    0.191665E-04    0.151018E+03 -0.126915E-06 0.100000E-04    0.995381E+00
  59    0.354942E-05    0.149090E+03 -0.238073E-07 0.100000E-04    0.984303E+00
  60    0.178428E-04    0.143089E+03 -0.124697E-06 0.100000E-04    0.995113E+00
  61   -0.178933E-04    0.136989E+03  0.130619E-06 0.100000E-04    0.990259E+00
  62   -0.306696E-04    0.135521E+03  0.226309E-06 0.100000E-04    0.998569E+00
  63   -0.215426E-04    0.130792E+03  0.164709E-06 0.100000E-04    0.995201E+00
  64   -0.151192E-04    0.127774E+03  0.118327E-06 0.100000E-04    0.989501E+00
  65   -0.280090E-05    0.126061E+03  0.222187E-07 0.100000E-04    0.934538E+00
  66   -0.250516E-04    0.125480E+03  0.199646E-06 0.100000E-04    0.997852E+00
  67   -0.376383E-05    0.119604E+03  0.314691E-07 0.100000E-04    0.997299E+00
  68    0.801677E-05    0.118002E+03 -0.679379E-07 0.100000E-04    0.995807E+00
  69   -0.357826E-05    0.116880E+03  0.306148E-07 0.100000E-04    0.984630E+00
  70    0.195643E-04    0.111492E+03 -0.175478E-06 0.100000E-04    0.999129E+00
  71   -0.365288E-05    0.108590E+03  0.336393E-07 0.100000E-04    0.999727E+00
  72   -0.419212E-04    0.104989E+03  0.399290E-06 0.100000E-04    0.994592E+00
  73    0.211000E-04    0.103007E+03 -0.204841E-06 0.100000E-04    0.994408E+00
  74   -0.297547E-04    0.999167E+02  0.297795E-06 0.100000E-04    0.998423E+00
  75   -0.463256E-04    0.964654E+02  0.480230E-06 0.100000E-04    0.992390E+00
  76   -0.278772E-04    0.951096E+02  0.293106E-06 0.100000E-04    0.998303E+00
  77   -0.606456E-04    0.920094E+02  0.659124E-06 0.100000E-04    0.997393E+00
  78    0.323891E-06    0.904396E+02 -0.358130E-08 0.100000E-04    0.920326E+00
  79   -0.197605E-04    0.897286E+02  0.220225E-06 0.100000E-04    0.991613E+00
  80   -0.183192E-04    0.847835E+02  0.216071E-06 0.100000E-04    0.994971E+00
  81   -0.179314E-04    0.809133E+02  0.221613E-06 0.100000E-04    0.997720E+00
  82    0.773836E-05    0.796202E+02 -0.971908E-07 0.100000E-04    0.991037E+00
  83    0.137067E-04    0.783938E+02 -0.174845E-06 0.100000E-04    0.997039E+00
  84   -0.293482E-04    0.727286E+02  0.403530E-06 0.100000E-04    0.993179E+00
  85    0.396916E-04    0.718858E+02 -0.552148E-06 0.100000E-04    0.993867E+00
  86   -0.156798E-04    0.683071E+02  0.229548E-06 0.100000E-04    0.980709E+00
  87    0.366111E-04    0.674599E+02 -0.542710E-06 0.100000E-04    0.992859E+00
  88    0.671198E-06    0.633564E+02 -0.105940E-07 0.100000E-04    0.928298E+00
  89   -0.470183E-04    0.608518E+02  0.772669E-06 0.100000E-04    0.994654E+00
  90   -0.231290E-04    0.596717E+02  0.387604E-06 0.100000E-04    0.991352E+00
  91    0.394098E-06    0.589844E+02 -0.668140E-08 0.100000E-04    0.935344E+00
  92   -0.554382E-04    0.559717E+02  0.990469E-06 0.100000E-04    0.997169E+00
  93    0.372676E-04    0.530681E+02 -0.702259E-06 0.100000E-04    0.999147E+00
  94    0.373682E-04    0.522346E+02 -0.715392E-06 0.100000E-04    0.995708E+00
  95    0.310331E-04    0.501763E+02 -0.618482E-06 0.100000E-04    0.997944E+00
  96    0.107893E-04    0.477973E+02 -0.225731E-06 0.100000E-04    0.993956E+00
  97   -0.358506E-04    0.430197E+02  0.833353E-06 0.100000E-04    0.991001E+00
  98   -0.310043E-04    0.402085E+02  0.771088E-06 0.100000E-04    0.992654E+00
  99   -0.101334E-03    0.371242E+02  0.272961E-05 0.100000E-04    0.993069E+00
 100   -0.114995E-03    0.358525E+02  0.320746E-05 0.100000E-04    0.999176E+00
 101   -0.350373E-05    0.354440E+02  0.988527E-07 0.100000E-04    0.860866E+00
 102    0.863570E-04    0.288563E+02 -0.299266E-05 0.100000E-04    0.995638E+00
 103    0.159686E-04    0.287260E+02 -0.555893E-06 0.100000E-04    0.977645E+00
 104   -0.599399E-04    0.280993E+02  0.213314E-05 0.100000E-04    0.996282E+00
 105    0.459218E-04    0.229195E+02 -0.200361E-05 0.100000E-04    0.992217E+00
 106   -0.604644E-05    0.217737E+02  0.277694E-06 0.100000E-04    0.909966E+00
 107    0.123529E-03    0.200491E+02 -0.616131E-05 0.100000E-04    0.995410E+00
 108    0.316616E-04    0.168239E+02 -0.188194E-05 0.100000E-04    0.972254E+00
 109    0.781256E-04    0.137707E+02 -0.567333E-05 0.100000E-04    0.993376E+00
 110    0.203790E-02    0.122863E+02 -0.100000E-04 0.100000E-04    0.630371E+00
 111    0.470568E-02    0.986987E+01 -0.100000E-04 0.100000E-04    0.765412E+00
 112    0.116699E-02    0.950867E+01 -0.109000E-04 0.109000E-04    0.973694E-01
 113    0.152244E-01    0.747463E+01 -0.131482E-04 0.131482E-04    0.884729E-01
 114    0.526452E+00    0.454217E+01  0.400000E-03 0.400000E-03    0.357325E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1143866907    

 Beginning of optimization cycle  258.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3734744780
 potential> RMS force:                                               0.0494994298   |gradient|=.5285092856    
 Eigenvalues of the Hessian matrix:
   729.01114    672.87698    626.06268    604.49541    588.92894    568.44989 
   566.28295    481.20636    466.69691    461.83085    441.33538    430.23822 
   421.48144    407.35057    397.74254    388.83644    367.46234    362.39004 
   351.36888    337.89493    325.17805    321.56575    319.62215    314.56412 
   304.64686    288.02055    279.16458    270.75500    266.28276    263.61758 
   258.72915    253.75445    242.59568    237.75075    235.68656    228.68835 
   221.63655    213.21603    211.91408    207.94417    203.38455    197.90343 
   195.46505    191.59151    185.01102    175.94757    171.41607    167.63089 
   165.42905    159.68191    153.64027    151.02107    149.08650    143.09145 
   136.98974    135.52558    130.79002    127.77692    126.06049    125.48370 
   119.60561    118.00238    116.88218    111.48514    108.57933    104.98576 
   103.00823     99.91410     96.45699     95.10857     92.02145     90.43630 
    89.73384     84.78623     80.91349     79.62310     78.39221     72.72845 
    71.88992     68.30641     67.44912     63.35538     60.84170     59.67237 
    58.98619     55.97293     53.06388     52.23502     50.17483     47.79471 
    43.01696     40.21084     37.12750     35.85797     35.43371     28.85557 
    28.72530     28.09104     22.91919     21.76976     20.05386     16.82405 
    13.77078     12.28546      9.86677      9.50255      7.47170      4.53854 
overlap for current and previous eigenvector    109 is         0.9999994131
overlap for current and previous eigenvector    110 is         0.9999993087
overlap for current and previous eigenvector    111 is         0.9998497273
overlap for current and previous eigenvector    112 is         0.9998472519
overlap for current and previous eigenvector    113 is         0.9999961563
overlap for current and previous eigenvector    114 is         0.9999996595
J1,K1,R1,R2,RAT=   7   7   -0.9711949517E-02     2.009544214        0.9902880505    
FOB,PFOB,DIAG,PSTEP=   -0.2305959324E-05   -0.2283777531E-05     729.0111416        0.3132968692E-08
J1,K1,R1,R2,RAT=   8   8   -0.9285909422E-02     2.009251836        0.9907140906    
FOB,PFOB,DIAG,PSTEP=   -0.3342425565E-05   -0.3311673145E-05     672.8769787        0.4921745980E-08
J1,K1,R1,R2,RAT=   9   9    0.4043103398E-01     1.959525590        0.9595255898    
FOB,PFOB,DIAG,PSTEP=    0.4269392491E-06    0.4449285610E-06     626.0626762       -0.7106927594E-09
J1,K1,R1,R2,RAT=  10  10    0.4947616043E-02     1.995058022        0.9950523840    
FOB,PFOB,DIAG,PSTEP=    0.1729123662E-05    0.1737721215E-05     604.4954060       -0.2874655952E-08
J1,K1,R1,R2,RAT=  11  11    0.1058430434E-01     1.989443889        0.9894156957    
FOB,PFOB,DIAG,PSTEP=   -0.1140847786E-05   -0.1153051866E-05     588.9289358        0.1957851860E-08
J1,K1,R1,R2,RAT= 109 109   -0.5435152994E-02     2.005421237        0.9945648470    
FOB,PFOB,DIAG,PSTEP=    0.7855023327E-04    0.7812560569E-04     13.77077802       -0.5673328634E-05
J1,K1,R1,R2,RAT= 110 110   -0.3660842360         33.54189616        0.6339157640    
FOB,PFOB,DIAG,PSTEP=    0.2082875397E-02    0.2037900271E-02     12.28545831       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2321892311         95.61662125        0.7678107689    
FOB,PFOB,DIAG,PSTEP=    0.4728591301E-02    0.4705681722E-02     9.866770965       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7839270882         23.31744596        0.2160729118    
FOB,PFOB,DIAG,PSTEP=    0.1248183238E-02    0.1166985818E-02     9.502547716       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7854477107         310.7290735        0.2145522893    
FOB,PFOB,DIAG,PSTEP=    0.1530153772E-01    0.1522437562E-01     7.471699198       -0.1314823318E-04
J1,K1,R1,R2,RAT= 114 114    0.9963491882        -580.9760578        0.3650811783E-02
FOB,PFOB,DIAG,PSTEP=    0.5282608969        0.5264521090         4.538539032        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002      0.00001     -0.00001      0.00002      0.00000      0.00002 
     0.00002     -0.00003      0.00002      0.00002      0.00000      0.00003 
    -0.00000     -0.00001      0.00000     -0.00002      0.00000      0.00004 
    -0.00002     -0.00003     -0.00005     -0.00003      0.00006      0.00000 
    -0.00002     -0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004     -0.00002     -0.00004     -0.00000      0.00005      0.00002 
    -0.00000      0.00006     -0.00004     -0.00004     -0.00003     -0.00001 
     0.00004      0.00003      0.00010     -0.00011     -0.00000      0.00009 
     0.00002     -0.00006      0.00005     -0.00001      0.00012      0.00003 
     0.00008      0.00208      0.00473      0.00125      0.01530      0.52826 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4345387336
 Log product of positive Hessian eigenvalues =          520.0629450941
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5385390315
 Unscaled step for mode    7=        0.0000000032
 Unscaled step for mode    8=        0.0000000050
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000011
 Unscaled step for mode   13=        0.0000000052
 Unscaled step for mode   14=        0.0000000085
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000094
 Unscaled step for mode   17=       -0.0000000079
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000313
 Unscaled step for mode   20=       -0.0000000212
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000113
 Unscaled step for mode   23=        0.0000000010
 Unscaled step for mode   24=       -0.0000000004
 Unscaled step for mode   25=        0.0000000461
 Unscaled step for mode   26=        0.0000000801
 Unscaled step for mode   27=        0.0000000414
 Unscaled step for mode   28=       -0.0000000187
 Unscaled step for mode   29=       -0.0000000082
 Unscaled step for mode   30=        0.0000000710
 Unscaled step for mode   31=        0.0000000295
 Unscaled step for mode   32=        0.0000000139
 Unscaled step for mode   33=       -0.0000000328
 Unscaled step for mode   34=       -0.0000000234
 Unscaled step for mode   35=       -0.0000000836
 Unscaled step for mode   36=       -0.0000000432
 Unscaled step for mode   37=        0.0000000524
 Unscaled step for mode   38=        0.0000000127
 Unscaled step for mode   39=        0.0000000681
 Unscaled step for mode   40=       -0.0000000220
 Unscaled step for mode   41=        0.0000001154
 Unscaled step for mode   42=        0.0000000343
 Unscaled step for mode   43=       -0.0000000387
 Unscaled step for mode   44=        0.0000000755
 Unscaled step for mode   45=       -0.0000000089
 Unscaled step for mode   46=       -0.0000000797
 Unscaled step for mode   47=        0.0000001330
 Unscaled step for mode   48=       -0.0000000127
 Unscaled step for mode   49=        0.0000000951
 Unscaled step for mode   50=        0.0000000462
 Unscaled step for mode   51=        0.0000000660
 Unscaled step for mode   52=       -0.0000000072
 Unscaled step for mode   53=        0.0000000586
 Unscaled step for mode   54=        0.0000000664
 Unscaled step for mode   55=       -0.0000001111
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=        0.0000000394
 Unscaled step for mode   58=       -0.0000001274
 Unscaled step for mode   59=       -0.0000000233
 Unscaled step for mode   60=       -0.0000001250
 Unscaled step for mode   61=       -0.0000001311
 Unscaled step for mode   62=        0.0000002264
 Unscaled step for mode   63=       -0.0000001646
 Unscaled step for mode   64=       -0.0000001192
 Unscaled step for mode   65=       -0.0000000228
 Unscaled step for mode   66=       -0.0000001998
 Unscaled step for mode   67=        0.0000000321
 Unscaled step for mode   68=        0.0000000680
 Unscaled step for mode   69=       -0.0000000307
 Unscaled step for mode   70=        0.0000001768
 Unscaled step for mode   71=       -0.0000000341
 Unscaled step for mode   72=       -0.0000004011
 Unscaled step for mode   73=        0.0000002056
 Unscaled step for mode   74=        0.0000002976
 Unscaled step for mode   75=        0.0000004836
 Unscaled step for mode   76=        0.0000002924
 Unscaled step for mode   77=       -0.0000006592
 Unscaled step for mode   78=       -0.0000000028
 Unscaled step for mode   79=        0.0000002181
 Unscaled step for mode   80=        0.0000002165
 Unscaled step for mode   81=        0.0000002225
 Unscaled step for mode   82=       -0.0000000952
 Unscaled step for mode   83=       -0.0000001752
 Unscaled step for mode   84=       -0.0000004047
 Unscaled step for mode   85=        0.0000005519
 Unscaled step for mode   86=        0.0000002245
 Unscaled step for mode   87=        0.0000005444
 Unscaled step for mode   88=        0.0000000125
 Unscaled step for mode   89=       -0.0000007735
 Unscaled step for mode   90=       -0.0000003877
 Unscaled step for mode   91=        0.0000000063
 Unscaled step for mode   92=       -0.0000009920
 Unscaled step for mode   93=        0.0000007005
 Unscaled step for mode   94=        0.0000007178
 Unscaled step for mode   95=        0.0000006167
 Unscaled step for mode   96=        0.0000002264
 Unscaled step for mode   97=       -0.0000008313
 Unscaled step for mode   98=       -0.0000007733
 Unscaled step for mode   99=       -0.0000027336
 Unscaled step for mode  100=        0.0000031972
 Unscaled step for mode  101=        0.0000001034
 Unscaled step for mode  102=       -0.0000029992
 Unscaled step for mode  103=       -0.0000005366
 Unscaled step for mode  104=        0.0000021489
 Unscaled step for mode  105=       -0.0000020025
 Unscaled step for mode  106=        0.0000002675
 Unscaled step for mode  107=       -0.0000061271
 Unscaled step for mode  108=       -0.0000018811
 Unscaled step for mode  109=       -0.0000057041
 Unscaled step for mode  110=       -0.0001695399
 Unscaled step for mode  111=       -0.0004792439
 Unscaled step for mode  112=       -0.0001313525
 Unscaled step for mode  113=       -0.0020479242
 Unscaled step for mode  114=        0.1148589384
 Largest modulus ratio of non-zero e/values=           160.6268309    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.382940E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.781276E-15    0.100730E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.776289E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.762031E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.327101E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.976080E-15    0.973777E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.230596E-05    0.729011E+03  0.316313E-08 0.100000E-04    0.990288E+00
   8   -0.334243E-05    0.672877E+03  0.496737E-08 0.100000E-04    0.990714E+00
   9    0.426939E-06    0.626063E+03 -0.681943E-09 0.100000E-04    0.959526E+00
  10    0.172912E-05    0.604495E+03 -0.286044E-08 0.100000E-04    0.995052E+00
  11   -0.114085E-05    0.588929E+03  0.193716E-08 0.100000E-04    0.989416E+00
  12    0.640998E-06    0.568450E+03 -0.112762E-08 0.100000E-04    0.904888E+00
  13   -0.295868E-05    0.566283E+03  0.522474E-08 0.100000E-04    0.995947E+00
  14   -0.408658E-05    0.481206E+03  0.849236E-08 0.100000E-04    0.990628E+00
  15    0.177217E-05    0.466697E+03 -0.379727E-08 0.100000E-04    0.997323E+00
  16    0.434015E-05    0.461831E+03 -0.939770E-08 0.100000E-04    0.996128E+00
  17    0.346469E-05    0.441335E+03 -0.785047E-08 0.100000E-04    0.996836E+00
  18    0.464425E-05    0.430238E+03 -0.107946E-07 0.100000E-04    0.996174E+00
  19   -0.131819E-04    0.421481E+03  0.312753E-07 0.100000E-04    0.997661E+00
  20    0.862558E-05    0.407351E+03 -0.211748E-07 0.100000E-04    0.995529E+00
  21    0.721131E-05    0.397743E+03 -0.181306E-07 0.100000E-04    0.998556E+00
  22   -0.440213E-05    0.388836E+03  0.113213E-07 0.100000E-04    0.987395E+00
  23   -0.379635E-06    0.367462E+03  0.103313E-08 0.100000E-04    0.900330E+00
  24    0.138587E-06    0.362390E+03 -0.382424E-09 0.100000E-04    0.758504E+00
  25   -0.161987E-04    0.351369E+03  0.461018E-07 0.100000E-04    0.997500E+00
  26   -0.270554E-04    0.337895E+03  0.800706E-07 0.100000E-04    0.996608E+00
  27   -0.134785E-04    0.325178E+03  0.414495E-07 0.100000E-04    0.996724E+00
  28    0.600454E-05    0.321566E+03 -0.186728E-07 0.100000E-04    0.982723E+00
  29    0.262984E-05    0.319622E+03 -0.822797E-08 0.100000E-04    0.978605E+00
  30   -0.223284E-04    0.314564E+03  0.709821E-07 0.100000E-04    0.996403E+00
  31   -0.897648E-05    0.304647E+03  0.294652E-07 0.100000E-04    0.990676E+00
  32   -0.400685E-05    0.288021E+03  0.139117E-07 0.100000E-04    0.986896E+00
  33    0.915098E-05    0.279165E+03 -0.327799E-07 0.100000E-04    0.996309E+00
  34    0.632429E-05    0.270755E+03 -0.233580E-07 0.100000E-04    0.993357E+00
  35    0.222619E-04    0.266283E+03 -0.836023E-07 0.100000E-04    0.996932E+00
  36    0.113868E-04    0.263618E+03 -0.431946E-07 0.100000E-04    0.990318E+00
  37   -0.135541E-04    0.258729E+03  0.523873E-07 0.100000E-04    0.995812E+00
  38   -0.322659E-05    0.253754E+03  0.127154E-07 0.100000E-04    0.992610E+00
  39   -0.165122E-04    0.242596E+03  0.680647E-07 0.100000E-04    0.997897E+00
  40    0.523869E-05    0.237751E+03 -0.220344E-07 0.100000E-04    0.962986E+00
  41   -0.272094E-04    0.235687E+03  0.115447E-06 0.100000E-04    0.990584E+00
  42   -0.784948E-05    0.228688E+03  0.343239E-07 0.100000E-04    0.988714E+00
  43    0.858804E-05    0.221637E+03 -0.387483E-07 0.100000E-04    0.989882E+00
  44   -0.161043E-04    0.213216E+03  0.755304E-07 0.100000E-04    0.989716E+00
  45    0.189637E-05    0.211914E+03 -0.894877E-08 0.100000E-04    0.981648E+00
  46    0.165769E-04    0.207944E+03 -0.797181E-07 0.100000E-04    0.993558E+00
  47   -0.270512E-04    0.203385E+03  0.133005E-06 0.100000E-04    0.996275E+00
  48    0.250692E-05    0.197903E+03 -0.126674E-07 0.100000E-04    0.991870E+00
  49   -0.185869E-04    0.195465E+03  0.950907E-07 0.100000E-04    0.994252E+00
  50   -0.885802E-05    0.191592E+03  0.462339E-07 0.100000E-04    0.994685E+00
  51   -0.122122E-04    0.185011E+03  0.660081E-07 0.100000E-04    0.995428E+00
  52    0.125882E-05    0.175948E+03 -0.715452E-08 0.100000E-04    0.979086E+00
  53   -0.100417E-04    0.171416E+03  0.585806E-07 0.100000E-04    0.998580E+00
  54   -0.111288E-04    0.167631E+03  0.663885E-07 0.100000E-04    0.993020E+00
  55    0.183752E-04    0.165429E+03 -0.111076E-06 0.100000E-04    0.997594E+00
  56    0.593944E-05    0.159682E+03 -0.371955E-07 0.100000E-04    0.993858E+00
  57   -0.605436E-05    0.153640E+03  0.394061E-07 0.100000E-04    0.998349E+00
  58    0.192391E-04    0.151021E+03 -0.127394E-06 0.100000E-04    0.996212E+00
  59    0.347666E-05    0.149087E+03 -0.233197E-07 0.100000E-04    0.979501E+00
  60    0.178836E-04    0.143091E+03 -0.124980E-06 0.100000E-04    0.997713E+00
  61    0.179547E-04    0.136990E+03 -0.131066E-06 0.100000E-04    0.996573E+00
  62   -0.306784E-04    0.135526E+03  0.226366E-06 0.100000E-04    0.999713E+00
  63    0.215294E-04    0.130790E+03 -0.164610E-06 0.100000E-04    0.999389E+00
  64    0.152341E-04    0.127777E+03 -0.119224E-06 0.100000E-04    0.992397E+00
  65    0.287518E-05    0.126060E+03 -0.228079E-07 0.100000E-04    0.973481E+00
  66    0.250731E-04    0.125484E+03 -0.199812E-06 0.100000E-04    0.999142E+00
  67   -0.384449E-05    0.119606E+03  0.321430E-07 0.100000E-04    0.978570E+00
  68   -0.802408E-05    0.118002E+03  0.679993E-07 0.100000E-04    0.999089E+00
  69    0.358580E-05    0.116882E+03 -0.306787E-07 0.100000E-04    0.997893E+00
  70   -0.197112E-04    0.111485E+03  0.176806E-06 0.100000E-04    0.992492E+00
  71    0.370533E-05    0.108579E+03 -0.341256E-07 0.100000E-04    0.985640E+00
  72    0.421110E-04    0.104986E+03 -0.401112E-06 0.100000E-04    0.995470E+00
  73   -0.211822E-04    0.103008E+03  0.205636E-06 0.100000E-04    0.996102E+00
  74   -0.297330E-04    0.999141E+02  0.297585E-06 0.100000E-04    0.999269E+00
  75   -0.466421E-04    0.964570E+02  0.483553E-06 0.100000E-04    0.993168E+00
  76   -0.278058E-04    0.951086E+02  0.292359E-06 0.100000E-04    0.997440E+00
  77    0.606629E-04    0.920214E+02 -0.659225E-06 0.100000E-04    0.999716E+00
  78    0.256717E-06    0.904363E+02 -0.283865E-08 0.100000E-04    0.792594E+00
  79   -0.195743E-04    0.897338E+02  0.218137E-06 0.100000E-04    0.990458E+00
  80   -0.183525E-04    0.847862E+02  0.216456E-06 0.100000E-04    0.998182E+00
  81   -0.180004E-04    0.809135E+02  0.222464E-06 0.100000E-04    0.996155E+00
  82    0.758155E-05    0.796231E+02 -0.952180E-07 0.100000E-04    0.979665E+00
  83    0.137365E-04    0.783922E+02 -0.175228E-06 0.100000E-04    0.997828E+00
  84    0.294304E-04    0.727284E+02 -0.404661E-06 0.100000E-04    0.997200E+00
  85   -0.396742E-04    0.718899E+02  0.551874E-06 0.100000E-04    0.999446E+00
  86   -0.153326E-04    0.683064E+02  0.224468E-06 0.100000E-04    0.977856E+00
  87   -0.367226E-04    0.674491E+02  0.544448E-06 0.100000E-04    0.996956E+00
  88   -0.793858E-06    0.633554E+02  0.125302E-07 0.100000E-04    0.817251E+00
  89    0.470606E-04    0.608417E+02 -0.773492E-06 0.100000E-04    0.999101E+00
  90    0.231341E-04    0.596724E+02 -0.387686E-06 0.100000E-04    0.999779E+00
  91   -0.372456E-06    0.589862E+02  0.631430E-08 0.100000E-04    0.945026E+00
  92    0.555275E-04    0.559729E+02 -0.992043E-06 0.100000E-04    0.998390E+00
  93   -0.371699E-04    0.530639E+02  0.700474E-06 0.100000E-04    0.997378E+00
  94   -0.374921E-04    0.522350E+02  0.717759E-06 0.100000E-04    0.996684E+00
  95   -0.309420E-04    0.501748E+02  0.616684E-06 0.100000E-04    0.997063E+00
  96   -0.108196E-04    0.477947E+02  0.226376E-06 0.100000E-04    0.997195E+00
  97    0.357619E-04    0.430170E+02 -0.831343E-06 0.100000E-04    0.997525E+00
  98    0.310968E-04    0.402108E+02 -0.773344E-06 0.100000E-04    0.997016E+00
  99    0.101490E-03    0.371275E+02 -0.273355E-05 0.100000E-04    0.998465E+00
 100   -0.114645E-03    0.358580E+02  0.319721E-05 0.100000E-04    0.996652E+00
 101   -0.366283E-05    0.354337E+02  0.103371E-06 0.100000E-04    0.954579E+00
 102    0.865446E-04    0.288556E+02 -0.299924E-05 0.100000E-04    0.997827E+00
 103    0.154146E-04    0.287253E+02 -0.536622E-06 0.100000E-04    0.965310E+00
 104   -0.603658E-04    0.280910E+02  0.214893E-05 0.100000E-04    0.992893E+00
 105    0.458947E-04    0.229192E+02 -0.200246E-05 0.100000E-04    0.999411E+00
 106   -0.582443E-05    0.217698E+02  0.267547E-06 0.100000E-04    0.963275E+00
 107    0.122873E-03    0.200539E+02 -0.612715E-05 0.100000E-04    0.994219E+00
 108    0.316471E-04    0.168241E+02 -0.188106E-05 0.100000E-04    0.999526E+00
 109    0.785502E-04    0.137708E+02 -0.570412E-05 0.100000E-04    0.994565E+00
 110    0.208288E-02    0.122855E+02 -0.100000E-04 0.100000E-04    0.633916E+00
 111    0.472859E-02    0.986677E+01 -0.100000E-04 0.100000E-04    0.767811E+00
 112    0.124818E-02    0.950255E+01 -0.100000E-04 0.100000E-04    0.216073E+00
 113    0.153015E-01    0.747170E+01 -0.118453E-04 0.118453E-04    0.214552E+00
 114    0.528261E+00    0.453854E+01  0.400000E-03 0.400000E-03    0.365081E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1148589384    

 Beginning of optimization cycle  259.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3732630718
 potential> RMS force:                                               0.0496689098   |gradient|=.5303188361    
 Eigenvalues of the Hessian matrix:
   729.07236    672.88843    626.07617    604.49362    588.92062    568.49082 
   566.29556    481.22941    466.67372    461.82265    441.33571    430.22990 
   421.48704    407.35996    397.73791    388.83724    367.46749    362.38069 
   351.36119    337.86605    325.18673    321.56422    319.63417    314.53569 
   304.63907    288.02733    279.15904    270.75273    266.29014    263.62714 
   258.73910    253.75708    242.59032    237.74984    235.68514    228.68717 
   221.61638    213.22327    211.91889    207.93366    203.38753    197.89887 
   195.46318    191.59103    185.00071    175.93462    171.42222    167.62824 
   165.42505    159.67355    153.64384    151.02382    149.08329    143.09413 
   136.99071    135.53049    130.78833    127.77977    126.06038    125.48742 
   119.60746    118.00323    116.88449    111.47834    108.56877    104.98245 
   103.00975     99.91157     96.44858     95.10755     92.03348     90.43305 
    89.73894     84.78892     80.91366     79.62594     78.39064     72.72835 
    71.89408     68.30579     67.43827     63.35435     60.83163     59.67303 
    58.98797     55.97414     53.05965     52.23548     50.17338     47.79215 
    43.01422     40.21318     37.13087     35.86344     35.42344     28.85482 
    28.72462     28.08273     22.91892     21.76574     20.05862     16.82418 
    13.77088     12.28463      9.86388      9.49618      7.46874      4.53489 
overlap for current and previous eigenvector    109 is         0.9999994149
overlap for current and previous eigenvector    110 is         0.9999993134
overlap for current and previous eigenvector    111 is         0.9998540329
overlap for current and previous eigenvector    112 is         0.9998514149
overlap for current and previous eigenvector    113 is         0.9999961026
overlap for current and previous eigenvector    114 is         0.9999996648
J1,K1,R1,R2,RAT=   7   7   -0.1148374646E-01     2.011315808        0.9885162535    
FOB,PFOB,DIAG,PSTEP=   -0.2332442600E-05   -0.2305959324E-05     729.0723611        0.3163133171E-08
J1,K1,R1,R2,RAT=   8   8   -0.1493623745E-02     2.001459589        0.9985063763    
FOB,PFOB,DIAG,PSTEP=   -0.3347417977E-05   -0.3342425565E-05     672.8884295        0.4967365018E-08
J1,K1,R1,R2,RAT=   9   9   -0.1632464648E-01     2.016281556        0.9836753535    
FOB,PFOB,DIAG,PSTEP=    0.4339090316E-06    0.4269392491E-06     626.0761651       -0.6819433027E-09
J1,K1,R1,R2,RAT=  10  10   -0.9695982934E-02     2.009701883        0.9903040171    
FOB,PFOB,DIAG,PSTEP=    0.1745889166E-05    0.1729123662E-05     604.4936227       -0.2860441361E-08
J1,K1,R1,R2,RAT=  11  11   -0.1793675633E-01     2.017964988        0.9820632437    
FOB,PFOB,DIAG,PSTEP=   -0.1161310606E-05   -0.1140847786E-05     588.9206228        0.1937156959E-08
J1,K1,R1,R2,RAT= 109 109    0.6835667533E-02     1.993149713        0.9931497130    
FOB,PFOB,DIAG,PSTEP=    0.7801328606E-04    0.7855023327E-04     13.77087869       -0.5704124569E-05
J1,K1,R1,R2,RAT= 110 110   -0.3786854953         34.28894495        0.6213145047    
FOB,PFOB,DIAG,PSTEP=    0.2129395519E-02    0.2082875397E-02     12.28463262       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1797400507         96.05668093        0.8202599493    
FOB,PFOB,DIAG,PSTEP=    0.4746320637E-02    0.4728591301E-02     9.863876044       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9262718772         27.21438021        0.7372812278E-01
FOB,PFOB,DIAG,PSTEP=    0.1336143697E-02    0.1248183238E-02     9.496181486       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9437802804         346.8618973        0.5621971959E-01
FOB,PFOB,DIAG,PSTEP=    0.1538503314E-01    0.1530153772E-01     7.468740083       -0.1184525511E-04
J1,K1,R1,R2,RAT= 114 114    0.9963980004        -583.4366975        0.3601999614E-02
FOB,PFOB,DIAG,PSTEP=    0.5300683202        0.5282608969         4.534893081        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00001     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002      0.00001      0.00001     -0.00002      0.00000     -0.00002 
     0.00002      0.00003     -0.00002     -0.00002     -0.00000      0.00003 
     0.00000     -0.00001      0.00000     -0.00002      0.00000      0.00004 
    -0.00002     -0.00003     -0.00005     -0.00003      0.00006      0.00000 
    -0.00002     -0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004     -0.00002     -0.00004     -0.00000     -0.00005      0.00002 
    -0.00000      0.00006     -0.00004     -0.00004     -0.00003     -0.00001 
    -0.00004     -0.00003     -0.00010     -0.00011     -0.00000     -0.00009 
    -0.00002      0.00006     -0.00005     -0.00001      0.00012      0.00003 
     0.00008      0.00213      0.00475      0.00134      0.01539      0.53007 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4344438831
 Log product of positive Hessian eigenvalues =          520.0598462310
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5348930815
 Unscaled step for mode    7=        0.0000000032
 Unscaled step for mode    8=        0.0000000050
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000011
 Unscaled step for mode   13=        0.0000000053
 Unscaled step for mode   14=        0.0000000085
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000095
 Unscaled step for mode   17=       -0.0000000080
 Unscaled step for mode   18=       -0.0000000109
 Unscaled step for mode   19=        0.0000000314
 Unscaled step for mode   20=       -0.0000000212
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000114
 Unscaled step for mode   23=        0.0000000011
 Unscaled step for mode   24=       -0.0000000004
 Unscaled step for mode   25=        0.0000000463
 Unscaled step for mode   26=        0.0000000803
 Unscaled step for mode   27=        0.0000000416
 Unscaled step for mode   28=       -0.0000000191
 Unscaled step for mode   29=       -0.0000000084
 Unscaled step for mode   30=        0.0000000711
 Unscaled step for mode   31=        0.0000000296
 Unscaled step for mode   32=        0.0000000139
 Unscaled step for mode   33=       -0.0000000329
 Unscaled step for mode   34=       -0.0000000236
 Unscaled step for mode   35=       -0.0000000836
 Unscaled step for mode   36=       -0.0000000434
 Unscaled step for mode   37=        0.0000000527
 Unscaled step for mode   38=        0.0000000127
 Unscaled step for mode   39=        0.0000000682
 Unscaled step for mode   40=       -0.0000000212
 Unscaled step for mode   41=        0.0000001161
 Unscaled step for mode   42=        0.0000000343
 Unscaled step for mode   43=       -0.0000000389
 Unscaled step for mode   44=        0.0000000758
 Unscaled step for mode   45=       -0.0000000089
 Unscaled step for mode   46=       -0.0000000801
 Unscaled step for mode   47=        0.0000001332
 Unscaled step for mode   48=       -0.0000000128
 Unscaled step for mode   49=        0.0000000954
 Unscaled step for mode   50=        0.0000000467
 Unscaled step for mode   51=        0.0000000663
 Unscaled step for mode   52=       -0.0000000073
 Unscaled step for mode   53=        0.0000000589
 Unscaled step for mode   54=        0.0000000669
 Unscaled step for mode   55=       -0.0000001112
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000400
 Unscaled step for mode   58=        0.0000001280
 Unscaled step for mode   59=       -0.0000000229
 Unscaled step for mode   60=        0.0000001256
 Unscaled step for mode   61=       -0.0000001323
 Unscaled step for mode   62=       -0.0000002267
 Unscaled step for mode   63=        0.0000001654
 Unscaled step for mode   64=        0.0000001205
 Unscaled step for mode   65=        0.0000000242
 Unscaled step for mode   66=       -0.0000002002
 Unscaled step for mode   67=       -0.0000000320
 Unscaled step for mode   68=        0.0000000683
 Unscaled step for mode   69=       -0.0000000311
 Unscaled step for mode   70=        0.0000001770
 Unscaled step for mode   71=       -0.0000000341
 Unscaled step for mode   72=       -0.0000004033
 Unscaled step for mode   73=        0.0000002068
 Unscaled step for mode   74=        0.0000002980
 Unscaled step for mode   75=        0.0000004873
 Unscaled step for mode   76=        0.0000002918
 Unscaled step for mode   77=       -0.0000006608
 Unscaled step for mode   78=       -0.0000000025
 Unscaled step for mode   79=        0.0000002163
 Unscaled step for mode   80=        0.0000002175
 Unscaled step for mode   81=        0.0000002230
 Unscaled step for mode   82=       -0.0000000943
 Unscaled step for mode   83=       -0.0000001758
 Unscaled step for mode   84=       -0.0000004074
 Unscaled step for mode   85=        0.0000005552
 Unscaled step for mode   86=        0.0000002200
 Unscaled step for mode   87=        0.0000005483
 Unscaled step for mode   88=        0.0000000117
 Unscaled step for mode   89=        0.0000007777
 Unscaled step for mode   90=       -0.0000003910
 Unscaled step for mode   91=        0.0000000058
 Unscaled step for mode   92=       -0.0000009948
 Unscaled step for mode   93=        0.0000006999
 Unscaled step for mode   94=        0.0000007208
 Unscaled step for mode   95=        0.0000006153
 Unscaled step for mode   96=        0.0000002250
 Unscaled step for mode   97=        0.0000008388
 Unscaled step for mode   98=        0.0000007790
 Unscaled step for mode   99=        0.0000027519
 Unscaled step for mode  100=        0.0000031992
 Unscaled step for mode  101=        0.0000001155
 Unscaled step for mode  102=        0.0000030121
 Unscaled step for mode  103=        0.0000005237
 Unscaled step for mode  104=       -0.0000021571
 Unscaled step for mode  105=        0.0000020182
 Unscaled step for mode  106=        0.0000002904
 Unscaled step for mode  107=       -0.0000061540
 Unscaled step for mode  108=       -0.0000018266
 Unscaled step for mode  109=       -0.0000056651
 Unscaled step for mode  110=       -0.0001733381
 Unscaled step for mode  111=       -0.0004811820
 Unscaled step for mode  112=       -0.0001407033
 Unscaled step for mode  113=       -0.0020599147
 Unscaled step for mode  114=        0.1153318590
 Largest modulus ratio of non-zero e/values=           160.7694709    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.173256E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.110285E-14    0.100730E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.254083E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.555764E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.927643E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.132015E-14    0.973779E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.233244E-05    0.729072E+03  0.319919E-08 0.100000E-04    0.988516E+00
   8   -0.334742E-05    0.672888E+03  0.497470E-08 0.100000E-04    0.998506E+00
   9    0.433909E-06    0.626076E+03 -0.693061E-09 0.100000E-04    0.983675E+00
  10    0.174589E-05    0.604494E+03 -0.288818E-08 0.100000E-04    0.990304E+00
  11   -0.116131E-05    0.588921E+03  0.197193E-08 0.100000E-04    0.982063E+00
  12    0.632955E-06    0.568491E+03 -0.111339E-08 0.100000E-04    0.987309E+00
  13   -0.297436E-05    0.566296E+03  0.525231E-08 0.100000E-04    0.994699E+00
  14   -0.406868E-05    0.481229E+03  0.845476E-08 0.100000E-04    0.995525E+00
  15    0.177463E-05    0.466674E+03 -0.380272E-08 0.100000E-04    0.998614E+00
  16    0.437280E-05    0.461823E+03 -0.946858E-08 0.100000E-04    0.992476E+00
  17    0.351350E-05    0.441336E+03 -0.796106E-08 0.100000E-04    0.985911E+00
  18    0.467906E-05    0.430230E+03 -0.108757E-07 0.100000E-04    0.992505E+00
  19   -0.132384E-04    0.421487E+03  0.314088E-07 0.100000E-04    0.995717E+00
  20    0.865302E-05    0.407360E+03 -0.212417E-07 0.100000E-04    0.996818E+00
  21    0.723444E-05    0.397738E+03 -0.181890E-07 0.100000E-04    0.996793E+00
  22   -0.442346E-05    0.388837E+03  0.113761E-07 0.100000E-04    0.995155E+00
  23   -0.401017E-06    0.367467E+03  0.109130E-08 0.100000E-04    0.943678E+00
  24    0.145929E-06    0.362381E+03 -0.402694E-09 0.100000E-04    0.947021E+00
  25   -0.162638E-04    0.351361E+03  0.462881E-07 0.100000E-04    0.995980E+00
  26   -0.271424E-04    0.337866E+03  0.803348E-07 0.100000E-04    0.996785E+00
  27   -0.135340E-04    0.325187E+03  0.416190E-07 0.100000E-04    0.995884E+00
  28    0.613262E-05    0.321564E+03 -0.190712E-07 0.100000E-04    0.978669E+00
  29    0.268639E-05    0.319634E+03 -0.840457E-08 0.100000E-04    0.978499E+00
  30   -0.223530E-04    0.314536E+03  0.710668E-07 0.100000E-04    0.998897E+00
  31   -0.902357E-05    0.304639E+03  0.296205E-07 0.100000E-04    0.994753E+00
  32   -0.400887E-05    0.288027E+03  0.139184E-07 0.100000E-04    0.999495E+00
  33    0.918857E-05    0.279159E+03 -0.329152E-07 0.100000E-04    0.995893E+00
  34    0.637813E-05    0.270753E+03 -0.235570E-07 0.100000E-04    0.991487E+00
  35    0.222627E-04    0.266290E+03 -0.836033E-07 0.100000E-04    0.999961E+00
  36    0.114506E-04    0.263627E+03 -0.434349E-07 0.100000E-04    0.994399E+00
  37   -0.136235E-04    0.258739E+03  0.526533E-07 0.100000E-04    0.994885E+00
  38   -0.321740E-05    0.253757E+03  0.126791E-07 0.100000E-04    0.997132E+00
  39   -0.165539E-04    0.242590E+03  0.682382E-07 0.100000E-04    0.997474E+00
  40    0.503750E-05    0.237750E+03 -0.211882E-07 0.100000E-04    0.961595E+00
  41   -0.273635E-04    0.235685E+03  0.116102E-06 0.100000E-04    0.994336E+00
  42   -0.784794E-05    0.228687E+03  0.343174E-07 0.100000E-04    0.999804E+00
  43    0.862796E-05    0.221616E+03 -0.389320E-07 0.100000E-04    0.995351E+00
  44   -0.161571E-04    0.213223E+03  0.757755E-07 0.100000E-04    0.996721E+00
  45    0.188401E-05    0.211919E+03 -0.889025E-08 0.100000E-04    0.993438E+00
  46    0.166567E-04    0.207934E+03 -0.801056E-07 0.100000E-04    0.995189E+00
  47   -0.270814E-04    0.203388E+03  0.133152E-06 0.100000E-04    0.998884E+00
  48    0.254186E-05    0.197899E+03 -0.128443E-07 0.100000E-04    0.986063E+00
  49   -0.186453E-04    0.195463E+03  0.953902E-07 0.100000E-04    0.996860E+00
  50   -0.894542E-05    0.191591E+03  0.466902E-07 0.100000E-04    0.990133E+00
  51   -0.122628E-04    0.185001E+03  0.662852E-07 0.100000E-04    0.995858E+00
  52    0.127921E-05    0.175935E+03 -0.727091E-08 0.100000E-04    0.983805E+00
  53   -0.101018E-04    0.171422E+03  0.589293E-07 0.100000E-04    0.994012E+00
  54   -0.112133E-04    0.167628E+03  0.668940E-07 0.100000E-04    0.992402E+00
  55    0.183951E-04    0.165425E+03 -0.111199E-06 0.100000E-04    0.998918E+00
  56    0.590805E-05    0.159674E+03 -0.370008E-07 0.100000E-04    0.994713E+00
  57    0.614520E-05    0.153644E+03 -0.399964E-07 0.100000E-04    0.984997E+00
  58   -0.193255E-04    0.151024E+03  0.127963E-06 0.100000E-04    0.995512E+00
  59    0.342052E-05    0.149083E+03 -0.229437E-07 0.100000E-04    0.983853E+00
  60   -0.179709E-04    0.143094E+03  0.125588E-06 0.100000E-04    0.995121E+00
  61    0.181284E-04    0.136991E+03 -0.132333E-06 0.100000E-04    0.990324E+00
  62    0.307203E-04    0.135530E+03 -0.226667E-06 0.100000E-04    0.998635E+00
  63   -0.216310E-04    0.130788E+03  0.165389E-06 0.100000E-04    0.995283E+00
  64   -0.153920E-04    0.127780E+03  0.120458E-06 0.100000E-04    0.989634E+00
  65   -0.305477E-05    0.126060E+03  0.242326E-07 0.100000E-04    0.937539E+00
  66    0.251241E-04    0.125487E+03 -0.200212E-06 0.100000E-04    0.997968E+00
  67    0.383316E-05    0.119607E+03 -0.320478E-07 0.100000E-04    0.997022E+00
  68   -0.805817E-05    0.118003E+03  0.682877E-07 0.100000E-04    0.995751E+00
  69    0.363990E-05    0.116884E+03 -0.311410E-07 0.100000E-04    0.984912E+00
  70   -0.197285E-04    0.111478E+03  0.176972E-06 0.100000E-04    0.999122E+00
  71    0.370406E-05    0.108569E+03 -0.341172E-07 0.100000E-04    0.999656E+00
  72    0.423346E-04    0.104982E+03 -0.403254E-06 0.100000E-04    0.994692E+00
  73   -0.213000E-04    0.103010E+03  0.206776E-06 0.100000E-04    0.994443E+00
  74   -0.297778E-04    0.999116E+02  0.298042E-06 0.100000E-04    0.998492E+00
  75   -0.469955E-04    0.964486E+02  0.487260E-06 0.100000E-04    0.992422E+00
  76   -0.277494E-04    0.951075E+02  0.291769E-06 0.100000E-04    0.997972E+00
  77    0.608165E-04    0.920335E+02 -0.660809E-06 0.100000E-04    0.997467E+00
  78    0.229503E-06    0.904331E+02 -0.253782E-08 0.100000E-04    0.893989E+00
  79   -0.194064E-04    0.897389E+02  0.216254E-06 0.100000E-04    0.991312E+00
  80   -0.184446E-04    0.847889E+02  0.217536E-06 0.100000E-04    0.994981E+00
  81   -0.180401E-04    0.809137E+02  0.222955E-06 0.100000E-04    0.997794E+00
  82    0.751075E-05    0.796259E+02 -0.943254E-07 0.100000E-04    0.990590E+00
  83    0.137792E-04    0.783906E+02 -0.175776E-06 0.100000E-04    0.996893E+00
  84    0.296283E-04    0.727283E+02 -0.407383E-06 0.100000E-04    0.993273E+00
  85   -0.399136E-04    0.718941E+02  0.555172E-06 0.100000E-04    0.993966E+00
  86   -0.150275E-04    0.683058E+02  0.220004E-06 0.100000E-04    0.980105E+00
  87   -0.369760E-04    0.674383E+02  0.548295E-06 0.100000E-04    0.993096E+00
  88   -0.742945E-06    0.633543E+02  0.117268E-07 0.100000E-04    0.935865E+00
  89   -0.473109E-04    0.608316E+02  0.777736E-06 0.100000E-04    0.994679E+00
  90    0.233344E-04    0.596730E+02 -0.391038E-06 0.100000E-04    0.991343E+00
  91   -0.342256E-06    0.589880E+02  0.580213E-08 0.100000E-04    0.918857E+00
  92    0.556837E-04    0.559741E+02 -0.994811E-06 0.100000E-04    0.997188E+00
  93   -0.371352E-04    0.530597E+02  0.699876E-06 0.100000E-04    0.999066E+00
  94   -0.376496E-04    0.522355E+02  0.720766E-06 0.100000E-04    0.995801E+00
  95   -0.308739E-04    0.501734E+02  0.615345E-06 0.100000E-04    0.997800E+00
  96   -0.107516E-04    0.477921E+02  0.224965E-06 0.100000E-04    0.993712E+00
  97   -0.360814E-04    0.430142E+02  0.838826E-06 0.100000E-04    0.991063E+00
  98   -0.313244E-04    0.402132E+02  0.778958E-06 0.100000E-04    0.992682E+00
  99   -0.102182E-03    0.371309E+02  0.275194E-05 0.100000E-04    0.993183E+00
 100   -0.114735E-03    0.358634E+02  0.319923E-05 0.100000E-04    0.999215E+00
 101   -0.409142E-05    0.354234E+02  0.115500E-06 0.100000E-04    0.882955E+00
 102   -0.869136E-04    0.288548E+02  0.301210E-05 0.100000E-04    0.995737E+00
 103   -0.150426E-04    0.287246E+02  0.523682E-06 0.100000E-04    0.975862E+00
 104    0.605770E-04    0.280827E+02 -0.215709E-05 0.100000E-04    0.996500E+00
 105   -0.462560E-04    0.229189E+02  0.201825E-05 0.100000E-04    0.992128E+00
 106   -0.632116E-05    0.217657E+02  0.290418E-06 0.100000E-04    0.914700E+00
 107    0.123441E-03    0.200586E+02 -0.615403E-05 0.100000E-04    0.995374E+00
 108    0.307314E-04    0.168242E+02 -0.182662E-05 0.100000E-04    0.971052E+00
 109    0.780133E-04    0.137709E+02 -0.566509E-05 0.100000E-04    0.993150E+00
 110    0.212940E-02    0.122846E+02 -0.100000E-04 0.100000E-04    0.621315E+00
 111    0.474632E-02    0.986388E+01 -0.100000E-04 0.100000E-04    0.820260E+00
 112    0.133614E-02    0.949618E+01 -0.109000E-04 0.109000E-04    0.737281E-01
 113    0.153850E-01    0.746874E+01 -0.129113E-04 0.129113E-04    0.562197E-01
 114    0.530068E+00    0.453489E+01  0.400000E-03 0.400000E-03    0.360200E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1153318590    

 Beginning of optimization cycle  260.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3730509629
 potential> RMS force:                                               0.0498382262   |gradient|=.5321266414    
 Eigenvalues of the Hessian matrix:
   729.13356    672.89979    626.08968    604.49172    588.91225    568.53186 
   566.30789    481.25246    466.65048    461.81450    441.33608    430.22170 
   421.49258    407.36927    397.73325    388.83796    367.47270    362.37135 
   351.35351    337.83734    325.19551    321.56268    319.64613    314.50728 
   304.63125    288.03409    279.15353    270.75053    266.29759    263.63672 
   258.74916    253.75969    242.58500    237.74927    235.68347    228.68596 
   221.59621    213.23057    211.92373    207.92318    203.39049    197.89429 
   195.46132    191.59058    184.99043    175.92165    171.42839    167.62563 
   165.42100    159.66517    153.64746    151.02662    149.07994    143.09678 
   136.99170    135.53541    130.78661    127.78267    126.06023    125.49108 
   119.60931    118.00408    116.88678    111.47153    108.55820    104.97913 
   103.01127     99.90905     96.44013     95.10647     92.04555     90.42990 
    89.74393     84.79165     80.91384     79.62879     78.38908     72.72826 
    71.89822     68.30519     67.42733     63.35330     60.82154     59.67370 
    58.98973     55.97534     53.05542     52.23593     50.17195     47.78955 
    43.01152     40.21552     37.13427     35.86887     35.41312     28.85410 
    28.72393     28.07444     22.91869     21.76169     20.06340     16.82429 
    13.77099     12.28381      9.86122      9.48969      7.46573      4.53122 
overlap for current and previous eigenvector    109 is         0.9999994231
overlap for current and previous eigenvector    110 is         0.9999993180
overlap for current and previous eigenvector    111 is         0.9998620885
overlap for current and previous eigenvector    112 is         0.9998593576
overlap for current and previous eigenvector    113 is        -0.9999960619
overlap for current and previous eigenvector    114 is        -0.9999996622
J1,K1,R1,R2,RAT=   7   7   -0.9645926960E-02     2.009478070        0.9903540730    
FOB,PFOB,DIAG,PSTEP=   -0.2354943059E-05   -0.2332442600E-05     729.1335561        0.3199192185E-08
J1,K1,R1,R2,RAT=   8   8   -0.9135781972E-02     2.009102016        0.9908642180    
FOB,PFOB,DIAG,PSTEP=   -0.3377999774E-05   -0.3347417977E-05     672.8997900        0.4974699860E-08
J1,K1,R1,R2,RAT=   9   9    0.4259996428E-01     1.957356875        0.9573568748    
FOB,PFOB,DIAG,PSTEP=    0.4154241234E-06    0.4339090316E-06     626.0896764       -0.6930610935E-09
J1,K1,R1,R2,RAT=  10  10    0.4745320090E-02     1.995260960        0.9952546799    
FOB,PFOB,DIAG,PSTEP=    0.1737604389E-05    0.1745889166E-05     604.4917245       -0.2888184590E-08
J1,K1,R1,R2,RAT=  11  11    0.1050512355E-01     1.989523306        0.9894948764    
FOB,PFOB,DIAG,PSTEP=   -0.1149111068E-05   -0.1161310606E-05     588.9122515        0.1971930616E-08
J1,K1,R1,R2,RAT= 109 109   -0.5460010188E-02     2.005444273        0.9945399898    
FOB,PFOB,DIAG,PSTEP=    0.7843924275E-04    0.7801328606E-04     13.77098704       -0.5665091375E-05
J1,K1,R1,R2,RAT= 110 110   -0.3751794495         35.04511834        0.6248205505    
FOB,PFOB,DIAG,PSTEP=    0.2175481867E-02    0.2129395519E-02     12.28381467       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1779953494         96.44035130        0.8220046506    
FOB,PFOB,DIAG,PSTEP=    0.4763873147E-02    0.4746320637E-02     9.861218521       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8015725710         26.63634731        0.1984274290    
FOB,PFOB,DIAG,PSTEP=    0.1419056449E-02    0.1336143697E-02     9.489689130       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     320.0329433       -0.8164922100        0.1835077900    
FOB,PFOB,DIAG,PSTEP=   -0.1546373685E-01    0.1538503314E-01     7.465729497       -0.1291132807E-04
J1,K1,R1,R2,RAT= 114 114    -585.9028604        0.9963184249        0.3681575148E-02
FOB,PFOB,DIAG,PSTEP=   -0.5318741364        0.5300683202         4.531222359        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002      0.00001      0.00001     -0.00002     -0.00000     -0.00002 
    -0.00002      0.00003     -0.00002     -0.00002     -0.00000     -0.00003 
     0.00000      0.00001     -0.00000     -0.00002      0.00000      0.00004 
    -0.00002     -0.00003     -0.00005      0.00003      0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001      0.00001      0.00003 
     0.00004      0.00001     -0.00004     -0.00000     -0.00005      0.00002 
    -0.00000      0.00006     -0.00004     -0.00004     -0.00003     -0.00001 
    -0.00004     -0.00003     -0.00010     -0.00011     -0.00000     -0.00009 
    -0.00001      0.00006     -0.00005     -0.00001      0.00012      0.00003 
     0.00008      0.00218      0.00476      0.00142     -0.01546     -0.53187 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4343479192
 Log product of positive Hessian eigenvalues =          520.0567415853
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5312223592
 Unscaled step for mode    7=        0.0000000032
 Unscaled step for mode    8=        0.0000000050
 Unscaled step for mode    9=       -0.0000000007
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000010
 Unscaled step for mode   13=        0.0000000053
 Unscaled step for mode   14=        0.0000000084
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000095
 Unscaled step for mode   17=       -0.0000000079
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000315
 Unscaled step for mode   20=       -0.0000000211
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000115
 Unscaled step for mode   23=        0.0000000010
 Unscaled step for mode   24=       -0.0000000003
 Unscaled step for mode   25=        0.0000000464
 Unscaled step for mode   26=        0.0000000806
 Unscaled step for mode   27=        0.0000000418
 Unscaled step for mode   28=       -0.0000000194
 Unscaled step for mode   29=       -0.0000000086
 Unscaled step for mode   30=        0.0000000713
 Unscaled step for mode   31=        0.0000000299
 Unscaled step for mode   32=        0.0000000141
 Unscaled step for mode   33=       -0.0000000330
 Unscaled step for mode   34=       -0.0000000237
 Unscaled step for mode   35=       -0.0000000839
 Unscaled step for mode   36=       -0.0000000439
 Unscaled step for mode   37=        0.0000000529
 Unscaled step for mode   38=        0.0000000126
 Unscaled step for mode   39=        0.0000000684
 Unscaled step for mode   40=       -0.0000000203
 Unscaled step for mode   41=        0.0000001172
 Unscaled step for mode   42=        0.0000000347
 Unscaled step for mode   43=       -0.0000000393
 Unscaled step for mode   44=        0.0000000765
 Unscaled step for mode   45=       -0.0000000087
 Unscaled step for mode   46=       -0.0000000806
 Unscaled step for mode   47=        0.0000001336
 Unscaled step for mode   48=       -0.0000000129
 Unscaled step for mode   49=        0.0000000959
 Unscaled step for mode   50=        0.0000000464
 Unscaled step for mode   51=        0.0000000666
 Unscaled step for mode   52=        0.0000000074
 Unscaled step for mode   53=       -0.0000000590
 Unscaled step for mode   54=        0.0000000674
 Unscaled step for mode   55=       -0.0000001115
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=       -0.0000000401
 Unscaled step for mode   58=        0.0000001284
 Unscaled step for mode   59=        0.0000000224
 Unscaled step for mode   60=        0.0000001259
 Unscaled step for mode   61=        0.0000001328
 Unscaled step for mode   62=       -0.0000002267
 Unscaled step for mode   63=        0.0000001653
 Unscaled step for mode   64=        0.0000001214
 Unscaled step for mode   65=        0.0000000249
 Unscaled step for mode   66=        0.0000002004
 Unscaled step for mode   67=       -0.0000000327
 Unscaled step for mode   68=       -0.0000000683
 Unscaled step for mode   69=        0.0000000312
 Unscaled step for mode   70=        0.0000001783
 Unscaled step for mode   71=       -0.0000000346
 Unscaled step for mode   72=       -0.0000004051
 Unscaled step for mode   73=        0.0000002076
 Unscaled step for mode   74=        0.0000002978
 Unscaled step for mode   75=        0.0000004906
 Unscaled step for mode   76=       -0.0000002909
 Unscaled step for mode   77=       -0.0000006608
 Unscaled step for mode   78=       -0.0000000018
 Unscaled step for mode   79=       -0.0000002142
 Unscaled step for mode   80=        0.0000002179
 Unscaled step for mode   81=        0.0000002238
 Unscaled step for mode   82=       -0.0000000923
 Unscaled step for mode   83=       -0.0000001761
 Unscaled step for mode   84=       -0.0000004085
 Unscaled step for mode   85=       -0.0000005549
 Unscaled step for mode   86=       -0.0000002150
 Unscaled step for mode   87=        0.0000005499
 Unscaled step for mode   88=        0.0000000137
 Unscaled step for mode   89=        0.0000007785
 Unscaled step for mode   90=       -0.0000003912
 Unscaled step for mode   91=        0.0000000054
 Unscaled step for mode   92=       -0.0000009963
 Unscaled step for mode   93=        0.0000006981
 Unscaled step for mode   94=        0.0000007232
 Unscaled step for mode   95=        0.0000006136
 Unscaled step for mode   96=        0.0000002256
 Unscaled step for mode   97=        0.0000008368
 Unscaled step for mode   98=        0.0000007812
 Unscaled step for mode   99=        0.0000027558
 Unscaled step for mode  100=        0.0000031888
 Unscaled step for mode  101=        0.0000001199
 Unscaled step for mode  102=        0.0000030186
 Unscaled step for mode  103=        0.0000005041
 Unscaled step for mode  104=       -0.0000021733
 Unscaled step for mode  105=        0.0000020169
 Unscaled step for mode  106=        0.0000002805
 Unscaled step for mode  107=       -0.0000061195
 Unscaled step for mode  108=       -0.0000018260
 Unscaled step for mode  109=       -0.0000056960
 Unscaled step for mode  110=       -0.0001771015
 Unscaled step for mode  111=       -0.0004830916
 Unscaled step for mode  112=       -0.0001495367
 Unscaled step for mode  113=        0.0020712873
 Unscaled step for mode  114=       -0.1158056605
 Largest modulus ratio of non-zero e/values=           160.9132146    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.212287E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.101460E-14    0.100729E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.349349E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.117528E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.361148E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.132243E-14    0.973780E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.235494E-05    0.729134E+03  0.322978E-08 0.100000E-04    0.990354E+00
   8   -0.337800E-05    0.672900E+03  0.502006E-08 0.100000E-04    0.990864E+00
   9    0.415424E-06    0.626090E+03 -0.663522E-09 0.100000E-04    0.957357E+00
  10    0.173760E-05    0.604492E+03 -0.287449E-08 0.100000E-04    0.995255E+00
  11   -0.114911E-05    0.588912E+03  0.195124E-08 0.100000E-04    0.989495E+00
  12    0.565529E-06    0.568532E+03 -0.994719E-09 0.100000E-04    0.893339E+00
  13   -0.298522E-05    0.566308E+03  0.527137E-08 0.100000E-04    0.996349E+00
  14   -0.402986E-05    0.481252E+03  0.837369E-08 0.100000E-04    0.990364E+00
  15    0.176939E-05    0.466650E+03 -0.379168E-08 0.100000E-04    0.997045E+00
  16    0.438975E-05    0.461814E+03 -0.950545E-08 0.100000E-04    0.996124E+00
  17    0.350271E-05    0.441336E+03 -0.793660E-08 0.100000E-04    0.996926E+00
  18    0.466086E-05    0.430222E+03 -0.108336E-07 0.100000E-04    0.996111E+00
  19   -0.132691E-04    0.421493E+03  0.314813E-07 0.100000E-04    0.997680E+00
  20    0.861451E-05    0.407369E+03 -0.211467E-07 0.100000E-04    0.995504E+00
  21    0.722357E-05    0.397733E+03 -0.181619E-07 0.100000E-04    0.998498E+00
  22   -0.447872E-05    0.388838E+03  0.115182E-07 0.100000E-04    0.987507E+00
  23   -0.358879E-06    0.367473E+03  0.976613E-09 0.100000E-04    0.894894E+00
  24    0.101474E-06    0.362371E+03 -0.280029E-09 0.100000E-04    0.695363E+00
  25   -0.163038E-04    0.351354E+03  0.464028E-07 0.100000E-04    0.997545E+00
  26   -0.272332E-04    0.337837E+03  0.806103E-07 0.100000E-04    0.996656E+00
  27   -0.135775E-04    0.325196E+03  0.417519E-07 0.100000E-04    0.996781E+00
  28    0.623541E-05    0.321563E+03 -0.193910E-07 0.100000E-04    0.983238E+00
  29    0.274310E-05    0.319646E+03 -0.858168E-08 0.100000E-04    0.978890E+00
  30   -0.224320E-04    0.314507E+03  0.713244E-07 0.100000E-04    0.996465E+00
  31   -0.910672E-05    0.304631E+03  0.298942E-07 0.100000E-04    0.990786E+00
  32   -0.406102E-05    0.288034E+03  0.140991E-07 0.100000E-04    0.986993E+00
  33    0.922253E-05    0.279154E+03 -0.330375E-07 0.100000E-04    0.996304E+00
  34    0.642098E-05    0.270751E+03 -0.237155E-07 0.100000E-04    0.993281E+00
  35    0.223296E-04    0.266298E+03 -0.838521E-07 0.100000E-04    0.996996E+00
  36    0.115607E-04    0.263637E+03 -0.438509E-07 0.100000E-04    0.990386E+00
  37   -0.136799E-04    0.258749E+03  0.528695E-07 0.100000E-04    0.995855E+00
  38   -0.319253E-05    0.253760E+03  0.125809E-07 0.100000E-04    0.992251E+00
  39   -0.165883E-04    0.242585E+03  0.683812E-07 0.100000E-04    0.997925E+00
  40    0.482849E-05    0.237749E+03 -0.203092E-07 0.100000E-04    0.958509E+00
  41   -0.276149E-04    0.235683E+03  0.117170E-06 0.100000E-04    0.990811E+00
  42   -0.793622E-05    0.228686E+03  0.347036E-07 0.100000E-04    0.988752E+00
  43    0.871407E-05    0.221596E+03 -0.393241E-07 0.100000E-04    0.990019E+00
  44   -0.163215E-04    0.213231E+03  0.765438E-07 0.100000E-04    0.989826E+00
  45    0.184922E-05    0.211924E+03 -0.872586E-08 0.100000E-04    0.981486E+00
  46    0.167634E-04    0.207923E+03 -0.806229E-07 0.100000E-04    0.993594E+00
  47   -0.271806E-04    0.203390E+03  0.133638E-06 0.100000E-04    0.996334E+00
  48    0.256178E-05    0.197894E+03 -0.129452E-07 0.100000E-04    0.992164E+00
  49   -0.187514E-04    0.195461E+03  0.959338E-07 0.100000E-04    0.994311E+00
  50   -0.889832E-05    0.191591E+03  0.464444E-07 0.100000E-04    0.994735E+00
  51   -0.123178E-04    0.184990E+03  0.665859E-07 0.100000E-04    0.995519E+00
  52   -0.130533E-05    0.175922E+03  0.741993E-08 0.100000E-04    0.979579E+00
  53    0.101159E-04    0.171428E+03 -0.590092E-07 0.100000E-04    0.998608E+00
  54   -0.112905E-04    0.167626E+03  0.673556E-07 0.100000E-04    0.993115E+00
  55    0.184386E-04    0.165421E+03 -0.111465E-06 0.100000E-04    0.997635E+00
  56    0.594483E-05    0.159665E+03 -0.372331E-07 0.100000E-04    0.993773E+00
  57    0.615538E-05    0.153647E+03 -0.400617E-07 0.100000E-04    0.998343E+00
  58   -0.193978E-04    0.151027E+03  0.128439E-06 0.100000E-04    0.996258E+00
  59   -0.334654E-05    0.149080E+03  0.224480E-07 0.100000E-04    0.978372E+00
  60   -0.180111E-04    0.143097E+03  0.125867E-06 0.100000E-04    0.997760E+00
  61   -0.181909E-04    0.136992E+03  0.132789E-06 0.100000E-04    0.996550E+00
  62    0.307275E-04    0.135535E+03 -0.226712E-06 0.100000E-04    0.999764E+00
  63   -0.216176E-04    0.130787E+03  0.165289E-06 0.100000E-04    0.999381E+00
  64   -0.155080E-04    0.127783E+03  0.121362E-06 0.100000E-04    0.992468E+00
  65   -0.313492E-05    0.126060E+03  0.248684E-07 0.100000E-04    0.973763E+00
  66   -0.251432E-04    0.125491E+03  0.200358E-06 0.100000E-04    0.999240E+00
  67    0.391469E-05    0.119609E+03 -0.327290E-07 0.100000E-04    0.978730E+00
  68    0.806471E-05    0.118004E+03 -0.683427E-07 0.100000E-04    0.999188E+00
  69   -0.364770E-05    0.116887E+03  0.312071E-07 0.100000E-04    0.997859E+00
  70   -0.198744E-04    0.111472E+03  0.178291E-06 0.100000E-04    0.992605E+00
  71    0.375666E-05    0.108558E+03 -0.346050E-07 0.100000E-04    0.985799E+00
  72    0.425268E-04    0.104979E+03 -0.405098E-06 0.100000E-04    0.995459E+00
  73   -0.213815E-04    0.103011E+03  0.207564E-06 0.100000E-04    0.996173E+00
  74   -0.297553E-04    0.999091E+02  0.297823E-06 0.100000E-04    0.999243E+00
  75   -0.473155E-04    0.964401E+02  0.490620E-06 0.100000E-04    0.993191E+00
  76    0.276683E-04    0.951065E+02 -0.290919E-06 0.100000E-04    0.997075E+00
  77    0.608275E-04    0.920455E+02 -0.660842E-06 0.100000E-04    0.999819E+00
  78    0.161106E-06    0.904299E+02 -0.178156E-08 0.100000E-04    0.701968E+00
  79    0.192224E-04    0.897439E+02 -0.214191E-06 0.100000E-04    0.990406E+00
  80   -0.184768E-04    0.847916E+02  0.217908E-06 0.100000E-04    0.998258E+00
  81   -0.181092E-04    0.809138E+02  0.223809E-06 0.100000E-04    0.996165E+00
  82    0.735314E-05    0.796288E+02 -0.923428E-07 0.100000E-04    0.978946E+00
  83    0.138069E-04    0.783891E+02 -0.176132E-06 0.100000E-04    0.997993E+00
  84    0.297114E-04    0.727283E+02 -0.408527E-06 0.100000E-04    0.997195E+00
  85    0.398960E-04    0.718982E+02 -0.554896E-06 0.100000E-04    0.999445E+00
  86    0.146879E-04    0.683052E+02 -0.215033E-06 0.100000E-04    0.977396E+00
  87   -0.370755E-04    0.674273E+02  0.549859E-06 0.100000E-04    0.997310E+00
  88   -0.866356E-06    0.633533E+02  0.136750E-07 0.100000E-04    0.833886E+00
  89   -0.473514E-04    0.608215E+02  0.778531E-06 0.100000E-04    0.999144E+00
  90    0.233423E-04    0.596737E+02 -0.391165E-06 0.100000E-04    0.999663E+00
  91   -0.319075E-06    0.589897E+02  0.540900E-08 0.100000E-04    0.932214E+00
  92    0.557696E-04    0.559753E+02 -0.996324E-06 0.100000E-04    0.998458E+00
  93   -0.370354E-04    0.530554E+02  0.698050E-06 0.100000E-04    0.997312E+00
  94   -0.377745E-04    0.522359E+02  0.723151E-06 0.100000E-04    0.996682E+00
  95   -0.307831E-04    0.501719E+02  0.613551E-06 0.100000E-04    0.997056E+00
  96   -0.107806E-04    0.477896E+02  0.225584E-06 0.100000E-04    0.997301E+00
  97   -0.359935E-04    0.430115E+02  0.836834E-06 0.100000E-04    0.997563E+00
  98   -0.314172E-04    0.402155E+02  0.781220E-06 0.100000E-04    0.997038E+00
  99   -0.102335E-03    0.371343E+02  0.275582E-05 0.100000E-04    0.998498E+00
 100   -0.114380E-03    0.358689E+02  0.318883E-05 0.100000E-04    0.996596E+00
 101   -0.424701E-05    0.354131E+02  0.119928E-06 0.100000E-04    0.961960E+00
 102   -0.870977E-04    0.288541E+02  0.301856E-05 0.100000E-04    0.997882E+00
 103   -0.144801E-04    0.287239E+02  0.504111E-06 0.100000E-04    0.962605E+00
 104    0.610131E-04    0.280744E+02 -0.217326E-05 0.100000E-04    0.992799E+00
 105   -0.462257E-04    0.229187E+02  0.201694E-05 0.100000E-04    0.999344E+00
 106   -0.610515E-05    0.217617E+02  0.280546E-06 0.100000E-04    0.965821E+00
 107    0.122777E-03    0.200634E+02 -0.611947E-05 0.100000E-04    0.994146E+00
 108    0.307218E-04    0.168243E+02 -0.182604E-05 0.100000E-04    0.999674E+00
 109    0.784392E-04    0.137710E+02 -0.569598E-05 0.100000E-04    0.994540E+00
 110    0.217548E-02    0.122838E+02 -0.100000E-04 0.100000E-04    0.624821E+00
 111    0.476387E-02    0.986122E+01 -0.100000E-04 0.100000E-04    0.822005E+00
 112    0.141906E-02    0.948969E+01 -0.118810E-04 0.118810E-04    0.198427E+00
 113   -0.154637E-01    0.746573E+01  0.140733E-04 0.140733E-04    0.183508E+00
 114   -0.531874E+00    0.453122E+01 -0.400000E-03 0.400000E-03    0.368158E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1158056605    

 Beginning of optimization cycle  261.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3728381537
 potential> RMS force:                                               0.0500073763   |gradient|=.5339326694    
 Eigenvalues of the Hessian matrix:
   729.19477    672.91107    626.10324    604.48971    588.90382    568.57305 
   566.31992    481.27553    466.62721    461.80638    441.33648    430.21361 
   421.49806    407.37848    397.72856    388.83858    367.47798    362.36200 
   351.34583    337.80879    325.20438    321.56112    319.65801    314.47887 
   304.62339    288.04086    279.14805    270.74841    266.30509    263.64634 
   258.75933    253.76229    242.57972    237.74904    235.68157    228.68474 
   221.57603    213.23794    211.92860    207.91274    203.39343    197.88968 
   195.45945    191.59013    184.98017    175.90868    171.43459    167.62307 
   165.41691    159.65676    153.65113    151.02945    149.07647    143.09940 
   136.99271    135.54034    130.78485    127.78562    126.06003    125.49467 
   119.61117    118.00493    116.88905    111.46473    108.54763    104.97579 
   103.01281     99.90654     96.43163     95.10535     92.05764     90.42684 
    89.74880     84.79441     80.91403     79.63164     78.38751     72.72818 
    71.90231     68.30460     67.41629     63.35225     60.81141     59.67439 
    58.99149     55.97653     53.05117     52.23636     50.17052     47.78691 
    43.00887     40.21783     37.13770     35.87425     35.40274     28.85340 
    28.72323     28.06617     22.91851     21.75758     20.06818     16.82439 
    13.77110     12.28300      9.85879      9.48309      7.46267      4.52753 
overlap for current and previous eigenvector    109 is        -0.9999994321
overlap for current and previous eigenvector    110 is         0.9999993233
overlap for current and previous eigenvector    111 is         0.9998703919
overlap for current and previous eigenvector    112 is         0.9998675564
overlap for current and previous eigenvector    113 is         0.9999960237
overlap for current and previous eigenvector    114 is         0.9999996587
J1,K1,R1,R2,RAT=   7   7   -0.9488822917E-02     2.009320925        0.9905111771    
FOB,PFOB,DIAG,PSTEP=   -0.2377290573E-05   -0.2354943059E-05     729.1947712        0.3229782856E-08
J1,K1,R1,R2,RAT=   8   8   -0.9361260252E-02     2.009327721        0.9906387397    
FOB,PFOB,DIAG,PSTEP=   -0.3409622639E-05   -0.3377999774E-05     672.9110746        0.5020063646E-08
J1,K1,R1,R2,RAT=   9   9    0.4814190013E-01     1.951814774        0.9518147744    
FOB,PFOB,DIAG,PSTEP=    0.3954243835E-06    0.4154241234E-06     626.1032395       -0.6635217591E-09
J1,K1,R1,R2,RAT=  10  10    0.4311825284E-02     1.995694851        0.9956881747    
FOB,PFOB,DIAG,PSTEP=    0.1730112168E-05    0.1737604389E-05     604.4897066       -0.2874488299E-08
J1,K1,R1,R2,RAT=  11  11    0.1168938531E-01     1.988339252        0.9883106147    
FOB,PFOB,DIAG,PSTEP=   -0.1135678859E-05   -0.1149111068E-05     588.9038192        0.1951243272E-08
J1,K1,R1,R2,RAT= 109 109     2.006484259       -0.6501226035E-02    0.9934987740    
FOB,PFOB,DIAG,PSTEP=   -0.7894919833E-04    0.7843924275E-04     13.77110387       -0.5695978255E-05
J1,K1,R1,R2,RAT= 110 110   -0.3707841665         35.79341887        0.6292158335    
FOB,PFOB,DIAG,PSTEP=    0.2221025302E-02    0.2175481867E-02     12.28300427       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1813996330         96.82355165        0.8186003670    
FOB,PFOB,DIAG,PSTEP=    0.4781756955E-02    0.4763873147E-02     9.858789457       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6887894796         25.87870138        0.3112105204    
FOB,PFOB,DIAG,PSTEP=    0.1496661417E-02    0.1419056449E-02     9.483093289       -0.1188100000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7036764810         295.1817950        0.2963235190    
FOB,PFOB,DIAG,PSTEP=   -0.1553764026E-01   -0.1546373685E-01     7.462665957        0.1407334760E-04
J1,K1,R1,R2,RAT= 114 114    0.9962260610        -588.3743423        0.3773938992E-02
FOB,PFOB,DIAG,PSTEP=   -0.5336783128       -0.5318741364         4.527527683       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
    -0.00002      0.00003     -0.00002     -0.00002     -0.00000     -0.00003 
     0.00000      0.00001     -0.00000     -0.00002     -0.00000      0.00004 
    -0.00002     -0.00003     -0.00005      0.00003      0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001      0.00001      0.00003 
     0.00004      0.00001      0.00004      0.00000      0.00005      0.00002 
    -0.00000      0.00006     -0.00004     -0.00004     -0.00003     -0.00001 
    -0.00004     -0.00003     -0.00010     -0.00011     -0.00000     -0.00009 
    -0.00001      0.00006     -0.00005     -0.00001     -0.00012     -0.00003 
    -0.00008      0.00222      0.00478      0.00150     -0.01554     -0.53368 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4342508773
 Log product of positive Hessian eigenvalues =          520.0536321517
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5275276832
 Unscaled step for mode    7=        0.0000000033
 Unscaled step for mode    8=        0.0000000051
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000009
 Unscaled step for mode   13=        0.0000000053
 Unscaled step for mode   14=        0.0000000083
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000095
 Unscaled step for mode   17=       -0.0000000079
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000315
 Unscaled step for mode   20=       -0.0000000210
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000117
 Unscaled step for mode   23=        0.0000000009
 Unscaled step for mode   24=       -0.0000000002
 Unscaled step for mode   25=        0.0000000465
 Unscaled step for mode   26=        0.0000000809
 Unscaled step for mode   27=        0.0000000419
 Unscaled step for mode   28=       -0.0000000197
 Unscaled step for mode   29=       -0.0000000088
 Unscaled step for mode   30=        0.0000000716
 Unscaled step for mode   31=        0.0000000302
 Unscaled step for mode   32=        0.0000000143
 Unscaled step for mode   33=       -0.0000000332
 Unscaled step for mode   34=       -0.0000000239
 Unscaled step for mode   35=       -0.0000000841
 Unscaled step for mode   36=       -0.0000000443
 Unscaled step for mode   37=        0.0000000531
 Unscaled step for mode   38=        0.0000000125
 Unscaled step for mode   39=        0.0000000685
 Unscaled step for mode   40=       -0.0000000194
 Unscaled step for mode   41=        0.0000001183
 Unscaled step for mode   42=        0.0000000351
 Unscaled step for mode   43=       -0.0000000397
 Unscaled step for mode   44=        0.0000000773
 Unscaled step for mode   45=       -0.0000000085
 Unscaled step for mode   46=       -0.0000000812
 Unscaled step for mode   47=        0.0000001342
 Unscaled step for mode   48=       -0.0000000130
 Unscaled step for mode   49=        0.0000000965
 Unscaled step for mode   50=        0.0000000462
 Unscaled step for mode   51=        0.0000000669
 Unscaled step for mode   52=        0.0000000076
 Unscaled step for mode   53=       -0.0000000591
 Unscaled step for mode   54=        0.0000000678
 Unscaled step for mode   55=       -0.0000001118
 Unscaled step for mode   56=        0.0000000375
 Unscaled step for mode   57=       -0.0000000401
 Unscaled step for mode   58=        0.0000001289
 Unscaled step for mode   59=        0.0000000219
 Unscaled step for mode   60=        0.0000001261
 Unscaled step for mode   61=        0.0000001332
 Unscaled step for mode   62=       -0.0000002268
 Unscaled step for mode   63=        0.0000001651
 Unscaled step for mode   64=        0.0000001223
 Unscaled step for mode   65=        0.0000000255
 Unscaled step for mode   66=        0.0000002005
 Unscaled step for mode   67=       -0.0000000335
 Unscaled step for mode   68=       -0.0000000684
 Unscaled step for mode   69=        0.0000000313
 Unscaled step for mode   70=        0.0000001797
 Unscaled step for mode   71=        0.0000000351
 Unscaled step for mode   72=       -0.0000004070
 Unscaled step for mode   73=        0.0000002084
 Unscaled step for mode   74=        0.0000002976
 Unscaled step for mode   75=        0.0000004940
 Unscaled step for mode   76=       -0.0000002900
 Unscaled step for mode   77=       -0.0000006609
 Unscaled step for mode   78=       -0.0000000010
 Unscaled step for mode   79=       -0.0000002122
 Unscaled step for mode   80=        0.0000002182
 Unscaled step for mode   81=        0.0000002247
 Unscaled step for mode   82=       -0.0000000904
 Unscaled step for mode   83=       -0.0000001764
 Unscaled step for mode   84=       -0.0000004097
 Unscaled step for mode   85=       -0.0000005545
 Unscaled step for mode   86=       -0.0000002102
 Unscaled step for mode   87=       -0.0000005510
 Unscaled step for mode   88=       -0.0000000158
 Unscaled step for mode   89=       -0.0000007789
 Unscaled step for mode   90=       -0.0000003911
 Unscaled step for mode   91=        0.0000000051
 Unscaled step for mode   92=       -0.0000009978
 Unscaled step for mode   93=        0.0000006961
 Unscaled step for mode   94=        0.0000007257
 Unscaled step for mode   95=        0.0000006119
 Unscaled step for mode   96=        0.0000002263
 Unscaled step for mode   97=        0.0000008343
 Unscaled step for mode   98=        0.0000007837
 Unscaled step for mode   99=        0.0000027591
 Unscaled step for mode  100=        0.0000031780
 Unscaled step for mode  101=        0.0000001229
 Unscaled step for mode  102=        0.0000030250
 Unscaled step for mode  103=        0.0000004845
 Unscaled step for mode  104=       -0.0000021905
 Unscaled step for mode  105=        0.0000020136
 Unscaled step for mode  106=        0.0000002689
 Unscaled step for mode  107=        0.0000060825
 Unscaled step for mode  108=        0.0000018326
 Unscaled step for mode  109=        0.0000057330
 Unscaled step for mode  110=       -0.0001808210
 Unscaled step for mode  111=       -0.0004850246
 Unscaled step for mode  112=       -0.0001578242
 Unscaled step for mode  113=        0.0020820405
 Unscaled step for mode  114=       -0.1162803244
 Largest modulus ratio of non-zero e/values=           161.0580481    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.544269E-16    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.924391E-15    0.100729E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.475326E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.568122E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.892136E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.128340E-14    0.973782E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.237729E-05    0.729195E+03  0.326016E-08 0.100000E-04    0.990511E+00
   8   -0.340962E-05    0.672911E+03  0.506697E-08 0.100000E-04    0.990639E+00
   9    0.395424E-06    0.626103E+03 -0.631564E-09 0.100000E-04    0.951815E+00
  10    0.173011E-05    0.604490E+03 -0.286210E-08 0.100000E-04    0.995688E+00
  11   -0.113568E-05    0.588904E+03  0.192846E-08 0.100000E-04    0.988311E+00
  12    0.494867E-06    0.568573E+03 -0.870366E-09 0.100000E-04    0.874915E+00
  13   -0.299568E-05    0.566320E+03  0.528973E-08 0.100000E-04    0.996496E+00
  14   -0.398833E-05    0.481276E+03  0.828700E-08 0.100000E-04    0.989599E+00
  15    0.176301E-05    0.466627E+03 -0.377820E-08 0.100000E-04    0.996395E+00
  16    0.440625E-05    0.461806E+03 -0.954133E-08 0.100000E-04    0.996243E+00
  17    0.349361E-05    0.441336E+03 -0.791598E-08 0.100000E-04    0.997401E+00
  18    0.463778E-05    0.430214E+03 -0.107802E-07 0.100000E-04    0.995048E+00
  19   -0.132981E-04    0.421498E+03  0.315496E-07 0.100000E-04    0.997816E+00
  20    0.857396E-05    0.407378E+03 -0.210467E-07 0.100000E-04    0.995248E+00
  21    0.721085E-05    0.397729E+03 -0.181301E-07 0.100000E-04    0.998238E+00
  22   -0.453730E-05    0.388839E+03  0.116689E-07 0.100000E-04    0.986920E+00
  23   -0.314534E-06    0.367478E+03  0.855927E-09 0.100000E-04    0.876410E+00
  24    0.567020E-07    0.362362E+03 -0.156479E-09 0.100000E-04    0.558770E+00
  25   -0.163421E-04    0.351346E+03  0.465129E-07 0.100000E-04    0.997649E+00
  26   -0.273206E-04    0.337809E+03  0.808758E-07 0.100000E-04    0.996790E+00
  27   -0.136196E-04    0.325204E+03  0.418800E-07 0.100000E-04    0.996904E+00
  28    0.633367E-05    0.321561E+03 -0.196966E-07 0.100000E-04    0.984242E+00
  29    0.279891E-05    0.319658E+03 -0.875595E-08 0.100000E-04    0.979655E+00
  30   -0.225184E-04    0.314479E+03  0.716055E-07 0.100000E-04    0.996149E+00
  31   -0.918723E-05    0.304623E+03  0.301593E-07 0.100000E-04    0.991158E+00
  32   -0.411977E-05    0.288041E+03  0.143027E-07 0.100000E-04    0.985533E+00
  33    0.925617E-05    0.279148E+03 -0.331587E-07 0.100000E-04    0.996352E+00
  34    0.646378E-05    0.270748E+03 -0.238738E-07 0.100000E-04    0.993333E+00
  35    0.224039E-04    0.266305E+03 -0.841289E-07 0.100000E-04    0.996671E+00
  36    0.116836E-04    0.263646E+03 -0.443153E-07 0.100000E-04    0.989375E+00
  37   -0.137351E-04    0.258759E+03  0.530804E-07 0.100000E-04    0.995971E+00
  38   -0.317053E-05    0.253762E+03  0.124941E-07 0.100000E-04    0.993086E+00
  39   -0.166213E-04    0.242580E+03  0.685189E-07 0.100000E-04    0.998009E+00
  40    0.461501E-05    0.237749E+03 -0.194113E-07 0.100000E-04    0.955788E+00
  41   -0.278714E-04    0.235682E+03  0.118259E-06 0.100000E-04    0.990714E+00
  42   -0.803389E-05    0.228685E+03  0.351309E-07 0.100000E-04    0.987692E+00
  43    0.880233E-05    0.221576E+03 -0.397260E-07 0.100000E-04    0.989871E+00
  44   -0.164934E-04    0.213238E+03  0.773476E-07 0.100000E-04    0.989465E+00
  45    0.180963E-05    0.211929E+03 -0.853888E-08 0.100000E-04    0.978549E+00
  46    0.168740E-04    0.207913E+03 -0.811592E-07 0.100000E-04    0.993398E+00
  47   -0.272853E-04    0.203393E+03  0.134150E-06 0.100000E-04    0.996150E+00
  48    0.257794E-05    0.197890E+03 -0.130271E-07 0.100000E-04    0.993693E+00
  49   -0.188592E-04    0.195459E+03  0.964865E-07 0.100000E-04    0.994248E+00
  50   -0.884391E-05    0.191590E+03  0.461606E-07 0.100000E-04    0.993885E+00
  51   -0.123717E-04    0.184980E+03  0.668811E-07 0.100000E-04    0.995622E+00
  52   -0.133230E-05    0.175909E+03  0.757382E-08 0.100000E-04    0.979334E+00
  53    0.101251E-04    0.171435E+03 -0.590612E-07 0.100000E-04    0.999083E+00
  54   -0.113699E-04    0.167623E+03  0.678302E-07 0.100000E-04    0.992969E+00
  55    0.184879E-04    0.165417E+03 -0.111766E-06 0.100000E-04    0.997326E+00
  56   -0.598809E-05    0.159657E+03  0.375060E-07 0.100000E-04    0.992723E+00
  57    0.616605E-05    0.153651E+03 -0.401302E-07 0.100000E-04    0.998266E+00
  58   -0.194734E-04    0.151029E+03  0.128938E-06 0.100000E-04    0.996103E+00
  59   -0.327026E-05    0.149076E+03  0.219368E-07 0.100000E-04    0.977204E+00
  60   -0.180500E-04    0.143099E+03  0.126136E-06 0.100000E-04    0.997845E+00
  61   -0.182517E-04    0.136993E+03  0.133231E-06 0.100000E-04    0.996659E+00
  62    0.307351E-04    0.135540E+03 -0.226760E-06 0.100000E-04    0.999752E+00
  63   -0.215985E-04    0.130785E+03  0.165146E-06 0.100000E-04    0.999119E+00
  64   -0.156225E-04    0.127786E+03  0.122256E-06 0.100000E-04    0.992615E+00
  65   -0.321517E-05    0.126060E+03  0.255051E-07 0.100000E-04    0.974398E+00
  66   -0.251599E-04    0.125495E+03  0.200485E-06 0.100000E-04    0.999336E+00
  67    0.400622E-05    0.119611E+03 -0.334937E-07 0.100000E-04    0.976619E+00
  68    0.807269E-05    0.118005E+03 -0.684098E-07 0.100000E-04    0.999011E+00
  69   -0.365620E-05    0.116889E+03  0.312792E-07 0.100000E-04    0.997670E+00
  70   -0.200260E-04    0.111465E+03  0.179662E-06 0.100000E-04    0.992373E+00
  71   -0.381029E-05    0.108548E+03  0.351025E-07 0.100000E-04    0.985720E+00
  72    0.427205E-04    0.104976E+03 -0.406956E-06 0.100000E-04    0.995444E+00
  73   -0.214641E-04    0.103013E+03  0.208364E-06 0.100000E-04    0.996134E+00
  74   -0.297368E-04    0.999065E+02  0.297646E-06 0.100000E-04    0.999379E+00
  75   -0.476400E-04    0.964316E+02  0.494029E-06 0.100000E-04    0.993141E+00
  76    0.275850E-04    0.951053E+02 -0.290047E-06 0.100000E-04    0.996991E+00
  77    0.608370E-04    0.920576E+02 -0.660857E-06 0.100000E-04    0.999845E+00
  78    0.874739E-07    0.904268E+02 -0.967344E-09 0.100000E-04    0.542943E+00
  79    0.190492E-04    0.897488E+02 -0.212250E-06 0.100000E-04    0.990882E+00
  80   -0.185037E-04    0.847944E+02  0.218218E-06 0.100000E-04    0.998544E+00
  81   -0.181827E-04    0.809140E+02  0.224716E-06 0.100000E-04    0.995945E+00
  82    0.719699E-05    0.796316E+02 -0.903786E-07 0.100000E-04    0.978693E+00
  83    0.138283E-04    0.783875E+02 -0.176410E-06 0.100000E-04    0.998443E+00
  84    0.297992E-04    0.727282E+02 -0.409733E-06 0.100000E-04    0.997047E+00
  85    0.398693E-04    0.719023E+02 -0.554493E-06 0.100000E-04    0.999217E+00
  86    0.143552E-04    0.683046E+02 -0.210164E-06 0.100000E-04    0.977349E+00
  87    0.371490E-04    0.674163E+02 -0.551039E-06 0.100000E-04    0.998018E+00
  88    0.998339E-06    0.633523E+02 -0.157585E-07 0.100000E-04    0.847655E+00
  89    0.473688E-04    0.608114E+02 -0.778946E-06 0.100000E-04    0.999633E+00
  90    0.233411E-04    0.596744E+02 -0.391141E-06 0.100000E-04    0.999927E+00
  91   -0.303394E-06    0.589915E+02  0.514302E-08 0.100000E-04    0.950796E+00
  92    0.558538E-04    0.559765E+02 -0.997808E-06 0.100000E-04    0.998489E+00
  93   -0.369279E-04    0.530512E+02  0.696081E-06 0.100000E-04    0.997099E+00
  94   -0.379096E-04    0.522364E+02  0.725732E-06 0.100000E-04    0.996423E+00
  95   -0.306990E-04    0.501705E+02  0.611893E-06 0.100000E-04    0.997269E+00
  96   -0.108146E-04    0.477869E+02  0.226309E-06 0.100000E-04    0.996842E+00
  97   -0.358818E-04    0.430089E+02  0.834287E-06 0.100000E-04    0.996895E+00
  98   -0.315184E-04    0.402178E+02  0.783693E-06 0.100000E-04    0.996777E+00
  99   -0.102466E-03    0.371377E+02  0.275908E-05 0.100000E-04    0.998727E+00
 100   -0.114010E-03    0.358743E+02  0.317803E-05 0.100000E-04    0.996465E+00
 101   -0.435105E-05    0.354027E+02  0.122902E-06 0.100000E-04    0.975494E+00
 102   -0.872826E-04    0.288534E+02  0.302503E-05 0.100000E-04    0.997878E+00
 103   -0.139150E-04    0.287232E+02  0.484453E-06 0.100000E-04    0.960979E+00
 104    0.614800E-04    0.280662E+02 -0.219054E-05 0.100000E-04    0.992346E+00
 105   -0.461483E-04    0.229185E+02  0.201358E-05 0.100000E-04    0.998326E+00
 106   -0.585014E-05    0.217576E+02  0.268878E-06 0.100000E-04    0.958222E+00
 107   -0.122065E-03    0.200682E+02  0.608253E-05 0.100000E-04    0.993724E+00
 108   -0.308318E-04    0.168244E+02  0.183256E-05 0.100000E-04    0.996422E+00
 109   -0.789492E-04    0.137711E+02  0.573296E-05 0.100000E-04    0.993499E+00
 110    0.222103E-02    0.122830E+02 -0.100000E-04 0.100000E-04    0.629216E+00
 111    0.478176E-02    0.985879E+01 -0.100000E-04 0.100000E-04    0.818600E+00
 112    0.149666E-02    0.948309E+01 -0.107036E-04 0.107036E-04    0.311211E+00
 113   -0.155376E-01    0.746267E+01  0.126787E-04 0.126787E-04    0.296324E+00
 114   -0.533678E+00    0.452753E+01 -0.400000E-03 0.400000E-03    0.377394E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1162803244    

 Beginning of optimization cycle  262.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3726246025
 potential> RMS force:                                               0.0501764158   |gradient|=.5357375178    
 Eigenvalues of the Hessian matrix:
   729.25607    672.92234    626.11669    604.48764    588.89537    568.61423 
   566.33200    481.29867    466.60397    461.79826    441.33685    430.20539 
   421.50359    407.38777    397.72387    388.83926    367.48324    362.35266 
   351.33815    337.78031    325.21323    321.55959    319.66983    314.45048 
   304.61545    288.04772    279.14254    270.74632    266.31261    263.65587 
   258.76948    253.76489    242.57446    237.74906    235.67933    228.68345 
   221.55584    213.24528    211.93346    207.90239    203.39637    197.88505 
   195.45752    191.58964    184.96988    175.89578    171.44075    167.62054 
   165.41278    159.64830    153.65481    151.03238    149.07293    143.10205 
   136.99372    135.54522    130.78314    127.78859    126.05987    125.49824 
   119.61302    118.00580    116.89133    111.45796    108.53712    104.97249 
   103.01431     99.90406     96.42315     95.10419     92.06976     90.42388 
    89.75351     84.79713     80.91420     79.63447     78.38596     72.72816 
    71.90648     68.30406     67.40520     63.35116     60.80133     59.67509 
    58.99322     55.97772     53.04695     52.23684     50.16908     47.78428 
    43.00622     40.22018     37.14116     35.87961     35.39235     28.85269 
    28.72252     28.05788     22.91837     21.75343     20.07297     16.82450 
    13.77122     12.28221      9.85654      9.47626      7.45958      4.52382 
overlap for current and previous eigenvector    109 is         0.9999994325
overlap for current and previous eigenvector    110 is         0.9999993275
overlap for current and previous eigenvector    111 is         0.9998749759
overlap for current and previous eigenvector    112 is         0.9998720026
overlap for current and previous eigenvector    113 is        -0.9999959657
overlap for current and previous eigenvector    114 is        -0.9999996651
J1,K1,R1,R2,RAT=   7   7   -0.1127032635E-01     2.011102210        0.9887296736    
FOB,PFOB,DIAG,PSTEP=   -0.2404085666E-05   -0.2377290573E-05     729.2560710        0.3260158557E-08
J1,K1,R1,R2,RAT=   8   8   -0.1269788587E-02     2.001236300        0.9987302114    
FOB,PFOB,DIAG,PSTEP=   -0.3413952211E-05   -0.3409622639E-05     672.9223423        0.5066973583E-08
J1,K1,R1,R2,RAT=   9   9   -0.2861708927E-01     2.028574121        0.9713829107    
FOB,PFOB,DIAG,PSTEP=    0.4067405215E-06    0.3954243835E-06     626.1166911       -0.6315641871E-09
J1,K1,R1,R2,RAT=  10  10   -0.1008025800E-01     2.010087096        0.9899197420    
FOB,PFOB,DIAG,PSTEP=    0.1747552085E-05    0.1730112168E-05     604.4876399       -0.2862103604E-08
J1,K1,R1,R2,RAT=  11  11   -0.2174902778E-01     2.021777732        0.9782509722    
FOB,PFOB,DIAG,PSTEP=   -0.1160378415E-05   -0.1135678859E-05     588.8953674        0.1928462376E-08
J1,K1,R1,R2,RAT= 109 109    0.8679480096E-02     1.991303032        0.9913030321    
FOB,PFOB,DIAG,PSTEP=   -0.7826395434E-04   -0.7894919833E-04     13.77122429        0.5732960775E-05
J1,K1,R1,R2,RAT= 110 110   -0.3844157573         36.55095454        0.6155842427    
FOB,PFOB,DIAG,PSTEP=    0.2268240057E-02    0.2221025302E-02     12.28221100       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1270485603         97.15417528        0.8729514397    
FOB,PFOB,DIAG,PSTEP=    0.4794279543E-02    0.4781756955E-02     9.856536243       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8434031248         30.35457795        0.1565968752    
FOB,PFOB,DIAG,PSTEP=    0.1582207921E-02    0.1496661417E-02     9.476261629       -0.1070360360E-04
J1,K1,R1,R2,RAT= 113 113     329.4154413       -0.8465011518        0.1534988482    
FOB,PFOB,DIAG,PSTEP=    0.1561770035E-01   -0.1553764026E-01     7.459575520        0.1267869153E-04
J1,K1,R1,R2,RAT= 114 114    -590.8499505        0.9962931997        0.3706800262E-02
FOB,PFOB,DIAG,PSTEP=    0.5354811331       -0.5336783128         4.523819648       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000     -0.00002 
    -0.00002      0.00003      0.00002      0.00002     -0.00000     -0.00003 
     0.00000      0.00001     -0.00000     -0.00002     -0.00000      0.00004 
    -0.00002     -0.00003     -0.00005      0.00003     -0.00006      0.00000 
     0.00002     -0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004      0.00001      0.00004     -0.00000      0.00005      0.00002 
     0.00000     -0.00006     -0.00004      0.00004     -0.00003     -0.00001 
    -0.00004     -0.00003     -0.00010      0.00011     -0.00000     -0.00009 
    -0.00001      0.00006      0.00005      0.00001     -0.00012     -0.00003 
    -0.00008      0.00227      0.00479      0.00158      0.01562      0.53548 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4341536917
 Log product of positive Hessian eigenvalues =          520.0505098282
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5238196478
 Unscaled step for mode    7=        0.0000000033
 Unscaled step for mode    8=        0.0000000051
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000009
 Unscaled step for mode   13=        0.0000000053
 Unscaled step for mode   14=        0.0000000083
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000096
 Unscaled step for mode   17=       -0.0000000080
 Unscaled step for mode   18=       -0.0000000109
 Unscaled step for mode   19=        0.0000000317
 Unscaled step for mode   20=       -0.0000000211
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000117
 Unscaled step for mode   23=        0.0000000009
 Unscaled step for mode   24=       -0.0000000002
 Unscaled step for mode   25=        0.0000000467
 Unscaled step for mode   26=        0.0000000811
 Unscaled step for mode   27=        0.0000000421
 Unscaled step for mode   28=       -0.0000000201
 Unscaled step for mode   29=       -0.0000000089
 Unscaled step for mode   30=        0.0000000717
 Unscaled step for mode   31=        0.0000000303
 Unscaled step for mode   32=        0.0000000143
 Unscaled step for mode   33=       -0.0000000333
 Unscaled step for mode   34=       -0.0000000241
 Unscaled step for mode   35=       -0.0000000841
 Unscaled step for mode   36=       -0.0000000445
 Unscaled step for mode   37=        0.0000000534
 Unscaled step for mode   38=        0.0000000125
 Unscaled step for mode   39=        0.0000000687
 Unscaled step for mode   40=       -0.0000000185
 Unscaled step for mode   41=        0.0000001188
 Unscaled step for mode   42=        0.0000000351
 Unscaled step for mode   43=       -0.0000000399
 Unscaled step for mode   44=        0.0000000775
 Unscaled step for mode   45=       -0.0000000085
 Unscaled step for mode   46=       -0.0000000815
 Unscaled step for mode   47=        0.0000001343
 Unscaled step for mode   48=       -0.0000000132
 Unscaled step for mode   49=        0.0000000968
 Unscaled step for mode   50=        0.0000000467
 Unscaled step for mode   51=        0.0000000672
 Unscaled step for mode   52=       -0.0000000077
 Unscaled step for mode   53=        0.0000000595
 Unscaled step for mode   54=        0.0000000684
 Unscaled step for mode   55=        0.0000001119
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=        0.0000000408
 Unscaled step for mode   58=       -0.0000001295
 Unscaled step for mode   59=       -0.0000000216
 Unscaled step for mode   60=        0.0000001268
 Unscaled step for mode   61=        0.0000001346
 Unscaled step for mode   62=       -0.0000002270
 Unscaled step for mode   63=       -0.0000001660
 Unscaled step for mode   64=       -0.0000001236
 Unscaled step for mode   65=        0.0000000271
 Unscaled step for mode   66=        0.0000002008
 Unscaled step for mode   67=       -0.0000000333
 Unscaled step for mode   68=       -0.0000000687
 Unscaled step for mode   69=        0.0000000318
 Unscaled step for mode   70=        0.0000001797
 Unscaled step for mode   71=        0.0000000350
 Unscaled step for mode   72=       -0.0000004090
 Unscaled step for mode   73=        0.0000002096
 Unscaled step for mode   74=        0.0000002981
 Unscaled step for mode   75=        0.0000004979
 Unscaled step for mode   76=       -0.0000002894
 Unscaled step for mode   77=        0.0000006626
 Unscaled step for mode   78=       -0.0000000008
 Unscaled step for mode   79=       -0.0000002102
 Unscaled step for mode   80=        0.0000002194
 Unscaled step for mode   81=        0.0000002251
 Unscaled step for mode   82=       -0.0000000895
 Unscaled step for mode   83=       -0.0000001771
 Unscaled step for mode   84=       -0.0000004125
 Unscaled step for mode   85=        0.0000005580
 Unscaled step for mode   86=       -0.0000002058
 Unscaled step for mode   87=       -0.0000005550
 Unscaled step for mode   88=        0.0000000147
 Unscaled step for mode   89=       -0.0000007835
 Unscaled step for mode   90=       -0.0000003947
 Unscaled step for mode   91=       -0.0000000046
 Unscaled step for mode   92=        0.0000010008
 Unscaled step for mode   93=        0.0000006953
 Unscaled step for mode   94=       -0.0000007286
 Unscaled step for mode   95=        0.0000006102
 Unscaled step for mode   96=        0.0000002248
 Unscaled step for mode   97=        0.0000008425
 Unscaled step for mode   98=        0.0000007897
 Unscaled step for mode   99=        0.0000027782
 Unscaled step for mode  100=       -0.0000031813
 Unscaled step for mode  101=        0.0000001355
 Unscaled step for mode  102=        0.0000030376
 Unscaled step for mode  103=        0.0000004718
 Unscaled step for mode  104=       -0.0000021958
 Unscaled step for mode  105=       -0.0000020318
 Unscaled step for mode  106=       -0.0000002921
 Unscaled step for mode  107=        0.0000061176
 Unscaled step for mode  108=        0.0000017723
 Unscaled step for mode  109=        0.0000056832
 Unscaled step for mode  110=       -0.0001846768
 Unscaled step for mode  111=       -0.0004864060
 Unscaled step for mode  112=       -0.0001669654
 Unscaled step for mode  113=       -0.0020936355
 Unscaled step for mode  114=        0.1167556530
 Largest modulus ratio of non-zero e/values=           161.2036128    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.596528E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.815103E-15    0.100729E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.667234E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.511310E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.505543E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.498218E-15    0.973784E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.240409E-05    0.729256E+03  0.329663E-08 0.100000E-04    0.988730E+00
   8   -0.341395E-05    0.672922E+03  0.507332E-08 0.100000E-04    0.998730E+00
   9    0.406741E-06    0.626117E+03 -0.649624E-09 0.100000E-04    0.971383E+00
  10    0.174755E-05    0.604488E+03 -0.289096E-08 0.100000E-04    0.989920E+00
  11   -0.116038E-05    0.588895E+03  0.197043E-08 0.100000E-04    0.978251E+00
  12    0.493741E-06    0.568614E+03 -0.868322E-09 0.100000E-04    0.997580E+00
  13   -0.301408E-05    0.566332E+03  0.532211E-08 0.100000E-04    0.993858E+00
  14   -0.397159E-05    0.481299E+03  0.825182E-08 0.100000E-04    0.995707E+00
  15    0.176932E-05    0.466604E+03 -0.379191E-08 0.100000E-04    0.996419E+00
  16    0.443939E-05    0.461798E+03 -0.961327E-08 0.100000E-04    0.992478E+00
  17    0.354710E-05    0.441337E+03 -0.803717E-08 0.100000E-04    0.984690E+00
  18    0.468076E-05    0.430205E+03 -0.108803E-07 0.100000E-04    0.990734E+00
  19   -0.133565E-04    0.421504E+03  0.316879E-07 0.100000E-04    0.995605E+00
  20    0.860713E-05    0.407388E+03 -0.211276E-07 0.100000E-04    0.996132E+00
  21    0.723690E-05    0.397724E+03 -0.181958E-07 0.100000E-04    0.996386E+00
  22   -0.455268E-05    0.388839E+03  0.117084E-07 0.100000E-04    0.996611E+00
  23   -0.342974E-06    0.367483E+03  0.933305E-09 0.100000E-04    0.909584E+00
  24    0.704375E-07    0.362353E+03 -0.194389E-09 0.100000E-04    0.757754E+00
  25   -0.164114E-04    0.351338E+03  0.467111E-07 0.100000E-04    0.995760E+00
  26   -0.274049E-04    0.337780E+03  0.811323E-07 0.100000E-04    0.996913E+00
  27   -0.136771E-04    0.325213E+03  0.420557E-07 0.100000E-04    0.995777E+00
  28    0.646487E-05    0.321560E+03 -0.201047E-07 0.100000E-04    0.979286E+00
  29    0.285423E-05    0.319670E+03 -0.892869E-08 0.100000E-04    0.980235E+00
  30   -0.225372E-04    0.314450E+03  0.716716E-07 0.100000E-04    0.999168E+00
  31   -0.923417E-05    0.304615E+03  0.303142E-07 0.100000E-04    0.994890E+00
  32   -0.411390E-05    0.288048E+03  0.142820E-07 0.100000E-04    0.998527E+00
  33    0.929105E-05    0.279143E+03 -0.332842E-07 0.100000E-04    0.996233E+00
  34    0.651642E-05    0.270746E+03 -0.240684E-07 0.100000E-04    0.991856E+00
  35    0.223974E-04    0.266313E+03 -0.841018E-07 0.100000E-04    0.999649E+00
  36    0.117399E-04    0.263656E+03 -0.445272E-07 0.100000E-04    0.995181E+00
  37   -0.138063E-04    0.258769E+03  0.533537E-07 0.100000E-04    0.994812E+00
  38   -0.316301E-05    0.253765E+03  0.124643E-07 0.100000E-04    0.997608E+00
  39   -0.166629E-04    0.242574E+03  0.686918E-07 0.100000E-04    0.997498E+00
  40    0.440904E-05    0.237749E+03 -0.185449E-07 0.100000E-04    0.955369E+00
  41   -0.280081E-04    0.235679E+03  0.118840E-06 0.100000E-04    0.995094E+00
  42   -0.802166E-05    0.228683E+03  0.350776E-07 0.100000E-04    0.998478E+00
  43    0.884068E-05    0.221556E+03 -0.399027E-07 0.100000E-04    0.995642E+00
  44   -0.165362E-04    0.213245E+03  0.775457E-07 0.100000E-04    0.997404E+00
  45    0.179469E-05    0.211933E+03 -0.846818E-08 0.100000E-04    0.991698E+00
  46    0.169527E-04    0.207902E+03 -0.815415E-07 0.100000E-04    0.995339E+00
  47   -0.273065E-04    0.203396E+03  0.134253E-06 0.100000E-04    0.999224E+00
  48    0.261683E-05    0.197885E+03 -0.132240E-07 0.100000E-04    0.984915E+00
  49   -0.189150E-04    0.195458E+03  0.967732E-07 0.100000E-04    0.997039E+00
  50   -0.893878E-05    0.191590E+03  0.466558E-07 0.100000E-04    0.989273E+00
  51   -0.124263E-04    0.184970E+03  0.671799E-07 0.100000E-04    0.995588E+00
  52    0.135359E-05    0.175896E+03 -0.769539E-08 0.100000E-04    0.984022E+00
  53   -0.101923E-04    0.171441E+03  0.594507E-07 0.100000E-04    0.993369E+00
  54   -0.114588E-04    0.167621E+03  0.683617E-07 0.100000E-04    0.992179E+00
  55   -0.185045E-04    0.165413E+03  0.111868E-06 0.100000E-04    0.999106E+00
  56   -0.594264E-05    0.159648E+03  0.372233E-07 0.100000E-04    0.992410E+00
  57   -0.626830E-05    0.153655E+03  0.407947E-07 0.100000E-04    0.983418E+00
  58    0.195584E-04    0.151032E+03 -0.129498E-06 0.100000E-04    0.995634E+00
  59    0.322069E-05    0.149073E+03 -0.216048E-07 0.100000E-04    0.984842E+00
  60   -0.181473E-04    0.143102E+03  0.126813E-06 0.100000E-04    0.994609E+00
  61   -0.184357E-04    0.136994E+03  0.134573E-06 0.100000E-04    0.989919E+00
  62    0.307738E-04    0.135545E+03 -0.227037E-06 0.100000E-04    0.998741E+00
  63    0.217049E-04    0.130783E+03 -0.165961E-06 0.100000E-04    0.995076E+00
  64    0.157886E-04    0.127789E+03 -0.123553E-06 0.100000E-04    0.989367E+00
  65   -0.341749E-05    0.126060E+03  0.271101E-07 0.100000E-04    0.937073E+00
  66   -0.252044E-04    0.125498E+03  0.200835E-06 0.100000E-04    0.998229E+00
  67    0.398648E-05    0.119613E+03 -0.333282E-07 0.100000E-04    0.995043E+00
  68    0.810975E-05    0.118006E+03 -0.687233E-07 0.100000E-04    0.995409E+00
  69   -0.371332E-05    0.116891E+03  0.317672E-07 0.100000E-04    0.984378E+00
  70   -0.200341E-04    0.111458E+03  0.179745E-06 0.100000E-04    0.999596E+00
  71   -0.380116E-05    0.108537E+03  0.350218E-07 0.100000E-04    0.997603E+00
  72    0.429374E-04    0.104972E+03 -0.409034E-06 0.100000E-04    0.994925E+00
  73   -0.215870E-04    0.103014E+03  0.209553E-06 0.100000E-04    0.994276E+00
  74   -0.297800E-04    0.999041E+02  0.298086E-06 0.100000E-04    0.998546E+00
  75   -0.480044E-04    0.964232E+02  0.497852E-06 0.100000E-04    0.992349E+00
  76    0.275190E-04    0.951042E+02 -0.289357E-06 0.100000E-04    0.997608E+00
  77   -0.610035E-04    0.920698E+02  0.662579E-06 0.100000E-04    0.997263E+00
  78    0.680874E-07    0.904239E+02 -0.752980E-09 0.100000E-04    0.778367E+00
  79    0.188685E-04    0.897535E+02 -0.210226E-06 0.100000E-04    0.990413E+00
  80   -0.186069E-04    0.847971E+02  0.219428E-06 0.100000E-04    0.994422E+00
  81   -0.182161E-04    0.809142E+02  0.225128E-06 0.100000E-04    0.998163E+00
  82    0.712798E-05    0.796345E+02 -0.895088E-07 0.100000E-04    0.990341E+00
  83    0.138838E-04    0.783860E+02 -0.177121E-06 0.100000E-04    0.995989E+00
  84    0.300019E-04    0.727282E+02 -0.412521E-06 0.100000E-04    0.993197E+00
  85   -0.401241E-04    0.719065E+02  0.558003E-06 0.100000E-04    0.993612E+00
  86    0.140568E-04    0.683041E+02 -0.205798E-06 0.100000E-04    0.979218E+00
  87    0.374126E-04    0.674052E+02 -0.555040E-06 0.100000E-04    0.992903E+00
  88   -0.930278E-06    0.633512E+02  0.146845E-07 0.100000E-04    0.931825E+00
  89    0.476407E-04    0.608013E+02 -0.783548E-06 0.100000E-04    0.994258E+00
  90    0.235532E-04    0.596751E+02 -0.394690E-06 0.100000E-04    0.990915E+00
  91    0.268664E-06    0.589932E+02 -0.455414E-08 0.100000E-04    0.885471E+00
  92   -0.560246E-04    0.559777E+02  0.100084E-05 0.100000E-04    0.996943E+00
  93   -0.368847E-04    0.530470E+02  0.695323E-06 0.100000E-04    0.998831E+00
  94    0.380584E-04    0.522368E+02 -0.728573E-06 0.100000E-04    0.996076E+00
  95   -0.306144E-04    0.501691E+02  0.610224E-06 0.100000E-04    0.997243E+00
  96   -0.107396E-04    0.477843E+02  0.224752E-06 0.100000E-04    0.993062E+00
  97   -0.362346E-04    0.430062E+02  0.842542E-06 0.100000E-04    0.990167E+00
  98   -0.317619E-04    0.402202E+02  0.789700E-06 0.100000E-04    0.992277E+00
  99   -0.103184E-03    0.371412E+02  0.277817E-05 0.100000E-04    0.992988E+00
 100    0.114143E-03    0.358796E+02 -0.318128E-05 0.100000E-04    0.998829E+00
 101   -0.479433E-05    0.353923E+02  0.135462E-06 0.100000E-04    0.898093E+00
 102   -0.876434E-04    0.288527E+02  0.303762E-05 0.100000E-04    0.995866E+00
 103   -0.135505E-04    0.287225E+02  0.471774E-06 0.100000E-04    0.973804E+00
 104    0.616091E-04    0.280579E+02 -0.219579E-05 0.100000E-04    0.997899E+00
 105    0.465661E-04    0.229184E+02 -0.203182E-05 0.100000E-04    0.990947E+00
 106    0.635473E-05    0.217534E+02 -0.292126E-06 0.100000E-04    0.913730E+00
 107   -0.122799E-03    0.200730E+02  0.611762E-05 0.100000E-04    0.993993E+00
 108   -0.298177E-04    0.168245E+02  0.177228E-05 0.100000E-04    0.967099E+00
 109   -0.782640E-04    0.137712E+02  0.568315E-05 0.100000E-04    0.991303E+00
 110    0.226824E-02    0.122822E+02 -0.100000E-04 0.100000E-04    0.615584E+00
 111    0.479428E-02    0.985654E+01 -0.100000E-04 0.100000E-04    0.872951E+00
 112    0.158221E-02    0.947626E+01 -0.116669E-04 0.116669E-04    0.156597E+00
 113    0.156177E-01    0.745958E+01 -0.138198E-04 0.138198E-04    0.153499E+00
 114    0.535481E+00    0.452382E+01  0.400000E-03 0.400000E-03    0.370680E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1167556530    

 Beginning of optimization cycle  263.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3724103522
 potential> RMS force:                                               0.0503452876   |gradient|=.5375405754    
 Eigenvalues of the Hessian matrix:
   729.31734    672.93351    626.13017    604.48545    588.88686    568.65554 
   566.34380    481.32181    466.58068    461.79018    441.33725    430.19729 
   421.50906    407.39696    397.71915    388.83985    367.48856    362.34333 
   351.33048    337.75200    325.22218    321.55804    319.68157    314.42210 
   304.60748    288.05457    279.13707    270.74430    266.32019    263.66542 
   258.77976    253.76747    242.56923    237.74941    235.67685    228.68215 
   221.53565    213.25268    211.93835    207.89208    203.39930    197.88041 
   195.45558    191.58917    184.95961    175.88287    171.44694    167.61806 
   165.40861    159.63983    153.65854    151.03534    149.06927    143.10466 
   136.99476    135.55010    130.78139    127.79161    126.05968    125.50174 
   119.61489    118.00666    116.89358    111.45119    108.52660    104.96918 
   103.01582     99.90159     96.41463     95.10297     92.08191     90.42102 
    89.75810     84.79989     80.91438     79.63731     78.38441     72.72814 
    71.91061     68.30353     67.39403     63.35007     60.79122     59.67581 
    58.99494     55.97890     53.04273     52.23731     50.16765     47.78160 
    43.00361     40.22252     37.14465     35.88492     35.38190     28.85200 
    28.72181     28.04960     22.91827     21.74923     20.07777     16.82458 
    13.77135     12.28143      9.85449      9.46934      7.45643      4.52009 
overlap for current and previous eigenvector    109 is         0.9999994408
overlap for current and previous eigenvector    110 is         0.9999993319
overlap for current and previous eigenvector    111 is         0.9998832095
overlap for current and previous eigenvector    112 is         0.9998801370
overlap for current and previous eigenvector    113 is         0.9999959271
overlap for current and previous eigenvector    114 is         0.9999996621
J1,K1,R1,R2,RAT=   7   7   -0.9526919191E-02     2.009358890        0.9904730808    
FOB,PFOB,DIAG,PSTEP=   -0.2426991120E-05   -0.2404085666E-05     729.3173442        0.3296627565E-08
J1,K1,R1,R2,RAT=   8   8   -0.9237217009E-02     2.009204020        0.9907627830    
FOB,PFOB,DIAG,PSTEP=   -0.3445488152E-05   -0.3413952211E-05     672.9335122        0.5073322725E-08
J1,K1,R1,R2,RAT=   9   9    0.5059267843E-01     1.949364259        0.9493642590    
FOB,PFOB,DIAG,PSTEP=    0.3861619860E-06    0.4067405215E-06     626.1301725       -0.6496241472E-09
J1,K1,R1,R2,RAT=  10  10    0.5141946514E-02     1.994865291        0.9948580535    
FOB,PFOB,DIAG,PSTEP=    0.1738566298E-05    0.1747552085E-05     604.4854526       -0.2890964131E-08
J1,K1,R1,R2,RAT=  11  11    0.1183812274E-01     1.988190780        0.9881618773    
FOB,PFOB,DIAG,PSTEP=   -0.1146641912E-05   -0.1160378415E-05     588.8868570        0.1970432235E-08
J1,K1,R1,R2,RAT= 109 109   -0.6010454330E-02     2.005991807        0.9939895457    
FOB,PFOB,DIAG,PSTEP=   -0.7873436065E-04   -0.7826395434E-04     13.77135269        0.5683151527E-05
J1,K1,R1,R2,RAT= 110 110   -0.3801994074         37.31793225        0.6198005926    
FOB,PFOB,DIAG,PSTEP=    0.2314933963E-02    0.2268240057E-02     12.28142542       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1292141833         97.43061002        0.8707858167    
FOB,PFOB,DIAG,PSTEP=    0.4807012945E-02    0.4794279543E-02     9.854492840       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7223656941         29.36528376        0.2776343059    
FOB,PFOB,DIAG,PSTEP=    0.1662013527E-02    0.1582207921E-02     9.469341393       -0.1166692793E-04
J1,K1,R1,R2,RAT= 113 113   -0.7295563626         303.8498863        0.2704436374    
FOB,PFOB,DIAG,PSTEP=    0.1569287837E-01    0.1561770035E-01     7.456432369       -0.1381977377E-04
J1,K1,R1,R2,RAT= 114 114    0.9962052271        -593.3312405        0.3794772927E-02
FOB,PFOB,DIAG,PSTEP=    0.5372823067        0.5354811331         4.520086617        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000      0.00001      0.00001 
     0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
    -0.00002      0.00003      0.00002      0.00002      0.00000      0.00003 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000      0.00004 
    -0.00002      0.00003      0.00005      0.00003     -0.00006     -0.00000 
     0.00002      0.00002      0.00002      0.00001      0.00001      0.00003 
     0.00004      0.00001      0.00004      0.00000      0.00005      0.00002 
    -0.00000      0.00006     -0.00004     -0.00004     -0.00003     -0.00001 
     0.00004     -0.00003     -0.00010      0.00011      0.00000     -0.00009 
    -0.00001      0.00006     -0.00005     -0.00001     -0.00012     -0.00003 
    -0.00008      0.00231      0.00481      0.00166      0.01569      0.53728 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4340552493
 Log product of positive Hessian eigenvalues =          520.0473828089
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5200866169
 Unscaled step for mode    7=        0.0000000033
 Unscaled step for mode    8=        0.0000000051
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000019
 Unscaled step for mode   12=       -0.0000000007
 Unscaled step for mode   13=        0.0000000053
 Unscaled step for mode   14=        0.0000000082
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000096
 Unscaled step for mode   17=       -0.0000000080
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000318
 Unscaled step for mode   20=       -0.0000000210
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000119
 Unscaled step for mode   23=        0.0000000008
 Unscaled step for mode   24=       -0.0000000001
 Unscaled step for mode   25=        0.0000000468
 Unscaled step for mode   26=        0.0000000814
 Unscaled step for mode   27=        0.0000000422
 Unscaled step for mode   28=       -0.0000000204
 Unscaled step for mode   29=       -0.0000000091
 Unscaled step for mode   30=        0.0000000719
 Unscaled step for mode   31=        0.0000000306
 Unscaled step for mode   32=        0.0000000145
 Unscaled step for mode   33=       -0.0000000334
 Unscaled step for mode   34=       -0.0000000242
 Unscaled step for mode   35=       -0.0000000844
 Unscaled step for mode   36=       -0.0000000450
 Unscaled step for mode   37=        0.0000000536
 Unscaled step for mode   38=        0.0000000124
 Unscaled step for mode   39=        0.0000000688
 Unscaled step for mode   40=       -0.0000000176
 Unscaled step for mode   41=        0.0000001199
 Unscaled step for mode   42=        0.0000000355
 Unscaled step for mode   43=       -0.0000000403
 Unscaled step for mode   44=        0.0000000783
 Unscaled step for mode   45=       -0.0000000083
 Unscaled step for mode   46=       -0.0000000821
 Unscaled step for mode   47=        0.0000001347
 Unscaled step for mode   48=       -0.0000000133
 Unscaled step for mode   49=        0.0000000973
 Unscaled step for mode   50=        0.0000000464
 Unscaled step for mode   51=        0.0000000675
 Unscaled step for mode   52=       -0.0000000078
 Unscaled step for mode   53=       -0.0000000595
 Unscaled step for mode   54=       -0.0000000688
 Unscaled step for mode   55=       -0.0000001121
 Unscaled step for mode   56=        0.0000000375
 Unscaled step for mode   57=       -0.0000000408
 Unscaled step for mode   58=        0.0000001300
 Unscaled step for mode   59=        0.0000000211
 Unscaled step for mode   60=        0.0000001271
 Unscaled step for mode   61=        0.0000001350
 Unscaled step for mode   62=       -0.0000002271
 Unscaled step for mode   63=       -0.0000001658
 Unscaled step for mode   64=       -0.0000001245
 Unscaled step for mode   65=       -0.0000000278
 Unscaled step for mode   66=       -0.0000002009
 Unscaled step for mode   67=        0.0000000341
 Unscaled step for mode   68=       -0.0000000688
 Unscaled step for mode   69=        0.0000000318
 Unscaled step for mode   70=        0.0000001811
 Unscaled step for mode   71=        0.0000000355
 Unscaled step for mode   72=       -0.0000004109
 Unscaled step for mode   73=        0.0000002103
 Unscaled step for mode   74=       -0.0000002978
 Unscaled step for mode   75=       -0.0000005013
 Unscaled step for mode   76=       -0.0000002883
 Unscaled step for mode   77=        0.0000006624
 Unscaled step for mode   78=        0.0000000000
 Unscaled step for mode   79=       -0.0000002082
 Unscaled step for mode   80=       -0.0000002198
 Unscaled step for mode   81=       -0.0000002260
 Unscaled step for mode   82=       -0.0000000875
 Unscaled step for mode   83=       -0.0000001774
 Unscaled step for mode   84=       -0.0000004136
 Unscaled step for mode   85=       -0.0000005576
 Unscaled step for mode   86=       -0.0000002010
 Unscaled step for mode   87=       -0.0000005563
 Unscaled step for mode   88=       -0.0000000168
 Unscaled step for mode   89=       -0.0000007841
 Unscaled step for mode   90=       -0.0000003947
 Unscaled step for mode   91=        0.0000000041
 Unscaled step for mode   92=       -0.0000010022
 Unscaled step for mode   93=        0.0000006934
 Unscaled step for mode   94=        0.0000007310
 Unscaled step for mode   95=        0.0000006084
 Unscaled step for mode   96=        0.0000002255
 Unscaled step for mode   97=       -0.0000008401
 Unscaled step for mode   98=        0.0000007918
 Unscaled step for mode   99=        0.0000027813
 Unscaled step for mode  100=       -0.0000031701
 Unscaled step for mode  101=       -0.0000001393
 Unscaled step for mode  102=        0.0000030435
 Unscaled step for mode  103=        0.0000004516
 Unscaled step for mode  104=       -0.0000022128
 Unscaled step for mode  105=        0.0000020294
 Unscaled step for mode  106=        0.0000002807
 Unscaled step for mode  107=        0.0000060799
 Unscaled step for mode  108=        0.0000017748
 Unscaled step for mode  109=        0.0000057173
 Unscaled step for mode  110=       -0.0001884907
 Unscaled step for mode  111=       -0.0004877990
 Unscaled step for mode  112=       -0.0001755152
 Unscaled step for mode  113=       -0.0021046002
 Unscaled step for mode  114=        0.1172318833
 Largest modulus ratio of non-zero e/values=           161.3503028    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.106035E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.284061E-16    0.100729E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.780842E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.391180E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.292712E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.875981E-15    0.973785E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.242699E-05    0.729317E+03  0.332776E-08 0.100000E-04    0.990473E+00
   8   -0.344549E-05    0.672934E+03  0.512010E-08 0.100000E-04    0.990763E+00
   9    0.386162E-06    0.626130E+03 -0.616744E-09 0.100000E-04    0.949364E+00
  10    0.173857E-05    0.604485E+03 -0.287611E-08 0.100000E-04    0.994858E+00
  11   -0.114664E-05    0.588887E+03  0.194713E-08 0.100000E-04    0.988162E+00
  12    0.423051E-06    0.568656E+03 -0.743950E-09 0.100000E-04    0.856694E+00
  13   -0.302318E-05    0.566344E+03  0.533806E-08 0.100000E-04    0.996982E+00
  14   -0.393083E-05    0.481322E+03  0.816673E-08 0.100000E-04    0.989640E+00
  15    0.176291E-05    0.466581E+03 -0.377836E-08 0.100000E-04    0.996377E+00
  16    0.445593E-05    0.461790E+03 -0.964924E-08 0.100000E-04    0.996275E+00
  17    0.353358E-05    0.441337E+03 -0.800653E-08 0.100000E-04    0.996187E+00
  18    0.465989E-05    0.430197E+03 -0.108320E-07 0.100000E-04    0.995542E+00
  19   -0.133859E-04    0.421509E+03  0.317572E-07 0.100000E-04    0.997799E+00
  20    0.856549E-05    0.407397E+03 -0.210249E-07 0.100000E-04    0.995117E+00
  21    0.722369E-05    0.397719E+03 -0.181628E-07 0.100000E-04    0.998174E+00
  22   -0.461006E-05    0.388840E+03  0.118559E-07 0.100000E-04    0.987396E+00
  23   -0.297672E-06    0.367489E+03  0.810018E-09 0.100000E-04    0.867889E+00
  24    0.231966E-07    0.362343E+03 -0.640182E-10 0.100000E-04    0.329304E+00
  25   -0.164495E-04    0.351330E+03  0.468207E-07 0.100000E-04    0.997676E+00
  26   -0.274944E-04    0.337752E+03  0.814040E-07 0.100000E-04    0.996735E+00
  27   -0.137193E-04    0.325222E+03  0.421845E-07 0.100000E-04    0.996911E+00
  28    0.656783E-05    0.321558E+03 -0.204250E-07 0.100000E-04    0.984073E+00
  29    0.291361E-05    0.319682E+03 -0.911409E-08 0.100000E-04    0.979199E+00
  30   -0.226174E-04    0.314422E+03  0.719332E-07 0.100000E-04    0.996439E+00
  31   -0.931960E-05    0.304607E+03  0.305954E-07 0.100000E-04    0.990748E+00
  32   -0.416849E-05    0.288055E+03  0.144712E-07 0.100000E-04    0.986730E+00
  33    0.932501E-05    0.279137E+03 -0.334065E-07 0.100000E-04    0.996345E+00
  34    0.656045E-05    0.270744E+03 -0.242312E-07 0.100000E-04    0.993244E+00
  35    0.224652E-04    0.266320E+03 -0.843541E-07 0.100000E-04    0.996971E+00
  36    0.118534E-04    0.263665E+03 -0.449563E-07 0.100000E-04    0.990327E+00
  37   -0.138621E-04    0.258780E+03  0.535670E-07 0.100000E-04    0.995962E+00
  38   -0.313609E-05    0.253767E+03  0.123581E-07 0.100000E-04    0.991470E+00
  39   -0.166962E-04    0.242569E+03  0.688308E-07 0.100000E-04    0.997997E+00
  40    0.418856E-05    0.237749E+03 -0.176176E-07 0.100000E-04    0.949991E+00
  41   -0.282600E-04    0.235677E+03  0.119910E-06 0.100000E-04    0.991006E+00
  42   -0.811504E-05    0.228682E+03  0.354861E-07 0.100000E-04    0.988360E+00
  43    0.892910E-05    0.221536E+03 -0.403055E-07 0.100000E-04    0.989998E+00
  44   -0.167067E-04    0.213253E+03  0.783423E-07 0.100000E-04    0.989692E+00
  45    0.175938E-05    0.211938E+03 -0.830136E-08 0.100000E-04    0.980277E+00
  46    0.170616E-04    0.207892E+03 -0.820697E-07 0.100000E-04    0.993572E+00
  47   -0.274074E-04    0.203399E+03  0.134747E-06 0.100000E-04    0.996304E+00
  48    0.263545E-05    0.197880E+03 -0.133184E-07 0.100000E-04    0.992882E+00
  49   -0.190232E-04    0.195456E+03  0.973277E-07 0.100000E-04    0.994280E+00
  50   -0.888524E-05    0.191589E+03  0.463765E-07 0.100000E-04    0.994011E+00
  51   -0.124806E-04    0.184960E+03  0.674774E-07 0.100000E-04    0.995627E+00
  52    0.138049E-05    0.175883E+03 -0.784892E-08 0.100000E-04    0.980122E+00
  53    0.102042E-04    0.171447E+03 -0.595180E-07 0.100000E-04    0.998831E+00
  54    0.115359E-04    0.167618E+03 -0.688228E-07 0.100000E-04    0.993271E+00
  55    0.185482E-04    0.165409E+03 -0.112135E-06 0.100000E-04    0.997638E+00
  56   -0.598309E-05    0.159640E+03  0.374787E-07 0.100000E-04    0.993193E+00
  57    0.627481E-05    0.153659E+03 -0.408361E-07 0.100000E-04    0.998961E+00
  58   -0.196299E-04    0.151035E+03  0.129969E-06 0.100000E-04    0.996342E+00
  59   -0.314453E-05    0.149069E+03  0.210944E-07 0.100000E-04    0.976352E+00
  60   -0.181849E-04    0.143105E+03  0.127074E-06 0.100000E-04    0.997924E+00
  61   -0.184950E-04    0.136995E+03  0.135005E-06 0.100000E-04    0.996783E+00
  62    0.307767E-04    0.135550E+03 -0.227051E-06 0.100000E-04    0.999904E+00
  63    0.216855E-04    0.130781E+03 -0.165815E-06 0.100000E-04    0.999109E+00
  64    0.159046E-04    0.127792E+03 -0.124457E-06 0.100000E-04    0.992656E+00
  65    0.350271E-05    0.126060E+03 -0.277861E-07 0.100000E-04    0.975064E+00
  66    0.252175E-04    0.125502E+03 -0.200933E-06 0.100000E-04    0.999481E+00
  67   -0.407459E-05    0.119615E+03  0.340642E-07 0.100000E-04    0.977899E+00
  68    0.811344E-05    0.118007E+03 -0.687541E-07 0.100000E-04    0.999545E+00
  69   -0.371926E-05    0.116894E+03  0.318175E-07 0.100000E-04    0.998398E+00
  70   -0.201846E-04    0.111451E+03  0.181107E-06 0.100000E-04    0.992483E+00
  71   -0.385589E-05    0.108527E+03  0.355295E-07 0.100000E-04    0.985600E+00
  72    0.431317E-04    0.104969E+03 -0.410899E-06 0.100000E-04    0.995474E+00
  73   -0.216652E-04    0.103016E+03  0.210309E-06 0.100000E-04    0.996377E+00
  74    0.297526E-04    0.999016E+02 -0.297819E-06 0.100000E-04    0.999078E+00
  75    0.483279E-04    0.964146E+02 -0.501251E-06 0.100000E-04    0.993261E+00
  76    0.274218E-04    0.951030E+02 -0.288338E-06 0.100000E-04    0.996469E+00
  77   -0.609986E-04    0.920819E+02  0.662438E-06 0.100000E-04    0.999655E+00
  78   -0.408799E-08    0.904210E+02  0.452107E-10 0.109000E-04    0.600107E-01
  79    0.186863E-04    0.897581E+02 -0.208185E-06 0.100000E-04    0.990241E+00
  80    0.186352E-04    0.847999E+02 -0.219755E-06 0.100000E-04    0.998479E+00
  81    0.182871E-04    0.809144E+02 -0.226006E-06 0.100000E-04    0.996100E+00
  82    0.696454E-05    0.796373E+02 -0.874533E-07 0.100000E-04    0.977000E+00
  83    0.139078E-04    0.783844E+02 -0.177431E-06 0.100000E-04    0.998271E+00
  84    0.300810E-04    0.727281E+02 -0.413608E-06 0.100000E-04    0.997365E+00
  85    0.400943E-04    0.719106E+02 -0.557557E-06 0.100000E-04    0.999143E+00
  86    0.137273E-04    0.683035E+02 -0.200975E-06 0.100000E-04    0.976558E+00
  87    0.374884E-04    0.673940E+02 -0.556257E-06 0.100000E-04    0.997974E+00
  88    0.106259E-05    0.633501E+02 -0.167733E-07 0.100000E-04    0.857771E+00
  89    0.476682E-04    0.607912E+02 -0.784130E-06 0.100000E-04    0.999423E+00
  90    0.235553E-04    0.596758E+02 -0.394722E-06 0.100000E-04    0.999908E+00
  91   -0.244371E-06    0.589949E+02  0.414223E-08 0.100000E-04    0.909524E+00
  92    0.561030E-04    0.559789E+02 -0.100222E-05 0.100000E-04    0.998601E+00
  93   -0.367778E-04    0.530427E+02  0.693362E-06 0.100000E-04    0.997100E+00
  94   -0.381837E-04    0.522373E+02  0.730966E-06 0.100000E-04    0.996707E+00
  95   -0.305218E-04    0.501676E+02  0.608395E-06 0.100000E-04    0.996975E+00
  96   -0.107725E-04    0.477816E+02  0.225454E-06 0.100000E-04    0.996933E+00
  97    0.361287E-04    0.430036E+02 -0.840132E-06 0.100000E-04    0.997079E+00
  98   -0.318496E-04    0.402225E+02  0.791836E-06 0.100000E-04    0.997237E+00
  99   -0.103309E-03    0.371446E+02  0.278125E-05 0.100000E-04    0.998796E+00
 100    0.113758E-03    0.358849E+02 -0.317008E-05 0.100000E-04    0.996332E+00
 101    0.492818E-05    0.353819E+02 -0.139285E-06 0.100000E-04    0.972073E+00
 102   -0.878117E-04    0.288520E+02  0.304352E-05 0.100000E-04    0.998079E+00
 103   -0.129705E-04    0.287218E+02  0.451592E-06 0.100000E-04    0.957195E+00
 104    0.620669E-04    0.280496E+02 -0.221275E-05 0.100000E-04    0.992568E+00
 105   -0.465094E-04    0.229183E+02  0.202936E-05 0.100000E-04    0.998783E+00
 106   -0.610587E-05    0.217492E+02  0.280740E-06 0.100000E-04    0.960830E+00
 107   -0.122070E-03    0.200778E+02  0.607986E-05 0.100000E-04    0.993589E+00
 108   -0.298599E-04    0.168246E+02  0.177478E-05 0.100000E-04    0.998587E+00
 109   -0.787344E-04    0.137714E+02  0.571726E-05 0.100000E-04    0.993990E+00
 110    0.231493E-02    0.122814E+02 -0.100000E-04 0.100000E-04    0.619801E+00
 111    0.480701E-02    0.985449E+01 -0.100000E-04 0.100000E-04    0.870786E+00
 112    0.166201E-02    0.946934E+01 -0.105107E-04 0.105107E-04    0.277634E+00
 113    0.156929E-01    0.745643E+01 -0.124502E-04 0.124502E-04    0.270444E+00
 114    0.537282E+00    0.452009E+01  0.400000E-03 0.400000E-03    0.379477E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1172318833    

 Beginning of optimization cycle  264.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3721953611
 potential> RMS force:                                               0.0505140474   |gradient|=.5393424368    
 Eigenvalues of the Hessian matrix:
   729.37869    672.94467    626.14354    604.48322    588.87833    568.69684 
   566.35564    481.34502    466.55744    461.78209    441.33762    430.18905 
   421.51458    407.40623    397.71443    388.84050    367.49387    362.33401 
   351.32281    337.72376    325.23112    321.55653    319.69325    314.39374 
   304.59943    288.06151    279.13156    270.74230    266.32779    263.67489 
   258.79002    253.77006    242.56402    237.75000    235.67404    228.68080 
   221.51544    213.26006    211.94323    207.88185    203.40223    197.87574 
   195.45358    191.58866    184.94932    175.87003    171.45310    167.61562 
   165.40440    159.63131    153.66229    151.03838    149.06555    143.10729 
   136.99580    135.55494    130.77968    127.79465    126.05952    125.50522 
   119.61675    118.00754    116.89583    111.44446    108.51613    104.96589 
   103.01730     99.89917     96.40613     95.10172     92.09409     90.41827 
    89.76253     84.80261     80.91454     79.64013     78.38287     72.72817 
    71.91482     68.30306     67.38281     63.34893     60.78116     59.67653 
    58.99665     55.98008     53.03853     52.23782     50.16621     47.77892 
    43.00099     40.22488     37.14815     35.89021     35.37143     28.85129 
    28.72107     28.04131     22.91822     21.74499     20.08256     16.82468 
    13.77148     12.28066      9.85261      9.46220      7.45326      4.51634 
overlap for current and previous eigenvector    109 is         0.9999994410
overlap for current and previous eigenvector    110 is         0.9999993359
overlap for current and previous eigenvector    111 is         0.9998880235
overlap for current and previous eigenvector    112 is         0.9998848185
overlap for current and previous eigenvector    113 is        -0.9999958673
overlap for current and previous eigenvector    114 is        -0.9999996684
J1,K1,R1,R2,RAT=   7   7   -0.1102206409E-01     2.010853837        0.9889779359    
FOB,PFOB,DIAG,PSTEP=   -0.2453743822E-05   -0.2426991120E-05     729.3786949        0.3327757305E-08
J1,K1,R1,R2,RAT=   8   8   -0.1312312082E-02     2.001279151        0.9986876879    
FOB,PFOB,DIAG,PSTEP=   -0.3450009783E-05   -0.3445488152E-05     672.9446699        0.5120101897E-08
J1,K1,R1,R2,RAT=   9   9   -0.3017017208E-01     2.030127471        0.9698298279    
FOB,PFOB,DIAG,PSTEP=    0.3978128083E-06    0.3861619860E-06     626.1435409       -0.6167439344E-09
J1,K1,R1,R2,RAT=  10  10   -0.9877363603E-02     2.009884751        0.9901226364    
FOB,PFOB,DIAG,PSTEP=    0.1755738686E-05    0.1738566298E-05     604.4832199       -0.2876109410E-08
J1,K1,R1,R2,RAT=  11  11   -0.2155609954E-01     2.021585062        0.9784439005    
FOB,PFOB,DIAG,PSTEP=   -0.1171358681E-05   -0.1146641912E-05     588.8783293        0.1947134493E-08
J1,K1,R1,R2,RAT= 109 109    0.8804602445E-02     1.991176298        0.9911762983    
FOB,PFOB,DIAG,PSTEP=   -0.7804112928E-04   -0.7873436065E-04     13.77148420        0.5717256861E-05
J1,K1,R1,R2,RAT= 110 110   -0.3936201675         38.09411410        0.6063798325    
FOB,PFOB,DIAG,PSTEP=    0.2363273102E-02    0.2314933963E-02     12.28065588       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.7778077274E-01     97.65622807        0.9222192273    
FOB,PFOB,DIAG,PSTEP=    0.4814676383E-02    0.4807012945E-02     9.852612084       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8744472227         34.29695202        0.1255527773    
FOB,PFOB,DIAG,PSTEP=    0.1748981462E-02    0.1662013527E-02     9.462197732       -0.1051074588E-04
J1,K1,R1,R2,RAT= 113 113     339.1006221       -0.8736049150        0.1263950850    
FOB,PFOB,DIAG,PSTEP=   -0.1577394449E-01    0.1569287837E-01     7.453261416       -0.1245024664E-04
J1,K1,R1,R2,RAT= 114 114    -595.8167015        0.9962739010        0.3726098989E-02
FOB,PFOB,DIAG,PSTEP=   -0.5390821115        0.5372823067         4.516340409        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002      0.00002      0.00000      0.00003 
    -0.00000     -0.00001      0.00000     -0.00002     -0.00000      0.00004 
    -0.00002      0.00003      0.00005      0.00003      0.00006     -0.00000 
     0.00002      0.00002      0.00002      0.00001      0.00001      0.00003 
     0.00004      0.00001      0.00004      0.00000      0.00005      0.00002 
    -0.00000      0.00006     -0.00004     -0.00004     -0.00003     -0.00001 
     0.00004      0.00003      0.00010     -0.00011      0.00001     -0.00009 
    -0.00001      0.00006     -0.00005     -0.00001     -0.00012     -0.00003 
    -0.00008      0.00236      0.00481      0.00175     -0.01577     -0.53908 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4339566986
 Log product of positive Hessian eigenvalues =          520.0442420941
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5163404091
 Unscaled step for mode    7=        0.0000000034
 Unscaled step for mode    8=        0.0000000051
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000007
 Unscaled step for mode   13=        0.0000000054
 Unscaled step for mode   14=        0.0000000081
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000097
 Unscaled step for mode   17=       -0.0000000081
 Unscaled step for mode   18=       -0.0000000109
 Unscaled step for mode   19=        0.0000000319
 Unscaled step for mode   20=       -0.0000000211
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000119
 Unscaled step for mode   23=        0.0000000009
 Unscaled step for mode   24=       -0.0000000001
 Unscaled step for mode   25=        0.0000000470
 Unscaled step for mode   26=        0.0000000817
 Unscaled step for mode   27=        0.0000000424
 Unscaled step for mode   28=       -0.0000000208
 Unscaled step for mode   29=       -0.0000000093
 Unscaled step for mode   30=        0.0000000720
 Unscaled step for mode   31=        0.0000000308
 Unscaled step for mode   32=        0.0000000145
 Unscaled step for mode   33=       -0.0000000335
 Unscaled step for mode   34=       -0.0000000244
 Unscaled step for mode   35=       -0.0000000843
 Unscaled step for mode   36=       -0.0000000452
 Unscaled step for mode   37=        0.0000000538
 Unscaled step for mode   38=        0.0000000123
 Unscaled step for mode   39=        0.0000000690
 Unscaled step for mode   40=       -0.0000000167
 Unscaled step for mode   41=        0.0000001205
 Unscaled step for mode   42=        0.0000000354
 Unscaled step for mode   43=       -0.0000000405
 Unscaled step for mode   44=        0.0000000785
 Unscaled step for mode   45=       -0.0000000082
 Unscaled step for mode   46=       -0.0000000825
 Unscaled step for mode   47=        0.0000001348
 Unscaled step for mode   48=       -0.0000000135
 Unscaled step for mode   49=        0.0000000976
 Unscaled step for mode   50=        0.0000000469
 Unscaled step for mode   51=        0.0000000678
 Unscaled step for mode   52=        0.0000000080
 Unscaled step for mode   53=       -0.0000000599
 Unscaled step for mode   54=        0.0000000694
 Unscaled step for mode   55=       -0.0000001122
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=       -0.0000000415
 Unscaled step for mode   58=        0.0000001305
 Unscaled step for mode   59=        0.0000000208
 Unscaled step for mode   60=        0.0000001277
 Unscaled step for mode   61=       -0.0000001364
 Unscaled step for mode   62=       -0.0000002273
 Unscaled step for mode   63=       -0.0000001666
 Unscaled step for mode   64=       -0.0000001258
 Unscaled step for mode   65=       -0.0000000294
 Unscaled step for mode   66=       -0.0000002013
 Unscaled step for mode   67=        0.0000000339
 Unscaled step for mode   68=        0.0000000691
 Unscaled step for mode   69=       -0.0000000323
 Unscaled step for mode   70=        0.0000001812
 Unscaled step for mode   71=        0.0000000355
 Unscaled step for mode   72=       -0.0000004130
 Unscaled step for mode   73=        0.0000002115
 Unscaled step for mode   74=       -0.0000002982
 Unscaled step for mode   75=       -0.0000005051
 Unscaled step for mode   76=       -0.0000002875
 Unscaled step for mode   77=       -0.0000006641
 Unscaled step for mode   78=        0.0000000002
 Unscaled step for mode   79=       -0.0000002061
 Unscaled step for mode   80=       -0.0000002210
 Unscaled step for mode   81=       -0.0000002264
 Unscaled step for mode   82=       -0.0000000866
 Unscaled step for mode   83=       -0.0000001782
 Unscaled step for mode   84=       -0.0000004164
 Unscaled step for mode   85=       -0.0000005610
 Unscaled step for mode   86=       -0.0000001967
 Unscaled step for mode   87=       -0.0000005602
 Unscaled step for mode   88=       -0.0000000157
 Unscaled step for mode   89=       -0.0000007887
 Unscaled step for mode   90=       -0.0000003983
 Unscaled step for mode   91=        0.0000000035
 Unscaled step for mode   92=       -0.0000010052
 Unscaled step for mode   93=        0.0000006926
 Unscaled step for mode   94=        0.0000007338
 Unscaled step for mode   95=        0.0000006067
 Unscaled step for mode   96=        0.0000002238
 Unscaled step for mode   97=       -0.0000008484
 Unscaled step for mode   98=       -0.0000007979
 Unscaled step for mode   99=       -0.0000028002
 Unscaled step for mode  100=        0.0000031731
 Unscaled step for mode  101=       -0.0000001519
 Unscaled step for mode  102=        0.0000030559
 Unscaled step for mode  103=        0.0000004387
 Unscaled step for mode  104=       -0.0000022179
 Unscaled step for mode  105=        0.0000020478
 Unscaled step for mode  106=        0.0000003041
 Unscaled step for mode  107=        0.0000061146
 Unscaled step for mode  108=        0.0000017139
 Unscaled step for mode  109=        0.0000056669
 Unscaled step for mode  110=       -0.0001924387
 Unscaled step for mode  111=       -0.0004886699
 Unscaled step for mode  112=       -0.0001848388
 Unscaled step for mode  113=        0.0021163720
 Unscaled step for mode  114=       -0.1177087836
 Largest modulus ratio of non-zero e/values=           161.4977236    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.189302E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.109418E-14    0.100728E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.378579E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.446474E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.355618E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.108981E-14    0.973787E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.245374E-05    0.729379E+03  0.336416E-08 0.100000E-04    0.988978E+00
   8   -0.345001E-05    0.672945E+03  0.512674E-08 0.100000E-04    0.998688E+00
   9    0.397813E-06    0.626144E+03 -0.635338E-09 0.100000E-04    0.969830E+00
  10    0.175574E-05    0.604483E+03 -0.290453E-08 0.100000E-04    0.990123E+00
  11   -0.117136E-05    0.588878E+03  0.198914E-08 0.100000E-04    0.978444E+00
  12    0.422715E-06    0.568697E+03 -0.743305E-09 0.100000E-04    0.999060E+00
  13   -0.304136E-05    0.566356E+03  0.537005E-08 0.100000E-04    0.993987E+00
  14   -0.391433E-05    0.481345E+03  0.813207E-08 0.100000E-04    0.995708E+00
  15    0.177001E-05    0.466557E+03 -0.379376E-08 0.100000E-04    0.995975E+00
  16    0.448888E-05    0.461782E+03 -0.972079E-08 0.100000E-04    0.992603E+00
  17    0.358633E-05    0.441338E+03 -0.812604E-08 0.100000E-04    0.985073E+00
  18    0.470291E-05    0.430189E+03 -0.109322E-07 0.100000E-04    0.990767E+00
  19   -0.134447E-04    0.421515E+03  0.318962E-07 0.100000E-04    0.995609E+00
  20    0.859779E-05    0.407406E+03 -0.211037E-07 0.100000E-04    0.996229E+00
  21    0.724948E-05    0.397714E+03 -0.182279E-07 0.100000E-04    0.996429E+00
  22   -0.462501E-05    0.388840E+03  0.118944E-07 0.100000E-04    0.996758E+00
  23   -0.326273E-06    0.367494E+03  0.887831E-09 0.100000E-04    0.903922E+00
  24    0.361505E-07    0.362334E+03 -0.997712E-10 0.100000E-04    0.441543E+00
  25   -0.165194E-04    0.351323E+03  0.470206E-07 0.100000E-04    0.995752E+00
  26   -0.275788E-04    0.337724E+03  0.816609E-07 0.100000E-04    0.996928E+00
  27   -0.137764E-04    0.325231E+03  0.423589E-07 0.100000E-04    0.995838E+00
  28    0.669899E-05    0.321557E+03 -0.208330E-07 0.100000E-04    0.980030E+00
  29    0.296976E-05    0.319693E+03 -0.928939E-08 0.100000E-04    0.980729E+00
  30   -0.226344E-04    0.314394E+03  0.719938E-07 0.100000E-04    0.999248E+00
  31   -0.936758E-05    0.304599E+03  0.307538E-07 0.100000E-04    0.994851E+00
  32   -0.416267E-05    0.288062E+03  0.144506E-07 0.100000E-04    0.998554E+00
  33    0.936013E-05    0.279132E+03 -0.335330E-07 0.100000E-04    0.996233E+00
  34    0.661279E-05    0.270742E+03 -0.244247E-07 0.100000E-04    0.992021E+00
  35    0.224579E-04    0.266328E+03 -0.843243E-07 0.100000E-04    0.999619E+00
  36    0.119080E-04    0.263675E+03 -0.451617E-07 0.100000E-04    0.995395E+00
  37   -0.139336E-04    0.258790E+03  0.538413E-07 0.100000E-04    0.994840E+00
  38   -0.312767E-05    0.253770E+03  0.123248E-07 0.100000E-04    0.997294E+00
  39   -0.167383E-04    0.242564E+03  0.690059E-07 0.100000E-04    0.997478E+00
  40    0.397933E-05    0.237750E+03 -0.167375E-07 0.100000E-04    0.950043E+00
  41   -0.283932E-04    0.235674E+03  0.120476E-06 0.100000E-04    0.995288E+00
  42   -0.810277E-05    0.228681E+03  0.354327E-07 0.100000E-04    0.998488E+00
  43    0.896880E-05    0.221515E+03 -0.404884E-07 0.100000E-04    0.995554E+00
  44   -0.167493E-04    0.213260E+03  0.785393E-07 0.100000E-04    0.997451E+00
  45    0.174546E-05    0.211943E+03 -0.823553E-08 0.100000E-04    0.992046E+00
  46    0.171405E-04    0.207882E+03 -0.824533E-07 0.100000E-04    0.995375E+00
  47   -0.274265E-04    0.203402E+03  0.134839E-06 0.100000E-04    0.999303E+00
  48    0.267547E-05    0.197876E+03 -0.135209E-07 0.100000E-04    0.984817E+00
  49   -0.190789E-04    0.195454E+03  0.976133E-07 0.100000E-04    0.997076E+00
  50   -0.897987E-05    0.191589E+03  0.468706E-07 0.100000E-04    0.989350E+00
  51   -0.125354E-04    0.184949E+03  0.677773E-07 0.100000E-04    0.995611E+00
  52   -0.140152E-05    0.175870E+03  0.796908E-08 0.100000E-04    0.984764E+00
  53    0.102719E-04    0.171453E+03 -0.599106E-07 0.100000E-04    0.993368E+00
  54   -0.116253E-04    0.167616E+03  0.693567E-07 0.100000E-04    0.992256E+00
  55    0.185640E-04    0.165404E+03 -0.112234E-06 0.100000E-04    0.999144E+00
  56   -0.593674E-05    0.159631E+03  0.371903E-07 0.100000E-04    0.992252E+00
  57    0.637764E-05    0.153662E+03 -0.415043E-07 0.100000E-04    0.983613E+00
  58   -0.197130E-04    0.151038E+03  0.130517E-06 0.100000E-04    0.995767E+00
  59   -0.309511E-05    0.149066E+03  0.207634E-07 0.100000E-04    0.984285E+00
  60   -0.182818E-04    0.143107E+03  0.127749E-06 0.100000E-04    0.994673E+00
  61    0.186799E-04    0.136996E+03 -0.136353E-06 0.100000E-04    0.990006E+00
  62    0.308140E-04    0.135555E+03 -0.227317E-06 0.100000E-04    0.998790E+00
  63    0.217906E-04    0.130780E+03 -0.166621E-06 0.100000E-04    0.995156E+00
  64    0.160705E-04    0.127795E+03 -0.125752E-06 0.100000E-04    0.989571E+00
  65    0.371225E-05    0.126060E+03 -0.294484E-07 0.100000E-04    0.940179E+00
  66    0.252593E-04    0.125505E+03 -0.201261E-06 0.100000E-04    0.998342E+00
  67   -0.405337E-05    0.119617E+03  0.338863E-07 0.100000E-04    0.994761E+00
  68   -0.815114E-05    0.118008E+03  0.690731E-07 0.100000E-04    0.995353E+00
  69    0.377606E-05    0.116896E+03 -0.323028E-07 0.100000E-04    0.984730E+00
  70   -0.201938E-04    0.111444E+03  0.181201E-06 0.100000E-04    0.999546E+00
  71   -0.384732E-05    0.108516E+03  0.354539E-07 0.100000E-04    0.997776E+00
  72    0.433470E-04    0.104966E+03 -0.412963E-06 0.100000E-04    0.995007E+00
  73   -0.217880E-04    0.103017E+03  0.211498E-06 0.100000E-04    0.994331E+00
  74    0.297939E-04    0.998992E+02 -0.298240E-06 0.100000E-04    0.998612E+00
  75    0.486952E-04    0.964061E+02 -0.505105E-06 0.100000E-04    0.992399E+00
  76    0.273458E-04    0.951017E+02 -0.287543E-06 0.100000E-04    0.997228E+00
  77    0.611594E-04    0.920941E+02 -0.664097E-06 0.100000E-04    0.997364E+00
  78   -0.215591E-07    0.904183E+02  0.238437E-09 0.100000E-04    0.327388E+01
  79    0.185042E-04    0.897625E+02 -0.206147E-06 0.100000E-04    0.990158E+00
  80    0.187379E-04    0.848026E+02 -0.220959E-06 0.100000E-04    0.994487E+00
  81    0.183197E-04    0.809145E+02 -0.226408E-06 0.100000E-04    0.998220E+00
  82    0.689444E-05    0.796401E+02 -0.865699E-07 0.100000E-04    0.989864E+00
  83    0.139647E-04    0.783829E+02 -0.178160E-06 0.100000E-04    0.995912E+00
  84    0.302826E-04    0.727282E+02 -0.416381E-06 0.100000E-04    0.993297E+00
  85    0.403454E-04    0.719148E+02 -0.561017E-06 0.100000E-04    0.993737E+00
  86    0.134319E-04    0.683031E+02 -0.196652E-06 0.100000E-04    0.978480E+00
  87    0.377470E-04    0.673828E+02 -0.560187E-06 0.100000E-04    0.993101E+00
  88    0.996480E-06    0.633489E+02 -0.157300E-07 0.100000E-04    0.937784E+00
  89    0.479394E-04    0.607812E+02 -0.788722E-06 0.100000E-04    0.994310E+00
  90    0.237703E-04    0.596765E+02 -0.398319E-06 0.100000E-04    0.990875E+00
  91   -0.206123E-06    0.589966E+02  0.349382E-08 0.100000E-04    0.843433E+00
  92    0.562722E-04    0.559801E+02 -0.100522E-05 0.100000E-04    0.996983E+00
  93   -0.367332E-04    0.530385E+02  0.692576E-06 0.100000E-04    0.998787E+00
  94   -0.383314E-04    0.522378E+02  0.733786E-06 0.100000E-04    0.996133E+00
  95   -0.304348E-04    0.501662E+02  0.606679E-06 0.100000E-04    0.997150E+00
  96   -0.106941E-04    0.477789E+02  0.223824E-06 0.100000E-04    0.992717E+00
  97    0.364799E-04    0.430010E+02 -0.848351E-06 0.100000E-04    0.990278E+00
  98    0.320940E-04    0.402249E+02 -0.797865E-06 0.100000E-04    0.992327E+00
  99    0.104021E-03    0.371482E+02 -0.280017E-05 0.100000E-04    0.993103E+00
 100   -0.113884E-03    0.358902E+02  0.317312E-05 0.100000E-04    0.998895E+00
 101    0.537326E-05    0.353714E+02 -0.151910E-06 0.100000E-04    0.909660E+00
 102   -0.881676E-04    0.288513E+02  0.305593E-05 0.100000E-04    0.995947E+00
 103   -0.126008E-04    0.287211E+02  0.438732E-06 0.100000E-04    0.971497E+00
 104    0.621918E-04    0.280413E+02 -0.221786E-05 0.100000E-04    0.997987E+00
 105   -0.469311E-04    0.229182E+02  0.204776E-05 0.100000E-04    0.990933E+00
 106   -0.661191E-05    0.217450E+02  0.304066E-06 0.100000E-04    0.917106E+00
 107   -0.122797E-03    0.200826E+02  0.611462E-05 0.100000E-04    0.994043E+00
 108   -0.288360E-04    0.168247E+02  0.171391E-05 0.100000E-04    0.965700E+00
 109   -0.780411E-04    0.137715E+02  0.566686E-05 0.100000E-04    0.991176E+00
 110    0.236327E-02    0.122807E+02 -0.100000E-04 0.100000E-04    0.606380E+00
 111    0.481468E-02    0.985261E+01 -0.100000E-04 0.100000E-04    0.922219E+00
 112    0.174898E-02    0.946220E+01 -0.114567E-04 0.114567E-04    0.125553E+00
 113   -0.157739E-01    0.745326E+01  0.135708E-04 0.135708E-04    0.126395E+00
 114   -0.539082E+00    0.451634E+01 -0.400000E-03 0.400000E-03    0.372610E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1177087836    

 Beginning of optimization cycle  265.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3719796720
 potential> RMS force:                                               0.0506826383   |gradient|=.5411424947    
 Eigenvalues of the Hessian matrix:
   729.44002    672.95573    626.15694    604.48087    588.86974    568.73826 
   566.36721    481.36823    466.53415    461.77405    441.33802    430.18093 
   421.52003    407.41540    397.70967    388.84105    367.49924    362.32469 
   351.31515    337.69569    325.24015    321.55499    319.70486    314.36540 
   304.59134    288.06845    279.12610    270.74039    266.33544    263.68439 
   258.80040    253.77263    242.55885    237.75093    235.67100    228.67942 
   221.49523    213.26750    211.94815    207.87167    203.40515    197.87105 
   195.45159    191.58816    184.93905    175.85719    171.45929    167.61323 
   165.40014    159.62276    153.66608    151.04146    149.06171    143.10990 
   136.99687    135.55978    130.77794    127.79774    126.05933    125.50863 
   119.61862    118.00843    116.89806    111.43772    108.50566    104.96260 
   103.01880     99.89675     96.39760     95.10041     92.10629     90.41563 
    89.76683     84.80536     80.91471     79.64295     78.38134     72.72821 
    71.91899     68.30258     67.37151     63.34779     60.77108     59.67726 
    58.99834     55.98124     53.03433     52.23832     50.16478     47.77620 
    42.99843     40.22724     37.15170     35.89545     35.36091     28.85061 
    28.72034     28.03302     22.91821     21.74070     20.08737     16.82476 
    13.77162     12.27989      9.85092      9.45498      7.45004      4.51257 
overlap for current and previous eigenvector    109 is         0.9999994492
overlap for current and previous eigenvector    110 is         0.9999993402
overlap for current and previous eigenvector    111 is         0.9998959632
overlap for current and previous eigenvector    112 is         0.9998926666
overlap for current and previous eigenvector    113 is         0.9999958291
overlap for current and previous eigenvector    114 is         0.9999996654
J1,K1,R1,R2,RAT=   7   7   -0.9454920409E-02     2.009286775        0.9905450796    
FOB,PFOB,DIAG,PSTEP=   -0.2476945725E-05   -0.2453743822E-05     729.4400208        0.3364156150E-08
J1,K1,R1,R2,RAT=   8   8   -0.9087834984E-02     2.009054966        0.9909121650    
FOB,PFOB,DIAG,PSTEP=   -0.3481363418E-05   -0.3450009783E-05     672.9557296        0.5126736175E-08
J1,K1,R1,R2,RAT=   9   9    0.5226846384E-01     1.947688739        0.9476887387    
FOB,PFOB,DIAG,PSTEP=    0.3770192990E-06    0.3978128083E-06     626.1569399       -0.6353380372E-09
J1,K1,R1,R2,RAT=  10  10    0.4945485656E-02     1.995062304        0.9950545143    
FOB,PFOB,DIAG,PSTEP=    0.1747055739E-05    0.1755738686E-05     604.4808655       -0.2904528411E-08
J1,K1,R1,R2,RAT=  11  11    0.1150511740E-01     1.988524040        0.9884948826    
FOB,PFOB,DIAG,PSTEP=   -0.1157882258E-05   -0.1171358681E-05     588.8697442        0.1989135315E-08
J1,K1,R1,R2,RAT= 109 109   -0.5917353536E-02     2.005897095        0.9940826465    
FOB,PFOB,DIAG,PSTEP=   -0.7850293091E-04   -0.7804112928E-04     13.77162370        0.5666864089E-05
J1,K1,R1,R2,RAT= 110 110   -0.3894999890         38.87962178        0.6105000110    
FOB,PFOB,DIAG,PSTEP=    0.2411103288E-02    0.2363273102E-02     12.27989412       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.8067189944E-01     97.83144025        0.9193281006    
FOB,PFOB,DIAG,PSTEP=    0.4822623310E-02    0.4814676383E-02     9.850922841       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7490898501         33.04104529        0.2509101499    
FOB,PFOB,DIAG,PSTEP=    0.1830125155E-02    0.1748981462E-02     9.454984546       -0.1145671301E-04
J1,K1,R1,R2,RAT= 113 113   -0.7555026534         312.7934338        0.2444973466    
FOB,PFOB,DIAG,PSTEP=   -0.1585032788E-01   -0.1577394449E-01     7.450037541        0.1357076884E-04
J1,K1,R1,R2,RAT= 114 114    0.9961846266        -598.3078919        0.3815373397E-02
FOB,PFOB,DIAG,PSTEP=   -0.5408802524       -0.5390821115         4.512569442       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002      0.00002      0.00000      0.00003 
    -0.00000     -0.00001      0.00000     -0.00002      0.00000     -0.00004 
     0.00002      0.00003      0.00005      0.00003     -0.00006     -0.00000 
     0.00002     -0.00002     -0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004     -0.00001     -0.00004     -0.00000     -0.00005     -0.00002 
     0.00000     -0.00006      0.00004      0.00004     -0.00003     -0.00001 
     0.00004      0.00003      0.00010     -0.00011      0.00001     -0.00009 
    -0.00001      0.00006     -0.00005     -0.00001     -0.00012     -0.00003 
    -0.00008      0.00241      0.00482      0.00183     -0.01585     -0.54088 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4338568604
 Log product of positive Hessian eigenvalues =          520.0410969472
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5125694420
 Unscaled step for mode    7=        0.0000000034
 Unscaled step for mode    8=        0.0000000052
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000006
 Unscaled step for mode   13=        0.0000000054
 Unscaled step for mode   14=        0.0000000080
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000098
 Unscaled step for mode   17=       -0.0000000081
 Unscaled step for mode   18=       -0.0000000109
 Unscaled step for mode   19=        0.0000000320
 Unscaled step for mode   20=       -0.0000000210
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000120
 Unscaled step for mode   23=        0.0000000008
 Unscaled step for mode   24=        0.0000000000
 Unscaled step for mode   25=        0.0000000471
 Unscaled step for mode   26=        0.0000000819
 Unscaled step for mode   27=        0.0000000425
 Unscaled step for mode   28=       -0.0000000212
 Unscaled step for mode   29=       -0.0000000095
 Unscaled step for mode   30=        0.0000000723
 Unscaled step for mode   31=        0.0000000310
 Unscaled step for mode   32=        0.0000000146
 Unscaled step for mode   33=       -0.0000000337
 Unscaled step for mode   34=       -0.0000000246
 Unscaled step for mode   35=       -0.0000000846
 Unscaled step for mode   36=       -0.0000000456
 Unscaled step for mode   37=        0.0000000541
 Unscaled step for mode   38=        0.0000000122
 Unscaled step for mode   39=        0.0000000691
 Unscaled step for mode   40=       -0.0000000158
 Unscaled step for mode   41=        0.0000001215
 Unscaled step for mode   42=        0.0000000358
 Unscaled step for mode   43=       -0.0000000409
 Unscaled step for mode   44=        0.0000000793
 Unscaled step for mode   45=       -0.0000000081
 Unscaled step for mode   46=       -0.0000000830
 Unscaled step for mode   47=        0.0000001353
 Unscaled step for mode   48=       -0.0000000136
 Unscaled step for mode   49=        0.0000000982
 Unscaled step for mode   50=        0.0000000466
 Unscaled step for mode   51=        0.0000000681
 Unscaled step for mode   52=        0.0000000081
 Unscaled step for mode   53=       -0.0000000600
 Unscaled step for mode   54=        0.0000000698
 Unscaled step for mode   55=        0.0000001125
 Unscaled step for mode   56=        0.0000000374
 Unscaled step for mode   57=       -0.0000000416
 Unscaled step for mode   58=        0.0000001310
 Unscaled step for mode   59=        0.0000000202
 Unscaled step for mode   60=        0.0000001280
 Unscaled step for mode   61=       -0.0000001368
 Unscaled step for mode   62=       -0.0000002273
 Unscaled step for mode   63=       -0.0000001665
 Unscaled step for mode   64=       -0.0000001267
 Unscaled step for mode   65=       -0.0000000302
 Unscaled step for mode   66=       -0.0000002013
 Unscaled step for mode   67=        0.0000000346
 Unscaled step for mode   68=        0.0000000691
 Unscaled step for mode   69=       -0.0000000324
 Unscaled step for mode   70=        0.0000001826
 Unscaled step for mode   71=       -0.0000000360
 Unscaled step for mode   72=        0.0000004148
 Unscaled step for mode   73=       -0.0000002123
 Unscaled step for mode   74=       -0.0000002980
 Unscaled step for mode   75=       -0.0000005085
 Unscaled step for mode   76=       -0.0000002864
 Unscaled step for mode   77=        0.0000006639
 Unscaled step for mode   78=        0.0000000010
 Unscaled step for mode   79=       -0.0000002041
 Unscaled step for mode   80=        0.0000002213
 Unscaled step for mode   81=        0.0000002273
 Unscaled step for mode   82=        0.0000000845
 Unscaled step for mode   83=        0.0000001785
 Unscaled step for mode   84=        0.0000004175
 Unscaled step for mode   85=        0.0000005606
 Unscaled step for mode   86=        0.0000001919
 Unscaled step for mode   87=        0.0000005613
 Unscaled step for mode   88=        0.0000000178
 Unscaled step for mode   89=        0.0000007893
 Unscaled step for mode   90=        0.0000003984
 Unscaled step for mode   91=       -0.0000000031
 Unscaled step for mode   92=        0.0000010066
 Unscaled step for mode   93=       -0.0000006906
 Unscaled step for mode   94=       -0.0000007362
 Unscaled step for mode   95=        0.0000006048
 Unscaled step for mode   96=        0.0000002245
 Unscaled step for mode   97=       -0.0000008460
 Unscaled step for mode   98=       -0.0000008000
 Unscaled step for mode   99=       -0.0000028032
 Unscaled step for mode  100=        0.0000031619
 Unscaled step for mode  101=       -0.0000001557
 Unscaled step for mode  102=        0.0000030617
 Unscaled step for mode  103=        0.0000004184
 Unscaled step for mode  104=       -0.0000022350
 Unscaled step for mode  105=        0.0000020453
 Unscaled step for mode  106=        0.0000002929
 Unscaled step for mode  107=        0.0000060771
 Unscaled step for mode  108=        0.0000017163
 Unscaled step for mode  109=        0.0000057003
 Unscaled step for mode  110=       -0.0001963456
 Unscaled step for mode  111=       -0.0004895604
 Unscaled step for mode  112=       -0.0001935619
 Unscaled step for mode  113=        0.0021275404
 Unscaled step for mode  114=       -0.1181865910
 Largest modulus ratio of non-zero e/values=           161.6462705    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.893383E-16    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.928511E-15    0.100728E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.192175E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.145548E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.445824E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.125071E-14    0.973789E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.247695E-05    0.729440E+03  0.339568E-08 0.100000E-04    0.990545E+00
   8   -0.348136E-05    0.672956E+03  0.517324E-08 0.100000E-04    0.990912E+00
   9    0.377019E-06    0.626157E+03 -0.602116E-09 0.100000E-04    0.947689E+00
  10    0.174706E-05    0.604481E+03 -0.289018E-08 0.100000E-04    0.995055E+00
  11   -0.115788E-05    0.588870E+03  0.196628E-08 0.100000E-04    0.988495E+00
  12    0.352298E-06    0.568738E+03 -0.619438E-09 0.100000E-04    0.833283E+00
  13   -0.304972E-05    0.566367E+03  0.538470E-08 0.100000E-04    0.997251E+00
  14   -0.387314E-05    0.481368E+03  0.804611E-08 0.100000E-04    0.989381E+00
  15    0.176341E-05    0.466534E+03 -0.377980E-08 0.100000E-04    0.996271E+00
  16    0.450563E-05    0.461774E+03 -0.975721E-08 0.100000E-04    0.996270E+00
  17    0.357325E-05    0.441338E+03 -0.809640E-08 0.100000E-04    0.996351E+00
  18    0.468219E-05    0.430181E+03 -0.108842E-07 0.100000E-04    0.995595E+00
  19   -0.134742E-04    0.421520E+03  0.319657E-07 0.100000E-04    0.997807E+00
  20    0.855630E-05    0.407415E+03 -0.210014E-07 0.100000E-04    0.995129E+00
  21    0.723603E-05    0.397710E+03 -0.181942E-07 0.100000E-04    0.998144E+00
  22   -0.468242E-05    0.388841E+03  0.120420E-07 0.100000E-04    0.987586E+00
  23   -0.281254E-06    0.367499E+03  0.765319E-09 0.100000E-04    0.861995E+00
  24   -0.110378E-07    0.362325E+03  0.304638E-10 0.100000E-04    0.305311E+00
  25   -0.165574E-04    0.351315E+03  0.471297E-07 0.100000E-04    0.997701E+00
  26   -0.276675E-04    0.337696E+03  0.819302E-07 0.100000E-04    0.996785E+00
  27   -0.138183E-04    0.325240E+03  0.424866E-07 0.100000E-04    0.996958E+00
  28    0.680273E-05    0.321555E+03 -0.211557E-07 0.100000E-04    0.984514E+00
  29    0.303072E-05    0.319705E+03 -0.947974E-08 0.100000E-04    0.979472E+00
  30   -0.227133E-04    0.314365E+03  0.722514E-07 0.100000E-04    0.996512E+00
  31   -0.945322E-05    0.304591E+03  0.310357E-07 0.100000E-04    0.990858E+00
  32   -0.421705E-05    0.288068E+03  0.146391E-07 0.100000E-04    0.986935E+00
  33    0.939422E-05    0.279126E+03 -0.336558E-07 0.100000E-04    0.996358E+00
  34    0.665775E-05    0.270740E+03 -0.245909E-07 0.100000E-04    0.993202E+00
  35    0.225242E-04    0.266335E+03 -0.845708E-07 0.100000E-04    0.997049E+00
  36    0.120218E-04    0.263684E+03 -0.455918E-07 0.100000E-04    0.990442E+00
  37   -0.139894E-04    0.258800E+03  0.540547E-07 0.100000E-04    0.995997E+00
  38   -0.309998E-05    0.253773E+03  0.122156E-07 0.100000E-04    0.991126E+00
  39   -0.167714E-04    0.242559E+03  0.691438E-07 0.100000E-04    0.998023E+00
  40    0.375297E-05    0.237751E+03 -0.157853E-07 0.100000E-04    0.943107E+00
  41   -0.286412E-04    0.235671E+03  0.121530E-06 0.100000E-04    0.991264E+00
  42   -0.819613E-05    0.228679E+03  0.358411E-07 0.100000E-04    0.988479E+00
  43    0.905724E-05    0.221495E+03 -0.408913E-07 0.100000E-04    0.990138E+00
  44   -0.169196E-04    0.213267E+03  0.793352E-07 0.100000E-04    0.989832E+00
  45    0.171052E-05    0.211948E+03 -0.807045E-08 0.100000E-04    0.979933E+00
  46    0.172500E-04    0.207872E+03 -0.829839E-07 0.100000E-04    0.993614E+00
  47   -0.275258E-04    0.203405E+03  0.135325E-06 0.100000E-04    0.996380E+00
  48    0.269408E-05    0.197871E+03 -0.136153E-07 0.100000E-04    0.993042E+00
  49   -0.191868E-04    0.195452E+03  0.981665E-07 0.100000E-04    0.994343E+00
  50   -0.892691E-05    0.191588E+03  0.465942E-07 0.100000E-04    0.994101E+00
  51   -0.125894E-04    0.184939E+03  0.680730E-07 0.100000E-04    0.995693E+00
  52   -0.142876E-05    0.175857E+03  0.812453E-08 0.100000E-04    0.980566E+00
  53    0.102840E-04    0.171459E+03 -0.599793E-07 0.100000E-04    0.998816E+00
  54   -0.117027E-04    0.167613E+03  0.698194E-07 0.100000E-04    0.993343E+00
  55   -0.186070E-04    0.165400E+03  0.112497E-06 0.100000E-04    0.997684E+00
  56   -0.597683E-05    0.159623E+03  0.374435E-07 0.100000E-04    0.993246E+00
  57    0.638500E-05    0.153666E+03 -0.415511E-07 0.100000E-04    0.998847E+00
  58   -0.197842E-04    0.151041E+03  0.130985E-06 0.100000E-04    0.996390E+00
  59   -0.301843E-05    0.149062E+03  0.202495E-07 0.100000E-04    0.975225E+00
  60   -0.183196E-04    0.143110E+03  0.128011E-06 0.100000E-04    0.997935E+00
  61    0.187407E-04    0.136997E+03 -0.136797E-06 0.100000E-04    0.996742E+00
  62    0.308154E-04    0.135560E+03 -0.227320E-06 0.100000E-04    0.999955E+00
  63    0.217712E-04    0.130778E+03 -0.166475E-06 0.100000E-04    0.999110E+00
  64    0.161877E-04    0.127798E+03 -0.126667E-06 0.100000E-04    0.992703E+00
  65    0.380420E-05    0.126059E+03 -0.301779E-07 0.100000E-04    0.975229E+00
  66    0.252694E-04    0.125509E+03 -0.201336E-06 0.100000E-04    0.999600E+00
  67   -0.414168E-05    0.119619E+03  0.346241E-07 0.100000E-04    0.978212E+00
  68   -0.815430E-05    0.118008E+03  0.690993E-07 0.100000E-04    0.999612E+00
  69    0.378236E-05    0.116898E+03 -0.323560E-07 0.100000E-04    0.998332E+00
  70   -0.203430E-04    0.111438E+03  0.182550E-06 0.100000E-04    0.992614E+00
  71    0.390180E-05    0.108506E+03 -0.359594E-07 0.100000E-04    0.985839E+00
  72   -0.435429E-04    0.104963E+03  0.414842E-06 0.100000E-04    0.995481E+00
  73    0.218658E-04    0.103019E+03 -0.212250E-06 0.100000E-04    0.996430E+00
  74    0.297656E-04    0.998967E+02 -0.297964E-06 0.100000E-04    0.999051E+00
  75    0.490224E-04    0.963976E+02 -0.508543E-06 0.100000E-04    0.993282E+00
  76    0.272382E-04    0.951004E+02 -0.286415E-06 0.100000E-04    0.996064E+00
  77   -0.611494E-04    0.921063E+02  0.663900E-06 0.100000E-04    0.999572E+00
  78   -0.934907E-07    0.904156E+02  0.103401E-08 0.100000E-04    0.233659E+01
  79    0.183237E-04    0.897668E+02 -0.204126E-06 0.100000E-04    0.990148E+00
  80   -0.187658E-04    0.848054E+02  0.221281E-06 0.100000E-04    0.998511E+00
  81   -0.183905E-04    0.809147E+02  0.227283E-06 0.100000E-04    0.996133E+00
  82   -0.673046E-05    0.796429E+02  0.845079E-07 0.100000E-04    0.976146E+00
  83   -0.139875E-04    0.783813E+02  0.178455E-06 0.100000E-04    0.998364E+00
  84   -0.303627E-04    0.727282E+02  0.417482E-06 0.100000E-04    0.997355E+00
  85   -0.403162E-04    0.719190E+02  0.560578E-06 0.100000E-04    0.999160E+00
  86   -0.131096E-04    0.683026E+02  0.191935E-06 0.100000E-04    0.976007E+00
  87   -0.378141E-04    0.673715E+02  0.561277E-06 0.100000E-04    0.998221E+00
  88   -0.112853E-05    0.633478E+02  0.178149E-07 0.100000E-04    0.867477E+00
  89   -0.479665E-04    0.607711E+02  0.789298E-06 0.100000E-04    0.999435E+00
  90   -0.237759E-04    0.596773E+02  0.398407E-06 0.100000E-04    0.999765E+00
  91    0.179989E-06    0.589983E+02 -0.305075E-08 0.100000E-04    0.873158E+00
  92   -0.563486E-04    0.559812E+02  0.100656E-05 0.100000E-04    0.998642E+00
  93    0.366238E-04    0.530343E+02 -0.690567E-06 0.100000E-04    0.997020E+00
  94    0.384570E-04    0.522383E+02 -0.736183E-06 0.100000E-04    0.996723E+00
  95   -0.303414E-04    0.501648E+02  0.604834E-06 0.100000E-04    0.996930E+00
  96   -0.107253E-04    0.477762E+02  0.224491E-06 0.100000E-04    0.997079E+00
  97    0.363766E-04    0.429984E+02 -0.845999E-06 0.100000E-04    0.997168E+00
  98    0.321826E-04    0.402272E+02 -0.800021E-06 0.100000E-04    0.997238E+00
  99    0.104145E-03    0.371517E+02 -0.280324E-05 0.100000E-04    0.998809E+00
 100   -0.113497E-03    0.358954E+02  0.316187E-05 0.100000E-04    0.996308E+00
 101    0.550508E-05    0.353609E+02 -0.155683E-06 0.100000E-04    0.975460E+00
 102   -0.883312E-04    0.288506E+02  0.306168E-05 0.100000E-04    0.998144E+00
 103   -0.120152E-04    0.287203E+02  0.418351E-06 0.100000E-04    0.953521E+00
 104    0.626539E-04    0.280330E+02 -0.223500E-05 0.100000E-04    0.992568E+00
 105   -0.468754E-04    0.229182E+02  0.204533E-05 0.100000E-04    0.998813E+00
 106   -0.636806E-05    0.217407E+02  0.292910E-06 0.100000E-04    0.963112E+00
 107   -0.122072E-03    0.200874E+02  0.607707E-05 0.100000E-04    0.993619E+00
 108   -0.288768E-04    0.168248E+02  0.171633E-05 0.100000E-04    0.998584E+00
 109   -0.785029E-04    0.137716E+02  0.570034E-05 0.100000E-04    0.994083E+00
 110    0.241110E-02    0.122799E+02 -0.100000E-04 0.100000E-04    0.610500E+00
 111    0.482262E-02    0.985092E+01 -0.100000E-04 0.100000E-04    0.919328E+00
 112    0.183013E-02    0.945498E+01 -0.103214E-04 0.103214E-04    0.250910E+00
 113   -0.158503E-01    0.745004E+01  0.122259E-04 0.122259E-04    0.244497E+00
 114   -0.540880E+00    0.451257E+01 -0.400000E-03 0.400000E-03    0.381537E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1181865910    

 Beginning of optimization cycle  266.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3717632433
 potential> RMS force:                                               0.0508511156   |gradient|=.5429413401    
 Eigenvalues of the Hessian matrix:
   729.50142    672.96678    626.17023    604.47847    588.86114    568.77968 
   566.37884    481.39153    466.51091    461.76601    441.33840    430.17269 
   421.52553    407.42465    397.70492    388.84166    367.50459    362.31538 
   351.30750    337.66769    325.24916    321.55349    319.71639    314.33709 
   304.58318    288.07547    279.12060    270.73850    266.34312    263.69380 
   258.81076    253.77521    242.55369    237.75209    235.66762    228.67799 
   221.47501    213.27490    211.95305    207.86157    203.40806    197.86634 
   195.44953    191.58762    184.92875    175.84441    171.46544    167.61087 
   165.39585    159.61417    153.66989    151.04462    149.05781    143.11253 
   136.99795    135.56457    130.77624    127.80084    126.05917    125.51201 
   119.62048    118.00932    116.90029    111.43102    108.49524    104.95934 
   103.02026     99.89437     96.38909     95.09906     92.11853     90.41309 
    89.77097     84.80807     80.91486     79.64574     78.37982     72.72830 
    71.92322     68.30216     67.36018     63.34661     60.76104     59.67800 
    59.00000     55.98240     53.03016     52.23887     50.16334     47.77347 
    42.99586     40.22962     37.15526     35.90066     35.35038     28.84991 
    28.71958     28.02472     22.91824     21.73637     20.09217     16.82484 
    13.77177     12.27915      9.84938      9.44756      7.44678      4.50879 
overlap for current and previous eigenvector    109 is         0.9999994492
overlap for current and previous eigenvector    110 is         0.9999993439
overlap for current and previous eigenvector    111 is         0.9999007530
overlap for current and previous eigenvector    112 is         0.9998973292
overlap for current and previous eigenvector    113 is         0.9999957677
overlap for current and previous eigenvector    114 is         0.9999996718
J1,K1,R1,R2,RAT=   7   7   -0.1077846774E-01     2.010610140        0.9892215323    
FOB,PFOB,DIAG,PSTEP=   -0.2503645652E-05   -0.2476945725E-05     729.5014185        0.3395681145E-08
J1,K1,R1,R2,RAT=   8   8   -0.1350937358E-02     2.001318088        0.9986490626    
FOB,PFOB,DIAG,PSTEP=   -0.3486066599E-05   -0.3481363418E-05     672.9667829        0.5173242852E-08
J1,K1,R1,R2,RAT=   9   9   -0.3162517086E-01     2.031582737        0.9683748291    
FOB,PFOB,DIAG,PSTEP=    0.3889428517E-06    0.3770192990E-06     626.1702254       -0.6021162986E-09
J1,K1,R1,R2,RAT=  10  10   -0.9683947196E-02     2.009691880        0.9903160528    
FOB,PFOB,DIAG,PSTEP=    0.1763974068E-05    0.1747055739E-05     604.4784679       -0.2890175420E-08
J1,K1,R1,R2,RAT=  11  11   -0.2129335334E-01     2.021322563        0.9787066467    
FOB,PFOB,DIAG,PSTEP=   -0.1182537094E-05   -0.1157882258E-05     588.8611440        0.1966279079E-08
J1,K1,R1,R2,RAT= 109 109    0.8899200093E-02     1.991080153        0.9910801526    
FOB,PFOB,DIAG,PSTEP=   -0.7780431041E-04   -0.7850293091E-04     13.77176588        0.5700339525E-05
J1,K1,R1,R2,RAT= 110 110   -0.4026968133         39.67420668        0.5973031867    
FOB,PFOB,DIAG,PSTEP=    0.2460551023E-02    0.2411103288E-02     12.27914738       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3247117173E-01     97.95989275        0.9675288283    
FOB,PFOB,DIAG,PSTEP=    0.4825821520E-02    0.4822623310E-02     9.849382802       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8987148203         38.43523647        0.1012851797    
FOB,PFOB,DIAG,PSTEP=    0.1917760372E-02    0.1830125155E-02     9.447561002       -0.1032136307E-04
J1,K1,R1,R2,RAT= 113 113   -0.9008794980         349.0922181        0.9912050198E-01
FOB,PFOB,DIAG,PSTEP=   -0.1593234735E-01   -0.1585032788E-01     7.446784880        0.1222591787E-04
J1,K1,R1,R2,RAT= 114 114    0.9962546018        -600.8033007        0.3745398191E-02
FOB,PFOB,DIAG,PSTEP=   -0.5426770117       -0.5408802524         4.508785416       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000      0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002     -0.00000      0.00002 
     0.00002      0.00003     -0.00002     -0.00002     -0.00000     -0.00003 
    -0.00000     -0.00001      0.00000      0.00002      0.00000     -0.00004 
     0.00002      0.00003      0.00005      0.00003      0.00006     -0.00000 
     0.00002     -0.00002     -0.00002     -0.00001     -0.00001     -0.00003 
    -0.00004     -0.00001     -0.00004     -0.00000     -0.00005     -0.00002 
     0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
    -0.00004      0.00003      0.00010     -0.00011      0.00001      0.00009 
     0.00001     -0.00006     -0.00005     -0.00001     -0.00012     -0.00003 
    -0.00008      0.00246      0.00483      0.00192     -0.01593     -0.54268 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4337569560
 Log product of positive Hessian eigenvalues =          520.0379373595
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5087854163
 Unscaled step for mode    7=        0.0000000034
 Unscaled step for mode    8=        0.0000000052
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000006
 Unscaled step for mode   13=        0.0000000054
 Unscaled step for mode   14=        0.0000000080
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000098
 Unscaled step for mode   17=       -0.0000000082
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000321
 Unscaled step for mode   20=       -0.0000000211
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000121
 Unscaled step for mode   23=        0.0000000008
 Unscaled step for mode   24=       -0.0000000000
 Unscaled step for mode   25=        0.0000000473
 Unscaled step for mode   26=        0.0000000822
 Unscaled step for mode   27=        0.0000000427
 Unscaled step for mode   28=       -0.0000000216
 Unscaled step for mode   29=       -0.0000000097
 Unscaled step for mode   30=        0.0000000723
 Unscaled step for mode   31=        0.0000000312
 Unscaled step for mode   32=        0.0000000146
 Unscaled step for mode   33=       -0.0000000338
 Unscaled step for mode   34=       -0.0000000248
 Unscaled step for mode   35=       -0.0000000845
 Unscaled step for mode   36=       -0.0000000458
 Unscaled step for mode   37=        0.0000000543
 Unscaled step for mode   38=        0.0000000122
 Unscaled step for mode   39=        0.0000000693
 Unscaled step for mode   40=       -0.0000000149
 Unscaled step for mode   41=        0.0000001221
 Unscaled step for mode   42=        0.0000000358
 Unscaled step for mode   43=       -0.0000000411
 Unscaled step for mode   44=        0.0000000795
 Unscaled step for mode   45=       -0.0000000080
 Unscaled step for mode   46=       -0.0000000834
 Unscaled step for mode   47=        0.0000001354
 Unscaled step for mode   48=       -0.0000000138
 Unscaled step for mode   49=        0.0000000985
 Unscaled step for mode   50=        0.0000000471
 Unscaled step for mode   51=        0.0000000684
 Unscaled step for mode   52=        0.0000000082
 Unscaled step for mode   53=       -0.0000000604
 Unscaled step for mode   54=        0.0000000704
 Unscaled step for mode   55=        0.0000001126
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=       -0.0000000422
 Unscaled step for mode   58=        0.0000001315
 Unscaled step for mode   59=        0.0000000199
 Unscaled step for mode   60=       -0.0000001287
 Unscaled step for mode   61=       -0.0000001381
 Unscaled step for mode   62=       -0.0000002276
 Unscaled step for mode   63=        0.0000001673
 Unscaled step for mode   64=        0.0000001280
 Unscaled step for mode   65=        0.0000000319
 Unscaled step for mode   66=        0.0000002016
 Unscaled step for mode   67=        0.0000000344
 Unscaled step for mode   68=        0.0000000694
 Unscaled step for mode   69=       -0.0000000328
 Unscaled step for mode   70=       -0.0000001827
 Unscaled step for mode   71=       -0.0000000359
 Unscaled step for mode   72=        0.0000004169
 Unscaled step for mode   73=       -0.0000002134
 Unscaled step for mode   74=       -0.0000002984
 Unscaled step for mode   75=       -0.0000005124
 Unscaled step for mode   76=       -0.0000002855
 Unscaled step for mode   77=       -0.0000006655
 Unscaled step for mode   78=        0.0000000012
 Unscaled step for mode   79=       -0.0000002021
 Unscaled step for mode   80=        0.0000002225
 Unscaled step for mode   81=        0.0000002277
 Unscaled step for mode   82=        0.0000000836
 Unscaled step for mode   83=        0.0000001792
 Unscaled step for mode   84=        0.0000004202
 Unscaled step for mode   85=        0.0000005640
 Unscaled step for mode   86=        0.0000001876
 Unscaled step for mode   87=        0.0000005651
 Unscaled step for mode   88=        0.0000000168
 Unscaled step for mode   89=        0.0000007939
 Unscaled step for mode   90=        0.0000004021
 Unscaled step for mode   91=       -0.0000000023
 Unscaled step for mode   92=        0.0000010095
 Unscaled step for mode   93=       -0.0000006898
 Unscaled step for mode   94=       -0.0000007390
 Unscaled step for mode   95=       -0.0000006031
 Unscaled step for mode   96=       -0.0000002228
 Unscaled step for mode   97=        0.0000008542
 Unscaled step for mode   98=       -0.0000008061
 Unscaled step for mode   99=       -0.0000028219
 Unscaled step for mode  100=        0.0000031647
 Unscaled step for mode  101=       -0.0000001683
 Unscaled step for mode  102=       -0.0000030739
 Unscaled step for mode  103=       -0.0000004053
 Unscaled step for mode  104=        0.0000022400
 Unscaled step for mode  105=        0.0000020639
 Unscaled step for mode  106=        0.0000003163
 Unscaled step for mode  107=        0.0000061113
 Unscaled step for mode  108=        0.0000016550
 Unscaled step for mode  109=        0.0000056496
 Unscaled step for mode  110=       -0.0002003845
 Unscaled step for mode  111=       -0.0004899617
 Unscaled step for mode  112=       -0.0002029900
 Unscaled step for mode  113=        0.0021394836
 Unscaled step for mode  114=       -0.1186650750
 Largest modulus ratio of non-zero e/values=           161.7955505    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.563785E-16    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.199493E-15    0.100728E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.413510E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.248228E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.840040E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.930950E-15    0.973791E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.250365E-05    0.729501E+03  0.343200E-08 0.100000E-04    0.989222E+00
   8   -0.348607E-05    0.672967E+03  0.518015E-08 0.100000E-04    0.998649E+00
   9    0.388943E-06    0.626170E+03 -0.621146E-09 0.100000E-04    0.968375E+00
  10    0.176397E-05    0.604478E+03 -0.291818E-08 0.100000E-04    0.990316E+00
  11   -0.118254E-05    0.588861E+03  0.200818E-08 0.100000E-04    0.978707E+00
  12    0.352569E-06    0.568780E+03 -0.619869E-09 0.100000E-04    0.999231E+00
  13   -0.306762E-05    0.566379E+03  0.541619E-08 0.100000E-04    0.994131E+00
  14   -0.385677E-05    0.481392E+03  0.801171E-08 0.100000E-04    0.995676E+00
  15    0.177116E-05    0.466511E+03 -0.379661E-08 0.100000E-04    0.995603E+00
  16    0.453827E-05    0.461766E+03 -0.982808E-08 0.100000E-04    0.992755E+00
  17    0.362510E-05    0.441338E+03 -0.821388E-08 0.100000E-04    0.985489E+00
  18    0.472506E-05    0.430173E+03 -0.109841E-07 0.100000E-04    0.990844E+00
  19   -0.135331E-04    0.421526E+03  0.321050E-07 0.100000E-04    0.995630E+00
  20    0.858756E-05    0.407425E+03 -0.210777E-07 0.100000E-04    0.996346E+00
  21    0.726159E-05    0.397705E+03 -0.182587E-07 0.100000E-04    0.996467E+00
  22   -0.469717E-05    0.388842E+03  0.120799E-07 0.100000E-04    0.996849E+00
  23   -0.309887E-06    0.367505E+03  0.843221E-09 0.100000E-04    0.898195E+00
  24    0.997715E-09    0.362315E+03 -0.275372E-11 0.109000E-04    0.903674E-01
  25   -0.166277E-04    0.351308E+03  0.473308E-07 0.100000E-04    0.995754E+00
  26   -0.277520E-04    0.337668E+03  0.821872E-07 0.100000E-04    0.996946E+00
  27   -0.138750E-04    0.325249E+03  0.426596E-07 0.100000E-04    0.995901E+00
  28    0.693375E-05    0.321553E+03 -0.215633E-07 0.100000E-04    0.980740E+00
  29    0.308782E-05    0.319716E+03 -0.965800E-08 0.100000E-04    0.981160E+00
  30   -0.227288E-04    0.314337E+03  0.723072E-07 0.100000E-04    0.999317E+00
  31   -0.950228E-05    0.304583E+03  0.311976E-07 0.100000E-04    0.994810E+00
  32   -0.421155E-05    0.288075E+03  0.146196E-07 0.100000E-04    0.998645E+00
  33    0.942957E-05    0.279121E+03 -0.337831E-07 0.100000E-04    0.996238E+00
  34    0.670980E-05    0.270738E+03 -0.247833E-07 0.100000E-04    0.992182E+00
  35    0.225162E-04    0.266343E+03 -0.845385E-07 0.100000E-04    0.999589E+00
  36    0.120750E-04    0.263694E+03 -0.457918E-07 0.100000E-04    0.995576E+00
  37   -0.140611E-04    0.258811E+03  0.543297E-07 0.100000E-04    0.994872E+00
  38   -0.309054E-05    0.253775E+03  0.121783E-07 0.100000E-04    0.996935E+00
  39   -0.168141E-04    0.242554E+03  0.693210E-07 0.100000E-04    0.997459E+00
  40    0.354111E-05    0.237752E+03 -0.148941E-07 0.100000E-04    0.943539E+00
  41   -0.287709E-04    0.235668E+03  0.122082E-06 0.100000E-04    0.995472E+00
  42   -0.818416E-05    0.228678E+03  0.357890E-07 0.100000E-04    0.998541E+00
  43    0.909825E-05    0.221475E+03 -0.410803E-07 0.100000E-04    0.995471E+00
  44   -0.169622E-04    0.213275E+03  0.795320E-07 0.100000E-04    0.997484E+00
  45    0.169766E-05    0.211953E+03 -0.800958E-08 0.100000E-04    0.992434E+00
  46    0.173291E-04    0.207862E+03 -0.833682E-07 0.100000E-04    0.995417E+00
  47   -0.275429E-04    0.203408E+03  0.135407E-06 0.100000E-04    0.999380E+00
  48    0.273526E-05    0.197866E+03 -0.138238E-07 0.100000E-04    0.984715E+00
  49   -0.192421E-04    0.195450E+03  0.984505E-07 0.100000E-04    0.997118E+00
  50   -0.902096E-05    0.191588E+03  0.470853E-07 0.100000E-04    0.989464E+00
  51   -0.126444E-04    0.184929E+03  0.683742E-07 0.100000E-04    0.995631E+00
  52   -0.144965E-05    0.175844E+03  0.824391E-08 0.100000E-04    0.985379E+00
  53    0.103520E-04    0.171465E+03 -0.603737E-07 0.100000E-04    0.993389E+00
  54   -0.117920E-04    0.167611E+03  0.703535E-07 0.100000E-04    0.992365E+00
  55   -0.186223E-04    0.165396E+03  0.112592E-06 0.100000E-04    0.999180E+00
  56   -0.592982E-05    0.159614E+03  0.371510E-07 0.100000E-04    0.992135E+00
  57    0.648809E-05    0.153670E+03 -0.422210E-07 0.100000E-04    0.983854E+00
  58   -0.198653E-04    0.151045E+03  0.131519E-06 0.100000E-04    0.995901E+00
  59   -0.296919E-05    0.149058E+03  0.199197E-07 0.100000E-04    0.983684E+00
  60    0.184158E-04    0.143113E+03 -0.128680E-06 0.100000E-04    0.994750E+00
  61    0.189261E-04    0.136998E+03 -0.138149E-06 0.100000E-04    0.990109E+00
  62    0.308508E-04    0.135565E+03 -0.227573E-06 0.100000E-04    0.998851E+00
  63   -0.218745E-04    0.130776E+03  0.167267E-06 0.100000E-04    0.995255E+00
  64   -0.163534E-04    0.127801E+03  0.127960E-06 0.100000E-04    0.989769E+00
  65   -0.402080E-05    0.126059E+03  0.318961E-07 0.100000E-04    0.943065E+00
  66   -0.253082E-04    0.125512E+03  0.201639E-06 0.100000E-04    0.998467E+00
  67   -0.411937E-05    0.119620E+03  0.344370E-07 0.100000E-04    0.994582E+00
  68   -0.819266E-05    0.118009E+03  0.694239E-07 0.100000E-04    0.995296E+00
  69    0.383887E-05    0.116900E+03 -0.328388E-07 0.100000E-04    0.985060E+00
  70    0.203532E-04    0.111431E+03 -0.182653E-06 0.100000E-04    0.999497E+00
  71    0.389369E-05    0.108495E+03 -0.358881E-07 0.100000E-04    0.997921E+00
  72   -0.437568E-04    0.104959E+03  0.416893E-06 0.100000E-04    0.995088E+00
  73    0.219884E-04    0.103020E+03 -0.213438E-06 0.100000E-04    0.994391E+00
  74    0.298052E-04    0.998944E+02 -0.298367E-06 0.100000E-04    0.998669E+00
  75    0.493924E-04    0.963891E+02 -0.512427E-06 0.100000E-04    0.992451E+00
  76    0.271513E-04    0.950991E+02 -0.285505E-06 0.100000E-04    0.996808E+00
  77    0.613036E-04    0.921185E+02 -0.665486E-06 0.100000E-04    0.997479E+00
  78   -0.108789E-06    0.904131E+02  0.120325E-08 0.100000E-04    0.836357E+00
  79    0.181404E-04    0.897710E+02 -0.202075E-06 0.100000E-04    0.989906E+00
  80   -0.188678E-04    0.848081E+02  0.222477E-06 0.100000E-04    0.994566E+00
  81   -0.184225E-04    0.809149E+02  0.227678E-06 0.100000E-04    0.998262E+00
  82   -0.665904E-05    0.796457E+02  0.836082E-07 0.100000E-04    0.989318E+00
  83   -0.140455E-04    0.783798E+02  0.179198E-06 0.100000E-04    0.995853E+00
  84   -0.305633E-04    0.727283E+02  0.420239E-06 0.100000E-04    0.993394E+00
  85   -0.405631E-04    0.719232E+02  0.563978E-06 0.100000E-04    0.993876E+00
  86   -0.128167E-04    0.683022E+02  0.187647E-06 0.100000E-04    0.977654E+00
  87   -0.380672E-04    0.673602E+02  0.565130E-06 0.100000E-04    0.993305E+00
  88   -0.106477E-05    0.633466E+02  0.168086E-07 0.100000E-04    0.943497E+00
  89   -0.482358E-04    0.607610E+02  0.793861E-06 0.100000E-04    0.994384E+00
  90   -0.239936E-04    0.596780E+02  0.402051E-06 0.100000E-04    0.990842E+00
  91    0.138172E-06    0.590000E+02 -0.234190E-08 0.100000E-04    0.767620E+00
  92   -0.565157E-04    0.559824E+02  0.100953E-05 0.100000E-04    0.997036E+00
  93    0.365776E-04    0.530302E+02 -0.689751E-06 0.100000E-04    0.998740E+00
  94    0.386032E-04    0.522389E+02 -0.738975E-06 0.100000E-04    0.996197E+00
  95    0.302519E-04    0.501633E+02 -0.603068E-06 0.100000E-04    0.997052E+00
  96    0.106440E-04    0.477735E+02 -0.222801E-06 0.100000E-04    0.992413E+00
  97   -0.367251E-04    0.429959E+02  0.854155E-06 0.100000E-04    0.990420E+00
  98    0.324273E-04    0.402296E+02 -0.806055E-06 0.100000E-04    0.992399E+00
  99    0.104850E-03    0.371553E+02 -0.282194E-05 0.100000E-04    0.993233E+00
 100   -0.113613E-03    0.359007E+02  0.316466E-05 0.100000E-04    0.998971E+00
 101    0.595091E-05    0.353504E+02 -0.168341E-06 0.100000E-04    0.918990E+00
 102    0.886813E-04    0.288499E+02 -0.307388E-05 0.100000E-04    0.996037E+00
 103    0.116407E-04    0.287196E+02 -0.405323E-06 0.100000E-04    0.968832E+00
 104   -0.627754E-04    0.280247E+02  0.224000E-05 0.100000E-04    0.998059E+00
 105   -0.473001E-04    0.229182E+02  0.206386E-05 0.100000E-04    0.990940E+00
 106   -0.687428E-05    0.217364E+02  0.316257E-06 0.100000E-04    0.920491E+00
 107   -0.122788E-03    0.200922E+02  0.611125E-05 0.100000E-04    0.994136E+00
 108   -0.278449E-04    0.168248E+02  0.165499E-05 0.100000E-04    0.964254E+00
 109   -0.778043E-04    0.137718E+02  0.564955E-05 0.100000E-04    0.991080E+00
 110    0.246055E-02    0.122791E+02 -0.100000E-04 0.100000E-04    0.597303E+00
 111    0.482582E-02    0.984938E+01 -0.100000E-04 0.100000E-04    0.967529E+00
 112    0.191776E-02    0.944756E+01 -0.112503E-04 0.112503E-04    0.101285E+00
 113   -0.159323E-01    0.744678E+01  0.133263E-04 0.133263E-04    0.991205E-01
 114   -0.542677E+00    0.450879E+01 -0.400000E-03 0.400000E-03    0.374540E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1186650750    

 Beginning of optimization cycle  267.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3715461177
 potential> RMS force:                                               0.0510194228   |gradient|=.5447383696    
 Eigenvalues of the Hessian matrix:
   729.56279    672.97774    626.18354    604.47595    588.85249    568.82120 
   566.39019    481.41481    466.48761    461.75800    441.33881    430.16456 
   421.53097    407.43381    397.70014    388.84218    367.51001    362.30608 
   351.29985    337.63985    325.25828    321.55197    319.72785    314.30880 
   304.57498    288.08249    279.11514    270.73669    266.35085    263.70323 
   258.82124    253.77777    242.54857    237.75359    235.66402    228.67654 
   221.45478    213.28237    211.95799    207.85152    203.41095    197.86161 
   195.44747    191.58709    184.91847    175.83163    171.47162    167.60857 
   165.39152    159.60556    153.67374    151.04782    149.05378    143.11513 
   136.99904    135.56937    130.77451    127.80399    126.05899    125.51532 
   119.62236    118.01022    116.90251    111.42432    108.48482    104.95606 
   103.02172     99.89200     96.38054     95.09765     92.13079     90.41067 
    89.77497     84.81082     80.91502     79.64855     78.37830     72.72840 
    71.92743     68.30174     67.34876     63.34542     60.75097     59.67876 
    59.00166     55.98356     53.02598     52.23940     50.16190     47.77071 
    42.99333     40.23199     37.15885     35.90583     35.33979     28.84923 
    28.71883     28.01644     22.91832     21.73200     20.09699     16.82491 
    13.77192     12.27841      9.84802      9.44009      7.44348      4.50498 
overlap for current and previous eigenvector    109 is         0.9999994572
overlap for current and previous eigenvector    110 is         0.9999993480
overlap for current and previous eigenvector    111 is         0.9999081868
overlap for current and previous eigenvector    112 is         0.9999046788
overlap for current and previous eigenvector    113 is         0.9999957300
overlap for current and previous eigenvector    114 is         0.9999996688
J1,K1,R1,R2,RAT=   7   7   -0.9380455314E-02     2.009212204        0.9906195447    
FOB,PFOB,DIAG,PSTEP=   -0.2527132964E-05   -0.2503645652E-05     729.5627935        0.3431995591E-08
J1,K1,R1,R2,RAT=   8   8   -0.8940627292E-02     2.008908069        0.9910593727    
FOB,PFOB,DIAG,PSTEP=   -0.3517234729E-05   -0.3486066599E-05     672.9777383        0.5180146610E-08
J1,K1,R1,R2,RAT=   9   9    0.5398627870E-01     1.945971188        0.9459711880    
FOB,PFOB,DIAG,PSTEP=    0.3679448280E-06    0.3889428517E-06     626.1835422       -0.6211455543E-09
J1,K1,R1,R2,RAT=  10  10    0.4747615293E-02     1.995260723        0.9952523847    
FOB,PFOB,DIAG,PSTEP=    0.1755599433E-05    0.1763974068E-05     604.4759478       -0.2918175190E-08
J1,K1,R1,R2,RAT=  11  11    0.1117966095E-01     1.988849739        0.9888203390    
FOB,PFOB,DIAG,PSTEP=   -0.1169316925E-05   -0.1182537094E-05     588.8524879        0.2008176471E-08
J1,K1,R1,R2,RAT= 109 109   -0.5826319771E-02     2.005804515        0.9941736802    
FOB,PFOB,DIAG,PSTEP=   -0.7825762815E-04   -0.7780431041E-04     13.77191603        0.5649552214E-05
J1,K1,R1,R2,RAT= 110 110   -0.3986685810         40.47798393        0.6013314190    
FOB,PFOB,DIAG,PSTEP=    0.2509501180E-02    0.2460551023E-02     12.27840846       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3623361103E-01     98.04219427        0.9637663890    
FOB,PFOB,DIAG,PSTEP=    0.4829389812E-02    0.4825821520E-02     9.848016359       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7702294701         36.88499559        0.2297705299    
FOB,PFOB,DIAG,PSTEP=    0.1999561569E-02    0.1917760372E-02     9.440086544       -0.1125028575E-04
J1,K1,R1,R2,RAT= 113 113   -0.7816292139         322.0188184        0.2183707861    
FOB,PFOB,DIAG,PSTEP=   -0.1600988002E-01   -0.1593234735E-01     7.443479088        0.1332625048E-04
J1,K1,R1,R2,RAT= 114 114    0.9961640124        -603.3044854        0.3835987610E-02
FOB,PFOB,DIAG,PSTEP=   -0.5444720900       -0.5426770117         4.504976874       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002     -0.00003      0.00002      0.00002      0.00000      0.00003 
    -0.00000     -0.00001      0.00000      0.00002     -0.00000      0.00004 
    -0.00002      0.00003      0.00005      0.00003      0.00006     -0.00000 
     0.00002     -0.00002      0.00002      0.00001      0.00001      0.00003 
    -0.00004     -0.00001      0.00004     -0.00000     -0.00005     -0.00002 
     0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
     0.00004     -0.00003     -0.00010      0.00011      0.00001      0.00009 
     0.00001     -0.00006     -0.00005      0.00001     -0.00012     -0.00003 
    -0.00008      0.00251      0.00483      0.00200     -0.01601     -0.54447 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4336557339
 Log product of positive Hessian eigenvalues =          520.0347735822
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5049768736
 Unscaled step for mode    7=        0.0000000035
 Unscaled step for mode    8=        0.0000000052
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000005
 Unscaled step for mode   13=        0.0000000054
 Unscaled step for mode   14=        0.0000000079
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000099
 Unscaled step for mode   17=       -0.0000000082
 Unscaled step for mode   18=       -0.0000000109
 Unscaled step for mode   19=        0.0000000322
 Unscaled step for mode   20=       -0.0000000210
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000122
 Unscaled step for mode   23=        0.0000000007
 Unscaled step for mode   24=        0.0000000001
 Unscaled step for mode   25=        0.0000000474
 Unscaled step for mode   26=        0.0000000825
 Unscaled step for mode   27=        0.0000000428
 Unscaled step for mode   28=       -0.0000000219
 Unscaled step for mode   29=       -0.0000000099
 Unscaled step for mode   30=        0.0000000726
 Unscaled step for mode   31=        0.0000000315
 Unscaled step for mode   32=        0.0000000148
 Unscaled step for mode   33=       -0.0000000339
 Unscaled step for mode   34=       -0.0000000250
 Unscaled step for mode   35=       -0.0000000848
 Unscaled step for mode   36=       -0.0000000462
 Unscaled step for mode   37=        0.0000000545
 Unscaled step for mode   38=        0.0000000121
 Unscaled step for mode   39=        0.0000000695
 Unscaled step for mode   40=       -0.0000000139
 Unscaled step for mode   41=        0.0000001231
 Unscaled step for mode   42=        0.0000000362
 Unscaled step for mode   43=       -0.0000000415
 Unscaled step for mode   44=        0.0000000803
 Unscaled step for mode   45=       -0.0000000078
 Unscaled step for mode   46=       -0.0000000839
 Unscaled step for mode   47=        0.0000001359
 Unscaled step for mode   48=       -0.0000000139
 Unscaled step for mode   49=        0.0000000990
 Unscaled step for mode   50=        0.0000000468
 Unscaled step for mode   51=        0.0000000687
 Unscaled step for mode   52=        0.0000000084
 Unscaled step for mode   53=       -0.0000000604
 Unscaled step for mode   54=        0.0000000708
 Unscaled step for mode   55=        0.0000001129
 Unscaled step for mode   56=        0.0000000374
 Unscaled step for mode   57=       -0.0000000423
 Unscaled step for mode   58=        0.0000001320
 Unscaled step for mode   59=       -0.0000000194
 Unscaled step for mode   60=       -0.0000001289
 Unscaled step for mode   61=        0.0000001386
 Unscaled step for mode   62=        0.0000002276
 Unscaled step for mode   63=       -0.0000001671
 Unscaled step for mode   64=       -0.0000001289
 Unscaled step for mode   65=       -0.0000000327
 Unscaled step for mode   66=       -0.0000002017
 Unscaled step for mode   67=        0.0000000352
 Unscaled step for mode   68=        0.0000000694
 Unscaled step for mode   69=       -0.0000000329
 Unscaled step for mode   70=       -0.0000001840
 Unscaled step for mode   71=        0.0000000364
 Unscaled step for mode   72=       -0.0000004188
 Unscaled step for mode   73=        0.0000002142
 Unscaled step for mode   74=       -0.0000002981
 Unscaled step for mode   75=       -0.0000005159
 Unscaled step for mode   76=       -0.0000002843
 Unscaled step for mode   77=       -0.0000006652
 Unscaled step for mode   78=        0.0000000020
 Unscaled step for mode   79=       -0.0000002001
 Unscaled step for mode   80=        0.0000002228
 Unscaled step for mode   81=       -0.0000002286
 Unscaled step for mode   82=       -0.0000000815
 Unscaled step for mode   83=       -0.0000001795
 Unscaled step for mode   84=       -0.0000004214
 Unscaled step for mode   85=        0.0000005635
 Unscaled step for mode   86=        0.0000001830
 Unscaled step for mode   87=       -0.0000005661
 Unscaled step for mode   88=        0.0000000189
 Unscaled step for mode   89=        0.0000007944
 Unscaled step for mode   90=        0.0000004022
 Unscaled step for mode   91=       -0.0000000019
 Unscaled step for mode   92=        0.0000010108
 Unscaled step for mode   93=       -0.0000006877
 Unscaled step for mode   94=       -0.0000007414
 Unscaled step for mode   95=       -0.0000006012
 Unscaled step for mode   96=       -0.0000002234
 Unscaled step for mode   97=       -0.0000008519
 Unscaled step for mode   98=        0.0000008082
 Unscaled step for mode   99=        0.0000028250
 Unscaled step for mode  100=       -0.0000031534
 Unscaled step for mode  101=       -0.0000001721
 Unscaled step for mode  102=       -0.0000030795
 Unscaled step for mode  103=       -0.0000003848
 Unscaled step for mode  104=        0.0000022573
 Unscaled step for mode  105=        0.0000020615
 Unscaled step for mode  106=       -0.0000003053
 Unscaled step for mode  107=        0.0000060739
 Unscaled step for mode  108=        0.0000016573
 Unscaled step for mode  109=        0.0000056824
 Unscaled step for mode  110=       -0.0002043833
 Unscaled step for mode  111=       -0.0004903920
 Unscaled step for mode  112=       -0.0002118160
 Unscaled step for mode  113=        0.0021508499
 Unscaled step for mode  114=       -0.1191444714
 Largest modulus ratio of non-zero e/values=           161.9459575    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.218792E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.622332E-15    0.100727E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.589698E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.292210E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.268015E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.143922E-14    0.973792E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.252713E-05    0.729563E+03  0.346390E-08 0.100000E-04    0.990620E+00
   8   -0.351723E-05    0.672978E+03  0.522638E-08 0.100000E-04    0.991059E+00
   9    0.367945E-06    0.626184E+03 -0.587599E-09 0.100000E-04    0.945971E+00
  10    0.175560E-05    0.604476E+03 -0.290433E-08 0.100000E-04    0.995252E+00
  11   -0.116932E-05    0.588852E+03  0.198576E-08 0.100000E-04    0.988820E+00
  12    0.282436E-06    0.568821E+03 -0.496529E-09 0.100000E-04    0.800949E+00
  13   -0.307528E-05    0.566390E+03  0.542961E-08 0.100000E-04    0.997503E+00
  14   -0.381518E-05    0.481415E+03  0.792494E-08 0.100000E-04    0.989121E+00
  15    0.176439E-05    0.466488E+03 -0.378228E-08 0.100000E-04    0.996176E+00
  16    0.455521E-05    0.461758E+03 -0.986494E-08 0.100000E-04    0.996267E+00
  17    0.361245E-05    0.441339E+03 -0.818521E-08 0.100000E-04    0.996508E+00
  18    0.470448E-05    0.430165E+03 -0.109365E-07 0.100000E-04    0.995644E+00
  19   -0.135627E-04    0.421531E+03  0.321748E-07 0.100000E-04    0.997814E+00
  20    0.854621E-05    0.407434E+03 -0.209757E-07 0.100000E-04    0.995140E+00
  21    0.724790E-05    0.397700E+03 -0.182245E-07 0.100000E-04    0.998114E+00
  22   -0.475462E-05    0.388842E+03  0.122276E-07 0.100000E-04    0.987771E+00
  23   -0.265164E-06    0.367510E+03  0.721515E-09 0.100000E-04    0.855650E+00
  24   -0.461586E-07    0.362306E+03  0.127402E-09 0.100000E-04    0.442654E+02
  25   -0.166655E-04    0.351300E+03  0.474395E-07 0.100000E-04    0.997725E+00
  26   -0.278398E-04    0.337640E+03  0.824542E-07 0.100000E-04    0.996834E+00
  27   -0.139165E-04    0.325258E+03  0.427861E-07 0.100000E-04    0.997005E+00
  28    0.703818E-05    0.321552E+03 -0.218882E-07 0.100000E-04    0.984939E+00
  29    0.315045E-05    0.319728E+03 -0.985352E-08 0.100000E-04    0.979720E+00
  30   -0.228064E-04    0.314309E+03  0.725606E-07 0.100000E-04    0.996586E+00
  31   -0.958811E-05    0.304575E+03  0.314803E-07 0.100000E-04    0.990967E+00
  32   -0.426576E-05    0.288082E+03  0.148074E-07 0.100000E-04    0.987128E+00
  33    0.946381E-05    0.279115E+03 -0.339065E-07 0.100000E-04    0.996368E+00
  34    0.675566E-05    0.270737E+03 -0.249529E-07 0.100000E-04    0.993165E+00
  35    0.225810E-04    0.266351E+03 -0.847791E-07 0.100000E-04    0.997124E+00
  36    0.121890E-04    0.263703E+03 -0.462225E-07 0.100000E-04    0.990559E+00
  37   -0.141169E-04    0.258821E+03  0.545432E-07 0.100000E-04    0.996031E+00
  38   -0.306207E-05    0.253778E+03  0.120660E-07 0.100000E-04    0.990768E+00
  39   -0.168469E-04    0.242549E+03  0.694578E-07 0.100000E-04    0.998047E+00
  40    0.330953E-05    0.237754E+03 -0.139200E-07 0.100000E-04    0.934591E+00
  41   -0.290149E-04    0.235664E+03  0.123120E-06 0.100000E-04    0.991519E+00
  42   -0.827751E-05    0.228677E+03  0.361975E-07 0.100000E-04    0.988594E+00
  43    0.918673E-05    0.221455E+03 -0.414836E-07 0.100000E-04    0.990274E+00
  44   -0.171323E-04    0.213282E+03  0.803270E-07 0.100000E-04    0.989970E+00
  45    0.166314E-05    0.211958E+03 -0.784657E-08 0.100000E-04    0.979625E+00
  46    0.174390E-04    0.207852E+03 -0.839012E-07 0.100000E-04    0.993656E+00
  47   -0.276405E-04    0.203411E+03  0.135885E-06 0.100000E-04    0.996456E+00
  48    0.275388E-05    0.197862E+03 -0.139182E-07 0.100000E-04    0.993192E+00
  49   -0.193497E-04    0.195447E+03  0.990022E-07 0.100000E-04    0.994407E+00
  50   -0.896857E-05    0.191587E+03  0.468120E-07 0.100000E-04    0.994193E+00
  51   -0.126980E-04    0.184918E+03  0.686681E-07 0.100000E-04    0.995758E+00
  52   -0.147718E-05    0.175832E+03  0.840110E-08 0.100000E-04    0.981005E+00
  53    0.103644E-04    0.171472E+03 -0.604439E-07 0.100000E-04    0.998801E+00
  54   -0.118697E-04    0.167609E+03  0.708177E-07 0.100000E-04    0.993416E+00
  55   -0.186646E-04    0.165392E+03  0.112851E-06 0.100000E-04    0.997729E+00
  56   -0.596958E-05    0.159606E+03  0.374021E-07 0.100000E-04    0.993295E+00
  57    0.649628E-05    0.153674E+03 -0.422732E-07 0.100000E-04    0.998738E+00
  58   -0.199360E-04    0.151048E+03  0.131985E-06 0.100000E-04    0.996440E+00
  59    0.289204E-05    0.149054E+03 -0.194027E-07 0.100000E-04    0.974017E+00
  60    0.184536E-04    0.143115E+03 -0.128942E-06 0.100000E-04    0.997947E+00
  61   -0.189885E-04    0.136999E+03  0.138603E-06 0.100000E-04    0.996703E+00
  62   -0.308507E-04    0.135569E+03  0.227564E-06 0.100000E-04    0.999925E+00
  63    0.218551E-04    0.130775E+03 -0.167120E-06 0.100000E-04    0.999112E+00
  64    0.164719E-04    0.127804E+03 -0.128884E-06 0.100000E-04    0.992753E+00
  65    0.411957E-05    0.126059E+03 -0.326797E-07 0.100000E-04    0.975435E+00
  66    0.253151E-04    0.125515E+03 -0.201690E-06 0.100000E-04    0.999724E+00
  67   -0.420783E-05    0.119622E+03  0.351760E-07 0.100000E-04    0.978527E+00
  68   -0.819535E-05    0.118010E+03  0.694461E-07 0.100000E-04    0.999671E+00
  69    0.384551E-05    0.116903E+03 -0.328951E-07 0.100000E-04    0.998269E+00
  70    0.205009E-04    0.111424E+03 -0.183990E-06 0.100000E-04    0.992741E+00
  71   -0.394792E-05    0.108485E+03  0.363914E-07 0.100000E-04    0.986070E+00
  72    0.439542E-04    0.104956E+03 -0.418787E-06 0.100000E-04    0.995489E+00
  73   -0.220658E-04    0.103022E+03  0.214186E-06 0.100000E-04    0.996482E+00
  74    0.297762E-04    0.998920E+02 -0.298084E-06 0.100000E-04    0.999025E+00
  75    0.497231E-04    0.963805E+02 -0.515904E-06 0.100000E-04    0.993304E+00
  76    0.270328E-04    0.950977E+02 -0.284263E-06 0.100000E-04    0.995636E+00
  77    0.612885E-04    0.921308E+02 -0.665234E-06 0.100000E-04    0.999489E+00
  78   -0.180078E-06    0.904107E+02  0.199178E-08 0.100000E-04    0.344690E+00
  79    0.179618E-04    0.897750E+02 -0.200075E-06 0.100000E-04    0.990062E+00
  80   -0.188953E-04    0.848108E+02  0.222793E-06 0.100000E-04    0.998545E+00
  81    0.184932E-04    0.809150E+02 -0.228551E-06 0.100000E-04    0.996164E+00
  82    0.649459E-05    0.796485E+02 -0.815406E-07 0.100000E-04    0.975235E+00
  83    0.140672E-04    0.783783E+02 -0.179478E-06 0.100000E-04    0.998456E+00
  84    0.306445E-04    0.727284E+02 -0.421355E-06 0.100000E-04    0.997343E+00
  85   -0.405344E-04    0.719274E+02  0.563546E-06 0.100000E-04    0.999175E+00
  86   -0.125014E-04    0.683017E+02  0.183032E-06 0.100000E-04    0.975402E+00
  87    0.381264E-04    0.673488E+02 -0.566104E-06 0.100000E-04    0.998445E+00
  88   -0.119660E-05    0.633454E+02  0.188900E-07 0.100000E-04    0.876191E+00
  89   -0.482624E-04    0.607510E+02  0.794430E-06 0.100000E-04    0.999450E+00
  90   -0.240028E-04    0.596788E+02  0.402200E-06 0.100000E-04    0.999616E+00
  91    0.110139E-06    0.590017E+02 -0.186671E-08 0.100000E-04    0.797064E+00
  92   -0.565901E-04    0.559836E+02  0.101083E-05 0.100000E-04    0.998682E+00
  93    0.364658E-04    0.530260E+02 -0.687696E-06 0.100000E-04    0.996942E+00
  94    0.387292E-04    0.522394E+02 -0.741379E-06 0.100000E-04    0.996737E+00
  95    0.301577E-04    0.501619E+02 -0.601208E-06 0.100000E-04    0.996887E+00
  96    0.106734E-04    0.477707E+02 -0.223429E-06 0.100000E-04    0.997237E+00
  97    0.366243E-04    0.429933E+02 -0.851860E-06 0.100000E-04    0.997255E+00
  98   -0.325169E-04    0.402320E+02  0.808234E-06 0.100000E-04    0.997238E+00
  99   -0.104973E-03    0.371589E+02  0.282498E-05 0.100000E-04    0.998824E+00
 100    0.113224E-03    0.359058E+02 -0.315336E-05 0.100000E-04    0.996286E+00
 101    0.608069E-05    0.353398E+02 -0.172064E-06 0.100000E-04    0.978186E+00
 102    0.888403E-04    0.288492E+02 -0.307947E-05 0.100000E-04    0.998207E+00
 103    0.110503E-04    0.287188E+02 -0.384776E-06 0.100000E-04    0.949282E+00
 104   -0.632419E-04    0.280164E+02  0.225731E-05 0.100000E-04    0.992567E+00
 105   -0.472455E-04    0.229183E+02  0.206147E-05 0.100000E-04    0.998839E+00
 106    0.663575E-05    0.217320E+02 -0.305345E-06 0.100000E-04    0.965294E+00
 107   -0.122067E-03    0.200970E+02  0.607390E-05 0.100000E-04    0.993649E+00
 108   -0.278842E-04    0.168249E+02  0.165732E-05 0.100000E-04    0.998587E+00
 109   -0.782576E-04    0.137719E+02  0.568241E-05 0.100000E-04    0.994174E+00
 110    0.250950E-02    0.122784E+02 -0.100000E-04 0.100000E-04    0.601331E+00
 111    0.482939E-02    0.984802E+01 -0.100000E-04 0.100000E-04    0.963766E+00
 112    0.199956E-02    0.944009E+01 -0.101354E-04 0.101354E-04    0.229771E+00
 113   -0.160099E-01    0.744348E+01  0.120056E-04 0.120056E-04    0.218371E+00
 114   -0.544472E+00    0.450498E+01 -0.400000E-03 0.400000E-03    0.383599E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1191444714    

 Beginning of optimization cycle  268.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3713282538
 potential> RMS force:                                               0.0511876149   |gradient|=.5465341704    
 Eigenvalues of the Hessian matrix:
   729.62423    672.98869    626.19675    604.47339    588.84382    568.86273 
   566.40161    481.43818    466.46436    461.75000    441.33919    430.15630 
   421.53645    407.44305    397.69536    388.84276    367.51542    362.29679 
   351.29222    337.61210    325.26738    321.55047    319.73924    314.28055 
   304.56670    288.08960    279.10964    270.73491    266.35860    263.71259 
   258.83171    253.78034    242.54346    237.75532    235.66008    228.67503 
   221.43454    213.28981    211.96291    207.84155    203.41385    197.85686 
   195.44534    191.58652    184.90817    175.81892    171.47777    167.60629 
   165.38714    159.59691    153.67761    151.05109    149.04970    143.11774 
   137.00015    135.57412    130.77282    127.80716    126.05884    125.51860 
   119.62422    118.01113    116.90472    111.41765    108.47445    104.95281 
   103.02316     99.88966     96.37202     95.09620     92.14308     90.40836 
    89.77880     84.81353     80.91515     79.65133     78.37679     72.72855 
    71.93170     68.30136     67.33732     63.34420     60.74095     59.67952 
    59.00329     55.98470     53.02183     52.23998     50.16046     47.76795 
    42.99081     40.23438     37.16246     35.91096     35.32919     28.84853 
    28.71805     28.00813     22.91843     21.72758     20.10180     16.82498 
    13.77207     12.27768      9.84679      9.43241      7.44014      4.50116 
overlap for current and previous eigenvector    109 is         0.9999994570
overlap for current and previous eigenvector    110 is         0.9999993516
overlap for current and previous eigenvector    111 is        -0.9999127666
overlap for current and previous eigenvector    112 is         0.9999091368
overlap for current and previous eigenvector    113 is         0.9999956669
overlap for current and previous eigenvector    114 is         0.9999996751
J1,K1,R1,R2,RAT=   7   7   -0.1054859114E-01     2.010380172        0.9894514089    
FOB,PFOB,DIAG,PSTEP=   -0.2553792901E-05   -0.2527132964E-05     729.6242348        0.3463900553E-08
J1,K1,R1,R2,RAT=   8   8   -0.1388846142E-02     2.001356292        0.9986111539    
FOB,PFOB,DIAG,PSTEP=   -0.3522119706E-05   -0.3517234729E-05     672.9886927        0.5226376043E-08
J1,K1,R1,R2,RAT=   9   9   -0.3300779502E-01     2.032965626        0.9669922050    
FOB,PFOB,DIAG,PSTEP=    0.3800901315E-06    0.3679448280E-06     626.1967452       -0.5875990076E-09
J1,K1,R1,R2,RAT=  10  10   -0.9495016878E-02     2.009503492        0.9905049831    
FOB,PFOB,DIAG,PSTEP=    0.1772268808E-05    0.1755599433E-05     604.4733862       -0.2904332983E-08
J1,K1,R1,R2,RAT=  11  11   -0.2100449747E-01     2.021033942        0.9789955025    
FOB,PFOB,DIAG,PSTEP=   -0.1193877478E-05   -0.1169316925E-05     588.8438189        0.1985755259E-08
J1,K1,R1,R2,RAT= 109 109    0.8971284471E-02     1.991006580        0.9910065795    
FOB,PFOB,DIAG,PSTEP=   -0.7755554893E-04   -0.7825762815E-04     13.77206846        0.5682406717E-05
J1,K1,R1,R2,RAT= 110 110   -0.4116355453         41.29070133        0.5883644547    
FOB,PFOB,DIAG,PSTEP=    0.2560040490E-02    0.2509501180E-02     12.27768361       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     98.08205180        0.8632092311E-02    0.9913679077    
FOB,PFOB,DIAG,PSTEP=   -0.4828539828E-02    0.4829389812E-02     9.846785892       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9175746284         42.74886925        0.8242537161E-01
FOB,PFOB,DIAG,PSTEP=    0.2087282830E-02    0.1999561569E-02     9.432414921       -0.1013539257E-04
J1,K1,R1,R2,RAT= 113 113   -0.9284049235         359.3975390        0.7159507653E-01
FOB,PFOB,DIAG,PSTEP=   -0.1609280851E-01   -0.1600988002E-01     7.440143518        0.1200563106E-04
J1,K1,R1,R2,RAT= 114 114    0.9962351558        -605.8099377        0.3764844171E-02
FOB,PFOB,DIAG,PSTEP=   -0.5462657737       -0.5444720900         4.501155378       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002     -0.00003      0.00002      0.00002      0.00000      0.00003 
    -0.00000     -0.00001      0.00000      0.00002      0.00000      0.00004 
    -0.00002      0.00003      0.00005      0.00003     -0.00006     -0.00000 
     0.00002     -0.00002      0.00002      0.00001      0.00001      0.00003 
    -0.00004      0.00001      0.00004     -0.00000     -0.00005     -0.00002 
     0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
     0.00004     -0.00003     -0.00011      0.00011      0.00001      0.00009 
     0.00001     -0.00006     -0.00005      0.00001     -0.00012     -0.00003 
    -0.00008      0.00256     -0.00483      0.00209     -0.01609     -0.54627 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4335544791
 Log product of positive Hessian eigenvalues =          520.0315946963
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.5011553783
 Unscaled step for mode    7=        0.0000000035
 Unscaled step for mode    8=        0.0000000052
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000005
 Unscaled step for mode   13=        0.0000000055
 Unscaled step for mode   14=        0.0000000079
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000099
 Unscaled step for mode   17=       -0.0000000083
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000323
 Unscaled step for mode   20=       -0.0000000210
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000123
 Unscaled step for mode   23=        0.0000000008
 Unscaled step for mode   24=        0.0000000001
 Unscaled step for mode   25=        0.0000000476
 Unscaled step for mode   26=        0.0000000827
 Unscaled step for mode   27=        0.0000000430
 Unscaled step for mode   28=       -0.0000000223
 Unscaled step for mode   29=       -0.0000000100
 Unscaled step for mode   30=        0.0000000726
 Unscaled step for mode   31=        0.0000000316
 Unscaled step for mode   32=        0.0000000148
 Unscaled step for mode   33=       -0.0000000340
 Unscaled step for mode   34=       -0.0000000251
 Unscaled step for mode   35=       -0.0000000847
 Unscaled step for mode   36=       -0.0000000464
 Unscaled step for mode   37=        0.0000000548
 Unscaled step for mode   38=        0.0000000120
 Unscaled step for mode   39=        0.0000000696
 Unscaled step for mode   40=       -0.0000000130
 Unscaled step for mode   41=        0.0000001237
 Unscaled step for mode   42=        0.0000000361
 Unscaled step for mode   43=       -0.0000000417
 Unscaled step for mode   44=        0.0000000805
 Unscaled step for mode   45=       -0.0000000078
 Unscaled step for mode   46=       -0.0000000843
 Unscaled step for mode   47=        0.0000001360
 Unscaled step for mode   48=       -0.0000000141
 Unscaled step for mode   49=        0.0000000993
 Unscaled step for mode   50=        0.0000000473
 Unscaled step for mode   51=        0.0000000690
 Unscaled step for mode   52=        0.0000000085
 Unscaled step for mode   53=       -0.0000000608
 Unscaled step for mode   54=        0.0000000714
 Unscaled step for mode   55=        0.0000001129
 Unscaled step for mode   56=        0.0000000371
 Unscaled step for mode   57=       -0.0000000429
 Unscaled step for mode   58=        0.0000001325
 Unscaled step for mode   59=       -0.0000000191
 Unscaled step for mode   60=       -0.0000001296
 Unscaled step for mode   61=        0.0000001400
 Unscaled step for mode   62=        0.0000002278
 Unscaled step for mode   63=       -0.0000001679
 Unscaled step for mode   64=       -0.0000001302
 Unscaled step for mode   65=       -0.0000000345
 Unscaled step for mode   66=       -0.0000002020
 Unscaled step for mode   67=        0.0000000350
 Unscaled step for mode   68=        0.0000000698
 Unscaled step for mode   69=       -0.0000000334
 Unscaled step for mode   70=       -0.0000001841
 Unscaled step for mode   71=       -0.0000000363
 Unscaled step for mode   72=       -0.0000004208
 Unscaled step for mode   73=        0.0000002154
 Unscaled step for mode   74=       -0.0000002985
 Unscaled step for mode   75=       -0.0000005198
 Unscaled step for mode   76=       -0.0000002832
 Unscaled step for mode   77=        0.0000006667
 Unscaled step for mode   78=        0.0000000021
 Unscaled step for mode   79=       -0.0000001980
 Unscaled step for mode   80=        0.0000002240
 Unscaled step for mode   81=       -0.0000002289
 Unscaled step for mode   82=       -0.0000000806
 Unscaled step for mode   83=       -0.0000001802
 Unscaled step for mode   84=       -0.0000004241
 Unscaled step for mode   85=        0.0000005669
 Unscaled step for mode   86=       -0.0000001788
 Unscaled step for mode   87=       -0.0000005699
 Unscaled step for mode   88=        0.0000000179
 Unscaled step for mode   89=        0.0000007990
 Unscaled step for mode   90=        0.0000004059
 Unscaled step for mode   91=       -0.0000000011
 Unscaled step for mode   92=        0.0000010138
 Unscaled step for mode   93=       -0.0000006868
 Unscaled step for mode   94=       -0.0000007441
 Unscaled step for mode   95=       -0.0000005994
 Unscaled step for mode   96=       -0.0000002217
 Unscaled step for mode   97=       -0.0000008599
 Unscaled step for mode   98=        0.0000008143
 Unscaled step for mode   99=        0.0000028435
 Unscaled step for mode  100=       -0.0000031559
 Unscaled step for mode  101=       -0.0000001847
 Unscaled step for mode  102=       -0.0000030915
 Unscaled step for mode  103=       -0.0000003716
 Unscaled step for mode  104=        0.0000022622
 Unscaled step for mode  105=        0.0000020801
 Unscaled step for mode  106=       -0.0000003287
 Unscaled step for mode  107=        0.0000061074
 Unscaled step for mode  108=        0.0000015956
 Unscaled step for mode  109=        0.0000056314
 Unscaled step for mode  110=       -0.0002085117
 Unscaled step for mode  111=        0.0004903670
 Unscaled step for mode  112=       -0.0002212883
 Unscaled step for mode  113=        0.0021629601
 Unscaled step for mode  114=       -0.1196245513
 Largest modulus ratio of non-zero e/values=           162.0971003    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.477483E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.905526E-15    0.100727E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.287639E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.219876E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.345374E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.744847E-16    0.973794E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.255379E-05    0.729624E+03  0.350015E-08 0.100000E-04    0.989451E+00
   8   -0.352212E-05    0.672989E+03  0.523355E-08 0.100000E-04    0.998611E+00
   9    0.380090E-06    0.626197E+03 -0.606982E-09 0.100000E-04    0.966992E+00
  10    0.177227E-05    0.604473E+03 -0.293192E-08 0.100000E-04    0.990505E+00
  11   -0.119388E-05    0.588844E+03  0.202749E-08 0.100000E-04    0.978996E+00
  12    0.283217E-06    0.568863E+03 -0.497865E-09 0.100000E-04    0.997237E+00
  13   -0.309290E-05    0.566402E+03  0.546061E-08 0.100000E-04    0.994270E+00
  14   -0.379889E-05    0.481438E+03  0.789071E-08 0.100000E-04    0.995633E+00
  15    0.177274E-05    0.466464E+03 -0.380037E-08 0.100000E-04    0.995269E+00
  16    0.458756E-05    0.461750E+03 -0.993516E-08 0.100000E-04    0.992899E+00
  17    0.366340E-05    0.441339E+03 -0.830065E-08 0.100000E-04    0.985895E+00
  18    0.474712E-05    0.430156E+03 -0.110358E-07 0.100000E-04    0.990937E+00
  19   -0.136216E-04    0.421536E+03  0.323143E-07 0.100000E-04    0.995653E+00
  20    0.857641E-05    0.407443E+03 -0.210493E-07 0.100000E-04    0.996467E+00
  21    0.727320E-05    0.397695E+03 -0.182884E-07 0.100000E-04    0.996509E+00
  22   -0.476925E-05    0.388843E+03  0.122652E-07 0.100000E-04    0.996922E+00
  23   -0.293767E-06    0.367515E+03  0.799334E-09 0.100000E-04    0.892130E+00
  24   -0.350661E-07    0.362297E+03  0.967885E-10 0.100000E-04    0.759683E+00
  25   -0.167362E-04    0.351292E+03  0.476417E-07 0.100000E-04    0.995760E+00
  26   -0.279243E-04    0.337612E+03  0.827113E-07 0.100000E-04    0.996964E+00
  27   -0.139727E-04    0.325267E+03  0.429576E-07 0.100000E-04    0.995965E+00
  28    0.716903E-05    0.321550E+03 -0.222952E-07 0.100000E-04    0.981409E+00
  29    0.320864E-05    0.319739E+03 -0.100352E-07 0.100000E-04    0.981530E+00
  30   -0.228206E-04    0.314281E+03  0.726121E-07 0.100000E-04    0.999381E+00
  31   -0.963822E-05    0.304567E+03  0.316457E-07 0.100000E-04    0.994773E+00
  32   -0.426062E-05    0.288090E+03  0.147892E-07 0.100000E-04    0.998747E+00
  33    0.949939E-05    0.279110E+03 -0.340346E-07 0.100000E-04    0.996240E+00
  34    0.680748E-05    0.270735E+03 -0.251445E-07 0.100000E-04    0.992329E+00
  35    0.225725E-04    0.266359E+03 -0.847446E-07 0.100000E-04    0.999564E+00
  36    0.122409E-04    0.263713E+03 -0.464176E-07 0.100000E-04    0.995744E+00
  37   -0.141888E-04    0.258832E+03  0.548188E-07 0.100000E-04    0.994906E+00
  38   -0.305161E-05    0.253780E+03  0.120246E-07 0.100000E-04    0.996564E+00
  39   -0.168900E-04    0.242543E+03  0.696369E-07 0.100000E-04    0.997442E+00
  40    0.309559E-05    0.237755E+03 -0.130201E-07 0.100000E-04    0.935344E+00
  41   -0.291412E-04    0.235660E+03  0.123658E-06 0.100000E-04    0.995648E+00
  42   -0.826597E-05    0.228675E+03  0.361473E-07 0.100000E-04    0.998606E+00
  43    0.922903E-05    0.221435E+03 -0.416784E-07 0.100000E-04    0.995395E+00
  44   -0.171750E-04    0.213290E+03  0.805243E-07 0.100000E-04    0.997509E+00
  45    0.165134E-05    0.211963E+03 -0.779070E-08 0.100000E-04    0.992856E+00
  46    0.175182E-04    0.207842E+03 -0.842865E-07 0.100000E-04    0.995456E+00
  47   -0.276556E-04    0.203414E+03  0.135957E-06 0.100000E-04    0.999453E+00
  48    0.279613E-05    0.197857E+03 -0.141321E-07 0.100000E-04    0.984657E+00
  49   -0.194048E-04    0.195445E+03  0.992848E-07 0.100000E-04    0.997156E+00
  50   -0.906197E-05    0.191587E+03  0.472996E-07 0.100000E-04    0.989586E+00
  51   -0.127532E-04    0.184908E+03  0.689702E-07 0.100000E-04    0.995655E+00
  52   -0.149797E-05    0.175819E+03  0.851996E-08 0.100000E-04    0.985925E+00
  53    0.104327E-04    0.171478E+03 -0.608397E-07 0.100000E-04    0.993416E+00
  54   -0.119590E-04    0.167606E+03  0.713517E-07 0.100000E-04    0.992473E+00
  55   -0.186792E-04    0.165387E+03  0.112943E-06 0.100000E-04    0.999215E+00
  56   -0.592207E-05    0.159597E+03  0.371064E-07 0.100000E-04    0.992041E+00
  57    0.659952E-05    0.153678E+03 -0.429439E-07 0.100000E-04    0.984109E+00
  58   -0.200152E-04    0.151051E+03  0.132506E-06 0.100000E-04    0.996030E+00
  59    0.284296E-05    0.149050E+03 -0.190739E-07 0.100000E-04    0.983028E+00
  60    0.185490E-04    0.143118E+03 -0.129606E-06 0.100000E-04    0.994829E+00
  61   -0.191743E-04    0.137000E+03  0.139958E-06 0.100000E-04    0.990213E+00
  62   -0.308842E-04    0.135574E+03  0.227803E-06 0.100000E-04    0.998914E+00
  63    0.219566E-04    0.130773E+03 -0.167899E-06 0.100000E-04    0.995354E+00
  64    0.166372E-04    0.127807E+03 -0.130174E-06 0.100000E-04    0.989964E+00
  65    0.434314E-05    0.126059E+03 -0.344533E-07 0.100000E-04    0.945730E+00
  66    0.253505E-04    0.125519E+03 -0.201966E-06 0.100000E-04    0.998603E+00
  67   -0.418461E-05    0.119624E+03  0.349813E-07 0.100000E-04    0.994450E+00
  68   -0.823429E-05    0.118011E+03  0.697755E-07 0.100000E-04    0.995249E+00
  69    0.390172E-05    0.116905E+03 -0.333752E-07 0.100000E-04    0.985385E+00
  70    0.205123E-04    0.111418E+03 -0.184102E-06 0.100000E-04    0.999447E+00
  71    0.394032E-05    0.108474E+03 -0.363249E-07 0.100000E-04    0.998075E+00
  72    0.441668E-04    0.104953E+03 -0.420826E-06 0.100000E-04    0.995162E+00
  73   -0.221882E-04    0.103023E+03  0.215371E-06 0.100000E-04    0.994454E+00
  74    0.298141E-04    0.998897E+02 -0.298471E-06 0.100000E-04    0.998725E+00
  75    0.500959E-04    0.963720E+02 -0.519818E-06 0.100000E-04    0.992503E+00
  76    0.269344E-04    0.950962E+02 -0.283233E-06 0.100000E-04    0.996362E+00
  77   -0.614358E-04    0.921431E+02  0.666743E-06 0.100000E-04    0.997598E+00
  78   -0.192848E-06    0.904084E+02  0.213308E-08 0.100000E-04    0.929084E+00
  79    0.177778E-04    0.897788E+02 -0.198018E-06 0.100000E-04    0.989674E+00
  80   -0.189963E-04    0.848135E+02  0.223977E-06 0.100000E-04    0.994652E+00
  81    0.185246E-04    0.809151E+02 -0.228939E-06 0.100000E-04    0.998299E+00
  82    0.642184E-05    0.796513E+02 -0.806244E-07 0.100000E-04    0.988729E+00
  83    0.141262E-04    0.783768E+02 -0.180234E-06 0.100000E-04    0.995807E+00
  84    0.308441E-04    0.727285E+02 -0.424098E-06 0.100000E-04    0.993488E+00
  85   -0.407769E-04    0.719317E+02  0.566884E-06 0.100000E-04    0.994017E+00
  86    0.122109E-04    0.683014E+02 -0.178779E-06 0.100000E-04    0.976757E+00
  87    0.383742E-04    0.673373E+02 -0.569880E-06 0.100000E-04    0.993500E+00
  88   -0.113521E-05    0.633442E+02  0.179213E-07 0.100000E-04    0.948700E+00
  89   -0.485295E-04    0.607409E+02  0.798958E-06 0.100000E-04    0.994465E+00
  90   -0.242235E-04    0.596795E+02  0.405893E-06 0.100000E-04    0.990806E+00
  91    0.646640E-07    0.590033E+02 -0.109594E-08 0.100000E-04    0.587068E+00
  92   -0.567547E-04    0.559847E+02  0.101375E-05 0.100000E-04    0.997091E+00
  93    0.364180E-04    0.530218E+02 -0.686850E-06 0.100000E-04    0.998691E+00
  94    0.388741E-04    0.522400E+02 -0.744145E-06 0.100000E-04    0.996258E+00
  95    0.300661E-04    0.501605E+02 -0.599399E-06 0.100000E-04    0.996962E+00
  96    0.105892E-04    0.477679E+02 -0.221679E-06 0.100000E-04    0.992111E+00
  97    0.369698E-04    0.429908E+02 -0.859947E-06 0.100000E-04    0.990565E+00
  98   -0.327616E-04    0.402344E+02  0.814270E-06 0.100000E-04    0.992472E+00
  99   -0.105670E-03    0.371625E+02  0.284345E-05 0.100000E-04    0.993365E+00
 100    0.113332E-03    0.359110E+02 -0.315591E-05 0.100000E-04    0.999050E+00
 101    0.652690E-05    0.353292E+02 -0.184745E-06 0.100000E-04    0.926596E+00
 102    0.891844E-04    0.288485E+02 -0.309147E-05 0.100000E-04    0.996126E+00
 103    0.106715E-04    0.287181E+02 -0.371595E-06 0.100000E-04    0.965715E+00
 104   -0.633612E-04    0.280081E+02  0.226224E-05 0.100000E-04    0.998112E+00
 105   -0.476725E-04    0.229184E+02  0.208010E-05 0.100000E-04    0.990961E+00
 106    0.714243E-05    0.217276E+02 -0.328726E-06 0.100000E-04    0.923628E+00
 107   -0.122770E-03    0.201018E+02  0.610742E-05 0.100000E-04    0.994243E+00
 108   -0.268459E-04    0.168250E+02  0.159560E-05 0.100000E-04    0.962754E+00
 109   -0.775555E-04    0.137721E+02  0.563137E-05 0.100000E-04    0.991007E+00
 110    0.256004E-02    0.122777E+02 -0.100000E-04 0.100000E-04    0.588364E+00
 111   -0.482854E-02    0.984679E+01  0.100000E-04 0.100000E-04    0.991368E+00
 112    0.208728E-02    0.943241E+01 -0.110476E-04 0.110476E-04    0.824254E-01
 113   -0.160928E-01    0.744014E+01  0.130861E-04 0.130861E-04    0.715951E-01
 114   -0.546266E+00    0.450116E+01 -0.400000E-03 0.400000E-03    0.376484E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1196245513    

 Beginning of optimization cycle  269.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3711096942
 potential> RMS force:                                               0.0513556359   |gradient|=.5483281431    
 Eigenvalues of the Hessian matrix:
   729.68566    672.99955    626.20998    604.47070    588.83510    568.90435 
   566.41275    481.46155    466.44107    461.74203    441.33961    430.14815 
   421.54187    407.45219    397.69055    388.84325    367.52089    362.28751 
   351.28459    337.58451    325.27658    321.54895    319.75055    314.25232 
   304.55839    288.09670    279.10418    270.73321    266.36641    263.72196 
   258.84229    253.78288    242.53838    237.75738    235.65593    228.67350 
   221.41430    213.29731    211.96788    207.83163    203.41672    197.85209 
   195.44322    191.58597    184.89789    175.80621    171.48394    167.60407 
   165.38272    159.58823    153.68152    151.05441    149.04550    143.12034 
   137.00128    135.57887    130.77109    127.81037    126.05867    125.52181 
   119.62610    118.01204    116.90691    111.41098    108.46409    104.94955 
   103.02460     99.88734     96.36347     95.09468     92.15539     90.40617 
    89.78249     84.81628     80.91529     79.65412     78.37528     72.72870 
    71.93594     68.30098     67.32579     63.34296     60.73090     59.68030 
    59.00492     55.98584     53.01767     52.24054     50.15902     47.76514 
    42.98833     40.23677     37.16611     35.91606     35.31854     28.84786 
    28.71727     27.99984     22.91859     21.72312     20.10662     16.82504 
    13.77223     12.27697      9.84571      9.42471      7.43675      4.49731 
overlap for current and previous eigenvector    109 is         0.9999994649
overlap for current and previous eigenvector    110 is         0.9999993556
overlap for current and previous eigenvector    111 is         0.9999195653
overlap for current and previous eigenvector    112 is         0.9999158584
overlap for current and previous eigenvector    113 is        -0.9999956300
overlap for current and previous eigenvector    114 is         0.9999996722
J1,K1,R1,R2,RAT=   7   7   -0.9303955419E-02     2.009135608        0.9906960446    
FOB,PFOB,DIAG,PSTEP=   -0.2577555277E-05   -0.2553792901E-05     729.6856552        0.3500148131E-08
J1,K1,R1,R2,RAT=   8   8   -0.8795700084E-02     2.008763436        0.9912042999    
FOB,PFOB,DIAG,PSTEP=   -0.3553099714E-05   -0.3522119706E-05     672.9995495        0.5233549604E-08
J1,K1,R1,R2,RAT=   9   9    0.5575972055E-01     1.944198009        0.9441980087    
FOB,PFOB,DIAG,PSTEP=    0.3588959640E-06    0.3800901315E-06     626.2099804       -0.6069819660E-09
J1,K1,R1,R2,RAT=  10  10    0.4550633692E-02     1.995458250        0.9954493663    
FOB,PFOB,DIAG,PSTEP=    0.1764203898E-05    0.1772268808E-05     604.4707012       -0.2931921981E-08
J1,K1,R1,R2,RAT=  11  11    0.1086216463E-01     1.989167465        0.9891378354    
FOB,PFOB,DIAG,PSTEP=   -0.1180909576E-05   -0.1193877478E-05     588.8350954        0.2027494285E-08
J1,K1,R1,R2,RAT= 109 109   -0.5736967186E-02     2.005713677        0.9942630328    
FOB,PFOB,DIAG,PSTEP=   -0.7800048775E-04   -0.7755554893E-04     13.77222884        0.5631365337E-05
J1,K1,R1,R2,RAT= 110 110   -0.4076955791         42.11246803        0.5923044209    
FOB,PFOB,DIAG,PSTEP=    0.2610093140E-02    0.2560040490E-02     12.27696659       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3968035896E-02     98.08014972        0.9960319641    
FOB,PFOB,DIAG,PSTEP=   -0.4828149147E-02   -0.4828539828E-02     9.845711902        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7869822943         40.88069015        0.2130177057    
FOB,PFOB,DIAG,PSTEP=    0.2169223600E-02    0.2087282830E-02     9.424710142       -0.1104757790E-04
J1,K1,R1,R2,RAT= 113 113     331.5329059       -0.8080036728        0.1919963272    
FOB,PFOB,DIAG,PSTEP=    0.1617144213E-01   -0.1609280851E-01     7.436754609        0.1308613786E-04
J1,K1,R1,R2,RAT= 114 114    0.9961432522        -608.3212121        0.3856747808E-02
FOB,PFOB,DIAG,PSTEP=   -0.5480577596       -0.5462657737         4.497309610       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002     -0.00000      0.00002 
    -0.00002     -0.00003      0.00002      0.00002     -0.00000     -0.00003 
    -0.00000     -0.00001      0.00000      0.00002      0.00000      0.00004 
    -0.00002     -0.00003     -0.00005      0.00003      0.00006     -0.00000 
     0.00002     -0.00002      0.00002      0.00001      0.00001     -0.00003 
    -0.00004     -0.00001     -0.00004     -0.00000     -0.00005     -0.00002 
    -0.00000      0.00006     -0.00004      0.00004      0.00003      0.00001 
    -0.00004     -0.00003     -0.00011      0.00011      0.00001     -0.00009 
     0.00001      0.00006     -0.00005      0.00001      0.00012     -0.00003 
    -0.00008      0.00261     -0.00483      0.00217      0.01617     -0.54806 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4334518773
 Log product of positive Hessian eigenvalues =          520.0284118434
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4973096102
 Unscaled step for mode    7=        0.0000000035
 Unscaled step for mode    8=        0.0000000053
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000004
 Unscaled step for mode   13=        0.0000000055
 Unscaled step for mode   14=        0.0000000078
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000100
 Unscaled step for mode   17=       -0.0000000083
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000324
 Unscaled step for mode   20=       -0.0000000209
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000124
 Unscaled step for mode   23=        0.0000000007
 Unscaled step for mode   24=        0.0000000002
 Unscaled step for mode   25=        0.0000000478
 Unscaled step for mode   26=        0.0000000830
 Unscaled step for mode   27=        0.0000000431
 Unscaled step for mode   28=       -0.0000000226
 Unscaled step for mode   29=       -0.0000000102
 Unscaled step for mode   30=        0.0000000729
 Unscaled step for mode   31=        0.0000000319
 Unscaled step for mode   32=        0.0000000150
 Unscaled step for mode   33=       -0.0000000342
 Unscaled step for mode   34=       -0.0000000253
 Unscaled step for mode   35=       -0.0000000850
 Unscaled step for mode   36=       -0.0000000468
 Unscaled step for mode   37=        0.0000000550
 Unscaled step for mode   38=        0.0000000119
 Unscaled step for mode   39=        0.0000000698
 Unscaled step for mode   40=       -0.0000000120
 Unscaled step for mode   41=        0.0000001247
 Unscaled step for mode   42=        0.0000000366
 Unscaled step for mode   43=       -0.0000000421
 Unscaled step for mode   44=        0.0000000813
 Unscaled step for mode   45=       -0.0000000076
 Unscaled step for mode   46=       -0.0000000848
 Unscaled step for mode   47=        0.0000001364
 Unscaled step for mode   48=       -0.0000000142
 Unscaled step for mode   49=        0.0000000998
 Unscaled step for mode   50=        0.0000000470
 Unscaled step for mode   51=        0.0000000693
 Unscaled step for mode   52=        0.0000000087
 Unscaled step for mode   53=       -0.0000000609
 Unscaled step for mode   54=        0.0000000718
 Unscaled step for mode   55=        0.0000001132
 Unscaled step for mode   56=        0.0000000374
 Unscaled step for mode   57=       -0.0000000430
 Unscaled step for mode   58=        0.0000001330
 Unscaled step for mode   59=        0.0000000186
 Unscaled step for mode   60=       -0.0000001299
 Unscaled step for mode   61=        0.0000001404
 Unscaled step for mode   62=        0.0000002278
 Unscaled step for mode   63=       -0.0000001678
 Unscaled step for mode   64=       -0.0000001311
 Unscaled step for mode   65=        0.0000000353
 Unscaled step for mode   66=        0.0000002020
 Unscaled step for mode   67=        0.0000000357
 Unscaled step for mode   68=        0.0000000698
 Unscaled step for mode   69=       -0.0000000334
 Unscaled step for mode   70=       -0.0000001854
 Unscaled step for mode   71=       -0.0000000368
 Unscaled step for mode   72=       -0.0000004227
 Unscaled step for mode   73=        0.0000002161
 Unscaled step for mode   74=        0.0000002982
 Unscaled step for mode   75=        0.0000005233
 Unscaled step for mode   76=       -0.0000002819
 Unscaled step for mode   77=       -0.0000006664
 Unscaled step for mode   78=        0.0000000029
 Unscaled step for mode   79=       -0.0000001960
 Unscaled step for mode   80=        0.0000002243
 Unscaled step for mode   81=       -0.0000002298
 Unscaled step for mode   82=       -0.0000000786
 Unscaled step for mode   83=       -0.0000001805
 Unscaled step for mode   84=        0.0000004252
 Unscaled step for mode   85=        0.0000005665
 Unscaled step for mode   86=        0.0000001743
 Unscaled step for mode   87=        0.0000005707
 Unscaled step for mode   88=        0.0000000200
 Unscaled step for mode   89=        0.0000007995
 Unscaled step for mode   90=        0.0000004061
 Unscaled step for mode   91=        0.0000000006
 Unscaled step for mode   92=       -0.0000010150
 Unscaled step for mode   93=        0.0000006848
 Unscaled step for mode   94=       -0.0000007466
 Unscaled step for mode   95=       -0.0000005975
 Unscaled step for mode   96=       -0.0000002223
 Unscaled step for mode   97=        0.0000008577
 Unscaled step for mode   98=        0.0000008165
 Unscaled step for mode   99=        0.0000028465
 Unscaled step for mode  100=       -0.0000031446
 Unscaled step for mode  101=       -0.0000001884
 Unscaled step for mode  102=        0.0000030969
 Unscaled step for mode  103=       -0.0000003509
 Unscaled step for mode  104=       -0.0000022797
 Unscaled step for mode  105=        0.0000020778
 Unscaled step for mode  106=       -0.0000003181
 Unscaled step for mode  107=       -0.0000060703
 Unscaled step for mode  108=        0.0000015978
 Unscaled step for mode  109=        0.0000056636
 Unscaled step for mode  110=       -0.0002126008
 Unscaled step for mode  111=        0.0004903808
 Unscaled step for mode  112=       -0.0002301634
 Unscaled step for mode  113=       -0.0021745192
 Unscaled step for mode  114=       -0.1201055487
 Largest modulus ratio of non-zero e/values=           162.2493710    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.357136E-15    0.101893E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.650521E-15    0.100727E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.815754E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.452763E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.103897E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.504669E-15    0.973796E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.257756E-05    0.729686E+03  0.353242E-08 0.100000E-04    0.990696E+00
   8   -0.355310E-05    0.673000E+03  0.527950E-08 0.100000E-04    0.991204E+00
   9    0.358896E-06    0.626210E+03 -0.573124E-09 0.100000E-04    0.944198E+00
  10    0.176420E-05    0.604471E+03 -0.291859E-08 0.100000E-04    0.995449E+00
  11   -0.118091E-05    0.588835E+03  0.200550E-08 0.100000E-04    0.989138E+00
  12    0.213374E-06    0.568904E+03 -0.375061E-09 0.100000E-04    0.753267E+00
  13   -0.309989E-05    0.566413E+03  0.547285E-08 0.100000E-04    0.997738E+00
  14   -0.375693E-05    0.481462E+03  0.780318E-08 0.100000E-04    0.988858E+00
  15    0.176580E-05    0.466441E+03 -0.378570E-08 0.100000E-04    0.996090E+00
  16    0.460469E-05    0.461742E+03 -0.997242E-08 0.100000E-04    0.996267E+00
  17    0.365116E-05    0.441340E+03 -0.827290E-08 0.100000E-04    0.996656E+00
  18    0.472666E-05    0.430148E+03 -0.109885E-07 0.100000E-04    0.995691E+00
  19   -0.136513E-04    0.421542E+03  0.323843E-07 0.100000E-04    0.997820E+00
  20    0.853518E-05    0.407452E+03 -0.209477E-07 0.100000E-04    0.995148E+00
  21    0.725927E-05    0.397691E+03 -0.182536E-07 0.100000E-04    0.998085E+00
  22   -0.482672E-05    0.388843E+03  0.124130E-07 0.100000E-04    0.987951E+00
  23   -0.249347E-06    0.367521E+03  0.678457E-09 0.100000E-04    0.848764E+00
  24   -0.822117E-07    0.362288E+03  0.226924E-09 0.100000E-04    0.344509E+00
  25   -0.167739E-04    0.351285E+03  0.477500E-07 0.100000E-04    0.997747E+00
  26   -0.280114E-04    0.337585E+03  0.829760E-07 0.100000E-04    0.996881E+00
  27   -0.140139E-04    0.325277E+03  0.430829E-07 0.100000E-04    0.997054E+00
  28    0.727407E-05    0.321549E+03 -0.226220E-07 0.100000E-04    0.985348E+00
  29    0.327300E-05    0.319751E+03 -0.102361E-07 0.100000E-04    0.979941E+00
  30   -0.228968E-04    0.314252E+03  0.728612E-07 0.100000E-04    0.996659E+00
  31   -0.972425E-05    0.304558E+03  0.319290E-07 0.100000E-04    0.991074E+00
  32   -0.431468E-05    0.288097E+03  0.149765E-07 0.100000E-04    0.987313E+00
  33    0.953381E-05    0.279104E+03 -0.341586E-07 0.100000E-04    0.996377E+00
  34    0.685423E-05    0.270733E+03 -0.253173E-07 0.100000E-04    0.993132E+00
  35    0.226357E-04    0.266366E+03 -0.849795E-07 0.100000E-04    0.997199E+00
  36    0.123550E-04    0.263722E+03 -0.468486E-07 0.100000E-04    0.990678E+00
  37   -0.142447E-04    0.258842E+03  0.550322E-07 0.100000E-04    0.996066E+00
  38   -0.302235E-05    0.253783E+03  0.119092E-07 0.100000E-04    0.990391E+00
  39   -0.169226E-04    0.242538E+03  0.697728E-07 0.100000E-04    0.998069E+00
  40    0.285948E-05    0.237757E+03 -0.120269E-07 0.100000E-04    0.923710E+00
  41   -0.293810E-04    0.235656E+03  0.124677E-06 0.100000E-04    0.991770E+00
  42   -0.835932E-05    0.228673E+03  0.365557E-07 0.100000E-04    0.988707E+00
  43    0.931756E-05    0.221414E+03 -0.420820E-07 0.100000E-04    0.990406E+00
  44   -0.173450E-04    0.213297E+03  0.813183E-07 0.100000E-04    0.990105E+00
  45    0.161732E-05    0.211968E+03 -0.763004E-08 0.100000E-04    0.979354E+00
  46    0.176286E-04    0.207832E+03 -0.848217E-07 0.100000E-04    0.993698E+00
  47   -0.277514E-04    0.203417E+03  0.136426E-06 0.100000E-04    0.996534E+00
  48    0.281478E-05    0.197852E+03 -0.142267E-07 0.100000E-04    0.993330E+00
  49   -0.195120E-04    0.195443E+03  0.998348E-07 0.100000E-04    0.994471E+00
  50   -0.901019E-05    0.191586E+03  0.470295E-07 0.100000E-04    0.994286E+00
  51   -0.128064E-04    0.184898E+03  0.692621E-07 0.100000E-04    0.995824E+00
  52   -0.152578E-05    0.175806E+03  0.867875E-08 0.100000E-04    0.981435E+00
  53    0.104453E-04    0.171484E+03 -0.609113E-07 0.100000E-04    0.998786E+00
  54   -0.120368E-04    0.167604E+03  0.718171E-07 0.100000E-04    0.993490E+00
  55   -0.187209E-04    0.165383E+03  0.113197E-06 0.100000E-04    0.997772E+00
  56   -0.596151E-05    0.159588E+03  0.373555E-07 0.100000E-04    0.993341E+00
  57    0.660852E-05    0.153682E+03 -0.430014E-07 0.100000E-04    0.998636E+00
  58   -0.200854E-04    0.151054E+03  0.132968E-06 0.100000E-04    0.996490E+00
  59   -0.276540E-05    0.149045E+03  0.185540E-07 0.100000E-04    0.972718E+00
  60    0.185868E-04    0.143120E+03 -0.129868E-06 0.100000E-04    0.997962E+00
  61   -0.192383E-04    0.137001E+03  0.140424E-06 0.100000E-04    0.996666E+00
  62   -0.308825E-04    0.135579E+03  0.227783E-06 0.100000E-04    0.999877E+00
  63    0.219372E-04    0.130771E+03 -0.167752E-06 0.100000E-04    0.999114E+00
  64    0.167569E-04    0.127810E+03 -0.131107E-06 0.100000E-04    0.992806E+00
  65   -0.444878E-05    0.126059E+03  0.352913E-07 0.100000E-04    0.975677E+00
  66   -0.253542E-04    0.125522E+03  0.201990E-06 0.100000E-04    0.999854E+00
  67   -0.427315E-05    0.119626E+03  0.357209E-07 0.100000E-04    0.978840E+00
  68   -0.823655E-05    0.118012E+03  0.697942E-07 0.100000E-04    0.999725E+00
  69    0.390871E-05    0.116907E+03 -0.334344E-07 0.100000E-04    0.998208E+00
  70    0.206586E-04    0.111411E+03 -0.185427E-06 0.100000E-04    0.992867E+00
  71    0.399432E-05    0.108464E+03 -0.368262E-07 0.100000E-04    0.986294E+00
  72    0.443657E-04    0.104950E+03 -0.422734E-06 0.100000E-04    0.995497E+00
  73   -0.222651E-04    0.103025E+03  0.216114E-06 0.100000E-04    0.996533E+00
  74   -0.297843E-04    0.998873E+02  0.298179E-06 0.100000E-04    0.999001E+00
  75   -0.504300E-04    0.963635E+02  0.523331E-06 0.100000E-04    0.993329E+00
  76    0.268046E-04    0.950947E+02 -0.281872E-06 0.100000E-04    0.995180E+00
  77    0.614156E-04    0.921554E+02 -0.666435E-06 0.100000E-04    0.999405E+00
  78   -0.263044E-06    0.904062E+02  0.290958E-08 0.100000E-04    0.635996E+00
  79    0.176012E-04    0.897825E+02 -0.196042E-06 0.100000E-04    0.989983E+00
  80   -0.190233E-04    0.848163E+02  0.224288E-06 0.100000E-04    0.998581E+00
  81    0.185951E-04    0.809153E+02 -0.229810E-06 0.100000E-04    0.996194E+00
  82    0.625697E-05    0.796541E+02 -0.785518E-07 0.100000E-04    0.974258E+00
  83    0.141467E-04    0.783753E+02 -0.180500E-06 0.100000E-04    0.998547E+00
  84   -0.309264E-04    0.727287E+02  0.425230E-06 0.100000E-04    0.997329E+00
  85   -0.407486E-04    0.719359E+02  0.566456E-06 0.100000E-04    0.999187E+00
  86   -0.119023E-04    0.683010E+02  0.174263E-06 0.100000E-04    0.974734E+00
  87   -0.384260E-04    0.673258E+02  0.570747E-06 0.100000E-04    0.998649E+00
  88   -0.126684E-05    0.633430E+02  0.199997E-07 0.100000E-04    0.884049E+00
  89   -0.485554E-04    0.607309E+02  0.799517E-06 0.100000E-04    0.999466E+00
  90   -0.242366E-04    0.596803E+02  0.406107E-06 0.100000E-04    0.999460E+00
  91   -0.346577E-07    0.590049E+02  0.587369E-09 0.100000E-04    0.535923E+00
  92    0.568272E-04    0.559858E+02 -0.101503E-05 0.100000E-04    0.998723E+00
  93   -0.363039E-04    0.530177E+02  0.684750E-06 0.100000E-04    0.996865E+00
  94    0.390004E-04    0.522405E+02 -0.746555E-06 0.100000E-04    0.996750E+00
  95    0.299712E-04    0.501590E+02 -0.597524E-06 0.100000E-04    0.996844E+00
  96    0.106166E-04    0.477651E+02 -0.222267E-06 0.100000E-04    0.997406E+00
  97   -0.368714E-04    0.429883E+02  0.857708E-06 0.100000E-04    0.997338E+00
  98   -0.328521E-04    0.402368E+02  0.816470E-06 0.100000E-04    0.997238E+00
  99   -0.105792E-03    0.371661E+02  0.284647E-05 0.100000E-04    0.998841E+00
 100    0.112940E-03    0.359161E+02 -0.314457E-05 0.100000E-04    0.996265E+00
 101    0.665472E-05    0.353185E+02 -0.188420E-06 0.100000E-04    0.980411E+00
 102   -0.893386E-04    0.288479E+02  0.309689E-05 0.100000E-04    0.998271E+00
 103    0.100773E-04    0.287173E+02 -0.350913E-06 0.100000E-04    0.944318E+00
 104    0.638321E-04    0.279998E+02 -0.227973E-05 0.100000E-04    0.992567E+00
 105   -0.476192E-04    0.229186E+02  0.207775E-05 0.100000E-04    0.998867E+00
 106    0.690951E-05    0.217231E+02 -0.318072E-06 0.100000E-04    0.967382E+00
 107    0.122052E-03    0.201066E+02 -0.607026E-05 0.100000E-04    0.993676E+00
 108   -0.268835E-04    0.168250E+02  0.159783E-05 0.100000E-04    0.998599E+00
 109   -0.780005E-04    0.137722E+02  0.566361E-05 0.100000E-04    0.994263E+00
 110    0.261009E-02    0.122770E+02 -0.100000E-04 0.100000E-04    0.592304E+00
 111   -0.482815E-02    0.984571E+01  0.100000E-04 0.100000E-04    0.996032E+00
 112    0.216922E-02    0.942471E+01 -0.100000E-04 0.100000E-04    0.213018E+00
 113    0.161714E-01    0.743675E+01 -0.142639E-04 0.142639E-04    0.191996E+00
 114   -0.548058E+00    0.449731E+01 -0.400000E-03 0.400000E-03    0.385675E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1201055487    

 Beginning of optimization cycle  270.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3708904373
 potential> RMS force:                                               0.0515234895   |gradient|=.5501203296    
 Eigenvalues of the Hessian matrix:
   729.74712    673.01020    626.22310    604.46816    588.82620    568.94619 
   566.42379    481.48491    466.41778    461.73412    441.34002    430.14008 
   421.54738    407.46139    397.68575    388.84379    367.52640    362.27823 
   351.27710    337.55712    325.28585    321.54746    319.76178    314.22411 
   304.55006    288.10389    279.09873    270.73162    266.37429    263.73134 
   258.85310    253.78546    242.53343    237.75978    235.65152    228.67198 
   221.39404    213.30488    211.97287    207.82179    203.41962    197.84732 
   195.44109    191.58536    184.88763    175.79352    171.49008    167.60193 
   165.37827    159.57947    153.68550    151.05778    149.04116    143.12289 
   137.00244    135.58362    130.76934    127.81365    126.05850    125.52496 
   119.62795    118.01294    116.90905    111.40433    108.45370    104.94627 
   103.02602     99.88503     96.35490     95.09310     92.16776     90.40414 
    89.78599     84.81902     80.91543     79.65692     78.37377     72.72886 
    71.94017     68.30054     67.31420     63.34168     60.72081     59.68109 
    59.00648     55.98693     53.01349     52.24111     50.15758     47.76227 
    42.98586     40.23915     37.16974     35.92101     35.30780     28.84718 
    28.71648     27.99152     22.91882     21.71863     20.11140     16.82508 
    13.77239     12.27627      9.84477      9.41686      7.43331      4.49345 
overlap for current and previous eigenvector    109 is         0.9999994646
overlap for current and previous eigenvector    110 is         0.9999993586
overlap for current and previous eigenvector    111 is         0.9999239496
overlap for current and previous eigenvector    112 is         0.9999201301
overlap for current and previous eigenvector    113 is        -0.9999955613
overlap for current and previous eigenvector    114 is         0.9999996748
J1,K1,R1,R2,RAT=   7   7   -0.9225285535E-02     2.009056821        0.9907747145    
FOB,PFOB,DIAG,PSTEP=   -0.2601335963E-05   -0.2577555277E-05     729.7471234        0.3532418732E-08
J1,K1,R1,R2,RAT=   8   8   -0.9912399474E-02     2.009880756        0.9900876005    
FOB,PFOB,DIAG,PSTEP=   -0.3588320015E-05   -0.3553099714E-05     673.0101978        0.5279497909E-08
J1,K1,R1,R2,RAT=   9   9   -0.2383478259E-01     2.023792879        0.9761652174    
FOB,PFOB,DIAG,PSTEP=    0.3674503505E-06    0.3588959640E-06     626.2231010       -0.5731239924E-09
J1,K1,R1,R2,RAT=  10  10    0.6537507433E-02     1.993470901        0.9934624926    
FOB,PFOB,DIAG,PSTEP=    0.1752670450E-05    0.1764203898E-05     604.4681600       -0.2918592902E-08
J1,K1,R1,R2,RAT=  11  11   -0.1136652160E-01     2.011396749        0.9886334784    
FOB,PFOB,DIAG,PSTEP=   -0.1194332207E-05   -0.1180909576E-05     588.8261959        0.2005501345E-08
J1,K1,R1,R2,RAT= 109 109    0.5988266861E-02     1.993988215        0.9939882153    
FOB,PFOB,DIAG,PSTEP=   -0.7753339452E-04   -0.7800048775E-04     13.77239079        0.5663606716E-05
J1,K1,R1,R2,RAT= 110 110   -0.4078819199         42.93046080        0.5921180801    
FOB,PFOB,DIAG,PSTEP=    0.2660165822E-02    0.2610093140E-02     12.27626926       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3133417744E-01     98.05423992        0.9686658226    
FOB,PFOB,DIAG,PSTEP=   -0.4825064369E-02   -0.4828149147E-02     9.844769103        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9650531814         47.03613226        0.3494681865E-01
FOB,PFOB,DIAG,PSTEP=    0.2260101269E-02    0.2169223600E-02     9.416856053       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     305.6937982       -0.6526969753        0.3473030247    
FOB,PFOB,DIAG,PSTEP=   -0.1624064625E-01    0.1617144213E-01     7.433312608       -0.1426389027E-04
J1,K1,R1,R2,RAT= 114 114    0.9961446575        -610.8374018        0.3855342459E-02
FOB,PFOB,DIAG,PSTEP=   -0.5498482085       -0.5480577596         4.493446066       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002     -0.00000      0.00002 
    -0.00002     -0.00003      0.00002      0.00002      0.00000      0.00003 
     0.00000      0.00001     -0.00000      0.00002     -0.00000     -0.00004 
    -0.00002     -0.00003     -0.00005      0.00003      0.00006     -0.00000 
     0.00002     -0.00002      0.00002      0.00001      0.00001     -0.00003 
    -0.00004     -0.00001      0.00004      0.00000      0.00005      0.00002 
    -0.00000      0.00006     -0.00004     -0.00004      0.00003      0.00001 
     0.00004     -0.00003     -0.00011      0.00011      0.00001      0.00009 
     0.00001     -0.00006     -0.00005     -0.00001     -0.00012     -0.00003 
    -0.00008      0.00266     -0.00483      0.00226     -0.01624     -0.54985 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4333534122
 Log product of positive Hessian eigenvalues =          520.0252010142
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4934460663
 Unscaled step for mode    7=        0.0000000036
 Unscaled step for mode    8=        0.0000000053
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000003
 Unscaled step for mode   13=        0.0000000055
 Unscaled step for mode   14=        0.0000000077
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000100
 Unscaled step for mode   17=       -0.0000000083
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000325
 Unscaled step for mode   20=       -0.0000000209
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000125
 Unscaled step for mode   23=        0.0000000007
 Unscaled step for mode   24=        0.0000000002
 Unscaled step for mode   25=        0.0000000479
 Unscaled step for mode   26=        0.0000000832
 Unscaled step for mode   27=        0.0000000433
 Unscaled step for mode   28=       -0.0000000230
 Unscaled step for mode   29=       -0.0000000104
 Unscaled step for mode   30=        0.0000000731
 Unscaled step for mode   31=        0.0000000322
 Unscaled step for mode   32=        0.0000000150
 Unscaled step for mode   33=       -0.0000000342
 Unscaled step for mode   34=       -0.0000000254
 Unscaled step for mode   35=       -0.0000000851
 Unscaled step for mode   36=       -0.0000000471
 Unscaled step for mode   37=        0.0000000553
 Unscaled step for mode   38=        0.0000000119
 Unscaled step for mode   39=        0.0000000699
 Unscaled step for mode   40=       -0.0000000112
 Unscaled step for mode   41=        0.0000001254
 Unscaled step for mode   42=        0.0000000367
 Unscaled step for mode   43=       -0.0000000425
 Unscaled step for mode   44=        0.0000000819
 Unscaled step for mode   45=       -0.0000000072
 Unscaled step for mode   46=       -0.0000000853
 Unscaled step for mode   47=        0.0000001368
 Unscaled step for mode   48=       -0.0000000144
 Unscaled step for mode   49=        0.0000001004
 Unscaled step for mode   50=        0.0000000468
 Unscaled step for mode   51=        0.0000000698
 Unscaled step for mode   52=        0.0000000089
 Unscaled step for mode   53=       -0.0000000612
 Unscaled step for mode   54=        0.0000000725
 Unscaled step for mode   55=        0.0000001134
 Unscaled step for mode   56=        0.0000000370
 Unscaled step for mode   57=       -0.0000000435
 Unscaled step for mode   58=        0.0000001335
 Unscaled step for mode   59=        0.0000000184
 Unscaled step for mode   60=       -0.0000001307
 Unscaled step for mode   61=        0.0000001411
 Unscaled step for mode   62=        0.0000002277
 Unscaled step for mode   63=       -0.0000001677
 Unscaled step for mode   64=       -0.0000001324
 Unscaled step for mode   65=       -0.0000000367
 Unscaled step for mode   66=       -0.0000002017
 Unscaled step for mode   67=       -0.0000000362
 Unscaled step for mode   68=       -0.0000000700
 Unscaled step for mode   69=        0.0000000336
 Unscaled step for mode   70=       -0.0000001865
 Unscaled step for mode   71=        0.0000000369
 Unscaled step for mode   72=        0.0000004239
 Unscaled step for mode   73=        0.0000002173
 Unscaled step for mode   74=        0.0000002977
 Unscaled step for mode   75=        0.0000005274
 Unscaled step for mode   76=       -0.0000002810
 Unscaled step for mode   77=       -0.0000006678
 Unscaled step for mode   78=        0.0000000029
 Unscaled step for mode   79=       -0.0000001929
 Unscaled step for mode   80=        0.0000002256
 Unscaled step for mode   81=       -0.0000002302
 Unscaled step for mode   82=       -0.0000000765
 Unscaled step for mode   83=       -0.0000001822
 Unscaled step for mode   84=        0.0000004264
 Unscaled step for mode   85=        0.0000005670
 Unscaled step for mode   86=        0.0000001696
 Unscaled step for mode   87=       -0.0000005736
 Unscaled step for mode   88=       -0.0000000203
 Unscaled step for mode   89=       -0.0000008022
 Unscaled step for mode   90=       -0.0000004062
 Unscaled step for mode   91=        0.0000000000
 Unscaled step for mode   92=       -0.0000010190
 Unscaled step for mode   93=        0.0000006811
 Unscaled step for mode   94=        0.0000007474
 Unscaled step for mode   95=       -0.0000005930
 Unscaled step for mode   96=       -0.0000002229
 Unscaled step for mode   97=       -0.0000008590
 Unscaled step for mode   98=        0.0000008208
 Unscaled step for mode   99=        0.0000028525
 Unscaled step for mode  100=       -0.0000031428
 Unscaled step for mode  101=       -0.0000001924
 Unscaled step for mode  102=       -0.0000030995
 Unscaled step for mode  103=       -0.0000003330
 Unscaled step for mode  104=        0.0000022733
 Unscaled step for mode  105=        0.0000020905
 Unscaled step for mode  106=        0.0000002953
 Unscaled step for mode  107=        0.0000060929
 Unscaled step for mode  108=        0.0000015750
 Unscaled step for mode  109=        0.0000056296
 Unscaled step for mode  110=       -0.0002166917
 Unscaled step for mode  111=        0.0004901144
 Unscaled step for mode  112=       -0.0002400059
 Unscaled step for mode  113=        0.0021848360
 Unscaled step for mode  114=       -0.1205873375
 Largest modulus ratio of non-zero e/values=           162.4025553    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.434331E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.658544E-15    0.100727E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.409828E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.735794E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.204117E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.374158E-15    0.973797E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.260134E-05    0.729747E+03  0.356471E-08 0.100000E-04    0.990775E+00
   8   -0.358832E-05    0.673010E+03  0.533175E-08 0.100000E-04    0.990088E+00
   9    0.367450E-06    0.626223E+03 -0.586772E-09 0.100000E-04    0.976165E+00
  10    0.175267E-05    0.604468E+03 -0.289952E-08 0.100000E-04    0.993462E+00
  11   -0.119433E-05    0.588826E+03  0.202833E-08 0.100000E-04    0.988633E+00
  12    0.178940E-06    0.568946E+03 -0.314512E-09 0.100000E-04    0.838487E+00
  13   -0.313870E-05    0.566424E+03  0.554125E-08 0.100000E-04    0.987482E+00
  14   -0.371902E-05    0.481485E+03  0.772407E-08 0.100000E-04    0.989813E+00
  15    0.178906E-05    0.466418E+03 -0.383574E-08 0.100000E-04    0.986830E+00
  16    0.462270E-05    0.461734E+03 -0.100116E-07 0.100000E-04    0.996088E+00
  17    0.366764E-05    0.441340E+03 -0.831025E-08 0.100000E-04    0.995485E+00
  18    0.476164E-05    0.430140E+03 -0.110700E-07 0.100000E-04    0.992600E+00
  19   -0.136890E-04    0.421547E+03  0.324733E-07 0.100000E-04    0.997239E+00
  20    0.852933E-05    0.407461E+03 -0.209329E-07 0.100000E-04    0.999270E+00
  21    0.726199E-05    0.397686E+03 -0.182606E-07 0.100000E-04    0.999626E+00
  22   -0.484235E-05    0.388844E+03  0.124532E-07 0.100000E-04    0.996762E+00
  23   -0.244011E-06    0.367526E+03  0.663929E-09 0.100000E-04    0.978571E+00
  24   -0.808777E-07    0.362278E+03  0.223248E-09 0.100000E-04    0.983773E+00
  25   -0.168394E-04    0.351277E+03  0.479378E-07 0.100000E-04    0.996089E+00
  26   -0.280773E-04    0.337557E+03  0.831780E-07 0.100000E-04    0.997647E+00
  27   -0.140737E-04    0.325286E+03  0.432656E-07 0.100000E-04    0.995731E+00
  28    0.738875E-05    0.321547E+03 -0.229787E-07 0.100000E-04    0.984235E+00
  29    0.331012E-05    0.319762E+03 -0.103518E-07 0.100000E-04    0.988660E+00
  30   -0.229631E-04    0.314224E+03  0.730786E-07 0.100000E-04    0.997105E+00
  31   -0.981041E-05    0.304550E+03  0.322128E-07 0.100000E-04    0.991139E+00
  32   -0.431349E-05    0.288104E+03  0.149720E-07 0.100000E-04    0.999675E+00
  33    0.953785E-05    0.279099E+03 -0.341738E-07 0.100000E-04    0.999576E+00
  34    0.688204E-05    0.270732E+03 -0.254201E-07 0.100000E-04    0.995944E+00
  35    0.226762E-04    0.266374E+03 -0.851291E-07 0.100000E-04    0.998211E+00
  36    0.124308E-04    0.263731E+03 -0.471344E-07 0.100000E-04    0.993865E+00
  37   -0.143113E-04    0.258853E+03  0.552873E-07 0.100000E-04    0.995323E+00
  38   -0.301784E-05    0.253785E+03  0.118913E-07 0.100000E-04    0.998487E+00
  39   -0.169466E-04    0.242533E+03  0.698734E-07 0.100000E-04    0.998580E+00
  40    0.265119E-05    0.237760E+03 -0.111507E-07 0.100000E-04    0.927138E+00
  41   -0.295427E-04    0.235652E+03  0.125366E-06 0.100000E-04    0.994494E+00
  42   -0.838976E-05    0.228672E+03  0.366891E-07 0.100000E-04    0.996358E+00
  43    0.939978E-05    0.221394E+03 -0.424572E-07 0.100000E-04    0.991176E+00
  44   -0.174684E-04    0.213305E+03  0.818942E-07 0.100000E-04    0.992883E+00
  45    0.153479E-05    0.211973E+03 -0.724049E-08 0.100000E-04    0.948922E+00
  46    0.177357E-04    0.207822E+03 -0.853410E-07 0.100000E-04    0.993925E+00
  47   -0.278189E-04    0.203420E+03  0.136756E-06 0.100000E-04    0.997567E+00
  48    0.285262E-05    0.197847E+03 -0.144183E-07 0.100000E-04    0.986558E+00
  49   -0.196243E-04    0.195441E+03  0.100411E-06 0.100000E-04    0.994244E+00
  50   -0.897219E-05    0.191585E+03  0.468313E-07 0.100000E-04    0.995783E+00
  51   -0.128986E-04    0.184888E+03  0.697644E-07 0.100000E-04    0.992803E+00
  52   -0.156489E-05    0.175794E+03  0.890184E-08 0.100000E-04    0.974366E+00
  53    0.104995E-04    0.171490E+03 -0.612250E-07 0.100000E-04    0.994815E+00
  54   -0.121555E-04    0.167602E+03  0.725257E-07 0.100000E-04    0.990146E+00
  55   -0.187543E-04    0.165378E+03  0.113402E-06 0.100000E-04    0.998214E+00
  56   -0.590363E-05    0.159579E+03  0.369949E-07 0.100000E-04    0.990291E+00
  57    0.668869E-05    0.153685E+03 -0.435219E-07 0.100000E-04    0.987869E+00
  58   -0.201610E-04    0.151058E+03  0.133465E-06 0.100000E-04    0.996239E+00
  59   -0.274643E-05    0.149041E+03  0.184273E-07 0.100000E-04    0.993140E+00
  60    0.187070E-04    0.143123E+03 -0.130706E-06 0.100000E-04    0.993532E+00
  61   -0.193363E-04    0.137002E+03  0.141138E-06 0.100000E-04    0.994906E+00
  62   -0.308676E-04    0.135584E+03  0.227664E-06 0.100000E-04    0.999446E+00
  63    0.219285E-04    0.130769E+03 -0.167688E-06 0.100000E-04    0.999604E+00
  64    0.169261E-04    0.127814E+03 -0.132428E-06 0.100000E-04    0.989899E+00
  65    0.462417E-05    0.126058E+03 -0.366827E-07 0.100000E-04    0.960574E+00
  66    0.253228E-04    0.125525E+03 -0.201735E-06 0.100000E-04    0.998711E+00
  67    0.432569E-05    0.119628E+03 -0.361595E-07 0.100000E-04    0.987705E+00
  68    0.825602E-05    0.118013E+03 -0.699586E-07 0.100000E-04    0.997637E+00
  69   -0.392477E-05    0.116909E+03  0.335711E-07 0.100000E-04    0.995892E+00
  70    0.207729E-04    0.111404E+03 -0.186464E-06 0.100000E-04    0.994467E+00
  71   -0.400010E-05    0.108454E+03  0.368830E-07 0.100000E-04    0.998553E+00
  72   -0.444866E-04    0.104946E+03  0.423899E-06 0.100000E-04    0.997274E+00
  73   -0.223851E-04    0.103026E+03  0.217276E-06 0.100000E-04    0.994611E+00
  74   -0.297348E-04    0.998850E+02  0.297691E-06 0.100000E-04    0.998338E+00
  75   -0.508140E-04    0.963549E+02  0.527363E-06 0.100000E-04    0.992386E+00
  76    0.267166E-04    0.950931E+02 -0.280952E-06 0.100000E-04    0.996717E+00
  77    0.615463E-04    0.921678E+02 -0.667763E-06 0.100000E-04    0.997873E+00
  78   -0.262899E-06    0.904041E+02  0.290804E-08 0.100000E-04    0.999447E+00
  79    0.173201E-04    0.897860E+02 -0.192904E-06 0.100000E-04    0.983951E+00
  80   -0.191385E-04    0.848190E+02  0.225639E-06 0.100000E-04    0.993942E+00
  81    0.186230E-04    0.809154E+02 -0.230154E-06 0.100000E-04    0.998499E+00
  82    0.609411E-05    0.796569E+02 -0.765045E-07 0.100000E-04    0.973902E+00
  83    0.142810E-04    0.783738E+02 -0.182216E-06 0.100000E-04    0.990510E+00
  84   -0.310098E-04    0.727289E+02  0.426375E-06 0.100000E-04    0.997305E+00
  85   -0.407894E-04    0.719402E+02  0.566990E-06 0.100000E-04    0.998999E+00
  86   -0.115870E-04    0.683005E+02  0.169648E-06 0.100000E-04    0.973509E+00
  87    0.386123E-04    0.673142E+02 -0.573613E-06 0.100000E-04    0.995151E+00
  88    0.128301E-05    0.633417E+02 -0.202554E-07 0.100000E-04    0.987234E+00
  89    0.487131E-04    0.607208E+02 -0.802246E-06 0.100000E-04    0.996752E+00
  90    0.242407E-04    0.596811E+02 -0.406170E-06 0.100000E-04    0.999831E+00
  91   -0.236700E-08    0.590065E+02  0.401143E-10 0.109000E-04    0.682684E-01
  92    0.570521E-04    0.559869E+02 -0.101903E-05 0.100000E-04    0.996043E+00
  93   -0.361080E-04    0.530135E+02  0.681109E-06 0.100000E-04    0.994604E+00
  94   -0.390443E-04    0.522411E+02  0.747387E-06 0.100000E-04    0.998874E+00
  95    0.297434E-04    0.501576E+02 -0.593000E-06 0.100000E-04    0.992400E+00
  96    0.106467E-04    0.477623E+02 -0.222909E-06 0.100000E-04    0.997172E+00
  97    0.369237E-04    0.429859E+02 -0.858972E-06 0.100000E-04    0.998583E+00
  98   -0.330281E-04    0.402392E+02  0.820796E-06 0.100000E-04    0.994643E+00
  99   -0.106026E-03    0.371697E+02  0.285248E-05 0.100000E-04    0.997789E+00
 100    0.112894E-03    0.359210E+02 -0.314284E-05 0.100000E-04    0.999315E+00
 101    0.679260E-05    0.353078E+02 -0.192382E-06 0.100000E-04    0.979274E+00
 102    0.894122E-04    0.288472E+02 -0.309951E-05 0.100000E-04    0.999176E+00
 103    0.956155E-05    0.287165E+02 -0.332964E-06 0.100000E-04    0.948822E+00
 104   -0.636336E-04    0.279915E+02  0.227332E-05 0.100000E-04    0.996890E+00
 105   -0.479115E-04    0.229188E+02  0.209049E-05 0.100000E-04    0.993861E+00
 106   -0.641416E-05    0.217186E+02  0.295330E-06 0.100000E-04    0.928295E+00
 107   -0.122537E-03    0.201114E+02  0.609291E-05 0.100000E-04    0.996032E+00
 108   -0.264996E-04    0.168251E+02  0.157501E-05 0.100000E-04    0.985716E+00
 109   -0.775334E-04    0.137724E+02  0.562962E-05 0.100000E-04    0.993988E+00
 110    0.266017E-02    0.122763E+02 -0.100000E-04 0.100000E-04    0.592118E+00
 111   -0.482506E-02    0.984477E+01  0.100000E-04 0.100000E-04    0.968666E+00
 112    0.226010E-02    0.941686E+01 -0.109000E-04 0.109000E-04    0.349468E-01
 113   -0.162406E-01    0.743331E+01  0.128504E-04 0.128504E-04    0.347303E+00
 114   -0.549848E+00    0.449345E+01 -0.400000E-03 0.400000E-03    0.385534E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1205873375    

 Beginning of optimization cycle  271.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3706704460
 potential> RMS force:                                               0.0516912215   |gradient|=.5519112174    
 Eigenvalues of the Hessian matrix:
   729.80861    673.02097    626.23627    604.46530    588.81741    568.98790 
   566.43473    481.50836    466.39449    461.72619    441.34045    430.13192 
   421.55278    407.47051    397.68092    388.84424    367.53192    362.26896 
   351.26947    337.52978    325.29513    321.54594    319.77294    314.19594 
   304.54163    288.11107    279.09328    270.73003    266.38217    263.74064 
   258.86378    253.78800    242.52840    237.76238    235.64683    228.67038 
   221.37377    213.31240    211.97786    207.81200    203.42247    197.84249 
   195.43891    191.58477    184.87734    175.78087    171.49625    167.59979 
   165.37376    159.57073    153.68947    151.06120    149.03679    143.12548 
   137.00360    135.58832    130.76762    127.81692    126.05834    125.52806 
   119.62983    118.01386    116.91123    111.39769    108.44339    104.94303 
   103.02745     99.88274     96.34634     95.09147     92.18012     90.40219 
    89.78936     84.82176     80.91556     79.65969     78.37228     72.72908 
    71.94444     68.30020     67.30258     63.34039     60.71079     59.68188 
    59.00807     55.98806     53.00936     52.24170     50.15615     47.75943 
    42.98343     40.24155     37.17343     35.92604     35.29709     28.84652 
    28.71568     27.98323     22.91905     21.71408     20.11623     16.82513 
    13.77256     12.27557      9.84396      9.40895      7.42984      4.48956 
overlap for current and previous eigenvector    109 is         0.9999994728
overlap for current and previous eigenvector    110 is         0.9999993632
overlap for current and previous eigenvector    111 is         0.9999299508
overlap for current and previous eigenvector    112 is         0.9999260580
overlap for current and previous eigenvector    113 is        -0.9999955296
overlap for current and previous eigenvector    114 is         0.9999996752
J1,K1,R1,R2,RAT=   7   7   -0.1032712865E-01     2.010158637        0.9896728713    
FOB,PFOB,DIAG,PSTEP=   -0.2628202558E-05   -0.2601335963E-05     729.8086068        0.3564708760E-08
J1,K1,R1,R2,RAT=   8   8   -0.1450854267E-03     2.000113069        0.9998549146    
FOB,PFOB,DIAG,PSTEP=   -0.3588840637E-05   -0.3588320015E-05     673.0209718        0.5331746870E-08
J1,K1,R1,R2,RAT=   9   9    0.4922180235E-01     1.950736144        0.9507361435    
FOB,PFOB,DIAG,PSTEP=    0.3493634017E-06    0.3674503505E-06     626.2362689       -0.5867722701E-09
J1,K1,R1,R2,RAT=  10  10   -0.1220518627E-01     2.012214634        0.9877948137    
FOB,PFOB,DIAG,PSTEP=    0.1774062019E-05    0.1752670450E-05     604.4653045       -0.2899524849E-08
J1,K1,R1,R2,RAT=  11  11    0.1986802388E-02     1.998043028        0.9980131976    
FOB,PFOB,DIAG,PSTEP=   -0.1191959341E-05   -0.1194332207E-05     588.8174135        0.2028327231E-08
J1,K1,R1,R2,RAT= 109 109   -0.2911915239E-02     2.002887163        0.9970880848    
FOB,PFOB,DIAG,PSTEP=   -0.7775916799E-04   -0.7753339452E-04     13.77256124        0.5629624929E-05
J1,K1,R1,R2,RAT= 110 110   -0.4161763192         43.75697728        0.5838236808    
FOB,PFOB,DIAG,PSTEP=    0.2711253850E-02    0.2660165822E-02     12.27557296       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3885500030E-01     97.99211947        0.9611449997    
FOB,PFOB,DIAG,PSTEP=   -0.4821239499E-02   -0.4825064369E-02     9.843958800        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7943050463         44.86907052        0.2056949537    
FOB,PFOB,DIAG,PSTEP=    0.2341563294E-02    0.2260101269E-02     9.408954898       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     341.0429867       -0.8394270780        0.1605729220    
FOB,PFOB,DIAG,PSTEP=    0.1632079144E-01   -0.1624064625E-01     7.429839612        0.1285035159E-04
J1,K1,R1,R2,RAT= 114 114    0.9961159326        -613.3587106        0.3884067438E-02
FOB,PFOB,DIAG,PSTEP=   -0.5516370590       -0.5498482085         4.489563972       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000     -0.00002 
    -0.00002     -0.00003      0.00002      0.00002      0.00000      0.00003 
     0.00000      0.00001     -0.00000      0.00002     -0.00000     -0.00004 
    -0.00002     -0.00003     -0.00005      0.00003      0.00006     -0.00000 
     0.00002     -0.00002      0.00002      0.00001      0.00001     -0.00003 
    -0.00004     -0.00001      0.00004      0.00000      0.00005      0.00002 
     0.00000      0.00006     -0.00004     -0.00004      0.00003      0.00001 
     0.00004     -0.00003     -0.00011      0.00011     -0.00001     -0.00009 
    -0.00001      0.00006     -0.00005     -0.00001     -0.00012     -0.00003 
    -0.00008      0.00271     -0.00482      0.00234      0.01632     -0.55164 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4332491829
 Log product of positive Hessian eigenvalues =          520.0219993726
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4895639715
 Unscaled step for mode    7=        0.0000000036
 Unscaled step for mode    8=        0.0000000053
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000003
 Unscaled step for mode   13=        0.0000000055
 Unscaled step for mode   14=        0.0000000077
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000101
 Unscaled step for mode   17=       -0.0000000084
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000326
 Unscaled step for mode   20=       -0.0000000209
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000126
 Unscaled step for mode   23=        0.0000000006
 Unscaled step for mode   24=        0.0000000003
 Unscaled step for mode   25=        0.0000000481
 Unscaled step for mode   26=        0.0000000835
 Unscaled step for mode   27=        0.0000000434
 Unscaled step for mode   28=       -0.0000000233
 Unscaled step for mode   29=       -0.0000000106
 Unscaled step for mode   30=        0.0000000732
 Unscaled step for mode   31=        0.0000000324
 Unscaled step for mode   32=        0.0000000152
 Unscaled step for mode   33=       -0.0000000344
 Unscaled step for mode   34=       -0.0000000257
 Unscaled step for mode   35=       -0.0000000852
 Unscaled step for mode   36=       -0.0000000475
 Unscaled step for mode   37=        0.0000000555
 Unscaled step for mode   38=        0.0000000118
 Unscaled step for mode   39=        0.0000000701
 Unscaled step for mode   40=       -0.0000000101
 Unscaled step for mode   41=        0.0000001262
 Unscaled step for mode   42=        0.0000000369
 Unscaled step for mode   43=       -0.0000000427
 Unscaled step for mode   44=        0.0000000823
 Unscaled step for mode   45=       -0.0000000074
 Unscaled step for mode   46=       -0.0000000857
 Unscaled step for mode   47=        0.0000001370
 Unscaled step for mode   48=       -0.0000000145
 Unscaled step for mode   49=        0.0000001007
 Unscaled step for mode   50=        0.0000000472
 Unscaled step for mode   51=        0.0000000698
 Unscaled step for mode   52=        0.0000000090
 Unscaled step for mode   53=       -0.0000000614
 Unscaled step for mode   54=        0.0000000728
 Unscaled step for mode   55=        0.0000001136
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=       -0.0000000437
 Unscaled step for mode   58=        0.0000001340
 Unscaled step for mode   59=       -0.0000000177
 Unscaled step for mode   60=        0.0000001308
 Unscaled step for mode   61=        0.0000001423
 Unscaled step for mode   62=        0.0000002280
 Unscaled step for mode   63=       -0.0000001683
 Unscaled step for mode   64=       -0.0000001333
 Unscaled step for mode   65=       -0.0000000380
 Unscaled step for mode   66=       -0.0000002022
 Unscaled step for mode   67=       -0.0000000363
 Unscaled step for mode   68=       -0.0000000702
 Unscaled step for mode   69=        0.0000000340
 Unscaled step for mode   70=       -0.0000001869
 Unscaled step for mode   71=        0.0000000373
 Unscaled step for mode   72=        0.0000004267
 Unscaled step for mode   73=        0.0000002180
 Unscaled step for mode   74=        0.0000002983
 Unscaled step for mode   75=        0.0000005309
 Unscaled step for mode   76=       -0.0000002792
 Unscaled step for mode   77=       -0.0000006675
 Unscaled step for mode   78=        0.0000000038
 Unscaled step for mode   79=       -0.0000001921
 Unscaled step for mode   80=        0.0000002258
 Unscaled step for mode   81=       -0.0000002311
 Unscaled step for mode   82=       -0.0000000756
 Unscaled step for mode   83=       -0.0000001815
 Unscaled step for mode   84=        0.0000004292
 Unscaled step for mode   85=        0.0000005693
 Unscaled step for mode   86=        0.0000001656
 Unscaled step for mode   87=       -0.0000005751
 Unscaled step for mode   88=       -0.0000000212
 Unscaled step for mode   89=       -0.0000008042
 Unscaled step for mode   90=       -0.0000004101
 Unscaled step for mode   91=       -0.0000000007
 Unscaled step for mode   92=       -0.0000010192
 Unscaled step for mode   93=        0.0000006817
 Unscaled step for mode   94=        0.0000007519
 Unscaled step for mode   95=       -0.0000005939
 Unscaled step for mode   96=       -0.0000002211
 Unscaled step for mode   97=       -0.0000008634
 Unscaled step for mode   98=        0.0000008250
 Unscaled step for mode   99=        0.0000028676
 Unscaled step for mode  100=       -0.0000031353
 Unscaled step for mode  101=        0.0000002037
 Unscaled step for mode  102=        0.0000031139
 Unscaled step for mode  103=        0.0000003172
 Unscaled step for mode  104=       -0.0000023023
 Unscaled step for mode  105=        0.0000020920
 Unscaled step for mode  106=        0.0000003295
 Unscaled step for mode  107=        0.0000060654
 Unscaled step for mode  108=        0.0000015409
 Unscaled step for mode  109=        0.0000056459
 Unscaled step for mode  110=       -0.0002208658
 Unscaled step for mode  111=        0.0004897662
 Unscaled step for mode  112=       -0.0002488654
 Unscaled step for mode  113=       -0.0021966440
 Unscaled step for mode  114=       -0.1210699315
 Largest modulus ratio of non-zero e/values=           162.5566784    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.389012E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.484422E-15    0.100726E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.288799E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.301408E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.475911E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.636291E-15    0.973799E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.262820E-05    0.729809E+03  0.360122E-08 0.100000E-04    0.989673E+00
   8   -0.358884E-05    0.673021E+03  0.533244E-08 0.100000E-04    0.999855E+00
   9    0.349363E-06    0.626236E+03 -0.557878E-09 0.100000E-04    0.950736E+00
  10    0.177406E-05    0.604465E+03 -0.293493E-08 0.100000E-04    0.987795E+00
  11   -0.119196E-05    0.588817E+03  0.202433E-08 0.100000E-04    0.998013E+00
  12    0.145161E-06    0.568988E+03 -0.255121E-09 0.100000E-04    0.811091E+00
  13   -0.312300E-05    0.566435E+03  0.551344E-08 0.100000E-04    0.994961E+00
  14   -0.369805E-05    0.481508E+03  0.768013E-08 0.100000E-04    0.994264E+00
  15    0.176730E-05    0.466394E+03 -0.378927E-08 0.100000E-04    0.987835E+00
  16    0.465438E-05    0.461726E+03 -0.100804E-07 0.100000E-04    0.993146E+00
  17    0.369026E-05    0.441340E+03 -0.836148E-08 0.100000E-04    0.993834E+00
  18    0.474721E-05    0.430132E+03 -0.110366E-07 0.100000E-04    0.996970E+00
  19   -0.137401E-04    0.421553E+03  0.325940E-07 0.100000E-04    0.996270E+00
  20    0.852223E-05    0.407471E+03 -0.209150E-07 0.100000E-04    0.999122E+00
  21    0.726962E-05    0.397681E+03 -0.182800E-07 0.100000E-04    0.998949E+00
  22   -0.490012E-05    0.388844E+03  0.126018E-07 0.100000E-04    0.988069E+00
  23   -0.233703E-06    0.367532E+03  0.635871E-09 0.100000E-04    0.957725E+00
  24   -0.119735E-06    0.362269E+03  0.330515E-09 0.100000E-04    0.519540E+00
  25   -0.168834E-04    0.351269E+03  0.480639E-07 0.100000E-04    0.997392E+00
  26   -0.281794E-04    0.337530E+03  0.834871E-07 0.100000E-04    0.996365E+00
  27   -0.141080E-04    0.325295E+03  0.433699E-07 0.100000E-04    0.997560E+00
  28    0.750753E-05    0.321546E+03 -0.233482E-07 0.100000E-04    0.983923E+00
  29    0.339792E-05    0.319773E+03 -0.106261E-07 0.100000E-04    0.973474E+00
  30   -0.229893E-04    0.314196E+03  0.731687E-07 0.100000E-04    0.998857E+00
  31   -0.985975E-05    0.304542E+03  0.323757E-07 0.100000E-04    0.994971E+00
  32   -0.436663E-05    0.288111E+03  0.151561E-07 0.100000E-04    0.987681E+00
  33    0.960446E-05    0.279093E+03 -0.344131E-07 0.100000E-04    0.993016E+00
  34    0.695203E-05    0.270730E+03 -0.256788E-07 0.100000E-04    0.989829E+00
  35    0.226917E-04    0.266382E+03 -0.851846E-07 0.100000E-04    0.999318E+00
  36    0.125247E-04    0.263741E+03 -0.474888E-07 0.100000E-04    0.992445E+00
  37   -0.143729E-04    0.258864E+03  0.555231E-07 0.100000E-04    0.995694E+00
  38   -0.298298E-05    0.253788E+03  0.117538E-07 0.100000E-04    0.988429E+00
  39   -0.169972E-04    0.242528E+03  0.700835E-07 0.100000E-04    0.997014E+00
  40    0.240253E-05    0.237762E+03 -0.101047E-07 0.100000E-04    0.906187E+00
  41   -0.297417E-04    0.235647E+03  0.126213E-06 0.100000E-04    0.993265E+00
  42   -0.844713E-05    0.228670E+03  0.369402E-07 0.100000E-04    0.993162E+00
  43    0.945027E-05    0.221374E+03 -0.426892E-07 0.100000E-04    0.994628E+00
  44   -0.175611E-04    0.213312E+03  0.823257E-07 0.100000E-04    0.994696E+00
  45    0.157189E-05    0.211978E+03 -0.741536E-08 0.100000E-04    0.975824E+00
  46    0.178195E-04    0.207812E+03 -0.857483E-07 0.100000E-04    0.995275E+00
  47   -0.278606E-04    0.203422E+03  0.136959E-06 0.100000E-04    0.998502E+00
  48    0.287639E-05    0.197842E+03 -0.145388E-07 0.100000E-04    0.991666E+00
  49   -0.196736E-04    0.195439E+03  0.100663E-06 0.100000E-04    0.997492E+00
  50   -0.904830E-05    0.191585E+03  0.472287E-07 0.100000E-04    0.991518E+00
  51   -0.129134E-04    0.184877E+03  0.698487E-07 0.100000E-04    0.998848E+00
  52   -0.157472E-05    0.175781E+03  0.895843E-08 0.100000E-04    0.993715E+00
  53    0.105256E-04    0.171496E+03 -0.613749E-07 0.100000E-04    0.997516E+00
  54   -0.122038E-04    0.167600E+03  0.728153E-07 0.100000E-04    0.996020E+00
  55   -0.187812E-04    0.165374E+03  0.113568E-06 0.100000E-04    0.998564E+00
  56   -0.595500E-05    0.159571E+03  0.373189E-07 0.100000E-04    0.991298E+00
  57    0.672090E-05    0.153689E+03 -0.437304E-07 0.100000E-04    0.995184E+00
  58   -0.202357E-04    0.151061E+03  0.133957E-06 0.100000E-04    0.996295E+00
  59    0.263861E-05    0.149037E+03 -0.177044E-07 0.100000E-04    0.960742E+00
  60   -0.187195E-04    0.143125E+03  0.130791E-06 0.100000E-04    0.999329E+00
  61   -0.194906E-04    0.137004E+03  0.142264E-06 0.100000E-04    0.992016E+00
  62   -0.309126E-04    0.135588E+03  0.227988E-06 0.100000E-04    0.998542E+00
  63    0.220145E-04    0.130768E+03 -0.168348E-06 0.100000E-04    0.996076E+00
  64    0.170410E-04    0.127817E+03 -0.133324E-06 0.100000E-04    0.993213E+00
  65    0.479303E-05    0.126058E+03 -0.380223E-07 0.100000E-04    0.963484E+00
  66    0.253874E-04    0.125528E+03 -0.202244E-06 0.100000E-04    0.997451E+00
  67    0.434289E-05    0.119630E+03 -0.363028E-07 0.100000E-04    0.996023E+00
  68    0.828045E-05    0.118014E+03 -0.701651E-07 0.100000E-04    0.997041E+00
  69   -0.397379E-05    0.116911E+03  0.339898E-07 0.100000E-04    0.987509E+00
  70    0.208185E-04    0.111398E+03 -0.186884E-06 0.100000E-04    0.997803E+00
  71   -0.404010E-05    0.108443E+03  0.372554E-07 0.100000E-04    0.989998E+00
  72   -0.447770E-04    0.104943E+03  0.426679E-06 0.100000E-04    0.993474E+00
  73   -0.224645E-04    0.103027E+03  0.218044E-06 0.100000E-04    0.996452E+00
  74   -0.297951E-04    0.998827E+02  0.298301E-06 0.100000E-04    0.997973E+00
  75   -0.511456E-04    0.963463E+02  0.530852E-06 0.100000E-04    0.993472E+00
  76    0.265536E-04    0.950915E+02 -0.279243E-06 0.100000E-04    0.993902E+00
  77    0.615307E-04    0.921801E+02 -0.667505E-06 0.100000E-04    0.999479E+00
  78   -0.344324E-06    0.904022E+02  0.380880E-08 0.100000E-04    0.690273E+00
  79    0.172484E-04    0.897894E+02 -0.192098E-06 0.100000E-04    0.995785E+00
  80   -0.191492E-04    0.848218E+02  0.225759E-06 0.100000E-04    0.999440E+00
  81    0.186991E-04    0.809156E+02 -0.231094E-06 0.100000E-04    0.995917E+00
  82    0.601940E-05    0.796597E+02 -0.755639E-07 0.100000E-04    0.987670E+00
  83    0.142230E-04    0.783723E+02 -0.181480E-06 0.100000E-04    0.995939E+00
  84   -0.312122E-04    0.727291E+02  0.429157E-06 0.100000E-04    0.993473E+00
  85   -0.409585E-04    0.719444E+02  0.569307E-06 0.100000E-04    0.995854E+00
  86   -0.113139E-04    0.683002E+02  0.165649E-06 0.100000E-04    0.976425E+00
  87    0.387028E-04    0.673026E+02 -0.575057E-06 0.100000E-04    0.997656E+00
  88    0.134380E-05    0.633404E+02 -0.212155E-07 0.100000E-04    0.952620E+00
  89    0.488262E-04    0.607108E+02 -0.804242E-06 0.100000E-04    0.997677E+00
  90    0.244747E-04    0.596819E+02 -0.410085E-06 0.100000E-04    0.990348E+00
  91    0.422395E-07    0.590081E+02 -0.715826E-09 0.100000E-04    0.158447E+02
  92    0.570624E-04    0.559881E+02 -0.101919E-05 0.100000E-04    0.999819E+00
  93   -0.361358E-04    0.530094E+02  0.681687E-06 0.100000E-04    0.999229E+00
  94   -0.392810E-04    0.522417E+02  0.751909E-06 0.100000E-04    0.993938E+00
  95    0.297892E-04    0.501561E+02 -0.593928E-06 0.100000E-04    0.998463E+00
  96    0.105614E-04    0.477594E+02 -0.221138E-06 0.100000E-04    0.991993E+00
  97    0.371102E-04    0.429834E+02 -0.863362E-06 0.100000E-04    0.994946E+00
  98   -0.331985E-04    0.402415E+02  0.824980E-06 0.100000E-04    0.994843E+00
  99   -0.106600E-03    0.371734E+02  0.286764E-05 0.100000E-04    0.994587E+00
 100    0.112637E-03    0.359260E+02 -0.313526E-05 0.100000E-04    0.997445E+00
 101   -0.718984E-05    0.352971E+02  0.203695E-06 0.100000E-04    0.941501E+00
 102   -0.898265E-04    0.288465E+02  0.311395E-05 0.100000E-04    0.995367E+00
 103   -0.910920E-05    0.287157E+02  0.317220E-06 0.100000E-04    0.952689E+00
 104    0.644258E-04    0.279832E+02 -0.230230E-05 0.100000E-04    0.987546E+00
 105   -0.479463E-04    0.229191E+02  0.209199E-05 0.100000E-04    0.999274E+00
 106   -0.715435E-05    0.217141E+02  0.329480E-06 0.100000E-04    0.884576E+00
 107   -0.122013E-03    0.201162E+02  0.606541E-05 0.100000E-04    0.995247E+00
 108   -0.259256E-04    0.168251E+02  0.154088E-05 0.100000E-04    0.978332E+00
 109   -0.777592E-04    0.137726E+02  0.564595E-05 0.100000E-04    0.997088E+00
 110    0.271125E-02    0.122756E+02 -0.100000E-04 0.100000E-04    0.583824E+00
 111   -0.482124E-02    0.984396E+01  0.100000E-04 0.100000E-04    0.961145E+00
 112    0.234156E-02    0.940895E+01 -0.100000E-04 0.100000E-04    0.205695E+00
 113    0.163208E-01    0.742984E+01 -0.140069E-04 0.140069E-04    0.160573E+00
 114   -0.551637E+00    0.448956E+01 -0.400000E-03 0.400000E-03    0.388407E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1210699315    

 Beginning of optimization cycle  272.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3704497587
 potential> RMS force:                                               0.0518587850   |gradient|=.5537003057    
 Eigenvalues of the Hessian matrix:
   729.87012    673.03155    626.24933    604.46257    588.80847    569.02981 
   566.44557    481.53180    466.37120    461.71831    441.34088    430.12384 
   421.55826    407.47968    397.67610    388.84474    367.53749    362.25969 
   351.26198    337.50264    325.30449    321.54444    319.78401    314.16780 
   304.53319    288.11832    279.08783    270.72855    266.39012    263.74996 
   258.87467    253.79056    242.52348    237.76532    235.64189    228.66878 
   221.35349    213.31999    211.98288    207.80229    203.42534    197.83767 
   195.43672    191.58414    184.86708    175.76824    171.50239    167.59773 
   165.36922    159.56191    153.69350    151.06468    149.03228    143.12803 
   137.00479    135.59302    130.76587    127.82026    126.05819    125.53109 
   119.63169    118.01477    116.91335    111.39107    108.43306    104.93976 
   103.02884     99.88048     96.33777     95.08977     92.19253     90.40040 
    89.79254     84.82450     80.91568     79.66247     78.37078     72.72929 
    71.94870     68.29980     67.29089     63.33906     60.70073     59.68269 
    59.00960     55.98914     53.00520     52.24230     50.15471     47.75652 
    42.98101     40.24394     37.17712     35.93093     35.28629     28.84584 
    28.71486     27.97491     22.91936     21.70950     20.12102     16.82517 
    13.77273     12.27489      9.84327      9.40093      7.42631      4.48566 
overlap for current and previous eigenvector    109 is         0.9999994729
overlap for current and previous eigenvector    110 is         0.9999993658
overlap for current and previous eigenvector    111 is         0.9999340449
overlap for current and previous eigenvector    112 is         0.9999300476
overlap for current and previous eigenvector    113 is         0.9999954632
overlap for current and previous eigenvector    114 is        -0.9999996776
J1,K1,R1,R2,RAT=   7   7   -0.9053577197E-02     2.008885028        0.9909464228    
FOB,PFOB,DIAG,PSTEP=   -0.2651999198E-05   -0.2628202558E-05     729.8701162        0.3601221654E-08
J1,K1,R1,R2,RAT=   8   8   -0.9718053556E-02     2.009686629        0.9902819464    
FOB,PFOB,DIAG,PSTEP=   -0.3623717730E-05   -0.3588840637E-05     673.0315465        0.5332435076E-08
J1,K1,R1,R2,RAT=   9   9   -0.1652981605E-01     2.016488109        0.9834701839    
FOB,PFOB,DIAG,PSTEP=    0.3551384349E-06    0.3493634017E-06     626.2493283       -0.5578779433E-09
J1,K1,R1,R2,RAT=  10  10    0.6886656038E-02     1.993122393        0.9931133440    
FOB,PFOB,DIAG,PSTEP=    0.1761844719E-05    0.1774062019E-05     604.4625697       -0.2934927787E-08
J1,K1,R1,R2,RAT=  11  11   -0.9568061766E-02     2.009598452        0.9904319382    
FOB,PFOB,DIAG,PSTEP=   -0.1203363908E-05   -0.1191959341E-05     588.8084664        0.2024327599E-08
J1,K1,R1,R2,RAT= 109 109    0.5154102001E-02     1.994820881        0.9948208809    
FOB,PFOB,DIAG,PSTEP=   -0.7735838429E-04   -0.7775916799E-04     13.77273352        0.5645948246E-05
J1,K1,R1,R2,RAT= 110 110   -0.4161075417         44.59170246        0.5838924583    
FOB,PFOB,DIAG,PSTEP=    0.2762330612E-02    0.2711253850E-02     12.27489457       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.6208271398E-01     97.89805039        0.9379172860    
FOB,PFOB,DIAG,PSTEP=   -0.4815128531E-02   -0.4821239499E-02     9.843268574        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9476089761         50.76319185        0.5239102392E-01
FOB,PFOB,DIAG,PSTEP=    0.2430647323E-02    0.2341563294E-02     9.400927016       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.6823440095         314.4848965        0.3176559905    
FOB,PFOB,DIAG,PSTEP=    0.1639176851E-01    0.1632079144E-01     7.426312674       -0.1400688323E-04
J1,K1,R1,R2,RAT= 114 114    -615.8851771        0.9961142251        0.3885774851E-02
FOB,PFOB,DIAG,PSTEP=    0.5534243522       -0.5516370590         4.485663287       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000     -0.00002 
    -0.00002      0.00003      0.00002      0.00002      0.00000      0.00003 
     0.00000     -0.00001      0.00000      0.00002     -0.00000      0.00004 
    -0.00002      0.00003      0.00005      0.00003      0.00006     -0.00000 
     0.00002      0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004     -0.00001      0.00004      0.00000      0.00005      0.00002 
     0.00000      0.00006     -0.00004     -0.00004      0.00003      0.00001 
     0.00004     -0.00003     -0.00011     -0.00011     -0.00001     -0.00009 
    -0.00001      0.00006     -0.00005     -0.00001     -0.00012     -0.00003 
    -0.00008      0.00276     -0.00482      0.00243      0.01639      0.55342 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4331487726
 Log product of positive Hessian eigenvalues =          520.0187713659
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4856632871
 Unscaled step for mode    7=        0.0000000036
 Unscaled step for mode    8=        0.0000000054
 Unscaled step for mode    9=       -0.0000000006
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000002
 Unscaled step for mode   13=        0.0000000056
 Unscaled step for mode   14=        0.0000000076
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000101
 Unscaled step for mode   17=       -0.0000000084
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000327
 Unscaled step for mode   20=       -0.0000000209
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000126
 Unscaled step for mode   23=        0.0000000006
 Unscaled step for mode   24=        0.0000000003
 Unscaled step for mode   25=        0.0000000482
 Unscaled step for mode   26=        0.0000000837
 Unscaled step for mode   27=        0.0000000436
 Unscaled step for mode   28=       -0.0000000237
 Unscaled step for mode   29=       -0.0000000108
 Unscaled step for mode   30=        0.0000000734
 Unscaled step for mode   31=        0.0000000327
 Unscaled step for mode   32=        0.0000000152
 Unscaled step for mode   33=       -0.0000000344
 Unscaled step for mode   34=       -0.0000000258
 Unscaled step for mode   35=       -0.0000000853
 Unscaled step for mode   36=       -0.0000000478
 Unscaled step for mode   37=        0.0000000558
 Unscaled step for mode   38=        0.0000000117
 Unscaled step for mode   39=        0.0000000702
 Unscaled step for mode   40=       -0.0000000092
 Unscaled step for mode   41=        0.0000001269
 Unscaled step for mode   42=        0.0000000371
 Unscaled step for mode   43=       -0.0000000431
 Unscaled step for mode   44=        0.0000000829
 Unscaled step for mode   45=       -0.0000000071
 Unscaled step for mode   46=       -0.0000000863
 Unscaled step for mode   47=        0.0000001373
 Unscaled step for mode   48=       -0.0000000147
 Unscaled step for mode   49=        0.0000001012
 Unscaled step for mode   50=        0.0000000470
 Unscaled step for mode   51=        0.0000000703
 Unscaled step for mode   52=       -0.0000000092
 Unscaled step for mode   53=        0.0000000617
 Unscaled step for mode   54=        0.0000000735
 Unscaled step for mode   55=        0.0000001137
 Unscaled step for mode   56=        0.0000000370
 Unscaled step for mode   57=       -0.0000000442
 Unscaled step for mode   58=        0.0000001344
 Unscaled step for mode   59=       -0.0000000175
 Unscaled step for mode   60=        0.0000001316
 Unscaled step for mode   61=        0.0000001430
 Unscaled step for mode   62=       -0.0000002279
 Unscaled step for mode   63=       -0.0000001683
 Unscaled step for mode   64=       -0.0000001346
 Unscaled step for mode   65=       -0.0000000394
 Unscaled step for mode   66=       -0.0000002020
 Unscaled step for mode   67=       -0.0000000367
 Unscaled step for mode   68=        0.0000000703
 Unscaled step for mode   69=       -0.0000000341
 Unscaled step for mode   70=       -0.0000001879
 Unscaled step for mode   71=        0.0000000374
 Unscaled step for mode   72=       -0.0000004279
 Unscaled step for mode   73=        0.0000002191
 Unscaled step for mode   74=       -0.0000002978
 Unscaled step for mode   75=       -0.0000005348
 Unscaled step for mode   76=       -0.0000002781
 Unscaled step for mode   77=       -0.0000006686
 Unscaled step for mode   78=        0.0000000038
 Unscaled step for mode   79=       -0.0000001890
 Unscaled step for mode   80=       -0.0000002270
 Unscaled step for mode   81=        0.0000002315
 Unscaled step for mode   82=       -0.0000000735
 Unscaled step for mode   83=       -0.0000001831
 Unscaled step for mode   84=       -0.0000004303
 Unscaled step for mode   85=        0.0000005697
 Unscaled step for mode   86=        0.0000001611
 Unscaled step for mode   87=       -0.0000005778
 Unscaled step for mode   88=       -0.0000000216
 Unscaled step for mode   89=       -0.0000008070
 Unscaled step for mode   90=       -0.0000004103
 Unscaled step for mode   91=       -0.0000000013
 Unscaled step for mode   92=       -0.0000010228
 Unscaled step for mode   93=        0.0000006782
 Unscaled step for mode   94=        0.0000007527
 Unscaled step for mode   95=       -0.0000005895
 Unscaled step for mode   96=       -0.0000002216
 Unscaled step for mode   97=       -0.0000008644
 Unscaled step for mode   98=        0.0000008289
 Unscaled step for mode   99=        0.0000028733
 Unscaled step for mode  100=        0.0000031326
 Unscaled step for mode  101=        0.0000002084
 Unscaled step for mode  102=        0.0000031167
 Unscaled step for mode  103=        0.0000002987
 Unscaled step for mode  104=       -0.0000022983
 Unscaled step for mode  105=        0.0000021051
 Unscaled step for mode  106=        0.0000003091
 Unscaled step for mode  107=        0.0000060826
 Unscaled step for mode  108=        0.0000015182
 Unscaled step for mode  109=        0.0000056168
 Unscaled step for mode  110=       -0.0002250390
 Unscaled step for mode  111=        0.0004891797
 Unscaled step for mode  112=       -0.0002585540
 Unscaled step for mode  113=       -0.0022072446
 Unscaled step for mode  114=        0.1215533474
 Largest modulus ratio of non-zero e/values=           162.7117484    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.867362E-16    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.588722E-15    0.100726E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.211338E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.167401E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.107498E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.361500E-15    0.973801E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.265200E-05    0.729870E+03  0.363352E-08 0.100000E-04    0.990946E+00
   8   -0.362372E-05    0.673032E+03  0.538417E-08 0.100000E-04    0.990282E+00
   9    0.355138E-06    0.626249E+03 -0.567088E-09 0.100000E-04    0.983470E+00
  10    0.176184E-05    0.604463E+03 -0.291473E-08 0.100000E-04    0.993113E+00
  11   -0.120336E-05    0.588808E+03  0.204373E-08 0.100000E-04    0.990432E+00
  12    0.107121E-06    0.569030E+03 -0.188252E-09 0.100000E-04    0.737820E+00
  13   -0.315861E-05    0.566446E+03  0.557620E-08 0.100000E-04    0.988598E+00
  14   -0.365973E-05    0.481532E+03  0.760018E-08 0.100000E-04    0.989541E+00
  15    0.178796E-05    0.466371E+03 -0.383378E-08 0.100000E-04    0.988305E+00
  16    0.467167E-05    0.461718E+03 -0.101180E-07 0.100000E-04    0.996286E+00
  17    0.370273E-05    0.441341E+03 -0.838973E-08 0.100000E-04    0.996620E+00
  18    0.477730E-05    0.430124E+03 -0.111068E-07 0.100000E-04    0.993663E+00
  19   -0.137769E-04    0.421558E+03  0.326808E-07 0.100000E-04    0.997323E+00
  20    0.851317E-05    0.407480E+03 -0.208923E-07 0.100000E-04    0.998893E+00
  21    0.727090E-05    0.397676E+03 -0.182835E-07 0.100000E-04    0.999824E+00
  22   -0.491879E-05    0.388845E+03  0.126498E-07 0.100000E-04    0.996189E+00
  23   -0.224411E-06    0.367537E+03  0.610580E-09 0.100000E-04    0.960211E+00
  24   -0.123322E-06    0.362260E+03  0.340425E-09 0.100000E-04    0.970042E+00
  25   -0.169455E-04    0.351262E+03  0.482416E-07 0.100000E-04    0.996322E+00
  26   -0.282492E-04    0.337503E+03  0.837007E-07 0.100000E-04    0.997522E+00
  27   -0.141676E-04    0.325304E+03  0.435519E-07 0.100000E-04    0.995775E+00
  28    0.762312E-05    0.321544E+03 -0.237078E-07 0.100000E-04    0.984604E+00
  29    0.343966E-05    0.319784E+03 -0.107562E-07 0.100000E-04    0.987719E+00
  30   -0.230514E-04    0.314168E+03  0.733729E-07 0.100000E-04    0.997299E+00
  31   -0.994812E-05    0.304533E+03  0.326668E-07 0.100000E-04    0.991038E+00
  32   -0.436931E-05    0.288118E+03  0.151650E-07 0.100000E-04    0.999387E+00
  33    0.961132E-05    0.279088E+03 -0.344383E-07 0.100000E-04    0.999286E+00
  34    0.698326E-05    0.270729E+03 -0.257943E-07 0.100000E-04    0.995509E+00
  35    0.227308E-04    0.266390E+03 -0.853291E-07 0.100000E-04    0.998274E+00
  36    0.126006E-04    0.263750E+03 -0.477746E-07 0.100000E-04    0.993946E+00
  37   -0.144379E-04    0.258875E+03  0.557719E-07 0.100000E-04    0.995476E+00
  38   -0.297325E-05    0.253791E+03  0.117154E-07 0.100000E-04    0.996718E+00
  39   -0.170239E-04    0.242523E+03  0.701950E-07 0.100000E-04    0.998428E+00
  40    0.219061E-05    0.237765E+03 -0.921331E-08 0.100000E-04    0.911768E+00
  41   -0.299058E-04    0.235642E+03  0.126912E-06 0.100000E-04    0.994484E+00
  42   -0.847973E-05    0.228669E+03  0.370830E-07 0.100000E-04    0.996141E+00
  43    0.953392E-05    0.221353E+03 -0.430710E-07 0.100000E-04    0.991148E+00
  44   -0.176860E-04    0.213320E+03  0.829084E-07 0.100000E-04    0.992886E+00
  45    0.149571E-05    0.211983E+03 -0.705583E-08 0.100000E-04    0.951491E+00
  46    0.179268E-04    0.207802E+03 -0.862686E-07 0.100000E-04    0.993979E+00
  47   -0.279271E-04    0.203425E+03  0.137284E-06 0.100000E-04    0.997614E+00
  48    0.291294E-05    0.197838E+03 -0.147239E-07 0.100000E-04    0.987294E+00
  49   -0.197850E-04    0.195437E+03  0.101235E-06 0.100000E-04    0.994335E+00
  50   -0.901084E-05    0.191584E+03  0.470333E-07 0.100000E-04    0.995860E+00
  51   -0.130027E-04    0.184867E+03  0.703351E-07 0.100000E-04    0.993091E+00
  52    0.161243E-05    0.175768E+03 -0.917364E-08 0.100000E-04    0.976049E+00
  53   -0.105764E-04    0.171502E+03  0.616689E-07 0.100000E-04    0.995174E+00
  54   -0.123191E-04    0.167598E+03  0.735041E-07 0.100000E-04    0.990553E+00
  55   -0.188101E-04    0.165369E+03  0.113746E-06 0.100000E-04    0.998464E+00
  56   -0.590477E-05    0.159562E+03  0.370061E-07 0.100000E-04    0.991564E+00
  57    0.679500E-05    0.153694E+03 -0.442113E-07 0.100000E-04    0.988976E+00
  58   -0.203068E-04    0.151065E+03  0.134424E-06 0.100000E-04    0.996487E+00
  59    0.261402E-05    0.149032E+03 -0.175399E-07 0.100000E-04    0.990679E+00
  60   -0.188302E-04    0.143128E+03  0.131562E-06 0.100000E-04    0.994089E+00
  61   -0.195858E-04    0.137005E+03  0.142957E-06 0.100000E-04    0.995118E+00
  62    0.308951E-04    0.135593E+03 -0.227852E-06 0.100000E-04    0.999367E+00
  63    0.220054E-04    0.130766E+03 -0.168281E-06 0.100000E-04    0.999585E+00
  64    0.172070E-04    0.127820E+03 -0.134619E-06 0.100000E-04    0.990261E+00
  65    0.496866E-05    0.126058E+03 -0.394156E-07 0.100000E-04    0.963356E+00
  66    0.253536E-04    0.125531E+03 -0.201970E-06 0.100000E-04    0.998620E+00
  67    0.439493E-05    0.119632E+03 -0.367372E-07 0.100000E-04    0.988018E+00
  68   -0.829618E-05    0.118015E+03  0.702978E-07 0.100000E-04    0.998100E+00
  69    0.398724E-05    0.116913E+03 -0.341042E-07 0.100000E-04    0.996617E+00
  70    0.209347E-04    0.111391E+03 -0.187938E-06 0.100000E-04    0.994420E+00
  71   -0.405120E-05    0.108433E+03  0.373613E-07 0.100000E-04    0.997254E+00
  72    0.449062E-04    0.104940E+03 -0.427924E-06 0.100000E-04    0.997113E+00
  73   -0.225785E-04    0.103029E+03  0.219148E-06 0.100000E-04    0.994925E+00
  74    0.297424E-04    0.998805E+02 -0.297780E-06 0.100000E-04    0.998232E+00
  75    0.515247E-04    0.963378E+02 -0.534834E-06 0.100000E-04    0.992589E+00
  76    0.264491E-04    0.950898E+02 -0.278149E-06 0.100000E-04    0.996065E+00
  77    0.616378E-04    0.921925E+02 -0.668577E-06 0.100000E-04    0.998259E+00
  78   -0.343400E-06    0.904004E+02  0.379866E-08 0.100000E-04    0.997319E+00
  79    0.169740E-04    0.897925E+02 -0.189036E-06 0.100000E-04    0.984023E+00
  80    0.192551E-04    0.848245E+02 -0.226999E-06 0.100000E-04    0.994472E+00
  81   -0.187293E-04    0.809157E+02  0.231467E-06 0.100000E-04    0.998384E+00
  82    0.585398E-05    0.796625E+02 -0.734848E-07 0.100000E-04    0.972450E+00
  83    0.143480E-04    0.783708E+02 -0.183078E-06 0.100000E-04    0.991210E+00
  84    0.312929E-04    0.727293E+02 -0.430265E-06 0.100000E-04    0.997414E+00
  85   -0.409884E-04    0.719487E+02  0.569689E-06 0.100000E-04    0.999269E+00
  86   -0.110024E-04    0.682998E+02  0.161090E-06 0.100000E-04    0.972471E+00
  87    0.388784E-04    0.672909E+02 -0.577766E-06 0.100000E-04    0.995463E+00
  88    0.136912E-05    0.633391E+02 -0.216157E-07 0.100000E-04    0.981157E+00
  89    0.489836E-04    0.607007E+02 -0.806969E-06 0.100000E-04    0.996776E+00
  90    0.244859E-04    0.596827E+02 -0.410269E-06 0.100000E-04    0.999539E+00
  91    0.796173E-07    0.590096E+02 -0.134923E-08 0.109000E-04    0.115123E+00
  92    0.572675E-04    0.559891E+02 -0.102283E-05 0.100000E-04    0.996406E+00
  93   -0.359480E-04    0.530052E+02  0.678198E-06 0.100000E-04    0.994803E+00
  94   -0.393248E-04    0.522423E+02  0.752738E-06 0.100000E-04    0.998886E+00
  95    0.295657E-04    0.501547E+02 -0.589490E-06 0.100000E-04    0.992499E+00
  96    0.105823E-04    0.477565E+02 -0.221589E-06 0.100000E-04    0.998019E+00
  97    0.371509E-04    0.429810E+02 -0.864356E-06 0.100000E-04    0.998904E+00
  98   -0.333594E-04    0.402439E+02  0.828929E-06 0.100000E-04    0.995153E+00
  99   -0.106820E-03    0.371771E+02  0.287326E-05 0.100000E-04    0.997939E+00
 100   -0.112556E-03    0.359309E+02  0.313255E-05 0.100000E-04    0.999001E+00
 101   -0.735448E-05    0.352863E+02  0.208423E-06 0.100000E-04    0.977095E+00
 102   -0.899033E-04    0.288458E+02  0.311668E-05 0.100000E-04    0.999145E+00
 103   -0.857849E-05    0.287149E+02  0.298747E-06 0.100000E-04    0.941738E+00
 104    0.642949E-04    0.279749E+02 -0.229830E-05 0.100000E-04    0.997967E+00
 105   -0.482481E-04    0.229194E+02  0.210512E-05 0.100000E-04    0.993707E+00
 106   -0.671104E-05    0.217095E+02  0.309129E-06 0.100000E-04    0.938023E+00
 107   -0.122388E-03    0.201210E+02  0.608260E-05 0.100000E-04    0.996928E+00
 108   -0.255441E-04    0.168252E+02  0.151821E-05 0.100000E-04    0.985280E+00
 109   -0.773584E-04    0.137727E+02  0.561678E-05 0.100000E-04    0.994821E+00
 110    0.276233E-02    0.122749E+02 -0.100000E-04 0.100000E-04    0.583892E+00
 111   -0.481513E-02    0.984327E+01  0.100000E-04 0.100000E-04    0.937917E+00
 112    0.243065E-02    0.940093E+01 -0.109000E-04 0.109000E-04    0.523910E-01
 113    0.163918E-01    0.742631E+01 -0.126188E-04 0.126188E-04    0.317656E+00
 114    0.553424E+00    0.448566E+01  0.400000E-03 0.400000E-03    0.388577E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1215533474    

 Beginning of optimization cycle  273.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3702283385
 potential> RMS force:                                               0.0520262248   |gradient|=.5554880737    
 Eigenvalues of the Hessian matrix:
   729.93164    673.04225    626.26244    604.45952    588.79963    569.07160 
   566.45631    481.55532    466.34790    461.71041    441.34133    430.11568 
   421.56362    407.48877    397.67125    388.84514    367.54305    362.25044 
   351.25436    337.47554    325.31386    321.54291    319.79501    314.13970 
   304.52464    288.12558    279.08238    270.72707    266.39806    263.75920 
   258.88543    253.79307    242.51848    237.76846    235.63667    228.66709 
   221.33321    213.32753    211.98789    207.79262    203.42816    197.83280 
   195.43448    191.58353    184.85679    175.75564    171.50855    167.59567 
   165.36463    159.55310    153.69752    151.06821    149.02774    143.13061 
   137.00598    135.59767    130.76417    127.82359    126.05805    125.53408 
   119.63358    118.01570    116.91551    111.38446    108.42280    104.93654 
   103.03024     99.87824     96.32922     95.08803     92.20492     90.39870 
    89.79559     84.82724     80.91580     79.66522     78.36930     72.72956 
    71.95300     68.29951     67.27917     63.33772     60.69074     59.68350 
    59.01116     55.99025     53.00109     52.24292     50.15327     47.75363 
    42.97862     40.24635     37.18086     35.93590     35.27553     28.84519 
    28.71405     27.96663     22.91966     21.70487     20.12586     16.82520 
    13.77291     12.27422      9.84270      9.39287      7.42275      4.48174 
overlap for current and previous eigenvector    109 is         0.9999994811
overlap for current and previous eigenvector    110 is         0.9999993704
overlap for current and previous eigenvector    111 is         0.9999393547
overlap for current and previous eigenvector    112 is         0.9999352911
overlap for current and previous eigenvector    113 is         0.9999954325
overlap for current and previous eigenvector    114 is         0.9999996779
J1,K1,R1,R2,RAT=   7   7   -0.1021091281E-01     2.010042333        0.9897890872    
FOB,PFOB,DIAG,PSTEP=   -0.2679080813E-05   -0.2651999198E-05     729.9316421        0.3633522101E-08
J1,K1,R1,R2,RAT=   8   8   -0.2105872765E-03     2.000178794        0.9997894127    
FOB,PFOB,DIAG,PSTEP=   -0.3624480851E-05   -0.3623717730E-05     673.0422456        0.5384172181E-08
J1,K1,R1,R2,RAT=   9   9    0.5118420933E-01     1.948773930        0.9487739302    
FOB,PFOB,DIAG,PSTEP=    0.3369605744E-06    0.3551384349E-06     626.2624361       -0.5670879294E-09
J1,K1,R1,R2,RAT=  10  10   -0.1217181719E-01     2.012181898        0.9878281828    
FOB,PFOB,DIAG,PSTEP=    0.1783289463E-05    0.1761844719E-05     604.4595231       -0.2914729228E-08
J1,K1,R1,R2,RAT=  11  11    0.1937953708E-02     1.998092046        0.9980620463    
FOB,PFOB,DIAG,PSTEP=   -0.1201031879E-05   -0.1203363908E-05     588.7996345        0.2043727250E-08
J1,K1,R1,R2,RAT= 109 109   -0.2959248230E-02     2.002933001        0.9970407518    
FOB,PFOB,DIAG,PSTEP=   -0.7758730996E-04   -0.7735838429E-04     13.77291427        0.5616777830E-05
J1,K1,R1,R2,RAT= 110 110   -0.4243322718         45.43462549        0.5756677282    
FOB,PFOB,DIAG,PSTEP=    0.2814414078E-02    0.2762330612E-02     12.27421736       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.6760225644E-01     97.77405518        0.9323977436    
FOB,PFOB,DIAG,PSTEP=   -0.4808474646E-02   -0.4815128531E-02     9.842696162        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7785568934         48.26036132        0.2214431066    
FOB,PFOB,DIAG,PSTEP=    0.2510357740E-02    0.2430647323E-02     9.392868275       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8726518728         350.8760100        0.1273481272    
FOB,PFOB,DIAG,PSTEP=    0.1647350663E-01    0.1639176851E-01     7.422753993       -0.1261881372E-04
J1,K1,R1,R2,RAT= 114 114    0.9960845751        -618.4168184        0.3915424902E-02
FOB,PFOB,DIAG,PSTEP=    0.5552100307        0.5534243522         4.481744149        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000     -0.00002 
    -0.00002      0.00003      0.00002      0.00002      0.00001      0.00003 
     0.00000      0.00001     -0.00000      0.00002     -0.00000      0.00005 
    -0.00002      0.00003      0.00005      0.00003      0.00006     -0.00000 
     0.00002      0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004     -0.00001      0.00004      0.00000      0.00005      0.00002 
     0.00000      0.00006     -0.00004     -0.00004      0.00003      0.00001 
     0.00004     -0.00003     -0.00011      0.00011      0.00001     -0.00009 
    -0.00001      0.00007     -0.00005      0.00001      0.00012     -0.00002 
    -0.00008      0.00281     -0.00481      0.00251      0.01647      0.55521 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4330426587
 Log product of positive Hessian eigenvalues =          520.0155525095
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4817441486
 Unscaled step for mode    7=        0.0000000037
 Unscaled step for mode    8=        0.0000000054
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000020
 Unscaled step for mode   12=       -0.0000000001
 Unscaled step for mode   13=        0.0000000055
 Unscaled step for mode   14=        0.0000000076
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000102
 Unscaled step for mode   17=       -0.0000000084
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000328
 Unscaled step for mode   20=       -0.0000000209
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000128
 Unscaled step for mode   23=        0.0000000006
 Unscaled step for mode   24=        0.0000000004
 Unscaled step for mode   25=        0.0000000484
 Unscaled step for mode   26=        0.0000000840
 Unscaled step for mode   27=        0.0000000437
 Unscaled step for mode   28=       -0.0000000241
 Unscaled step for mode   29=       -0.0000000110
 Unscaled step for mode   30=        0.0000000735
 Unscaled step for mode   31=        0.0000000328
 Unscaled step for mode   32=        0.0000000153
 Unscaled step for mode   33=       -0.0000000347
 Unscaled step for mode   34=       -0.0000000261
 Unscaled step for mode   35=       -0.0000000854
 Unscaled step for mode   36=       -0.0000000481
 Unscaled step for mode   37=        0.0000000560
 Unscaled step for mode   38=        0.0000000116
 Unscaled step for mode   39=        0.0000000704
 Unscaled step for mode   40=       -0.0000000082
 Unscaled step for mode   41=        0.0000001277
 Unscaled step for mode   42=        0.0000000373
 Unscaled step for mode   43=       -0.0000000433
 Unscaled step for mode   44=        0.0000000833
 Unscaled step for mode   45=       -0.0000000072
 Unscaled step for mode   46=       -0.0000000867
 Unscaled step for mode   47=        0.0000001375
 Unscaled step for mode   48=       -0.0000000148
 Unscaled step for mode   49=        0.0000001015
 Unscaled step for mode   50=        0.0000000474
 Unscaled step for mode   51=        0.0000000704
 Unscaled step for mode   52=       -0.0000000092
 Unscaled step for mode   53=        0.0000000618
 Unscaled step for mode   54=        0.0000000738
 Unscaled step for mode   55=        0.0000001139
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=       -0.0000000444
 Unscaled step for mode   58=        0.0000001349
 Unscaled step for mode   59=       -0.0000000168
 Unscaled step for mode   60=        0.0000001316
 Unscaled step for mode   61=        0.0000001441
 Unscaled step for mode   62=       -0.0000002282
 Unscaled step for mode   63=       -0.0000001689
 Unscaled step for mode   64=       -0.0000001355
 Unscaled step for mode   65=       -0.0000000408
 Unscaled step for mode   66=       -0.0000002024
 Unscaled step for mode   67=       -0.0000000369
 Unscaled step for mode   68=       -0.0000000705
 Unscaled step for mode   69=        0.0000000345
 Unscaled step for mode   70=       -0.0000001884
 Unscaled step for mode   71=        0.0000000377
 Unscaled step for mode   72=       -0.0000004307
 Unscaled step for mode   73=        0.0000002199
 Unscaled step for mode   74=       -0.0000002984
 Unscaled step for mode   75=       -0.0000005384
 Unscaled step for mode   76=       -0.0000002763
 Unscaled step for mode   77=       -0.0000006683
 Unscaled step for mode   78=        0.0000000047
 Unscaled step for mode   79=       -0.0000001882
 Unscaled step for mode   80=       -0.0000002271
 Unscaled step for mode   81=        0.0000002324
 Unscaled step for mode   82=       -0.0000000725
 Unscaled step for mode   83=       -0.0000001823
 Unscaled step for mode   84=       -0.0000004331
 Unscaled step for mode   85=        0.0000005720
 Unscaled step for mode   86=        0.0000001572
 Unscaled step for mode   87=       -0.0000005791
 Unscaled step for mode   88=       -0.0000000226
 Unscaled step for mode   89=       -0.0000008089
 Unscaled step for mode   90=       -0.0000004142
 Unscaled step for mode   91=       -0.0000000022
 Unscaled step for mode   92=       -0.0000010229
 Unscaled step for mode   93=        0.0000006787
 Unscaled step for mode   94=        0.0000007572
 Unscaled step for mode   95=       -0.0000005904
 Unscaled step for mode   96=       -0.0000002198
 Unscaled step for mode   97=       -0.0000008687
 Unscaled step for mode   98=        0.0000008331
 Unscaled step for mode   99=        0.0000028882
 Unscaled step for mode  100=       -0.0000031248
 Unscaled step for mode  101=       -0.0000002197
 Unscaled step for mode  102=        0.0000031309
 Unscaled step for mode  103=        0.0000002828
 Unscaled step for mode  104=       -0.0000023275
 Unscaled step for mode  105=        0.0000021066
 Unscaled step for mode  106=       -0.0000003434
 Unscaled step for mode  107=       -0.0000060546
 Unscaled step for mode  108=        0.0000014846
 Unscaled step for mode  109=        0.0000056333
 Unscaled step for mode  110=       -0.0002292948
 Unscaled step for mode  111=        0.0004885321
 Unscaled step for mode  112=       -0.0002672621
 Unscaled step for mode  113=       -0.0022193145
 Unscaled step for mode  114=        0.1220375763
 Largest modulus ratio of non-zero e/values=           162.8677626    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.795804E-16    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.601949E-15    0.100726E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.807205E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.210769E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.543836E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.962419E-15    0.973803E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.267908E-05    0.729932E+03  0.367032E-08 0.100000E-04    0.989789E+00
   8   -0.362448E-05    0.673042E+03  0.538522E-08 0.100000E-04    0.999789E+00
   9    0.336961E-06    0.626262E+03 -0.538050E-09 0.100000E-04    0.948774E+00
  10    0.178329E-05    0.604460E+03 -0.295022E-08 0.100000E-04    0.987828E+00
  11   -0.120103E-05    0.588800E+03  0.203980E-08 0.100000E-04    0.998062E+00
  12    0.731639E-07    0.569072E+03 -0.128567E-09 0.100000E-04    0.682879E+00
  13   -0.314280E-05    0.566456E+03  0.554817E-08 0.100000E-04    0.994955E+00
  14   -0.363807E-05    0.481555E+03  0.755483E-08 0.100000E-04    0.993985E+00
  15    0.176624E-05    0.466348E+03 -0.378738E-08 0.100000E-04    0.987848E+00
  16    0.470334E-05    0.461710E+03 -0.101868E-07 0.100000E-04    0.993221E+00
  17    0.372548E-05    0.441341E+03 -0.844126E-08 0.100000E-04    0.993857E+00
  18    0.476260E-05    0.430116E+03 -0.110728E-07 0.100000E-04    0.996923E+00
  19   -0.138278E-04    0.421564E+03  0.328011E-07 0.100000E-04    0.996307E+00
  20    0.850569E-05    0.407489E+03 -0.208734E-07 0.100000E-04    0.999076E+00
  21    0.727796E-05    0.397671E+03 -0.183015E-07 0.100000E-04    0.999029E+00
  22   -0.497677E-05    0.388845E+03  0.127989E-07 0.100000E-04    0.988212E+00
  23   -0.214053E-06    0.367543E+03  0.582388E-09 0.100000E-04    0.953812E+00
  24   -0.162266E-06    0.362250E+03  0.447938E-09 0.100000E-04    0.684205E+00
  25   -0.169890E-04    0.351254E+03  0.483666E-07 0.100000E-04    0.997432E+00
  26   -0.283507E-04    0.337476E+03  0.840080E-07 0.100000E-04    0.996408E+00
  27   -0.142018E-04    0.325314E+03  0.436557E-07 0.100000E-04    0.997589E+00
  28    0.774214E-05    0.321543E+03 -0.240781E-07 0.100000E-04    0.984386E+00
  29    0.352906E-05    0.319795E+03 -0.110354E-07 0.100000E-04    0.974008E+00
  30   -0.230768E-04    0.314140E+03  0.734602E-07 0.100000E-04    0.998900E+00
  31   -0.999782E-05    0.304525E+03  0.328309E-07 0.100000E-04    0.995003E+00
  32   -0.442269E-05    0.288126E+03  0.153499E-07 0.100000E-04    0.987783E+00
  33    0.967802E-05    0.279082E+03 -0.346780E-07 0.100000E-04    0.993060E+00
  34    0.705402E-05    0.270727E+03 -0.260558E-07 0.100000E-04    0.989867E+00
  35    0.227458E-04    0.266398E+03 -0.853828E-07 0.100000E-04    0.999341E+00
  36    0.126951E-04    0.263759E+03 -0.481314E-07 0.100000E-04    0.992497E+00
  37   -0.144994E-04    0.258885E+03  0.560072E-07 0.100000E-04    0.995740E+00
  38   -0.293790E-05    0.253793E+03  0.115760E-07 0.100000E-04    0.988092E+00
  39   -0.170743E-04    0.242518E+03  0.704042E-07 0.100000E-04    0.997042E+00
  40    0.193939E-05    0.237768E+03 -0.815665E-08 0.100000E-04    0.885298E+00
  41   -0.301011E-04    0.235637E+03  0.127744E-06 0.100000E-04    0.993469E+00
  42   -0.853764E-05    0.228667E+03  0.373366E-07 0.100000E-04    0.993170E+00
  43    0.958483E-05    0.221333E+03 -0.433050E-07 0.100000E-04    0.994660E+00
  44   -0.177800E-04    0.213328E+03  0.833460E-07 0.100000E-04    0.994686E+00
  45    0.153258E-05    0.211988E+03 -0.722958E-08 0.100000E-04    0.975351E+00
  46    0.180120E-04    0.207793E+03 -0.866824E-07 0.100000E-04    0.995250E+00
  47   -0.279681E-04    0.203428E+03  0.137484E-06 0.100000E-04    0.998532E+00
  48    0.293665E-05    0.197833E+03 -0.148441E-07 0.100000E-04    0.991860E+00
  49   -0.198344E-04    0.195434E+03  0.101489E-06 0.100000E-04    0.997503E+00
  50   -0.908666E-05    0.191584E+03  0.474292E-07 0.100000E-04    0.991586E+00
  51   -0.130175E-04    0.184857E+03  0.704191E-07 0.100000E-04    0.998861E+00
  52    0.162270E-05    0.175756E+03 -0.923273E-08 0.100000E-04    0.993631E+00
  53   -0.106024E-04    0.171509E+03  0.618182E-07 0.100000E-04    0.997542E+00
  54   -0.123683E-04    0.167596E+03  0.737984E-07 0.100000E-04    0.996009E+00
  55   -0.188366E-04    0.165365E+03  0.113910E-06 0.100000E-04    0.998589E+00
  56   -0.595620E-05    0.159553E+03  0.373305E-07 0.100000E-04    0.991289E+00
  57    0.682809E-05    0.153698E+03 -0.444255E-07 0.100000E-04    0.995130E+00
  58   -0.203806E-04    0.151068E+03  0.134910E-06 0.100000E-04    0.996363E+00
  59    0.250608E-05    0.149028E+03 -0.168162E-07 0.100000E-04    0.958706E+00
  60   -0.188430E-04    0.143131E+03  0.131649E-06 0.100000E-04    0.999319E+00
  61   -0.197413E-04    0.137006E+03  0.144091E-06 0.100000E-04    0.992060E+00
  62    0.309381E-04    0.135598E+03 -0.228161E-06 0.100000E-04    0.998611E+00
  63    0.220907E-04    0.130764E+03 -0.168936E-06 0.100000E-04    0.996122E+00
  64    0.173230E-04    0.127824E+03 -0.135523E-06 0.100000E-04    0.993260E+00
  65    0.514424E-05    0.126058E+03 -0.408085E-07 0.100000E-04    0.964664E+00
  66    0.254135E-04    0.125534E+03 -0.202443E-06 0.100000E-04    0.997637E+00
  67    0.441311E-05    0.119634E+03 -0.368885E-07 0.100000E-04    0.995864E+00
  68    0.831996E-05    0.118016E+03 -0.704988E-07 0.100000E-04    0.997134E+00
  69   -0.403613E-05    0.116916E+03  0.345217E-07 0.100000E-04    0.987739E+00
  70    0.209800E-04    0.111384E+03 -0.188356E-06 0.100000E-04    0.997836E+00
  71   -0.409118E-05    0.108423E+03  0.377336E-07 0.100000E-04    0.990128E+00
  72    0.451975E-04    0.104937E+03 -0.430712E-06 0.100000E-04    0.993515E+00
  73   -0.226577E-04    0.103030E+03  0.219913E-06 0.100000E-04    0.996493E+00
  74    0.298012E-04    0.998782E+02 -0.298375E-06 0.100000E-04    0.998025E+00
  75    0.518602E-04    0.963292E+02 -0.538365E-06 0.100000E-04    0.993487E+00
  76    0.262743E-04    0.950880E+02 -0.276315E-06 0.100000E-04    0.993388E+00
  77    0.616183E-04    0.922049E+02 -0.668276E-06 0.100000E-04    0.999415E+00
  78   -0.425506E-06    0.903987E+02  0.470699E-08 0.100000E-04    0.760901E+00
  79    0.169038E-04    0.897956E+02 -0.188247E-06 0.100000E-04    0.995795E+00
  80    0.192647E-04    0.848272E+02 -0.227105E-06 0.100000E-04    0.999501E+00
  81   -0.188051E-04    0.809158E+02  0.232403E-06 0.100000E-04    0.995953E+00
  82    0.577845E-05    0.796652E+02 -0.725341E-07 0.100000E-04    0.987029E+00
  83    0.142891E-04    0.783693E+02 -0.182330E-06 0.100000E-04    0.995896E+00
  84    0.314959E-04    0.727296E+02 -0.433055E-06 0.100000E-04    0.993513E+00
  85   -0.411555E-04    0.719530E+02  0.571977E-06 0.100000E-04    0.995925E+00
  86   -0.107343E-04    0.682995E+02  0.157165E-06 0.100000E-04    0.975629E+00
  87    0.389621E-04    0.672792E+02 -0.579110E-06 0.100000E-04    0.997847E+00
  88    0.143203E-05    0.633377E+02 -0.226094E-07 0.100000E-04    0.954052E+00
  89    0.490944E-04    0.606907E+02 -0.808927E-06 0.100000E-04    0.997737E+00
  90    0.247225E-04    0.596835E+02 -0.414227E-06 0.100000E-04    0.990338E+00
  91    0.127089E-06    0.590112E+02 -0.215364E-08 0.100000E-04    0.403769E+00
  92    0.572752E-04    0.559903E+02 -0.102295E-05 0.100000E-04    0.999866E+00
  93   -0.359717E-04    0.530011E+02  0.678697E-06 0.100000E-04    0.999342E+00
  94   -0.395609E-04    0.522429E+02  0.757248E-06 0.100000E-04    0.993997E+00
  95    0.296107E-04    0.501533E+02 -0.590403E-06 0.100000E-04    0.998480E+00
  96    0.104955E-04    0.477536E+02 -0.219784E-06 0.100000E-04    0.991793E+00
  97    0.373366E-04    0.429786E+02 -0.868725E-06 0.100000E-04    0.995001E+00
  98   -0.335306E-04    0.402464E+02  0.833135E-06 0.100000E-04    0.994866E+00
  99   -0.107386E-03    0.371809E+02  0.288820E-05 0.100000E-04    0.994701E+00
 100    0.112293E-03    0.359359E+02 -0.312481E-05 0.100000E-04    0.997392E+00
 101    0.774969E-05    0.352755E+02 -0.219690E-06 0.100000E-04    0.946246E+00
 102   -0.903113E-04    0.288452E+02  0.313090E-05 0.100000E-04    0.995461E+00
 103   -0.811906E-05    0.287140E+02  0.282756E-06 0.100000E-04    0.946442E+00
 104    0.650930E-04    0.279666E+02 -0.232752E-05 0.100000E-04    0.987583E+00
 105   -0.482829E-04    0.229197E+02  0.210661E-05 0.100000E-04    0.999278E+00
 106    0.745390E-05    0.217049E+02 -0.343420E-06 0.100000E-04    0.889285E+00
 107    0.121854E-03    0.201259E+02 -0.605458E-05 0.100000E-04    0.995153E+00
 108   -0.249785E-04    0.168252E+02  0.148459E-05 0.100000E-04    0.977857E+00
 109   -0.775873E-04    0.137729E+02  0.563333E-05 0.100000E-04    0.997041E+00
 110    0.281441E-02    0.122742E+02 -0.100000E-04 0.100000E-04    0.575668E+00
 111   -0.480847E-02    0.984270E+01  0.100000E-04 0.100000E-04    0.932398E+00
 112    0.251036E-02    0.939287E+01 -0.100000E-04 0.100000E-04    0.221443E+00
 113    0.164735E-01    0.742275E+01 -0.137545E-04 0.137545E-04    0.127348E+00
 114    0.555210E+00    0.448174E+01  0.400000E-03 0.400000E-03    0.391542E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1220375763    

 Beginning of optimization cycle  274.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3700062232
 potential> RMS force:                                               0.0521934954   |gradient|=.5572740345    
 Eigenvalues of the Hessian matrix:
   729.99319    673.05275    626.27544    604.45660    588.79064    569.11358 
   566.46695    481.57885    466.32461    461.70257    441.34178    430.10759 
   421.56906    407.49791    397.66641    388.84559    367.54867    362.24119 
   351.24687    337.44864    325.32331    321.54141    319.80593    314.11164 
   304.51609    288.13290    279.07694    270.72570    266.40608    263.76845 
   258.89642    253.79562    242.51360    237.77193    235.63122    228.66542 
   221.31292    213.33514    211.99293    207.78304    203.43099    197.82792 
   195.43223    191.58288    184.84653    175.74308    171.51468    167.59369 
   165.36000    159.54422    153.70161    151.07179    149.02307    143.13316 
   137.00720    135.60232    130.76243    127.82698    126.05792    125.53700 
   119.63544    118.01662    116.91762    111.37786    108.41253    104.93329 
   103.03162     99.87601     96.32066     95.08621     92.21737     90.39716 
    89.79844     84.82998     80.91591     79.66798     78.36781     72.72984 
    71.95729     68.29915     67.26739     63.33634     60.68070     59.68432 
    59.01267     55.99132     52.99696     52.24354     50.15183     47.75068 
    42.97625     40.24876     37.18460     35.94074     35.26468     28.84453 
    28.71321     27.95831     22.92004     21.70021     20.13066     16.82522 
    13.77310     12.27356      9.84223      9.38469      7.41914      4.47781 
overlap for current and previous eigenvector    109 is         0.9999994810
overlap for current and previous eigenvector    110 is         0.9999993728
overlap for current and previous eigenvector    111 is         0.9999429702
overlap for current and previous eigenvector    112 is         0.9999388066
overlap for current and previous eigenvector    113 is         0.9999953654
overlap for current and previous eigenvector    114 is         0.9999996802
J1,K1,R1,R2,RAT=   7   7   -0.8912960439E-02     2.008744327        0.9910870396    
FOB,PFOB,DIAG,PSTEP=   -0.2702961368E-05   -0.2679080813E-05     729.9931927        0.3670317409E-08
J1,K1,R1,R2,RAT=   8   8   -0.9561150002E-02     2.009529931        0.9904388500    
FOB,PFOB,DIAG,PSTEP=   -0.3659135597E-05   -0.3624480851E-05     673.0527518        0.5385220429E-08
J1,K1,R1,R2,RAT=   9   9   -0.1691222457E-01     2.016870707        0.9830877754    
FOB,PFOB,DIAG,PSTEP=    0.3426594456E-06    0.3369605744E-06     626.2754367       -0.5380501129E-09
J1,K1,R1,R2,RAT=  10  10    0.6770662225E-02     1.993239026        0.9932293378    
FOB,PFOB,DIAG,PSTEP=    0.1771215470E-05    0.1783289463E-05     604.4565951       -0.2950221470E-08
J1,K1,R1,R2,RAT=  11  11   -0.9576168620E-02     2.009606713        0.9904238314    
FOB,PFOB,DIAG,PSTEP=   -0.1212532988E-05   -0.1201031879E-05     588.7906424        0.2039797257E-08
J1,K1,R1,R2,RAT= 109 109    0.5232402280E-02     1.994741119        0.9947411191    
FOB,PFOB,DIAG,PSTEP=   -0.7718133657E-04   -0.7758730996E-04     13.77309662        0.5633325557E-05
J1,K1,R1,R2,RAT= 110 110   -0.4242104276         46.28563460        0.5757895724    
FOB,PFOB,DIAG,PSTEP=    0.2866479787E-02    0.2814414078E-02     12.27355726       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.8892613468E-01     97.62213466        0.9110738653    
FOB,PFOB,DIAG,PSTEP=   -0.4799722329E-02   -0.4808474646E-02     9.842231999        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9290077142         54.42798124        0.7099228584E-01
FOB,PFOB,DIAG,PSTEP=    0.2597542280E-02    0.2510357740E-02     9.384694975       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7126426728         323.5749907        0.2873573272    
FOB,PFOB,DIAG,PSTEP=    0.1654622941E-01    0.1647350663E-01     7.419140958       -0.1375450696E-04
J1,K1,R1,R2,RAT= 114 114    0.9960829345        -620.9536543        0.3917065480E-02
FOB,PFOB,DIAG,PSTEP=    0.5569941374        0.5552100307         4.477806679        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00000     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002      0.00002      0.00001      0.00003 
    -0.00000     -0.00001      0.00000     -0.00002      0.00000     -0.00005 
     0.00002      0.00003     -0.00005     -0.00003      0.00006     -0.00000 
     0.00002     -0.00002      0.00002      0.00001      0.00001     -0.00003 
     0.00004      0.00001      0.00004      0.00000      0.00005      0.00002 
     0.00000      0.00006     -0.00004     -0.00004     -0.00003     -0.00001 
     0.00004      0.00003      0.00011     -0.00011      0.00001     -0.00009 
    -0.00001      0.00006      0.00005      0.00001      0.00012     -0.00002 
    -0.00008      0.00287     -0.00480      0.00260      0.01655      0.55699 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4329403183
 Log product of positive Hessian eigenvalues =          520.0123071550
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4778066787
 Unscaled step for mode    7=        0.0000000037
 Unscaled step for mode    8=        0.0000000054
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=       -0.0000000001
 Unscaled step for mode   13=        0.0000000056
 Unscaled step for mode   14=        0.0000000075
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000102
 Unscaled step for mode   17=       -0.0000000085
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000329
 Unscaled step for mode   20=       -0.0000000208
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000128
 Unscaled step for mode   23=        0.0000000006
 Unscaled step for mode   24=        0.0000000005
 Unscaled step for mode   25=        0.0000000485
 Unscaled step for mode   26=        0.0000000842
 Unscaled step for mode   27=        0.0000000438
 Unscaled step for mode   28=       -0.0000000244
 Unscaled step for mode   29=       -0.0000000112
 Unscaled step for mode   30=        0.0000000737
 Unscaled step for mode   31=        0.0000000331
 Unscaled step for mode   32=        0.0000000154
 Unscaled step for mode   33=       -0.0000000347
 Unscaled step for mode   34=       -0.0000000262
 Unscaled step for mode   35=       -0.0000000855
 Unscaled step for mode   36=       -0.0000000484
 Unscaled step for mode   37=        0.0000000563
 Unscaled step for mode   38=        0.0000000115
 Unscaled step for mode   39=        0.0000000705
 Unscaled step for mode   40=       -0.0000000073
 Unscaled step for mode   41=        0.0000001284
 Unscaled step for mode   42=        0.0000000375
 Unscaled step for mode   43=       -0.0000000437
 Unscaled step for mode   44=        0.0000000839
 Unscaled step for mode   45=       -0.0000000069
 Unscaled step for mode   46=       -0.0000000872
 Unscaled step for mode   47=        0.0000001378
 Unscaled step for mode   48=       -0.0000000150
 Unscaled step for mode   49=        0.0000001021
 Unscaled step for mode   50=        0.0000000472
 Unscaled step for mode   51=        0.0000000709
 Unscaled step for mode   52=       -0.0000000094
 Unscaled step for mode   53=        0.0000000621
 Unscaled step for mode   54=        0.0000000745
 Unscaled step for mode   55=        0.0000001141
 Unscaled step for mode   56=        0.0000000370
 Unscaled step for mode   57=        0.0000000449
 Unscaled step for mode   58=       -0.0000001354
 Unscaled step for mode   59=        0.0000000166
 Unscaled step for mode   60=        0.0000001324
 Unscaled step for mode   61=       -0.0000001448
 Unscaled step for mode   62=       -0.0000002280
 Unscaled step for mode   63=       -0.0000001689
 Unscaled step for mode   64=       -0.0000001368
 Unscaled step for mode   65=       -0.0000000423
 Unscaled step for mode   66=       -0.0000002021
 Unscaled step for mode   67=        0.0000000373
 Unscaled step for mode   68=        0.0000000706
 Unscaled step for mode   69=       -0.0000000346
 Unscaled step for mode   70=        0.0000001894
 Unscaled step for mode   71=       -0.0000000378
 Unscaled step for mode   72=        0.0000004320
 Unscaled step for mode   73=       -0.0000002210
 Unscaled step for mode   74=       -0.0000002978
 Unscaled step for mode   75=        0.0000005424
 Unscaled step for mode   76=        0.0000002751
 Unscaled step for mode   77=       -0.0000006693
 Unscaled step for mode   78=        0.0000000046
 Unscaled step for mode   79=       -0.0000001852
 Unscaled step for mode   80=        0.0000002283
 Unscaled step for mode   81=       -0.0000002328
 Unscaled step for mode   82=       -0.0000000705
 Unscaled step for mode   83=       -0.0000001839
 Unscaled step for mode   84=        0.0000004342
 Unscaled step for mode   85=       -0.0000005723
 Unscaled step for mode   86=       -0.0000001527
 Unscaled step for mode   87=       -0.0000005817
 Unscaled step for mode   88=       -0.0000000230
 Unscaled step for mode   89=       -0.0000008116
 Unscaled step for mode   90=       -0.0000004145
 Unscaled step for mode   91=       -0.0000000028
 Unscaled step for mode   92=       -0.0000010265
 Unscaled step for mode   93=        0.0000006752
 Unscaled step for mode   94=        0.0000007581
 Unscaled step for mode   95=        0.0000005859
 Unscaled step for mode   96=        0.0000002202
 Unscaled step for mode   97=       -0.0000008697
 Unscaled step for mode   98=       -0.0000008371
 Unscaled step for mode   99=       -0.0000028937
 Unscaled step for mode  100=        0.0000031220
 Unscaled step for mode  101=       -0.0000002244
 Unscaled step for mode  102=        0.0000031335
 Unscaled step for mode  103=        0.0000002643
 Unscaled step for mode  104=       -0.0000023237
 Unscaled step for mode  105=       -0.0000021199
 Unscaled step for mode  106=       -0.0000003235
 Unscaled step for mode  107=       -0.0000060716
 Unscaled step for mode  108=        0.0000014615
 Unscaled step for mode  109=        0.0000056038
 Unscaled step for mode  110=       -0.0002335492
 Unscaled step for mode  111=        0.0004876659
 Unscaled step for mode  112=       -0.0002767849
 Unscaled step for mode  113=       -0.0022301972
 Unscaled step for mode  114=        0.1225226310
 Largest modulus ratio of non-zero e/values=           163.0247228    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.206215E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.463822E-15    0.100726E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.262616E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.134051E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.341417E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.447098E-15    0.973804E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.270296E-05    0.729993E+03  0.370272E-08 0.100000E-04    0.991087E+00
   8   -0.365914E-05    0.673053E+03  0.543663E-08 0.100000E-04    0.990439E+00
   9    0.342659E-06    0.626275E+03 -0.547139E-09 0.100000E-04    0.983088E+00
  10    0.177122E-05    0.604457E+03 -0.293026E-08 0.100000E-04    0.993229E+00
  11   -0.121253E-05    0.588791E+03  0.205936E-08 0.100000E-04    0.990424E+00
  12    0.355682E-07    0.569114E+03 -0.624976E-10 0.100000E-04    0.486035E+00
  13   -0.317772E-05    0.566467E+03  0.560973E-08 0.100000E-04    0.988887E+00
  14   -0.359981E-05    0.481579E+03  0.747502E-08 0.100000E-04    0.989386E+00
  15    0.178702E-05    0.466325E+03 -0.383213E-08 0.100000E-04    0.988234E+00
  16    0.472060E-05    0.461703E+03 -0.102243E-07 0.100000E-04    0.996331E+00
  17    0.373773E-05    0.441342E+03 -0.846902E-08 0.100000E-04    0.996711E+00
  18    0.479245E-05    0.430108E+03 -0.111424E-07 0.100000E-04    0.993732E+00
  19   -0.138647E-04    0.421569E+03  0.328884E-07 0.100000E-04    0.997326E+00
  20    0.849628E-05    0.407498E+03 -0.208499E-07 0.100000E-04    0.998849E+00
  21    0.727914E-05    0.397666E+03 -0.183046E-07 0.100000E-04    0.999838E+00
  22   -0.499546E-05    0.388846E+03  0.128469E-07 0.100000E-04    0.996246E+00
  23   -0.204923E-06    0.367549E+03  0.557541E-09 0.100000E-04    0.957320E+00
  24   -0.166491E-06    0.362241E+03  0.459613E-09 0.100000E-04    0.973962E+00
  25   -0.170512E-04    0.351247E+03  0.485448E-07 0.100000E-04    0.996337E+00
  26   -0.284203E-04    0.337449E+03  0.842211E-07 0.100000E-04    0.997544E+00
  27   -0.142608E-04    0.325323E+03  0.438359E-07 0.100000E-04    0.995843E+00
  28    0.785772E-05    0.321541E+03 -0.244377E-07 0.100000E-04    0.985072E+00
  29    0.357259E-05    0.319806E+03 -0.111711E-07 0.100000E-04    0.987667E+00
  30   -0.231371E-04    0.314112E+03  0.736590E-07 0.100000E-04    0.997383E+00
  31   -0.100867E-04    0.304516E+03  0.331236E-07 0.100000E-04    0.991112E+00
  32   -0.442571E-05    0.288133E+03  0.153600E-07 0.100000E-04    0.999316E+00
  33    0.968528E-05    0.279077E+03 -0.347047E-07 0.100000E-04    0.999250E+00
  34    0.708567E-05    0.270726E+03 -0.261729E-07 0.100000E-04    0.995513E+00
  35    0.227838E-04    0.266406E+03 -0.855229E-07 0.100000E-04    0.998329E+00
  36    0.127701E-04    0.263768E+03 -0.484142E-07 0.100000E-04    0.994089E+00
  37   -0.145645E-04    0.258896E+03  0.562562E-07 0.100000E-04    0.995512E+00
  38   -0.292701E-05    0.253796E+03  0.115330E-07 0.100000E-04    0.996273E+00
  39   -0.171015E-04    0.242514E+03  0.705176E-07 0.100000E-04    0.998409E+00
  40    0.172601E-05    0.237772E+03 -0.725911E-08 0.100000E-04    0.889947E+00
  41   -0.302613E-04    0.235631E+03  0.128427E-06 0.100000E-04    0.994676E+00
  42   -0.857046E-05    0.228665E+03  0.374803E-07 0.100000E-04    0.996156E+00
  43    0.966914E-05    0.221313E+03 -0.436899E-07 0.100000E-04    0.991203E+00
  44   -0.179040E-04    0.213335E+03  0.839244E-07 0.100000E-04    0.993025E+00
  45    0.145798E-05    0.211993E+03 -0.687747E-08 0.100000E-04    0.951272E+00
  46    0.181191E-04    0.207783E+03 -0.872020E-07 0.100000E-04    0.994051E+00
  47   -0.280321E-04    0.203431E+03  0.137797E-06 0.100000E-04    0.997711E+00
  48    0.297370E-05    0.197828E+03 -0.150318E-07 0.100000E-04    0.987381E+00
  49   -0.199451E-04    0.195432E+03  0.102056E-06 0.100000E-04    0.994417E+00
  50   -0.904961E-05    0.191583E+03  0.472360E-07 0.100000E-04    0.995923E+00
  51   -0.131063E-04    0.184847E+03  0.709035E-07 0.100000E-04    0.993178E+00
  52    0.166031E-05    0.175743E+03 -0.944736E-08 0.100000E-04    0.976824E+00
  53   -0.106533E-04    0.171515E+03  0.621128E-07 0.100000E-04    0.995199E+00
  54   -0.124833E-04    0.167594E+03  0.744852E-07 0.100000E-04    0.990705E+00
  55   -0.188646E-04    0.165360E+03  0.114082E-06 0.100000E-04    0.998512E+00
  56   -0.590580E-05    0.159544E+03  0.370167E-07 0.100000E-04    0.991538E+00
  57   -0.690245E-05    0.153702E+03  0.449081E-07 0.100000E-04    0.989110E+00
  58    0.204504E-04    0.151072E+03 -0.135369E-06 0.100000E-04    0.996575E+00
  59   -0.248112E-05    0.149023E+03  0.166492E-07 0.100000E-04    0.990039E+00
  60   -0.189525E-04    0.143133E+03  0.132412E-06 0.100000E-04    0.994191E+00
  61    0.198375E-04    0.137007E+03 -0.144792E-06 0.100000E-04    0.995127E+00
  62    0.309193E-04    0.135602E+03 -0.228015E-06 0.100000E-04    0.999325E+00
  63    0.220810E-04    0.130762E+03 -0.168864E-06 0.100000E-04    0.999561E+00
  64    0.174888E-04    0.127827E+03 -0.136816E-06 0.100000E-04    0.990428E+00
  65    0.532687E-05    0.126058E+03 -0.422573E-07 0.100000E-04    0.964498E+00
  66    0.253761E-04    0.125537E+03 -0.202141E-06 0.100000E-04    0.998485E+00
  67   -0.446413E-05    0.119635E+03  0.373144E-07 0.100000E-04    0.988439E+00
  68   -0.833613E-05    0.118017E+03  0.706352E-07 0.100000E-04    0.998057E+00
  69    0.404972E-05    0.116918E+03 -0.346374E-07 0.100000E-04    0.996633E+00
  70   -0.210958E-04    0.111378E+03  0.189408E-06 0.100000E-04    0.994478E+00
  71    0.410257E-05    0.108413E+03 -0.378422E-07 0.100000E-04    0.997218E+00
  72   -0.453273E-04    0.104933E+03  0.431963E-06 0.100000E-04    0.997127E+00
  73    0.227711E-04    0.103032E+03 -0.221011E-06 0.100000E-04    0.994995E+00
  74    0.297480E-04    0.998760E+02 -0.297849E-06 0.100000E-04    0.998216E+00
  75   -0.522415E-04    0.963207E+02  0.542370E-06 0.100000E-04    0.992649E+00
  76   -0.261569E-04    0.950862E+02  0.275086E-06 0.100000E-04    0.995534E+00
  77    0.617179E-04    0.922174E+02 -0.669265E-06 0.100000E-04    0.998384E+00
  78   -0.418983E-06    0.903972E+02  0.463492E-08 0.100000E-04    0.984671E+00
  79    0.166319E-04    0.897984E+02 -0.185214E-06 0.100000E-04    0.983855E+00
  80   -0.193695E-04    0.848300E+02  0.228333E-06 0.100000E-04    0.994560E+00
  81    0.188352E-04    0.809159E+02 -0.232776E-06 0.100000E-04    0.998397E+00
  82    0.561266E-05    0.796680E+02 -0.704506E-07 0.100000E-04    0.971240E+00
  83    0.144136E-04    0.783678E+02 -0.183923E-06 0.100000E-04    0.991285E+00
  84   -0.315774E-04    0.727298E+02  0.434173E-06 0.100000E-04    0.997414E+00
  85    0.411835E-04    0.719573E+02 -0.572332E-06 0.100000E-04    0.999319E+00
  86    0.104269E-04    0.682991E+02 -0.152665E-06 0.100000E-04    0.971366E+00
  87    0.391326E-04    0.672674E+02 -0.581747E-06 0.100000E-04    0.995622E+00
  88    0.145744E-05    0.633363E+02 -0.230111E-07 0.100000E-04    0.982256E+00
  89    0.492507E-04    0.606807E+02 -0.811636E-06 0.100000E-04    0.996817E+00
  90    0.247391E-04    0.596843E+02 -0.414500E-06 0.100000E-04    0.999329E+00
  91    0.166893E-06    0.590127E+02 -0.282809E-08 0.100000E-04    0.686809E+00
  92    0.574775E-04    0.559913E+02 -0.102654E-05 0.100000E-04    0.996467E+00
  93   -0.357838E-04    0.529970E+02  0.675205E-06 0.100000E-04    0.994778E+00
  94   -0.396051E-04    0.522435E+02  0.758086E-06 0.100000E-04    0.998882E+00
  95   -0.293863E-04    0.501518E+02  0.585946E-06 0.100000E-04    0.992422E+00
  96   -0.105128E-04    0.477507E+02  0.220161E-06 0.100000E-04    0.998350E+00
  97    0.373771E-04    0.429763E+02 -0.869715E-06 0.100000E-04    0.998916E+00
  98    0.336919E-04    0.402488E+02 -0.837091E-06 0.100000E-04    0.995192E+00
  99    0.107603E-03    0.371846E+02 -0.289375E-05 0.100000E-04    0.997979E+00
 100   -0.112208E-03    0.359407E+02  0.312202E-05 0.100000E-04    0.998971E+00
 101    0.791348E-05    0.352647E+02 -0.224403E-06 0.100000E-04    0.978858E+00
 102   -0.903851E-04    0.288445E+02  0.313353E-05 0.100000E-04    0.999182E+00
 103   -0.758932E-05    0.287132E+02  0.264314E-06 0.100000E-04    0.934751E+00
 104    0.649658E-04    0.279583E+02 -0.232367E-05 0.100000E-04    0.998045E+00
 105    0.485883E-04    0.229200E+02 -0.211991E-05 0.100000E-04    0.993674E+00
 106    0.701938E-05    0.217002E+02 -0.323471E-06 0.100000E-04    0.941694E+00
 107    0.122225E-03    0.201307E+02 -0.607161E-05 0.100000E-04    0.996950E+00
 108   -0.245894E-04    0.168252E+02  0.146146E-05 0.100000E-04    0.984418E+00
 109   -0.771813E-04    0.137731E+02  0.560378E-05 0.100000E-04    0.994741E+00
 110    0.286648E-02    0.122736E+02 -0.100000E-04 0.100000E-04    0.575790E+00
 111   -0.479972E-02    0.984223E+01  0.100000E-04 0.100000E-04    0.911074E+00
 112    0.259754E-02    0.938469E+01 -0.109000E-04 0.109000E-04    0.709923E-01
 113    0.165462E-01    0.741914E+01 -0.123914E-04 0.123914E-04    0.287357E+00
 114    0.556994E+00    0.447781E+01  0.400000E-03 0.400000E-03    0.391707E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1225226310    

 Beginning of optimization cycle  275.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3697833767
 potential> RMS force:                                               0.0523606403   |gradient|=.5590586537    
 Eigenvalues of the Hessian matrix:
   730.05476    673.06338    626.28849    604.45336    588.78176    569.15544 
   566.47750    481.60245    466.30131    461.69471    441.34224    430.09942 
   421.57438    407.50696    397.66153    388.84595    367.55428    362.23196 
   351.23925    337.42180    325.33277    321.53987    319.81677    314.08361 
   304.50742    288.14023    279.07149    270.72434    266.41409    263.77763 
   258.90726    253.79811    242.50864    237.77559    235.62549    228.66365 
   221.29262    213.34270    211.99798    207.77350    203.43378    197.82300 
   195.42993    191.58225    184.83624    175.73054    171.52084    167.59172 
   165.35533    159.53536    153.70569    151.07543    149.01838    143.13574 
   137.00843    135.60692    130.76073    127.83037    126.05781    125.53987 
   119.63733    118.01756    116.91976    111.37128    108.40233    104.93009 
   103.03299     99.87381     96.31212     95.08435     92.22981     90.39571 
    89.80115     84.83272     80.91602     79.67071     78.36635     72.73016 
    71.96163     68.29889     67.25558     63.33495     60.67073     59.68514 
    59.01420     55.99242     52.99287     52.24418     50.15040     47.74775 
    42.97391     40.25118     37.18839     35.94564     35.25387     28.84388 
    28.71237     27.95002     22.92041     21.69550     20.13551     16.82525 
    13.77329     12.27290      9.84187      9.37651      7.41550      4.47385 
overlap for current and previous eigenvector    109 is         0.9999994891
overlap for current and previous eigenvector    110 is         0.9999993773
overlap for current and previous eigenvector    111 is         0.9999476139
overlap for current and previous eigenvector    112 is         0.9999433902
overlap for current and previous eigenvector    113 is         0.9999953357
overlap for current and previous eigenvector    114 is         0.9999996805
J1,K1,R1,R2,RAT=   7   7   -0.1009615400E-01     2.009927491        0.9899038460    
FOB,PFOB,DIAG,PSTEP=   -0.2730253184E-05   -0.2702961368E-05     730.0547591        0.3702721334E-08
J1,K1,R1,R2,RAT=   8   8   -0.2711321755E-03     2.000239551        0.9997288678    
FOB,PFOB,DIAG,PSTEP=   -0.3660127722E-05   -0.3659135597E-05     673.0633799        0.5436625268E-08
J1,K1,R1,R2,RAT=   9   9    0.5328766674E-01     1.946670663        0.9466706626    
FOB,PFOB,DIAG,PSTEP=    0.3243995428E-06    0.3426594456E-06     626.2884856       -0.5471385681E-09
J1,K1,R1,R2,RAT=  10  10   -0.1210406234E-01     2.012114774        0.9878959377    
FOB,PFOB,DIAG,PSTEP=    0.1792654258E-05    0.1771215470E-05     604.4533577       -0.2930260807E-08
J1,K1,R1,R2,RAT=  11  11    0.1936580176E-02     1.998093579        0.9980634198    
FOB,PFOB,DIAG,PSTEP=   -0.1210184856E-05   -0.1212532988E-05     588.7817639        0.2059361851E-08
J1,K1,R1,R2,RAT= 109 109   -0.2963785754E-02     2.002936086        0.9970362142    
FOB,PFOB,DIAG,PSTEP=   -0.7741008868E-04   -0.7718133657E-04     13.77328737        0.5603775150E-05
J1,K1,R1,R2,RAT= 110 110   -0.4323530455         47.14470525        0.5676469545    
FOB,PFOB,DIAG,PSTEP=    0.2919542038E-02    0.2866479787E-02     12.27289850       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.9274148702E-01     97.44403234        0.9072585130    
FOB,PFOB,DIAG,PSTEP=   -0.4790594831E-02   -0.4799722329E-02     9.841872232        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7618697528         51.59245640        0.2381302472    
FOB,PFOB,DIAG,PSTEP=    0.2675408346E-02    0.2597542280E-02     9.376505248       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9066315806         361.0428617        0.9336841945E-01
FOB,PFOB,DIAG,PSTEP=    0.1662953863E-01    0.1654622941E-01     7.415495479       -0.1239144771E-04
J1,K1,R1,R2,RAT= 114 114    0.9960524106        -623.4957310        0.3947589445E-02
FOB,PFOB,DIAG,PSTEP=    0.5587766133        0.5569941374         4.473850803        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002      0.00002      0.00001      0.00003 
    -0.00000     -0.00001      0.00000      0.00002      0.00000     -0.00005 
     0.00002      0.00003     -0.00005     -0.00003     -0.00006     -0.00000 
     0.00002     -0.00002     -0.00002     -0.00001      0.00001     -0.00003 
     0.00004      0.00001      0.00004     -0.00000     -0.00005     -0.00002 
    -0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
     0.00004      0.00003      0.00011     -0.00011      0.00001     -0.00009 
    -0.00001      0.00007      0.00005      0.00001      0.00012     -0.00002 
    -0.00008      0.00292     -0.00479      0.00268      0.01663      0.55878 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4328323157
 Log product of positive Hessian eigenvalues =          520.0090708756
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4738508029
 Unscaled step for mode    7=        0.0000000037
 Unscaled step for mode    8=        0.0000000054
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=       -0.0000000000
 Unscaled step for mode   13=        0.0000000056
 Unscaled step for mode   14=        0.0000000074
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000103
 Unscaled step for mode   17=       -0.0000000085
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000330
 Unscaled step for mode   20=       -0.0000000208
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000130
 Unscaled step for mode   23=        0.0000000005
 Unscaled step for mode   24=        0.0000000006
 Unscaled step for mode   25=        0.0000000487
 Unscaled step for mode   26=        0.0000000845
 Unscaled step for mode   27=        0.0000000439
 Unscaled step for mode   28=       -0.0000000248
 Unscaled step for mode   29=       -0.0000000115
 Unscaled step for mode   30=        0.0000000737
 Unscaled step for mode   31=        0.0000000333
 Unscaled step for mode   32=        0.0000000155
 Unscaled step for mode   33=       -0.0000000349
 Unscaled step for mode   34=       -0.0000000264
 Unscaled step for mode   35=       -0.0000000856
 Unscaled step for mode   36=       -0.0000000488
 Unscaled step for mode   37=        0.0000000565
 Unscaled step for mode   38=        0.0000000114
 Unscaled step for mode   39=        0.0000000707
 Unscaled step for mode   40=       -0.0000000062
 Unscaled step for mode   41=        0.0000001292
 Unscaled step for mode   42=        0.0000000377
 Unscaled step for mode   43=       -0.0000000439
 Unscaled step for mode   44=        0.0000000844
 Unscaled step for mode   45=       -0.0000000071
 Unscaled step for mode   46=       -0.0000000876
 Unscaled step for mode   47=        0.0000001380
 Unscaled step for mode   48=       -0.0000000152
 Unscaled step for mode   49=        0.0000001023
 Unscaled step for mode   50=        0.0000000476
 Unscaled step for mode   51=        0.0000000710
 Unscaled step for mode   52=       -0.0000000095
 Unscaled step for mode   53=        0.0000000623
 Unscaled step for mode   54=        0.0000000748
 Unscaled step for mode   55=        0.0000001142
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000451
 Unscaled step for mode   58=       -0.0000001358
 Unscaled step for mode   59=        0.0000000159
 Unscaled step for mode   60=        0.0000001325
 Unscaled step for mode   61=       -0.0000001459
 Unscaled step for mode   62=       -0.0000002283
 Unscaled step for mode   63=       -0.0000001695
 Unscaled step for mode   64=       -0.0000001377
 Unscaled step for mode   65=       -0.0000000437
 Unscaled step for mode   66=       -0.0000002026
 Unscaled step for mode   67=        0.0000000375
 Unscaled step for mode   68=        0.0000000708
 Unscaled step for mode   69=       -0.0000000351
 Unscaled step for mode   70=       -0.0000001898
 Unscaled step for mode   71=       -0.0000000382
 Unscaled step for mode   72=        0.0000004348
 Unscaled step for mode   73=       -0.0000002218
 Unscaled step for mode   74=       -0.0000002984
 Unscaled step for mode   75=        0.0000005459
 Unscaled step for mode   76=        0.0000002731
 Unscaled step for mode   77=        0.0000006689
 Unscaled step for mode   78=        0.0000000055
 Unscaled step for mode   79=       -0.0000001844
 Unscaled step for mode   80=        0.0000002284
 Unscaled step for mode   81=        0.0000002337
 Unscaled step for mode   82=        0.0000000695
 Unscaled step for mode   83=       -0.0000001832
 Unscaled step for mode   84=        0.0000004370
 Unscaled step for mode   85=       -0.0000005746
 Unscaled step for mode   86=       -0.0000001488
 Unscaled step for mode   87=       -0.0000005830
 Unscaled step for mode   88=        0.0000000240
 Unscaled step for mode   89=        0.0000008135
 Unscaled step for mode   90=        0.0000004185
 Unscaled step for mode   91=        0.0000000037
 Unscaled step for mode   92=        0.0000010266
 Unscaled step for mode   93=       -0.0000006756
 Unscaled step for mode   94=       -0.0000007626
 Unscaled step for mode   95=       -0.0000005868
 Unscaled step for mode   96=       -0.0000002183
 Unscaled step for mode   97=       -0.0000008741
 Unscaled step for mode   98=       -0.0000008413
 Unscaled step for mode   99=       -0.0000029084
 Unscaled step for mode  100=        0.0000031141
 Unscaled step for mode  101=       -0.0000002356
 Unscaled step for mode  102=        0.0000031475
 Unscaled step for mode  103=        0.0000002481
 Unscaled step for mode  104=       -0.0000023530
 Unscaled step for mode  105=       -0.0000021213
 Unscaled step for mode  106=       -0.0000003577
 Unscaled step for mode  107=       -0.0000060430
 Unscaled step for mode  108=        0.0000014282
 Unscaled step for mode  109=        0.0000056203
 Unscaled step for mode  110=       -0.0002378853
 Unscaled step for mode  111=        0.0004867563
 Unscaled step for mode  112=       -0.0002853311
 Unscaled step for mode  113=       -0.0022425278
 Unscaled step for mode  114=        0.1230085080
 Largest modulus ratio of non-zero e/values=           163.1826342    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.286663E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.110719E-14    0.100725E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.536843E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.181249E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.113885E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.827599E-15    0.973806E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.273025E-05    0.730055E+03  0.373979E-08 0.100000E-04    0.989904E+00
   8   -0.366013E-05    0.673063E+03  0.543801E-08 0.100000E-04    0.999729E+00
   9    0.324400E-06    0.626288E+03 -0.517971E-09 0.100000E-04    0.946671E+00
  10    0.179265E-05    0.604453E+03 -0.296574E-08 0.100000E-04    0.987896E+00
  11   -0.121018E-05    0.588782E+03  0.205540E-08 0.100000E-04    0.998063E+00
  12    0.152723E-08    0.569155E+03 -0.268332E-11 0.109000E-04    0.428612E-01
  13   -0.316174E-05    0.566477E+03  0.558140E-08 0.100000E-04    0.994932E+00
  14   -0.357759E-05    0.481602E+03  0.742850E-08 0.100000E-04    0.993728E+00
  15    0.176537E-05    0.466301E+03 -0.378589E-08 0.100000E-04    0.987884E+00
  16    0.475221E-05    0.461695E+03 -0.102930E-07 0.100000E-04    0.993304E+00
  17    0.376026E-05    0.441342E+03 -0.852005E-08 0.100000E-04    0.993973E+00
  18    0.477767E-05    0.430099E+03 -0.111083E-07 0.100000E-04    0.996917E+00
  19   -0.139155E-04    0.421574E+03  0.330083E-07 0.100000E-04    0.996342E+00
  20    0.848825E-05    0.407507E+03 -0.208297E-07 0.100000E-04    0.999010E+00
  21    0.728567E-05    0.397662E+03 -0.183213E-07 0.100000E-04    0.999104E+00
  22   -0.505360E-05    0.388846E+03  0.129964E-07 0.100000E-04    0.988362E+00
  23   -0.194518E-06    0.367554E+03  0.529222E-09 0.100000E-04    0.949193E+00
  24   -0.205695E-06    0.362232E+03  0.567854E-09 0.100000E-04    0.764520E+00
  25   -0.170945E-04    0.351239E+03  0.486690E-07 0.100000E-04    0.997463E+00
  26   -0.285210E-04    0.337422E+03  0.845262E-07 0.100000E-04    0.996456E+00
  27   -0.142946E-04    0.325333E+03  0.439384E-07 0.100000E-04    0.997632E+00
  28    0.797699E-05    0.321540E+03 -0.248087E-07 0.100000E-04    0.984821E+00
  29    0.366374E-05    0.319817E+03 -0.114558E-07 0.100000E-04    0.974485E+00
  30   -0.231617E-04    0.314084E+03  0.737437E-07 0.100000E-04    0.998940E+00
  31   -0.101370E-04    0.304507E+03  0.332899E-07 0.100000E-04    0.995009E+00
  32   -0.447917E-05    0.288140E+03  0.155451E-07 0.100000E-04    0.987922E+00
  33    0.975200E-05    0.279071E+03 -0.349444E-07 0.100000E-04    0.993111E+00
  34    0.715698E-05    0.270724E+03 -0.264364E-07 0.100000E-04    0.989936E+00
  35    0.227981E-04    0.266414E+03 -0.855738E-07 0.100000E-04    0.999374E+00
  36    0.128647E-04    0.263778E+03 -0.487711E-07 0.100000E-04    0.992593E+00
  37   -0.146260E-04    0.258907E+03  0.564911E-07 0.100000E-04    0.995782E+00
  38   -0.289103E-05    0.253798E+03  0.113911E-07 0.100000E-04    0.987688E+00
  39   -0.171515E-04    0.242509E+03  0.707253E-07 0.100000E-04    0.997075E+00
  40    0.147277E-05    0.237776E+03 -0.619394E-08 0.100000E-04    0.853250E+00
  41   -0.304529E-04    0.235625E+03  0.129243E-06 0.100000E-04    0.993670E+00
  42   -0.862895E-05    0.228664E+03  0.377364E-07 0.100000E-04    0.993176E+00
  43    0.972050E-05    0.221293E+03 -0.439260E-07 0.100000E-04    0.994687E+00
  44   -0.179993E-04    0.213343E+03  0.843682E-07 0.100000E-04    0.994677E+00
  45    0.149482E-05    0.211998E+03 -0.705110E-08 0.100000E-04    0.974730E+00
  46    0.182053E-04    0.207774E+03 -0.876207E-07 0.100000E-04    0.995245E+00
  47   -0.280722E-04    0.203434E+03  0.137992E-06 0.100000E-04    0.998569E+00
  48    0.299758E-05    0.197823E+03 -0.151529E-07 0.100000E-04    0.991969E+00
  49   -0.199947E-04    0.195430E+03  0.102311E-06 0.100000E-04    0.997515E+00
  50   -0.912487E-05    0.191582E+03  0.476290E-07 0.100000E-04    0.991683E+00
  51   -0.131211E-04    0.184836E+03  0.709876E-07 0.100000E-04    0.998870E+00
  52    0.167100E-05    0.175731E+03 -0.950888E-08 0.100000E-04    0.993559E+00
  53   -0.106794E-04    0.171521E+03  0.622629E-07 0.100000E-04    0.997547E+00
  54   -0.125328E-04    0.167592E+03  0.747818E-07 0.100000E-04    0.996031E+00
  55   -0.188909E-04    0.165355E+03  0.114244E-06 0.100000E-04    0.998609E+00
  56   -0.595709E-05    0.159535E+03  0.373403E-07 0.100000E-04    0.991315E+00
  57   -0.693602E-05    0.153706E+03  0.451253E-07 0.100000E-04    0.995137E+00
  58    0.205234E-04    0.151075E+03 -0.135849E-06 0.100000E-04    0.996433E+00
  59   -0.237328E-05    0.149018E+03  0.159261E-07 0.100000E-04    0.956537E+00
  60   -0.189656E-04    0.143136E+03  0.132501E-06 0.100000E-04    0.999307E+00
  61    0.199938E-04    0.137008E+03 -0.145931E-06 0.100000E-04    0.992120E+00
  62    0.309599E-04    0.135607E+03 -0.228306E-06 0.100000E-04    0.998686E+00
  63    0.221652E-04    0.130761E+03 -0.169509E-06 0.100000E-04    0.996189E+00
  64    0.176058E-04    0.127830E+03 -0.137728E-06 0.100000E-04    0.993310E+00
  65    0.550910E-05    0.126058E+03 -0.437030E-07 0.100000E-04    0.965790E+00
  66    0.254312E-04    0.125540E+03 -0.202575E-06 0.100000E-04    0.997830E+00
  67   -0.448329E-05    0.119637E+03  0.374740E-07 0.100000E-04    0.995707E+00
  68   -0.835926E-05    0.118018E+03  0.708306E-07 0.100000E-04    0.997225E+00
  69    0.409852E-05    0.116920E+03 -0.350541E-07 0.100000E-04    0.987950E+00
  70    0.211409E-04    0.111371E+03 -0.189824E-06 0.100000E-04    0.997862E+00
  71    0.414249E-05    0.108402E+03 -0.382141E-07 0.100000E-04    0.990267E+00
  72   -0.456189E-04    0.104930E+03  0.434756E-06 0.100000E-04    0.993566E+00
  73    0.228499E-04    0.103033E+03 -0.221772E-06 0.100000E-04    0.996542E+00
  74    0.298049E-04    0.998738E+02 -0.298426E-06 0.100000E-04    0.998086E+00
  75   -0.525806E-04    0.963121E+02  0.545940E-06 0.100000E-04    0.993507E+00
  76   -0.259692E-04    0.950843E+02  0.273118E-06 0.100000E-04    0.992823E+00
  77   -0.616938E-04    0.922298E+02  0.668914E-06 0.100000E-04    0.999340E+00
  78   -0.501074E-06    0.903957E+02  0.554312E-08 0.100000E-04    0.804069E+00
  79    0.165626E-04    0.898012E+02 -0.184436E-06 0.100000E-04    0.995772E+00
  80   -0.193783E-04    0.848327E+02  0.228429E-06 0.100000E-04    0.999548E+00
  81   -0.189108E-04    0.809160E+02  0.233709E-06 0.100000E-04    0.995989E+00
  82   -0.553577E-05    0.796707E+02  0.694831E-07 0.100000E-04    0.986233E+00
  83    0.143543E-04    0.783664E+02 -0.183169E-06 0.100000E-04    0.995881E+00
  84   -0.317804E-04    0.727302E+02  0.436962E-06 0.100000E-04    0.993571E+00
  85    0.413482E-04    0.719616E+02 -0.574586E-06 0.100000E-04    0.996001E+00
  86    0.101631E-04    0.682989E+02 -0.148803E-06 0.100000E-04    0.974700E+00
  87    0.392100E-04    0.672556E+02 -0.583000E-06 0.100000E-04    0.998021E+00
  88   -0.152247E-05    0.633349E+02  0.240383E-07 0.100000E-04    0.955379E+00
  89   -0.493582E-04    0.606707E+02  0.813543E-06 0.100000E-04    0.997816E+00
  90   -0.249782E-04    0.596851E+02  0.418499E-06 0.100000E-04    0.990337E+00
  91   -0.217580E-06    0.590142E+02  0.368691E-08 0.100000E-04    0.696299E+00
  92   -0.574828E-04    0.559924E+02  0.102662E-05 0.100000E-04    0.999909E+00
  93    0.358031E-04    0.529929E+02 -0.675621E-06 0.100000E-04    0.999462E+00
  94    0.398403E-04    0.522442E+02 -0.762579E-06 0.100000E-04    0.994061E+00
  95    0.294301E-04    0.501504E+02 -0.586837E-06 0.100000E-04    0.998509E+00
  96    0.104252E-04    0.477477E+02 -0.218340E-06 0.100000E-04    0.991670E+00
  97    0.375619E-04    0.429739E+02 -0.874062E-06 0.100000E-04    0.995056E+00
  98    0.338637E-04    0.402512E+02 -0.841310E-06 0.100000E-04    0.994900E+00
  99    0.108160E-03    0.371884E+02 -0.290843E-05 0.100000E-04    0.994822E+00
 100   -0.111939E-03    0.359456E+02  0.311412E-05 0.100000E-04    0.997334E+00
 101    0.830565E-05    0.352539E+02 -0.235595E-06 0.100000E-04    0.950428E+00
 102   -0.907853E-04    0.288439E+02  0.314747E-05 0.100000E-04    0.995573E+00
 103   -0.712394E-05    0.287124E+02  0.248114E-06 0.100000E-04    0.938679E+00
 104    0.657662E-04    0.279500E+02 -0.235299E-05 0.100000E-04    0.987676E+00
 105    0.486214E-04    0.229204E+02 -0.212131E-05 0.100000E-04    0.999320E+00
 106    0.776074E-05    0.216955E+02 -0.357712E-06 0.100000E-04    0.894361E+00
 107    0.121679E-03    0.201355E+02 -0.604302E-05 0.100000E-04    0.995051E+00
 108   -0.240296E-04    0.168252E+02  0.142819E-05 0.100000E-04    0.977231E+00
 109   -0.774101E-04    0.137733E+02  0.562031E-05 0.100000E-04    0.997036E+00
 110    0.291954E-02    0.122729E+02 -0.100000E-04 0.100000E-04    0.567647E+00
 111   -0.479059E-02    0.984187E+01  0.100000E-04 0.100000E-04    0.907259E+00
 112    0.267541E-02    0.937651E+01 -0.100000E-04 0.100000E-04    0.238130E+00
 113    0.166295E-01    0.741550E+01 -0.135067E-04 0.135067E-04    0.933684E-01
 114    0.558777E+00    0.447385E+01  0.400000E-03 0.400000E-03    0.394759E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1230085080    

 Beginning of optimization cycle  276.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3695598359
 potential> RMS force:                                               0.0525276152   |gradient|=.5608414578    
 Eigenvalues of the Hessian matrix:
   730.11635    673.07382    626.30143    604.45024    588.77273    569.19748 
   566.48795    481.62605    466.27802    461.68690    441.34271    430.09133 
   421.57978    407.51607    397.65667    388.84636    367.55994    362.22273 
   351.23176    337.39515    325.34231    321.53835    319.82753    314.05564 
   304.49874    288.14762    279.06605    270.72309    266.42217    263.78682 
   258.91833    253.80064    242.50379    237.77957    235.61954    228.66189 
   221.27231    213.35033    212.00305    207.76405    203.43659    197.81807 
   195.42763    191.58156    184.82597    175.71802    171.52697    167.58982 
   165.35061    159.52642    153.70983    151.07911    149.01355    143.13828 
   137.00969    135.61152    130.75900    127.83382    126.05770    125.54267 
   119.63920    118.01849    116.92185    111.36472    108.39212    104.92685 
   103.03435     99.87163     96.30358     95.08240     92.24230     90.39442 
    89.80367     84.83547     80.91612     79.67346     78.36488     72.73049 
    71.96595     68.29856     67.24372     63.33351     60.66073     59.68597 
    59.01567     55.99348     52.98877     52.24482     50.14896     47.74475 
    42.97158     40.25359     37.19217     35.95042     35.24297     28.84323 
    28.71152     27.94171     22.92086     21.69075     20.14032     16.82526 
    13.77348     12.27226      9.84161      9.36821      7.41180      4.46988 
overlap for current and previous eigenvector    109 is         0.9999994889
overlap for current and previous eigenvector    110 is         0.9999993795
overlap for current and previous eigenvector    111 is         0.9999507685
overlap for current and previous eigenvector    112 is         0.9999464488
overlap for current and previous eigenvector    113 is         0.9999952680
overlap for current and previous eigenvector    114 is         0.9999996829
J1,K1,R1,R2,RAT=   7   7   -0.8779045069E-02     2.008610333        0.9912209549    
FOB,PFOB,DIAG,PSTEP=   -0.2754224222E-05   -0.2730253184E-05     730.1163490        0.3739792324E-08
J1,K1,R1,R2,RAT=   8   8   -0.9409459640E-02     2.009378435        0.9905905404    
FOB,PFOB,DIAG,PSTEP=   -0.3694568081E-05   -0.3660127722E-05     673.0738210        0.5438013464E-08
J1,K1,R1,R2,RAT=   9   9   -0.1729658743E-01     2.017255256        0.9827034126    
FOB,PFOB,DIAG,PSTEP=    0.3300106639E-06    0.3243995428E-06     626.3014285       -0.5179714306E-09
J1,K1,R1,R2,RAT=  10  10    0.6654647743E-02     1.993355678        0.9933453523    
FOB,PFOB,DIAG,PSTEP=    0.1780724837E-05    0.1792654258E-05     604.4502370       -0.2965744561E-08
J1,K1,R1,R2,RAT=  11  11   -0.9575994215E-02     2.009606683        0.9904240058    
FOB,PFOB,DIAG,PSTEP=   -0.1221773401E-05   -0.1210184856E-05     588.7727294        0.2055404786E-08
J1,K1,R1,R2,RAT= 109 109    0.5302398685E-02     1.994669701        0.9946697013    
FOB,PFOB,DIAG,PSTEP=   -0.7699962380E-04   -0.7741008868E-04     13.77347951        0.5620305929E-05
J1,K1,R1,R2,RAT= 110 110   -0.4321764564         48.01172520        0.5678235436    
FOB,PFOB,DIAG,PSTEP=    0.2972579839E-02    0.2919542038E-02     12.27225611       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1123351767         97.24154986        0.8876648233    
FOB,PFOB,DIAG,PSTEP=   -0.4779539241E-02   -0.4790594831E-02     9.841609976        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9097779554         58.02651072        0.9022204456E-01
FOB,PFOB,DIAG,PSTEP=    0.2760638275E-02    0.2675408346E-02     9.368212139       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7436598556         332.9731940        0.2563401444    
FOB,PFOB,DIAG,PSTEP=    0.1670398548E-01    0.1662953863E-01     7.411795230       -0.1350667800E-04
J1,K1,R1,R2,RAT= 114 114    0.9960507868        -626.0430398        0.3949213218E-02
FOB,PFOB,DIAG,PSTEP=    0.5605575031        0.5587766133         4.469876850        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002      0.00003      0.00002      0.00002      0.00001      0.00003 
    -0.00000     -0.00001      0.00000      0.00002     -0.00000      0.00005 
    -0.00002      0.00003     -0.00005     -0.00003     -0.00006     -0.00000 
     0.00002     -0.00002     -0.00002     -0.00001      0.00001     -0.00003 
     0.00004     -0.00001      0.00004      0.00000      0.00005     -0.00003 
    -0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
     0.00004      0.00003      0.00011     -0.00011      0.00001      0.00009 
     0.00001     -0.00007     -0.00005      0.00001      0.00012     -0.00002 
    -0.00008      0.00297     -0.00478      0.00276      0.01670      0.56056 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4327280379
 Log product of positive Hessian eigenvalues =          520.0058079950
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4698768504
 Unscaled step for mode    7=        0.0000000038
 Unscaled step for mode    8=        0.0000000055
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000029
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000001
 Unscaled step for mode   13=        0.0000000056
 Unscaled step for mode   14=        0.0000000073
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000103
 Unscaled step for mode   17=       -0.0000000085
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000331
 Unscaled step for mode   20=       -0.0000000208
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000130
 Unscaled step for mode   23=        0.0000000005
 Unscaled step for mode   24=        0.0000000006
 Unscaled step for mode   25=        0.0000000488
 Unscaled step for mode   26=        0.0000000847
 Unscaled step for mode   27=        0.0000000441
 Unscaled step for mode   28=       -0.0000000252
 Unscaled step for mode   29=       -0.0000000116
 Unscaled step for mode   30=        0.0000000739
 Unscaled step for mode   31=        0.0000000336
 Unscaled step for mode   32=        0.0000000156
 Unscaled step for mode   33=       -0.0000000350
 Unscaled step for mode   34=       -0.0000000266
 Unscaled step for mode   35=       -0.0000000857
 Unscaled step for mode   36=       -0.0000000491
 Unscaled step for mode   37=        0.0000000567
 Unscaled step for mode   38=        0.0000000113
 Unscaled step for mode   39=        0.0000000708
 Unscaled step for mode   40=       -0.0000000053
 Unscaled step for mode   41=        0.0000001299
 Unscaled step for mode   42=        0.0000000379
 Unscaled step for mode   43=       -0.0000000443
 Unscaled step for mode   44=        0.0000000849
 Unscaled step for mode   45=       -0.0000000067
 Unscaled step for mode   46=       -0.0000000881
 Unscaled step for mode   47=        0.0000001383
 Unscaled step for mode   48=       -0.0000000153
 Unscaled step for mode   49=        0.0000001029
 Unscaled step for mode   50=        0.0000000474
 Unscaled step for mode   51=        0.0000000715
 Unscaled step for mode   52=       -0.0000000097
 Unscaled step for mode   53=        0.0000000626
 Unscaled step for mode   54=        0.0000000755
 Unscaled step for mode   55=        0.0000001144
 Unscaled step for mode   56=        0.0000000370
 Unscaled step for mode   57=       -0.0000000456
 Unscaled step for mode   58=        0.0000001363
 Unscaled step for mode   59=       -0.0000000158
 Unscaled step for mode   60=       -0.0000001333
 Unscaled step for mode   61=       -0.0000001466
 Unscaled step for mode   62=       -0.0000002282
 Unscaled step for mode   63=       -0.0000001694
 Unscaled step for mode   64=       -0.0000001390
 Unscaled step for mode   65=       -0.0000000452
 Unscaled step for mode   66=       -0.0000002022
 Unscaled step for mode   67=        0.0000000379
 Unscaled step for mode   68=        0.0000000710
 Unscaled step for mode   69=       -0.0000000352
 Unscaled step for mode   70=       -0.0000001909
 Unscaled step for mode   71=        0.0000000383
 Unscaled step for mode   72=       -0.0000004360
 Unscaled step for mode   73=        0.0000002229
 Unscaled step for mode   74=       -0.0000002979
 Unscaled step for mode   75=        0.0000005500
 Unscaled step for mode   76=        0.0000002717
 Unscaled step for mode   77=        0.0000006698
 Unscaled step for mode   78=        0.0000000054
 Unscaled step for mode   79=       -0.0000001814
 Unscaled step for mode   80=        0.0000002296
 Unscaled step for mode   81=        0.0000002341
 Unscaled step for mode   82=        0.0000000674
 Unscaled step for mode   83=       -0.0000001848
 Unscaled step for mode   84=        0.0000004381
 Unscaled step for mode   85=       -0.0000005749
 Unscaled step for mode   86=        0.0000001444
 Unscaled step for mode   87=       -0.0000005856
 Unscaled step for mode   88=       -0.0000000244
 Unscaled step for mode   89=       -0.0000008162
 Unscaled step for mode   90=        0.0000004189
 Unscaled step for mode   91=        0.0000000044
 Unscaled step for mode   92=        0.0000010302
 Unscaled step for mode   93=       -0.0000006721
 Unscaled step for mode   94=       -0.0000007634
 Unscaled step for mode   95=       -0.0000005824
 Unscaled step for mode   96=       -0.0000002186
 Unscaled step for mode   97=       -0.0000008750
 Unscaled step for mode   98=       -0.0000008453
 Unscaled step for mode   99=       -0.0000029139
 Unscaled step for mode  100=        0.0000031112
 Unscaled step for mode  101=       -0.0000002403
 Unscaled step for mode  102=       -0.0000031500
 Unscaled step for mode  103=       -0.0000002297
 Unscaled step for mode  104=        0.0000023493
 Unscaled step for mode  105=        0.0000021347
 Unscaled step for mode  106=       -0.0000003382
 Unscaled step for mode  107=       -0.0000060599
 Unscaled step for mode  108=        0.0000014047
 Unscaled step for mode  109=        0.0000055904
 Unscaled step for mode  110=       -0.0002422195
 Unscaled step for mode  111=        0.0004856460
 Unscaled step for mode  112=       -0.0002946814
 Unscaled step for mode  113=       -0.0022536916
 Unscaled step for mode  114=        0.1234952149
 Largest modulus ratio of non-zero e/values=           163.3414909    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.131188E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.789299E-15    0.100725E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.459400E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.559716E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.767615E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.599455E-15    0.973808E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.275422E-05    0.730116E+03  0.377231E-08 0.100000E-04    0.991221E+00
   8   -0.369457E-05    0.673074E+03  0.548910E-08 0.100000E-04    0.990591E+00
   9    0.330011E-06    0.626301E+03 -0.526920E-09 0.100000E-04    0.982703E+00
  10    0.178072E-05    0.604450E+03 -0.294602E-08 0.100000E-04    0.993345E+00
  11   -0.122177E-05    0.588773E+03  0.207512E-08 0.100000E-04    0.990424E+00
  12   -0.356559E-07    0.569197E+03  0.626424E-10 0.100000E-04    0.213452E+02
  13   -0.319601E-05    0.566488E+03  0.564180E-08 0.100000E-04    0.989160E+00
  14   -0.353937E-05    0.481626E+03  0.734880E-08 0.100000E-04    0.989222E+00
  15    0.178624E-05    0.466278E+03 -0.383086E-08 0.100000E-04    0.988173E+00
  16    0.476945E-05    0.461687E+03 -0.103305E-07 0.100000E-04    0.996371E+00
  17    0.377230E-05    0.441343E+03 -0.854734E-08 0.100000E-04    0.996796E+00
  18    0.480728E-05    0.430091E+03 -0.111773E-07 0.100000E-04    0.993803E+00
  19   -0.139526E-04    0.421580E+03  0.330960E-07 0.100000E-04    0.997329E+00
  20    0.847849E-05    0.407516E+03 -0.208053E-07 0.100000E-04    0.998806E+00
  21    0.728672E-05    0.397657E+03 -0.183242E-07 0.100000E-04    0.999855E+00
  22   -0.507230E-05    0.388846E+03  0.130445E-07 0.100000E-04    0.996298E+00
  23   -0.185540E-06    0.367560E+03  0.504789E-09 0.100000E-04    0.953815E+00
  24   -0.210544E-06    0.362223E+03  0.581255E-09 0.100000E-04    0.976425E+00
  25   -0.171568E-04    0.351232E+03  0.488476E-07 0.100000E-04    0.996352E+00
  26   -0.285904E-04    0.337395E+03  0.847386E-07 0.100000E-04    0.997566E+00
  27   -0.143531E-04    0.325342E+03  0.441168E-07 0.100000E-04    0.995911E+00
  28    0.809250E-05    0.321538E+03 -0.251681E-07 0.100000E-04    0.985520E+00
  29    0.370918E-05    0.319828E+03 -0.115974E-07 0.100000E-04    0.987599E+00
  30   -0.232204E-04    0.314056E+03  0.739372E-07 0.100000E-04    0.997464E+00
  31   -0.102264E-04    0.304499E+03  0.335843E-07 0.100000E-04    0.991186E+00
  32   -0.448254E-05    0.288148E+03  0.155564E-07 0.100000E-04    0.999247E+00
  33    0.975966E-05    0.279066E+03 -0.349726E-07 0.100000E-04    0.999214E+00
  34    0.718909E-05    0.270723E+03 -0.265552E-07 0.100000E-04    0.995513E+00
  35    0.228350E-04    0.266422E+03 -0.857098E-07 0.100000E-04    0.998381E+00
  36    0.129390E-04    0.263787E+03 -0.490510E-07 0.100000E-04    0.994226E+00
  37   -0.146911E-04    0.258918E+03  0.567401E-07 0.100000E-04    0.995549E+00
  38   -0.287901E-05    0.253801E+03  0.113436E-07 0.100000E-04    0.995821E+00
  39   -0.171790E-04    0.242504E+03  0.708403E-07 0.100000E-04    0.998393E+00
  40    0.125845E-05    0.237780E+03 -0.529251E-08 0.100000E-04    0.854449E+00
  41   -0.306094E-04    0.235620E+03  0.129910E-06 0.100000E-04    0.994859E+00
  42   -0.866203E-05    0.228662E+03  0.378814E-07 0.100000E-04    0.996166E+00
  43    0.980544E-05    0.221272E+03 -0.443139E-07 0.100000E-04    0.991261E+00
  44   -0.181225E-04    0.213350E+03  0.849427E-07 0.100000E-04    0.993155E+00
  45    0.142177E-05    0.212003E+03 -0.670636E-08 0.100000E-04    0.951085E+00
  46    0.183123E-04    0.207764E+03 -0.881398E-07 0.100000E-04    0.994121E+00
  47   -0.281339E-04    0.203437E+03  0.138293E-06 0.100000E-04    0.997804E+00
  48    0.303509E-05    0.197818E+03 -0.153428E-07 0.100000E-04    0.987487E+00
  49   -0.201048E-04    0.195428E+03  0.102876E-06 0.100000E-04    0.994496E+00
  50   -0.908820E-05    0.191582E+03  0.474377E-07 0.100000E-04    0.995981E+00
  51   -0.132094E-04    0.184826E+03  0.714697E-07 0.100000E-04    0.993265E+00
  52    0.170852E-05    0.175718E+03 -0.972309E-08 0.100000E-04    0.977544E+00
  53   -0.107304E-04    0.171527E+03  0.625580E-07 0.100000E-04    0.995225E+00
  54   -0.126475E-04    0.167590E+03  0.754667E-07 0.100000E-04    0.990852E+00
  55   -0.189181E-04    0.165351E+03  0.114412E-06 0.100000E-04    0.998559E+00
  56   -0.590656E-05    0.159526E+03  0.370256E-07 0.100000E-04    0.991517E+00
  57    0.701062E-05    0.153710E+03 -0.456094E-07 0.100000E-04    0.989245E+00
  58   -0.205920E-04    0.151079E+03  0.136299E-06 0.100000E-04    0.996658E+00
  59    0.234799E-05    0.149014E+03 -0.157569E-07 0.100000E-04    0.989343E+00
  60    0.190739E-04    0.143138E+03 -0.133255E-06 0.100000E-04    0.994289E+00
  61    0.200910E-04    0.137010E+03 -0.146640E-06 0.100000E-04    0.995138E+00
  62    0.309399E-04    0.135612E+03 -0.228151E-06 0.100000E-04    0.999284E+00
  63    0.221549E-04    0.130759E+03 -0.169433E-06 0.100000E-04    0.999536E+00
  64    0.177714E-04    0.127834E+03 -0.139020E-06 0.100000E-04    0.990592E+00
  65    0.569860E-05    0.126058E+03 -0.452063E-07 0.100000E-04    0.965602E+00
  66    0.253901E-04    0.125543E+03 -0.202242E-06 0.100000E-04    0.998338E+00
  67   -0.453339E-05    0.119639E+03  0.378922E-07 0.100000E-04    0.988825E+00
  68   -0.837581E-05    0.118018E+03  0.709703E-07 0.100000E-04    0.998020E+00
  69    0.411225E-05    0.116922E+03 -0.351709E-07 0.100000E-04    0.996649E+00
  70    0.212564E-04    0.111365E+03 -0.190872E-06 0.100000E-04    0.994535E+00
  71   -0.415417E-05    0.108392E+03  0.383254E-07 0.100000E-04    0.997181E+00
  72    0.457495E-04    0.104927E+03 -0.436013E-06 0.100000E-04    0.997139E+00
  73   -0.229626E-04    0.103034E+03  0.222864E-06 0.100000E-04    0.995064E+00
  74    0.297513E-04    0.998716E+02 -0.297896E-06 0.100000E-04    0.998201E+00
  75   -0.529640E-04    0.963036E+02  0.549969E-06 0.100000E-04    0.992709E+00
  76   -0.258386E-04    0.950824E+02  0.271749E-06 0.100000E-04    0.994969E+00
  77   -0.617858E-04    0.922423E+02  0.669821E-06 0.100000E-04    0.998509E+00
  78   -0.488403E-06    0.903944E+02  0.540302E-08 0.100000E-04    0.974713E+00
  79    0.162937E-04    0.898037E+02 -0.181437E-06 0.100000E-04    0.983710E+00
  80   -0.194820E-04    0.848355E+02  0.229644E-06 0.100000E-04    0.994649E+00
  81   -0.189409E-04    0.809161E+02  0.234081E-06 0.100000E-04    0.998408E+00
  82   -0.536960E-05    0.796735E+02  0.673951E-07 0.100000E-04    0.969915E+00
  83    0.144782E-04    0.783649E+02 -0.184754E-06 0.100000E-04    0.991363E+00
  84   -0.318626E-04    0.727305E+02  0.438091E-06 0.100000E-04    0.997412E+00
  85    0.413743E-04    0.719659E+02 -0.574914E-06 0.100000E-04    0.999369E+00
  86   -0.985969E-05    0.682986E+02  0.144362E-06 0.100000E-04    0.970144E+00
  87    0.393757E-04    0.672437E+02 -0.585567E-06 0.100000E-04    0.995773E+00
  88    0.154793E-05    0.633335E+02 -0.244409E-07 0.100000E-04    0.983276E+00
  89    0.495130E-04    0.606607E+02 -0.816229E-06 0.100000E-04    0.996863E+00
  90   -0.250003E-04    0.596860E+02  0.418864E-06 0.100000E-04    0.999114E+00
  91   -0.259901E-06    0.590157E+02  0.440394E-08 0.100000E-04    0.805495E+00
  92   -0.576824E-04    0.559935E+02  0.103016E-05 0.100000E-04    0.996528E+00
  93    0.356151E-04    0.529888E+02 -0.672125E-06 0.100000E-04    0.994748E+00
  94    0.398850E-04    0.522448E+02 -0.763426E-06 0.100000E-04    0.998877E+00
  95    0.292049E-04    0.501490E+02 -0.582364E-06 0.100000E-04    0.992349E+00
  96    0.104390E-04    0.477448E+02 -0.218642E-06 0.100000E-04    0.998678E+00
  97    0.376022E-04    0.429716E+02 -0.875047E-06 0.100000E-04    0.998927E+00
  98    0.340253E-04    0.402536E+02 -0.845274E-06 0.100000E-04    0.995229E+00
  99    0.108374E-03    0.371922E+02 -0.291390E-05 0.100000E-04    0.998020E+00
 100   -0.111851E-03    0.359504E+02  0.311124E-05 0.100000E-04    0.998943E+00
 101    0.846850E-05    0.352430E+02 -0.240289E-06 0.100000E-04    0.980386E+00
 102    0.908561E-04    0.288432E+02 -0.315000E-05 0.100000E-04    0.999220E+00
 103    0.659564E-05    0.287115E+02 -0.229721E-06 0.100000E-04    0.925839E+00
 104   -0.656430E-04    0.279417E+02  0.234928E-05 0.100000E-04    0.998126E+00
 105   -0.489301E-04    0.229209E+02  0.213474E-05 0.100000E-04    0.993651E+00
 106    0.733494E-05    0.216908E+02 -0.338160E-06 0.100000E-04    0.945122E+00
 107    0.122048E-03    0.201403E+02 -0.605986E-05 0.100000E-04    0.996974E+00
 108   -0.236338E-04    0.168253E+02  0.140466E-05 0.100000E-04    0.983528E+00
 109   -0.769996E-04    0.137735E+02  0.559043E-05 0.100000E-04    0.994670E+00
 110    0.297258E-02    0.122723E+02 -0.100000E-04 0.100000E-04    0.567824E+00
 111   -0.477954E-02    0.984161E+01  0.100000E-04 0.100000E-04    0.887665E+00
 112    0.276064E-02    0.936821E+01 -0.109000E-04 0.109000E-04    0.902220E-01
 113    0.167040E-01    0.741180E+01 -0.121682E-04 0.121682E-04    0.256340E+00
 114    0.560558E+00    0.446988E+01  0.400000E-03 0.400000E-03    0.394921E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1234952149    

 Beginning of optimization cycle  277.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3693355656
 potential> RMS force:                                               0.0526944625   |gradient|=.5626228993    
 Eigenvalues of the Hessian matrix:
   730.17795    673.08438    626.31442    604.44681    588.76381    569.23940 
   566.49831    481.64973    466.25472    461.67908    441.34320    430.08315 
   421.58507    407.52509    397.65178    388.84667    367.56561    362.21351 
   351.22414    337.36855    325.35187    321.53680    319.83820    314.02770 
   304.48996    288.15501    279.06060    270.72184    266.43024    263.79593 
   258.92926    253.80311    242.49887    237.78375    235.61332    228.66004 
   221.25200    213.35790    212.00812    207.75464    203.43934    197.81310 
   195.42527    191.58090    184.81567    175.70554    171.53311    167.58793 
   165.34585    159.51750    153.71395    151.08285    149.00870    143.14085 
   137.01096    135.61607    130.75731    127.83726    126.05762    125.54542 
   119.64109    118.01944    116.92397    111.35817    108.38198    104.92367 
   103.03570     99.86947     96.29505     95.08041     92.25478     90.39323 
    89.80605     84.83821     80.91622     79.67617     78.36343     72.73088 
    71.97031     68.29834     67.23182     63.33207     60.65079     59.68681 
    59.01717     55.99457     52.98471     52.24548     50.14753     47.74178 
    42.96928     40.25602     37.19601     35.95526     35.23211     28.84260 
    28.71066     27.93343     22.92130     21.68596     20.14518     16.82527 
    13.77368     12.27162      9.84144      9.35992      7.40806      4.46588 
overlap for current and previous eigenvector    109 is         0.9999994968
overlap for current and previous eigenvector    110 is         0.9999993839
overlap for current and previous eigenvector    111 is        -0.9999547966
overlap for current and previous eigenvector    112 is         0.9999504227
overlap for current and previous eigenvector    113 is         0.9999952394
overlap for current and previous eigenvector    114 is         0.9999996831
J1,K1,R1,R2,RAT=   7   7   -0.9983445318E-02     2.009814705        0.9900165547    
FOB,PFOB,DIAG,PSTEP=   -0.2781723189E-05   -0.2754224222E-05     730.1779540        0.3772308655E-08
J1,K1,R1,R2,RAT=   8   8   -0.3286256105E-03     2.000297245        0.9996713744    
FOB,PFOB,DIAG,PSTEP=   -0.3695782229E-05   -0.3694568081E-05     673.0843819        0.5489097875E-08
J1,K1,R1,R2,RAT=   9   9    0.5557149780E-01     1.944387017        0.9443870174    
FOB,PFOB,DIAG,PSTEP=    0.3116710966E-06    0.3300106639E-06     626.3144198       -0.5269198645E-09
J1,K1,R1,R2,RAT=  10  10   -0.1203889702E-01     2.012050240        0.9879611030    
FOB,PFOB,DIAG,PSTEP=    0.1802162678E-05    0.1780724837E-05     604.4468090       -0.2946023888E-08
J1,K1,R1,R2,RAT=  11  11    0.1930183752E-02     1.998100125        0.9980698162    
FOB,PFOB,DIAG,PSTEP=   -0.1219415189E-05   -0.1221773401E-05     588.7638070        0.2075118870E-08
J1,K1,R1,R2,RAT= 109 109   -0.2966778342E-02     2.002937667        0.9970332217    
FOB,PFOB,DIAG,PSTEP=   -0.7722806794E-04   -0.7699962380E-04     13.77368000        0.5590426422E-05
J1,K1,R1,R2,RAT= 110 110   -0.4402378288         48.88666953        0.5597621712    
FOB,PFOB,DIAG,PSTEP=    0.3026604132E-02    0.2972579839E-02     12.27161521       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     97.01620704        0.1146849758        0.8853150242    
FOB,PFOB,DIAG,PSTEP=    0.4768252588E-02   -0.4779539241E-02     9.841440023        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7448374212         54.86275384        0.2551625788    
FOB,PFOB,DIAG,PSTEP=    0.2836628883E-02    0.2760638275E-02     9.359915653       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9414109015         371.5537984        0.5858909850E-01
FOB,PFOB,DIAG,PSTEP=    0.1678884672E-01    0.1670398548E-01     7.408061863       -0.1216817838E-04
J1,K1,R1,R2,RAT= 114 114    0.9960194078        -628.5956555        0.3980592247E-02
FOB,PFOB,DIAG,PSTEP=    0.5623367462        0.5605575031         4.465884545        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002      0.00003      0.00002      0.00002      0.00001      0.00003 
    -0.00000     -0.00001      0.00000      0.00002      0.00000      0.00005 
    -0.00002     -0.00003      0.00005     -0.00003     -0.00006     -0.00000 
     0.00002     -0.00002     -0.00002     -0.00001      0.00001     -0.00003 
    -0.00004      0.00001     -0.00004      0.00000      0.00005     -0.00003 
    -0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
     0.00004     -0.00003     -0.00011      0.00011      0.00001      0.00009 
     0.00001     -0.00007     -0.00005      0.00001      0.00012     -0.00002 
    -0.00008      0.00303      0.00477      0.00284      0.01679      0.56234 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4326181392
 Log product of positive Hessian eigenvalues =          520.0025541109
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4658845453
 Unscaled step for mode    7=        0.0000000038
 Unscaled step for mode    8=        0.0000000055
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000001
 Unscaled step for mode   13=        0.0000000056
 Unscaled step for mode   14=        0.0000000073
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000104
 Unscaled step for mode   17=       -0.0000000086
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000332
 Unscaled step for mode   20=       -0.0000000208
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000132
 Unscaled step for mode   23=        0.0000000005
 Unscaled step for mode   24=        0.0000000007
 Unscaled step for mode   25=        0.0000000490
 Unscaled step for mode   26=        0.0000000850
 Unscaled step for mode   27=        0.0000000442
 Unscaled step for mode   28=       -0.0000000255
 Unscaled step for mode   29=       -0.0000000119
 Unscaled step for mode   30=        0.0000000740
 Unscaled step for mode   31=        0.0000000338
 Unscaled step for mode   32=        0.0000000157
 Unscaled step for mode   33=       -0.0000000352
 Unscaled step for mode   34=       -0.0000000268
 Unscaled step for mode   35=       -0.0000000858
 Unscaled step for mode   36=       -0.0000000494
 Unscaled step for mode   37=        0.0000000570
 Unscaled step for mode   38=        0.0000000112
 Unscaled step for mode   39=        0.0000000710
 Unscaled step for mode   40=       -0.0000000042
 Unscaled step for mode   41=        0.0000001307
 Unscaled step for mode   42=        0.0000000381
 Unscaled step for mode   43=       -0.0000000446
 Unscaled step for mode   44=        0.0000000854
 Unscaled step for mode   45=       -0.0000000069
 Unscaled step for mode   46=       -0.0000000886
 Unscaled step for mode   47=        0.0000001385
 Unscaled step for mode   48=       -0.0000000155
 Unscaled step for mode   49=        0.0000001031
 Unscaled step for mode   50=        0.0000000478
 Unscaled step for mode   51=        0.0000000716
 Unscaled step for mode   52=        0.0000000098
 Unscaled step for mode   53=       -0.0000000627
 Unscaled step for mode   54=       -0.0000000758
 Unscaled step for mode   55=        0.0000001146
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=       -0.0000000458
 Unscaled step for mode   58=        0.0000001368
 Unscaled step for mode   59=       -0.0000000150
 Unscaled step for mode   60=       -0.0000001333
 Unscaled step for mode   61=        0.0000001478
 Unscaled step for mode   62=       -0.0000002284
 Unscaled step for mode   63=       -0.0000001701
 Unscaled step for mode   64=       -0.0000001399
 Unscaled step for mode   65=       -0.0000000467
 Unscaled step for mode   66=       -0.0000002026
 Unscaled step for mode   67=        0.0000000381
 Unscaled step for mode   68=        0.0000000712
 Unscaled step for mode   69=       -0.0000000356
 Unscaled step for mode   70=       -0.0000001913
 Unscaled step for mode   71=       -0.0000000387
 Unscaled step for mode   72=       -0.0000004388
 Unscaled step for mode   73=        0.0000002236
 Unscaled step for mode   74=        0.0000002985
 Unscaled step for mode   75=       -0.0000005536
 Unscaled step for mode   76=        0.0000002696
 Unscaled step for mode   77=        0.0000006694
 Unscaled step for mode   78=        0.0000000063
 Unscaled step for mode   79=       -0.0000001807
 Unscaled step for mode   80=        0.0000002297
 Unscaled step for mode   81=        0.0000002350
 Unscaled step for mode   82=        0.0000000664
 Unscaled step for mode   83=       -0.0000001840
 Unscaled step for mode   84=        0.0000004409
 Unscaled step for mode   85=        0.0000005771
 Unscaled step for mode   86=       -0.0000001406
 Unscaled step for mode   87=        0.0000005867
 Unscaled step for mode   88=       -0.0000000255
 Unscaled step for mode   89=       -0.0000008181
 Unscaled step for mode   90=        0.0000004229
 Unscaled step for mode   91=        0.0000000053
 Unscaled step for mode   92=        0.0000010302
 Unscaled step for mode   93=       -0.0000006725
 Unscaled step for mode   94=       -0.0000007679
 Unscaled step for mode   95=       -0.0000005832
 Unscaled step for mode   96=       -0.0000002168
 Unscaled step for mode   97=       -0.0000008794
 Unscaled step for mode   98=        0.0000008495
 Unscaled step for mode   99=        0.0000029283
 Unscaled step for mode  100=       -0.0000031032
 Unscaled step for mode  101=       -0.0000002514
 Unscaled step for mode  102=       -0.0000031637
 Unscaled step for mode  103=       -0.0000002133
 Unscaled step for mode  104=        0.0000023787
 Unscaled step for mode  105=        0.0000021361
 Unscaled step for mode  106=       -0.0000003724
 Unscaled step for mode  107=       -0.0000060307
 Unscaled step for mode  108=        0.0000013717
 Unscaled step for mode  109=        0.0000056069
 Unscaled step for mode  110=       -0.0002466345
 Unscaled step for mode  111=       -0.0004845075
 Unscaled step for mode  112=       -0.0003030613
 Unscaled step for mode  113=       -0.0022662824
 Unscaled step for mode  114=        0.1239827532
 Largest modulus ratio of non-zero e/values=           163.5013056    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.565520E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.771518E-15    0.100725E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.266346E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.125204E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.129974E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.124252E-14    0.973809E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.278172E-05    0.730178E+03  0.380965E-08 0.100000E-04    0.990017E+00
   8   -0.369578E-05    0.673084E+03  0.549082E-08 0.100000E-04    0.999671E+00
   9    0.311671E-06    0.626314E+03 -0.497627E-09 0.100000E-04    0.944387E+00
  10    0.180216E-05    0.604447E+03 -0.298151E-08 0.100000E-04    0.987961E+00
  11   -0.121942E-05    0.588764E+03  0.207114E-08 0.100000E-04    0.998070E+00
  12   -0.697858E-07    0.569239E+03  0.122595E-09 0.109000E-04    0.428691E-01
  13   -0.317987E-05    0.566498E+03  0.561320E-08 0.100000E-04    0.994913E+00
  14   -0.351659E-05    0.481650E+03  0.730114E-08 0.100000E-04    0.993465E+00
  15    0.176467E-05    0.466255E+03 -0.378478E-08 0.100000E-04    0.987923E+00
  16    0.480100E-05    0.461679E+03 -0.103990E-07 0.100000E-04    0.993385E+00
  17    0.379461E-05    0.441343E+03 -0.859787E-08 0.100000E-04    0.994087E+00
  18    0.479243E-05    0.430083E+03 -0.111430E-07 0.100000E-04    0.996912E+00
  19   -0.140032E-04    0.421585E+03  0.332156E-07 0.100000E-04    0.996376E+00
  20    0.846991E-05    0.407525E+03 -0.207838E-07 0.100000E-04    0.998944E+00
  21    0.729272E-05    0.397652E+03 -0.183395E-07 0.100000E-04    0.999178E+00
  22   -0.513059E-05    0.388847E+03  0.131944E-07 0.100000E-04    0.988509E+00
  23   -0.175101E-06    0.367566E+03  0.476379E-09 0.100000E-04    0.943705E+00
  24   -0.250007E-06    0.362214E+03  0.690220E-09 0.100000E-04    0.812562E+00
  25   -0.171998E-04    0.351224E+03  0.489711E-07 0.100000E-04    0.997492E+00
  26   -0.286904E-04    0.337369E+03  0.850416E-07 0.100000E-04    0.996504E+00
  27   -0.143864E-04    0.325352E+03  0.442181E-07 0.100000E-04    0.997675E+00
  28    0.821193E-05    0.321537E+03 -0.255396E-07 0.100000E-04    0.985241E+00
  29    0.380220E-05    0.319838E+03 -0.118879E-07 0.100000E-04    0.974923E+00
  30   -0.232441E-04    0.314028E+03  0.740192E-07 0.100000E-04    0.998980E+00
  31   -0.102773E-04    0.304490E+03  0.337526E-07 0.100000E-04    0.995016E+00
  32   -0.453607E-05    0.288155E+03  0.157418E-07 0.100000E-04    0.988058E+00
  33    0.982639E-05    0.279061E+03 -0.352124E-07 0.100000E-04    0.993162E+00
  34    0.726095E-05    0.270722E+03 -0.268207E-07 0.100000E-04    0.990004E+00
  35    0.228485E-04    0.266430E+03 -0.857580E-07 0.100000E-04    0.999407E+00
  36    0.130336E-04    0.263796E+03 -0.494079E-07 0.100000E-04    0.992690E+00
  37   -0.147524E-04    0.258929E+03  0.569747E-07 0.100000E-04    0.995824E+00
  38   -0.284239E-05    0.253803E+03  0.111992E-07 0.100000E-04    0.987261E+00
  39   -0.172287E-04    0.242499E+03  0.710467E-07 0.100000E-04    0.997108E+00
  40    0.100373E-05    0.237784E+03 -0.422120E-08 0.100000E-04    0.797561E+00
  41   -0.307972E-04    0.235613E+03  0.130711E-06 0.100000E-04    0.993865E+00
  42   -0.872108E-05    0.228660E+03  0.381399E-07 0.100000E-04    0.993182E+00
  43    0.985725E-05    0.221252E+03 -0.445522E-07 0.100000E-04    0.994715E+00
  44   -0.182192E-04    0.213358E+03  0.853924E-07 0.100000E-04    0.994670E+00
  45    0.145861E-05    0.212008E+03 -0.687996E-08 0.100000E-04    0.974091E+00
  46    0.183994E-04    0.207755E+03 -0.885633E-07 0.100000E-04    0.995241E+00
  47   -0.281731E-04    0.203439E+03  0.138484E-06 0.100000E-04    0.998608E+00
  48    0.305915E-05    0.197813E+03 -0.154649E-07 0.100000E-04    0.992072E+00
  49   -0.201545E-04    0.195425E+03  0.103131E-06 0.100000E-04    0.997527E+00
  50   -0.916292E-05    0.191581E+03  0.478279E-07 0.100000E-04    0.991778E+00
  51   -0.132243E-04    0.184816E+03  0.715538E-07 0.100000E-04    0.998878E+00
  52   -0.171963E-05    0.175706E+03  0.978702E-08 0.100000E-04    0.993497E+00
  53    0.107567E-04    0.171533E+03 -0.627089E-07 0.100000E-04    0.997553E+00
  54    0.126974E-04    0.167588E+03 -0.757653E-07 0.100000E-04    0.996054E+00
  55   -0.189441E-04    0.165346E+03  0.114572E-06 0.100000E-04    0.998629E+00
  56   -0.595771E-05    0.159518E+03  0.373483E-07 0.100000E-04    0.991341E+00
  57    0.704466E-05    0.153714E+03 -0.458297E-07 0.100000E-04    0.995144E+00
  58   -0.206640E-04    0.151083E+03  0.136773E-06 0.100000E-04    0.996502E+00
  59    0.224031E-05    0.149009E+03 -0.150348E-07 0.100000E-04    0.954137E+00
  60    0.190874E-04    0.143141E+03 -0.133347E-06 0.100000E-04    0.999296E+00
  61   -0.202481E-04    0.137011E+03  0.147785E-06 0.100000E-04    0.992181E+00
  62    0.309782E-04    0.135616E+03 -0.228426E-06 0.100000E-04    0.998761E+00
  63    0.222378E-04    0.130757E+03 -0.170069E-06 0.100000E-04    0.996256E+00
  64    0.178895E-04    0.127837E+03 -0.139939E-06 0.100000E-04    0.993360E+00
  65    0.588746E-05    0.126058E+03 -0.467045E-07 0.100000E-04    0.966859E+00
  66    0.254400E-04    0.125545E+03 -0.202636E-06 0.100000E-04    0.998032E+00
  67   -0.455352E-05    0.119641E+03  0.380598E-07 0.100000E-04    0.995561E+00
  68   -0.839832E-05    0.118019E+03  0.711604E-07 0.100000E-04    0.997313E+00
  69    0.416096E-05    0.116924E+03 -0.355869E-07 0.100000E-04    0.988155E+00
  70    0.213013E-04    0.111358E+03 -0.191286E-06 0.100000E-04    0.997889E+00
  71    0.419403E-05    0.108382E+03 -0.386967E-07 0.100000E-04    0.990404E+00
  72    0.460415E-04    0.104924E+03 -0.438809E-06 0.100000E-04    0.993617E+00
  73   -0.230409E-04    0.103036E+03  0.223621E-06 0.100000E-04    0.996591E+00
  74   -0.298065E-04    0.998695E+02  0.298455E-06 0.100000E-04    0.998145E+00
  75    0.533065E-04    0.962951E+02 -0.553575E-06 0.100000E-04    0.993531E+00
  76   -0.256375E-04    0.950804E+02  0.269641E-06 0.100000E-04    0.992220E+00
  77   -0.617571E-04    0.922548E+02  0.669419E-06 0.100000E-04    0.999265E+00
  78   -0.569856E-06    0.903932E+02  0.630419E-08 0.100000E-04    0.833225E+00
  79    0.162255E-04    0.898061E+02 -0.180672E-06 0.100000E-04    0.995759E+00
  80   -0.194899E-04    0.848382E+02  0.229730E-06 0.100000E-04    0.999594E+00
  81   -0.190162E-04    0.809162E+02  0.235011E-06 0.100000E-04    0.996023E+00
  82   -0.529139E-05    0.796762E+02  0.664112E-07 0.100000E-04    0.985367E+00
  83    0.144184E-04    0.783634E+02 -0.183993E-06 0.100000E-04    0.995865E+00
  84   -0.320657E-04    0.727309E+02  0.440881E-06 0.100000E-04    0.993627E+00
  85   -0.415365E-04    0.719703E+02  0.577134E-06 0.100000E-04    0.996078E+00
  86    0.960003E-05    0.682983E+02 -0.140560E-06 0.100000E-04    0.973665E+00
  87   -0.394473E-04    0.672318E+02  0.586735E-06 0.100000E-04    0.998182E+00
  88    0.161504E-05    0.633321E+02 -0.255012E-07 0.100000E-04    0.956640E+00
  89    0.496172E-04    0.606508E+02 -0.818080E-06 0.100000E-04    0.997896E+00
  90   -0.252421E-04    0.596868E+02  0.422909E-06 0.100000E-04    0.990328E+00
  91   -0.313892E-06    0.590172E+02  0.531865E-08 0.100000E-04    0.792272E+00
  92   -0.576852E-04    0.559946E+02  0.103019E-05 0.100000E-04    0.999951E+00
  93    0.356300E-04    0.529847E+02 -0.672458E-06 0.100000E-04    0.999582E+00
  94    0.401194E-04    0.522455E+02 -0.767901E-06 0.100000E-04    0.994125E+00
  95    0.292477E-04    0.501475E+02 -0.583232E-06 0.100000E-04    0.998537E+00
  96    0.103507E-04    0.477418E+02 -0.216806E-06 0.100000E-04    0.991537E+00
  97    0.377860E-04    0.429693E+02 -0.879372E-06 0.100000E-04    0.995111E+00
  98   -0.341978E-04    0.402560E+02  0.849507E-06 0.100000E-04    0.994932E+00
  99   -0.108922E-03    0.371960E+02  0.292833E-05 0.100000E-04    0.994943E+00
 100    0.111576E-03    0.359553E+02 -0.310320E-05 0.100000E-04    0.997279E+00
 101    0.885771E-05    0.352321E+02 -0.251410E-06 0.100000E-04    0.954027E+00
 102    0.912484E-04    0.288426E+02 -0.316367E-05 0.100000E-04    0.995682E+00
 103    0.612513E-05    0.287107E+02 -0.213340E-06 0.100000E-04    0.928662E+00
 104   -0.664456E-04    0.279334E+02  0.237871E-05 0.100000E-04    0.987770E+00
 105   -0.489616E-04    0.229213E+02  0.213608E-05 0.100000E-04    0.999356E+00
 106    0.807501E-05    0.216860E+02 -0.372361E-06 0.100000E-04    0.899082E+00
 107    0.121490E-03    0.201452E+02 -0.603073E-05 0.100000E-04    0.994951E+00
 108   -0.230795E-04    0.168253E+02  0.137172E-05 0.100000E-04    0.976546E+00
 109   -0.772281E-04    0.137737E+02  0.560693E-05 0.100000E-04    0.997033E+00
 110    0.302660E-02    0.122716E+02 -0.100000E-04 0.100000E-04    0.559762E+00
 111    0.476825E-02    0.984144E+01 -0.100000E-04 0.100000E-04    0.885315E+00
 112    0.283663E-02    0.935992E+01 -0.100000E-04 0.100000E-04    0.255163E+00
 113    0.167888E-01    0.740806E+01 -0.132633E-04 0.132633E-04    0.585891E-01
 114    0.562337E+00    0.446588E+01  0.400000E-03 0.400000E-03    0.398059E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1239827532    

 Beginning of optimization cycle  278.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3691106020
 potential> RMS force:                                               0.0528611390   |gradient|=.5644025177    
 Eigenvalues of the Hessian matrix:
   730.23958    673.09476    626.32731    604.44350    588.75473    569.28150 
   566.50858    481.67342    466.23143    461.67131    441.34369    430.07505 
   421.59043    407.53416    397.64690    388.84703    367.57132    362.20430 
   351.21665    337.34216    325.36150    321.53527    319.84879    313.99982 
   304.48116    288.16248    279.05516    270.72071    266.43838    263.80505 
   258.94041    253.80562    242.49405    237.78822    235.60689    228.65819 
   221.23166    213.36554    212.01322    207.74532    203.44212    197.80812 
   195.42291    191.58020    184.80540    175.69308    171.53924    167.58611 
   165.34105    159.50851    153.71814    151.08663    149.00372    143.14339 
   137.01225    135.62062    130.75558    127.84076    126.05755    125.54809 
   119.64296    118.02038    116.92605    111.35163    108.37183    104.92045 
   103.03703     99.86733     96.28653     95.07833     92.26730     90.39221 
    89.80823     84.84095     80.91631     79.67889     78.36198     72.73126 
    71.97466     68.29804     67.21988     63.33058     60.64081     59.68765 
    59.01862     55.99561     52.98062     52.24615     50.14609     47.73875 
    42.96700     40.25845     37.19984     35.95998     35.22116     28.84196 
    28.70979     27.92512     22.92181     21.68114     20.15000     16.82526 
    13.77388     12.27099      9.84136      9.35153      7.40427      4.46187 
overlap for current and previous eigenvector    109 is         0.9999994966
overlap for current and previous eigenvector    110 is         0.9999993860
overlap for current and previous eigenvector    111 is         0.9999575247
overlap for current and previous eigenvector    112 is         0.9999530584
overlap for current and previous eigenvector    113 is         0.9999951712
overlap for current and previous eigenvector    114 is         0.9999996855
J1,K1,R1,R2,RAT=   7   7   -0.8651660316E-02     2.008482874        0.9913483397    
FOB,PFOB,DIAG,PSTEP=   -0.2805791744E-05   -0.2781723189E-05     730.2395811        0.3809651022E-08
J1,K1,R1,R2,RAT=   8   8   -0.9262673932E-02     2.009231833        0.9907373261    
FOB,PFOB,DIAG,PSTEP=   -0.3730015583E-05   -0.3695782229E-05     673.0947612        0.5490815607E-08
J1,K1,R1,R2,RAT=   9   9   -0.1768722546E-01     2.017646076        0.9823127745    
FOB,PFOB,DIAG,PSTEP=    0.3171838070E-06    0.3116710966E-06     626.3273063       -0.4976272088E-09
J1,K1,R1,R2,RAT=  10  10    0.6539157192E-02     1.993471806        0.9934608428    
FOB,PFOB,DIAG,PSTEP=    0.1790378118E-05    0.1802162678E-05     604.4434957       -0.2981507474E-08
J1,K1,R1,R2,RAT=  11  11   -0.9569551172E-02     2.009600376        0.9904304488    
FOB,PFOB,DIAG,PSTEP=   -0.1231084266E-05   -0.1219415189E-05     588.7547327        0.2071144957E-08
J1,K1,R1,R2,RAT= 109 109    0.5364299594E-02     1.994606417        0.9946064168    
FOB,PFOB,DIAG,PSTEP=   -0.7681378739E-04   -0.7722806794E-04     13.77388167        0.5606930607E-05
J1,K1,R1,R2,RAT= 110 110   -0.4400058653         49.76942659        0.5599941347    
FOB,PFOB,DIAG,PSTEP=    0.3080597207E-02    0.3026604132E-02     12.27098996       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1327260551         96.76960447        0.8672739449    
FOB,PFOB,DIAG,PSTEP=    0.4755190542E-02    0.4768252588E-02     9.841357916       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8904728606         61.55712529        0.1095271394    
FOB,PFOB,DIAG,PSTEP=    0.2919901684E-02    0.2836628883E-02     9.351525985       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7754252307         342.6890072        0.2245747693    
FOB,PFOB,DIAG,PSTEP=    0.1686499751E-01    0.1678884672E-01     7.404273308       -0.1326331444E-04
J1,K1,R1,R2,RAT= 114 114    0.9960177724        -631.1535418        0.3982227643E-02
FOB,PFOB,DIAG,PSTEP=    0.5641143886        0.5623367462         4.461874410        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
    -0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00002     -0.00003     -0.00002      0.00002     -0.00001      0.00003 
    -0.00000     -0.00001      0.00000     -0.00002     -0.00000      0.00005 
    -0.00002     -0.00003      0.00005      0.00003     -0.00006     -0.00000 
     0.00002      0.00002      0.00002      0.00001     -0.00001     -0.00003 
     0.00004      0.00001      0.00004      0.00000      0.00005      0.00003 
    -0.00000     -0.00006     -0.00004      0.00004      0.00003     -0.00001 
    -0.00004     -0.00003      0.00011      0.00011      0.00001     -0.00009 
    -0.00001      0.00007     -0.00005      0.00001      0.00012     -0.00002 
    -0.00008      0.00308      0.00476      0.00292      0.01686      0.56411 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4325119158
 Log product of positive Hessian eigenvalues =          519.9992735488
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4618744100
 Unscaled step for mode    7=        0.0000000038
 Unscaled step for mode    8=        0.0000000055
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000002
 Unscaled step for mode   13=        0.0000000057
 Unscaled step for mode   14=        0.0000000072
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000104
 Unscaled step for mode   17=       -0.0000000086
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000333
 Unscaled step for mode   20=       -0.0000000208
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000132
 Unscaled step for mode   23=        0.0000000005
 Unscaled step for mode   24=        0.0000000007
 Unscaled step for mode   25=        0.0000000492
 Unscaled step for mode   26=        0.0000000853
 Unscaled step for mode   27=        0.0000000444
 Unscaled step for mode   28=       -0.0000000259
 Unscaled step for mode   29=       -0.0000000120
 Unscaled step for mode   30=        0.0000000742
 Unscaled step for mode   31=        0.0000000340
 Unscaled step for mode   32=        0.0000000158
 Unscaled step for mode   33=       -0.0000000352
 Unscaled step for mode   34=       -0.0000000269
 Unscaled step for mode   35=       -0.0000000859
 Unscaled step for mode   36=       -0.0000000497
 Unscaled step for mode   37=        0.0000000572
 Unscaled step for mode   38=        0.0000000111
 Unscaled step for mode   39=        0.0000000712
 Unscaled step for mode   40=       -0.0000000033
 Unscaled step for mode   41=        0.0000001314
 Unscaled step for mode   42=        0.0000000383
 Unscaled step for mode   43=       -0.0000000449
 Unscaled step for mode   44=        0.0000000860
 Unscaled step for mode   45=       -0.0000000065
 Unscaled step for mode   46=       -0.0000000891
 Unscaled step for mode   47=        0.0000001388
 Unscaled step for mode   48=       -0.0000000157
 Unscaled step for mode   49=        0.0000001037
 Unscaled step for mode   50=        0.0000000476
 Unscaled step for mode   51=        0.0000000720
 Unscaled step for mode   52=        0.0000000100
 Unscaled step for mode   53=       -0.0000000630
 Unscaled step for mode   54=       -0.0000000764
 Unscaled step for mode   55=        0.0000001147
 Unscaled step for mode   56=        0.0000000370
 Unscaled step for mode   57=       -0.0000000463
 Unscaled step for mode   58=        0.0000001372
 Unscaled step for mode   59=        0.0000000149
 Unscaled step for mode   60=        0.0000001341
 Unscaled step for mode   61=       -0.0000001485
 Unscaled step for mode   62=        0.0000002283
 Unscaled step for mode   63=        0.0000001700
 Unscaled step for mode   64=       -0.0000001412
 Unscaled step for mode   65=        0.0000000483
 Unscaled step for mode   66=       -0.0000002023
 Unscaled step for mode   67=        0.0000000385
 Unscaled step for mode   68=        0.0000000713
 Unscaled step for mode   69=       -0.0000000357
 Unscaled step for mode   70=        0.0000001923
 Unscaled step for mode   71=        0.0000000388
 Unscaled step for mode   72=       -0.0000004401
 Unscaled step for mode   73=        0.0000002247
 Unscaled step for mode   74=        0.0000002979
 Unscaled step for mode   75=       -0.0000005576
 Unscaled step for mode   76=       -0.0000002681
 Unscaled step for mode   77=        0.0000006702
 Unscaled step for mode   78=        0.0000000061
 Unscaled step for mode   79=       -0.0000001777
 Unscaled step for mode   80=       -0.0000002309
 Unscaled step for mode   81=       -0.0000002354
 Unscaled step for mode   82=       -0.0000000643
 Unscaled step for mode   83=        0.0000001856
 Unscaled step for mode   84=        0.0000004420
 Unscaled step for mode   85=       -0.0000005774
 Unscaled step for mode   86=       -0.0000001362
 Unscaled step for mode   87=       -0.0000005892
 Unscaled step for mode   88=       -0.0000000259
 Unscaled step for mode   89=       -0.0000008207
 Unscaled step for mode   90=       -0.0000004234
 Unscaled step for mode   91=        0.0000000061
 Unscaled step for mode   92=        0.0000010337
 Unscaled step for mode   93=        0.0000006690
 Unscaled step for mode   94=       -0.0000007688
 Unscaled step for mode   95=       -0.0000005787
 Unscaled step for mode   96=        0.0000002170
 Unscaled step for mode   97=        0.0000008804
 Unscaled step for mode   98=        0.0000008535
 Unscaled step for mode   99=       -0.0000029337
 Unscaled step for mode  100=       -0.0000031002
 Unscaled step for mode  101=       -0.0000002561
 Unscaled step for mode  102=        0.0000031661
 Unscaled step for mode  103=        0.0000001950
 Unscaled step for mode  104=       -0.0000023752
 Unscaled step for mode  105=        0.0000021496
 Unscaled step for mode  106=       -0.0000003532
 Unscaled step for mode  107=       -0.0000060474
 Unscaled step for mode  108=        0.0000013478
 Unscaled step for mode  109=        0.0000055768
 Unscaled step for mode  110=       -0.0002510471
 Unscaled step for mode  111=       -0.0004831843
 Unscaled step for mode  112=       -0.0003122380
 Unscaled step for mode  113=       -0.0022777266
 Unscaled step for mode  114=        0.1244711256
 Largest modulus ratio of non-zero e/values=           163.6620653    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.837004E-16    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.133357E-15    0.100725E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.645859E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.151410E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.289699E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.128104E-14    0.973811E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.280579E-05    0.730240E+03  0.384229E-08 0.100000E-04    0.991348E+00
   8   -0.373002E-05    0.673095E+03  0.554159E-08 0.100000E-04    0.990737E+00
   9    0.317184E-06    0.626327E+03 -0.506419E-09 0.100000E-04    0.982313E+00
  10    0.179038E-05    0.604443E+03 -0.296203E-08 0.100000E-04    0.993461E+00
  11   -0.123108E-05    0.588755E+03  0.209100E-08 0.100000E-04    0.990430E+00
  12   -0.106595E-06    0.569282E+03  0.187244E-09 0.100000E-04    0.472586E+00
  13   -0.321352E-05    0.566509E+03  0.567249E-08 0.100000E-04    0.989419E+00
  14   -0.347841E-05    0.481673E+03  0.722151E-08 0.100000E-04    0.989044E+00
  15    0.178563E-05    0.466231E+03 -0.382992E-08 0.100000E-04    0.988124E+00
  16    0.481824E-05    0.461671E+03 -0.104365E-07 0.100000E-04    0.996409E+00
  17    0.380646E-05    0.441344E+03 -0.862470E-08 0.100000E-04    0.996878E+00
  18    0.482179E-05    0.430075E+03 -0.112115E-07 0.100000E-04    0.993875E+00
  19   -0.140405E-04    0.421590E+03  0.333037E-07 0.100000E-04    0.997334E+00
  20    0.845981E-05    0.407534E+03 -0.207585E-07 0.100000E-04    0.998763E+00
  21    0.729364E-05    0.397647E+03 -0.183420E-07 0.100000E-04    0.999873E+00
  22   -0.514934E-05    0.388847E+03  0.132426E-07 0.100000E-04    0.996345E+00
  23   -0.166261E-06    0.367571E+03  0.452322E-09 0.100000E-04    0.949484E+00
  24   -0.255469E-06    0.362204E+03  0.705317E-09 0.100000E-04    0.978152E+00
  25   -0.172623E-04    0.351217E+03  0.491501E-07 0.100000E-04    0.996368E+00
  26   -0.287595E-04    0.337342E+03  0.852532E-07 0.100000E-04    0.997590E+00
  27   -0.144443E-04    0.325361E+03  0.443947E-07 0.100000E-04    0.995977E+00
  28    0.832732E-05    0.321535E+03 -0.258986E-07 0.100000E-04    0.985948E+00
  29    0.384967E-05    0.319849E+03 -0.120359E-07 0.100000E-04    0.987516E+00
  30   -0.233012E-04    0.314000E+03  0.742076E-07 0.100000E-04    0.997543E+00
  31   -0.103672E-04    0.304481E+03  0.340486E-07 0.100000E-04    0.991261E+00
  32   -0.453979E-05    0.288162E+03  0.157543E-07 0.100000E-04    0.999181E+00
  33    0.983445E-05    0.279055E+03 -0.352419E-07 0.100000E-04    0.999180E+00
  34    0.729356E-05    0.270721E+03 -0.269413E-07 0.100000E-04    0.995510E+00
  35    0.228844E-04    0.266438E+03 -0.858899E-07 0.100000E-04    0.998431E+00
  36    0.131071E-04    0.263805E+03 -0.496849E-07 0.100000E-04    0.994358E+00
  37   -0.148175E-04    0.258940E+03  0.572237E-07 0.100000E-04    0.995586E+00
  38   -0.282925E-05    0.253806E+03  0.111473E-07 0.100000E-04    0.995356E+00
  39   -0.172567E-04    0.242494E+03  0.711633E-07 0.100000E-04    0.998378E+00
  40    0.788977E-06    0.237788E+03 -0.331798E-08 0.100000E-04    0.786010E+00
  41   -0.309501E-04    0.235607E+03  0.131363E-06 0.100000E-04    0.995035E+00
  42   -0.875446E-05    0.228658E+03  0.382862E-07 0.100000E-04    0.996173E+00
  43    0.994279E-05    0.221232E+03 -0.449429E-07 0.100000E-04    0.991322E+00
  44   -0.183416E-04    0.213366E+03  0.859634E-07 0.100000E-04    0.993278E+00
  45    0.138710E-05    0.212013E+03 -0.654253E-08 0.100000E-04    0.950931E+00
  46    0.185064E-04    0.207745E+03 -0.890820E-07 0.100000E-04    0.994188E+00
  47   -0.282324E-04    0.203442E+03  0.138773E-06 0.100000E-04    0.997895E+00
  48    0.309707E-05    0.197808E+03 -0.156569E-07 0.100000E-04    0.987605E+00
  49   -0.202639E-04    0.195423E+03  0.103692E-06 0.100000E-04    0.994571E+00
  50   -0.912659E-05    0.191580E+03  0.476385E-07 0.100000E-04    0.996035E+00
  51   -0.133122E-04    0.184805E+03  0.720336E-07 0.100000E-04    0.993351E+00
  52   -0.175710E-05    0.175693E+03  0.100010E-07 0.100000E-04    0.978208E+00
  53    0.108077E-04    0.171539E+03 -0.630044E-07 0.100000E-04    0.995252E+00
  54    0.128117E-04    0.167586E+03 -0.764484E-07 0.100000E-04    0.990995E+00
  55   -0.189705E-04    0.165341E+03  0.114736E-06 0.100000E-04    0.998603E+00
  56   -0.590708E-05    0.159509E+03  0.370330E-07 0.100000E-04    0.991502E+00
  57    0.711947E-05    0.153718E+03 -0.463151E-07 0.100000E-04    0.989380E+00
  58   -0.207314E-04    0.151087E+03  0.137215E-06 0.100000E-04    0.996739E+00
  59   -0.221473E-05    0.149004E+03  0.148636E-07 0.100000E-04    0.988581E+00
  60   -0.191945E-04    0.143143E+03  0.134093E-06 0.100000E-04    0.994385E+00
  61    0.203463E-04    0.137012E+03 -0.148500E-06 0.100000E-04    0.995151E+00
  62   -0.309568E-04    0.135621E+03  0.228260E-06 0.100000E-04    0.999241E+00
  63   -0.222270E-04    0.130756E+03  0.169989E-06 0.100000E-04    0.999512E+00
  64    0.180549E-04    0.127841E+03 -0.141230E-06 0.100000E-04    0.990752E+00
  65   -0.608367E-05    0.126058E+03  0.482611E-07 0.100000E-04    0.966672E+00
  66    0.253948E-04    0.125548E+03 -0.202271E-06 0.100000E-04    0.998178E+00
  67   -0.460278E-05    0.119643E+03  0.384710E-07 0.100000E-04    0.989181E+00
  68   -0.841521E-05    0.118020E+03  0.713030E-07 0.100000E-04    0.997988E+00
  69    0.417483E-05    0.116926E+03 -0.357049E-07 0.100000E-04    0.996667E+00
  70   -0.214165E-04    0.111352E+03  0.192332E-06 0.100000E-04    0.994591E+00
  71   -0.420600E-05    0.108372E+03  0.388108E-07 0.100000E-04    0.997147E+00
  72    0.461727E-04    0.104920E+03 -0.440074E-06 0.100000E-04    0.997150E+00
  73   -0.231531E-04    0.103037E+03  0.224706E-06 0.100000E-04    0.995133E+00
  74   -0.297524E-04    0.998673E+02  0.297919E-06 0.100000E-04    0.998185E+00
  75    0.536919E-04    0.962865E+02 -0.557626E-06 0.100000E-04    0.992770E+00
  76    0.254932E-04    0.950783E+02 -0.268128E-06 0.100000E-04    0.994368E+00
  77   -0.618415E-04    0.922673E+02  0.670243E-06 0.100000E-04    0.998633E+00
  78   -0.550475E-06    0.903922E+02  0.608985E-08 0.100000E-04    0.965989E+00
  79    0.159600E-04    0.898082E+02 -0.177712E-06 0.100000E-04    0.983590E+00
  80    0.195924E-04    0.848410E+02 -0.230931E-06 0.100000E-04    0.994739E+00
  81    0.190463E-04    0.809163E+02 -0.235383E-06 0.100000E-04    0.998418E+00
  82    0.512485E-05    0.796789E+02 -0.643187E-07 0.100000E-04    0.968459E+00
  83   -0.145417E-04    0.783620E+02  0.185571E-06 0.100000E-04    0.991443E+00
  84   -0.321487E-04    0.727313E+02  0.442021E-06 0.100000E-04    0.997409E+00
  85    0.415606E-04    0.719747E+02 -0.577434E-06 0.100000E-04    0.999420E+00
  86    0.930039E-05    0.682980E+02 -0.136174E-06 0.100000E-04    0.968788E+00
  87    0.396084E-04    0.672199E+02 -0.589236E-06 0.100000E-04    0.995915E+00
  88    0.164054E-05    0.633306E+02 -0.259043E-07 0.100000E-04    0.984215E+00
  89    0.497704E-04    0.606408E+02 -0.820740E-06 0.100000E-04    0.996913E+00
  90    0.252700E-04    0.596877E+02 -0.423371E-06 0.100000E-04    0.998895E+00
  91   -0.358834E-06    0.590186E+02  0.608002E-08 0.100000E-04    0.856825E+00
  92   -0.578819E-04    0.559956E+02  0.103369E-05 0.100000E-04    0.996589E+00
  93   -0.354417E-04    0.529806E+02  0.668956E-06 0.100000E-04    0.994715E+00
  94    0.401647E-04    0.522462E+02 -0.768758E-06 0.100000E-04    0.998872E+00
  95    0.290218E-04    0.501461E+02 -0.578745E-06 0.100000E-04    0.992278E+00
  96   -0.103610E-04    0.477387E+02  0.217035E-06 0.100000E-04    0.999006E+00
  97   -0.378261E-04    0.429670E+02  0.880352E-06 0.100000E-04    0.998939E+00
  98   -0.343597E-04    0.402584E+02  0.853477E-06 0.100000E-04    0.995266E+00
  99    0.109133E-03    0.371998E+02 -0.293370E-05 0.100000E-04    0.998063E+00
 100    0.111484E-03    0.359600E+02 -0.310024E-05 0.100000E-04    0.998915E+00
 101    0.901968E-05    0.352212E+02 -0.256087E-06 0.100000E-04    0.981709E+00
 102   -0.913162E-04    0.288420E+02  0.316609E-05 0.100000E-04    0.999257E+00
 103   -0.559868E-05    0.287098E+02  0.195010E-06 0.100000E-04    0.914049E+00
 104    0.663267E-04    0.279251E+02 -0.237516E-05 0.100000E-04    0.998211E+00
 105   -0.492733E-04    0.229218E+02  0.214963E-05 0.100000E-04    0.993634E+00
 106    0.765801E-05    0.216811E+02 -0.353211E-06 0.100000E-04    0.948348E+00
 107    0.121854E-03    0.201500E+02 -0.604736E-05 0.100000E-04    0.997003E+00
 108   -0.226779E-04    0.168253E+02  0.134785E-05 0.100000E-04    0.982597E+00
 109   -0.768138E-04    0.137739E+02  0.557677E-05 0.100000E-04    0.994606E+00
 110    0.308060E-02    0.122710E+02 -0.100000E-04 0.100000E-04    0.559994E+00
 111    0.475519E-02    0.984136E+01 -0.100000E-04 0.100000E-04    0.867274E+00
 112    0.291990E-02    0.935153E+01 -0.109000E-04 0.109000E-04    0.109527E+00
 113    0.168650E-01    0.740427E+01 -0.119489E-04 0.119489E-04    0.224575E+00
 114    0.564114E+00    0.446187E+01  0.400000E-03 0.400000E-03    0.398223E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1244711256    

 Beginning of optimization cycle  279.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3688849104
 potential> RMS force:                                               0.0530276860   |gradient|=.5661807528    
 Eigenvalues of the Hessian matrix:
   730.30122    673.10526    626.34024    604.43988    588.74577    569.32348 
   566.51876    481.69718    466.20813    461.66353    441.34421    430.06687 
   421.59568    407.54314    397.64199    388.84729    367.57704    362.19510 
   351.20904    337.31581    325.37115    321.53370    319.85930    313.97197 
   304.47226    288.16994    279.04972    270.71958    266.44650    263.81409 
   258.95144    253.80807    242.48916    237.79289    235.60020    228.65626 
   221.21134    213.37313    212.01832    207.73604    203.44484    197.80309 
   195.42051    191.57951    184.79510    175.68065    171.54538    167.58430 
   165.33621    159.49953    153.72232    151.09046    148.99872    143.14596 
   137.01355    135.62511    130.75390    127.84426    126.05751    125.55071 
   119.64486    118.02134    116.92816    111.34510    108.36174    104.91729 
   103.03836     99.86522     96.27803     95.07620     92.27981     90.39129 
    89.81027     84.84370     80.91640     79.68159     78.36054     72.73170 
    71.97906     68.29784     67.20791     63.32909     60.63090     59.68850 
    59.02009     55.99669     52.97659     52.24683     50.14466     47.73573 
    42.96475     40.26089     37.20373     35.96477     35.21025     28.84133 
    28.70891     27.91684     22.92232     21.67627     20.15488     16.82526 
    13.77409     12.27037      9.84136      9.34314      7.40045      4.45785 
overlap for current and previous eigenvector    109 is         0.9999995044
overlap for current and previous eigenvector    110 is         0.9999993904
overlap for current and previous eigenvector    111 is         0.9999609985
overlap for current and previous eigenvector    112 is         0.9999564833
overlap for current and previous eigenvector    113 is         0.9999951438
overlap for current and previous eigenvector    114 is        -0.9999996857
J1,K1,R1,R2,RAT=   7   7   -0.9873119711E-02     2.009704308        0.9901268803    
FOB,PFOB,DIAG,PSTEP=   -0.2833496000E-05   -0.2805791744E-05     730.3012229        0.3842289321E-08
J1,K1,R1,R2,RAT=   8   8   -0.3833783688E-03     2.000352188        0.9996166216    
FOB,PFOB,DIAG,PSTEP=   -0.3731445612E-05   -0.3730015583E-05     673.1052583        0.5541590572E-08
J1,K1,R1,R2,RAT=   9   9    0.5806035284E-01     1.941898344        0.9418983444    
FOB,PFOB,DIAG,PSTEP=    0.2987676229E-06    0.3171838070E-06     626.3402411       -0.5064186150E-09
J1,K1,R1,R2,RAT=  10  10   -0.1197624646E-01     2.011988219        0.9880237535    
FOB,PFOB,DIAG,PSTEP=    0.1811819999E-05    0.1790378118E-05     604.4398774       -0.2962027271E-08
J1,K1,R1,R2,RAT=  11  11    0.1918423615E-02     1.998112027        0.9980815764    
FOB,PFOB,DIAG,PSTEP=   -0.1228722561E-05   -0.1231084266E-05     588.7457690        0.2090996806E-08
J1,K1,R1,R2,RAT= 109 109   -0.2968156951E-02     2.002937672        0.9970318430    
FOB,PFOB,DIAG,PSTEP=   -0.7704178624E-04   -0.7681378739E-04     13.77409162        0.5576771256E-05
J1,K1,R1,R2,RAT= 110 110   -0.4479870320         50.65997125        0.5520129680    
FOB,PFOB,DIAG,PSTEP=    0.3135566857E-02    0.3080597207E-02     12.27036635       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1338334815         96.50305112        0.8661665185    
FOB,PFOB,DIAG,PSTEP=    0.4742019510E-02    0.4755190542E-02     9.841357285       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7278863503         58.07065439        0.2721136497    
FOB,PFOB,DIAG,PSTEP=    0.2994029831E-02    0.2919901684E-02     9.343144658       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9770200457         382.4194526        0.2297995431E-01
FOB,PFOB,DIAG,PSTEP=    0.1695139294E-01    0.1686499751E-01     7.400450990       -0.1194893193E-04
J1,K1,R1,R2,RAT= 114 114    -633.7168009        0.9959855614        0.4014438604E-02
FOB,PFOB,DIAG,PSTEP=   -0.5658903687        0.5641143886         4.457845980        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002     -0.00003     -0.00002     -0.00002      0.00001      0.00003 
     0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
     0.00002     -0.00003      0.00005      0.00003     -0.00006     -0.00000 
     0.00002      0.00002     -0.00002      0.00001      0.00001      0.00003 
    -0.00004     -0.00001     -0.00004     -0.00000     -0.00005      0.00003 
     0.00000     -0.00006     -0.00004      0.00004     -0.00003     -0.00001 
     0.00004     -0.00003     -0.00011     -0.00011     -0.00001     -0.00009 
     0.00001      0.00007     -0.00005      0.00001      0.00012     -0.00002 
    -0.00008      0.00314      0.00474      0.00299      0.01695     -0.56589 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4324001131
 Log product of positive Hessian eigenvalues =          519.9960019006
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4578459804
 Unscaled step for mode    7=        0.0000000039
 Unscaled step for mode    8=        0.0000000055
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000002
 Unscaled step for mode   13=        0.0000000056
 Unscaled step for mode   14=        0.0000000072
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000105
 Unscaled step for mode   17=       -0.0000000087
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000334
 Unscaled step for mode   20=       -0.0000000207
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000134
 Unscaled step for mode   23=        0.0000000004
 Unscaled step for mode   24=        0.0000000008
 Unscaled step for mode   25=        0.0000000493
 Unscaled step for mode   26=        0.0000000856
 Unscaled step for mode   27=        0.0000000445
 Unscaled step for mode   28=       -0.0000000263
 Unscaled step for mode   29=       -0.0000000123
 Unscaled step for mode   30=        0.0000000743
 Unscaled step for mode   31=        0.0000000342
 Unscaled step for mode   32=        0.0000000159
 Unscaled step for mode   33=       -0.0000000355
 Unscaled step for mode   34=       -0.0000000272
 Unscaled step for mode   35=       -0.0000000859
 Unscaled step for mode   36=       -0.0000000500
 Unscaled step for mode   37=        0.0000000575
 Unscaled step for mode   38=        0.0000000110
 Unscaled step for mode   39=        0.0000000714
 Unscaled step for mode   40=       -0.0000000022
 Unscaled step for mode   41=        0.0000001321
 Unscaled step for mode   42=        0.0000000385
 Unscaled step for mode   43=       -0.0000000452
 Unscaled step for mode   44=        0.0000000864
 Unscaled step for mode   45=       -0.0000000067
 Unscaled step for mode   46=       -0.0000000895
 Unscaled step for mode   47=        0.0000001390
 Unscaled step for mode   48=       -0.0000000158
 Unscaled step for mode   49=        0.0000001039
 Unscaled step for mode   50=        0.0000000480
 Unscaled step for mode   51=        0.0000000721
 Unscaled step for mode   52=        0.0000000101
 Unscaled step for mode   53=       -0.0000000632
 Unscaled step for mode   54=       -0.0000000767
 Unscaled step for mode   55=        0.0000001149
 Unscaled step for mode   56=        0.0000000374
 Unscaled step for mode   57=       -0.0000000465
 Unscaled step for mode   58=        0.0000001377
 Unscaled step for mode   59=       -0.0000000141
 Unscaled step for mode   60=       -0.0000001342
 Unscaled step for mode   61=        0.0000001497
 Unscaled step for mode   62=        0.0000002285
 Unscaled step for mode   63=        0.0000001706
 Unscaled step for mode   64=        0.0000001422
 Unscaled step for mode   65=       -0.0000000498
 Unscaled step for mode   66=       -0.0000002026
 Unscaled step for mode   67=       -0.0000000386
 Unscaled step for mode   68=       -0.0000000715
 Unscaled step for mode   69=        0.0000000361
 Unscaled step for mode   70=        0.0000001927
 Unscaled step for mode   71=        0.0000000392
 Unscaled step for mode   72=        0.0000004429
 Unscaled step for mode   73=       -0.0000002255
 Unscaled step for mode   74=        0.0000002985
 Unscaled step for mode   75=       -0.0000005613
 Unscaled step for mode   76=       -0.0000002659
 Unscaled step for mode   77=        0.0000006698
 Unscaled step for mode   78=        0.0000000070
 Unscaled step for mode   79=       -0.0000001770
 Unscaled step for mode   80=       -0.0000002310
 Unscaled step for mode   81=        0.0000002363
 Unscaled step for mode   82=       -0.0000000633
 Unscaled step for mode   83=       -0.0000001848
 Unscaled step for mode   84=       -0.0000004448
 Unscaled step for mode   85=        0.0000005796
 Unscaled step for mode   86=        0.0000001324
 Unscaled step for mode   87=        0.0000005903
 Unscaled step for mode   88=        0.0000000270
 Unscaled step for mode   89=        0.0000008225
 Unscaled step for mode   90=       -0.0000004275
 Unscaled step for mode   91=       -0.0000000071
 Unscaled step for mode   92=        0.0000010337
 Unscaled step for mode   93=        0.0000006692
 Unscaled step for mode   94=       -0.0000007732
 Unscaled step for mode   95=        0.0000005796
 Unscaled step for mode   96=        0.0000002152
 Unscaled step for mode   97=       -0.0000008847
 Unscaled step for mode   98=        0.0000008577
 Unscaled step for mode   99=        0.0000029479
 Unscaled step for mode  100=        0.0000030921
 Unscaled step for mode  101=        0.0000002671
 Unscaled step for mode  102=        0.0000031795
 Unscaled step for mode  103=       -0.0000001785
 Unscaled step for mode  104=       -0.0000024047
 Unscaled step for mode  105=        0.0000021509
 Unscaled step for mode  106=       -0.0000003874
 Unscaled step for mode  107=       -0.0000060177
 Unscaled step for mode  108=        0.0000013152
 Unscaled step for mode  109=        0.0000055932
 Unscaled step for mode  110=       -0.0002555398
 Unscaled step for mode  111=       -0.0004818460
 Unscaled step for mode  112=       -0.0003204520
 Unscaled step for mode  113=       -0.0022905772
 Unscaled step for mode  114=       -0.1249603383
 Largest modulus ratio of non-zero e/values=           163.8237898    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.288398E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.371014E-15    0.100724E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.740840E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.697684E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.392481E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.390042E-16    0.973813E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.283350E-05    0.730301E+03  0.387990E-08 0.100000E-04    0.990127E+00
   8   -0.373145E-05    0.673105E+03  0.554363E-08 0.100000E-04    0.999617E+00
   9    0.298768E-06    0.626340E+03 -0.477005E-09 0.100000E-04    0.941898E+00
  10    0.181182E-05    0.604440E+03 -0.299752E-08 0.100000E-04    0.988024E+00
  11   -0.122872E-05    0.588746E+03  0.208702E-08 0.100000E-04    0.998082E+00
  12   -0.140817E-06    0.569323E+03  0.247341E-09 0.100000E-04    0.678971E+00
  13   -0.319723E-05    0.566519E+03  0.564365E-08 0.100000E-04    0.994898E+00
  14   -0.345508E-05    0.481697E+03  0.717273E-08 0.100000E-04    0.993195E+00
  15    0.176414E-05    0.466208E+03 -0.378403E-08 0.100000E-04    0.987968E+00
  16    0.484972E-05    0.461664E+03 -0.105049E-07 0.100000E-04    0.993465E+00
  17    0.382855E-05    0.441344E+03 -0.867474E-08 0.100000E-04    0.994197E+00
  18    0.480688E-05    0.430067E+03 -0.111770E-07 0.100000E-04    0.996907E+00
  19   -0.140909E-04    0.421596E+03  0.334228E-07 0.100000E-04    0.996410E+00
  20    0.845070E-05    0.407543E+03 -0.207357E-07 0.100000E-04    0.998879E+00
  21    0.729911E-05    0.397642E+03 -0.183560E-07 0.100000E-04    0.999251E+00
  22   -0.520776E-05    0.388847E+03  0.133928E-07 0.100000E-04    0.988655E+00
  23   -0.155800E-06    0.367577E+03  0.423858E-09 0.100000E-04    0.937055E+00
  24   -0.295187E-06    0.362195E+03  0.814996E-09 0.100000E-04    0.844523E+00
  25   -0.173051E-04    0.351209E+03  0.492729E-07 0.100000E-04    0.997521E+00
  26   -0.288587E-04    0.337316E+03  0.855540E-07 0.100000E-04    0.996551E+00
  27   -0.144773E-04    0.325371E+03  0.444946E-07 0.100000E-04    0.997719E+00
  28    0.844685E-05    0.321534E+03 -0.262705E-07 0.100000E-04    0.985647E+00
  29    0.394466E-05    0.319859E+03 -0.123325E-07 0.100000E-04    0.975326E+00
  30   -0.233240E-04    0.313972E+03  0.742868E-07 0.100000E-04    0.999021E+00
  31   -0.104187E-04    0.304472E+03  0.342190E-07 0.100000E-04    0.995024E+00
  32   -0.459339E-05    0.288170E+03  0.159399E-07 0.100000E-04    0.988193E+00
  33    0.990121E-05    0.279050E+03 -0.354819E-07 0.100000E-04    0.993212E+00
  34    0.736596E-05    0.270720E+03 -0.272088E-07 0.100000E-04    0.990072E+00
  35    0.228972E-04    0.266447E+03 -0.859354E-07 0.100000E-04    0.999440E+00
  36    0.132017E-04    0.263814E+03 -0.500416E-07 0.100000E-04    0.992788E+00
  37   -0.148788E-04    0.258951E+03  0.574578E-07 0.100000E-04    0.995866E+00
  38   -0.279198E-05    0.253808E+03  0.110004E-07 0.100000E-04    0.986810E+00
  39   -0.173060E-04    0.242489E+03  0.713683E-07 0.100000E-04    0.997140E+00
  40    0.533302E-06    0.237793E+03 -0.224271E-08 0.100000E-04    0.675908E+00
  41   -0.311342E-04    0.235600E+03  0.132148E-06 0.100000E-04    0.994054E+00
  42   -0.881407E-05    0.228656E+03  0.385472E-07 0.100000E-04    0.993191E+00
  43    0.999504E-05    0.221211E+03 -0.451832E-07 0.100000E-04    0.994744E+00
  44   -0.184395E-04    0.213373E+03  0.864189E-07 0.100000E-04    0.994665E+00
  45    0.142395E-05    0.212018E+03 -0.671618E-08 0.100000E-04    0.973434E+00
  46    0.185945E-04    0.207736E+03 -0.895101E-07 0.100000E-04    0.995239E+00
  47   -0.282705E-04    0.203445E+03  0.138959E-06 0.100000E-04    0.998648E+00
  48    0.312131E-05    0.197803E+03 -0.157799E-07 0.100000E-04    0.992172E+00
  49   -0.203137E-04    0.195421E+03  0.103949E-06 0.100000E-04    0.997540E+00
  50   -0.920079E-05    0.191580E+03  0.480259E-07 0.100000E-04    0.991870E+00
  51   -0.133270E-04    0.184795E+03  0.721178E-07 0.100000E-04    0.998887E+00
  52   -0.176863E-05    0.175681E+03  0.100673E-07 0.100000E-04    0.993442E+00
  53    0.108341E-04    0.171545E+03 -0.631560E-07 0.100000E-04    0.997558E+00
  54    0.128619E-04    0.167584E+03 -0.767489E-07 0.100000E-04    0.996080E+00
  55   -0.189962E-04    0.165336E+03  0.114894E-06 0.100000E-04    0.998648E+00
  56   -0.595807E-05    0.159500E+03  0.373548E-07 0.100000E-04    0.991367E+00
  57    0.715399E-05    0.153722E+03 -0.465384E-07 0.100000E-04    0.995152E+00
  58   -0.208025E-04    0.151090E+03  0.137682E-06 0.100000E-04    0.996569E+00
  59    0.210724E-05    0.148999E+03 -0.141427E-07 0.100000E-04    0.951464E+00
  60    0.192082E-04    0.143146E+03 -0.134186E-06 0.100000E-04    0.999286E+00
  61   -0.205042E-04    0.137014E+03  0.149651E-06 0.100000E-04    0.992241E+00
  62   -0.309929E-04    0.135625E+03  0.228519E-06 0.100000E-04    0.998835E+00
  63   -0.223087E-04    0.130754E+03  0.170616E-06 0.100000E-04    0.996321E+00
  64   -0.181739E-04    0.127844E+03  0.142157E-06 0.100000E-04    0.993409E+00
  65    0.627908E-05    0.126058E+03 -0.498112E-07 0.100000E-04    0.967881E+00
  66    0.254394E-04    0.125551E+03 -0.202622E-06 0.100000E-04    0.998243E+00
  67    0.462384E-05    0.119645E+03 -0.386464E-07 0.100000E-04    0.995425E+00
  68    0.843710E-05    0.118021E+03 -0.714879E-07 0.100000E-04    0.997399E+00
  69   -0.422346E-05    0.116928E+03  0.361201E-07 0.100000E-04    0.988353E+00
  70   -0.214611E-04    0.111345E+03  0.192744E-06 0.100000E-04    0.997917E+00
  71   -0.424578E-05    0.108362E+03  0.391815E-07 0.100000E-04    0.990540E+00
  72   -0.464651E-04    0.104917E+03  0.442874E-06 0.100000E-04    0.993667E+00
  73    0.232309E-04    0.103038E+03 -0.225458E-06 0.100000E-04    0.996639E+00
  74   -0.298059E-04    0.998652E+02  0.298461E-06 0.100000E-04    0.998204E+00
  75    0.540377E-04    0.962780E+02 -0.561267E-06 0.100000E-04    0.993559E+00
  76    0.252784E-04    0.950762E+02 -0.265875E-06 0.100000E-04    0.991574E+00
  77   -0.618081E-04    0.922798E+02  0.669790E-06 0.100000E-04    0.999189E+00
  78   -0.630640E-06    0.903913E+02  0.697678E-08 0.100000E-04    0.854370E+00
  79    0.158930E-04    0.898103E+02 -0.176961E-06 0.100000E-04    0.995756E+00
  80    0.195995E-04    0.848437E+02 -0.231007E-06 0.100000E-04    0.999640E+00
  81   -0.191214E-04    0.809164E+02  0.236310E-06 0.100000E-04    0.996058E+00
  82    0.504535E-05    0.796816E+02 -0.633189E-07 0.100000E-04    0.984421E+00
  83    0.144814E-04    0.783605E+02 -0.184804E-06 0.100000E-04    0.995849E+00
  84    0.323519E-04    0.727317E+02 -0.444812E-06 0.100000E-04    0.993680E+00
  85   -0.417204E-04    0.719791E+02  0.579618E-06 0.100000E-04    0.996156E+00
  86   -0.904469E-05    0.682978E+02  0.132430E-06 0.100000E-04    0.972506E+00
  87   -0.396745E-04    0.672079E+02  0.590324E-06 0.100000E-04    0.998331E+00
  88   -0.170970E-05    0.633291E+02  0.269971E-07 0.100000E-04    0.957839E+00
  89   -0.498710E-04    0.606309E+02  0.822534E-06 0.100000E-04    0.997978E+00
  90    0.255148E-04    0.596885E+02 -0.427466E-06 0.100000E-04    0.990312E+00
  91    0.416221E-06    0.590201E+02 -0.705220E-08 0.100000E-04    0.840077E+00
  92   -0.578823E-04    0.559967E+02  0.103367E-05 0.100000E-04    0.999969E+00
  93   -0.354522E-04    0.529766E+02  0.669205E-06 0.100000E-04    0.999704E+00
  94    0.403981E-04    0.522468E+02 -0.773217E-06 0.100000E-04    0.994187E+00
  95   -0.290634E-04    0.501447E+02  0.579592E-06 0.100000E-04    0.998566E+00
  96   -0.102718E-04    0.477357E+02  0.215180E-06 0.100000E-04    0.991392E+00
  97    0.380090E-04    0.429647E+02 -0.884656E-06 0.100000E-04    0.995164E+00
  98   -0.345327E-04    0.402609E+02  0.857723E-06 0.100000E-04    0.994965E+00
  99   -0.109672E-03    0.372037E+02  0.294788E-05 0.100000E-04    0.995062E+00
 100   -0.111205E-03    0.359648E+02  0.309205E-05 0.100000E-04    0.997226E+00
 101   -0.940602E-05    0.352103E+02  0.267139E-06 0.100000E-04    0.957153E+00
 102   -0.917006E-04    0.288413E+02  0.317949E-05 0.100000E-04    0.995790E+00
 103    0.512383E-05    0.287089E+02 -0.178475E-06 0.100000E-04    0.915182E+00
 104    0.671315E-04    0.279168E+02 -0.240469E-05 0.100000E-04    0.987864E+00
 105   -0.493035E-04    0.229223E+02  0.215089E-05 0.100000E-04    0.999388E+00
 106    0.839701E-05    0.216763E+02 -0.387383E-06 0.100000E-04    0.903479E+00
 107    0.121286E-03    0.201549E+02 -0.601770E-05 0.100000E-04    0.994853E+00
 108   -0.221289E-04    0.168253E+02  0.131522E-05 0.100000E-04    0.975795E+00
 109   -0.770418E-04    0.137741E+02  0.559324E-05 0.100000E-04    0.997032E+00
 110    0.313557E-02    0.122704E+02 -0.100000E-04 0.100000E-04    0.552013E+00
 111    0.474202E-02    0.984136E+01 -0.100000E-04 0.100000E-04    0.866167E+00
 112    0.299403E-02    0.934314E+01 -0.100000E-04 0.100000E-04    0.272114E+00
 113    0.169514E-01    0.740045E+01 -0.130243E-04 0.130243E-04    0.229800E-01
 114   -0.565890E+00    0.445785E+01 -0.400000E-03 0.400000E-03    0.401444E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1249603383    

 Beginning of optimization cycle  280.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3686585265
 potential> RMS force:                                               0.0531940614   |gradient|=.5679571566    
 Eigenvalues of the Hessian matrix:
   730.36289    673.11558    626.35307    604.43637    588.73666    569.36563 
   566.52885    481.72094    466.18484    461.65579    441.34473    430.05876 
   421.60100    407.55218    397.63709    388.84761    367.58280    362.18590 
   351.20155    337.28967    325.38088    321.53215    319.86972    313.94419 
   304.46334    288.17747    279.04428    270.71857    266.45470    263.82314 
   258.96267    253.81056    242.48437    237.79784    235.59330    228.65434 
   221.19099    213.38078    212.02345    207.72685    203.44757    197.79805 
   195.41809    191.57878    184.78483    175.66825    171.55150    167.58256 
   165.33132    159.49048    153.72656    151.09434    148.99359    143.14850 
   137.01488    135.62960    130.75219    127.84781    126.05748    125.55325 
   119.64673    118.02228    116.93022    111.33859    108.35165    104.91409 
   103.03967     99.86311     96.26953     95.07399     92.29236     90.39053 
    89.81210     84.84644     80.91648     79.68429     78.35910     72.73214 
    71.98344     68.29758     67.19590     63.32754     60.62096     59.68936 
    59.02150     55.99772     52.97253     52.24752     50.14323     47.73266 
    42.96252     40.26332     37.20760     35.96943     35.19926     28.84070 
    28.70802     27.90854     22.92290     21.67136     20.15970     16.82524 
    13.77430     12.26976      9.84144      9.33468      7.39657      4.45380 
overlap for current and previous eigenvector    109 is        -0.9999995042
overlap for current and previous eigenvector    110 is         0.9999993923
overlap for current and previous eigenvector    111 is         0.9999633427
overlap for current and previous eigenvector    112 is         0.9999587383
overlap for current and previous eigenvector    113 is         0.9999950752
overlap for current and previous eigenvector    114 is         0.9999996881
J1,K1,R1,R2,RAT=   7   7   -0.8530173423E-02     2.008361319        0.9914698266    
FOB,PFOB,DIAG,PSTEP=   -0.2857668254E-05   -0.2833496000E-05     730.3628856        0.3879900391E-08
J1,K1,R1,R2,RAT=   8   8   -0.9120560906E-02     2.009089896        0.9908794391    
FOB,PFOB,DIAG,PSTEP=   -0.3765479011E-05   -0.3731445612E-05     673.1155789        0.5543628677E-08
J1,K1,R1,R2,RAT=   9   9   -0.1809654301E-01     2.018055572        0.9819034570    
FOB,PFOB,DIAG,PSTEP=    0.3041743948E-06    0.2987676229E-06     626.3530723       -0.4770053132E-09
J1,K1,R1,R2,RAT=  10  10    0.6424212001E-02     1.993587387        0.9935757880    
FOB,PFOB,DIAG,PSTEP=    0.1800180551E-05    0.1811819999E-05     604.4363719       -0.2997518971E-08
J1,K1,R1,R2,RAT=  11  11   -0.9559255559E-02     2.009590208        0.9904407444    
FOB,PFOB,DIAG,PSTEP=   -0.1240468052E-05   -0.1228722561E-05     588.7366575        0.2087017224E-08
J1,K1,R1,R2,RAT= 109 109     1.994549950        0.5419418787E-02    0.9945499497    
FOB,PFOB,DIAG,PSTEP=    0.7662425814E-04   -0.7704178624E-04     13.77430258        0.5593238985E-05
J1,K1,R1,R2,RAT= 110 110   -0.4476996963         51.55819308        0.5523003037    
FOB,PFOB,DIAG,PSTEP=    0.3190498525E-02    0.3135566857E-02     12.26975773       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1504940665         96.21795421        0.8495059335    
FOB,PFOB,DIAG,PSTEP=    0.4727208733E-02    0.4742019510E-02     9.841435854       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8714775825         65.02000807        0.1285224175    
FOB,PFOB,DIAG,PSTEP=    0.3075379470E-02    0.2994029831E-02     9.334679403       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8079624953         352.7322582        0.1920375047    
FOB,PFOB,DIAG,PSTEP=    0.1702922837E-01    0.1695139294E-01     7.396573066       -0.1302433580E-04
J1,K1,R1,R2,RAT= 114 114    0.9959838959        -636.2853703        0.4016104143E-02
FOB,PFOB,DIAG,PSTEP=   -0.5676647340       -0.5658903687         4.453799960       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
     0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002     -0.00003     -0.00002     -0.00002      0.00001      0.00003 
     0.00000     -0.00001      0.00000      0.00002      0.00000      0.00005 
    -0.00002     -0.00003     -0.00005      0.00003      0.00006      0.00000 
    -0.00002     -0.00002      0.00002      0.00000      0.00001     -0.00003 
     0.00004     -0.00001      0.00004     -0.00000     -0.00005      0.00003 
     0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
     0.00004     -0.00003     -0.00011     -0.00011     -0.00001     -0.00009 
     0.00000      0.00007     -0.00005      0.00001      0.00012     -0.00002 
     0.00008      0.00319      0.00473      0.00308      0.01703     -0.56766 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4322919357
 Log product of positive Hessian eigenvalues =          519.9927035208
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4537999600
 Unscaled step for mode    7=        0.0000000039
 Unscaled step for mode    8=        0.0000000056
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000003
 Unscaled step for mode   13=        0.0000000057
 Unscaled step for mode   14=        0.0000000071
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000105
 Unscaled step for mode   17=       -0.0000000087
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000335
 Unscaled step for mode   20=       -0.0000000207
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000134
 Unscaled step for mode   23=        0.0000000004
 Unscaled step for mode   24=        0.0000000008
 Unscaled step for mode   25=        0.0000000495
 Unscaled step for mode   26=        0.0000000858
 Unscaled step for mode   27=        0.0000000447
 Unscaled step for mode   28=       -0.0000000266
 Unscaled step for mode   29=       -0.0000000125
 Unscaled step for mode   30=        0.0000000745
 Unscaled step for mode   31=        0.0000000345
 Unscaled step for mode   32=        0.0000000160
 Unscaled step for mode   33=       -0.0000000355
 Unscaled step for mode   34=       -0.0000000273
 Unscaled step for mode   35=       -0.0000000861
 Unscaled step for mode   36=       -0.0000000503
 Unscaled step for mode   37=        0.0000000577
 Unscaled step for mode   38=        0.0000000109
 Unscaled step for mode   39=        0.0000000715
 Unscaled step for mode   40=       -0.0000000013
 Unscaled step for mode   41=        0.0000001328
 Unscaled step for mode   42=        0.0000000387
 Unscaled step for mode   43=       -0.0000000456
 Unscaled step for mode   44=        0.0000000870
 Unscaled step for mode   45=       -0.0000000064
 Unscaled step for mode   46=       -0.0000000900
 Unscaled step for mode   47=        0.0000001392
 Unscaled step for mode   48=       -0.0000000160
 Unscaled step for mode   49=        0.0000001045
 Unscaled step for mode   50=        0.0000000478
 Unscaled step for mode   51=        0.0000000726
 Unscaled step for mode   52=        0.0000000103
 Unscaled step for mode   53=       -0.0000000635
 Unscaled step for mode   54=       -0.0000000774
 Unscaled step for mode   55=       -0.0000001151
 Unscaled step for mode   56=        0.0000000370
 Unscaled step for mode   57=       -0.0000000470
 Unscaled step for mode   58=        0.0000001381
 Unscaled step for mode   59=       -0.0000000140
 Unscaled step for mode   60=       -0.0000001349
 Unscaled step for mode   61=        0.0000001504
 Unscaled step for mode   62=        0.0000002283
 Unscaled step for mode   63=        0.0000001705
 Unscaled step for mode   64=        0.0000001434
 Unscaled step for mode   65=       -0.0000000514
 Unscaled step for mode   66=       -0.0000002022
 Unscaled step for mode   67=       -0.0000000391
 Unscaled step for mode   68=        0.0000000716
 Unscaled step for mode   69=       -0.0000000362
 Unscaled step for mode   70=       -0.0000001938
 Unscaled step for mode   71=       -0.0000000393
 Unscaled step for mode   72=       -0.0000004441
 Unscaled step for mode   73=        0.0000002265
 Unscaled step for mode   74=        0.0000002979
 Unscaled step for mode   75=        0.0000005653
 Unscaled step for mode   76=       -0.0000002642
 Unscaled step for mode   77=       -0.0000006705
 Unscaled step for mode   78=       -0.0000000067
 Unscaled step for mode   79=        0.0000001740
 Unscaled step for mode   80=        0.0000002322
 Unscaled step for mode   81=       -0.0000002367
 Unscaled step for mode   82=       -0.0000000612
 Unscaled step for mode   83=       -0.0000001864
 Unscaled step for mode   84=        0.0000004460
 Unscaled step for mode   85=       -0.0000005799
 Unscaled step for mode   86=        0.0000001281
 Unscaled step for mode   87=       -0.0000005928
 Unscaled step for mode   88=        0.0000000274
 Unscaled step for mode   89=        0.0000008252
 Unscaled step for mode   90=       -0.0000004280
 Unscaled step for mode   91=       -0.0000000079
 Unscaled step for mode   92=        0.0000010371
 Unscaled step for mode   93=       -0.0000006657
 Unscaled step for mode   94=       -0.0000007741
 Unscaled step for mode   95=       -0.0000005751
 Unscaled step for mode   96=       -0.0000002153
 Unscaled step for mode   97=       -0.0000008856
 Unscaled step for mode   98=        0.0000008617
 Unscaled step for mode   99=        0.0000029532
 Unscaled step for mode  100=        0.0000030890
 Unscaled step for mode  101=        0.0000002718
 Unscaled step for mode  102=        0.0000031818
 Unscaled step for mode  103=       -0.0000001602
 Unscaled step for mode  104=       -0.0000024013
 Unscaled step for mode  105=        0.0000021646
 Unscaled step for mode  106=       -0.0000003686
 Unscaled step for mode  107=       -0.0000060341
 Unscaled step for mode  108=        0.0000012910
 Unscaled step for mode  109=       -0.0000055628
 Unscaled step for mode  110=       -0.0002600294
 Unscaled step for mode  111=       -0.0004803372
 Unscaled step for mode  112=       -0.0003294574
 Unscaled step for mode  113=       -0.0023023011
 Unscaled step for mode  114=       -0.1254503895
 Largest modulus ratio of non-zero e/values=           163.9864592    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.271701E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.454931E-15    0.100724E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.277096E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.673073E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.176888E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.367138E-15    0.973814E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.285767E-05    0.730363E+03  0.391267E-08 0.100000E-04    0.991470E+00
   8   -0.376548E-05    0.673116E+03  0.559410E-08 0.100000E-04    0.990879E+00
   9    0.304174E-06    0.626353E+03 -0.485628E-09 0.100000E-04    0.981903E+00
  10    0.180018E-05    0.604436E+03 -0.297828E-08 0.100000E-04    0.993576E+00
  11   -0.124047E-05    0.588737E+03  0.210700E-08 0.100000E-04    0.990441E+00
  12   -0.177285E-06    0.569366E+03  0.311373E-09 0.100000E-04    0.741043E+00
  13   -0.323028E-05    0.566529E+03  0.570188E-08 0.100000E-04    0.989664E+00
  14   -0.341691E-05    0.481721E+03  0.709313E-08 0.100000E-04    0.988854E+00
  15    0.178516E-05    0.466185E+03 -0.382931E-08 0.100000E-04    0.988084E+00
  16    0.486696E-05    0.461656E+03 -0.105424E-07 0.100000E-04    0.996445E+00
  17    0.384020E-05    0.441345E+03 -0.870114E-08 0.100000E-04    0.996956E+00
  18    0.483597E-05    0.430059E+03 -0.112449E-07 0.100000E-04    0.993947E+00
  19   -0.141284E-04    0.421601E+03  0.335113E-07 0.100000E-04    0.997340E+00
  20    0.844026E-05    0.407552E+03 -0.207096E-07 0.100000E-04    0.998721E+00
  21    0.729988E-05    0.397637E+03 -0.183582E-07 0.100000E-04    0.999894E+00
  22   -0.522657E-05    0.388848E+03  0.134412E-07 0.100000E-04    0.996388E+00
  23   -0.147088E-06    0.367583E+03  0.400151E-09 0.100000E-04    0.944053E+00
  24   -0.301248E-06    0.362186E+03  0.831750E-09 0.100000E-04    0.979468E+00
  25   -0.173676E-04    0.351202E+03  0.494521E-07 0.100000E-04    0.996386E+00
  26   -0.289276E-04    0.337290E+03  0.857648E-07 0.100000E-04    0.997614E+00
  27   -0.145346E-04    0.325381E+03  0.446694E-07 0.100000E-04    0.996043E+00
  28    0.856206E-05    0.321532E+03 -0.266289E-07 0.100000E-04    0.986360E+00
  29    0.399429E-05    0.319870E+03 -0.124872E-07 0.100000E-04    0.987419E+00
  30   -0.233795E-04    0.313944E+03  0.744702E-07 0.100000E-04    0.997620E+00
  31   -0.105090E-04    0.304463E+03  0.345165E-07 0.100000E-04    0.991336E+00
  32   -0.459745E-05    0.288177E+03  0.159535E-07 0.100000E-04    0.999118E+00
  33    0.990964E-05    0.279044E+03 -0.355128E-07 0.100000E-04    0.999148E+00
  34    0.739909E-05    0.270719E+03 -0.273313E-07 0.100000E-04    0.995503E+00
  35    0.229320E-04    0.266455E+03 -0.860636E-07 0.100000E-04    0.998478E+00
  36    0.132745E-04    0.263823E+03 -0.503158E-07 0.100000E-04    0.994484E+00
  37   -0.149439E-04    0.258963E+03  0.577068E-07 0.100000E-04    0.995624E+00
  38   -0.277773E-05    0.253811E+03  0.109441E-07 0.100000E-04    0.994876E+00
  39   -0.173343E-04    0.242484E+03  0.714863E-07 0.100000E-04    0.998366E+00
  40    0.318568E-06    0.237798E+03 -0.133966E-08 0.100000E-04    0.597318E+00
  41   -0.312835E-04    0.235593E+03  0.132786E-06 0.100000E-04    0.995202E+00
  42   -0.884777E-05    0.228654E+03  0.386950E-07 0.100000E-04    0.996176E+00
  43    0.100811E-04    0.221191E+03 -0.455767E-07 0.100000E-04    0.991385E+00
  44   -0.185613E-04    0.213381E+03  0.869867E-07 0.100000E-04    0.993395E+00
  45    0.135398E-05    0.212023E+03 -0.638600E-08 0.100000E-04    0.950813E+00
  46    0.187013E-04    0.207727E+03 -0.900285E-07 0.100000E-04    0.994253E+00
  47   -0.283276E-04    0.203448E+03  0.139238E-06 0.100000E-04    0.997983E+00
  48    0.315960E-05    0.197798E+03 -0.159739E-07 0.100000E-04    0.987732E+00
  49   -0.204225E-04    0.195418E+03  0.104507E-06 0.100000E-04    0.994644E+00
  50   -0.916477E-05    0.191579E+03  0.478381E-07 0.100000E-04    0.996086E+00
  51   -0.134145E-04    0.184785E+03  0.725951E-07 0.100000E-04    0.993437E+00
  52   -0.180608E-05    0.175668E+03  0.102812E-07 0.100000E-04    0.978821E+00
  53    0.108852E-04    0.171551E+03 -0.634518E-07 0.100000E-04    0.995281E+00
  54    0.129759E-04    0.167583E+03 -0.774302E-07 0.100000E-04    0.991134E+00
  55    0.190219E-04    0.165331E+03 -0.115053E-06 0.100000E-04    0.998646E+00
  56   -0.590737E-05    0.159490E+03  0.370390E-07 0.100000E-04    0.991489E+00
  57    0.722900E-05    0.153727E+03 -0.470250E-07 0.100000E-04    0.989516E+00
  58   -0.208687E-04    0.151094E+03  0.138117E-06 0.100000E-04    0.996816E+00
  59    0.208141E-05    0.148994E+03 -0.139698E-07 0.100000E-04    0.987742E+00
  60    0.193143E-04    0.143148E+03 -0.134925E-06 0.100000E-04    0.994478E+00
  61   -0.206033E-04    0.137015E+03  0.150373E-06 0.100000E-04    0.995165E+00
  62   -0.309701E-04    0.135630E+03  0.228343E-06 0.100000E-04    0.999198E+00
  63   -0.222973E-04    0.130752E+03  0.170531E-06 0.100000E-04    0.999487E+00
  64   -0.183392E-04    0.127848E+03  0.143445E-06 0.100000E-04    0.990907E+00
  65    0.648181E-05    0.126057E+03 -0.514195E-07 0.100000E-04    0.967713E+00
  66    0.253897E-04    0.125553E+03 -0.202222E-06 0.100000E-04    0.998007E+00
  67    0.467235E-05    0.119647E+03 -0.390513E-07 0.100000E-04    0.989508E+00
  68   -0.845429E-05    0.118022E+03  0.716330E-07 0.100000E-04    0.997962E+00
  69    0.423745E-05    0.116930E+03 -0.362391E-07 0.100000E-04    0.996687E+00
  70    0.215760E-04    0.111339E+03 -0.193787E-06 0.100000E-04    0.994647E+00
  71    0.425802E-05    0.108352E+03 -0.392982E-07 0.100000E-04    0.997116E+00
  72    0.465971E-04    0.104914E+03 -0.444145E-06 0.100000E-04    0.997159E+00
  73   -0.233423E-04    0.103040E+03  0.226537E-06 0.100000E-04    0.995202E+00
  74   -0.297513E-04    0.998631E+02  0.297921E-06 0.100000E-04    0.998170E+00
  75   -0.544250E-04    0.962695E+02  0.565340E-06 0.100000E-04    0.992832E+00
  76    0.251198E-04    0.950740E+02 -0.264213E-06 0.100000E-04    0.993727E+00
  77    0.618850E-04    0.922924E+02 -0.670532E-06 0.100000E-04    0.998757E+00
  78    0.603984E-06    0.903905E+02 -0.668194E-08 0.100000E-04    0.957732E+00
  79   -0.156313E-04    0.898121E+02  0.174044E-06 0.100000E-04    0.983496E+00
  80   -0.197008E-04    0.848464E+02  0.232194E-06 0.100000E-04    0.994829E+00
  81    0.191515E-04    0.809165E+02 -0.236682E-06 0.100000E-04    0.998427E+00
  82    0.487843E-05    0.796843E+02 -0.612220E-07 0.100000E-04    0.966850E+00
  83    0.146041E-04    0.783591E+02 -0.186374E-06 0.100000E-04    0.991525E+00
  84   -0.324359E-04    0.727321E+02  0.445963E-06 0.100000E-04    0.997405E+00
  85    0.417424E-04    0.719834E+02 -0.579889E-06 0.100000E-04    0.999472E+00
  86   -0.874869E-05    0.682976E+02  0.128097E-06 0.100000E-04    0.967273E+00
  87    0.398312E-04    0.671959E+02 -0.592762E-06 0.100000E-04    0.996049E+00
  88   -0.173520E-05    0.633275E+02  0.274004E-07 0.100000E-04    0.985085E+00
  89   -0.500222E-04    0.606210E+02  0.825163E-06 0.100000E-04    0.996968E+00
  90    0.255487E-04    0.596894E+02 -0.428028E-06 0.100000E-04    0.998671E+00
  91    0.463894E-06    0.590215E+02 -0.785975E-08 0.100000E-04    0.885466E+00
  92   -0.580762E-04    0.559977E+02  0.103712E-05 0.100000E-04    0.996650E+00
  93    0.352635E-04    0.529725E+02 -0.665694E-06 0.100000E-04    0.994678E+00
  94    0.404439E-04    0.522475E+02 -0.774083E-06 0.100000E-04    0.998866E+00
  95    0.288370E-04    0.501432E+02 -0.575092E-06 0.100000E-04    0.992208E+00
  96    0.102786E-04    0.477327E+02 -0.215338E-06 0.100000E-04    0.999333E+00
  97    0.380489E-04    0.429625E+02 -0.885629E-06 0.100000E-04    0.998951E+00
  98   -0.346949E-04    0.402633E+02  0.861701E-06 0.100000E-04    0.995302E+00
  99   -0.109880E-03    0.372076E+02  0.295315E-05 0.100000E-04    0.998108E+00
 100   -0.111110E-03    0.359694E+02  0.308901E-05 0.100000E-04    0.998888E+00
 101   -0.956714E-05    0.351993E+02  0.271799E-06 0.100000E-04    0.982866E+00
 102   -0.917654E-04    0.288407E+02  0.318180E-05 0.100000E-04    0.999294E+00
 103    0.459965E-05    0.287080E+02 -0.160222E-06 0.100000E-04    0.897694E+00
 104    0.670172E-04    0.279085E+02 -0.240132E-05 0.100000E-04    0.998298E+00
 105   -0.496180E-04    0.229229E+02  0.216456E-05 0.100000E-04    0.993622E+00
 106    0.798889E-05    0.216714E+02 -0.368638E-06 0.100000E-04    0.951386E+00
 107    0.121646E-03    0.201597E+02 -0.603410E-05 0.100000E-04    0.997035E+00
 108   -0.217222E-04    0.168252E+02  0.129105E-05 0.100000E-04    0.981617E+00
 109    0.766243E-04    0.137743E+02 -0.556284E-05 0.100000E-04    0.994550E+00
 110    0.319050E-02    0.122698E+02 -0.100000E-04 0.100000E-04    0.552300E+00
 111    0.472721E-02    0.984144E+01 -0.100000E-04 0.100000E-04    0.849506E+00
 112    0.307538E-02    0.933468E+01 -0.109000E-04 0.109000E-04    0.128522E+00
 113    0.170292E-01    0.739657E+01 -0.141965E-04 0.141965E-04    0.192038E+00
 114   -0.567665E+00    0.445380E+01 -0.400000E-03 0.400000E-03    0.401610E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1254503895    

 Beginning of optimization cycle  281.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3684314580
 potential> RMS force:                                               0.0533602546   |gradient|=.5697316135    
 Eigenvalues of the Hessian matrix:
   730.42456    673.12580    626.36596    604.43274    588.72749    569.40788 
   566.53866    481.74470    466.16150    461.64809    441.34527    430.05076 
   421.60625    407.56111    397.63216    388.84782    367.58863    362.17671 
   351.19405    337.26370    325.39071    321.53057    319.88005    313.91642 
   304.45439    288.18500    279.03889    270.71764    266.46295    263.83221 
   258.97402    253.81301    242.47961    237.80309    235.58623    228.65239 
   221.17064    213.38849    212.02861    207.71771    203.45028    197.79299 
   195.41568    191.57806    184.77458    175.65585    171.55764    167.58088 
   165.32639    159.48140    153.73083    151.09826    148.98835    143.15101 
   137.01624    135.63409    130.75044    127.85141    126.05745    125.55570 
   119.64862    118.02322    116.93226    111.33208    108.34156    104.91088 
   103.04098     99.86102     96.26102     95.07170     92.30493     90.38992 
    89.81376     84.84922     80.91657     79.68700     78.35766     72.73260 
    71.98778     68.29730     67.18382     63.32599     60.61099     59.69023 
    59.02290     55.99874     52.96847     52.24819     50.14181     47.72954 
    42.96033     40.26574     37.21150     35.97405     35.18823     28.84009 
    28.70713     27.90025     22.92351     21.66642     20.16454     16.82521 
    13.77452     12.26916      9.84159      9.32627      7.39264      4.44973 
overlap for current and previous eigenvector    109 is         0.9999995118
overlap for current and previous eigenvector    110 is         0.9999993960
overlap for current and previous eigenvector    111 is        -0.9999663671
overlap for current and previous eigenvector    112 is         0.9999617245
overlap for current and previous eigenvector    113 is         0.9999950480
overlap for current and previous eigenvector    114 is         0.9999996844
J1,K1,R1,R2,RAT=   7   7   -0.8790489707E-02     2.008621613        0.9912095103    
FOB,PFOB,DIAG,PSTEP=   -0.2882790678E-05   -0.2857668254E-05     730.4245615        0.3912669044E-08
J1,K1,R1,R2,RAT=   8   8   -0.8552353122E-02     2.008521982        0.9914476469    
FOB,PFOB,DIAG,PSTEP=   -0.3797683206E-05   -0.3765479011E-05     673.1258007        0.5594104682E-08
J1,K1,R1,R2,RAT=   9   9    0.7961656198E-01     1.920342287        0.9203422873    
FOB,PFOB,DIAG,PSTEP=    0.2799565769E-06    0.3041743948E-06     626.3659600       -0.4856276886E-09
J1,K1,R1,R2,RAT=  10  10    0.3975620887E-02     1.996036396        0.9960243791    
FOB,PFOB,DIAG,PSTEP=    0.1793023759E-05    0.1800180551E-05     604.4327401       -0.2978279658E-08
J1,K1,R1,R2,RAT=  11  11    0.1104584759E-01     1.988985285        0.9889541524    
FOB,PFOB,DIAG,PSTEP=   -0.1226766244E-05   -0.1240468052E-05     588.7274930        0.2106999855E-08
J1,K1,R1,R2,RAT= 109 109   -0.6100863633E-02     2.006069049        0.9938991364    
FOB,PFOB,DIAG,PSTEP=    0.7709173973E-04    0.7662425814E-04     13.77452170       -0.5562841216E-05
J1,K1,R1,R2,RAT= 110 110   -0.4427221539         52.45116160        0.5572778461    
FOB,PFOB,DIAG,PSTEP=    0.3244816801E-02    0.3190498525E-02     12.26915693       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     95.92569454        0.1402294754        0.8597705246    
FOB,PFOB,DIAG,PSTEP=   -0.4713407919E-02    0.4727208733E-02     9.841593223       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7536813005         61.25907095        0.2463186995    
FOB,PFOB,DIAG,PSTEP=    0.3151995983E-02    0.3075379470E-02     9.326273481       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7060461486         325.2274614        0.2939538514    
FOB,PFOB,DIAG,PSTEP=    0.1710332777E-01    0.1702922837E-01     7.392639376       -0.1419652602E-04
J1,K1,R1,R2,RAT= 114 114    0.9958668327        -638.8599402        0.4133167253E-02
FOB,PFOB,DIAG,PSTEP=   -0.5694372698       -0.5676647340         4.449731202       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00001     -0.00000     -0.00002      0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
     0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002     -0.00003     -0.00002     -0.00002      0.00001      0.00003 
     0.00000     -0.00001      0.00000      0.00002      0.00000      0.00005 
     0.00002     -0.00003     -0.00005      0.00002     -0.00006     -0.00000 
     0.00002     -0.00002     -0.00002     -0.00000     -0.00001     -0.00003 
     0.00004     -0.00001      0.00004     -0.00000     -0.00005      0.00003 
     0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
     0.00004      0.00003      0.00011      0.00011     -0.00001     -0.00009 
     0.00000      0.00007     -0.00005      0.00001      0.00012     -0.00002 
     0.00008      0.00324     -0.00471      0.00315      0.01710     -0.56944 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4321822688
 Log product of positive Hessian eigenvalues =          519.9894026824
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4497312016
 Unscaled step for mode    7=        0.0000000039
 Unscaled step for mode    8=        0.0000000056
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000004
 Unscaled step for mode   13=        0.0000000057
 Unscaled step for mode   14=        0.0000000070
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000106
 Unscaled step for mode   17=       -0.0000000087
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000336
 Unscaled step for mode   20=       -0.0000000206
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000136
 Unscaled step for mode   23=        0.0000000003
 Unscaled step for mode   24=        0.0000000010
 Unscaled step for mode   25=        0.0000000496
 Unscaled step for mode   26=        0.0000000860
 Unscaled step for mode   27=        0.0000000448
 Unscaled step for mode   28=       -0.0000000269
 Unscaled step for mode   29=       -0.0000000127
 Unscaled step for mode   30=        0.0000000747
 Unscaled step for mode   31=        0.0000000348
 Unscaled step for mode   32=        0.0000000162
 Unscaled step for mode   33=       -0.0000000356
 Unscaled step for mode   34=       -0.0000000275
 Unscaled step for mode   35=       -0.0000000863
 Unscaled step for mode   36=       -0.0000000508
 Unscaled step for mode   37=        0.0000000579
 Unscaled step for mode   38=        0.0000000108
 Unscaled step for mode   39=        0.0000000716
 Unscaled step for mode   40=       -0.0000000003
 Unscaled step for mode   41=        0.0000001337
 Unscaled step for mode   42=        0.0000000392
 Unscaled step for mode   43=       -0.0000000460
 Unscaled step for mode   44=        0.0000000878
 Unscaled step for mode   45=       -0.0000000062
 Unscaled step for mode   46=       -0.0000000906
 Unscaled step for mode   47=        0.0000001397
 Unscaled step for mode   48=       -0.0000000161
 Unscaled step for mode   49=        0.0000001051
 Unscaled step for mode   50=        0.0000000475
 Unscaled step for mode   51=        0.0000000729
 Unscaled step for mode   52=        0.0000000105
 Unscaled step for mode   53=       -0.0000000635
 Unscaled step for mode   54=        0.0000000779
 Unscaled step for mode   55=       -0.0000001153
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=       -0.0000000471
 Unscaled step for mode   58=        0.0000001386
 Unscaled step for mode   59=       -0.0000000134
 Unscaled step for mode   60=       -0.0000001352
 Unscaled step for mode   61=       -0.0000001508
 Unscaled step for mode   62=        0.0000002282
 Unscaled step for mode   63=        0.0000001703
 Unscaled step for mode   64=        0.0000001444
 Unscaled step for mode   65=       -0.0000000525
 Unscaled step for mode   66=       -0.0000002020
 Unscaled step for mode   67=       -0.0000000399
 Unscaled step for mode   68=        0.0000000716
 Unscaled step for mode   69=       -0.0000000363
 Unscaled step for mode   70=       -0.0000001951
 Unscaled step for mode   71=       -0.0000000398
 Unscaled step for mode   72=       -0.0000004461
 Unscaled step for mode   73=       -0.0000002272
 Unscaled step for mode   74=        0.0000002976
 Unscaled step for mode   75=        0.0000005691
 Unscaled step for mode   76=       -0.0000002621
 Unscaled step for mode   77=        0.0000006698
 Unscaled step for mode   78=        0.0000000073
 Unscaled step for mode   79=       -0.0000001723
 Unscaled step for mode   80=        0.0000002324
 Unscaled step for mode   81=        0.0000002376
 Unscaled step for mode   82=        0.0000000591
 Unscaled step for mode   83=        0.0000001865
 Unscaled step for mode   84=        0.0000004471
 Unscaled step for mode   85=       -0.0000005792
 Unscaled step for mode   86=        0.0000001241
 Unscaled step for mode   87=       -0.0000005928
 Unscaled step for mode   88=        0.0000000297
 Unscaled step for mode   89=        0.0000008251
 Unscaled step for mode   90=       -0.0000004283
 Unscaled step for mode   91=       -0.0000000084
 Unscaled step for mode   92=        0.0000010383
 Unscaled step for mode   93=       -0.0000006631
 Unscaled step for mode   94=       -0.0000007766
 Unscaled step for mode   95=       -0.0000005731
 Unscaled step for mode   96=       -0.0000002160
 Unscaled step for mode   97=       -0.0000008828
 Unscaled step for mode   98=       -0.0000008641
 Unscaled step for mode   99=       -0.0000029547
 Unscaled step for mode  100=       -0.0000030769
 Unscaled step for mode  101=        0.0000002732
 Unscaled step for mode  102=        0.0000031856
 Unscaled step for mode  103=       -0.0000001393
 Unscaled step for mode  104=       -0.0000024196
 Unscaled step for mode  105=        0.0000021597
 Unscaled step for mode  106=       -0.0000003542
 Unscaled step for mode  107=       -0.0000059955
 Unscaled step for mode  108=        0.0000013000
 Unscaled step for mode  109=       -0.0000055967
 Unscaled step for mode  110=       -0.0002644694
 Unscaled step for mode  111=        0.0004789272
 Unscaled step for mode  112=       -0.0003379695
 Unscaled step for mode  113=       -0.0023135494
 Unscaled step for mode  114=       -0.1259413812
 Largest modulus ratio of non-zero e/values=           164.1502663    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.438885E-15    0.101894E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.517273E-15    0.100724E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.474881E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.108203E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.605122E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.150813E-15    0.973816E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.288279E-05    0.730425E+03  0.394673E-08 0.100000E-04    0.991210E+00
   8   -0.379768E-05    0.673126E+03  0.564186E-08 0.100000E-04    0.991448E+00
   9    0.279957E-06    0.626366E+03 -0.446954E-09 0.100000E-04    0.920342E+00
  10    0.179302E-05    0.604433E+03 -0.296646E-08 0.100000E-04    0.996024E+00
  11   -0.122677E-05    0.588727E+03  0.208376E-08 0.100000E-04    0.988954E+00
  12   -0.249908E-06    0.569408E+03  0.438891E-09 0.100000E-04    0.590392E+00
  13   -0.323436E-05    0.566539E+03  0.570898E-08 0.100000E-04    0.998738E+00
  14   -0.337021E-05    0.481745E+03  0.699583E-08 0.100000E-04    0.986233E+00
  15    0.177731E-05    0.466161E+03 -0.381265E-08 0.100000E-04    0.995599E+00
  16    0.488398E-05    0.461648E+03 -0.105794E-07 0.100000E-04    0.996504E+00
  17    0.382769E-05    0.441345E+03 -0.867278E-08 0.100000E-04    0.996740E+00
  18    0.481256E-05    0.430051E+03 -0.111907E-07 0.100000E-04    0.995159E+00
  19   -0.141566E-04    0.421606E+03  0.335777E-07 0.100000E-04    0.998008E+00
  20    0.839523E-05    0.407561E+03 -0.205987E-07 0.100000E-04    0.994622E+00
  21    0.728164E-05    0.397632E+03 -0.183125E-07 0.100000E-04    0.997502E+00
  22   -0.528676E-05    0.388848E+03  0.135959E-07 0.100000E-04    0.988485E+00
  23   -0.100483E-06    0.367589E+03  0.273357E-09 0.100000E-04    0.683120E+00
  24   -0.350573E-06    0.362177E+03  0.967960E-09 0.100000E-04    0.836262E+00
  25   -0.174040E-04    0.351194E+03  0.495567E-07 0.100000E-04    0.997906E+00
  26   -0.290058E-04    0.337264E+03  0.860034E-07 0.100000E-04    0.997294E+00
  27   -0.145705E-04    0.325391E+03  0.447786E-07 0.100000E-04    0.997525E+00
  28    0.866472E-05    0.321531E+03 -0.269484E-07 0.100000E-04    0.988010E+00
  29    0.406902E-05    0.319880E+03 -0.127204E-07 0.100000E-04    0.981292E+00
  30   -0.234573E-04    0.313916E+03  0.747247E-07 0.100000E-04    0.996671E+00
  31   -0.105973E-04    0.304454E+03  0.348076E-07 0.100000E-04    0.991595E+00
  32   -0.465572E-05    0.288185E+03  0.161553E-07 0.100000E-04    0.987325E+00
  33    0.994323E-05    0.279039E+03 -0.356338E-07 0.100000E-04    0.996611E+00
  34    0.744837E-05    0.270718E+03 -0.275134E-07 0.100000E-04    0.993340E+00
  35    0.229946E-04    0.266463E+03 -0.862955E-07 0.100000E-04    0.997274E+00
  36    0.133976E-04    0.263832E+03 -0.507808E-07 0.100000E-04    0.990724E+00
  37   -0.149989E-04    0.258974E+03  0.579167E-07 0.100000E-04    0.996319E+00
  38   -0.274578E-05    0.253813E+03  0.108181E-07 0.100000E-04    0.988477E+00
  39   -0.173632E-04    0.242480E+03  0.716067E-07 0.100000E-04    0.998336E+00
  40    0.652757E-07    0.237803E+03 -0.274495E-09 0.100000E-04    0.204877E+00
  41   -0.315048E-04    0.235586E+03  0.133729E-06 0.100000E-04    0.992927E+00
  42   -0.895214E-05    0.228652E+03  0.391518E-07 0.100000E-04    0.988204E+00
  43    0.101742E-04    0.221171E+03 -0.460016E-07 0.100000E-04    0.990769E+00
  44   -0.187413E-04    0.213388E+03  0.878270E-07 0.100000E-04    0.990304E+00
  45    0.131718E-05    0.212029E+03 -0.621229E-08 0.100000E-04    0.972774E+00
  46    0.188177E-04    0.207718E+03 -0.905924E-07 0.100000E-04    0.993780E+00
  47   -0.284197E-04    0.203450E+03  0.139689E-06 0.100000E-04    0.996747E+00
  48    0.317632E-05    0.197793E+03 -0.160588E-07 0.100000E-04    0.994710E+00
  49   -0.205321E-04    0.195416E+03  0.105069E-06 0.100000E-04    0.994637E+00
  50   -0.910160E-05    0.191578E+03  0.475086E-07 0.100000E-04    0.993107E+00
  51   -0.134663E-04    0.184775E+03  0.728794E-07 0.100000E-04    0.996140E+00
  52   -0.183649E-05    0.175656E+03  0.104550E-07 0.100000E-04    0.983163E+00
  53    0.108956E-04    0.171558E+03 -0.635101E-07 0.100000E-04    0.999045E+00
  54   -0.130559E-04    0.167581E+03  0.779083E-07 0.100000E-04    0.993835E+00
  55    0.190667E-04    0.165326E+03 -0.115328E-06 0.100000E-04    0.997643E+00
  56   -0.594938E-05    0.159481E+03  0.373045E-07 0.100000E-04    0.992887E+00
  57    0.723885E-05    0.153731E+03 -0.470878E-07 0.100000E-04    0.998637E+00
  58   -0.209391E-04    0.151098E+03  0.138579E-06 0.100000E-04    0.996629E+00
  59    0.200280E-05    0.148988E+03 -0.134426E-07 0.100000E-04    0.962230E+00
  60    0.193519E-04    0.143151E+03 -0.135185E-06 0.100000E-04    0.998054E+00
  61    0.206680E-04    0.137016E+03 -0.150843E-06 0.100000E-04    0.996862E+00
  62   -0.309576E-04    0.135634E+03  0.228244E-06 0.100000E-04    0.999532E+00
  63   -0.222649E-04    0.130750E+03  0.170286E-06 0.100000E-04    0.998549E+00
  64   -0.184632E-04    0.127851E+03  0.144412E-06 0.100000E-04    0.993233E+00
  65    0.662282E-05    0.126057E+03 -0.525381E-07 0.100000E-04    0.978245E+00
  66    0.253653E-04    0.125556E+03 -0.202025E-06 0.100000E-04    0.999002E+00
  67    0.477446E-05    0.119649E+03 -0.399040E-07 0.100000E-04    0.978148E+00
  68   -0.845445E-05    0.118023E+03  0.716338E-07 0.100000E-04    0.999981E+00
  69    0.424489E-05    0.116932E+03 -0.363021E-07 0.100000E-04    0.998243E+00
  70    0.217256E-04    0.111332E+03 -0.195143E-06 0.100000E-04    0.993065E+00
  71    0.431182E-05    0.108342E+03 -0.397984E-07 0.100000E-04    0.987364E+00
  72    0.467989E-04    0.104911E+03 -0.446083E-06 0.100000E-04    0.995669E+00
  73    0.234158E-04    0.103041E+03 -0.227247E-06 0.100000E-04    0.996855E+00
  74   -0.297158E-04    0.998610E+02  0.297572E-06 0.100000E-04    0.998806E+00
  75   -0.547794E-04    0.962610E+02  0.569072E-06 0.100000E-04    0.993487E+00
  76    0.249137E-04    0.950717E+02 -0.262052E-06 0.100000E-04    0.991797E+00
  77   -0.618296E-04    0.923049E+02  0.669840E-06 0.100000E-04    0.998833E+00
  78   -0.659929E-06    0.903899E+02  0.730091E-08 0.100000E-04    0.907373E+00
  79    0.154717E-04    0.898138E+02 -0.172264E-06 0.100000E-04    0.989753E+00
  80   -0.197230E-04    0.848492E+02  0.232448E-06 0.100000E-04    0.998875E+00
  81   -0.192249E-04    0.809166E+02  0.237589E-06 0.100000E-04    0.996167E+00
  82   -0.470570E-05    0.796870E+02  0.590522E-07 0.100000E-04    0.964525E+00
  83   -0.146175E-04    0.783577E+02  0.186548E-06 0.100000E-04    0.999082E+00
  84   -0.325207E-04    0.727326E+02  0.447127E-06 0.100000E-04    0.997384E+00
  85    0.416956E-04    0.719878E+02 -0.579204E-06 0.100000E-04    0.998759E+00
  86   -0.847769E-05    0.682973E+02  0.124129E-06 0.100000E-04    0.969024E+00
  87    0.398292E-04    0.671838E+02 -0.592839E-06 0.100000E-04    0.999949E+00
  88   -0.187879E-05    0.633260E+02  0.296685E-07 0.100000E-04    0.917247E+00
  89   -0.500111E-04    0.606110E+02  0.825115E-06 0.100000E-04    0.999778E+00
  90    0.255673E-04    0.596902E+02 -0.428334E-06 0.100000E-04    0.999271E+00
  91    0.498362E-06    0.590229E+02 -0.844353E-08 0.100000E-04    0.925702E+00
  92   -0.581417E-04    0.559987E+02  0.103827E-05 0.100000E-04    0.998872E+00
  93    0.351219E-04    0.529685E+02 -0.663072E-06 0.100000E-04    0.995985E+00
  94    0.405775E-04    0.522482E+02 -0.776630E-06 0.100000E-04    0.996698E+00
  95    0.287362E-04    0.501418E+02 -0.573099E-06 0.100000E-04    0.996505E+00
  96    0.103097E-04    0.477295E+02 -0.216002E-06 0.100000E-04    0.996979E+00
  97    0.379268E-04    0.429603E+02 -0.882832E-06 0.100000E-04    0.996791E+00
  98    0.347929E-04    0.402657E+02 -0.864083E-06 0.100000E-04    0.997175E+00
  99    0.109949E-03    0.372115E+02 -0.295471E-05 0.100000E-04    0.999367E+00
 100    0.110688E-03    0.359740E+02 -0.307690E-05 0.100000E-04    0.995948E+00
 101   -0.961364E-05    0.351882E+02  0.273206E-06 0.100000E-04    0.995138E+00
 102   -0.918722E-04    0.288401E+02  0.318557E-05 0.100000E-04    0.998836E+00
 103    0.399829E-05    0.287071E+02 -0.139279E-06 0.100000E-04    0.869255E+00
 104    0.675062E-04    0.279003E+02 -0.241955E-05 0.100000E-04    0.992702E+00
 105   -0.495080E-04    0.229235E+02  0.215970E-05 0.100000E-04    0.997730E+00
 106    0.767361E-05    0.216664E+02 -0.354171E-06 0.100000E-04    0.960526E+00
 107    0.120896E-03    0.201645E+02 -0.599546E-05 0.100000E-04    0.993357E+00
 108   -0.218726E-04    0.168252E+02  0.129999E-05 0.100000E-04    0.993075E+00
 109    0.770917E-04    0.137745E+02 -0.559669E-05 0.100000E-04    0.993899E+00
 110    0.324482E-02    0.122692E+02 -0.100000E-04 0.100000E-04    0.557278E+00
 111   -0.471341E-02    0.984159E+01  0.100000E-04 0.100000E-04    0.859771E+00
 112    0.315200E-02    0.932627E+01 -0.100000E-04 0.100000E-04    0.246319E+00
 113    0.171033E-01    0.739264E+01 -0.127897E-04 0.127897E-04    0.293954E+00
 114   -0.569437E+00    0.444973E+01 -0.400000E-03 0.400000E-03    0.413317E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1259413812    

 Beginning of optimization cycle  282.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3682036563
 potential> RMS force:                                               0.0535263264   |gradient|=.5715047758    
 Eigenvalues of the Hessian matrix:
   730.48628    673.13607    626.37875    604.42904    588.71835    569.45009 
   566.54858    481.76855    466.13821    461.64039    441.34582    430.04265 
   421.61154    407.57011    397.62726    388.84809    367.59444    362.16753 
   351.18656    337.23782    325.40053    321.52900    319.89030    313.88873 
   304.44535    288.19260    279.03345    270.71675    266.47120    263.84119 
   258.98534    253.81547    242.47484    237.80851    235.57888    228.65038 
   221.15027    213.39615    212.03377    207.70865    203.45298    197.78790 
   195.41322    191.57730    184.76430    175.64351    171.56374    167.57922 
   165.32141    159.47229    153.73511    151.10223    148.98308    143.15354 
   137.01760    135.63853    130.74874    127.85501    126.05746    125.55810 
   119.65049    118.02417    116.93431    111.32559    108.33154    104.90770 
   103.04226     99.85895     96.25255     95.06934     92.31751     90.38944 
    89.81525     84.85197     80.91663     79.68969     78.35623     72.73309 
    71.99219     68.29706     67.17174     63.32439     60.60108     59.69109 
    59.02428     55.99976     52.96443     52.24890     50.14038     47.72642 
    42.95814     40.26818     37.21541     35.97865     35.17720     28.83947 
    28.70622     27.89195     22.92415     21.66144     20.16938     16.82519 
    13.77474     12.26856      9.84181      9.31775      7.38867      4.44565 
overlap for current and previous eigenvector    109 is         0.9999995117
overlap for current and previous eigenvector    110 is         0.9999993988
overlap for current and previous eigenvector    111 is         0.9999683227
overlap for current and previous eigenvector    112 is         0.9999635879
overlap for current and previous eigenvector    113 is         0.9999949800
overlap for current and previous eigenvector    114 is        -0.9999996904
J1,K1,R1,R2,RAT=   7   7   -0.9369211578E-02     2.009200232        0.9906307884    
FOB,PFOB,DIAG,PSTEP=   -0.2909802436E-05   -0.2882790678E-05     730.4862801        0.3946732941E-08
J1,K1,R1,R2,RAT=   8   8   -0.8490529887E-03     2.000818532        0.9991509470    
FOB,PFOB,DIAG,PSTEP=   -0.3800907690E-05   -0.3797683206E-05     673.1360731        0.5641862490E-08
J1,K1,R1,R2,RAT=   9   9   -0.4050651392E-01     2.040465687        0.9594934861    
FOB,PFOB,DIAG,PSTEP=    0.2912968734E-06    0.2799565769E-06     626.3787465       -0.4469536897E-09
J1,K1,R1,R2,RAT=  10  10   -0.1016745618E-01     2.010179690        0.9898325438    
FOB,PFOB,DIAG,PSTEP=    0.1811254138E-05    0.1793023759E-05     604.4290430       -0.2966457043E-08
J1,K1,R1,R2,RAT=  11  11   -0.1888953331E-01     2.018920599        0.9811104667    
FOB,PFOB,DIAG,PSTEP=   -0.1249938926E-05   -0.1226766244E-05     588.7183485        0.2083759054E-08
J1,K1,R1,R2,RAT= 109 109    0.8579555129E-02     1.991388495        0.9913884949    
FOB,PFOB,DIAG,PSTEP=    0.7643031633E-04    0.7709173973E-04     13.77474175       -0.5596690862E-05
J1,K1,R1,R2,RAT= 110 110   -0.4549853201         53.35142331        0.5450146799    
FOB,PFOB,DIAG,PSTEP=    0.3300636968E-02    0.3244816801E-02     12.26856448       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1657581677         95.61755026        0.8342418323    
FOB,PFOB,DIAG,PSTEP=   -0.4697094307E-02   -0.4713407919E-02     9.841814814        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8543496378         68.51006658        0.1456503622    
FOB,PFOB,DIAG,PSTEP=    0.3231602164E-02    0.3151995983E-02     9.317752071       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8449997964         362.8254908        0.1550002036    
FOB,PFOB,DIAG,PSTEP=    0.1718317908E-01    0.1710332777E-01     7.388671283       -0.1278966308E-04
J1,K1,R1,R2,RAT= 114 114    -641.4391108        0.9959446784        0.4055321627E-02
FOB,PFOB,DIAG,PSTEP=    0.5712083185       -0.5694372698         4.445650293       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002     -0.00003     -0.00002     -0.00002      0.00001      0.00003 
     0.00000     -0.00001      0.00000      0.00002      0.00000      0.00005 
    -0.00002     -0.00003     -0.00006      0.00002     -0.00006     -0.00000 
     0.00002     -0.00002      0.00002      0.00000      0.00001     -0.00003 
     0.00004     -0.00001      0.00004     -0.00000     -0.00005      0.00003 
     0.00000     -0.00006      0.00004      0.00004      0.00003      0.00001 
     0.00004      0.00004      0.00011      0.00011     -0.00001     -0.00009 
     0.00000      0.00007     -0.00005     -0.00001     -0.00012     -0.00002 
     0.00008      0.00330     -0.00470      0.00323      0.01718      0.57121 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4320720188
 Log product of positive Hessian eigenvalues =          519.9860863686
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4456502934
 Unscaled step for mode    7=        0.0000000040
 Unscaled step for mode    8=        0.0000000056
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000004
 Unscaled step for mode   13=        0.0000000057
 Unscaled step for mode   14=        0.0000000070
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000106
 Unscaled step for mode   17=       -0.0000000088
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000337
 Unscaled step for mode   20=       -0.0000000207
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000136
 Unscaled step for mode   23=        0.0000000004
 Unscaled step for mode   24=        0.0000000010
 Unscaled step for mode   25=        0.0000000498
 Unscaled step for mode   26=        0.0000000863
 Unscaled step for mode   27=        0.0000000449
 Unscaled step for mode   28=       -0.0000000274
 Unscaled step for mode   29=       -0.0000000129
 Unscaled step for mode   30=        0.0000000747
 Unscaled step for mode   31=        0.0000000350
 Unscaled step for mode   32=        0.0000000162
 Unscaled step for mode   33=       -0.0000000358
 Unscaled step for mode   34=       -0.0000000277
 Unscaled step for mode   35=       -0.0000000862
 Unscaled step for mode   36=       -0.0000000510
 Unscaled step for mode   37=        0.0000000582
 Unscaled step for mode   38=        0.0000000107
 Unscaled step for mode   39=        0.0000000718
 Unscaled step for mode   40=        0.0000000006
 Unscaled step for mode   41=        0.0000001342
 Unscaled step for mode   42=        0.0000000391
 Unscaled step for mode   43=       -0.0000000462
 Unscaled step for mode   44=        0.0000000880
 Unscaled step for mode   45=       -0.0000000062
 Unscaled step for mode   46=       -0.0000000910
 Unscaled step for mode   47=        0.0000001397
 Unscaled step for mode   48=       -0.0000000163
 Unscaled step for mode   49=        0.0000001053
 Unscaled step for mode   50=        0.0000000480
 Unscaled step for mode   51=        0.0000000732
 Unscaled step for mode   52=       -0.0000000106
 Unscaled step for mode   53=        0.0000000639
 Unscaled step for mode   54=        0.0000000784
 Unscaled step for mode   55=        0.0000001154
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000477
 Unscaled step for mode   58=        0.0000001390
 Unscaled step for mode   59=       -0.0000000131
 Unscaled step for mode   60=       -0.0000001358
 Unscaled step for mode   61=       -0.0000001523
 Unscaled step for mode   62=        0.0000002284
 Unscaled step for mode   63=        0.0000001710
 Unscaled step for mode   64=        0.0000001457
 Unscaled step for mode   65=       -0.0000000547
 Unscaled step for mode   66=       -0.0000002021
 Unscaled step for mode   67=       -0.0000000397
 Unscaled step for mode   68=        0.0000000720
 Unscaled step for mode   69=       -0.0000000368
 Unscaled step for mode   70=       -0.0000001953
 Unscaled step for mode   71=       -0.0000000398
 Unscaled step for mode   72=       -0.0000004482
 Unscaled step for mode   73=        0.0000002284
 Unscaled step for mode   74=        0.0000002979
 Unscaled step for mode   75=        0.0000005732
 Unscaled step for mode   76=       -0.0000002600
 Unscaled step for mode   77=        0.0000006707
 Unscaled step for mode   78=        0.0000000072
 Unscaled step for mode   79=       -0.0000001705
 Unscaled step for mode   80=        0.0000002335
 Unscaled step for mode   81=       -0.0000002380
 Unscaled step for mode   82=       -0.0000000581
 Unscaled step for mode   83=       -0.0000001872
 Unscaled step for mode   84=        0.0000004500
 Unscaled step for mode   85=       -0.0000005823
 Unscaled step for mode   86=        0.0000001201
 Unscaled step for mode   87=       -0.0000005960
 Unscaled step for mode   88=        0.0000000290
 Unscaled step for mode   89=        0.0000008292
 Unscaled step for mode   90=       -0.0000004328
 Unscaled step for mode   91=       -0.0000000097
 Unscaled step for mode   92=        0.0000010406
 Unscaled step for mode   93=       -0.0000006622
 Unscaled step for mode   94=       -0.0000007796
 Unscaled step for mode   95=       -0.0000005715
 Unscaled step for mode   96=       -0.0000002137
 Unscaled step for mode   97=       -0.0000008908
 Unscaled step for mode   98=       -0.0000008703
 Unscaled step for mode   99=       -0.0000029723
 Unscaled step for mode  100=       -0.0000030776
 Unscaled step for mode  101=        0.0000002863
 Unscaled step for mode  102=        0.0000031971
 Unscaled step for mode  103=       -0.0000001259
 Unscaled step for mode  104=       -0.0000024270
 Unscaled step for mode  105=        0.0000021777
 Unscaled step for mode  106=        0.0000003823
 Unscaled step for mode  107=        0.0000060211
 Unscaled step for mode  108=        0.0000012365
 Unscaled step for mode  109=       -0.0000055486
 Unscaled step for mode  110=       -0.0002690320
 Unscaled step for mode  111=        0.0004772589
 Unscaled step for mode  112=       -0.0003468220
 Unscaled step for mode  113=       -0.0023255989
 Unscaled step for mode  114=        0.1264331038
 Largest modulus ratio of non-zero e/values=           164.3148318    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.351715E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.269099E-15    0.100724E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.173839E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.113679E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.112930E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.353748E-15    0.973818E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.290980E-05    0.730486E+03  0.398338E-08 0.100000E-04    0.990631E+00
   8   -0.380091E-05    0.673136E+03  0.564657E-08 0.100000E-04    0.999151E+00
   9    0.291297E-06    0.626379E+03 -0.465049E-09 0.100000E-04    0.959493E+00
  10    0.181125E-05    0.604429E+03 -0.299664E-08 0.100000E-04    0.989833E+00
  11   -0.124994E-05    0.588718E+03  0.212315E-08 0.100000E-04    0.981110E+00
  12   -0.246554E-06    0.569450E+03  0.432968E-09 0.100000E-04    0.986430E+00
  13   -0.324659E-05    0.566549E+03  0.573047E-08 0.100000E-04    0.996219E+00
  14   -0.335476E-05    0.481769E+03  0.696343E-08 0.100000E-04    0.995319E+00
  15    0.178537E-05    0.466138E+03 -0.383012E-08 0.100000E-04    0.995467E+00
  16    0.491594E-05    0.461640E+03 -0.106489E-07 0.100000E-04    0.993455E+00
  17    0.387510E-05    0.441346E+03 -0.878018E-08 0.100000E-04    0.987615E+00
  18    0.484992E-05    0.430043E+03 -0.112778E-07 0.100000E-04    0.992236E+00
  19   -0.142165E-04    0.421612E+03  0.337194E-07 0.100000E-04    0.995766E+00
  20    0.841983E-05    0.407570E+03 -0.206586E-07 0.100000E-04    0.997070E+00
  21    0.730546E-05    0.397627E+03 -0.183726E-07 0.100000E-04    0.996729E+00
  22   -0.530422E-05    0.388848E+03  0.136408E-07 0.100000E-04    0.996697E+00
  23   -0.129042E-06    0.367594E+03  0.351046E-09 0.100000E-04    0.715784E+00
  24   -0.347082E-06    0.362168E+03  0.958347E-09 0.100000E-04    0.990043E+00
  25   -0.174746E-04    0.351187E+03  0.497589E-07 0.100000E-04    0.995942E+00
  26   -0.290910E-04    0.337238E+03  0.862626E-07 0.100000E-04    0.997064E+00
  27   -0.146219E-04    0.325401E+03  0.449349E-07 0.100000E-04    0.996478E+00
  28    0.879400E-05    0.321529E+03 -0.273506E-07 0.100000E-04    0.985080E+00
  29    0.414164E-05    0.319890E+03 -0.129471E-07 0.100000E-04    0.982151E+00
  30   -0.234602E-04    0.313889E+03  0.747405E-07 0.100000E-04    0.999876E+00
  31   -0.106502E-04    0.304445E+03  0.349822E-07 0.100000E-04    0.995014E+00
  32   -0.465687E-05    0.288193E+03  0.161589E-07 0.100000E-04    0.999754E+00
  33    0.998460E-05    0.279033E+03 -0.357828E-07 0.100000E-04    0.995838E+00
  34    0.750358E-05    0.270717E+03 -0.277174E-07 0.100000E-04    0.992588E+00
  35    0.229805E-04    0.266471E+03 -0.862402E-07 0.100000E-04    0.999329E+00
  36    0.134448E-04    0.263841E+03 -0.509580E-07 0.100000E-04    0.996478E+00
  37   -0.150709E-04    0.258985E+03  0.581921E-07 0.100000E-04    0.995200E+00
  38   -0.272730E-05    0.253815E+03  0.107452E-07 0.100000E-04    0.993250E+00
  39   -0.174105E-04    0.242475E+03  0.718032E-07 0.100000E-04    0.997275E+00
  40   -0.152603E-06    0.237809E+03  0.641706E-09 0.100000E-04    0.337795E+00
  41   -0.316100E-04    0.235579E+03  0.134180E-06 0.100000E-04    0.996662E+00
  42   -0.894593E-05    0.228650E+03  0.391249E-07 0.100000E-04    0.999306E+00
  43    0.102209E-04    0.221150E+03 -0.462172E-07 0.100000E-04    0.995405E+00
  44   -0.187836E-04    0.213396E+03  0.880222E-07 0.100000E-04    0.997741E+00
  45    0.132011E-05    0.212034E+03 -0.622594E-08 0.100000E-04    0.997778E+00
  46    0.188975E-04    0.207709E+03 -0.909806E-07 0.100000E-04    0.995759E+00
  47   -0.284205E-04    0.203453E+03  0.139691E-06 0.100000E-04    0.999974E+00
  48    0.322289E-05    0.197788E+03 -0.162947E-07 0.100000E-04    0.985338E+00
  49   -0.205806E-04    0.195413E+03  0.105318E-06 0.100000E-04    0.997638E+00
  50   -0.919965E-05    0.191577E+03  0.480206E-07 0.100000E-04    0.989227E+00
  51   -0.135161E-04    0.184764E+03  0.731533E-07 0.100000E-04    0.996297E+00
  52    0.185576E-05    0.175644E+03 -0.105655E-07 0.100000E-04    0.989504E+00
  53   -0.109631E-04    0.171564E+03  0.639008E-07 0.100000E-04    0.993814E+00
  54   -0.131409E-04    0.167579E+03  0.784159E-07 0.100000E-04    0.993495E+00
  55   -0.190776E-04    0.165321E+03  0.115397E-06 0.100000E-04    0.999432E+00
  56    0.590702E-05    0.159472E+03 -0.370411E-07 0.100000E-04    0.992880E+00
  57    0.734034E-05    0.153735E+03 -0.477467E-07 0.100000E-04    0.985980E+00
  58   -0.210076E-04    0.151102E+03  0.139029E-06 0.100000E-04    0.996728E+00
  59    0.194968E-05    0.148983E+03 -0.130866E-07 0.100000E-04    0.973478E+00
  60    0.194359E-04    0.143154E+03 -0.135769E-06 0.100000E-04    0.995660E+00
  61    0.208636E-04    0.137018E+03 -0.152269E-06 0.100000E-04    0.990536E+00
  62   -0.309808E-04    0.135639E+03  0.228407E-06 0.100000E-04    0.999251E+00
  63   -0.223629E-04    0.130749E+03  0.171037E-06 0.100000E-04    0.995598E+00
  64   -0.186237E-04    0.127855E+03  0.145663E-06 0.100000E-04    0.991308E+00
  65    0.689590E-05    0.126057E+03 -0.547044E-07 0.100000E-04    0.958767E+00
  66    0.253745E-04    0.125558E+03 -0.202094E-06 0.100000E-04    0.999638E+00
  67    0.474635E-05    0.119650E+03 -0.396684E-07 0.100000E-04    0.994082E+00
  68   -0.849618E-05    0.118024E+03  0.719867E-07 0.100000E-04    0.995065E+00
  69    0.430248E-05    0.116934E+03 -0.367940E-07 0.100000E-04    0.986435E+00
  70    0.217366E-04    0.111326E+03 -0.195253E-06 0.100000E-04    0.999493E+00
  71    0.430795E-05    0.108332E+03 -0.397664E-07 0.100000E-04    0.999102E+00
  72    0.470198E-04    0.104908E+03 -0.448202E-06 0.100000E-04    0.995279E+00
  73   -0.235325E-04    0.103042E+03  0.228377E-06 0.100000E-04    0.995016E+00
  74   -0.297526E-04    0.998590E+02  0.297946E-06 0.100000E-04    0.998761E+00
  75   -0.551672E-04    0.962526E+02  0.573150E-06 0.100000E-04    0.992921E+00
  76    0.247193E-04    0.950693E+02 -0.260013E-06 0.100000E-04    0.992196E+00
  77   -0.619201E-04    0.923175E+02  0.670729E-06 0.100000E-04    0.998536E+00
  78   -0.648567E-06    0.903894E+02  0.717525E-08 0.100000E-04    0.982783E+00
  79    0.153109E-04    0.898153E+02 -0.170471E-06 0.100000E-04    0.989574E+00
  80   -0.198092E-04    0.848520E+02  0.233456E-06 0.100000E-04    0.995630E+00
  81    0.192579E-04    0.809166E+02 -0.237997E-06 0.100000E-04    0.998282E+00
  82    0.463194E-05    0.796897E+02 -0.581247E-07 0.100000E-04    0.984259E+00
  83    0.146655E-04    0.783562E+02 -0.187164E-06 0.100000E-04    0.996716E+00
  84   -0.327276E-04    0.727331E+02  0.449968E-06 0.100000E-04    0.993640E+00
  85    0.419215E-04    0.719922E+02 -0.582306E-06 0.100000E-04    0.994584E+00
  86   -0.820570E-05    0.682971E+02  0.120147E-06 0.100000E-04    0.967917E+00
  87    0.400376E-04    0.671717E+02 -0.596049E-06 0.100000E-04    0.994765E+00
  88   -0.183345E-05    0.633244E+02  0.289533E-07 0.100000E-04    0.975866E+00
  89   -0.502518E-04    0.606011E+02  0.829223E-06 0.100000E-04    0.995186E+00
  90    0.258340E-04    0.596911E+02 -0.432795E-06 0.100000E-04    0.989571E+00
  91    0.570565E-06    0.590243E+02 -0.966661E-08 0.100000E-04    0.855122E+00
  92   -0.582723E-04    0.559998E+02  0.104058E-05 0.100000E-04    0.997755E+00
  93    0.350757E-04    0.529644E+02 -0.662250E-06 0.100000E-04    0.998683E+00
  94    0.407312E-04    0.522489E+02 -0.779561E-06 0.100000E-04    0.996211E+00
  95    0.286540E-04    0.501404E+02 -0.571476E-06 0.100000E-04    0.997140E+00
  96    0.101990E-04    0.477264E+02 -0.213697E-06 0.100000E-04    0.989261E+00
  97    0.382673E-04    0.429581E+02 -0.890803E-06 0.100000E-04    0.991022E+00
  98    0.350438E-04    0.402682E+02 -0.870260E-06 0.100000E-04    0.992791E+00
  99    0.110616E-03    0.372154E+02 -0.297231E-05 0.100000E-04    0.993941E+00
 100    0.110728E-03    0.359787E+02 -0.307761E-05 0.100000E-04    0.999639E+00
 101   -0.100711E-04    0.351772E+02  0.286295E-06 0.100000E-04    0.952406E+00
 102   -0.922025E-04    0.288395E+02  0.319709E-05 0.100000E-04    0.996405E+00
 103    0.361449E-05    0.287062E+02 -0.125913E-06 0.100000E-04    0.904007E+00
 104    0.676946E-04    0.278920E+02 -0.242703E-05 0.100000E-04    0.997208E+00
 105   -0.499227E-04    0.229241E+02  0.217774E-05 0.100000E-04    0.991622E+00
 106   -0.828031E-05    0.216614E+02  0.382260E-06 0.100000E-04    0.920919E+00
 107   -0.121441E-03    0.201694E+02  0.602108E-05 0.100000E-04    0.995488E+00
 108   -0.208047E-04    0.168252E+02  0.123652E-05 0.100000E-04    0.951177E+00
 109    0.764303E-04    0.137747E+02 -0.554858E-05 0.100000E-04    0.991388E+00
 110    0.330064E-02    0.122686E+02 -0.100000E-04 0.100000E-04    0.545015E+00
 111   -0.469709E-02    0.984181E+01  0.100000E-04 0.100000E-04    0.834242E+00
 112    0.323160E-02    0.931775E+01 -0.109000E-04 0.109000E-04    0.145650E+00
 113    0.171832E-01    0.738867E+01 -0.139407E-04 0.139407E-04    0.155000E+00
 114    0.571208E+00    0.444565E+01  0.400000E-03 0.400000E-03    0.405532E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1264331038    

 Beginning of optimization cycle  283.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3679751713
 potential> RMS force:                                               0.0536922148   |gradient|=.5732759791    
 Eigenvalues of the Hessian matrix:
   730.54799    673.14624    626.39158    604.42522    588.70915    569.49238 
   566.55822    481.79239    466.11487    461.63272    441.34639    430.03465 
   421.61675    407.57901    397.62231    388.84825    367.60032    362.15836 
   351.17907    337.21210    325.41045    321.52741    319.90046    313.86106 
   304.43627    288.20019    279.02806    270.71594    266.47950    263.85018 
   258.99678    253.81790    242.47011    237.81421    235.57136    228.64835 
   221.12990    213.40387    212.03897    207.69964    203.45564    197.78278 
   195.41075    191.57656    184.75405    175.63117    171.56988    167.57762 
   165.31639    159.46316    153.73943    151.10623    148.97769    143.15604 
   137.01900    135.64296    130.74701    127.85865    126.05748    125.56041 
   119.65238    118.02512    116.93633    111.31911    108.32151    104.90451 
   103.04354     99.85689     96.24408     95.06690     92.33010     90.38910 
    89.81657     84.85475     80.91671     79.69238     78.35481     72.73360 
    71.99657     68.29681     67.15960     63.32277     60.59115     59.69197 
    59.02566     56.00077     52.96040     52.24959     50.13896     47.72326 
    42.95601     40.27061     37.21935     35.98322     35.16613     28.83886 
    28.70530     27.88367     22.92482     21.65642     20.17423     16.82514 
    13.77497     12.26798      9.84211      9.30930      7.38465      4.44155 
overlap for current and previous eigenvector    109 is        -0.9999995191
overlap for current and previous eigenvector    110 is         0.9999994021
overlap for current and previous eigenvector    111 is         0.9999709202
overlap for current and previous eigenvector    112 is         0.9999661529
overlap for current and previous eigenvector    113 is         0.9999949558
overlap for current and previous eigenvector    114 is         0.9999996869
J1,K1,R1,R2,RAT=   7   7   -0.8725504695E-02     2.008556554        0.9912744953    
FOB,PFOB,DIAG,PSTEP=   -0.2935194076E-05   -0.2909802436E-05     730.5479934        0.3983377259E-08
J1,K1,R1,R2,RAT=   8   8   -0.8445030440E-02     2.008414820        0.9915549696    
FOB,PFOB,DIAG,PSTEP=   -0.3833006956E-05   -0.3800907690E-05     673.1462411        0.5646566634E-08
J1,K1,R1,R2,RAT=   9   9    0.8636823035E-01     1.913590783        0.9135907830    
FOB,PFOB,DIAG,PSTEP=    0.2661375623E-06    0.2912968734E-06     626.3915834       -0.4650491017E-09
J1,K1,R1,R2,RAT=  10  10    0.4381977934E-02     1.995630688        0.9956180221    
FOB,PFOB,DIAG,PSTEP=    0.1803317312E-05    0.1811254138E-05     604.4252151       -0.2996636510E-08
J1,K1,R1,R2,RAT=  11  11    0.1106221918E-01     1.988969025        0.9889377808    
FOB,PFOB,DIAG,PSTEP=   -0.1236112044E-05   -0.1249938926E-05     588.7091516        0.2123152657E-08
J1,K1,R1,R2,RAT= 109 109     2.006112275       -0.6145407864E-02    0.9938545921    
FOB,PFOB,DIAG,PSTEP=   -0.7690001958E-04    0.7643031633E-04     13.77496995       -0.5548584337E-05
J1,K1,R1,R2,RAT= 110 110   -0.4502301778         54.25920369        0.5497698222    
FOB,PFOB,DIAG,PSTEP=    0.3355871115E-02    0.3300636968E-02     12.26797968       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1556638055         95.29329810        0.8443361945    
FOB,PFOB,DIAG,PSTEP=   -0.4681773709E-02   -0.4697094307E-02     9.842106637        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7384853035         64.43334110        0.2615146965    
FOB,PFOB,DIAG,PSTEP=    0.3306537280E-02    0.3231602164E-02     9.309300071       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7389071869         334.5633717        0.2610928131    
FOB,PFOB,DIAG,PSTEP=    0.1725924765E-01    0.1718317908E-01     7.384647152       -0.1394073276E-04
J1,K1,R1,R2,RAT= 114 114    0.9958303018        -644.0245178        0.4169698230E-02
FOB,PFOB,DIAG,PSTEP=    0.5729775290        0.5712083185         4.441546152        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000      0.00002 
     0.00002     -0.00003     -0.00002     -0.00002      0.00001      0.00003 
     0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
     0.00002     -0.00003     -0.00006      0.00002     -0.00006      0.00000 
    -0.00002     -0.00002      0.00002      0.00000      0.00001      0.00003 
     0.00004      0.00001     -0.00004     -0.00000     -0.00005      0.00003 
     0.00000     -0.00006     -0.00003      0.00004     -0.00003     -0.00001 
     0.00004      0.00004      0.00011      0.00011     -0.00001     -0.00009 
     0.00000      0.00007      0.00005      0.00001      0.00012      0.00002 
    -0.00008      0.00336     -0.00468      0.00331      0.01726      0.57298 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4319603202
 Log product of positive Hessian eigenvalues =          519.9827680123
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4415461524
 Unscaled step for mode    7=        0.0000000040
 Unscaled step for mode    8=        0.0000000057
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000006
 Unscaled step for mode   13=        0.0000000057
 Unscaled step for mode   14=        0.0000000069
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000107
 Unscaled step for mode   17=       -0.0000000087
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000338
 Unscaled step for mode   20=       -0.0000000205
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000138
 Unscaled step for mode   23=        0.0000000002
 Unscaled step for mode   24=        0.0000000011
 Unscaled step for mode   25=        0.0000000499
 Unscaled step for mode   26=        0.0000000865
 Unscaled step for mode   27=        0.0000000450
 Unscaled step for mode   28=       -0.0000000277
 Unscaled step for mode   29=       -0.0000000132
 Unscaled step for mode   30=        0.0000000750
 Unscaled step for mode   31=        0.0000000353
 Unscaled step for mode   32=        0.0000000164
 Unscaled step for mode   33=       -0.0000000359
 Unscaled step for mode   34=       -0.0000000279
 Unscaled step for mode   35=       -0.0000000865
 Unscaled step for mode   36=       -0.0000000514
 Unscaled step for mode   37=        0.0000000584
 Unscaled step for mode   38=        0.0000000106
 Unscaled step for mode   39=        0.0000000719
 Unscaled step for mode   40=        0.0000000017
 Unscaled step for mode   41=        0.0000001351
 Unscaled step for mode   42=        0.0000000396
 Unscaled step for mode   43=       -0.0000000466
 Unscaled step for mode   44=        0.0000000889
 Unscaled step for mode   45=       -0.0000000061
 Unscaled step for mode   46=       -0.0000000915
 Unscaled step for mode   47=        0.0000001401
 Unscaled step for mode   48=       -0.0000000164
 Unscaled step for mode   49=        0.0000001059
 Unscaled step for mode   50=        0.0000000477
 Unscaled step for mode   51=        0.0000000734
 Unscaled step for mode   52=       -0.0000000107
 Unscaled step for mode   53=        0.0000000640
 Unscaled step for mode   54=        0.0000000789
 Unscaled step for mode   55=        0.0000001156
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000478
 Unscaled step for mode   58=       -0.0000001395
 Unscaled step for mode   59=       -0.0000000125
 Unscaled step for mode   60=       -0.0000001360
 Unscaled step for mode   61=       -0.0000001527
 Unscaled step for mode   62=        0.0000002283
 Unscaled step for mode   63=        0.0000001708
 Unscaled step for mode   64=        0.0000001466
 Unscaled step for mode   65=       -0.0000000559
 Unscaled step for mode   66=       -0.0000002018
 Unscaled step for mode   67=       -0.0000000405
 Unscaled step for mode   68=       -0.0000000720
 Unscaled step for mode   69=        0.0000000368
 Unscaled step for mode   70=        0.0000001966
 Unscaled step for mode   71=        0.0000000403
 Unscaled step for mode   72=        0.0000004502
 Unscaled step for mode   73=       -0.0000002291
 Unscaled step for mode   74=        0.0000002975
 Unscaled step for mode   75=        0.0000005769
 Unscaled step for mode   76=       -0.0000002577
 Unscaled step for mode   77=        0.0000006699
 Unscaled step for mode   78=       -0.0000000077
 Unscaled step for mode   79=        0.0000001687
 Unscaled step for mode   80=        0.0000002337
 Unscaled step for mode   81=       -0.0000002389
 Unscaled step for mode   82=       -0.0000000559
 Unscaled step for mode   83=       -0.0000001873
 Unscaled step for mode   84=       -0.0000004511
 Unscaled step for mode   85=       -0.0000005816
 Unscaled step for mode   86=       -0.0000001162
 Unscaled step for mode   87=        0.0000005961
 Unscaled step for mode   88=        0.0000000312
 Unscaled step for mode   89=        0.0000008293
 Unscaled step for mode   90=       -0.0000004332
 Unscaled step for mode   91=       -0.0000000104
 Unscaled step for mode   92=        0.0000010416
 Unscaled step for mode   93=        0.0000006597
 Unscaled step for mode   94=       -0.0000007820
 Unscaled step for mode   95=        0.0000005694
 Unscaled step for mode   96=        0.0000002142
 Unscaled step for mode   97=       -0.0000008881
 Unscaled step for mode   98=       -0.0000008724
 Unscaled step for mode   99=       -0.0000029737
 Unscaled step for mode  100=       -0.0000030653
 Unscaled step for mode  101=        0.0000002886
 Unscaled step for mode  102=        0.0000032007
 Unscaled step for mode  103=       -0.0000001046
 Unscaled step for mode  104=       -0.0000024462
 Unscaled step for mode  105=       -0.0000021743
 Unscaled step for mode  106=       -0.0000003697
 Unscaled step for mode  107=       -0.0000059812
 Unscaled step for mode  108=       -0.0000012438
 Unscaled step for mode  109=        0.0000055826
 Unscaled step for mode  110=       -0.0002735471
 Unscaled step for mode  111=        0.0004756881
 Unscaled step for mode  112=       -0.0003551864
 Unscaled step for mode  113=       -0.0023371670
 Unscaled step for mode  114=        0.1269257938
 Largest modulus ratio of non-zero e/values=           164.4805589    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.227032E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.111564E-14    0.100723E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.211111E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.869096E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.499871E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.202936E-15    0.973820E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.293519E-05    0.730548E+03  0.401780E-08 0.100000E-04    0.991274E+00
   8   -0.383301E-05    0.673146E+03  0.569417E-08 0.100000E-04    0.991555E+00
   9    0.266138E-06    0.626392E+03 -0.424874E-09 0.100000E-04    0.913591E+00
  10    0.180332E-05    0.604425E+03 -0.298352E-08 0.100000E-04    0.995618E+00
  11   -0.123611E-05    0.588709E+03  0.209970E-08 0.100000E-04    0.988938E+00
  12   -0.320670E-06    0.569492E+03  0.563080E-09 0.100000E-04    0.699413E+00
  13   -0.324966E-05    0.566558E+03  0.573580E-08 0.100000E-04    0.999053E+00
  14   -0.330767E-05    0.481792E+03  0.686535E-08 0.100000E-04    0.985865E+00
  15    0.177656E-05    0.466115E+03 -0.381142E-08 0.100000E-04    0.995068E+00
  16    0.493253E-05    0.461633E+03 -0.106850E-07 0.100000E-04    0.996624E+00
  17    0.386077E-05    0.441346E+03 -0.874771E-08 0.100000E-04    0.996301E+00
  18    0.482586E-05    0.430035E+03 -0.112220E-07 0.100000E-04    0.995038E+00
  19   -0.142443E-04    0.421617E+03  0.337849E-07 0.100000E-04    0.998045E+00
  20    0.837448E-05    0.407579E+03 -0.205469E-07 0.100000E-04    0.994571E+00
  21    0.728676E-05    0.397622E+03 -0.183258E-07 0.100000E-04    0.997439E+00
  22   -0.536457E-05    0.388848E+03  0.137960E-07 0.100000E-04    0.988623E+00
  23   -0.812439E-07    0.367600E+03  0.221012E-09 0.100000E-04    0.629565E+00
  24   -0.397709E-06    0.362158E+03  0.109816E-08 0.100000E-04    0.854132E+00
  25   -0.175090E-04    0.351179E+03  0.498577E-07 0.100000E-04    0.998036E+00
  26   -0.291716E-04    0.337212E+03  0.865083E-07 0.100000E-04    0.997228E+00
  27   -0.146590E-04    0.325410E+03  0.450478E-07 0.100000E-04    0.997457E+00
  28    0.889891E-05    0.321527E+03 -0.276770E-07 0.100000E-04    0.988070E+00
  29    0.422029E-05    0.319900E+03 -0.131925E-07 0.100000E-04    0.981011E+00
  30   -0.235325E-04    0.313861E+03  0.749774E-07 0.100000E-04    0.996919E+00
  31   -0.107406E-04    0.304436E+03  0.352803E-07 0.100000E-04    0.991509E+00
  32   -0.471438E-05    0.288200E+03  0.163580E-07 0.100000E-04    0.987650E+00
  33    0.100190E-04    0.279028E+03 -0.359068E-07 0.100000E-04    0.996554E+00
  34    0.755573E-05    0.270716E+03 -0.279102E-07 0.100000E-04    0.993049E+00
  35    0.230394E-04    0.266480E+03 -0.864584E-07 0.100000E-04    0.997439E+00
  36    0.135650E-04    0.263850E+03 -0.514116E-07 0.100000E-04    0.991064E+00
  37   -0.151249E-04    0.258997E+03  0.583979E-07 0.100000E-04    0.996421E+00
  38   -0.269169E-05    0.253818E+03  0.106048E-07 0.100000E-04    0.986926E+00
  39   -0.174409E-04    0.242470E+03  0.719303E-07 0.100000E-04    0.998250E+00
  40   -0.406352E-06    0.237814E+03  0.170869E-08 0.100000E-04    0.662759E+00
  41   -0.318278E-04    0.235571E+03  0.135109E-06 0.100000E-04    0.993108E+00
  42   -0.904734E-05    0.228648E+03  0.395688E-07 0.100000E-04    0.988664E+00
  43    0.103141E-04    0.221130E+03 -0.466425E-07 0.100000E-04    0.990890E+00
  44   -0.189624E-04    0.213404E+03  0.888568E-07 0.100000E-04    0.990483E+00
  45    0.128627E-05    0.212039E+03 -0.606620E-08 0.100000E-04    0.974318E+00
  46    0.190142E-04    0.207700E+03 -0.915466E-07 0.100000E-04    0.993822E+00
  47   -0.285099E-04    0.203456E+03  0.140129E-06 0.100000E-04    0.996852E+00
  48    0.323927E-05    0.197783E+03 -0.163779E-07 0.100000E-04    0.994916E+00
  49   -0.206896E-04    0.195411E+03  0.105878E-06 0.100000E-04    0.994701E+00
  50   -0.913894E-05    0.191577E+03  0.477039E-07 0.100000E-04    0.993401E+00
  51   -0.135674E-04    0.184754E+03  0.734350E-07 0.100000E-04    0.996205E+00
  52    0.188585E-05    0.175631E+03 -0.107376E-07 0.100000E-04    0.983785E+00
  53   -0.109732E-04    0.171570E+03  0.639579E-07 0.100000E-04    0.999071E+00
  54   -0.132201E-04    0.167578E+03  0.788894E-07 0.100000E-04    0.993972E+00
  55   -0.191169E-04    0.165316E+03  0.115638E-06 0.100000E-04    0.997939E+00
  56   -0.595009E-05    0.159463E+03  0.373132E-07 0.100000E-04    0.992710E+00
  57   -0.734886E-05    0.153739E+03  0.478008E-07 0.100000E-04    0.998839E+00
  58    0.210742E-04    0.151106E+03 -0.139466E-06 0.100000E-04    0.996832E+00
  59    0.186956E-05    0.148978E+03 -0.125493E-07 0.100000E-04    0.958906E+00
  60    0.194702E-04    0.143156E+03 -0.136007E-06 0.100000E-04    0.998234E+00
  61    0.209280E-04    0.137019E+03 -0.152738E-06 0.100000E-04    0.996912E+00
  62   -0.309649E-04    0.135643E+03  0.228282E-06 0.100000E-04    0.999420E+00
  63   -0.223322E-04    0.130747E+03  0.170804E-06 0.100000E-04    0.998624E+00
  64   -0.187490E-04    0.127859E+03  0.146639E-06 0.100000E-04    0.993273E+00
  65    0.704073E-05    0.126057E+03 -0.558533E-07 0.100000E-04    0.978997E+00
  66    0.253442E-04    0.125560E+03 -0.201849E-06 0.100000E-04    0.998770E+00
  67    0.484593E-05    0.119652E+03 -0.405000E-07 0.100000E-04    0.979020E+00
  68    0.849254E-05    0.118025E+03 -0.719554E-07 0.100000E-04    0.999556E+00
  69   -0.430780E-05    0.116936E+03  0.368389E-07 0.100000E-04    0.998762E+00
  70   -0.218843E-04    0.111319E+03  0.196591E-06 0.100000E-04    0.993207E+00
  71   -0.436340E-05    0.108322E+03  0.402819E-07 0.100000E-04    0.987128E+00
  72   -0.472262E-04    0.104905E+03  0.450182E-06 0.100000E-04    0.995612E+00
  73    0.236022E-04    0.103044E+03 -0.229051E-06 0.100000E-04    0.997037E+00
  74   -0.297119E-04    0.998569E+02  0.297545E-06 0.100000E-04    0.998633E+00
  75   -0.555191E-04    0.962441E+02  0.576857E-06 0.100000E-04    0.993620E+00
  76    0.244975E-04    0.950669E+02 -0.257687E-06 0.100000E-04    0.991029E+00
  77   -0.618532E-04    0.923301E+02  0.669913E-06 0.100000E-04    0.998647E+00
  78    0.699217E-06    0.903891E+02 -0.773564E-08 0.100000E-04    0.921904E+00
  79   -0.151523E-04    0.898166E+02  0.168702E-06 0.100000E-04    0.989610E+00
  80   -0.198282E-04    0.848548E+02  0.233672E-06 0.100000E-04    0.999040E+00
  81    0.193306E-04    0.809167E+02 -0.238895E-06 0.100000E-04    0.996226E+00
  82    0.445693E-05    0.796924E+02 -0.559267E-07 0.100000E-04    0.962151E+00
  83    0.146764E-04    0.783548E+02 -0.187307E-06 0.100000E-04    0.999255E+00
  84    0.328104E-04    0.727336E+02 -0.451103E-06 0.100000E-04    0.997471E+00
  85    0.418708E-04    0.719966E+02 -0.581566E-06 0.100000E-04    0.998669E+00
  86    0.793866E-05    0.682968E+02 -0.116238E-06 0.100000E-04    0.967456E+00
  87   -0.400366E-04    0.671596E+02  0.596141E-06 0.100000E-04    0.999974E+00
  88   -0.197761E-05    0.633228E+02  0.312307E-07 0.100000E-04    0.921367E+00
  89   -0.502507E-04    0.605912E+02  0.829341E-06 0.100000E-04    0.999979E+00
  90    0.258609E-04    0.596920E+02 -0.433239E-06 0.100000E-04    0.998959E+00
  91    0.611230E-06    0.590257E+02 -0.103553E-07 0.100000E-04    0.928730E+00
  92   -0.583279E-04    0.560008E+02  0.104155E-05 0.100000E-04    0.999046E+00
  93   -0.349358E-04    0.529604E+02  0.659659E-06 0.100000E-04    0.996012E+00
  94    0.408586E-04    0.522496E+02 -0.781989E-06 0.100000E-04    0.996873E+00
  95   -0.285493E-04    0.501390E+02  0.569404E-06 0.100000E-04    0.996346E+00
  96   -0.102217E-04    0.477233E+02  0.214187E-06 0.100000E-04    0.997773E+00
  97    0.381474E-04    0.429560E+02 -0.888058E-06 0.100000E-04    0.996869E+00
  98    0.351314E-04    0.402706E+02 -0.872382E-06 0.100000E-04    0.997501E+00
  99    0.110679E-03    0.372194E+02 -0.297369E-05 0.100000E-04    0.999427E+00
 100    0.110298E-03    0.359832E+02 -0.306527E-05 0.100000E-04    0.995864E+00
 101   -0.101501E-04    0.351661E+02  0.288634E-06 0.100000E-04    0.992144E+00
 102   -0.923052E-04    0.288389E+02  0.320072E-05 0.100000E-04    0.998885E+00
 103    0.300353E-05    0.287053E+02 -0.104633E-06 0.100000E-04    0.830964E+00
 104    0.682100E-04    0.278837E+02 -0.244623E-05 0.100000E-04    0.992385E+00
 105    0.498463E-04    0.229248E+02 -0.217434E-05 0.100000E-04    0.998410E+00
 106    0.800716E-05    0.216564E+02 -0.369736E-06 0.100000E-04    0.967004E+00
 107    0.120665E-03    0.201742E+02 -0.598116E-05 0.100000E-04    0.993130E+00
 108    0.209263E-04    0.168251E+02 -0.124375E-05 0.100000E-04    0.994153E+00
 109   -0.769000E-04    0.137750E+02  0.558259E-05 0.100000E-04    0.993855E+00
 110    0.335587E-02    0.122680E+02 -0.100000E-04 0.100000E-04    0.549770E+00
 111   -0.468177E-02    0.984211E+01  0.100000E-04 0.100000E-04    0.844336E+00
 112    0.330654E-02    0.930930E+01 -0.100000E-04 0.100000E-04    0.261515E+00
 113    0.172592E-01    0.738465E+01 -0.125592E-04 0.125592E-04    0.261093E+00
 114    0.572978E+00    0.444155E+01  0.400000E-03 0.400000E-03    0.416970E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1269257938    

 Beginning of optimization cycle  284.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3677459547
 potential> RMS force:                                               0.0538579804   |gradient|=.5750458708    
 Eigenvalues of the Hessian matrix:
   730.60975    673.15646    626.40432    604.42133    588.69997    569.53463 
   566.56797    481.81632    466.09159    461.62506    441.34696    430.02653 
   421.62199    407.58797    397.61739    388.84847    367.60618    362.14920 
   351.17158    337.18648    325.42037    321.52582    319.91052    313.83348 
   304.42712    288.20786    279.02263    270.71518    266.48781    263.85909 
   259.00817    253.82034    242.46537    237.82007    235.56359    228.64625 
   221.10952    213.41154    212.04416    207.69072    203.45830    197.77763 
   195.40824    191.57577    184.74377    175.61888    171.57598    167.57605 
   165.31133    159.45399    153.74376    151.11030    148.97227    143.15857 
   137.02040    135.64734    130.74532    127.86231    126.05755    125.56267 
   119.65426    118.02608    116.93836    111.31265    108.31155    104.90135 
   103.04480     99.85487     96.23566     95.06439     92.34271     90.38889 
    89.81771     84.85750     80.91676     79.69504     78.35339     72.73416 
    72.00100     68.29659     67.14745     63.32111     60.58128     59.69284 
    59.02701     56.00177     52.95639     52.25031     50.13753     47.72009 
    42.95387     40.27306     37.22331     35.98777     35.15506     28.83825 
    28.70438     27.87537     22.92551     21.65137     20.17907     16.82510 
    13.77520     12.26740      9.84246      9.30074      7.38059      4.43743 
overlap for current and previous eigenvector    109 is        -0.9999995188
overlap for current and previous eigenvector    110 is         0.9999994047
overlap for current and previous eigenvector    111 is        -0.9999725891
overlap for current and previous eigenvector    112 is        -0.9999677316
overlap for current and previous eigenvector    113 is         0.9999948870
overlap for current and previous eigenvector    114 is         0.9999996929
J1,K1,R1,R2,RAT=   7   7   -0.9231412819E-02     2.009062370        0.9907685872    
FOB,PFOB,DIAG,PSTEP=   -0.2962292355E-05   -0.2935194076E-05     730.6097456        0.4017797739E-08
J1,K1,R1,R2,RAT=   8   8   -0.9101557664E-03     2.000879795        0.9990898442    
FOB,PFOB,DIAG,PSTEP=   -0.3836495642E-05   -0.3833006956E-05     673.1564600        0.5694166768E-08
J1,K1,R1,R2,RAT=   9   9   -0.4361627144E-01     2.043575612        0.9563837286    
FOB,PFOB,DIAG,PSTEP=    0.2777457265E-06    0.2661375623E-06     626.4043178       -0.4248741034E-09
J1,K1,R1,R2,RAT=  10  10   -0.9965785202E-02     2.009978654        0.9900342148    
FOB,PFOB,DIAG,PSTEP=    0.1821288670E-05    0.1803317312E-05     604.4213259       -0.2983524293E-08
J1,K1,R1,R2,RAT=  11  11   -0.1881694941E-01     2.018848127        0.9811830506    
FOB,PFOB,DIAG,PSTEP=   -0.1259371539E-05   -0.1236112044E-05     588.6999745        0.2099699045E-08
J1,K1,R1,R2,RAT= 109 109     1.991334723        0.8632041913E-02    0.9913347231    
FOB,PFOB,DIAG,PSTEP=    0.7623620435E-04   -0.7690001958E-04     13.77519886        0.5582590730E-05
J1,K1,R1,R2,RAT= 110 110   -0.4623056386         55.17431185        0.5376943614    
FOB,PFOB,DIAG,PSTEP=    0.3412584010E-02    0.3355871115E-02     12.26740289       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     94.95474909        0.1795069059        0.8204930941    
FOB,PFOB,DIAG,PSTEP=    0.4664105821E-02   -0.4681773709E-02     9.842456137        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     71.94009076       -0.8374141584        0.1625858416    
FOB,PFOB,DIAG,PSTEP=   -0.3384422988E-02    0.3306537280E-02     9.300739264       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8797869925         373.2700259        0.1202130075    
FOB,PFOB,DIAG,PSTEP=    0.1734079899E-01    0.1725924765E-01     7.380587683       -0.1255921870E-04
J1,K1,R1,R2,RAT= 114 114    0.9959097296        -646.6145825        0.4090270353E-02
FOB,PFOB,DIAG,PSTEP=    0.5747452409        0.5729775290         4.437429966        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002     -0.00003     -0.00002     -0.00002      0.00001      0.00003 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
     0.00002     -0.00003     -0.00006      0.00002      0.00006     -0.00000 
     0.00001      0.00002     -0.00002      0.00000      0.00001      0.00003 
     0.00004      0.00001     -0.00004     -0.00000     -0.00005      0.00003 
     0.00000     -0.00006      0.00003      0.00004     -0.00003     -0.00001 
     0.00004      0.00004      0.00011      0.00011     -0.00001     -0.00009 
     0.00000      0.00007     -0.00005     -0.00001     -0.00012     -0.00002 
     0.00008      0.00341      0.00466     -0.00338      0.01734      0.57475 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4318481001
 Log product of positive Hessian eigenvalues =          519.9794337000
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4374299664
 Unscaled step for mode    7=        0.0000000041
 Unscaled step for mode    8=        0.0000000057
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000006
 Unscaled step for mode   13=        0.0000000058
 Unscaled step for mode   14=        0.0000000068
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000108
 Unscaled step for mode   17=       -0.0000000089
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000339
 Unscaled step for mode   20=       -0.0000000206
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000138
 Unscaled step for mode   23=        0.0000000003
 Unscaled step for mode   24=        0.0000000011
 Unscaled step for mode   25=        0.0000000501
 Unscaled step for mode   26=        0.0000000868
 Unscaled step for mode   27=        0.0000000452
 Unscaled step for mode   28=       -0.0000000281
 Unscaled step for mode   29=       -0.0000000134
 Unscaled step for mode   30=        0.0000000750
 Unscaled step for mode   31=        0.0000000355
 Unscaled step for mode   32=        0.0000000164
 Unscaled step for mode   33=       -0.0000000361
 Unscaled step for mode   34=       -0.0000000281
 Unscaled step for mode   35=       -0.0000000864
 Unscaled step for mode   36=       -0.0000000516
 Unscaled step for mode   37=        0.0000000587
 Unscaled step for mode   38=        0.0000000105
 Unscaled step for mode   39=        0.0000000721
 Unscaled step for mode   40=        0.0000000026
 Unscaled step for mode   41=        0.0000001355
 Unscaled step for mode   42=        0.0000000395
 Unscaled step for mode   43=       -0.0000000469
 Unscaled step for mode   44=        0.0000000891
 Unscaled step for mode   45=       -0.0000000061
 Unscaled step for mode   46=       -0.0000000919
 Unscaled step for mode   47=        0.0000001401
 Unscaled step for mode   48=       -0.0000000166
 Unscaled step for mode   49=        0.0000001061
 Unscaled step for mode   50=        0.0000000482
 Unscaled step for mode   51=        0.0000000737
 Unscaled step for mode   52=       -0.0000000109
 Unscaled step for mode   53=        0.0000000644
 Unscaled step for mode   54=        0.0000000794
 Unscaled step for mode   55=        0.0000001157
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000485
 Unscaled step for mode   58=        0.0000001399
 Unscaled step for mode   59=       -0.0000000122
 Unscaled step for mode   60=       -0.0000001366
 Unscaled step for mode   61=       -0.0000001542
 Unscaled step for mode   62=        0.0000002284
 Unscaled step for mode   63=        0.0000001715
 Unscaled step for mode   64=        0.0000001479
 Unscaled step for mode   65=       -0.0000000581
 Unscaled step for mode   66=       -0.0000002019
 Unscaled step for mode   67=        0.0000000403
 Unscaled step for mode   68=       -0.0000000723
 Unscaled step for mode   69=        0.0000000373
 Unscaled step for mode   70=        0.0000001967
 Unscaled step for mode   71=        0.0000000403
 Unscaled step for mode   72=        0.0000004523
 Unscaled step for mode   73=       -0.0000002302
 Unscaled step for mode   74=        0.0000002979
 Unscaled step for mode   75=        0.0000005810
 Unscaled step for mode   76=       -0.0000002555
 Unscaled step for mode   77=       -0.0000006707
 Unscaled step for mode   78=        0.0000000075
 Unscaled step for mode   79=       -0.0000001669
 Unscaled step for mode   80=       -0.0000002347
 Unscaled step for mode   81=        0.0000002393
 Unscaled step for mode   82=       -0.0000000550
 Unscaled step for mode   83=       -0.0000001879
 Unscaled step for mode   84=       -0.0000004539
 Unscaled step for mode   85=       -0.0000005846
 Unscaled step for mode   86=       -0.0000001123
 Unscaled step for mode   87=        0.0000005993
 Unscaled step for mode   88=        0.0000000305
 Unscaled step for mode   89=        0.0000008334
 Unscaled step for mode   90=       -0.0000004378
 Unscaled step for mode   91=       -0.0000000117
 Unscaled step for mode   92=        0.0000010438
 Unscaled step for mode   93=       -0.0000006588
 Unscaled step for mode   94=       -0.0000007849
 Unscaled step for mode   95=        0.0000005677
 Unscaled step for mode   96=        0.0000002118
 Unscaled step for mode   97=       -0.0000008960
 Unscaled step for mode   98=       -0.0000008786
 Unscaled step for mode   99=       -0.0000029910
 Unscaled step for mode  100=       -0.0000030659
 Unscaled step for mode  101=        0.0000003017
 Unscaled step for mode  102=        0.0000032120
 Unscaled step for mode  103=       -0.0000000912
 Unscaled step for mode  104=       -0.0000024537
 Unscaled step for mode  105=        0.0000021925
 Unscaled step for mode  106=        0.0000003979
 Unscaled step for mode  107=        0.0000060064
 Unscaled step for mode  108=        0.0000011802
 Unscaled step for mode  109=       -0.0000055343
 Unscaled step for mode  110=       -0.0002781831
 Unscaled step for mode  111=       -0.0004738761
 Unscaled step for mode  112=        0.0003638875
 Unscaled step for mode  113=       -0.0023495017
 Unscaled step for mode  114=        0.1274192219
 Largest modulus ratio of non-zero e/values=           164.6470482    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.535596E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.616477E-15    0.100723E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.476306E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.660116E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.657894E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.779081E-15    0.973821E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.296229E-05    0.730610E+03  0.405455E-08 0.100000E-04    0.990769E+00
   8   -0.383650E-05    0.673156E+03  0.569926E-08 0.100000E-04    0.999090E+00
   9    0.277746E-06    0.626404E+03 -0.443397E-09 0.100000E-04    0.956384E+00
  10    0.182129E-05    0.604421E+03 -0.301328E-08 0.100000E-04    0.990034E+00
  11   -0.125937E-05    0.588700E+03  0.213924E-08 0.100000E-04    0.981183E+00
  12   -0.317073E-06    0.569535E+03  0.556723E-09 0.100000E-04    0.988636E+00
  13   -0.326206E-05    0.566568E+03  0.575757E-08 0.100000E-04    0.996187E+00
  14   -0.329204E-05    0.481816E+03  0.683256E-08 0.100000E-04    0.995175E+00
  15    0.178521E-05    0.466092E+03 -0.383016E-08 0.100000E-04    0.995132E+00
  16    0.496441E-05    0.461625E+03 -0.107542E-07 0.100000E-04    0.993537E+00
  17    0.390777E-05    0.441347E+03 -0.885420E-08 0.100000E-04    0.987826E+00
  18    0.486328E-05    0.430027E+03 -0.113093E-07 0.100000E-04    0.992247E+00
  19   -0.143042E-04    0.421622E+03  0.339266E-07 0.100000E-04    0.995793E+00
  20    0.839850E-05    0.407588E+03 -0.206054E-07 0.100000E-04    0.997132E+00
  21    0.731021E-05    0.397617E+03 -0.183850E-07 0.100000E-04    0.996782E+00
  22   -0.538177E-05    0.388848E+03  0.138403E-07 0.100000E-04    0.996794E+00
  23   -0.109884E-06    0.367606E+03  0.298917E-09 0.100000E-04    0.647488E+00
  24   -0.394582E-06    0.362149E+03  0.108956E-08 0.100000E-04    0.992137E+00
  25   -0.175797E-04    0.351172E+03  0.500603E-07 0.100000E-04    0.995958E+00
  26   -0.292565E-04    0.337186E+03  0.867665E-07 0.100000E-04    0.997091E+00
  27   -0.147102E-04    0.325420E+03  0.452036E-07 0.100000E-04    0.996512E+00
  28    0.902791E-05    0.321526E+03 -0.280783E-07 0.100000E-04    0.985504E+00
  29    0.429489E-05    0.319911E+03 -0.134253E-07 0.100000E-04    0.982326E+00
  30   -0.235341E-04    0.313833E+03  0.749891E-07 0.100000E-04    0.999933E+00
  31   -0.107943E-04    0.304427E+03  0.354576E-07 0.100000E-04    0.995004E+00
  32   -0.471537E-05    0.288208E+03  0.163610E-07 0.100000E-04    0.999790E+00
  33    0.100604E-04    0.279023E+03 -0.360557E-07 0.100000E-04    0.995874E+00
  34    0.761112E-05    0.270715E+03 -0.281149E-07 0.100000E-04    0.992669E+00
  35    0.230250E-04    0.266488E+03 -0.864018E-07 0.100000E-04    0.999314E+00
  36    0.136110E-04    0.263859E+03 -0.515844E-07 0.100000E-04    0.996604E+00
  37   -0.151969E-04    0.259008E+03  0.586734E-07 0.100000E-04    0.995237E+00
  38   -0.267249E-05    0.253820E+03  0.105291E-07 0.100000E-04    0.992848E+00
  39   -0.174884E-04    0.242465E+03  0.721274E-07 0.100000E-04    0.997280E+00
  40   -0.622397E-06    0.237820E+03  0.261709E-08 0.100000E-04    0.468342E+00
  41   -0.319297E-04    0.235564E+03  0.135546E-06 0.100000E-04    0.996798E+00
  42   -0.904126E-05    0.228646E+03  0.395426E-07 0.100000E-04    0.999328E+00
  43    0.103616E-04    0.221110E+03 -0.468619E-07 0.100000E-04    0.995389E+00
  44   -0.190052E-04    0.213412E+03  0.890540E-07 0.100000E-04    0.997744E+00
  45    0.128955E-05    0.212044E+03 -0.608153E-08 0.100000E-04    0.997449E+00
  46    0.190946E-04    0.207691E+03 -0.919377E-07 0.100000E-04    0.995771E+00
  47   -0.285092E-04    0.203458E+03  0.140123E-06 0.100000E-04    0.999948E+00
  48    0.328650E-05    0.197778E+03 -0.166171E-07 0.100000E-04    0.985419E+00
  49   -0.207383E-04    0.195408E+03  0.106128E-06 0.100000E-04    0.997647E+00
  50   -0.923633E-05    0.191576E+03  0.482124E-07 0.100000E-04    0.989344E+00
  51   -0.136176E-04    0.184744E+03  0.737105E-07 0.100000E-04    0.996304E+00
  52    0.190552E-05    0.175619E+03 -0.108503E-07 0.100000E-04    0.989572E+00
  53   -0.110409E-04    0.171576E+03  0.643500E-07 0.100000E-04    0.993833E+00
  54   -0.133056E-04    0.167576E+03  0.794004E-07 0.100000E-04    0.993531E+00
  55   -0.191271E-04    0.165311E+03  0.115703E-06 0.100000E-04    0.999466E+00
  56    0.590683E-05    0.159454E+03 -0.370441E-07 0.100000E-04    0.992730E+00
  57    0.745089E-05    0.153744E+03 -0.484630E-07 0.100000E-04    0.986118E+00
  58   -0.211412E-04    0.151110E+03  0.139906E-06 0.100000E-04    0.996817E+00
  59    0.181719E-05    0.148972E+03 -0.121982E-07 0.100000E-04    0.971983E+00
  60    0.195542E-04    0.143159E+03 -0.136591E-06 0.100000E-04    0.995685E+00
  61    0.211243E-04    0.137020E+03 -0.154169E-06 0.100000E-04    0.990623E+00
  62   -0.309858E-04    0.135647E+03  0.228429E-06 0.100000E-04    0.999325E+00
  63   -0.224289E-04    0.130745E+03  0.171546E-06 0.100000E-04    0.995669E+00
  64   -0.189096E-04    0.127862E+03  0.147890E-06 0.100000E-04    0.991435E+00
  65    0.732025E-05    0.126058E+03 -0.580707E-07 0.100000E-04    0.960300E+00
  66    0.253471E-04    0.125563E+03 -0.201868E-06 0.100000E-04    0.999889E+00
  67   -0.481755E-05    0.119654E+03  0.402622E-07 0.100000E-04    0.994113E+00
  68    0.853430E-05    0.118026E+03 -0.723086E-07 0.100000E-04    0.995083E+00
  69   -0.436492E-05    0.116938E+03  0.373267E-07 0.100000E-04    0.986740E+00
  70   -0.218959E-04    0.111313E+03  0.196707E-06 0.100000E-04    0.999468E+00
  71   -0.435968E-05    0.108312E+03  0.402513E-07 0.100000E-04    0.999148E+00
  72   -0.474463E-04    0.104901E+03  0.452295E-06 0.100000E-04    0.995338E+00
  73    0.237186E-04    0.103045E+03 -0.230178E-06 0.100000E-04    0.995066E+00
  74   -0.297468E-04    0.998549E+02  0.297901E-06 0.100000E-04    0.998825E+00
  75   -0.559093E-04    0.962357E+02  0.580962E-06 0.100000E-04    0.992972E+00
  76    0.242887E-04    0.950644E+02 -0.255498E-06 0.100000E-04    0.991475E+00
  77    0.619381E-04    0.923427E+02 -0.670742E-06 0.100000E-04    0.998626E+00
  78   -0.680889E-06    0.903889E+02  0.753288E-08 0.100000E-04    0.973787E+00
  79    0.149934E-04    0.898177E+02 -0.166932E-06 0.100000E-04    0.989491E+00
  80    0.199137E-04    0.848575E+02 -0.234672E-06 0.100000E-04    0.995690E+00
  81   -0.193630E-04    0.809168E+02  0.239295E-06 0.100000E-04    0.998323E+00
  82    0.438199E-05    0.796950E+02 -0.549845E-07 0.100000E-04    0.983118E+00
  83    0.147255E-04    0.783534E+02 -0.187937E-06 0.100000E-04    0.996657E+00
  84    0.330169E-04    0.727342E+02 -0.453939E-06 0.100000E-04    0.993706E+00
  85    0.420926E-04    0.720010E+02 -0.584612E-06 0.100000E-04    0.994702E+00
  86    0.766840E-05    0.682966E+02 -0.112281E-06 0.100000E-04    0.965956E+00
  87   -0.402424E-04    0.671475E+02  0.599314E-06 0.100000E-04    0.994859E+00
  88   -0.193333E-05    0.633211E+02  0.305321E-07 0.100000E-04    0.977607E+00
  89   -0.504887E-04    0.605813E+02  0.833405E-06 0.100000E-04    0.995263E+00
  90    0.261323E-04    0.596928E+02 -0.437780E-06 0.100000E-04    0.989503E+00
  91    0.687867E-06    0.590270E+02 -0.116534E-07 0.100000E-04    0.874620E+00
  92   -0.584564E-04    0.560018E+02  0.104383E-05 0.100000E-04    0.997796E+00
  93    0.348865E-04    0.529564E+02 -0.658778E-06 0.100000E-04    0.998588E+00
  94    0.410107E-04    0.522503E+02 -0.784888E-06 0.100000E-04    0.996279E+00
  95   -0.284651E-04    0.501375E+02  0.567740E-06 0.100000E-04    0.997048E+00
  96   -0.101083E-04    0.477201E+02  0.211825E-06 0.100000E-04    0.988910E+00
  97    0.384860E-04    0.429539E+02 -0.895986E-06 0.100000E-04    0.991123E+00
  98    0.353827E-04    0.402731E+02 -0.878569E-06 0.100000E-04    0.992847E+00
  99    0.111336E-03    0.372233E+02 -0.299102E-05 0.100000E-04    0.994065E+00
 100    0.110334E-03    0.359878E+02 -0.306587E-05 0.100000E-04    0.999678E+00
 101   -0.106077E-04    0.351551E+02  0.301739E-06 0.100000E-04    0.954912E+00
 102   -0.926293E-04    0.288383E+02  0.321203E-05 0.100000E-04    0.996489E+00
 103    0.261893E-05    0.287044E+02 -0.912382E-07 0.100000E-04    0.871947E+00
 104    0.683966E-04    0.278754E+02 -0.245366E-05 0.100000E-04    0.997262E+00
 105   -0.502651E-04    0.229255E+02  0.219254E-05 0.100000E-04    0.991599E+00
 106   -0.861574E-05    0.216514E+02  0.397930E-06 0.100000E-04    0.923978E+00
 107   -0.121203E-03    0.201791E+02  0.600637E-05 0.100000E-04    0.995545E+00
 108   -0.198571E-04    0.168251E+02  0.118021E-05 0.100000E-04    0.948903E+00
 109    0.762362E-04    0.137752E+02 -0.553431E-05 0.100000E-04    0.991335E+00
 110    0.341258E-02    0.122674E+02 -0.100000E-04 0.100000E-04    0.537694E+00
 111    0.466411E-02    0.984246E+01 -0.100000E-04 0.100000E-04    0.820493E+00
 112   -0.338442E-02    0.930074E+01  0.109000E-04 0.109000E-04    0.162586E+00
 113    0.173408E-01    0.738059E+01 -0.136895E-04 0.136895E-04    0.120213E+00
 114    0.574745E+00    0.443743E+01  0.400000E-03 0.400000E-03    0.409027E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1274192219    

 Beginning of optimization cycle  285.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3675160559
 potential> RMS force:                                               0.0540235613   |gradient|=.5768137920    
 Eigenvalues of the Hessian matrix:
   730.67149    673.16658    626.41710    604.41730    588.69075    569.57696 
   566.57744    481.84024    466.06825    461.61743    441.34756    430.01852 
   421.62715    407.59683    397.61244    388.84859    367.61211    362.14004 
   351.16408    337.16102    325.43039    321.52420    319.92050    313.80592 
   304.41792    288.21552    279.01724    270.71450    266.49616    263.86801 
   259.01969    253.82274    242.46066    237.82621    235.55566    228.64414 
   221.08914    213.41926    212.04939    207.68185    203.46093    197.77245 
   195.40572    191.57500    184.73352    175.60659    171.58210    167.57453 
   165.30622    159.44480    153.74813    151.11439    148.96675    143.16108 
   137.02184    135.65171    130.74359    127.86600    126.05762    125.56483 
   119.65615    118.02703    116.94038    111.30620    108.30159    104.89818 
   103.04606     99.85285     96.22723     95.06180     92.35533     90.38882 
    89.81868     84.86028     80.91683     79.69772     78.35198     72.73472 
    72.00541     68.29636     67.13525     63.31944     60.57138     59.69372 
    59.02835     56.00277     52.95239     52.25102     50.13612     47.71689 
    42.95178     40.27550     37.22729     35.99228     35.14394     28.83766 
    28.70344     27.86710     22.92624     21.64628     20.18392     16.82505 
    13.77544     12.26683      9.84287      9.29226      7.37647      4.43329 
overlap for current and previous eigenvector    109 is         0.9999995262
overlap for current and previous eigenvector    110 is         0.9999994080
overlap for current and previous eigenvector    111 is         0.9999748122
overlap for current and previous eigenvector    112 is         0.9999699272
overlap for current and previous eigenvector    113 is         0.9999948654
overlap for current and previous eigenvector    114 is         0.9999996894
J1,K1,R1,R2,RAT=   7   7   -0.8657658637E-02     2.008488640        0.9913423414    
FOB,PFOB,DIAG,PSTEP=   -0.2987941038E-05   -0.2962292355E-05     730.6714942        0.4054548098E-08
J1,K1,R1,R2,RAT=   8   8   -0.8304110674E-02     2.008274054        0.9916958893    
FOB,PFOB,DIAG,PSTEP=   -0.3868354805E-05   -0.3836495642E-05     673.1665766        0.5699262906E-08
J1,K1,R1,R2,RAT=   9   9    0.9218797478E-01     1.907771199        0.9077711993    
FOB,PFOB,DIAG,PSTEP=    0.2521403878E-06    0.2777457265E-06     626.4171049       -0.4433968901E-09
J1,K1,R1,R2,RAT=  10  10    0.4125132330E-02     1.995888180        0.9958748677    
FOB,PFOB,DIAG,PSTEP=    0.1813775663E-05    0.1821288670E-05     604.4173028       -0.3013276652E-08
J1,K1,R1,R2,RAT=  11  11    0.1094902274E-01     1.989082325        0.9890509773    
FOB,PFOB,DIAG,PSTEP=   -0.1245582867E-05   -0.1259371539E-05     588.6907475        0.2139241708E-08
J1,K1,R1,R2,RAT= 109 109   -0.6160377485E-02     2.006125959        0.9938396225    
FOB,PFOB,DIAG,PSTEP=    0.7670585623E-04    0.7623620435E-04     13.77543593       -0.5534308804E-05
J1,K1,R1,R2,RAT= 110 110   -0.4576177505         56.09681708        0.5423822495    
FOB,PFOB,DIAG,PSTEP=    0.3468719219E-02    0.3412584010E-02     12.26683364       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1692680424         94.60200798        0.8307319576    
FOB,PFOB,DIAG,PSTEP=    0.4647444991E-02    0.4664105821E-02     9.842868043       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7239206277         67.55322181        0.2760793723    
FOB,PFOB,DIAG,PSTEP=   -0.3457745724E-02   -0.3384422988E-02     9.292257028        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7724811967         344.2207011        0.2275188033    
FOB,PFOB,DIAG,PSTEP=    0.1741880458E-01    0.1734079899E-01     7.376472181       -0.1368954838E-04
J1,K1,R1,R2,RAT= 114 114    0.9957929672        -649.2109380        0.4207032802E-02
FOB,PFOB,DIAG,PSTEP=    0.5765110968        0.5747452409         4.433290747        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002     -0.00003     -0.00002     -0.00002      0.00001      0.00003 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
     0.00002     -0.00003     -0.00006      0.00002     -0.00006     -0.00000 
     0.00001      0.00002     -0.00002      0.00000      0.00001      0.00003 
     0.00004      0.00001     -0.00004     -0.00000     -0.00005      0.00003 
     0.00000     -0.00006      0.00003      0.00004     -0.00003     -0.00001 
     0.00004      0.00004      0.00011      0.00011     -0.00001     -0.00009 
     0.00000      0.00007     -0.00005     -0.00001     -0.00012     -0.00002 
     0.00008      0.00347      0.00465     -0.00346      0.01742      0.57651 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4317343630
 Log product of positive Hessian eigenvalues =          519.9760977288
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4332907468
 Unscaled step for mode    7=        0.0000000041
 Unscaled step for mode    8=        0.0000000057
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000007
 Unscaled step for mode   13=        0.0000000058
 Unscaled step for mode   14=        0.0000000067
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000108
 Unscaled step for mode   17=       -0.0000000088
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000340
 Unscaled step for mode   20=       -0.0000000205
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000140
 Unscaled step for mode   23=        0.0000000002
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000502
 Unscaled step for mode   26=        0.0000000870
 Unscaled step for mode   27=        0.0000000453
 Unscaled step for mode   28=       -0.0000000284
 Unscaled step for mode   29=       -0.0000000137
 Unscaled step for mode   30=        0.0000000752
 Unscaled step for mode   31=        0.0000000358
 Unscaled step for mode   32=        0.0000000166
 Unscaled step for mode   33=       -0.0000000362
 Unscaled step for mode   34=       -0.0000000283
 Unscaled step for mode   35=       -0.0000000866
 Unscaled step for mode   36=       -0.0000000520
 Unscaled step for mode   37=        0.0000000589
 Unscaled step for mode   38=        0.0000000104
 Unscaled step for mode   39=        0.0000000723
 Unscaled step for mode   40=        0.0000000037
 Unscaled step for mode   41=        0.0000001365
 Unscaled step for mode   42=        0.0000000400
 Unscaled step for mode   43=       -0.0000000473
 Unscaled step for mode   44=        0.0000000899
 Unscaled step for mode   45=       -0.0000000059
 Unscaled step for mode   46=       -0.0000000925
 Unscaled step for mode   47=        0.0000001406
 Unscaled step for mode   48=       -0.0000000167
 Unscaled step for mode   49=        0.0000001067
 Unscaled step for mode   50=        0.0000000479
 Unscaled step for mode   51=        0.0000000740
 Unscaled step for mode   52=       -0.0000000110
 Unscaled step for mode   53=        0.0000000644
 Unscaled step for mode   54=        0.0000000799
 Unscaled step for mode   55=        0.0000001159
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=       -0.0000000485
 Unscaled step for mode   58=        0.0000001403
 Unscaled step for mode   59=       -0.0000000117
 Unscaled step for mode   60=       -0.0000001368
 Unscaled step for mode   61=       -0.0000001546
 Unscaled step for mode   62=        0.0000002283
 Unscaled step for mode   63=        0.0000001713
 Unscaled step for mode   64=        0.0000001489
 Unscaled step for mode   65=       -0.0000000593
 Unscaled step for mode   66=       -0.0000002016
 Unscaled step for mode   67=        0.0000000411
 Unscaled step for mode   68=       -0.0000000723
 Unscaled step for mode   69=        0.0000000374
 Unscaled step for mode   70=        0.0000001980
 Unscaled step for mode   71=        0.0000000408
 Unscaled step for mode   72=        0.0000004543
 Unscaled step for mode   73=       -0.0000002308
 Unscaled step for mode   74=        0.0000002975
 Unscaled step for mode   75=        0.0000005847
 Unscaled step for mode   76=       -0.0000002530
 Unscaled step for mode   77=        0.0000006699
 Unscaled step for mode   78=        0.0000000080
 Unscaled step for mode   79=       -0.0000001652
 Unscaled step for mode   80=       -0.0000002349
 Unscaled step for mode   81=        0.0000002402
 Unscaled step for mode   82=       -0.0000000528
 Unscaled step for mode   83=       -0.0000001880
 Unscaled step for mode   84=       -0.0000004551
 Unscaled step for mode   85=       -0.0000005839
 Unscaled step for mode   86=       -0.0000001084
 Unscaled step for mode   87=        0.0000005993
 Unscaled step for mode   88=        0.0000000328
 Unscaled step for mode   89=        0.0000008335
 Unscaled step for mode   90=       -0.0000004383
 Unscaled step for mode   91=       -0.0000000124
 Unscaled step for mode   92=        0.0000010447
 Unscaled step for mode   93=       -0.0000006562
 Unscaled step for mode   94=       -0.0000007873
 Unscaled step for mode   95=        0.0000005657
 Unscaled step for mode   96=        0.0000002123
 Unscaled step for mode   97=       -0.0000008933
 Unscaled step for mode   98=       -0.0000008807
 Unscaled step for mode   99=       -0.0000029923
 Unscaled step for mode  100=       -0.0000030535
 Unscaled step for mode  101=        0.0000003040
 Unscaled step for mode  102=        0.0000032155
 Unscaled step for mode  103=       -0.0000000700
 Unscaled step for mode  104=       -0.0000024733
 Unscaled step for mode  105=        0.0000021891
 Unscaled step for mode  106=        0.0000003859
 Unscaled step for mode  107=        0.0000059662
 Unscaled step for mode  108=        0.0000011875
 Unscaled step for mode  109=       -0.0000055683
 Unscaled step for mode  110=       -0.0002827722
 Unscaled step for mode  111=       -0.0004721636
 Unscaled step for mode  112=        0.0003721104
 Unscaled step for mode  113=       -0.0023613873
 Unscaled step for mode  114=        0.1279136233
 Largest modulus ratio of non-zero e/values=           164.8147022    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.158294E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.743329E-15    0.100723E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.279724E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.164075E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.712402E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.151756E-14    0.973823E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.298794E-05    0.730671E+03  0.408931E-08 0.100000E-04    0.991342E+00
   8   -0.386835E-05    0.673167E+03  0.574650E-08 0.100000E-04    0.991696E+00
   9    0.252140E-06    0.626417E+03 -0.402512E-09 0.100000E-04    0.907771E+00
  10    0.181378E-05    0.604417E+03 -0.300087E-08 0.100000E-04    0.995875E+00
  11   -0.124558E-05    0.588691E+03  0.211585E-08 0.100000E-04    0.989051E+00
  12   -0.391263E-06    0.569577E+03  0.686936E-09 0.100000E-04    0.766034E+00
  13   -0.326438E-05    0.566577E+03  0.576158E-08 0.100000E-04    0.999287E+00
  14   -0.324459E-05    0.481840E+03  0.673375E-08 0.100000E-04    0.985488E+00
  15    0.177599E-05    0.466068E+03 -0.381057E-08 0.100000E-04    0.994835E+00
  16    0.498112E-05    0.461617E+03 -0.107906E-07 0.100000E-04    0.996635E+00
  17    0.389359E-05    0.441348E+03 -0.882205E-08 0.100000E-04    0.996368E+00
  18    0.483886E-05    0.430019E+03 -0.112527E-07 0.100000E-04    0.994980E+00
  19   -0.143321E-04    0.421627E+03  0.339922E-07 0.100000E-04    0.998053E+00
  20    0.835301E-05    0.407597E+03 -0.204933E-07 0.100000E-04    0.994540E+00
  21    0.729113E-05    0.397612E+03 -0.183373E-07 0.100000E-04    0.997390E+00
  22   -0.544249E-05    0.388849E+03  0.139964E-07 0.100000E-04    0.988716E+00
  23   -0.621418E-07    0.367612E+03  0.169042E-09 0.100000E-04    0.565498E+00
  24   -0.445609E-06    0.362140E+03  0.123049E-08 0.100000E-04    0.870678E+00
  25   -0.176137E-04    0.351164E+03  0.501580E-07 0.100000E-04    0.998070E+00
  26   -0.293365E-04    0.337161E+03  0.870103E-07 0.100000E-04    0.997266E+00
  27   -0.147466E-04    0.325430E+03  0.453142E-07 0.100000E-04    0.997522E+00
  28    0.913275E-05    0.321524E+03 -0.284045E-07 0.100000E-04    0.988387E+00
  29    0.437634E-05    0.319921E+03 -0.136795E-07 0.100000E-04    0.981036E+00
  30   -0.236049E-04    0.313806E+03  0.752215E-07 0.100000E-04    0.996989E+00
  31   -0.108848E-04    0.304418E+03  0.357562E-07 0.100000E-04    0.991609E+00
  32   -0.477331E-05    0.288216E+03  0.165616E-07 0.100000E-04    0.987712E+00
  33    0.100953E-04    0.279017E+03 -0.361816E-07 0.100000E-04    0.996529E+00
  34    0.766433E-05    0.270715E+03 -0.283115E-07 0.100000E-04    0.993009E+00
  35    0.230826E-04    0.266496E+03 -0.866151E-07 0.100000E-04    0.997499E+00
  36    0.137313E-04    0.263868E+03 -0.520386E-07 0.100000E-04    0.991162E+00
  37   -0.152506E-04    0.259020E+03  0.588783E-07 0.100000E-04    0.996464E+00
  38   -0.263588E-05    0.253823E+03  0.103847E-07 0.100000E-04    0.986283E+00
  39   -0.175188E-04    0.242461E+03  0.722540E-07 0.100000E-04    0.998263E+00
  40   -0.876762E-06    0.237826E+03  0.368657E-08 0.100000E-04    0.591323E+00
  41   -0.321440E-04    0.235556E+03  0.136460E-06 0.100000E-04    0.993288E+00
  42   -0.914324E-05    0.228644E+03  0.399890E-07 0.100000E-04    0.988720E+00
  43    0.104548E-04    0.221089E+03 -0.472875E-07 0.100000E-04    0.991010E+00
  44   -0.191841E-04    0.213419E+03  0.898892E-07 0.100000E-04    0.990586E+00
  45    0.125693E-05    0.212049E+03 -0.592755E-08 0.100000E-04    0.974657E+00
  46    0.192118E-04    0.207682E+03 -0.925060E-07 0.100000E-04    0.993861E+00
  47   -0.285969E-04    0.203461E+03  0.140552E-06 0.100000E-04    0.996923E+00
  48    0.330270E-05    0.197772E+03 -0.166995E-07 0.100000E-04    0.995070E+00
  49   -0.208467E-04    0.195406E+03  0.106684E-06 0.100000E-04    0.994771E+00
  50   -0.917632E-05    0.191575E+03  0.478994E-07 0.100000E-04    0.993503E+00
  51   -0.136680E-04    0.184734E+03  0.739877E-07 0.100000E-04    0.996294E+00
  52    0.193567E-05    0.175607E+03 -0.110227E-07 0.100000E-04    0.984176E+00
  53   -0.110510E-04    0.171582E+03  0.644065E-07 0.100000E-04    0.999086E+00
  54   -0.133844E-04    0.167575E+03  0.798713E-07 0.100000E-04    0.994078E+00
  55   -0.191659E-04    0.165306E+03  0.115942E-06 0.100000E-04    0.997970E+00
  56    0.595054E-05    0.159445E+03 -0.373204E-07 0.100000E-04    0.992601E+00
  57    0.745966E-05    0.153748E+03 -0.485187E-07 0.100000E-04    0.998823E+00
  58   -0.212072E-04    0.151114E+03  0.140339E-06 0.100000E-04    0.996880E+00
  59    0.173641E-05    0.148967E+03 -0.116563E-07 0.100000E-04    0.955545E+00
  60    0.195877E-04    0.143161E+03 -0.136823E-06 0.100000E-04    0.998288E+00
  61    0.211899E-04    0.137022E+03 -0.154646E-06 0.100000E-04    0.996896E+00
  62   -0.309686E-04    0.135652E+03  0.228295E-06 0.100000E-04    0.999380E+00
  63   -0.223981E-04    0.130744E+03  0.171313E-06 0.100000E-04    0.998625E+00
  64   -0.190355E-04    0.127866E+03  0.148871E-06 0.100000E-04    0.993342E+00
  65    0.747066E-05    0.126058E+03 -0.592639E-07 0.100000E-04    0.979453E+00
  66    0.253121E-04    0.125565E+03 -0.201586E-06 0.100000E-04    0.998585E+00
  67   -0.491748E-05    0.119656E+03  0.410967E-07 0.100000E-04    0.979258E+00
  68    0.853019E-05    0.118027E+03 -0.722732E-07 0.100000E-04    0.999502E+00
  69   -0.437060E-05    0.116940E+03  0.373746E-07 0.100000E-04    0.998699E+00
  70   -0.220422E-04    0.111306E+03  0.198032E-06 0.100000E-04    0.993320E+00
  71   -0.441517E-05    0.108302E+03  0.407674E-07 0.100000E-04    0.987271E+00
  72   -0.476548E-04    0.104898E+03  0.454296E-06 0.100000E-04    0.995605E+00
  73    0.237874E-04    0.103046E+03 -0.230842E-06 0.100000E-04    0.997102E+00
  74   -0.297059E-04    0.998529E+02  0.297497E-06 0.100000E-04    0.998623E+00
  75   -0.562629E-04    0.962272E+02  0.584688E-06 0.100000E-04    0.993675E+00
  76    0.240515E-04    0.950618E+02 -0.253009E-06 0.100000E-04    0.990233E+00
  77   -0.618649E-04    0.923553E+02  0.669858E-06 0.100000E-04    0.998545E+00
  78   -0.726972E-06    0.903888E+02  0.804272E-08 0.100000E-04    0.932319E+00
  79    0.148395E-04    0.898187E+02 -0.165217E-06 0.100000E-04    0.989716E+00
  80    0.199313E-04    0.848603E+02 -0.234872E-06 0.100000E-04    0.999115E+00
  81   -0.194360E-04    0.809168E+02  0.240197E-06 0.100000E-04    0.996231E+00
  82    0.420688E-05    0.796977E+02 -0.527855E-07 0.100000E-04    0.959974E+00
  83    0.147340E-04    0.783520E+02 -0.188049E-06 0.100000E-04    0.999419E+00
  84    0.331015E-04    0.727347E+02 -0.455098E-06 0.100000E-04    0.997438E+00
  85    0.420414E-04    0.720054E+02 -0.583864E-06 0.100000E-04    0.998660E+00
  86    0.740663E-05    0.682964E+02 -0.108448E-06 0.100000E-04    0.965863E+00
  87   -0.402362E-04    0.671352E+02  0.599331E-06 0.100000E-04    0.999846E+00
  88   -0.207824E-05    0.633194E+02  0.328215E-07 0.100000E-04    0.925044E+00
  89   -0.504846E-04    0.605714E+02  0.833473E-06 0.100000E-04    0.999919E+00
  90    0.261655E-04    0.596937E+02 -0.438329E-06 0.100000E-04    0.998732E+00
  91    0.730823E-06    0.590283E+02 -0.123809E-07 0.100000E-04    0.937554E+00
  92   -0.585088E-04    0.560028E+02  0.104475E-05 0.100000E-04    0.999105E+00
  93    0.347449E-04    0.529524E+02 -0.656153E-06 0.100000E-04    0.995941E+00
  94    0.411395E-04    0.522510E+02 -0.787344E-06 0.100000E-04    0.996858E+00
  95   -0.283611E-04    0.501361E+02  0.565682E-06 0.100000E-04    0.996348E+00
  96   -0.101287E-04    0.477169E+02  0.212267E-06 0.100000E-04    0.997985E+00
  97    0.383674E-04    0.429518E+02 -0.893266E-06 0.100000E-04    0.996916E+00
  98    0.354705E-04    0.402755E+02 -0.880698E-06 0.100000E-04    0.997516E+00
  99    0.111396E-03    0.372273E+02 -0.299232E-05 0.100000E-04    0.999459E+00
 100    0.109902E-03    0.359923E+02 -0.305349E-05 0.100000E-04    0.995835E+00
 101   -0.106847E-04    0.351439E+02  0.304028E-06 0.100000E-04    0.992730E+00
 102   -0.927285E-04    0.288377E+02  0.321553E-05 0.100000E-04    0.998929E+00
 103    0.200930E-05    0.287034E+02 -0.700019E-07 0.100000E-04    0.767211E+00
 104    0.689224E-04    0.278671E+02 -0.247326E-05 0.100000E-04    0.992310E+00
 105   -0.501876E-04    0.229262E+02  0.218909E-05 0.100000E-04    0.998395E+00
 106   -0.835250E-05    0.216463E+02  0.385863E-06 0.100000E-04    0.969439E+00
 107   -0.120420E-03    0.201839E+02  0.596615E-05 0.100000E-04    0.993064E+00
 108   -0.199802E-04    0.168250E+02  0.118753E-05 0.100000E-04    0.993797E+00
 109    0.767059E-04    0.137754E+02 -0.556831E-05 0.100000E-04    0.993840E+00
 110    0.346872E-02    0.122668E+02 -0.100000E-04 0.100000E-04    0.542382E+00
 111    0.464744E-02    0.984287E+01 -0.100000E-04 0.100000E-04    0.830732E+00
 112   -0.345775E-02    0.929226E+01  0.100000E-04 0.100000E-04    0.276079E+00
 113    0.174188E-01    0.737647E+01 -0.123329E-04 0.123329E-04    0.227519E+00
 114    0.576511E+00    0.443329E+01  0.400000E-03 0.400000E-03    0.420703E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1279136233    

 Beginning of optimization cycle  286.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3672854268
 potential> RMS force:                                               0.0541890179   |gradient|=.5785803846    
 Eigenvalues of the Hessian matrix:
   730.73328    673.17674    626.42979    604.41322    588.68154    569.61924 
   566.58704    481.86424    466.04498    461.60980    441.34816    430.01040 
   421.63235    407.60576    397.60751    388.84876    367.61802    362.13090 
   351.15659    337.13566    325.44041    321.52259    319.93038    313.77845 
   304.40864    288.22325    279.01181    270.71387    266.50451    263.87685 
   259.03118    253.82515    242.45595    237.83250    235.54748    228.64196 
   221.06873    213.42694    212.05461    207.67306    203.46354    197.76725 
   195.40315    191.57419    184.72324    175.59435    171.58819    167.57304 
   165.30107    159.43558    153.75250    151.11855    148.96120    143.16360 
   137.02328    135.65603    130.74191    127.86970    126.05775    125.56695 
   119.65804    118.02799    116.94239    111.29976    108.29169    104.89503 
   103.04729     99.85087     96.21886     95.05913     92.36796     90.38887 
    89.81947     84.86303     80.91687     79.70036     78.35057     72.73533 
    72.00987     68.29616     67.12305     63.31772     60.56155     59.69460 
    59.02967     56.00376     52.94841     52.25176     50.13469     47.71368 
    42.94968     40.27795     37.23128     35.99677     35.13283     28.83706 
    28.70250     27.85881     22.92700     21.64115     20.18877     16.82499 
    13.77567     12.26627      9.84333      9.28367      7.37232      4.42914 
overlap for current and previous eigenvector    109 is         0.9999995258
overlap for current and previous eigenvector    110 is         0.9999994105
overlap for current and previous eigenvector    111 is         0.9999762342
overlap for current and previous eigenvector    112 is         0.9999712606
overlap for current and previous eigenvector    113 is         0.9999947956
overlap for current and previous eigenvector    114 is         0.9999996954
J1,K1,R1,R2,RAT=   7   7   -0.9089711291E-02     2.008920609        0.9909102887    
FOB,PFOB,DIAG,PSTEP=   -0.3015102856E-05   -0.2987941038E-05     730.7332784        0.4089308344E-08
J1,K1,R1,R2,RAT=   8   8   -0.9686904130E-03     2.000938482        0.9990313096    
FOB,PFOB,DIAG,PSTEP=   -0.3872102100E-05   -0.3868354805E-05     673.1767446        0.5746504565E-08
J1,K1,R1,R2,RAT=   9   9   -0.4705701671E-01     2.047016522        0.9529429833    
FOB,PFOB,DIAG,PSTEP=    0.2640056025E-06    0.2521403878E-06     626.4297885       -0.4025119778E-09
J1,K1,R1,R2,RAT=  10  10   -0.9763389996E-02     2.009776894        0.9902366100    
FOB,PFOB,DIAG,PSTEP=    0.1831484142E-05    0.1813775663E-05     604.4132219       -0.3000866544E-08
J1,K1,R1,R2,RAT=  11  11   -0.1871656252E-01     2.018747844        0.9812834375    
FOB,PFOB,DIAG,PSTEP=   -0.1268895532E-05   -0.1245582867E-05     588.6815400        0.2115852632E-08
J1,K1,R1,R2,RAT= 109 109    0.8691256770E-02     1.991274254        0.9912742540    
FOB,PFOB,DIAG,PSTEP=    0.7603917444E-04    0.7670585623E-04     13.77567349       -0.5568306993E-05
J1,K1,R1,R2,RAT= 110 110   -0.4694982827         57.02652219        0.5305017173    
FOB,PFOB,DIAG,PSTEP=    0.3526309155E-02    0.3468719219E-02     12.26627209       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1915821240         94.23670852        0.8084178760    
FOB,PFOB,DIAG,PSTEP=    0.4628586927E-02    0.4647444991E-02     9.843331822       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8212644527         75.31217202        0.1787355473    
FOB,PFOB,DIAG,PSTEP=   -0.3533989221E-02   -0.3457745724E-02     9.283671892        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9154183856         384.0735088        0.8458161436E-01
FOB,PFOB,DIAG,PSTEP=    0.1750203652E-01    0.1741880458E-01     7.372320381       -0.1233292647E-04
J1,K1,R1,R2,RAT= 114 114    0.9958738555        -651.8120055        0.4126144505E-02
FOB,PFOB,DIAG,PSTEP=    0.5782754425        0.5765110968         4.429139574        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002     -0.00003     -0.00002     -0.00002      0.00001      0.00003 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
    -0.00002     -0.00003     -0.00006      0.00002     -0.00006      0.00000 
    -0.00001      0.00002      0.00002     -0.00000     -0.00001      0.00003 
     0.00004      0.00001      0.00004      0.00000     -0.00005      0.00003 
     0.00000     -0.00006      0.00003      0.00004     -0.00003     -0.00001 
     0.00004      0.00004      0.00011      0.00011     -0.00001     -0.00009 
     0.00000      0.00007     -0.00005     -0.00001     -0.00012     -0.00002 
     0.00008      0.00353      0.00463     -0.00353      0.01750      0.57828 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4316201665
 Log product of positive Hessian eigenvalues =          519.9727453222
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4291395737
 Unscaled step for mode    7=        0.0000000041
 Unscaled step for mode    8=        0.0000000058
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000007
 Unscaled step for mode   13=        0.0000000058
 Unscaled step for mode   14=        0.0000000067
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000109
 Unscaled step for mode   17=       -0.0000000089
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000341
 Unscaled step for mode   20=       -0.0000000206
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000140
 Unscaled step for mode   23=        0.0000000002
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000504
 Unscaled step for mode   26=        0.0000000873
 Unscaled step for mode   27=        0.0000000455
 Unscaled step for mode   28=       -0.0000000288
 Unscaled step for mode   29=       -0.0000000139
 Unscaled step for mode   30=        0.0000000752
 Unscaled step for mode   31=        0.0000000359
 Unscaled step for mode   32=        0.0000000166
 Unscaled step for mode   33=       -0.0000000363
 Unscaled step for mode   34=       -0.0000000285
 Unscaled step for mode   35=       -0.0000000866
 Unscaled step for mode   36=       -0.0000000522
 Unscaled step for mode   37=        0.0000000592
 Unscaled step for mode   38=        0.0000000103
 Unscaled step for mode   39=        0.0000000725
 Unscaled step for mode   40=        0.0000000046
 Unscaled step for mode   41=        0.0000001369
 Unscaled step for mode   42=        0.0000000400
 Unscaled step for mode   43=       -0.0000000475
 Unscaled step for mode   44=        0.0000000901
 Unscaled step for mode   45=       -0.0000000059
 Unscaled step for mode   46=       -0.0000000929
 Unscaled step for mode   47=        0.0000001405
 Unscaled step for mode   48=       -0.0000000169
 Unscaled step for mode   49=        0.0000001069
 Unscaled step for mode   50=        0.0000000484
 Unscaled step for mode   51=        0.0000000743
 Unscaled step for mode   52=       -0.0000000111
 Unscaled step for mode   53=        0.0000000648
 Unscaled step for mode   54=        0.0000000804
 Unscaled step for mode   55=        0.0000001160
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000492
 Unscaled step for mode   58=        0.0000001408
 Unscaled step for mode   59=       -0.0000000113
 Unscaled step for mode   60=       -0.0000001374
 Unscaled step for mode   61=       -0.0000001561
 Unscaled step for mode   62=        0.0000002284
 Unscaled step for mode   63=        0.0000001720
 Unscaled step for mode   64=        0.0000001501
 Unscaled step for mode   65=       -0.0000000615
 Unscaled step for mode   66=       -0.0000002016
 Unscaled step for mode   67=        0.0000000409
 Unscaled step for mode   68=       -0.0000000726
 Unscaled step for mode   69=        0.0000000379
 Unscaled step for mode   70=        0.0000001982
 Unscaled step for mode   71=        0.0000000407
 Unscaled step for mode   72=        0.0000004564
 Unscaled step for mode   73=        0.0000002320
 Unscaled step for mode   74=        0.0000002978
 Unscaled step for mode   75=        0.0000005888
 Unscaled step for mode   76=       -0.0000002507
 Unscaled step for mode   77=        0.0000006706
 Unscaled step for mode   78=       -0.0000000078
 Unscaled step for mode   79=        0.0000001635
 Unscaled step for mode   80=       -0.0000002359
 Unscaled step for mode   81=       -0.0000002406
 Unscaled step for mode   82=        0.0000000518
 Unscaled step for mode   83=        0.0000001887
 Unscaled step for mode   84=       -0.0000004579
 Unscaled step for mode   85=       -0.0000005868
 Unscaled step for mode   86=       -0.0000001045
 Unscaled step for mode   87=       -0.0000006025
 Unscaled step for mode   88=       -0.0000000321
 Unscaled step for mode   89=        0.0000008375
 Unscaled step for mode   90=       -0.0000004430
 Unscaled step for mode   91=       -0.0000000138
 Unscaled step for mode   92=        0.0000010470
 Unscaled step for mode   93=       -0.0000006552
 Unscaled step for mode   94=       -0.0000007902
 Unscaled step for mode   95=        0.0000005640
 Unscaled step for mode   96=        0.0000002099
 Unscaled step for mode   97=       -0.0000009011
 Unscaled step for mode   98=       -0.0000008869
 Unscaled step for mode   99=       -0.0000030094
 Unscaled step for mode  100=       -0.0000030540
 Unscaled step for mode  101=        0.0000003171
 Unscaled step for mode  102=        0.0000032266
 Unscaled step for mode  103=       -0.0000000566
 Unscaled step for mode  104=       -0.0000024806
 Unscaled step for mode  105=        0.0000022074
 Unscaled step for mode  106=        0.0000004140
 Unscaled step for mode  107=        0.0000059909
 Unscaled step for mode  108=        0.0000011240
 Unscaled step for mode  109=       -0.0000055198
 Unscaled step for mode  110=       -0.0002874801
 Unscaled step for mode  111=       -0.0004702255
 Unscaled step for mode  112=        0.0003806671
 Unscaled step for mode  113=       -0.0023740067
 Unscaled step for mode  114=        0.1284087706
 Largest modulus ratio of non-zero e/values=           164.9831228    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.697359E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.136458E-14    0.100723E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.451787E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.520450E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.631006E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.461491E-15    0.973825E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.301510E-05    0.730733E+03  0.412613E-08 0.100000E-04    0.990910E+00
   8   -0.387210E-05    0.673177E+03  0.575198E-08 0.100000E-04    0.999031E+00
   9    0.264006E-06    0.626430E+03 -0.421445E-09 0.100000E-04    0.952943E+00
  10    0.183148E-05    0.604413E+03 -0.303019E-08 0.100000E-04    0.990237E+00
  11   -0.126890E-05    0.588682E+03  0.215549E-08 0.100000E-04    0.981283E+00
  12   -0.387440E-06    0.569619E+03  0.680173E-09 0.100000E-04    0.990080E+00
  13   -0.327690E-05    0.566587E+03  0.578358E-08 0.100000E-04    0.996165E+00
  14   -0.322876E-05    0.481864E+03  0.670056E-08 0.100000E-04    0.995022E+00
  15    0.178519E-05    0.466045E+03 -0.383051E-08 0.100000E-04    0.994819E+00
  16    0.501282E-05    0.461610E+03 -0.108594E-07 0.100000E-04    0.993634E+00
  17    0.394007E-05    0.441348E+03 -0.892736E-08 0.100000E-04    0.988062E+00
  18    0.487633E-05    0.430010E+03 -0.113400E-07 0.100000E-04    0.992258E+00
  19   -0.143919E-04    0.421632E+03  0.341337E-07 0.100000E-04    0.995826E+00
  20    0.837636E-05    0.407606E+03 -0.205501E-07 0.100000E-04    0.997205E+00
  21    0.731426E-05    0.397608E+03 -0.183957E-07 0.100000E-04    0.996827E+00
  22   -0.545950E-05    0.388849E+03  0.140402E-07 0.100000E-04    0.996875E+00
  23   -0.908510E-07    0.367618E+03  0.247134E-09 0.100000E-04    0.538013E+00
  24   -0.442872E-06    0.362131E+03  0.122296E-08 0.100000E-04    0.993856E+00
  25   -0.176846E-04    0.351157E+03  0.503611E-07 0.100000E-04    0.995972E+00
  26   -0.294209E-04    0.337136E+03  0.872671E-07 0.100000E-04    0.997124E+00
  27   -0.147974E-04    0.325440E+03  0.454690E-07 0.100000E-04    0.996554E+00
  28    0.926128E-05    0.321523E+03 -0.288045E-07 0.100000E-04    0.985926E+00
  29    0.445298E-05    0.319930E+03 -0.139186E-07 0.100000E-04    0.982487E+00
  30   -0.236055E-04    0.313778E+03  0.752297E-07 0.100000E-04    0.999978E+00
  31   -0.109394E-04    0.304409E+03  0.359365E-07 0.100000E-04    0.994989E+00
  32   -0.477424E-05    0.288223E+03  0.165644E-07 0.100000E-04    0.999805E+00
  33    0.101365E-04    0.279012E+03 -0.363299E-07 0.100000E-04    0.995918E+00
  34    0.771980E-05    0.270714E+03 -0.285165E-07 0.100000E-04    0.992762E+00
  35    0.230679E-04    0.266505E+03 -0.865571E-07 0.100000E-04    0.999299E+00
  36    0.137763E-04    0.263877E+03 -0.522075E-07 0.100000E-04    0.996722E+00
  37   -0.153227E-04    0.259031E+03  0.591538E-07 0.100000E-04    0.995277E+00
  38   -0.261596E-05    0.253825E+03  0.103061E-07 0.100000E-04    0.992423E+00
  39   -0.175663E-04    0.242456E+03  0.724514E-07 0.100000E-04    0.997288E+00
  40   -0.109065E-05    0.237833E+03  0.458579E-08 0.100000E-04    0.756056E+00
  41   -0.322429E-04    0.235547E+03  0.136885E-06 0.100000E-04    0.996925E+00
  42   -0.913749E-05    0.228642E+03  0.399642E-07 0.100000E-04    0.999371E+00
  43    0.105031E-04    0.221069E+03 -0.475108E-07 0.100000E-04    0.995371E+00
  44   -0.192274E-04    0.213427E+03  0.900888E-07 0.100000E-04    0.997743E+00
  45    0.126055E-05    0.212055E+03 -0.594447E-08 0.100000E-04    0.997121E+00
  46    0.192926E-04    0.207673E+03 -0.928991E-07 0.100000E-04    0.995793E+00
  47   -0.285947E-04    0.203464E+03  0.140540E-06 0.100000E-04    0.999895E+00
  48    0.335059E-05    0.197767E+03 -0.169421E-07 0.100000E-04    0.985502E+00
  49   -0.208956E-04    0.195403E+03  0.106936E-06 0.100000E-04    0.997658E+00
  50   -0.927279E-05    0.191574E+03  0.484031E-07 0.100000E-04    0.989488E+00
  51   -0.137185E-04    0.184723E+03  0.742651E-07 0.100000E-04    0.996307E+00
  52    0.195574E-05    0.175594E+03 -0.111378E-07 0.100000E-04    0.989629E+00
  53   -0.111189E-04    0.171588E+03  0.648002E-07 0.100000E-04    0.993853E+00
  54   -0.134703E-04    0.167573E+03  0.803845E-07 0.100000E-04    0.993584E+00
  55   -0.191756E-04    0.165301E+03  0.116004E-06 0.100000E-04    0.999492E+00
  56    0.590642E-05    0.159436E+03 -0.370458E-07 0.100000E-04    0.992586E+00
  57    0.756207E-05    0.153752E+03 -0.491834E-07 0.100000E-04    0.986272E+00
  58   -0.212729E-04    0.151119E+03  0.140770E-06 0.100000E-04    0.996902E+00
  59    0.168485E-05    0.148961E+03 -0.113107E-07 0.100000E-04    0.970310E+00
  60    0.196718E-04    0.143164E+03 -0.137408E-06 0.100000E-04    0.995709E+00
  61    0.213865E-04    0.137023E+03 -0.156079E-06 0.100000E-04    0.990720E+00
  62   -0.309869E-04    0.135656E+03  0.228423E-06 0.100000E-04    0.999406E+00
  63   -0.224931E-04    0.130742E+03  0.172042E-06 0.100000E-04    0.995758E+00
  64   -0.191962E-04    0.127870E+03  0.150123E-06 0.100000E-04    0.991558E+00
  65    0.775623E-05    0.126058E+03 -0.615292E-07 0.100000E-04    0.961775E+00
  66    0.253082E-04    0.125567E+03 -0.201551E-06 0.100000E-04    0.999813E+00
  67   -0.488906E-05    0.119658E+03  0.408586E-07 0.100000E-04    0.994190E+00
  68    0.857203E-05    0.118028E+03 -0.726271E-07 0.100000E-04    0.995096E+00
  69   -0.442738E-05    0.116942E+03  0.378595E-07 0.100000E-04    0.987008E+00
  70   -0.220545E-04    0.111300E+03  0.198154E-06 0.100000E-04    0.999441E+00
  71   -0.441154E-05    0.108292E+03  0.407376E-07 0.100000E-04    0.999178E+00
  72   -0.478740E-04    0.104895E+03  0.456399E-06 0.100000E-04    0.995400E+00
  73   -0.239035E-04    0.103047E+03  0.231966E-06 0.100000E-04    0.995117E+00
  74   -0.297389E-04    0.998509E+02  0.297834E-06 0.100000E-04    0.998887E+00
  75   -0.566552E-04    0.962189E+02  0.588816E-06 0.100000E-04    0.993027E+00
  76    0.238276E-04    0.950591E+02 -0.250661E-06 0.100000E-04    0.990690E+00
  77   -0.619440E-04    0.923680E+02  0.670622E-06 0.100000E-04    0.998723E+00
  78    0.701070E-06    0.903889E+02 -0.775615E-08 0.100000E-04    0.964368E+00
  79   -0.146828E-04    0.898195E+02  0.163470E-06 0.100000E-04    0.989420E+00
  80    0.200160E-04    0.848630E+02 -0.235862E-06 0.100000E-04    0.995750E+00
  81    0.194679E-04    0.809169E+02 -0.240591E-06 0.100000E-04    0.998357E+00
  82   -0.413048E-05    0.797004E+02  0.518252E-07 0.100000E-04    0.981774E+00
  83   -0.147842E-04    0.783506E+02  0.188693E-06 0.100000E-04    0.996593E+00
  84    0.333075E-04    0.727353E+02 -0.457927E-06 0.100000E-04    0.993775E+00
  85    0.422589E-04    0.720099E+02 -0.586849E-06 0.100000E-04    0.994826E+00
  86    0.713772E-05    0.682962E+02 -0.104511E-06 0.100000E-04    0.963693E+00
  87    0.404390E-04    0.671230E+02 -0.602460E-06 0.100000E-04    0.994960E+00
  88    0.203503E-05    0.633177E+02 -0.321399E-07 0.100000E-04    0.979205E+00
  89   -0.507187E-04    0.605615E+02  0.837474E-06 0.100000E-04    0.995362E+00
  90    0.264418E-04    0.596946E+02 -0.442951E-06 0.100000E-04    0.989440E+00
  91    0.811949E-06    0.590297E+02 -0.137549E-07 0.100000E-04    0.888996E+00
  92   -0.586353E-04    0.560038E+02  0.104699E-05 0.100000E-04    0.997838E+00
  93    0.346921E-04    0.529484E+02 -0.655206E-06 0.100000E-04    0.998481E+00
  94    0.412898E-04    0.522518E+02 -0.790209E-06 0.100000E-04    0.996347E+00
  95   -0.282746E-04    0.501347E+02  0.563973E-06 0.100000E-04    0.996949E+00
  96   -0.100133E-04    0.477137E+02  0.209863E-06 0.100000E-04    0.988609E+00
  97    0.387037E-04    0.429497E+02 -0.901141E-06 0.100000E-04    0.991233E+00
  98    0.357223E-04    0.402780E+02 -0.886894E-06 0.100000E-04    0.992903E+00
  99    0.112043E-03    0.372313E+02 -0.300937E-05 0.100000E-04    0.994197E+00
 100    0.109933E-03    0.359968E+02 -0.305397E-05 0.100000E-04    0.999718E+00
 101   -0.111407E-04    0.351328E+02  0.317103E-06 0.100000E-04    0.957311E+00
 102   -0.930456E-04    0.288371E+02  0.322660E-05 0.100000E-04    0.996580E+00
 103    0.162463E-05    0.287025E+02 -0.566025E-07 0.100000E-04    0.808552E+00
 104    0.691058E-04    0.278588E+02 -0.248057E-05 0.100000E-04    0.997338E+00
 105   -0.506092E-04    0.229270E+02  0.220740E-05 0.100000E-04    0.991601E+00
 106   -0.895998E-05    0.216411E+02  0.414025E-06 0.100000E-04    0.927252E+00
 107   -0.120949E-03    0.201888E+02  0.599091E-05 0.100000E-04    0.995610E+00
 108   -0.189107E-04    0.168250E+02  0.112397E-05 0.100000E-04    0.946472E+00
 109    0.760392E-04    0.137757E+02 -0.551982E-05 0.100000E-04    0.991274E+00
 110    0.352631E-02    0.122663E+02 -0.100000E-04 0.100000E-04    0.530502E+00
 111    0.462859E-02    0.984333E+01 -0.100000E-04 0.100000E-04    0.808418E+00
 112   -0.353399E-02    0.928367E+01  0.109000E-04 0.109000E-04    0.178736E+00
 113    0.175020E-01    0.737232E+01 -0.134429E-04 0.134429E-04    0.845816E-01
 114    0.578275E+00    0.442914E+01  0.400000E-03 0.400000E-03    0.412614E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1284087706    

 Beginning of optimization cycle  287.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3670541169
 potential> RMS force:                                               0.0543542888   |gradient|=.5803449951    
 Eigenvalues of the Hessian matrix:
   730.79506    673.18681    626.44253    604.40900    588.67228    569.66161 
   566.59635    481.88824    466.02164    461.60220    441.34879    430.00238 
   421.63747    407.61458    397.60254    388.84883    367.62400    362.12176 
   351.14909    337.11046    325.45053    321.52096    319.94018    313.75101 
   304.39932    288.23097    279.00642    270.71332    266.51291    263.88570 
   259.04278    253.82753    242.45126    237.83906    235.53915    228.63976 
   221.04833    213.43466    212.05987    207.66432    203.46613    197.76201 
   195.40058    191.57340    184.71298    175.58212    171.59430    167.57160 
   165.29587    159.42634    153.75690    151.12273    148.95553    143.16611 
   137.02475    135.66035    130.74020    127.87344    126.05789    125.56896 
   119.65993    118.02895    116.94438    111.29333    108.28179    104.89188 
   103.04852     99.84889     96.21048     95.05637     92.38060     90.38908 
    89.82009     84.86582     80.91693     79.70301     78.34917     72.73595 
    72.01430     68.29594     67.11079     63.31598     60.55169     59.69549 
    59.03098     56.00474     52.94443     52.25249     50.13328     47.71044 
    42.94764     40.28040     37.23530     36.00123     35.12168     28.83647 
    28.70155     27.85054     22.92779     21.63598     20.19364     16.82492 
    13.77592     12.26572      9.84385      9.27517      7.36811      4.42497 
overlap for current and previous eigenvector    109 is         0.9999995331
overlap for current and previous eigenvector    110 is         0.9999994137
overlap for current and previous eigenvector    111 is         0.9999781362
overlap for current and previous eigenvector    112 is         0.9999731401
overlap for current and previous eigenvector    113 is         0.9999947768
overlap for current and previous eigenvector    114 is         0.9999996919
J1,K1,R1,R2,RAT=   7   7   -0.8590204457E-02     2.008421122        0.9914097955    
FOB,PFOB,DIAG,PSTEP=   -0.3041005396E-05   -0.3015102856E-05     730.7950608        0.4126133222E-08
J1,K1,R1,R2,RAT=   8   8   -0.8165978714E-02     2.008136068        0.9918340213    
FOB,PFOB,DIAG,PSTEP=   -0.3903722077E-05   -0.3872102100E-05     673.1868122        0.5751984351E-08
J1,K1,R1,R2,RAT=   9   9    0.9862110900E-01     1.901338222        0.9013382223    
FOB,PFOB,DIAG,PSTEP=    0.2379685477E-06    0.2640056025E-06     626.4425268       -0.4214448408E-09
J1,K1,R1,R2,RAT=  10  10    0.3867667992E-02     1.996146289        0.9961323320    
FOB,PFOB,DIAG,PSTEP=    0.1824400619E-05    0.1831484142E-05     604.4090041       -0.3030185436E-08
J1,K1,R1,R2,RAT=  11  11    0.1083122901E-01     1.989200215        0.9891687710    
FOB,PFOB,DIAG,PSTEP=   -0.1255152050E-05   -0.1268895532E-05     588.6722850        0.2155487213E-08
J1,K1,R1,R2,RAT= 109 109   -0.6172561907E-02     2.006136889        0.9938274381    
FOB,PFOB,DIAG,PSTEP=    0.7650853933E-04    0.7603917444E-04     13.77591921       -0.5519815383E-05
J1,K1,R1,R2,RAT= 110 110   -0.4648788303         57.96349673        0.5351211697    
FOB,PFOB,DIAG,PSTEP=    0.3583329882E-02    0.3526309155E-02     12.26571797       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1812892934         93.85887649        0.8187107066    
FOB,PFOB,DIAG,PSTEP=    0.4610741079E-02    0.4628586927E-02     9.843851057       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7100365024         70.62122352        0.2899634976    
FOB,PFOB,DIAG,PSTEP=   -0.3605773479E-02   -0.3533989221E-02     9.275173501        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8068606999         354.2094182        0.1931393001    
FOB,PFOB,DIAG,PSTEP=    0.1758195504E-01    0.1750203652E-01     7.368112578       -0.1344288986E-04
J1,K1,R1,R2,RAT= 114 114    0.9957547209        -654.4194180        0.4245279095E-02
FOB,PFOB,DIAG,PSTEP=    0.5800379147        0.5782754425         4.424965570        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002     -0.00003      0.00002      0.00002     -0.00001     -0.00003 
    -0.00000      0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
    -0.00002     -0.00003     -0.00006      0.00002     -0.00006     -0.00000 
     0.00001      0.00002      0.00002     -0.00000     -0.00001      0.00003 
     0.00004      0.00001      0.00004      0.00000     -0.00005      0.00003 
     0.00000     -0.00006      0.00003      0.00004     -0.00003     -0.00001 
    -0.00004     -0.00004     -0.00011      0.00011     -0.00001     -0.00009 
     0.00000      0.00007     -0.00005     -0.00001     -0.00012     -0.00002 
     0.00008      0.00358      0.00461     -0.00361      0.01758      0.58004 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4315043861
 Log product of positive Hessian eigenvalues =          519.9693916260
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4249655698
 Unscaled step for mode    7=        0.0000000042
 Unscaled step for mode    8=        0.0000000058
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000008
 Unscaled step for mode   13=        0.0000000058
 Unscaled step for mode   14=        0.0000000066
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000109
 Unscaled step for mode   17=       -0.0000000089
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000342
 Unscaled step for mode   20=       -0.0000000204
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000142
 Unscaled step for mode   23=        0.0000000001
 Unscaled step for mode   24=        0.0000000014
 Unscaled step for mode   25=        0.0000000505
 Unscaled step for mode   26=        0.0000000875
 Unscaled step for mode   27=        0.0000000456
 Unscaled step for mode   28=       -0.0000000291
 Unscaled step for mode   29=       -0.0000000142
 Unscaled step for mode   30=        0.0000000755
 Unscaled step for mode   31=        0.0000000362
 Unscaled step for mode   32=        0.0000000168
 Unscaled step for mode   33=       -0.0000000365
 Unscaled step for mode   34=       -0.0000000287
 Unscaled step for mode   35=       -0.0000000868
 Unscaled step for mode   36=       -0.0000000527
 Unscaled step for mode   37=        0.0000000594
 Unscaled step for mode   38=        0.0000000102
 Unscaled step for mode   39=        0.0000000726
 Unscaled step for mode   40=        0.0000000057
 Unscaled step for mode   41=        0.0000001378
 Unscaled step for mode   42=        0.0000000404
 Unscaled step for mode   43=       -0.0000000479
 Unscaled step for mode   44=        0.0000000909
 Unscaled step for mode   45=       -0.0000000058
 Unscaled step for mode   46=       -0.0000000935
 Unscaled step for mode   47=        0.0000001410
 Unscaled step for mode   48=       -0.0000000170
 Unscaled step for mode   49=        0.0000001075
 Unscaled step for mode   50=        0.0000000481
 Unscaled step for mode   51=        0.0000000745
 Unscaled step for mode   52=       -0.0000000113
 Unscaled step for mode   53=        0.0000000649
 Unscaled step for mode   54=        0.0000000809
 Unscaled step for mode   55=        0.0000001162
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=       -0.0000000492
 Unscaled step for mode   58=        0.0000001412
 Unscaled step for mode   59=       -0.0000000108
 Unscaled step for mode   60=       -0.0000001376
 Unscaled step for mode   61=        0.0000001566
 Unscaled step for mode   62=        0.0000002283
 Unscaled step for mode   63=       -0.0000001718
 Unscaled step for mode   64=       -0.0000001511
 Unscaled step for mode   65=        0.0000000628
 Unscaled step for mode   66=        0.0000002012
 Unscaled step for mode   67=        0.0000000417
 Unscaled step for mode   68=       -0.0000000726
 Unscaled step for mode   69=        0.0000000379
 Unscaled step for mode   70=        0.0000001995
 Unscaled step for mode   71=        0.0000000413
 Unscaled step for mode   72=        0.0000004584
 Unscaled step for mode   73=        0.0000002326
 Unscaled step for mode   74=        0.0000002974
 Unscaled step for mode   75=        0.0000005926
 Unscaled step for mode   76=       -0.0000002480
 Unscaled step for mode   77=        0.0000006697
 Unscaled step for mode   78=        0.0000000082
 Unscaled step for mode   79=       -0.0000001618
 Unscaled step for mode   80=       -0.0000002360
 Unscaled step for mode   81=       -0.0000002415
 Unscaled step for mode   82=        0.0000000496
 Unscaled step for mode   83=        0.0000001888
 Unscaled step for mode   84=       -0.0000004591
 Unscaled step for mode   85=       -0.0000005861
 Unscaled step for mode   86=       -0.0000001008
 Unscaled step for mode   87=       -0.0000006024
 Unscaled step for mode   88=       -0.0000000344
 Unscaled step for mode   89=        0.0000008375
 Unscaled step for mode   90=       -0.0000004436
 Unscaled step for mode   91=       -0.0000000145
 Unscaled step for mode   92=        0.0000010478
 Unscaled step for mode   93=       -0.0000006525
 Unscaled step for mode   94=       -0.0000007927
 Unscaled step for mode   95=        0.0000005619
 Unscaled step for mode   96=        0.0000002103
 Unscaled step for mode   97=        0.0000008984
 Unscaled step for mode   98=        0.0000008890
 Unscaled step for mode   99=        0.0000030106
 Unscaled step for mode  100=       -0.0000030415
 Unscaled step for mode  101=        0.0000003193
 Unscaled step for mode  102=        0.0000032300
 Unscaled step for mode  103=       -0.0000000354
 Unscaled step for mode  104=       -0.0000025006
 Unscaled step for mode  105=        0.0000022039
 Unscaled step for mode  106=        0.0000004024
 Unscaled step for mode  107=        0.0000059504
 Unscaled step for mode  108=        0.0000011314
 Unscaled step for mode  109=       -0.0000055538
 Unscaled step for mode  110=       -0.0002921419
 Unscaled step for mode  111=       -0.0004683878
 Unscaled step for mode  112=        0.0003887553
 Unscaled step for mode  113=       -0.0023862088
 Unscaled step for mode  114=        0.1289048969
 Largest modulus ratio of non-zero e/values=           165.1527112    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.278206E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.901623E-15    0.100722E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.659195E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.558614E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.173147E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.839145E-15    0.973826E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.304101E-05    0.730795E+03  0.416123E-08 0.100000E-04    0.991410E+00
   8   -0.390372E-05    0.673187E+03  0.579887E-08 0.100000E-04    0.991834E+00
   9    0.237969E-06    0.626443E+03 -0.379873E-09 0.100000E-04    0.901338E+00
  10    0.182440E-05    0.604409E+03 -0.301849E-08 0.100000E-04    0.996132E+00
  11   -0.125515E-05    0.588672E+03  0.213217E-08 0.100000E-04    0.989169E+00
  12   -0.461689E-06    0.569662E+03  0.810462E-09 0.100000E-04    0.808373E+00
  13   -0.327851E-05    0.566596E+03  0.578632E-08 0.100000E-04    0.999509E+00
  14   -0.318097E-05    0.481888E+03  0.660105E-08 0.100000E-04    0.985099E+00
  15    0.177557E-05    0.466022E+03 -0.381006E-08 0.100000E-04    0.994611E+00
  16    0.502964E-05    0.461602E+03 -0.108960E-07 0.100000E-04    0.996646E+00
  17    0.392604E-05    0.441349E+03 -0.889555E-08 0.100000E-04    0.996435E+00
  18    0.485158E-05    0.430002E+03 -0.112827E-07 0.100000E-04    0.994925E+00
  19   -0.144198E-04    0.421637E+03  0.341995E-07 0.100000E-04    0.998060E+00
  20    0.833073E-05    0.407615E+03 -0.204378E-07 0.100000E-04    0.994510E+00
  21    0.729482E-05    0.397603E+03 -0.183470E-07 0.100000E-04    0.997342E+00
  22   -0.552059E-05    0.388849E+03  0.141973E-07 0.100000E-04    0.988810E+00
  23   -0.431892E-07    0.367624E+03  0.117482E-09 0.100000E-04    0.475361E+00
  24   -0.494286E-06    0.362122E+03  0.136497E-08 0.100000E-04    0.883904E+00
  25   -0.177182E-04    0.351149E+03  0.504577E-07 0.100000E-04    0.998102E+00
  26   -0.295002E-04    0.337110E+03  0.875089E-07 0.100000E-04    0.997304E+00
  27   -0.148331E-04    0.325451E+03  0.455772E-07 0.100000E-04    0.997588E+00
  28    0.936594E-05    0.321521E+03 -0.291301E-07 0.100000E-04    0.988699E+00
  29    0.453735E-05    0.319940E+03 -0.141819E-07 0.100000E-04    0.981054E+00
  30   -0.236749E-04    0.313751E+03  0.754577E-07 0.100000E-04    0.997058E+00
  31   -0.110301E-04    0.304399E+03  0.362355E-07 0.100000E-04    0.991709E+00
  32   -0.483260E-05    0.288231E+03  0.167664E-07 0.100000E-04    0.987777E+00
  33    0.101719E-04    0.279006E+03 -0.364576E-07 0.100000E-04    0.996505E+00
  34    0.777405E-05    0.270713E+03 -0.287169E-07 0.100000E-04    0.992973E+00
  35    0.231242E-04    0.266513E+03 -0.867658E-07 0.100000E-04    0.997558E+00
  36    0.138968E-04    0.263886E+03 -0.526620E-07 0.100000E-04    0.991260E+00
  37   -0.153762E-04    0.259043E+03  0.593578E-07 0.100000E-04    0.996506E+00
  38   -0.257836E-05    0.253828E+03  0.101579E-07 0.100000E-04    0.985609E+00
  39   -0.175966E-04    0.242451E+03  0.725777E-07 0.100000E-04    0.998276E+00
  40   -0.134526E-05    0.237839E+03  0.565616E-08 0.100000E-04    0.766561E+00
  41   -0.324537E-04    0.235539E+03  0.137785E-06 0.100000E-04    0.993462E+00
  42   -0.924003E-05    0.228640E+03  0.404130E-07 0.100000E-04    0.988778E+00
  43    0.105963E-04    0.221048E+03 -0.479366E-07 0.100000E-04    0.991129E+00
  44   -0.194064E-04    0.213435E+03  0.909245E-07 0.100000E-04    0.990688E+00
  45    0.122917E-05    0.212060E+03 -0.579633E-08 0.100000E-04    0.975054E+00
  46    0.194103E-04    0.207664E+03 -0.934696E-07 0.100000E-04    0.993901E+00
  47   -0.286806E-04    0.203466E+03  0.140960E-06 0.100000E-04    0.996995E+00
  48    0.336661E-05    0.197762E+03 -0.170236E-07 0.100000E-04    0.995216E+00
  49   -0.210034E-04    0.195401E+03  0.107489E-06 0.100000E-04    0.994841E+00
  50   -0.921350E-05    0.191573E+03  0.480938E-07 0.100000E-04    0.993606E+00
  51   -0.137681E-04    0.184713E+03  0.745379E-07 0.100000E-04    0.996383E+00
  52    0.198595E-05    0.175582E+03 -0.113106E-07 0.100000E-04    0.984555E+00
  53   -0.111289E-04    0.171594E+03  0.648561E-07 0.100000E-04    0.999100E+00
  54   -0.135486E-04    0.167572E+03  0.808528E-07 0.100000E-04    0.994184E+00
  55   -0.192140E-04    0.165296E+03  0.116240E-06 0.100000E-04    0.997998E+00
  56    0.595075E-05    0.159426E+03 -0.373260E-07 0.100000E-04    0.992495E+00
  57    0.757111E-05    0.153757E+03 -0.492408E-07 0.100000E-04    0.998804E+00
  58   -0.213383E-04    0.151123E+03  0.141198E-06 0.100000E-04    0.996927E+00
  59    0.160346E-05    0.148956E+03 -0.107647E-07 0.100000E-04    0.951689E+00
  60    0.197044E-04    0.143166E+03 -0.137633E-06 0.100000E-04    0.998339E+00
  61   -0.214532E-04    0.137025E+03  0.156565E-06 0.100000E-04    0.996881E+00
  62   -0.309685E-04    0.135660E+03  0.228279E-06 0.100000E-04    0.999340E+00
  63    0.224622E-04    0.130740E+03 -0.171808E-06 0.100000E-04    0.998626E+00
  64    0.193228E-04    0.127873E+03 -0.151108E-06 0.100000E-04    0.993409E+00
  65   -0.791193E-05    0.126058E+03  0.627642E-07 0.100000E-04    0.979926E+00
  66   -0.252683E-04    0.125569E+03  0.201231E-06 0.100000E-04    0.998393E+00
  67   -0.498931E-05    0.119660E+03  0.416958E-07 0.100000E-04    0.979495E+00
  68    0.856746E-05    0.118029E+03 -0.725878E-07 0.100000E-04    0.999452E+00
  69   -0.443343E-05    0.116944E+03  0.379106E-07 0.100000E-04    0.998635E+00
  70   -0.221993E-04    0.111293E+03  0.199467E-06 0.100000E-04    0.993433E+00
  71   -0.446706E-05    0.108282E+03  0.412540E-07 0.100000E-04    0.987414E+00
  72   -0.480847E-04    0.104892E+03  0.458421E-06 0.100000E-04    0.995600E+00
  73   -0.239713E-04    0.103049E+03  0.232621E-06 0.100000E-04    0.997165E+00
  74   -0.296977E-04    0.998489E+02  0.297427E-06 0.100000E-04    0.998614E+00
  75   -0.570102E-04    0.962105E+02  0.592557E-06 0.100000E-04    0.993734E+00
  76    0.235745E-04    0.950564E+02 -0.248006E-06 0.100000E-04    0.989379E+00
  77   -0.618645E-04    0.923806E+02  0.669670E-06 0.100000E-04    0.998444E+00
  78   -0.742126E-06    0.903891E+02  0.821035E-08 0.100000E-04    0.941437E+00
  79    0.145339E-04    0.898201E+02 -0.161811E-06 0.100000E-04    0.989844E+00
  80    0.200322E-04    0.848658E+02 -0.236046E-06 0.100000E-04    0.999190E+00
  81    0.195412E-04    0.809169E+02 -0.241497E-06 0.100000E-04    0.996236E+00
  82   -0.395531E-05    0.797030E+02  0.496256E-07 0.100000E-04    0.957524E+00
  83   -0.147904E-04    0.783492E+02  0.188776E-06 0.100000E-04    0.999580E+00
  84    0.333940E-04    0.727359E+02 -0.459112E-06 0.100000E-04    0.997405E+00
  85    0.422071E-04    0.720143E+02 -0.586093E-06 0.100000E-04    0.998651E+00
  86    0.688101E-05    0.682959E+02 -0.100753E-06 0.100000E-04    0.964035E+00
  87    0.404280E-04    0.671108E+02 -0.602407E-06 0.100000E-04    0.999729E+00
  88    0.218066E-05    0.633160E+02 -0.344410E-07 0.100000E-04    0.928432E+00
  89   -0.507113E-04    0.605517E+02  0.837488E-06 0.100000E-04    0.999854E+00
  90    0.264815E-04    0.596955E+02 -0.443611E-06 0.100000E-04    0.998496E+00
  91    0.857312E-06    0.590310E+02 -0.145231E-07 0.100000E-04    0.944133E+00
  92   -0.586844E-04    0.560047E+02  0.104785E-05 0.100000E-04    0.999163E+00
  93    0.345487E-04    0.529444E+02 -0.652546E-06 0.100000E-04    0.995865E+00
  94    0.414202E-04    0.522525E+02 -0.792693E-06 0.100000E-04    0.996842E+00
  95   -0.281714E-04    0.501333E+02  0.561930E-06 0.100000E-04    0.996351E+00
  96   -0.100314E-04    0.477104E+02  0.210255E-06 0.100000E-04    0.998201E+00
  97   -0.385863E-04    0.429476E+02  0.898449E-06 0.100000E-04    0.996965E+00
  98   -0.358106E-04    0.402804E+02  0.889032E-06 0.100000E-04    0.997529E+00
  99   -0.112100E-03    0.372353E+02  0.301057E-05 0.100000E-04    0.999491E+00
 100    0.109499E-03    0.360012E+02 -0.304155E-05 0.100000E-04    0.995809E+00
 101   -0.112159E-04    0.351217E+02  0.319344E-06 0.100000E-04    0.993250E+00
 102   -0.931412E-04    0.288365E+02  0.322998E-05 0.100000E-04    0.998972E+00
 103    0.101688E-05    0.287015E+02 -0.354296E-07 0.100000E-04    0.625904E+00
 104    0.696418E-04    0.278505E+02 -0.250056E-05 0.100000E-04    0.992242E+00
 105   -0.505308E-04    0.229278E+02  0.220391E-05 0.100000E-04    0.998382E+00
 106   -0.870670E-05    0.216360E+02  0.402418E-06 0.100000E-04    0.971726E+00
 107   -0.120161E-03    0.201936E+02  0.595042E-05 0.100000E-04    0.993000E+00
 108   -0.190353E-04    0.168249E+02  0.113138E-05 0.100000E-04    0.993412E+00
 109    0.765085E-04    0.137759E+02 -0.555379E-05 0.100000E-04    0.993827E+00
 110    0.358333E-02    0.122657E+02 -0.100000E-04 0.100000E-04    0.535121E+00
 111    0.461074E-02    0.984385E+01 -0.100000E-04 0.100000E-04    0.818711E+00
 112   -0.360577E-02    0.927517E+01  0.100000E-04 0.100000E-04    0.289963E+00
 113    0.175820E-01    0.736811E+01 -0.146527E-04 0.146527E-04    0.193139E+00
 114    0.580038E+00    0.442497E+01  0.400000E-03 0.400000E-03    0.424528E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1289048969    

 Beginning of optimization cycle  288.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3668221227
 potential> RMS force:                                               0.0545193809   |gradient|=.5821076960    
 Eigenvalues of the Hessian matrix:
   730.85688    673.19671    626.45518    604.40491    588.66289    569.70415 
   566.60557    481.91225    465.99832    461.59465    441.34944    429.99445 
   421.64266    407.62345    397.59759    388.84895    367.63002    362.11263 
   351.14172    337.08547    325.46074    321.51933    319.94987    313.72364 
   304.38999    288.23877    279.00104    270.71289    266.52138    263.89455 
   259.05460    253.82993    242.44667    237.84587    235.53065    228.63756 
   221.02791    213.44245    212.06516    207.65567    203.46872    197.75677 
   195.39802    191.57255    184.70275    175.56991    171.60039    167.57025 
   165.29063    159.41702    153.76136    151.12695    148.94976    143.16857 
   137.02626    135.66466    130.73845    127.87723    126.05805    125.57088 
   119.66180    118.02990    116.94634    111.28691    108.27189    104.88869 
   103.04973     99.84691     96.20212     95.05351     92.39327     90.38945 
    89.82051     84.86860     80.91697     79.70568     78.34776     72.73657 
    72.01872     68.29566     67.09849     63.31419     60.54181     59.69638 
    59.03223     56.00568     52.94043     52.25321     50.13187     47.70712 
    42.94562     40.28283     37.23930     36.00555     35.11045     28.83588 
    28.70059     27.84224     22.92864     21.63079     20.19845     16.82484 
    13.77617     12.26518      9.84442      9.26663      7.36385      4.42078 
overlap for current and previous eigenvector    109 is         0.9999995329
overlap for current and previous eigenvector    110 is         0.9999994154
overlap for current and previous eigenvector    111 is         0.9999793707
overlap for current and previous eigenvector    112 is         0.9999742962
overlap for current and previous eigenvector    113 is         0.9999947082
overlap for current and previous eigenvector    114 is         0.9999996936
J1,K1,R1,R2,RAT=   7   7   -0.8013578918E-02     2.007844401        0.9919864211    
FOB,PFOB,DIAG,PSTEP=   -0.3065376794E-05   -0.3041005396E-05     730.8568830        0.4161228721E-08
J1,K1,R1,R2,RAT=   8   8   -0.9158959909E-02     2.009129554        0.9908410401    
FOB,PFOB,DIAG,PSTEP=   -0.3939476636E-05   -0.3903722077E-05     673.1967101        0.5798868911E-08
J1,K1,R1,R2,RAT=   9   9   -0.1794910594E-01     2.017908716        0.9820508941    
FOB,PFOB,DIAG,PSTEP=    0.2422399567E-06    0.2379685477E-06     626.4551780       -0.3798729134E-09
J1,K1,R1,R2,RAT=  10  10    0.6810474094E-02     1.993203089        0.9931895259    
FOB,PFOB,DIAG,PSTEP=    0.1811975670E-05    0.1824400619E-05     604.4049054       -0.3018486831E-08
J1,K1,R1,R2,RAT=  11  11   -0.8741629741E-02     2.008773565        0.9912583703    
FOB,PFOB,DIAG,PSTEP=   -0.1266123949E-05   -0.1255152050E-05     588.6628855        0.2132174526E-08
J1,K1,R1,R2,RAT= 109 109    0.5257478440E-02     1.994706772        0.9947067723    
FOB,PFOB,DIAG,PSTEP=    0.7610629014E-04    0.7650853933E-04     13.77616545       -0.5553788330E-05
J1,K1,R1,R2,RAT= 110 110   -0.4629602199         58.89391269        0.5370397801    
FOB,PFOB,DIAG,PSTEP=    0.3640112772E-02    0.3583329882E-02     12.26517703       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1930471243         93.47908987        0.8069528757    
FOB,PFOB,DIAG,PSTEP=    0.4591736701E-02    0.4610741079E-02     9.844423810       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8570606187         78.67985653        0.1429393813    
FOB,PFOB,DIAG,PSTEP=   -0.3685194076E-02   -0.3605773479E-02     9.266625382        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.6601935388         326.5519087        0.3398064612    
FOB,PFOB,DIAG,PSTEP=    0.1765319032E-01    0.1758195504E-01     7.363846088       -0.1465274994E-04
J1,K1,R1,R2,RAT= 114 114    0.9957383475        -657.0321658        0.4261652493E-02
FOB,PFOB,DIAG,PSTEP=    0.5817986888        0.5800379147         4.420775207        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00002     -0.00003      0.00002      0.00002     -0.00001     -0.00003 
    -0.00001      0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
    -0.00002     -0.00003     -0.00006      0.00002      0.00006      0.00000 
    -0.00001      0.00002      0.00002      0.00000      0.00001      0.00003 
     0.00004      0.00001      0.00004      0.00000     -0.00005      0.00003 
     0.00000     -0.00006      0.00003      0.00004     -0.00003     -0.00001 
    -0.00004      0.00004      0.00011     -0.00011     -0.00001     -0.00009 
     0.00000      0.00007     -0.00005     -0.00001     -0.00012     -0.00002 
     0.00008      0.00364      0.00459     -0.00369      0.01765      0.58180 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4313922471
 Log product of positive Hessian eigenvalues =          519.9660104304
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4207752072
 Unscaled step for mode    7=        0.0000000042
 Unscaled step for mode    8=        0.0000000059
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000009
 Unscaled step for mode   13=        0.0000000058
 Unscaled step for mode   14=        0.0000000065
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000109
 Unscaled step for mode   17=       -0.0000000089
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000343
 Unscaled step for mode   20=       -0.0000000204
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000142
 Unscaled step for mode   23=        0.0000000001
 Unscaled step for mode   24=        0.0000000014
 Unscaled step for mode   25=        0.0000000506
 Unscaled step for mode   26=        0.0000000877
 Unscaled step for mode   27=        0.0000000457
 Unscaled step for mode   28=       -0.0000000295
 Unscaled step for mode   29=       -0.0000000144
 Unscaled step for mode   30=        0.0000000757
 Unscaled step for mode   31=        0.0000000365
 Unscaled step for mode   32=        0.0000000168
 Unscaled step for mode   33=       -0.0000000365
 Unscaled step for mode   34=       -0.0000000288
 Unscaled step for mode   35=       -0.0000000869
 Unscaled step for mode   36=       -0.0000000530
 Unscaled step for mode   37=        0.0000000596
 Unscaled step for mode   38=        0.0000000101
 Unscaled step for mode   39=        0.0000000727
 Unscaled step for mode   40=        0.0000000065
 Unscaled step for mode   41=        0.0000001384
 Unscaled step for mode   42=        0.0000000406
 Unscaled step for mode   43=       -0.0000000484
 Unscaled step for mode   44=        0.0000000915
 Unscaled step for mode   45=       -0.0000000055
 Unscaled step for mode   46=       -0.0000000940
 Unscaled step for mode   47=        0.0000001412
 Unscaled step for mode   48=       -0.0000000172
 Unscaled step for mode   49=        0.0000001081
 Unscaled step for mode   50=        0.0000000478
 Unscaled step for mode   51=        0.0000000750
 Unscaled step for mode   52=       -0.0000000115
 Unscaled step for mode   53=        0.0000000651
 Unscaled step for mode   54=        0.0000000815
 Unscaled step for mode   55=        0.0000001164
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000497
 Unscaled step for mode   58=        0.0000001416
 Unscaled step for mode   59=       -0.0000000106
 Unscaled step for mode   60=       -0.0000001384
 Unscaled step for mode   61=       -0.0000001573
 Unscaled step for mode   62=        0.0000002280
 Unscaled step for mode   63=       -0.0000001716
 Unscaled step for mode   64=       -0.0000001524
 Unscaled step for mode   65=        0.0000000645
 Unscaled step for mode   66=        0.0000002006
 Unscaled step for mode   67=        0.0000000422
 Unscaled step for mode   68=       -0.0000000727
 Unscaled step for mode   69=        0.0000000380
 Unscaled step for mode   70=        0.0000002006
 Unscaled step for mode   71=        0.0000000414
 Unscaled step for mode   72=        0.0000004596
 Unscaled step for mode   73=        0.0000002337
 Unscaled step for mode   74=        0.0000002968
 Unscaled step for mode   75=        0.0000005967
 Unscaled step for mode   76=       -0.0000002457
 Unscaled step for mode   77=       -0.0000006701
 Unscaled step for mode   78=       -0.0000000075
 Unscaled step for mode   79=        0.0000001591
 Unscaled step for mode   80=       -0.0000002372
 Unscaled step for mode   81=       -0.0000002419
 Unscaled step for mode   82=       -0.0000000474
 Unscaled step for mode   83=       -0.0000001904
 Unscaled step for mode   84=       -0.0000004602
 Unscaled step for mode   85=       -0.0000005860
 Unscaled step for mode   86=       -0.0000000966
 Unscaled step for mode   87=       -0.0000006044
 Unscaled step for mode   88=       -0.0000000350
 Unscaled step for mode   89=        0.0000008395
 Unscaled step for mode   90=       -0.0000004442
 Unscaled step for mode   91=       -0.0000000154
 Unscaled step for mode   92=        0.0000010513
 Unscaled step for mode   93=       -0.0000006487
 Unscaled step for mode   94=       -0.0000007936
 Unscaled step for mode   95=        0.0000005572
 Unscaled step for mode   96=        0.0000002105
 Unscaled step for mode   97=        0.0000008987
 Unscaled step for mode   98=       -0.0000008932
 Unscaled step for mode   99=       -0.0000030144
 Unscaled step for mode  100=        0.0000030380
 Unscaled step for mode  101=        0.0000003219
 Unscaled step for mode  102=        0.0000032311
 Unscaled step for mode  103=       -0.0000000178
 Unscaled step for mode  104=       -0.0000024964
 Unscaled step for mode  105=        0.0000022157
 Unscaled step for mode  106=        0.0000003788
 Unscaled step for mode  107=        0.0000059661
 Unscaled step for mode  108=        0.0000011125
 Unscaled step for mode  109=       -0.0000055245
 Unscaled step for mode  110=       -0.0002967843
 Unscaled step for mode  111=       -0.0004664301
 Unscaled step for mode  112=        0.0003976845
 Unscaled step for mode  113=       -0.0023972648
 Unscaled step for mode  114=        0.1294018660
 Largest modulus ratio of non-zero e/values=           165.3232406    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.304444E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.777265E-15    0.100722E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.251967E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.321358E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.117961E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.575332E-15    0.973828E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.306538E-05    0.730857E+03  0.419422E-08 0.100000E-04    0.991986E+00
   8   -0.393948E-05    0.673197E+03  0.585190E-08 0.100000E-04    0.990841E+00
   9    0.242240E-06    0.626455E+03 -0.386684E-09 0.100000E-04    0.982051E+00
  10    0.181198E-05    0.604405E+03 -0.299795E-08 0.100000E-04    0.993190E+00
  11   -0.126612E-05    0.588663E+03  0.215085E-08 0.100000E-04    0.991258E+00
  12   -0.499649E-06    0.569704E+03  0.877033E-09 0.100000E-04    0.917785E+00
  13   -0.331121E-05    0.566606E+03  0.584393E-08 0.100000E-04    0.990028E+00
  14   -0.314038E-05    0.481912E+03  0.651650E-08 0.100000E-04    0.987141E+00
  15    0.179819E-05    0.465998E+03 -0.385879E-08 0.100000E-04    0.987258E+00
  16    0.504604E-05    0.461595E+03 -0.109317E-07 0.100000E-04    0.996740E+00
  17    0.393550E-05    0.441349E+03 -0.891696E-08 0.100000E-04    0.997591E+00
  18    0.487862E-05    0.429994E+03 -0.113458E-07 0.100000E-04    0.994427E+00
  19   -0.144560E-04    0.421643E+03  0.342849E-07 0.100000E-04    0.997490E+00
  20    0.831583E-05    0.407623E+03 -0.204008E-07 0.100000E-04    0.998168E+00
  21    0.729279E-05    0.397598E+03 -0.183421E-07 0.100000E-04    0.999721E+00
  22   -0.554026E-05    0.388849E+03  0.142478E-07 0.100000E-04    0.996438E+00
  23   -0.323598E-07    0.367630E+03  0.880229E-10 0.100000E-04    0.749230E+00
  24   -0.502754E-06    0.362113E+03  0.138839E-08 0.100000E-04    0.982867E+00
  25   -0.177819E-04    0.351142E+03  0.506401E-07 0.100000E-04    0.996406E+00
  26   -0.295625E-04    0.337085E+03  0.877003E-07 0.100000E-04    0.997888E+00
  27   -0.148864E-04    0.325461E+03  0.457394E-07 0.100000E-04    0.996410E+00
  28    0.947564E-05    0.321519E+03 -0.294715E-07 0.100000E-04    0.988287E+00
  29    0.459340E-05    0.319950E+03 -0.143566E-07 0.100000E-04    0.987649E+00
  30   -0.237342E-04    0.313724E+03  0.756531E-07 0.100000E-04    0.997497E+00
  31   -0.111237E-04    0.304390E+03  0.365442E-07 0.100000E-04    0.991511E+00
  32   -0.484002E-05    0.288239E+03  0.167917E-07 0.100000E-04    0.998463E+00
  33    0.101782E-04    0.279001E+03 -0.364810E-07 0.100000E-04    0.999378E+00
  34    0.780562E-05    0.270713E+03 -0.288336E-07 0.100000E-04    0.995939E+00
  35    0.231621E-04    0.266521E+03 -0.869054E-07 0.100000E-04    0.998360E+00
  36    0.139737E-04    0.263895E+03 -0.529518E-07 0.100000E-04    0.994464E+00
  37   -0.154412E-04    0.259055E+03  0.596058E-07 0.100000E-04    0.995776E+00
  38   -0.256278E-05    0.253830E+03  0.100965E-07 0.100000E-04    0.993940E+00
  39   -0.176228E-04    0.242447E+03  0.726873E-07 0.100000E-04    0.998509E+00
  40   -0.155727E-05    0.237846E+03  0.654739E-08 0.100000E-04    0.842403E+00
  41   -0.325944E-04    0.235531E+03  0.138387E-06 0.100000E-04    0.995665E+00
  42   -0.928351E-05    0.228638E+03  0.406036E-07 0.100000E-04    0.995295E+00
  43    0.106885E-04    0.221028E+03 -0.483582E-07 0.100000E-04    0.991298E+00
  44   -0.195353E-04    0.213442E+03  0.915250E-07 0.100000E-04    0.993359E+00
  45    0.115648E-05    0.212065E+03 -0.545343E-08 0.100000E-04    0.940817E+00
  46    0.195198E-04    0.207656E+03 -0.940007E-07 0.100000E-04    0.994360E+00
  47   -0.287348E-04    0.203469E+03  0.141225E-06 0.100000E-04    0.998111E+00
  48    0.340513E-05    0.197757E+03 -0.172188E-07 0.100000E-04    0.988558E+00
  49   -0.211153E-04    0.195398E+03  0.108063E-06 0.100000E-04    0.994672E+00
  50   -0.916291E-05    0.191573E+03  0.478300E-07 0.100000E-04    0.994509E+00
  51   -0.138564E-04    0.184703E+03  0.750201E-07 0.100000E-04    0.993586E+00
  52    0.202538E-05    0.175570E+03 -0.115360E-07 0.100000E-04    0.980143E+00
  53   -0.111783E-04    0.171600E+03  0.651417E-07 0.100000E-04    0.995562E+00
  54   -0.136647E-04    0.167570E+03  0.815461E-07 0.100000E-04    0.991433E+00
  55   -0.192439E-04    0.165291E+03  0.116424E-06 0.100000E-04    0.998446E+00
  56    0.589930E-05    0.159417E+03 -0.370055E-07 0.100000E-04    0.991354E+00
  57    0.764543E-05    0.153761E+03 -0.497227E-07 0.100000E-04    0.990184E+00
  58   -0.214039E-04    0.151127E+03  0.141629E-06 0.100000E-04    0.996926E+00
  59    0.158028E-05    0.148950E+03 -0.106095E-07 0.100000E-04    0.985543E+00
  60    0.198102E-04    0.143169E+03 -0.138370E-06 0.100000E-04    0.994632E+00
  61    0.215486E-04    0.137026E+03 -0.157259E-06 0.100000E-04    0.995555E+00
  62   -0.309373E-04    0.135665E+03  0.228042E-06 0.100000E-04    0.998930E+00
  63    0.224355E-04    0.130738E+03 -0.171606E-06 0.100000E-04    0.998811E+00
  64    0.194869E-04    0.127877E+03 -0.152387E-06 0.100000E-04    0.991507E+00
  65   -0.813465E-05    0.126058E+03  0.645310E-07 0.100000E-04    0.971849E+00
  66   -0.251930E-04    0.125571E+03  0.200628E-06 0.100000E-04    0.996988E+00
  67   -0.504707E-05    0.119662E+03  0.421778E-07 0.100000E-04    0.988424E+00
  68    0.858639E-05    0.118030E+03 -0.727476E-07 0.100000E-04    0.997791E+00
  69   -0.444649E-05    0.116946E+03  0.380217E-07 0.100000E-04    0.997053E+00
  70   -0.223240E-04    0.111287E+03  0.200598E-06 0.100000E-04    0.994386E+00
  71   -0.447972E-05    0.108272E+03  0.413748E-07 0.100000E-04    0.997165E+00
  72   -0.482101E-04    0.104889E+03  0.459631E-06 0.100000E-04    0.997392E+00
  73   -0.240811E-04    0.103050E+03  0.233685E-06 0.100000E-04    0.995417E+00
  74   -0.296384E-04    0.998469E+02  0.296838E-06 0.100000E-04    0.998001E+00
  75   -0.574077E-04    0.962021E+02  0.596740E-06 0.100000E-04    0.993026E+00
  76    0.233587E-04    0.950535E+02 -0.245743E-06 0.100000E-04    0.990845E+00
  77    0.619123E-04    0.923933E+02 -0.670095E-06 0.100000E-04    0.999228E+00
  78    0.678882E-06    0.903894E+02 -0.751063E-08 0.100000E-04    0.914772E+00
  79   -0.142875E-04    0.898205E+02  0.159067E-06 0.100000E-04    0.983037E+00
  80    0.201317E-04    0.848686E+02 -0.237210E-06 0.100000E-04    0.995035E+00
  81    0.195731E-04    0.809170E+02 -0.241892E-06 0.100000E-04    0.998363E+00
  82    0.378027E-05    0.797057E+02 -0.474278E-07 0.100000E-04    0.955680E+00
  83    0.149162E-04    0.783478E+02 -0.190384E-06 0.100000E-04    0.991499E+00
  84    0.334748E-04    0.727366E+02 -0.460220E-06 0.100000E-04    0.997578E+00
  85    0.422038E-04    0.720187E+02 -0.586012E-06 0.100000E-04    0.999800E+00
  86    0.659950E-05    0.682957E+02 -0.966313E-07 0.100000E-04    0.959089E+00
  87    0.405557E-04    0.670985E+02 -0.604421E-06 0.100000E-04    0.996839E+00
  88    0.221374E-05    0.633142E+02 -0.349644E-07 0.100000E-04    0.984830E+00
  89   -0.508269E-04    0.605418E+02  0.839533E-06 0.100000E-04    0.997721E+00
  90    0.265189E-04    0.596964E+02 -0.444230E-06 0.100000E-04    0.998588E+00
  91    0.908413E-06    0.590322E+02 -0.153884E-07 0.100000E-04    0.940395E+00
  92   -0.588795E-04    0.560057E+02  0.105131E-05 0.100000E-04    0.996676E+00
  93    0.343404E-04    0.529404E+02 -0.648660E-06 0.100000E-04    0.993969E+00
  94    0.414683E-04    0.522532E+02 -0.793604E-06 0.100000E-04    0.998838E+00
  95   -0.279341E-04    0.501319E+02  0.557212E-06 0.100000E-04    0.991575E+00
  96   -0.100421E-04    0.477071E+02  0.210495E-06 0.100000E-04    0.998930E+00
  97   -0.385936E-04    0.429456E+02  0.898662E-06 0.100000E-04    0.999811E+00
  98    0.359787E-04    0.402828E+02 -0.893153E-06 0.100000E-04    0.995304E+00
  99    0.112254E-03    0.372393E+02 -0.301439E-05 0.100000E-04    0.998625E+00
 100   -0.109384E-03    0.360056E+02  0.303796E-05 0.100000E-04    0.998702E+00
 101   -0.113020E-04    0.351105E+02  0.321897E-06 0.100000E-04    0.992325E+00
 102   -0.931707E-04    0.288359E+02  0.323107E-05 0.100000E-04    0.999683E+00
 103    0.510391E-06    0.287006E+02 -0.177833E-07 0.100000E-04    0.501900E+00
 104    0.695048E-04    0.278422E+02 -0.249638E-05 0.100000E-04    0.998032E+00
 105   -0.508020E-04    0.229286E+02  0.221566E-05 0.100000E-04    0.994632E+00
 106   -0.819267E-05    0.216308E+02  0.378750E-06 0.100000E-04    0.940947E+00
 107   -0.120507E-03    0.201985E+02  0.596613E-05 0.100000E-04    0.997120E+00
 108   -0.187173E-04    0.168248E+02  0.111248E-05 0.100000E-04    0.983291E+00
 109    0.761063E-04    0.137762E+02 -0.552449E-05 0.100000E-04    0.994707E+00
 110    0.364011E-02    0.122652E+02 -0.100000E-04 0.100000E-04    0.537040E+00
 111    0.459174E-02    0.984442E+01 -0.100000E-04 0.100000E-04    0.806953E+00
 112   -0.368519E-02    0.926663E+01  0.109000E-04 0.109000E-04    0.142939E+00
 113    0.176532E-01    0.736385E+01 -0.132007E-04 0.132007E-04    0.339806E+00
 114    0.581799E+00    0.442078E+01  0.400000E-03 0.400000E-03    0.426165E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1294018660    

 Beginning of optimization cycle  289.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3665894044
 potential> RMS force:                                               0.0546843392   |gradient|=.5838689693    
 Eigenvalues of the Hessian matrix:
   730.91872    673.20674    626.46788    604.40049    588.65361    569.74655 
   566.61472    481.93633    465.97500    461.58709    441.35009    429.98643 
   421.64774    407.63224    397.59261    388.84897    367.63605    362.10351 
   351.13421    337.06054    325.47096    321.51767    319.95947    313.69630 
   304.38054    288.24656    278.99566    270.71247    266.52982    263.90332 
   259.06629    253.83228    242.44200    237.85283    235.52194    228.63528 
   221.00749    213.45018    212.07045    207.64707    203.47126    197.75147 
   195.39540    191.57173    184.69250    175.55774    171.60649    167.56889 
   165.28534    159.40772    153.76581    151.13122    148.94396    143.17107 
   137.02777    135.66891    130.73675    127.88102    126.05826    125.57274 
   119.66370    118.03086    116.94832    111.28051    108.26206    104.88555 
   103.05094     99.84497     96.19381     95.05059     92.40593     90.38992 
    89.82080     84.87139     80.91701     79.70831     78.34638     72.73725 
    72.02318     68.29546     67.08618     63.31239     60.53200     59.69727 
    59.03351     56.00665     52.93648     52.25396     50.13046     47.70383 
    42.94362     40.28529     37.24336     36.00996     35.09927     28.83531 
    28.69962     27.83398     22.92948     21.62555     20.20332     16.82476 
    13.77642     12.26464      9.84504      9.25812      7.35955      4.41657 
overlap for current and previous eigenvector    109 is         0.9999995401
overlap for current and previous eigenvector    110 is         0.9999994196
overlap for current and previous eigenvector    111 is        -0.9999809687
overlap for current and previous eigenvector    112 is         0.9999758674
overlap for current and previous eigenvector    113 is        -0.9999946900
overlap for current and previous eigenvector    114 is        -0.9999996940
J1,K1,R1,R2,RAT=   7   7   -0.9433159855E-02     2.009263952        0.9905668401    
FOB,PFOB,DIAG,PSTEP=   -0.3094295430E-05   -0.3065376794E-05     730.9187218        0.4194223063E-08
J1,K1,R1,R2,RAT=   8   8    0.1092839873E-03     1.999860921        0.9998609206    
FOB,PFOB,DIAG,PSTEP=   -0.3939046108E-05   -0.3939476636E-05     673.2067393        0.5851895259E-08
J1,K1,R1,R2,RAT=   9   9    0.7555260788E-01     1.924406845        0.9244068454    
FOB,PFOB,DIAG,PSTEP=    0.2239377252E-06    0.2422399567E-06     626.4678786       -0.3866836211E-09
J1,K1,R1,R2,RAT=  10  10   -0.1347848111E-01     2.013493080        0.9865215189    
FOB,PFOB,DIAG,PSTEP=    0.1836398172E-05    0.1811975670E-05     604.4004934       -0.2997949974E-08
J1,K1,R1,R2,RAT=  11  11    0.1020984369E-02     1.999010542        0.9989790156    
FOB,PFOB,DIAG,PSTEP=   -0.1264831277E-05   -0.1266123949E-05     588.6536063        0.2150847252E-08
J1,K1,R1,R2,RAT= 109 109   -0.2634726497E-02     2.002597824        0.9973652735    
FOB,PFOB,DIAG,PSTEP=    0.7630681310E-04    0.7610629014E-04     13.77641964       -0.5524490136E-05
J1,K1,R1,R2,RAT= 110 110   -0.4717323686         59.83121554        0.5282676314    
FOB,PFOB,DIAG,PSTEP=    0.3697969038E-02    0.3640112772E-02     12.26463769       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     93.08855148        0.1916639739        0.8083360261    
FOB,PFOB,DIAG,PSTEP=   -0.4572867309E-02    0.4591736701E-02     9.845038798       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6981184725         73.73477239        0.3018815275    
FOB,PFOB,DIAG,PSTEP=   -0.3755643691E-02   -0.3685194076E-02     9.258124010        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     364.2637017       -0.8460177455        0.1539822545    
FOB,PFOB,DIAG,PSTEP=   -0.1773538176E-01    0.1765319032E-01     7.359545306       -0.1320067562E-04
J1,K1,R1,R2,RAT= 114 114    -659.6505322        0.9957103082        0.4289691757E-02
FOB,PFOB,DIAG,PSTEP=   -0.5835577375        0.5817986888         4.416567446        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001     -0.00002      0.00000      0.00002 
     0.00002      0.00003     -0.00002     -0.00002      0.00001     -0.00003 
    -0.00001     -0.00001      0.00000      0.00002     -0.00000     -0.00005 
    -0.00002     -0.00003     -0.00006      0.00002     -0.00006     -0.00000 
     0.00001      0.00002      0.00002     -0.00000      0.00001      0.00003 
     0.00004      0.00001      0.00004      0.00000     -0.00005     -0.00003 
    -0.00000     -0.00006      0.00003     -0.00004     -0.00003     -0.00001 
     0.00004      0.00004      0.00011      0.00011      0.00001     -0.00009 
    -0.00000      0.00007     -0.00005      0.00001     -0.00012     -0.00002 
     0.00008      0.00370     -0.00457     -0.00376     -0.01774     -0.58356 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4312743099
 Log product of positive Hessian eigenvalues =          519.9626388949
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4165674455
 Unscaled step for mode    7=        0.0000000042
 Unscaled step for mode    8=        0.0000000059
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000021
 Unscaled step for mode   12=        0.0000000009
 Unscaled step for mode   13=        0.0000000058
 Unscaled step for mode   14=        0.0000000065
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000110
 Unscaled step for mode   17=       -0.0000000090
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000344
 Unscaled step for mode   20=       -0.0000000204
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000144
 Unscaled step for mode   23=        0.0000000001
 Unscaled step for mode   24=        0.0000000015
 Unscaled step for mode   25=        0.0000000508
 Unscaled step for mode   26=        0.0000000880
 Unscaled step for mode   27=        0.0000000458
 Unscaled step for mode   28=       -0.0000000298
 Unscaled step for mode   29=       -0.0000000147
 Unscaled step for mode   30=        0.0000000757
 Unscaled step for mode   31=        0.0000000367
 Unscaled step for mode   32=        0.0000000170
 Unscaled step for mode   33=       -0.0000000367
 Unscaled step for mode   34=       -0.0000000291
 Unscaled step for mode   35=       -0.0000000869
 Unscaled step for mode   36=       -0.0000000533
 Unscaled step for mode   37=        0.0000000598
 Unscaled step for mode   38=        0.0000000099
 Unscaled step for mode   39=        0.0000000729
 Unscaled step for mode   40=        0.0000000076
 Unscaled step for mode   41=        0.0000001391
 Unscaled step for mode   42=        0.0000000409
 Unscaled step for mode   43=       -0.0000000486
 Unscaled step for mode   44=        0.0000000920
 Unscaled step for mode   45=       -0.0000000057
 Unscaled step for mode   46=       -0.0000000944
 Unscaled step for mode   47=        0.0000001414
 Unscaled step for mode   48=       -0.0000000174
 Unscaled step for mode   49=        0.0000001083
 Unscaled step for mode   50=        0.0000000483
 Unscaled step for mode   51=        0.0000000751
 Unscaled step for mode   52=       -0.0000000116
 Unscaled step for mode   53=        0.0000000653
 Unscaled step for mode   54=        0.0000000818
 Unscaled step for mode   55=        0.0000001166
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000500
 Unscaled step for mode   58=        0.0000001421
 Unscaled step for mode   59=       -0.0000000099
 Unscaled step for mode   60=       -0.0000001385
 Unscaled step for mode   61=       -0.0000001585
 Unscaled step for mode   62=       -0.0000002282
 Unscaled step for mode   63=        0.0000001723
 Unscaled step for mode   64=        0.0000001533
 Unscaled step for mode   65=       -0.0000000664
 Unscaled step for mode   66=        0.0000002008
 Unscaled step for mode   67=        0.0000000423
 Unscaled step for mode   68=        0.0000000729
 Unscaled step for mode   69=       -0.0000000385
 Unscaled step for mode   70=       -0.0000002009
 Unscaled step for mode   71=        0.0000000417
 Unscaled step for mode   72=        0.0000004625
 Unscaled step for mode   73=        0.0000002344
 Unscaled step for mode   74=        0.0000002974
 Unscaled step for mode   75=        0.0000006005
 Unscaled step for mode   76=       -0.0000002427
 Unscaled step for mode   77=        0.0000006694
 Unscaled step for mode   78=        0.0000000082
 Unscaled step for mode   79=       -0.0000001585
 Unscaled step for mode   80=       -0.0000002372
 Unscaled step for mode   81=       -0.0000002428
 Unscaled step for mode   82=        0.0000000465
 Unscaled step for mode   83=       -0.0000001895
 Unscaled step for mode   84=       -0.0000004632
 Unscaled step for mode   85=       -0.0000005883
 Unscaled step for mode   86=       -0.0000000932
 Unscaled step for mode   87=       -0.0000006053
 Unscaled step for mode   88=       -0.0000000361
 Unscaled step for mode   89=        0.0000008411
 Unscaled step for mode   90=        0.0000004490
 Unscaled step for mode   91=        0.0000000167
 Unscaled step for mode   92=        0.0000010510
 Unscaled step for mode   93=       -0.0000006487
 Unscaled step for mode   94=        0.0000007982
 Unscaled step for mode   95=        0.0000005582
 Unscaled step for mode   96=        0.0000002083
 Unscaled step for mode   97=       -0.0000009035
 Unscaled step for mode   98=       -0.0000008977
 Unscaled step for mode   99=       -0.0000030285
 Unscaled step for mode  100=       -0.0000030295
 Unscaled step for mode  101=       -0.0000003333
 Unscaled step for mode  102=        0.0000032440
 Unscaled step for mode  103=        0.0000000015
 Unscaled step for mode  104=       -0.0000025273
 Unscaled step for mode  105=        0.0000022169
 Unscaled step for mode  106=       -0.0000004170
 Unscaled step for mode  107=        0.0000059350
 Unscaled step for mode  108=        0.0000010778
 Unscaled step for mode  109=       -0.0000055389
 Unscaled step for mode  110=       -0.0003015147
 Unscaled step for mode  111=        0.0004644843
 Unscaled step for mode  112=        0.0004056592
 Unscaled step for mode  113=        0.0024098335
 Unscaled step for mode  114=       -0.1298997083
 Largest modulus ratio of non-zero e/values=           165.4947492    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.653123E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.533970E-15    0.100722E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.254354E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.517052E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.703430E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.280646E-15    0.973830E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.309430E-05    0.730919E+03  0.423343E-08 0.100000E-04    0.990567E+00
   8   -0.393905E-05    0.673207E+03  0.585117E-08 0.100000E-04    0.999861E+00
   9    0.223938E-06    0.626468E+03 -0.357461E-09 0.100000E-04    0.924407E+00
  10    0.183640E-05    0.604400E+03 -0.303838E-08 0.100000E-04    0.986522E+00
  11   -0.126483E-05    0.588654E+03  0.214869E-08 0.100000E-04    0.998979E+00
  12   -0.530706E-06    0.569747E+03  0.931477E-09 0.100000E-04    0.937848E+00
  13   -0.329235E-05    0.566615E+03  0.581056E-08 0.100000E-04    0.994273E+00
  14   -0.311667E-05    0.481936E+03  0.646697E-08 0.100000E-04    0.992351E+00
  15    0.177585E-05    0.465975E+03 -0.381103E-08 0.100000E-04    0.987573E+00
  16    0.507838E-05    0.461587E+03 -0.110020E-07 0.100000E-04    0.993591E+00
  17    0.395977E-05    0.441350E+03 -0.897194E-08 0.100000E-04    0.993833E+00
  18    0.486407E-05    0.429986E+03 -0.113121E-07 0.100000E-04    0.997017E+00
  19   -0.145077E-04    0.421648E+03  0.344071E-07 0.100000E-04    0.996423E+00
  20    0.830765E-05    0.407632E+03 -0.203803E-07 0.100000E-04    0.998974E+00
  21    0.729789E-05    0.397593E+03 -0.183552E-07 0.100000E-04    0.999300E+00
  22   -0.559915E-05    0.388849E+03  0.143993E-07 0.100000E-04    0.989371E+00
  23   -0.254512E-07    0.367636E+03  0.692294E-10 0.100000E-04    0.786477E+00
  24   -0.542833E-06    0.362104E+03  0.149911E-08 0.100000E-04    0.920279E+00
  25   -0.178244E-04    0.351134E+03  0.507624E-07 0.100000E-04    0.997606E+00
  26   -0.296589E-04    0.337061E+03  0.879927E-07 0.100000E-04    0.996740E+00
  27   -0.149165E-04    0.325471E+03  0.458305E-07 0.100000E-04    0.997978E+00
  28    0.959549E-05    0.321518E+03 -0.298444E-07 0.100000E-04    0.987352E+00
  29    0.470166E-05    0.319959E+03 -0.146946E-07 0.100000E-04    0.976430E+00
  30   -0.237478E-04    0.313696E+03  0.757033E-07 0.100000E-04    0.999424E+00
  31   -0.111745E-04    0.304381E+03  0.367122E-07 0.100000E-04    0.995436E+00
  32   -0.489385E-05    0.288247E+03  0.169780E-07 0.100000E-04    0.988880E+00
  33    0.102482E-04    0.278996E+03 -0.367324E-07 0.100000E-04    0.993128E+00
  34    0.788263E-05    0.270712E+03 -0.291181E-07 0.100000E-04    0.990134E+00
  35    0.231669E-04    0.266530E+03 -0.869204E-07 0.100000E-04    0.999795E+00
  36    0.140654E-04    0.263903E+03 -0.532976E-07 0.100000E-04    0.993436E+00
  37   -0.155024E-04    0.259066E+03  0.598394E-07 0.100000E-04    0.996035E+00
  38   -0.252215E-05    0.253832E+03  0.993629E-08 0.100000E-04    0.984126E+00
  39   -0.176728E-04    0.242442E+03  0.728949E-07 0.100000E-04    0.997163E+00
  40   -0.181199E-05    0.237853E+03  0.761810E-08 0.100000E-04    0.836439E+00
  41   -0.327571E-04    0.235522E+03  0.139083E-06 0.100000E-04    0.995007E+00
  42   -0.934205E-05    0.228635E+03  0.408601E-07 0.100000E-04    0.993693E+00
  43    0.107393E-04    0.221007E+03 -0.485923E-07 0.100000E-04    0.995250E+00
  44   -0.196316E-04    0.213450E+03  0.919726E-07 0.100000E-04    0.995073E+00
  45    0.120058E-05    0.212070E+03 -0.566121E-08 0.100000E-04    0.961873E+00
  46    0.196098E-04    0.207647E+03 -0.944384E-07 0.100000E-04    0.995386E+00
  47   -0.287619E-04    0.203471E+03  0.141356E-06 0.100000E-04    0.999055E+00
  48    0.343110E-05    0.197751E+03 -0.173506E-07 0.100000E-04    0.992373E+00
  49   -0.211593E-04    0.195395E+03  0.108290E-06 0.100000E-04    0.997913E+00
  50   -0.924713E-05    0.191572E+03  0.482698E-07 0.100000E-04    0.990808E+00
  51   -0.138675E-04    0.184692E+03  0.750842E-07 0.100000E-04    0.999201E+00
  52    0.203691E-05    0.175558E+03 -0.116025E-07 0.100000E-04    0.994304E+00
  53   -0.112071E-04    0.171606E+03  0.653070E-07 0.100000E-04    0.997426E+00
  54   -0.137135E-04    0.167569E+03  0.818382E-07 0.100000E-04    0.996426E+00
  55   -0.192669E-04    0.165285E+03  0.116567E-06 0.100000E-04    0.998803E+00
  56   -0.595036E-05    0.159408E+03  0.373279E-07 0.100000E-04    0.991344E+00
  57   -0.768457E-05    0.153766E+03  0.499758E-07 0.100000E-04    0.994881E+00
  58   -0.214712E-04    0.151131E+03  0.142070E-06 0.100000E-04    0.996853E+00
  59    0.147235E-05    0.148944E+03 -0.988524E-08 0.100000E-04    0.931698E+00
  60    0.198232E-04    0.143171E+03 -0.138458E-06 0.100000E-04    0.999346E+00
  61    0.217197E-04    0.137028E+03 -0.158506E-06 0.100000E-04    0.992058E+00
  62    0.309658E-04    0.135669E+03 -0.228245E-06 0.100000E-04    0.999079E+00
  63   -0.225212E-04    0.130737E+03  0.172264E-06 0.100000E-04    0.996178E+00
  64   -0.196102E-04    0.127881E+03  0.153347E-06 0.100000E-04    0.993672E+00
  65    0.836725E-05    0.126058E+03 -0.663761E-07 0.100000E-04    0.971406E+00
  66   -0.252126E-04    0.125573E+03  0.200781E-06 0.100000E-04    0.999221E+00
  67   -0.506604E-05    0.119664E+03  0.423356E-07 0.100000E-04    0.996242E+00
  68   -0.860769E-05    0.118031E+03  0.729275E-07 0.100000E-04    0.997519E+00
  69    0.449898E-05    0.116948E+03 -0.384698E-07 0.100000E-04    0.988197E+00
  70    0.223576E-04    0.111281E+03 -0.200912E-06 0.100000E-04    0.998493E+00
  71   -0.451659E-05    0.108262E+03  0.417191E-07 0.100000E-04    0.991769E+00
  72   -0.485127E-04    0.104886E+03  0.462530E-06 0.100000E-04    0.993723E+00
  73   -0.241561E-04    0.103051E+03  0.234409E-06 0.100000E-04    0.996889E+00
  74   -0.296924E-04    0.998450E+02  0.297385E-06 0.100000E-04    0.998175E+00
  75   -0.577652E-04    0.961938E+02  0.600508E-06 0.100000E-04    0.993772E+00
  76    0.230674E-04    0.950506E+02 -0.242685E-06 0.100000E-04    0.987527E+00
  77   -0.618560E-04    0.924059E+02  0.669394E-06 0.100000E-04    0.998817E+00
  78   -0.744676E-06    0.903899E+02  0.823848E-08 0.100000E-04    0.903086E+00
  79    0.142386E-04    0.898208E+02 -0.158522E-06 0.100000E-04    0.996574E+00
  80    0.201331E-04    0.848714E+02 -0.237219E-06 0.100000E-04    0.999929E+00
  81    0.196478E-04    0.809170E+02 -0.242815E-06 0.100000E-04    0.996184E+00
  82   -0.370378E-05    0.797083E+02  0.464667E-07 0.100000E-04    0.979703E+00
  83    0.148458E-04    0.783464E+02 -0.189489E-06 0.100000E-04    0.995281E+00
  84    0.336917E-04    0.727372E+02 -0.463197E-06 0.100000E-04    0.993522E+00
  85    0.423697E-04    0.720232E+02 -0.588278E-06 0.100000E-04    0.996070E+00
  86    0.636307E-05    0.682955E+02 -0.931697E-07 0.100000E-04    0.964174E+00
  87    0.406046E-04    0.670862E+02 -0.605260E-06 0.100000E-04    0.998795E+00
  88    0.228666E-05    0.633124E+02 -0.361171E-07 0.100000E-04    0.967060E+00
  89   -0.509124E-04    0.605320E+02  0.841083E-06 0.100000E-04    0.998316E+00
  90   -0.268065E-04    0.596973E+02  0.449041E-06 0.100000E-04    0.989157E+00
  91   -0.985479E-06    0.590335E+02  0.166935E-07 0.100000E-04    0.915166E+00
  92   -0.588623E-04    0.560066E+02  0.105099E-05 0.100000E-04    0.999674E+00
  93    0.343417E-04    0.529365E+02 -0.648735E-06 0.100000E-04    0.999960E+00
  94   -0.417096E-04    0.522540E+02  0.798209E-06 0.100000E-04    0.994182E+00
  95   -0.279839E-04    0.501305E+02  0.558222E-06 0.100000E-04    0.998214E+00
  96   -0.993727E-05    0.477038E+02  0.208312E-06 0.100000E-04    0.989561E+00
  97    0.388006E-04    0.429436E+02 -0.903523E-06 0.100000E-04    0.994637E+00
  98    0.361651E-04    0.402853E+02 -0.897726E-06 0.100000E-04    0.994819E+00
  99    0.112792E-03    0.372434E+02 -0.302851E-05 0.100000E-04    0.995208E+00
 100    0.109092E-03    0.360100E+02 -0.302949E-05 0.100000E-04    0.997088E+00
 101    0.116995E-04    0.350993E+02 -0.333325E-06 0.100000E-04    0.964818E+00
 102   -0.935430E-04    0.288353E+02  0.324404E-05 0.100000E-04    0.996004E+00
 103   -0.430653E-07    0.286996E+02  0.150055E-08 0.109000E-04    0.843463E-01
 104    0.703461E-04    0.278340E+02 -0.252735E-05 0.100000E-04    0.987892E+00
 105   -0.508323E-04    0.229295E+02  0.221690E-05 0.100000E-04    0.999404E+00
 106    0.901685E-05    0.216255E+02 -0.416954E-06 0.100000E-04    0.899376E+00
 107   -0.119907E-03    0.202033E+02  0.593504E-05 0.100000E-04    0.994547E+00
 108   -0.181331E-04    0.168248E+02  0.107776E-05 0.100000E-04    0.968789E+00
 109    0.763068E-04    0.137764E+02 -0.553894E-05 0.100000E-04    0.997365E+00
 110    0.369797E-02    0.122646E+02 -0.100000E-04 0.100000E-04    0.528268E+00
 111   -0.457287E-02    0.984504E+01  0.100000E-04 0.100000E-04    0.808336E+00
 112   -0.375564E-02    0.925812E+01  0.100000E-04 0.100000E-04    0.301882E+00
 113   -0.177354E-01    0.735955E+01  0.143887E-04 0.143887E-04    0.153982E+00
 114   -0.583558E+00    0.441657E+01 -0.400000E-03 0.400000E-03    0.428969E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1298997083    

 Beginning of optimization cycle  290.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3663560027
 potential> RMS force:                                               0.0548491180   |gradient|=.5856283250    
 Eigenvalues of the Hessian matrix:
   730.98058    673.21659    626.48048    604.39620    588.64418    569.78912 
   566.62379    481.96041    465.95168    461.57957    441.35077    429.97850 
   421.65289    407.64107    397.58766    388.84904    367.64212    362.09440 
   351.12684    337.03582    325.48126    321.51603    319.96898    313.66905 
   304.37109    288.25441    278.99028    270.71218    266.53833    263.91210 
   259.07819    253.83466    242.43743    237.86003    235.51307    228.63300 
   220.98704    213.45797    212.07577    207.63856    203.47381    197.74616 
   195.39279    191.57086    184.68227    175.54559    171.61257    167.56761 
   165.28001    159.39835    153.77031    151.13553    148.93806    143.17354 
   137.02932    135.67316    130.73501    127.88485    126.05850    125.57450 
   119.66557    118.03181    116.95025    111.27411    108.25223    104.88238 
   103.05212     99.84304     96.18551     95.04756     92.41863     90.39055 
    89.82088     84.87418     80.91704     79.71096     78.34498     72.73792 
    72.02762     68.29519     67.07384     63.31054     60.52215     59.69816 
    59.03473     56.00757     52.93250     52.25470     50.12905     47.70047 
    42.94164     40.28773     37.24739     36.01423     35.08801     28.83473 
    28.69864     27.82569     22.93038     21.62028     20.20814     16.82466 
    13.77667     12.26411      9.84570      9.24958      7.35519      4.41234 
overlap for current and previous eigenvector    109 is        -0.9999995396
overlap for current and previous eigenvector    110 is         0.9999994209
overlap for current and previous eigenvector    111 is         0.9999820241
overlap for current and previous eigenvector    112 is         0.9999768470
overlap for current and previous eigenvector    113 is        -0.9999946226
overlap for current and previous eigenvector    114 is        -0.9999996960
J1,K1,R1,R2,RAT=   7   7   -0.7932961705E-02     2.007763721        0.9920670383    
FOB,PFOB,DIAG,PSTEP=   -0.3118844435E-05   -0.3094295430E-05     730.9805776        0.4233432991E-08
J1,K1,R1,R2,RAT=   8   8   -0.9063293944E-02     2.009034016        0.9909367061    
FOB,PFOB,DIAG,PSTEP=   -0.3974747363E-05   -0.3939046108E-05     673.2165946        0.5851168561E-08
J1,K1,R1,R2,RAT=   9   9   -0.1615829045E-01     2.016118047        0.9838417096    
FOB,PFOB,DIAG,PSTEP=    0.2275562488E-06    0.2239377252E-06     626.4804843       -0.3574608257E-09
J1,K1,R1,R2,RAT=  10  10    0.7368132672E-02     1.992646083        0.9926318673    
FOB,PFOB,DIAG,PSTEP=    0.1822867443E-05    0.1836398172E-05     604.3961974       -0.3038379670E-08
J1,K1,R1,R2,RAT=  11  11   -0.8608011252E-02     2.008640023        0.9913919887    
FOB,PFOB,DIAG,PSTEP=   -0.1275718785E-05   -0.1264831277E-05     588.6441845        0.2148685175E-08
J1,K1,R1,R2,RAT= 109 109     1.994705521        0.5257518803E-02    0.9947055210    
FOB,PFOB,DIAG,PSTEP=   -0.7590562118E-04    0.7630681310E-04     13.77667424       -0.5538943722E-05
J1,K1,R1,R2,RAT= 110 110   -0.4699408920         60.77547868        0.5300591080    
FOB,PFOB,DIAG,PSTEP=    0.3755603111E-02    0.3697969038E-02     12.26411097       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2031430549         92.68747978        0.7968569451    
FOB,PFOB,DIAG,PSTEP=   -0.4552866448E-02   -0.4572867309E-02     9.845702761        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8433678725         82.05017689        0.1566321275    
FOB,PFOB,DIAG,PSTEP=   -0.3833651662E-02   -0.3755643691E-02     9.249578296        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     335.8548298       -0.6932246678        0.3067753322    
FOB,PFOB,DIAG,PSTEP=    0.1780874699E-01   -0.1773538176E-01     7.355185291        0.1438873643E-04
J1,K1,R1,R2,RAT= 114 114    -662.2744816        0.9956992976        0.4300702403E-02
FOB,PFOB,DIAG,PSTEP=    0.5853150842       -0.5835577375         4.412342821       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00001      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000      0.00002 
     0.00002      0.00003     -0.00002     -0.00002      0.00001      0.00003 
     0.00001     -0.00001      0.00000     -0.00002      0.00000      0.00005 
     0.00002     -0.00003     -0.00006      0.00002      0.00006      0.00000 
    -0.00001      0.00002     -0.00002      0.00000      0.00001     -0.00003 
    -0.00004     -0.00001      0.00004     -0.00000     -0.00005     -0.00003 
    -0.00000      0.00006     -0.00003      0.00004      0.00003      0.00001 
    -0.00004      0.00004      0.00011     -0.00011     -0.00001      0.00009 
    -0.00000     -0.00007      0.00005      0.00001      0.00012      0.00002 
    -0.00008      0.00376     -0.00455     -0.00383      0.01781      0.58532 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4311600695
 Log product of positive Hessian eigenvalues =          519.9592399553
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4123428209
 Unscaled step for mode    7=        0.0000000043
 Unscaled step for mode    8=        0.0000000059
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000010
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=        0.0000000064
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000110
 Unscaled step for mode   17=       -0.0000000090
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000345
 Unscaled step for mode   20=       -0.0000000203
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000144
 Unscaled step for mode   23=        0.0000000000
 Unscaled step for mode   24=        0.0000000015
 Unscaled step for mode   25=        0.0000000509
 Unscaled step for mode   26=        0.0000000882
 Unscaled step for mode   27=        0.0000000460
 Unscaled step for mode   28=       -0.0000000302
 Unscaled step for mode   29=       -0.0000000149
 Unscaled step for mode   30=        0.0000000759
 Unscaled step for mode   31=        0.0000000370
 Unscaled step for mode   32=        0.0000000170
 Unscaled step for mode   33=       -0.0000000368
 Unscaled step for mode   34=       -0.0000000292
 Unscaled step for mode   35=       -0.0000000870
 Unscaled step for mode   36=       -0.0000000536
 Unscaled step for mode   37=        0.0000000601
 Unscaled step for mode   38=        0.0000000099
 Unscaled step for mode   39=        0.0000000730
 Unscaled step for mode   40=        0.0000000085
 Unscaled step for mode   41=        0.0000001397
 Unscaled step for mode   42=        0.0000000410
 Unscaled step for mode   43=       -0.0000000490
 Unscaled step for mode   44=        0.0000000926
 Unscaled step for mode   45=       -0.0000000053
 Unscaled step for mode   46=       -0.0000000950
 Unscaled step for mode   47=        0.0000001416
 Unscaled step for mode   48=       -0.0000000175
 Unscaled step for mode   49=        0.0000001089
 Unscaled step for mode   50=        0.0000000480
 Unscaled step for mode   51=        0.0000000756
 Unscaled step for mode   52=       -0.0000000118
 Unscaled step for mode   53=        0.0000000656
 Unscaled step for mode   54=        0.0000000825
 Unscaled step for mode   55=        0.0000001167
 Unscaled step for mode   56=        0.0000000370
 Unscaled step for mode   57=        0.0000000504
 Unscaled step for mode   58=       -0.0000001425
 Unscaled step for mode   59=        0.0000000097
 Unscaled step for mode   60=       -0.0000001392
 Unscaled step for mode   61=       -0.0000001592
 Unscaled step for mode   62=       -0.0000002280
 Unscaled step for mode   63=        0.0000001721
 Unscaled step for mode   64=        0.0000001546
 Unscaled step for mode   65=       -0.0000000682
 Unscaled step for mode   66=       -0.0000002001
 Unscaled step for mode   67=       -0.0000000428
 Unscaled step for mode   68=        0.0000000731
 Unscaled step for mode   69=       -0.0000000386
 Unscaled step for mode   70=        0.0000002020
 Unscaled step for mode   71=       -0.0000000419
 Unscaled step for mode   72=       -0.0000004638
 Unscaled step for mode   73=       -0.0000002354
 Unscaled step for mode   74=        0.0000002967
 Unscaled step for mode   75=        0.0000006047
 Unscaled step for mode   76=       -0.0000002402
 Unscaled step for mode   77=       -0.0000006697
 Unscaled step for mode   78=       -0.0000000074
 Unscaled step for mode   79=        0.0000001558
 Unscaled step for mode   80=       -0.0000002383
 Unscaled step for mode   81=        0.0000002432
 Unscaled step for mode   82=       -0.0000000442
 Unscaled step for mode   83=       -0.0000001911
 Unscaled step for mode   84=        0.0000004643
 Unscaled step for mode   85=        0.0000005881
 Unscaled step for mode   86=        0.0000000891
 Unscaled step for mode   87=       -0.0000006073
 Unscaled step for mode   88=        0.0000000366
 Unscaled step for mode   89=        0.0000008433
 Unscaled step for mode   90=        0.0000004498
 Unscaled step for mode   91=        0.0000000177
 Unscaled step for mode   92=       -0.0000010543
 Unscaled step for mode   93=        0.0000006449
 Unscaled step for mode   94=       -0.0000007990
 Unscaled step for mode   95=       -0.0000005534
 Unscaled step for mode   96=       -0.0000002083
 Unscaled step for mode   97=        0.0000009038
 Unscaled step for mode   98=       -0.0000009016
 Unscaled step for mode   99=       -0.0000030321
 Unscaled step for mode  100=        0.0000030257
 Unscaled step for mode  101=        0.0000003369
 Unscaled step for mode  102=       -0.0000032450
 Unscaled step for mode  103=        0.0000000164
 Unscaled step for mode  104=        0.0000025240
 Unscaled step for mode  105=       -0.0000022303
 Unscaled step for mode  106=       -0.0000003955
 Unscaled step for mode  107=       -0.0000059495
 Unscaled step for mode  108=       -0.0000010567
 Unscaled step for mode  109=        0.0000055097
 Unscaled step for mode  110=       -0.0003062271
 Unscaled step for mode  111=        0.0004624216
 Unscaled step for mode  112=        0.0004144677
 Unscaled step for mode  113=       -0.0024212364
 Unscaled step for mode  114=        0.1303984204
 Largest modulus ratio of non-zero e/values=           165.6672220    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.973614E-16    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.842100E-15    0.100722E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.250717E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.136126E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.612357E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.603142E-15    0.973832E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.311884E-05    0.730981E+03  0.426666E-08 0.100000E-04    0.992067E+00
   8   -0.397475E-05    0.673217E+03  0.590411E-08 0.100000E-04    0.990937E+00
   9    0.227556E-06    0.626480E+03 -0.363230E-09 0.100000E-04    0.983842E+00
  10    0.182287E-05    0.604396E+03 -0.301601E-08 0.100000E-04    0.992632E+00
  11   -0.127572E-05    0.588644E+03  0.216722E-08 0.100000E-04    0.991392E+00
  12   -0.569932E-06    0.569789E+03  0.100025E-08 0.100000E-04    0.926091E+00
  13   -0.332426E-05    0.566624E+03  0.586678E-08 0.100000E-04    0.990310E+00
  14   -0.307603E-05    0.481960E+03  0.638233E-08 0.100000E-04    0.986861E+00
  15    0.179790E-05    0.465952E+03 -0.385855E-08 0.100000E-04    0.987581E+00
  16    0.509428E-05    0.461580E+03 -0.110366E-07 0.100000E-04    0.996867E+00
  17    0.396703E-05    0.441351E+03 -0.898838E-08 0.100000E-04    0.998167E+00
  18    0.489058E-05    0.429979E+03 -0.113740E-07 0.100000E-04    0.994549E+00
  19   -0.145436E-04    0.421653E+03  0.344918E-07 0.100000E-04    0.997527E+00
  20    0.829231E-05    0.407641E+03 -0.203422E-07 0.100000E-04    0.998110E+00
  21    0.729554E-05    0.397588E+03 -0.183495E-07 0.100000E-04    0.999677E+00
  22   -0.561864E-05    0.388849E+03  0.144494E-07 0.100000E-04    0.996519E+00
  23   -0.134407E-07    0.367642E+03  0.365593E-10 0.100000E-04    0.528073E+00
  24   -0.552833E-06    0.362094E+03  0.152676E-08 0.100000E-04    0.981579E+00
  25   -0.178863E-04    0.351127E+03  0.509398E-07 0.100000E-04    0.996527E+00
  26   -0.297240E-04    0.337036E+03  0.881924E-07 0.100000E-04    0.997803E+00
  27   -0.149712E-04    0.325481E+03  0.459972E-07 0.100000E-04    0.996330E+00
  28    0.970718E-05    0.321516E+03 -0.301919E-07 0.100000E-04    0.988360E+00
  29    0.476195E-05    0.319969E+03 -0.148825E-07 0.100000E-04    0.987178E+00
  30   -0.238009E-04    0.313669E+03  0.758791E-07 0.100000E-04    0.997764E+00
  31   -0.112705E-04    0.304371E+03  0.370289E-07 0.100000E-04    0.991403E+00
  32   -0.490016E-05    0.288254E+03  0.169994E-07 0.100000E-04    0.998710E+00
  33    0.102553E-04    0.278990E+03 -0.367585E-07 0.100000E-04    0.999309E+00
  34    0.791681E-05    0.270712E+03 -0.292444E-07 0.100000E-04    0.995663E+00
  35    0.232014E-04    0.266538E+03 -0.870470E-07 0.100000E-04    0.998511E+00
  36    0.141381E-04    0.263912E+03 -0.535711E-07 0.100000E-04    0.994835E+00
  37   -0.155663E-04    0.259078E+03  0.600833E-07 0.100000E-04    0.995879E+00
  38   -0.250268E-05    0.253835E+03  0.985948E-08 0.100000E-04    0.992261E+00
  39   -0.177011E-04    0.242437E+03  0.730129E-07 0.100000E-04    0.998401E+00
  40   -0.202173E-05    0.237860E+03  0.849967E-08 0.100000E-04    0.884250E+00
  41   -0.328952E-04    0.235513E+03  0.139675E-06 0.100000E-04    0.995785E+00
  42   -0.938202E-05    0.228633E+03  0.410353E-07 0.100000E-04    0.995722E+00
  43    0.108318E-04    0.220987E+03 -0.490154E-07 0.100000E-04    0.991385E+00
  44   -0.197585E-04    0.213458E+03  0.925641E-07 0.100000E-04    0.993532E+00
  45    0.113133E-05    0.212076E+03 -0.533457E-08 0.100000E-04    0.942276E+00
  46    0.197193E-04    0.207639E+03 -0.949695E-07 0.100000E-04    0.994417E+00
  47   -0.288129E-04    0.203474E+03  0.141605E-06 0.100000E-04    0.998227E+00
  48    0.346975E-05    0.197746E+03 -0.175465E-07 0.100000E-04    0.988737E+00
  49   -0.212708E-04    0.195393E+03  0.108862E-06 0.100000E-04    0.994732E+00
  50   -0.919884E-05    0.191571E+03  0.480180E-07 0.100000E-04    0.994778E+00
  51   -0.139556E-04    0.184682E+03  0.755654E-07 0.100000E-04    0.993646E+00
  52    0.207611E-05    0.175546E+03 -0.118266E-07 0.100000E-04    0.980754E+00
  53   -0.112564E-04    0.171613E+03  0.655921E-07 0.100000E-04    0.995599E+00
  54   -0.138287E-04    0.167568E+03  0.825264E-07 0.100000E-04    0.991599E+00
  55   -0.192907E-04    0.165280E+03  0.116715E-06 0.100000E-04    0.998764E+00
  56   -0.589930E-05    0.159398E+03  0.370098E-07 0.100000E-04    0.991419E+00
  57   -0.775726E-05    0.153770E+03  0.504471E-07 0.100000E-04    0.990541E+00
  58    0.215324E-04    0.151136E+03 -0.142471E-06 0.100000E-04    0.997151E+00
  59   -0.144825E-05    0.148938E+03  0.972387E-08 0.100000E-04    0.983637E+00
  60    0.199253E-04    0.143174E+03 -0.139169E-06 0.100000E-04    0.994847E+00
  61    0.218144E-04    0.137029E+03 -0.159195E-06 0.100000E-04    0.995639E+00
  62    0.309309E-04    0.135673E+03 -0.227981E-06 0.100000E-04    0.998811E+00
  63   -0.224959E-04    0.130735E+03  0.172073E-06 0.100000E-04    0.998877E+00
  64   -0.197747E-04    0.127885E+03  0.154629E-06 0.100000E-04    0.991612E+00
  65    0.859250E-05    0.126058E+03 -0.681628E-07 0.100000E-04    0.973080E+00
  66    0.251303E-04    0.125574E+03 -0.200122E-06 0.100000E-04    0.996705E+00
  67    0.512011E-05    0.119666E+03 -0.427868E-07 0.100000E-04    0.989326E+00
  68   -0.862321E-05    0.118032E+03  0.730584E-07 0.100000E-04    0.998197E+00
  69    0.450942E-05    0.116950E+03 -0.385584E-07 0.100000E-04    0.997679E+00
  70   -0.224810E-04    0.111274E+03  0.202033E-06 0.100000E-04    0.994479E+00
  71    0.453116E-05    0.108252E+03 -0.418575E-07 0.100000E-04    0.996774E+00
  72    0.486416E-04    0.104882E+03 -0.463773E-06 0.100000E-04    0.997342E+00
  73    0.242621E-04    0.103052E+03 -0.235435E-06 0.100000E-04    0.995610E+00
  74   -0.296275E-04    0.998430E+02  0.296741E-06 0.100000E-04    0.997813E+00
  75   -0.581586E-04    0.961855E+02  0.604651E-06 0.100000E-04    0.993188E+00
  76    0.228349E-04    0.950476E+02 -0.240247E-06 0.100000E-04    0.989922E+00
  77    0.618907E-04    0.924186E+02 -0.669678E-06 0.100000E-04    0.999438E+00
  78    0.670267E-06    0.903906E+02 -0.741523E-08 0.100000E-04    0.900065E+00
  79   -0.139946E-04    0.898209E+02  0.155806E-06 0.100000E-04    0.982862E+00
  80    0.202294E-04    0.848742E+02 -0.238346E-06 0.100000E-04    0.995216E+00
  81   -0.196788E-04    0.809170E+02  0.243197E-06 0.100000E-04    0.998426E+00
  82    0.352632E-05    0.797110E+02 -0.442389E-07 0.100000E-04    0.952022E+00
  83    0.149706E-04    0.783450E+02 -0.191085E-06 0.100000E-04    0.991593E+00
  84   -0.337697E-04    0.727379E+02  0.464265E-06 0.100000E-04    0.997684E+00
  85   -0.423608E-04    0.720276E+02  0.588119E-06 0.100000E-04    0.999667E+00
  86   -0.608304E-05    0.682952E+02  0.890698E-07 0.100000E-04    0.955991E+00
  87    0.407360E-04    0.670738E+02 -0.607331E-06 0.100000E-04    0.996763E+00
  88   -0.231908E-05    0.633105E+02  0.366302E-07 0.100000E-04    0.985824E+00
  89   -0.510387E-04    0.605222E+02  0.843306E-06 0.100000E-04    0.997519E+00
  90   -0.268547E-04    0.596982E+02  0.449842E-06 0.100000E-04    0.998200E+00
  91   -0.104441E-05    0.590347E+02  0.176914E-07 0.100000E-04    0.940204E+00
  92    0.590473E-04    0.560076E+02 -0.105427E-05 0.100000E-04    0.996857E+00
  93   -0.341366E-04    0.529325E+02  0.644908E-06 0.100000E-04    0.994026E+00
  94    0.417502E-04    0.522547E+02 -0.798975E-06 0.100000E-04    0.999027E+00
  95    0.277416E-04    0.501291E+02 -0.553404E-06 0.100000E-04    0.991340E+00
  96    0.993797E-05    0.477005E+02 -0.208341E-06 0.100000E-04    0.999930E+00
  97   -0.388092E-04    0.429416E+02  0.903766E-06 0.100000E-04    0.999777E+00
  98    0.363218E-04    0.402877E+02 -0.901560E-06 0.100000E-04    0.995669E+00
  99    0.112938E-03    0.372474E+02 -0.303211E-05 0.100000E-04    0.998700E+00
 100   -0.108968E-03    0.360142E+02  0.302570E-05 0.100000E-04    0.998631E+00
 101   -0.118228E-04    0.350880E+02  0.336948E-06 0.100000E-04    0.989451E+00
 102    0.935694E-04    0.288347E+02 -0.324502E-05 0.100000E-04    0.999717E+00
 103   -0.470037E-06    0.286986E+02  0.163784E-07 0.100000E-04    0.891485E+01
 104   -0.702327E-04    0.278257E+02  0.252402E-05 0.100000E-04    0.998387E+00
 105    0.511424E-04    0.229304E+02 -0.223033E-05 0.100000E-04    0.993900E+00
 106    0.854998E-05    0.216203E+02 -0.395461E-06 0.100000E-04    0.948210E+00
 107    0.120227E-03    0.202081E+02 -0.594946E-05 0.100000E-04    0.997332E+00
 108    0.177785E-04    0.168247E+02 -0.105669E-05 0.100000E-04    0.980444E+00
 109   -0.759056E-04    0.137767E+02  0.550972E-05 0.100000E-04    0.994706E+00
 110    0.375560E-02    0.122641E+02 -0.100000E-04 0.100000E-04    0.530059E+00
 111   -0.455287E-02    0.984570E+01  0.100000E-04 0.100000E-04    0.796857E+00
 112   -0.383365E-02    0.924958E+01  0.109000E-04 0.109000E-04    0.156632E+00
 113    0.178087E-01    0.735519E+01 -0.129628E-04 0.129628E-04    0.306775E+00
 114    0.585315E+00    0.441234E+01  0.400000E-03 0.400000E-03    0.430070E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1303984204    

 Beginning of optimization cycle  291.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3661218787
 potential> RMS force:                                               0.0550137611   |gradient|=.5873862323    
 Eigenvalues of the Hessian matrix:
   731.04245    673.22658    626.49314    604.39159    588.63488    569.83155 
   566.63279    481.98458    465.92836    461.57205    441.35145    429.97047 
   421.65792    407.64981    397.58267    388.84901    367.64820    362.08530 
   351.11933    337.01115    325.49158    321.51435    319.97838    313.64184 
   304.36151    288.26226    278.98490    270.71189    266.54681    263.92080 
   259.08996    253.83698    242.43278    237.86736    235.50401    228.63062 
   220.96661    213.46570    212.08109    207.63010    203.47630    197.74080 
   195.39012    191.57001    184.67201    175.53347    171.61866    167.56634 
   165.27464    159.38899    153.77479    151.13988    148.93213    143.17604 
   137.03087    135.67735    130.73332    127.88868    126.05878    125.57619 
   119.66747    118.03278    116.95222    111.26774    108.24247    104.87926 
   103.05329     99.84113     96.17727     95.04445     92.43130     90.39128 
    89.82083     84.87697     80.91707     79.71357     78.34361     72.73865 
    72.03211     68.29500     67.06149     63.30868     60.51239     59.69906 
    59.03598     56.00852     52.92858     52.25546     50.12765     47.69714 
    42.93970     40.29019     37.25148     36.01859     35.07678     28.83417 
    28.69766     27.81743     22.93128     21.61498     20.21302     16.82457 
    13.77694     12.26359      9.84640      9.24109      7.35079      4.40810 
overlap for current and previous eigenvector    109 is        -0.9999995467
overlap for current and previous eigenvector    110 is         0.9999994251
overlap for current and previous eigenvector    111 is        -0.9999833945
overlap for current and previous eigenvector    112 is        -0.9999781943
overlap for current and previous eigenvector    113 is        -0.9999946065
overlap for current and previous eigenvector    114 is        -0.9999996964
J1,K1,R1,R2,RAT=   7   7   -0.9342511805E-02     2.009173244        0.9906574882    
FOB,PFOB,DIAG,PSTEP=   -0.3147984742E-05   -0.3118844435E-05     731.0424486        0.4266658418E-08
J1,K1,R1,R2,RAT=   8   8    0.4986958635E-04     1.999920469        0.9999204693    
FOB,PFOB,DIAG,PSTEP=   -0.3974549142E-05   -0.3974747363E-05     673.2265790        0.5904113765E-08
J1,K1,R1,R2,RAT=   9   9    0.8052601204E-01     1.919433589        0.9194335891    
FOB,PFOB,DIAG,PSTEP=    0.2092316814E-06    0.2275562488E-06     626.4931391       -0.3632295889E-09
J1,K1,R1,R2,RAT=  10  10   -0.1339492044E-01     2.013410162        0.9866050796    
FOB,PFOB,DIAG,PSTEP=    0.1847284421E-05    0.1822867443E-05     604.3915915       -0.3016014082E-08
J1,K1,R1,R2,RAT=  11  11    0.9557650544E-03     1.999075844        0.9990442349    
FOB,PFOB,DIAG,PSTEP=   -0.1274499517E-05   -0.1275718785E-05     588.6348814        0.2167215473E-08
J1,K1,R1,R2,RAT= 109 109     2.002597303       -0.2635404472E-02    0.9973645955    
FOB,PFOB,DIAG,PSTEP=    0.7610566701E-04   -0.7590562118E-04     13.77693670        0.5509720261E-05
J1,K1,R1,R2,RAT= 110 110   -0.4786364847         61.72667797        0.5213635153    
FOB,PFOB,DIAG,PSTEP=    0.3814301107E-02    0.3755603111E-02     12.26358597       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     92.27642725        0.2013249982        0.7986750018    
FOB,PFOB,DIAG,PSTEP=    0.4533043175E-02   -0.4552866448E-02     9.846403782        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     76.80536641       -0.6863478620        0.3136521380    
FOB,PFOB,DIAG,PSTEP=    0.3902785991E-02   -0.3833651662E-02     9.241085038        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     374.6744105       -0.8827272564        0.1172727436    
FOB,PFOB,DIAG,PSTEP=   -0.1789285944E-01    0.1780874699E-01     7.350790524       -0.1296282561E-04
J1,K1,R1,R2,RAT= 114 114    -664.9041207        0.9956707749        0.4329225053E-02
FOB,PFOB,DIAG,PSTEP=   -0.5870706911        0.5853150842         4.408100878        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001     -0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002     -0.00001     -0.00001     -0.00002      0.00000      0.00002 
     0.00002      0.00003     -0.00002     -0.00002      0.00001      0.00003 
     0.00001      0.00001     -0.00000     -0.00002      0.00000      0.00005 
     0.00002      0.00003     -0.00006      0.00002      0.00006      0.00000 
    -0.00001      0.00002      0.00002      0.00000     -0.00001     -0.00003 
     0.00004      0.00001      0.00004     -0.00000     -0.00005     -0.00003 
    -0.00000     -0.00006     -0.00003     -0.00004      0.00003      0.00001 
     0.00004      0.00004      0.00011      0.00011      0.00001     -0.00009 
     0.00000      0.00007     -0.00005      0.00001     -0.00012     -0.00002 
     0.00008      0.00381      0.00453      0.00390     -0.01789     -0.58707 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4310400822
 Log product of positive Hessian eigenvalues =          519.9558505496
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4081008778
 Unscaled step for mode    7=        0.0000000043
 Unscaled step for mode    8=        0.0000000059
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000011
 Unscaled step for mode   13=        0.0000000058
 Unscaled step for mode   14=        0.0000000063
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000111
 Unscaled step for mode   17=       -0.0000000090
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000346
 Unscaled step for mode   20=       -0.0000000203
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000146
 Unscaled step for mode   23=        0.0000000000
 Unscaled step for mode   24=        0.0000000016
 Unscaled step for mode   25=        0.0000000511
 Unscaled step for mode   26=        0.0000000885
 Unscaled step for mode   27=        0.0000000461
 Unscaled step for mode   28=       -0.0000000306
 Unscaled step for mode   29=       -0.0000000152
 Unscaled step for mode   30=        0.0000000759
 Unscaled step for mode   31=        0.0000000372
 Unscaled step for mode   32=        0.0000000172
 Unscaled step for mode   33=       -0.0000000370
 Unscaled step for mode   34=       -0.0000000295
 Unscaled step for mode   35=       -0.0000000871
 Unscaled step for mode   36=       -0.0000000539
 Unscaled step for mode   37=        0.0000000603
 Unscaled step for mode   38=        0.0000000097
 Unscaled step for mode   39=        0.0000000732
 Unscaled step for mode   40=        0.0000000096
 Unscaled step for mode   41=        0.0000001404
 Unscaled step for mode   42=        0.0000000413
 Unscaled step for mode   43=       -0.0000000493
 Unscaled step for mode   44=        0.0000000930
 Unscaled step for mode   45=       -0.0000000055
 Unscaled step for mode   46=       -0.0000000954
 Unscaled step for mode   47=        0.0000001417
 Unscaled step for mode   48=       -0.0000000177
 Unscaled step for mode   49=        0.0000001091
 Unscaled step for mode   50=        0.0000000485
 Unscaled step for mode   51=        0.0000000756
 Unscaled step for mode   52=       -0.0000000119
 Unscaled step for mode   53=        0.0000000658
 Unscaled step for mode   54=        0.0000000828
 Unscaled step for mode   55=        0.0000001169
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000507
 Unscaled step for mode   58=        0.0000001429
 Unscaled step for mode   59=       -0.0000000090
 Unscaled step for mode   60=       -0.0000001393
 Unscaled step for mode   61=       -0.0000001604
 Unscaled step for mode   62=       -0.0000002282
 Unscaled step for mode   63=        0.0000001727
 Unscaled step for mode   64=        0.0000001556
 Unscaled step for mode   65=       -0.0000000700
 Unscaled step for mode   66=       -0.0000002002
 Unscaled step for mode   67=       -0.0000000430
 Unscaled step for mode   68=       -0.0000000732
 Unscaled step for mode   69=        0.0000000390
 Unscaled step for mode   70=        0.0000002023
 Unscaled step for mode   71=       -0.0000000422
 Unscaled step for mode   72=       -0.0000004667
 Unscaled step for mode   73=       -0.0000002362
 Unscaled step for mode   74=       -0.0000002973
 Unscaled step for mode   75=        0.0000006084
 Unscaled step for mode   76=       -0.0000002370
 Unscaled step for mode   77=       -0.0000006689
 Unscaled step for mode   78=       -0.0000000081
 Unscaled step for mode   79=        0.0000001553
 Unscaled step for mode   80=       -0.0000002383
 Unscaled step for mode   81=       -0.0000002441
 Unscaled step for mode   82=       -0.0000000433
 Unscaled step for mode   83=        0.0000001902
 Unscaled step for mode   84=        0.0000004673
 Unscaled step for mode   85=       -0.0000005903
 Unscaled step for mode   86=       -0.0000000857
 Unscaled step for mode   87=       -0.0000006081
 Unscaled step for mode   88=        0.0000000378
 Unscaled step for mode   89=        0.0000008448
 Unscaled step for mode   90=        0.0000004547
 Unscaled step for mode   91=        0.0000000191
 Unscaled step for mode   92=        0.0000010539
 Unscaled step for mode   93=        0.0000006449
 Unscaled step for mode   94=        0.0000008036
 Unscaled step for mode   95=       -0.0000005544
 Unscaled step for mode   96=       -0.0000002061
 Unscaled step for mode   97=       -0.0000009086
 Unscaled step for mode   98=       -0.0000009061
 Unscaled step for mode   99=       -0.0000030460
 Unscaled step for mode  100=       -0.0000030171
 Unscaled step for mode  101=       -0.0000003484
 Unscaled step for mode  102=        0.0000032578
 Unscaled step for mode  103=       -0.0000000327
 Unscaled step for mode  104=       -0.0000025551
 Unscaled step for mode  105=        0.0000022316
 Unscaled step for mode  106=       -0.0000004338
 Unscaled step for mode  107=        0.0000059179
 Unscaled step for mode  108=        0.0000010222
 Unscaled step for mode  109=       -0.0000055241
 Unscaled step for mode  110=       -0.0003110265
 Unscaled step for mode  111=       -0.0004603754
 Unscaled step for mode  112=       -0.0004223298
 Unscaled step for mode  113=        0.0024341264
 Unscaled step for mode  114=       -0.1308980143
 Largest modulus ratio of non-zero e/values=           165.8406803    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.504805E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.358220E-15    0.100721E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.899606E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.200577E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.134484E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.771789E-15    0.973833E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.314798E-05    0.731042E+03  0.430616E-08 0.100000E-04    0.990657E+00
   8   -0.397455E-05    0.673227E+03  0.590373E-08 0.100000E-04    0.999920E+00
   9    0.209232E-06    0.626493E+03 -0.333973E-09 0.100000E-04    0.919434E+00
  10    0.184728E-05    0.604392E+03 -0.305644E-08 0.100000E-04    0.986605E+00
  11   -0.127450E-05    0.588635E+03  0.216518E-08 0.100000E-04    0.999044E+00
  12   -0.601116E-06    0.569832E+03  0.105490E-08 0.100000E-04    0.945290E+00
  13   -0.330545E-05    0.566633E+03  0.583350E-08 0.100000E-04    0.994313E+00
  14   -0.305181E-05    0.481985E+03  0.633176E-08 0.100000E-04    0.992027E+00
  15    0.177575E-05    0.465928E+03 -0.381122E-08 0.100000E-04    0.987682E+00
  16    0.512663E-05    0.461572E+03 -0.111069E-07 0.100000E-04    0.993651E+00
  17    0.399120E-05    0.441351E+03 -0.904312E-08 0.100000E-04    0.993908E+00
  18    0.487604E-05    0.429970E+03 -0.113404E-07 0.100000E-04    0.997027E+00
  19   -0.145952E-04    0.421658E+03  0.346138E-07 0.100000E-04    0.996451E+00
  20    0.828373E-05    0.407650E+03 -0.203207E-07 0.100000E-04    0.998922E+00
  21    0.730008E-05    0.397583E+03 -0.183612E-07 0.100000E-04    0.999378E+00
  22   -0.567750E-05    0.388849E+03  0.146008E-07 0.100000E-04    0.989523E+00
  23   -0.658212E-08    0.367648E+03  0.179033E-10 0.100000E-04    0.489689E+00
  24   -0.593078E-06    0.362085E+03  0.163795E-08 0.100000E-04    0.927201E+00
  25   -0.179287E-04    0.351119E+03  0.510614E-07 0.100000E-04    0.997634E+00
  26   -0.298197E-04    0.337011E+03  0.884829E-07 0.100000E-04    0.996779E+00
  27   -0.150010E-04    0.325492E+03  0.460872E-07 0.100000E-04    0.998013E+00
  28    0.982665E-05    0.321514E+03 -0.305636E-07 0.100000E-04    0.987692E+00
  29    0.487294E-05    0.319978E+03 -0.152290E-07 0.100000E-04    0.976694E+00
  30   -0.238134E-04    0.313642E+03  0.759254E-07 0.100000E-04    0.999477E+00
  31   -0.113218E-04    0.304362E+03  0.371986E-07 0.100000E-04    0.995449E+00
  32   -0.495387E-05    0.288262E+03  0.171853E-07 0.100000E-04    0.989039E+00
  33    0.103253E-04    0.278985E+03 -0.370101E-07 0.100000E-04    0.993173E+00
  34    0.799445E-05    0.270712E+03 -0.295312E-07 0.100000E-04    0.990193E+00
  35    0.232055E-04    0.266547E+03 -0.870598E-07 0.100000E-04    0.999821E+00
  36    0.142293E-04    0.263921E+03 -0.539152E-07 0.100000E-04    0.993543E+00
  37   -0.156273E-04    0.259090E+03  0.603163E-07 0.100000E-04    0.996077E+00
  38   -0.246142E-05    0.253837E+03  0.969686E-08 0.100000E-04    0.983497E+00
  39   -0.177508E-04    0.242433E+03  0.732195E-07 0.100000E-04    0.997190E+00
  40   -0.227503E-05    0.237867E+03  0.956428E-08 0.100000E-04    0.874715E+00
  41   -0.330548E-04    0.235504E+03  0.140358E-06 0.100000E-04    0.995148E+00
  42   -0.944086E-05    0.228631E+03  0.412931E-07 0.100000E-04    0.993729E+00
  43    0.108829E-04    0.220967E+03 -0.492512E-07 0.100000E-04    0.995283E+00
  44   -0.198559E-04    0.213466E+03  0.930168E-07 0.100000E-04    0.995073E+00
  45    0.117544E-05    0.212081E+03 -0.554240E-08 0.100000E-04    0.961016E+00
  46    0.198105E-04    0.207630E+03 -0.954123E-07 0.100000E-04    0.995378E+00
  47   -0.288390E-04    0.203476E+03  0.141732E-06 0.100000E-04    0.999094E+00
  48    0.349594E-05    0.197741E+03 -0.176794E-07 0.100000E-04    0.992452E+00
  49   -0.213150E-04    0.195390E+03  0.109089E-06 0.100000E-04    0.997922E+00
  50   -0.928277E-05    0.191570E+03  0.484563E-07 0.100000E-04    0.990876E+00
  51   -0.139667E-04    0.184672E+03  0.756295E-07 0.100000E-04    0.999207E+00
  52    0.208809E-05    0.175533E+03 -0.118957E-07 0.100000E-04    0.994232E+00
  53   -0.112854E-04    0.171619E+03  0.657583E-07 0.100000E-04    0.997431E+00
  54   -0.138781E-04    0.167566E+03  0.828213E-07 0.100000E-04    0.996434E+00
  55   -0.193134E-04    0.165275E+03  0.116856E-06 0.100000E-04    0.998825E+00
  56   -0.595006E-05    0.159389E+03  0.373304E-07 0.100000E-04    0.991395E+00
  57   -0.779704E-05    0.153775E+03  0.507043E-07 0.100000E-04    0.994873E+00
  58   -0.215988E-04    0.151140E+03  0.142906E-06 0.100000E-04    0.996916E+00
  59    0.134074E-05    0.148932E+03 -0.900235E-08 0.100000E-04    0.925759E+00
  60    0.199386E-04    0.143176E+03 -0.139259E-06 0.100000E-04    0.999333E+00
  61    0.219864E-04    0.137031E+03 -0.160448E-06 0.100000E-04    0.992118E+00
  62    0.309572E-04    0.135677E+03 -0.228168E-06 0.100000E-04    0.999151E+00
  63   -0.225809E-04    0.130733E+03  0.172725E-06 0.100000E-04    0.996224E+00
  64   -0.198989E-04    0.127889E+03  0.155596E-06 0.100000E-04    0.993717E+00
  65    0.883009E-05    0.126059E+03 -0.700474E-07 0.100000E-04    0.972349E+00
  66    0.251431E-04    0.125576E+03 -0.200222E-06 0.100000E-04    0.999489E+00
  67    0.513974E-05    0.119667E+03 -0.429502E-07 0.100000E-04    0.996166E+00
  68    0.864387E-05    0.118033E+03 -0.732328E-07 0.100000E-04    0.997604E+00
  69   -0.456163E-05    0.116952E+03  0.390043E-07 0.100000E-04    0.988421E+00
  70   -0.225143E-04    0.111268E+03  0.202343E-06 0.100000E-04    0.998520E+00
  71    0.456795E-05    0.108242E+03 -0.422011E-07 0.100000E-04    0.991880E+00
  72    0.489447E-04    0.104879E+03 -0.466676E-06 0.100000E-04    0.993770E+00
  73    0.243365E-04    0.103053E+03 -0.236155E-06 0.100000E-04    0.996933E+00
  74    0.296798E-04    0.998411E+02 -0.297270E-06 0.100000E-04    0.998236E+00
  75   -0.585176E-04    0.961773E+02  0.608435E-06 0.100000E-04    0.993827E+00
  76    0.225277E-04    0.950445E+02 -0.237023E-06 0.100000E-04    0.986546E+00
  77    0.618302E-04    0.924313E+02 -0.668932E-06 0.100000E-04    0.998748E+00
  78    0.731361E-06    0.903913E+02 -0.809105E-08 0.100000E-04    0.908852E+00
  79   -0.139481E-04    0.898208E+02  0.155288E-06 0.100000E-04    0.996676E+00
  80    0.202300E-04    0.848770E+02 -0.238345E-06 0.100000E-04    0.999963E+00
  81    0.197531E-04    0.809171E+02 -0.244115E-06 0.100000E-04    0.996225E+00
  82    0.344893E-05    0.797136E+02 -0.432665E-07 0.100000E-04    0.977988E+00
  83   -0.148998E-04    0.783436E+02  0.190185E-06 0.100000E-04    0.995269E+00
  84   -0.339871E-04    0.727387E+02  0.467250E-06 0.100000E-04    0.993561E+00
  85    0.425239E-04    0.720321E+02 -0.590346E-06 0.100000E-04    0.996150E+00
  86    0.584963E-05    0.682950E+02 -0.856524E-07 0.100000E-04    0.961629E+00
  87    0.407819E-04    0.670615E+02 -0.608128E-06 0.100000E-04    0.998872E+00
  88   -0.239381E-05    0.633087E+02  0.378117E-07 0.100000E-04    0.967774E+00
  89   -0.511200E-04    0.605124E+02  0.844786E-06 0.100000E-04    0.998407E+00
  90   -0.271479E-04    0.596991E+02  0.454745E-06 0.100000E-04    0.989085E+00
  91   -0.112576E-05    0.590360E+02  0.190690E-07 0.100000E-04    0.922108E+00
  92   -0.590279E-04    0.560085E+02  0.105391E-05 0.100000E-04    0.999637E+00
  93   -0.341334E-04    0.529286E+02  0.644895E-06 0.100000E-04    0.999907E+00
  94   -0.419906E-04    0.522555E+02  0.803564E-06 0.100000E-04    0.994242E+00
  95    0.277905E-04    0.501276E+02 -0.554394E-06 0.100000E-04    0.998239E+00
  96    0.983146E-05    0.476971E+02 -0.206123E-06 0.100000E-04    0.989282E+00
  97    0.390156E-04    0.429397E+02 -0.908613E-06 0.100000E-04    0.994682E+00
  98    0.365087E-04    0.402902E+02 -0.906143E-06 0.100000E-04    0.994855E+00
  99    0.113467E-03    0.372515E+02 -0.304597E-05 0.100000E-04    0.995320E+00
 100    0.108673E-03    0.360186E+02 -0.301715E-05 0.100000E-04    0.997053E+00
 101    0.122195E-04    0.350768E+02 -0.348365E-06 0.100000E-04    0.966435E+00
 102   -0.939349E-04    0.288342E+02  0.325776E-05 0.100000E-04    0.996094E+00
 103    0.938370E-06    0.286977E+02 -0.326985E-07 0.109000E-04    0.359006E-02
 104    0.710768E-04    0.278174E+02 -0.255512E-05 0.100000E-04    0.987977E+00
 105   -0.511739E-04    0.229313E+02  0.223162E-05 0.100000E-04    0.999384E+00
 106    0.937701E-05    0.216150E+02 -0.433820E-06 0.100000E-04    0.903248E+00
 107   -0.119619E-03    0.202130E+02  0.591794E-05 0.100000E-04    0.994462E+00
 108   -0.171982E-04    0.168246E+02  0.102220E-05 0.100000E-04    0.967359E+00
 109    0.761057E-04    0.137769E+02 -0.552414E-05 0.100000E-04    0.997365E+00
 110    0.381430E-02    0.122636E+02 -0.100000E-04 0.100000E-04    0.521364E+00
 111    0.453304E-02    0.984640E+01 -0.100000E-04 0.100000E-04    0.798675E+00
 112    0.390279E-02    0.924109E+01 -0.100000E-04 0.100000E-04    0.313652E+00
 113   -0.178929E-01    0.735079E+01  0.141295E-04 0.141295E-04    0.117273E+00
 114   -0.587071E+00    0.440810E+01 -0.400000E-03 0.400000E-03    0.432923E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1308980143    

 Beginning of optimization cycle  292.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3658870724
 potential> RMS force:                                               0.0551782239   |gradient|=.5891422145    
 Eigenvalues of the Hessian matrix:
   731.10434    673.23639    626.50570    604.38710    588.62544    569.87414 
   566.64171    482.00874    465.90505    461.56457    441.35216    429.96253 
   421.66302    407.65860    397.57770    388.84903    367.65433    362.07620 
   351.11196    336.98669    325.50199    321.51268    319.98769    313.61472 
   304.35194    288.27018    278.97952    270.71174    266.55536    263.92950 
   259.10195    253.83933    242.42823    237.87494    235.49479    228.62826 
   220.94615    213.47349    212.08645    207.62172    203.47880    197.73543 
   195.38746    191.56911    184.66178    175.52137    171.62473    167.56514 
   165.26922    159.37957    153.77933    151.14426    148.92610    143.17850 
   137.03246    135.68153    130.73160    127.89256    126.05910    125.57778 
   119.66934    118.03373    116.95414    111.26136    108.23271    104.87610 
   103.05445     99.83923     96.16905     95.04124     92.44401     90.39217 
    89.82058     84.87975     80.91709     79.71619     78.34222     72.73938 
    72.03657     68.29474     67.04910     63.30677     60.50259     59.69995 
    59.03717     56.00944     52.92463     52.25621     50.12624     47.69374 
    42.93777     40.29264     37.25555     36.02281     35.06549     28.83359 
    28.69666     27.80915     22.93223     21.60964     20.21784     16.82446 
    13.77720     12.26307      9.84715      9.23255      7.34634      4.40384 
overlap for current and previous eigenvector    109 is        -0.9999995462
overlap for current and previous eigenvector    110 is        -0.9999994262
overlap for current and previous eigenvector    111 is        -0.9999842939
overlap for current and previous eigenvector    112 is        -0.9999790199
overlap for current and previous eigenvector    113 is        -0.9999945396
overlap for current and previous eigenvector    114 is        -0.9999996983
J1,K1,R1,R2,RAT=   7   7   -0.7841305805E-02     2.007672007        0.9921586942    
FOB,PFOB,DIAG,PSTEP=   -0.3172671143E-05   -0.3147984742E-05     731.1043360        0.4306158620E-08
J1,K1,R1,R2,RAT=   8   8   -0.8932376942E-02     2.008903221        0.9910676231    
FOB,PFOB,DIAG,PSTEP=   -0.4010051830E-05   -0.3974549142E-05     673.2363933        0.5903731768E-08
J1,K1,R1,R2,RAT=   9   9   -0.1656886210E-01     2.016528763        0.9834311379    
FOB,PFOB,DIAG,PSTEP=    0.2126984818E-06    0.2092316814E-06     626.5057003       -0.3339728216E-09
J1,K1,R1,R2,RAT=  10  10    0.7227195618E-02     1.992787669        0.9927728044    
FOB,PFOB,DIAG,PSTEP=    0.1833933834E-05    0.1847284421E-05     604.3870994       -0.3056436335E-08
J1,K1,R1,R2,RAT=  11  11   -0.8607211730E-02     2.008639294        0.9913927883    
FOB,PFOB,DIAG,PSTEP=   -0.1285469228E-05   -0.1274499517E-05     588.6254392        0.2165178376E-08
J1,K1,R1,R2,RAT= 109 109     1.994673350        0.5288506461E-02    0.9946733503    
FOB,PFOB,DIAG,PSTEP=   -0.7570317402E-04    0.7610566701E-04     13.77719945       -0.5524135640E-05
J1,K1,R1,R2,RAT= 110 110     62.68472700       -0.4768111408        0.5231888592    
FOB,PFOB,DIAG,PSTEP=   -0.3872772806E-02    0.3814301107E-02     12.26307313       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     91.85595735        0.2121715860        0.7878284140    
FOB,PFOB,DIAG,PSTEP=   -0.4512150322E-02    0.4533043175E-02     9.847149557       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     85.37446914       -0.8304384378        0.1695615622    
FOB,PFOB,DIAG,PSTEP=   -0.3979456655E-02    0.3902785991E-02     9.232552455       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     345.4836830       -0.7269398164        0.2730601836    
FOB,PFOB,DIAG,PSTEP=    0.1796831572E-01   -0.1789285944E-01     7.346336205        0.1412947992E-04
J1,K1,R1,R2,RAT= 114 114    -667.5393871        0.9956594685        0.4340531517E-02
FOB,PFOB,DIAG,PSTEP=    0.5888245820       -0.5870706911         4.403842289       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00000     -0.00002 
    -0.00001     -0.00000      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001      0.00002     -0.00000     -0.00002 
    -0.00002      0.00003     -0.00002      0.00002      0.00001     -0.00003 
     0.00001      0.00001      0.00000     -0.00002      0.00000      0.00005 
     0.00002      0.00003     -0.00006      0.00002      0.00006      0.00000 
    -0.00001      0.00002      0.00002      0.00000     -0.00002     -0.00003 
     0.00004      0.00001      0.00004     -0.00000      0.00005      0.00003 
     0.00000      0.00006      0.00003      0.00004     -0.00003      0.00001 
    -0.00004     -0.00004      0.00011     -0.00011      0.00001      0.00009 
    -0.00000      0.00007     -0.00005     -0.00001     -0.00012     -0.00002 
    -0.00008     -0.00387     -0.00451     -0.00398      0.01797      0.58882 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4309237373
 Log product of positive Hessian eigenvalues =          519.9524338055
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.4038422894
 Unscaled step for mode    7=        0.0000000043
 Unscaled step for mode    8=        0.0000000060
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000030
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000011
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=        0.0000000062
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000111
 Unscaled step for mode   17=       -0.0000000091
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000347
 Unscaled step for mode   20=       -0.0000000203
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000147
 Unscaled step for mode   23=       -0.0000000000
 Unscaled step for mode   24=        0.0000000017
 Unscaled step for mode   25=        0.0000000512
 Unscaled step for mode   26=        0.0000000887
 Unscaled step for mode   27=        0.0000000463
 Unscaled step for mode   28=       -0.0000000309
 Unscaled step for mode   29=       -0.0000000154
 Unscaled step for mode   30=        0.0000000761
 Unscaled step for mode   31=        0.0000000375
 Unscaled step for mode   32=        0.0000000172
 Unscaled step for mode   33=       -0.0000000370
 Unscaled step for mode   34=       -0.0000000297
 Unscaled step for mode   35=       -0.0000000872
 Unscaled step for mode   36=       -0.0000000542
 Unscaled step for mode   37=        0.0000000606
 Unscaled step for mode   38=        0.0000000096
 Unscaled step for mode   39=        0.0000000733
 Unscaled step for mode   40=        0.0000000104
 Unscaled step for mode   41=        0.0000001409
 Unscaled step for mode   42=        0.0000000415
 Unscaled step for mode   43=       -0.0000000497
 Unscaled step for mode   44=        0.0000000936
 Unscaled step for mode   45=       -0.0000000052
 Unscaled step for mode   46=       -0.0000000959
 Unscaled step for mode   47=        0.0000001420
 Unscaled step for mode   48=       -0.0000000179
 Unscaled step for mode   49=        0.0000001097
 Unscaled step for mode   50=        0.0000000482
 Unscaled step for mode   51=        0.0000000761
 Unscaled step for mode   52=       -0.0000000121
 Unscaled step for mode   53=        0.0000000660
 Unscaled step for mode   54=        0.0000000835
 Unscaled step for mode   55=        0.0000001170
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000512
 Unscaled step for mode   58=       -0.0000001433
 Unscaled step for mode   59=        0.0000000088
 Unscaled step for mode   60=        0.0000001400
 Unscaled step for mode   61=        0.0000001611
 Unscaled step for mode   62=       -0.0000002279
 Unscaled step for mode   63=        0.0000001725
 Unscaled step for mode   64=       -0.0000001569
 Unscaled step for mode   65=       -0.0000000719
 Unscaled step for mode   66=        0.0000001995
 Unscaled step for mode   67=       -0.0000000434
 Unscaled step for mode   68=       -0.0000000734
 Unscaled step for mode   69=       -0.0000000391
 Unscaled step for mode   70=        0.0000002035
 Unscaled step for mode   71=       -0.0000000423
 Unscaled step for mode   72=       -0.0000004679
 Unscaled step for mode   73=       -0.0000002372
 Unscaled step for mode   74=       -0.0000002966
 Unscaled step for mode   75=        0.0000006126
 Unscaled step for mode   76=       -0.0000002344
 Unscaled step for mode   77=       -0.0000006691
 Unscaled step for mode   78=       -0.0000000072
 Unscaled step for mode   79=        0.0000001526
 Unscaled step for mode   80=       -0.0000002395
 Unscaled step for mode   81=       -0.0000002445
 Unscaled step for mode   82=       -0.0000000410
 Unscaled step for mode   83=        0.0000001918
 Unscaled step for mode   84=        0.0000004683
 Unscaled step for mode   85=       -0.0000005902
 Unscaled step for mode   86=       -0.0000000816
 Unscaled step for mode   87=       -0.0000006102
 Unscaled step for mode   88=        0.0000000383
 Unscaled step for mode   89=       -0.0000008470
 Unscaled step for mode   90=       -0.0000004557
 Unscaled step for mode   91=       -0.0000000201
 Unscaled step for mode   92=       -0.0000010571
 Unscaled step for mode   93=       -0.0000006411
 Unscaled step for mode   94=       -0.0000008043
 Unscaled step for mode   95=        0.0000005496
 Unscaled step for mode   96=       -0.0000002061
 Unscaled step for mode   97=        0.0000009089
 Unscaled step for mode   98=        0.0000009100
 Unscaled step for mode   99=       -0.0000030495
 Unscaled step for mode  100=        0.0000030133
 Unscaled step for mode  101=       -0.0000003520
 Unscaled step for mode  102=       -0.0000032587
 Unscaled step for mode  103=        0.0000000504
 Unscaled step for mode  104=       -0.0000025520
 Unscaled step for mode  105=        0.0000022451
 Unscaled step for mode  106=        0.0000004128
 Unscaled step for mode  107=        0.0000059321
 Unscaled step for mode  108=        0.0000010010
 Unscaled step for mode  109=        0.0000054948
 Unscaled step for mode  110=        0.0003158077
 Unscaled step for mode  111=        0.0004582188
 Unscaled step for mode  112=        0.0004310245
 Unscaled step for mode  113=       -0.0024458734
 Unscaled step for mode  114=        0.1313984827
 Largest modulus ratio of non-zero e/values=           166.0151041    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.108637E-15    0.101895E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.127209E-14    0.100721E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.195156E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.523995E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.105456E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.728259E-15    0.973835E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.317267E-05    0.731104E+03  0.433956E-08 0.100000E-04    0.992159E+00
   8   -0.401005E-05    0.673236E+03  0.595638E-08 0.100000E-04    0.991068E+00
   9    0.212698E-06    0.626506E+03 -0.339500E-09 0.100000E-04    0.983431E+00
  10    0.183393E-05    0.604387E+03 -0.303437E-08 0.100000E-04    0.992773E+00
  11   -0.128547E-05    0.588625E+03  0.218385E-08 0.100000E-04    0.991393E+00
  12   -0.640133E-06    0.569874E+03  0.112329E-08 0.100000E-04    0.935097E+00
  13   -0.333685E-05    0.566642E+03  0.588882E-08 0.100000E-04    0.990502E+00
  14   -0.301111E-05    0.482009E+03  0.624701E-08 0.100000E-04    0.986565E+00
  15    0.179779E-05    0.465905E+03 -0.385870E-08 0.100000E-04    0.987592E+00
  16    0.514258E-05    0.461565E+03 -0.111416E-07 0.100000E-04    0.996889E+00
  17    0.399835E-05    0.441352E+03 -0.905932E-08 0.100000E-04    0.998207E+00
  18    0.490229E-05    0.429963E+03 -0.114017E-07 0.100000E-04    0.994617E+00
  19   -0.146312E-04    0.421663E+03  0.346987E-07 0.100000E-04    0.997535E+00
  20    0.826816E-05    0.407659E+03 -0.202821E-07 0.100000E-04    0.998078E+00
  21    0.729753E-05    0.397578E+03 -0.183550E-07 0.100000E-04    0.999652E+00
  22   -0.569711E-05    0.388849E+03  0.146512E-07 0.100000E-04    0.996546E+00
  23    0.530835E-08    0.367654E+03 -0.144384E-10 0.100000E-04    0.806451E+00
  24   -0.603586E-06    0.362076E+03  0.166701E-08 0.100000E-04    0.982281E+00
  25   -0.179905E-04    0.351112E+03  0.512387E-07 0.100000E-04    0.996550E+00
  26   -0.298845E-04    0.336987E+03  0.886815E-07 0.100000E-04    0.997829E+00
  27   -0.150551E-04    0.325502E+03  0.462521E-07 0.100000E-04    0.996390E+00
  28    0.993774E-05    0.321513E+03 -0.309093E-07 0.100000E-04    0.988695E+00
  29    0.493619E-05    0.319988E+03 -0.154262E-07 0.100000E-04    0.987020E+00
  30   -0.238649E-04    0.313615E+03  0.760963E-07 0.100000E-04    0.997835E+00
  31   -0.114182E-04    0.304352E+03  0.375166E-07 0.100000E-04    0.991484E+00
  32   -0.496049E-05    0.288270E+03  0.172078E-07 0.100000E-04    0.998665E+00
  33    0.103327E-04    0.278980E+03 -0.370375E-07 0.100000E-04    0.999279E+00
  34    0.802932E-05    0.270712E+03 -0.296600E-07 0.100000E-04    0.995638E+00
  35    0.232391E-04    0.266555E+03 -0.871831E-07 0.100000E-04    0.998552E+00
  36    0.143013E-04    0.263930E+03 -0.541861E-07 0.100000E-04    0.994943E+00
  37   -0.156911E-04    0.259102E+03  0.605596E-07 0.100000E-04    0.995920E+00
  38   -0.244089E-05    0.253839E+03  0.961590E-08 0.100000E-04    0.991642E+00
  39   -0.177793E-04    0.242428E+03  0.733384E-07 0.100000E-04    0.998394E+00
  40   -0.248290E-05    0.237875E+03  0.104378E-07 0.100000E-04    0.908633E+00
  41   -0.331901E-04    0.235495E+03  0.140938E-06 0.100000E-04    0.995905E+00
  42   -0.948123E-05    0.228628E+03  0.414700E-07 0.100000E-04    0.995724E+00
  43    0.109757E-04    0.220946E+03 -0.496760E-07 0.100000E-04    0.991467E+00
  44   -0.199824E-04    0.213473E+03  0.936062E-07 0.100000E-04    0.993627E+00
  45    0.110775E-05    0.212086E+03 -0.522311E-08 0.100000E-04    0.942366E+00
  46    0.199199E-04    0.207622E+03 -0.959434E-07 0.100000E-04    0.994475E+00
  47   -0.288878E-04    0.203479E+03  0.141970E-06 0.100000E-04    0.998307E+00
  48    0.353475E-05    0.197735E+03 -0.178762E-07 0.100000E-04    0.988897E+00
  49   -0.214259E-04    0.195387E+03  0.109658E-06 0.100000E-04    0.994797E+00
  50   -0.923481E-05    0.191569E+03  0.482061E-07 0.100000E-04    0.994833E+00
  51   -0.140542E-04    0.184662E+03  0.761077E-07 0.100000E-04    0.993733E+00
  52    0.212740E-05    0.175521E+03 -0.121205E-07 0.100000E-04    0.981173E+00
  53   -0.113347E-04    0.171625E+03  0.660433E-07 0.100000E-04    0.995631E+00
  54   -0.139929E-04    0.167565E+03  0.835072E-07 0.100000E-04    0.991725E+00
  55   -0.193365E-04    0.165269E+03  0.117000E-06 0.100000E-04    0.998801E+00
  56    0.589903E-05    0.159380E+03 -0.370125E-07 0.100000E-04    0.991423E+00
  57    0.786987E-05    0.153779E+03 -0.511764E-07 0.100000E-04    0.990659E+00
  58    0.216590E-04    0.151144E+03 -0.143300E-06 0.100000E-04    0.997213E+00
  59   -0.131653E-05    0.148926E+03  0.884014E-08 0.100000E-04    0.981940E+00
  60   -0.200397E-04    0.143178E+03  0.139963E-06 0.100000E-04    0.994929E+00
  61   -0.220819E-04    0.137032E+03  0.161143E-06 0.100000E-04    0.995656E+00
  62    0.309208E-04    0.135682E+03 -0.227893E-06 0.100000E-04    0.998764E+00
  63   -0.225550E-04    0.130732E+03  0.172529E-06 0.100000E-04    0.998857E+00
  64    0.200632E-04    0.127893E+03 -0.156875E-06 0.100000E-04    0.991746E+00
  65    0.905955E-05    0.126059E+03 -0.718675E-07 0.100000E-04    0.974014E+00
  66   -0.250550E-04    0.125578E+03  0.199518E-06 0.100000E-04    0.996470E+00
  67    0.519336E-05    0.119669E+03 -0.433976E-07 0.100000E-04    0.989569E+00
  68    0.865950E-05    0.118034E+03 -0.733646E-07 0.100000E-04    0.998192E+00
  69    0.457220E-05    0.116954E+03 -0.390940E-07 0.100000E-04    0.997683E+00
  70   -0.226371E-04    0.111261E+03  0.203459E-06 0.100000E-04    0.994543E+00
  71    0.458272E-05    0.108233E+03 -0.423413E-07 0.100000E-04    0.996768E+00
  72    0.490747E-04    0.104876E+03 -0.467930E-06 0.100000E-04    0.997343E+00
  73    0.244417E-04    0.103054E+03 -0.237173E-06 0.100000E-04    0.995677E+00
  74    0.296145E-04    0.998392E+02 -0.296622E-06 0.100000E-04    0.997801E+00
  75   -0.589115E-04    0.961691E+02  0.612583E-06 0.100000E-04    0.993268E+00
  76    0.222787E-04    0.950412E+02 -0.234411E-06 0.100000E-04    0.988948E+00
  77    0.618575E-04    0.924440E+02 -0.669134E-06 0.100000E-04    0.999560E+00
  78    0.647100E-06    0.903922E+02 -0.715881E-08 0.100000E-04    0.884771E+00
  79   -0.137105E-04    0.898206E+02  0.152643E-06 0.100000E-04    0.982964E+00
  80    0.203249E-04    0.848798E+02 -0.239456E-06 0.100000E-04    0.995307E+00
  81    0.197841E-04    0.809171E+02 -0.244499E-06 0.100000E-04    0.998428E+00
  82    0.327122E-05    0.797162E+02 -0.410359E-07 0.100000E-04    0.948411E+00
  83   -0.150236E-04    0.783422E+02  0.191769E-06 0.100000E-04    0.991686E+00
  84   -0.340664E-04    0.727394E+02  0.468335E-06 0.100000E-04    0.997667E+00
  85    0.425128E-04    0.720366E+02 -0.590156E-06 0.100000E-04    0.999617E+00
  86    0.557258E-05    0.682947E+02 -0.815961E-07 0.100000E-04    0.952639E+00
  87    0.409101E-04    0.670491E+02 -0.610152E-06 0.100000E-04    0.996856E+00
  88   -0.242592E-05    0.633068E+02  0.383200E-07 0.100000E-04    0.986588E+00
  89    0.512427E-04    0.605026E+02 -0.846950E-06 0.100000E-04    0.997600E+00
  90    0.272047E-04    0.596999E+02 -0.455690E-06 0.100000E-04    0.997908E+00
  91    0.118806E-05    0.590372E+02 -0.201239E-07 0.100000E-04    0.944662E+00
  92    0.592099E-04    0.560094E+02 -0.105714E-05 0.100000E-04    0.996917E+00
  93    0.339274E-04    0.529246E+02 -0.641052E-06 0.100000E-04    0.993966E+00
  94    0.420319E-04    0.522562E+02 -0.804342E-06 0.100000E-04    0.999018E+00
  95   -0.275480E-04    0.501262E+02  0.549572E-06 0.100000E-04    0.991274E+00
  96    0.982874E-05    0.476937E+02 -0.206080E-06 0.100000E-04    0.999724E+00
  97   -0.390242E-04    0.429378E+02  0.908855E-06 0.100000E-04    0.999779E+00
  98   -0.366655E-04    0.402926E+02  0.909980E-06 0.100000E-04    0.995705E+00
  99    0.113610E-03    0.372556E+02 -0.304947E-05 0.100000E-04    0.998744E+00
 100   -0.108549E-03    0.360228E+02  0.301333E-05 0.100000E-04    0.998617E+00
 101    0.123423E-04    0.350655E+02 -0.351980E-06 0.100000E-04    0.989947E+00
 102    0.939590E-04    0.288336E+02 -0.325867E-05 0.100000E-04    0.999743E+00
 103   -0.144680E-05    0.286967E+02  0.504171E-07 0.100000E-04    0.458156E+00
 104    0.709696E-04    0.278091E+02 -0.255202E-05 0.100000E-04    0.998491E+00
 105   -0.514861E-04    0.229322E+02  0.224514E-05 0.100000E-04    0.993899E+00
 106   -0.892064E-05    0.216096E+02  0.412808E-06 0.100000E-04    0.951319E+00
 107   -0.119934E-03    0.202178E+02  0.593211E-05 0.100000E-04    0.997367E+00
 108   -0.168409E-04    0.168245E+02  0.100098E-05 0.100000E-04    0.979226E+00
 109   -0.757032E-04    0.137772E+02  0.549482E-05 0.100000E-04    0.994673E+00
 110   -0.387277E-02    0.122631E+02  0.100000E-04 0.100000E-04    0.523189E+00
 111   -0.451215E-02    0.984715E+01  0.100000E-04 0.100000E-04    0.787828E+00
 112   -0.397946E-02    0.923255E+01  0.109000E-04 0.109000E-04    0.169562E+00
 113    0.179683E-01    0.734634E+01 -0.127293E-04 0.127293E-04    0.273060E+00
 114    0.588825E+00    0.440384E+01  0.400000E-03 0.400000E-03    0.434053E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1313984827    

 Beginning of optimization cycle  293.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3656515456
 potential> RMS force:                                               0.0553425492   |gradient|=.5908967280    
 Eigenvalues of the Hessian matrix:
   731.16624    673.24633    626.51831    604.38230    588.61611    569.91659 
   566.65055    482.03298    465.88173    461.55707    441.35288    429.95450 
   421.66801    407.66731    397.57271    388.84895    367.66046    362.06712 
   351.10445    336.96229    325.51241    321.51098    319.99690    313.58764 
   304.34224    288.27810    278.97414    270.71159    266.56388    263.93813 
   259.11380    253.84161    242.42359    237.88263    235.48538    228.62580 
   220.92570    213.48122    212.09180    207.61340    203.48125    197.73001 
   195.38474    191.56823    184.65152    175.50931    171.63081    167.56395 
   165.26376    159.37016    153.78386    151.14869    148.92005    143.18099 
   137.03405    135.68566    130.72992    127.89643    126.05947    125.57931 
   119.67124    118.03470    116.95609    111.25501    108.22302    104.87300 
   103.05560     99.83736     96.16089     95.03795     92.45670     90.39315 
    89.82020     84.88254     80.91711     79.71878     78.34086     72.74017 
    72.04109     68.29457     67.03671     63.30484     60.49287     59.70084 
    59.03839     56.01037     52.92074     52.25699     50.12485     47.69036 
    42.93586     40.29511     37.25967     36.02712     35.05424     28.83304 
    28.69566     27.80089     22.93318     21.60427     20.22272     16.82435 
    13.77747     12.26256      9.84793      9.22408      7.34185      4.39957 
overlap for current and previous eigenvector    109 is         0.9999995532
overlap for current and previous eigenvector    110 is         0.9999994303
overlap for current and previous eigenvector    111 is         0.9999854709
overlap for current and previous eigenvector    112 is         0.9999801776
overlap for current and previous eigenvector    113 is         0.9999945257
overlap for current and previous eigenvector    114 is         0.9999996987
J1,K1,R1,R2,RAT=   7   7   -0.9243224467E-02     2.009073900        0.9907567755    
FOB,PFOB,DIAG,PSTEP=   -0.3201999337E-05   -0.3172671143E-05     731.1662381        0.4339560014E-08
J1,K1,R1,R2,RAT=   8   8   -0.5448214192E-05     1.999975916        0.9999759157    
FOB,PFOB,DIAG,PSTEP=   -0.4010073678E-05   -0.4010051830E-05     673.2463346        0.5956380062E-08
J1,K1,R1,R2,RAT=   9   9    0.8623946460E-01     1.913720281        0.9137202813    
FOB,PFOB,DIAG,PSTEP=    0.1943551094E-06    0.2126984818E-06     626.5183103       -0.3394996752E-09
J1,K1,R1,R2,RAT=  10  10   -0.1331132866E-01     2.013327211        0.9866886713    
FOB,PFOB,DIAG,PSTEP=    0.1858345736E-05    0.1833933834E-05     604.3823000       -0.3034369589E-08
J1,K1,R1,R2,RAT=  11  11    0.9160315733E-03     1.999115654        0.9990839684    
FOB,PFOB,DIAG,PSTEP=   -0.1284291716E-05   -0.1285469228E-05     588.6161140        0.2183849257E-08
J1,K1,R1,R2,RAT= 109 109   -0.2622581863E-02     2.002583310        0.9973774181    
FOB,PFOB,DIAG,PSTEP=   -0.7590171569E-04   -0.7570317402E-04     13.77746998        0.5494815858E-05
J1,K1,R1,R2,RAT= 110 110   -0.4854229538         63.64959311        0.5145770462    
FOB,PFOB,DIAG,PSTEP=   -0.3932298098E-02   -0.3872772806E-02     12.26256214        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2099833909         91.42656032        0.7900166091    
FOB,PFOB,DIAG,PSTEP=   -0.4491471309E-02   -0.4512150322E-02     9.847927779        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6752290021         79.83496603        0.3247709979    
FOB,PFOB,DIAG,PSTEP=   -0.4047345829E-02   -0.3979456655E-02     9.224077297        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9202811821         385.4490680        0.7971881794E-01
FOB,PFOB,DIAG,PSTEP=    0.1805432178E-01    0.1796831572E-01     7.341846670       -0.1272926119E-04
J1,K1,R1,R2,RAT= 114 114    0.9956303380        -670.1804101        0.4369661964E-02
FOB,PFOB,DIAG,PSTEP=    0.5905767187        0.5888245820         4.399566456        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
    -0.00002      0.00001      0.00001      0.00002     -0.00000     -0.00002 
    -0.00002      0.00003     -0.00002      0.00002      0.00001     -0.00003 
     0.00001      0.00001      0.00000     -0.00002     -0.00000     -0.00005 
     0.00002      0.00003     -0.00006      0.00002      0.00006      0.00000 
    -0.00001      0.00002      0.00002      0.00000     -0.00001     -0.00003 
     0.00004      0.00001      0.00004     -0.00000      0.00005      0.00003 
     0.00000      0.00006      0.00003      0.00004     -0.00003      0.00001 
    -0.00004     -0.00004      0.00011     -0.00011      0.00001      0.00009 
    -0.00000      0.00007     -0.00005     -0.00001     -0.00012     -0.00002 
    -0.00008     -0.00393     -0.00449     -0.00405      0.01805      0.59058 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4308016985
 Log product of positive Hessian eigenvalues =          519.9490264425
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3995664563
 Unscaled step for mode    7=        0.0000000044
 Unscaled step for mode    8=        0.0000000060
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000012
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=        0.0000000062
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000112
 Unscaled step for mode   17=       -0.0000000091
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000348
 Unscaled step for mode   20=       -0.0000000203
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000148
 Unscaled step for mode   23=       -0.0000000000
 Unscaled step for mode   24=        0.0000000018
 Unscaled step for mode   25=        0.0000000514
 Unscaled step for mode   26=        0.0000000890
 Unscaled step for mode   27=        0.0000000463
 Unscaled step for mode   28=       -0.0000000313
 Unscaled step for mode   29=       -0.0000000158
 Unscaled step for mode   30=        0.0000000761
 Unscaled step for mode   31=        0.0000000377
 Unscaled step for mode   32=        0.0000000174
 Unscaled step for mode   33=       -0.0000000373
 Unscaled step for mode   34=       -0.0000000299
 Unscaled step for mode   35=       -0.0000000872
 Unscaled step for mode   36=       -0.0000000545
 Unscaled step for mode   37=        0.0000000608
 Unscaled step for mode   38=        0.0000000095
 Unscaled step for mode   39=        0.0000000735
 Unscaled step for mode   40=        0.0000000115
 Unscaled step for mode   41=        0.0000001416
 Unscaled step for mode   42=        0.0000000417
 Unscaled step for mode   43=       -0.0000000499
 Unscaled step for mode   44=        0.0000000941
 Unscaled step for mode   45=       -0.0000000054
 Unscaled step for mode   46=       -0.0000000964
 Unscaled step for mode   47=        0.0000001421
 Unscaled step for mode   48=       -0.0000000180
 Unscaled step for mode   49=        0.0000001099
 Unscaled step for mode   50=        0.0000000486
 Unscaled step for mode   51=        0.0000000762
 Unscaled step for mode   52=       -0.0000000122
 Unscaled step for mode   53=        0.0000000662
 Unscaled step for mode   54=        0.0000000838
 Unscaled step for mode   55=        0.0000001171
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=       -0.0000000514
 Unscaled step for mode   58=       -0.0000001437
 Unscaled step for mode   59=        0.0000000081
 Unscaled step for mode   60=        0.0000001401
 Unscaled step for mode   61=        0.0000001624
 Unscaled step for mode   62=       -0.0000002281
 Unscaled step for mode   63=        0.0000001732
 Unscaled step for mode   64=       -0.0000001578
 Unscaled step for mode   65=       -0.0000000738
 Unscaled step for mode   66=        0.0000001996
 Unscaled step for mode   67=       -0.0000000436
 Unscaled step for mode   68=       -0.0000000735
 Unscaled step for mode   69=       -0.0000000395
 Unscaled step for mode   70=        0.0000002038
 Unscaled step for mode   71=        0.0000000427
 Unscaled step for mode   72=        0.0000004708
 Unscaled step for mode   73=       -0.0000002379
 Unscaled step for mode   74=       -0.0000002971
 Unscaled step for mode   75=        0.0000006164
 Unscaled step for mode   76=       -0.0000002310
 Unscaled step for mode   77=       -0.0000006683
 Unscaled step for mode   78=       -0.0000000078
 Unscaled step for mode   79=        0.0000001522
 Unscaled step for mode   80=       -0.0000002394
 Unscaled step for mode   81=       -0.0000002454
 Unscaled step for mode   82=       -0.0000000400
 Unscaled step for mode   83=        0.0000001909
 Unscaled step for mode   84=        0.0000004713
 Unscaled step for mode   85=       -0.0000005923
 Unscaled step for mode   86=       -0.0000000782
 Unscaled step for mode   87=       -0.0000006109
 Unscaled step for mode   88=        0.0000000395
 Unscaled step for mode   89=       -0.0000008483
 Unscaled step for mode   90=       -0.0000004607
 Unscaled step for mode   91=       -0.0000000216
 Unscaled step for mode   92=       -0.0000010567
 Unscaled step for mode   93=       -0.0000006409
 Unscaled step for mode   94=       -0.0000008089
 Unscaled step for mode   95=        0.0000005505
 Unscaled step for mode   96=       -0.0000002038
 Unscaled step for mode   97=        0.0000009137
 Unscaled step for mode   98=        0.0000009146
 Unscaled step for mode   99=       -0.0000030630
 Unscaled step for mode  100=        0.0000030047
 Unscaled step for mode  101=       -0.0000003633
 Unscaled step for mode  102=       -0.0000032711
 Unscaled step for mode  103=        0.0000000667
 Unscaled step for mode  104=       -0.0000025832
 Unscaled step for mode  105=        0.0000022464
 Unscaled step for mode  106=        0.0000004512
 Unscaled step for mode  107=        0.0000059001
 Unscaled step for mode  108=        0.0000009668
 Unscaled step for mode  109=        0.0000055091
 Unscaled step for mode  110=        0.0003206750
 Unscaled step for mode  111=        0.0004560828
 Unscaled step for mode  112=        0.0004387805
 Unscaled step for mode  113=       -0.0024590833
 Unscaled step for mode  114=        0.1318998419
 Largest modulus ratio of non-zero e/values=           166.1905202    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.193639E-15    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.126852E-15    0.100721E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.566783E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.126114E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.414003E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.104463E-15    0.973837E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.320200E-05    0.731166E+03  0.437930E-08 0.100000E-04    0.990757E+00
   8   -0.401007E-05    0.673246E+03  0.595632E-08 0.100000E-04    0.999976E+00
   9    0.194355E-06    0.626518E+03 -0.310215E-09 0.100000E-04    0.913720E+00
  10    0.185835E-05    0.604382E+03 -0.307479E-08 0.100000E-04    0.986689E+00
  11   -0.128429E-05    0.588616E+03  0.218188E-08 0.100000E-04    0.999084E+00
  12   -0.671423E-06    0.569917E+03  0.117811E-08 0.100000E-04    0.951123E+00
  13   -0.331806E-05    0.566651E+03  0.585557E-08 0.100000E-04    0.994339E+00
  14   -0.298640E-05    0.482033E+03  0.619543E-08 0.100000E-04    0.991692E+00
  15    0.177582E-05    0.465882E+03 -0.381174E-08 0.100000E-04    0.987782E+00
  16    0.517482E-05    0.461557E+03 -0.112117E-07 0.100000E-04    0.993730E+00
  17    0.402228E-05    0.441353E+03 -0.911353E-08 0.100000E-04    0.994016E+00
  18    0.488776E-05    0.429955E+03 -0.113681E-07 0.100000E-04    0.997037E+00
  19   -0.146826E-04    0.421668E+03  0.348204E-07 0.100000E-04    0.996482E+00
  20    0.825907E-05    0.407667E+03 -0.202593E-07 0.100000E-04    0.998857E+00
  21    0.730157E-05    0.397573E+03 -0.183654E-07 0.100000E-04    0.999447E+00
  22   -0.575601E-05    0.388849E+03  0.148027E-07 0.100000E-04    0.989662E+00
  23    0.121079E-07    0.367660E+03 -0.329323E-10 0.100000E-04    0.280894E+00
  24   -0.644035E-06    0.362067E+03  0.177877E-08 0.100000E-04    0.932984E+00
  25   -0.180326E-04    0.351104E+03  0.513597E-07 0.100000E-04    0.997658E+00
  26   -0.299794E-04    0.336962E+03  0.889695E-07 0.100000E-04    0.996824E+00
  27   -0.150844E-04    0.325512E+03  0.463405E-07 0.100000E-04    0.998057E+00
  28    0.100566E-04    0.321511E+03 -0.312792E-07 0.100000E-04    0.988040E+00
  29    0.504998E-05    0.319997E+03 -0.157813E-07 0.100000E-04    0.976949E+00
  30   -0.238764E-04    0.313588E+03  0.761394E-07 0.100000E-04    0.999519E+00
  31   -0.114701E-04    0.304342E+03  0.376882E-07 0.100000E-04    0.995456E+00
  32   -0.501420E-05    0.288278E+03  0.173936E-07 0.100000E-04    0.989172E+00
  33    0.104027E-04    0.278974E+03 -0.372890E-07 0.100000E-04    0.993228E+00
  34    0.810745E-05    0.270712E+03 -0.299487E-07 0.100000E-04    0.990270E+00
  35    0.232426E-04    0.266564E+03 -0.871935E-07 0.100000E-04    0.999848E+00
  36    0.143922E-04    0.263938E+03 -0.545287E-07 0.100000E-04    0.993645E+00
  37   -0.157520E-04    0.259114E+03  0.607918E-07 0.100000E-04    0.996120E+00
  38   -0.239901E-05    0.253842E+03  0.945081E-08 0.100000E-04    0.982822E+00
  39   -0.178287E-04    0.242424E+03  0.735438E-07 0.100000E-04    0.997219E+00
  40   -0.273455E-05    0.237883E+03  0.114954E-07 0.100000E-04    0.898652E+00
  41   -0.333467E-04    0.235485E+03  0.141608E-06 0.100000E-04    0.995281E+00
  42   -0.954053E-05    0.228626E+03  0.417299E-07 0.100000E-04    0.993745E+00
  43    0.110272E-04    0.220926E+03 -0.499136E-07 0.100000E-04    0.995310E+00
  44   -0.200809E-04    0.213481E+03  0.940641E-07 0.100000E-04    0.995072E+00
  45    0.115189E-05    0.212092E+03 -0.543108E-08 0.100000E-04    0.960156E+00
  46    0.200119E-04    0.207613E+03 -0.963903E-07 0.100000E-04    0.995381E+00
  47   -0.289127E-04    0.203481E+03  0.142090E-06 0.100000E-04    0.999138E+00
  48    0.356118E-05    0.197730E+03 -0.180103E-07 0.100000E-04    0.992522E+00
  49   -0.214702E-04    0.195385E+03  0.109887E-06 0.100000E-04    0.997934E+00
  50   -0.931820E-05    0.191568E+03  0.486417E-07 0.100000E-04    0.990970E+00
  51   -0.140653E-04    0.184652E+03  0.761720E-07 0.100000E-04    0.999210E+00
  52    0.213980E-05    0.175509E+03 -0.121919E-07 0.100000E-04    0.994171E+00
  53   -0.113638E-04    0.171631E+03  0.662104E-07 0.100000E-04    0.997434E+00
  54   -0.140424E-04    0.167564E+03  0.838033E-07 0.100000E-04    0.996461E+00
  55   -0.193590E-04    0.165264E+03  0.117140E-06 0.100000E-04    0.998838E+00
  56    0.594951E-05    0.159370E+03 -0.373314E-07 0.100000E-04    0.991443E+00
  57    0.791016E-05    0.153784E+03 -0.514369E-07 0.100000E-04    0.994881E+00
  58    0.217245E-04    0.151149E+03 -0.143730E-06 0.100000E-04    0.996976E+00
  59   -0.120952E-05    0.148920E+03  0.812194E-08 0.100000E-04    0.918717E+00
  60   -0.200533E-04    0.143181E+03  0.140056E-06 0.100000E-04    0.999322E+00
  61   -0.222544E-04    0.137034E+03  0.162400E-06 0.100000E-04    0.992189E+00
  62    0.309447E-04    0.135686E+03 -0.228062E-06 0.100000E-04    0.999228E+00
  63   -0.226387E-04    0.130730E+03  0.173172E-06 0.100000E-04    0.996290E+00
  64    0.201883E-04    0.127896E+03 -0.157849E-06 0.100000E-04    0.993763E+00
  65    0.930158E-05    0.126059E+03 -0.737873E-07 0.100000E-04    0.973284E+00
  66   -0.250609E-04    0.125579E+03  0.199562E-06 0.100000E-04    0.999764E+00
  67    0.521382E-05    0.119671E+03 -0.435679E-07 0.100000E-04    0.996060E+00
  68    0.867960E-05    0.118035E+03 -0.735343E-07 0.100000E-04    0.997678E+00
  69    0.462430E-05    0.116956E+03 -0.395388E-07 0.100000E-04    0.988606E+00
  70   -0.226701E-04    0.111255E+03  0.203767E-06 0.100000E-04    0.998544E+00
  71   -0.461935E-05    0.108223E+03  0.426836E-07 0.100000E-04    0.992005E+00
  72   -0.493778E-04    0.104873E+03  0.470834E-06 0.100000E-04    0.993824E+00
  73    0.245156E-04    0.103056E+03 -0.237887E-06 0.100000E-04    0.996979E+00
  74    0.296650E-04    0.998374E+02 -0.297133E-06 0.100000E-04    0.998295E+00
  75   -0.592716E-04    0.961609E+02  0.616379E-06 0.100000E-04    0.993888E+00
  76    0.219551E-04    0.950380E+02 -0.231014E-06 0.100000E-04    0.985472E+00
  77    0.617923E-04    0.924567E+02 -0.668338E-06 0.100000E-04    0.998673E+00
  78    0.703074E-06    0.903932E+02 -0.777796E-08 0.100000E-04    0.913501E+00
  79   -0.136662E-04    0.898202E+02  0.152151E-06 0.100000E-04    0.996775E+00
  80    0.203247E-04    0.848825E+02 -0.239445E-06 0.100000E-04    0.999922E+00
  81    0.198581E-04    0.809171E+02 -0.245413E-06 0.100000E-04    0.996259E+00
  82    0.319266E-05    0.797188E+02 -0.400491E-07 0.100000E-04    0.975920E+00
  83   -0.149525E-04    0.783409E+02  0.190864E-06 0.100000E-04    0.995265E+00
  84   -0.342843E-04    0.727402E+02  0.471326E-06 0.100000E-04    0.993605E+00
  85    0.426728E-04    0.720411E+02 -0.592340E-06 0.100000E-04    0.996237E+00
  86    0.534176E-05    0.682946E+02 -0.782165E-07 0.100000E-04    0.958579E+00
  87    0.409528E-04    0.670367E+02 -0.610902E-06 0.100000E-04    0.998956E+00
  88   -0.250251E-05    0.633048E+02  0.395311E-07 0.100000E-04    0.968426E+00
  89    0.513184E-04    0.604929E+02 -0.848338E-06 0.100000E-04    0.998522E+00
  90    0.275035E-04    0.597008E+02 -0.460688E-06 0.100000E-04    0.989017E+00
  91    0.127375E-05    0.590384E+02 -0.215750E-07 0.100000E-04    0.927871E+00
  92    0.591883E-04    0.560104E+02 -0.105674E-05 0.100000E-04    0.999602E+00
  93    0.339193E-04    0.529207E+02 -0.640946E-06 0.100000E-04    0.999761E+00
  94    0.422714E-04    0.522570E+02 -0.808913E-06 0.100000E-04    0.994302E+00
  95   -0.275956E-04    0.501248E+02  0.550538E-06 0.100000E-04    0.998270E+00
  96    0.972117E-05    0.476904E+02 -0.203839E-06 0.100000E-04    0.989055E+00
  97   -0.392296E-04    0.429359E+02  0.913679E-06 0.100000E-04    0.994736E+00
  98   -0.368529E-04    0.402951E+02  0.914575E-06 0.100000E-04    0.994890E+00
  99    0.114128E-03    0.372597E+02 -0.306304E-05 0.100000E-04    0.995438E+00
 100   -0.108251E-03    0.360271E+02  0.300470E-05 0.100000E-04    0.997018E+00
 101    0.127365E-04    0.350542E+02 -0.363337E-06 0.100000E-04    0.968053E+00
 102    0.943171E-04    0.288330E+02 -0.327115E-05 0.100000E-04    0.996189E+00
 103   -0.191527E-05    0.286957E+02  0.667443E-07 0.100000E-04    0.676193E+00
 104    0.718146E-04    0.278009E+02 -0.258317E-05 0.100000E-04    0.988090E+00
 105   -0.515177E-04    0.229332E+02  0.224643E-05 0.100000E-04    0.999386E+00
 106   -0.974726E-05    0.216043E+02  0.451173E-06 0.100000E-04    0.907314E+00
 107   -0.119317E-03    0.202227E+02  0.590014E-05 0.100000E-04    0.994370E+00
 108   -0.162650E-04    0.168243E+02  0.966756E-06 0.100000E-04    0.965807E+00
 109   -0.759017E-04    0.137775E+02  0.550912E-05 0.100000E-04    0.997377E+00
 110   -0.393230E-02    0.122626E+02  0.100000E-04 0.100000E-04    0.514577E+00
 111   -0.449147E-02    0.984793E+01  0.100000E-04 0.100000E-04    0.790017E+00
 112   -0.404735E-02    0.922408E+01  0.100000E-04 0.100000E-04    0.324771E+00
 113    0.180543E-01    0.734185E+01 -0.138749E-04 0.138749E-04    0.797188E-01
 114    0.590577E+00    0.439957E+01  0.400000E-03 0.400000E-03    0.436966E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1318998419    

 Beginning of optimization cycle  294.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3654153375
 potential> RMS force:                                               0.0555066934   |gradient|=.5926493087    
 Eigenvalues of the Hessian matrix:
   731.22816    673.25611    626.53083    604.37761    588.60665    569.95920 
   566.65933    482.05723    465.85842    461.54963    441.35362    429.94655 
   421.67306    407.67606    397.56773    388.84892    367.66664    362.05805 
   351.09707    336.93810    325.52292    321.50929    320.00600    313.56064 
   304.33253    288.28608    278.96877    270.71157    266.57247    263.94675 
   259.12587    253.84393    242.41906    237.89056    235.47584    228.62334 
   220.90522    213.48900    212.09719    207.60516    203.48370    197.72458 
   195.38203    191.56731    184.64129    175.49727    171.63686    167.56284 
   165.25826    159.36069    153.78843    151.15316    148.91390    143.18346 
   137.03568    135.68978    130.72821    127.90034    126.05987    125.58074 
   119.67312    118.03565    116.95800    111.24867    108.21333    104.86986 
   103.05672     99.83551     96.15276     95.03456     92.46942     90.39429 
    89.81963     84.88533     80.91711     79.72139     78.33949     72.74095 
    72.04558     68.29432     67.02428     63.30286     60.48312     59.70173 
    59.03955     56.01127     52.91682     52.25776     50.12345     47.68692 
    42.93398     40.29757     37.26378     36.03129     35.04291     28.83248 
    28.69465     27.79262     22.93418     21.59887     20.22755     16.82423 
    13.77774     12.26206      9.84875      9.21557      7.33730      4.39527 
overlap for current and previous eigenvector    109 is        -0.9999995527
overlap for current and previous eigenvector    110 is         0.9999994314
overlap for current and previous eigenvector    111 is        -0.9999862383
overlap for current and previous eigenvector    112 is         0.9999808731
overlap for current and previous eigenvector    113 is        -0.9999944595
overlap for current and previous eigenvector    114 is         0.9999997006
J1,K1,R1,R2,RAT=   7   7   -0.7752669004E-02     2.007583316        0.9922473310    
FOB,PFOB,DIAG,PSTEP=   -0.3226825480E-05   -0.3201999337E-05     731.2281560        0.4379304145E-08
J1,K1,R1,R2,RAT=   8   8   -0.8805221496E-02     2.008776183        0.9911947785    
FOB,PFOB,DIAG,PSTEP=   -0.4045383778E-05   -0.4010073678E-05     673.2561096        0.5956324561E-08
J1,K1,R1,R2,RAT=   9   9   -0.1708235591E-01     2.017042398        0.9829176441    
FOB,PFOB,DIAG,PSTEP=    0.1976752189E-06    0.1943551094E-06     626.5308279       -0.3102145718E-09
J1,K1,R1,R2,RAT=  10  10    0.7086272962E-02     1.992929239        0.9929137270    
FOB,PFOB,DIAG,PSTEP=    0.1845177093E-05    0.1858345736E-05     604.3776126       -0.3074785176E-08
J1,K1,R1,R2,RAT=  11  11   -0.8607985433E-02     2.008640132        0.9913920146    
FOB,PFOB,DIAG,PSTEP=   -0.1295346703E-05   -0.1284291716E-05     588.6066531        0.2181883379E-08
J1,K1,R1,R2,RAT= 109 109     1.994642004        0.5318696917E-02    0.9946420035    
FOB,PFOB,DIAG,PSTEP=    0.7549800953E-04   -0.7590171569E-04     13.77774071        0.5509118567E-05
J1,K1,R1,R2,RAT= 110 110   -0.4835642366         64.62119162        0.5164357634    
FOB,PFOB,DIAG,PSTEP=   -0.3991593048E-02   -0.3932298098E-02     12.26206287        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     90.98871905        0.2202703528        0.7797296472    
FOB,PFOB,DIAG,PSTEP=    0.4469777439E-02   -0.4491471309E-02     9.848747012        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8182268996         88.65537635        0.1817731004    
FOB,PFOB,DIAG,PSTEP=   -0.4122750080E-02   -0.4047345829E-02     9.215567340        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     355.4485074       -0.7614318524        0.2385681476    
FOB,PFOB,DIAG,PSTEP=   -0.1813183876E-01    0.1805432178E-01     7.337297275       -0.1387489469E-04
J1,K1,R1,R2,RAT= 114 114    0.9956187468        -672.8271047        0.4381253214E-02
FOB,PFOB,DIAG,PSTEP=    0.5923271257        0.5905767187         4.395274195        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
    -0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00002      0.00003     -0.00002     -0.00002      0.00001     -0.00002 
    -0.00001     -0.00001      0.00000     -0.00002     -0.00000      0.00005 
     0.00002     -0.00003     -0.00006     -0.00002      0.00006      0.00000 
    -0.00001      0.00002     -0.00002      0.00000     -0.00002     -0.00003 
     0.00004      0.00001      0.00004     -0.00000      0.00005      0.00003 
    -0.00000      0.00006      0.00003      0.00004     -0.00003      0.00001 
     0.00004      0.00004      0.00011      0.00011      0.00001      0.00009 
    -0.00000      0.00007     -0.00005      0.00001      0.00012      0.00002 
     0.00008     -0.00399      0.00447     -0.00412     -0.01813      0.59233 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4306832483
 Log product of positive Hessian eigenvalues =          519.9455918120
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3952741952
 Unscaled step for mode    7=        0.0000000044
 Unscaled step for mode    8=        0.0000000060
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000012
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=        0.0000000061
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000112
 Unscaled step for mode   17=       -0.0000000091
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000349
 Unscaled step for mode   20=       -0.0000000202
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000149
 Unscaled step for mode   23=       -0.0000000001
 Unscaled step for mode   24=        0.0000000018
 Unscaled step for mode   25=        0.0000000515
 Unscaled step for mode   26=        0.0000000892
 Unscaled step for mode   27=        0.0000000465
 Unscaled step for mode   28=       -0.0000000316
 Unscaled step for mode   29=       -0.0000000160
 Unscaled step for mode   30=        0.0000000763
 Unscaled step for mode   31=        0.0000000380
 Unscaled step for mode   32=        0.0000000174
 Unscaled step for mode   33=       -0.0000000373
 Unscaled step for mode   34=       -0.0000000301
 Unscaled step for mode   35=       -0.0000000873
 Unscaled step for mode   36=       -0.0000000548
 Unscaled step for mode   37=        0.0000000610
 Unscaled step for mode   38=        0.0000000094
 Unscaled step for mode   39=        0.0000000737
 Unscaled step for mode   40=        0.0000000124
 Unscaled step for mode   41=        0.0000001422
 Unscaled step for mode   42=        0.0000000419
 Unscaled step for mode   43=       -0.0000000503
 Unscaled step for mode   44=        0.0000000947
 Unscaled step for mode   45=       -0.0000000051
 Unscaled step for mode   46=       -0.0000000969
 Unscaled step for mode   47=        0.0000001423
 Unscaled step for mode   48=       -0.0000000182
 Unscaled step for mode   49=        0.0000001105
 Unscaled step for mode   50=        0.0000000484
 Unscaled step for mode   51=        0.0000000766
 Unscaled step for mode   52=        0.0000000124
 Unscaled step for mode   53=       -0.0000000665
 Unscaled step for mode   54=       -0.0000000845
 Unscaled step for mode   55=        0.0000001173
 Unscaled step for mode   56=        0.0000000370
 Unscaled step for mode   57=       -0.0000000519
 Unscaled step for mode   58=        0.0000001441
 Unscaled step for mode   59=        0.0000000080
 Unscaled step for mode   60=        0.0000001408
 Unscaled step for mode   61=       -0.0000001631
 Unscaled step for mode   62=       -0.0000002278
 Unscaled step for mode   63=        0.0000001730
 Unscaled step for mode   64=        0.0000001591
 Unscaled step for mode   65=       -0.0000000756
 Unscaled step for mode   66=        0.0000001988
 Unscaled step for mode   67=        0.0000000440
 Unscaled step for mode   68=        0.0000000737
 Unscaled step for mode   69=       -0.0000000396
 Unscaled step for mode   70=        0.0000002049
 Unscaled step for mode   71=        0.0000000428
 Unscaled step for mode   72=       -0.0000004721
 Unscaled step for mode   73=       -0.0000002389
 Unscaled step for mode   74=        0.0000002965
 Unscaled step for mode   75=        0.0000006205
 Unscaled step for mode   76=        0.0000002282
 Unscaled step for mode   77=       -0.0000006685
 Unscaled step for mode   78=       -0.0000000067
 Unscaled step for mode   79=        0.0000001496
 Unscaled step for mode   80=       -0.0000002405
 Unscaled step for mode   81=        0.0000002458
 Unscaled step for mode   82=       -0.0000000378
 Unscaled step for mode   83=        0.0000001924
 Unscaled step for mode   84=        0.0000004724
 Unscaled step for mode   85=       -0.0000005921
 Unscaled step for mode   86=       -0.0000000742
 Unscaled step for mode   87=       -0.0000006129
 Unscaled step for mode   88=        0.0000000400
 Unscaled step for mode   89=       -0.0000008504
 Unscaled step for mode   90=       -0.0000004618
 Unscaled step for mode   91=        0.0000000227
 Unscaled step for mode   92=       -0.0000010599
 Unscaled step for mode   93=       -0.0000006371
 Unscaled step for mode   94=       -0.0000008097
 Unscaled step for mode   95=        0.0000005457
 Unscaled step for mode   96=       -0.0000002037
 Unscaled step for mode   97=       -0.0000009139
 Unscaled step for mode   98=       -0.0000009184
 Unscaled step for mode   99=       -0.0000030664
 Unscaled step for mode  100=       -0.0000030009
 Unscaled step for mode  101=       -0.0000003669
 Unscaled step for mode  102=       -0.0000032720
 Unscaled step for mode  103=        0.0000000843
 Unscaled step for mode  104=       -0.0000025803
 Unscaled step for mode  105=        0.0000022600
 Unscaled step for mode  106=       -0.0000004306
 Unscaled step for mode  107=       -0.0000059141
 Unscaled step for mode  108=       -0.0000009454
 Unscaled step for mode  109=       -0.0000054797
 Unscaled step for mode  110=        0.0003255237
 Unscaled step for mode  111=       -0.0004538422
 Unscaled step for mode  112=        0.0004473679
 Unscaled step for mode  113=        0.0024711726
 Unscaled step for mode  114=        0.1324020803
 Largest modulus ratio of non-zero e/values=           166.3669031    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.718176E-15    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.576904E-15    0.100721E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.794334E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.266063E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.688820E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.594902E-15    0.973838E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.322683E-05    0.731228E+03  0.441288E-08 0.100000E-04    0.992247E+00
   8   -0.404538E-05    0.673256E+03  0.600868E-08 0.100000E-04    0.991195E+00
   9    0.197675E-06    0.626531E+03 -0.315508E-09 0.100000E-04    0.982918E+00
  10    0.184518E-05    0.604378E+03 -0.305302E-08 0.100000E-04    0.992914E+00
  11   -0.129535E-05    0.588607E+03  0.220070E-08 0.100000E-04    0.991392E+00
  12   -0.710237E-06    0.569959E+03  0.124612E-08 0.100000E-04    0.942196E+00
  13   -0.334897E-05    0.566659E+03  0.591003E-08 0.100000E-04    0.990685E+00
  14   -0.294564E-05    0.482057E+03  0.611057E-08 0.100000E-04    0.986252E+00
  15    0.179784E-05    0.465858E+03 -0.385919E-08 0.100000E-04    0.987603E+00
  16    0.519081E-05    0.461550E+03 -0.112465E-07 0.100000E-04    0.996910E+00
  17    0.402935E-05    0.441354E+03 -0.912952E-08 0.100000E-04    0.998244E+00
  18    0.491376E-05    0.429947E+03 -0.114288E-07 0.100000E-04    0.994681E+00
  19   -0.147187E-04    0.421673E+03  0.349055E-07 0.100000E-04    0.997544E+00
  20    0.824328E-05    0.407676E+03 -0.202202E-07 0.100000E-04    0.998046E+00
  21    0.729884E-05    0.397568E+03 -0.183587E-07 0.100000E-04    0.999626E+00
  22   -0.577572E-05    0.388849E+03  0.148534E-07 0.100000E-04    0.996575E+00
  23    0.238700E-07    0.367667E+03 -0.649230E-10 0.109000E-04    0.285737E-01
  24   -0.655032E-06    0.362058E+03  0.180919E-08 0.100000E-04    0.982925E+00
  25   -0.180944E-04    0.351097E+03  0.515369E-07 0.100000E-04    0.996572E+00
  26   -0.300437E-04    0.336938E+03  0.891667E-07 0.100000E-04    0.997855E+00
  27   -0.151380E-04    0.325523E+03  0.465035E-07 0.100000E-04    0.996449E+00
  28    0.101670E-04    0.321509E+03 -0.316226E-07 0.100000E-04    0.989025E+00
  29    0.511633E-05    0.320006E+03 -0.159882E-07 0.100000E-04    0.986860E+00
  30   -0.239264E-04    0.313561E+03  0.763056E-07 0.100000E-04    0.997904E+00
  31   -0.115669E-04    0.304333E+03  0.380074E-07 0.100000E-04    0.991564E+00
  32   -0.502110E-05    0.288286E+03  0.174171E-07 0.100000E-04    0.998625E+00
  33    0.104105E-04    0.278969E+03 -0.373177E-07 0.100000E-04    0.999252E+00
  34    0.814301E-05    0.270712E+03 -0.300800E-07 0.100000E-04    0.995613E+00
  35    0.232754E-04    0.266572E+03 -0.873135E-07 0.100000E-04    0.998591E+00
  36    0.144635E-04    0.263947E+03 -0.547969E-07 0.100000E-04    0.995049E+00
  37   -0.158156E-04    0.259126E+03  0.610345E-07 0.100000E-04    0.995960E+00
  38   -0.237745E-05    0.253844E+03  0.936580E-08 0.100000E-04    0.990996E+00
  39   -0.178575E-04    0.242419E+03  0.736637E-07 0.100000E-04    0.998389E+00
  40   -0.294036E-05    0.237891E+03  0.123601E-07 0.100000E-04    0.924740E+00
  41   -0.334795E-04    0.235476E+03  0.142178E-06 0.100000E-04    0.996019E+00
  42   -0.958131E-05    0.228623E+03  0.419087E-07 0.100000E-04    0.995725E+00
  43    0.111204E-04    0.220905E+03 -0.503401E-07 0.100000E-04    0.991549E+00
  44   -0.202071E-04    0.213489E+03  0.946515E-07 0.100000E-04    0.993719E+00
  45    0.108574E-05    0.212097E+03 -0.511906E-08 0.100000E-04    0.942522E+00
  46    0.201214E-04    0.207605E+03 -0.969214E-07 0.100000E-04    0.994531E+00
  47   -0.289594E-04    0.203484E+03  0.142318E-06 0.100000E-04    0.998385E+00
  48    0.360014E-05    0.197725E+03 -0.182079E-07 0.100000E-04    0.989059E+00
  49   -0.215805E-04    0.195382E+03  0.110453E-06 0.100000E-04    0.994860E+00
  50   -0.927055E-05    0.191567E+03  0.483932E-07 0.100000E-04    0.994887E+00
  51   -0.141522E-04    0.184641E+03  0.766471E-07 0.100000E-04    0.993818E+00
  52   -0.217924E-05    0.175497E+03  0.124175E-07 0.100000E-04    0.981568E+00
  53    0.114130E-04    0.171637E+03 -0.664953E-07 0.100000E-04    0.995662E+00
  54    0.141569E-04    0.167563E+03 -0.844870E-07 0.100000E-04    0.991848E+00
  55   -0.193815E-04    0.165258E+03  0.117280E-06 0.100000E-04    0.998835E+00
  56   -0.589849E-05    0.159361E+03  0.370135E-07 0.100000E-04    0.991425E+00
  57    0.798314E-05    0.153788E+03 -0.519099E-07 0.100000E-04    0.990774E+00
  58   -0.217838E-04    0.151153E+03  0.144117E-06 0.100000E-04    0.997271E+00
  59   -0.118522E-05    0.148914E+03  0.795913E-08 0.100000E-04    0.979913E+00
  60   -0.201534E-04    0.143183E+03  0.140752E-06 0.100000E-04    0.995008E+00
  61    0.223506E-04    0.137036E+03 -0.163101E-06 0.100000E-04    0.995675E+00
  62    0.309069E-04    0.135690E+03 -0.227776E-06 0.100000E-04    0.998718E+00
  63   -0.226124E-04    0.130728E+03  0.172972E-06 0.100000E-04    0.998836E+00
  64   -0.203523E-04    0.127900E+03  0.159126E-06 0.100000E-04    0.991876E+00
  65    0.953470E-05    0.126060E+03 -0.756363E-07 0.100000E-04    0.974938E+00
  66   -0.249669E-04    0.125581E+03  0.198811E-06 0.100000E-04    0.996226E+00
  67   -0.526702E-05    0.119673E+03  0.440117E-07 0.100000E-04    0.989797E+00
  68   -0.869532E-05    0.118036E+03  0.736669E-07 0.100000E-04    0.998189E+00
  69    0.463501E-05    0.116958E+03 -0.396297E-07 0.100000E-04    0.997685E+00
  70   -0.227924E-04    0.111249E+03  0.204878E-06 0.100000E-04    0.994606E+00
  71   -0.463429E-05    0.108213E+03  0.428255E-07 0.100000E-04    0.996765E+00
  72    0.495089E-04    0.104870E+03 -0.472099E-06 0.100000E-04    0.997344E+00
  73    0.246199E-04    0.103057E+03 -0.238897E-06 0.100000E-04    0.995744E+00
  74   -0.295994E-04    0.998355E+02  0.296482E-06 0.100000E-04    0.997789E+00
  75   -0.596656E-04    0.961528E+02  0.620529E-06 0.100000E-04    0.993352E+00
  76   -0.216893E-04    0.950346E+02  0.228226E-06 0.100000E-04    0.987896E+00
  77    0.618121E-04    0.924694E+02 -0.668459E-06 0.100000E-04    0.999680E+00
  78    0.608857E-06    0.903943E+02 -0.673557E-08 0.100000E-04    0.865969E+00
  79   -0.134353E-04    0.898196E+02  0.149580E-06 0.100000E-04    0.983097E+00
  80    0.204183E-04    0.848853E+02 -0.240540E-06 0.100000E-04    0.995396E+00
  81   -0.198893E-04    0.809171E+02  0.245799E-06 0.100000E-04    0.998429E+00
  82    0.301472E-05    0.797214E+02 -0.378157E-07 0.100000E-04    0.944203E+00
  83   -0.150754E-04    0.783395E+02  0.192437E-06 0.100000E-04    0.991777E+00
  84   -0.343649E-04    0.727410E+02  0.472429E-06 0.100000E-04    0.997648E+00
  85    0.426596E-04    0.720456E+02 -0.592120E-06 0.100000E-04    0.999566E+00
  86    0.506758E-05    0.682943E+02 -0.742021E-07 0.100000E-04    0.948672E+00
  87    0.410779E-04    0.670243E+02 -0.612882E-06 0.100000E-04    0.996945E+00
  88   -0.253426E-05    0.633029E+02  0.400339E-07 0.100000E-04    0.987312E+00
  89    0.514369E-04    0.604831E+02 -0.850435E-06 0.100000E-04    0.997689E+00
  90    0.275693E-04    0.597017E+02 -0.461784E-06 0.100000E-04    0.997606E+00
  91   -0.133958E-05    0.590396E+02  0.226895E-07 0.100000E-04    0.948326E+00
  92    0.593673E-04    0.560113E+02 -0.105992E-05 0.100000E-04    0.996976E+00
  93    0.337124E-04    0.529168E+02 -0.637083E-06 0.100000E-04    0.993899E+00
  94    0.423133E-04    0.522578E+02 -0.809703E-06 0.100000E-04    0.999008E+00
  95   -0.273531E-04    0.501234E+02  0.545714E-06 0.100000E-04    0.991210E+00
  96    0.971510E-05    0.476869E+02 -0.203727E-06 0.100000E-04    0.999376E+00
  97    0.392383E-04    0.429340E+02 -0.913921E-06 0.100000E-04    0.999779E+00
  98    0.370099E-04    0.402976E+02 -0.918415E-06 0.100000E-04    0.995739E+00
  99    0.114266E-03    0.372638E+02 -0.306642E-05 0.100000E-04    0.998787E+00
 100    0.108125E-03    0.360313E+02 -0.300086E-05 0.100000E-04    0.998606E+00
 101    0.128587E-04    0.350429E+02 -0.366941E-06 0.100000E-04    0.990405E+00
 102    0.943391E-04    0.288325E+02 -0.327197E-05 0.100000E-04    0.999767E+00
 103   -0.241873E-05    0.286947E+02  0.842919E-07 0.100000E-04    0.737128E+00
 104    0.717133E-04    0.277926E+02 -0.258030E-05 0.100000E-04    0.998590E+00
 105   -0.518319E-04    0.229342E+02  0.226003E-05 0.100000E-04    0.993902E+00
 106    0.930133E-05    0.215989E+02 -0.430640E-06 0.100000E-04    0.954240E+00
 107    0.119627E-03    0.202276E+02 -0.591406E-05 0.100000E-04    0.997402E+00
 108    0.159055E-04    0.168242E+02 -0.945395E-06 0.100000E-04    0.977897E+00
 109    0.754980E-04    0.137777E+02 -0.547971E-05 0.100000E-04    0.994642E+00
 110   -0.399159E-02    0.122621E+02  0.100000E-04 0.100000E-04    0.516436E+00
 111    0.446978E-02    0.984875E+01 -0.100000E-04 0.100000E-04    0.779730E+00
 112   -0.412275E-02    0.921557E+01  0.109000E-04 0.109000E-04    0.181773E+00
 113   -0.181318E-01    0.733730E+01  0.124999E-04 0.124999E-04    0.238568E+00
 114    0.592327E+00    0.439527E+01  0.400000E-03 0.400000E-03    0.438125E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1324020803    

 Beginning of optimization cycle  295.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3651784107
 potential> RMS force:                                               0.0556706981   |gradient|=.5944004005    
 Eigenvalues of the Hessian matrix:
   731.29009    673.26601    626.54339    604.37262    588.59731    570.00167 
   566.66802    482.08155    465.83511    461.54217    441.35438    429.93852 
   421.67800    407.68473    397.56273    388.84880    367.67282    362.04898 
   351.08955    336.91396    325.53344    321.50757    320.01500    313.53370 
   304.32271    288.29406    278.96339    270.71156    266.58102    263.95530 
   259.13781    253.84618    242.41444    237.89860    235.46612    228.62079 
   220.88475    213.49673    212.10257    207.59698    203.48610    197.71910 
   195.37927    191.56640    184.63103    175.48526    171.64293    167.56173 
   165.25271    159.35123    153.79299    151.15766    148.90773    143.18595 
   137.03732    135.69385    130.72654    127.90425    126.06033    125.58210 
   119.67501    118.03662    116.95993    111.24235    108.20371    104.86677 
   103.05784     99.83367     96.14468     95.03107     92.48212     90.39552 
    89.81893     84.88813     80.91712     79.72396     78.33814     72.74179 
    72.05012     68.29416     67.01185     63.30086     60.47344     59.70262 
    59.04074     56.01220     52.91296     52.25855     50.12206     47.68350 
    42.93213     40.30004     37.26793     36.03555     35.03162     28.83193 
    28.69363     27.78437     22.93518     21.59343     20.23243     16.82410 
    13.77802     12.26157      9.84959      9.20712      7.33271      4.39096 
overlap for current and previous eigenvector    109 is         0.9999995595
overlap for current and previous eigenvector    110 is         0.9999994355
overlap for current and previous eigenvector    111 is         0.9999872512
overlap for current and previous eigenvector    112 is         0.9999818703
overlap for current and previous eigenvector    113 is         0.9999944480
overlap for current and previous eigenvector    114 is         0.9999997010
J1,K1,R1,R2,RAT=   7   7   -0.9145946845E-02     2.008976570        0.9908540532    
FOB,PFOB,DIAG,PSTEP=   -0.3256340354E-05   -0.3226825480E-05     731.2900878        0.4412884616E-08
J1,K1,R1,R2,RAT=   8   8   -0.5840433545E-04     2.000028995        0.9999415957    
FOB,PFOB,DIAG,PSTEP=   -0.4045620049E-05   -0.4045383778E-05     673.2660097        0.6008684838E-08
J1,K1,R1,R2,RAT=   9   9    0.9287843490E-01     1.907081453        0.9070814527    
FOB,PFOB,DIAG,PSTEP=    0.1793150857E-06    0.1976752189E-06     626.5433940       -0.3155075697E-09
J1,K1,R1,R2,RAT=  10  10   -0.1322956675E-01     2.013246086        0.9867704333    
FOB,PFOB,DIAG,PSTEP=    0.1869587785E-05    0.1845177093E-05     604.3726206       -0.3053020256E-08
J1,K1,R1,R2,RAT=  11  11    0.8725783388E-03     1.999159177        0.9991274217    
FOB,PFOB,DIAG,PSTEP=   -0.1294216429E-05   -0.1295346703E-05     588.5973076        0.2200700070E-08
J1,K1,R1,R2,RAT= 109 109   -0.2608631220E-02     2.002568216        0.9973913688    
FOB,PFOB,DIAG,PSTEP=    0.7569495998E-04    0.7549800953E-04     13.77801914       -0.5479708982E-05
J1,K1,R1,R2,RAT= 110 110   -0.4920931637         65.59948950        0.5079068363    
FOB,PFOB,DIAG,PSTEP=   -0.4051931374E-02   -0.3991593048E-02     12.26156558        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2177837564         90.54285393        0.7822162436    
FOB,PFOB,DIAG,PSTEP=    0.4448326622E-02    0.4469777439E-02     9.849594611       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6647274544         82.82592132        0.3352725456    
FOB,PFOB,DIAG,PSTEP=   -0.4189460531E-02   -0.4122750080E-02     9.207119187        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9586861376         396.5989521        0.4131386243E-01
FOB,PFOB,DIAG,PSTEP=   -0.1821971022E-01   -0.1813183876E-01     7.332712239        0.1249990513E-04
J1,K1,R1,R2,RAT= 114 114    0.9955890426        -675.4796229        0.4410957392E-02
FOB,PFOB,DIAG,PSTEP=    0.5940757642        0.5923271257         4.390964767        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000      0.00001      0.00001 
    -0.00002     -0.00001      0.00001     -0.00002     -0.00000      0.00002 
     0.00002      0.00003     -0.00002     -0.00002      0.00001     -0.00002 
    -0.00001     -0.00001      0.00000      0.00002     -0.00000      0.00005 
     0.00002     -0.00003      0.00006      0.00002     -0.00006     -0.00000 
     0.00001      0.00002     -0.00002     -0.00000      0.00002      0.00003 
    -0.00004      0.00000      0.00004      0.00000      0.00005      0.00003 
    -0.00000      0.00006      0.00003      0.00004     -0.00003      0.00001 
     0.00004      0.00004      0.00011     -0.00011     -0.00001      0.00009 
     0.00000      0.00007     -0.00005      0.00001      0.00012      0.00002 
     0.00008     -0.00405      0.00445     -0.00419     -0.01822      0.59408 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4305591569
 Log product of positive Hessian eigenvalues =          519.9421664087
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3909647667
 Unscaled step for mode    7=        0.0000000045
 Unscaled step for mode    8=        0.0000000060
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000013
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=        0.0000000061
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000113
 Unscaled step for mode   17=       -0.0000000092
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000350
 Unscaled step for mode   20=       -0.0000000202
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000150
 Unscaled step for mode   23=       -0.0000000001
 Unscaled step for mode   24=        0.0000000019
 Unscaled step for mode   25=        0.0000000517
 Unscaled step for mode   26=        0.0000000895
 Unscaled step for mode   27=        0.0000000466
 Unscaled step for mode   28=       -0.0000000320
 Unscaled step for mode   29=       -0.0000000164
 Unscaled step for mode   30=        0.0000000763
 Unscaled step for mode   31=        0.0000000382
 Unscaled step for mode   32=        0.0000000176
 Unscaled step for mode   33=       -0.0000000376
 Unscaled step for mode   34=       -0.0000000304
 Unscaled step for mode   35=       -0.0000000873
 Unscaled step for mode   36=       -0.0000000551
 Unscaled step for mode   37=        0.0000000613
 Unscaled step for mode   38=        0.0000000092
 Unscaled step for mode   39=        0.0000000739
 Unscaled step for mode   40=        0.0000000134
 Unscaled step for mode   41=        0.0000001428
 Unscaled step for mode   42=        0.0000000422
 Unscaled step for mode   43=       -0.0000000506
 Unscaled step for mode   44=        0.0000000951
 Unscaled step for mode   45=       -0.0000000053
 Unscaled step for mode   46=       -0.0000000974
 Unscaled step for mode   47=        0.0000001424
 Unscaled step for mode   48=       -0.0000000183
 Unscaled step for mode   49=        0.0000001107
 Unscaled step for mode   50=        0.0000000488
 Unscaled step for mode   51=        0.0000000767
 Unscaled step for mode   52=        0.0000000125
 Unscaled step for mode   53=       -0.0000000667
 Unscaled step for mode   54=       -0.0000000848
 Unscaled step for mode   55=        0.0000001174
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=       -0.0000000522
 Unscaled step for mode   58=        0.0000001445
 Unscaled step for mode   59=        0.0000000072
 Unscaled step for mode   60=       -0.0000001408
 Unscaled step for mode   61=       -0.0000001644
 Unscaled step for mode   62=       -0.0000002279
 Unscaled step for mode   63=        0.0000001736
 Unscaled step for mode   64=        0.0000001601
 Unscaled step for mode   65=       -0.0000000776
 Unscaled step for mode   66=        0.0000001988
 Unscaled step for mode   67=        0.0000000442
 Unscaled step for mode   68=        0.0000000738
 Unscaled step for mode   69=       -0.0000000401
 Unscaled step for mode   70=       -0.0000002052
 Unscaled step for mode   71=        0.0000000432
 Unscaled step for mode   72=       -0.0000004750
 Unscaled step for mode   73=       -0.0000002396
 Unscaled step for mode   74=        0.0000002970
 Unscaled step for mode   75=       -0.0000006243
 Unscaled step for mode   76=       -0.0000002247
 Unscaled step for mode   77=        0.0000006676
 Unscaled step for mode   78=        0.0000000073
 Unscaled step for mode   79=       -0.0000001491
 Unscaled step for mode   80=       -0.0000002405
 Unscaled step for mode   81=        0.0000002467
 Unscaled step for mode   82=        0.0000000368
 Unscaled step for mode   83=       -0.0000001915
 Unscaled step for mode   84=       -0.0000004754
 Unscaled step for mode   85=        0.0000005943
 Unscaled step for mode   86=       -0.0000000709
 Unscaled step for mode   87=       -0.0000006136
 Unscaled step for mode   88=       -0.0000000413
 Unscaled step for mode   89=       -0.0000008517
 Unscaled step for mode   90=       -0.0000004669
 Unscaled step for mode   91=        0.0000000242
 Unscaled step for mode   92=       -0.0000010595
 Unscaled step for mode   93=       -0.0000006369
 Unscaled step for mode   94=       -0.0000008143
 Unscaled step for mode   95=        0.0000005467
 Unscaled step for mode   96=       -0.0000002015
 Unscaled step for mode   97=       -0.0000009187
 Unscaled step for mode   98=       -0.0000009230
 Unscaled step for mode   99=       -0.0000030797
 Unscaled step for mode  100=        0.0000029922
 Unscaled step for mode  101=        0.0000003782
 Unscaled step for mode  102=       -0.0000032842
 Unscaled step for mode  103=       -0.0000001006
 Unscaled step for mode  104=       -0.0000026115
 Unscaled step for mode  105=        0.0000022613
 Unscaled step for mode  106=       -0.0000004690
 Unscaled step for mode  107=       -0.0000058817
 Unscaled step for mode  108=       -0.0000009114
 Unscaled step for mode  109=       -0.0000054939
 Unscaled step for mode  110=        0.0003304579
 Unscaled step for mode  111=       -0.0004516253
 Unscaled step for mode  112=        0.0004550239
 Unscaled step for mode  113=        0.0024847010
 Unscaled step for mode  114=        0.1329052182
 Largest modulus ratio of non-zero e/values=           166.5442851    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.875819E-15    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.813802E-15    0.100720E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.111456E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.161549E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.222731E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.878773E-15    0.973840E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.325634E-05    0.731290E+03  0.445287E-08 0.100000E-04    0.990854E+00
   8   -0.404562E-05    0.673266E+03  0.600895E-08 0.100000E-04    0.999942E+00
   9    0.179315E-06    0.626543E+03 -0.286197E-09 0.100000E-04    0.907081E+00
  10    0.186959E-05    0.604373E+03 -0.309344E-08 0.100000E-04    0.986770E+00
  11   -0.129422E-05    0.588597E+03  0.219881E-08 0.100000E-04    0.999127E+00
  12   -0.741634E-06    0.570002E+03  0.130111E-08 0.100000E-04    0.955797E+00
  13   -0.333021E-05    0.566668E+03  0.587682E-08 0.100000E-04    0.994366E+00
  14   -0.292044E-05    0.482082E+03  0.605799E-08 0.100000E-04    0.991345E+00
  15    0.177606E-05    0.465835E+03 -0.381263E-08 0.100000E-04    0.987886E+00
  16    0.522295E-05    0.461542E+03 -0.113163E-07 0.100000E-04    0.993807E+00
  17    0.405303E-05    0.441354E+03 -0.918317E-08 0.100000E-04    0.994121E+00
  18    0.489925E-05    0.429939E+03 -0.113952E-07 0.100000E-04    0.997048E+00
  19   -0.147700E-04    0.421678E+03  0.350268E-07 0.100000E-04    0.996513E+00
  20    0.823368E-05    0.407685E+03 -0.201962E-07 0.100000E-04    0.998793E+00
  21    0.730238E-05    0.397563E+03 -0.183679E-07 0.100000E-04    0.999515E+00
  22   -0.583464E-05    0.388849E+03  0.150049E-07 0.100000E-04    0.989799E+00
  23    0.305996E-07    0.367673E+03 -0.832250E-10 0.100000E-04    0.718081E+00
  24   -0.695682E-06    0.362049E+03  0.192151E-08 0.100000E-04    0.937940E+00
  25   -0.181364E-04    0.351090E+03  0.516574E-07 0.100000E-04    0.997682E+00
  26   -0.301377E-04    0.336914E+03  0.894522E-07 0.100000E-04    0.996869E+00
  27   -0.151667E-04    0.325533E+03  0.465903E-07 0.100000E-04    0.998101E+00
  28    0.102851E-04    0.321508E+03 -0.319901E-07 0.100000E-04    0.988384E+00
  29    0.523308E-05    0.320015E+03 -0.163526E-07 0.100000E-04    0.977183E+00
  30   -0.239369E-04    0.313534E+03  0.763455E-07 0.100000E-04    0.999562E+00
  31   -0.116193E-04    0.304323E+03  0.381810E-07 0.100000E-04    0.995464E+00
  32   -0.507481E-05    0.288294E+03  0.176029E-07 0.100000E-04    0.989303E+00
  33    0.104804E-04    0.278963E+03 -0.375691E-07 0.100000E-04    0.993282E+00
  34    0.822163E-05    0.270712E+03 -0.303705E-07 0.100000E-04    0.990345E+00
  35    0.232783E-04    0.266581E+03 -0.873216E-07 0.100000E-04    0.999875E+00
  36    0.145539E-04    0.263955E+03 -0.551377E-07 0.100000E-04    0.993747E+00
  37   -0.158763E-04    0.259138E+03  0.612658E-07 0.100000E-04    0.996164E+00
  38   -0.233493E-05    0.253846E+03  0.919822E-08 0.100000E-04    0.982099E+00
  39   -0.179066E-04    0.242414E+03  0.738678E-07 0.100000E-04    0.997248E+00
  40   -0.319015E-05    0.237899E+03  0.134097E-07 0.100000E-04    0.915047E+00
  41   -0.336332E-04    0.235466E+03  0.142837E-06 0.100000E-04    0.995408E+00
  42   -0.964108E-05    0.228621E+03  0.421706E-07 0.100000E-04    0.993762E+00
  43    0.111722E-04    0.220885E+03 -0.505794E-07 0.100000E-04    0.995338E+00
  44   -0.203066E-04    0.213497E+03  0.951145E-07 0.100000E-04    0.995072E+00
  45    0.112993E-05    0.212103E+03 -0.532726E-08 0.100000E-04    0.959302E+00
  46    0.202142E-04    0.207597E+03 -0.973724E-07 0.100000E-04    0.995386E+00
  47   -0.289831E-04    0.203486E+03  0.142433E-06 0.100000E-04    0.999182E+00
  48    0.362682E-05    0.197719E+03 -0.183433E-07 0.100000E-04    0.992590E+00
  49   -0.216248E-04    0.195379E+03  0.110681E-06 0.100000E-04    0.997946E+00
  50   -0.935342E-05    0.191566E+03  0.488260E-07 0.100000E-04    0.991061E+00
  51   -0.141634E-04    0.184631E+03  0.767117E-07 0.100000E-04    0.999214E+00
  52   -0.219207E-05    0.175485E+03  0.124914E-07 0.100000E-04    0.994114E+00
  53    0.114423E-04    0.171643E+03 -0.666633E-07 0.100000E-04    0.997438E+00
  54    0.142066E-04    0.167562E+03 -0.847841E-07 0.100000E-04    0.996490E+00
  55   -0.194038E-04    0.165253E+03  0.117419E-06 0.100000E-04    0.998851E+00
  56   -0.594868E-05    0.159351E+03  0.373306E-07 0.100000E-04    0.991491E+00
  57    0.802393E-05    0.153793E+03 -0.521736E-07 0.100000E-04    0.994890E+00
  58   -0.218484E-04    0.151158E+03  0.144540E-06 0.100000E-04    0.997035E+00
  59   -0.107875E-05    0.148908E+03  0.724440E-08 0.100000E-04    0.910159E+00
  60    0.201673E-04    0.143186E+03 -0.140847E-06 0.100000E-04    0.999311E+00
  61    0.225236E-04    0.137037E+03 -0.164361E-06 0.100000E-04    0.992261E+00
  62    0.309284E-04    0.135694E+03 -0.227928E-06 0.100000E-04    0.999304E+00
  63   -0.226948E-04    0.130727E+03  0.173605E-06 0.100000E-04    0.996355E+00
  64   -0.204783E-04    0.127904E+03  0.160107E-06 0.100000E-04    0.993808E+00
  65    0.978065E-05    0.126060E+03 -0.775870E-07 0.100000E-04    0.974206E+00
  66   -0.249658E-04    0.125582E+03  0.198800E-06 0.100000E-04    0.999934E+00
  67   -0.528829E-05    0.119675E+03  0.441887E-07 0.100000E-04    0.995961E+00
  68   -0.871488E-05    0.118037E+03  0.738320E-07 0.100000E-04    0.997750E+00
  69    0.468699E-05    0.116960E+03 -0.400735E-07 0.100000E-04    0.988784E+00
  70    0.228250E-04    0.111242E+03 -0.205182E-06 0.100000E-04    0.998569E+00
  71   -0.467077E-05    0.108204E+03  0.431664E-07 0.100000E-04    0.992129E+00
  72    0.498121E-04    0.104867E+03 -0.475004E-06 0.100000E-04    0.993877E+00
  73    0.246932E-04    0.103058E+03 -0.239605E-06 0.100000E-04    0.997024E+00
  74   -0.296482E-04    0.998337E+02  0.296976E-06 0.100000E-04    0.998352E+00
  75    0.600262E-04    0.961447E+02 -0.624332E-06 0.100000E-04    0.993955E+00
  76    0.213490E-04    0.950311E+02 -0.224653E-06 0.100000E-04    0.984308E+00
  77   -0.617422E-04    0.924821E+02  0.667613E-06 0.100000E-04    0.998596E+00
  78   -0.659415E-06    0.903955E+02  0.729478E-08 0.100000E-04    0.916963E+00
  79    0.133935E-04    0.898189E+02 -0.149116E-06 0.100000E-04    0.996891E+00
  80    0.204172E-04    0.848881E+02 -0.240519E-06 0.100000E-04    0.999881E+00
  81   -0.199630E-04    0.809171E+02  0.246710E-06 0.100000E-04    0.996293E+00
  82   -0.293503E-05    0.797240E+02  0.368149E-07 0.100000E-04    0.973501E+00
  83    0.150040E-04    0.783381E+02 -0.191529E-06 0.100000E-04    0.995261E+00
  84    0.345833E-04    0.727418E+02 -0.475426E-06 0.100000E-04    0.993645E+00
  85   -0.428164E-04    0.720501E+02  0.594258E-06 0.100000E-04    0.996325E+00
  86    0.483922E-05    0.682942E+02 -0.708585E-07 0.100000E-04    0.954937E+00
  87    0.411177E-04    0.670119E+02 -0.613588E-06 0.100000E-04    0.999033E+00
  88    0.261267E-05    0.633009E+02 -0.412739E-07 0.100000E-04    0.969057E+00
  89    0.515066E-04    0.604734E+02 -0.851723E-06 0.100000E-04    0.998646E+00
  90    0.278743E-04    0.597026E+02 -0.466887E-06 0.100000E-04    0.988936E+00
  91   -0.142977E-05    0.590407E+02  0.242166E-07 0.100000E-04    0.932672E+00
  92    0.593435E-04    0.560122E+02 -0.105947E-05 0.100000E-04    0.999566E+00
  93    0.336993E-04    0.529130E+02 -0.636883E-06 0.100000E-04    0.999613E+00
  94    0.425519E-04    0.522585E+02 -0.814257E-06 0.100000E-04    0.994361E+00
  95   -0.273995E-04    0.501221E+02  0.546656E-06 0.100000E-04    0.998301E+00
  96    0.960643E-05    0.476835E+02 -0.201462E-06 0.100000E-04    0.988813E+00
  97    0.394427E-04    0.429321E+02 -0.918722E-06 0.100000E-04    0.994789E+00
  98    0.371978E-04    0.403000E+02 -0.923021E-06 0.100000E-04    0.994924E+00
  99    0.114774E-03    0.372679E+02 -0.307971E-05 0.100000E-04    0.995554E+00
 100   -0.107824E-03    0.360355E+02  0.299217E-05 0.100000E-04    0.996985E+00
 101   -0.132504E-04    0.350316E+02  0.378242E-06 0.100000E-04    0.969526E+00
 102    0.946899E-04    0.288319E+02 -0.328420E-05 0.100000E-04    0.996281E+00
 103    0.288682E-05    0.286936E+02 -0.100608E-06 0.100000E-04    0.806465E+00
 104    0.725591E-04    0.277844E+02 -0.261151E-05 0.100000E-04    0.988203E+00
 105   -0.518638E-04    0.229352E+02  0.226132E-05 0.100000E-04    0.999385E+00
 106    0.101278E-04    0.215934E+02 -0.469024E-06 0.100000E-04    0.911120E+00
 107    0.119000E-03    0.202324E+02 -0.588166E-05 0.100000E-04    0.994279E+00
 108    0.153341E-04    0.168241E+02 -0.911434E-06 0.100000E-04    0.964070E+00
 109    0.756950E-04    0.137780E+02 -0.549389E-05 0.100000E-04    0.997391E+00
 110   -0.405193E-02    0.122616E+02  0.100000E-04 0.100000E-04    0.507907E+00
 111    0.444833E-02    0.984959E+01 -0.100000E-04 0.100000E-04    0.782216E+00
 112   -0.418946E-02    0.920712E+01  0.100000E-04 0.100000E-04    0.335273E+00
 113   -0.182197E-01    0.733271E+01  0.136249E-04 0.136249E-04    0.413139E-01
 114    0.594076E+00    0.439096E+01  0.400000E-03 0.400000E-03    0.441096E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1329052182    

 Beginning of optimization cycle  296.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3649408036
 potential> RMS force:                                               0.0558345212   |gradient|=.5961495517    
 Eigenvalues of the Hessian matrix:
   731.35203    673.27575    626.55587    604.36774    588.58783    570.04430 
   566.67665    482.10587    465.81182    461.53476    441.35516    429.93056 
   421.68300    407.69344    397.55775    388.84872    367.67905    362.03993 
   351.08217    336.89004    325.54405    321.50587    320.02390    313.50684 
   304.31288    288.30210    278.95801    270.71168    266.58965    263.96384 
   259.14997    253.84847    242.40992    237.90687    235.45626    228.61825 
   220.86426    213.50451    212.10800    207.58888    203.48850    197.71361 
   195.37651    191.56545    184.62080    175.47328    171.64897    167.56070 
   165.24712    159.34170    153.79760    151.16220    148.90146    143.18841 
   137.03899    135.69790    130.72484    127.90821    126.06082    125.58336 
   119.67689    118.03758    116.96183    111.23602    108.19409    104.86365 
   103.05894     99.83185     96.13664     95.02748     92.49485     90.39689 
    89.81805     84.89092     80.91712     79.72654     78.33678     72.74263 
    72.05465     68.29392     66.99940     63.29881     60.46374     59.70350 
    59.04186     56.01308     52.90907     52.25933     50.12066     47.68001 
    42.93030     40.30250     37.27206     36.03968     35.02027     28.83137 
    28.69261     27.77610     22.93623     21.58796     20.23727     16.82396 
    13.77830     12.26108      9.85048      9.19864      7.32807      4.38664 
overlap for current and previous eigenvector    109 is         0.9999995590
overlap for current and previous eigenvector    110 is         0.9999994365
overlap for current and previous eigenvector    111 is        -0.9999879071
overlap for current and previous eigenvector    112 is        -0.9999824562
overlap for current and previous eigenvector    113 is         0.9999943826
overlap for current and previous eigenvector    114 is         0.9999997029
J1,K1,R1,R2,RAT=   7   7   -0.7666982634E-02     2.007497578        0.9923330174    
FOB,PFOB,DIAG,PSTEP=   -0.3281308774E-05   -0.3256340354E-05     731.3520349        0.4452870904E-08
J1,K1,R1,R2,RAT=   8   8   -0.8681709978E-02     2.008652785        0.9913182900    
FOB,PFOB,DIAG,PSTEP=   -0.4080743457E-05   -0.4045620049E-05     673.2757470        0.6008947416E-08
J1,K1,R1,R2,RAT=   9   9   -0.1771520171E-01     2.017675381        0.9822847983    
FOB,PFOB,DIAG,PSTEP=    0.1824917518E-06    0.1793150857E-06     626.5558688       -0.2861973926E-09
J1,K1,R1,R2,RAT=  10  10    0.6946869855E-02     1.993069286        0.9930531301    
FOB,PFOB,DIAG,PSTEP=    0.1856600107E-05    0.1869587785E-05     604.3677386       -0.3093435609E-08
J1,K1,R1,R2,RAT=  11  11   -0.8610594681E-02     2.008642800        0.9913894053    
FOB,PFOB,DIAG,PSTEP=   -0.1305360223E-05   -0.1294216429E-05     588.5878298        0.2198814728E-08
J1,K1,R1,R2,RAT= 109 109    0.5347764665E-02     1.994611805        0.9946118054    
FOB,PFOB,DIAG,PSTEP=    0.7529015296E-04    0.7569495998E-04     13.77829766       -0.5493892789E-05
J1,K1,R1,R2,RAT= 110 110   -0.4902020068         66.58440424        0.5097979932    
FOB,PFOB,DIAG,PSTEP=   -0.4112035433E-02   -0.4051931374E-02     12.26107960        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     90.08937779        0.2275746743        0.7724253257    
FOB,PFOB,DIAG,PSTEP=   -0.4425909425E-02    0.4448326622E-02     9.850479895       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     91.89538125       -0.8066902713        0.1933097287    
FOB,PFOB,DIAG,PSTEP=    0.4263665068E-02   -0.4189460531E-02     9.198640327        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7966972238         365.7596752        0.2033027762    
FOB,PFOB,DIAG,PSTEP=   -0.1829925578E-01   -0.1821971022E-01     7.328067052        0.1362489659E-04
J1,K1,R1,R2,RAT= 114 114    0.9955771943        -678.1378578        0.4422805723E-02
FOB,PFOB,DIAG,PSTEP=    0.5958226594        0.5940757642         4.386639125        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000      0.00001      0.00001 
    -0.00002      0.00001      0.00001     -0.00002     -0.00000     -0.00002 
    -0.00002     -0.00003      0.00002      0.00002      0.00001      0.00002 
    -0.00001     -0.00001      0.00000      0.00002      0.00000     -0.00005 
    -0.00002      0.00003      0.00006     -0.00002     -0.00006     -0.00000 
     0.00001     -0.00002     -0.00002      0.00000      0.00002     -0.00003 
    -0.00004      0.00000     -0.00004     -0.00000     -0.00005     -0.00003 
     0.00000     -0.00006     -0.00003      0.00004      0.00003      0.00001 
    -0.00004     -0.00004     -0.00011     -0.00011      0.00001      0.00009 
     0.00000     -0.00007     -0.00005     -0.00001     -0.00012     -0.00001 
     0.00008     -0.00411     -0.00443      0.00426     -0.01830      0.59582 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4304386015
 Log product of positive Hessian eigenvalues =          519.9387138134
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3866391249
 Unscaled step for mode    7=        0.0000000045
 Unscaled step for mode    8=        0.0000000061
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000014
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=        0.0000000060
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000114
 Unscaled step for mode   17=       -0.0000000092
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000351
 Unscaled step for mode   20=       -0.0000000202
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000151
 Unscaled step for mode   23=       -0.0000000001
 Unscaled step for mode   24=        0.0000000020
 Unscaled step for mode   25=        0.0000000518
 Unscaled step for mode   26=        0.0000000896
 Unscaled step for mode   27=        0.0000000468
 Unscaled step for mode   28=       -0.0000000323
 Unscaled step for mode   29=       -0.0000000166
 Unscaled step for mode   30=        0.0000000765
 Unscaled step for mode   31=        0.0000000385
 Unscaled step for mode   32=        0.0000000176
 Unscaled step for mode   33=       -0.0000000376
 Unscaled step for mode   34=       -0.0000000305
 Unscaled step for mode   35=       -0.0000000874
 Unscaled step for mode   36=       -0.0000000554
 Unscaled step for mode   37=        0.0000000615
 Unscaled step for mode   38=        0.0000000091
 Unscaled step for mode   39=        0.0000000740
 Unscaled step for mode   40=        0.0000000143
 Unscaled step for mode   41=        0.0000001434
 Unscaled step for mode   42=        0.0000000424
 Unscaled step for mode   43=       -0.0000000510
 Unscaled step for mode   44=        0.0000000957
 Unscaled step for mode   45=       -0.0000000050
 Unscaled step for mode   46=       -0.0000000979
 Unscaled step for mode   47=        0.0000001427
 Unscaled step for mode   48=       -0.0000000185
 Unscaled step for mode   49=        0.0000001112
 Unscaled step for mode   50=        0.0000000486
 Unscaled step for mode   51=        0.0000000772
 Unscaled step for mode   52=       -0.0000000127
 Unscaled step for mode   53=       -0.0000000669
 Unscaled step for mode   54=       -0.0000000855
 Unscaled step for mode   55=        0.0000001176
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000526
 Unscaled step for mode   58=        0.0000001449
 Unscaled step for mode   59=        0.0000000071
 Unscaled step for mode   60=        0.0000001415
 Unscaled step for mode   61=        0.0000001651
 Unscaled step for mode   62=        0.0000002276
 Unscaled step for mode   63=       -0.0000001734
 Unscaled step for mode   64=       -0.0000001614
 Unscaled step for mode   65=       -0.0000000795
 Unscaled step for mode   66=       -0.0000001980
 Unscaled step for mode   67=        0.0000000446
 Unscaled step for mode   68=        0.0000000740
 Unscaled step for mode   69=       -0.0000000402
 Unscaled step for mode   70=       -0.0000002063
 Unscaled step for mode   71=       -0.0000000433
 Unscaled step for mode   72=        0.0000004763
 Unscaled step for mode   73=        0.0000002406
 Unscaled step for mode   74=       -0.0000002963
 Unscaled step for mode   75=       -0.0000006285
 Unscaled step for mode   76=        0.0000002217
 Unscaled step for mode   77=        0.0000006677
 Unscaled step for mode   78=        0.0000000061
 Unscaled step for mode   79=       -0.0000001466
 Unscaled step for mode   80=        0.0000002416
 Unscaled step for mode   81=        0.0000002471
 Unscaled step for mode   82=       -0.0000000346
 Unscaled step for mode   83=       -0.0000001931
 Unscaled step for mode   84=        0.0000004765
 Unscaled step for mode   85=        0.0000005940
 Unscaled step for mode   86=       -0.0000000669
 Unscaled step for mode   87=        0.0000006155
 Unscaled step for mode   88=        0.0000000418
 Unscaled step for mode   89=        0.0000008537
 Unscaled step for mode   90=        0.0000004681
 Unscaled step for mode   91=       -0.0000000254
 Unscaled step for mode   92=        0.0000010626
 Unscaled step for mode   93=        0.0000006330
 Unscaled step for mode   94=       -0.0000008151
 Unscaled step for mode   95=       -0.0000005418
 Unscaled step for mode   96=       -0.0000002013
 Unscaled step for mode   97=        0.0000009190
 Unscaled step for mode   98=        0.0000009269
 Unscaled step for mode   99=        0.0000030830
 Unscaled step for mode  100=        0.0000029883
 Unscaled step for mode  101=       -0.0000003818
 Unscaled step for mode  102=       -0.0000032850
 Unscaled step for mode  103=       -0.0000001180
 Unscaled step for mode  104=        0.0000026089
 Unscaled step for mode  105=        0.0000022750
 Unscaled step for mode  106=        0.0000004490
 Unscaled step for mode  107=        0.0000058953
 Unscaled step for mode  108=        0.0000008900
 Unscaled step for mode  109=       -0.0000054644
 Unscaled step for mode  110=        0.0003353730
 Unscaled step for mode  111=        0.0004493089
 Unscaled step for mode  112=       -0.0004635103
 Unscaled step for mode  113=        0.0024971308
 Unscaled step for mode  114=        0.1334092402
 Largest modulus ratio of non-zero e/values=           166.7226353    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.683698E-15    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.140523E-14    0.100720E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.166465E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.795262E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.293602E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.160324E-14    0.973842E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.328131E-05    0.731352E+03  0.448663E-08 0.100000E-04    0.992333E+00
   8   -0.408074E-05    0.673276E+03  0.606103E-08 0.100000E-04    0.991318E+00
   9    0.182492E-06    0.626556E+03 -0.291262E-09 0.100000E-04    0.982285E+00
  10    0.185660E-05    0.604368E+03 -0.307197E-08 0.100000E-04    0.993053E+00
  11   -0.130536E-05    0.588588E+03  0.221778E-08 0.100000E-04    0.991389E+00
  12   -0.780255E-06    0.570044E+03  0.136876E-08 0.100000E-04    0.947928E+00
  13   -0.336065E-05    0.566677E+03  0.593046E-08 0.100000E-04    0.990859E+00
  14   -0.287962E-05    0.482106E+03  0.597300E-08 0.100000E-04    0.985920E+00
  15    0.179805E-05    0.465812E+03 -0.386005E-08 0.100000E-04    0.987614E+00
  16    0.523899E-05    0.461535E+03 -0.113512E-07 0.100000E-04    0.996930E+00
  17    0.406001E-05    0.441355E+03 -0.919897E-08 0.100000E-04    0.998278E+00
  18    0.492500E-05    0.429931E+03 -0.114553E-07 0.100000E-04    0.994743E+00
  19   -0.148062E-04    0.421683E+03  0.351121E-07 0.100000E-04    0.997552E+00
  20    0.821769E-05    0.407693E+03 -0.201565E-07 0.100000E-04    0.998015E+00
  21    0.729945E-05    0.397558E+03 -0.183607E-07 0.100000E-04    0.999599E+00
  22   -0.585446E-05    0.388849E+03  0.150559E-07 0.100000E-04    0.996603E+00
  23    0.422290E-07    0.367679E+03 -0.114853E-09 0.100000E-04    0.619954E+00
  24   -0.707152E-06    0.362040E+03  0.195324E-08 0.100000E-04    0.983513E+00
  25   -0.181981E-04    0.351082E+03  0.518344E-07 0.100000E-04    0.996595E+00
  26   -0.302015E-04    0.336890E+03  0.896480E-07 0.100000E-04    0.997882E+00
  27   -0.152197E-04    0.325544E+03  0.467515E-07 0.100000E-04    0.996508E+00
  28    0.103946E-04    0.321506E+03 -0.323310E-07 0.100000E-04    0.989349E+00
  29    0.530269E-05    0.320024E+03 -0.165697E-07 0.100000E-04    0.986698E+00
  30   -0.239854E-04    0.313507E+03  0.765069E-07 0.100000E-04    0.997972E+00
  31   -0.117164E-04    0.304313E+03  0.385013E-07 0.100000E-04    0.991644E+00
  32   -0.508197E-05    0.288302E+03  0.176272E-07 0.100000E-04    0.998589E+00
  33    0.104885E-04    0.278958E+03 -0.375989E-07 0.100000E-04    0.999226E+00
  34    0.825789E-05    0.270712E+03 -0.305044E-07 0.100000E-04    0.995589E+00
  35    0.233102E-04    0.266590E+03 -0.874385E-07 0.100000E-04    0.998629E+00
  36    0.146244E-04    0.263964E+03 -0.554032E-07 0.100000E-04    0.995153E+00
  37   -0.159398E-04    0.259150E+03  0.615079E-07 0.100000E-04    0.996002E+00
  38   -0.231236E-05    0.253848E+03  0.910923E-08 0.100000E-04    0.990316E+00
  39   -0.179355E-04    0.242410E+03  0.739885E-07 0.100000E-04    0.998384E+00
  40   -0.339375E-05    0.237907E+03  0.142650E-07 0.100000E-04    0.936182E+00
  41   -0.337636E-04    0.235456E+03  0.143396E-06 0.100000E-04    0.996125E+00
  42   -0.968227E-05    0.228618E+03  0.423513E-07 0.100000E-04    0.995727E+00
  43    0.112657E-04    0.220864E+03 -0.510073E-07 0.100000E-04    0.991632E+00
  44   -0.204324E-04    0.213505E+03  0.957001E-07 0.100000E-04    0.993807E+00
  45    0.106530E-05    0.212108E+03 -0.502243E-08 0.100000E-04    0.942753E+00
  46    0.203236E-04    0.207589E+03 -0.979034E-07 0.100000E-04    0.994586E+00
  47   -0.290277E-04    0.203488E+03  0.142650E-06 0.100000E-04    0.998463E+00
  48    0.366591E-05    0.197714E+03 -0.185415E-07 0.100000E-04    0.989221E+00
  49   -0.217346E-04    0.195377E+03  0.111245E-06 0.100000E-04    0.994922E+00
  50   -0.930607E-05    0.191565E+03  0.485791E-07 0.100000E-04    0.994938E+00
  51   -0.142497E-04    0.184621E+03  0.771837E-07 0.100000E-04    0.993902E+00
  52    0.223165E-05    0.175473E+03 -0.127179E-07 0.100000E-04    0.981939E+00
  53    0.114916E-04    0.171649E+03 -0.669481E-07 0.100000E-04    0.995694E+00
  54    0.143207E-04    0.167561E+03 -0.854656E-07 0.100000E-04    0.991969E+00
  55   -0.194258E-04    0.165247E+03  0.117556E-06 0.100000E-04    0.998867E+00
  56    0.589767E-05    0.159342E+03 -0.370127E-07 0.100000E-04    0.991424E+00
  57    0.809706E-05    0.153798E+03 -0.526475E-07 0.100000E-04    0.990886E+00
  58   -0.219068E-04    0.151162E+03  0.144922E-06 0.100000E-04    0.997328E+00
  59   -0.105440E-05    0.148901E+03  0.708121E-08 0.100000E-04    0.977431E+00
  60   -0.202664E-04    0.143188E+03  0.141537E-06 0.100000E-04    0.995084E+00
  61   -0.226206E-04    0.137039E+03  0.165067E-06 0.100000E-04    0.995695E+00
  62   -0.308892E-04    0.135698E+03  0.227632E-06 0.100000E-04    0.998671E+00
  63    0.226679E-04    0.130725E+03 -0.173401E-06 0.100000E-04    0.998814E+00
  64    0.206421E-04    0.127908E+03 -0.161382E-06 0.100000E-04    0.992002E+00
  65    0.100168E-04    0.126061E+03 -0.794602E-07 0.100000E-04    0.975853E+00
  66    0.248658E-04    0.125583E+03 -0.198002E-06 0.100000E-04    0.995975E+00
  67   -0.534110E-05    0.119677E+03  0.446294E-07 0.100000E-04    0.990013E+00
  68   -0.873068E-05    0.118038E+03  0.739652E-07 0.100000E-04    0.998188E+00
  69    0.469783E-05    0.116962E+03 -0.401655E-07 0.100000E-04    0.997689E+00
  70    0.229466E-04    0.111236E+03 -0.206288E-06 0.100000E-04    0.994669E+00
  71    0.468587E-05    0.108194E+03 -0.433099E-07 0.100000E-04    0.996766E+00
  72   -0.499443E-04    0.104864E+03  0.476279E-06 0.100000E-04    0.997345E+00
  73   -0.247967E-04    0.103059E+03  0.240607E-06 0.100000E-04    0.995810E+00
  74    0.295823E-04    0.998318E+02 -0.296321E-06 0.100000E-04    0.997777E+00
  75    0.604199E-04    0.961366E+02 -0.628479E-06 0.100000E-04    0.993441E+00
  76   -0.210663E-04    0.950275E+02  0.221686E-06 0.100000E-04    0.986758E+00
  77   -0.617546E-04    0.924949E+02  0.667654E-06 0.100000E-04    0.999801E+00
  78   -0.555233E-06    0.903969E+02  0.614217E-08 0.100000E-04    0.841979E+00
  79    0.131693E-04    0.898181E+02 -0.146622E-06 0.100000E-04    0.983262E+00
  80   -0.205094E-04    0.848909E+02  0.241597E-06 0.100000E-04    0.995484E+00
  81   -0.199944E-04    0.809171E+02  0.247097E-06 0.100000E-04    0.998431E+00
  82    0.275686E-05    0.797265E+02 -0.345789E-07 0.100000E-04    0.939234E+00
  83    0.151260E-04    0.783368E+02 -0.193090E-06 0.100000E-04    0.991867E+00
  84   -0.346653E-04    0.727426E+02  0.476547E-06 0.100000E-04    0.997629E+00
  85   -0.428009E-04    0.720546E+02  0.594007E-06 0.100000E-04    0.999513E+00
  86    0.456779E-05    0.682939E+02 -0.668842E-07 0.100000E-04    0.943909E+00
  87   -0.412399E-04    0.669994E+02  0.615526E-06 0.100000E-04    0.997028E+00
  88   -0.264404E-05    0.632988E+02  0.417708E-07 0.100000E-04    0.987995E+00
  89   -0.516206E-04    0.604637E+02  0.853745E-06 0.100000E-04    0.997786E+00
  90   -0.279498E-04    0.597035E+02  0.468143E-06 0.100000E-04    0.997293E+00
  91    0.149928E-05    0.590419E+02 -0.253936E-07 0.100000E-04    0.951379E+00
  92   -0.595196E-04    0.560131E+02  0.106260E-05 0.100000E-04    0.997034E+00
  93   -0.334913E-04    0.529091E+02  0.632998E-06 0.100000E-04    0.993827E+00
  94    0.425945E-04    0.522593E+02 -0.815060E-06 0.100000E-04    0.998999E+00
  95    0.271569E-04    0.501207E+02 -0.541830E-06 0.100000E-04    0.991144E+00
  96    0.959702E-05    0.476800E+02 -0.201280E-06 0.100000E-04    0.999020E+00
  97   -0.394514E-04    0.429303E+02  0.918964E-06 0.100000E-04    0.999779E+00
  98   -0.373550E-04    0.403025E+02  0.926865E-06 0.100000E-04    0.995774E+00
  99   -0.114909E-03    0.372721E+02  0.308297E-05 0.100000E-04    0.998832E+00
 100   -0.107698E-03    0.360397E+02  0.298831E-05 0.100000E-04    0.998597E+00
 101    0.133720E-04    0.350203E+02 -0.381837E-06 0.100000E-04    0.990819E+00
 102    0.947098E-04    0.288314E+02 -0.328496E-05 0.100000E-04    0.999790E+00
 103    0.338504E-05    0.286926E+02 -0.117976E-06 0.100000E-04    0.827408E+00
 104   -0.724639E-04    0.277761E+02  0.260886E-05 0.100000E-04    0.998688E+00
 105   -0.521799E-04    0.229362E+02  0.227500E-05 0.100000E-04    0.993906E+00
 106   -0.969250E-05    0.215880E+02  0.448977E-06 0.100000E-04    0.957006E+00
 107   -0.119305E-03    0.202373E+02  0.589533E-05 0.100000E-04    0.997436E+00
 108   -0.149726E-04    0.168240E+02  0.889959E-06 0.100000E-04    0.976430E+00
 109    0.752902E-04    0.137783E+02 -0.546440E-05 0.100000E-04    0.994612E+00
 110   -0.411204E-02    0.122611E+02  0.100000E-04 0.100000E-04    0.509798E+00
 111   -0.442591E-02    0.985048E+01  0.100000E-04 0.100000E-04    0.772425E+00
 112    0.426367E-02    0.919864E+01 -0.109000E-04 0.109000E-04    0.193310E+00
 113   -0.182993E-01    0.732807E+01  0.122747E-04 0.122747E-04    0.203303E+00
 114    0.595823E+00    0.438664E+01  0.400000E-03 0.400000E-03    0.442281E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1334092402    

 Beginning of optimization cycle  297.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3647024795
 potential> RMS force:                                               0.0559982029   |gradient|=.5978971943    
 Eigenvalues of the Hessian matrix:
   731.41400    673.28561    626.56839    604.36255    588.57847    570.08679 
   566.68520    482.13028    465.78851    461.52734    441.35595    429.92252 
   421.68789    407.70207    397.55274    388.84854    367.68529    362.03088 
   351.07466    336.86617    325.55469    321.50413    320.03269    313.48004 
   304.30293    288.31014    278.95263    270.71182    266.59823    263.97231 
   259.16200    253.85069    242.40532    237.91524    235.44624    228.61562 
   220.84378    213.51224    212.11342    207.58084    203.49085    197.70806 
   195.37370    191.56452    184.61054    175.46132    171.65501    167.55968 
   165.24149    159.33219    153.80219    151.16679    148.89517    143.19091 
   137.04067    135.70190    130.72319    127.91216    126.06137    125.58454 
   119.67879    118.03855    116.96375    111.22973    108.18454    104.86058 
   103.06003     99.83005     96.12867     95.02379     92.50756     90.39836 
    89.81705     84.89371     80.91711     79.72909     78.33545     72.74353 
    72.05921     68.29376     66.98694     63.29675     60.45412     59.70438 
    59.04302     56.01399     52.90524     52.26013     50.11928     47.67654 
    42.92849     40.30498     37.27624     36.04388     35.00894     28.83083 
    28.69158     27.76786     22.93727     21.58245     20.24215     16.82382 
    13.77858     12.26060      9.85139      9.19023      7.32339      4.38230 
overlap for current and previous eigenvector    109 is         0.9999995657
overlap for current and previous eigenvector    110 is         0.9999994406
overlap for current and previous eigenvector    111 is         0.9999887807
overlap for current and previous eigenvector    112 is         0.9999833176
overlap for current and previous eigenvector    113 is         0.9999943736
overlap for current and previous eigenvector    114 is         0.9999997033
J1,K1,R1,R2,RAT=   7   7   -0.9050590700E-02     2.008881164        0.9909494093    
FOB,PFOB,DIAG,PSTEP=   -0.3311009073E-05   -0.3281308774E-05     731.4139953        0.4486633820E-08
J1,K1,R1,R2,RAT=   8   8   -0.1091301735E-03     2.000079839        0.9998908698    
FOB,PFOB,DIAG,PSTEP=   -0.4081188796E-05   -0.4080743457E-05     673.2856076        0.6061028450E-08
J1,K1,R1,R2,RAT=   9   9    0.1006882957         1.899271731        0.8992717309    
FOB,PFOB,DIAG,PSTEP=    0.1641166011E-06    0.1824917518E-06     626.5683918       -0.2912617389E-09
J1,K1,R1,R2,RAT=  10  10   -0.1314960703E-01     2.013166762        0.9868503930    
FOB,PFOB,DIAG,PSTEP=    0.1881013460E-05    0.1856600107E-05     604.3625548       -0.3071970902E-08
J1,K1,R1,R2,RAT=  11  11    0.8257441278E-03     1.999206075        0.9991742559    
FOB,PFOB,DIAG,PSTEP=   -0.1304282346E-05   -0.1305360223E-05     588.5784659        0.2217783238E-08
J1,K1,R1,R2,RAT= 109 109   -0.2593742988E-02     2.002552209        0.9974062570    
FOB,PFOB,DIAG,PSTEP=    0.7548544032E-04    0.7529015296E-04     13.77858380       -0.5464401684E-05
J1,K1,R1,R2,RAT= 110 110   -0.4986490716         67.57590256        0.5013509284    
FOB,PFOB,DIAG,PSTEP=   -0.4173172779E-02   -0.4112035433E-02     12.26059571        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2248500148         89.62865201        0.7751499852    
FOB,PFOB,DIAG,PSTEP=   -0.4403758573E-02   -0.4425909425E-02     9.851389930        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6548040529         85.78043314        0.3451959471    
FOB,PFOB,DIAG,PSTEP=    0.4329259065E-02    0.4263665068E-02     9.190227126       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9979367284         408.1355921        0.2063271624E-02
FOB,PFOB,DIAG,PSTEP=   -0.1838896254E-01   -0.1829925578E-01     7.323385839        0.1227468161E-04
J1,K1,R1,R2,RAT= 114 114    0.9955469511        -680.8019834        0.4453048934E-02
FOB,PFOB,DIAG,PSTEP=    0.5975677721        0.5958226594         4.382296397        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000      0.00001      0.00001 
    -0.00002      0.00001      0.00001     -0.00002     -0.00000     -0.00002 
    -0.00002     -0.00003      0.00002      0.00002      0.00001      0.00002 
    -0.00001     -0.00001      0.00000     -0.00002      0.00000     -0.00005 
    -0.00002      0.00003      0.00006     -0.00002      0.00006      0.00000 
    -0.00001     -0.00002     -0.00002      0.00000      0.00002     -0.00003 
    -0.00004      0.00000     -0.00004      0.00000     -0.00005      0.00003 
     0.00000     -0.00006     -0.00003     -0.00004     -0.00003     -0.00001 
    -0.00004     -0.00004     -0.00012     -0.00011      0.00001      0.00010 
     0.00000     -0.00007     -0.00005     -0.00001     -0.00012     -0.00001 
     0.00008     -0.00417     -0.00440      0.00433     -0.01839      0.59757 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4303124573
 Log product of positive Hessian eigenvalues =          519.9352702912
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3822963969
 Unscaled step for mode    7=        0.0000000045
 Unscaled step for mode    8=        0.0000000061
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000014
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=        0.0000000059
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000114
 Unscaled step for mode   17=       -0.0000000093
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000352
 Unscaled step for mode   20=       -0.0000000201
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000152
 Unscaled step for mode   23=       -0.0000000001
 Unscaled step for mode   24=        0.0000000021
 Unscaled step for mode   25=        0.0000000520
 Unscaled step for mode   26=        0.0000000899
 Unscaled step for mode   27=        0.0000000468
 Unscaled step for mode   28=       -0.0000000327
 Unscaled step for mode   29=       -0.0000000169
 Unscaled step for mode   30=        0.0000000765
 Unscaled step for mode   31=        0.0000000387
 Unscaled step for mode   32=        0.0000000178
 Unscaled step for mode   33=       -0.0000000379
 Unscaled step for mode   34=       -0.0000000308
 Unscaled step for mode   35=       -0.0000000874
 Unscaled step for mode   36=       -0.0000000557
 Unscaled step for mode   37=        0.0000000617
 Unscaled step for mode   38=        0.0000000089
 Unscaled step for mode   39=        0.0000000742
 Unscaled step for mode   40=        0.0000000153
 Unscaled step for mode   41=        0.0000001440
 Unscaled step for mode   42=        0.0000000426
 Unscaled step for mode   43=       -0.0000000512
 Unscaled step for mode   44=        0.0000000962
 Unscaled step for mode   45=       -0.0000000052
 Unscaled step for mode   46=       -0.0000000984
 Unscaled step for mode   47=        0.0000001428
 Unscaled step for mode   48=       -0.0000000187
 Unscaled step for mode   49=        0.0000001115
 Unscaled step for mode   50=        0.0000000490
 Unscaled step for mode   51=        0.0000000772
 Unscaled step for mode   52=       -0.0000000128
 Unscaled step for mode   53=       -0.0000000671
 Unscaled step for mode   54=       -0.0000000858
 Unscaled step for mode   55=        0.0000001177
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=       -0.0000000529
 Unscaled step for mode   58=        0.0000001453
 Unscaled step for mode   59=        0.0000000064
 Unscaled step for mode   60=        0.0000001416
 Unscaled step for mode   61=        0.0000001663
 Unscaled step for mode   62=        0.0000002278
 Unscaled step for mode   63=       -0.0000001740
 Unscaled step for mode   64=       -0.0000001624
 Unscaled step for mode   65=       -0.0000000814
 Unscaled step for mode   66=       -0.0000001979
 Unscaled step for mode   67=        0.0000000448
 Unscaled step for mode   68=        0.0000000741
 Unscaled step for mode   69=       -0.0000000406
 Unscaled step for mode   70=        0.0000002066
 Unscaled step for mode   71=       -0.0000000436
 Unscaled step for mode   72=        0.0000004792
 Unscaled step for mode   73=        0.0000002413
 Unscaled step for mode   74=       -0.0000002968
 Unscaled step for mode   75=       -0.0000006323
 Unscaled step for mode   76=        0.0000002179
 Unscaled step for mode   77=       -0.0000006668
 Unscaled step for mode   78=       -0.0000000066
 Unscaled step for mode   79=        0.0000001462
 Unscaled step for mode   80=        0.0000002416
 Unscaled step for mode   81=        0.0000002480
 Unscaled step for mode   82=       -0.0000000336
 Unscaled step for mode   83=       -0.0000001922
 Unscaled step for mode   84=        0.0000004796
 Unscaled step for mode   85=        0.0000005961
 Unscaled step for mode   86=       -0.0000000636
 Unscaled step for mode   87=        0.0000006162
 Unscaled step for mode   88=       -0.0000000430
 Unscaled step for mode   89=        0.0000008549
 Unscaled step for mode   90=       -0.0000004734
 Unscaled step for mode   91=       -0.0000000270
 Unscaled step for mode   92=        0.0000010621
 Unscaled step for mode   93=        0.0000006327
 Unscaled step for mode   94=        0.0000008196
 Unscaled step for mode   95=        0.0000005427
 Unscaled step for mode   96=        0.0000001990
 Unscaled step for mode   97=        0.0000009237
 Unscaled step for mode   98=        0.0000009315
 Unscaled step for mode   99=        0.0000030960
 Unscaled step for mode  100=        0.0000029796
 Unscaled step for mode  101=       -0.0000003931
 Unscaled step for mode  102=       -0.0000032969
 Unscaled step for mode  103=       -0.0000001343
 Unscaled step for mode  104=        0.0000026401
 Unscaled step for mode  105=        0.0000022763
 Unscaled step for mode  106=        0.0000004874
 Unscaled step for mode  107=        0.0000058625
 Unscaled step for mode  108=        0.0000008562
 Unscaled step for mode  109=       -0.0000054785
 Unscaled step for mode  110=        0.0003403727
 Unscaled step for mode  111=        0.0004470189
 Unscaled step for mode  112=       -0.0004710719
 Unscaled step for mode  113=        0.0025109761
 Unscaled step for mode  114=        0.1339141704
 Largest modulus ratio of non-zero e/values=           166.9019914    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.381639E-16    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.535054E-15    0.100720E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.476507E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.119262E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.912901E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.713378E-15    0.973843E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.331101E-05    0.731414E+03  0.452686E-08 0.100000E-04    0.990949E+00
   8   -0.408119E-05    0.673286E+03  0.606160E-08 0.100000E-04    0.999891E+00
   9    0.164117E-06    0.626568E+03 -0.261929E-09 0.100000E-04    0.899272E+00
  10    0.188101E-05    0.604363E+03 -0.311239E-08 0.100000E-04    0.986850E+00
  11   -0.130428E-05    0.588578E+03  0.221599E-08 0.100000E-04    0.999174E+00
  12   -0.811759E-06    0.570087E+03  0.142392E-08 0.100000E-04    0.959627E+00
  13   -0.334192E-05    0.566685E+03  0.589730E-08 0.100000E-04    0.994395E+00
  14   -0.285394E-05    0.482130E+03  0.591944E-08 0.100000E-04    0.990983E+00
  15    0.177647E-05    0.465789E+03 -0.381389E-08 0.100000E-04    0.987993E+00
  16    0.527103E-05    0.461527E+03 -0.114208E-07 0.100000E-04    0.993884E+00
  17    0.408346E-05    0.441356E+03 -0.925209E-08 0.100000E-04    0.994224E+00
  18    0.491052E-05    0.429923E+03 -0.114219E-07 0.100000E-04    0.997060E+00
  19   -0.148574E-04    0.421688E+03  0.352331E-07 0.100000E-04    0.996543E+00
  20    0.820759E-05    0.407702E+03 -0.201313E-07 0.100000E-04    0.998729E+00
  21    0.730250E-05    0.397553E+03 -0.183686E-07 0.100000E-04    0.999582E+00
  22   -0.591339E-05    0.388849E+03  0.152074E-07 0.100000E-04    0.989935E+00
  23    0.488784E-07    0.367685E+03 -0.132935E-09 0.100000E-04    0.842543E+00
  24   -0.747999E-06    0.362031E+03  0.206612E-08 0.100000E-04    0.942235E+00
  25   -0.182399E-04    0.351075E+03  0.519545E-07 0.100000E-04    0.997705E+00
  26   -0.302947E-04    0.336866E+03  0.899310E-07 0.100000E-04    0.996914E+00
  27   -0.152479E-04    0.325555E+03  0.468367E-07 0.100000E-04    0.998145E+00
  28    0.105118E-04    0.321504E+03 -0.326958E-07 0.100000E-04    0.988724E+00
  29    0.542254E-05    0.320033E+03 -0.169437E-07 0.100000E-04    0.977399E+00
  30   -0.239949E-04    0.313480E+03  0.765437E-07 0.100000E-04    0.999605E+00
  31   -0.117695E-04    0.304303E+03  0.386768E-07 0.100000E-04    0.995473E+00
  32   -0.513568E-05    0.288310E+03  0.178130E-07 0.100000E-04    0.989432E+00
  33    0.105584E-04    0.278953E+03 -0.378502E-07 0.100000E-04    0.993335E+00
  34    0.833700E-05    0.270712E+03 -0.307966E-07 0.100000E-04    0.990420E+00
  35    0.233125E-04    0.266598E+03 -0.874443E-07 0.100000E-04    0.999901E+00
  36    0.147144E-04    0.263972E+03 -0.557422E-07 0.100000E-04    0.993849E+00
  37   -0.160002E-04    0.259162E+03  0.617383E-07 0.100000E-04    0.996208E+00
  38   -0.226921E-05    0.253851E+03  0.893917E-08 0.100000E-04    0.981322E+00
  39   -0.179844E-04    0.242405E+03  0.741914E-07 0.100000E-04    0.997277E+00
  40   -0.364154E-05    0.237915E+03  0.153061E-07 0.100000E-04    0.926988E+00
  41   -0.339146E-04    0.235446E+03  0.144044E-06 0.100000E-04    0.995527E+00
  42   -0.974249E-05    0.228616E+03  0.426152E-07 0.100000E-04    0.993780E+00
  43    0.113179E-04    0.220844E+03 -0.512483E-07 0.100000E-04    0.995368E+00
  44   -0.205330E-04    0.213512E+03  0.961680E-07 0.100000E-04    0.995075E+00
  45    0.110955E-05    0.212113E+03 -0.523094E-08 0.100000E-04    0.958458E+00
  46    0.204173E-04    0.207581E+03 -0.983583E-07 0.100000E-04    0.995392E+00
  47   -0.290501E-04    0.203491E+03  0.142759E-06 0.100000E-04    0.999228E+00
  48    0.369284E-05    0.197708E+03 -0.186782E-07 0.100000E-04    0.992655E+00
  49   -0.217790E-04    0.195374E+03  0.111474E-06 0.100000E-04    0.997958E+00
  50   -0.938842E-05    0.191565E+03  0.490092E-07 0.100000E-04    0.991151E+00
  51   -0.142609E-04    0.184611E+03  0.772484E-07 0.100000E-04    0.999218E+00
  52    0.224491E-05    0.175461E+03 -0.127943E-07 0.100000E-04    0.994060E+00
  53    0.115210E-04    0.171655E+03 -0.671170E-07 0.100000E-04    0.997442E+00
  54    0.143705E-04    0.167560E+03 -0.857636E-07 0.100000E-04    0.996520E+00
  55   -0.194479E-04    0.165241E+03  0.117694E-06 0.100000E-04    0.998862E+00
  56    0.594756E-05    0.159332E+03 -0.373280E-07 0.100000E-04    0.991540E+00
  57    0.813835E-05    0.153802E+03 -0.529144E-07 0.100000E-04    0.994900E+00
  58   -0.219705E-04    0.151167E+03  0.145339E-06 0.100000E-04    0.997093E+00
  59   -0.948471E-06    0.148895E+03  0.637006E-08 0.100000E-04    0.899530E+00
  60   -0.202806E-04    0.143191E+03  0.141633E-06 0.100000E-04    0.999302E+00
  61   -0.227940E-04    0.137041E+03  0.166330E-06 0.100000E-04    0.992333E+00
  62   -0.309083E-04    0.135702E+03  0.227766E-06 0.100000E-04    0.999380E+00
  63    0.227490E-04    0.130723E+03 -0.174024E-06 0.100000E-04    0.996420E+00
  64    0.207690E-04    0.127912E+03 -0.162369E-06 0.100000E-04    0.993854E+00
  65    0.102661E-04    0.126061E+03 -0.814371E-07 0.100000E-04    0.975117E+00
  66    0.248576E-04    0.125585E+03 -0.197936E-06 0.100000E-04    0.999653E+00
  67   -0.536317E-05    0.119679E+03  0.448130E-07 0.100000E-04    0.995869E+00
  68   -0.874970E-05    0.118039E+03  0.741258E-07 0.100000E-04    0.997821E+00
  69    0.474970E-05    0.116964E+03 -0.406083E-07 0.100000E-04    0.988958E+00
  70   -0.229789E-04    0.111230E+03  0.206589E-06 0.100000E-04    0.998595E+00
  71    0.472218E-05    0.108185E+03 -0.436493E-07 0.100000E-04    0.992251E+00
  72   -0.502475E-04    0.104861E+03  0.479184E-06 0.100000E-04    0.993929E+00
  73   -0.248693E-04    0.103060E+03  0.241309E-06 0.100000E-04    0.997069E+00
  74    0.296294E-04    0.998301E+02 -0.296798E-06 0.100000E-04    0.998409E+00
  75    0.607807E-04    0.961287E+02 -0.632284E-06 0.100000E-04    0.994029E+00
  76   -0.207091E-04    0.950238E+02  0.217936E-06 0.100000E-04    0.983044E+00
  77    0.616801E-04    0.925076E+02 -0.666757E-06 0.100000E-04    0.998519E+00
  78    0.600169E-06    0.903984E+02 -0.663916E-08 0.100000E-04    0.919069E+00
  79   -0.131301E-04    0.898171E+02  0.146187E-06 0.100000E-04    0.997024E+00
  80   -0.205075E-04    0.848937E+02  0.241566E-06 0.100000E-04    0.999840E+00
  81   -0.200678E-04    0.809171E+02  0.248005E-06 0.100000E-04    0.996327E+00
  82    0.267606E-05    0.797291E+02 -0.335644E-07 0.100000E-04    0.970628E+00
  83    0.150543E-04    0.783354E+02 -0.192177E-06 0.100000E-04    0.995256E+00
  84   -0.348842E-04    0.727435E+02  0.479551E-06 0.100000E-04    0.993684E+00
  85   -0.429545E-04    0.720592E+02  0.596100E-06 0.100000E-04    0.996413E+00
  86    0.434175E-05    0.682938E+02 -0.635747E-07 0.100000E-04    0.950516E+00
  87   -0.412768E-04    0.669869E+02  0.616192E-06 0.100000E-04    0.999103E+00
  88    0.272424E-05    0.632967E+02 -0.430391E-07 0.100000E-04    0.969668E+00
  89   -0.516837E-04    0.604541E+02  0.854925E-06 0.100000E-04    0.998777E+00
  90    0.282617E-04    0.597044E+02 -0.473360E-06 0.100000E-04    0.988842E+00
  91    0.159414E-05    0.590430E+02 -0.269997E-07 0.100000E-04    0.936734E+00
  92   -0.594936E-04    0.560140E+02  0.106212E-05 0.100000E-04    0.999531E+00
  93   -0.334733E-04    0.529052E+02  0.632703E-06 0.100000E-04    0.999461E+00
  94   -0.428322E-04    0.522601E+02  0.819596E-06 0.100000E-04    0.994419E+00
  95   -0.272022E-04    0.501193E+02  0.542749E-06 0.100000E-04    0.998333E+00
  96   -0.948719E-05    0.476765E+02  0.198991E-06 0.100000E-04    0.988555E+00
  97   -0.396549E-04    0.429285E+02  0.923744E-06 0.100000E-04    0.994841E+00
  98   -0.375433E-04    0.403050E+02  0.931481E-06 0.100000E-04    0.994959E+00
  99   -0.115406E-03    0.372762E+02  0.309598E-05 0.100000E-04    0.995668E+00
 100   -0.107395E-03    0.360439E+02  0.297956E-05 0.100000E-04    0.996954E+00
 101    0.137614E-04    0.350089E+02 -0.393083E-06 0.100000E-04    0.970872E+00
 102    0.950535E-04    0.288308E+02 -0.329694E-05 0.100000E-04    0.996370E+00
 103    0.385228E-05    0.286916E+02 -0.134265E-06 0.100000E-04    0.861965E+00
 104   -0.733104E-04    0.277679E+02  0.264012E-05 0.100000E-04    0.988315E+00
 105   -0.522122E-04    0.229373E+02  0.227630E-05 0.100000E-04    0.999382E+00
 106   -0.105192E-04    0.215825E+02  0.487395E-06 0.100000E-04    0.914688E+00
 107   -0.118669E-03    0.202422E+02  0.586249E-05 0.100000E-04    0.994189E+00
 108   -0.144054E-04    0.168238E+02  0.856249E-06 0.100000E-04    0.962114E+00
 109    0.754854E-04    0.137786E+02 -0.547846E-05 0.100000E-04    0.997406E+00
 110   -0.417317E-02    0.122606E+02  0.100000E-04 0.100000E-04    0.501351E+00
 111   -0.440376E-02    0.985139E+01  0.100000E-04 0.100000E-04    0.775150E+00
 112    0.432926E-02    0.919023E+01 -0.100000E-04 0.100000E-04    0.345196E+00
 113   -0.183890E-01    0.732339E+01  0.133794E-04 0.133794E-04    0.206327E-02
 114    0.597568E+00    0.438230E+01  0.400000E-03 0.400000E-03    0.445305E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1339141704    

 Beginning of optimization cycle  298.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3644634763
 potential> RMS force:                                               0.0561617021   |gradient|=.5996428886    
 Eigenvalues of the Hessian matrix:
   731.47597    673.29531    626.58082    604.35748    588.56897    570.12943 
   566.69369    482.15468    465.76522    461.51996    441.35676    429.91456 
   421.69284    407.71074    397.54775    388.84841    367.69158    362.02184 
   351.06728    336.84251    325.56540    321.50240    320.04137    313.45332 
   304.29298    288.31824    278.94726    270.71209    266.60689    263.98078 
   259.17425    253.85293    242.40081    237.92382    235.43609    228.61299 
   220.82327    213.52001    212.11887    207.57289    203.49320    197.70251 
   195.37090    191.56354    184.60030    175.44940    171.66104    167.55873 
   165.23581    159.32261    153.80684    151.17140    148.88878    143.19337 
   137.04238    135.70589    130.72150    127.91615    126.06196    125.58562 
   119.68067    118.03951    116.96562    111.22343    108.17499    104.85747 
   103.06109     99.82827     96.12073     95.01999     92.52030     90.39996 
    89.81587     84.89650     80.91710     79.73165     78.33410     72.74442 
    72.06376     68.29353     66.97445     63.29463     60.44447     59.70526 
    59.04411     56.01486     52.90138     52.26093     50.11789     47.67301 
    42.92670     40.30745     37.28041     36.04797     34.99756     28.83028 
    28.69053     27.75960     22.93837     21.57692     20.24699     16.82367 
    13.77887     12.26012      9.85233      9.18179      7.31864      4.37794 
overlap for current and previous eigenvector    109 is         0.9999995651
overlap for current and previous eigenvector    110 is        -0.9999994415
overlap for current and previous eigenvector    111 is         0.9999893423
overlap for current and previous eigenvector    112 is         0.9999838111
overlap for current and previous eigenvector    113 is        -0.9999943092
overlap for current and previous eigenvector    114 is        -0.9999997052
J1,K1,R1,R2,RAT=   7   7   -0.7583989296E-02     2.007414537        0.9924160107    
FOB,PFOB,DIAG,PSTEP=   -0.3336121858E-05   -0.3311009073E-05     731.4759705        0.4526860429E-08
J1,K1,R1,R2,RAT=   8   8   -0.8561634081E-02     2.008532817        0.9914383659    
FOB,PFOB,DIAG,PSTEP=   -0.4116130944E-05   -0.4081188796E-05     673.2953087        0.6061601124E-08
J1,K1,R1,R2,RAT=   9   9   -0.1850407445E-01     2.018464389        0.9814959256    
FOB,PFOB,DIAG,PSTEP=    0.1671534872E-06    0.1641166011E-06     626.5808248       -0.2619292694E-09
J1,K1,R1,R2,RAT=  10  10    0.6809054183E-02     1.993207742        0.9931909458    
FOB,PFOB,DIAG,PSTEP=    0.1868205645E-05    0.1881013460E-05     604.3574792       -0.3112392462E-08
J1,K1,R1,R2,RAT=  11  11   -0.8615120138E-02     2.008647378        0.9913848799    
FOB,PFOB,DIAG,PSTEP=   -0.1315518714E-05   -0.1304282346E-05     588.5689727        0.2215987200E-08
J1,K1,R1,R2,RAT= 109 109    0.5375923467E-02     1.994582541        0.9945825412    
FOB,PFOB,DIAG,PSTEP=    0.7507962795E-04    0.7548544032E-04     13.77886996       -0.5478461459E-05
J1,K1,R1,R2,RAT= 110 110     68.57390404       -0.4967263316        0.5032736684    
FOB,PFOB,DIAG,PSTEP=    0.4234072037E-02   -0.4173172779E-02     12.26012276        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2341999858         89.16102889        0.7658000142    
FOB,PFOB,DIAG,PSTEP=   -0.4380684407E-02   -0.4403758573E-02     9.852334690        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7957825165         95.09679607        0.2042174835    
FOB,PFOB,DIAG,PSTEP=    0.4402326120E-02    0.4329259065E-02     9.181786923       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     376.4277756       -0.8327295044        0.1672704956    
FOB,PFOB,DIAG,PSTEP=    0.1847050265E-01   -0.1838896254E-01     7.318644201        0.1337940296E-04
J1,K1,R1,R2,RAT= 114 114    -683.4718713        0.9955348752        0.4465124843E-02
FOB,PFOB,DIAG,PSTEP=   -0.5993111280        0.5975677721         4.377937668        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002      0.00001     -0.00001     -0.00002     -0.00000      0.00002 
    -0.00002     -0.00003      0.00002     -0.00002      0.00001      0.00002 
     0.00001     -0.00001      0.00000     -0.00002     -0.00000      0.00005 
     0.00002      0.00003      0.00006     -0.00002      0.00006     -0.00000 
     0.00001      0.00002      0.00002      0.00000     -0.00002      0.00003 
     0.00004     -0.00000      0.00004      0.00000     -0.00005      0.00003 
     0.00000     -0.00006     -0.00003      0.00004     -0.00003      0.00001 
    -0.00004      0.00004     -0.00012     -0.00011      0.00001     -0.00010 
     0.00000      0.00007      0.00005      0.00001      0.00012     -0.00001 
     0.00008      0.00423     -0.00438      0.00440      0.01847     -0.59931 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4301897980
 Log product of positive Hessian eigenvalues =          519.9317996555
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3779376679
 Unscaled step for mode    7=        0.0000000046
 Unscaled step for mode    8=        0.0000000061
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000015
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000058
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000115
 Unscaled step for mode   17=       -0.0000000093
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000353
 Unscaled step for mode   20=       -0.0000000201
 Unscaled step for mode   21=       -0.0000000184
 Unscaled step for mode   22=        0.0000000153
 Unscaled step for mode   23=       -0.0000000002
 Unscaled step for mode   24=        0.0000000021
 Unscaled step for mode   25=        0.0000000521
 Unscaled step for mode   26=        0.0000000901
 Unscaled step for mode   27=        0.0000000470
 Unscaled step for mode   28=       -0.0000000330
 Unscaled step for mode   29=       -0.0000000172
 Unscaled step for mode   30=        0.0000000767
 Unscaled step for mode   31=        0.0000000390
 Unscaled step for mode   32=        0.0000000178
 Unscaled step for mode   33=       -0.0000000379
 Unscaled step for mode   34=       -0.0000000309
 Unscaled step for mode   35=       -0.0000000876
 Unscaled step for mode   36=       -0.0000000560
 Unscaled step for mode   37=        0.0000000620
 Unscaled step for mode   38=        0.0000000088
 Unscaled step for mode   39=        0.0000000743
 Unscaled step for mode   40=        0.0000000162
 Unscaled step for mode   41=        0.0000001446
 Unscaled step for mode   42=        0.0000000428
 Unscaled step for mode   43=       -0.0000000517
 Unscaled step for mode   44=        0.0000000968
 Unscaled step for mode   45=       -0.0000000049
 Unscaled step for mode   46=       -0.0000000989
 Unscaled step for mode   47=        0.0000001430
 Unscaled step for mode   48=       -0.0000000189
 Unscaled step for mode   49=        0.0000001120
 Unscaled step for mode   50=        0.0000000488
 Unscaled step for mode   51=        0.0000000777
 Unscaled step for mode   52=       -0.0000000130
 Unscaled step for mode   53=        0.0000000674
 Unscaled step for mode   54=        0.0000000864
 Unscaled step for mode   55=       -0.0000001178
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=        0.0000000534
 Unscaled step for mode   58=        0.0000001457
 Unscaled step for mode   59=        0.0000000062
 Unscaled step for mode   60=       -0.0000001423
 Unscaled step for mode   61=        0.0000001670
 Unscaled step for mode   62=        0.0000002275
 Unscaled step for mode   63=       -0.0000001738
 Unscaled step for mode   64=        0.0000001636
 Unscaled step for mode   65=       -0.0000000833
 Unscaled step for mode   66=       -0.0000001971
 Unscaled step for mode   67=       -0.0000000453
 Unscaled step for mode   68=        0.0000000743
 Unscaled step for mode   69=       -0.0000000407
 Unscaled step for mode   70=        0.0000002077
 Unscaled step for mode   71=        0.0000000438
 Unscaled step for mode   72=       -0.0000004805
 Unscaled step for mode   73=       -0.0000002423
 Unscaled step for mode   74=       -0.0000002961
 Unscaled step for mode   75=       -0.0000006364
 Unscaled step for mode   76=        0.0000002148
 Unscaled step for mode   77=       -0.0000006667
 Unscaled step for mode   78=        0.0000000054
 Unscaled step for mode   79=       -0.0000001438
 Unscaled step for mode   80=       -0.0000002426
 Unscaled step for mode   81=       -0.0000002484
 Unscaled step for mode   82=       -0.0000000313
 Unscaled step for mode   83=        0.0000001937
 Unscaled step for mode   84=       -0.0000004807
 Unscaled step for mode   85=       -0.0000005958
 Unscaled step for mode   86=        0.0000000596
 Unscaled step for mode   87=       -0.0000006181
 Unscaled step for mode   88=       -0.0000000435
 Unscaled step for mode   89=        0.0000008569
 Unscaled step for mode   90=       -0.0000004748
 Unscaled step for mode   91=       -0.0000000282
 Unscaled step for mode   92=        0.0000010652
 Unscaled step for mode   93=        0.0000006288
 Unscaled step for mode   94=       -0.0000008204
 Unscaled step for mode   95=        0.0000005379
 Unscaled step for mode   96=       -0.0000001987
 Unscaled step for mode   97=        0.0000009240
 Unscaled step for mode   98=       -0.0000009353
 Unscaled step for mode   99=        0.0000030991
 Unscaled step for mode  100=        0.0000029757
 Unscaled step for mode  101=       -0.0000003967
 Unscaled step for mode  102=        0.0000032976
 Unscaled step for mode  103=       -0.0000001514
 Unscaled step for mode  104=       -0.0000026377
 Unscaled step for mode  105=       -0.0000022901
 Unscaled step for mode  106=       -0.0000004678
 Unscaled step for mode  107=       -0.0000058759
 Unscaled step for mode  108=        0.0000008347
 Unscaled step for mode  109=       -0.0000054489
 Unscaled step for mode  110=       -0.0003453531
 Unscaled step for mode  111=        0.0004446341
 Unscaled step for mode  112=       -0.0004794628
 Unscaled step for mode  113=       -0.0025237441
 Unscaled step for mode  114=       -0.1344199894
 Largest modulus ratio of non-zero e/values=           167.0823173    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.241127E-15    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.112508E-14    0.100720E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.238961E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.414924E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.439319E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.785776E-16    0.973845E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.333612E-05    0.731476E+03  0.456081E-08 0.100000E-04    0.992416E+00
   8   -0.411613E-05    0.673295E+03  0.611341E-08 0.100000E-04    0.991438E+00
   9    0.167153E-06    0.626581E+03 -0.266771E-09 0.100000E-04    0.981496E+00
  10    0.186821E-05    0.604357E+03 -0.309123E-08 0.100000E-04    0.993191E+00
  11   -0.131552E-05    0.588569E+03  0.223511E-08 0.100000E-04    0.991385E+00
  12   -0.850197E-06    0.570129E+03  0.149124E-08 0.100000E-04    0.952652E+00
  13   -0.337191E-05    0.566694E+03  0.595015E-08 0.100000E-04    0.991024E+00
  14   -0.281304E-05    0.482155E+03  0.583431E-08 0.100000E-04    0.985567E+00
  15    0.179845E-05    0.465765E+03 -0.386128E-08 0.100000E-04    0.987624E+00
  16    0.528711E-05    0.461520E+03 -0.114559E-07 0.100000E-04    0.996949E+00
  17    0.409037E-05    0.441357E+03 -0.926771E-08 0.100000E-04    0.998310E+00
  18    0.493604E-05    0.429915E+03 -0.114815E-07 0.100000E-04    0.994803E+00
  19   -0.148936E-04    0.421693E+03  0.353186E-07 0.100000E-04    0.997562E+00
  20    0.819140E-05    0.407711E+03 -0.200912E-07 0.100000E-04    0.997984E+00
  21    0.729937E-05    0.397548E+03 -0.183610E-07 0.100000E-04    0.999572E+00
  22   -0.593331E-05    0.388848E+03  0.152587E-07 0.100000E-04    0.996631E+00
  23    0.603704E-07    0.367692E+03 -0.164187E-09 0.100000E-04    0.764890E+00
  24   -0.759926E-06    0.362022E+03  0.209912E-08 0.100000E-04    0.984055E+00
  25   -0.183016E-04    0.351067E+03  0.521313E-07 0.100000E-04    0.996618E+00
  26   -0.303580E-04    0.336843E+03  0.901253E-07 0.100000E-04    0.997910E+00
  27   -0.153003E-04    0.325565E+03  0.469960E-07 0.100000E-04    0.996566E+00
  28    0.106204E-04    0.321502E+03 -0.330338E-07 0.100000E-04    0.989669E+00
  29    0.549556E-05    0.320041E+03 -0.171714E-07 0.100000E-04    0.986535E+00
  30   -0.240420E-04    0.313453E+03  0.767003E-07 0.100000E-04    0.998039E+00
  31   -0.118669E-04    0.304293E+03  0.389982E-07 0.100000E-04    0.991724E+00
  32   -0.514309E-05    0.288318E+03  0.178382E-07 0.100000E-04    0.998557E+00
  33    0.105669E-04    0.278947E+03 -0.378812E-07 0.100000E-04    0.999201E+00
  34    0.837397E-05    0.270712E+03 -0.309331E-07 0.100000E-04    0.995566E+00
  35    0.233436E-04    0.266607E+03 -0.875581E-07 0.100000E-04    0.998666E+00
  36    0.147842E-04    0.263981E+03 -0.560049E-07 0.100000E-04    0.995255E+00
  37   -0.160635E-04    0.259174E+03  0.619797E-07 0.100000E-04    0.996043E+00
  38   -0.224565E-05    0.253853E+03  0.884625E-08 0.100000E-04    0.989596E+00
  39   -0.180135E-04    0.242401E+03  0.743129E-07 0.100000E-04    0.998381E+00
  40   -0.384281E-05    0.237924E+03  0.161514E-07 0.100000E-04    0.944733E+00
  41   -0.340426E-04    0.235436E+03  0.144594E-06 0.100000E-04    0.996225E+00
  42   -0.978410E-05    0.228613E+03  0.427977E-07 0.100000E-04    0.995729E+00
  43    0.114116E-04    0.220823E+03 -0.516777E-07 0.100000E-04    0.991715E+00
  44   -0.206585E-04    0.213520E+03  0.967519E-07 0.100000E-04    0.993892E+00
  45    0.104643E-05    0.212119E+03 -0.493324E-08 0.100000E-04    0.943062E+00
  46    0.205267E-04    0.207573E+03 -0.988892E-07 0.100000E-04    0.994640E+00
  47   -0.290925E-04    0.203493E+03  0.142965E-06 0.100000E-04    0.998539E+00
  48    0.373205E-05    0.197703E+03 -0.188771E-07 0.100000E-04    0.989382E+00
  49   -0.218883E-04    0.195371E+03  0.112035E-06 0.100000E-04    0.994983E+00
  50   -0.934136E-05    0.191564E+03  0.487638E-07 0.100000E-04    0.994987E+00
  51   -0.143467E-04    0.184600E+03  0.777174E-07 0.100000E-04    0.993984E+00
  52    0.228467E-05    0.175449E+03 -0.130218E-07 0.100000E-04    0.982289E+00
  53   -0.115702E-04    0.171661E+03  0.674016E-07 0.100000E-04    0.995725E+00
  54   -0.144842E-04    0.167559E+03  0.864428E-07 0.100000E-04    0.992086E+00
  55    0.194693E-04    0.165236E+03 -0.117827E-06 0.100000E-04    0.998898E+00
  56    0.589654E-05    0.159323E+03 -0.370101E-07 0.100000E-04    0.991422E+00
  57   -0.821164E-05    0.153807E+03  0.533893E-07 0.100000E-04    0.990996E+00
  58   -0.220279E-04    0.151171E+03  0.145715E-06 0.100000E-04    0.997384E+00
  59   -0.924107E-06    0.148889E+03  0.620669E-08 0.100000E-04    0.974311E+00
  60    0.203788E-04    0.143193E+03 -0.142316E-06 0.100000E-04    0.995158E+00
  61   -0.228916E-04    0.137042E+03  0.167040E-06 0.100000E-04    0.995717E+00
  62   -0.308676E-04    0.135706E+03  0.227459E-06 0.100000E-04    0.998623E+00
  63    0.227216E-04    0.130721E+03 -0.173817E-06 0.100000E-04    0.998793E+00
  64   -0.209326E-04    0.127916E+03  0.163643E-06 0.100000E-04    0.992125E+00
  65    0.105047E-04    0.126062E+03 -0.833293E-07 0.100000E-04    0.976761E+00
  66    0.247517E-04    0.125586E+03 -0.197090E-06 0.100000E-04    0.995720E+00
  67    0.541563E-05    0.119681E+03 -0.452507E-07 0.100000E-04    0.990218E+00
  68   -0.876555E-05    0.118040E+03  0.742594E-07 0.100000E-04    0.998189E+00
  69    0.476066E-05    0.116966E+03 -0.407013E-07 0.100000E-04    0.997693E+00
  70   -0.230999E-04    0.111223E+03  0.207690E-06 0.100000E-04    0.994732E+00
  71   -0.473743E-05    0.108175E+03  0.437941E-07 0.100000E-04    0.996770E+00
  72    0.503808E-04    0.104857E+03 -0.480470E-06 0.100000E-04    0.997347E+00
  73    0.249719E-04    0.103061E+03 -0.242302E-06 0.100000E-04    0.995875E+00
  74    0.295631E-04    0.998283E+02 -0.296140E-06 0.100000E-04    0.997765E+00
  75    0.611736E-04    0.961207E+02 -0.636424E-06 0.100000E-04    0.993535E+00
  76   -0.204093E-04    0.950200E+02  0.214790E-06 0.100000E-04    0.985523E+00
  77    0.616850E-04    0.925203E+02 -0.666718E-06 0.100000E-04    0.999804E+00
  78   -0.486106E-06    0.904000E+02  0.537728E-08 0.100000E-04    0.809917E+00
  79    0.129129E-04    0.898159E+02 -0.143771E-06 0.100000E-04    0.983458E+00
  80    0.205983E-04    0.848965E+02 -0.242628E-06 0.100000E-04    0.995571E+00
  81    0.200993E-04    0.809171E+02 -0.248393E-06 0.100000E-04    0.998432E+00
  82    0.249768E-05    0.797316E+02 -0.313260E-07 0.100000E-04    0.933279E+00
  83   -0.151754E-04    0.783341E+02  0.193726E-06 0.100000E-04    0.991955E+00
  84    0.349676E-04    0.727444E+02 -0.480692E-06 0.100000E-04    0.997609E+00
  85    0.429367E-04    0.720638E+02 -0.595816E-06 0.100000E-04    0.999460E+00
  86   -0.407296E-05    0.682935E+02  0.596390E-07 0.100000E-04    0.938090E+00
  87    0.413962E-04    0.669745E+02 -0.618090E-06 0.100000E-04    0.997106E+00
  88    0.275518E-05    0.632946E+02 -0.435295E-07 0.100000E-04    0.988640E+00
  89   -0.517927E-04    0.604445E+02  0.856864E-06 0.100000E-04    0.997891E+00
  90    0.283473E-04    0.597053E+02 -0.474788E-06 0.100000E-04    0.996969E+00
  91    0.166754E-05    0.590441E+02 -0.282422E-07 0.100000E-04    0.953960E+00
  92   -0.596667E-04    0.560149E+02  0.106519E-05 0.100000E-04    0.997091E+00
  93   -0.332641E-04    0.529014E+02  0.628794E-06 0.100000E-04    0.993750E+00
  94    0.428754E-04    0.522609E+02 -0.820411E-06 0.100000E-04    0.998991E+00
  95   -0.269595E-04    0.501179E+02  0.537922E-06 0.100000E-04    0.991079E+00
  96    0.947445E-05    0.476730E+02 -0.198738E-06 0.100000E-04    0.998657E+00
  97   -0.396637E-04    0.429267E+02  0.923986E-06 0.100000E-04    0.999779E+00
  98    0.377007E-04    0.403075E+02 -0.935328E-06 0.100000E-04    0.995808E+00
  99   -0.115536E-03    0.372804E+02  0.309911E-05 0.100000E-04    0.998876E+00
 100   -0.107268E-03    0.360480E+02  0.297569E-05 0.100000E-04    0.998589E+00
 101    0.138825E-04    0.349976E+02 -0.396671E-06 0.100000E-04    0.991195E+00
 102   -0.950714E-04    0.288303E+02  0.329762E-05 0.100000E-04    0.999811E+00
 103    0.434504E-05    0.286905E+02 -0.151445E-06 0.100000E-04    0.872080E+00
 104    0.732212E-04    0.277596E+02 -0.263769E-05 0.100000E-04    0.998783E+00
 105    0.525301E-04    0.229384E+02 -0.229005E-05 0.100000E-04    0.993911E+00
 106    0.100946E-04    0.215769E+02 -0.467843E-06 0.100000E-04    0.959629E+00
 107    0.118970E-03    0.202470E+02 -0.587593E-05 0.100000E-04    0.997470E+00
 108   -0.140423E-04    0.168237E+02  0.834675E-06 0.100000E-04    0.974794E+00
 109    0.750796E-04    0.137789E+02 -0.544890E-05 0.100000E-04    0.994583E+00
 110    0.423407E-02    0.122601E+02 -0.100000E-04 0.100000E-04    0.503274E+00
 111   -0.438068E-02    0.985233E+01  0.100000E-04 0.100000E-04    0.765800E+00
 112    0.440233E-02    0.918179E+01 -0.100000E-04 0.100000E-04    0.204217E+00
 113    0.184705E-01    0.731864E+01 -0.145835E-04 0.145835E-04    0.167270E+00
 114   -0.599311E+00    0.437794E+01 -0.400000E-03 0.400000E-03    0.446512E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1344199894    

 Beginning of optimization cycle  299.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3642238005
 potential> RMS force:                                               0.0563250108   |gradient|=.6013865478    
 Eigenvalues of the Hessian matrix:
   731.53797    673.30487    626.59325    604.35239    588.55939    570.17219 
   566.70199    482.17908    465.74191    461.51263    441.35760    429.90670 
   421.69778    407.71937    397.54275    388.84825    367.69792    362.01281 
   351.05995    336.81905    325.57622    321.50068    320.04995    313.42666 
   304.28299    288.32638    278.94192    270.71246    266.61559    263.98925 
   259.18666    253.85518    242.39636    237.93261    235.42584    228.61036 
   220.80275    213.52784    212.12436    207.56500    203.49553    197.69693 
   195.36810    191.56255    184.59010    175.43749    171.66706    167.55784 
   165.23008    159.31299    153.81152    151.17604    148.88229    143.19580 
   137.04413    135.70987    130.71978    127.92019    126.06259    125.58658 
   119.68254    118.04045    116.96747    111.21714    108.16544    104.85434 
   103.06215     99.82648     96.11282     95.01608     92.53305     90.40170 
    89.81452     84.89932     80.91708     79.73422     78.33275     72.74532 
    72.06828     68.29325     66.96193     63.29247     60.43481     59.70613 
    59.04517     56.01570     52.89752     52.26172     50.11651     47.66943 
    42.92495     40.30991     37.28457     36.05196     34.98612     28.82974 
    28.68948     27.75133     22.93951     21.57137     20.25181     16.82350 
    13.77916     12.25966      9.85331      9.17340      7.31384      4.37356 
overlap for current and previous eigenvector    109 is         0.9999995683
overlap for current and previous eigenvector    110 is         0.9999994435
overlap for current and previous eigenvector    111 is         0.9999899861
overlap for current and previous eigenvector    112 is         0.9999844224
overlap for current and previous eigenvector    113 is         0.9999942764
overlap for current and previous eigenvector    114 is         0.9999997039
J1,K1,R1,R2,RAT=   7   7   -0.7843012093E-02     2.007673520        0.9921569879    
FOB,PFOB,DIAG,PSTEP=   -0.3362289319E-05   -0.3336121858E-05     731.5379653        0.4560808546E-08
J1,K1,R1,R2,RAT=   8   8   -0.8352290824E-02     2.008323880        0.9916477092    
FOB,PFOB,DIAG,PSTEP=   -0.4150510555E-05   -0.4116130944E-05     673.3048732        0.6113410997E-08
J1,K1,R1,R2,RAT=   9   9    0.7865249853E-01     1.921307839        0.9213078392    
FOB,PFOB,DIAG,PSTEP=    0.1540061871E-06    0.1671534872E-06     626.5932509       -0.2667708308E-09
J1,K1,R1,R2,RAT=  10  10    0.5200466516E-02     1.994816370        0.9947995335    
FOB,PFOB,DIAG,PSTEP=    0.1858490186E-05    0.1868205645E-05     604.3523915       -0.3091226151E-08
J1,K1,R1,R2,RAT=  11  11    0.1584347420E-02     1.998448208        0.9984156526    
FOB,PFOB,DIAG,PSTEP=   -0.1313434510E-05   -0.1315518714E-05     588.5593923        0.2235113938E-08
J1,K1,R1,R2,RAT= 109 109   -0.4158472598E-03     2.000373739        0.9995841527    
FOB,PFOB,DIAG,PSTEP=    0.7511085026E-04    0.7507962795E-04     13.77916006       -0.5448895895E-05
J1,K1,R1,R2,RAT= 110 110   -0.4924752555         69.56571939        0.5075247445    
FOB,PFOB,DIAG,PSTEP=    0.4294447823E-02    0.4234072037E-02     12.25965883       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2334827409         88.68454312        0.7665172591    
FOB,PFOB,DIAG,PSTEP=   -0.4357678628E-02   -0.4380684407E-02     9.853310089        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8186302857         96.79891743        0.1813697143    
FOB,PFOB,DIAG,PSTEP=    0.4477422322E-02    0.4402326120E-02     9.173396437       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7133296645         347.0510498        0.2866703355    
FOB,PFOB,DIAG,PSTEP=    0.1854658768E-01    0.1847050265E-01     7.313843857       -0.1458354923E-04
J1,K1,R1,R2,RAT= 114 114    0.9954491791        -686.1479001        0.4550820897E-02
FOB,PFOB,DIAG,PSTEP=   -0.6010525908       -0.5993111280         4.373560418       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001      0.00000     -0.00001     -0.00001 
     0.00002      0.00001     -0.00001     -0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002     -0.00002      0.00001      0.00002 
     0.00001      0.00001     -0.00000     -0.00002      0.00000     -0.00005 
    -0.00003      0.00003      0.00006     -0.00002      0.00006      0.00000 
    -0.00001      0.00002     -0.00002     -0.00000      0.00002     -0.00004 
    -0.00004     -0.00000      0.00004     -0.00000      0.00005     -0.00003 
    -0.00000      0.00006      0.00003      0.00004     -0.00003      0.00001 
    -0.00004     -0.00004      0.00012      0.00011     -0.00001      0.00010 
    -0.00000     -0.00007      0.00005      0.00001      0.00012     -0.00001 
     0.00008      0.00429     -0.00436      0.00448      0.01855     -0.60105 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4300678845
 Log product of positive Hessian eigenvalues =          519.9283152404
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3735604181
 Unscaled step for mode    7=        0.0000000046
 Unscaled step for mode    8=        0.0000000062
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000016
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000057
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000115
 Unscaled step for mode   17=       -0.0000000093
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000354
 Unscaled step for mode   20=       -0.0000000200
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000154
 Unscaled step for mode   23=       -0.0000000002
 Unscaled step for mode   24=        0.0000000022
 Unscaled step for mode   25=        0.0000000523
 Unscaled step for mode   26=        0.0000000903
 Unscaled step for mode   27=        0.0000000471
 Unscaled step for mode   28=       -0.0000000333
 Unscaled step for mode   29=       -0.0000000174
 Unscaled step for mode   30=        0.0000000769
 Unscaled step for mode   31=        0.0000000393
 Unscaled step for mode   32=        0.0000000180
 Unscaled step for mode   33=       -0.0000000380
 Unscaled step for mode   34=       -0.0000000311
 Unscaled step for mode   35=       -0.0000000877
 Unscaled step for mode   36=       -0.0000000564
 Unscaled step for mode   37=        0.0000000622
 Unscaled step for mode   38=        0.0000000087
 Unscaled step for mode   39=        0.0000000744
 Unscaled step for mode   40=        0.0000000171
 Unscaled step for mode   41=        0.0000001453
 Unscaled step for mode   42=        0.0000000432
 Unscaled step for mode   43=       -0.0000000521
 Unscaled step for mode   44=        0.0000000975
 Unscaled step for mode   45=       -0.0000000047
 Unscaled step for mode   46=       -0.0000000995
 Unscaled step for mode   47=        0.0000001433
 Unscaled step for mode   48=       -0.0000000190
 Unscaled step for mode   49=        0.0000001126
 Unscaled step for mode   50=        0.0000000484
 Unscaled step for mode   51=        0.0000000781
 Unscaled step for mode   52=       -0.0000000132
 Unscaled step for mode   53=        0.0000000676
 Unscaled step for mode   54=        0.0000000870
 Unscaled step for mode   55=       -0.0000001180
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=        0.0000000536
 Unscaled step for mode   58=        0.0000001461
 Unscaled step for mode   59=        0.0000000059
 Unscaled step for mode   60=        0.0000001428
 Unscaled step for mode   61=       -0.0000001676
 Unscaled step for mode   62=       -0.0000002272
 Unscaled step for mode   63=       -0.0000001735
 Unscaled step for mode   64=        0.0000001648
 Unscaled step for mode   65=       -0.0000000850
 Unscaled step for mode   66=       -0.0000001963
 Unscaled step for mode   67=       -0.0000000460
 Unscaled step for mode   68=       -0.0000000743
 Unscaled step for mode   69=        0.0000000408
 Unscaled step for mode   70=        0.0000002089
 Unscaled step for mode   71=       -0.0000000441
 Unscaled step for mode   72=        0.0000004821
 Unscaled step for mode   73=        0.0000002431
 Unscaled step for mode   74=       -0.0000002956
 Unscaled step for mode   75=       -0.0000006404
 Unscaled step for mode   76=        0.0000002113
 Unscaled step for mode   77=       -0.0000006660
 Unscaled step for mode   78=       -0.0000000047
 Unscaled step for mode   79=        0.0000001419
 Unscaled step for mode   80=       -0.0000002433
 Unscaled step for mode   81=        0.0000002491
 Unscaled step for mode   82=        0.0000000290
 Unscaled step for mode   83=       -0.0000001945
 Unscaled step for mode   84=        0.0000004818
 Unscaled step for mode   85=        0.0000005951
 Unscaled step for mode   86=        0.0000000560
 Unscaled step for mode   87=       -0.0000006187
 Unscaled step for mode   88=        0.0000000450
 Unscaled step for mode   89=       -0.0000008572
 Unscaled step for mode   90=        0.0000004760
 Unscaled step for mode   91=        0.0000000293
 Unscaled step for mode   92=       -0.0000010672
 Unscaled step for mode   93=       -0.0000006251
 Unscaled step for mode   94=       -0.0000008222
 Unscaled step for mode   95=        0.0000005344
 Unscaled step for mode   96=       -0.0000001990
 Unscaled step for mode   97=        0.0000009223
 Unscaled step for mode   98=        0.0000009385
 Unscaled step for mode   99=       -0.0000031002
 Unscaled step for mode  100=       -0.0000029672
 Unscaled step for mode  101=        0.0000003976
 Unscaled step for mode  102=       -0.0000032985
 Unscaled step for mode  103=        0.0000001699
 Unscaled step for mode  104=        0.0000026458
 Unscaled step for mode  105=       -0.0000022926
 Unscaled step for mode  106=       -0.0000004475
 Unscaled step for mode  107=       -0.0000058622
 Unscaled step for mode  108=        0.0000008321
 Unscaled step for mode  109=       -0.0000054510
 Unscaled step for mode  110=       -0.0003502909
 Unscaled step for mode  111=        0.0004422552
 Unscaled step for mode  112=       -0.0004880876
 Unscaled step for mode  113=       -0.0025358032
 Unscaled step for mode  114=       -0.1349267496
 Largest modulus ratio of non-zero e/values=           167.2637155    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.217057E-15    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.133411E-14    0.100719E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.650508E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.198192E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.395192E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.443168E-15    0.973847E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.336229E-05    0.731538E+03  0.459619E-08 0.100000E-04    0.992157E+00
   8   -0.415051E-05    0.673305E+03  0.616439E-08 0.100000E-04    0.991648E+00
   9    0.154006E-06    0.626593E+03 -0.245783E-09 0.100000E-04    0.921308E+00
  10    0.185849E-05    0.604352E+03 -0.307518E-08 0.100000E-04    0.994800E+00
  11   -0.131343E-05    0.588559E+03  0.223161E-08 0.100000E-04    0.998416E+00
  12   -0.907608E-06    0.570172E+03  0.159181E-08 0.100000E-04    0.932479E+00
  13   -0.338697E-05    0.566702E+03  0.597664E-08 0.100000E-04    0.995533E+00
  14   -0.276663E-05    0.482179E+03  0.573777E-08 0.100000E-04    0.983402E+00
  15    0.180510E-05    0.465742E+03 -0.387575E-08 0.100000E-04    0.996303E+00
  16    0.530358E-05    0.461513E+03 -0.114917E-07 0.100000E-04    0.996886E+00
  17    0.408505E-05    0.441358E+03 -0.925564E-08 0.100000E-04    0.998696E+00
  18    0.493597E-05    0.429907E+03 -0.114815E-07 0.100000E-04    0.999985E+00
  19   -0.149251E-04    0.421698E+03  0.353930E-07 0.100000E-04    0.997882E+00
  20    0.815724E-05    0.407719E+03 -0.200070E-07 0.100000E-04    0.995788E+00
  21    0.728524E-05    0.397543E+03 -0.183257E-07 0.100000E-04    0.998064E+00
  22   -0.597467E-05    0.388848E+03  0.153651E-07 0.100000E-04    0.993029E+00
  23    0.913050E-07    0.367698E+03 -0.248315E-09 0.100000E-04    0.487594E+00
  24   -0.793560E-06    0.362013E+03  0.219208E-08 0.100000E-04    0.955738E+00
  25   -0.183502E-04    0.351060E+03  0.522710E-07 0.100000E-04    0.997341E+00
  26   -0.304221E-04    0.336819E+03  0.903217E-07 0.100000E-04    0.997890E+00
  27   -0.153392E-04    0.325576E+03  0.471139E-07 0.100000E-04    0.997457E+00
  28    0.107220E-04    0.321501E+03 -0.333497E-07 0.100000E-04    0.990440E+00
  29    0.558241E-05    0.320050E+03 -0.174423E-07 0.100000E-04    0.984197E+00
  30   -0.241038E-04    0.313427E+03  0.769042E-07 0.100000E-04    0.997427E+00
  31   -0.119634E-04    0.304283E+03  0.393166E-07 0.100000E-04    0.991868E+00
  32   -0.517763E-05    0.288326E+03  0.179575E-07 0.100000E-04    0.993284E+00
  33    0.105875E-04    0.278942E+03 -0.379561E-07 0.100000E-04    0.998042E+00
  34    0.841865E-05    0.270712E+03 -0.310981E-07 0.100000E-04    0.994665E+00
  35    0.233885E-04    0.266616E+03 -0.877235E-07 0.100000E-04    0.998079E+00
  36    0.148817E-04    0.263989E+03 -0.563722E-07 0.100000E-04    0.993409E+00
  37   -0.161220E-04    0.259187E+03  0.622022E-07 0.100000E-04    0.996361E+00
  38   -0.221420E-05    0.253855E+03  0.872230E-08 0.100000E-04    0.985980E+00
  39   -0.180396E-04    0.242396E+03  0.744219E-07 0.100000E-04    0.998551E+00
  40   -0.406962E-05    0.237933E+03  0.171041E-07 0.100000E-04    0.940980E+00
  41   -0.342045E-04    0.235426E+03  0.145288E-06 0.100000E-04    0.995244E+00
  42   -0.986473E-05    0.228610E+03  0.431508E-07 0.100000E-04    0.991759E+00
  43    0.115083E-04    0.220803E+03 -0.521203E-07 0.100000E-04    0.991527E+00
  44   -0.208185E-04    0.213528E+03  0.974977E-07 0.100000E-04    0.992255E+00
  45    0.997584E-06    0.212124E+03 -0.470282E-08 0.100000E-04    0.953268E+00
  46    0.206425E-04    0.207565E+03 -0.994506E-07 0.100000E-04    0.994362E+00
  47   -0.291547E-04    0.203496E+03  0.143269E-06 0.100000E-04    0.997863E+00
  48    0.375960E-05    0.197697E+03 -0.190170E-07 0.100000E-04    0.992617E+00
  49   -0.219991E-04    0.195368E+03  0.112604E-06 0.100000E-04    0.994935E+00
  50   -0.927716E-05    0.191563E+03  0.484289E-07 0.100000E-04    0.993128E+00
  51   -0.144138E-04    0.184590E+03  0.780855E-07 0.100000E-04    0.995319E+00
  52    0.232118E-05    0.175437E+03 -0.132308E-07 0.100000E-04    0.984017E+00
  53   -0.115997E-04    0.171667E+03  0.675707E-07 0.100000E-04    0.997456E+00
  54   -0.145805E-04    0.167558E+03  0.870177E-07 0.100000E-04    0.993354E+00
  55    0.195047E-04    0.165230E+03 -0.118046E-06 0.100000E-04    0.998183E+00
  56    0.589292E-05    0.159313E+03 -0.369896E-07 0.100000E-04    0.999385E+00
  57   -0.825123E-05    0.153812E+03  0.536451E-07 0.100000E-04    0.995179E+00
  58   -0.220915E-04    0.151176E+03  0.146131E-06 0.100000E-04    0.997115E+00
  59   -0.873290E-06    0.148882E+03  0.586564E-08 0.100000E-04    0.945007E+00
  60   -0.204459E-04    0.143196E+03  0.142783E-06 0.100000E-04    0.996705E+00
  61    0.229709E-04    0.137044E+03 -0.167616E-06 0.100000E-04    0.996539E+00
  62    0.308324E-04    0.135710E+03 -0.227194E-06 0.100000E-04    0.998804E+00
  63    0.226805E-04    0.130720E+03 -0.173505E-06 0.100000E-04    0.998194E+00
  64   -0.210784E-04    0.127920E+03  0.164777E-06 0.100000E-04    0.993035E+00
  65    0.107108E-04    0.126063E+03 -0.849640E-07 0.100000E-04    0.980378E+00
  66    0.246586E-04    0.125587E+03 -0.196348E-06 0.100000E-04    0.996225E+00
  67    0.550185E-05    0.119683E+03 -0.459703E-07 0.100000E-04    0.984080E+00
  68    0.877117E-05    0.118040E+03 -0.743065E-07 0.100000E-04    0.999358E+00
  69   -0.476960E-05    0.116967E+03  0.407771E-07 0.100000E-04    0.998122E+00
  70   -0.232379E-04    0.111217E+03  0.208942E-06 0.100000E-04    0.994025E+00
  71    0.477216E-05    0.108165E+03 -0.441191E-07 0.100000E-04    0.992668E+00
  72   -0.505491E-04    0.104854E+03  0.482089E-06 0.100000E-04    0.996659E+00
  73   -0.250543E-04    0.103062E+03  0.243099E-06 0.100000E-04    0.996702E+00
  74    0.295058E-04    0.998265E+02 -0.295571E-06 0.100000E-04    0.998060E+00
  75    0.615512E-04    0.961128E+02 -0.640405E-06 0.100000E-04    0.993827E+00
  76   -0.200800E-04    0.950161E+02  0.211332E-06 0.100000E-04    0.983863E+00
  77    0.616269E-04    0.925330E+02 -0.665999E-06 0.100000E-04    0.998783E+00
  78    0.425811E-06    0.904017E+02 -0.471021E-08 0.100000E-04    0.875927E+00
  79   -0.127442E-04    0.898145E+02  0.141895E-06 0.100000E-04    0.986933E+00
  80    0.206519E-04    0.848993E+02 -0.243252E-06 0.100000E-04    0.997396E+00
  81   -0.201535E-04    0.809171E+02  0.249064E-06 0.100000E-04    0.997302E+00
  82   -0.231423E-05    0.797342E+02  0.290243E-07 0.100000E-04    0.926492E+00
  83    0.152383E-04    0.783328E+02 -0.194533E-06 0.100000E-04    0.995852E+00
  84   -0.350514E-04    0.727453E+02  0.481838E-06 0.100000E-04    0.997603E+00
  85   -0.428867E-04    0.720683E+02  0.595085E-06 0.100000E-04    0.998710E+00
  86   -0.382470E-05    0.682933E+02  0.560041E-07 0.100000E-04    0.939047E+00
  87    0.414286E-04    0.669619E+02 -0.618689E-06 0.100000E-04    0.999218E+00
  88   -0.285110E-05    0.632925E+02  0.450465E-07 0.100000E-04    0.965184E+00
  89    0.518051E-04    0.604348E+02 -0.857207E-06 0.100000E-04    0.999760E+00
  90   -0.284174E-04    0.597061E+02  0.475954E-06 0.100000E-04    0.997530E+00
  91   -0.172998E-05    0.590452E+02  0.292992E-07 0.100000E-04    0.962557E+00
  92    0.597812E-04    0.560157E+02 -0.106722E-05 0.100000E-04    0.998080E+00
  93    0.330677E-04    0.528975E+02 -0.625127E-06 0.100000E-04    0.994095E+00
  94    0.429684E-04    0.522617E+02 -0.822177E-06 0.100000E-04    0.997832E+00
  95   -0.267819E-04    0.501165E+02  0.534392E-06 0.100000E-04    0.993412E+00
  96    0.948712E-05    0.476694E+02 -0.199019E-06 0.100000E-04    0.998662E+00
  97   -0.395898E-04    0.429250E+02  0.922303E-06 0.100000E-04    0.998138E+00
  98   -0.378295E-04    0.403099E+02  0.938465E-06 0.100000E-04    0.996585E+00
  99    0.115590E-03    0.372846E+02 -0.310020E-05 0.100000E-04    0.999536E+00
 100    0.106975E-03    0.360520E+02 -0.296725E-05 0.100000E-04    0.997052E+00
 101   -0.139093E-04    0.349861E+02  0.397567E-06 0.100000E-04    0.998069E+00
 102    0.950956E-04    0.288297E+02 -0.329853E-05 0.100000E-04    0.999745E+00
 103   -0.487421E-05    0.286895E+02  0.169895E-06 0.100000E-04    0.878210E+00
 104   -0.734238E-04    0.277513E+02  0.264578E-05 0.100000E-04    0.997232E+00
 105    0.525921E-04    0.229395E+02 -0.229264E-05 0.100000E-04    0.998820E+00
 106    0.965260E-05    0.215714E+02 -0.447473E-06 0.100000E-04    0.956201E+00
 107    0.118721E-03    0.202518E+02 -0.586222E-05 0.100000E-04    0.997430E+00
 108   -0.139988E-04    0.168235E+02  0.832095E-06 0.100000E-04    0.996900E+00
 109    0.751109E-04    0.137792E+02 -0.545105E-05 0.100000E-04    0.999584E+00
 110    0.429445E-02    0.122597E+02 -0.100000E-04 0.100000E-04    0.507525E+00
 111   -0.435768E-02    0.985331E+01  0.100000E-04 0.100000E-04    0.766517E+00
 112    0.447742E-02    0.917340E+01 -0.109000E-04 0.109000E-04    0.181370E+00
 113    0.185466E-01    0.731384E+01 -0.131383E-04 0.131383E-04    0.286670E+00
 114   -0.601053E+00    0.437356E+01 -0.400000E-03 0.400000E-03    0.455082E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1349267496    

 Beginning of optimization cycle  300.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3639834079
 potential> RMS force:                                               0.0564881782   |gradient|=.6031286988    
 Eigenvalues of the Hessian matrix:
   731.59999    673.31458    626.60573    604.34700    588.54993    570.21481 
   566.71022    482.20356    465.71859    461.50527    441.35844    429.89875 
   421.70262    407.72792    397.53773    388.84799    367.70426    362.00379 
   351.05248    336.79565    325.58705    321.49892    320.05841    313.40005 
   304.27288    288.33450    278.93658    270.71285    266.62425    263.99764 
   259.19894    253.85735    242.39182    237.94149    235.41544    228.60762 
   220.78224    213.53561    212.12985    207.55718    203.49780    197.69129 
   195.36525    191.56158    184.57987    175.42561    171.67309    167.55697 
   165.22431    159.30338    153.81618    151.18072    148.87579    143.19826 
   137.04588    135.71379    130.71811    127.92421    126.06327    125.58747 
   119.68443    118.04142    116.96935    111.21088    108.15598    104.85127 
   103.06319     99.82473     96.10498     95.01207     92.54577     90.40352 
    89.81307     84.90213     80.91706     79.73676     78.33142     72.74628 
    72.07285     68.29306     66.94940     63.29030     60.42524     59.70701 
    59.04626     56.01657     52.89371     52.26252     50.11514     47.66586 
    42.92323     40.31239     37.28877     36.05605     34.97472     28.82922 
    28.68843     27.74310     22.94064     21.56577     20.25668     16.82334 
    13.77946     12.25920      9.85431      9.16508      7.30901      4.36917 
overlap for current and previous eigenvector    109 is        -0.9999995750
overlap for current and previous eigenvector    110 is         0.9999994478
overlap for current and previous eigenvector    111 is        -0.9999906893
overlap for current and previous eigenvector    112 is        -0.9999851202
overlap for current and previous eigenvector    113 is        -0.9999942730
overlap for current and previous eigenvector    114 is         0.9999997044
J1,K1,R1,R2,RAT=   7   7   -0.8891322982E-02     2.008721763        0.9911086770    
FOB,PFOB,DIAG,PSTEP=   -0.3392187054E-05   -0.3362289319E-05     731.5999905        0.4596192513E-08
J1,K1,R1,R2,RAT=   8   8    0.1789570588E-03     1.999792216        0.9997922157    
FOB,PFOB,DIAG,PSTEP=   -0.4149767782E-05   -0.4150510555E-05     673.3145780        0.6164385141E-08
J1,K1,R1,R2,RAT=   9   9    0.1174960618         1.882464101        0.8824641012    
FOB,PFOB,DIAG,PSTEP=    0.1359107062E-06    0.1540061871E-06     626.6057319       -0.2457833480E-09
J1,K1,R1,R2,RAT=  10  10   -0.1417918883E-01     2.014197048        0.9858208112    
FOB,PFOB,DIAG,PSTEP=    0.1884841834E-05    0.1858490186E-05     604.3469951       -0.3075176357E-08
J1,K1,R1,R2,RAT=  11  11    0.1495540700E-03     1.999882598        0.9998504459    
FOB,PFOB,DIAG,PSTEP=   -0.1313238083E-05   -0.1313434510E-05     588.5499307        0.2231609123E-08
J1,K1,R1,R2,RAT= 109 109     2.002521586       -0.2564803390E-02    0.9974351966    
FOB,PFOB,DIAG,PSTEP=   -0.7530349899E-04    0.7511085026E-04     13.77945782       -0.5451047082E-05
J1,K1,R1,R2,RAT= 110 110   -0.5014877915         70.56232238        0.4985122085    
FOB,PFOB,DIAG,PSTEP=    0.4355926199E-02    0.4294447823E-02     12.25919688       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     88.21128838        0.2308405570        0.7691594430    
FOB,PFOB,DIAG,PSTEP=    0.4334930895E-02   -0.4357678628E-02     9.854305138        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     90.30479324       -0.6661092386        0.3338907614    
FOB,PFOB,DIAG,PSTEP=   -0.4543966190E-02    0.4477422322E-02     9.165076321       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     387.1773033       -0.9034323430        0.9656765701E-01
FOB,PFOB,DIAG,PSTEP=   -0.1863334264E-01    0.1854658768E-01     7.309007841       -0.1313833264E-04
J1,K1,R1,R2,RAT= 114 114    0.9954216758        -688.8297740        0.4578324156E-02
FOB,PFOB,DIAG,PSTEP=   -0.6027922561       -0.6010525908         4.369166710       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00001      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00001 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000      0.00002 
     0.00002      0.00003     -0.00002     -0.00002      0.00001     -0.00002 
    -0.00001      0.00001      0.00000      0.00002     -0.00000      0.00005 
     0.00003      0.00003     -0.00006     -0.00002      0.00006      0.00000 
    -0.00001     -0.00002     -0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004     -0.00000     -0.00004     -0.00000     -0.00005     -0.00003 
    -0.00000      0.00006      0.00003      0.00004     -0.00003     -0.00001 
    -0.00004     -0.00004      0.00012     -0.00011      0.00001      0.00010 
    -0.00001      0.00007     -0.00005     -0.00001     -0.00012     -0.00001 
    -0.00008      0.00436      0.00433     -0.00454     -0.01863     -0.60279 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4299403834
 Log product of positive Hessian eigenvalues =          519.9248402558
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3691667102
 Unscaled step for mode    7=        0.0000000046
 Unscaled step for mode    8=        0.0000000062
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000016
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=        0.0000000057
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000116
 Unscaled step for mode   17=       -0.0000000093
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000355
 Unscaled step for mode   20=       -0.0000000200
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000155
 Unscaled step for mode   23=       -0.0000000003
 Unscaled step for mode   24=        0.0000000023
 Unscaled step for mode   25=        0.0000000524
 Unscaled step for mode   26=        0.0000000906
 Unscaled step for mode   27=        0.0000000472
 Unscaled step for mode   28=       -0.0000000337
 Unscaled step for mode   29=       -0.0000000178
 Unscaled step for mode   30=        0.0000000769
 Unscaled step for mode   31=        0.0000000395
 Unscaled step for mode   32=        0.0000000181
 Unscaled step for mode   33=       -0.0000000382
 Unscaled step for mode   34=       -0.0000000314
 Unscaled step for mode   35=       -0.0000000877
 Unscaled step for mode   36=       -0.0000000567
 Unscaled step for mode   37=        0.0000000624
 Unscaled step for mode   38=        0.0000000086
 Unscaled step for mode   39=        0.0000000746
 Unscaled step for mode   40=        0.0000000181
 Unscaled step for mode   41=        0.0000001459
 Unscaled step for mode   42=        0.0000000434
 Unscaled step for mode   43=       -0.0000000524
 Unscaled step for mode   44=        0.0000000980
 Unscaled step for mode   45=       -0.0000000049
 Unscaled step for mode   46=       -0.0000000999
 Unscaled step for mode   47=        0.0000001434
 Unscaled step for mode   48=       -0.0000000192
 Unscaled step for mode   49=        0.0000001128
 Unscaled step for mode   50=        0.0000000489
 Unscaled step for mode   51=        0.0000000781
 Unscaled step for mode   52=        0.0000000133
 Unscaled step for mode   53=        0.0000000677
 Unscaled step for mode   54=       -0.0000000873
 Unscaled step for mode   55=        0.0000001182
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000539
 Unscaled step for mode   58=       -0.0000001465
 Unscaled step for mode   59=       -0.0000000051
 Unscaled step for mode   60=       -0.0000001429
 Unscaled step for mode   61=       -0.0000001689
 Unscaled step for mode   62=       -0.0000002273
 Unscaled step for mode   63=        0.0000001742
 Unscaled step for mode   64=        0.0000001658
 Unscaled step for mode   65=       -0.0000000870
 Unscaled step for mode   66=        0.0000001962
 Unscaled step for mode   67=        0.0000000461
 Unscaled step for mode   68=       -0.0000000745
 Unscaled step for mode   69=       -0.0000000412
 Unscaled step for mode   70=       -0.0000002092
 Unscaled step for mode   71=        0.0000000444
 Unscaled step for mode   72=       -0.0000004851
 Unscaled step for mode   73=       -0.0000002438
 Unscaled step for mode   74=       -0.0000002961
 Unscaled step for mode   75=        0.0000006442
 Unscaled step for mode   76=        0.0000002073
 Unscaled step for mode   77=       -0.0000006651
 Unscaled step for mode   78=       -0.0000000051
 Unscaled step for mode   79=        0.0000001416
 Unscaled step for mode   80=        0.0000002432
 Unscaled step for mode   81=        0.0000002500
 Unscaled step for mode   82=        0.0000000281
 Unscaled step for mode   83=        0.0000001935
 Unscaled step for mode   84=        0.0000004850
 Unscaled step for mode   85=        0.0000005973
 Unscaled step for mode   86=        0.0000000528
 Unscaled step for mode   87=        0.0000006193
 Unscaled step for mode   88=        0.0000000463
 Unscaled step for mode   89=        0.0000008583
 Unscaled step for mode   90=        0.0000004816
 Unscaled step for mode   91=        0.0000000310
 Unscaled step for mode   92=       -0.0000010666
 Unscaled step for mode   93=       -0.0000006248
 Unscaled step for mode   94=       -0.0000008268
 Unscaled step for mode   95=        0.0000005354
 Unscaled step for mode   96=        0.0000001965
 Unscaled step for mode   97=        0.0000009274
 Unscaled step for mode   98=        0.0000009433
 Unscaled step for mode   99=       -0.0000031135
 Unscaled step for mode  100=        0.0000029586
 Unscaled step for mode  101=       -0.0000004090
 Unscaled step for mode  102=       -0.0000033108
 Unscaled step for mode  103=        0.0000001858
 Unscaled step for mode  104=       -0.0000026780
 Unscaled step for mode  105=        0.0000022943
 Unscaled step for mode  106=        0.0000004886
 Unscaled step for mode  107=        0.0000058294
 Unscaled step for mode  108=        0.0000007979
 Unscaled step for mode  109=        0.0000054649
 Unscaled step for mode  110=       -0.0003553190
 Unscaled step for mode  111=       -0.0004399022
 Unscaled step for mode  112=        0.0004957913
 Unscaled step for mode  113=        0.0025493503
 Unscaled step for mode  114=       -0.1354344179
 Largest modulus ratio of non-zero e/values=           167.4461148    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.919403E-16    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.400396E-15    0.100719E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.200848E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.106599E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.247817E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.318403E-15    0.973848E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.339219E-05    0.731600E+03  0.463667E-08 0.100000E-04    0.991109E+00
   8   -0.414977E-05    0.673315E+03  0.616319E-08 0.100000E-04    0.999792E+00
   9    0.135911E-06    0.626606E+03 -0.216900E-09 0.100000E-04    0.882464E+00
  10    0.188484E-05    0.604347E+03 -0.311881E-08 0.100000E-04    0.985821E+00
  11   -0.131324E-05    0.588550E+03  0.223131E-08 0.100000E-04    0.999850E+00
  12   -0.937775E-06    0.570215E+03  0.164460E-08 0.100000E-04    0.966764E+00
  13   -0.336742E-05    0.566710E+03  0.594205E-08 0.100000E-04    0.994198E+00
  14   -0.274084E-05    0.482204E+03  0.568400E-08 0.100000E-04    0.990578E+00
  15    0.178285E-05    0.465719E+03 -0.382817E-08 0.100000E-04    0.987674E+00
  16    0.533569E-05    0.461505E+03 -0.115615E-07 0.100000E-04    0.993946E+00
  17    0.411134E-05    0.441358E+03 -0.931519E-08 0.100000E-04    0.993565E+00
  18    0.492072E-05    0.429899E+03 -0.114462E-07 0.100000E-04    0.996910E+00
  19   -0.149767E-04    0.421703E+03  0.355149E-07 0.100000E-04    0.996544E+00
  20    0.814872E-05    0.407728E+03 -0.199857E-07 0.100000E-04    0.998914E+00
  21    0.728899E-05    0.397538E+03 -0.183353E-07 0.100000E-04    0.999485E+00
  22   -0.603418E-05    0.388848E+03  0.155181E-07 0.100000E-04    0.990040E+00
  23    0.957925E-07    0.367704E+03 -0.260515E-09 0.100000E-04    0.950853E+00
  24   -0.833233E-06    0.362004E+03  0.230173E-08 0.100000E-04    0.950005E+00
  25   -0.183915E-04    0.351052E+03  0.523897E-07 0.100000E-04    0.997750E+00
  26   -0.305146E-04    0.336796E+03  0.906027E-07 0.100000E-04    0.996959E+00
  27   -0.153670E-04    0.325587E+03  0.471977E-07 0.100000E-04    0.998188E+00
  28    0.108372E-04    0.321499E+03 -0.337083E-07 0.100000E-04    0.989254E+00
  29    0.570721E-05    0.320058E+03 -0.178318E-07 0.100000E-04    0.977645E+00
  30   -0.241103E-04    0.313400E+03  0.769315E-07 0.100000E-04    0.999729E+00
  31   -0.120140E-04    0.304273E+03  0.394841E-07 0.100000E-04    0.995771E+00
  32   -0.523301E-05    0.288335E+03  0.181491E-07 0.100000E-04    0.989304E+00
  33    0.106589E-04    0.278937E+03 -0.382125E-07 0.100000E-04    0.993264E+00
  34    0.849990E-05    0.270713E+03 -0.313982E-07 0.100000E-04    0.990348E+00
  35    0.233884E-04    0.266624E+03 -0.877205E-07 0.100000E-04    0.999933E+00
  36    0.149734E-04    0.263998E+03 -0.567180E-07 0.100000E-04    0.993835E+00
  37   -0.161820E-04    0.259199E+03  0.624307E-07 0.100000E-04    0.996279E+00
  38   -0.217091E-05    0.253857E+03  0.855168E-08 0.100000E-04    0.980429E+00
  39   -0.180897E-04    0.242392E+03  0.746300E-07 0.100000E-04    0.997223E+00
  40   -0.431377E-05    0.237941E+03  0.181296E-07 0.100000E-04    0.940008E+00
  41   -0.343503E-04    0.235415E+03  0.145913E-06 0.100000E-04    0.995738E+00
  42   -0.992438E-05    0.228608E+03  0.434123E-07 0.100000E-04    0.993953E+00
  43    0.115593E-04    0.220782E+03 -0.523561E-07 0.100000E-04    0.995569E+00
  44   -0.209166E-04    0.213536E+03  0.979535E-07 0.100000E-04    0.995289E+00
  45    0.104441E-05    0.212130E+03 -0.492342E-08 0.100000E-04    0.953066E+00
  46    0.207368E-04    0.207557E+03 -0.999086E-07 0.100000E-04    0.995432E+00
  47   -0.291727E-04    0.203498E+03  0.143356E-06 0.100000E-04    0.999383E+00
  48    0.378610E-05    0.197691E+03 -0.191516E-07 0.100000E-04    0.992950E+00
  49   -0.220398E-04    0.195365E+03  0.112813E-06 0.100000E-04    0.998150E+00
  50   -0.936600E-05    0.191562E+03  0.488929E-07 0.100000E-04    0.990424E+00
  51   -0.144229E-04    0.184580E+03  0.781392E-07 0.100000E-04    0.999368E+00
  52   -0.233386E-05    0.175426E+03  0.133040E-07 0.100000E-04    0.994535E+00
  53   -0.116289E-04    0.171673E+03  0.677388E-07 0.100000E-04    0.997477E+00
  54    0.146301E-04    0.167557E+03 -0.873143E-07 0.100000E-04    0.996597E+00
  55   -0.195260E-04    0.165224E+03  0.118178E-06 0.100000E-04    0.998910E+00
  56   -0.594424E-05    0.159303E+03  0.373140E-07 0.100000E-04    0.991290E+00
  57   -0.829657E-05    0.153816E+03  0.539382E-07 0.100000E-04    0.994505E+00
  58    0.221541E-04    0.151181E+03 -0.146540E-06 0.100000E-04    0.997167E+00
  59    0.766496E-06    0.148876E+03 -0.514856E-08 0.100000E-04    0.877705E+00
  60    0.204590E-04    0.143198E+03 -0.142872E-06 0.100000E-04    0.999360E+00
  61    0.231510E-04    0.137046E+03 -0.168929E-06 0.100000E-04    0.992158E+00
  62    0.308501E-04    0.135714E+03 -0.227317E-06 0.100000E-04    0.999427E+00
  63   -0.227654E-04    0.130718E+03  0.174156E-06 0.100000E-04    0.996258E+00
  64   -0.212067E-04    0.127924E+03  0.165775E-06 0.100000E-04    0.993913E+00
  65    0.109680E-04    0.126063E+03 -0.870036E-07 0.100000E-04    0.975988E+00
  66   -0.246420E-04    0.125587E+03  0.196214E-06 0.100000E-04    0.999314E+00
  67   -0.552226E-05    0.119684E+03  0.461402E-07 0.100000E-04    0.996290E+00
  68    0.879118E-05    0.118041E+03 -0.744754E-07 0.100000E-04    0.997718E+00
  69    0.482425E-05    0.116969E+03 -0.412437E-07 0.100000E-04    0.988542E+00
  70    0.232639E-04    0.111211E+03 -0.209188E-06 0.100000E-04    0.998882E+00
  71   -0.480665E-05    0.108156E+03  0.444418E-07 0.100000E-04    0.992772E+00
  72    0.508581E-04    0.104851E+03 -0.485050E-06 0.100000E-04    0.993887E+00
  73    0.251273E-04    0.103063E+03 -0.243805E-06 0.100000E-04    0.997085E+00
  74    0.295573E-04    0.998247E+02 -0.296092E-06 0.100000E-04    0.998255E+00
  75   -0.619122E-04    0.961050E+02  0.644214E-06 0.100000E-04    0.994134E+00
  76   -0.196973E-04    0.950121E+02  0.207313E-06 0.100000E-04    0.980940E+00
  77    0.615483E-04    0.925458E+02 -0.665058E-06 0.100000E-04    0.998450E+00
  78    0.464629E-06    0.904035E+02 -0.513950E-08 0.100000E-04    0.908840E+00
  79   -0.127158E-04    0.898131E+02  0.141581E-06 0.100000E-04    0.997775E+00
  80   -0.206464E-04    0.849021E+02  0.243179E-06 0.100000E-04    0.999668E+00
  81   -0.202277E-04    0.809171E+02  0.249981E-06 0.100000E-04    0.996318E+00
  82   -0.223849E-05    0.797368E+02  0.280735E-07 0.100000E-04    0.967209E+00
  83   -0.151605E-04    0.783314E+02  0.193543E-06 0.100000E-04    0.994892E+00
  84   -0.352809E-04    0.727463E+02  0.484986E-06 0.100000E-04    0.993453E+00
  85   -0.430457E-04    0.720728E+02  0.597252E-06 0.100000E-04    0.996294E+00
  86   -0.360383E-05    0.682931E+02  0.527700E-07 0.100000E-04    0.942250E+00
  87   -0.414618E-04    0.669494E+02  0.619300E-06 0.100000E-04    0.999199E+00
  88   -0.293139E-05    0.632903E+02  0.463165E-07 0.100000E-04    0.971840E+00
  89   -0.518604E-04    0.604252E+02  0.858257E-06 0.100000E-04    0.998934E+00
  90   -0.287537E-04    0.597070E+02  0.481580E-06 0.100000E-04    0.988165E+00
  91   -0.183080E-05    0.590463E+02  0.310062E-07 0.100000E-04    0.941719E+00
  92    0.597479E-04    0.560166E+02 -0.106661E-05 0.100000E-04    0.999412E+00
  93    0.330477E-04    0.528937E+02 -0.624795E-06 0.100000E-04    0.999396E+00
  94    0.432121E-04    0.522625E+02 -0.826827E-06 0.100000E-04    0.994329E+00
  95   -0.268337E-04    0.501151E+02  0.535440E-06 0.100000E-04    0.998066E+00
  96   -0.936705E-05    0.476659E+02  0.196515E-06 0.100000E-04    0.987343E+00
  97   -0.398060E-04    0.429232E+02  0.927377E-06 0.100000E-04    0.994539E+00
  98   -0.380269E-04    0.403124E+02  0.943305E-06 0.100000E-04    0.994782E+00
  99    0.116098E-03    0.372888E+02 -0.311347E-05 0.100000E-04    0.995608E+00
 100   -0.106677E-03    0.360560E+02  0.295865E-05 0.100000E-04    0.996987E+00
 101    0.143064E-04    0.349747E+02 -0.409048E-06 0.100000E-04    0.971447E+00
 102    0.954486E-04    0.288292E+02 -0.331083E-05 0.100000E-04    0.996288E+00
 103   -0.533145E-05    0.286884E+02  0.185840E-06 0.100000E-04    0.906188E+00
 104    0.742953E-04    0.277431E+02 -0.267798E-05 0.100000E-04    0.988127E+00
 105   -0.526337E-04    0.229406E+02  0.229434E-05 0.100000E-04    0.999210E+00
 106   -0.105375E-04    0.215658E+02  0.488621E-06 0.100000E-04    0.908303E+00
 107   -0.118084E-03    0.202567E+02  0.582941E-05 0.100000E-04    0.994161E+00
 108   -0.134228E-04    0.168233E+02  0.797867E-06 0.100000E-04    0.958855E+00
 109   -0.753035E-04    0.137795E+02  0.546491E-05 0.100000E-04    0.997435E+00
 110    0.435593E-02    0.122592E+02 -0.100000E-04 0.100000E-04    0.498512E+00
 111    0.433493E-02    0.985431E+01 -0.100000E-04 0.100000E-04    0.769159E+00
 112   -0.454397E-02    0.916508E+01  0.100000E-04 0.100000E-04    0.333891E+00
 113   -0.186333E-01    0.730901E+01  0.143208E-04 0.143208E-04    0.965677E-01
 114   -0.602792E+00    0.436917E+01 -0.400000E-03 0.400000E-03    0.457832E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1354344179    

 Beginning of optimization cycle  301.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3637423400
 potential> RMS force:                                               0.0566511598   |gradient|=.6048688660    
 Eigenvalues of the Hessian matrix:
   731.66203    673.32412    626.61813    604.34171    588.54034    570.25758 
   566.71838    482.22804    465.69528    461.49797    441.35931    429.89088 
   421.70751    407.73651    397.53273    388.84778    367.71065    361.99478 
   351.04514    336.77246    325.59797    321.49717    320.06676    313.37353 
   304.26277    288.34270    278.93124    270.71337    266.63297    264.00603 
   259.21144    253.85956    242.38738    237.95057    235.40493    228.60490 
   220.76170    213.54343    212.13538    207.54944    203.50008    197.68564 
   195.36241    191.56056    184.56966    175.41375    171.67910    167.55616 
   165.21850    159.29370    153.82089    151.18543    148.86919    143.20069 
   137.04768    135.71770    130.71640    127.92828    126.06400    125.58825 
   119.68631    118.04237    116.97118    111.20461    108.14650    104.84816 
   103.06422     99.82298     96.09719     95.00794     92.55852     90.40547 
    89.81144     84.90494     80.91703     79.73931     78.33009     72.74723 
    72.07739     68.29278     66.93686     63.28807     60.41563     59.70787 
    59.04729     56.01739     52.88987     52.26332     50.11376     47.66223 
    42.92153     40.31486     37.29296     36.06000     34.96326     28.82868 
    28.68737     27.73484     22.94182     21.56015     20.26150     16.82316 
    13.77976     12.25875      9.85533      9.15674      7.30411      4.36476 
overlap for current and previous eigenvector    109 is        -0.9999995744
overlap for current and previous eigenvector    110 is         0.9999994485
overlap for current and previous eigenvector    111 is         0.9999911355
overlap for current and previous eigenvector    112 is         0.9999855025
overlap for current and previous eigenvector    113 is         0.9999942115
overlap for current and previous eigenvector    114 is         0.9999997060
J1,K1,R1,R2,RAT=   7   7   -0.7435961774E-02     2.007266373        0.9925640382    
FOB,PFOB,DIAG,PSTEP=   -0.3417413367E-05   -0.3392187054E-05     731.6620313        0.4636669080E-08
J1,K1,R1,R2,RAT=   8   8   -0.8683443186E-02     2.008655104        0.9913165568    
FOB,PFOB,DIAG,PSTEP=   -0.4185802565E-05   -0.4149767782E-05     673.3241187        0.6163193130E-08
J1,K1,R1,R2,RAT=   9   9   -0.1505964499E-01     2.015020084        0.9849403550    
FOB,PFOB,DIAG,PSTEP=    0.1379575136E-06    0.1359107062E-06     626.6181269       -0.2168998770E-09
J1,K1,R1,R2,RAT=  10  10    0.7378366382E-02     1.992639125        0.9926216336    
FOB,PFOB,DIAG,PSTEP=    0.1870934902E-05    0.1884841834E-05     604.3417098       -0.3118807322E-08
J1,K1,R1,R2,RAT=  11  11   -0.8128092332E-02     2.008160691        0.9918719077    
FOB,PFOB,DIAG,PSTEP=   -0.1323912030E-05   -0.1313238083E-05     588.5403379        0.2231311253E-08
J1,K1,R1,R2,RAT= 109 109     1.994763302        0.5193489079E-02    0.9947633017    
FOB,PFOB,DIAG,PSTEP=    0.7491240264E-04   -0.7530349899E-04     13.77975552        0.5464910157E-05
J1,K1,R1,R2,RAT= 110 110   -0.4988594490         71.56528638        0.5011405510    
FOB,PFOB,DIAG,PSTEP=    0.4417080109E-02    0.4355926199E-02     12.25874548       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2394404665         87.73184681        0.7605595335    
FOB,PFOB,DIAG,PSTEP=    0.4311333244E-02    0.4334930895E-02     9.855331278       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8109620548         100.0595488        0.1890379452    
FOB,PFOB,DIAG,PSTEP=   -0.4618223855E-02   -0.4543966190E-02     9.156737318        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7490823309         357.0251859        0.2509176691    
FOB,PFOB,DIAG,PSTEP=   -0.1871169708E-01   -0.1863334264E-01     7.304110263        0.1432078257E-04
J1,K1,R1,R2,RAT= 114 114    0.9954034219        -691.5175123        0.4596578140E-02
FOB,PFOB,DIAG,PSTEP=   -0.6045301338       -0.6027922561         4.364757105       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002      0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00002      0.00003     -0.00002      0.00002     -0.00001      0.00002 
     0.00001     -0.00001     -0.00000     -0.00002     -0.00000      0.00005 
     0.00003      0.00003      0.00006      0.00002     -0.00006      0.00000 
    -0.00001     -0.00002     -0.00002      0.00000      0.00002     -0.00004 
    -0.00004      0.00000      0.00004      0.00000     -0.00005     -0.00003 
    -0.00000      0.00006     -0.00003     -0.00004     -0.00003     -0.00001 
    -0.00004     -0.00004     -0.00012      0.00011     -0.00001     -0.00010 
     0.00001     -0.00007      0.00005      0.00001      0.00012      0.00001 
     0.00007      0.00442      0.00431     -0.00462     -0.01871     -0.60453 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4298164532
 Log product of positive Hessian eigenvalues =          519.9213380223
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3647571048
 Unscaled step for mode    7=        0.0000000047
 Unscaled step for mode    8=        0.0000000062
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000056
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000116
 Unscaled step for mode   17=       -0.0000000093
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000356
 Unscaled step for mode   20=       -0.0000000199
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000156
 Unscaled step for mode   23=       -0.0000000003
 Unscaled step for mode   24=        0.0000000023
 Unscaled step for mode   25=        0.0000000526
 Unscaled step for mode   26=        0.0000000908
 Unscaled step for mode   27=        0.0000000474
 Unscaled step for mode   28=       -0.0000000340
 Unscaled step for mode   29=       -0.0000000181
 Unscaled step for mode   30=        0.0000000771
 Unscaled step for mode   31=        0.0000000398
 Unscaled step for mode   32=        0.0000000182
 Unscaled step for mode   33=       -0.0000000382
 Unscaled step for mode   34=       -0.0000000315
 Unscaled step for mode   35=       -0.0000000878
 Unscaled step for mode   36=       -0.0000000570
 Unscaled step for mode   37=        0.0000000627
 Unscaled step for mode   38=        0.0000000085
 Unscaled step for mode   39=        0.0000000747
 Unscaled step for mode   40=        0.0000000190
 Unscaled step for mode   41=        0.0000001465
 Unscaled step for mode   42=        0.0000000436
 Unscaled step for mode   43=       -0.0000000528
 Unscaled step for mode   44=        0.0000000986
 Unscaled step for mode   45=       -0.0000000046
 Unscaled step for mode   46=       -0.0000001004
 Unscaled step for mode   47=        0.0000001436
 Unscaled step for mode   48=       -0.0000000193
 Unscaled step for mode   49=        0.0000001134
 Unscaled step for mode   50=        0.0000000486
 Unscaled step for mode   51=        0.0000000786
 Unscaled step for mode   52=        0.0000000135
 Unscaled step for mode   53=        0.0000000680
 Unscaled step for mode   54=       -0.0000000880
 Unscaled step for mode   55=        0.0000001183
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000544
 Unscaled step for mode   58=        0.0000001469
 Unscaled step for mode   59=        0.0000000050
 Unscaled step for mode   60=        0.0000001435
 Unscaled step for mode   61=       -0.0000001696
 Unscaled step for mode   62=       -0.0000002270
 Unscaled step for mode   63=        0.0000001739
 Unscaled step for mode   64=       -0.0000001670
 Unscaled step for mode   65=        0.0000000889
 Unscaled step for mode   66=       -0.0000001953
 Unscaled step for mode   67=       -0.0000000466
 Unscaled step for mode   68=        0.0000000746
 Unscaled step for mode   69=        0.0000000413
 Unscaled step for mode   70=        0.0000002103
 Unscaled step for mode   71=        0.0000000446
 Unscaled step for mode   72=       -0.0000004863
 Unscaled step for mode   73=       -0.0000002448
 Unscaled step for mode   74=       -0.0000002954
 Unscaled step for mode   75=       -0.0000006483
 Unscaled step for mode   76=       -0.0000002039
 Unscaled step for mode   77=        0.0000006649
 Unscaled step for mode   78=       -0.0000000037
 Unscaled step for mode   79=        0.0000001392
 Unscaled step for mode   80=        0.0000002442
 Unscaled step for mode   81=        0.0000002504
 Unscaled step for mode   82=       -0.0000000258
 Unscaled step for mode   83=       -0.0000001951
 Unscaled step for mode   84=        0.0000004861
 Unscaled step for mode   85=        0.0000005968
 Unscaled step for mode   86=       -0.0000000489
 Unscaled step for mode   87=       -0.0000006211
 Unscaled step for mode   88=       -0.0000000469
 Unscaled step for mode   89=        0.0000008600
 Unscaled step for mode   90=        0.0000004831
 Unscaled step for mode   91=        0.0000000323
 Unscaled step for mode   92=       -0.0000010697
 Unscaled step for mode   93=        0.0000006207
 Unscaled step for mode   94=        0.0000008276
 Unscaled step for mode   95=        0.0000005305
 Unscaled step for mode   96=        0.0000001963
 Unscaled step for mode   97=        0.0000009272
 Unscaled step for mode   98=        0.0000009470
 Unscaled step for mode   99=        0.0000031158
 Unscaled step for mode  100=       -0.0000029545
 Unscaled step for mode  101=        0.0000004121
 Unscaled step for mode  102=        0.0000033110
 Unscaled step for mode  103=       -0.0000002028
 Unscaled step for mode  104=        0.0000026755
 Unscaled step for mode  105=       -0.0000023078
 Unscaled step for mode  106=       -0.0000004672
 Unscaled step for mode  107=       -0.0000058421
 Unscaled step for mode  108=       -0.0000007785
 Unscaled step for mode  109=       -0.0000054364
 Unscaled step for mode  110=       -0.0003603207
 Unscaled step for mode  111=       -0.0004374619
 Unscaled step for mode  112=        0.0005043524
 Unscaled step for mode  113=        0.0025617869
 Unscaled step for mode  114=       -0.1359429868
 Largest modulus ratio of non-zero e/values=           167.6294955    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.405275E-15    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.120867E-14    0.100719E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.157894E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.817922E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.843726E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.666486E-15    0.973850E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.341741E-05    0.731662E+03  0.467075E-08 0.100000E-04    0.992564E+00
   8   -0.418580E-05    0.673324E+03  0.621662E-08 0.100000E-04    0.991317E+00
   9    0.137958E-06    0.626618E+03 -0.220162E-09 0.100000E-04    0.984940E+00
  10    0.187093E-05    0.604342E+03 -0.309582E-08 0.100000E-04    0.992622E+00
  11   -0.132391E-05    0.588540E+03  0.224948E-08 0.100000E-04    0.991872E+00
  12   -0.978308E-06    0.570258E+03  0.171555E-08 0.100000E-04    0.956781E+00
  13   -0.339747E-05    0.566718E+03  0.599498E-08 0.100000E-04    0.991077E+00
  14   -0.269851E-05    0.482228E+03  0.559592E-08 0.100000E-04    0.984453E+00
  15    0.180514E-05    0.465695E+03 -0.387622E-08 0.100000E-04    0.987499E+00
  16    0.535104E-05    0.461498E+03 -0.115949E-07 0.100000E-04    0.997123E+00
  17    0.411616E-05    0.441359E+03 -0.932609E-08 0.100000E-04    0.998827E+00
  18    0.494505E-05    0.429891E+03 -0.115030E-07 0.100000E-04    0.995056E+00
  19   -0.150118E-04    0.421708E+03  0.355977E-07 0.100000E-04    0.997657E+00
  20    0.813039E-05    0.407737E+03 -0.199403E-07 0.100000E-04    0.997708E+00
  21    0.728431E-05    0.397533E+03 -0.183238E-07 0.100000E-04    0.999359E+00
  22   -0.605455E-05    0.388848E+03  0.155705E-07 0.100000E-04    0.996624E+00
  23    0.109296E-06    0.367711E+03 -0.297233E-09 0.100000E-04    0.859037E+00
  24   -0.846574E-06    0.361995E+03  0.233864E-08 0.100000E-04    0.983989E+00
  25   -0.184526E-04    0.351045E+03  0.525647E-07 0.100000E-04    0.996680E+00
  26   -0.305762E-04    0.336772E+03  0.907918E-07 0.100000E-04    0.997982E+00
  27   -0.154186E-04    0.325598E+03  0.473546E-07 0.100000E-04    0.996642E+00
  28    0.109433E-04    0.321497E+03 -0.340385E-07 0.100000E-04    0.990210E+00
  29    0.578448E-05    0.320067E+03 -0.180727E-07 0.100000E-04    0.986461E+00
  30   -0.241580E-04    0.313374E+03  0.770901E-07 0.100000E-04    0.998023E+00
  31   -0.121138E-04    0.304263E+03  0.398136E-07 0.100000E-04    0.991688E+00
  32   -0.524137E-05    0.288343E+03  0.181776E-07 0.100000E-04    0.998403E+00
  33    0.106661E-04    0.278931E+03 -0.382393E-07 0.100000E-04    0.999318E+00
  34    0.853701E-05    0.270713E+03 -0.315352E-07 0.100000E-04    0.995634E+00
  35    0.234206E-04    0.266633E+03 -0.878383E-07 0.100000E-04    0.998624E+00
  36    0.150441E-04    0.264006E+03 -0.569841E-07 0.100000E-04    0.995276E+00
  37   -0.162445E-04    0.259211E+03  0.626689E-07 0.100000E-04    0.996136E+00
  38   -0.214578E-05    0.253860E+03  0.845263E-08 0.100000E-04    0.988409E+00
  39   -0.181183E-04    0.242387E+03  0.747495E-07 0.100000E-04    0.998417E+00
  40   -0.451194E-05    0.237951E+03  0.189617E-07 0.100000E-04    0.954063E+00
  41   -0.344776E-04    0.235405E+03  0.146461E-06 0.100000E-04    0.996295E+00
  42   -0.996917E-05    0.228605E+03  0.436087E-07 0.100000E-04    0.995488E+00
  43    0.116556E-04    0.220762E+03 -0.527972E-07 0.100000E-04    0.991668E+00
  44   -0.210456E-04    0.213543E+03  0.985544E-07 0.100000E-04    0.993829E+00
  45    0.980105E-06    0.212135E+03 -0.462019E-08 0.100000E-04    0.938383E+00
  46    0.208476E-04    0.207549E+03 -0.100447E-06 0.100000E-04    0.994653E+00
  47   -0.292146E-04    0.203500E+03  0.143560E-06 0.100000E-04    0.998564E+00
  48    0.382479E-05    0.197686E+03 -0.193478E-07 0.100000E-04    0.989783E+00
  49   -0.221511E-04    0.195362E+03  0.113385E-06 0.100000E-04    0.994949E+00
  50   -0.931195E-05    0.191561E+03  0.486110E-07 0.100000E-04    0.994230E+00
  51   -0.145094E-04    0.184570E+03  0.786118E-07 0.100000E-04    0.994007E+00
  52   -0.237463E-05    0.175414E+03  0.135373E-07 0.100000E-04    0.982530E+00
  53   -0.116770E-04    0.171679E+03  0.680162E-07 0.100000E-04    0.995870E+00
  54    0.147445E-04    0.167556E+03 -0.879976E-07 0.100000E-04    0.992179E+00
  55   -0.195473E-04    0.165219E+03  0.118312E-06 0.100000E-04    0.998905E+00
  56    0.589343E-05    0.159294E+03 -0.369973E-07 0.100000E-04    0.991451E+00
  57    0.836824E-05    0.153821E+03 -0.544025E-07 0.100000E-04    0.991362E+00
  58   -0.222104E-04    0.151185E+03  0.146908E-06 0.100000E-04    0.997458E+00
  59   -0.743240E-06    0.148869E+03  0.499257E-08 0.100000E-04    0.969659E+00
  60   -0.205562E-04    0.143201E+03  0.143548E-06 0.100000E-04    0.995250E+00
  61    0.232446E-04    0.137048E+03 -0.169610E-06 0.100000E-04    0.995955E+00
  62    0.308047E-04    0.135718E+03 -0.226976E-06 0.100000E-04    0.998470E+00
  63   -0.227312E-04    0.130716E+03  0.173897E-06 0.100000E-04    0.998498E+00
  64    0.213700E-04    0.127928E+03 -0.167047E-06 0.100000E-04    0.992298E+00
  65   -0.112054E-04    0.126064E+03  0.888865E-07 0.100000E-04    0.978352E+00
  66    0.245240E-04    0.125588E+03 -0.195273E-06 0.100000E-04    0.995196E+00
  67    0.557888E-05    0.119686E+03 -0.466126E-07 0.100000E-04    0.989746E+00
  68   -0.880564E-05    0.118042E+03  0.745973E-07 0.100000E-04    0.998356E+00
  69   -0.483319E-05    0.116971E+03  0.413195E-07 0.100000E-04    0.998147E+00
  70   -0.233896E-04    0.111205E+03  0.210330E-06 0.100000E-04    0.994596E+00
  71   -0.482272E-05    0.108147E+03  0.445943E-07 0.100000E-04    0.996657E+00
  72    0.509894E-04    0.104848E+03 -0.486317E-06 0.100000E-04    0.997419E+00
  73    0.252275E-04    0.103064E+03 -0.244774E-06 0.100000E-04    0.996014E+00
  74    0.294864E-04    0.998230E+02 -0.295387E-06 0.100000E-04    0.997602E+00
  75    0.623026E-04    0.960972E+02 -0.648329E-06 0.100000E-04    0.993693E+00
  76    0.193732E-04    0.950079E+02 -0.203911E-06 0.100000E-04    0.983546E+00
  77   -0.615392E-04    0.925585E+02  0.664868E-06 0.100000E-04    0.999576E+00
  78    0.333843E-06    0.904055E+02 -0.369274E-08 0.100000E-04    0.718480E+00
  79   -0.125058E-04    0.898114E+02  0.139245E-06 0.100000E-04    0.983484E+00
  80   -0.207358E-04    0.849049E+02  0.244223E-06 0.100000E-04    0.995674E+00
  81   -0.202599E-04    0.809170E+02  0.250379E-06 0.100000E-04    0.998409E+00
  82    0.205515E-05    0.797393E+02 -0.257733E-07 0.100000E-04    0.918033E+00
  83    0.152829E-04    0.783301E+02 -0.195109E-06 0.100000E-04    0.991924E+00
  84   -0.353607E-04    0.727472E+02  0.486076E-06 0.100000E-04    0.997739E+00
  85   -0.430134E-04    0.720774E+02  0.596767E-06 0.100000E-04    0.999125E+00
  86    0.333917E-05    0.682928E+02 -0.488950E-07 0.100000E-04    0.926563E+00
  87    0.415734E-04    0.669369E+02 -0.621085E-06 0.100000E-04    0.997307E+00
  88    0.296572E-05    0.632881E+02 -0.468606E-07 0.100000E-04    0.988288E+00
  89   -0.519550E-04    0.604156E+02  0.859959E-06 0.100000E-04    0.998175E+00
  90   -0.288448E-04    0.597079E+02  0.483099E-06 0.100000E-04    0.996831E+00
  91   -0.190747E-05    0.590473E+02  0.323042E-07 0.100000E-04    0.958121E+00
  92    0.599195E-04    0.560174E+02 -0.106966E-05 0.100000E-04    0.997128E+00
  93   -0.328300E-04    0.528899E+02  0.620723E-06 0.100000E-04    0.993410E+00
  94   -0.432523E-04    0.522633E+02  0.827584E-06 0.100000E-04    0.999069E+00
  95   -0.265835E-04    0.501138E+02  0.530464E-06 0.100000E-04    0.990678E+00
  96   -0.935503E-05    0.476622E+02  0.196278E-06 0.100000E-04    0.998716E+00
  97   -0.397980E-04    0.429215E+02  0.927228E-06 0.100000E-04    0.999799E+00
  98   -0.381801E-04    0.403149E+02  0.947048E-06 0.100000E-04    0.995970E+00
  99   -0.116198E-03    0.372930E+02  0.311583E-05 0.100000E-04    0.999131E+00
 100    0.106540E-03    0.360600E+02 -0.295453E-05 0.100000E-04    0.998500E+00
 101   -0.144079E-04    0.349633E+02  0.412086E-06 0.100000E-04    0.992903E+00
 102   -0.954515E-04    0.288287E+02  0.331099E-05 0.100000E-04    0.999969E+00
 103    0.581867E-05    0.286874E+02 -0.202830E-06 0.100000E-04    0.908610E+00
 104   -0.742038E-04    0.277348E+02  0.267547E-05 0.100000E-04    0.998768E+00
 105    0.529456E-04    0.229418E+02 -0.230782E-05 0.100000E-04    0.994074E+00
 106    0.100732E-04    0.215601E+02 -0.467213E-06 0.100000E-04    0.955925E+00
 107    0.118369E-03    0.202615E+02 -0.584208E-05 0.100000E-04    0.997588E+00
 108    0.130962E-04    0.168232E+02 -0.778465E-06 0.100000E-04    0.975671E+00
 109    0.749124E-04    0.137798E+02 -0.543641E-05 0.100000E-04    0.994763E+00
 110    0.441708E-02    0.122587E+02 -0.100000E-04 0.100000E-04    0.501141E+00
 111    0.431133E-02    0.985533E+01 -0.100000E-04 0.100000E-04    0.760560E+00
 112   -0.461822E-02    0.915674E+01  0.109000E-04 0.109000E-04    0.189038E+00
 113   -0.187117E-01    0.730411E+01  0.129016E-04 0.129016E-04    0.250918E+00
 114   -0.604530E+00    0.436476E+01 -0.400000E-03 0.400000E-03    0.459658E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1359429868    

 Beginning of optimization cycle  302.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3635005572
 potential> RMS force:                                               0.0568139982   |gradient|=.6066075050    
 Eigenvalues of the Hessian matrix:
   731.72409    673.33379    626.63057    604.33612    588.53086    570.30020 
   566.72647    482.25260    465.67197    461.49065    441.36019    429.88292 
   421.71230    407.74502    397.52771    388.84747    367.71705    361.98578 
   351.03767    336.74933    325.60890    321.49540    320.07500    313.34707 
   304.25253    288.35089    278.92590    270.71391    266.64166    264.01434 
   259.22381    253.86169    242.38285    237.95973    235.39427    228.60207 
   220.74117    213.55119    212.14090    207.54176    203.50231    197.67994 
   195.35952    191.55956    184.55943    175.40193    171.68511    167.55537 
   165.21265    159.28404    153.82559    151.19018    148.86258    143.20316 
   137.04948    135.72156    130.71474    127.93234    126.06480    125.58896 
   119.68820    118.04334    116.97304    111.19837    108.13711    104.84510 
   103.06523     99.82126     96.08947     95.00371     92.57125     90.40749 
    89.80971     84.90775     80.91700     79.74183     78.32877     72.74824 
    72.08199     68.29259     66.92431     63.28582     60.40611     59.70873 
    59.04834     56.01825     52.88610     52.26413     50.11240     47.65862 
    42.91986     40.31734     37.29719     36.06404     34.95183     28.82817 
    28.68630     27.72662     22.94300     21.55449     20.26636     16.82298 
    13.78006     12.25830      9.85637      9.14847      7.29918      4.36033 
overlap for current and previous eigenvector    109 is         0.9999995809
overlap for current and previous eigenvector    110 is         0.9999994526
overlap for current and previous eigenvector    111 is         0.9999917446
overlap for current and previous eigenvector    112 is         0.9999861079
overlap for current and previous eigenvector    113 is         0.9999942093
overlap for current and previous eigenvector    114 is         0.9999997066
J1,K1,R1,R2,RAT=   7   7   -0.8859115631E-02     2.008689505        0.9911408844    
FOB,PFOB,DIAG,PSTEP=   -0.3447691195E-05   -0.3417413367E-05     731.7240853        0.4670754010E-08
J1,K1,R1,R2,RAT=   8   8    0.1286772877E-03     1.999842597        0.9998425971    
FOB,PFOB,DIAG,PSTEP=   -0.4185263940E-05   -0.4185802565E-05     673.3337896        0.6216623538E-08
J1,K1,R1,R2,RAT=   9   9    0.1305542545         1.869406034        0.8694060339    
FOB,PFOB,DIAG,PSTEP=    0.1199462156E-06    0.1379575136E-06     626.6305691       -0.2201620217E-09
J1,K1,R1,R2,RAT=  10  10   -0.1387607756E-01     2.013894575        0.9861239224    
FOB,PFOB,DIAG,PSTEP=    0.1896895899E-05    0.1870934902E-05     604.3361205       -0.3095822895E-08
J1,K1,R1,R2,RAT=  11  11    0.2537939504E-03     1.999778402        0.9997462060    
FOB,PFOB,DIAG,PSTEP=   -0.1323576034E-05   -0.1323912030E-05     588.5308638        0.2249483925E-08
J1,K1,R1,R2,RAT= 109 109   -0.2374036613E-02     2.002329756        0.9976259634    
FOB,PFOB,DIAG,PSTEP=    0.7509025136E-04    0.7491240264E-04     13.78006062       -0.5436410138E-05
J1,K1,R1,R2,RAT= 110 110   -0.5077412296         72.57452868        0.4922587704    
FOB,PFOB,DIAG,PSTEP=    0.4479320533E-02    0.4417080109E-02     12.25829613       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2367743352         87.24637213        0.7632256648    
FOB,PFOB,DIAG,PSTEP=    0.4287995879E-02    0.4311333244E-02     9.856374440       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6581342387         93.28352224        0.3418657613    
FOB,PFOB,DIAG,PSTEP=   -0.4683851893E-02   -0.4618223855E-02     9.148469357        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9426266635         398.3404709        0.5737333654E-01
FOB,PFOB,DIAG,PSTEP=   -0.1880046528E-01   -0.1871169708E-01     7.299176993        0.1290160592E-04
J1,K1,R1,R2,RAT= 114 114    0.9953769918        -694.2112680        0.4623008229E-02
FOB,PFOB,DIAG,PSTEP=   -0.6062662030       -0.6045301338         4.360330898       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002      0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00002      0.00003     -0.00002     -0.00002      0.00001     -0.00002 
     0.00001     -0.00001     -0.00000     -0.00002     -0.00000      0.00005 
    -0.00003      0.00003     -0.00006     -0.00002     -0.00006      0.00000 
    -0.00001     -0.00002     -0.00002     -0.00000      0.00002     -0.00004 
    -0.00004      0.00000      0.00004      0.00000     -0.00005     -0.00003 
    -0.00000     -0.00006     -0.00003     -0.00004     -0.00003     -0.00001 
    -0.00004     -0.00004     -0.00012      0.00011     -0.00001     -0.00010 
     0.00001     -0.00008      0.00005      0.00001      0.00012      0.00001 
     0.00008      0.00448      0.00429     -0.00468     -0.01880     -0.60627 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4296868560
 Log product of positive Hessian eigenvalues =          519.9178450107
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3603308984
 Unscaled step for mode    7=        0.0000000047
 Unscaled step for mode    8=        0.0000000062
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000055
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000117
 Unscaled step for mode   17=       -0.0000000094
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000357
 Unscaled step for mode   20=       -0.0000000199
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000157
 Unscaled step for mode   23=       -0.0000000003
 Unscaled step for mode   24=        0.0000000025
 Unscaled step for mode   25=        0.0000000527
 Unscaled step for mode   26=        0.0000000911
 Unscaled step for mode   27=        0.0000000474
 Unscaled step for mode   28=       -0.0000000344
 Unscaled step for mode   29=       -0.0000000185
 Unscaled step for mode   30=        0.0000000771
 Unscaled step for mode   31=        0.0000000400
 Unscaled step for mode   32=        0.0000000184
 Unscaled step for mode   33=       -0.0000000385
 Unscaled step for mode   34=       -0.0000000318
 Unscaled step for mode   35=       -0.0000000878
 Unscaled step for mode   36=       -0.0000000573
 Unscaled step for mode   37=        0.0000000629
 Unscaled step for mode   38=        0.0000000083
 Unscaled step for mode   39=        0.0000000750
 Unscaled step for mode   40=        0.0000000200
 Unscaled step for mode   41=        0.0000001471
 Unscaled step for mode   42=        0.0000000439
 Unscaled step for mode   43=       -0.0000000530
 Unscaled step for mode   44=        0.0000000990
 Unscaled step for mode   45=       -0.0000000048
 Unscaled step for mode   46=       -0.0000001009
 Unscaled step for mode   47=        0.0000001436
 Unscaled step for mode   48=       -0.0000000195
 Unscaled step for mode   49=        0.0000001136
 Unscaled step for mode   50=        0.0000000491
 Unscaled step for mode   51=        0.0000000787
 Unscaled step for mode   52=        0.0000000136
 Unscaled step for mode   53=        0.0000000682
 Unscaled step for mode   54=       -0.0000000883
 Unscaled step for mode   55=        0.0000001184
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=       -0.0000000547
 Unscaled step for mode   58=        0.0000001473
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000001436
 Unscaled step for mode   61=       -0.0000001709
 Unscaled step for mode   62=       -0.0000002271
 Unscaled step for mode   63=        0.0000001745
 Unscaled step for mode   64=        0.0000001680
 Unscaled step for mode   65=       -0.0000000909
 Unscaled step for mode   66=        0.0000001951
 Unscaled step for mode   67=       -0.0000000468
 Unscaled step for mode   68=        0.0000000748
 Unscaled step for mode   69=        0.0000000418
 Unscaled step for mode   70=        0.0000002106
 Unscaled step for mode   71=        0.0000000449
 Unscaled step for mode   72=       -0.0000004893
 Unscaled step for mode   73=        0.0000002455
 Unscaled step for mode   74=       -0.0000002959
 Unscaled step for mode   75=        0.0000006521
 Unscaled step for mode   76=        0.0000001997
 Unscaled step for mode   77=        0.0000006639
 Unscaled step for mode   78=       -0.0000000040
 Unscaled step for mode   79=        0.0000001389
 Unscaled step for mode   80=        0.0000002442
 Unscaled step for mode   81=        0.0000002513
 Unscaled step for mode   82=        0.0000000248
 Unscaled step for mode   83=       -0.0000001941
 Unscaled step for mode   84=        0.0000004892
 Unscaled step for mode   85=        0.0000005989
 Unscaled step for mode   86=       -0.0000000457
 Unscaled step for mode   87=       -0.0000006217
 Unscaled step for mode   88=       -0.0000000481
 Unscaled step for mode   89=        0.0000008609
 Unscaled step for mode   90=        0.0000004889
 Unscaled step for mode   91=        0.0000000341
 Unscaled step for mode   92=        0.0000010690
 Unscaled step for mode   93=        0.0000006203
 Unscaled step for mode   94=        0.0000008322
 Unscaled step for mode   95=        0.0000005315
 Unscaled step for mode   96=        0.0000001938
 Unscaled step for mode   97=        0.0000009323
 Unscaled step for mode   98=        0.0000009518
 Unscaled step for mode   99=        0.0000031288
 Unscaled step for mode  100=       -0.0000029458
 Unscaled step for mode  101=        0.0000004236
 Unscaled step for mode  102=        0.0000033229
 Unscaled step for mode  103=       -0.0000002187
 Unscaled step for mode  104=        0.0000027074
 Unscaled step for mode  105=       -0.0000023093
 Unscaled step for mode  106=       -0.0000005080
 Unscaled step for mode  107=       -0.0000058087
 Unscaled step for mode  108=       -0.0000007434
 Unscaled step for mode  109=       -0.0000054492
 Unscaled step for mode  110=       -0.0003654113
 Unscaled step for mode  111=       -0.0004350479
 Unscaled step for mode  112=        0.0005119819
 Unscaled step for mode  113=        0.0025756795
 Unscaled step for mode  114=       -0.1364524797
 Largest modulus ratio of non-zero e/values=           167.8138890    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.845678E-17    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.742678E-16    0.100718E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.519910E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.181279E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.182839E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.800683E-16    0.973852E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.344769E-05    0.731724E+03  0.471174E-08 0.100000E-04    0.991141E+00
   8   -0.418526E-05    0.673334E+03  0.621573E-08 0.100000E-04    0.999843E+00
   9    0.119946E-06    0.626631E+03 -0.191415E-09 0.100000E-04    0.869406E+00
  10    0.189690E-05    0.604336E+03 -0.313881E-08 0.100000E-04    0.986124E+00
  11   -0.132358E-05    0.588531E+03  0.224895E-08 0.100000E-04    0.999746E+00
  12   -0.100800E-05    0.570300E+03  0.176749E-08 0.100000E-04    0.969654E+00
  13   -0.337788E-05    0.566726E+03  0.596034E-08 0.100000E-04    0.994206E+00
  14   -0.267289E-05    0.482253E+03  0.554251E-08 0.100000E-04    0.990405E+00
  15    0.178345E-05    0.465672E+03 -0.382983E-08 0.100000E-04    0.987982E+00
  16    0.538351E-05    0.461491E+03 -0.116655E-07 0.100000E-04    0.993930E+00
  17    0.414085E-05    0.441360E+03 -0.938202E-08 0.100000E-04    0.994001E+00
  18    0.493110E-05    0.429883E+03 -0.114708E-07 0.100000E-04    0.997179E+00
  19   -0.150638E-04    0.421712E+03  0.357205E-07 0.100000E-04    0.996539E+00
  20    0.812101E-05    0.407745E+03 -0.199169E-07 0.100000E-04    0.998805E+00
  21    0.728733E-05    0.397528E+03 -0.183316E-07 0.100000E-04    0.999585E+00
  22   -0.611332E-05    0.388847E+03  0.157216E-07 0.100000E-04    0.990294E+00
  23    0.113732E-06    0.367717E+03 -0.309291E-09 0.100000E-04    0.959417E+00
  24   -0.887331E-06    0.361986E+03  0.245129E-08 0.100000E-04    0.951855E+00
  25   -0.184944E-04    0.351038E+03  0.526850E-07 0.100000E-04    0.997733E+00
  26   -0.306679E-04    0.336749E+03  0.910705E-07 0.100000E-04    0.996998E+00
  27   -0.154453E-04    0.325609E+03  0.474353E-07 0.100000E-04    0.998263E+00
  28    0.110584E-04    0.321495E+03 -0.343968E-07 0.100000E-04    0.989478E+00
  29    0.591347E-05    0.320075E+03 -0.184753E-07 0.100000E-04    0.977701E+00
  30   -0.241623E-04    0.313347E+03  0.771104E-07 0.100000E-04    0.999821E+00
  31   -0.121662E-04    0.304253E+03  0.399870E-07 0.100000E-04    0.995678E+00
  32   -0.529482E-05    0.288351E+03  0.183624E-07 0.100000E-04    0.989804E+00
  33    0.107376E-04    0.278926E+03 -0.384962E-07 0.100000E-04    0.993299E+00
  34    0.861834E-05    0.270714E+03 -0.318356E-07 0.100000E-04    0.990474E+00
  35    0.234190E-04    0.266642E+03 -0.878295E-07 0.100000E-04    0.999867E+00
  36    0.151315E-04    0.264014E+03 -0.573131E-07 0.100000E-04    0.994195E+00
  37   -0.163047E-04    0.259224E+03  0.628983E-07 0.100000E-04    0.996292E+00
  38   -0.210110E-05    0.253862E+03  0.827657E-08 0.100000E-04    0.979163E+00
  39   -0.181676E-04    0.242383E+03  0.749543E-07 0.100000E-04    0.997279E+00
  40   -0.475422E-05    0.237960E+03  0.199791E-07 0.100000E-04    0.946305E+00
  41   -0.346202E-04    0.235394E+03  0.147073E-06 0.100000E-04    0.995863E+00
  42   -0.100282E-04    0.228602E+03  0.438677E-07 0.100000E-04    0.994073E+00
  43    0.117066E-04    0.220741E+03 -0.530333E-07 0.100000E-04    0.995622E+00
  44   -0.211449E-04    0.213551E+03  0.990155E-07 0.100000E-04    0.995285E+00
  45    0.102821E-05    0.212141E+03 -0.484682E-08 0.100000E-04    0.950921E+00
  46    0.209420E-04    0.207542E+03 -0.100905E-06 0.100000E-04    0.995475E+00
  47   -0.292309E-04    0.203502E+03  0.143639E-06 0.100000E-04    0.999442E+00
  48    0.385286E-05    0.197680E+03 -0.194904E-07 0.100000E-04    0.992660E+00
  49   -0.221923E-04    0.195360E+03  0.113597E-06 0.100000E-04    0.998142E+00
  50   -0.939998E-05    0.191560E+03  0.490708E-07 0.100000E-04    0.990547E+00
  51   -0.145187E-04    0.184559E+03  0.786666E-07 0.100000E-04    0.999359E+00
  52   -0.238795E-05    0.175402E+03  0.136142E-07 0.100000E-04    0.994391E+00
  53   -0.117078E-04    0.171685E+03  0.681933E-07 0.100000E-04    0.997362E+00
  54    0.147935E-04    0.167555E+03 -0.882902E-07 0.100000E-04    0.996679E+00
  55   -0.195683E-04    0.165213E+03  0.118443E-06 0.100000E-04    0.998929E+00
  56    0.594284E-05    0.159284E+03 -0.373097E-07 0.100000E-04    0.991616E+00
  57    0.841223E-05    0.153826E+03 -0.546868E-07 0.100000E-04    0.994743E+00
  58   -0.222722E-04    0.151190E+03  0.147312E-06 0.100000E-04    0.997219E+00
  59   -0.637856E-06    0.148863E+03  0.428486E-08 0.100000E-04    0.858203E+00
  60   -0.205702E-04    0.143203E+03  0.143643E-06 0.100000E-04    0.999318E+00
  61    0.234246E-04    0.137049E+03 -0.170921E-06 0.100000E-04    0.992258E+00
  62    0.308199E-04    0.135722E+03 -0.227082E-06 0.100000E-04    0.999506E+00
  63   -0.228148E-04    0.130715E+03  0.174538E-06 0.100000E-04    0.996324E+00
  64   -0.214988E-04    0.127932E+03  0.168049E-06 0.100000E-04    0.993970E+00
  65    0.114643E-04    0.126065E+03 -0.909401E-07 0.100000E-04    0.976890E+00
  66   -0.245010E-04    0.125589E+03  0.195089E-06 0.100000E-04    0.999053E+00
  67    0.559920E-05    0.119688E+03 -0.467816E-07 0.100000E-04    0.996358E+00
  68   -0.882459E-05    0.118043E+03  0.747572E-07 0.100000E-04    0.997848E+00
  69   -0.488701E-05    0.116973E+03  0.417790E-07 0.100000E-04    0.988863E+00
  70   -0.234158E-04    0.111198E+03  0.210577E-06 0.100000E-04    0.998881E+00
  71   -0.485723E-05    0.108137E+03  0.449173E-07 0.100000E-04    0.992844E+00
  72    0.512971E-04    0.104845E+03 -0.489266E-06 0.100000E-04    0.993964E+00
  73   -0.252986E-04    0.103065E+03  0.245462E-06 0.100000E-04    0.997180E+00
  74    0.295340E-04    0.998213E+02 -0.295868E-06 0.100000E-04    0.998388E+00
  75   -0.626614E-04    0.960895E+02  0.652115E-06 0.100000E-04    0.994242E+00
  76   -0.189730E-04    0.950037E+02  0.199707E-06 0.100000E-04    0.979341E+00
  77   -0.614541E-04    0.925713E+02  0.663857E-06 0.100000E-04    0.998342E+00
  78    0.365729E-06    0.904075E+02 -0.404534E-08 0.100000E-04    0.904493E+00
  79   -0.124779E-04    0.898097E+02  0.138937E-06 0.100000E-04    0.997767E+00
  80   -0.207311E-04    0.849078E+02  0.244160E-06 0.100000E-04    0.999710E+00
  81   -0.203328E-04    0.809170E+02  0.251280E-06 0.100000E-04    0.996400E+00
  82   -0.197664E-05    0.797418E+02  0.247880E-07 0.100000E-04    0.961739E+00
  83    0.152066E-04    0.783288E+02 -0.194138E-06 0.100000E-04    0.995007E+00
  84   -0.355879E-04    0.727482E+02  0.489193E-06 0.100000E-04    0.993575E+00
  85   -0.431691E-04    0.720820E+02  0.598889E-06 0.100000E-04    0.996382E+00
  86    0.311919E-05    0.682926E+02 -0.456740E-07 0.100000E-04    0.934122E+00
  87    0.416077E-04    0.669243E+02 -0.621713E-06 0.100000E-04    0.999175E+00
  88    0.304714E-05    0.632858E+02 -0.481488E-07 0.100000E-04    0.972545E+00
  89   -0.520029E-04    0.604061E+02  0.860888E-06 0.100000E-04    0.999078E+00
  90   -0.291892E-04    0.597087E+02  0.488860E-06 0.100000E-04    0.988060E+00
  91   -0.201592E-05    0.590483E+02  0.341401E-07 0.100000E-04    0.943149E+00
  92   -0.598850E-04    0.560182E+02  0.106903E-05 0.100000E-04    0.999395E+00
  93   -0.328059E-04    0.528861E+02  0.620313E-06 0.100000E-04    0.999269E+00
  94   -0.434939E-04    0.522641E+02  0.832194E-06 0.100000E-04    0.994414E+00
  95   -0.266333E-04    0.501124E+02  0.531471E-06 0.100000E-04    0.998128E+00
  96   -0.923606E-05    0.476586E+02  0.193796E-06 0.100000E-04    0.987282E+00
  97   -0.400151E-04    0.429199E+02  0.932321E-06 0.100000E-04    0.994546E+00
  98   -0.383755E-04    0.403173E+02  0.951836E-06 0.100000E-04    0.994883E+00
  99   -0.116695E-03    0.372972E+02  0.312879E-05 0.100000E-04    0.995728E+00
 100    0.106238E-03    0.360640E+02 -0.294581E-05 0.100000E-04    0.996935E+00
 101   -0.148063E-04    0.349518E+02  0.423619E-06 0.100000E-04    0.972340E+00
 102   -0.957927E-04    0.288282E+02  0.332289E-05 0.100000E-04    0.996426E+00
 103    0.627294E-05    0.286863E+02 -0.218674E-06 0.100000E-04    0.921925E+00
 104   -0.750659E-04    0.277266E+02  0.270736E-05 0.100000E-04    0.988380E+00
 105    0.529829E-04    0.229430E+02 -0.230933E-05 0.100000E-04    0.999295E+00
 106    0.109506E-04    0.215545E+02 -0.508044E-06 0.100000E-04    0.912868E+00
 107    0.117722E-03    0.202664E+02 -0.580873E-05 0.100000E-04    0.994051E+00
 108    0.125054E-04    0.168230E+02 -0.743350E-06 0.100000E-04    0.954883E+00
 109    0.750903E-04    0.137801E+02 -0.544920E-05 0.100000E-04    0.997626E+00
 110    0.447932E-02    0.122583E+02 -0.100000E-04 0.100000E-04    0.492259E+00
 111    0.428800E-02    0.985637E+01 -0.100000E-04 0.100000E-04    0.763226E+00
 112   -0.468385E-02    0.914847E+01  0.100000E-04 0.100000E-04    0.341866E+00
 113   -0.188005E-01    0.729918E+01  0.140628E-04 0.140628E-04    0.573733E-01
 114   -0.606266E+00    0.436033E+01 -0.400000E-03 0.400000E-03    0.462301E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1364524797    

 Beginning of optimization cycle  303.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3632581001
 potential> RMS force:                                               0.0569766502   |gradient|=.6083441529    
 Eigenvalues of the Hessian matrix:
   731.78615    673.34330    626.64293    604.33064    588.52126    570.34297 
   566.73449    482.27716    465.64868    461.48338    441.36110    429.87505 
   421.71714    407.75357    397.52270    388.84720    367.72350    361.97679 
   351.03033    336.72642    325.61993    321.49364    320.08313    313.32070 
   304.24229    288.35914    278.92056    270.71458    266.65041    264.02265 
   259.23640    253.86386    242.37841    237.96908    235.38351    228.59926 
   220.72062    213.55900    212.14646    207.53417    203.50453    197.67422 
   195.35663    191.55851    184.54922    175.39013    171.69111    167.55465 
   165.20675    159.27432    153.83033    151.19496    148.85588    143.20559 
   137.05131    135.72540    130.71305    127.93645    126.06564    125.58956 
   119.69007    118.04428    116.97486    111.19214    108.12771    104.84201 
   103.06622     99.81954     96.08180     94.99936     92.58400     90.40964 
    89.80781     84.91057     80.91696     79.74436     78.32744     72.74925 
    72.08656     68.29232     66.91174     63.28352     60.39658     59.70958 
    59.04934     56.01906     52.88229     52.26494     50.11103     47.65495 
    42.91821     40.31982     37.30140     36.06795     34.94034     28.82764 
    28.68522     27.71837     22.94422     21.54881     20.27119     16.82278 
    13.78037     12.25786      9.85745      9.14019      7.29418      4.35589 
overlap for current and previous eigenvector    109 is         0.9999995803
overlap for current and previous eigenvector    110 is        -0.9999994533
overlap for current and previous eigenvector    111 is         0.9999921287
overlap for current and previous eigenvector    112 is         0.9999864300
overlap for current and previous eigenvector    113 is         0.9999941492
overlap for current and previous eigenvector    114 is         0.9999997082
J1,K1,R1,R2,RAT=   7   7   -0.7358981752E-02     2.007189346        0.9926410182    
FOB,PFOB,DIAG,PSTEP=   -0.3473064843E-05   -0.3447691195E-05     731.7861539        0.4711736656E-08
J1,K1,R1,R2,RAT=   8   8   -0.8565617878E-02     2.008537373        0.9914343821    
FOB,PFOB,DIAG,PSTEP=   -0.4221113817E-05   -0.4185263940E-05     673.3432991        0.6215734312E-08
J1,K1,R1,R2,RAT=   9   9   -0.1583454578E-01     2.015795107        0.9841654542    
FOB,PFOB,DIAG,PSTEP=    0.1218455469E-06    0.1199462156E-06     626.6429261       -0.1914145616E-09
J1,K1,R1,R2,RAT=  10  10    0.7233441337E-02     1.992784694        0.9927665587    
FOB,PFOB,DIAG,PSTEP=    0.1883174938E-05    0.1896895899E-05     604.3306407       -0.3138809405E-08
J1,K1,R1,R2,RAT=  11  11   -0.8146343295E-02     2.008178975        0.9918536567    
FOB,PFOB,DIAG,PSTEP=   -0.1334358163E-05   -0.1323576034E-05     588.5212616        0.2248949232E-08
J1,K1,R1,R2,RAT= 109 109    0.5225756387E-02     1.994729982        0.9947299819    
FOB,PFOB,DIAG,PSTEP=    0.7469783932E-04    0.7509025136E-04     13.78036559       -0.5449196012E-05
J1,K1,R1,R2,RAT= 110 110     73.58998084       -0.5050927113        0.4949072887    
FOB,PFOB,DIAG,PSTEP=   -0.4541234075E-02    0.4479320533E-02     12.25785699       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2450537928         86.75508159        0.7549462072    
FOB,PFOB,DIAG,PSTEP=    0.4263839833E-02    0.4287995879E-02     9.857446452       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8021241404         103.2913342        0.1978758596    
FOB,PFOB,DIAG,PSTEP=   -0.4757167526E-02   -0.4683851893E-02     9.140185375        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7851217263         367.3507405        0.2148782737    
FOB,PFOB,DIAG,PSTEP=   -0.1888100013E-01   -0.1880046528E-01     7.294181976        0.1406275045E-04
J1,K1,R1,R2,RAT= 114 114    0.9953584469        -696.9109343        0.4641553084E-02
FOB,PFOB,DIAG,PSTEP=   -0.6080004714       -0.6062662030         4.355889019       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00000     -0.00003     -0.00001 
     0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002      0.00001     -0.00001      0.00002     -0.00000     -0.00002 
     0.00002      0.00003     -0.00002     -0.00002      0.00001     -0.00002 
     0.00001     -0.00001     -0.00000      0.00002     -0.00000     -0.00005 
    -0.00003      0.00003     -0.00006     -0.00002     -0.00006      0.00000 
    -0.00001     -0.00002     -0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004      0.00000     -0.00004     -0.00000     -0.00005     -0.00003 
    -0.00000     -0.00006     -0.00003     -0.00004      0.00003     -0.00001 
    -0.00004     -0.00004     -0.00012      0.00011     -0.00001     -0.00010 
     0.00001     -0.00007     -0.00005      0.00001      0.00012      0.00001 
     0.00007     -0.00454      0.00426     -0.00476     -0.01888     -0.60800 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4295607717
 Log product of positive Hessian eigenvalues =          519.9143248515
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3558890190
 Unscaled step for mode    7=        0.0000000047
 Unscaled step for mode    8=        0.0000000063
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000055
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000117
 Unscaled step for mode   17=       -0.0000000094
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000358
 Unscaled step for mode   20=       -0.0000000199
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000158
 Unscaled step for mode   23=       -0.0000000003
 Unscaled step for mode   24=        0.0000000025
 Unscaled step for mode   25=        0.0000000529
 Unscaled step for mode   26=        0.0000000913
 Unscaled step for mode   27=        0.0000000476
 Unscaled step for mode   28=       -0.0000000347
 Unscaled step for mode   29=       -0.0000000187
 Unscaled step for mode   30=        0.0000000773
 Unscaled step for mode   31=        0.0000000403
 Unscaled step for mode   32=        0.0000000184
 Unscaled step for mode   33=       -0.0000000385
 Unscaled step for mode   34=       -0.0000000320
 Unscaled step for mode   35=       -0.0000000879
 Unscaled step for mode   36=       -0.0000000576
 Unscaled step for mode   37=        0.0000000631
 Unscaled step for mode   38=        0.0000000082
 Unscaled step for mode   39=        0.0000000751
 Unscaled step for mode   40=        0.0000000208
 Unscaled step for mode   41=        0.0000001476
 Unscaled step for mode   42=        0.0000000441
 Unscaled step for mode   43=       -0.0000000535
 Unscaled step for mode   44=        0.0000000996
 Unscaled step for mode   45=       -0.0000000046
 Unscaled step for mode   46=       -0.0000001014
 Unscaled step for mode   47=        0.0000001438
 Unscaled step for mode   48=       -0.0000000197
 Unscaled step for mode   49=        0.0000001142
 Unscaled step for mode   50=       -0.0000000488
 Unscaled step for mode   51=        0.0000000791
 Unscaled step for mode   52=        0.0000000138
 Unscaled step for mode   53=        0.0000000685
 Unscaled step for mode   54=        0.0000000890
 Unscaled step for mode   55=       -0.0000001186
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=        0.0000000552
 Unscaled step for mode   58=       -0.0000001477
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=        0.0000001443
 Unscaled step for mode   61=       -0.0000001716
 Unscaled step for mode   62=       -0.0000002267
 Unscaled step for mode   63=        0.0000001743
 Unscaled step for mode   64=        0.0000001693
 Unscaled step for mode   65=       -0.0000000928
 Unscaled step for mode   66=        0.0000001941
 Unscaled step for mode   67=       -0.0000000473
 Unscaled step for mode   68=        0.0000000749
 Unscaled step for mode   69=        0.0000000419
 Unscaled step for mode   70=       -0.0000002117
 Unscaled step for mode   71=        0.0000000451
 Unscaled step for mode   72=        0.0000004905
 Unscaled step for mode   73=        0.0000002464
 Unscaled step for mode   74=       -0.0000002952
 Unscaled step for mode   75=        0.0000006562
 Unscaled step for mode   76=        0.0000001961
 Unscaled step for mode   77=        0.0000006636
 Unscaled step for mode   78=       -0.0000000025
 Unscaled step for mode   79=        0.0000001367
 Unscaled step for mode   80=        0.0000002452
 Unscaled step for mode   81=        0.0000002517
 Unscaled step for mode   82=        0.0000000225
 Unscaled step for mode   83=        0.0000001957
 Unscaled step for mode   84=        0.0000004903
 Unscaled step for mode   85=        0.0000005984
 Unscaled step for mode   86=       -0.0000000418
 Unscaled step for mode   87=        0.0000006235
 Unscaled step for mode   88=        0.0000000487
 Unscaled step for mode   89=        0.0000008625
 Unscaled step for mode   90=        0.0000004906
 Unscaled step for mode   91=        0.0000000355
 Unscaled step for mode   92=        0.0000010720
 Unscaled step for mode   93=        0.0000006162
 Unscaled step for mode   94=        0.0000008330
 Unscaled step for mode   95=       -0.0000005265
 Unscaled step for mode   96=        0.0000001935
 Unscaled step for mode   97=        0.0000009322
 Unscaled step for mode   98=        0.0000009556
 Unscaled step for mode   99=        0.0000031310
 Unscaled step for mode  100=       -0.0000029417
 Unscaled step for mode  101=        0.0000004267
 Unscaled step for mode  102=        0.0000033230
 Unscaled step for mode  103=       -0.0000002355
 Unscaled step for mode  104=        0.0000027051
 Unscaled step for mode  105=        0.0000023229
 Unscaled step for mode  106=       -0.0000004872
 Unscaled step for mode  107=       -0.0000058212
 Unscaled step for mode  108=       -0.0000007239
 Unscaled step for mode  109=       -0.0000054206
 Unscaled step for mode  110=        0.0003704753
 Unscaled step for mode  111=       -0.0004325501
 Unscaled step for mode  112=        0.0005204672
 Unscaled step for mode  113=        0.0025884840
 Unscaled step for mode  114=       -0.1369628775
 Largest modulus ratio of non-zero e/values=           167.9992651    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.513912E-15    0.101896E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.100820E-14    0.100718E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.421448E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.232887E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.482605E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.142735E-15    0.973853E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.347306E-05    0.731786E+03  0.474601E-08 0.100000E-04    0.992641E+00
   8   -0.422111E-05    0.673343E+03  0.626889E-08 0.100000E-04    0.991434E+00
   9    0.121846E-06    0.626643E+03 -0.194442E-09 0.100000E-04    0.984165E+00
  10    0.188317E-05    0.604331E+03 -0.311613E-08 0.100000E-04    0.992767E+00
  11   -0.133436E-05    0.588521E+03  0.226731E-08 0.100000E-04    0.991854E+00
  12   -0.104833E-05    0.570343E+03  0.183806E-08 0.100000E-04    0.959995E+00
  13   -0.340751E-05    0.566734E+03  0.601253E-08 0.100000E-04    0.991229E+00
  14   -0.263052E-05    0.482277E+03  0.545437E-08 0.100000E-04    0.984046E+00
  15    0.180572E-05    0.465649E+03 -0.387786E-08 0.100000E-04    0.987509E+00
  16    0.539895E-05    0.461483E+03 -0.116991E-07 0.100000E-04    0.997133E+00
  17    0.414564E-05    0.441361E+03 -0.939284E-08 0.100000E-04    0.998844E+00
  18    0.495525E-05    0.429875E+03 -0.115272E-07 0.100000E-04    0.995102E+00
  19   -0.150990E-04    0.421717E+03  0.358036E-07 0.100000E-04    0.997661E+00
  20    0.810255E-05    0.407754E+03 -0.198712E-07 0.100000E-04    0.997685E+00
  21    0.728245E-05    0.397523E+03 -0.183196E-07 0.100000E-04    0.999330E+00
  22   -0.613374E-05    0.388847E+03  0.157742E-07 0.100000E-04    0.996660E+00
  23    0.127060E-06    0.367723E+03 -0.345530E-09 0.100000E-04    0.882813E+00
  24   -0.901071E-06    0.361977E+03  0.248931E-08 0.100000E-04    0.984515E+00
  25   -0.185554E-04    0.351030E+03  0.528599E-07 0.100000E-04    0.996701E+00
  26   -0.307289E-04    0.336726E+03  0.912579E-07 0.100000E-04    0.998011E+00
  27   -0.154963E-04    0.325620E+03  0.475903E-07 0.100000E-04    0.996699E+00
  28    0.111632E-04    0.321494E+03 -0.347230E-07 0.100000E-04    0.990522E+00
  29    0.599451E-05    0.320083E+03 -0.187280E-07 0.100000E-04    0.986296E+00
  30   -0.242084E-04    0.313321E+03  0.772641E-07 0.100000E-04    0.998090E+00
  31   -0.122663E-04    0.304242E+03  0.403175E-07 0.100000E-04    0.991770E+00
  32   -0.530335E-05    0.288359E+03  0.183915E-07 0.100000E-04    0.998388E+00
  33    0.107452E-04    0.278921E+03 -0.385241E-07 0.100000E-04    0.999294E+00
  34    0.865618E-05    0.270715E+03 -0.319753E-07 0.100000E-04    0.995609E+00
  35    0.234504E-04    0.266650E+03 -0.879445E-07 0.100000E-04    0.998658E+00
  36    0.152014E-04    0.264023E+03 -0.575761E-07 0.100000E-04    0.995380E+00
  37   -0.163670E-04    0.259236E+03  0.631356E-07 0.100000E-04    0.996179E+00
  38   -0.207504E-05    0.253864E+03  0.817383E-08 0.100000E-04    0.987578E+00
  39   -0.181964E-04    0.242378E+03  0.750745E-07 0.100000E-04    0.998416E+00
  40   -0.494992E-05    0.237969E+03  0.208007E-07 0.100000E-04    0.958839E+00
  41   -0.347455E-04    0.235384E+03  0.147612E-06 0.100000E-04    0.996382E+00
  42   -0.100734E-04    0.228599E+03  0.440657E-07 0.100000E-04    0.995498E+00
  43    0.118031E-04    0.220721E+03 -0.534754E-07 0.100000E-04    0.991756E+00
  44   -0.212736E-04    0.213559E+03  0.996148E-07 0.100000E-04    0.993911E+00
  45    0.965466E-06    0.212146E+03 -0.455094E-08 0.100000E-04    0.938928E+00
  46    0.210528E-04    0.207534E+03 -0.101443E-06 0.100000E-04    0.994706E+00
  47   -0.292706E-04    0.203505E+03  0.143833E-06 0.100000E-04    0.998639E+00
  48    0.389156E-05    0.197674E+03 -0.196867E-07 0.100000E-04    0.989956E+00
  49   -0.223031E-04    0.195357E+03  0.114166E-06 0.100000E-04    0.995006E+00
  50    0.934632E-05    0.191559E+03 -0.487909E-07 0.100000E-04    0.994292E+00
  51   -0.146044E-04    0.184549E+03  0.791358E-07 0.100000E-04    0.994091E+00
  52   -0.242887E-05    0.175390E+03  0.138484E-07 0.100000E-04    0.982864E+00
  53   -0.117558E-04    0.171691E+03  0.684707E-07 0.100000E-04    0.995897E+00
  54   -0.149076E-04    0.167555E+03  0.889715E-07 0.100000E-04    0.992288E+00
  55    0.195892E-04    0.165207E+03 -0.118574E-06 0.100000E-04    0.998933E+00
  56    0.589201E-05    0.159274E+03 -0.369929E-07 0.100000E-04    0.991447E+00
  57   -0.848409E-05    0.153830E+03  0.551523E-07 0.100000E-04    0.991458E+00
  58    0.223277E-04    0.151195E+03 -0.147675E-06 0.100000E-04    0.997507E+00
  59   -0.614599E-06    0.148856E+03  0.412882E-08 0.100000E-04    0.963537E+00
  60   -0.206665E-04    0.143206E+03  0.144314E-06 0.100000E-04    0.995318E+00
  61    0.235189E-04    0.137051E+03 -0.171606E-06 0.100000E-04    0.995975E+00
  62    0.307732E-04    0.135725E+03 -0.226731E-06 0.100000E-04    0.998426E+00
  63   -0.227801E-04    0.130713E+03  0.174275E-06 0.100000E-04    0.998480E+00
  64   -0.216619E-04    0.127936E+03  0.169318E-06 0.100000E-04    0.992416E+00
  65    0.117024E-04    0.126066E+03 -0.928275E-07 0.100000E-04    0.979239E+00
  66   -0.243772E-04    0.125590E+03  0.194102E-06 0.100000E-04    0.994939E+00
  67    0.565547E-05    0.119690E+03 -0.472509E-07 0.100000E-04    0.989952E+00
  68   -0.883904E-05    0.118044E+03  0.748790E-07 0.100000E-04    0.998363E+00
  69   -0.489611E-05    0.116975E+03  0.418561E-07 0.100000E-04    0.998139E+00
  70    0.235408E-04    0.111192E+03 -0.211713E-06 0.100000E-04    0.994660E+00
  71   -0.487347E-05    0.108128E+03  0.450714E-07 0.100000E-04    0.996656E+00
  72   -0.514296E-04    0.104842E+03  0.490543E-06 0.100000E-04    0.997418E+00
  73   -0.253978E-04    0.103066E+03  0.246422E-06 0.100000E-04    0.996079E+00
  74    0.294627E-04    0.998195E+02 -0.295160E-06 0.100000E-04    0.997588E+00
  75   -0.630498E-04    0.960818E+02  0.656210E-06 0.100000E-04    0.993800E+00
  76   -0.186318E-04    0.949994E+02  0.196126E-06 0.100000E-04    0.982020E+00
  77   -0.614377E-04    0.925840E+02  0.663589E-06 0.100000E-04    0.999458E+00
  78    0.225627E-06    0.904096E+02 -0.249561E-08 0.100000E-04    0.616886E+00
  79   -0.122752E-04    0.898078E+02  0.136683E-06 0.100000E-04    0.983753E+00
  80   -0.208191E-04    0.849106E+02  0.245188E-06 0.100000E-04    0.995758E+00
  81   -0.203651E-04    0.809170E+02  0.251679E-06 0.100000E-04    0.998410E+00
  82   -0.179316E-05    0.797444E+02  0.224863E-07 0.100000E-04    0.907113E+00
  83   -0.153281E-04    0.783274E+02  0.195693E-06 0.100000E-04    0.992011E+00
  84   -0.356692E-04    0.727492E+02  0.490304E-06 0.100000E-04    0.997715E+00
  85   -0.431346E-04    0.720866E+02  0.598373E-06 0.100000E-04    0.999075E+00
  86    0.285704E-05    0.682923E+02 -0.418355E-07 0.100000E-04    0.915955E+00
  87   -0.417171E-04    0.669117E+02  0.623464E-06 0.100000E-04    0.997371E+00
  88   -0.308077E-05    0.632835E+02  0.486820E-07 0.100000E-04    0.988962E+00
  89   -0.520911E-04    0.603966E+02  0.862484E-06 0.100000E-04    0.998304E+00
  90   -0.292925E-04    0.597096E+02  0.490583E-06 0.100000E-04    0.996460E+00
  91   -0.209689E-05    0.590493E+02  0.355108E-07 0.100000E-04    0.959835E+00
  92   -0.600538E-04    0.560191E+02  0.107202E-05 0.100000E-04    0.997182E+00
  93   -0.325867E-04    0.528823E+02  0.616213E-06 0.100000E-04    0.993318E+00
  94   -0.435350E-04    0.522649E+02  0.832967E-06 0.100000E-04    0.999056E+00
  95    0.263834E-04    0.501110E+02 -0.526498E-06 0.100000E-04    0.990616E+00
  96   -0.922061E-05    0.476549E+02  0.193487E-06 0.100000E-04    0.998328E+00
  97   -0.400076E-04    0.429182E+02  0.932182E-06 0.100000E-04    0.999813E+00
  98   -0.385291E-04    0.403198E+02  0.955587E-06 0.100000E-04    0.995997E+00
  99   -0.116792E-03    0.373014E+02  0.313103E-05 0.100000E-04    0.999170E+00
 100    0.106101E-03    0.360680E+02 -0.294171E-05 0.100000E-04    0.998500E+00
 101   -0.149074E-04    0.349403E+02  0.426652E-06 0.100000E-04    0.993170E+00
 102   -0.957943E-04    0.288276E+02  0.332300E-05 0.100000E-04    0.999983E+00
 103    0.675411E-05    0.286852E+02 -0.235456E-06 0.100000E-04    0.923292E+00
 104   -0.749803E-04    0.277184E+02  0.270508E-05 0.100000E-04    0.998860E+00
 105   -0.532964E-04    0.229442E+02  0.232287E-05 0.100000E-04    0.994083E+00
 106    0.104979E-04    0.215488E+02 -0.487169E-06 0.100000E-04    0.958648E+00
 107    0.118003E-03    0.202712E+02 -0.582122E-05 0.100000E-04    0.997611E+00
 108    0.121775E-04    0.168228E+02 -0.723872E-06 0.100000E-04    0.973784E+00
 109    0.746978E-04    0.137804E+02 -0.542060E-05 0.100000E-04    0.994730E+00
 110   -0.454123E-02    0.122579E+02  0.100000E-04 0.100000E-04    0.494907E+00
 111    0.426384E-02    0.985745E+01 -0.100000E-04 0.100000E-04    0.754946E+00
 112   -0.475717E-02    0.914019E+01  0.109000E-04 0.109000E-04    0.197876E+00
 113   -0.188810E-01    0.729418E+01  0.126691E-04 0.126691E-04    0.214878E+00
 114   -0.608000E+00    0.435589E+01 -0.400000E-03 0.400000E-03    0.464155E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1369628775    

 Beginning of optimization cycle  304.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3630149300
 potential> RMS force:                                               0.0571391572   |gradient|=.6100792530    
 Eigenvalues of the Hessian matrix:
   731.84824    673.35294    626.65533    604.32486    588.51178    570.38560 
   566.74245    482.30179    465.62538    461.47610    441.36202    429.86709 
   421.72188    407.76204    397.51767    388.84684    367.72995    361.96780 
   351.02286    336.70356    325.63098    321.49186    320.09113    313.29439 
   304.23192    288.36739    278.91522    270.71527    266.65911    264.03088 
   259.24886    253.86596    242.37389    237.97851    235.37262    228.59635 
   220.70007    213.56675    212.15201    207.52663    203.50670    197.66846 
   195.35369    191.55748    184.53899    175.37836    171.69710    167.55393 
   165.20081    159.26461    153.83505    151.19978    148.84916    143.20805 
   137.05316    135.72918    130.71140    127.94054    126.06654    125.59008 
   119.69196    118.04525    116.97670    111.18592    108.11840    104.83897 
   103.06721     99.81786     96.07422     94.99490     92.59673     90.41185 
    89.80582     84.91338     80.91692     79.74686     78.32614     72.75031 
    72.09117     68.29213     66.89918     63.28119     60.38712     59.71043 
    59.05036     56.01989     52.87855     52.26576     50.10968     47.65129 
    42.91658     40.32231     37.30565     36.07195     34.92888     28.82713 
    28.68414     27.71015     22.94544     21.54310     20.27605     16.82259 
    13.78068     12.25742      9.85853      9.13197      7.28915      4.35143 
overlap for current and previous eigenvector    109 is        -0.9999995866
overlap for current and previous eigenvector    110 is        -0.9999994573
overlap for current and previous eigenvector    111 is         0.9999926589
overlap for current and previous eigenvector    112 is         0.9999869601
overlap for current and previous eigenvector    113 is         0.9999941499
overlap for current and previous eigenvector    114 is         0.9999997088
J1,K1,R1,R2,RAT=   7   7   -0.8768468377E-02     2.008598813        0.9912315316    
FOB,PFOB,DIAG,PSTEP=   -0.3503520886E-05   -0.3473064843E-05     731.8482351        0.4746010600E-08
J1,K1,R1,R2,RAT=   8   8    0.7702170057E-04     1.999894352        0.9998943518    
FOB,PFOB,DIAG,PSTEP=   -0.4220788695E-05   -0.4221113817E-05     673.3529369        0.6268888134E-08
J1,K1,R1,R2,RAT=   9   9    0.1477672037         1.852193209        0.8521932088    
FOB,PFOB,DIAG,PSTEP=    0.1038404148E-06    0.1218455469E-06     626.6553300       -0.1944417496E-09
J1,K1,R1,R2,RAT=  10  10   -0.1378177976E-01     2.013800912        0.9862182202    
FOB,PFOB,DIAG,PSTEP=    0.1909128192E-05    0.1883174938E-05     604.3248598       -0.3116133473E-08
J1,K1,R1,R2,RAT=  11  11    0.2012387341E-03     1.999830996        0.9997987613    
FOB,PFOB,DIAG,PSTEP=   -0.1334089643E-05   -0.1334358163E-05     588.5117764        0.2267306638E-08
J1,K1,R1,R2,RAT= 109 109     2.002309617       -0.2354936704E-02    0.9976450633    
FOB,PFOB,DIAG,PSTEP=   -0.7487375199E-04    0.7469783932E-04     13.78067786       -0.5420599246E-05
J1,K1,R1,R2,RAT= 110 110     74.61160369       -0.5138886456        0.4861113544    
FOB,PFOB,DIAG,PSTEP=    0.4604223565E-02   -0.4541234075E-02     12.25742001        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2422650099         86.25822727        0.7577349901    
FOB,PFOB,DIAG,PSTEP=    0.4239956056E-02    0.4263839833E-02     9.858533103       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6505495983         96.23499795        0.3494504017    
FOB,PFOB,DIAG,PSTEP=   -0.4821922274E-02   -0.4757167526E-02     9.131974820        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9826074170         409.8954516        0.1739258301E-01
FOB,PFOB,DIAG,PSTEP=   -0.1897174128E-01   -0.1888100013E-01     7.289151002        0.1266914455E-04
J1,K1,R1,R2,RAT= 114 114    0.9953316142        -699.6166861        0.4668385825E-02
FOB,PFOB,DIAG,PSTEP=   -0.6097329180       -0.6080004714         4.351430624       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00003     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000      0.00002 
    -0.00002     -0.00003      0.00002      0.00002     -0.00001      0.00002 
     0.00001     -0.00001     -0.00000     -0.00002      0.00000      0.00005 
    -0.00003     -0.00003     -0.00006     -0.00002      0.00006      0.00000 
    -0.00001     -0.00002     -0.00002      0.00000      0.00002      0.00004 
    -0.00004      0.00000      0.00004      0.00000     -0.00005     -0.00003 
    -0.00000     -0.00006      0.00003      0.00004     -0.00003      0.00001 
     0.00004      0.00004     -0.00012     -0.00011      0.00002      0.00010 
    -0.00001      0.00008     -0.00005     -0.00001     -0.00012     -0.00001 
    -0.00007      0.00460      0.00424     -0.00482     -0.01897     -0.60973 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4294290764
 Log product of positive Hessian eigenvalues =          519.9108137355
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3514306245
 Unscaled step for mode    7=        0.0000000048
 Unscaled step for mode    8=        0.0000000063
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000054
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000118
 Unscaled step for mode   17=       -0.0000000094
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000359
 Unscaled step for mode   20=       -0.0000000198
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000159
 Unscaled step for mode   23=       -0.0000000004
 Unscaled step for mode   24=        0.0000000026
 Unscaled step for mode   25=        0.0000000530
 Unscaled step for mode   26=        0.0000000915
 Unscaled step for mode   27=        0.0000000477
 Unscaled step for mode   28=       -0.0000000351
 Unscaled step for mode   29=       -0.0000000191
 Unscaled step for mode   30=        0.0000000773
 Unscaled step for mode   31=        0.0000000405
 Unscaled step for mode   32=        0.0000000186
 Unscaled step for mode   33=       -0.0000000388
 Unscaled step for mode   34=       -0.0000000323
 Unscaled step for mode   35=       -0.0000000879
 Unscaled step for mode   36=       -0.0000000579
 Unscaled step for mode   37=        0.0000000634
 Unscaled step for mode   38=        0.0000000080
 Unscaled step for mode   39=        0.0000000753
 Unscaled step for mode   40=        0.0000000218
 Unscaled step for mode   41=        0.0000001482
 Unscaled step for mode   42=        0.0000000443
 Unscaled step for mode   43=        0.0000000537
 Unscaled step for mode   44=        0.0000001001
 Unscaled step for mode   45=       -0.0000000048
 Unscaled step for mode   46=       -0.0000001019
 Unscaled step for mode   47=        0.0000001439
 Unscaled step for mode   48=       -0.0000000198
 Unscaled step for mode   49=        0.0000001144
 Unscaled step for mode   50=        0.0000000492
 Unscaled step for mode   51=        0.0000000792
 Unscaled step for mode   52=        0.0000000139
 Unscaled step for mode   53=        0.0000000686
 Unscaled step for mode   54=       -0.0000000893
 Unscaled step for mode   55=        0.0000001187
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000554
 Unscaled step for mode   58=       -0.0000001481
 Unscaled step for mode   59=       -0.0000000034
 Unscaled step for mode   60=       -0.0000001444
 Unscaled step for mode   61=        0.0000001729
 Unscaled step for mode   62=        0.0000002268
 Unscaled step for mode   63=       -0.0000001749
 Unscaled step for mode   64=       -0.0000001703
 Unscaled step for mode   65=        0.0000000949
 Unscaled step for mode   66=       -0.0000001939
 Unscaled step for mode   67=       -0.0000000474
 Unscaled step for mode   68=        0.0000000750
 Unscaled step for mode   69=        0.0000000423
 Unscaled step for mode   70=        0.0000002120
 Unscaled step for mode   71=       -0.0000000454
 Unscaled step for mode   72=       -0.0000004935
 Unscaled step for mode   73=        0.0000002471
 Unscaled step for mode   74=        0.0000002956
 Unscaled step for mode   75=        0.0000006600
 Unscaled step for mode   76=        0.0000001917
 Unscaled step for mode   77=       -0.0000006625
 Unscaled step for mode   78=       -0.0000000028
 Unscaled step for mode   79=        0.0000001364
 Unscaled step for mode   80=        0.0000002451
 Unscaled step for mode   81=        0.0000002526
 Unscaled step for mode   82=       -0.0000000215
 Unscaled step for mode   83=       -0.0000001947
 Unscaled step for mode   84=       -0.0000004934
 Unscaled step for mode   85=        0.0000006004
 Unscaled step for mode   86=       -0.0000000386
 Unscaled step for mode   87=       -0.0000006241
 Unscaled step for mode   88=       -0.0000000500
 Unscaled step for mode   89=        0.0000008633
 Unscaled step for mode   90=        0.0000004965
 Unscaled step for mode   91=        0.0000000374
 Unscaled step for mode   92=        0.0000010714
 Unscaled step for mode   93=       -0.0000006157
 Unscaled step for mode   94=       -0.0000008376
 Unscaled step for mode   95=        0.0000005275
 Unscaled step for mode   96=       -0.0000001910
 Unscaled step for mode   97=       -0.0000009373
 Unscaled step for mode   98=       -0.0000009604
 Unscaled step for mode   99=        0.0000031437
 Unscaled step for mode  100=        0.0000029330
 Unscaled step for mode  101=       -0.0000004381
 Unscaled step for mode  102=       -0.0000033347
 Unscaled step for mode  103=        0.0000002512
 Unscaled step for mode  104=       -0.0000027370
 Unscaled step for mode  105=        0.0000023244
 Unscaled step for mode  106=        0.0000005281
 Unscaled step for mode  107=        0.0000057875
 Unscaled step for mode  108=        0.0000006890
 Unscaled step for mode  109=        0.0000054332
 Unscaled step for mode  110=       -0.0003756274
 Unscaled step for mode  111=       -0.0004300797
 Unscaled step for mode  112=        0.0005280261
 Unscaled step for mode  113=        0.0026027191
 Unscaled step for mode  114=       -0.1374742081
 Largest modulus ratio of non-zero e/values=           168.1856608    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.682614E-15    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.575278E-15    0.100718E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.922873E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.260682E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.232019E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.934826E-15    0.973855E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.350352E-05    0.731848E+03  0.478722E-08 0.100000E-04    0.991232E+00
   8   -0.422079E-05    0.673353E+03  0.626832E-08 0.100000E-04    0.999894E+00
   9    0.103840E-06    0.626655E+03 -0.165706E-09 0.100000E-04    0.852193E+00
  10    0.190913E-05    0.604325E+03 -0.315911E-08 0.100000E-04    0.986218E+00
  11   -0.133409E-05    0.588512E+03  0.226689E-08 0.100000E-04    0.999799E+00
  12   -0.107813E-05    0.570386E+03  0.189017E-08 0.100000E-04    0.971576E+00
  13   -0.338800E-05    0.566742E+03  0.597802E-08 0.100000E-04    0.994246E+00
  14   -0.260444E-05    0.482302E+03  0.540003E-08 0.100000E-04    0.989987E+00
  15    0.178426E-05    0.465625E+03 -0.383196E-08 0.100000E-04    0.988114E+00
  16    0.543131E-05    0.461476E+03 -0.117694E-07 0.100000E-04    0.994005E+00
  17    0.417007E-05    0.441362E+03 -0.944818E-08 0.100000E-04    0.994106E+00
  18    0.494136E-05    0.429867E+03 -0.114951E-07 0.100000E-04    0.997196E+00
  19   -0.151508E-04    0.421722E+03  0.359261E-07 0.100000E-04    0.996568E+00
  20    0.809268E-05    0.407762E+03 -0.198466E-07 0.100000E-04    0.998740E+00
  21    0.728499E-05    0.397518E+03 -0.183262E-07 0.100000E-04    0.999652E+00
  22   -0.619248E-05    0.388847E+03  0.159252E-07 0.100000E-04    0.990424E+00
  23    0.131391E-06    0.367730E+03 -0.357303E-09 0.100000E-04    0.965913E+00
  24   -0.942011E-06    0.361968E+03  0.260247E-08 0.100000E-04    0.954564E+00
  25   -0.185971E-04    0.351023E+03  0.529798E-07 0.100000E-04    0.997755E+00
  26   -0.308198E-04    0.336704E+03  0.915341E-07 0.100000E-04    0.997042E+00
  27   -0.155226E-04    0.325631E+03  0.476693E-07 0.100000E-04    0.998307E+00
  28    0.112769E-04    0.321492E+03 -0.350769E-07 0.100000E-04    0.989814E+00
  29    0.612712E-05    0.320091E+03 -0.191418E-07 0.100000E-04    0.977880E+00
  30   -0.242117E-04    0.313294E+03  0.772811E-07 0.100000E-04    0.999864E+00
  31   -0.123192E-04    0.304232E+03  0.404927E-07 0.100000E-04    0.995688E+00
  32   -0.535676E-05    0.288367E+03  0.185762E-07 0.100000E-04    0.989930E+00
  33    0.108166E-04    0.278915E+03 -0.387809E-07 0.100000E-04    0.993355E+00
  34    0.873797E-05    0.270715E+03 -0.322773E-07 0.100000E-04    0.990552E+00
  35    0.234483E-04    0.266659E+03 -0.879337E-07 0.100000E-04    0.999844E+00
  36    0.152881E-04    0.264031E+03 -0.579027E-07 0.100000E-04    0.994297E+00
  37   -0.164270E-04    0.259249E+03  0.633638E-07 0.100000E-04    0.996337E+00
  38   -0.202975E-05    0.253866E+03  0.799535E-08 0.100000E-04    0.978156E+00
  39   -0.182454E-04    0.242374E+03  0.752780E-07 0.100000E-04    0.997307E+00
  40   -0.518981E-05    0.237979E+03  0.218079E-07 0.100000E-04    0.951538E+00
  41   -0.348859E-04    0.235373E+03  0.148215E-06 0.100000E-04    0.995959E+00
  42   -0.101329E-04    0.228596E+03  0.443266E-07 0.100000E-04    0.994092E+00
  43   -0.118545E-04    0.220700E+03  0.537130E-07 0.100000E-04    0.995651E+00
  44   -0.213739E-04    0.213567E+03  0.100081E-06 0.100000E-04    0.995288E+00
  45    0.101365E-05    0.212152E+03 -0.477792E-08 0.100000E-04    0.950098E+00
  46    0.211479E-04    0.207527E+03 -0.101904E-06 0.100000E-04    0.995485E+00
  47   -0.292856E-04    0.203507E+03  0.143905E-06 0.100000E-04    0.999488E+00
  48    0.391990E-05    0.197668E+03 -0.198307E-07 0.100000E-04    0.992717E+00
  49   -0.223443E-04    0.195354E+03  0.114379E-06 0.100000E-04    0.998153E+00
  50   -0.943379E-05    0.191557E+03  0.492478E-07 0.100000E-04    0.990641E+00
  51   -0.146138E-04    0.184539E+03  0.791908E-07 0.100000E-04    0.999360E+00
  52   -0.244264E-05    0.175378E+03  0.139278E-07 0.100000E-04    0.994331E+00
  53   -0.117868E-04    0.171697E+03  0.686486E-07 0.100000E-04    0.997366E+00
  54    0.149566E-04    0.167554E+03 -0.892647E-07 0.100000E-04    0.996710E+00
  55   -0.196100E-04    0.165201E+03  0.118704E-06 0.100000E-04    0.998937E+00
  56   -0.594108E-05    0.159265E+03  0.373032E-07 0.100000E-04    0.991672E+00
  57   -0.852858E-05    0.153835E+03  0.554398E-07 0.100000E-04    0.994756E+00
  58    0.223886E-04    0.151200E+03 -0.148073E-06 0.100000E-04    0.997274E+00
  59    0.509852E-06    0.148849E+03 -0.342529E-08 0.100000E-04    0.829562E+00
  60    0.206808E-04    0.143208E+03 -0.144411E-06 0.100000E-04    0.999308E+00
  61   -0.236991E-04    0.137053E+03  0.172919E-06 0.100000E-04    0.992337E+00
  62   -0.307860E-04    0.135729E+03  0.226819E-06 0.100000E-04    0.999583E+00
  63    0.228623E-04    0.130711E+03 -0.174907E-06 0.100000E-04    0.996391E+00
  64    0.217916E-04    0.127941E+03 -0.170326E-06 0.100000E-04    0.994014E+00
  65   -0.119622E-04    0.126067E+03  0.948881E-07 0.100000E-04    0.977795E+00
  66    0.243475E-04    0.125590E+03 -0.193865E-06 0.100000E-04    0.998771E+00
  67    0.567655E-05    0.119692E+03 -0.474263E-07 0.100000E-04    0.996272E+00
  68   -0.885747E-05    0.118045E+03  0.750345E-07 0.100000E-04    0.997915E+00
  69   -0.494980E-05    0.116977E+03  0.423144E-07 0.100000E-04    0.989033E+00
  70   -0.235666E-04    0.111186E+03  0.211957E-06 0.100000E-04    0.998904E+00
  71    0.490779E-05    0.108118E+03 -0.453927E-07 0.100000E-04    0.992957E+00
  72    0.517372E-04    0.104839E+03 -0.493492E-06 0.100000E-04    0.994018E+00
  73   -0.254683E-04    0.103067E+03  0.247104E-06 0.100000E-04    0.997225E+00
  74   -0.295085E-04    0.998179E+02  0.295624E-06 0.100000E-04    0.998445E+00
  75   -0.634067E-04    0.960742E+02  0.659976E-06 0.100000E-04    0.994339E+00
  76   -0.182147E-04    0.949949E+02  0.191744E-06 0.100000E-04    0.977611E+00
  77    0.613479E-04    0.925967E+02 -0.662527E-06 0.100000E-04    0.998263E+00
  78    0.251838E-06    0.904118E+02 -0.278545E-08 0.100000E-04    0.883833E+00
  79   -0.122499E-04    0.898058E+02  0.136404E-06 0.100000E-04    0.997942E+00
  80   -0.208136E-04    0.849134E+02  0.245115E-06 0.100000E-04    0.999670E+00
  81   -0.204378E-04    0.809169E+02  0.252577E-06 0.100000E-04    0.996434E+00
  82    0.171359E-05    0.797469E+02 -0.214878E-07 0.100000E-04    0.955564E+00
  83    0.152516E-04    0.783261E+02 -0.194719E-06 0.100000E-04    0.995007E+00
  84    0.358971E-04    0.727503E+02 -0.493429E-06 0.100000E-04    0.993610E+00
  85   -0.432866E-04    0.720912E+02  0.600443E-06 0.100000E-04    0.996476E+00
  86    0.263891E-05    0.682921E+02 -0.386415E-07 0.100000E-04    0.923651E+00
  87    0.417493E-04    0.668992E+02 -0.624063E-06 0.100000E-04    0.999228E+00
  88    0.316390E-05    0.632812E+02 -0.499975E-07 0.100000E-04    0.973015E+00
  89   -0.521302E-04    0.603871E+02  0.863266E-06 0.100000E-04    0.999250E+00
  90   -0.296462E-04    0.597104E+02  0.496500E-06 0.100000E-04    0.987926E+00
  91   -0.221071E-05    0.590504E+02  0.374377E-07 0.100000E-04    0.945719E+00
  92   -0.600173E-04    0.560199E+02  0.107136E-05 0.100000E-04    0.999361E+00
  93    0.325574E-04    0.528785E+02 -0.615701E-06 0.100000E-04    0.999099E+00
  94    0.437756E-04    0.522658E+02 -0.837559E-06 0.100000E-04    0.994471E+00
  95   -0.264319E-04    0.501097E+02  0.527481E-06 0.100000E-04    0.998160E+00
  96    0.910042E-05    0.476513E+02 -0.190979E-06 0.100000E-04    0.986963E+00
  97    0.402236E-04    0.429166E+02 -0.937251E-06 0.100000E-04    0.994601E+00
  98    0.387248E-04    0.403223E+02 -0.960382E-06 0.100000E-04    0.994921E+00
  99   -0.117278E-03    0.373057E+02  0.314369E-05 0.100000E-04    0.995841E+00
 100   -0.105797E-03    0.360719E+02  0.293295E-05 0.100000E-04    0.996912E+00
 101    0.153035E-04    0.349289E+02 -0.438134E-06 0.100000E-04    0.973416E+00
 102    0.961290E-04    0.288271E+02 -0.333467E-05 0.100000E-04    0.996507E+00
 103   -0.720632E-05    0.286841E+02  0.251230E-06 0.100000E-04    0.933044E+00
 104    0.758425E-04    0.277101E+02 -0.273699E-05 0.100000E-04    0.988497E+00
 105   -0.533346E-04    0.229454E+02  0.232441E-05 0.100000E-04    0.999283E+00
 106   -0.113761E-04    0.215431E+02  0.528064E-06 0.100000E-04    0.916323E+00
 107   -0.117347E-03    0.202761E+02  0.578745E-05 0.100000E-04    0.993958E+00
 108   -0.115907E-04    0.168226E+02  0.688994E-06 0.100000E-04    0.951806E+00
 109   -0.748738E-04    0.137807E+02  0.543324E-05 0.100000E-04    0.997645E+00
 110    0.460422E-02    0.122574E+02 -0.100000E-04 0.100000E-04    0.486111E+00
 111    0.423996E-02    0.985853E+01 -0.100000E-04 0.100000E-04    0.757735E+00
 112   -0.482192E-02    0.913197E+01  0.100000E-04 0.100000E-04    0.349450E+00
 113   -0.189717E-01    0.728915E+01  0.138094E-04 0.138094E-04    0.173926E-01
 114   -0.609733E+00    0.435143E+01 -0.400000E-03 0.400000E-03    0.466839E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1374742081    

 Beginning of optimization cycle  305.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3627710867
 potential> RMS force:                                               0.0573014771   |gradient|=.6118123546    
 Eigenvalues of the Hessian matrix:
   731.91033    673.36242    626.66765    604.31919    588.50217    570.42838 
   566.75034    482.32643    465.60209    461.46886    441.36297    429.85921 
   421.72667    407.77054    397.51266    388.84653    367.73645    361.95883 
   351.01551    336.68092    325.64211    321.49009    320.09902    313.26818 
   304.22155    288.37570    278.90988    270.71610    266.66788    264.03910 
   259.26154    253.86808    242.36947    237.98813    235.36163    228.59344 
   220.67951    213.57455    212.15760    207.51918    203.50886    197.66268 
   195.35076    191.55641    184.52879    175.36662    171.70307    167.55330 
   165.19482    159.25484    153.83982    151.20462    148.84235    143.21048 
   137.05504    135.73296    130.70972    127.94467    126.06749    125.59049 
   119.69383    118.04620    116.97851    111.17971    108.10908    104.83589 
   103.06816     99.81618     96.06668     94.99031     92.60948     90.41418 
    89.80367     84.91620     80.91687     79.74936     78.32482     72.75137 
    72.09577     68.29187     66.88660     63.27881     60.37765     59.71126 
    59.05132     56.02069     52.87478     52.26658     50.10832     47.64757 
    42.91497     40.32479     37.30988     36.07582     34.91736     28.82661 
    28.68305     27.70191     22.94670     21.53736     20.28087     16.82238 
    13.78099     12.25699      9.85965      9.12375      7.28406      4.34696 
overlap for current and previous eigenvector    109 is        -0.9999995860
overlap for current and previous eigenvector    110 is         0.9999994579
overlap for current and previous eigenvector    111 is         0.9999929904
overlap for current and previous eigenvector    112 is        -0.9999872317
overlap for current and previous eigenvector    113 is        -0.9999940913
overlap for current and previous eigenvector    114 is        -0.9999997104
J1,K1,R1,R2,RAT=   7   7   -0.7285038142E-02     2.007115358        0.9927149619    
FOB,PFOB,DIAG,PSTEP=   -0.3529046335E-05   -0.3503520886E-05     731.9103306        0.4787223250E-08
J1,K1,R1,R2,RAT=   8   8   -0.8450137127E-02     2.008421982        0.9915498629    
FOB,PFOB,DIAG,PSTEP=   -0.4256455441E-05   -0.4220788695E-05     673.3624162        0.6268315565E-08
J1,K1,R1,R2,RAT=   9   9   -0.1693069576E-01     2.016891378        0.9830693042    
FOB,PFOB,DIAG,PSTEP=    0.1055985398E-06    0.1038404148E-06     626.6676497       -0.1657057873E-09
J1,K1,R1,R2,RAT=  10  10    0.7083335260E-02     1.992935440        0.9929166647    
FOB,PFOB,DIAG,PSTEP=    0.1895605324E-05    0.1909128192E-05     604.3191865       -0.3159109147E-08
J1,K1,R1,R2,RAT=  11  11   -0.8162780682E-02     2.008195440        0.9918372193    
FOB,PFOB,DIAG,PSTEP=   -0.1344979346E-05   -0.1334089643E-05     588.5021663        0.2266886911E-08
J1,K1,R1,R2,RAT= 109 109     1.994703421        0.5251288306E-02    0.9947034207    
FOB,PFOB,DIAG,PSTEP=    0.7448055943E-04   -0.7487375199E-04     13.78098994        0.5433241583E-05
J1,K1,R1,R2,RAT= 110 110   -0.5112207056         75.63933084        0.4887792944    
FOB,PFOB,DIAG,PSTEP=    0.4666883850E-02    0.4604223565E-02     12.25699291       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2502512625         85.75599682        0.7497487375    
FOB,PFOB,DIAG,PSTEP=    0.4215282166E-02    0.4239956056E-02     9.859646598       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     106.4941708       -0.7937339645        0.2062660355    
FOB,PFOB,DIAG,PSTEP=    0.4894340584E-02   -0.4821922274E-02     9.123750893        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     378.0377799       -0.8218732794        0.1781267206    
FOB,PFOB,DIAG,PSTEP=    0.1905441206E-01   -0.1897174128E-01     7.284058109        0.1380936756E-04
J1,K1,R1,R2,RAT= 114 114    -702.3283955        0.9953127990        0.4687201011E-02
FOB,PFOB,DIAG,PSTEP=    0.6114635506       -0.6097329180         4.346956767       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00001      0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001     -0.00002      0.00000     -0.00002 
    -0.00002     -0.00003      0.00002     -0.00002      0.00001     -0.00002 
    -0.00001     -0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
    -0.00003      0.00003      0.00006      0.00002     -0.00006     -0.00000 
     0.00001     -0.00002      0.00002     -0.00000      0.00002     -0.00004 
    -0.00004      0.00000      0.00004      0.00000      0.00005     -0.00003 
     0.00000      0.00006     -0.00003     -0.00004     -0.00003     -0.00001 
     0.00004     -0.00004     -0.00012     -0.00011     -0.00002      0.00010 
     0.00001     -0.00008     -0.00005     -0.00001     -0.00012     -0.00001 
     0.00007      0.00467      0.00422      0.00489      0.01905      0.61146 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4293008432
 Log product of positive Hessian eigenvalues =          519.9072755742
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3469567670
 Unscaled step for mode    7=        0.0000000048
 Unscaled step for mode    8=        0.0000000063
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000020
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000053
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000118
 Unscaled step for mode   17=       -0.0000000095
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000360
 Unscaled step for mode   20=       -0.0000000198
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000160
 Unscaled step for mode   23=       -0.0000000004
 Unscaled step for mode   24=        0.0000000026
 Unscaled step for mode   25=        0.0000000532
 Unscaled step for mode   26=        0.0000000917
 Unscaled step for mode   27=        0.0000000478
 Unscaled step for mode   28=       -0.0000000354
 Unscaled step for mode   29=       -0.0000000194
 Unscaled step for mode   30=        0.0000000774
 Unscaled step for mode   31=        0.0000000408
 Unscaled step for mode   32=        0.0000000186
 Unscaled step for mode   33=       -0.0000000388
 Unscaled step for mode   34=       -0.0000000324
 Unscaled step for mode   35=       -0.0000000880
 Unscaled step for mode   36=       -0.0000000582
 Unscaled step for mode   37=        0.0000000636
 Unscaled step for mode   38=        0.0000000079
 Unscaled step for mode   39=        0.0000000754
 Unscaled step for mode   40=        0.0000000226
 Unscaled step for mode   41=        0.0000001487
 Unscaled step for mode   42=        0.0000000445
 Unscaled step for mode   43=        0.0000000542
 Unscaled step for mode   44=        0.0000001007
 Unscaled step for mode   45=       -0.0000000045
 Unscaled step for mode   46=       -0.0000001024
 Unscaled step for mode   47=        0.0000001441
 Unscaled step for mode   48=       -0.0000000200
 Unscaled step for mode   49=        0.0000001149
 Unscaled step for mode   50=       -0.0000000490
 Unscaled step for mode   51=        0.0000000797
 Unscaled step for mode   52=       -0.0000000142
 Unscaled step for mode   53=        0.0000000689
 Unscaled step for mode   54=        0.0000000899
 Unscaled step for mode   55=       -0.0000001188
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000559
 Unscaled step for mode   58=        0.0000001484
 Unscaled step for mode   59=       -0.0000000033
 Unscaled step for mode   60=        0.0000001451
 Unscaled step for mode   61=        0.0000001736
 Unscaled step for mode   62=        0.0000002265
 Unscaled step for mode   63=       -0.0000001746
 Unscaled step for mode   64=        0.0000001716
 Unscaled step for mode   65=       -0.0000000968
 Unscaled step for mode   66=        0.0000001928
 Unscaled step for mode   67=        0.0000000479
 Unscaled step for mode   68=        0.0000000752
 Unscaled step for mode   69=        0.0000000424
 Unscaled step for mode   70=        0.0000002131
 Unscaled step for mode   71=        0.0000000455
 Unscaled step for mode   72=        0.0000004948
 Unscaled step for mode   73=        0.0000002481
 Unscaled step for mode   74=       -0.0000002949
 Unscaled step for mode   75=       -0.0000006640
 Unscaled step for mode   76=       -0.0000001880
 Unscaled step for mode   77=        0.0000006622
 Unscaled step for mode   78=        0.0000000011
 Unscaled step for mode   79=       -0.0000001342
 Unscaled step for mode   80=        0.0000002461
 Unscaled step for mode   81=       -0.0000002530
 Unscaled step for mode   82=        0.0000000192
 Unscaled step for mode   83=       -0.0000001963
 Unscaled step for mode   84=        0.0000004946
 Unscaled step for mode   85=        0.0000005999
 Unscaled step for mode   86=       -0.0000000348
 Unscaled step for mode   87=       -0.0000006258
 Unscaled step for mode   88=       -0.0000000505
 Unscaled step for mode   89=       -0.0000008647
 Unscaled step for mode   90=        0.0000004984
 Unscaled step for mode   91=       -0.0000000389
 Unscaled step for mode   92=       -0.0000010743
 Unscaled step for mode   93=        0.0000006116
 Unscaled step for mode   94=        0.0000008383
 Unscaled step for mode   95=        0.0000005225
 Unscaled step for mode   96=        0.0000001906
 Unscaled step for mode   97=       -0.0000009371
 Unscaled step for mode   98=        0.0000009641
 Unscaled step for mode   99=        0.0000031458
 Unscaled step for mode  100=        0.0000029289
 Unscaled step for mode  101=        0.0000004412
 Unscaled step for mode  102=       -0.0000033347
 Unscaled step for mode  103=       -0.0000002678
 Unscaled step for mode  104=        0.0000027349
 Unscaled step for mode  105=        0.0000023380
 Unscaled step for mode  106=        0.0000005077
 Unscaled step for mode  107=        0.0000057997
 Unscaled step for mode  108=        0.0000006694
 Unscaled step for mode  109=       -0.0000054046
 Unscaled step for mode  110=       -0.0003807527
 Unscaled step for mode  111=       -0.0004275286
 Unscaled step for mode  112=       -0.0005364394
 Unscaled step for mode  113=       -0.0026158882
 Unscaled step for mode  114=        0.1379864484
 Largest modulus ratio of non-zero e/values=           168.3730411    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.451679E-15    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.121452E-14    0.100718E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.413948E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.186049E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.177569E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.954098E-17    0.973857E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.352905E-05    0.731910E+03  0.482169E-08 0.100000E-04    0.992715E+00
   8   -0.425646E-05    0.673362E+03  0.632120E-08 0.100000E-04    0.991550E+00
   9    0.105599E-06    0.626668E+03 -0.168508E-09 0.100000E-04    0.983069E+00
  10    0.189561E-05    0.604319E+03 -0.313676E-08 0.100000E-04    0.992917E+00
  11   -0.134498E-05    0.588502E+03  0.228543E-08 0.100000E-04    0.991837E+00
  12   -0.111829E-05    0.570428E+03  0.196043E-08 0.100000E-04    0.962751E+00
  13   -0.341722E-05    0.566750E+03  0.602949E-08 0.100000E-04    0.991376E+00
  14   -0.256199E-05    0.482326E+03  0.531173E-08 0.100000E-04    0.983598E+00
  15    0.180651E-05    0.465602E+03 -0.387995E-08 0.100000E-04    0.987528E+00
  16    0.544680E-05    0.461469E+03 -0.118032E-07 0.100000E-04    0.997149E+00
  17    0.417481E-05    0.441363E+03 -0.945891E-08 0.100000E-04    0.998863E+00
  18    0.496530E-05    0.429859E+03 -0.115510E-07 0.100000E-04    0.995155E+00
  19   -0.151861E-04    0.421727E+03  0.360094E-07 0.100000E-04    0.997670E+00
  20    0.807407E-05    0.407771E+03 -0.198005E-07 0.100000E-04    0.997659E+00
  21    0.727990E-05    0.397513E+03 -0.183136E-07 0.100000E-04    0.999302E+00
  22   -0.621299E-05    0.388847E+03  0.159780E-07 0.100000E-04    0.996687E+00
  23    0.144557E-06    0.367736E+03 -0.393101E-09 0.100000E-04    0.899792E+00
  24   -0.956165E-06    0.361959E+03  0.264164E-08 0.100000E-04    0.984974E+00
  25   -0.186580E-04    0.351016E+03  0.531544E-07 0.100000E-04    0.996724E+00
  26   -0.308803E-04    0.336681E+03  0.917198E-07 0.100000E-04    0.998038E+00
  27   -0.155730E-04    0.325642E+03  0.478224E-07 0.100000E-04    0.996754E+00
  28    0.113803E-04    0.321490E+03 -0.353986E-07 0.100000E-04    0.990832E+00
  29    0.621209E-05    0.320099E+03 -0.194068E-07 0.100000E-04    0.986131E+00
  30   -0.242564E-04    0.313268E+03  0.774300E-07 0.100000E-04    0.998156E+00
  31   -0.124195E-04    0.304222E+03  0.408240E-07 0.100000E-04    0.991851E+00
  32   -0.536552E-05    0.288376E+03  0.186060E-07 0.100000E-04    0.998365E+00
  33    0.108245E-04    0.278910E+03 -0.388099E-07 0.100000E-04    0.999271E+00
  34    0.877656E-05    0.270716E+03 -0.324198E-07 0.100000E-04    0.995584E+00
  35    0.234790E-04    0.266668E+03 -0.880459E-07 0.100000E-04    0.998691E+00
  36    0.153572E-04    0.264039E+03 -0.581627E-07 0.100000E-04    0.995478E+00
  37   -0.164891E-04    0.259262E+03  0.636002E-07 0.100000E-04    0.996221E+00
  38   -0.200272E-05    0.253868E+03  0.788882E-08 0.100000E-04    0.986668E+00
  39   -0.182744E-04    0.242369E+03  0.753988E-07 0.100000E-04    0.998414E+00
  40   -0.538298E-05    0.237988E+03  0.226187E-07 0.100000E-04    0.962780E+00
  41   -0.350092E-04    0.235362E+03  0.148747E-06 0.100000E-04    0.996463E+00
  42   -0.101785E-04    0.228593E+03  0.445265E-07 0.100000E-04    0.995504E+00
  43   -0.119511E-04    0.220680E+03  0.541561E-07 0.100000E-04    0.991844E+00
  44   -0.215024E-04    0.213575E+03  0.100678E-06 0.100000E-04    0.993990E+00
  45    0.952446E-06    0.212158E+03 -0.448933E-08 0.100000E-04    0.939574E+00
  46    0.212587E-04    0.207519E+03 -0.102442E-06 0.100000E-04    0.994759E+00
  47   -0.293233E-04    0.203509E+03  0.144088E-06 0.100000E-04    0.998714E+00
  48    0.395865E-05    0.197663E+03 -0.200273E-07 0.100000E-04    0.990115E+00
  49   -0.224546E-04    0.195351E+03  0.114945E-06 0.100000E-04    0.995065E+00
  50    0.938046E-05    0.191556E+03 -0.489697E-07 0.100000E-04    0.994347E+00
  51   -0.146989E-04    0.184529E+03  0.796566E-07 0.100000E-04    0.994173E+00
  52    0.248376E-05    0.175367E+03 -0.141633E-07 0.100000E-04    0.983163E+00
  53   -0.118348E-04    0.171703E+03  0.689258E-07 0.100000E-04    0.995928E+00
  54   -0.150703E-04    0.167553E+03  0.899434E-07 0.100000E-04    0.992400E+00
  55    0.196304E-04    0.165195E+03 -0.118832E-06 0.100000E-04    0.998960E+00
  56    0.589025E-05    0.159255E+03 -0.369863E-07 0.100000E-04    0.991445E+00
  57    0.860061E-05    0.153840E+03 -0.559063E-07 0.100000E-04    0.991555E+00
  58   -0.224433E-04    0.151205E+03  0.148430E-06 0.100000E-04    0.997556E+00
  59    0.486618E-06    0.148842E+03 -0.326935E-08 0.100000E-04    0.954428E+00
  60   -0.207762E-04    0.143210E+03  0.145075E-06 0.100000E-04    0.995387E+00
  61   -0.237939E-04    0.137055E+03  0.173608E-06 0.100000E-04    0.996000E+00
  62   -0.307378E-04    0.135733E+03  0.226458E-06 0.100000E-04    0.998379E+00
  63    0.228271E-04    0.130710E+03 -0.174639E-06 0.100000E-04    0.998459E+00
  64   -0.219544E-04    0.127945E+03  0.171593E-06 0.100000E-04    0.992529E+00
  65    0.122001E-04    0.126067E+03 -0.967741E-07 0.100000E-04    0.980116E+00
  66   -0.242182E-04    0.125590E+03  0.192835E-06 0.100000E-04    0.994683E+00
  67   -0.573251E-05    0.119694E+03  0.478932E-07 0.100000E-04    0.990141E+00
  68   -0.887193E-05    0.118046E+03  0.751564E-07 0.100000E-04    0.998367E+00
  69   -0.495904E-05    0.116979E+03  0.423927E-07 0.100000E-04    0.998135E+00
  70   -0.236909E-04    0.111180E+03  0.213087E-06 0.100000E-04    0.994725E+00
  71   -0.492413E-05    0.108109E+03  0.455478E-07 0.100000E-04    0.996671E+00
  72   -0.518708E-04    0.104836E+03  0.494781E-06 0.100000E-04    0.997418E+00
  73   -0.255666E-04    0.103068E+03  0.248055E-06 0.100000E-04    0.996142E+00
  74    0.294370E-04    0.998162E+02 -0.294912E-06 0.100000E-04    0.997577E+00
  75    0.637926E-04    0.960667E+02 -0.664045E-06 0.100000E-04    0.993914E+00
  76    0.178566E-04    0.949903E+02 -0.187983E-06 0.100000E-04    0.980337E+00
  77   -0.613242E-04    0.926095E+02  0.662180E-06 0.100000E-04    0.999339E+00
  78   -0.102803E-06    0.904142E+02  0.113702E-08 0.100000E-04    0.408173E+00
  79    0.120544E-04    0.898037E+02 -0.134231E-06 0.100000E-04    0.984040E+00
  80   -0.209001E-04    0.849162E+02  0.246126E-06 0.100000E-04    0.995843E+00
  81    0.204703E-04    0.809169E+02 -0.252979E-06 0.100000E-04    0.998410E+00
  82   -0.152999E-05    0.797494E+02  0.191849E-07 0.100000E-04    0.892797E+00
  83    0.153721E-04    0.783248E+02 -0.196260E-06 0.100000E-04    0.992099E+00
  84   -0.359801E-04    0.727514E+02  0.494562E-06 0.100000E-04    0.997690E+00
  85   -0.432498E-04    0.720958E+02  0.599893E-06 0.100000E-04    0.999021E+00
  86    0.237914E-05    0.682919E+02 -0.348378E-07 0.100000E-04    0.901561E+00
  87    0.418564E-04    0.668866E+02 -0.625781E-06 0.100000E-04    0.997435E+00
  88    0.319696E-05    0.632788E+02 -0.505218E-07 0.100000E-04    0.989551E+00
  89    0.522112E-04    0.603776E+02 -0.864743E-06 0.100000E-04    0.998446E+00
  90   -0.297625E-04    0.597113E+02  0.498441E-06 0.100000E-04    0.996076E+00
  91    0.229620E-05    0.590513E+02 -0.388848E-07 0.100000E-04    0.961330E+00
  92    0.601831E-04    0.560207E+02 -0.107430E-05 0.100000E-04    0.997237E+00
  93   -0.323367E-04    0.528748E+02  0.611571E-06 0.100000E-04    0.993221E+00
  94   -0.438174E-04    0.522666E+02  0.838345E-06 0.100000E-04    0.999046E+00
  95   -0.261821E-04    0.501083E+02  0.522510E-06 0.100000E-04    0.990549E+00
  96   -0.908160E-05    0.476476E+02  0.190599E-06 0.100000E-04    0.997932E+00
  97    0.402164E-04    0.429150E+02 -0.937117E-06 0.100000E-04    0.999820E+00
  98   -0.388786E-04    0.403248E+02  0.964135E-06 0.100000E-04    0.996030E+00
  99   -0.117370E-03    0.373099E+02  0.314581E-05 0.100000E-04    0.999212E+00
 100   -0.105661E-03    0.360758E+02  0.292887E-05 0.100000E-04    0.998501E+00
 101   -0.154044E-04    0.349174E+02  0.441166E-06 0.100000E-04    0.993408E+00
 102    0.961293E-04    0.288266E+02 -0.333474E-05 0.100000E-04    0.999996E+00
 103    0.768132E-05    0.286830E+02 -0.267800E-06 0.100000E-04    0.934084E+00
 104   -0.757632E-04    0.277019E+02  0.273494E-05 0.100000E-04    0.998954E+00
 105   -0.536499E-04    0.229467E+02  0.233802E-05 0.100000E-04    0.994089E+00
 106   -0.109354E-04    0.215374E+02  0.507743E-06 0.100000E-04    0.961252E+00
 107   -0.117623E-03    0.202809E+02  0.579972E-05 0.100000E-04    0.997642E+00
 108   -0.112617E-04    0.168224E+02  0.669448E-06 0.100000E-04    0.971618E+00
 109    0.744806E-04    0.137810E+02 -0.540459E-05 0.100000E-04    0.994703E+00
 110    0.466688E-02    0.122570E+02 -0.100000E-04 0.100000E-04    0.488779E+00
 111    0.421528E-02    0.985965E+01 -0.100000E-04 0.100000E-04    0.749749E+00
 112    0.489434E-02    0.912375E+01 -0.100000E-04 0.100000E-04    0.206266E+00
 113    0.190544E-01    0.728406E+01 -0.150522E-04 0.150522E-04    0.178127E+00
 114    0.611464E+00    0.434696E+01  0.400000E-03 0.400000E-03    0.468720E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1379864484    

 Beginning of optimization cycle  306.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3625265774
 potential> RMS force:                                               0.0574636011   |gradient|=.6135433652    
 Eigenvalues of the Hessian matrix:
   731.97245    673.37176    626.67997    604.31350    588.49247    570.47127 
   566.75803    482.35106    465.57877    461.46166    441.36394    429.85144 
   421.73145    407.77901    397.50764    388.84618    367.74301    361.94987 
   351.00822    336.65847    325.65334    321.48833    320.10680    313.24203 
   304.21114    288.38404    278.90459    270.71703    266.67669    264.04733 
   259.27439    253.87019    242.36509    237.99792    235.35057    228.59053 
   220.65892    213.58240    212.16323    207.51181    203.51100    197.65687 
   195.34784    191.55532    184.51861    175.35490    171.70904    167.55273 
   165.18879    159.24502    153.84462    151.20949    148.83544    143.21288 
   137.05696    135.73671    130.70801    127.94885    126.06848    125.59078 
   119.69570    118.04714    116.98028    111.17350    108.09976    104.83279 
   103.06911     99.81450     96.05919     94.98560     92.62224     90.41663 
    89.80138     84.91904     80.91681     79.75189     78.32350     72.75244 
    72.10033     68.29156     66.87398     63.27639     60.36817     59.71208 
    59.05225     56.02146     52.87100     52.26739     50.10697     47.64380 
    42.91341     40.32726     37.31411     36.07960     34.90580     28.82610 
    28.68195     27.69367     22.94801     21.53160     20.28568     16.82216 
    13.78131     12.25657      9.86078      9.11559      7.27891      4.34246 
overlap for current and previous eigenvector    109 is         0.9999995890
overlap for current and previous eigenvector    110 is         0.9999994598
overlap for current and previous eigenvector    111 is         0.9999933783
overlap for current and previous eigenvector    112 is         0.9999876002
overlap for current and previous eigenvector    113 is         0.9999940697
overlap for current and previous eigenvector    114 is         0.9999997088
J1,K1,R1,R2,RAT=   7   7   -0.7565663095E-02     2.007395928        0.9924343369    
FOB,PFOB,DIAG,PSTEP=   -0.3555748177E-05   -0.3529046335E-05     731.9724511        0.4821692204E-08
J1,K1,R1,R2,RAT=   8   8   -0.8228058265E-02     2.008200309        0.9917719417    
FOB,PFOB,DIAG,PSTEP=   -0.4291478290E-05   -0.4256455441E-05     673.3717589        0.6321195449E-08
J1,K1,R1,R2,RAT=   9   9    0.1413987090         1.858561969        0.8585619688    
FOB,PFOB,DIAG,PSTEP=    0.9066674905E-07    0.1055985398E-06     626.6799709       -0.1685080439E-09
J1,K1,R1,R2,RAT=  10  10    0.5211229480E-02     1.994807595        0.9947887705    
FOB,PFOB,DIAG,PSTEP=    0.1885726983E-05    0.1895605324E-05     604.3134985       -0.3136761775E-08
J1,K1,R1,R2,RAT=  11  11    0.1861908046E-02     1.998171039        0.9981380920    
FOB,PFOB,DIAG,PSTEP=   -0.1342475160E-05   -0.1344979346E-05     588.4924717        0.2285428029E-08
J1,K1,R1,R2,RAT= 109 109   -0.5885835622E-03     2.000542733        0.9994114164    
FOB,PFOB,DIAG,PSTEP=    0.7452439846E-04    0.7448055943E-04     13.78130588       -0.5404587026E-05
J1,K1,R1,R2,RAT= 110 110   -0.5063951553         76.65954820        0.4936048447    
FOB,PFOB,DIAG,PSTEP=    0.4728950548E-02    0.4666883850E-02     12.25657419       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2491482571         85.24674934        0.7508517429    
FOB,PFOB,DIAG,PSTEP=    0.4190714199E-02    0.4215282166E-02     9.860782295       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8203813773         108.2043283        0.1796186227    
FOB,PFOB,DIAG,PSTEP=    0.4969123193E-02    0.4894340584E-02     9.115590784       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7070123785         348.5306946        0.2929876215    
FOB,PFOB,DIAG,PSTEP=    0.1913187490E-01    0.1905441206E-01     7.278906029       -0.1505221064E-04
J1,K1,R1,R2,RAT= 114 114    0.9952151283        -705.0464338        0.4784871704E-02
FOB,PFOB,DIAG,PSTEP=    0.6131922254        0.6114635506         4.342464969        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00001      0.00000     -0.00001     -0.00002 
     0.00002      0.00001     -0.00001      0.00002      0.00000      0.00002 
    -0.00002     -0.00003      0.00002     -0.00002      0.00001      0.00002 
     0.00001     -0.00001     -0.00000     -0.00002     -0.00000     -0.00005 
     0.00003      0.00003      0.00006     -0.00002      0.00006      0.00000 
     0.00001      0.00002      0.00002     -0.00000      0.00002     -0.00004 
    -0.00004      0.00000      0.00004      0.00000     -0.00005      0.00003 
     0.00000      0.00006     -0.00003     -0.00004     -0.00003     -0.00001 
     0.00004     -0.00004     -0.00012     -0.00011      0.00002     -0.00010 
    -0.00001      0.00008      0.00005     -0.00001     -0.00012     -0.00001 
     0.00007      0.00473      0.00419      0.00497      0.01913      0.61319 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4291733167
 Log product of positive Hessian eigenvalues =          519.9037241023
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3424649688
 Unscaled step for mode    7=        0.0000000049
 Unscaled step for mode    8=        0.0000000064
 Unscaled step for mode    9=       -0.0000000001
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000021
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000052
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000118
 Unscaled step for mode   17=       -0.0000000094
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000361
 Unscaled step for mode   20=       -0.0000000197
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000161
 Unscaled step for mode   23=       -0.0000000005
 Unscaled step for mode   24=        0.0000000027
 Unscaled step for mode   25=        0.0000000533
 Unscaled step for mode   26=        0.0000000919
 Unscaled step for mode   27=        0.0000000479
 Unscaled step for mode   28=       -0.0000000357
 Unscaled step for mode   29=       -0.0000000197
 Unscaled step for mode   30=        0.0000000776
 Unscaled step for mode   31=        0.0000000412
 Unscaled step for mode   32=        0.0000000187
 Unscaled step for mode   33=       -0.0000000389
 Unscaled step for mode   34=       -0.0000000326
 Unscaled step for mode   35=       -0.0000000882
 Unscaled step for mode   36=       -0.0000000585
 Unscaled step for mode   37=        0.0000000638
 Unscaled step for mode   38=        0.0000000078
 Unscaled step for mode   39=        0.0000000755
 Unscaled step for mode   40=        0.0000000235
 Unscaled step for mode   41=        0.0000001494
 Unscaled step for mode   42=        0.0000000449
 Unscaled step for mode   43=        0.0000000546
 Unscaled step for mode   44=        0.0000001014
 Unscaled step for mode   45=       -0.0000000043
 Unscaled step for mode   46=       -0.0000001030
 Unscaled step for mode   47=        0.0000001444
 Unscaled step for mode   48=       -0.0000000202
 Unscaled step for mode   49=        0.0000001155
 Unscaled step for mode   50=       -0.0000000486
 Unscaled step for mode   51=        0.0000000800
 Unscaled step for mode   52=       -0.0000000144
 Unscaled step for mode   53=        0.0000000691
 Unscaled step for mode   54=        0.0000000905
 Unscaled step for mode   55=       -0.0000001190
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=        0.0000000562
 Unscaled step for mode   58=       -0.0000001488
 Unscaled step for mode   59=       -0.0000000029
 Unscaled step for mode   60=       -0.0000001455
 Unscaled step for mode   61=        0.0000001742
 Unscaled step for mode   62=        0.0000002261
 Unscaled step for mode   63=       -0.0000001743
 Unscaled step for mode   64=        0.0000001727
 Unscaled step for mode   65=       -0.0000000984
 Unscaled step for mode   66=       -0.0000001919
 Unscaled step for mode   67=       -0.0000000487
 Unscaled step for mode   68=        0.0000000752
 Unscaled step for mode   69=        0.0000000425
 Unscaled step for mode   70=        0.0000002144
 Unscaled step for mode   71=        0.0000000459
 Unscaled step for mode   72=        0.0000004964
 Unscaled step for mode   73=       -0.0000002488
 Unscaled step for mode   74=       -0.0000002943
 Unscaled step for mode   75=       -0.0000006679
 Unscaled step for mode   76=        0.0000001839
 Unscaled step for mode   77=       -0.0000006612
 Unscaled step for mode   78=       -0.0000000002
 Unscaled step for mode   79=       -0.0000001326
 Unscaled step for mode   80=       -0.0000002467
 Unscaled step for mode   81=       -0.0000002537
 Unscaled step for mode   82=        0.0000000168
 Unscaled step for mode   83=       -0.0000001970
 Unscaled step for mode   84=        0.0000004957
 Unscaled step for mode   85=        0.0000005989
 Unscaled step for mode   86=       -0.0000000314
 Unscaled step for mode   87=       -0.0000006262
 Unscaled step for mode   88=       -0.0000000521
 Unscaled step for mode   89=        0.0000008646
 Unscaled step for mode   90=       -0.0000005001
 Unscaled step for mode   91=       -0.0000000401
 Unscaled step for mode   92=       -0.0000010762
 Unscaled step for mode   93=        0.0000006076
 Unscaled step for mode   94=        0.0000008401
 Unscaled step for mode   95=        0.0000005189
 Unscaled step for mode   96=        0.0000001908
 Unscaled step for mode   97=       -0.0000009351
 Unscaled step for mode   98=        0.0000009672
 Unscaled step for mode   99=        0.0000031459
 Unscaled step for mode  100=        0.0000029203
 Unscaled step for mode  101=       -0.0000004413
 Unscaled step for mode  102=        0.0000033350
 Unscaled step for mode  103=        0.0000002856
 Unscaled step for mode  104=       -0.0000027436
 Unscaled step for mode  105=       -0.0000023402
 Unscaled step for mode  106=        0.0000004863
 Unscaled step for mode  107=        0.0000057850
 Unscaled step for mode  108=        0.0000006694
 Unscaled step for mode  109=       -0.0000054076
 Unscaled step for mode  110=       -0.0003858297
 Unscaled step for mode  111=       -0.0004249879
 Unscaled step for mode  112=       -0.0005451234
 Unscaled step for mode  113=       -0.0026283816
 Unscaled step for mode  114=        0.1384996500
 Largest modulus ratio of non-zero e/values=           168.5615097    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.273219E-16    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.119934E-14    0.100717E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.493393E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.126635E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.347254E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.734276E-16    0.973859E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.355575E-05    0.731972E+03  0.485776E-08 0.100000E-04    0.992434E+00
   8   -0.429148E-05    0.673372E+03  0.637312E-08 0.100000E-04    0.991772E+00
   9    0.906667E-07    0.626680E+03 -0.144678E-09 0.100000E-04    0.858562E+00
  10    0.188573E-05    0.604313E+03 -0.312044E-08 0.100000E-04    0.994789E+00
  11   -0.134248E-05    0.588492E+03  0.228121E-08 0.100000E-04    0.998138E+00
  12   -0.117780E-05    0.570471E+03  0.206461E-08 0.100000E-04    0.946785E+00
  13   -0.343124E-05    0.566758E+03  0.605416E-08 0.100000E-04    0.995895E+00
  14   -0.251363E-05    0.482351E+03  0.521120E-08 0.100000E-04    0.981021E+00
  15    0.181285E-05    0.465579E+03 -0.389376E-08 0.100000E-04    0.996489E+00
  16    0.546265E-05    0.461462E+03 -0.118377E-07 0.100000E-04    0.997090E+00
  17    0.416773E-05    0.441364E+03 -0.944283E-08 0.100000E-04    0.998299E+00
  18    0.496349E-05    0.429851E+03 -0.115470E-07 0.100000E-04    0.999637E+00
  19   -0.152167E-04    0.421731E+03  0.360816E-07 0.100000E-04    0.997983E+00
  20    0.803767E-05    0.407779E+03 -0.197109E-07 0.100000E-04    0.995450E+00
  21    0.726355E-05    0.397508E+03 -0.182727E-07 0.100000E-04    0.997755E+00
  22   -0.625538E-05    0.388846E+03  0.160870E-07 0.100000E-04    0.993177E+00
  23    0.177147E-06    0.367743E+03 -0.481715E-09 0.100000E-04    0.774557E+00
  24   -0.991807E-06    0.361950E+03  0.274018E-08 0.100000E-04    0.962723E+00
  25   -0.187055E-04    0.351008E+03  0.532908E-07 0.100000E-04    0.997454E+00
  26   -0.309408E-04    0.336658E+03  0.919055E-07 0.100000E-04    0.998042E+00
  27   -0.156092E-04    0.325653E+03  0.479320E-07 0.100000E-04    0.997673E+00
  28    0.114761E-04    0.321488E+03 -0.356969E-07 0.100000E-04    0.991580E+00
  29    0.631121E-05    0.320107E+03 -0.197159E-07 0.100000E-04    0.984045E+00
  30   -0.243163E-04    0.313242E+03  0.776279E-07 0.100000E-04    0.997528E+00
  31   -0.125185E-04    0.304211E+03  0.411508E-07 0.100000E-04    0.992030E+00
  32   -0.540199E-05    0.288384E+03  0.187319E-07 0.100000E-04    0.993202E+00
  33    0.108449E-04    0.278905E+03 -0.388837E-07 0.100000E-04    0.998116E+00
  34    0.882319E-05    0.270717E+03 -0.325919E-07 0.100000E-04    0.994687E+00
  35    0.235231E-04    0.266677E+03 -0.882081E-07 0.100000E-04    0.998124E+00
  36    0.154554E-04    0.264047E+03 -0.585325E-07 0.100000E-04    0.993611E+00
  37   -0.165461E-04    0.259274E+03  0.638170E-07 0.100000E-04    0.996542E+00
  38   -0.196809E-05    0.253870E+03  0.775233E-08 0.100000E-04    0.982690E+00
  39   -0.182998E-04    0.242365E+03  0.755050E-07 0.100000E-04    0.998609E+00
  40   -0.560379E-05    0.237998E+03  0.235455E-07 0.100000E-04    0.958982E+00
  41   -0.351657E-04    0.235351E+03  0.149418E-06 0.100000E-04    0.995532E+00
  42   -0.102637E-04    0.228591E+03  0.448999E-07 0.100000E-04    0.991626E+00
  43   -0.120503E-04    0.220659E+03  0.546104E-07 0.100000E-04    0.991703E+00
  44   -0.216663E-04    0.213582E+03  0.101442E-06 0.100000E-04    0.992377E+00
  45    0.905274E-06    0.212163E+03 -0.426688E-08 0.100000E-04    0.950421E+00
  46    0.213764E-04    0.207512E+03 -0.103013E-06 0.100000E-04    0.994463E+00
  47   -0.293810E-04    0.203511E+03  0.144370E-06 0.100000E-04    0.998033E+00
  48    0.398509E-05    0.197657E+03 -0.201617E-07 0.100000E-04    0.993319E+00
  49   -0.225660E-04    0.195348E+03  0.115517E-06 0.100000E-04    0.995036E+00
  50    0.931057E-05    0.191555E+03 -0.486051E-07 0.100000E-04    0.992549E+00
  51   -0.147649E-04    0.184519E+03  0.800183E-07 0.100000E-04    0.995515E+00
  52    0.252121E-05    0.175355E+03 -0.143778E-07 0.100000E-04    0.984921E+00
  53   -0.118629E-04    0.171709E+03  0.690870E-07 0.100000E-04    0.997626E+00
  54   -0.151663E-04    0.167553E+03  0.905164E-07 0.100000E-04    0.993633E+00
  55    0.196656E-04    0.165189E+03 -0.119049E-06 0.100000E-04    0.998207E+00
  56    0.588796E-05    0.159245E+03 -0.369742E-07 0.100000E-04    0.999611E+00
  57   -0.863936E-05    0.153845E+03  0.561564E-07 0.100000E-04    0.995494E+00
  58    0.225049E-04    0.151209E+03 -0.148833E-06 0.100000E-04    0.997252E+00
  59    0.436139E-06    0.148835E+03 -0.293034E-08 0.100000E-04    0.896260E+00
  60    0.208409E-04    0.143213E+03 -0.145524E-06 0.100000E-04    0.996886E+00
  61   -0.238707E-04    0.137057E+03  0.174166E-06 0.100000E-04    0.996774E+00
  62   -0.306960E-04    0.135737E+03  0.226144E-06 0.100000E-04    0.998584E+00
  63    0.227786E-04    0.130708E+03 -0.174271E-06 0.100000E-04    0.997875E+00
  64   -0.221006E-04    0.127949E+03  0.172730E-06 0.100000E-04    0.993339E+00
  65    0.124044E-04    0.126068E+03 -0.983944E-07 0.100000E-04    0.983248E+00
  66    0.241035E-04    0.125591E+03 -0.191921E-06 0.100000E-04    0.995261E+00
  67    0.582362E-05    0.119696E+03 -0.486536E-07 0.100000E-04    0.984107E+00
  68   -0.887561E-05    0.118047E+03  0.751870E-07 0.100000E-04    0.999585E+00
  69   -0.496699E-05    0.116980E+03  0.424601E-07 0.100000E-04    0.998395E+00
  70   -0.238307E-04    0.111174E+03  0.214356E-06 0.100000E-04    0.994099E+00
  71   -0.495952E-05    0.108100E+03  0.458791E-07 0.100000E-04    0.992812E+00
  72   -0.520407E-04    0.104833E+03  0.496416E-06 0.100000E-04    0.996725E+00
  73    0.256443E-04    0.103069E+03 -0.248807E-06 0.100000E-04    0.996960E+00
  74    0.293751E-04    0.998145E+02 -0.294297E-06 0.100000E-04    0.997895E+00
  75    0.641621E-04    0.960592E+02 -0.667943E-06 0.100000E-04    0.994207E+00
  76   -0.174684E-04    0.949856E+02  0.183906E-06 0.100000E-04    0.978264E+00
  77    0.612399E-04    0.926222E+02 -0.661180E-06 0.100000E-04    0.998351E+00
  78    0.142222E-07    0.904166E+02 -0.157297E-09 0.109000E-04    0.138314E+00
  79    0.119055E-04    0.898014E+02 -0.132576E-06 0.100000E-04    0.987650E+00
  80    0.209495E-04    0.849190E+02 -0.246699E-06 0.100000E-04    0.997639E+00
  81    0.205260E-04    0.809168E+02 -0.253667E-06 0.100000E-04    0.997279E+00
  82   -0.134191E-05    0.797519E+02  0.168261E-07 0.100000E-04    0.877017E+00
  83    0.154318E-04    0.783235E+02 -0.197027E-06 0.100000E-04    0.996112E+00
  84   -0.360650E-04    0.727524E+02  0.495722E-06 0.100000E-04    0.997639E+00
  85   -0.431828E-04    0.721003E+02  0.598926E-06 0.100000E-04    0.998325E+00
  86    0.214257E-05    0.682916E+02 -0.313739E-07 0.100000E-04    0.900566E+00
  87    0.418751E-04    0.668740E+02 -0.626179E-06 0.100000E-04    0.999553E+00
  88    0.329722E-05    0.632764E+02 -0.521082E-07 0.100000E-04    0.968638E+00
  89   -0.521930E-04    0.603682E+02  0.864578E-06 0.100000E-04    0.999651E+00
  90    0.298623E-04    0.597121E+02 -0.500106E-06 0.100000E-04    0.996647E+00
  91    0.236848E-05    0.590522E+02 -0.401081E-07 0.100000E-04    0.968525E+00
  92    0.602910E-04    0.560215E+02 -0.107621E-05 0.100000E-04    0.998208E+00
  93   -0.321263E-04    0.528710E+02  0.607635E-06 0.100000E-04    0.993493E+00
  94   -0.439113E-04    0.522674E+02  0.840129E-06 0.100000E-04    0.997857E+00
  95   -0.259990E-04    0.501070E+02  0.518869E-06 0.100000E-04    0.993004E+00
  96   -0.909026E-05    0.476438E+02  0.190796E-06 0.100000E-04    0.999046E+00
  97    0.401281E-04    0.429134E+02 -0.935095E-06 0.100000E-04    0.997805E+00
  98   -0.390048E-04    0.403273E+02  0.967207E-06 0.100000E-04    0.996753E+00
  99   -0.117388E-03    0.373141E+02  0.314594E-05 0.100000E-04    0.999847E+00
 100   -0.105362E-03    0.360796E+02  0.292025E-05 0.100000E-04    0.996954E+00
 101    0.154050E-04    0.349058E+02 -0.441330E-06 0.100000E-04    0.999961E+00
 102   -0.961358E-04    0.288261E+02  0.333503E-05 0.100000E-04    0.999933E+00
 103   -0.819295E-05    0.286819E+02  0.285648E-06 0.100000E-04    0.933389E+00
 104    0.759800E-04    0.276937E+02 -0.274359E-05 0.100000E-04    0.997137E+00
 105    0.537032E-04    0.229480E+02 -0.234021E-05 0.100000E-04    0.999006E+00
 106   -0.104711E-04    0.215316E+02  0.486312E-06 0.100000E-04    0.957524E+00
 107   -0.117353E-03    0.202857E+02  0.578502E-05 0.100000E-04    0.997229E+00
 108   -0.112611E-04    0.168222E+02  0.669420E-06 0.100000E-04    0.999946E+00
 109    0.745244E-04    0.137813E+02 -0.540764E-05 0.100000E-04    0.999411E+00
 110    0.472895E-02    0.122566E+02 -0.100000E-04 0.100000E-04    0.493605E+00
 111    0.419071E-02    0.986078E+01 -0.100000E-04 0.100000E-04    0.750852E+00
 112    0.496912E-02    0.911559E+01 -0.109000E-04 0.109000E-04    0.179619E+00
 113    0.191319E-01    0.727891E+01 -0.135606E-04 0.135606E-04    0.292988E+00
 114    0.613192E+00    0.434246E+01  0.400000E-03 0.400000E-03    0.478487E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1384996500    

 Beginning of optimization cycle  307.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3622813552
 potential> RMS force:                                               0.0576255803   |gradient|=.6152728299    
 Eigenvalues of the Hessian matrix:
   732.03460    673.38125    626.69235    604.30750    588.48290    570.51401 
   566.76567    482.37577    465.55546    461.45445    441.36492    429.84356 
   421.73613    407.78739    397.50260    388.84573    367.74957    361.94091 
   351.00079    336.63609    325.66459    321.48654    320.11445    313.21593 
   304.20061    288.39238    278.89928    270.71799    266.68545    264.05547 
   259.28711    253.87224    242.36063    238.00778    235.33939    228.58752 
   220.63835    213.59018    212.16886    207.50449    203.51309    197.65100 
   195.34486    191.55425    184.50841    175.34320    171.71502    167.55216 
   165.18272    159.23521    153.84940    151.21439    148.82853    143.21531 
   137.05888    135.74042    130.70635    127.95301    126.06955    125.59099 
   119.69758    118.04810    116.98208    111.16732    108.09053    104.82975 
   103.07005     99.81285     96.05178     94.98078     92.63497     90.41913 
    89.79900     84.92187     80.91676     79.75437     78.32221     72.75356 
    72.10495     68.29132     66.86137     63.27395     60.35878     59.71290 
    59.05320     56.02225     52.86729     52.26821     50.10563     47.64004 
    42.91187     40.32975     37.31838     36.08348     34.89427     28.82560 
    28.68085     27.68546     22.94930     21.52580     20.29053     16.82193 
    13.78163     12.25616      9.86193      9.10751      7.27372      4.33796 
overlap for current and previous eigenvector    109 is        -0.9999995953
overlap for current and previous eigenvector    110 is        -0.9999994640
overlap for current and previous eigenvector    111 is        -0.9999938114
overlap for current and previous eigenvector    112 is         0.9999880398
overlap for current and previous eigenvector    113 is         0.9999940765
overlap for current and previous eigenvector    114 is         0.9999997095
J1,K1,R1,R2,RAT=   7   7   -0.8615397077E-02     2.008445597        0.9913846029    
FOB,PFOB,DIAG,PSTEP=   -0.3586384960E-05   -0.3555748177E-05     732.0346008        0.4857762299E-08
J1,K1,R1,R2,RAT=   8   8    0.3647273148E-03     1.999607090        0.9996070903    
FOB,PFOB,DIAG,PSTEP=   -0.4289913049E-05   -0.4291478290E-05     673.3812477        0.6373118910E-08
J1,K1,R1,R2,RAT=   9   9    0.1939613591         1.805999150        0.8059991504    
FOB,PFOB,DIAG,PSTEP=    0.7308055593E-07    0.9066674905E-07     626.6923451       -0.1446779110E-09
J1,K1,R1,R2,RAT=  10  10   -0.1482276899E-01     2.014842612        0.9851772310    
FOB,PFOB,DIAG,PSTEP=    0.1913678401E-05    0.1885726983E-05     604.3075028       -0.3120444914E-08
J1,K1,R1,R2,RAT=  11  11   -0.5204770519E-03     2.000553011        0.9994795229    
FOB,PFOB,DIAG,PSTEP=   -0.1343173876E-05   -0.1342475160E-05     588.4828989        0.2281210422E-08
J1,K1,R1,R2,RAT= 109 109     2.002252264       -0.2299174705E-02    0.9977008253    
FOB,PFOB,DIAG,PSTEP=   -0.7469574709E-04    0.7452439846E-04     13.78162913       -0.5407644175E-05
J1,K1,R1,R2,RAT= 110 110     77.68435621       -0.5157896318        0.4842103682    
FOB,PFOB,DIAG,PSTEP=   -0.4792166538E-02    0.4728950548E-02     12.25615755       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     84.74114975        0.2465671966        0.7534328034    
FOB,PFOB,DIAG,PSTEP=   -0.4166397917E-02    0.4190714199E-02     9.861929111       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6672781583         100.7787331        0.3327218417    
FOB,PFOB,DIAG,PSTEP=    0.5035365111E-02    0.4969123193E-02     9.107506468       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8937163345         388.8240376        0.1062836655    
FOB,PFOB,DIAG,PSTEP=    0.1922002717E-01    0.1913187490E-01     7.273718569       -0.1356055013E-04
J1,K1,R1,R2,RAT= 114 114    0.9951918324        -707.7705075        0.4808167649E-02
FOB,PFOB,DIAG,PSTEP=    0.6149190652        0.6131922254         4.337957281        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00001      0.00000     -0.00001     -0.00002 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002      0.00003      0.00002     -0.00002      0.00001     -0.00002 
    -0.00001      0.00001      0.00001      0.00002     -0.00000     -0.00005 
     0.00003      0.00003     -0.00006     -0.00002      0.00006     -0.00000 
     0.00001      0.00002     -0.00002      0.00000     -0.00002     -0.00004 
    -0.00004      0.00000     -0.00004     -0.00000     -0.00005      0.00003 
    -0.00000     -0.00006      0.00003      0.00004     -0.00003     -0.00001 
     0.00004     -0.00004     -0.00012     -0.00011      0.00002     -0.00010 
     0.00001      0.00008      0.00005     -0.00001     -0.00012     -0.00001 
    -0.00007     -0.00479     -0.00417      0.00504      0.01922      0.61492 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4290401895
 Log product of positive Hessian eigenvalues =          519.9001819530
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3379572812
 Unscaled step for mode    7=        0.0000000049
 Unscaled step for mode    8=        0.0000000064
 Unscaled step for mode    9=       -0.0000000001
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000021
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000052
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000119
 Unscaled step for mode   17=       -0.0000000095
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000362
 Unscaled step for mode   20=       -0.0000000197
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000162
 Unscaled step for mode   23=       -0.0000000005
 Unscaled step for mode   24=        0.0000000028
 Unscaled step for mode   25=        0.0000000534
 Unscaled step for mode   26=        0.0000000922
 Unscaled step for mode   27=        0.0000000480
 Unscaled step for mode   28=       -0.0000000360
 Unscaled step for mode   29=       -0.0000000201
 Unscaled step for mode   30=        0.0000000776
 Unscaled step for mode   31=        0.0000000413
 Unscaled step for mode   32=        0.0000000189
 Unscaled step for mode   33=       -0.0000000391
 Unscaled step for mode   34=       -0.0000000329
 Unscaled step for mode   35=       -0.0000000882
 Unscaled step for mode   36=       -0.0000000589
 Unscaled step for mode   37=        0.0000000640
 Unscaled step for mode   38=        0.0000000076
 Unscaled step for mode   39=        0.0000000757
 Unscaled step for mode   40=        0.0000000245
 Unscaled step for mode   41=        0.0000001500
 Unscaled step for mode   42=        0.0000000452
 Unscaled step for mode   43=        0.0000000548
 Unscaled step for mode   44=        0.0000001019
 Unscaled step for mode   45=       -0.0000000045
 Unscaled step for mode   46=       -0.0000001035
 Unscaled step for mode   47=        0.0000001444
 Unscaled step for mode   48=       -0.0000000203
 Unscaled step for mode   49=        0.0000001157
 Unscaled step for mode   50=       -0.0000000491
 Unscaled step for mode   51=        0.0000000801
 Unscaled step for mode   52=       -0.0000000145
 Unscaled step for mode   53=        0.0000000693
 Unscaled step for mode   54=        0.0000000908
 Unscaled step for mode   55=        0.0000001192
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=       -0.0000000565
 Unscaled step for mode   58=        0.0000001492
 Unscaled step for mode   59=       -0.0000000022
 Unscaled step for mode   60=       -0.0000001456
 Unscaled step for mode   61=        0.0000001755
 Unscaled step for mode   62=       -0.0000002262
 Unscaled step for mode   63=       -0.0000001749
 Unscaled step for mode   64=        0.0000001737
 Unscaled step for mode   65=       -0.0000001005
 Unscaled step for mode   66=        0.0000001916
 Unscaled step for mode   67=        0.0000000488
 Unscaled step for mode   68=       -0.0000000754
 Unscaled step for mode   69=       -0.0000000429
 Unscaled step for mode   70=       -0.0000002145
 Unscaled step for mode   71=        0.0000000462
 Unscaled step for mode   72=        0.0000004994
 Unscaled step for mode   73=       -0.0000002495
 Unscaled step for mode   74=       -0.0000002948
 Unscaled step for mode   75=        0.0000006717
 Unscaled step for mode   76=        0.0000001793
 Unscaled step for mode   77=       -0.0000006601
 Unscaled step for mode   78=        0.0000000004
 Unscaled step for mode   79=       -0.0000001324
 Unscaled step for mode   80=       -0.0000002466
 Unscaled step for mode   81=        0.0000002546
 Unscaled step for mode   82=       -0.0000000159
 Unscaled step for mode   83=        0.0000001960
 Unscaled step for mode   84=        0.0000004990
 Unscaled step for mode   85=        0.0000006011
 Unscaled step for mode   86=       -0.0000000282
 Unscaled step for mode   87=        0.0000006267
 Unscaled step for mode   88=        0.0000000534
 Unscaled step for mode   89=        0.0000008652
 Unscaled step for mode   90=       -0.0000005065
 Unscaled step for mode   91=        0.0000000422
 Unscaled step for mode   92=        0.0000010754
 Unscaled step for mode   93=       -0.0000006071
 Unscaled step for mode   94=       -0.0000008448
 Unscaled step for mode   95=        0.0000005200
 Unscaled step for mode   96=        0.0000001881
 Unscaled step for mode   97=       -0.0000009405
 Unscaled step for mode   98=        0.0000009722
 Unscaled step for mode   99=        0.0000031589
 Unscaled step for mode  100=        0.0000029117
 Unscaled step for mode  101=       -0.0000004531
 Unscaled step for mode  102=        0.0000033471
 Unscaled step for mode  103=       -0.0000003010
 Unscaled step for mode  104=       -0.0000027764
 Unscaled step for mode  105=       -0.0000023422
 Unscaled step for mode  106=        0.0000005301
 Unscaled step for mode  107=        0.0000057513
 Unscaled step for mode  108=        0.0000006338
 Unscaled step for mode  109=        0.0000054200
 Unscaled step for mode  110=        0.0003910007
 Unscaled step for mode  111=        0.0004224728
 Unscaled step for mode  112=       -0.0005528806
 Unscaled step for mode  113=       -0.0026423751
 Unscaled step for mode  114=        0.1390137842
 Largest modulus ratio of non-zero e/values=           168.7509935    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.897719E-16    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.534945E-15    0.100717E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.421772E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.584397E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.810116E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.100308E-14    0.973860E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.358638E-05    0.732035E+03  0.489920E-08 0.100000E-04    0.991385E+00
   8   -0.428991E-05    0.673381E+03  0.637070E-08 0.100000E-04    0.999607E+00
   9    0.730806E-07    0.626692E+03 -0.116613E-09 0.100000E-04    0.805999E+00
  10    0.191368E-05    0.604308E+03 -0.316673E-08 0.100000E-04    0.985177E+00
  11   -0.134317E-05    0.588483E+03  0.228243E-08 0.100000E-04    0.999480E+00
  12   -0.120611E-05    0.570514E+03  0.211407E-08 0.100000E-04    0.975970E+00
  13   -0.341100E-05    0.566766E+03  0.601837E-08 0.100000E-04    0.994074E+00
  14   -0.248756E-05    0.482376E+03  0.515688E-08 0.100000E-04    0.989527E+00
  15    0.179083E-05    0.465555E+03 -0.384664E-08 0.100000E-04    0.987849E+00
  16    0.549506E-05    0.461454E+03 -0.119081E-07 0.100000E-04    0.994067E+00
  17    0.419508E-05    0.441365E+03 -0.950478E-08 0.100000E-04    0.993437E+00
  18    0.494895E-05    0.429844E+03 -0.115134E-07 0.100000E-04    0.997070E+00
  19   -0.152690E-04    0.421736E+03  0.362051E-07 0.100000E-04    0.996566E+00
  20    0.802948E-05    0.407787E+03 -0.196904E-07 0.100000E-04    0.998940E+00
  21    0.726691E-05    0.397503E+03 -0.182814E-07 0.100000E-04    0.999538E+00
  22   -0.631460E-05    0.388846E+03  0.162393E-07 0.100000E-04    0.990534E+00
  23    0.179110E-06    0.367750E+03 -0.487042E-09 0.100000E-04    0.988924E+00
  24   -0.103145E-05    0.361941E+03  0.284979E-08 0.100000E-04    0.960025E+00
  25   -0.187468E-04    0.351001E+03  0.534096E-07 0.100000E-04    0.997794E+00
  26   -0.310310E-04    0.336636E+03  0.921797E-07 0.100000E-04    0.997083E+00
  27   -0.156351E-04    0.325665E+03  0.480097E-07 0.100000E-04    0.998344E+00
  28    0.115871E-04    0.321487E+03 -0.360421E-07 0.100000E-04    0.990334E+00
  29    0.644943E-05    0.320114E+03 -0.201473E-07 0.100000E-04    0.978100E+00
  30   -0.243165E-04    0.313216E+03  0.776349E-07 0.100000E-04    0.999994E+00
  31   -0.125689E-04    0.304201E+03  0.413177E-07 0.100000E-04    0.995979E+00
  32   -0.545699E-05    0.288392E+03  0.189221E-07 0.100000E-04    0.989820E+00
  33    0.109177E-04    0.278899E+03 -0.391455E-07 0.100000E-04    0.993286E+00
  34    0.890706E-05    0.270718E+03 -0.329016E-07 0.100000E-04    0.990494E+00
  35    0.235185E-04    0.266685E+03 -0.881882E-07 0.100000E-04    0.999741E+00
  36    0.155435E-04    0.264055E+03 -0.588645E-07 0.100000E-04    0.994297E+00
  37   -0.166056E-04    0.259287E+03  0.640433E-07 0.100000E-04    0.996404E+00
  38   -0.192271E-05    0.253872E+03  0.757352E-08 0.100000E-04    0.976926E+00
  39   -0.183501E-04    0.242361E+03  0.757141E-07 0.100000E-04    0.997248E+00
  40   -0.583945E-05    0.238008E+03  0.245347E-07 0.100000E-04    0.957949E+00
  41   -0.353013E-04    0.235339E+03  0.150002E-06 0.100000E-04    0.996141E+00
  42   -0.103224E-04    0.228588E+03  0.451573E-07 0.100000E-04    0.994280E+00
  43   -0.121003E-04    0.220638E+03  0.548421E-07 0.100000E-04    0.995852E+00
  44   -0.217636E-04    0.213590E+03  0.101894E-06 0.100000E-04    0.995506E+00
  45    0.956171E-06    0.212169E+03 -0.450665E-08 0.100000E-04    0.943779E+00
  46    0.214719E-04    0.207504E+03 -0.103477E-06 0.100000E-04    0.995531E+00
  47   -0.293913E-04    0.203513E+03  0.144419E-06 0.100000E-04    0.999650E+00
  48    0.401314E-05    0.197651E+03 -0.203042E-07 0.100000E-04    0.992962E+00
  49   -0.226033E-04    0.195345E+03  0.115710E-06 0.100000E-04    0.998348E+00
  50    0.940492E-05    0.191554E+03 -0.490980E-07 0.100000E-04    0.989865E+00
  51   -0.147722E-04    0.184508E+03  0.800623E-07 0.100000E-04    0.999506E+00
  52    0.253441E-05    0.175343E+03 -0.144540E-07 0.100000E-04    0.994767E+00
  53   -0.118938E-04    0.171715E+03  0.692647E-07 0.100000E-04    0.997394E+00
  54   -0.152150E-04    0.167552E+03  0.908074E-07 0.100000E-04    0.996788E+00
  55   -0.196856E-04    0.165183E+03  0.119174E-06 0.100000E-04    0.998983E+00
  56    0.593830E-05    0.159235E+03 -0.372926E-07 0.100000E-04    0.991450E+00
  57    0.868809E-05    0.153849E+03 -0.564714E-07 0.100000E-04    0.994360E+00
  58   -0.225646E-04    0.151214E+03  0.149223E-06 0.100000E-04    0.997349E+00
  59    0.330716E-06    0.148829E+03 -0.222213E-08 0.100000E-04    0.758271E+00
  60    0.208542E-04    0.143215E+03 -0.145614E-06 0.100000E-04    0.999362E+00
  61   -0.240577E-04    0.137059E+03  0.175528E-06 0.100000E-04    0.992166E+00
  62    0.307073E-04    0.135740E+03 -0.226221E-06 0.100000E-04    0.999632E+00
  63    0.228647E-04    0.130706E+03 -0.174932E-06 0.100000E-04    0.996218E+00
  64   -0.222317E-04    0.127953E+03  0.173749E-06 0.100000E-04    0.994070E+00
  65    0.126688E-04    0.126070E+03 -0.100491E-06 0.100000E-04    0.978688E+00
  66   -0.240660E-04    0.125591E+03  0.191622E-06 0.100000E-04    0.998439E+00
  67   -0.584275E-05    0.119698E+03  0.488126E-07 0.100000E-04    0.996716E+00
  68    0.889515E-05    0.118048E+03 -0.753519E-07 0.100000E-04    0.997799E+00
  69    0.502359E-05    0.116982E+03 -0.429433E-07 0.100000E-04    0.988606E+00
  70    0.238499E-04    0.111167E+03 -0.214541E-06 0.100000E-04    0.999195E+00
  71   -0.499184E-05    0.108091E+03  0.461820E-07 0.100000E-04    0.993482E+00
  72   -0.523540E-04    0.104830E+03  0.499419E-06 0.100000E-04    0.993979E+00
  73    0.257152E-04    0.103070E+03 -0.249492E-06 0.100000E-04    0.997235E+00
  74    0.294255E-04    0.998129E+02 -0.294807E-06 0.100000E-04    0.998284E+00
  75   -0.645165E-04    0.960518E+02  0.671684E-06 0.100000E-04    0.994477E+00
  76   -0.170260E-04    0.949808E+02  0.179258E-06 0.100000E-04    0.974672E+00
  77    0.611463E-04    0.926350E+02 -0.660078E-06 0.100000E-04    0.998196E+00
  78   -0.350183E-07    0.904191E+02  0.387289E-09 0.100000E-04    0.462185E+00
  79    0.118907E-04    0.897990E+02 -0.132415E-06 0.100000E-04    0.998757E+00
  80    0.209404E-04    0.849219E+02 -0.246585E-06 0.100000E-04    0.999502E+00
  81   -0.205993E-04    0.809168E+02  0.254573E-06 0.100000E-04    0.996429E+00
  82    0.126769E-05    0.797544E+02 -0.158949E-07 0.100000E-04    0.944626E+00
  83   -0.153493E-04    0.783222E+02  0.195977E-06 0.100000E-04    0.994655E+00
  84   -0.363041E-04    0.727536E+02  0.499001E-06 0.100000E-04    0.993372E+00
  85   -0.433401E-04    0.721049E+02  0.601070E-06 0.100000E-04    0.996357E+00
  86    0.192858E-05    0.682913E+02 -0.282405E-07 0.100000E-04    0.900124E+00
  87   -0.419049E-04    0.668614E+02  0.626743E-06 0.100000E-04    0.999288E+00
  88   -0.338033E-05    0.632739E+02  0.534237E-07 0.100000E-04    0.974793E+00
  89   -0.522201E-04    0.603588E+02  0.865162E-06 0.100000E-04    0.999479E+00
  90    0.302455E-04    0.597129E+02 -0.506516E-06 0.100000E-04    0.987168E+00
  91   -0.248973E-05    0.590532E+02  0.421608E-07 0.100000E-04    0.948805E+00
  92   -0.602470E-04    0.560223E+02  0.107541E-05 0.100000E-04    0.999242E+00
  93    0.320945E-04    0.528673E+02 -0.607077E-06 0.100000E-04    0.999010E+00
  94    0.441580E-04    0.522682E+02 -0.844834E-06 0.100000E-04    0.994383E+00
  95   -0.260542E-04    0.501056E+02  0.519986E-06 0.100000E-04    0.997874E+00
  96   -0.895934E-05    0.476400E+02  0.188063E-06 0.100000E-04    0.985596E+00
  97    0.403577E-04    0.429119E+02 -0.940479E-06 0.100000E-04    0.994277E+00
  98   -0.392099E-04    0.403297E+02  0.972232E-06 0.100000E-04    0.994742E+00
  99   -0.117884E-03    0.373184E+02  0.315887E-05 0.100000E-04    0.995774E+00
 100   -0.105064E-03    0.360835E+02  0.291169E-05 0.100000E-04    0.996960E+00
 101    0.158101E-04    0.348943E+02 -0.453085E-06 0.100000E-04    0.973695E+00
 102   -0.964811E-04    0.288256E+02  0.334706E-05 0.100000E-04    0.996408E+00
 103    0.863368E-05    0.286808E+02 -0.301026E-06 0.100000E-04    0.946204E+00
 104    0.768661E-04    0.276855E+02 -0.277641E-05 0.100000E-04    0.988334E+00
 105    0.537524E-04    0.229493E+02 -0.234222E-05 0.100000E-04    0.999085E+00
 106   -0.114115E-04    0.215258E+02  0.530130E-06 0.100000E-04    0.910166E+00
 107   -0.116697E-03    0.202905E+02  0.575131E-05 0.100000E-04    0.993933E+00
 108   -0.106622E-04    0.168219E+02  0.633829E-06 0.100000E-04    0.946820E+00
 109   -0.746957E-04    0.137816E+02  0.541995E-05 0.100000E-04    0.997701E+00
 110   -0.479217E-02    0.122562E+02  0.100000E-04 0.100000E-04    0.484210E+00
 111   -0.416640E-02    0.986193E+01  0.100000E-04 0.100000E-04    0.753433E+00
 112    0.503537E-02    0.910751E+01 -0.100000E-04 0.100000E-04    0.332722E+00
 113    0.192200E-01    0.727372E+01 -0.147810E-04 0.147810E-04    0.106284E+00
 114    0.614919E+00    0.433796E+01  0.400000E-03 0.400000E-03    0.480817E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1390137842    

 Beginning of optimization cycle  308.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3620354639
 potential> RMS force:                                               0.0577873690   |gradient|=.6170002603    
 Eigenvalues of the Hessian matrix:
   732.09677    673.39057    626.70464    604.30162    588.47320    570.55690 
   566.77323    482.40048    465.53216    461.44728    441.36592    429.83578 
   421.74086    407.79581    397.49758    388.84533    367.75618    361.93196 
   350.99349    336.61392    325.67594    321.48477    320.12198    313.18994 
   304.19008    288.40078    278.89399    270.71908    266.69428    264.06361 
   259.30005    253.87431    242.35626    238.01781    235.32813    228.58452 
   220.61775    213.59802    212.17452    207.49727    203.51517    197.64513 
   195.34190    191.55314    184.49824    175.33154    171.72097    167.55167 
   165.17660    159.22535    153.85423    151.21932    148.82152    143.21771 
   137.06085    135.74410    130.70465    127.95721    126.07066    125.59108 
   119.69945    118.04904    116.98384    111.16114    108.08129    104.82666 
   103.07096     99.81121     96.04444     94.97583     92.64771     90.42174 
    89.79647     84.92470     80.91670     79.75688     78.32090     72.75468 
    72.10954     68.29101     66.84874     63.27145     60.34937     59.71371 
    59.05410     56.02301     52.86354     52.26903     50.10429     47.63622 
    42.91036     40.33222     37.32262     36.08722     34.88268     28.82509 
    28.67974     27.67723     22.95064     21.51998     20.29533     16.82170 
    13.78195     12.25575      9.86310      9.09942      7.26847      4.33343 
overlap for current and previous eigenvector    109 is         0.9999995947
overlap for current and previous eigenvector    110 is         0.9999994645
overlap for current and previous eigenvector    111 is         0.9999940778
overlap for current and previous eigenvector    112 is         0.9999882513
overlap for current and previous eigenvector    113 is         0.9999940221
overlap for current and previous eigenvector    114 is         0.9999997109
J1,K1,R1,R2,RAT=   7   7   -0.7151364503E-02     2.006981536        0.9928486355    
FOB,PFOB,DIAG,PSTEP=   -0.3612034684E-05   -0.3586384960E-05     732.0967664        0.4899201426E-08
J1,K1,R1,R2,RAT=   8   8   -0.8580460644E-02     2.008552766        0.9914195394    
FOB,PFOB,DIAG,PSTEP=   -0.4326722988E-05   -0.4289913049E-05     673.3905722        0.6370704654E-08
J1,K1,R1,R2,RAT=   9   9   -0.8649105872E-02     2.008609871        0.9913508941    
FOB,PFOB,DIAG,PSTEP=    0.7371264980E-07    0.7308055593E-07     626.7046396       -0.1166131300E-09
J1,K1,R1,R2,RAT=  10  10    0.7652977573E-02     1.992366500        0.9923470224    
FOB,PFOB,DIAG,PSTEP=    0.1899033206E-05    0.1913678401E-05     604.3016176       -0.3166729508E-08
J1,K1,R1,R2,RAT=  11  11   -0.7659191690E-02     2.007692158        0.9923408083    
FOB,PFOB,DIAG,PSTEP=   -0.1353461332E-05   -0.1343173876E-05     588.4731990        0.2282434848E-08
J1,K1,R1,R2,RAT= 109 109    0.5043312690E-02     1.994909811        0.9949098108    
FOB,PFOB,DIAG,PSTEP=   -0.7431902426E-04   -0.7469574709E-04     13.78195216        0.5419950456E-05
J1,K1,R1,R2,RAT= 110 110   -0.5124041375         78.71514747        0.4875958625    
FOB,PFOB,DIAG,PSTEP=   -0.4854965510E-02   -0.4792166538E-02     12.25575046        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2540012789         84.23054770        0.7459987211    
FOB,PFOB,DIAG,PSTEP=   -0.4141345516E-02   -0.4166397917E-02     9.863100335        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8149886025         111.4894581        0.1850113975    
FOB,PFOB,DIAG,PSTEP=    0.5109524313E-02    0.5035365111E-02     9.099415852       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7434458977         358.5409343        0.2565541023    
FOB,PFOB,DIAG,PSTEP=    0.1929989945E-01    0.1922002717E-01     7.268468268       -0.1478099964E-04
J1,K1,R1,R2,RAT= 114 114    0.9951657594        -710.5006441        0.4834240594E-02
FOB,PFOB,DIAG,PSTEP=    0.6166440594        0.6149190652         4.333434230        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00001      0.00000     -0.00001     -0.00002 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002     -0.00003      0.00002     -0.00002     -0.00001     -0.00002 
    -0.00001      0.00001     -0.00001     -0.00002     -0.00001      0.00005 
    -0.00003     -0.00003      0.00006      0.00002      0.00006     -0.00000 
    -0.00001      0.00002      0.00002     -0.00000      0.00002      0.00004 
     0.00004     -0.00000      0.00004      0.00000     -0.00005     -0.00003 
     0.00000      0.00006     -0.00003     -0.00004      0.00003     -0.00001 
     0.00004     -0.00004     -0.00012      0.00010      0.00002     -0.00010 
     0.00001      0.00008      0.00005     -0.00001     -0.00012     -0.00001 
    -0.00007     -0.00485     -0.00414      0.00511      0.01930      0.61664 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4289106091
 Log product of positive Hessian eigenvalues =          519.8966126983
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3334342302
 Unscaled step for mode    7=        0.0000000049
 Unscaled step for mode    8=        0.0000000064
 Unscaled step for mode    9=       -0.0000000001
 Unscaled step for mode   10=       -0.0000000031
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000022
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000051
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000119
 Unscaled step for mode   17=       -0.0000000095
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000363
 Unscaled step for mode   20=       -0.0000000196
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000163
 Unscaled step for mode   23=       -0.0000000005
 Unscaled step for mode   24=        0.0000000029
 Unscaled step for mode   25=        0.0000000536
 Unscaled step for mode   26=        0.0000000924
 Unscaled step for mode   27=        0.0000000482
 Unscaled step for mode   28=       -0.0000000364
 Unscaled step for mode   29=       -0.0000000204
 Unscaled step for mode   30=        0.0000000778
 Unscaled step for mode   31=        0.0000000417
 Unscaled step for mode   32=        0.0000000190
 Unscaled step for mode   33=       -0.0000000392
 Unscaled step for mode   34=       -0.0000000330
 Unscaled step for mode   35=       -0.0000000883
 Unscaled step for mode   36=       -0.0000000591
 Unscaled step for mode   37=        0.0000000643
 Unscaled step for mode   38=        0.0000000075
 Unscaled step for mode   39=        0.0000000758
 Unscaled step for mode   40=        0.0000000253
 Unscaled step for mode   41=        0.0000001505
 Unscaled step for mode   42=        0.0000000454
 Unscaled step for mode   43=        0.0000000553
 Unscaled step for mode   44=        0.0000001025
 Unscaled step for mode   45=       -0.0000000042
 Unscaled step for mode   46=       -0.0000001040
 Unscaled step for mode   47=        0.0000001446
 Unscaled step for mode   48=       -0.0000000205
 Unscaled step for mode   49=        0.0000001163
 Unscaled step for mode   50=       -0.0000000488
 Unscaled step for mode   51=        0.0000000805
 Unscaled step for mode   52=       -0.0000000147
 Unscaled step for mode   53=        0.0000000695
 Unscaled step for mode   54=        0.0000000915
 Unscaled step for mode   55=        0.0000001193
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000569
 Unscaled step for mode   58=        0.0000001496
 Unscaled step for mode   59=       -0.0000000021
 Unscaled step for mode   60=       -0.0000001463
 Unscaled step for mode   61=        0.0000001762
 Unscaled step for mode   62=        0.0000002258
 Unscaled step for mode   63=       -0.0000001746
 Unscaled step for mode   64=        0.0000001750
 Unscaled step for mode   65=        0.0000001023
 Unscaled step for mode   66=        0.0000001905
 Unscaled step for mode   67=        0.0000000493
 Unscaled step for mode   68=       -0.0000000755
 Unscaled step for mode   69=        0.0000000430
 Unscaled step for mode   70=        0.0000002157
 Unscaled step for mode   71=        0.0000000463
 Unscaled step for mode   72=       -0.0000005007
 Unscaled step for mode   73=        0.0000002504
 Unscaled step for mode   74=        0.0000002940
 Unscaled step for mode   75=       -0.0000006757
 Unscaled step for mode   76=       -0.0000001752
 Unscaled step for mode   77=       -0.0000006596
 Unscaled step for mode   78=        0.0000000014
 Unscaled step for mode   79=        0.0000001303
 Unscaled step for mode   80=       -0.0000002476
 Unscaled step for mode   81=       -0.0000002550
 Unscaled step for mode   82=        0.0000000135
 Unscaled step for mode   83=       -0.0000001975
 Unscaled step for mode   84=       -0.0000005001
 Unscaled step for mode   85=       -0.0000006003
 Unscaled step for mode   86=        0.0000000245
 Unscaled step for mode   87=       -0.0000006284
 Unscaled step for mode   88=       -0.0000000540
 Unscaled step for mode   89=        0.0000008663
 Unscaled step for mode   90=        0.0000005086
 Unscaled step for mode   91=       -0.0000000437
 Unscaled step for mode   92=       -0.0000010783
 Unscaled step for mode   93=        0.0000006028
 Unscaled step for mode   94=        0.0000008456
 Unscaled step for mode   95=       -0.0000005149
 Unscaled step for mode   96=        0.0000001877
 Unscaled step for mode   97=       -0.0000009399
 Unscaled step for mode   98=        0.0000009759
 Unscaled step for mode   99=        0.0000031602
 Unscaled step for mode  100=       -0.0000029074
 Unscaled step for mode  101=       -0.0000004555
 Unscaled step for mode  102=        0.0000033466
 Unscaled step for mode  103=       -0.0000003174
 Unscaled step for mode  104=       -0.0000027743
 Unscaled step for mode  105=       -0.0000023555
 Unscaled step for mode  106=        0.0000005079
 Unscaled step for mode  107=        0.0000057629
 Unscaled step for mode  108=        0.0000006167
 Unscaled step for mode  109=        0.0000053925
 Unscaled step for mode  110=        0.0003961377
 Unscaled step for mode  111=        0.0004198827
 Unscaled step for mode  112=       -0.0005615221
 Unscaled step for mode  113=       -0.0026552724
 Unscaled step for mode  114=        0.1395288396
 Largest modulus ratio of non-zero e/values=           168.9414740    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.389012E-15    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.106339E-14    0.100717E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.602816E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.151571E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.202149E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.400802E-15    0.973862E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.361203E-05    0.732097E+03  0.493382E-08 0.100000E-04    0.992849E+00
   8   -0.432672E-05    0.673391E+03  0.642528E-08 0.100000E-04    0.991420E+00
   9    0.737126E-07    0.626705E+03 -0.117619E-09 0.100000E-04    0.991351E+00
  10    0.189903E-05    0.604302E+03 -0.314253E-08 0.100000E-04    0.992347E+00
  11   -0.135346E-05    0.588473E+03  0.229995E-08 0.100000E-04    0.992341E+00
  12   -0.124858E-05    0.570557E+03  0.218836E-08 0.100000E-04    0.964785E+00
  13   -0.344029E-05    0.566773E+03  0.606996E-08 0.100000E-04    0.991415E+00
  14   -0.244357E-05    0.482400E+03  0.506544E-08 0.100000E-04    0.982217E+00
  15    0.181331E-05    0.465532E+03 -0.389514E-08 0.100000E-04    0.987444E+00
  16    0.550977E-05    0.461447E+03 -0.119402E-07 0.100000E-04    0.997322E+00
  17    0.419766E-05    0.441366E+03 -0.951062E-08 0.100000E-04    0.999383E+00
  18    0.497162E-05    0.429836E+03 -0.115663E-07 0.100000E-04    0.995419E+00
  19   -0.153031E-04    0.421741E+03  0.362855E-07 0.100000E-04    0.997768E+00
  20    0.800871E-05    0.407796E+03 -0.196390E-07 0.100000E-04    0.997372E+00
  21    0.726018E-05    0.397498E+03 -0.182647E-07 0.100000E-04    0.999075E+00
  22   -0.633563E-05    0.388845E+03  0.162934E-07 0.100000E-04    0.996670E+00
  23    0.194441E-06    0.367756E+03 -0.528722E-09 0.100000E-04    0.914406E+00
  24   -0.104705E-05    0.361932E+03  0.289295E-08 0.100000E-04    0.984878E+00
  25   -0.188070E-04    0.350993E+03  0.535821E-07 0.100000E-04    0.996790E+00
  26   -0.310896E-04    0.336614E+03  0.923598E-07 0.100000E-04    0.998112E+00
  27   -0.156846E-04    0.325676E+03  0.481603E-07 0.100000E-04    0.996830E+00
  28    0.116871E-04    0.321485E+03 -0.363536E-07 0.100000E-04    0.991364E+00
  29    0.653937E-05    0.320122E+03 -0.204277E-07 0.100000E-04    0.986055E+00
  30   -0.243619E-04    0.313190E+03  0.777863E-07 0.100000E-04    0.998133E+00
  31   -0.126717E-04    0.304190E+03  0.416573E-07 0.100000E-04    0.991816E+00
  32   -0.546677E-05    0.288401E+03  0.189555E-07 0.100000E-04    0.998208E+00
  33    0.109243E-04    0.278894E+03 -0.391701E-07 0.100000E-04    0.999393E+00
  34    0.894584E-05    0.270719E+03 -0.330447E-07 0.100000E-04    0.995647E+00
  35    0.235505E-04    0.266694E+03 -0.883051E-07 0.100000E-04    0.998641E+00
  36    0.156137E-04    0.264064E+03 -0.591285E-07 0.100000E-04    0.995484E+00
  37   -0.166668E-04    0.259300E+03  0.642760E-07 0.100000E-04    0.996317E+00
  38   -0.189412E-05    0.253874E+03  0.746086E-08 0.100000E-04    0.985116E+00
  39   -0.183785E-04    0.242356E+03  0.758325E-07 0.100000E-04    0.998454E+00
  40   -0.602958E-05    0.238018E+03  0.253325E-07 0.100000E-04    0.967441E+00
  41   -0.354247E-04    0.235328E+03  0.150533E-06 0.100000E-04    0.996504E+00
  42   -0.103714E-04    0.228585E+03  0.453721E-07 0.100000E-04    0.995258E+00
  43   -0.121995E-04    0.220618E+03  0.552968E-07 0.100000E-04    0.991801E+00
  44   -0.218961E-04    0.213598E+03  0.102511E-06 0.100000E-04    0.993916E+00
  45    0.893785E-06    0.212175E+03 -0.421250E-08 0.100000E-04    0.934702E+00
  46    0.215842E-04    0.207497E+03 -0.104022E-06 0.100000E-04    0.994770E+00
  47   -0.294285E-04    0.203515E+03  0.144601E-06 0.100000E-04    0.998732E+00
  48    0.405113E-05    0.197645E+03 -0.204970E-07 0.100000E-04    0.990534E+00
  49   -0.227157E-04    0.195342E+03  0.116287E-06 0.100000E-04    0.995026E+00
  50    0.934424E-05    0.191553E+03 -0.487815E-07 0.100000E-04    0.993548E+00
  51   -0.148579E-04    0.184498E+03  0.805313E-07 0.100000E-04    0.994197E+00
  52    0.257658E-05    0.175332E+03 -0.146955E-07 0.100000E-04    0.983358E+00
  53   -0.119404E-04    0.171721E+03  0.695338E-07 0.100000E-04    0.996080E+00
  54   -0.153293E-04    0.167552E+03  0.914898E-07 0.100000E-04    0.992489E+00
  55   -0.197061E-04    0.165177E+03  0.119303E-06 0.100000E-04    0.998958E+00
  56    0.588786E-05    0.159225E+03 -0.369781E-07 0.100000E-04    0.991505E+00
  57    0.875834E-05    0.153854E+03 -0.569262E-07 0.100000E-04    0.991914E+00
  58   -0.226183E-04    0.151219E+03  0.149573E-06 0.100000E-04    0.997620E+00
  59    0.308564E-06    0.148822E+03 -0.207339E-08 0.100000E-04    0.933016E+00
  60    0.209485E-04    0.143218E+03 -0.146271E-06 0.100000E-04    0.995477E+00
  61   -0.241479E-04    0.137061E+03  0.176184E-06 0.100000E-04    0.996249E+00
  62   -0.306545E-04    0.135744E+03  0.225826E-06 0.100000E-04    0.998227E+00
  63    0.228224E-04    0.130705E+03 -0.174611E-06 0.100000E-04    0.998152E+00
  64   -0.223942E-04    0.127957E+03  0.175013E-06 0.100000E-04    0.992690E+00
  65   -0.129011E-04    0.126071E+03  0.102332E-06 0.100000E-04    0.981666E+00
  66   -0.239257E-04    0.125591E+03  0.190505E-06 0.100000E-04    0.994170E+00
  67   -0.590326E-05    0.119699E+03  0.493173E-07 0.100000E-04    0.989644E+00
  68    0.890804E-05    0.118049E+03 -0.754605E-07 0.100000E-04    0.998550E+00
  69   -0.503072E-05    0.116984E+03  0.430036E-07 0.100000E-04    0.998580E+00
  70   -0.239790E-04    0.111161E+03  0.215714E-06 0.100000E-04    0.994588E+00
  71   -0.500900E-05    0.108081E+03  0.463448E-07 0.100000E-04    0.996561E+00
  72    0.524856E-04    0.104827E+03 -0.500689E-06 0.100000E-04    0.997486E+00
  73   -0.258108E-04    0.103071E+03  0.250417E-06 0.100000E-04    0.996284E+00
  74   -0.293493E-04    0.998112E+02  0.294048E-06 0.100000E-04    0.997411E+00
  75    0.648968E-04    0.960444E+02 -0.675696E-06 0.100000E-04    0.994104E+00
  76    0.166443E-04    0.949758E+02 -0.175247E-06 0.100000E-04    0.977576E+00
  77    0.611082E-04    0.926477E+02 -0.659576E-06 0.100000E-04    0.999103E+00
  78   -0.128982E-06    0.904217E+02  0.142644E-08 0.100000E-04    0.168318E+01
  79   -0.117026E-04    0.897965E+02  0.130324E-06 0.100000E-04    0.984181E+00
  80    0.210254E-04    0.849247E+02 -0.247577E-06 0.100000E-04    0.995944E+00
  81    0.206326E-04    0.809167E+02 -0.254986E-06 0.100000E-04    0.998380E+00
  82   -0.107905E-05    0.797569E+02  0.135293E-07 0.100000E-04    0.851140E+00
  83    0.154710E-04    0.783209E+02 -0.197533E-06 0.100000E-04    0.992074E+00
  84    0.363834E-04    0.727547E+02 -0.500084E-06 0.100000E-04    0.997814E+00
  85    0.432880E-04    0.721095E+02 -0.600309E-06 0.100000E-04    0.998671E+00
  86   -0.167293E-05    0.682910E+02  0.244971E-07 0.100000E-04    0.867440E+00
  87    0.420045E-04    0.668487E+02 -0.628351E-06 0.100000E-04    0.997623E+00
  88    0.341673E-05    0.632714E+02 -0.540011E-07 0.100000E-04    0.989231E+00
  89   -0.522829E-04    0.603494E+02  0.866337E-06 0.100000E-04    0.998798E+00
  90   -0.303715E-04    0.597137E+02  0.508619E-06 0.100000E-04    0.995835E+00
  91    0.257894E-05    0.590541E+02 -0.436708E-07 0.100000E-04    0.964170E+00
  92    0.604115E-04    0.560230E+02 -0.107833E-05 0.100000E-04    0.997269E+00
  93   -0.318646E-04    0.528635E+02  0.602771E-06 0.100000E-04    0.992836E+00
  94   -0.441969E-04    0.522690E+02  0.845566E-06 0.100000E-04    0.999119E+00
  95    0.257969E-04    0.501043E+02 -0.514864E-06 0.100000E-04    0.990122E+00
  96   -0.894145E-05    0.476362E+02  0.187703E-06 0.100000E-04    0.998003E+00
  97    0.403329E-04    0.429104E+02 -0.939934E-06 0.100000E-04    0.999384E+00
  98   -0.393589E-04    0.403322E+02  0.975868E-06 0.100000E-04    0.996199E+00
  99   -0.117947E-03    0.373226E+02  0.316019E-05 0.100000E-04    0.999469E+00
 100    0.104920E-03    0.360872E+02 -0.290739E-05 0.100000E-04    0.998419E+00
 101    0.158901E-04    0.348827E+02 -0.455528E-06 0.100000E-04    0.994939E+00
 102   -0.964672E-04    0.288251E+02  0.334664E-05 0.100000E-04    0.999856E+00
 103    0.910225E-05    0.286797E+02 -0.317376E-06 0.100000E-04    0.945726E+00
 104    0.767852E-04    0.276772E+02 -0.277431E-05 0.100000E-04    0.998947E+00
 105    0.540607E-04    0.229506E+02 -0.235552E-05 0.100000E-04    0.994265E+00
 106   -0.109298E-04    0.215200E+02  0.507889E-06 0.100000E-04    0.957775E+00
 107   -0.116959E-03    0.202953E+02  0.576286E-05 0.100000E-04    0.997754E+00
 108   -0.103734E-04    0.168217E+02  0.616667E-06 0.100000E-04    0.972908E+00
 109   -0.743190E-04    0.137820E+02  0.539249E-05 0.100000E-04    0.994910E+00
 110   -0.485497E-02    0.122558E+02  0.100000E-04 0.100000E-04    0.487596E+00
 111   -0.414135E-02    0.986310E+01  0.100000E-04 0.100000E-04    0.745999E+00
 112    0.510952E-02    0.909942E+01 -0.109000E-04 0.109000E-04    0.185011E+00
 113    0.192999E-01    0.726847E+01 -0.133162E-04 0.133162E-04    0.256554E+00
 114    0.616644E+00    0.433343E+01  0.400000E-03 0.400000E-03    0.483424E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1395288396    

 Beginning of optimization cycle  309.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3617888616
 potential> RMS force:                                               0.0579490110   |gradient|=.6187261249    
 Eigenvalues of the Hessian matrix:
   732.15894    673.40003    626.71698    604.29543    588.46362    570.59963 
   566.78074    482.42528    465.50885    461.44010    441.36694    429.82790 
   421.74548    407.80415    397.49254    388.84483    367.76280    361.92302 
   350.98605    336.59181    325.68730    321.48298    320.12938    313.16400 
   304.17942    288.40917    278.88868    270.72019    266.70305    264.07167 
   259.31286    253.87631    242.35180    238.02789    235.31675    228.58142 
   220.59717    213.60579    212.18018    207.49010    203.51720    197.63919 
   195.33888    191.55204    184.48804    175.31990    171.72692    167.55118 
   165.17044    159.21550    153.85904    151.22429    148.81451    143.22015 
   137.06282    135.74774    130.70301    127.96140    126.07184    125.59110 
   119.70133    118.04999    116.98563    111.15498    108.07214    104.82364 
   103.07186     99.80959     96.03719     94.97076     92.66044     90.42440 
    89.79386     84.92754     80.91663     79.75934     78.31961     72.75586 
    72.11418     68.29078     66.83613     63.26893     60.34006     59.71450 
    59.05502     56.02379     52.85986     52.26986     50.10295     47.63243 
    42.90886     40.33472     37.32691     36.09106     34.87113     28.82460 
    28.67862     27.66902     22.95197     21.51413     20.30017     16.82146 
    13.78228     12.25535      9.86428      9.09140      7.26318      4.32890 
overlap for current and previous eigenvector    109 is        -0.9999996008
overlap for current and previous eigenvector    110 is         0.9999994685
overlap for current and previous eigenvector    111 is        -0.9999944568
overlap for current and previous eigenvector    112 is         0.9999886384
overlap for current and previous eigenvector    113 is        -0.9999940302
overlap for current and previous eigenvector    114 is        -0.9999997116
J1,K1,R1,R2,RAT=   7   7   -0.8585816147E-02     2.008415970        0.9914141839    
FOB,PFOB,DIAG,PSTEP=   -0.3643049584E-05   -0.3612034684E-05     732.1589437        0.4933821388E-08
J1,K1,R1,R2,RAT=   8   8    0.3134107033E-03     1.999658492        0.9996584917    
FOB,PFOB,DIAG,PSTEP=   -0.4325366928E-05   -0.4326722988E-05     673.4000327        0.6425280019E-08
J1,K1,R1,R2,RAT=   9   9    0.2371303743         1.762830247        0.7628302470    
FOB,PFOB,DIAG,PSTEP=    0.5623279740E-07    0.7371264980E-07     626.7169793       -0.1176194417E-09
J1,K1,R1,R2,RAT=  10  10   -0.1450417858E-01     2.014524658        0.9854958214    
FOB,PFOB,DIAG,PSTEP=    0.1926576841E-05    0.1899033206E-05     604.2954297       -0.3142525438E-08
J1,K1,R1,R2,RAT=  11  11   -0.4180983948E-03     2.000450652        0.9995819016    
FOB,PFOB,DIAG,PSTEP=   -0.1354027203E-05   -0.1353461332E-05     588.4636207        0.2299954075E-08
J1,K1,R1,R2,RAT= 109 109     2.002059376       -0.2107274755E-02    0.9978927252    
FOB,PFOB,DIAG,PSTEP=    0.7447563861E-04   -0.7431902426E-04     13.78228223        0.5392488917E-05
J1,K1,R1,R2,RAT= 110 110   -0.5216602234         79.75182970        0.4783397766    
FOB,PFOB,DIAG,PSTEP=   -0.4918896773E-02   -0.4854965510E-02     12.25534551        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     83.71506710        0.2514284870        0.7485715130    
FOB,PFOB,DIAG,PSTEP=    0.4116543904E-02   -0.4141345516E-02     9.864280954        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6612499608         103.7836880        0.3387500392    
FOB,PFOB,DIAG,PSTEP=    0.5175051715E-02    0.5109524313E-02     9.091400616       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     400.0294035       -0.9335201595        0.6647984055E-01
FOB,PFOB,DIAG,PSTEP=   -0.1939018775E-01    0.1929989945E-01     7.263182661       -0.1331621589E-04
J1,K1,R1,R2,RAT= 114 114    -713.2369933        0.9951438017        0.4856198294E-02
FOB,PFOB,DIAG,PSTEP=   -0.6183672087        0.6166440594         4.328895163        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00001      0.00000     -0.00001     -0.00002 
    -0.00002     -0.00001     -0.00001     -0.00002     -0.00000      0.00002 
     0.00002      0.00003      0.00002     -0.00002     -0.00001      0.00002 
     0.00001      0.00001     -0.00001     -0.00002      0.00001      0.00005 
    -0.00003      0.00003      0.00007     -0.00002     -0.00006      0.00000 
    -0.00001      0.00002     -0.00002     -0.00000     -0.00002     -0.00004 
     0.00004      0.00000      0.00004      0.00000     -0.00005      0.00003 
     0.00000     -0.00006     -0.00003      0.00004     -0.00003      0.00001 
    -0.00004     -0.00004      0.00012      0.00010      0.00002     -0.00010 
     0.00001      0.00008     -0.00005     -0.00001     -0.00012      0.00001 
     0.00007     -0.00492      0.00412      0.00518     -0.01939     -0.61837 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4287753495
 Log product of positive Hessian eigenvalues =          519.8930525412
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3288951625
 Unscaled step for mode    7=        0.0000000050
 Unscaled step for mode    8=        0.0000000064
 Unscaled step for mode    9=       -0.0000000001
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000022
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000050
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000120
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000364
 Unscaled step for mode   20=       -0.0000000196
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000164
 Unscaled step for mode   23=       -0.0000000005
 Unscaled step for mode   24=        0.0000000030
 Unscaled step for mode   25=        0.0000000537
 Unscaled step for mode   26=        0.0000000926
 Unscaled step for mode   27=        0.0000000482
 Unscaled step for mode   28=       -0.0000000367
 Unscaled step for mode   29=       -0.0000000209
 Unscaled step for mode   30=        0.0000000778
 Unscaled step for mode   31=        0.0000000418
 Unscaled step for mode   32=        0.0000000191
 Unscaled step for mode   33=       -0.0000000394
 Unscaled step for mode   34=       -0.0000000334
 Unscaled step for mode   35=       -0.0000000883
 Unscaled step for mode   36=       -0.0000000594
 Unscaled step for mode   37=        0.0000000645
 Unscaled step for mode   38=        0.0000000073
 Unscaled step for mode   39=        0.0000000760
 Unscaled step for mode   40=        0.0000000263
 Unscaled step for mode   41=        0.0000001511
 Unscaled step for mode   42=        0.0000000456
 Unscaled step for mode   43=        0.0000000555
 Unscaled step for mode   44=        0.0000001030
 Unscaled step for mode   45=       -0.0000000045
 Unscaled step for mode   46=       -0.0000001045
 Unscaled step for mode   47=        0.0000001446
 Unscaled step for mode   48=       -0.0000000206
 Unscaled step for mode   49=        0.0000001165
 Unscaled step for mode   50=       -0.0000000493
 Unscaled step for mode   51=        0.0000000806
 Unscaled step for mode   52=       -0.0000000148
 Unscaled step for mode   53=        0.0000000697
 Unscaled step for mode   54=        0.0000000918
 Unscaled step for mode   55=        0.0000001194
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000572
 Unscaled step for mode   58=        0.0000001500
 Unscaled step for mode   59=        0.0000000014
 Unscaled step for mode   60=       -0.0000001464
 Unscaled step for mode   61=       -0.0000001775
 Unscaled step for mode   62=       -0.0000002259
 Unscaled step for mode   63=       -0.0000001753
 Unscaled step for mode   64=        0.0000001760
 Unscaled step for mode   65=        0.0000001044
 Unscaled step for mode   66=       -0.0000001902
 Unscaled step for mode   67=       -0.0000000495
 Unscaled step for mode   68=       -0.0000000756
 Unscaled step for mode   69=        0.0000000435
 Unscaled step for mode   70=        0.0000002159
 Unscaled step for mode   71=       -0.0000000466
 Unscaled step for mode   72=       -0.0000005037
 Unscaled step for mode   73=        0.0000002511
 Unscaled step for mode   74=       -0.0000002945
 Unscaled step for mode   75=       -0.0000006794
 Unscaled step for mode   76=        0.0000001704
 Unscaled step for mode   77=        0.0000006584
 Unscaled step for mode   78=       -0.0000000013
 Unscaled step for mode   79=        0.0000001302
 Unscaled step for mode   80=       -0.0000002475
 Unscaled step for mode   81=        0.0000002559
 Unscaled step for mode   82=        0.0000000126
 Unscaled step for mode   83=        0.0000001965
 Unscaled step for mode   84=        0.0000005033
 Unscaled step for mode   85=       -0.0000006024
 Unscaled step for mode   86=       -0.0000000214
 Unscaled step for mode   87=       -0.0000006289
 Unscaled step for mode   88=       -0.0000000553
 Unscaled step for mode   89=        0.0000008667
 Unscaled step for mode   90=       -0.0000005152
 Unscaled step for mode   91=       -0.0000000459
 Unscaled step for mode   92=        0.0000010775
 Unscaled step for mode   93=        0.0000006021
 Unscaled step for mode   94=       -0.0000008502
 Unscaled step for mode   95=        0.0000005159
 Unscaled step for mode   96=       -0.0000001850
 Unscaled step for mode   97=        0.0000009453
 Unscaled step for mode   98=        0.0000009808
 Unscaled step for mode   99=       -0.0000031728
 Unscaled step for mode  100=       -0.0000028987
 Unscaled step for mode  101=       -0.0000004673
 Unscaled step for mode  102=        0.0000033583
 Unscaled step for mode  103=       -0.0000003326
 Unscaled step for mode  104=       -0.0000028068
 Unscaled step for mode  105=        0.0000023573
 Unscaled step for mode  106=        0.0000005514
 Unscaled step for mode  107=        0.0000057286
 Unscaled step for mode  108=       -0.0000005802
 Unscaled step for mode  109=       -0.0000054037
 Unscaled step for mode  110=        0.0004013674
 Unscaled step for mode  111=       -0.0004173181
 Unscaled step for mode  112=       -0.0005692247
 Unscaled step for mode  113=        0.0026696354
 Unscaled step for mode  114=       -0.1400448436
 Largest modulus ratio of non-zero e/values=           169.1329811    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.261510E-15    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.350197E-15    0.100717E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.523019E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.193530E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.214753E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.789245E-15    0.973864E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.364305E-05    0.732159E+03  0.497576E-08 0.100000E-04    0.991414E+00
   8   -0.432537E-05    0.673400E+03  0.642318E-08 0.100000E-04    0.999658E+00
   9    0.562328E-07    0.626717E+03 -0.897260E-10 0.100000E-04    0.762830E+00
  10    0.192658E-05    0.604295E+03 -0.318814E-08 0.100000E-04    0.985496E+00
  11   -0.135403E-05    0.588464E+03  0.230095E-08 0.100000E-04    0.999582E+00
  12   -0.127639E-05    0.570600E+03  0.223693E-08 0.100000E-04    0.977730E+00
  13   -0.342007E-05    0.566781E+03  0.603420E-08 0.100000E-04    0.994096E+00
  14   -0.241770E-05    0.482425E+03  0.501154E-08 0.100000E-04    0.989308E+00
  15    0.179188E-05    0.465509E+03 -0.384930E-08 0.100000E-04    0.988183E+00
  16    0.554257E-05    0.461440E+03 -0.120115E-07 0.100000E-04    0.994046E+00
  17    0.422341E-05    0.441367E+03 -0.956894E-08 0.100000E-04    0.993866E+00
  18    0.495843E-05    0.429828E+03 -0.115358E-07 0.100000E-04    0.997346E+00
  19   -0.153557E-04    0.421745E+03  0.364099E-07 0.100000E-04    0.996559E+00
  20    0.799968E-05    0.407804E+03 -0.196165E-07 0.100000E-04    0.998831E+00
  21    0.726279E-05    0.397493E+03 -0.182715E-07 0.100000E-04    0.999640E+00
  22   -0.639404E-05    0.388845E+03  0.164437E-07 0.100000E-04    0.990780E+00
  23    0.196327E-06    0.367763E+03 -0.533841E-09 0.100000E-04    0.990299E+00
  24   -0.108778E-05    0.361923E+03  0.300555E-08 0.100000E-04    0.961105E+00
  25   -0.188488E-04    0.350986E+03  0.537025E-07 0.100000E-04    0.997775E+00
  26   -0.311790E-04    0.336592E+03  0.926316E-07 0.100000E-04    0.997123E+00
  27   -0.157094E-04    0.325687E+03  0.482347E-07 0.100000E-04    0.998419E+00
  28    0.117973E-04    0.321483E+03 -0.366967E-07 0.100000E-04    0.990568E+00
  29    0.668233E-05    0.320129E+03 -0.208738E-07 0.100000E-04    0.978139E+00
  30   -0.243598E-04    0.313164E+03  0.777860E-07 0.100000E-04    0.999914E+00
  31   -0.127238E-04    0.304179E+03  0.418298E-07 0.100000E-04    0.995894E+00
  32   -0.551975E-05    0.288409E+03  0.191386E-07 0.100000E-04    0.990308E+00
  33    0.109972E-04    0.278889E+03 -0.394324E-07 0.100000E-04    0.993322E+00
  34    0.902977E-05    0.270720E+03 -0.333546E-07 0.100000E-04    0.990617E+00
  35    0.235445E-04    0.266703E+03 -0.882799E-07 0.100000E-04    0.999682E+00
  36    0.156972E-04    0.264072E+03 -0.594431E-07 0.100000E-04    0.994649E+00
  37   -0.167264E-04    0.259313E+03  0.645029E-07 0.100000E-04    0.996420E+00
  38   -0.184741E-05    0.253876E+03  0.727680E-08 0.100000E-04    0.975322E+00
  39   -0.184280E-04    0.242352E+03  0.760383E-07 0.100000E-04    0.997305E+00
  40   -0.626319E-05    0.238028E+03  0.263128E-07 0.100000E-04    0.961258E+00
  41   -0.355577E-04    0.235317E+03  0.151106E-06 0.100000E-04    0.996247E+00
  42   -0.104294E-04    0.228581E+03  0.456268E-07 0.100000E-04    0.994399E+00
  43   -0.122494E-04    0.220597E+03  0.555283E-07 0.100000E-04    0.995907E+00
  44   -0.219946E-04    0.213606E+03  0.102968E-06 0.100000E-04    0.995500E+00
  45    0.945969E-06    0.212180E+03 -0.445833E-08 0.100000E-04    0.941615E+00
  46    0.216797E-04    0.207490E+03 -0.104486E-06 0.100000E-04    0.995576E+00
  47   -0.294371E-04    0.203517E+03  0.144642E-06 0.100000E-04    0.999709E+00
  48    0.408077E-05    0.197639E+03 -0.206476E-07 0.100000E-04    0.992683E+00
  49   -0.227535E-04    0.195339E+03  0.116482E-06 0.100000E-04    0.998338E+00
  50    0.943776E-05    0.191552E+03 -0.492700E-07 0.100000E-04    0.989992E+00
  51   -0.148654E-04    0.184488E+03  0.805764E-07 0.100000E-04    0.999495E+00
  52    0.259046E-05    0.175320E+03 -0.147756E-07 0.100000E-04    0.994614E+00
  53   -0.119729E-04    0.171727E+03  0.697205E-07 0.100000E-04    0.997280E+00
  54   -0.153773E-04    0.167551E+03  0.917768E-07 0.100000E-04    0.996866E+00
  55   -0.197258E-04    0.165170E+03  0.119427E-06 0.100000E-04    0.998997E+00
  56   -0.593620E-05    0.159215E+03  0.372841E-07 0.100000E-04    0.991789E+00
  57   -0.880570E-05    0.153859E+03  0.572323E-07 0.100000E-04    0.994593E+00
  58   -0.226773E-04    0.151224E+03  0.149958E-06 0.100000E-04    0.997394E+00
  59   -0.204625E-06    0.148815E+03  0.137504E-08 0.100000E-04    0.663137E+00
  60    0.209628E-04    0.143220E+03 -0.146368E-06 0.100000E-04    0.999318E+00
  61    0.243346E-04    0.137063E+03 -0.177543E-06 0.100000E-04    0.992270E+00
  62    0.306634E-04    0.135748E+03 -0.225885E-06 0.100000E-04    0.999709E+00
  63    0.229072E-04    0.130703E+03 -0.175262E-06 0.100000E-04    0.996284E+00
  64   -0.225258E-04    0.127961E+03  0.176036E-06 0.100000E-04    0.994125E+00
  65   -0.131647E-04    0.126072E+03  0.104422E-06 0.100000E-04    0.979567E+00
  66    0.238826E-04    0.125591E+03 -0.190161E-06 0.100000E-04    0.998197E+00
  67    0.592228E-05    0.119701E+03 -0.494754E-07 0.100000E-04    0.996779E+00
  68    0.892653E-05    0.118050E+03 -0.756165E-07 0.100000E-04    0.997925E+00
  69   -0.508646E-05    0.116986E+03  0.434794E-07 0.100000E-04    0.988921E+00
  70   -0.239984E-04    0.111155E+03  0.215900E-06 0.100000E-04    0.999191E+00
  71    0.504134E-05    0.108072E+03 -0.466479E-07 0.100000E-04    0.993544E+00
  72    0.527975E-04    0.104824E+03 -0.503679E-06 0.100000E-04    0.994057E+00
  73   -0.258797E-04    0.103072E+03  0.251084E-06 0.100000E-04    0.997331E+00
  74    0.293957E-04    0.998096E+02 -0.294518E-06 0.100000E-04    0.998418E+00
  75    0.652467E-04    0.960372E+02 -0.679390E-06 0.100000E-04    0.994609E+00
  76   -0.161852E-04    0.949708E+02  0.170423E-06 0.100000E-04    0.972416E+00
  77   -0.610080E-04    0.926604E+02  0.658405E-06 0.100000E-04    0.998086E+00
  78    0.114692E-06    0.904244E+02 -0.126837E-08 0.100000E-04    0.889153E+00
  79   -0.116883E-04    0.897939E+02  0.130168E-06 0.100000E-04    0.998770E+00
  80    0.210172E-04    0.849275E+02 -0.247472E-06 0.100000E-04    0.999545E+00
  81   -0.207046E-04    0.809166E+02  0.255876E-06 0.100000E-04    0.996512E+00
  82   -0.100214E-05    0.797593E+02  0.125646E-07 0.100000E-04    0.928665E+00
  83   -0.153901E-04    0.783196E+02  0.196504E-06 0.100000E-04    0.994772E+00
  84   -0.366204E-04    0.727559E+02  0.503332E-06 0.100000E-04    0.993488E+00
  85    0.434417E-04    0.721142E+02 -0.602402E-06 0.100000E-04    0.996450E+00
  86    0.145948E-05    0.682908E+02 -0.213716E-07 0.100000E-04    0.872410E+00
  87    0.420360E-04    0.668361E+02 -0.628941E-06 0.100000E-04    0.999250E+00
  88    0.350079E-05    0.632689E+02 -0.553319E-07 0.100000E-04    0.975397E+00
  89   -0.522996E-04    0.603401E+02  0.866747E-06 0.100000E-04    0.999681E+00
  90    0.307658E-04    0.597145E+02 -0.515215E-06 0.100000E-04    0.987017E+00
  91    0.270870E-05    0.590550E+02 -0.458674E-07 0.100000E-04    0.949684E+00
  92   -0.603665E-04    0.560238E+02  0.107752E-05 0.100000E-04    0.999227E+00
  93   -0.318284E-04    0.528599E+02  0.602129E-06 0.100000E-04    0.998865E+00
  94    0.444415E-04    0.522699E+02 -0.850232E-06 0.100000E-04    0.994465E+00
  95   -0.258502E-04    0.501030E+02  0.515942E-06 0.100000E-04    0.997933E+00
  96    0.881160E-05    0.476324E+02 -0.184992E-06 0.100000E-04    0.985477E+00
  97   -0.405633E-04    0.429089E+02  0.945336E-06 0.100000E-04    0.994287E+00
  98   -0.395619E-04    0.403347E+02  0.980840E-06 0.100000E-04    0.994843E+00
  99    0.118431E-03    0.373269E+02 -0.317281E-05 0.100000E-04    0.995892E+00
 100    0.104618E-03    0.360911E+02 -0.289872E-05 0.100000E-04    0.996914E+00
 101    0.162967E-04    0.348711E+02 -0.467341E-06 0.100000E-04    0.974399E+00
 102   -0.968014E-04    0.288246E+02  0.335829E-05 0.100000E-04    0.996536E+00
 103    0.953888E-05    0.286786E+02 -0.332613E-06 0.100000E-04    0.952028E+00
 104    0.776615E-04    0.276690E+02 -0.280680E-05 0.100000E-04    0.988584E+00
 105   -0.541058E-04    0.229520E+02  0.235735E-05 0.100000E-04    0.999165E+00
 106   -0.118633E-04    0.215141E+02  0.551421E-06 0.100000E-04    0.914560E+00
 107   -0.116292E-03    0.203002E+02  0.572861E-05 0.100000E-04    0.993817E+00
 108    0.975973E-05    0.168215E+02 -0.580195E-06 0.100000E-04    0.940843E+00
 109    0.744756E-04    0.137823E+02 -0.540372E-05 0.100000E-04    0.997893E+00
 110   -0.491890E-02    0.122553E+02  0.100000E-04 0.100000E-04    0.478340E+00
 111    0.411654E-02    0.986428E+01 -0.100000E-04 0.100000E-04    0.748572E+00
 112    0.517505E-02    0.909140E+01 -0.100000E-04 0.100000E-04    0.338750E+00
 113   -0.193902E-01    0.726318E+01  0.145147E-04 0.145147E-04    0.664798E-01
 114   -0.618367E+00    0.432890E+01 -0.400000E-03 0.400000E-03    0.485620E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1400448436    

 Beginning of optimization cycle  310.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3615415913
 potential> RMS force:                                               0.0581104619   |gradient|=.6204499485    
 Eigenvalues of the Hessian matrix:
   732.22114    673.40933    626.72924    604.28935    588.45392    570.64252 
   566.78818    482.45006    465.48556    461.43297    441.36798    429.82011 
   421.75016    407.81252    397.48752    388.84437    367.76946    361.91410 
   350.97875    336.56992    325.69875    321.48121    320.13665    313.13817 
   304.16875    288.41763    278.88339    270.72144    266.71188    264.07973 
   259.32589    253.87833    242.34743    238.03815    235.30530    228.57833 
   220.57656    213.61362    212.18587    207.48303    203.51923    197.63325 
   195.33588    191.55090    184.47786    175.30830    171.73285    167.55078 
   165.16424    159.20558    153.86389    151.22928    148.80741    143.22255 
   137.06483    135.75135    130.70132    127.96563    126.07307    125.59101 
   119.70319    118.05093    116.98738    111.14883    108.06299    104.82057 
   103.07274     99.80798     96.03000     94.96556     92.67317     90.42717 
    89.79112     84.93037     80.91655     79.76182     78.31831     72.75704 
    72.11879     68.29046     66.82349     63.26635     60.33073     59.71527 
    59.05587     56.02453     52.85615     52.27068     50.10162     47.62856 
    42.90740     40.33720     37.33117     36.09476     34.85951     28.82410 
    28.67750     27.66080     22.95335     21.50826     20.30497     16.82120 
    13.78261     12.25495      9.86548      9.08338      7.25783      4.32434 
overlap for current and previous eigenvector    109 is        -0.9999996001
overlap for current and previous eigenvector    110 is        -0.9999994690
overlap for current and previous eigenvector    111 is         0.9999946881
overlap for current and previous eigenvector    112 is         0.9999888169
overlap for current and previous eigenvector    113 is        -0.9999939777
overlap for current and previous eigenvector    114 is        -0.9999997130
J1,K1,R1,R2,RAT=   7   7   -0.7081911116E-02     2.006912038        0.9929180889    
FOB,PFOB,DIAG,PSTEP=   -0.3668851529E-05   -0.3643049584E-05     732.2211361        0.4975763276E-08
J1,K1,R1,R2,RAT=   8   8   -0.8466531262E-02     2.008438914        0.9915334687    
FOB,PFOB,DIAG,PSTEP=   -0.4361988288E-05   -0.4325366928E-05     673.4093314        0.6423176000E-08
J1,K1,R1,R2,RAT=   9   9   -0.8640993718E-02     2.008601868        0.9913590063    
FOB,PFOB,DIAG,PSTEP=    0.5671871415E-07    0.5623279740E-07     626.7292400       -0.8972598359E-10
J1,K1,R1,R2,RAT=  10  10    0.7495635916E-02     1.992524484        0.9925043641    
FOB,PFOB,DIAG,PSTEP=    0.1912136067E-05    0.1926576841E-05     604.2893506       -0.3188137367E-08
J1,K1,R1,R2,RAT=  11  11   -0.7689618499E-02     2.007722594        0.9923103815    
FOB,PFOB,DIAG,PSTEP=   -0.1364438984E-05   -0.1354027203E-05     588.4539182        0.2300953119E-08
J1,K1,R1,R2,RAT= 109 109     1.994877671        0.5074472218E-02    0.9948776714    
FOB,PFOB,DIAG,PSTEP=   -0.7409770501E-04    0.7447563861E-04     13.78261203       -0.5403723225E-05
J1,K1,R1,R2,RAT= 110 110     80.79434887       -0.5182670349        0.4817329651    
FOB,PFOB,DIAG,PSTEP=    0.4982410138E-02   -0.4918896773E-02     12.25494982        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2586468758         83.19481017        0.7413531242    
FOB,PFOB,DIAG,PSTEP=    0.4091027136E-02    0.4116543904E-02     9.865484425       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8082358644         114.7537292        0.1917641356    
FOB,PFOB,DIAG,PSTEP=    0.5248466859E-02    0.5175051715E-02     9.083381122       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     368.9070653       -0.7800879829        0.2199120171    
FOB,PFOB,DIAG,PSTEP=    0.1947236620E-01   -0.1939018775E-01     7.257834145        0.1451467532E-04
J1,K1,R1,R2,RAT= 114 114    -715.9794527        0.9951174095        0.4882590539E-02
FOB,PFOB,DIAG,PSTEP=    0.6200884994       -0.6183672087         4.324340955       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00001      0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00002     -0.00003     -0.00002      0.00002      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001     -0.00002     -0.00001     -0.00005 
    -0.00003      0.00003     -0.00007      0.00002      0.00006      0.00000 
     0.00001      0.00002      0.00002      0.00000      0.00002     -0.00004 
    -0.00004     -0.00000      0.00004      0.00000     -0.00005     -0.00003 
     0.00000     -0.00006      0.00003      0.00004      0.00003      0.00001 
    -0.00004     -0.00004     -0.00012     -0.00010      0.00002     -0.00010 
     0.00001      0.00008      0.00005     -0.00001     -0.00012     -0.00001 
    -0.00007      0.00498      0.00409      0.00525      0.01947      0.62009 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4286435792
 Log product of positive Hessian eigenvalues =          519.8894653971
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3243409550
 Unscaled step for mode    7=        0.0000000050
 Unscaled step for mode    8=        0.0000000065
 Unscaled step for mode    9=       -0.0000000001
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000023
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000049
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000120
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000365
 Unscaled step for mode   20=       -0.0000000196
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000165
 Unscaled step for mode   23=       -0.0000000006
 Unscaled step for mode   24=        0.0000000030
 Unscaled step for mode   25=        0.0000000539
 Unscaled step for mode   26=        0.0000000928
 Unscaled step for mode   27=        0.0000000484
 Unscaled step for mode   28=       -0.0000000370
 Unscaled step for mode   29=       -0.0000000212
 Unscaled step for mode   30=        0.0000000779
 Unscaled step for mode   31=        0.0000000422
 Unscaled step for mode   32=        0.0000000192
 Unscaled step for mode   33=       -0.0000000395
 Unscaled step for mode   34=       -0.0000000335
 Unscaled step for mode   35=       -0.0000000884
 Unscaled step for mode   36=       -0.0000000597
 Unscaled step for mode   37=        0.0000000647
 Unscaled step for mode   38=        0.0000000072
 Unscaled step for mode   39=        0.0000000762
 Unscaled step for mode   40=        0.0000000271
 Unscaled step for mode   41=        0.0000001516
 Unscaled step for mode   42=        0.0000000458
 Unscaled step for mode   43=        0.0000000560
 Unscaled step for mode   44=        0.0000001036
 Unscaled step for mode   45=       -0.0000000042
 Unscaled step for mode   46=       -0.0000001050
 Unscaled step for mode   47=        0.0000001448
 Unscaled step for mode   48=       -0.0000000208
 Unscaled step for mode   49=        0.0000001171
 Unscaled step for mode   50=       -0.0000000490
 Unscaled step for mode   51=        0.0000000810
 Unscaled step for mode   52=       -0.0000000150
 Unscaled step for mode   53=        0.0000000700
 Unscaled step for mode   54=        0.0000000925
 Unscaled step for mode   55=       -0.0000001196
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000577
 Unscaled step for mode   58=        0.0000001503
 Unscaled step for mode   59=       -0.0000000012
 Unscaled step for mode   60=       -0.0000001470
 Unscaled step for mode   61=        0.0000001782
 Unscaled step for mode   62=        0.0000002255
 Unscaled step for mode   63=        0.0000001749
 Unscaled step for mode   64=       -0.0000001773
 Unscaled step for mode   65=       -0.0000001062
 Unscaled step for mode   66=        0.0000001890
 Unscaled step for mode   67=        0.0000000500
 Unscaled step for mode   68=        0.0000000757
 Unscaled step for mode   69=       -0.0000000435
 Unscaled step for mode   70=        0.0000002171
 Unscaled step for mode   71=        0.0000000468
 Unscaled step for mode   72=        0.0000005050
 Unscaled step for mode   73=        0.0000002520
 Unscaled step for mode   74=       -0.0000002938
 Unscaled step for mode   75=        0.0000006834
 Unscaled step for mode   76=       -0.0000001662
 Unscaled step for mode   77=       -0.0000006578
 Unscaled step for mode   78=       -0.0000000032
 Unscaled step for mode   79=       -0.0000001282
 Unscaled step for mode   80=       -0.0000002484
 Unscaled step for mode   81=       -0.0000002563
 Unscaled step for mode   82=       -0.0000000102
 Unscaled step for mode   83=       -0.0000001980
 Unscaled step for mode   84=        0.0000005044
 Unscaled step for mode   85=        0.0000006016
 Unscaled step for mode   86=        0.0000000177
 Unscaled step for mode   87=       -0.0000006305
 Unscaled step for mode   88=       -0.0000000559
 Unscaled step for mode   89=        0.0000008678
 Unscaled step for mode   90=        0.0000005176
 Unscaled step for mode   91=       -0.0000000475
 Unscaled step for mode   92=        0.0000010804
 Unscaled step for mode   93=       -0.0000005978
 Unscaled step for mode   94=       -0.0000008510
 Unscaled step for mode   95=       -0.0000005108
 Unscaled step for mode   96=       -0.0000001846
 Unscaled step for mode   97=        0.0000009448
 Unscaled step for mode   98=        0.0000009845
 Unscaled step for mode   99=        0.0000031740
 Unscaled step for mode  100=        0.0000028945
 Unscaled step for mode  101=       -0.0000004698
 Unscaled step for mode  102=        0.0000033578
 Unscaled step for mode  103=       -0.0000003487
 Unscaled step for mode  104=       -0.0000028049
 Unscaled step for mode  105=       -0.0000023707
 Unscaled step for mode  106=        0.0000005298
 Unscaled step for mode  107=        0.0000057400
 Unscaled step for mode  108=        0.0000005630
 Unscaled step for mode  109=        0.0000053762
 Unscaled step for mode  110=       -0.0004065630
 Unscaled step for mode  111=       -0.0004146807
 Unscaled step for mode  112=       -0.0005778096
 Unscaled step for mode  113=       -0.0026829252
 Unscaled step for mode  114=        0.1405617729
 Largest modulus ratio of non-zero e/values=           169.3254865    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.828330E-16    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.713622E-15    0.100716E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.581005E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.758942E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.942714E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.588261E-15    0.973865E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.366885E-05    0.732221E+03  0.501058E-08 0.100000E-04    0.992918E+00
   8   -0.436199E-05    0.673409E+03  0.647747E-08 0.100000E-04    0.991533E+00
   9    0.567187E-07    0.626729E+03 -0.904995E-10 0.100000E-04    0.991359E+00
  10    0.191214E-05    0.604289E+03 -0.316427E-08 0.100000E-04    0.992504E+00
  11   -0.136444E-05    0.588454E+03  0.231868E-08 0.100000E-04    0.992310E+00
  12   -0.131867E-05    0.570643E+03  0.231085E-08 0.100000E-04    0.966879E+00
  13   -0.344896E-05    0.566788E+03  0.608510E-08 0.100000E-04    0.991551E+00
  14   -0.237368E-05    0.482450E+03  0.492005E-08 0.100000E-04    0.981691E+00
  15    0.181435E-05    0.465486E+03 -0.389776E-08 0.100000E-04    0.987461E+00
  16    0.555737E-05    0.461433E+03 -0.120437E-07 0.100000E-04    0.997329E+00
  17    0.422599E-05    0.441368E+03 -0.957476E-08 0.100000E-04    0.999389E+00
  18    0.498094E-05    0.429820E+03 -0.115884E-07 0.100000E-04    0.995459E+00
  19   -0.153899E-04    0.421750E+03  0.364907E-07 0.100000E-04    0.997772E+00
  20    0.797883E-05    0.407813E+03 -0.195650E-07 0.100000E-04    0.997353E+00
  21    0.725586E-05    0.397488E+03 -0.182543E-07 0.100000E-04    0.999045E+00
  22   -0.641511E-05    0.388844E+03  0.164979E-07 0.100000E-04    0.996705E+00
  23    0.211455E-06    0.367769E+03 -0.574966E-09 0.100000E-04    0.922947E+00
  24   -0.110373E-05    0.361914E+03  0.304971E-08 0.100000E-04    0.985329E+00
  25   -0.189089E-04    0.350979E+03  0.538749E-07 0.100000E-04    0.996810E+00
  26   -0.312370E-04    0.336570E+03  0.928099E-07 0.100000E-04    0.998141E+00
  27   -0.157584E-04    0.325699E+03  0.483833E-07 0.100000E-04    0.996884E+00
  28    0.118956E-04    0.321481E+03 -0.370024E-07 0.100000E-04    0.991674E+00
  29    0.677656E-05    0.320137E+03 -0.211677E-07 0.100000E-04    0.985899E+00
  30   -0.244036E-04    0.313138E+03  0.779325E-07 0.100000E-04    0.998199E+00
  31   -0.128268E-04    0.304169E+03  0.421701E-07 0.100000E-04    0.991900E+00
  32   -0.552968E-05    0.288418E+03  0.191725E-07 0.100000E-04    0.998201E+00
  33    0.110042E-04    0.278883E+03 -0.394580E-07 0.100000E-04    0.999370E+00
  34    0.906931E-05    0.270721E+03 -0.335005E-07 0.100000E-04    0.995622E+00
  35    0.235758E-04    0.266712E+03 -0.883941E-07 0.100000E-04    0.998673E+00
  36    0.157665E-04    0.264080E+03 -0.597037E-07 0.100000E-04    0.995585E+00
  37   -0.167873E-04    0.259326E+03  0.647345E-07 0.100000E-04    0.996360E+00
  38   -0.181792E-05    0.253878E+03  0.716059E-08 0.100000E-04    0.984022E+00
  39   -0.184565E-04    0.242347E+03  0.761572E-07 0.100000E-04    0.998455E+00
  40   -0.645083E-05    0.238038E+03  0.271000E-07 0.100000E-04    0.970041E+00
  41   -0.356794E-04    0.235305E+03  0.151630E-06 0.100000E-04    0.996576E+00
  42   -0.104787E-04    0.228578E+03  0.458431E-07 0.100000E-04    0.995273E+00
  43   -0.123487E-04    0.220577E+03  0.559836E-07 0.100000E-04    0.991893E+00
  44   -0.221267E-04    0.213614E+03  0.103583E-06 0.100000E-04    0.993994E+00
  45    0.885188E-06    0.212186E+03 -0.417176E-08 0.100000E-04    0.935695E+00
  46    0.217920E-04    0.207483E+03 -0.105030E-06 0.100000E-04    0.994823E+00
  47   -0.294722E-04    0.203519E+03  0.144813E-06 0.100000E-04    0.998806E+00
  48    0.411871E-05    0.197633E+03 -0.208402E-07 0.100000E-04    0.990702E+00
  49   -0.228654E-04    0.195336E+03  0.117057E-06 0.100000E-04    0.995082E+00
  50    0.937751E-05    0.191551E+03 -0.489557E-07 0.100000E-04    0.993616E+00
  51   -0.149504E-04    0.184478E+03  0.810417E-07 0.100000E-04    0.994280E+00
  52    0.263281E-05    0.175308E+03 -0.150182E-07 0.100000E-04    0.983650E+00
  53   -0.120195E-04    0.171733E+03  0.699896E-07 0.100000E-04    0.996106E+00
  54   -0.154912E-04    0.167551E+03  0.924569E-07 0.100000E-04    0.992592E+00
  55    0.197459E-04    0.165164E+03 -0.119553E-06 0.100000E-04    0.998983E+00
  56    0.588575E-05    0.159206E+03 -0.369695E-07 0.100000E-04    0.991500E+00
  57    0.887616E-05    0.153864E+03 -0.576884E-07 0.100000E-04    0.991999E+00
  58   -0.227302E-04    0.151229E+03  0.150303E-06 0.100000E-04    0.997664E+00
  59    0.182498E-06    0.148807E+03 -0.122640E-08 0.100000E-04    0.891858E+00
  60    0.210563E-04    0.143223E+03 -0.147018E-06 0.100000E-04    0.995541E+00
  61   -0.244253E-04    0.137065E+03  0.178202E-06 0.100000E-04    0.996272E+00
  62   -0.306094E-04    0.135751E+03  0.225481E-06 0.100000E-04    0.998185E+00
  63   -0.228645E-04    0.130701E+03  0.174937E-06 0.100000E-04    0.998135E+00
  64    0.226880E-04    0.127966E+03 -0.177297E-06 0.100000E-04    0.992799E+00
  65    0.133949E-04    0.126073E+03 -0.106247E-06 0.100000E-04    0.982511E+00
  66   -0.237376E-04    0.125591E+03  0.189007E-06 0.100000E-04    0.993930E+00
  67   -0.598245E-05    0.119703E+03  0.499774E-07 0.100000E-04    0.989840E+00
  68   -0.893939E-05    0.118051E+03  0.757249E-07 0.100000E-04    0.998560E+00
  69    0.509377E-05    0.116987E+03 -0.435412E-07 0.100000E-04    0.998563E+00
  70   -0.241267E-04    0.111149E+03  0.217066E-06 0.100000E-04    0.994655E+00
  71   -0.505863E-05    0.108063E+03  0.468119E-07 0.100000E-04    0.996570E+00
  72   -0.529303E-04    0.104821E+03  0.504961E-06 0.100000E-04    0.997485E+00
  73   -0.259742E-04    0.103073E+03  0.251999E-06 0.100000E-04    0.996347E+00
  74    0.293192E-04    0.998080E+02 -0.293756E-06 0.100000E-04    0.997398E+00
  75   -0.656231E-04    0.960300E+02  0.683360E-06 0.100000E-04    0.994231E+00
  76    0.157872E-04    0.949656E+02 -0.166242E-06 0.100000E-04    0.975412E+00
  77    0.609629E-04    0.926732E+02 -0.657827E-06 0.100000E-04    0.998985E+00
  78    0.286525E-06    0.904272E+02 -0.316857E-08 0.100000E-04    0.498173E+00
  79    0.115072E-04    0.897911E+02 -0.128156E-06 0.100000E-04    0.984514E+00
  80    0.211007E-04    0.849304E+02 -0.248447E-06 0.100000E-04    0.996026E+00
  81    0.207381E-04    0.809166E+02 -0.256290E-06 0.100000E-04    0.998380E+00
  82    0.813477E-06    0.797618E+02 -0.101988E-07 0.100000E-04    0.811681E+00
  83    0.155108E-04    0.783183E+02 -0.198048E-06 0.100000E-04    0.992160E+00
  84   -0.367015E-04    0.727570E+02  0.504439E-06 0.100000E-04    0.997785E+00
  85   -0.433873E-04    0.721188E+02  0.601609E-06 0.100000E-04    0.998619E+00
  86   -0.120611E-05    0.682905E+02  0.176615E-07 0.100000E-04    0.826398E+00
  87    0.421337E-04    0.668235E+02 -0.630522E-06 0.100000E-04    0.997674E+00
  88    0.353634E-05    0.632663E+02 -0.558961E-07 0.100000E-04    0.989843E+00
  89   -0.523530E-04    0.603307E+02  0.867766E-06 0.100000E-04    0.998979E+00
  90   -0.309075E-04    0.597153E+02  0.517581E-06 0.100000E-04    0.995396E+00
  91    0.280296E-05    0.590559E+02 -0.474628E-07 0.100000E-04    0.965204E+00
  92   -0.605283E-04    0.560245E+02  0.108039E-05 0.100000E-04    0.997320E+00
  93    0.315968E-04    0.528562E+02 -0.597789E-06 0.100000E-04    0.992722E+00
  94    0.444813E-04    0.522707E+02 -0.850980E-06 0.100000E-04    0.999104E+00
  95    0.255932E-04    0.501016E+02 -0.510826E-06 0.100000E-04    0.990058E+00
  96    0.879022E-05    0.476286E+02 -0.184558E-06 0.100000E-04    0.997574E+00
  97   -0.405392E-04    0.429074E+02  0.944806E-06 0.100000E-04    0.999405E+00
  98   -0.397112E-04    0.403372E+02  0.984482E-06 0.100000E-04    0.996225E+00
  99   -0.118490E-03    0.373312E+02  0.317402E-05 0.100000E-04    0.999505E+00
 100   -0.104475E-03    0.360948E+02  0.289446E-05 0.100000E-04    0.998427E+00
 101    0.163766E-04    0.348595E+02 -0.469788E-06 0.100000E-04    0.995098E+00
 102   -0.967869E-04    0.288241E+02  0.335785E-05 0.100000E-04    0.999851E+00
 103    0.100009E-04    0.286775E+02 -0.348738E-06 0.100000E-04    0.951561E+00
 104    0.775867E-04    0.276608E+02 -0.280493E-05 0.100000E-04    0.999036E+00
 105    0.544157E-04    0.229533E+02 -0.237071E-05 0.100000E-04    0.994273E+00
 106   -0.113948E-04    0.215083E+02  0.529785E-06 0.100000E-04    0.960490E+00
 107   -0.116551E-03    0.203050E+02  0.574000E-05 0.100000E-04    0.997774E+00
 108   -0.946994E-05    0.168212E+02  0.562977E-06 0.100000E-04    0.970308E+00
 109   -0.740977E-04    0.137826E+02  0.537617E-05 0.100000E-04    0.994878E+00
 110    0.498241E-02    0.122549E+02 -0.100000E-04 0.100000E-04    0.481733E+00
 111    0.409103E-02    0.986548E+01 -0.100000E-04 0.100000E-04    0.741353E+00
 112    0.524847E-02    0.908338E+01 -0.109000E-04 0.109000E-04    0.191764E+00
 113    0.194724E-01    0.725783E+01 -0.130763E-04 0.130763E-04    0.219912E+00
 114    0.620088E+00    0.432434E+01  0.400000E-03 0.400000E-03    0.488259E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1405617729    

 Beginning of optimization cycle  311.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3612936119
 potential> RMS force:                                               0.0582717643   |gradient|=.6221721868    
 Eigenvalues of the Hessian matrix:
   732.28334    673.41876    626.74155    604.28297    588.44434    570.68525 
   566.79555    482.47494    465.46227    461.42582    441.36904    429.81222 
   421.75473    407.82082    397.48247    388.84382    367.77614    361.90518 
   350.97130    336.54809    325.71022    321.47942    320.14379    313.11240 
   304.15795    288.42608    278.87809    270.72272    266.72067    264.08770 
   259.33880    253.88028    242.34298    238.04844    235.29374    228.57513 
   220.55596    213.62138    212.19157    207.47600    203.52120    197.62724 
   195.33282    191.54978    184.46767    175.29672    171.73878    167.55037 
   165.15800    159.19568    153.86872    151.23430    148.80031    143.22498 
   137.06685    135.75491    130.69969    127.96985    126.07437    125.59084 
   119.70507    118.05189    116.98915    111.14270    108.05391    104.81756 
   103.07361     99.80640     96.02291     94.96024     92.68588     90.42997 
    89.78830     84.93321     80.91647     79.76427     78.31704     72.75827 
    72.12345     68.29023     66.81087     63.26374     60.32150     59.71604 
    59.05676     56.02529     52.85250     52.27152     50.10030     47.62472 
    42.90595     40.33971     37.33548     36.09856     34.84794     28.82361 
    28.67637     27.65260     22.95471     21.50235     20.30981     16.82095 
    13.78295     12.25456      9.86670      9.07544      7.25245      4.31977 
overlap for current and previous eigenvector    109 is        -0.9999996061
overlap for current and previous eigenvector    110 is        -0.9999994729
overlap for current and previous eigenvector    111 is         0.9999950214
overlap for current and previous eigenvector    112 is         0.9999891617
overlap for current and previous eigenvector    113 is        -0.9999939890
overlap for current and previous eigenvector    114 is         0.9999997137
J1,K1,R1,R2,RAT=   7   7   -0.8499594075E-02     2.008329705        0.9915004059    
FOB,PFOB,DIAG,PSTEP=   -0.3700037927E-05   -0.3668851529E-05     732.2833394        0.5010578564E-08
J1,K1,R1,R2,RAT=   8   8    0.2605639806E-03     1.999711422        0.9997114216    
FOB,PFOB,DIAG,PSTEP=   -0.4360851695E-05   -0.4361988288E-05     673.4187642        0.6477469326E-08
J1,K1,R1,R2,RAT=   9   9    0.3077637682         1.692196964        0.6921969639    
FOB,PFOB,DIAG,PSTEP=    0.3926240622E-07    0.5671871415E-07     626.7415454       -0.9049954993E-10
J1,K1,R1,R2,RAT=  10  10   -0.1439464200E-01     2.014415754        0.9856053580    
FOB,PFOB,DIAG,PSTEP=    0.1939660291E-05    0.1912136067E-05     604.2829719       -0.3164272323E-08
J1,K1,R1,R2,RAT=  11  11   -0.4730456444E-03     2.000505615        0.9995269544    
FOB,PFOB,DIAG,PSTEP=   -0.1365084415E-05   -0.1364438984E-05     588.4443357        0.2318684508E-08
J1,K1,R1,R2,RAT= 109 109     2.002037303       -0.2086168193E-02    0.9979138318    
FOB,PFOB,DIAG,PSTEP=    0.7425228906E-04   -0.7409770501E-04     13.78294878        0.5376172880E-05
J1,K1,R1,R2,RAT= 110 110     81.84265859       -0.5274320543        0.4725679457    
FOB,PFOB,DIAG,PSTEP=   -0.5047044597E-02    0.4982410138E-02     12.25455637       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2560121407         82.66996964        0.7439878593    
FOB,PFOB,DIAG,PSTEP=    0.4065767198E-02    0.4091027136E-02     9.866695693       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6554880672         106.7684272        0.3445119328    
FOB,PFOB,DIAG,PSTEP=    0.5313309232E-02    0.5248466859E-02     9.075438398       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     411.6314078       -0.9740364192        0.2596358081E-01
FOB,PFOB,DIAG,PSTEP=   -0.1956473904E-01    0.1947236620E-01     7.252450185       -0.1307628408E-04
J1,K1,R1,R2,RAT= 114 114    0.9950951914        -718.7281939        0.4904808598E-02
FOB,PFOB,DIAG,PSTEP=    0.6218079327        0.6200884994         4.319770821        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00001      0.00000     -0.00001     -0.00002 
     0.00002      0.00001     -0.00001     -0.00002      0.00000     -0.00002 
     0.00002      0.00003      0.00002     -0.00002      0.00001     -0.00002 
     0.00001      0.00001     -0.00001      0.00002      0.00001      0.00005 
    -0.00003      0.00003     -0.00007      0.00002      0.00006     -0.00000 
    -0.00001     -0.00002      0.00002      0.00000     -0.00002     -0.00004 
     0.00004     -0.00000     -0.00004     -0.00000     -0.00005      0.00003 
    -0.00000     -0.00006      0.00003     -0.00004      0.00003      0.00001 
     0.00004     -0.00004      0.00012      0.00010     -0.00002      0.00010 
    -0.00001      0.00008     -0.00005     -0.00001     -0.00012      0.00001 
     0.00007     -0.00505      0.00407      0.00531     -0.01956      0.62181 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4285061889
 Log product of positive Hessian eigenvalues =          519.8858871525
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3197708213
 Unscaled step for mode    7=        0.0000000051
 Unscaled step for mode    8=        0.0000000065
 Unscaled step for mode    9=       -0.0000000001
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000024
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=        0.0000000049
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000121
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000366
 Unscaled step for mode   20=       -0.0000000195
 Unscaled step for mode   21=       -0.0000000183
 Unscaled step for mode   22=        0.0000000166
 Unscaled step for mode   23=       -0.0000000006
 Unscaled step for mode   24=        0.0000000032
 Unscaled step for mode   25=        0.0000000540
 Unscaled step for mode   26=        0.0000000931
 Unscaled step for mode   27=        0.0000000485
 Unscaled step for mode   28=       -0.0000000373
 Unscaled step for mode   29=       -0.0000000216
 Unscaled step for mode   30=        0.0000000779
 Unscaled step for mode   31=        0.0000000423
 Unscaled step for mode   32=        0.0000000194
 Unscaled step for mode   33=       -0.0000000397
 Unscaled step for mode   34=       -0.0000000338
 Unscaled step for mode   35=       -0.0000000884
 Unscaled step for mode   36=       -0.0000000600
 Unscaled step for mode   37=        0.0000000650
 Unscaled step for mode   38=        0.0000000070
 Unscaled step for mode   39=        0.0000000764
 Unscaled step for mode   40=        0.0000000281
 Unscaled step for mode   41=        0.0000001522
 Unscaled step for mode   42=        0.0000000461
 Unscaled step for mode   43=        0.0000000562
 Unscaled step for mode   44=        0.0000001040
 Unscaled step for mode   45=       -0.0000000044
 Unscaled step for mode   46=       -0.0000001055
 Unscaled step for mode   47=        0.0000001448
 Unscaled step for mode   48=       -0.0000000210
 Unscaled step for mode   49=        0.0000001173
 Unscaled step for mode   50=       -0.0000000494
 Unscaled step for mode   51=        0.0000000811
 Unscaled step for mode   52=       -0.0000000151
 Unscaled step for mode   53=        0.0000000702
 Unscaled step for mode   54=        0.0000000927
 Unscaled step for mode   55=       -0.0000001197
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=        0.0000000580
 Unscaled step for mode   58=        0.0000001507
 Unscaled step for mode   59=       -0.0000000005
 Unscaled step for mode   60=        0.0000001471
 Unscaled step for mode   61=       -0.0000001796
 Unscaled step for mode   62=       -0.0000002255
 Unscaled step for mode   63=       -0.0000001756
 Unscaled step for mode   64=        0.0000001783
 Unscaled step for mode   65=       -0.0000001083
 Unscaled step for mode   66=        0.0000001886
 Unscaled step for mode   67=       -0.0000000501
 Unscaled step for mode   68=       -0.0000000759
 Unscaled step for mode   69=        0.0000000440
 Unscaled step for mode   70=       -0.0000002172
 Unscaled step for mode   71=       -0.0000000471
 Unscaled step for mode   72=       -0.0000005079
 Unscaled step for mode   73=        0.0000002527
 Unscaled step for mode   74=       -0.0000002942
 Unscaled step for mode   75=        0.0000006870
 Unscaled step for mode   76=       -0.0000001612
 Unscaled step for mode   77=       -0.0000006566
 Unscaled step for mode   78=        0.0000000031
 Unscaled step for mode   79=        0.0000001280
 Unscaled step for mode   80=        0.0000002483
 Unscaled step for mode   81=       -0.0000002572
 Unscaled step for mode   82=       -0.0000000092
 Unscaled step for mode   83=        0.0000001970
 Unscaled step for mode   84=        0.0000005077
 Unscaled step for mode   85=       -0.0000006036
 Unscaled step for mode   86=        0.0000000146
 Unscaled step for mode   87=        0.0000006311
 Unscaled step for mode   88=        0.0000000573
 Unscaled step for mode   89=        0.0000008680
 Unscaled step for mode   90=       -0.0000005244
 Unscaled step for mode   91=        0.0000000498
 Unscaled step for mode   92=        0.0000010795
 Unscaled step for mode   93=       -0.0000005970
 Unscaled step for mode   94=        0.0000008556
 Unscaled step for mode   95=       -0.0000005119
 Unscaled step for mode   96=       -0.0000001818
 Unscaled step for mode   97=       -0.0000009502
 Unscaled step for mode   98=        0.0000009895
 Unscaled step for mode   99=       -0.0000031863
 Unscaled step for mode  100=       -0.0000028858
 Unscaled step for mode  101=        0.0000004816
 Unscaled step for mode  102=       -0.0000033693
 Unscaled step for mode  103=        0.0000003639
 Unscaled step for mode  104=       -0.0000028374
 Unscaled step for mode  105=        0.0000023726
 Unscaled step for mode  106=        0.0000005734
 Unscaled step for mode  107=        0.0000057053
 Unscaled step for mode  108=       -0.0000005267
 Unscaled step for mode  109=       -0.0000053873
 Unscaled step for mode  110=        0.0004118504
 Unscaled step for mode  111=       -0.0004120697
 Unscaled step for mode  112=       -0.0005854601
 Unscaled step for mode  113=        0.0026976534
 Unscaled step for mode  114=        0.1410796596
 Largest modulus ratio of non-zero e/values=           169.5190254    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.253053E-15    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.155149E-14    0.100716E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.191677E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.730559E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.406359E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.415927E-15    0.973867E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.370004E-05    0.732283E+03  0.505274E-08 0.100000E-04    0.991500E+00
   8   -0.436085E-05    0.673419E+03  0.647569E-08 0.100000E-04    0.999711E+00
   9    0.392624E-07    0.626742E+03 -0.626453E-10 0.100000E-04    0.692197E+00
  10    0.193966E-05    0.604283E+03 -0.320985E-08 0.100000E-04    0.985605E+00
  11   -0.136508E-05    0.588444E+03  0.231982E-08 0.100000E-04    0.999527E+00
  12   -0.134659E-05    0.570685E+03  0.235961E-08 0.100000E-04    0.978826E+00
  13   -0.342886E-05    0.566796E+03  0.604955E-08 0.100000E-04    0.994145E+00
  14   -0.234736E-05    0.482475E+03  0.486525E-08 0.100000E-04    0.988812E+00
  15    0.179319E-05    0.465462E+03 -0.385250E-08 0.100000E-04    0.988338E+00
  16    0.559005E-05    0.461426E+03 -0.121147E-07 0.100000E-04    0.994120E+00
  17    0.425146E-05    0.441369E+03 -0.963245E-08 0.100000E-04    0.993973E+00
  18    0.496783E-05    0.429812E+03 -0.115581E-07 0.100000E-04    0.997367E+00
  19   -0.154424E-04    0.421755E+03  0.366147E-07 0.100000E-04    0.996589E+00
  20    0.796930E-05    0.407821E+03 -0.195412E-07 0.100000E-04    0.998765E+00
  21    0.725799E-05    0.397482E+03 -0.182599E-07 0.100000E-04    0.999706E+00
  22   -0.647346E-05    0.388844E+03  0.166480E-07 0.100000E-04    0.990905E+00
  23    0.213220E-06    0.367776E+03 -0.579756E-09 0.100000E-04    0.991651E+00
  24   -0.114463E-05    0.361905E+03  0.316279E-08 0.100000E-04    0.962947E+00
  25   -0.189506E-04    0.350971E+03  0.539948E-07 0.100000E-04    0.997796E+00
  26   -0.313256E-04    0.336548E+03  0.930790E-07 0.100000E-04    0.997165E+00
  27   -0.157826E-04    0.325710E+03  0.484561E-07 0.100000E-04    0.998461E+00
  28    0.120037E-04    0.321479E+03 -0.373389E-07 0.100000E-04    0.990910E+00
  29    0.692364E-05    0.320144E+03 -0.216267E-07 0.100000E-04    0.978296E+00
  30   -0.244005E-04    0.313112E+03  0.779288E-07 0.100000E-04    0.999870E+00
  31   -0.128794E-04    0.304158E+03  0.423443E-07 0.100000E-04    0.995903E+00
  32   -0.558261E-05    0.288426E+03  0.193554E-07 0.100000E-04    0.990430E+00
  33    0.110770E-04    0.278878E+03 -0.397200E-07 0.100000E-04    0.993380E+00
  34    0.915368E-05    0.270723E+03 -0.338120E-07 0.100000E-04    0.990698E+00
  35    0.235694E-04    0.266721E+03 -0.883673E-07 0.100000E-04    0.999663E+00
  36    0.158493E-04    0.264088E+03 -0.600154E-07 0.100000E-04    0.994749E+00
  37   -0.168467E-04    0.259339E+03  0.649601E-07 0.100000E-04    0.996466E+00
  38   -0.177061E-05    0.253880E+03  0.697419E-08 0.100000E-04    0.973962E+00
  39   -0.185057E-04    0.242343E+03  0.763616E-07 0.100000E-04    0.997333E+00
  40   -0.668195E-05    0.238048E+03  0.280697E-07 0.100000E-04    0.964174E+00
  41   -0.358105E-04    0.235294E+03  0.152195E-06 0.100000E-04    0.996325E+00
  42   -0.105372E-04    0.228575E+03  0.460997E-07 0.100000E-04    0.994417E+00
  43   -0.123989E-04    0.220556E+03  0.562164E-07 0.100000E-04    0.995936E+00
  44   -0.222262E-04    0.213621E+03  0.104045E-06 0.100000E-04    0.995502E+00
  45    0.937455E-06    0.212192E+03 -0.441796E-08 0.100000E-04    0.940955E+00
  46    0.218881E-04    0.207476E+03 -0.105497E-06 0.100000E-04    0.995588E+00
  47   -0.294794E-04    0.203521E+03  0.144847E-06 0.100000E-04    0.999756E+00
  48    0.414863E-05    0.197627E+03 -0.209922E-07 0.100000E-04    0.992735E+00
  49   -0.229032E-04    0.195333E+03  0.117252E-06 0.100000E-04    0.998347E+00
  50    0.947044E-05    0.191550E+03 -0.494411E-07 0.100000E-04    0.990091E+00
  51   -0.149580E-04    0.184468E+03  0.810872E-07 0.100000E-04    0.999495E+00
  52    0.264717E-05    0.175297E+03 -0.151011E-07 0.100000E-04    0.994545E+00
  53   -0.120521E-04    0.171739E+03  0.701771E-07 0.100000E-04    0.997287E+00
  54   -0.155393E-04    0.167550E+03  0.927441E-07 0.100000E-04    0.996896E+00
  55    0.197656E-04    0.165158E+03 -0.119677E-06 0.100000E-04    0.999002E+00
  56    0.593371E-05    0.159196E+03 -0.372731E-07 0.100000E-04    0.991850E+00
  57   -0.892400E-05    0.153869E+03  0.579975E-07 0.100000E-04    0.994610E+00
  58   -0.227883E-04    0.151234E+03  0.150682E-06 0.100000E-04    0.997445E+00
  59    0.792604E-07    0.148800E+03 -0.532663E-09 0.100000E-04    0.434281E+00
  60   -0.210708E-04    0.143225E+03  0.147117E-06 0.100000E-04    0.999309E+00
  61    0.246120E-04    0.137067E+03 -0.179562E-06 0.100000E-04    0.992356E+00
  62    0.306159E-04    0.135755E+03 -0.225524E-06 0.100000E-04    0.999787E+00
  63    0.229479E-04    0.130700E+03 -0.175577E-06 0.100000E-04    0.996353E+00
  64   -0.228203E-04    0.127970E+03  0.178326E-06 0.100000E-04    0.994168E+00
  65    0.136569E-04    0.126074E+03 -0.108324E-06 0.100000E-04    0.980443E+00
  66   -0.236886E-04    0.125591E+03  0.188617E-06 0.100000E-04    0.997936E+00
  67    0.600222E-05    0.119705E+03 -0.501417E-07 0.100000E-04    0.996696E+00
  68    0.895736E-05    0.118052E+03 -0.758765E-07 0.100000E-04    0.997990E+00
  69   -0.514935E-05    0.116989E+03  0.440156E-07 0.100000E-04    0.989089E+00
  70    0.241457E-04    0.111143E+03 -0.217249E-06 0.100000E-04    0.999211E+00
  71    0.509078E-05    0.108054E+03 -0.471133E-07 0.100000E-04    0.993646E+00
  72    0.532420E-04    0.104818E+03 -0.507949E-06 0.100000E-04    0.994111E+00
  73   -0.260424E-04    0.103074E+03  0.252658E-06 0.100000E-04    0.997374E+00
  74    0.293639E-04    0.998064E+02 -0.294208E-06 0.100000E-04    0.998477E+00
  75   -0.659689E-04    0.960229E+02  0.687012E-06 0.100000E-04    0.994730E+00
  76    0.153122E-04    0.949602E+02 -0.161249E-06 0.100000E-04    0.969912E+00
  77    0.608579E-04    0.926859E+02 -0.656604E-06 0.100000E-04    0.998004E+00
  78   -0.277249E-06    0.904300E+02  0.306590E-08 0.100000E-04    0.967567E+00
  79   -0.114952E-04    0.897883E+02  0.128026E-06 0.100000E-04    0.998957E+00
  80   -0.210917E-04    0.849332E+02  0.248333E-06 0.100000E-04    0.999506E+00
  81    0.208098E-04    0.809165E+02 -0.257176E-06 0.100000E-04    0.996545E+00
  82    0.735541E-06    0.797643E+02 -0.922143E-08 0.100000E-04    0.904135E+00
  83   -0.154297E-04    0.783170E+02  0.197016E-06 0.100000E-04    0.994776E+00
  84   -0.369392E-04    0.727583E+02  0.507698E-06 0.100000E-04    0.993521E+00
  85    0.435369E-04    0.721235E+02 -0.603644E-06 0.100000E-04    0.996552E+00
  86   -0.994123E-06    0.682902E+02  0.145573E-07 0.100000E-04    0.824236E+00
  87   -0.421637E-04    0.668109E+02  0.631090E-06 0.100000E-04    0.999288E+00
  88   -0.362205E-05    0.632637E+02  0.572532E-07 0.100000E-04    0.975762E+00
  89   -0.523573E-04    0.603215E+02  0.867971E-06 0.100000E-04    0.999918E+00
  90    0.313144E-04    0.597160E+02 -0.524388E-06 0.100000E-04    0.986835E+00
  91   -0.293897E-05    0.590568E+02  0.497652E-07 0.100000E-04    0.951476E+00
  92   -0.604813E-04    0.560253E+02  0.107953E-05 0.100000E-04    0.999195E+00
  93    0.315549E-04    0.528525E+02 -0.597036E-06 0.100000E-04    0.998673E+00
  94   -0.447250E-04    0.522715E+02  0.855628E-06 0.100000E-04    0.994522E+00
  95    0.256453E-04    0.501003E+02 -0.511879E-06 0.100000E-04    0.997965E+00
  96    0.865908E-05    0.476247E+02 -0.181819E-06 0.100000E-04    0.985080E+00
  97    0.407685E-04    0.429060E+02 -0.950182E-06 0.100000E-04    0.994344E+00
  98   -0.399144E-04    0.403397E+02  0.989457E-06 0.100000E-04    0.994884E+00
  99    0.118964E-03    0.373355E+02 -0.318634E-05 0.100000E-04    0.996003E+00
 100    0.104173E-03    0.360986E+02 -0.288578E-05 0.100000E-04    0.996897E+00
 101   -0.167811E-04    0.348479E+02  0.481552E-06 0.100000E-04    0.975290E+00
 102    0.971151E-04    0.288236E+02 -0.336929E-05 0.100000E-04    0.996609E+00
 103   -0.104347E-04    0.286764E+02  0.363877E-06 0.100000E-04    0.956627E+00
 104    0.784628E-04    0.276526E+02 -0.283745E-05 0.100000E-04    0.988705E+00
 105   -0.544622E-04    0.229547E+02  0.237259E-05 0.100000E-04    0.999145E+00
 106   -0.123298E-04    0.215024E+02  0.573417E-06 0.100000E-04    0.917917E+00
 107   -0.115874E-03    0.203098E+02  0.570533E-05 0.100000E-04    0.993720E+00
 108    0.886018E-05    0.168210E+02 -0.526735E-06 0.100000E-04    0.935610E+00
 109    0.742523E-04    0.137829E+02 -0.538726E-05 0.100000E-04    0.997914E+00
 110   -0.504704E-02    0.122546E+02  0.100000E-04 0.100000E-04    0.472568E+00
 111    0.406577E-02    0.986670E+01 -0.100000E-04 0.100000E-04    0.743988E+00
 112    0.531331E-02    0.907544E+01 -0.100000E-04 0.100000E-04    0.344512E+00
 113   -0.195647E-01    0.725245E+01  0.142531E-04 0.142531E-04    0.259636E-01
 114    0.621808E+00    0.431977E+01  0.400000E-03 0.400000E-03    0.490481E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1410796596    

 Beginning of optimization cycle  312.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3610449656
 potential> RMS force:                                               0.0584328748   |gradient|=.6238923772    
 Eigenvalues of the Hessian matrix:
   732.34556    673.42804    626.75377    604.27670    588.43463    570.72812 
   566.80286    482.49980    465.43898    461.41872    441.37013    429.80443 
   421.75936    407.82915    397.47745    388.84331    367.78286    361.89627 
   350.96399    336.52648    325.72178    321.47766    320.15081    313.08673 
   304.14715    288.43460    278.87280    270.72413    266.72951    264.09567 
   259.35193    253.88226    242.33861    238.05890    235.28212    228.57195 
   220.53533    213.62918    212.19730    207.46908    203.52316    197.62123 
   195.32977    191.54861    184.45749    175.28517    171.74469    167.55004 
   165.15171    159.18572    153.87360    151.23935    148.79311    143.22738 
   137.06891    135.75845    130.69802    127.97411    126.07572    125.59056 
   119.70693    118.05282    116.99088    111.13657    108.04484    104.81451 
   103.07445     99.80482     96.01588     94.95478     92.69861     90.43288 
    89.78534     84.93604     80.91638     79.76673     78.31575     72.75950 
    72.12809     68.28992     66.79824     63.26108     60.31225     59.71678 
    59.05758     56.02601     52.84883     52.27235     50.09897     47.62081 
    42.90454     40.34220     37.33975     36.10223     34.83630     28.82312 
    28.67524     27.64439     22.95613     21.49643     20.31460     16.82068 
    13.78329     12.25417      9.86793      9.06749      7.24700      4.31519 
overlap for current and previous eigenvector    109 is        -0.9999996054
overlap for current and previous eigenvector    110 is        -0.9999994734
overlap for current and previous eigenvector    111 is         0.9999952226
overlap for current and previous eigenvector    112 is        -0.9999893125
overlap for current and previous eigenvector    113 is        -0.9999939386
overlap for current and previous eigenvector    114 is        -0.9999997151
J1,K1,R1,R2,RAT=   7   7   -0.7015042495E-02     2.006845128        0.9929849575    
FOB,PFOB,DIAG,PSTEP=   -0.3725996055E-05   -0.3700037927E-05     732.3455576        0.5052740828E-08
J1,K1,R1,R2,RAT=   8   8   -0.8354692721E-02     2.008327151        0.9916453073    
FOB,PFOB,DIAG,PSTEP=   -0.4397285773E-05   -0.4360851695E-05     673.4280379        0.6475690799E-08
J1,K1,R1,R2,RAT=   9   9   -0.8833535586E-02     2.008794517        0.9911664644    
FOB,PFOB,DIAG,PSTEP=    0.3960923885E-07    0.3926240622E-07     626.7537730       -0.6264529056E-10
J1,K1,R1,R2,RAT=  10  10    0.7333225423E-02     1.992687532        0.9926667746    
FOB,PFOB,DIAG,PSTEP=    0.1925436472E-05    0.1939660291E-05     604.2767003       -0.3209854292E-08
J1,K1,R1,R2,RAT=  11  11   -0.7718171363E-02     2.007751153        0.9922818286    
FOB,PFOB,DIAG,PSTEP=   -0.1375620197E-05   -0.1365084415E-05     588.4346321        0.2319819110E-08
J1,K1,R1,R2,RAT= 109 109     1.994851895        0.5099290602E-02    0.9948518950    
FOB,PFOB,DIAG,PSTEP=   -0.7387364582E-04    0.7425228906E-04     13.78328520       -0.5387257126E-05
J1,K1,R1,R2,RAT= 110 110     82.89670684       -0.5240318192        0.4759681808    
FOB,PFOB,DIAG,PSTEP=    0.5111260357E-02   -0.5047044597E-02     12.25417190        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2630303278         82.14063188        0.7369696722    
FOB,PFOB,DIAG,PSTEP=    0.4039811553E-02    0.4065767198E-02     9.867928411       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     117.9964637       -0.8017981183        0.1982018817    
FOB,PFOB,DIAG,PSTEP=   -0.5386012223E-02    0.5313309232E-02     9.067493314       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     379.6389900       -0.8173732043        0.1826267957    
FOB,PFOB,DIAG,PSTEP=    0.1964916767E-01   -0.1956473904E-01     7.247003269        0.1425314964E-04
J1,K1,R1,R2,RAT= 114 114    -721.4830933        0.9950685039        0.4931496075E-02
FOB,PFOB,DIAG,PSTEP=   -0.6235254949        0.6218079327         4.315185758        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000      0.00001      0.00002 
    -0.00002      0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00002      0.00003      0.00002     -0.00002     -0.00001      0.00002 
    -0.00001     -0.00001     -0.00001      0.00002      0.00001     -0.00005 
    -0.00003     -0.00003      0.00007      0.00001     -0.00006     -0.00000 
    -0.00001     -0.00002     -0.00002     -0.00000     -0.00002      0.00004 
     0.00004     -0.00000      0.00004      0.00000     -0.00005     -0.00003 
     0.00000      0.00006     -0.00003     -0.00004      0.00003      0.00001 
    -0.00004     -0.00004     -0.00012     -0.00010      0.00002     -0.00010 
     0.00001      0.00008     -0.00005      0.00001      0.00012      0.00001 
    -0.00007      0.00511      0.00404     -0.00539      0.01965     -0.62353 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4283722377
 Log product of positive Hessian eigenvalues =          519.8822820384
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3151857580
 Unscaled step for mode    7=        0.0000000051
 Unscaled step for mode    8=        0.0000000065
 Unscaled step for mode    9=       -0.0000000001
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000024
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000048
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000121
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000367
 Unscaled step for mode   20=       -0.0000000195
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000167
 Unscaled step for mode   23=       -0.0000000006
 Unscaled step for mode   24=        0.0000000032
 Unscaled step for mode   25=        0.0000000542
 Unscaled step for mode   26=        0.0000000933
 Unscaled step for mode   27=        0.0000000486
 Unscaled step for mode   28=       -0.0000000376
 Unscaled step for mode   29=       -0.0000000219
 Unscaled step for mode   30=        0.0000000781
 Unscaled step for mode   31=        0.0000000427
 Unscaled step for mode   32=        0.0000000194
 Unscaled step for mode   33=       -0.0000000397
 Unscaled step for mode   34=       -0.0000000340
 Unscaled step for mode   35=       -0.0000000885
 Unscaled step for mode   36=       -0.0000000603
 Unscaled step for mode   37=        0.0000000652
 Unscaled step for mode   38=        0.0000000069
 Unscaled step for mode   39=        0.0000000765
 Unscaled step for mode   40=        0.0000000288
 Unscaled step for mode   41=        0.0000001527
 Unscaled step for mode   42=        0.0000000463
 Unscaled step for mode   43=        0.0000000567
 Unscaled step for mode   44=        0.0000001047
 Unscaled step for mode   45=       -0.0000000041
 Unscaled step for mode   46=       -0.0000001060
 Unscaled step for mode   47=        0.0000001450
 Unscaled step for mode   48=       -0.0000000212
 Unscaled step for mode   49=        0.0000001178
 Unscaled step for mode   50=       -0.0000000491
 Unscaled step for mode   51=        0.0000000815
 Unscaled step for mode   52=       -0.0000000153
 Unscaled step for mode   53=       -0.0000000704
 Unscaled step for mode   54=       -0.0000000934
 Unscaled step for mode   55=        0.0000001198
 Unscaled step for mode   56=       -0.0000000370
 Unscaled step for mode   57=       -0.0000000585
 Unscaled step for mode   58=        0.0000001510
 Unscaled step for mode   59=        0.0000000004
 Unscaled step for mode   60=        0.0000001478
 Unscaled step for mode   61=       -0.0000001802
 Unscaled step for mode   62=       -0.0000002251
 Unscaled step for mode   63=       -0.0000001752
 Unscaled step for mode   64=        0.0000001796
 Unscaled step for mode   65=        0.0000001101
 Unscaled step for mode   66=       -0.0000001874
 Unscaled step for mode   67=        0.0000000506
 Unscaled step for mode   68=        0.0000000760
 Unscaled step for mode   69=        0.0000000441
 Unscaled step for mode   70=       -0.0000002184
 Unscaled step for mode   71=       -0.0000000473
 Unscaled step for mode   72=        0.0000005092
 Unscaled step for mode   73=        0.0000002536
 Unscaled step for mode   74=        0.0000002934
 Unscaled step for mode   75=       -0.0000006909
 Unscaled step for mode   76=       -0.0000001569
 Unscaled step for mode   77=        0.0000006559
 Unscaled step for mode   78=        0.0000000050
 Unscaled step for mode   79=        0.0000001261
 Unscaled step for mode   80=        0.0000002493
 Unscaled step for mode   81=        0.0000002576
 Unscaled step for mode   82=        0.0000000069
 Unscaled step for mode   83=        0.0000001985
 Unscaled step for mode   84=       -0.0000005088
 Unscaled step for mode   85=       -0.0000006028
 Unscaled step for mode   86=        0.0000000109
 Unscaled step for mode   87=       -0.0000006326
 Unscaled step for mode   88=       -0.0000000578
 Unscaled step for mode   89=        0.0000008688
 Unscaled step for mode   90=        0.0000005270
 Unscaled step for mode   91=       -0.0000000515
 Unscaled step for mode   92=       -0.0000010824
 Unscaled step for mode   93=        0.0000005927
 Unscaled step for mode   94=        0.0000008564
 Unscaled step for mode   95=       -0.0000005068
 Unscaled step for mode   96=       -0.0000001813
 Unscaled step for mode   97=        0.0000009497
 Unscaled step for mode   98=        0.0000009931
 Unscaled step for mode   99=        0.0000031874
 Unscaled step for mode  100=        0.0000028816
 Unscaled step for mode  101=       -0.0000004840
 Unscaled step for mode  102=        0.0000033688
 Unscaled step for mode  103=       -0.0000003798
 Unscaled step for mode  104=       -0.0000028358
 Unscaled step for mode  105=        0.0000023860
 Unscaled step for mode  106=       -0.0000005524
 Unscaled step for mode  107=       -0.0000057165
 Unscaled step for mode  108=       -0.0000005095
 Unscaled step for mode  109=        0.0000053597
 Unscaled step for mode  110=       -0.0004171036
 Unscaled step for mode  111=       -0.0004093879
 Unscaled step for mode  112=        0.0005939911
 Unscaled step for mode  113=       -0.0027113308
 Unscaled step for mode  114=       -0.1415984764
 Largest modulus ratio of non-zero e/values=           169.7135648    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.601732E-15    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.830499E-16    0.100716E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.383912E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.202963E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.196891E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.353694E-15    0.973869E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.372600E-05    0.732346E+03  0.508776E-08 0.100000E-04    0.992985E+00
   8   -0.439729E-05    0.673428E+03  0.652970E-08 0.100000E-04    0.991645E+00
   9    0.396092E-07    0.626754E+03 -0.631974E-10 0.100000E-04    0.991166E+00
  10    0.192544E-05    0.604277E+03 -0.318635E-08 0.100000E-04    0.992667E+00
  11   -0.137562E-05    0.588435E+03  0.233776E-08 0.100000E-04    0.992282E+00
  12   -0.138871E-05    0.570728E+03  0.243322E-08 0.100000E-04    0.968726E+00
  13   -0.345737E-05    0.566803E+03  0.609978E-08 0.100000E-04    0.991684E+00
  14   -0.230327E-05    0.482500E+03  0.477361E-08 0.100000E-04    0.981113E+00
  15    0.181564E-05    0.465439E+03 -0.390091E-08 0.100000E-04    0.987485E+00
  16    0.560491E-05    0.461419E+03 -0.121471E-07 0.100000E-04    0.997342E+00
  17    0.425403E-05    0.441370E+03 -0.963824E-08 0.100000E-04    0.999396E+00
  18    0.499016E-05    0.429804E+03 -0.116103E-07 0.100000E-04    0.995505E+00
  19   -0.154767E-04    0.421759E+03  0.366956E-07 0.100000E-04    0.997780E+00
  20    0.794836E-05    0.407829E+03 -0.194894E-07 0.100000E-04    0.997331E+00
  21    0.725085E-05    0.397477E+03 -0.182422E-07 0.100000E-04    0.999017E+00
  22   -0.649461E-05    0.388843E+03  0.167024E-07 0.100000E-04    0.996732E+00
  23    0.228158E-06    0.367783E+03 -0.620361E-09 0.100000E-04    0.929944E+00
  24   -0.116096E-05    0.361896E+03  0.320800E-08 0.100000E-04    0.985729E+00
  25   -0.190106E-04    0.350964E+03  0.541669E-07 0.100000E-04    0.996833E+00
  26   -0.313829E-04    0.336526E+03  0.932555E-07 0.100000E-04    0.998168E+00
  27   -0.158310E-04    0.325722E+03  0.486028E-07 0.100000E-04    0.996937E+00
  28    0.120999E-04    0.321478E+03 -0.376384E-07 0.100000E-04    0.991985E+00
  29    0.702232E-05    0.320151E+03 -0.219344E-07 0.100000E-04    0.985748E+00
  30   -0.244428E-04    0.313087E+03  0.780705E-07 0.100000E-04    0.998264E+00
  31   -0.129826E-04    0.304147E+03  0.426853E-07 0.100000E-04    0.991982E+00
  32   -0.559273E-05    0.288435E+03  0.193900E-07 0.100000E-04    0.998186E+00
  33    0.110843E-04    0.278873E+03 -0.397466E-07 0.100000E-04    0.999348E+00
  34    0.919397E-05    0.270724E+03 -0.339607E-07 0.100000E-04    0.995598E+00
  35    0.235999E-04    0.266730E+03 -0.884789E-07 0.100000E-04    0.998703E+00
  36    0.159178E-04    0.264096E+03 -0.602729E-07 0.100000E-04    0.995680E+00
  37   -0.169073E-04    0.259352E+03  0.651904E-07 0.100000E-04    0.996403E+00
  38   -0.174020E-05    0.253882E+03  0.685436E-08 0.100000E-04    0.982809E+00
  39   -0.185343E-04    0.242339E+03  0.764810E-07 0.100000E-04    0.998455E+00
  40   -0.686711E-05    0.238059E+03  0.288463E-07 0.100000E-04    0.972290E+00
  41   -0.359307E-04    0.235282E+03  0.152713E-06 0.100000E-04    0.996643E+00
  42   -0.105869E-04    0.228572E+03  0.463177E-07 0.100000E-04    0.995284E+00
  43   -0.124982E-04    0.220535E+03  0.566721E-07 0.100000E-04    0.991986E+00
  44   -0.223581E-04    0.213629E+03  0.104658E-06 0.100000E-04    0.994068E+00
  45    0.878268E-06    0.212197E+03 -0.413892E-08 0.100000E-04    0.936813E+00
  46    0.220003E-04    0.207469E+03 -0.106041E-06 0.100000E-04    0.994875E+00
  47   -0.295124E-04    0.203523E+03  0.145008E-06 0.100000E-04    0.998880E+00
  48    0.418657E-05    0.197621E+03 -0.211848E-07 0.100000E-04    0.990854E+00
  49   -0.230145E-04    0.195330E+03  0.117824E-06 0.100000E-04    0.995139E+00
  50    0.941056E-05    0.191549E+03 -0.491288E-07 0.100000E-04    0.993678E+00
  51   -0.150423E-04    0.184457E+03  0.815489E-07 0.100000E-04    0.994361E+00
  52    0.268975E-05    0.175285E+03 -0.153450E-07 0.100000E-04    0.983911E+00
  53    0.120987E-04    0.171745E+03 -0.704459E-07 0.100000E-04    0.996136E+00
  54    0.156528E-04    0.167550E+03 -0.934214E-07 0.100000E-04    0.992699E+00
  55   -0.197852E-04    0.165152E+03  0.119800E-06 0.100000E-04    0.999006E+00
  56    0.588326E-05    0.159186E+03 -0.369585E-07 0.100000E-04    0.991498E+00
  57    0.899464E-05    0.153874E+03 -0.584547E-07 0.100000E-04    0.992084E+00
  58   -0.228405E-04    0.151239E+03  0.151022E-06 0.100000E-04    0.997710E+00
  59   -0.571782E-07    0.148793E+03  0.384280E-09 0.100000E-04    0.721384E+00
  60   -0.211635E-04    0.143227E+03  0.147761E-06 0.100000E-04    0.995605E+00
  61    0.247031E-04    0.137069E+03 -0.180224E-06 0.100000E-04    0.996299E+00
  62    0.305606E-04    0.135758E+03 -0.225110E-06 0.100000E-04    0.998140E+00
  63    0.229047E-04    0.130698E+03 -0.175249E-06 0.100000E-04    0.998116E+00
  64   -0.229823E-04    0.127974E+03  0.179585E-06 0.100000E-04    0.992903E+00
  65   -0.138844E-04    0.126076E+03  0.110128E-06 0.100000E-04    0.983338E+00
  66    0.235393E-04    0.125591E+03 -0.187429E-06 0.100000E-04    0.993696E+00
  67   -0.606212E-05    0.119707E+03  0.506413E-07 0.100000E-04    0.990020E+00
  68   -0.897021E-05    0.118053E+03  0.759847E-07 0.100000E-04    0.998566E+00
  69   -0.515682E-05    0.116991E+03  0.440788E-07 0.100000E-04    0.998550E+00
  70    0.242731E-04    0.111137E+03 -0.218408E-06 0.100000E-04    0.994723E+00
  71    0.510811E-05    0.108045E+03 -0.472777E-07 0.100000E-04    0.996594E+00
  72   -0.533760E-04    0.104815E+03  0.509242E-06 0.100000E-04    0.997483E+00
  73   -0.261359E-04    0.103074E+03  0.253563E-06 0.100000E-04    0.996409E+00
  74   -0.292872E-04    0.998048E+02  0.293444E-06 0.100000E-04    0.997388E+00
  75    0.663406E-04    0.960159E+02 -0.690934E-06 0.100000E-04    0.994364E+00
  76    0.148985E-04    0.949548E+02 -0.156901E-06 0.100000E-04    0.972977E+00
  77   -0.608055E-04    0.926986E+02  0.655948E-06 0.100000E-04    0.998864E+00
  78   -0.456407E-06    0.904329E+02  0.504691E-08 0.100000E-04    0.353825E+00
  79   -0.113211E-04    0.897853E+02  0.126091E-06 0.100000E-04    0.984853E+00
  80   -0.211738E-04    0.849360E+02  0.249291E-06 0.100000E-04    0.996108E+00
  81   -0.208435E-04    0.809164E+02  0.257593E-06 0.100000E-04    0.998379E+00
  82   -0.546872E-06    0.797667E+02  0.685589E-08 0.100000E-04    0.743442E+00
  83   -0.155493E-04    0.783158E+02  0.198547E-06 0.100000E-04    0.992248E+00
  84    0.370222E-04    0.727595E+02 -0.508830E-06 0.100000E-04    0.997754E+00
  85    0.434799E-04    0.721281E+02 -0.602815E-06 0.100000E-04    0.998562E+00
  86   -0.742933E-06    0.682899E+02  0.108791E-07 0.100000E-04    0.747324E+00
  87    0.422596E-04    0.667982E+02 -0.632645E-06 0.100000E-04    0.997725E+00
  88    0.365690E-05    0.632611E+02 -0.578064E-07 0.100000E-04    0.990379E+00
  89   -0.524002E-04    0.603123E+02  0.868816E-06 0.100000E-04    0.999180E+00
  90   -0.314728E-04    0.597168E+02  0.527035E-06 0.100000E-04    0.994941E+00
  91    0.303854E-05    0.590576E+02 -0.514504E-07 0.100000E-04    0.966122E+00
  92    0.606402E-04    0.560260E+02 -0.108236E-05 0.100000E-04    0.997373E+00
  93   -0.313214E-04    0.528488E+02  0.592661E-06 0.100000E-04    0.992602E+00
  94   -0.447655E-04    0.522723E+02  0.856391E-06 0.100000E-04    0.999093E+00
  95    0.253886E-04    0.500990E+02 -0.506769E-06 0.100000E-04    0.989990E+00
  96    0.863426E-05    0.476208E+02 -0.181313E-06 0.100000E-04    0.997133E+00
  97   -0.407447E-04    0.429045E+02  0.949660E-06 0.100000E-04    0.999418E+00
  98   -0.400638E-04    0.403422E+02  0.993099E-06 0.100000E-04    0.996258E+00
  99   -0.119018E-03    0.373398E+02  0.318743E-05 0.100000E-04    0.999543E+00
 100   -0.104031E-03    0.361022E+02  0.288156E-05 0.100000E-04    0.998435E+00
 101    0.168610E-04    0.348363E+02 -0.484006E-06 0.100000E-04    0.995239E+00
 102   -0.971002E-04    0.288231E+02  0.336883E-05 0.100000E-04    0.999846E+00
 103    0.108901E-04    0.286752E+02 -0.379775E-06 0.100000E-04    0.956349E+00
 104    0.783944E-04    0.276444E+02 -0.283582E-05 0.100000E-04    0.999128E+00
 105   -0.547739E-04    0.229561E+02  0.238602E-05 0.100000E-04    0.994278E+00
 106    0.118749E-04    0.214964E+02 -0.552411E-06 0.100000E-04    0.963091E+00
 107    0.116129E-03    0.203146E+02 -0.571652E-05 0.100000E-04    0.997802E+00
 108    0.856958E-05    0.168207E+02 -0.509467E-06 0.100000E-04    0.967201E+00
 109   -0.738736E-04    0.137833E+02  0.535965E-05 0.100000E-04    0.994852E+00
 110    0.511126E-02    0.122542E+02 -0.100000E-04 0.100000E-04    0.475968E+00
 111    0.403981E-02    0.986793E+01 -0.100000E-04 0.100000E-04    0.736970E+00
 112   -0.538601E-02    0.906749E+01  0.109000E-04 0.109000E-04    0.198202E+00
 113    0.196492E-01    0.724700E+01 -0.155359E-04 0.155359E-04    0.182627E+00
 114   -0.623525E+00    0.431519E+01 -0.400000E-03 0.400000E-03    0.493150E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1415984764    

 Beginning of optimization cycle  313.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3607956649
 potential> RMS force:                                               0.0585937779   |gradient|=.6256103514    
 Eigenvalues of the Hessian matrix:
   732.40783    673.43721    626.76610    604.27028    588.42489    570.77107 
   566.80985    482.52465    465.41564    461.41164    441.37123    429.79675 
   421.76391    407.83735    397.47238    388.84268    367.78965    361.88737 
   350.95665    336.50505    325.73345    321.47588    320.15770    313.06109 
   304.13629    288.44311    278.86757    270.72563    266.73837    264.10364 
   259.36518    253.88419    242.33425    238.06952    235.27048    228.56874 
   220.51471    213.63704    212.20306    207.46222    203.52508    197.61517 
   195.32673    191.54747    184.44736    175.27363    171.75061    167.54977 
   165.14538    159.17574    153.87850    151.24441    148.78582    143.22976 
   137.07100    135.76199    130.69632    127.97840    126.07712    125.59014 
   119.70880    118.05376    116.99259    111.13045    108.03578    104.81146 
   103.07529     99.80325     96.00891     94.94918     92.71133     90.43587 
    89.78228     84.93892     80.91631     79.76920     78.31447     72.76074 
    72.13269     68.28959     66.78556     63.25839     60.30302     59.71751 
    59.05840     56.02672     52.84517     52.27316     50.09767     47.61685 
    42.90317     40.34468     37.34404     36.10586     34.82463     28.82264 
    28.67410     27.63619     22.95756     21.49048     20.31941     16.82041 
    13.78363     12.25379      9.86917      9.05970      7.24150      4.31058 
overlap for current and previous eigenvector    109 is        -0.9999996120
overlap for current and previous eigenvector    110 is        -0.9999994763
overlap for current and previous eigenvector    111 is        -0.9999955155
overlap for current and previous eigenvector    112 is        -0.9999896487
overlap for current and previous eigenvector    113 is         0.9999939752
overlap for current and previous eigenvector    114 is        -0.9999997102
J1,K1,R1,R2,RAT=   7   7   -0.7637442169E-02     2.007467401        0.9923625578    
FOB,PFOB,DIAG,PSTEP=   -0.3754455554E-05   -0.3725996055E-05     732.4078273        0.5087756752E-08
J1,K1,R1,R2,RAT=   8   8   -0.7693175063E-02     2.007665932        0.9923068249    
FOB,PFOB,DIAG,PSTEP=   -0.4431115323E-05   -0.4397285773E-05     673.4372112        0.6529704029E-08
J1,K1,R1,R2,RAT=   9   9    0.8522686206         1.147692046        0.1476920458    
FOB,PFOB,DIAG,PSTEP=    0.5850863572E-08    0.3960923885E-07     626.7660995       -0.6319744780E-10
J1,K1,R1,R2,RAT=  10  10    0.2614139450E-02     1.997407116        0.9973858605    
FOB,PFOB,DIAG,PSTEP=    0.1920403166E-05    0.1925436472E-05     604.2702784       -0.3186349021E-08
J1,K1,R1,R2,RAT=  11  11    0.1116840159E-01     1.988864724        0.9888315984    
FOB,PFOB,DIAG,PSTEP=   -0.1360256973E-05   -0.1375620197E-05     588.4248860        0.2337762127E-08
J1,K1,R1,R2,RAT= 109 109     2.006886207       -0.6936207097E-02    0.9930637929    
FOB,PFOB,DIAG,PSTEP=    0.7438606154E-04   -0.7387364582E-04     13.78362978        0.5359654448E-05
J1,K1,R1,R2,RAT= 110 110     83.94100721       -0.5176970541        0.4823029459    
FOB,PFOB,DIAG,PSTEP=   -0.5174697888E-02    0.5111260357E-02     12.25379417       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     81.61316791        0.2541094919        0.7458905081    
FOB,PFOB,DIAG,PSTEP=   -0.4014733048E-02    0.4039811553E-02     9.869172840       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     109.7935695       -0.7105802784        0.2894197216    
FOB,PFOB,DIAG,PSTEP=    0.5456182542E-02   -0.5386012223E-02     9.059699685        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7335331445         350.0412428        0.2664668555    
FOB,PFOB,DIAG,PSTEP=    0.1973169270E-01    0.1964916767E-01     7.241501755       -0.1553593311E-04
J1,K1,R1,R2,RAT= 114 114    -724.2449001        0.9948861233        0.5113876743E-02
FOB,PFOB,DIAG,PSTEP=    0.6252409096       -0.6235254949         4.310580594       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000     -0.00001     -0.00002 
    -0.00002     -0.00001     -0.00001      0.00002      0.00000     -0.00002 
     0.00002     -0.00003     -0.00002      0.00002      0.00001     -0.00002 
     0.00001     -0.00001     -0.00001     -0.00002      0.00001      0.00005 
    -0.00003     -0.00003      0.00007     -0.00001      0.00006     -0.00000 
    -0.00001     -0.00002     -0.00002     -0.00000     -0.00002      0.00004 
    -0.00004      0.00000      0.00004      0.00000     -0.00005     -0.00003 
    -0.00000     -0.00006      0.00003      0.00004     -0.00003      0.00001 
    -0.00004      0.00004      0.00012      0.00010     -0.00002      0.00010 
    -0.00001     -0.00008     -0.00005      0.00001      0.00012      0.00001 
     0.00007     -0.00517     -0.00401      0.00546      0.01973      0.62524 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4282364475
 Log product of positive Hessian eigenvalues =          519.8786786119
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3105805936
 Unscaled step for mode    7=        0.0000000051
 Unscaled step for mode    8=        0.0000000066
 Unscaled step for mode    9=       -0.0000000000
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000026
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000047
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000122
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000368
 Unscaled step for mode   20=       -0.0000000194
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000169
 Unscaled step for mode   23=       -0.0000000008
 Unscaled step for mode   24=        0.0000000034
 Unscaled step for mode   25=        0.0000000543
 Unscaled step for mode   26=        0.0000000934
 Unscaled step for mode   27=        0.0000000487
 Unscaled step for mode   28=       -0.0000000379
 Unscaled step for mode   29=       -0.0000000223
 Unscaled step for mode   30=        0.0000000783
 Unscaled step for mode   31=        0.0000000430
 Unscaled step for mode   32=        0.0000000196
 Unscaled step for mode   33=       -0.0000000399
 Unscaled step for mode   34=       -0.0000000342
 Unscaled step for mode   35=       -0.0000000887
 Unscaled step for mode   36=       -0.0000000608
 Unscaled step for mode   37=        0.0000000654
 Unscaled step for mode   38=        0.0000000067
 Unscaled step for mode   39=        0.0000000766
 Unscaled step for mode   40=        0.0000000299
 Unscaled step for mode   41=        0.0000001535
 Unscaled step for mode   42=        0.0000000469
 Unscaled step for mode   43=        0.0000000571
 Unscaled step for mode   44=        0.0000001056
 Unscaled step for mode   45=       -0.0000000040
 Unscaled step for mode   46=       -0.0000001067
 Unscaled step for mode   47=        0.0000001454
 Unscaled step for mode   48=       -0.0000000212
 Unscaled step for mode   49=        0.0000001184
 Unscaled step for mode   50=       -0.0000000487
 Unscaled step for mode   51=        0.0000000818
 Unscaled step for mode   52=       -0.0000000155
 Unscaled step for mode   53=        0.0000000705
 Unscaled step for mode   54=        0.0000000939
 Unscaled step for mode   55=        0.0000001201
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000585
 Unscaled step for mode   58=       -0.0000001514
 Unscaled step for mode   59=       -0.0000000002
 Unscaled step for mode   60=        0.0000001479
 Unscaled step for mode   61=       -0.0000001807
 Unscaled step for mode   62=        0.0000002248
 Unscaled step for mode   63=        0.0000001748
 Unscaled step for mode   64=       -0.0000001806
 Unscaled step for mode   65=       -0.0000001114
 Unscaled step for mode   66=        0.0000001865
 Unscaled step for mode   67=       -0.0000000517
 Unscaled step for mode   68=        0.0000000759
 Unscaled step for mode   69=        0.0000000441
 Unscaled step for mode   70=        0.0000002197
 Unscaled step for mode   71=       -0.0000000478
 Unscaled step for mode   72=       -0.0000005113
 Unscaled step for mode   73=        0.0000002541
 Unscaled step for mode   74=        0.0000002929
 Unscaled step for mode   75=       -0.0000006945
 Unscaled step for mode   76=        0.0000001520
 Unscaled step for mode   77=       -0.0000006541
 Unscaled step for mode   78=        0.0000000055
 Unscaled step for mode   79=        0.0000001251
 Unscaled step for mode   80=        0.0000002493
 Unscaled step for mode   81=        0.0000002586
 Unscaled step for mode   82=        0.0000000045
 Unscaled step for mode   83=        0.0000001984
 Unscaled step for mode   84=       -0.0000005102
 Unscaled step for mode   85=        0.0000006013
 Unscaled step for mode   86=       -0.0000000079
 Unscaled step for mode   87=       -0.0000006317
 Unscaled step for mode   88=       -0.0000000605
 Unscaled step for mode   89=        0.0000008668
 Unscaled step for mode   90=        0.0000005293
 Unscaled step for mode   91=        0.0000000527
 Unscaled step for mode   92=        0.0000010829
 Unscaled step for mode   93=       -0.0000005888
 Unscaled step for mode   94=       -0.0000008592
 Unscaled step for mode   95=        0.0000005045
 Unscaled step for mode   96=       -0.0000001816
 Unscaled step for mode   97=        0.0000009458
 Unscaled step for mode   98=       -0.0000009953
 Unscaled step for mode   99=       -0.0000031852
 Unscaled step for mode  100=       -0.0000028686
 Unscaled step for mode  101=        0.0000004823
 Unscaled step for mode  102=       -0.0000033696
 Unscaled step for mode  103=        0.0000003989
 Unscaled step for mode  104=        0.0000028580
 Unscaled step for mode  105=        0.0000023790
 Unscaled step for mode  106=       -0.0000005350
 Unscaled step for mode  107=       -0.0000056733
 Unscaled step for mode  108=       -0.0000005290
 Unscaled step for mode  109=       -0.0000053967
 Unscaled step for mode  110=        0.0004222934
 Unscaled step for mode  111=        0.0004067952
 Unscaled step for mode  112=       -0.0006022474
 Unscaled step for mode  113=       -0.0027247865
 Unscaled step for mode  114=        0.1421183336
 Largest modulus ratio of non-zero e/values=           169.9093223    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.488758E-15    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.927969E-15    0.100716E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.229417E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.501877E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.793323E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.132392E-14    0.973870E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.375446E-05    0.732408E+03  0.512618E-08 0.100000E-04    0.992363E+00
   8   -0.443112E-05    0.673437E+03  0.657985E-08 0.100000E-04    0.992307E+00
   9    0.585086E-08    0.626766E+03 -0.933500E-11 0.109000E-04    0.147692E+00
  10    0.192040E-05    0.604270E+03 -0.317805E-08 0.100000E-04    0.997386E+00
  11   -0.136026E-05    0.588425E+03  0.231169E-08 0.100000E-04    0.988832E+00
  12   -0.147095E-05    0.570771E+03  0.257713E-08 0.100000E-04    0.940782E+00
  13   -0.345433E-05    0.566810E+03  0.609433E-08 0.100000E-04    0.999094E+00
  14   -0.224666E-05    0.482525E+03  0.465604E-08 0.100000E-04    0.975319E+00
  15    0.180346E-05    0.465416E+03 -0.387495E-08 0.100000E-04    0.993296E+00
  16    0.561984E-05    0.461412E+03 -0.121797E-07 0.100000E-04    0.997336E+00
  17    0.423630E-05    0.441371E+03 -0.959804E-08 0.100000E-04    0.995826E+00
  18    0.495890E-05    0.429797E+03 -0.115378E-07 0.100000E-04    0.993736E+00
  19   -0.155015E-04    0.421764E+03  0.367541E-07 0.100000E-04    0.998397E+00
  20    0.789480E-05    0.407837E+03 -0.193577E-07 0.100000E-04    0.993222E+00
  21    0.722225E-05    0.397472E+03 -0.181704E-07 0.100000E-04    0.996054E+00
  22   -0.656104E-05    0.388843E+03  0.168733E-07 0.100000E-04    0.989771E+00
  23    0.280899E-06    0.367790E+03 -0.763749E-09 0.100000E-04    0.768844E+00
  24   -0.121845E-05    0.361887E+03  0.336694E-08 0.100000E-04    0.950481E+00
  25   -0.190398E-04    0.350957E+03  0.542511E-07 0.100000E-04    0.998467E+00
  26   -0.314449E-04    0.336505E+03  0.934456E-07 0.100000E-04    0.998024E+00
  27   -0.158536E-04    0.325733E+03  0.486706E-07 0.100000E-04    0.998570E+00
  28    0.121831E-04    0.321476E+03 -0.378973E-07 0.100000E-04    0.993126E+00
  29    0.714987E-05    0.320158E+03 -0.223323E-07 0.100000E-04    0.981836E+00
  30   -0.245097E-04    0.313061E+03  0.782904E-07 0.100000E-04    0.997264E+00
  31   -0.130796E-04    0.304136E+03  0.430057E-07 0.100000E-04    0.992530E+00
  32   -0.566058E-05    0.288443E+03  0.196246E-07 0.100000E-04    0.987869E+00
  33    0.111192E-04    0.278868E+03 -0.398725E-07 0.100000E-04    0.996851E+00
  34    0.925511E-05    0.270726E+03 -0.341863E-07 0.100000E-04    0.993351E+00
  35    0.236530E-04    0.266738E+03 -0.886750E-07 0.100000E-04    0.997751E+00
  36    0.160481E-04    0.264104E+03 -0.607644E-07 0.100000E-04    0.991815E+00
  37   -0.169559E-04    0.259365E+03  0.653748E-07 0.100000E-04    0.997121E+00
  38   -0.169360E-05    0.253884E+03  0.667074E-08 0.100000E-04    0.973205E+00
  39   -0.185589E-04    0.242334E+03  0.765840E-07 0.100000E-04    0.998672E+00
  40   -0.711056E-05    0.238070E+03  0.298676E-07 0.100000E-04    0.964551E+00
  41   -0.361153E-04    0.235270E+03  0.153505E-06 0.100000E-04    0.994862E+00
  42   -0.107108E-04    0.228569E+03  0.468603E-07 0.100000E-04    0.988300E+00
  43   -0.125994E-04    0.220515E+03  0.571361E-07 0.100000E-04    0.991907E+00
  44   -0.225559E-04    0.213637E+03  0.105580E-06 0.100000E-04    0.991153E+00
  45    0.849659E-06    0.212203E+03 -0.400399E-08 0.100000E-04    0.967372E+00
  46    0.221282E-04    0.207462E+03 -0.106661E-06 0.100000E-04    0.994187E+00
  47   -0.295840E-04    0.203525E+03  0.145358E-06 0.100000E-04    0.997575E+00
  48    0.419722E-05    0.197615E+03 -0.212394E-07 0.100000E-04    0.997456E+00
  49   -0.231234E-04    0.195327E+03  0.118383E-06 0.100000E-04    0.995272E+00
  50    0.933088E-05    0.191547E+03 -0.487132E-07 0.100000E-04    0.991533E+00
  51   -0.150858E-04    0.184447E+03  0.817891E-07 0.100000E-04    0.997110E+00
  52    0.272269E-05    0.175274E+03 -0.155339E-07 0.100000E-04    0.987756E+00
  53   -0.121037E-04    0.171751E+03  0.704728E-07 0.100000E-04    0.999583E+00
  54   -0.157297E-04    0.167550E+03  0.938806E-07 0.100000E-04    0.995086E+00
  55   -0.198289E-04    0.165145E+03  0.120069E-06 0.100000E-04    0.997793E+00
  56   -0.593572E-05    0.159176E+03  0.372904E-07 0.100000E-04    0.991083E+00
  57   -0.900331E-05    0.153878E+03  0.585092E-07 0.100000E-04    0.999037E+00
  58    0.229032E-04    0.151244E+03 -0.151432E-06 0.100000E-04    0.997255E+00
  59    0.247138E-07    0.148786E+03 -0.166103E-09 0.100000E-04    0.432196E+00
  60   -0.211905E-04    0.143230E+03  0.147948E-06 0.100000E-04    0.998721E+00
  61    0.247641E-04    0.137071E+03 -0.180666E-06 0.100000E-04    0.997532E+00
  62   -0.305205E-04    0.135762E+03  0.224809E-06 0.100000E-04    0.998635E+00
  63   -0.228465E-04    0.130696E+03  0.174806E-06 0.100000E-04    0.997461E+00
  64    0.231152E-04    0.127978E+03 -0.180618E-06 0.100000E-04    0.994216E+00
  65    0.140466E-04    0.126077E+03 -0.111413E-06 0.100000E-04    0.988317E+00
  66   -0.234262E-04    0.125590E+03  0.186529E-06 0.100000E-04    0.995195E+00
  67    0.618726E-05    0.119709E+03 -0.516860E-07 0.100000E-04    0.979356E+00
  68   -0.895886E-05    0.118054E+03  0.758880E-07 0.100000E-04    0.998719E+00
  69   -0.516297E-05    0.116993E+03  0.441308E-07 0.100000E-04    0.998806E+00
  70   -0.244201E-04    0.111130E+03  0.219743E-06 0.100000E-04    0.993943E+00
  71    0.516331E-05    0.108036E+03 -0.477926E-07 0.100000E-04    0.989193E+00
  72    0.535947E-04    0.104811E+03 -0.511344E-06 0.100000E-04    0.995901E+00
  73   -0.261888E-04    0.103075E+03  0.254074E-06 0.100000E-04    0.997976E+00
  74   -0.292335E-04    0.998032E+02  0.292912E-06 0.100000E-04    0.998168E+00
  75    0.666759E-04    0.960089E+02 -0.694476E-06 0.100000E-04    0.994947E+00
  76   -0.144322E-04    0.949492E+02  0.151999E-06 0.100000E-04    0.968700E+00
  77    0.606427E-04    0.927113E+02 -0.654102E-06 0.100000E-04    0.997049E+00
  78   -0.494138E-06    0.904359E+02  0.546396E-08 0.100000E-04    0.917331E+00
  79   -0.112358E-04    0.897823E+02  0.125145E-06 0.100000E-04    0.992459E+00
  80   -0.211761E-04    0.849389E+02  0.249310E-06 0.100000E-04    0.999892E+00
  81   -0.209239E-04    0.809163E+02  0.258587E-06 0.100000E-04    0.996141E+00
  82   -0.357533E-06    0.797692E+02  0.448210E-08 0.100000E-04    0.653728E+00
  83   -0.155359E-04    0.783145E+02  0.198379E-06 0.100000E-04    0.999138E+00
  84    0.371198E-04    0.727607E+02 -0.510162E-06 0.100000E-04    0.997365E+00
  85   -0.433763E-04    0.721327E+02  0.601340E-06 0.100000E-04    0.997490E+00
  86    0.541850E-06    0.682896E+02 -0.793459E-08 0.100000E-04    0.729338E+00
  87    0.421857E-04    0.667856E+02 -0.631658E-06 0.100000E-04    0.998250E+00
  88    0.382798E-05    0.632584E+02 -0.605134E-07 0.100000E-04    0.953215E+00
  89   -0.522694E-04    0.603030E+02  0.866779E-06 0.100000E-04    0.997503E+00
  90   -0.316061E-04    0.597175E+02  0.529261E-06 0.100000E-04    0.995764E+00
  91   -0.310950E-05    0.590584E+02  0.526513E-07 0.100000E-04    0.976646E+00
  92   -0.606706E-04    0.560267E+02  0.108289E-05 0.100000E-04    0.999498E+00
  93    0.311154E-04    0.528452E+02 -0.588804E-06 0.100000E-04    0.993423E+00
  94    0.449114E-04    0.522732E+02 -0.859168E-06 0.100000E-04    0.996742E+00
  95   -0.252726E-04    0.500977E+02  0.504466E-06 0.100000E-04    0.995430E+00
  96    0.864871E-05    0.476169E+02 -0.181631E-06 0.100000E-04    0.998327E+00
  97   -0.405786E-04    0.429032E+02  0.945818E-06 0.100000E-04    0.995923E+00
  98    0.401544E-04    0.403447E+02 -0.995285E-06 0.100000E-04    0.997737E+00
  99    0.118949E-03    0.373440E+02 -0.318523E-05 0.100000E-04    0.999195E+00
 100    0.103573E-03    0.361059E+02 -0.286860E-05 0.100000E-04    0.995402E+00
 101   -0.167974E-04    0.348246E+02  0.482343E-06 0.100000E-04    0.996230E+00
 102    0.971211E-04    0.288226E+02 -0.336961E-05 0.100000E-04    0.999785E+00
 103   -0.114376E-04    0.286741E+02  0.398884E-06 0.100000E-04    0.949724E+00
 104   -0.789850E-04    0.276362E+02  0.285803E-05 0.100000E-04    0.992463E+00
 105   -0.546159E-04    0.229576E+02  0.237900E-05 0.100000E-04    0.996992E+00
 106    0.114980E-04    0.214905E+02 -0.535029E-06 0.100000E-04    0.968258E+00
 107    0.115277E-03    0.203194E+02 -0.567327E-05 0.100000E-04    0.992197E+00
 108    0.889783E-05    0.168204E+02 -0.528990E-06 0.100000E-04    0.961695E+00
 109    0.743861E-04    0.137836E+02 -0.539670E-05 0.100000E-04    0.993064E+00
 110   -0.517470E-02    0.122538E+02  0.100000E-04 0.100000E-04    0.482303E+00
 111   -0.401473E-02    0.986917E+01  0.100000E-04 0.100000E-04    0.745891E+00
 112    0.545618E-02    0.905970E+01 -0.100000E-04 0.100000E-04    0.289420E+00
 113    0.197317E-01    0.724150E+01 -0.139963E-04 0.139963E-04    0.266467E+00
 114    0.625241E+00    0.431058E+01  0.400000E-03 0.400000E-03    0.511388E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1421183336    

 Beginning of optimization cycle  314.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3605456457
 potential> RMS force:                                               0.0587545459   |gradient|=.6273268840    
 Eigenvalues of the Hessian matrix:
   732.47010    673.44647    626.77831    604.26381    588.41518    570.81394 
   566.81703    482.54960    465.39237    461.40457    441.37235    429.78894 
   421.76848    407.84563    397.46736    388.84212    367.79642    361.87848 
   350.94932    336.48371    325.74512    321.47413    320.16445    313.03558 
   304.12535    288.45168    278.86229    270.72720    266.74721    264.11152 
   259.37840    253.88612    242.32989    238.08017    235.25869    228.56547 
   220.49406    213.64483    212.20882    207.45544    203.52697    197.60908 
   195.32364    191.54627    184.43718    175.26214    171.75650    167.54952 
   165.13901    159.16572    153.88339    151.24951    148.77854    143.23216 
   137.07310    135.76545    130.69467    127.98268    126.07859    125.58967 
   119.71066    118.05470    116.99431    111.12435    108.02679    104.80843 
   103.07610     99.80170     96.00205     94.94346     92.72404     90.43890 
    89.77913     84.94175     80.91620     79.77164     78.31319     72.76202 
    72.13735     68.28927     66.77292     63.25564     60.29387     59.71822 
    59.05918     56.02743     52.84153     52.27400     50.09636     47.61290 
    42.90180     40.34718     37.34833     36.10949     34.81298     28.82215 
    28.67295     27.62799     22.95901     21.48450     20.32420     16.82012 
    13.78397     12.25342      9.87043      9.05183      7.23596      4.30597 
overlap for current and previous eigenvector    109 is         0.9999996108
overlap for current and previous eigenvector    110 is         0.9999994781
overlap for current and previous eigenvector    111 is         0.9999956900
overlap for current and previous eigenvector    112 is        -0.9999897472
overlap for current and previous eigenvector    113 is         0.9999939049
overlap for current and previous eigenvector    114 is        -0.9999997169
J1,K1,R1,R2,RAT=   7   7   -0.7654787990E-02     2.007484751        0.9923452120    
FOB,PFOB,DIAG,PSTEP=   -0.3783197559E-05   -0.3754455554E-05     732.4701007        0.5126181636E-08
J1,K1,R1,R2,RAT=   8   8   -0.3143673192E-03     2.000286865        0.9996856327    
FOB,PFOB,DIAG,PSTEP=   -0.4432508340E-05   -0.4431115323E-05     673.4464720        0.6579849241E-08
J1,K1,R1,R2,RAT=   9   9    -2.871984629         4.871945678         1.871984629    
FOB,PFOB,DIAG,PSTEP=    0.2265478109E-07    0.5850863572E-08     626.7783065       -0.9335003245E-11
J1,K1,R1,R2,RAT=  10  10   -0.1041777773E-01     2.010439172        0.9895822223    
FOB,PFOB,DIAG,PSTEP=    0.1940409286E-05    0.1920403166E-05     604.2638144       -0.3178053323E-08
J1,K1,R1,R2,RAT=  11  11   -0.1965399483E-01     2.019686972        0.9803460052    
FOB,PFOB,DIAG,PSTEP=   -0.1386991016E-05   -0.1360256973E-05     588.4151840        0.2311691781E-08
J1,K1,R1,R2,RAT= 109 109    0.9975865049E-02     1.989974379        0.9899743789    
FOB,PFOB,DIAG,PSTEP=    0.7364397776E-04    0.7438606154E-04     13.78397270       -0.5396696131E-05
J1,K1,R1,R2,RAT= 110 110   -0.5294076560         84.99068575        0.4705923440    
FOB,PFOB,DIAG,PSTEP=   -0.5239568436E-02   -0.5174697888E-02     12.25342075        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2667527975         81.08192812        0.7332472025    
FOB,PFOB,DIAG,PSTEP=   -0.3988403395E-02   -0.4014733048E-02     9.870431832        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     121.3514445       -0.7972369393        0.2027630607    
FOB,PFOB,DIAG,PSTEP=   -0.5528347095E-02    0.5456182542E-02     9.051832620       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8602821450         390.5186712        0.1397178550    
FOB,PFOB,DIAG,PSTEP=    0.1981881939E-01    0.1973169270E-01     7.235956448       -0.1399633613E-04
J1,K1,R1,R2,RAT= 114 114    -727.0120540        0.9950105517        0.4989448274E-02
FOB,PFOB,DIAG,PSTEP=   -0.6269547022        0.6252409096         4.305965784        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002      0.00001      0.00001     -0.00002     -0.00000      0.00002 
     0.00002      0.00003     -0.00002      0.00002      0.00001      0.00002 
    -0.00001      0.00001     -0.00001      0.00002      0.00001     -0.00005 
    -0.00003      0.00003      0.00007      0.00001      0.00006      0.00000 
    -0.00001      0.00002      0.00002      0.00000      0.00002      0.00004 
    -0.00004      0.00000     -0.00004      0.00000     -0.00005     -0.00003 
    -0.00000     -0.00006     -0.00003     -0.00005     -0.00003     -0.00001 
     0.00004     -0.00004     -0.00012     -0.00010      0.00002      0.00010 
     0.00001     -0.00008     -0.00006      0.00001      0.00012      0.00001 
     0.00007     -0.00524     -0.00399     -0.00553      0.01982     -0.62695 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4281002272
 Log product of positive Hessian eigenvalues =          519.8750553646
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3059657844
 Unscaled step for mode    7=        0.0000000052
 Unscaled step for mode    8=        0.0000000066
 Unscaled step for mode    9=       -0.0000000000
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000026
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000046
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000123
 Unscaled step for mode   17=       -0.0000000097
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000369
 Unscaled step for mode   20=       -0.0000000194
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000169
 Unscaled step for mode   23=       -0.0000000007
 Unscaled step for mode   24=        0.0000000034
 Unscaled step for mode   25=        0.0000000545
 Unscaled step for mode   26=        0.0000000937
 Unscaled step for mode   27=        0.0000000488
 Unscaled step for mode   28=       -0.0000000382
 Unscaled step for mode   29=       -0.0000000227
 Unscaled step for mode   30=        0.0000000782
 Unscaled step for mode   31=        0.0000000432
 Unscaled step for mode   32=        0.0000000196
 Unscaled step for mode   33=       -0.0000000400
 Unscaled step for mode   34=       -0.0000000344
 Unscaled step for mode   35=       -0.0000000886
 Unscaled step for mode   36=       -0.0000000609
 Unscaled step for mode   37=        0.0000000656
 Unscaled step for mode   38=        0.0000000066
 Unscaled step for mode   39=        0.0000000768
 Unscaled step for mode   40=        0.0000000306
 Unscaled step for mode   41=        0.0000001538
 Unscaled step for mode   42=        0.0000000468
 Unscaled step for mode   43=        0.0000000574
 Unscaled step for mode   44=        0.0000001057
 Unscaled step for mode   45=       -0.0000000041
 Unscaled step for mode   46=       -0.0000001071
 Unscaled step for mode   47=        0.0000001452
 Unscaled step for mode   48=       -0.0000000215
 Unscaled step for mode   49=        0.0000001186
 Unscaled step for mode   50=       -0.0000000493
 Unscaled step for mode   51=        0.0000000821
 Unscaled step for mode   52=       -0.0000000157
 Unscaled step for mode   53=       -0.0000000709
 Unscaled step for mode   54=       -0.0000000944
 Unscaled step for mode   55=       -0.0000001201
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=       -0.0000000592
 Unscaled step for mode   58=        0.0000001518
 Unscaled step for mode   59=        0.0000000004
 Unscaled step for mode   60=       -0.0000001485
 Unscaled step for mode   61=       -0.0000001823
 Unscaled step for mode   62=       -0.0000002247
 Unscaled step for mode   63=        0.0000001755
 Unscaled step for mode   64=       -0.0000001819
 Unscaled step for mode   65=       -0.0000001140
 Unscaled step for mode   66=       -0.0000001858
 Unscaled step for mode   67=        0.0000000514
 Unscaled step for mode   68=       -0.0000000763
 Unscaled step for mode   69=        0.0000000446
 Unscaled step for mode   70=       -0.0000002198
 Unscaled step for mode   71=       -0.0000000477
 Unscaled step for mode   72=        0.0000005135
 Unscaled step for mode   73=        0.0000002551
 Unscaled step for mode   74=       -0.0000002932
 Unscaled step for mode   75=       -0.0000006985
 Unscaled step for mode   76=       -0.0000001472
 Unscaled step for mode   77=       -0.0000006540
 Unscaled step for mode   78=       -0.0000000070
 Unscaled step for mode   79=        0.0000001242
 Unscaled step for mode   80=       -0.0000002501
 Unscaled step for mode   81=       -0.0000002589
 Unscaled step for mode   82=       -0.0000000035
 Unscaled step for mode   83=       -0.0000001990
 Unscaled step for mode   84=       -0.0000005133
 Unscaled step for mode   85=        0.0000006040
 Unscaled step for mode   86=       -0.0000000042
 Unscaled step for mode   87=        0.0000006346
 Unscaled step for mode   88=       -0.0000000598
 Unscaled step for mode   89=        0.0000008691
 Unscaled step for mode   90=        0.0000005369
 Unscaled step for mode   91=        0.0000000555
 Unscaled step for mode   92=        0.0000010844
 Unscaled step for mode   93=        0.0000005872
 Unscaled step for mode   94=        0.0000008620
 Unscaled step for mode   95=        0.0000005028
 Unscaled step for mode   96=        0.0000001782
 Unscaled step for mode   97=       -0.0000009544
 Unscaled step for mode   98=        0.0000010021
 Unscaled step for mode   99=        0.0000032005
 Unscaled step for mode  100=        0.0000028687
 Unscaled step for mode  101=       -0.0000004965
 Unscaled step for mode  102=       -0.0000033796
 Unscaled step for mode  103=       -0.0000004098
 Unscaled step for mode  104=        0.0000028659
 Unscaled step for mode  105=        0.0000023994
 Unscaled step for mode  106=       -0.0000005724
 Unscaled step for mode  107=       -0.0000056938
 Unscaled step for mode  108=       -0.0000004593
 Unscaled step for mode  109=       -0.0000053427
 Unscaled step for mode  110=        0.0004276004
 Unscaled step for mode  111=        0.0004040758
 Unscaled step for mode  112=        0.0006107432
 Unscaled step for mode  113=       -0.0027389151
 Unscaled step for mode  114=       -0.1426390225
 Largest modulus ratio of non-zero e/values=           170.1058804    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.118178E-15    0.101897E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.113332E-14    0.100715E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.128749E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.188442E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.119522E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.558012E-15    0.973872E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.378320E-05    0.732470E+03  0.516499E-08 0.100000E-04    0.992345E+00
   8   -0.443251E-05    0.673446E+03  0.658183E-08 0.100000E-04    0.999686E+00
   9    0.226548E-07    0.626778E+03 -0.361448E-10 0.100000E-04    0.187198E+01
  10    0.194041E-05    0.604264E+03 -0.321120E-08 0.100000E-04    0.989582E+00
  11   -0.138699E-05    0.588415E+03  0.235716E-08 0.100000E-04    0.980346E+00
  12   -0.145732E-05    0.570814E+03  0.255305E-08 0.100000E-04    0.990581E+00
  13   -0.346588E-05    0.566817E+03  0.611464E-08 0.100000E-04    0.996655E+00
  14   -0.223215E-05    0.482550E+03  0.462575E-08 0.100000E-04    0.993441E+00
  15    0.181774E-05    0.465392E+03 -0.390583E-08 0.100000E-04    0.992083E+00
  16    0.565244E-05    0.461405E+03 -0.122505E-07 0.100000E-04    0.994199E+00
  17    0.428371E-05    0.441372E+03 -0.970542E-08 0.100000E-04    0.988809E+00
  18    0.499908E-05    0.429789E+03 -0.116315E-07 0.100000E-04    0.991896E+00
  19   -0.155635E-04    0.421768E+03  0.369006E-07 0.100000E-04    0.996003E+00
  20    0.791731E-05    0.407846E+03 -0.194125E-07 0.100000E-04    0.997149E+00
  21    0.724540E-05    0.397467E+03 -0.182289E-07 0.100000E-04    0.996795E+00
  22   -0.657471E-05    0.388842E+03  0.169084E-07 0.100000E-04    0.997916E+00
  23    0.243400E-06    0.367796E+03 -0.661780E-09 0.100000E-04    0.866471E+00
  24   -0.121746E-05    0.361878E+03  0.336427E-08 0.100000E-04    0.999184E+00
  25   -0.191142E-04    0.350949E+03  0.544643E-07 0.100000E-04    0.996090E+00
  26   -0.315227E-04    0.336484E+03  0.936827E-07 0.100000E-04    0.997527E+00
  27   -0.158999E-04    0.325745E+03  0.488107E-07 0.100000E-04    0.997085E+00
  28    0.122962E-04    0.321474E+03 -0.382493E-07 0.100000E-04    0.990717E+00
  29    0.727368E-05    0.320164E+03 -0.227186E-07 0.100000E-04    0.982685E+00
  30   -0.244867E-04    0.313036E+03  0.782234E-07 0.100000E-04    0.999062E+00
  31   -0.131372E-04    0.304125E+03  0.431965E-07 0.100000E-04    0.995599E+00
  32   -0.565858E-05    0.288452E+03  0.196171E-07 0.100000E-04    0.999587E+00
  33    0.111635E-04    0.278862E+03 -0.400321E-07 0.100000E-04    0.996016E+00
  34    0.931707E-05    0.270727E+03 -0.344150E-07 0.100000E-04    0.993305E+00
  35    0.236260E-04    0.266747E+03 -0.885709E-07 0.100000E-04    0.998792E+00
  36    0.160732E-04    0.264112E+03 -0.608576E-07 0.100000E-04    0.998437E+00
  37   -0.170277E-04    0.259378E+03  0.656480E-07 0.100000E-04    0.995770E+00
  38   -0.166453E-05    0.253886E+03  0.655620E-08 0.100000E-04    0.982821E+00
  39   -0.186103E-04    0.242330E+03  0.767975E-07 0.100000E-04    0.997230E+00
  40   -0.727938E-05    0.238080E+03  0.305753E-07 0.100000E-04    0.976259E+00
  41   -0.361788E-04    0.235259E+03  0.153783E-06 0.100000E-04    0.998241E+00
  42   -0.107017E-04    0.228565E+03  0.468211E-07 0.100000E-04    0.999150E+00
  43   -0.126490E-04    0.220494E+03  0.573667E-07 0.100000E-04    0.996058E+00
  44   -0.225924E-04    0.213645E+03  0.105747E-06 0.100000E-04    0.998382E+00
  45    0.870462E-06    0.212209E+03 -0.410191E-08 0.100000E-04    0.975516E+00
  46    0.222091E-04    0.207455E+03 -0.107055E-06 0.100000E-04    0.996344E+00
  47   -0.295502E-04    0.203527E+03  0.145191E-06 0.100000E-04    0.998840E+00
  48    0.425432E-05    0.197609E+03 -0.215290E-07 0.100000E-04    0.986396E+00
  49   -0.231628E-04    0.195324E+03  0.118587E-06 0.100000E-04    0.998293E+00
  50    0.943930E-05    0.191546E+03 -0.492795E-07 0.100000E-04    0.988381E+00
  51   -0.151331E-04    0.184437E+03  0.820504E-07 0.100000E-04    0.996860E+00
  52    0.274722E-05    0.175262E+03 -0.156749E-07 0.100000E-04    0.990990E+00
  53    0.121778E-04    0.171756E+03 -0.709013E-07 0.100000E-04    0.993885E+00
  54    0.158150E-04    0.167550E+03 -0.943901E-07 0.100000E-04    0.994574E+00
  55    0.198309E-04    0.165139E+03 -0.120086E-06 0.100000E-04    0.999897E+00
  56    0.588032E-05    0.159166E+03 -0.369446E-07 0.100000E-04    0.990665E+00
  57    0.911585E-05    0.153883E+03 -0.592387E-07 0.100000E-04    0.987500E+00
  58   -0.229538E-04    0.151250E+03  0.151761E-06 0.100000E-04    0.997790E+00
  59   -0.660407E-07    0.148779E+03  0.443886E-09 0.100000E-04    0.672304E+00
  60    0.212731E-04    0.143232E+03 -0.148522E-06 0.100000E-04    0.996103E+00
  61    0.249830E-04    0.137073E+03 -0.182261E-06 0.100000E-04    0.991158E+00
  62    0.305092E-04    0.135765E+03 -0.224720E-06 0.100000E-04    0.999580E+00
  63   -0.229382E-04    0.130695E+03  0.175510E-06 0.100000E-04    0.995988E+00
  64    0.232763E-04    0.127983E+03 -0.181871E-06 0.100000E-04    0.993029E+00
  65    0.143718E-04    0.126079E+03 -0.113991E-06 0.100000E-04    0.976850E+00
  66    0.233310E-04    0.125590E+03 -0.185771E-06 0.100000E-04    0.995936E+00
  67   -0.614804E-05    0.119711E+03  0.513575E-07 0.100000E-04    0.993629E+00
  68    0.900443E-05    0.118055E+03 -0.762734E-07 0.100000E-04    0.994913E+00
  69   -0.522372E-05    0.116994E+03  0.446493E-07 0.100000E-04    0.988235E+00
  70    0.244206E-04    0.111124E+03 -0.219759E-06 0.100000E-04    0.999981E+00
  71    0.515455E-05    0.108027E+03 -0.477155E-07 0.100000E-04    0.998302E+00
  72   -0.538192E-04    0.104808E+03  0.513500E-06 0.100000E-04    0.995813E+00
  73   -0.262986E-04    0.103076E+03  0.255138E-06 0.100000E-04    0.995806E+00
  74    0.292595E-04    0.998017E+02 -0.293177E-06 0.100000E-04    0.999111E+00
  75    0.670549E-04    0.960020E+02 -0.698473E-06 0.100000E-04    0.994315E+00
  76    0.139788E-04    0.949435E+02 -0.147233E-06 0.100000E-04    0.968580E+00
  77    0.606402E-04    0.927240E+02 -0.653986E-06 0.100000E-04    0.999686E+00
  78    0.636617E-06    0.904389E+02 -0.703919E-08 0.100000E-04    0.711673E+00
  79   -0.111470E-04    0.897791E+02  0.124160E-06 0.100000E-04    0.992098E+00
  80    0.212468E-04    0.849418E+02 -0.250134E-06 0.100000E-04    0.996661E+00
  81    0.209510E-04    0.809162E+02 -0.258923E-06 0.100000E-04    0.998705E+00
  82    0.280647E-06    0.797716E+02 -0.351812E-08 0.100000E-04    0.784897E+00
  83    0.155865E-04    0.783132E+02 -0.199028E-06 0.100000E-04    0.996746E+00
  84    0.373504E-04    0.727620E+02 -0.513323E-06 0.100000E-04    0.993787E+00
  85   -0.435674E-04    0.721373E+02  0.603951E-06 0.100000E-04    0.995595E+00
  86    0.285097E-06    0.682893E+02 -0.417485E-08 0.100000E-04    0.526154E+00
  87   -0.423720E-04    0.667729E+02  0.634569E-06 0.100000E-04    0.995582E+00
  88    0.378132E-05    0.632556E+02 -0.597784E-07 0.100000E-04    0.987812E+00
  89   -0.523993E-04    0.602939E+02  0.869065E-06 0.100000E-04    0.997515E+00
  90   -0.320654E-04    0.597182E+02  0.536946E-06 0.100000E-04    0.985468E+00
  91   -0.327769E-05    0.590592E+02  0.554983E-07 0.100000E-04    0.945912E+00
  92   -0.607561E-04    0.560274E+02  0.108440E-05 0.100000E-04    0.998591E+00
  93   -0.310304E-04    0.528415E+02  0.587235E-06 0.100000E-04    0.997266E+00
  94   -0.450608E-04    0.522740E+02  0.862011E-06 0.100000E-04    0.996674E+00
  95   -0.251869E-04    0.500964E+02  0.502770E-06 0.100000E-04    0.996612E+00
  96   -0.848348E-05    0.476129E+02  0.178176E-06 0.100000E-04    0.980894E+00
  97    0.409449E-04    0.429018E+02 -0.954386E-06 0.100000E-04    0.990973E+00
  98   -0.404335E-04    0.403472E+02  0.100214E-05 0.100000E-04    0.993051E+00
  99   -0.119534E-03    0.373483E+02  0.320051E-05 0.100000E-04    0.995090E+00
 100   -0.103589E-03    0.361095E+02  0.286873E-05 0.100000E-04    0.999854E+00
 101    0.172853E-04    0.348130E+02 -0.496517E-06 0.100000E-04    0.970949E+00
 102    0.974085E-04    0.288222E+02 -0.337964E-05 0.100000E-04    0.997041E+00
 103    0.117515E-04    0.286730E+02 -0.409847E-06 0.100000E-04    0.972556E+00
 104   -0.791798E-04    0.276280E+02  0.286593E-05 0.100000E-04    0.997533E+00
 105   -0.550867E-04    0.229590E+02  0.239935E-05 0.100000E-04    0.991381E+00
 106    0.122978E-04    0.214845E+02 -0.572404E-06 0.100000E-04    0.930423E+00
 107    0.115722E-03    0.203242E+02 -0.569382E-05 0.100000E-04    0.996141E+00
 108    0.772626E-05    0.168201E+02 -0.459346E-06 0.100000E-04    0.868329E+00
 109    0.736440E-04    0.137840E+02 -0.534273E-05 0.100000E-04    0.989974E+00
 110   -0.523957E-02    0.122534E+02  0.100000E-04 0.100000E-04    0.470592E+00
 111   -0.398840E-02    0.987043E+01  0.100000E-04 0.100000E-04    0.733247E+00
 112   -0.552835E-02    0.905183E+01  0.100000E-04 0.100000E-04    0.202763E+00
 113    0.198188E-01    0.723596E+01 -0.152560E-04 0.152560E-04    0.139718E+00
 114   -0.626955E+00    0.430597E+01 -0.400000E-03 0.400000E-03    0.498945E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1426390225    

 Beginning of optimization cycle  315.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3602949685
 potential> RMS force:                                               0.0589151121   |gradient|=.6290412625    
 Eigenvalues of the Hessian matrix:
   732.53238    673.45559    626.79051    604.25733    588.40540    570.85692 
   566.82401    482.57453    465.36907    461.39754    441.37350    429.78125 
   421.77304    407.85387    397.46233    388.84152    367.80326    361.86960 
   350.94205    336.46258    325.75689    321.47239    320.17107    313.01015 
   304.11439    288.46028    278.85704    270.72890    266.75609    264.11940 
   259.39180    253.88803    242.32557    238.09098    235.24688    228.56219 
   220.47341    213.65267    212.21462    207.44873    203.52884    197.60296 
   195.32057    191.54506    184.42704    175.25067    171.76238    167.54934 
   165.13259    159.15567    153.88832    151.25463    148.77117    143.23453 
   137.07524    135.76891    130.69299    127.98700    126.08011    125.58906 
   119.71251    118.05562    116.99600    111.11826    108.01780    104.80537 
   103.07689     99.80015     95.99525     94.93760     92.73675     90.44202 
    89.77588     84.94461     80.91610     79.77409     78.31191     72.76331 
    72.14198     68.28891     66.76026     63.25285     60.28472     59.71890 
    59.05994     56.02811     52.83789     52.27482     50.09505     47.60889 
    42.90048     40.34966     37.35261     36.11304     34.80127     28.82167 
    28.67180     27.61978     22.96049     21.47851     20.32897     16.81982 
    13.78432     12.25305      9.87171      9.04404      7.23035      4.30133 
overlap for current and previous eigenvector    109 is         0.9999996135
overlap for current and previous eigenvector    110 is        -0.9999994794
overlap for current and previous eigenvector    111 is        -0.9999959030
overlap for current and previous eigenvector    112 is        -0.9999899594
overlap for current and previous eigenvector    113 is         0.9999939009
overlap for current and previous eigenvector    114 is         0.9999997153
J1,K1,R1,R2,RAT=   7   7   -0.7302404422E-02     2.007132372        0.9926975956    
FOB,PFOB,DIAG,PSTEP=   -0.3810826347E-05   -0.3783197559E-05     732.5323779        0.5164985650E-08
J1,K1,R1,R2,RAT=   8   8   -0.8041369562E-02     2.008014299        0.9919586304    
FOB,PFOB,DIAG,PSTEP=   -0.4468152260E-05   -0.4432508340E-05     673.4555873        0.6581827249E-08
J1,K1,R1,R2,RAT=   9   9    0.7760440620         1.223916985        0.2239169854    
FOB,PFOB,DIAG,PSTEP=    0.5073330327E-08    0.2265478109E-07     626.7905140       -0.3614480727E-10
J1,K1,R1,R2,RAT=  10  10    0.5754008424E-02     1.994267452        0.9942459916    
FOB,PFOB,DIAG,PSTEP=    0.1929244274E-05    0.1940409286E-05     604.2573305       -0.3211195573E-08
J1,K1,R1,R2,RAT=  11  11    0.2141035739E-02     1.997892217        0.9978589643    
FOB,PFOB,DIAG,PSTEP=   -0.1384021468E-05   -0.1386991016E-05     588.4054010        0.2357163876E-08
J1,K1,R1,R2,RAT= 109 109   -0.8197401622E-03     2.000769443        0.9991802598    
FOB,PFOB,DIAG,PSTEP=    0.7370434821E-04    0.7364397776E-04     13.78431936       -0.5342725160E-05
J1,K1,R1,R2,RAT= 110 110     86.04689733       -0.5242505177        0.4757494823    
FOB,PFOB,DIAG,PSTEP=    0.5303805139E-02   -0.5239568436E-02     12.25305491        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     80.53873119        0.2660132186        0.7339867814    
FOB,PFOB,DIAG,PSTEP=    0.3962143352E-02   -0.3988403395E-02     9.871705985        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     123.0805487       -0.8266419933        0.1733580067    
FOB,PFOB,DIAG,PSTEP=    0.5603108941E-02   -0.5528347095E-02     9.044041609        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7431692645         360.0847317        0.2568307355    
FOB,PFOB,DIAG,PSTEP=    0.1990079565E-01    0.1981881939E-01     7.230352352       -0.1525600639E-04
J1,K1,R1,R2,RAT= 114 114    0.9949062653        -729.7860705        0.5093734662E-02
FOB,PFOB,DIAG,PSTEP=   -0.6286664714       -0.6269547022         4.301333036       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000      0.00001      0.00002 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000      0.00002 
     0.00003     -0.00003      0.00002     -0.00002     -0.00001     -0.00002 
     0.00001     -0.00001      0.00001      0.00002     -0.00001      0.00005 
     0.00003     -0.00003      0.00007      0.00001      0.00006      0.00000 
    -0.00001      0.00002     -0.00002     -0.00000      0.00002      0.00004 
     0.00004      0.00000     -0.00004      0.00000      0.00005     -0.00003 
     0.00000     -0.00006     -0.00003     -0.00005      0.00002      0.00001 
    -0.00004      0.00004     -0.00012     -0.00010      0.00002      0.00010 
     0.00001     -0.00008      0.00006     -0.00001     -0.00012     -0.00001 
     0.00007      0.00530      0.00396      0.00560      0.01990     -0.62867 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4279647197
 Log product of positive Hessian eigenvalues =          519.8714196381
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.3013330355
 Unscaled step for mode    7=        0.0000000052
 Unscaled step for mode    8=        0.0000000066
 Unscaled step for mode    9=       -0.0000000000
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000027
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000045
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000123
 Unscaled step for mode   17=       -0.0000000097
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000370
 Unscaled step for mode   20=       -0.0000000193
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000170
 Unscaled step for mode   23=       -0.0000000008
 Unscaled step for mode   24=        0.0000000035
 Unscaled step for mode   25=        0.0000000546
 Unscaled step for mode   26=        0.0000000939
 Unscaled step for mode   27=        0.0000000489
 Unscaled step for mode   28=       -0.0000000385
 Unscaled step for mode   29=       -0.0000000231
 Unscaled step for mode   30=        0.0000000784
 Unscaled step for mode   31=        0.0000000435
 Unscaled step for mode   32=        0.0000000197
 Unscaled step for mode   33=       -0.0000000401
 Unscaled step for mode   34=       -0.0000000346
 Unscaled step for mode   35=       -0.0000000887
 Unscaled step for mode   36=       -0.0000000612
 Unscaled step for mode   37=        0.0000000659
 Unscaled step for mode   38=        0.0000000064
 Unscaled step for mode   39=        0.0000000769
 Unscaled step for mode   40=        0.0000000315
 Unscaled step for mode   41=        0.0000001544
 Unscaled step for mode   42=        0.0000000472
 Unscaled step for mode   43=        0.0000000578
 Unscaled step for mode   44=        0.0000001065
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001076
 Unscaled step for mode   47=        0.0000001454
 Unscaled step for mode   48=       -0.0000000217
 Unscaled step for mode   49=        0.0000001192
 Unscaled step for mode   50=       -0.0000000489
 Unscaled step for mode   51=        0.0000000824
 Unscaled step for mode   52=       -0.0000000159
 Unscaled step for mode   53=       -0.0000000711
 Unscaled step for mode   54=       -0.0000000950
 Unscaled step for mode   55=        0.0000001203
 Unscaled step for mode   56=        0.0000000369
 Unscaled step for mode   57=        0.0000000595
 Unscaled step for mode   58=       -0.0000001521
 Unscaled step for mode   59=        0.0000000008
 Unscaled step for mode   60=       -0.0000001489
 Unscaled step for mode   61=       -0.0000001828
 Unscaled step for mode   62=        0.0000002243
 Unscaled step for mode   63=       -0.0000001751
 Unscaled step for mode   64=        0.0000001830
 Unscaled step for mode   65=        0.0000001155
 Unscaled step for mode   66=        0.0000001847
 Unscaled step for mode   67=       -0.0000000521
 Unscaled step for mode   68=        0.0000000762
 Unscaled step for mode   69=       -0.0000000447
 Unscaled step for mode   70=       -0.0000002210
 Unscaled step for mode   71=        0.0000000481
 Unscaled step for mode   72=       -0.0000005152
 Unscaled step for mode   73=       -0.0000002558
 Unscaled step for mode   74=        0.0000002924
 Unscaled step for mode   75=       -0.0000007021
 Unscaled step for mode   76=       -0.0000001424
 Unscaled step for mode   77=       -0.0000006526
 Unscaled step for mode   78=       -0.0000000084
 Unscaled step for mode   79=        0.0000001227
 Unscaled step for mode   80=       -0.0000002506
 Unscaled step for mode   81=        0.0000002596
 Unscaled step for mode   82=        0.0000000011
 Unscaled step for mode   83=       -0.0000001997
 Unscaled step for mode   84=       -0.0000005145
 Unscaled step for mode   85=       -0.0000006027
 Unscaled step for mode   86=       -0.0000000009
 Unscaled step for mode   87=        0.0000006349
 Unscaled step for mode   88=       -0.0000000614
 Unscaled step for mode   89=       -0.0000008683
 Unscaled step for mode   90=        0.0000005397
 Unscaled step for mode   91=       -0.0000000571
 Unscaled step for mode   92=        0.0000010860
 Unscaled step for mode   93=        0.0000005831
 Unscaled step for mode   94=        0.0000008637
 Unscaled step for mode   95=       -0.0000004989
 Unscaled step for mode   96=       -0.0000001780
 Unscaled step for mode   97=        0.0000009521
 Unscaled step for mode   98=       -0.0000010048
 Unscaled step for mode   99=        0.0000031994
 Unscaled step for mode  100=        0.0000028599
 Unscaled step for mode  101=       -0.0000004973
 Unscaled step for mode  102=       -0.0000033793
 Unscaled step for mode  103=       -0.0000004272
 Unscaled step for mode  104=        0.0000028763
 Unscaled step for mode  105=       -0.0000024030
 Unscaled step for mode  106=        0.0000005531
 Unscaled step for mode  107=        0.0000056767
 Unscaled step for mode  108=        0.0000004593
 Unscaled step for mode  109=       -0.0000053470
 Unscaled step for mode  110=       -0.0004328557
 Unscaled step for mode  111=       -0.0004013635
 Unscaled step for mode  112=       -0.0006195357
 Unscaled step for mode  113=       -0.0027523755
 Unscaled step for mode  114=       -0.1431607251
 Largest modulus ratio of non-zero e/values=           170.3035714    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.828330E-16    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.142562E-14    0.100715E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.159920E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.413861E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.574627E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.533807E-15    0.973874E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.381083E-05    0.732532E+03  0.520226E-08 0.100000E-04    0.992698E+00
   8   -0.446815E-05    0.673456E+03  0.663467E-08 0.100000E-04    0.991959E+00
   9    0.507333E-08    0.626791E+03 -0.809414E-11 0.100000E-04    0.223917E+00
  10    0.192924E-05    0.604257E+03 -0.319275E-08 0.100000E-04    0.994246E+00
  11   -0.138402E-05    0.588405E+03  0.235216E-08 0.100000E-04    0.997859E+00
  12   -0.152066E-05    0.570857E+03  0.266382E-08 0.100000E-04    0.956540E+00
  13   -0.347813E-05    0.566824E+03  0.613618E-08 0.100000E-04    0.996464E+00
  14   -0.218173E-05    0.482575E+03  0.452101E-08 0.100000E-04    0.977307E+00
  15    0.182295E-05    0.465369E+03 -0.391721E-08 0.100000E-04    0.997137E+00
  16    0.566728E-05    0.461398E+03 -0.122829E-07 0.100000E-04    0.997374E+00
  17    0.427245E-05    0.441373E+03 -0.967989E-08 0.100000E-04    0.997366E+00
  18    0.499528E-05    0.429781E+03 -0.116228E-07 0.100000E-04    0.999239E+00
  19   -0.155929E-04    0.421773E+03  0.369699E-07 0.100000E-04    0.998109E+00
  20    0.787841E-05    0.407854E+03 -0.193168E-07 0.100000E-04    0.995047E+00
  21    0.722624E-05    0.397462E+03 -0.181809E-07 0.100000E-04    0.997356E+00
  22   -0.661776E-05    0.388842E+03  0.170192E-07 0.100000E-04    0.993452E+00
  23    0.278898E-06    0.367803E+03 -0.758282E-09 0.100000E-04    0.854161E+00
  24   -0.125683E-05    0.361870E+03  0.347315E-08 0.100000E-04    0.967661E+00
  25   -0.191583E-04    0.350942E+03  0.545909E-07 0.100000E-04    0.997696E+00
  26   -0.315827E-04    0.336463E+03  0.938669E-07 0.100000E-04    0.998096E+00
  27   -0.159351E-04    0.325757E+03  0.489171E-07 0.100000E-04    0.997784E+00
  28    0.123852E-04    0.321472E+03 -0.385266E-07 0.100000E-04    0.992757E+00
  29    0.739363E-05    0.320171E+03 -0.230928E-07 0.100000E-04    0.983508E+00
  30   -0.245369E-04    0.313010E+03  0.783901E-07 0.100000E-04    0.997950E+00
  31   -0.132408E-04    0.304114E+03  0.435390E-07 0.100000E-04    0.992107E+00
  32   -0.569500E-05    0.288460E+03  0.197427E-07 0.100000E-04    0.993565E+00
  33    0.111846E-04    0.278857E+03 -0.401086E-07 0.100000E-04    0.998109E+00
  34    0.936890E-05    0.270729E+03 -0.346062E-07 0.100000E-04    0.994437E+00
  35    0.236657E-04    0.266756E+03 -0.887166E-07 0.100000E-04    0.998322E+00
  36    0.161661E-04    0.264119E+03 -0.612077E-07 0.100000E-04    0.994217E+00
  37   -0.170815E-04    0.259392E+03  0.658521E-07 0.100000E-04    0.996840E+00
  38   -0.162249E-05    0.253888E+03  0.639058E-08 0.100000E-04    0.974732E+00
  39   -0.186369E-04    0.242326E+03  0.769085E-07 0.100000E-04    0.998572E+00
  40   -0.749142E-05    0.238091E+03  0.314645E-07 0.100000E-04    0.970872E+00
  41   -0.363297E-04    0.235247E+03  0.154432E-06 0.100000E-04    0.995831E+00
  42   -0.107869E-04    0.228562E+03  0.471945E-07 0.100000E-04    0.992039E+00
  43   -0.127499E-04    0.220473E+03  0.578294E-07 0.100000E-04    0.992027E+00
  44   -0.227587E-04    0.213653E+03  0.106522E-06 0.100000E-04    0.992639E+00
  45    0.829038E-06    0.212215E+03 -0.390660E-08 0.100000E-04    0.952358E+00
  46    0.223289E-04    0.207449E+03 -0.107636E-06 0.100000E-04    0.994601E+00
  47   -0.296002E-04    0.203529E+03  0.145435E-06 0.100000E-04    0.998310E+00
  48    0.427964E-05    0.197603E+03 -0.216578E-07 0.100000E-04    0.994048E+00
  49   -0.232742E-04    0.195321E+03  0.119159E-06 0.100000E-04    0.995190E+00
  50    0.936690E-05    0.191545E+03 -0.489018E-07 0.100000E-04    0.992330E+00
  51   -0.151973E-04    0.184427E+03  0.824027E-07 0.100000E-04    0.995761E+00
  52    0.278572E-05    0.175251E+03 -0.158957E-07 0.100000E-04    0.985981E+00
  53    0.122046E-04    0.171762E+03 -0.710550E-07 0.100000E-04    0.997799E+00
  54    0.159089E-04    0.167549E+03 -0.949503E-07 0.100000E-04    0.994067E+00
  55   -0.198595E-04    0.165133E+03  0.120264E-06 0.100000E-04    0.998559E+00
  56   -0.588001E-05    0.159156E+03  0.369451E-07 0.100000E-04    0.999949E+00
  57   -0.915147E-05    0.153888E+03  0.594682E-07 0.100000E-04    0.996093E+00
  58    0.230090E-04    0.151255E+03 -0.152121E-06 0.100000E-04    0.997597E+00
  59   -0.116877E-06    0.148771E+03  0.785618E-09 0.100000E-04    0.230186E+00
  60    0.213315E-04    0.143235E+03 -0.148927E-06 0.100000E-04    0.997256E+00
  61    0.250554E-04    0.137075E+03 -0.182786E-06 0.100000E-04    0.997104E+00
  62   -0.304576E-04    0.135769E+03  0.224334E-06 0.100000E-04    0.998258E+00
  63    0.228848E-04    0.130693E+03 -0.175104E-06 0.100000E-04    0.997673E+00
  64   -0.234238E-04    0.127987E+03  0.183017E-06 0.100000E-04    0.993666E+00
  65   -0.145588E-04    0.126080E+03  0.115473E-06 0.100000E-04    0.986987E+00
  66   -0.231941E-04    0.125589E+03  0.184683E-06 0.100000E-04    0.994135E+00
  67    0.623998E-05    0.119713E+03 -0.521247E-07 0.100000E-04    0.985045E+00
  68   -0.900171E-05    0.118056E+03  0.762498E-07 0.100000E-04    0.999682E+00
  69    0.522724E-05    0.116996E+03 -0.446788E-07 0.100000E-04    0.999325E+00
  70    0.245597E-04    0.111118E+03 -0.221023E-06 0.100000E-04    0.994303E+00
  71   -0.519241E-05    0.108018E+03  0.480699E-07 0.100000E-04    0.992654E+00
  72    0.539951E-04    0.104805E+03 -0.515194E-06 0.100000E-04    0.996732E+00
  73    0.263664E-04    0.103077E+03 -0.255793E-06 0.100000E-04    0.997424E+00
  74   -0.291865E-04    0.998002E+02  0.292450E-06 0.100000E-04    0.997505E+00
  75    0.673968E-04    0.959953E+02 -0.702085E-06 0.100000E-04    0.994900E+00
  76    0.135211E-04    0.949376E+02 -0.142421E-06 0.100000E-04    0.967256E+00
  77    0.605172E-04    0.927367E+02 -0.652570E-06 0.100000E-04    0.997697E+00
  78    0.756334E-06    0.904420E+02 -0.836264E-08 0.100000E-04    0.811954E+00
  79   -0.110197E-04    0.897759E+02  0.122746E-06 0.100000E-04    0.988579E+00
  80    0.212885E-04    0.849446E+02 -0.250616E-06 0.100000E-04    0.998040E+00
  81   -0.210070E-04    0.809161E+02  0.259614E-06 0.100000E-04    0.997331E+00
  82   -0.863821E-07    0.797741E+02  0.108283E-08 0.100000E-04    0.307756E+00
  83    0.156414E-04    0.783119E+02 -0.199732E-06 0.100000E-04    0.996477E+00
  84    0.374344E-04    0.727633E+02 -0.514468E-06 0.100000E-04    0.997751E+00
  85    0.434770E-04    0.721420E+02 -0.602659E-06 0.100000E-04    0.997796E+00
  86    0.603838E-07    0.682889E+02 -0.884240E-09 0.100000E-04    0.211796E+00
  87   -0.423862E-04    0.667603E+02  0.634902E-06 0.100000E-04    0.999665E+00
  88    0.388425E-05    0.632528E+02 -0.614082E-07 0.100000E-04    0.972780E+00
  89    0.523454E-04    0.602847E+02 -0.868304E-06 0.100000E-04    0.998972E+00
  90   -0.322296E-04    0.597189E+02  0.539689E-06 0.100000E-04    0.994879E+00
  91    0.337398E-05    0.590599E+02 -0.571280E-07 0.100000E-04    0.970623E+00
  92   -0.608463E-04    0.560281E+02  0.108600E-05 0.100000E-04    0.998516E+00
  93   -0.308084E-04    0.528379E+02  0.583074E-06 0.100000E-04    0.992846E+00
  94   -0.451473E-04    0.522748E+02  0.863654E-06 0.100000E-04    0.998079E+00
  95    0.249941E-04    0.500951E+02 -0.498933E-06 0.100000E-04    0.992342E+00
  96    0.847619E-05    0.476089E+02 -0.178038E-06 0.100000E-04    0.999142E+00
  97   -0.408451E-04    0.429005E+02  0.952090E-06 0.100000E-04    0.997563E+00
  98    0.405421E-04    0.403497E+02 -0.100477E-05 0.100000E-04    0.997315E+00
  99   -0.119507E-03    0.373526E+02  0.319942E-05 0.100000E-04    0.999546E+00
 100   -0.103280E-03    0.361130E+02  0.285990E-05 0.100000E-04    0.996824E+00
 101    0.173081E-04    0.348013E+02 -0.497340E-06 0.100000E-04    0.998680E+00
 102    0.973974E-04    0.288217E+02 -0.337931E-05 0.100000E-04    0.999887E+00
 103    0.122498E-04    0.286718E+02 -0.427242E-06 0.100000E-04    0.957598E+00
 104   -0.794424E-04    0.276198E+02  0.287628E-05 0.100000E-04    0.996683E+00
 105    0.551733E-04    0.229605E+02 -0.240297E-05 0.100000E-04    0.998429E+00
 106   -0.118807E-04    0.214785E+02  0.553144E-06 0.100000E-04    0.966074E+00
 107   -0.115402E-03    0.203290E+02  0.567674E-05 0.100000E-04    0.996766E+00
 108   -0.772567E-05    0.168198E+02  0.459319E-06 0.100000E-04    0.999923E+00
 109    0.737043E-04    0.137843E+02 -0.534697E-05 0.100000E-04    0.999180E+00
 110    0.530381E-02    0.122531E+02 -0.100000E-04 0.100000E-04    0.475749E+00
 111    0.396214E-02    0.987171E+01 -0.100000E-04 0.100000E-04    0.733987E+00
 112    0.560311E-02    0.904404E+01 -0.109000E-04 0.109000E-04    0.173358E+00
 113    0.199008E-01    0.723035E+01 -0.137441E-04 0.137441E-04    0.256831E+00
 114   -0.628666E+00    0.430133E+01 -0.400000E-03 0.400000E-03    0.509373E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1431607251    

 Beginning of optimization cycle  316.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3600435844
 potential> RMS force:                                               0.0590755284   |gradient|=.6307540396    
 Eigenvalues of the Hessian matrix:
   732.59468    673.46485    626.80277    604.25054    588.39574    570.89973 
   566.83094    482.59955    465.34578    461.39049    441.37466    429.77345 
   421.77750    407.86203    397.45728    388.84083    367.81010    361.86073 
   350.93464    336.44151    325.76868    321.47064    320.17754    312.98478 
   304.10329    288.46887    278.85179    270.73061    266.76492    264.12719 
   259.40506    253.88987    242.32116    238.10181    235.23497    228.55880 
   220.45277    213.66044    212.22042    207.44209    203.53066    197.59679 
   195.31744    191.54388    184.41688    175.23923    171.76826    167.54916 
   165.12613    159.14564    153.89322    151.25979    148.76379    143.23694 
   137.07739    135.77230    130.69135    127.99130    126.08170    125.58839 
   119.71438    118.05656    116.99772    111.11219    108.00890    104.80238 
   103.07767     99.79864     95.98857     94.93161     92.74943     90.44516 
    89.77256     84.94746     80.91600     79.77651     78.31065     72.76466 
    72.14665     68.28863     66.74761     63.25003     60.27568     59.71957 
    59.06071     56.02882     52.83431     52.27566     50.09376     47.60490 
    42.89917     40.35217     37.35694     36.11669     34.78961     28.82120 
    28.67065     27.61160     22.96196     21.47248     20.33378     16.81953 
    13.78467     12.25269      9.87298      9.03633      7.22471      4.29669 
overlap for current and previous eigenvector    109 is         0.9999996193
overlap for current and previous eigenvector    110 is         0.9999994835
overlap for current and previous eigenvector    111 is         0.9999961479
overlap for current and previous eigenvector    112 is         0.9999902259
overlap for current and previous eigenvector    113 is         0.9999939217
overlap for current and previous eigenvector    114 is         0.9999997161
J1,K1,R1,R2,RAT=   7   7   -0.8281392898E-02     2.008111305        0.9917186071    
FOB,PFOB,DIAG,PSTEP=   -0.3842387981E-05   -0.3810826347E-05     732.5946805        0.5202263356E-08
J1,K1,R1,R2,RAT=   8   8    0.4894814952E-03     1.999483005        0.9994830048    
FOB,PFOB,DIAG,PSTEP=   -0.4465965152E-05   -0.4468152260E-05     673.4648521        0.6634665068E-08
J1,K1,R1,R2,RAT=   9   9     3.324104541        -1.324143650        0.3241436497    
FOB,PFOB,DIAG,PSTEP=   -0.1179127983E-07    0.5073330327E-08     626.8027709       -0.8094140249E-11
J1,K1,R1,R2,RAT=  10  10   -0.1531139064E-01     2.015333851        0.9846886094    
FOB,PFOB,DIAG,PSTEP=    0.1958783355E-05    0.1929244274E-05     604.2505447       -0.3192752784E-08
J1,K1,R1,R2,RAT=  11  11   -0.1328628768E-02     2.001361464        0.9986713712    
FOB,PFOB,DIAG,PSTEP=   -0.1385860288E-05   -0.1384021468E-05     588.3957410        0.2352156294E-08
J1,K1,R1,R2,RAT= 109 109   -0.1999187568E-02     2.001947898        0.9980008124    
FOB,PFOB,DIAG,PSTEP=    0.7385170080E-04    0.7370434821E-04     13.78467287       -0.5346970444E-05
J1,K1,R1,R2,RAT= 110 110   -0.5339593551         87.10767602        0.4660406449    
FOB,PFOB,DIAG,PSTEP=    0.5369229531E-02    0.5303805139E-02     12.25269133       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2636463530         79.99867851        0.7363536470    
FOB,PFOB,DIAG,PSTEP=    0.3936113589E-02    0.3962143352E-02     9.872984265       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6724564448         114.4458033        0.3275435552    
FOB,PFOB,DIAG,PSTEP=    0.5669343201E-02    0.5603108941E-02     9.036328916       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9302538736         401.7618202        0.6974612638E-01
FOB,PFOB,DIAG,PSTEP=    0.1999316757E-01    0.1990079565E-01     7.224713622       -0.1374414990E-04
J1,K1,R1,R2,RAT= 114 114    0.9948885724        -732.5663904        0.5111427635E-02
FOB,PFOB,DIAG,PSTEP=   -0.6303763606       -0.6286664714         4.296685081       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000      0.00001      0.00002 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000     -0.00002 
     0.00003     -0.00003      0.00002     -0.00002     -0.00001     -0.00002 
    -0.00001      0.00001     -0.00001      0.00002     -0.00001     -0.00005 
    -0.00003     -0.00003      0.00007      0.00001      0.00006      0.00000 
    -0.00001      0.00002     -0.00002     -0.00000      0.00002      0.00004 
     0.00004     -0.00000     -0.00004      0.00000      0.00005     -0.00003 
     0.00000     -0.00006     -0.00003     -0.00005     -0.00003      0.00001 
    -0.00004      0.00004     -0.00012     -0.00010      0.00002     -0.00010 
    -0.00001      0.00008      0.00006     -0.00001     -0.00011     -0.00001 
     0.00007      0.00537      0.00394      0.00567      0.01999     -0.63038 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4278236728
 Log product of positive Hessian eigenvalues =          519.8677928303
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2966850806
 Unscaled step for mode    7=        0.0000000052
 Unscaled step for mode    8=        0.0000000066
 Unscaled step for mode    9=        0.0000000000
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000027
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000045
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000124
 Unscaled step for mode   17=       -0.0000000097
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000371
 Unscaled step for mode   20=       -0.0000000193
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000172
 Unscaled step for mode   23=       -0.0000000008
 Unscaled step for mode   24=        0.0000000036
 Unscaled step for mode   25=        0.0000000547
 Unscaled step for mode   26=        0.0000000941
 Unscaled step for mode   27=        0.0000000490
 Unscaled step for mode   28=       -0.0000000388
 Unscaled step for mode   29=       -0.0000000236
 Unscaled step for mode   30=        0.0000000784
 Unscaled step for mode   31=        0.0000000437
 Unscaled step for mode   32=        0.0000000199
 Unscaled step for mode   33=       -0.0000000404
 Unscaled step for mode   34=       -0.0000000349
 Unscaled step for mode   35=       -0.0000000887
 Unscaled step for mode   36=       -0.0000000615
 Unscaled step for mode   37=        0.0000000661
 Unscaled step for mode   38=        0.0000000062
 Unscaled step for mode   39=        0.0000000771
 Unscaled step for mode   40=        0.0000000324
 Unscaled step for mode   41=        0.0000001550
 Unscaled step for mode   42=        0.0000000474
 Unscaled step for mode   43=        0.0000000581
 Unscaled step for mode   44=        0.0000001070
 Unscaled step for mode   45=       -0.0000000042
 Unscaled step for mode   46=       -0.0000001081
 Unscaled step for mode   47=        0.0000001454
 Unscaled step for mode   48=       -0.0000000218
 Unscaled step for mode   49=        0.0000001193
 Unscaled step for mode   50=       -0.0000000494
 Unscaled step for mode   51=        0.0000000824
 Unscaled step for mode   52=       -0.0000000160
 Unscaled step for mode   53=       -0.0000000712
 Unscaled step for mode   54=       -0.0000000952
 Unscaled step for mode   55=        0.0000001204
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000598
 Unscaled step for mode   58=       -0.0000001525
 Unscaled step for mode   59=        0.0000000015
 Unscaled step for mode   60=        0.0000001490
 Unscaled step for mode   61=       -0.0000001842
 Unscaled step for mode   62=        0.0000002243
 Unscaled step for mode   63=       -0.0000001758
 Unscaled step for mode   64=        0.0000001841
 Unscaled step for mode   65=        0.0000001175
 Unscaled step for mode   66=        0.0000001842
 Unscaled step for mode   67=        0.0000000523
 Unscaled step for mode   68=       -0.0000000764
 Unscaled step for mode   69=        0.0000000452
 Unscaled step for mode   70=       -0.0000002211
 Unscaled step for mode   71=        0.0000000484
 Unscaled step for mode   72=        0.0000005182
 Unscaled step for mode   73=        0.0000002565
 Unscaled step for mode   74=        0.0000002929
 Unscaled step for mode   75=       -0.0000007056
 Unscaled step for mode   76=       -0.0000001370
 Unscaled step for mode   77=       -0.0000006513
 Unscaled step for mode   78=       -0.0000000084
 Unscaled step for mode   79=        0.0000001227
 Unscaled step for mode   80=       -0.0000002504
 Unscaled step for mode   81=        0.0000002605
 Unscaled step for mode   82=        0.0000000002
 Unscaled step for mode   83=       -0.0000001986
 Unscaled step for mode   84=       -0.0000005179
 Unscaled step for mode   85=       -0.0000006047
 Unscaled step for mode   86=        0.0000000022
 Unscaled step for mode   87=        0.0000006354
 Unscaled step for mode   88=       -0.0000000628
 Unscaled step for mode   89=       -0.0000008680
 Unscaled step for mode   90=        0.0000005474
 Unscaled step for mode   91=       -0.0000000597
 Unscaled step for mode   92=        0.0000010850
 Unscaled step for mode   93=        0.0000005822
 Unscaled step for mode   94=        0.0000008684
 Unscaled step for mode   95=        0.0000005001
 Unscaled step for mode   96=       -0.0000001750
 Unscaled step for mode   97=        0.0000009578
 Unscaled step for mode   98=       -0.0000010100
 Unscaled step for mode   99=        0.0000032117
 Unscaled step for mode  100=        0.0000028515
 Unscaled step for mode  101=       -0.0000005094
 Unscaled step for mode  102=        0.0000033910
 Unscaled step for mode  103=        0.0000004419
 Unscaled step for mode  104=       -0.0000029098
 Unscaled step for mode  105=       -0.0000024055
 Unscaled step for mode  106=        0.0000006003
 Unscaled step for mode  107=        0.0000056417
 Unscaled step for mode  108=        0.0000004223
 Unscaled step for mode  109=       -0.0000053575
 Unscaled step for mode  110=       -0.0004382081
 Unscaled step for mode  111=       -0.0003986751
 Unscaled step for mode  112=       -0.0006273943
 Unscaled step for mode  113=       -0.0027673089
 Unscaled step for mode  114=       -0.1436833934
 Largest modulus ratio of non-zero e/values=           170.5022981    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.245463E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.111564E-15    0.100715E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.122779E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.110097E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.979685E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.204101E-16    0.973875E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.384239E-05    0.732595E+03  0.524490E-08 0.100000E-04    0.991719E+00
   8   -0.446597E-05    0.673465E+03  0.663133E-08 0.100000E-04    0.999483E+00
   9   -0.117913E-07    0.626803E+03  0.188118E-10 0.100000E-04    0.324144E+00
  10    0.195878E-05    0.604251E+03 -0.324167E-08 0.100000E-04    0.984689E+00
  11   -0.138586E-05    0.588396E+03  0.235532E-08 0.100000E-04    0.998671E+00
  12   -0.154709E-05    0.570900E+03  0.270991E-08 0.100000E-04    0.982621E+00
  13   -0.345759E-05    0.566831E+03  0.609986E-08 0.100000E-04    0.994068E+00
  14   -0.215508E-05    0.482600E+03  0.446557E-08 0.100000E-04    0.987685E+00
  15    0.180165E-05    0.465346E+03 -0.387164E-08 0.100000E-04    0.988319E+00
  16    0.569997E-05    0.461390E+03 -0.123539E-07 0.100000E-04    0.994232E+00
  17    0.430079E-05    0.441375E+03 -0.974408E-08 0.100000E-04    0.993365E+00
  18    0.498172E-05    0.429773E+03 -0.115915E-07 0.100000E-04    0.997285E+00
  19   -0.156458E-04    0.421777E+03  0.370949E-07 0.100000E-04    0.996608E+00
  20    0.787030E-05    0.407862E+03 -0.192965E-07 0.100000E-04    0.998930E+00
  21    0.722874E-05    0.397457E+03 -0.181875E-07 0.100000E-04    0.999653E+00
  22   -0.667631E-05    0.388841E+03  0.171698E-07 0.100000E-04    0.991154E+00
  23    0.277970E-06    0.367810E+03 -0.755743E-09 0.100000E-04    0.996633E+00
  24   -0.129643E-05    0.361861E+03  0.358266E-08 0.100000E-04    0.968494E+00
  25   -0.191994E-04    0.350935E+03  0.547093E-07 0.100000E-04    0.997853E+00
  26   -0.316700E-04    0.336442E+03  0.941324E-07 0.100000E-04    0.997235E+00
  27   -0.159587E-04    0.325769E+03  0.489877E-07 0.100000E-04    0.998521E+00
  28    0.124872E-04    0.321471E+03 -0.388440E-07 0.100000E-04    0.991767E+00
  29    0.755152E-05    0.320178E+03 -0.235854E-07 0.100000E-04    0.978646E+00
  30   -0.245290E-04    0.312985E+03  0.783712E-07 0.100000E-04    0.999677E+00
  31   -0.132911E-04    0.304103E+03  0.437059E-07 0.100000E-04    0.996203E+00
  32   -0.574917E-05    0.288469E+03  0.199299E-07 0.100000E-04    0.990488E+00
  33    0.112588E-04    0.278852E+03 -0.403756E-07 0.100000E-04    0.993363E+00
  34    0.945589E-05    0.270731E+03 -0.349273E-07 0.100000E-04    0.990716E+00
  35    0.236564E-04    0.266765E+03 -0.886790E-07 0.100000E-04    0.999543E+00
  36    0.162492E-04    0.264127E+03 -0.615202E-07 0.100000E-04    0.994866E+00
  37   -0.171400E-04    0.259405E+03  0.660743E-07 0.100000E-04    0.996574E+00
  38   -0.157458E-05    0.253890E+03  0.620183E-08 0.100000E-04    0.970456E+00
  39   -0.186873E-04    0.242321E+03  0.771179E-07 0.100000E-04    0.997295E+00
  40   -0.771557E-05    0.238102E+03  0.324045E-07 0.100000E-04    0.970080E+00
  41   -0.364549E-04    0.235235E+03  0.154972E-06 0.100000E-04    0.996551E+00
  42   -0.108444E-04    0.228559E+03  0.474470E-07 0.100000E-04    0.994664E+00
  43   -0.127987E-04    0.220453E+03  0.580563E-07 0.100000E-04    0.996171E+00
  44   -0.228559E-04    0.213660E+03  0.106973E-06 0.100000E-04    0.995727E+00
  45    0.884213E-06    0.212220E+03 -0.416648E-08 0.100000E-04    0.933450E+00
  46    0.224262E-04    0.207442E+03 -0.108108E-06 0.100000E-04    0.995643E+00
  47   -0.296012E-04    0.203531E+03  0.145439E-06 0.100000E-04    0.999965E+00
  48    0.430967E-05    0.197597E+03 -0.218104E-07 0.100000E-04    0.992984E+00
  49   -0.233080E-04    0.195317E+03  0.119334E-06 0.100000E-04    0.998549E+00
  50    0.946680E-05    0.191544E+03 -0.494236E-07 0.100000E-04    0.989335E+00
  51   -0.152028E-04    0.184417E+03  0.824372E-07 0.100000E-04    0.999636E+00
  52    0.280005E-05    0.175239E+03 -0.159785E-07 0.100000E-04    0.994856E+00
  53    0.122373E-04    0.171768E+03 -0.712432E-07 0.100000E-04    0.997318E+00
  54    0.159568E-04    0.167549E+03 -0.952367E-07 0.100000E-04    0.996984E+00
  55   -0.198781E-04    0.165126E+03  0.120381E-06 0.100000E-04    0.999063E+00
  56   -0.592867E-05    0.159146E+03  0.372531E-07 0.100000E-04    0.991724E+00
  57   -0.920435E-05    0.153893E+03  0.598100E-07 0.100000E-04    0.994221E+00
  58    0.230647E-04    0.151260E+03 -0.152484E-06 0.100000E-04    0.997576E+00
  59   -0.219973E-06    0.148764E+03  0.147867E-08 0.109000E-04    0.117870E+00
  60   -0.213454E-04    0.143237E+03  0.149021E-06 0.100000E-04    0.999349E+00
  61    0.252491E-04    0.137077E+03 -0.184196E-06 0.100000E-04    0.992269E+00
  62   -0.304603E-04    0.135772E+03  0.224348E-06 0.100000E-04    0.999911E+00
  63    0.229715E-04    0.130691E+03 -0.175769E-06 0.100000E-04    0.996212E+00
  64   -0.235582E-04    0.127991E+03  0.184061E-06 0.100000E-04    0.994260E+00
  65   -0.148187E-04    0.126082E+03  0.117532E-06 0.100000E-04    0.982153E+00
  66   -0.231341E-04    0.125588E+03  0.184206E-06 0.100000E-04    0.997411E+00
  67   -0.625800E-05    0.119714E+03  0.522744E-07 0.100000E-04    0.997113E+00
  68    0.902028E-05    0.118057E+03 -0.764065E-07 0.100000E-04    0.997937E+00
  69   -0.528543E-05    0.116998E+03  0.451755E-07 0.100000E-04    0.988869E+00
  70    0.245713E-04    0.111112E+03 -0.221140E-06 0.100000E-04    0.999527E+00
  71   -0.522226E-05    0.108009E+03  0.483503E-07 0.100000E-04    0.994249E+00
  72   -0.543124E-04    0.104802E+03  0.518236E-06 0.100000E-04    0.994123E+00
  73   -0.264344E-04    0.103078E+03  0.256451E-06 0.100000E-04    0.997420E+00
  74   -0.292340E-04    0.997986E+02  0.292930E-06 0.100000E-04    0.998372E+00
  75    0.677315E-04    0.959886E+02 -0.705620E-06 0.100000E-04    0.995034E+00
  76    0.130087E-04    0.949316E+02 -0.137033E-06 0.100000E-04    0.962106E+00
  77    0.604043E-04    0.927494E+02 -0.651263E-06 0.100000E-04    0.997861E+00
  78    0.755295E-06    0.904452E+02 -0.835086E-08 0.100000E-04    0.998556E+00
  79   -0.110194E-04    0.897726E+02  0.122748E-06 0.100000E-04    0.999979E+00
  80    0.212750E-04    0.849475E+02 -0.250449E-06 0.100000E-04    0.999302E+00
  81   -0.210787E-04    0.809160E+02  0.260501E-06 0.100000E-04    0.996586E+00
  82   -0.133799E-07    0.797765E+02  0.167718E-09 0.109000E-04    0.154857E+00
  83    0.155543E-04    0.783107E+02 -0.198623E-06 0.100000E-04    0.994432E+00
  84    0.376851E-04    0.727647E+02 -0.517905E-06 0.100000E-04    0.993302E+00
  85    0.436276E-04    0.721467E+02 -0.604708E-06 0.100000E-04    0.996535E+00
  86   -0.146888E-06    0.682886E+02  0.215099E-08 0.100000E-04    0.432583E+00
  87   -0.424147E-04    0.667476E+02  0.635448E-06 0.100000E-04    0.999329E+00
  88    0.397135E-05    0.632500E+02 -0.627882E-07 0.100000E-04    0.977573E+00
  89    0.523170E-04    0.602757E+02 -0.867961E-06 0.100000E-04    0.999456E+00
  90   -0.326888E-04    0.597196E+02  0.547372E-06 0.100000E-04    0.985753E+00
  91    0.352640E-05    0.590607E+02 -0.597081E-07 0.100000E-04    0.954824E+00
  92   -0.607896E-04    0.560288E+02  0.108497E-05 0.100000E-04    0.999043E+00
  93   -0.307576E-04    0.528343E+02  0.582153E-06 0.100000E-04    0.998352E+00
  94   -0.453959E-04    0.522757E+02  0.868395E-06 0.100000E-04    0.994494E+00
  95   -0.250520E-04    0.500938E+02  0.500102E-06 0.100000E-04    0.997683E+00
  96    0.833149E-05    0.476049E+02 -0.175013E-06 0.100000E-04    0.982927E+00
  97   -0.410881E-04    0.428992E+02  0.957784E-06 0.100000E-04    0.994050E+00
  98    0.407548E-04    0.403522E+02 -0.100998E-05 0.100000E-04    0.994754E+00
  99   -0.119981E-03    0.373569E+02  0.321175E-05 0.100000E-04    0.996031E+00
 100   -0.102986E-03    0.361167E+02  0.285147E-05 0.100000E-04    0.996951E+00
 101    0.177235E-04    0.347896E+02 -0.509448E-06 0.100000E-04    0.975989E+00
 102   -0.977331E-04    0.288212E+02  0.339101E-05 0.100000E-04    0.996554E+00
 103   -0.126686E-04    0.286706E+02  0.441866E-06 0.100000E-04    0.965811E+00
 104    0.803433E-04    0.276116E+02 -0.290977E-05 0.100000E-04    0.988655E+00
 105    0.552358E-04    0.229620E+02 -0.240554E-05 0.100000E-04    0.998866E+00
 106   -0.128898E-04    0.214725E+02  0.600292E-06 0.100000E-04    0.915045E+00
 107   -0.114718E-03    0.203338E+02  0.564173E-05 0.100000E-04    0.993596E+00
 108   -0.710300E-05    0.168195E+02  0.422307E-06 0.100000E-04    0.919401E+00
 109    0.738517E-04    0.137847E+02 -0.535752E-05 0.100000E-04    0.998001E+00
 110    0.536923E-02    0.122527E+02 -0.100000E-04 0.100000E-04    0.466041E+00
 111    0.393611E-02    0.987298E+01 -0.100000E-04 0.100000E-04    0.736354E+00
 112    0.566934E-02    0.903633E+01 -0.100000E-04 0.100000E-04    0.327544E+00
 113    0.199932E-01    0.722471E+01 -0.149811E-04 0.149811E-04    0.697461E-01
 114   -0.630376E+00    0.429669E+01 -0.400000E-03 0.400000E-03    0.511143E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1436833934    

 Beginning of optimization cycle  317.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3597915387
 potential> RMS force:                                               0.0592357489   |gradient|=.6324647264    
 Eigenvalues of the Hessian matrix:
   732.65700    673.47395    626.81496    604.24387    588.38596    570.94269 
   566.83780    482.62456    465.32249    461.38349    441.37585    429.76574 
   421.78201    407.87022    397.45224    388.84017    367.81699    361.85187 
   350.92736    336.42065    325.78056    321.46892    320.18388    312.95951 
   304.09219    288.47753    278.84654    270.73247    266.77380    264.13498 
   259.41856    253.89173    242.31684    238.11279    235.22302    228.55543 
   220.43210    213.66826    212.22625    207.43554    203.53247    197.59060 
   195.31432    191.54264    184.40674    175.22782    171.77412    167.54906 
   165.11963    159.13554    153.89816    151.26496    148.75633    143.23931 
   137.07958    135.77568    130.68968    127.99564    126.08334    125.58761 
   119.71623    118.05749    116.99939    111.10612    107.99999    104.79934 
   103.07843     99.79712     95.98196     94.92548     92.76212     90.44839 
    89.76912     84.95032     80.91588     79.77894     78.30938     72.76600 
    72.15130     68.28826     66.73496     63.24715     60.26664     59.72021 
    59.06143     56.02948     52.83070     52.27648     50.09247     47.60084 
    42.89789     40.35467     37.36123     36.12020     34.77789     28.82072 
    28.66948     27.60341     22.96347     21.46644     20.33854     16.81922 
    13.78503     12.25234      9.87428      9.02862      7.21901      4.29202 
overlap for current and previous eigenvector    109 is        -0.9999996187
overlap for current and previous eigenvector    110 is        -0.9999994838
overlap for current and previous eigenvector    111 is        -0.9999962911
overlap for current and previous eigenvector    112 is         0.9999903271
overlap for current and previous eigenvector    113 is         0.9999938790
overlap for current and previous eigenvector    114 is         0.9999997172
J1,K1,R1,R2,RAT=   7   7   -0.6831268207E-02     2.006661149        0.9931687318    
FOB,PFOB,DIAG,PSTEP=   -0.3868638597E-05   -0.3842387981E-05     732.6570000        0.5244902923E-08
J1,K1,R1,R2,RAT=   8   8   -0.8380880686E-02     2.008353850        0.9916191193    
FOB,PFOB,DIAG,PSTEP=   -0.4503394379E-05   -0.4465965152E-05     673.4739544        0.6631326250E-08
J1,K1,R1,R2,RAT=   9   9   -0.9027614445E-01     2.090237266        0.9097238555    
FOB,PFOB,DIAG,PSTEP=   -0.1285577180E-07   -0.1179127983E-07     626.8149557        0.1881178638E-10
J1,K1,R1,R2,RAT=  10  10    0.7725254402E-02     1.992296849        0.9922747456    
FOB,PFOB,DIAG,PSTEP=    0.1943651423E-05    0.1958783355E-05     604.2438667       -0.3241674124E-08
J1,K1,R1,R2,RAT=  11  11   -0.7237579505E-02     2.007270825        0.9927624205    
FOB,PFOB,DIAG,PSTEP=   -0.1395890395E-05   -0.1385860288E-05     588.3859604        0.2355320054E-08
J1,K1,R1,R2,RAT= 109 109     1.995058354        0.4890416218E-02    0.9950583544    
FOB,PFOB,DIAG,PSTEP=   -0.7349052600E-04    0.7385170080E-04     13.78502597       -0.5357522918E-05
J1,K1,R1,R2,RAT= 110 110     88.17401133       -0.5298355815        0.4701644185    
FOB,PFOB,DIAG,PSTEP=   -0.5434146768E-02    0.5369229531E-02     12.25233619       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     79.45446921        0.2700901132        0.7299098868    
FOB,PFOB,DIAG,PSTEP=   -0.3909444132E-02    0.3936113589E-02     9.874281207       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8232895847         126.4093060        0.1767104153    
FOB,PFOB,DIAG,PSTEP=    0.5743674903E-02    0.5669343201E-02     9.028621757       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7805412343         370.5146328        0.2194587657    
FOB,PFOB,DIAG,PSTEP=    0.2007758225E-01    0.1999316757E-01     7.219011337       -0.1498112339E-04
J1,K1,R1,R2,RAT= 114 114    0.9948531365        -735.3530260        0.5146863471E-02
FOB,PFOB,DIAG,PSTEP=   -0.6320843334       -0.6303763606         4.292022503       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002     -0.00001     -0.00001      0.00002     -0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00002      0.00002      0.00002 
    -0.00001      0.00001      0.00001      0.00002     -0.00001      0.00005 
     0.00003     -0.00003     -0.00007     -0.00001     -0.00006      0.00000 
    -0.00001      0.00002     -0.00002      0.00000     -0.00002     -0.00004 
    -0.00004     -0.00000      0.00004      0.00000      0.00005      0.00003 
    -0.00000     -0.00006     -0.00003     -0.00005      0.00002      0.00001 
    -0.00004      0.00004      0.00012      0.00010      0.00002     -0.00010 
     0.00001      0.00008      0.00006     -0.00001     -0.00011     -0.00001 
    -0.00007     -0.00543     -0.00391      0.00574      0.02008     -0.63208 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4276860975
 Log product of positive Hessian eigenvalues =          519.8641392917
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2920225029
 Unscaled step for mode    7=        0.0000000053
 Unscaled step for mode    8=        0.0000000067
 Unscaled step for mode    9=        0.0000000000
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000028
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000044
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000124
 Unscaled step for mode   17=       -0.0000000097
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000372
 Unscaled step for mode   20=       -0.0000000192
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000172
 Unscaled step for mode   23=       -0.0000000008
 Unscaled step for mode   24=        0.0000000036
 Unscaled step for mode   25=        0.0000000549
 Unscaled step for mode   26=        0.0000000943
 Unscaled step for mode   27=        0.0000000491
 Unscaled step for mode   28=       -0.0000000391
 Unscaled step for mode   29=       -0.0000000239
 Unscaled step for mode   30=        0.0000000785
 Unscaled step for mode   31=        0.0000000441
 Unscaled step for mode   32=        0.0000000200
 Unscaled step for mode   33=       -0.0000000404
 Unscaled step for mode   34=       -0.0000000351
 Unscaled step for mode   35=       -0.0000000888
 Unscaled step for mode   36=       -0.0000000618
 Unscaled step for mode   37=        0.0000000663
 Unscaled step for mode   38=        0.0000000061
 Unscaled step for mode   39=        0.0000000772
 Unscaled step for mode   40=        0.0000000332
 Unscaled step for mode   41=        0.0000001555
 Unscaled step for mode   42=        0.0000000477
 Unscaled step for mode   43=        0.0000000585
 Unscaled step for mode   44=        0.0000001076
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001087
 Unscaled step for mode   47=        0.0000001456
 Unscaled step for mode   48=       -0.0000000220
 Unscaled step for mode   49=        0.0000001199
 Unscaled step for mode   50=       -0.0000000491
 Unscaled step for mode   51=        0.0000000829
 Unscaled step for mode   52=       -0.0000000162
 Unscaled step for mode   53=       -0.0000000715
 Unscaled step for mode   54=       -0.0000000959
 Unscaled step for mode   55=       -0.0000001205
 Unscaled step for mode   56=        0.0000000369
 Unscaled step for mode   57=        0.0000000603
 Unscaled step for mode   58=       -0.0000001528
 Unscaled step for mode   59=        0.0000000016
 Unscaled step for mode   60=        0.0000001497
 Unscaled step for mode   61=        0.0000001848
 Unscaled step for mode   62=        0.0000002239
 Unscaled step for mode   63=       -0.0000001754
 Unscaled step for mode   64=        0.0000001853
 Unscaled step for mode   65=       -0.0000001192
 Unscaled step for mode   66=       -0.0000001829
 Unscaled step for mode   67=        0.0000000528
 Unscaled step for mode   68=       -0.0000000765
 Unscaled step for mode   69=       -0.0000000452
 Unscaled step for mode   70=       -0.0000002223
 Unscaled step for mode   71=        0.0000000485
 Unscaled step for mode   72=       -0.0000005195
 Unscaled step for mode   73=       -0.0000002573
 Unscaled step for mode   74=        0.0000002921
 Unscaled step for mode   75=        0.0000007094
 Unscaled step for mode   76=        0.0000001323
 Unscaled step for mode   77=        0.0000006504
 Unscaled step for mode   78=       -0.0000000105
 Unscaled step for mode   79=        0.0000001210
 Unscaled step for mode   80=       -0.0000002514
 Unscaled step for mode   81=        0.0000002609
 Unscaled step for mode   82=       -0.0000000023
 Unscaled step for mode   83=        0.0000002002
 Unscaled step for mode   84=        0.0000005190
 Unscaled step for mode   85=        0.0000006036
 Unscaled step for mode   86=        0.0000000057
 Unscaled step for mode   87=       -0.0000006369
 Unscaled step for mode   88=       -0.0000000634
 Unscaled step for mode   89=       -0.0000008682
 Unscaled step for mode   90=       -0.0000005506
 Unscaled step for mode   91=        0.0000000616
 Unscaled step for mode   92=        0.0000010877
 Unscaled step for mode   93=        0.0000005775
 Unscaled step for mode   94=        0.0000008691
 Unscaled step for mode   95=       -0.0000004948
 Unscaled step for mode   96=       -0.0000001745
 Unscaled step for mode   97=        0.0000009568
 Unscaled step for mode   98=       -0.0000010135
 Unscaled step for mode   99=       -0.0000032119
 Unscaled step for mode  100=       -0.0000028471
 Unscaled step for mode  101=       -0.0000005113
 Unscaled step for mode  102=        0.0000033901
 Unscaled step for mode  103=       -0.0000004573
 Unscaled step for mode  104=       -0.0000029084
 Unscaled step for mode  105=       -0.0000024187
 Unscaled step for mode  106=        0.0000005780
 Unscaled step for mode  107=        0.0000056521
 Unscaled step for mode  108=        0.0000004076
 Unscaled step for mode  109=        0.0000053312
 Unscaled step for mode  110=        0.0004435191
 Unscaled step for mode  111=        0.0003959218
 Unscaled step for mode  112=       -0.0006361627
 Unscaled step for mode  113=       -0.0027811879
 Unscaled step for mode  114=       -0.1442070076
 Largest modulus ratio of non-zero e/values=           170.7020407    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.360822E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.151669E-14    0.100715E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.378603E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.579267E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.179578E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.141922E-15    0.973877E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.386864E-05    0.732657E+03  0.528029E-08 0.100000E-04    0.993169E+00
   8   -0.450339E-05    0.673474E+03  0.668681E-08 0.100000E-04    0.991619E+00
   9   -0.128558E-07    0.626815E+03  0.205097E-10 0.100000E-04    0.909724E+00
  10    0.194365E-05    0.604244E+03 -0.321667E-08 0.100000E-04    0.992275E+00
  11   -0.139589E-05    0.588386E+03  0.237241E-08 0.100000E-04    0.992762E+00
  12   -0.159157E-05    0.570943E+03  0.278762E-08 0.100000E-04    0.971249E+00
  13   -0.348580E-05    0.566838E+03  0.614956E-08 0.100000E-04    0.991841E+00
  14   -0.210930E-05    0.482625E+03  0.437048E-08 0.100000E-04    0.978653E+00
  15    0.182423E-05    0.465322E+03 -0.392035E-08 0.100000E-04    0.987471E+00
  16    0.571406E-05    0.461383E+03 -0.123846E-07 0.100000E-04    0.997528E+00
  17    0.430113E-05    0.441376E+03 -0.974481E-08 0.100000E-04    0.999922E+00
  18    0.500252E-05    0.429766E+03 -0.116401E-07 0.100000E-04    0.995825E+00
  19   -0.156789E-04    0.421782E+03  0.371729E-07 0.100000E-04    0.997887E+00
  20    0.784710E-05    0.407870E+03 -0.192392E-07 0.100000E-04    0.997012E+00
  21    0.721968E-05    0.397452E+03 -0.181649E-07 0.100000E-04    0.998746E+00
  22   -0.669812E-05    0.388840E+03  0.172259E-07 0.100000E-04    0.996732E+00
  23    0.295019E-06    0.367817E+03 -0.802082E-09 0.100000E-04    0.938665E+00
  24   -0.131461E-05    0.361852E+03  0.363300E-08 0.100000E-04    0.985975E+00
  25   -0.192584E-04    0.350927E+03  0.548787E-07 0.100000E-04    0.996925E+00
  26   -0.317248E-04    0.336421E+03  0.943011E-07 0.100000E-04    0.998270E+00
  27   -0.160055E-04    0.325781E+03  0.491298E-07 0.100000E-04    0.997063E+00
  28    0.125767E-04    0.321469E+03 -0.391225E-07 0.100000E-04    0.992836E+00
  29    0.766059E-05    0.320184E+03 -0.239256E-07 0.100000E-04    0.985557E+00
  30   -0.245707E-04    0.312960E+03  0.785107E-07 0.100000E-04    0.998301E+00
  31   -0.133970E-04    0.304092E+03  0.440558E-07 0.100000E-04    0.992032E+00
  32   -0.576060E-05    0.288478E+03  0.199690E-07 0.100000E-04    0.998012E+00
  33    0.112650E-04    0.278847E+03 -0.403986E-07 0.100000E-04    0.999449E+00
  34    0.949718E-05    0.270732E+03 -0.350796E-07 0.100000E-04    0.995633E+00
  35    0.236878E-04    0.266774E+03 -0.887935E-07 0.100000E-04    0.998675E+00
  36    0.163179E-04    0.264135E+03 -0.617787E-07 0.100000E-04    0.995768E+00
  37   -0.171992E-04    0.259419E+03  0.662992E-07 0.100000E-04    0.996545E+00
  38   -0.154170E-05    0.253892E+03  0.607226E-08 0.100000E-04    0.979101E+00
  39   -0.187153E-04    0.242317E+03  0.772350E-07 0.100000E-04    0.998499E+00
  40   -0.789569E-05    0.238113E+03  0.331595E-07 0.100000E-04    0.976656E+00
  41   -0.365744E-04    0.235223E+03  0.155488E-06 0.100000E-04    0.996724E+00
  42   -0.108981E-04    0.228555E+03  0.476826E-07 0.100000E-04    0.995051E+00
  43   -0.129005E-04    0.220432E+03  0.585237E-07 0.100000E-04    0.992043E+00
  44   -0.229917E-04    0.213668E+03  0.107605E-06 0.100000E-04    0.994060E+00
  45    0.825533E-06    0.212226E+03 -0.388987E-08 0.100000E-04    0.933583E+00
  46    0.225398E-04    0.207436E+03 -0.108659E-06 0.100000E-04    0.994936E+00
  47   -0.296318E-04    0.203532E+03  0.145588E-06 0.100000E-04    0.998966E+00
  48    0.434658E-05    0.197591E+03 -0.219979E-07 0.100000E-04    0.991435E+00
  49   -0.234210E-04    0.195314E+03  0.119914E-06 0.100000E-04    0.995154E+00
  50    0.939967E-05    0.191543E+03 -0.490735E-07 0.100000E-04    0.992909E+00
  51   -0.152869E-04    0.184407E+03  0.828977E-07 0.100000E-04    0.994469E+00
  52    0.284395E-05    0.175228E+03 -0.162300E-07 0.100000E-04    0.984321E+00
  53    0.122823E-04    0.171774E+03 -0.715025E-07 0.100000E-04    0.996325E+00
  54    0.160703E-04    0.167549E+03 -0.959139E-07 0.100000E-04    0.992890E+00
  55    0.198976E-04    0.165120E+03 -0.120504E-06 0.100000E-04    0.999018E+00
  56   -0.587883E-05    0.159136E+03  0.369423E-07 0.100000E-04    0.991592E+00
  57   -0.927324E-05    0.153898E+03  0.602557E-07 0.100000E-04    0.992515E+00
  58    0.231153E-04    0.151265E+03 -0.152813E-06 0.100000E-04    0.997808E+00
  59   -0.241004E-06    0.148756E+03  0.162013E-08 0.100000E-04    0.904388E+00
  60   -0.214359E-04    0.143239E+03  0.149651E-06 0.100000E-04    0.995760E+00
  61   -0.253352E-04    0.137080E+03  0.184821E-06 0.100000E-04    0.996588E+00
  62   -0.303993E-04    0.135776E+03  0.223894E-06 0.100000E-04    0.997948E+00
  63    0.229204E-04    0.130690E+03 -0.175381E-06 0.100000E-04    0.997778E+00
  64   -0.237196E-04    0.127996E+03  0.185316E-06 0.100000E-04    0.993151E+00
  65    0.150322E-04    0.126083E+03 -0.119224E-06 0.100000E-04    0.985591E+00
  66    0.229728E-04    0.125588E+03 -0.182922E-06 0.100000E-04    0.993026E+00
  67   -0.632251E-05    0.119716E+03  0.528125E-07 0.100000E-04    0.989691E+00
  68    0.903137E-05    0.118057E+03 -0.764997E-07 0.100000E-04    0.998771E+00
  69    0.529088E-05    0.116999E+03 -0.452215E-07 0.100000E-04    0.998968E+00
  70    0.247026E-04    0.111106E+03 -0.222334E-06 0.100000E-04    0.994655E+00
  71   -0.524046E-05    0.108000E+03  0.485227E-07 0.100000E-04    0.996516E+00
  72    0.544457E-04    0.104799E+03 -0.519523E-06 0.100000E-04    0.997546E+00
  73    0.265239E-04    0.103078E+03 -0.257318E-06 0.100000E-04    0.996615E+00
  74   -0.291525E-04    0.997971E+02  0.292117E-06 0.100000E-04    0.997209E+00
  75   -0.680884E-04    0.959820E+02  0.709387E-06 0.100000E-04    0.994730E+00
  76   -0.125595E-04    0.949255E+02  0.132309E-06 0.100000E-04    0.965466E+00
  77   -0.603300E-04    0.927621E+02  0.650373E-06 0.100000E-04    0.998497E+00
  78    0.952897E-06    0.904484E+02 -0.105353E-07 0.100000E-04    0.738387E+00
  79   -0.108586E-04    0.897691E+02  0.120962E-06 0.100000E-04    0.985406E+00
  80    0.213540E-04    0.849503E+02 -0.251370E-06 0.100000E-04    0.996289E+00
  81   -0.211137E-04    0.809159E+02  0.260934E-06 0.100000E-04    0.998341E+00
  82    0.180269E-06    0.797789E+02 -0.225961E-08 0.100000E-04    0.114728E+02
  83   -0.156738E-04    0.783094E+02  0.200152E-06 0.100000E-04    0.992319E+00
  84   -0.377666E-04    0.727660E+02  0.519014E-06 0.100000E-04    0.997839E+00
  85   -0.435520E-04    0.721513E+02  0.603620E-06 0.100000E-04    0.998137E+00
  86   -0.391785E-06    0.682883E+02  0.573722E-08 0.100000E-04    0.667238E+00
  87    0.425017E-04    0.667350E+02 -0.636874E-06 0.100000E-04    0.997946E+00
  88    0.400875E-05    0.632471E+02 -0.633823E-07 0.100000E-04    0.990583E+00
  89    0.523221E-04    0.602666E+02 -0.868177E-06 0.100000E-04    0.999902E+00
  90    0.328829E-04    0.597202E+02 -0.550616E-06 0.100000E-04    0.994064E+00
  91   -0.363631E-05    0.590614E+02  0.615682E-07 0.100000E-04    0.968834E+00
  92   -0.609445E-04    0.560295E+02  0.108772E-05 0.100000E-04    0.997451E+00
  93   -0.305123E-04    0.528307E+02  0.577549E-06 0.100000E-04    0.992024E+00
  94   -0.454346E-04    0.522765E+02  0.869120E-06 0.100000E-04    0.999149E+00
  95    0.247880E-04    0.500925E+02 -0.494844E-06 0.100000E-04    0.989462E+00
  96    0.830420E-05    0.476008E+02 -0.174455E-06 0.100000E-04    0.996724E+00
  97   -0.410465E-04    0.428979E+02  0.956842E-06 0.100000E-04    0.998986E+00
  98    0.408988E-04    0.403547E+02 -0.101348E-05 0.100000E-04    0.996468E+00
  99    0.120001E-03    0.373612E+02 -0.321191E-05 0.100000E-04    0.999836E+00
 100    0.102838E-03    0.361202E+02 -0.284711E-05 0.100000E-04    0.998373E+00
 101    0.177818E-04    0.347779E+02 -0.511295E-06 0.100000E-04    0.996712E+00
 102   -0.977048E-04    0.288207E+02  0.339009E-05 0.100000E-04    0.999711E+00
 103    0.131105E-04    0.286695E+02 -0.457300E-06 0.100000E-04    0.965112E+00
 104    0.802809E-04    0.276034E+02 -0.290837E-05 0.100000E-04    0.999222E+00
 105    0.555415E-04    0.229635E+02 -0.241869E-05 0.100000E-04    0.994467E+00
 106   -0.124085E-04    0.214664E+02  0.578040E-06 0.100000E-04    0.962650E+00
 107   -0.114955E-03    0.203385E+02  0.565207E-05 0.100000E-04    0.997933E+00
 108   -0.685490E-05    0.168192E+02  0.407564E-06 0.100000E-04    0.965071E+00
 109   -0.734905E-04    0.137850E+02  0.533119E-05 0.100000E-04    0.995058E+00
 110   -0.543415E-02    0.122523E+02  0.100000E-04 0.100000E-04    0.470164E+00
 111   -0.390944E-02    0.987428E+01  0.100000E-04 0.100000E-04    0.729910E+00
 112    0.574367E-02    0.902862E+01 -0.109000E-04 0.109000E-04    0.176710E+00
 113    0.200776E-01    0.721901E+01 -0.134965E-04 0.134965E-04    0.219459E+00
 114   -0.632084E+00    0.429202E+01 -0.400000E-03 0.400000E-03    0.514686E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1442070076    

 Beginning of optimization cycle  318.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3595387880
 potential> RMS force:                                               0.0593958176   |gradient|=.6341737926    
 Eigenvalues of the Hessian matrix:
   732.71933    673.48320    626.82718    604.23689    588.37630    570.98550 
   566.84461    482.64966    465.29921    461.37648    441.37705    429.75793 
   421.78640    407.87833    397.44719    388.83942    367.82389    361.84302 
   350.91995    336.39986    325.79246    321.46719    320.19006    312.93432 
   304.08095    288.48619    278.84129    270.73435    266.78262    264.14269 
   259.43192    253.89352    242.31243    238.12379    235.21097    228.55195 
   220.41145    213.67601    212.23208    207.42905    203.53422    197.58435 
   195.31115    191.54143    184.39658    175.21645    171.77997    167.54896 
   165.11310    159.12546    153.90308    151.27017    148.74888    143.24172 
   137.08178    135.77901    130.68806    127.99996    126.08506    125.58675 
   119.71810    118.05843    117.00109    111.10007    107.99118    104.79636 
   103.07918     99.79564     95.97547     94.91922     92.77478     90.45164 
    89.76563     84.95317     80.91577     79.78133     78.30813     72.76740 
    72.15600     68.28798     66.72232     63.24424     60.25770     59.72083 
    59.06217     56.03017     52.82716     52.27733     50.09118     47.59681 
    42.89663     40.35718     37.36556     36.12381     34.76620     28.82026 
    28.66832     27.59524     22.96497     21.46037     20.34334     16.81890 
    13.78539     12.25198      9.87558      9.02099      7.21327      4.28734 
overlap for current and previous eigenvector    109 is         0.9999996242
overlap for current and previous eigenvector    110 is         0.9999994877
overlap for current and previous eigenvector    111 is         0.9999965082
overlap for current and previous eigenvector    112 is         0.9999905671
overlap for current and previous eigenvector    113 is         0.9999939012
overlap for current and previous eigenvector    114 is         0.9999997182
J1,K1,R1,R2,RAT=   7   7   -0.8243269627E-02     2.008073141        0.9917567304    
FOB,PFOB,DIAG,PSTEP=   -0.3900531541E-05   -0.3868638597E-05     732.7193282        0.5280286132E-08
J1,K1,R1,R2,RAT=   8   8    0.4412597919E-03     1.999531295        0.9995312948    
FOB,PFOB,DIAG,PSTEP=   -0.4501407185E-05   -0.4503394379E-05     673.4831964        0.6686812979E-08
J1,K1,R1,R2,RAT=   9   9    -1.301431996         3.301392985        0.3014319961    
FOB,PFOB,DIAG,PSTEP=   -0.2958701091E-07   -0.1285577180E-07     626.8271823        0.2050967624E-10
J1,K1,R1,R2,RAT=  10  10   -0.1498211978E-01     2.015005208        0.9850178802    
FOB,PFOB,DIAG,PSTEP=    0.1972771105E-05    0.1943651423E-05     604.2368914       -0.3216667193E-08
J1,K1,R1,R2,RAT=  11  11   -0.1188683549E-02     2.001221512        0.9988113165    
FOB,PFOB,DIAG,PSTEP=   -0.1397549640E-05   -0.1395890395E-05     588.3763027        0.2372406022E-08
J1,K1,R1,R2,RAT= 109 109   -0.1791504335E-02     2.001739317        0.9982084957    
FOB,PFOB,DIAG,PSTEP=   -0.7362218803E-04   -0.7349052600E-04     13.78538568        0.5331185170E-05
J1,K1,R1,R2,RAT= 110 110   -0.5393866884         89.24578793        0.4606133116    
FOB,PFOB,DIAG,PSTEP=   -0.5500232335E-02   -0.5434146768E-02     12.25198338        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2677097656         78.90624566        0.7322902344    
FOB,PFOB,DIAG,PSTEP=   -0.3883006237E-02   -0.3909444132E-02     9.875581208        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6681758748         117.4940593        0.3318241252    
FOB,PFOB,DIAG,PSTEP=    0.5809375840E-02    0.5743674903E-02     9.020991520       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9710670121         413.4364862        0.2893298795E-01
FOB,PFOB,DIAG,PSTEP=    0.2017211952E-01    0.2007758225E-01     7.213274569       -0.1349650756E-04
J1,K1,R1,R2,RAT= 114 114    0.9948368547        -738.1461410        0.5163145347E-02
FOB,PFOB,DIAG,PSTEP=   -0.6337904168       -0.6320843334         4.287344605       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002     -0.00001      0.00001      0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00002      0.00002      0.00002 
    -0.00001      0.00001      0.00001      0.00002     -0.00001     -0.00005 
    -0.00003      0.00003      0.00007     -0.00001      0.00006     -0.00000 
     0.00001      0.00002     -0.00002      0.00000     -0.00002     -0.00004 
    -0.00004     -0.00000      0.00004      0.00000     -0.00005     -0.00003 
    -0.00000     -0.00006     -0.00003     -0.00005      0.00002      0.00001 
    -0.00004     -0.00004      0.00012     -0.00010     -0.00002      0.00010 
     0.00001      0.00008     -0.00006     -0.00001     -0.00011      0.00001 
    -0.00007     -0.00550     -0.00388      0.00581      0.02017     -0.63379 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4275429047
 Log product of positive Hessian eigenvalues =          519.8604944071
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2873446053
 Unscaled step for mode    7=        0.0000000053
 Unscaled step for mode    8=        0.0000000067
 Unscaled step for mode    9=        0.0000000000
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000028
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=        0.0000000043
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000125
 Unscaled step for mode   17=       -0.0000000098
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000373
 Unscaled step for mode   20=       -0.0000000192
 Unscaled step for mode   21=       -0.0000000182
 Unscaled step for mode   22=        0.0000000174
 Unscaled step for mode   23=       -0.0000000008
 Unscaled step for mode   24=        0.0000000037
 Unscaled step for mode   25=        0.0000000550
 Unscaled step for mode   26=        0.0000000946
 Unscaled step for mode   27=        0.0000000492
 Unscaled step for mode   28=       -0.0000000394
 Unscaled step for mode   29=       -0.0000000244
 Unscaled step for mode   30=        0.0000000785
 Unscaled step for mode   31=        0.0000000442
 Unscaled step for mode   32=        0.0000000201
 Unscaled step for mode   33=       -0.0000000407
 Unscaled step for mode   34=       -0.0000000354
 Unscaled step for mode   35=       -0.0000000888
 Unscaled step for mode   36=       -0.0000000621
 Unscaled step for mode   37=        0.0000000665
 Unscaled step for mode   38=        0.0000000059
 Unscaled step for mode   39=        0.0000000774
 Unscaled step for mode   40=        0.0000000341
 Unscaled step for mode   41=        0.0000001560
 Unscaled step for mode   42=        0.0000000479
 Unscaled step for mode   43=        0.0000000588
 Unscaled step for mode   44=        0.0000001081
 Unscaled step for mode   45=       -0.0000000042
 Unscaled step for mode   46=       -0.0000001091
 Unscaled step for mode   47=        0.0000001456
 Unscaled step for mode   48=       -0.0000000222
 Unscaled step for mode   49=        0.0000001201
 Unscaled step for mode   50=       -0.0000000496
 Unscaled step for mode   51=        0.0000000829
 Unscaled step for mode   52=       -0.0000000163
 Unscaled step for mode   53=       -0.0000000717
 Unscaled step for mode   54=       -0.0000000962
 Unscaled step for mode   55=       -0.0000001206
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=       -0.0000000606
 Unscaled step for mode   58=       -0.0000001532
 Unscaled step for mode   59=       -0.0000000023
 Unscaled step for mode   60=       -0.0000001498
 Unscaled step for mode   61=        0.0000001862
 Unscaled step for mode   62=       -0.0000002239
 Unscaled step for mode   63=        0.0000001760
 Unscaled step for mode   64=        0.0000001864
 Unscaled step for mode   65=       -0.0000001213
 Unscaled step for mode   66=       -0.0000001824
 Unscaled step for mode   67=        0.0000000530
 Unscaled step for mode   68=       -0.0000000766
 Unscaled step for mode   69=       -0.0000000457
 Unscaled step for mode   70=       -0.0000002225
 Unscaled step for mode   71=        0.0000000488
 Unscaled step for mode   72=        0.0000005225
 Unscaled step for mode   73=        0.0000002580
 Unscaled step for mode   74=       -0.0000002926
 Unscaled step for mode   75=       -0.0000007128
 Unscaled step for mode   76=        0.0000001268
 Unscaled step for mode   77=       -0.0000006490
 Unscaled step for mode   78=        0.0000000106
 Unscaled step for mode   79=       -0.0000001210
 Unscaled step for mode   80=       -0.0000002512
 Unscaled step for mode   81=        0.0000002618
 Unscaled step for mode   82=       -0.0000000032
 Unscaled step for mode   83=        0.0000001991
 Unscaled step for mode   84=        0.0000005224
 Unscaled step for mode   85=        0.0000006056
 Unscaled step for mode   86=        0.0000000088
 Unscaled step for mode   87=       -0.0000006374
 Unscaled step for mode   88=       -0.0000000648
 Unscaled step for mode   89=        0.0000008675
 Unscaled step for mode   90=        0.0000005586
 Unscaled step for mode   91=        0.0000000643
 Unscaled step for mode   92=        0.0000010867
 Unscaled step for mode   93=        0.0000005765
 Unscaled step for mode   94=        0.0000008738
 Unscaled step for mode   95=       -0.0000004960
 Unscaled step for mode   96=       -0.0000001715
 Unscaled step for mode   97=        0.0000009625
 Unscaled step for mode   98=        0.0000010186
 Unscaled step for mode   99=       -0.0000032239
 Unscaled step for mode  100=        0.0000028386
 Unscaled step for mode  101=        0.0000005234
 Unscaled step for mode  102=       -0.0000034014
 Unscaled step for mode  103=       -0.0000004717
 Unscaled step for mode  104=       -0.0000029414
 Unscaled step for mode  105=        0.0000024210
 Unscaled step for mode  106=        0.0000006247
 Unscaled step for mode  107=        0.0000056165
 Unscaled step for mode  108=       -0.0000003698
 Unscaled step for mode  109=        0.0000053406
 Unscaled step for mode  110=        0.0004489258
 Unscaled step for mode  111=        0.0003931926
 Unscaled step for mode  112=       -0.0006439839
 Unscaled step for mode  113=       -0.0027965055
 Unscaled step for mode  114=       -0.1447316033
 Largest modulus ratio of non-zero e/values=           170.9028305    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.954098E-16    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.101557E-14    0.100714E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.228983E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.565176E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.859122E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.109014E-14    0.973879E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.390053E-05    0.732719E+03  0.532336E-08 0.100000E-04    0.991757E+00
   8   -0.450141E-05    0.673483E+03  0.668377E-08 0.100000E-04    0.999531E+00
   9   -0.295870E-07    0.626827E+03  0.472012E-10 0.100000E-04    0.301432E+00
  10    0.197277E-05    0.604237E+03 -0.326490E-08 0.100000E-04    0.985018E+00
  11   -0.139755E-05    0.588376E+03  0.237527E-08 0.100000E-04    0.998811E+00
  12   -0.161744E-05    0.570985E+03  0.283272E-08 0.100000E-04    0.983748E+00
  13   -0.346526E-05    0.566845E+03  0.611324E-08 0.100000E-04    0.994083E+00
  14   -0.208289E-05    0.482650E+03  0.431554E-08 0.100000E-04    0.987378E+00
  15    0.180355E-05    0.465299E+03 -0.387610E-08 0.100000E-04    0.988665E+00
  16    0.574704E-05    0.461376E+03 -0.124563E-07 0.100000E-04    0.994227E+00
  17    0.432769E-05    0.441377E+03 -0.980497E-08 0.100000E-04    0.993824E+00
  18    0.499035E-05    0.429758E+03 -0.116120E-07 0.100000E-04    0.997567E+00
  19   -0.157321E-04    0.421786E+03  0.372987E-07 0.100000E-04    0.996606E+00
  20    0.783802E-05    0.407878E+03 -0.192166E-07 0.100000E-04    0.998803E+00
  21    0.722151E-05    0.397447E+03 -0.181697E-07 0.100000E-04    0.999746E+00
  22   -0.675589E-05    0.388839E+03  0.173745E-07 0.100000E-04    0.991376E+00
  23    0.293986E-06    0.367824E+03 -0.799258E-09 0.100000E-04    0.996461E+00
  24   -0.135533E-05    0.361843E+03  0.374562E-08 0.100000E-04    0.969025E+00
  25   -0.193002E-04    0.350920E+03  0.549989E-07 0.100000E-04    0.997830E+00
  26   -0.318110E-04    0.336400E+03  0.945630E-07 0.100000E-04    0.997284E+00
  27   -0.160278E-04    0.325792E+03  0.491964E-07 0.100000E-04    0.998607E+00
  28    0.126768E-04    0.321467E+03 -0.394341E-07 0.100000E-04    0.992040E+00
  29    0.782376E-05    0.320190E+03 -0.244347E-07 0.100000E-04    0.978700E+00
  30   -0.245608E-04    0.312934E+03  0.784856E-07 0.100000E-04    0.999600E+00
  31   -0.134490E-04    0.304081E+03  0.442283E-07 0.100000E-04    0.996121E+00
  32   -0.581285E-05    0.288486E+03  0.201495E-07 0.100000E-04    0.990929E+00
  33    0.113392E-04    0.278841E+03 -0.406656E-07 0.100000E-04    0.993410E+00
  34    0.958403E-05    0.270734E+03 -0.354001E-07 0.100000E-04    0.990856E+00
  35    0.236773E-04    0.266783E+03 -0.887512E-07 0.100000E-04    0.999491E+00
  36    0.163962E-04    0.264143E+03 -0.620734E-07 0.100000E-04    0.995200E+00
  37   -0.172578E-04    0.259432E+03  0.665216E-07 0.100000E-04    0.996594E+00
  38   -0.149252E-05    0.253894E+03  0.587854E-08 0.100000E-04    0.968090E+00
  39   -0.187648E-04    0.242312E+03  0.774405E-07 0.100000E-04    0.997357E+00
  40   -0.811788E-05    0.238124E+03  0.340910E-07 0.100000E-04    0.971861E+00
  41   -0.366973E-04    0.235211E+03  0.156018E-06 0.100000E-04    0.996640E+00
  42   -0.109553E-04    0.228552E+03  0.479335E-07 0.100000E-04    0.994753E+00
  43   -0.129492E-04    0.220411E+03  0.587501E-07 0.100000E-04    0.996224E+00
  44   -0.230902E-04    0.213676E+03  0.108062E-06 0.100000E-04    0.995718E+00
  45    0.882040E-06    0.212232E+03 -0.415602E-08 0.100000E-04    0.931554E+00
  46    0.226367E-04    0.207429E+03 -0.109130E-06 0.100000E-04    0.995702E+00
  47   -0.296310E-04    0.203534E+03  0.145582E-06 0.100000E-04    0.999955E+00
  48    0.437823E-05    0.197584E+03 -0.221588E-07 0.100000E-04    0.992718E+00
  49   -0.234552E-04    0.195311E+03  0.120091E-06 0.100000E-04    0.998538E+00
  50    0.949834E-05    0.191541E+03 -0.495890E-07 0.100000E-04    0.989503E+00
  51   -0.152927E-04    0.184397E+03  0.829337E-07 0.100000E-04    0.999621E+00
  52    0.285902E-05    0.175216E+03 -0.163171E-07 0.100000E-04    0.994703E+00
  53    0.123166E-04    0.171780E+03 -0.716999E-07 0.100000E-04    0.997205E+00
  54    0.161173E-04    0.167549E+03 -0.961943E-07 0.100000E-04    0.997077E+00
  55    0.199164E-04    0.165113E+03 -0.120623E-06 0.100000E-04    0.999058E+00
  56   -0.592544E-05    0.159125E+03  0.372375E-07 0.100000E-04    0.992071E+00
  57    0.932456E-05    0.153903E+03 -0.605872E-07 0.100000E-04    0.994466E+00
  58    0.231706E-04    0.151270E+03 -0.153173E-06 0.100000E-04    0.997609E+00
  59    0.342484E-06    0.148749E+03 -0.230243E-08 0.100000E-04    0.578907E+00
  60    0.214508E-04    0.143242E+03 -0.149752E-06 0.100000E-04    0.999305E+00
  61   -0.255281E-04    0.137082E+03  0.186225E-06 0.100000E-04    0.992389E+00
  62    0.303996E-04    0.135779E+03 -0.223890E-06 0.100000E-04    0.999960E+00
  63   -0.230051E-04    0.130688E+03  0.176031E-06 0.100000E-04    0.996307E+00
  64   -0.238544E-04    0.128000E+03  0.186363E-06 0.100000E-04    0.994315E+00
  65    0.152884E-04    0.126085E+03 -0.121255E-06 0.100000E-04    0.982957E+00
  66    0.229090E-04    0.125587E+03 -0.182416E-06 0.100000E-04    0.997224E+00
  67   -0.634065E-05    0.119718E+03  0.529632E-07 0.100000E-04    0.997132E+00
  68    0.904901E-05    0.118058E+03 -0.766486E-07 0.100000E-04    0.998047E+00
  69    0.534840E-05    0.117001E+03 -0.457124E-07 0.100000E-04    0.989130E+00
  70    0.247146E-04    0.111100E+03 -0.222454E-06 0.100000E-04    0.999515E+00
  71   -0.527024E-05    0.107991E+03  0.488025E-07 0.100000E-04    0.994315E+00
  72   -0.547610E-04    0.104796E+03  0.522547E-06 0.100000E-04    0.994207E+00
  73   -0.265897E-04    0.103079E+03  0.257954E-06 0.100000E-04    0.997518E+00
  74    0.291960E-04    0.997956E+02 -0.292558E-06 0.100000E-04    0.998505E+00
  75    0.684156E-04    0.959755E+02 -0.712845E-06 0.100000E-04    0.995194E+00
  76   -0.120330E-04    0.949192E+02  0.126771E-06 0.100000E-04    0.958073E+00
  77    0.602100E-04    0.927748E+02 -0.648991E-06 0.100000E-04    0.997738E+00
  78   -0.957299E-06    0.904516E+02  0.105835E-07 0.100000E-04    0.995381E+00
  79    0.108582E-04    0.897656E+02 -0.120961E-06 0.100000E-04    0.999959E+00
  80    0.213414E-04    0.849532E+02 -0.251214E-06 0.100000E-04    0.999346E+00
  81   -0.211842E-04    0.809158E+02  0.261805E-06 0.100000E-04    0.996660E+00
  82    0.256182E-06    0.797813E+02 -0.321105E-08 0.100000E-04    0.578907E+00
  83   -0.155885E-04    0.783081E+02  0.199066E-06 0.100000E-04    0.994559E+00
  84   -0.380151E-04    0.727674E+02  0.522420E-06 0.100000E-04    0.993419E+00
  85   -0.436982E-04    0.721560E+02  0.605607E-06 0.100000E-04    0.996643E+00
  86   -0.599115E-06    0.682880E+02  0.877336E-08 0.100000E-04    0.470804E+00
  87    0.425317E-04    0.667223E+02 -0.637443E-06 0.100000E-04    0.999296E+00
  88    0.409671E-05    0.632442E+02 -0.647760E-07 0.100000E-04    0.978058E+00
  89   -0.522752E-04    0.602577E+02  0.867528E-06 0.100000E-04    0.999104E+00
  90   -0.333579E-04    0.597208E+02  0.558564E-06 0.100000E-04    0.985553E+00
  91   -0.379840E-05    0.590622E+02  0.643119E-07 0.100000E-04    0.955425E+00
  92   -0.608870E-04    0.560302E+02  0.108668E-05 0.100000E-04    0.999031E+00
  93   -0.304564E-04    0.528272E+02  0.576529E-06 0.100000E-04    0.998166E+00
  94   -0.456811E-04    0.522773E+02  0.873823E-06 0.100000E-04    0.994573E+00
  95    0.248439E-04    0.500912E+02 -0.495973E-06 0.100000E-04    0.997746E+00
  96    0.816155E-05    0.475968E+02 -0.171473E-06 0.100000E-04    0.982821E+00
  97   -0.412898E-04    0.428966E+02  0.962541E-06 0.100000E-04    0.994073E+00
  98   -0.411094E-04    0.403572E+02  0.101864E-05 0.100000E-04    0.994850E+00
  99    0.120462E-03    0.373656E+02 -0.322389E-05 0.100000E-04    0.996154E+00
 100   -0.102541E-03    0.361238E+02  0.283859E-05 0.100000E-04    0.996908E+00
 101   -0.181962E-04    0.347662E+02  0.523386E-06 0.100000E-04    0.976688E+00
 102    0.980291E-04    0.288203E+02 -0.340140E-05 0.100000E-04    0.996681E+00
 103    0.135236E-04    0.286683E+02 -0.471727E-06 0.100000E-04    0.968491E+00
 104    0.811690E-04    0.275952E+02 -0.294141E-05 0.100000E-04    0.988934E+00
 105   -0.555984E-04    0.229650E+02  0.242101E-05 0.100000E-04    0.998975E+00
 106   -0.134065E-04    0.214604E+02  0.624710E-06 0.100000E-04    0.919544E+00
 107   -0.114258E-03    0.203433E+02  0.561647E-05 0.100000E-04    0.993464E+00
 108    0.621922E-05    0.168189E+02 -0.369775E-06 0.100000E-04    0.907264E+00
 109   -0.736222E-04    0.137854E+02  0.534060E-05 0.100000E-04    0.998208E+00
 110   -0.550023E-02    0.122520E+02  0.100000E-04 0.100000E-04    0.460613E+00
 111   -0.388301E-02    0.987558E+01  0.100000E-04 0.100000E-04    0.732290E+00
 112    0.580938E-02    0.902099E+01 -0.100000E-04 0.100000E-04    0.331824E+00
 113    0.201721E-01    0.721327E+01 -0.147112E-04 0.147112E-04    0.289330E-01
 114   -0.633790E+00    0.428734E+01 -0.400000E-03 0.400000E-03    0.516315E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1447316033    

 Beginning of optimization cycle  319.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3592853768
 potential> RMS force:                                               0.0595556900   |gradient|=.6358807622    
 Eigenvalues of the Hessian matrix:
   732.78167    673.49228    626.83934    604.23002    588.36653    571.02844 
   566.85135    482.67475    465.27593    461.36951    441.37828    429.75022 
   421.79086    407.88647    397.44215    388.83871    367.83084    361.83418 
   350.91266    336.37929    325.80445    321.46549    320.19611    312.90924 
   304.06972    288.49490    278.83605    270.73638    266.79150    264.15039 
   259.44551    253.89533    242.30811    238.13493    235.19890    228.54849 
   220.39077    213.68381    212.23795    207.42265    203.53596    197.57810 
   195.30800    191.54017    184.38644    175.20509    171.78580    167.54894 
   165.10652    159.11531    153.90804    151.27539    148.74134    143.24409 
   137.08401    135.78231    130.68641    128.00432    126.08682    125.58579 
   119.71995    118.05935    117.00275    111.09403    107.98236    104.79334 
   103.07989     99.79416     95.96905     94.91280     92.78745     90.45496 
    89.76204     84.95602     80.91564     79.78374     78.30687     72.76879 
    72.16068     68.28761     66.70968     63.24128     60.24876     59.72142 
    59.06284     56.03082     52.82359     52.27816     50.08990     47.59271 
    42.89540     40.35969     37.36987     36.12729     34.75446     28.81978 
    28.66714     27.58705     22.96651     21.45428     20.34809     16.81858 
    13.78574     12.25164      9.87690      9.01337      7.20747      4.28265 
overlap for current and previous eigenvector    109 is        -0.9999996236
overlap for current and previous eigenvector    110 is        -0.9999994880
overlap for current and previous eigenvector    111 is         0.9999966338
overlap for current and previous eigenvector    112 is         0.9999906532
overlap for current and previous eigenvector    113 is        -0.9999938610
overlap for current and previous eigenvector    114 is         0.9999997193
J1,K1,R1,R2,RAT=   7   7   -0.6768435778E-02     2.006598278        0.9932315642    
FOB,PFOB,DIAG,PSTEP=   -0.3926934284E-05   -0.3900531541E-05     732.7816727        0.5323363791E-08
J1,K1,R1,R2,RAT=   8   8   -0.8272766165E-02     2.008245797        0.9917272338    
FOB,PFOB,DIAG,PSTEP=   -0.4538646776E-05   -0.4501407185E-05     673.4922782        0.6683770596E-08
J1,K1,R1,R2,RAT=   9   9   -0.4045278573E-01     2.040414003        0.9595472143    
FOB,PFOB,DIAG,PSTEP=   -0.3078391114E-07   -0.2958701091E-07     626.8393375        0.4720122507E-10
J1,K1,R1,R2,RAT=  10  10    0.7556401876E-02     1.992466335        0.9924435981    
FOB,PFOB,DIAG,PSTEP=    0.1957864223E-05    0.1972771105E-05     604.2300224       -0.3264896819E-08
J1,K1,R1,R2,RAT=  11  11   -0.7280684464E-02     2.007313914        0.9927193155    
FOB,PFOB,DIAG,PSTEP=   -0.1407724589E-05   -0.1397549640E-05     588.3665271        0.2375265003E-08
J1,K1,R1,R2,RAT= 109 109     1.995024454        0.4923425901E-02    0.9950244545    
FOB,PFOB,DIAG,PSTEP=    0.7325970519E-04   -0.7362218803E-04     13.78574493        0.5340596901E-05
J1,K1,R1,R2,RAT= 110 110     90.32296792       -0.5352676451        0.4647323549    
FOB,PFOB,DIAG,PSTEP=    0.5565811393E-02   -0.5500232335E-02     12.25163874        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2740167385         78.35402826        0.7259832615    
FOB,PFOB,DIAG,PSTEP=   -0.3855941881E-02   -0.3883006237E-02     9.876898852        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8184053804         129.7241769        0.1815946196    
FOB,PFOB,DIAG,PSTEP=    0.5883141730E-02    0.5809375840E-02     9.013368092       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     381.3145184       -0.8181434738        0.1818565262    
FOB,PFOB,DIAG,PSTEP=   -0.2025886772E-01    0.2017211952E-01     7.207474338       -0.1471119324E-04
J1,K1,R1,R2,RAT= 114 114    0.9948011142        -740.9456197        0.5198885839E-02
FOB,PFOB,DIAG,PSTEP=   -0.6354945717       -0.6337904168         4.282652312       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001     -0.00002 
     0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00003      0.00003     -0.00002      0.00002     -0.00002      0.00002 
    -0.00001      0.00001      0.00001     -0.00002     -0.00001     -0.00005 
    -0.00003      0.00003     -0.00007      0.00001     -0.00006      0.00000 
    -0.00001      0.00002     -0.00002      0.00000      0.00002      0.00004 
     0.00004      0.00000     -0.00004      0.00000      0.00005      0.00003 
     0.00000      0.00006      0.00003      0.00005     -0.00002     -0.00001 
    -0.00004     -0.00004     -0.00012      0.00010      0.00002     -0.00010 
    -0.00001     -0.00008      0.00006      0.00001      0.00011     -0.00001 
     0.00007      0.00557     -0.00386      0.00588     -0.02026     -0.63549 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4274031275
 Log product of positive Hessian eigenvalues =          519.8568229165
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2826523122
 Unscaled step for mode    7=        0.0000000054
 Unscaled step for mode    8=        0.0000000067
 Unscaled step for mode    9=        0.0000000000
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000029
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000042
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000125
 Unscaled step for mode   17=       -0.0000000098
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000374
 Unscaled step for mode   20=       -0.0000000192
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000174
 Unscaled step for mode   23=       -0.0000000008
 Unscaled step for mode   24=        0.0000000038
 Unscaled step for mode   25=        0.0000000552
 Unscaled step for mode   26=        0.0000000947
 Unscaled step for mode   27=        0.0000000493
 Unscaled step for mode   28=       -0.0000000397
 Unscaled step for mode   29=       -0.0000000248
 Unscaled step for mode   30=        0.0000000786
 Unscaled step for mode   31=        0.0000000446
 Unscaled step for mode   32=        0.0000000202
 Unscaled step for mode   33=       -0.0000000407
 Unscaled step for mode   34=       -0.0000000356
 Unscaled step for mode   35=       -0.0000000889
 Unscaled step for mode   36=       -0.0000000623
 Unscaled step for mode   37=        0.0000000667
 Unscaled step for mode   38=        0.0000000057
 Unscaled step for mode   39=        0.0000000776
 Unscaled step for mode   40=        0.0000000348
 Unscaled step for mode   41=        0.0000001565
 Unscaled step for mode   42=        0.0000000482
 Unscaled step for mode   43=        0.0000000592
 Unscaled step for mode   44=        0.0000001087
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001097
 Unscaled step for mode   47=        0.0000001457
 Unscaled step for mode   48=       -0.0000000223
 Unscaled step for mode   49=        0.0000001207
 Unscaled step for mode   50=       -0.0000000492
 Unscaled step for mode   51=        0.0000000834
 Unscaled step for mode   52=        0.0000000166
 Unscaled step for mode   53=       -0.0000000720
 Unscaled step for mode   54=        0.0000000969
 Unscaled step for mode   55=       -0.0000001207
 Unscaled step for mode   56=        0.0000000369
 Unscaled step for mode   57=       -0.0000000610
 Unscaled step for mode   58=        0.0000001535
 Unscaled step for mode   59=       -0.0000000024
 Unscaled step for mode   60=       -0.0000001504
 Unscaled step for mode   61=       -0.0000001869
 Unscaled step for mode   62=       -0.0000002234
 Unscaled step for mode   63=        0.0000001756
 Unscaled step for mode   64=       -0.0000001876
 Unscaled step for mode   65=        0.0000001229
 Unscaled step for mode   66=       -0.0000001811
 Unscaled step for mode   67=        0.0000000535
 Unscaled step for mode   68=       -0.0000000767
 Unscaled step for mode   69=       -0.0000000458
 Unscaled step for mode   70=        0.0000002236
 Unscaled step for mode   71=        0.0000000490
 Unscaled step for mode   72=        0.0000005238
 Unscaled step for mode   73=        0.0000002588
 Unscaled step for mode   74=       -0.0000002917
 Unscaled step for mode   75=        0.0000007165
 Unscaled step for mode   76=       -0.0000001219
 Unscaled step for mode   77=        0.0000006480
 Unscaled step for mode   78=       -0.0000000128
 Unscaled step for mode   79=        0.0000001192
 Unscaled step for mode   80=       -0.0000002521
 Unscaled step for mode   81=        0.0000002622
 Unscaled step for mode   82=       -0.0000000056
 Unscaled step for mode   83=       -0.0000002006
 Unscaled step for mode   84=       -0.0000005236
 Unscaled step for mode   85=       -0.0000006045
 Unscaled step for mode   86=       -0.0000000123
 Unscaled step for mode   87=        0.0000006388
 Unscaled step for mode   88=       -0.0000000654
 Unscaled step for mode   89=       -0.0000008675
 Unscaled step for mode   90=       -0.0000005622
 Unscaled step for mode   91=       -0.0000000663
 Unscaled step for mode   92=       -0.0000010894
 Unscaled step for mode   93=       -0.0000005719
 Unscaled step for mode   94=       -0.0000008746
 Unscaled step for mode   95=        0.0000004907
 Unscaled step for mode   96=        0.0000001708
 Unscaled step for mode   97=        0.0000009616
 Unscaled step for mode   98=        0.0000010222
 Unscaled step for mode   99=        0.0000032239
 Unscaled step for mode  100=       -0.0000028343
 Unscaled step for mode  101=       -0.0000005252
 Unscaled step for mode  102=        0.0000034005
 Unscaled step for mode  103=        0.0000004869
 Unscaled step for mode  104=        0.0000029402
 Unscaled step for mode  105=       -0.0000024342
 Unscaled step for mode  106=       -0.0000006032
 Unscaled step for mode  107=       -0.0000056267
 Unscaled step for mode  108=        0.0000003550
 Unscaled step for mode  109=       -0.0000053142
 Unscaled step for mode  110=       -0.0004542911
 Unscaled step for mode  111=        0.0003904000
 Unscaled step for mode  112=       -0.0006527126
 Unscaled step for mode  113=        0.0028107915
 Unscaled step for mode  114=       -0.1452571491
 Largest modulus ratio of non-zero e/values=           171.1046378    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.198626E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.990636E-15    0.100714E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.785906E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.482253E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.754171E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.114774E-14    0.973880E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.392693E-05    0.732782E+03  0.535894E-08 0.100000E-04    0.993232E+00
   8   -0.453865E-05    0.673492E+03  0.673897E-08 0.100000E-04    0.991727E+00
   9   -0.307839E-07    0.626839E+03  0.491097E-10 0.100000E-04    0.959547E+00
  10    0.195786E-05    0.604230E+03 -0.324026E-08 0.100000E-04    0.992444E+00
  11   -0.140772E-05    0.588367E+03  0.239260E-08 0.100000E-04    0.992719E+00
  12   -0.166171E-05    0.571028E+03  0.291003E-08 0.100000E-04    0.972630E+00
  13   -0.349312E-05    0.566851E+03  0.616232E-08 0.100000E-04    0.991960E+00
  14   -0.203709E-05    0.482675E+03  0.422041E-08 0.100000E-04    0.977906E+00
  15    0.182611E-05    0.465276E+03 -0.392480E-08 0.100000E-04    0.987487E+00
  16    0.576123E-05    0.461370E+03 -0.124872E-07 0.100000E-04    0.997532E+00
  17    0.432805E-05    0.441378E+03 -0.980576E-08 0.100000E-04    0.999916E+00
  18    0.501102E-05    0.429750E+03 -0.116603E-07 0.100000E-04    0.995856E+00
  19   -0.157653E-04    0.421791E+03  0.373770E-07 0.100000E-04    0.997890E+00
  20    0.781479E-05    0.407886E+03 -0.191592E-07 0.100000E-04    0.996996E+00
  21    0.721224E-05    0.397442E+03 -0.181466E-07 0.100000E-04    0.998717E+00
  22   -0.677772E-05    0.388839E+03  0.174307E-07 0.100000E-04    0.996769E+00
  23    0.310788E-06    0.367831E+03 -0.844921E-09 0.100000E-04    0.942850E+00
  24   -0.137382E-05    0.361834E+03  0.379682E-08 0.100000E-04    0.986354E+00
  25   -0.193592E-04    0.350913E+03  0.551681E-07 0.100000E-04    0.996944E+00
  26   -0.318651E-04    0.336379E+03  0.947297E-07 0.100000E-04    0.998298E+00
  27   -0.160741E-04    0.325804E+03  0.493365E-07 0.100000E-04    0.997115E+00
  28    0.127635E-04    0.321465E+03 -0.397041E-07 0.100000E-04    0.993159E+00
  29    0.793769E-05    0.320196E+03 -0.247901E-07 0.100000E-04    0.985438E+00
  30   -0.246010E-04    0.312909E+03  0.786202E-07 0.100000E-04    0.998366E+00
  31   -0.135550E-04    0.304070E+03  0.445786E-07 0.100000E-04    0.992116E+00
  32   -0.582440E-05    0.288495E+03  0.201889E-07 0.100000E-04    0.998014E+00
  33    0.113457E-04    0.278836E+03 -0.406896E-07 0.100000E-04    0.999429E+00
  34    0.962607E-05    0.270736E+03 -0.355551E-07 0.100000E-04    0.995613E+00
  35    0.237080E-04    0.266791E+03 -0.888635E-07 0.100000E-04    0.998702E+00
  36    0.164640E-04    0.264150E+03 -0.623283E-07 0.100000E-04    0.995865E+00
  37   -0.173167E-04    0.259446E+03  0.667450E-07 0.100000E-04    0.996588E+00
  38   -0.145881E-05    0.253895E+03  0.574571E-08 0.100000E-04    0.977397E+00
  39   -0.187929E-04    0.242308E+03  0.775579E-07 0.100000E-04    0.998502E+00
  40   -0.829571E-05    0.238135E+03  0.348362E-07 0.100000E-04    0.978095E+00
  41   -0.368154E-04    0.235199E+03  0.156529E-06 0.100000E-04    0.996782E+00
  42   -0.110093E-04    0.228548E+03  0.481705E-07 0.100000E-04    0.995071E+00
  43   -0.130510E-04    0.220391E+03  0.592175E-07 0.100000E-04    0.992138E+00
  44   -0.232257E-04    0.213684E+03  0.108692E-06 0.100000E-04    0.994131E+00
  45    0.825021E-06    0.212238E+03 -0.388725E-08 0.100000E-04    0.935303E+00
  46    0.227501E-04    0.207423E+03 -0.109680E-06 0.100000E-04    0.994989E+00
  47   -0.296595E-04    0.203536E+03  0.145721E-06 0.100000E-04    0.999038E+00
  48    0.441504E-05    0.197578E+03 -0.223458E-07 0.100000E-04    0.991593E+00
  49   -0.235676E-04    0.195308E+03  0.120669E-06 0.100000E-04    0.995208E+00
  50    0.943169E-05    0.191540E+03 -0.492413E-07 0.100000E-04    0.992983E+00
  51   -0.153760E-04    0.184386E+03  0.833901E-07 0.100000E-04    0.994551E+00
  52   -0.290312E-05    0.175205E+03  0.165699E-07 0.100000E-04    0.984571E+00
  53    0.123616E-04    0.171786E+03 -0.719592E-07 0.100000E-04    0.996350E+00
  54   -0.162303E-04    0.167549E+03  0.968691E-07 0.100000E-04    0.992986E+00
  55    0.199356E-04    0.165107E+03 -0.120744E-06 0.100000E-04    0.999037E+00
  56   -0.587557E-05    0.159115E+03  0.369265E-07 0.100000E-04    0.991583E+00
  57    0.939370E-05    0.153908E+03 -0.610345E-07 0.100000E-04    0.992586E+00
  58   -0.232205E-04    0.151275E+03  0.153498E-06 0.100000E-04    0.997847E+00
  59    0.363461E-06    0.148741E+03 -0.244358E-08 0.100000E-04    0.938746E+00
  60    0.215405E-04    0.143244E+03 -0.150376E-06 0.100000E-04    0.995817E+00
  61    0.256145E-04    0.137084E+03 -0.186853E-06 0.100000E-04    0.996615E+00
  62    0.303375E-04    0.135782E+03 -0.223427E-06 0.100000E-04    0.997908E+00
  63   -0.229536E-04    0.130686E+03  0.175638E-06 0.100000E-04    0.997760E+00
  64    0.240155E-04    0.128004E+03 -0.187615E-06 0.100000E-04    0.993250E+00
  65   -0.154972E-04    0.126087E+03  0.122909E-06 0.100000E-04    0.986341E+00
  66    0.227450E-04    0.125586E+03 -0.181111E-06 0.100000E-04    0.992840E+00
  67   -0.640485E-05    0.119720E+03  0.534986E-07 0.100000E-04    0.989875E+00
  68    0.906005E-05    0.118059E+03 -0.767414E-07 0.100000E-04    0.998780E+00
  69    0.535406E-05    0.117003E+03 -0.457602E-07 0.100000E-04    0.998940E+00
  70   -0.248450E-04    0.111094E+03  0.223639E-06 0.100000E-04    0.994724E+00
  71   -0.528851E-05    0.107982E+03  0.489757E-07 0.100000E-04    0.996534E+00
  72   -0.548955E-04    0.104793E+03  0.523846E-06 0.100000E-04    0.997544E+00
  73   -0.266781E-04    0.103080E+03  0.258810E-06 0.100000E-04    0.996676E+00
  74    0.291142E-04    0.997942E+02 -0.291743E-06 0.100000E-04    0.997197E+00
  75   -0.687660E-04    0.959690E+02  0.716544E-06 0.100000E-04    0.994878E+00
  76    0.115705E-04    0.949128E+02 -0.121906E-06 0.100000E-04    0.961563E+00
  77   -0.601287E-04    0.927874E+02  0.648026E-06 0.100000E-04    0.998376E+00
  78    0.116047E-05    0.904550E+02 -0.128293E-07 0.100000E-04    0.787770E+00
  79   -0.107036E-04    0.897620E+02  0.119244E-06 0.100000E-04    0.985763E+00
  80    0.214190E-04    0.849560E+02 -0.252118E-06 0.100000E-04    0.996367E+00
  81   -0.212194E-04    0.809156E+02  0.262241E-06 0.100000E-04    0.998340E+00
  82    0.449732E-06    0.797837E+02 -0.563689E-08 0.100000E-04    0.244504E+00
  83    0.157070E-04    0.783069E+02 -0.200582E-06 0.100000E-04    0.992402E+00
  84    0.380985E-04    0.727688E+02 -0.523556E-06 0.100000E-04    0.997806E+00
  85    0.436200E-04    0.721607E+02 -0.604484E-06 0.100000E-04    0.998080E+00
  86    0.841970E-06    0.682876E+02 -0.123298E-07 0.100000E-04    0.594641E+00
  87   -0.426174E-04    0.667097E+02  0.638848E-06 0.100000E-04    0.997985E+00
  88    0.413309E-05    0.632413E+02 -0.653543E-07 0.100000E-04    0.991118E+00
  89    0.522648E-04    0.602488E+02 -0.867484E-06 0.100000E-04    0.999801E+00
  90    0.335737E-04    0.597214E+02 -0.562171E-06 0.100000E-04    0.993533E+00
  91    0.391458E-05    0.590628E+02 -0.662783E-07 0.100000E-04    0.969412E+00
  92    0.610393E-04    0.560308E+02 -0.108939E-05 0.100000E-04    0.997499E+00
  93    0.302088E-04    0.528236E+02 -0.571881E-06 0.100000E-04    0.991872E+00
  94    0.457207E-04    0.522782E+02 -0.874567E-06 0.100000E-04    0.999133E+00
  95   -0.245804E-04    0.500899E+02  0.490726E-06 0.100000E-04    0.989396E+00
  96   -0.813074E-05    0.475927E+02  0.170840E-06 0.100000E-04    0.996224E+00
  97   -0.412490E-04    0.428954E+02  0.961619E-06 0.100000E-04    0.999014E+00
  98   -0.412537E-04    0.403597E+02  0.102215E-05 0.100000E-04    0.996491E+00
  99   -0.120478E-03    0.373699E+02  0.322394E-05 0.100000E-04    0.999868E+00
 100    0.102395E-03    0.361273E+02 -0.283430E-05 0.100000E-04    0.998390E+00
 101    0.182544E-04    0.347545E+02 -0.525239E-06 0.100000E-04    0.996798E+00
 102   -0.980011E-04    0.288198E+02  0.340048E-05 0.100000E-04    0.999714E+00
 103   -0.139588E-04    0.286671E+02  0.486927E-06 0.100000E-04    0.967819E+00
 104   -0.811125E-04    0.275870E+02  0.294024E-05 0.100000E-04    0.999303E+00
 105    0.559055E-04    0.229665E+02 -0.243422E-05 0.100000E-04    0.994477E+00
 106    0.129404E-04    0.214543E+02 -0.603160E-06 0.100000E-04    0.965220E+00
 107    0.114492E-03    0.203481E+02 -0.562668E-05 0.100000E-04    0.997948E+00
 108   -0.597064E-05    0.168186E+02  0.355003E-06 0.100000E-04    0.960031E+00
 109    0.732597E-04    0.137857E+02 -0.531416E-05 0.100000E-04    0.995024E+00
 110    0.556581E-02    0.122516E+02 -0.100000E-04 0.100000E-04    0.464732E+00
 111   -0.385594E-02    0.987690E+01  0.100000E-04 0.100000E-04    0.725983E+00
 112    0.588314E-02    0.901337E+01 -0.109000E-04 0.109000E-04    0.181595E+00
 113   -0.202589E-01    0.720747E+01  0.160352E-04 0.160352E-04    0.181857E+00
 114   -0.635495E+00    0.428265E+01 -0.400000E-03 0.400000E-03    0.519889E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1452571491    

 Beginning of optimization cycle  320.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3590313187
 potential> RMS force:                                               0.0597153493   |gradient|=.6375854568    
 Eigenvalues of the Hessian matrix:
   732.84408    673.50126    626.85160    604.22300    588.35671    571.07145 
   566.85776    482.69982    465.25260    461.36256    441.37952    429.74262 
   421.79523    407.89448    397.43708    388.83788    367.83786    361.82534 
   350.90534    336.35890    325.81657    321.46380    320.20203    312.88418 
   304.05842    288.50361    278.83088    270.73850    266.80039    264.15808 
   259.45924    253.89709    242.30379    238.14621    235.18682    228.54499 
   220.37009    213.69166    212.24385    207.41633    203.53766    197.57178 
   195.30486    191.53893    184.37634    175.19376    171.79165    167.54897 
   165.09988    159.10515    153.91303    151.28062    148.73370    143.24644 
   137.08629    135.78560    130.68473    128.00871    126.08863    125.58467 
   119.72180    118.06027    117.00439    111.08800    107.97356    104.79032 
   103.08061     99.79267     95.96269     94.90625     92.80010     90.45836 
    89.75835     84.95891     80.91553     79.78617     78.30561     72.77020 
    72.16531     68.28722     66.69699     63.23827     60.23985     59.72199 
    59.06351     56.03145     52.82004     52.27897     50.08864     47.58856 
    42.89423     40.36219     37.37417     36.13074     34.74268     28.81933 
    28.66597     27.57888     22.96807     21.44817     20.35286     16.81824 
    13.78611     12.25130      9.87822      9.00590      7.20162      4.27794 
overlap for current and previous eigenvector    109 is         0.9999996299
overlap for current and previous eigenvector    110 is         0.9999994909
overlap for current and previous eigenvector    111 is        -0.9999968239
overlap for current and previous eigenvector    112 is        -0.9999909062
overlap for current and previous eigenvector    113 is        -0.9999939168
overlap for current and previous eigenvector    114 is         0.9999997141
J1,K1,R1,R2,RAT=   7   7   -0.7413234131E-02     2.007242924        0.9925867659    
FOB,PFOB,DIAG,PSTEP=   -0.3956048047E-05   -0.3926934284E-05     732.8440780        0.5358941730E-08
J1,K1,R1,R2,RAT=   8   8   -0.7574443534E-02     2.007547776        0.9924255565    
FOB,PFOB,DIAG,PSTEP=   -0.4573024958E-05   -0.4538646776E-05     673.5012586        0.6738973739E-08
J1,K1,R1,R2,RAT=   9   9    -1.171667482         3.171628353        0.1716674819    
FOB,PFOB,DIAG,PSTEP=   -0.6685312445E-07   -0.3078391114E-07     626.8516015        0.4910973082E-10
J1,K1,R1,R2,RAT=  10  10    0.2338316188E-02     1.997684933        0.9976616838    
FOB,PFOB,DIAG,PSTEP=    0.1953286171E-05    0.1957864223E-05     604.2229984       -0.3240263063E-08
J1,K1,R1,R2,RAT=  11  11    0.1118848707E-01     1.988844883        0.9888115129    
FOB,PFOB,DIAG,PSTEP=   -0.1391974543E-05   -0.1407724589E-05     588.3567105        0.2392598022E-08
J1,K1,R1,R2,RAT= 109 109   -0.7147294996E-02     2.007093996        0.9928527050    
FOB,PFOB,DIAG,PSTEP=    0.7378332787E-04    0.7325970519E-04     13.78611233       -0.5314163693E-05
J1,K1,R1,R2,RAT= 110 110   -0.5285964448         91.38933974        0.4714035552    
FOB,PFOB,DIAG,PSTEP=    0.5630571333E-02    0.5565811393E-02     12.25130060       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     77.80374375        0.2657971622        0.7342028378    
FOB,PFOB,DIAG,PSTEP=    0.3829685843E-02   -0.3855941881E-02     9.878223532        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     120.5924419       -0.7293466319        0.2706533681    
FOB,PFOB,DIAG,PSTEP=   -0.5954737572E-02    0.5883141730E-02     9.005904144       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     351.6032641       -0.7379224663        0.2620775337    
FOB,PFOB,DIAG,PSTEP=    0.2034408260E-01   -0.2025886772E-01     7.201621555        0.1603520063E-04
J1,K1,R1,R2,RAT= 114 114    0.9946007840        -743.7522080        0.5399215968E-02
FOB,PFOB,DIAG,PSTEP=   -0.6371965089       -0.6354945717         4.277940512       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000      0.00001      0.00002 
    -0.00002     -0.00001     -0.00001      0.00002     -0.00000      0.00002 
    -0.00003     -0.00003     -0.00002     -0.00002     -0.00002      0.00002 
    -0.00001      0.00001     -0.00001     -0.00002      0.00001     -0.00006 
     0.00003     -0.00003      0.00007      0.00001     -0.00006     -0.00000 
    -0.00001     -0.00002      0.00002     -0.00000      0.00002     -0.00004 
    -0.00004      0.00000     -0.00004      0.00000     -0.00005     -0.00003 
     0.00000     -0.00006      0.00003      0.00005     -0.00002     -0.00001 
     0.00004     -0.00004     -0.00012     -0.00010     -0.00002     -0.00010 
     0.00001      0.00008      0.00006     -0.00001     -0.00011      0.00001 
     0.00007      0.00563      0.00383     -0.00595      0.02034     -0.63720 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4272614667
 Log product of positive Hessian eigenvalues =          519.8531539078
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2779405118
 Unscaled step for mode    7=        0.0000000054
 Unscaled step for mode    8=        0.0000000068
 Unscaled step for mode    9=        0.0000000001
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000031
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000041
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000125
 Unscaled step for mode   17=       -0.0000000098
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000374
 Unscaled step for mode   20=       -0.0000000190
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000176
 Unscaled step for mode   23=       -0.0000000010
 Unscaled step for mode   24=        0.0000000040
 Unscaled step for mode   25=        0.0000000552
 Unscaled step for mode   26=        0.0000000949
 Unscaled step for mode   27=        0.0000000494
 Unscaled step for mode   28=       -0.0000000399
 Unscaled step for mode   29=       -0.0000000252
 Unscaled step for mode   30=        0.0000000788
 Unscaled step for mode   31=        0.0000000449
 Unscaled step for mode   32=        0.0000000204
 Unscaled step for mode   33=       -0.0000000408
 Unscaled step for mode   34=       -0.0000000358
 Unscaled step for mode   35=       -0.0000000891
 Unscaled step for mode   36=       -0.0000000628
 Unscaled step for mode   37=        0.0000000669
 Unscaled step for mode   38=        0.0000000056
 Unscaled step for mode   39=        0.0000000777
 Unscaled step for mode   40=        0.0000000358
 Unscaled step for mode   41=        0.0000001573
 Unscaled step for mode   42=        0.0000000487
 Unscaled step for mode   43=        0.0000000597
 Unscaled step for mode   44=        0.0000001096
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001103
 Unscaled step for mode   47=        0.0000001460
 Unscaled step for mode   48=       -0.0000000224
 Unscaled step for mode   49=        0.0000001212
 Unscaled step for mode   50=       -0.0000000488
 Unscaled step for mode   51=        0.0000000836
 Unscaled step for mode   52=       -0.0000000168
 Unscaled step for mode   53=       -0.0000000720
 Unscaled step for mode   54=       -0.0000000973
 Unscaled step for mode   55=        0.0000001210
 Unscaled step for mode   56=        0.0000000373
 Unscaled step for mode   57=        0.0000000611
 Unscaled step for mode   58=       -0.0000001539
 Unscaled step for mode   59=        0.0000000030
 Unscaled step for mode   60=       -0.0000001505
 Unscaled step for mode   61=        0.0000001873
 Unscaled step for mode   62=        0.0000002231
 Unscaled step for mode   63=        0.0000001751
 Unscaled step for mode   64=        0.0000001887
 Unscaled step for mode   65=        0.0000001240
 Unscaled step for mode   66=       -0.0000001801
 Unscaled step for mode   67=        0.0000000546
 Unscaled step for mode   68=       -0.0000000766
 Unscaled step for mode   69=        0.0000000458
 Unscaled step for mode   70=        0.0000002250
 Unscaled step for mode   71=       -0.0000000495
 Unscaled step for mode   72=        0.0000005260
 Unscaled step for mode   73=       -0.0000002593
 Unscaled step for mode   74=        0.0000002912
 Unscaled step for mode   75=       -0.0000007198
 Unscaled step for mode   76=       -0.0000001165
 Unscaled step for mode   77=        0.0000006459
 Unscaled step for mode   78=        0.0000000134
 Unscaled step for mode   79=        0.0000001185
 Unscaled step for mode   80=        0.0000002521
 Unscaled step for mode   81=       -0.0000002633
 Unscaled step for mode   82=        0.0000000081
 Unscaled step for mode   83=       -0.0000002003
 Unscaled step for mode   84=        0.0000005249
 Unscaled step for mode   85=        0.0000006028
 Unscaled step for mode   86=       -0.0000000151
 Unscaled step for mode   87=        0.0000006377
 Unscaled step for mode   88=       -0.0000000682
 Unscaled step for mode   89=        0.0000008645
 Unscaled step for mode   90=        0.0000005653
 Unscaled step for mode   91=       -0.0000000677
 Unscaled step for mode   92=        0.0000010898
 Unscaled step for mode   93=       -0.0000005677
 Unscaled step for mode   94=       -0.0000008774
 Unscaled step for mode   95=        0.0000004883
 Unscaled step for mode   96=        0.0000001711
 Unscaled step for mode   97=       -0.0000009575
 Unscaled step for mode   98=        0.0000010243
 Unscaled step for mode   99=        0.0000032208
 Unscaled step for mode  100=        0.0000028213
 Unscaled step for mode  101=        0.0000005228
 Unscaled step for mode  102=        0.0000034008
 Unscaled step for mode  103=       -0.0000005054
 Unscaled step for mode  104=       -0.0000029632
 Unscaled step for mode  105=       -0.0000024267
 Unscaled step for mode  106=        0.0000005851
 Unscaled step for mode  107=        0.0000055827
 Unscaled step for mode  108=       -0.0000003772
 Unscaled step for mode  109=       -0.0000053520
 Unscaled step for mode  110=       -0.0004595896
 Unscaled step for mode  111=       -0.0003876897
 Unscaled step for mode  112=        0.0006612035
 Unscaled step for mode  113=       -0.0028249083
 Unscaled step for mode  114=       -0.1457837554
 Largest modulus ratio of non-zero e/values=           171.3076832    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.873000E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.713297E-15    0.100714E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.518384E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.294280E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.810983E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.510009E-15    0.973882E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.395605E-05    0.732844E+03  0.539821E-08 0.100000E-04    0.992587E+00
   8   -0.457302E-05    0.673501E+03  0.678993E-08 0.100000E-04    0.992426E+00
   9   -0.668531E-07    0.626852E+03  0.106649E-09 0.109000E-04    0.171667E+00
  10    0.195329E-05    0.604223E+03 -0.323272E-08 0.100000E-04    0.997662E+00
  11   -0.139197E-05    0.588357E+03  0.236587E-08 0.100000E-04    0.988812E+00
  12   -0.174651E-05    0.571071E+03  0.305831E-08 0.100000E-04    0.948972E+00
  13   -0.348892E-05    0.566858E+03  0.615484E-08 0.100000E-04    0.998776E+00
  14   -0.197831E-05    0.482700E+03  0.409843E-08 0.100000E-04    0.971045E+00
  15    0.181312E-05    0.465253E+03 -0.389706E-08 0.100000E-04    0.992882E+00
  16    0.577535E-05    0.461363E+03 -0.125180E-07 0.100000E-04    0.997548E+00
  17    0.430875E-05    0.441380E+03 -0.976200E-08 0.100000E-04    0.995535E+00
  18    0.497800E-05    0.429743E+03 -0.115837E-07 0.100000E-04    0.993409E+00
  19   -0.157893E-04    0.421795E+03  0.374335E-07 0.100000E-04    0.998480E+00
  20    0.775922E-05    0.407894E+03 -0.190226E-07 0.100000E-04    0.992851E+00
  21    0.718118E-05    0.397437E+03 -0.180687E-07 0.100000E-04    0.995694E+00
  22   -0.684542E-05    0.388838E+03  0.176048E-07 0.100000E-04    0.990011E+00
  23    0.365051E-06    0.367838E+03 -0.992425E-09 0.100000E-04    0.825403E+00
  24   -0.143316E-05    0.361825E+03  0.396090E-08 0.100000E-04    0.956809E+00
  25   -0.193867E-04    0.350905E+03  0.552476E-07 0.100000E-04    0.998580E+00
  26   -0.319231E-04    0.336359E+03  0.949079E-07 0.100000E-04    0.998180E+00
  27   -0.160933E-04    0.325817E+03  0.493938E-07 0.100000E-04    0.998802E+00
  28    0.128363E-04    0.321464E+03 -0.399306E-07 0.100000E-04    0.994299E+00
  29    0.808081E-05    0.320202E+03 -0.252366E-07 0.100000E-04    0.981969E+00
  30   -0.246656E-04    0.312884E+03  0.788330E-07 0.100000E-04    0.997373E+00
  31   -0.136538E-04    0.304058E+03  0.449053E-07 0.100000E-04    0.992708E+00
  32   -0.589463E-05    0.288504E+03  0.204317E-07 0.100000E-04    0.987942E+00
  33    0.113807E-04    0.278831E+03 -0.408156E-07 0.100000E-04    0.996920E+00
  34    0.968945E-05    0.270738E+03 -0.357890E-07 0.100000E-04    0.993416E+00
  35    0.237599E-04    0.266800E+03 -0.890551E-07 0.100000E-04    0.997810E+00
  36    0.165952E-04    0.264158E+03 -0.628230E-07 0.100000E-04    0.992034E+00
  37   -0.173633E-04    0.259459E+03  0.669213E-07 0.100000E-04    0.997306E+00
  38   -0.140919E-05    0.253897E+03  0.555022E-08 0.100000E-04    0.965970E+00
  39   -0.188165E-04    0.242304E+03  0.776566E-07 0.100000E-04    0.998746E+00
  40   -0.853497E-05    0.238146E+03  0.358392E-07 0.100000E-04    0.971160E+00
  41   -0.369956E-04    0.235187E+03  0.157303E-06 0.100000E-04    0.995104E+00
  42   -0.111379E-04    0.228545E+03  0.487339E-07 0.100000E-04    0.988319E+00
  43   -0.131537E-04    0.220370E+03  0.596890E-07 0.100000E-04    0.992132E+00
  44   -0.234279E-04    0.213692E+03  0.109634E-06 0.100000E-04    0.991293E+00
  45    0.798732E-06    0.212244E+03 -0.376328E-08 0.100000E-04    0.968080E+00
  46    0.228802E-04    0.207416E+03 -0.110310E-06 0.100000E-04    0.994281E+00
  47   -0.297263E-04    0.203538E+03  0.146048E-06 0.100000E-04    0.997749E+00
  48    0.442393E-05    0.197572E+03 -0.223915E-07 0.100000E-04    0.997986E+00
  49   -0.236761E-04    0.195305E+03  0.121226E-06 0.100000E-04    0.995397E+00
  50    0.934755E-05    0.191539E+03 -0.488023E-07 0.100000E-04    0.991079E+00
  51   -0.154173E-04    0.184376E+03  0.836189E-07 0.100000E-04    0.997311E+00
  52    0.293642E-05    0.175194E+03 -0.167610E-07 0.100000E-04    0.988532E+00
  53    0.123652E-04    0.171792E+03 -0.719779E-07 0.100000E-04    0.999707E+00
  54    0.163059E-04    0.167549E+03 -0.973203E-07 0.100000E-04    0.995341E+00
  55   -0.199799E-04    0.165100E+03  0.121017E-06 0.100000E-04    0.997775E+00
  56   -0.593066E-05    0.159105E+03  0.372751E-07 0.100000E-04    0.990623E+00
  57   -0.940187E-05    0.153913E+03  0.610856E-07 0.100000E-04    0.999130E+00
  58    0.232817E-04    0.151281E+03 -0.153898E-06 0.100000E-04    0.997362E+00
  59   -0.445674E-06    0.148734E+03  0.299645E-08 0.100000E-04    0.773796E+00
  60    0.215650E-04    0.143246E+03 -0.150545E-06 0.100000E-04    0.998861E+00
  61   -0.256722E-04    0.137086E+03  0.187270E-06 0.100000E-04    0.997749E+00
  62   -0.302922E-04    0.135786E+03  0.223088E-06 0.100000E-04    0.998459E+00
  63   -0.228885E-04    0.130685E+03  0.175143E-06 0.100000E-04    0.997165E+00
  64   -0.241498E-04    0.128009E+03  0.188657E-06 0.100000E-04    0.994408E+00
  65   -0.156413E-04    0.126089E+03  0.124050E-06 0.100000E-04    0.990706E+00
  66    0.226208E-04    0.125585E+03 -0.180124E-06 0.100000E-04    0.994543E+00
  67   -0.653557E-05    0.119722E+03  0.545896E-07 0.100000E-04    0.979591E+00
  68    0.904609E-05    0.118060E+03 -0.766227E-07 0.100000E-04    0.998444E+00
  69   -0.535977E-05    0.117004E+03  0.458083E-07 0.100000E-04    0.998934E+00
  70   -0.249915E-04    0.111088E+03  0.224971E-06 0.100000E-04    0.994102E+00
  71    0.534377E-05    0.107974E+03 -0.494915E-07 0.100000E-04    0.989550E+00
  72   -0.551170E-04    0.104790E+03  0.525974E-06 0.100000E-04    0.995966E+00
  73    0.267255E-04    0.103081E+03 -0.259268E-06 0.100000E-04    0.998224E+00
  74   -0.290566E-04    0.997927E+02  0.291170E-06 0.100000E-04    0.998022E+00
  75    0.690776E-04    0.959627E+02 -0.719838E-06 0.100000E-04    0.995468E+00
  76    0.110558E-04    0.949063E+02 -0.116491E-06 0.100000E-04    0.955510E+00
  77   -0.599422E-04    0.928001E+02  0.645928E-06 0.100000E-04    0.996626E+00
  78   -0.121150E-05    0.904584E+02  0.133929E-07 0.100000E-04    0.956028E+00
  79   -0.106330E-04    0.897583E+02  0.118462E-06 0.100000E-04    0.993401E+00
  80   -0.214168E-04    0.849589E+02  0.252084E-06 0.100000E-04    0.999831E+00
  81    0.213016E-04    0.809155E+02 -0.263258E-06 0.100000E-04    0.996122E+00
  82   -0.642341E-06    0.797862E+02  0.805078E-08 0.100000E-04    0.571739E+00
  83    0.156876E-04    0.783056E+02 -0.200339E-06 0.100000E-04    0.998770E+00
  84   -0.381998E-04    0.727702E+02  0.524937E-06 0.100000E-04    0.997342E+00
  85   -0.434999E-04    0.721653E+02  0.602781E-06 0.100000E-04    0.997118E+00
  86    0.103094E-05    0.682872E+02 -0.150971E-07 0.100000E-04    0.775560E+00
  87   -0.425333E-04    0.666970E+02  0.637709E-06 0.100000E-04    0.998026E+00
  88    0.431080E-05    0.632383E+02 -0.681676E-07 0.100000E-04    0.957001E+00
  89   -0.520781E-04    0.602399E+02  0.864512E-06 0.100000E-04    0.996426E+00
  90   -0.337618E-04    0.597220E+02  0.565316E-06 0.100000E-04    0.994397E+00
  91    0.399829E-05    0.590635E+02 -0.676947E-07 0.100000E-04    0.978618E+00
  92   -0.610636E-04    0.560315E+02  0.108981E-05 0.100000E-04    0.999602E+00
  93    0.299846E-04    0.528200E+02 -0.567674E-06 0.100000E-04    0.992576E+00
  94    0.458696E-04    0.522790E+02 -0.877400E-06 0.100000E-04    0.996744E+00
  95   -0.244604E-04    0.500886E+02  0.488343E-06 0.100000E-04    0.995119E+00
  96   -0.814136E-05    0.475886E+02  0.171078E-06 0.100000E-04    0.998694E+00
  97    0.410708E-04    0.428942E+02 -0.957490E-06 0.100000E-04    0.995678E+00
  98   -0.413411E-04    0.403622E+02  0.102425E-05 0.100000E-04    0.997882E+00
  99   -0.120376E-03    0.373742E+02  0.322085E-05 0.100000E-04    0.998924E+00
 100   -0.101937E-03    0.361307E+02  0.282134E-05 0.100000E-04    0.995333E+00
 101   -0.181644E-04    0.347427E+02  0.522827E-06 0.100000E-04    0.995068E+00
 102   -0.980091E-04    0.288193E+02  0.340081E-05 0.100000E-04    0.999918E+00
 103    0.144869E-04    0.286660E+02 -0.505371E-06 0.100000E-04    0.962164E+00
 104    0.817228E-04    0.275789E+02 -0.296324E-05 0.100000E-04    0.992473E+00
 105    0.557372E-04    0.229681E+02 -0.242672E-05 0.100000E-04    0.996853E+00
 106   -0.125494E-04    0.214482E+02  0.585102E-06 0.100000E-04    0.969777E+00
 107   -0.113624E-03    0.203529E+02  0.558271E-05 0.100000E-04    0.991953E+00
 108    0.634396E-05    0.168182E+02 -0.377207E-06 0.100000E-04    0.937474E+00
 109    0.737833E-04    0.137861E+02 -0.535200E-05 0.100000E-04    0.992853E+00
 110    0.563057E-02    0.122513E+02 -0.100000E-04 0.100000E-04    0.471404E+00
 111    0.382969E-02    0.987822E+01 -0.100000E-04 0.100000E-04    0.734203E+00
 112   -0.595474E-02    0.900590E+01  0.100000E-04 0.100000E-04    0.270653E+00
 113    0.203441E-01    0.720162E+01 -0.144461E-04 0.144461E-04    0.262078E+00
 114   -0.637197E+00    0.427794E+01 -0.400000E-03 0.400000E-03    0.539922E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1457837554    

 Beginning of optimization cycle  321.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3587765452
 potential> RMS force:                                               0.0598748712   |gradient|=.6392886851    
 Eigenvalues of the Hessian matrix:
   732.90648    673.51033    626.86374    604.21594    588.34694    571.11439 
   566.86437    482.72499    465.22934    461.35562    441.38079    429.73490 
   421.79963    407.90258    397.43205    388.83711    367.84486    361.81652 
   350.89804    336.33861    325.82866    321.46213    320.20778    312.85926 
   304.04704    288.51238    278.82565    270.74069    266.80925    264.16569 
   259.47292    253.89884    242.29947    238.15750    235.17463    228.54143 
   220.34939    213.69944    212.24974    207.41008    203.53933    197.56545 
   195.30166    191.53764    184.36621    175.18247    171.79745    167.54903 
   165.09322    159.09496    153.91800    151.28590    148.72608    143.24881 
   137.08857    135.78883    130.68309    128.01309    126.09051    125.58352 
   119.72364    118.06119    117.00604    111.08198    107.96482    104.78732 
   103.08129     99.79122     95.95646     94.89956     92.81274     90.46177 
    89.75460     84.96177     80.91539     79.78856     78.30436     72.77165 
    72.17000     68.28685     66.68435     63.23521     60.23103     59.72251 
    59.06415     56.03208     52.81651     52.27980     50.08736     47.58441 
    42.89304     40.36469     37.37849     36.13419     34.73092     28.81886 
    28.66478     27.57070     22.96965     21.44204     20.35760     16.81789 
    13.78648     12.25097      9.87956      8.99837      7.19572      4.27322 
overlap for current and previous eigenvector    109 is         0.9999996286
overlap for current and previous eigenvector    110 is        -0.9999994926
overlap for current and previous eigenvector    111 is        -0.9999969359
overlap for current and previous eigenvector    112 is         0.9999909452
overlap for current and previous eigenvector    113 is        -0.9999938489
overlap for current and previous eigenvector    114 is         0.9999997210
J1,K1,R1,R2,RAT=   7   7   -0.7372683554E-02     2.007202399        0.9926273164    
FOB,PFOB,DIAG,PSTEP=   -0.3985217221E-05   -0.3956048047E-05     732.9064792        0.5398212479E-08
J1,K1,R1,R2,RAT=   8   8   -0.1717046166E-03     2.000144759        0.9998282954    
FOB,PFOB,DIAG,PSTEP=   -0.4573810178E-05   -0.4573024958E-05     673.5103327        0.6789927858E-08
J1,K1,R1,R2,RAT=   9   9    0.2737366104         1.726224660        0.7262246601    
FOB,PFOB,DIAG,PSTEP=   -0.4855262238E-07   -0.6685312445E-07     626.8637406        0.1066490447E-09
J1,K1,R1,R2,RAT=  10  10   -0.1053286900E-01     2.010556239        0.9894671310    
FOB,PFOB,DIAG,PSTEP=    0.1973859638E-05    0.1953286171E-05     604.2159382       -0.3232723971E-08
J1,K1,R1,R2,RAT=  11  11   -0.1996576425E-01     2.019998968        0.9800342358    
FOB,PFOB,DIAG,PSTEP=   -0.1419765918E-05   -0.1391974543E-05     588.3469427        0.2365868390E-08
J1,K1,R1,R2,RAT= 109 109    0.1030968122E-01     1.989637324        0.9896373242    
FOB,PFOB,DIAG,PSTEP=    0.7302262513E-04    0.7378332787E-04     13.78647763       -0.5352003968E-05
J1,K1,R1,R2,RAT= 110 110     92.46075620       -0.5403120707        0.4596879293    
FOB,PFOB,DIAG,PSTEP=   -0.5696764783E-02    0.5630571333E-02     12.25096634       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     77.25014314        0.2773168832        0.7226831168    
FOB,PFOB,DIAG,PSTEP=   -0.3802288156E-02    0.3829685843E-02     9.879559685       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8153821664         133.1668992        0.1846178336    
FOB,PFOB,DIAG,PSTEP=   -0.6028108651E-02   -0.5954737572E-02     8.998366931        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     392.2808842       -0.8616064487        0.1383935513    
FOB,PFOB,DIAG,PSTEP=   -0.2043364688E-01    0.2034408260E-01     7.195723642       -0.1444612669E-04
J1,K1,R1,R2,RAT= 114 114    0.9947389687        -746.5643105        0.5261031340E-02
FOB,PFOB,DIAG,PSTEP=   -0.6388968041       -0.6371965089         4.273219651       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001      0.00002     -0.00000     -0.00002 
    -0.00003      0.00003     -0.00002      0.00002     -0.00002     -0.00002 
    -0.00001     -0.00001      0.00001      0.00002      0.00001     -0.00006 
     0.00003      0.00003     -0.00007     -0.00001     -0.00006     -0.00000 
    -0.00001      0.00002      0.00002      0.00000      0.00002     -0.00004 
     0.00004     -0.00000      0.00004      0.00000      0.00005     -0.00003 
    -0.00000      0.00006      0.00003      0.00005     -0.00002      0.00001 
    -0.00004     -0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00001     -0.00008     -0.00006     -0.00001     -0.00011      0.00001 
     0.00007     -0.00570     -0.00380     -0.00603     -0.02043     -0.63890 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4271194049
 Log product of positive Hessian eigenvalues =          519.8494642723
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2732196514
 Unscaled step for mode    7=        0.0000000054
 Unscaled step for mode    8=        0.0000000068
 Unscaled step for mode    9=        0.0000000001
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000030
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000041
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000126
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000376
 Unscaled step for mode   20=       -0.0000000191
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000176
 Unscaled step for mode   23=       -0.0000000009
 Unscaled step for mode   24=        0.0000000040
 Unscaled step for mode   25=        0.0000000555
 Unscaled step for mode   26=        0.0000000951
 Unscaled step for mode   27=        0.0000000495
 Unscaled step for mode   28=       -0.0000000403
 Unscaled step for mode   29=       -0.0000000257
 Unscaled step for mode   30=        0.0000000787
 Unscaled step for mode   31=        0.0000000451
 Unscaled step for mode   32=        0.0000000204
 Unscaled step for mode   33=       -0.0000000410
 Unscaled step for mode   34=       -0.0000000360
 Unscaled step for mode   35=       -0.0000000889
 Unscaled step for mode   36=       -0.0000000629
 Unscaled step for mode   37=        0.0000000672
 Unscaled step for mode   38=        0.0000000054
 Unscaled step for mode   39=        0.0000000779
 Unscaled step for mode   40=        0.0000000365
 Unscaled step for mode   41=        0.0000001576
 Unscaled step for mode   42=        0.0000000487
 Unscaled step for mode   43=        0.0000000599
 Unscaled step for mode   44=        0.0000001098
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001107
 Unscaled step for mode   47=        0.0000001458
 Unscaled step for mode   48=       -0.0000000227
 Unscaled step for mode   49=        0.0000001214
 Unscaled step for mode   50=       -0.0000000494
 Unscaled step for mode   51=        0.0000000839
 Unscaled step for mode   52=        0.0000000169
 Unscaled step for mode   53=       -0.0000000724
 Unscaled step for mode   54=       -0.0000000978
 Unscaled step for mode   55=       -0.0000001210
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=        0.0000000618
 Unscaled step for mode   58=       -0.0000001542
 Unscaled step for mode   59=        0.0000000033
 Unscaled step for mode   60=        0.0000001511
 Unscaled step for mode   61=        0.0000001889
 Unscaled step for mode   62=       -0.0000002229
 Unscaled step for mode   63=        0.0000001758
 Unscaled step for mode   64=       -0.0000001899
 Unscaled step for mode   65=        0.0000001265
 Unscaled step for mode   66=        0.0000001792
 Unscaled step for mode   67=        0.0000000542
 Unscaled step for mode   68=        0.0000000770
 Unscaled step for mode   69=       -0.0000000463
 Unscaled step for mode   70=       -0.0000002250
 Unscaled step for mode   71=       -0.0000000494
 Unscaled step for mode   72=        0.0000005281
 Unscaled step for mode   73=       -0.0000002603
 Unscaled step for mode   74=       -0.0000002914
 Unscaled step for mode   75=        0.0000007236
 Unscaled step for mode   76=        0.0000001112
 Unscaled step for mode   77=        0.0000006456
 Unscaled step for mode   78=        0.0000000152
 Unscaled step for mode   79=        0.0000001176
 Unscaled step for mode   80=       -0.0000002529
 Unscaled step for mode   81=       -0.0000002636
 Unscaled step for mode   82=       -0.0000000090
 Unscaled step for mode   83=       -0.0000002010
 Unscaled step for mode   84=        0.0000005282
 Unscaled step for mode   85=       -0.0000006053
 Unscaled step for mode   86=        0.0000000188
 Unscaled step for mode   87=       -0.0000006406
 Unscaled step for mode   88=       -0.0000000674
 Unscaled step for mode   89=       -0.0000008658
 Unscaled step for mode   90=        0.0000005743
 Unscaled step for mode   91=        0.0000000711
 Unscaled step for mode   92=       -0.0000010911
 Unscaled step for mode   93=       -0.0000005659
 Unscaled step for mode   94=       -0.0000008802
 Unscaled step for mode   95=        0.0000004867
 Unscaled step for mode   96=       -0.0000001673
 Unscaled step for mode   97=        0.0000009663
 Unscaled step for mode   98=        0.0000010313
 Unscaled step for mode   99=        0.0000032356
 Unscaled step for mode  100=       -0.0000028216
 Unscaled step for mode  101=       -0.0000005373
 Unscaled step for mode  102=       -0.0000034108
 Unscaled step for mode  103=        0.0000005155
 Unscaled step for mode  104=        0.0000029712
 Unscaled step for mode  105=        0.0000024477
 Unscaled step for mode  106=        0.0000006254
 Unscaled step for mode  107=        0.0000056022
 Unscaled step for mode  108=       -0.0000003061
 Unscaled step for mode  109=       -0.0000052967
 Unscaled step for mode  110=        0.0004650052
 Unscaled step for mode  111=        0.0003848641
 Unscaled step for mode  112=        0.0006699111
 Unscaled step for mode  113=        0.0028396702
 Unscaled step for mode  114=       -0.1463112148
 Largest modulus ratio of non-zero e/values=           171.5115391    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.470977E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.601732E-15    0.100714E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.804315E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.209507E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.769350E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.140971E-14    0.973884E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.398522E-05    0.732906E+03  0.543755E-08 0.100000E-04    0.992627E+00
   8   -0.457381E-05    0.673510E+03  0.679100E-08 0.100000E-04    0.999828E+00
   9   -0.485526E-07    0.626864E+03  0.774532E-10 0.100000E-04    0.726225E+00
  10    0.197386E-05    0.604216E+03 -0.326681E-08 0.100000E-04    0.989467E+00
  11   -0.141977E-05    0.588347E+03  0.241314E-08 0.100000E-04    0.980034E+00
  12   -0.173037E-05    0.571114E+03  0.302980E-08 0.100000E-04    0.990605E+00
  13   -0.350061E-05    0.566864E+03  0.617539E-08 0.100000E-04    0.996649E+00
  14   -0.196417E-05    0.482725E+03  0.406893E-08 0.100000E-04    0.992749E+00
  15    0.182888E-05    0.465229E+03 -0.393113E-08 0.100000E-04    0.991306E+00
  16    0.580830E-05    0.461356E+03 -0.125896E-07 0.100000E-04    0.994294E+00
  17    0.435672E-05    0.441381E+03 -0.987066E-08 0.100000E-04    0.988867E+00
  18    0.501921E-05    0.429735E+03 -0.116798E-07 0.100000E-04    0.991720E+00
  19   -0.158517E-04    0.421800E+03  0.375810E-07 0.100000E-04    0.996047E+00
  20    0.778196E-05    0.407903E+03 -0.190780E-07 0.100000E-04    0.997070E+00
  21    0.720441E-05    0.397432E+03 -0.181274E-07 0.100000E-04    0.996765E+00
  22   -0.685798E-05    0.388837E+03  0.176372E-07 0.100000E-04    0.998165E+00
  23    0.325016E-06    0.367845E+03 -0.883569E-09 0.100000E-04    0.890294E+00
  24   -0.143211E-05    0.361817E+03  0.395812E-08 0.100000E-04    0.999273E+00
  25   -0.194619E-04    0.350898E+03  0.554632E-07 0.100000E-04    0.996118E+00
  26   -0.319989E-04    0.336339E+03  0.951389E-07 0.100000E-04    0.997626E+00
  27   -0.161387E-04    0.325829E+03  0.495311E-07 0.100000E-04    0.997183E+00
  28    0.129405E-04    0.321462E+03 -0.402552E-07 0.100000E-04    0.991877E+00
  29    0.822068E-05    0.320208E+03 -0.256730E-07 0.100000E-04    0.982692E+00
  30   -0.246367E-04    0.312859E+03  0.787468E-07 0.100000E-04    0.998826E+00
  31   -0.137116E-04    0.304047E+03  0.450969E-07 0.100000E-04    0.995771E+00
  32   -0.589134E-05    0.288512E+03  0.204197E-07 0.100000E-04    0.999381E+00
  33    0.114254E-04    0.278826E+03 -0.409768E-07 0.100000E-04    0.996070E+00
  34    0.975317E-05    0.270741E+03 -0.360240E-07 0.100000E-04    0.993424E+00
  35    0.237305E-04    0.266809E+03 -0.889417E-07 0.100000E-04    0.998694E+00
  36    0.166147E-04    0.264166E+03 -0.628949E-07 0.100000E-04    0.998826E+00
  37   -0.174346E-04    0.259473E+03  0.671925E-07 0.100000E-04    0.995895E+00
  38   -0.137824E-05    0.253899E+03  0.542831E-08 0.100000E-04    0.978027E+00
  39   -0.188686E-04    0.242299E+03  0.778732E-07 0.100000E-04    0.997228E+00
  40   -0.869207E-05    0.238158E+03  0.364972E-07 0.100000E-04    0.981594E+00
  41   -0.370536E-04    0.235175E+03  0.157558E-06 0.100000E-04    0.998431E+00
  42   -0.111275E-04    0.228541E+03  0.486894E-07 0.100000E-04    0.999072E+00
  43   -0.132028E-04    0.220349E+03  0.599174E-07 0.100000E-04    0.996267E+00
  44   -0.234627E-04    0.213699E+03  0.109793E-06 0.100000E-04    0.998517E+00
  45    0.823635E-06    0.212250E+03 -0.388050E-08 0.100000E-04    0.968822E+00
  46    0.229606E-04    0.207410E+03 -0.110701E-06 0.100000E-04    0.996486E+00
  47   -0.296848E-04    0.203539E+03  0.145843E-06 0.100000E-04    0.998588E+00
  48    0.448315E-05    0.197565E+03 -0.226920E-07 0.100000E-04    0.986613E+00
  49   -0.237133E-04    0.195302E+03  0.121419E-06 0.100000E-04    0.998428E+00
  50    0.945910E-05    0.191538E+03 -0.493851E-07 0.100000E-04    0.988066E+00
  51   -0.154640E-04    0.184366E+03  0.838764E-07 0.100000E-04    0.996976E+00
  52   -0.296271E-05    0.175182E+03  0.169121E-07 0.100000E-04    0.991045E+00
  53    0.124406E-04    0.171797E+03 -0.724144E-07 0.100000E-04    0.993901E+00
  54    0.163911E-04    0.167549E+03 -0.978286E-07 0.100000E-04    0.994777E+00
  55    0.199804E-04    0.165093E+03 -0.121025E-06 0.100000E-04    0.999973E+00
  56    0.587191E-05    0.159095E+03 -0.369082E-07 0.100000E-04    0.990094E+00
  57   -0.951713E-05    0.153918E+03  0.618325E-07 0.100000E-04    0.987740E+00
  58    0.233291E-04    0.151286E+03 -0.154205E-06 0.100000E-04    0.997967E+00
  59   -0.483829E-06    0.148726E+03  0.325315E-08 0.100000E-04    0.914383E+00
  60   -0.216478E-04    0.143249E+03  0.151120E-06 0.100000E-04    0.996164E+00
  61   -0.258955E-04    0.137089E+03  0.188896E-06 0.100000E-04    0.991300E+00
  62    0.302733E-04    0.135789E+03 -0.222944E-06 0.100000E-04    0.999328E+00
  63   -0.229794E-04    0.130683E+03  0.175841E-06 0.100000E-04    0.996027E+00
  64    0.243110E-04    0.128013E+03 -0.189910E-06 0.100000E-04    0.993325E+00
  65   -0.159562E-04    0.126091E+03  0.126546E-06 0.100000E-04    0.979864E+00
  66   -0.225102E-04    0.125584E+03  0.179245E-06 0.100000E-04    0.995111E+00
  67   -0.649389E-05    0.119724E+03  0.542407E-07 0.100000E-04    0.993592E+00
  68   -0.909234E-05    0.118061E+03  0.770138E-07 0.100000E-04    0.994887E+00
  69    0.542153E-05    0.117006E+03 -0.463355E-07 0.100000E-04    0.988478E+00
  70    0.249885E-04    0.111082E+03 -0.224955E-06 0.100000E-04    0.999877E+00
  71    0.533330E-05    0.107965E+03 -0.493985E-07 0.100000E-04    0.998041E+00
  72   -0.553426E-04    0.104787E+03  0.528142E-06 0.100000E-04    0.995906E+00
  73    0.268334E-04    0.103081E+03 -0.260313E-06 0.100000E-04    0.995962E+00
  74    0.290809E-04    0.997912E+02 -0.291418E-06 0.100000E-04    0.999165E+00
  75   -0.694368E-04    0.959565E+02  0.723629E-06 0.100000E-04    0.994800E+00
  76   -0.105550E-04    0.948996E+02  0.111223E-06 0.100000E-04    0.954704E+00
  77   -0.599195E-04    0.928127E+02  0.645596E-06 0.100000E-04    0.999351E+00
  78   -0.137551E-05    0.904618E+02  0.152054E-07 0.100000E-04    0.864634E+00
  79   -0.105594E-04    0.897546E+02  0.117647E-06 0.100000E-04    0.993076E+00
  80    0.214839E-04    0.849618E+02 -0.252865E-06 0.100000E-04    0.996868E+00
  81    0.213275E-04    0.809154E+02 -0.263577E-06 0.100000E-04    0.998789E+00
  82    0.718707E-06    0.797886E+02 -0.900764E-08 0.100000E-04    0.881117E+00
  83    0.157386E-04    0.783044E+02 -0.200993E-06 0.100000E-04    0.996750E+00
  84   -0.384386E-04    0.727717E+02  0.528208E-06 0.100000E-04    0.993749E+00
  85    0.436822E-04    0.721700E+02 -0.605267E-06 0.100000E-04    0.995810E+00
  86   -0.128715E-05    0.682869E+02  0.188492E-07 0.100000E-04    0.751478E+00
  87    0.427194E-04    0.666844E+02 -0.640621E-06 0.100000E-04    0.995622E+00
  88    0.426160E-05    0.632352E+02 -0.673928E-07 0.100000E-04    0.988586E+00
  89    0.521456E-04    0.602310E+02 -0.865759E-06 0.100000E-04    0.998704E+00
  90   -0.343011E-04    0.597225E+02  0.574341E-06 0.100000E-04    0.984026E+00
  91   -0.419737E-05    0.590641E+02  0.710647E-07 0.100000E-04    0.950208E+00
  92    0.611389E-04    0.560321E+02 -0.109114E-05 0.100000E-04    0.998767E+00
  93    0.298878E-04    0.528165E+02 -0.565880E-06 0.100000E-04    0.996773E+00
  94    0.460187E-04    0.522798E+02 -0.880238E-06 0.100000E-04    0.996749E+00
  95   -0.243760E-04    0.500874E+02  0.486671E-06 0.100000E-04    0.996550E+00
  96    0.796321E-05    0.475844E+02 -0.167349E-06 0.100000E-04    0.978116E+00
  97   -0.414458E-04    0.428930E+02  0.966260E-06 0.100000E-04    0.990868E+00
  98   -0.416267E-04    0.403647E+02  0.103127E-05 0.100000E-04    0.993090E+00
  99   -0.120944E-03    0.373785E+02  0.323565E-05 0.100000E-04    0.995289E+00
 100    0.101956E-03    0.361342E+02 -0.282159E-05 0.100000E-04    0.999815E+00
 101    0.186621E-04    0.347309E+02 -0.537333E-06 0.100000E-04    0.972592E+00
 102    0.982942E-04    0.288189E+02 -0.341076E-05 0.100000E-04    0.997091E+00
 103   -0.147779E-04    0.286648E+02  0.515541E-06 0.100000E-04    0.979917E+00
 104   -0.819190E-04    0.275707E+02  0.297123E-05 0.100000E-04    0.997599E+00
 105   -0.562226E-04    0.229696E+02  0.244769E-05 0.100000E-04    0.991292E+00
 106   -0.134108E-04    0.214420E+02  0.625447E-06 0.100000E-04    0.931334E+00
 107   -0.114047E-03    0.203576E+02  0.560220E-05 0.100000E-04    0.996276E+00
 108    0.514853E-05    0.168179E+02 -0.306134E-06 0.100000E-04    0.811560E+00
 109    0.730226E-04    0.137865E+02 -0.529668E-05 0.100000E-04    0.989637E+00
 110   -0.569676E-02    0.122510E+02  0.100000E-04 0.100000E-04    0.459688E+00
 111   -0.380229E-02    0.987956E+01  0.100000E-04 0.100000E-04    0.722683E+00
 112   -0.602811E-02    0.899837E+01  0.109000E-04 0.109000E-04    0.184618E+00
 113   -0.204336E-01    0.719572E+01  0.157463E-04 0.157463E-04    0.138394E+00
 114   -0.638897E+00    0.427322E+01 -0.400000E-03 0.400000E-03    0.526103E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1463112148    

 Beginning of optimization cycle  322.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3585211263
 potential> RMS force:                                               0.0600341792   |gradient|=.6409896295    
 Eigenvalues of the Hessian matrix:
   732.96891    673.51930    626.87598    604.20872    588.33713    571.15738 
   566.87067    482.75014    465.20601    461.34870    441.38208    429.72729 
   421.80395    407.91054    397.42697    388.83622    367.85193    361.80771 
   350.89071    336.31851    325.84089    321.46047    320.21339    312.83439 
   304.03560    288.52114    278.82048    270.74299    266.81813    264.17330 
   259.48675    253.90054    242.29515    238.16893    235.16244    228.53785 
   220.32870    213.70726    212.25568    207.40391    203.54096    197.55906 
   195.29848    191.53638    184.35611    175.17119    171.80327    167.54914 
   165.08651    159.08475    153.92300    151.29118    148.71837    143.25116 
   137.09089    135.79204    130.68143    128.01750    126.09244    125.58223 
   119.72550    118.06211    117.00766    111.07598    107.95611    104.78431 
   103.08197     99.78977     95.95030     94.89273     92.82537     90.46525 
    89.75076     84.96466     80.91526     79.79096     78.30311     72.77311 
    72.17466     68.28646     66.67169     63.23212     60.22225     59.72302 
    59.06478     56.03270     52.81299     52.28062     50.08612     47.58022 
    42.89192     40.36720     37.38280     36.13761     34.71913     28.81841 
    28.66360     27.56255     22.97124     21.43589     20.36235     16.81754 
    13.78685     12.25064      9.88090      8.99099      7.18977      4.26848 
overlap for current and previous eigenvector    109 is         0.9999996346
overlap for current and previous eigenvector    110 is         0.9999994951
overlap for current and previous eigenvector    111 is         0.9999971061
overlap for current and previous eigenvector    112 is         0.9999911835
overlap for current and previous eigenvector    113 is         0.9999939103
overlap for current and previous eigenvector    114 is         0.9999997162
J1,K1,R1,R2,RAT=   7   7   -0.7427363107E-02     2.007257007        0.9925726369    
FOB,PFOB,DIAG,PSTEP=   -0.4014819398E-05   -0.3985217221E-05     732.9689121        0.5437552176E-08
J1,K1,R1,R2,RAT=   8   8   -0.7496438699E-02     2.007469822        0.9925035613    
FOB,PFOB,DIAG,PSTEP=   -0.4608097922E-05   -0.4573810178E-05     673.5192960        0.6791002241E-08
J1,K1,R1,R2,RAT=   9   9   -0.7602720733         2.760233031        0.2397279267    
FOB,PFOB,DIAG,PSTEP=   -0.8546654588E-07   -0.4855262238E-07     626.8759781        0.7745323145E-10
J1,K1,R1,R2,RAT=  10  10    0.2869996877E-02     1.997153894        0.9971300031    
FOB,PFOB,DIAG,PSTEP=    0.1968194734E-05    0.1973859638E-05     604.2087208       -0.3266811603E-08
J1,K1,R1,R2,RAT=  11  11    0.1111011597E-01     1.988923226        0.9888898840    
FOB,PFOB,DIAG,PSTEP=   -0.1403992417E-05   -0.1419765918E-05     588.3371347        0.2413144039E-08
J1,K1,R1,R2,RAT= 109 109   -0.7203806009E-02     2.007149641        0.9927961940    
FOB,PFOB,DIAG,PSTEP=    0.7354868020E-04    0.7302262513E-04     13.78685102       -0.5296684699E-05
J1,K1,R1,R2,RAT= 110 110   -0.5339429197         93.53750059        0.4660570803    
FOB,PFOB,DIAG,PSTEP=   -0.5762176199E-02   -0.5696764783E-02     12.25063842        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2698649753         76.69250506        0.7301350247    
FOB,PFOB,DIAG,PSTEP=   -0.3775623062E-02   -0.3802288156E-02     9.880901937        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7257453063         123.7461298        0.2742546937    
FOB,PFOB,DIAG,PSTEP=   -0.6099232987E-02   -0.6028108651E-02     8.990989473        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7754996904         361.7551496        0.2245003096    
FOB,PFOB,DIAG,PSTEP=   -0.2052144289E-01   -0.2043364688E-01     7.189774061        0.1574627810E-04
J1,K1,R1,R2,RAT= 114 114    0.9945451711        -749.3839050        0.5454828879E-02
FOB,PFOB,DIAG,PSTEP=   -0.6405948821       -0.6388968041         4.268478672       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002      0.00000     -0.00001     -0.00002 
    -0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00003     -0.00003      0.00002      0.00002      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00001      0.00003     -0.00001     -0.00006 
     0.00003     -0.00003      0.00007      0.00001      0.00006     -0.00000 
    -0.00001     -0.00002     -0.00002      0.00000      0.00002      0.00004 
    -0.00004     -0.00000      0.00004     -0.00000      0.00005      0.00003 
     0.00000      0.00006      0.00003      0.00005     -0.00002      0.00001 
    -0.00004     -0.00004      0.00012      0.00010      0.00002     -0.00010 
    -0.00002      0.00008     -0.00006     -0.00001     -0.00011      0.00001 
     0.00007     -0.00576     -0.00378     -0.00610     -0.02052     -0.64059 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4269754989
 Log product of positive Hessian eigenvalues =          519.8457775222
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2684786721
 Unscaled step for mode    7=        0.0000000055
 Unscaled step for mode    8=        0.0000000068
 Unscaled step for mode    9=        0.0000000001
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000032
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000039
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000126
 Unscaled step for mode   17=       -0.0000000098
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000376
 Unscaled step for mode   20=       -0.0000000189
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000178
 Unscaled step for mode   23=       -0.0000000010
 Unscaled step for mode   24=        0.0000000041
 Unscaled step for mode   25=        0.0000000555
 Unscaled step for mode   26=        0.0000000953
 Unscaled step for mode   27=        0.0000000496
 Unscaled step for mode   28=       -0.0000000405
 Unscaled step for mode   29=       -0.0000000261
 Unscaled step for mode   30=        0.0000000789
 Unscaled step for mode   31=        0.0000000454
 Unscaled step for mode   32=        0.0000000207
 Unscaled step for mode   33=       -0.0000000411
 Unscaled step for mode   34=       -0.0000000363
 Unscaled step for mode   35=       -0.0000000891
 Unscaled step for mode   36=       -0.0000000634
 Unscaled step for mode   37=        0.0000000674
 Unscaled step for mode   38=        0.0000000052
 Unscaled step for mode   39=        0.0000000780
 Unscaled step for mode   40=        0.0000000375
 Unscaled step for mode   41=        0.0000001583
 Unscaled step for mode   42=        0.0000000492
 Unscaled step for mode   43=        0.0000000604
 Unscaled step for mode   44=        0.0000001107
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001113
 Unscaled step for mode   47=        0.0000001462
 Unscaled step for mode   48=       -0.0000000227
 Unscaled step for mode   49=        0.0000001220
 Unscaled step for mode   50=       -0.0000000490
 Unscaled step for mode   51=        0.0000000841
 Unscaled step for mode   52=       -0.0000000171
 Unscaled step for mode   53=        0.0000000724
 Unscaled step for mode   54=        0.0000000983
 Unscaled step for mode   55=        0.0000001213
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=       -0.0000000619
 Unscaled step for mode   58=        0.0000001546
 Unscaled step for mode   59=       -0.0000000038
 Unscaled step for mode   60=       -0.0000001513
 Unscaled step for mode   61=       -0.0000001893
 Unscaled step for mode   62=        0.0000002226
 Unscaled step for mode   63=       -0.0000001754
 Unscaled step for mode   64=       -0.0000001910
 Unscaled step for mode   65=       -0.0000001276
 Unscaled step for mode   66=        0.0000001782
 Unscaled step for mode   67=        0.0000000553
 Unscaled step for mode   68=        0.0000000769
 Unscaled step for mode   69=        0.0000000464
 Unscaled step for mode   70=       -0.0000002263
 Unscaled step for mode   71=        0.0000000499
 Unscaled step for mode   72=        0.0000005303
 Unscaled step for mode   73=       -0.0000002607
 Unscaled step for mode   74=        0.0000002908
 Unscaled step for mode   75=       -0.0000007268
 Unscaled step for mode   76=       -0.0000001057
 Unscaled step for mode   77=       -0.0000006434
 Unscaled step for mode   78=        0.0000000158
 Unscaled step for mode   79=        0.0000001169
 Unscaled step for mode   80=        0.0000002528
 Unscaled step for mode   81=        0.0000002646
 Unscaled step for mode   82=       -0.0000000114
 Unscaled step for mode   83=       -0.0000002007
 Unscaled step for mode   84=       -0.0000005296
 Unscaled step for mode   85=        0.0000006035
 Unscaled step for mode   86=        0.0000000216
 Unscaled step for mode   87=       -0.0000006396
 Unscaled step for mode   88=        0.0000000702
 Unscaled step for mode   89=       -0.0000008628
 Unscaled step for mode   90=       -0.0000005780
 Unscaled step for mode   91=       -0.0000000727
 Unscaled step for mode   92=       -0.0000010913
 Unscaled step for mode   93=       -0.0000005617
 Unscaled step for mode   94=       -0.0000008829
 Unscaled step for mode   95=        0.0000004842
 Unscaled step for mode   96=       -0.0000001673
 Unscaled step for mode   97=        0.0000009622
 Unscaled step for mode   98=        0.0000010330
 Unscaled step for mode   99=       -0.0000032323
 Unscaled step for mode  100=       -0.0000028085
 Unscaled step for mode  101=       -0.0000005365
 Unscaled step for mode  102=        0.0000034110
 Unscaled step for mode  103=        0.0000005342
 Unscaled step for mode  104=       -0.0000029955
 Unscaled step for mode  105=        0.0000024421
 Unscaled step for mode  106=        0.0000006110
 Unscaled step for mode  107=        0.0000055567
 Unscaled step for mode  108=       -0.0000003253
 Unscaled step for mode  109=       -0.0000053347
 Unscaled step for mode  110=        0.0004703571
 Unscaled step for mode  111=        0.0003821131
 Unscaled step for mode  112=        0.0006783714
 Unscaled step for mode  113=        0.0028542310
 Unscaled step for mode  114=       -0.1468397703
 Largest modulus ratio of non-zero e/values=           171.7166626    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.395951E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.407335E-15    0.100713E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.153696E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.319009E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.244590E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.660116E-15    0.973885E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.401482E-05    0.732969E+03  0.547748E-08 0.100000E-04    0.992573E+00
   8   -0.460810E-05    0.673519E+03  0.684182E-08 0.100000E-04    0.992504E+00
   9   -0.854665E-07    0.626876E+03  0.136337E-09 0.100000E-04    0.239728E+00
  10    0.196819E-05    0.604209E+03 -0.325747E-08 0.100000E-04    0.997130E+00
  11   -0.140399E-05    0.588337E+03  0.238637E-08 0.100000E-04    0.988890E+00
  12   -0.181682E-05    0.571157E+03  0.318094E-08 0.100000E-04    0.950042E+00
  13   -0.349552E-05    0.566871E+03  0.616634E-08 0.100000E-04    0.998522E+00
  14   -0.190531E-05    0.482750E+03  0.394679E-08 0.100000E-04    0.969931E+00
  15    0.181494E-05    0.465206E+03 -0.390138E-08 0.100000E-04    0.992381E+00
  16    0.582214E-05    0.461349E+03 -0.126198E-07 0.100000E-04    0.997617E+00
  17    0.433502E-05    0.441382E+03 -0.982146E-08 0.100000E-04    0.995013E+00
  18    0.498604E-05    0.429727E+03 -0.116028E-07 0.100000E-04    0.993391E+00
  19   -0.158755E-04    0.421804E+03  0.376371E-07 0.100000E-04    0.998498E+00
  20    0.772615E-05    0.407911E+03 -0.189408E-07 0.100000E-04    0.992789E+00
  21    0.717274E-05    0.397427E+03 -0.180479E-07 0.100000E-04    0.995604E+00
  22   -0.692524E-05    0.388836E+03  0.178102E-07 0.100000E-04    0.990192E+00
  23    0.380438E-06    0.367852E+03 -0.103421E-08 0.100000E-04    0.829485E+00
  24   -0.149328E-05    0.361808E+03  0.412729E-08 0.100000E-04    0.957286E+00
  25   -0.194870E-04    0.350891E+03  0.555359E-07 0.100000E-04    0.998710E+00
  26   -0.320604E-04    0.336319E+03  0.953275E-07 0.100000E-04    0.998078E+00
  27   -0.161597E-04    0.325841E+03  0.495939E-07 0.100000E-04    0.998695E+00
  28    0.130139E-04    0.321460E+03 -0.404836E-07 0.100000E-04    0.994332E+00
  29    0.837156E-05    0.320213E+03 -0.261437E-07 0.100000E-04    0.981647E+00
  30   -0.246925E-04    0.312834E+03  0.789317E-07 0.100000E-04    0.997731E+00
  31   -0.138126E-04    0.304036E+03  0.454309E-07 0.100000E-04    0.992632E+00
  32   -0.595919E-05    0.288521E+03  0.206543E-07 0.100000E-04    0.988482E+00
  33    0.114616E-04    0.278820E+03 -0.411076E-07 0.100000E-04    0.996827E+00
  34    0.982005E-05    0.270743E+03 -0.362707E-07 0.100000E-04    0.993143E+00
  35    0.237782E-04    0.266818E+03 -0.891176E-07 0.100000E-04    0.997989E+00
  36    0.167396E-04    0.264173E+03 -0.633660E-07 0.100000E-04    0.992481E+00
  37   -0.174795E-04    0.259487E+03  0.673619E-07 0.100000E-04    0.997426E+00
  38   -0.132418E-05    0.253901E+03  0.521535E-08 0.100000E-04    0.960763E+00
  39   -0.188941E-04    0.242295E+03  0.779797E-07 0.100000E-04    0.998650E+00
  40   -0.892910E-05    0.238169E+03  0.374906E-07 0.100000E-04    0.972732E+00
  41   -0.372323E-04    0.235162E+03  0.158326E-06 0.100000E-04    0.995177E+00
  42   -0.112508E-04    0.228538E+03  0.492293E-07 0.100000E-04    0.988928E+00
  43   -0.133045E-04    0.220329E+03  0.603846E-07 0.100000E-04    0.992297E+00
  44   -0.236632E-04    0.213707E+03  0.110727E-06 0.100000E-04    0.991454E+00
  45    0.801417E-06    0.212256E+03 -0.377572E-08 0.100000E-04    0.972969E+00
  46    0.230912E-04    0.207404E+03 -0.111334E-06 0.100000E-04    0.994313E+00
  47   -0.297481E-04    0.203541E+03  0.146153E-06 0.100000E-04    0.997866E+00
  48    0.449239E-05    0.197559E+03 -0.227395E-07 0.100000E-04    0.997938E+00
  49   -0.238210E-04    0.195298E+03  0.121972E-06 0.100000E-04    0.995460E+00
  50    0.937904E-05    0.191536E+03 -0.489674E-07 0.100000E-04    0.991537E+00
  51   -0.155048E-04    0.184356E+03  0.841025E-07 0.100000E-04    0.997358E+00
  52    0.299613E-05    0.175171E+03 -0.171040E-07 0.100000E-04    0.988717E+00
  53   -0.124446E-04    0.171803E+03  0.724350E-07 0.100000E-04    0.999682E+00
  54   -0.164648E-04    0.167549E+03  0.982683E-07 0.100000E-04    0.995505E+00
  55   -0.200178E-04    0.165087E+03  0.121256E-06 0.100000E-04    0.998132E+00
  56    0.592767E-05    0.159085E+03 -0.372611E-07 0.100000E-04    0.990503E+00
  57    0.952294E-05    0.153923E+03 -0.618682E-07 0.100000E-04    0.999390E+00
  58   -0.233853E-04    0.151291E+03  0.154571E-06 0.100000E-04    0.997589E+00
  59    0.566871E-06    0.148718E+03 -0.381171E-08 0.100000E-04    0.828356E+00
  60    0.216684E-04    0.143251E+03 -0.151262E-06 0.100000E-04    0.999046E+00
  61    0.259521E-04    0.137091E+03 -0.189306E-06 0.100000E-04    0.997815E+00
  62   -0.302248E-04    0.135792E+03  0.222582E-06 0.100000E-04    0.998352E+00
  63    0.229180E-04    0.130681E+03 -0.175373E-06 0.100000E-04    0.997327E+00
  64    0.244465E-04    0.128018E+03 -0.190963E-06 0.100000E-04    0.994423E+00
  65    0.160924E-04    0.126092E+03 -0.127623E-06 0.100000E-04    0.991469E+00
  66   -0.223840E-04    0.125582E+03  0.178242E-06 0.100000E-04    0.994394E+00
  67   -0.661997E-05    0.119725E+03  0.552929E-07 0.100000E-04    0.980584E+00
  68   -0.907368E-05    0.118062E+03  0.768552E-07 0.100000E-04    0.997932E+00
  69   -0.542356E-05    0.117008E+03  0.463522E-07 0.100000E-04    0.999626E+00
  70    0.251319E-04    0.111076E+03 -0.226259E-06 0.100000E-04    0.994259E+00
  71   -0.539042E-05    0.107956E+03  0.499316E-07 0.100000E-04    0.989289E+00
  72   -0.555689E-04    0.104784E+03  0.530317E-06 0.100000E-04    0.995909E+00
  73    0.268754E-04    0.103082E+03 -0.260718E-06 0.100000E-04    0.998436E+00
  74   -0.290164E-04    0.997898E+02  0.290775E-06 0.100000E-04    0.997782E+00
  75    0.697336E-04    0.959503E+02 -0.726768E-06 0.100000E-04    0.995726E+00
  76    0.100296E-04    0.948927E+02 -0.105694E-06 0.100000E-04    0.950222E+00
  77    0.597212E-04    0.928254E+02 -0.643371E-06 0.100000E-04    0.996417E+00
  78   -0.143137E-05    0.904652E+02  0.158223E-07 0.100000E-04    0.959388E+00
  79   -0.104897E-04    0.897508E+02  0.116875E-06 0.100000E-04    0.993399E+00
  80   -0.214784E-04    0.849647E+02  0.252792E-06 0.100000E-04    0.999675E+00
  81   -0.214081E-04    0.809153E+02  0.264575E-06 0.100000E-04    0.996218E+00
  82    0.912730E-06    0.797910E+02 -0.114390E-07 0.100000E-04    0.730047E+00
  83    0.157173E-04    0.783031E+02 -0.200724E-06 0.100000E-04    0.998648E+00
  84    0.385376E-04    0.727731E+02 -0.529558E-06 0.100000E-04    0.997425E+00
  85   -0.435571E-04    0.721747E+02  0.603496E-06 0.100000E-04    0.997009E+00
  86   -0.147509E-05    0.682865E+02  0.216015E-07 0.100000E-04    0.853988E+00
  87    0.426444E-04    0.666717E+02 -0.639618E-06 0.100000E-04    0.998244E+00
  88   -0.443796E-05    0.632321E+02  0.701853E-07 0.100000E-04    0.958614E+00
  89    0.519597E-04    0.602223E+02 -0.862799E-06 0.100000E-04    0.996435E+00
  90    0.345179E-04    0.597230E+02 -0.577967E-06 0.100000E-04    0.993679E+00
  91    0.429509E-05    0.590648E+02 -0.727183E-07 0.100000E-04    0.976721E+00
  92    0.611512E-04    0.560327E+02 -0.109135E-05 0.100000E-04    0.999799E+00
  93    0.296672E-04    0.528130E+02 -0.561741E-06 0.100000E-04    0.992618E+00
  94    0.461587E-04    0.522806E+02 -0.882903E-06 0.100000E-04    0.996957E+00
  95   -0.242522E-04    0.500861E+02  0.484209E-06 0.100000E-04    0.994917E+00
  96    0.796122E-05    0.475802E+02 -0.167322E-06 0.100000E-04    0.999751E+00
  97   -0.412722E-04    0.428919E+02  0.962237E-06 0.100000E-04    0.995810E+00
  98   -0.416985E-04    0.403672E+02  0.103298E-05 0.100000E-04    0.998277E+00
  99    0.120834E-03    0.373828E+02 -0.323234E-05 0.100000E-04    0.998862E+00
 100    0.101494E-03    0.361376E+02 -0.280854E-05 0.100000E-04    0.995281E+00
 101    0.186258E-04    0.347191E+02 -0.536472E-06 0.100000E-04    0.998057E+00
 102   -0.983003E-04    0.288184E+02  0.341102E-05 0.100000E-04    0.999938E+00
 103   -0.153130E-04    0.286636E+02  0.534231E-06 0.100000E-04    0.963789E+00
 104    0.825640E-04    0.275625E+02 -0.299551E-05 0.100000E-04    0.992124E+00
 105   -0.560983E-04    0.229712E+02  0.244211E-05 0.100000E-04    0.997650E+00
 106   -0.130964E-04    0.214359E+02  0.610958E-06 0.100000E-04    0.976548E+00
 107   -0.113147E-03    0.203624E+02  0.555665E-05 0.100000E-04    0.991636E+00
 108    0.547062E-05    0.168175E+02 -0.325292E-06 0.100000E-04    0.937439E+00
 109    0.735487E-04    0.137869E+02 -0.533470E-05 0.100000E-04    0.992796E+00
 110   -0.576218E-02    0.122506E+02  0.100000E-04 0.100000E-04    0.466057E+00
 111   -0.377562E-02    0.988090E+01  0.100000E-04 0.100000E-04    0.730135E+00
 112   -0.609923E-02    0.899099E+01  0.100000E-04 0.100000E-04    0.274255E+00
 113   -0.205214E-01    0.718977E+01  0.141858E-04 0.141858E-04    0.224500E+00
 114   -0.640595E+00    0.426848E+01 -0.400000E-03 0.400000E-03    0.545483E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1468397703    

 Beginning of optimization cycle  323.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3582649937
 potential> RMS force:                                               0.0601933484   |gradient|=.6426890910    
 Eigenvalues of the Hessian matrix:
   733.03134    673.52835    626.88809    604.20147    588.32737    571.20029 
   566.87715    482.77539    465.18277    461.34180    441.38339    429.71956 
   421.80830    407.91859    397.42195    388.83541    367.85900    361.79891 
   350.88340    336.29850    325.85309    321.45886    320.21883    312.80965 
   304.02409    288.52996    278.81525    270.74536    266.82699    264.18081 
   259.50053    253.90224    242.29081    238.18036    235.15015    228.53420 
   220.30799    213.71502    212.26161    207.39781    203.54257    197.55266 
   195.29525    191.53507    184.34598    175.15997    171.80905    167.54928 
   165.07977    159.07452    153.92798    151.29650    148.71068    143.25354 
   137.09323    135.79519    130.67980    128.02190    126.09444    125.58090 
   119.72733    118.06302    117.00930    111.06999    107.94746    104.78133 
   103.08261     99.78834     95.94427     94.88575     92.83799     90.46874 
    89.74687     84.96751     80.91511     79.79333     78.30187     72.77462 
    72.17937     68.28609     66.65906     63.22896     60.21356     59.72347 
    59.06537     56.03332     52.80950     52.28146     50.08485     47.57603 
    42.89078     40.36972     37.38712     36.14102     34.70735     28.81795 
    28.66241     27.55438     22.97284     21.42972     20.36708     16.81718 
    13.78722     12.25031      9.88226      8.98354      7.18378      4.26373 
overlap for current and previous eigenvector    109 is         0.9999996333
overlap for current and previous eigenvector    110 is        -0.9999994966
overlap for current and previous eigenvector    111 is         0.9999972055
overlap for current and previous eigenvector    112 is        -0.9999912111
overlap for current and previous eigenvector    113 is         0.9999938434
overlap for current and previous eigenvector    114 is         0.9999997230
J1,K1,R1,R2,RAT=   7   7   -0.7300551190E-02     2.007130229        0.9926994488    
FOB,PFOB,DIAG,PSTEP=   -0.4044132288E-05   -0.4014819398E-05     733.0313378        0.5477475690E-08
J1,K1,R1,R2,RAT=   8   8   -0.2478047335E-03     2.000220919        0.9997521953    
FOB,PFOB,DIAG,PSTEP=   -0.4609239846E-05   -0.4608097922E-05     673.5283502        0.6841820197E-08
J1,K1,R1,R2,RAT=   9   9    0.2165139029         1.783447458        0.7834474579    
FOB,PFOB,DIAG,PSTEP=   -0.6696149296E-07   -0.8546654588E-07     626.8880893        0.1363372483E-09
J1,K1,R1,R2,RAT=  10  10   -0.1026551645E-01     2.010289511        0.9897344836    
FOB,PFOB,DIAG,PSTEP=    0.1988399027E-05    0.1968194734E-05     604.2014720       -0.3257474887E-08
J1,K1,R1,R2,RAT=  11  11   -0.1989001110E-01     2.019923192        0.9801099889    
FOB,PFOB,DIAG,PSTEP=   -0.1431917378E-05   -0.1403992417E-05     588.3273742        0.2386373958E-08
J1,K1,R1,R2,RAT= 109 109    0.1032400907E-01     1.989622144        0.9896221445    
FOB,PFOB,DIAG,PSTEP=    0.7278934251E-04    0.7354868020E-04     13.78722221       -0.5334697540E-05
J1,K1,R1,R2,RAT= 110 110     94.61938090       -0.5454486803        0.4545513197    
FOB,PFOB,DIAG,PSTEP=    0.5828995377E-02   -0.5762176199E-02     12.25031433        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2810432341         76.13113235        0.7189567659    
FOB,PFOB,DIAG,PSTEP=   -0.3747849653E-02   -0.3775623062E-02     9.882255108        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     136.5986040       -0.8117499422        0.1882500578    
FOB,PFOB,DIAG,PSTEP=    0.6172156865E-02   -0.6099232987E-02     8.983539725        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9011921469         403.6460490        0.9880785308E-01
FOB,PFOB,DIAG,PSTEP=   -0.2061328150E-01   -0.2052144289E-01     7.183778738        0.1418583612E-04
J1,K1,R1,R2,RAT= 114 114    0.9946855404        -752.2090838        0.5314459553E-02
FOB,PFOB,DIAG,PSTEP=   -0.6422913098       -0.6405948821         4.263728727       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00003      0.00003     -0.00002     -0.00002      0.00002      0.00002 
    -0.00001     -0.00001     -0.00001     -0.00003     -0.00001      0.00006 
     0.00003      0.00003      0.00007      0.00001     -0.00006      0.00000 
     0.00001      0.00002      0.00002      0.00000      0.00002      0.00004 
    -0.00004      0.00000     -0.00004      0.00000     -0.00005      0.00004 
    -0.00000      0.00006     -0.00003      0.00005     -0.00002     -0.00001 
    -0.00004     -0.00004      0.00012     -0.00010     -0.00002      0.00010 
     0.00002      0.00008      0.00006      0.00001      0.00011     -0.00000 
     0.00007      0.00583     -0.00375      0.00617     -0.02061     -0.64229 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4268312612
 Log product of positive Hessian eigenvalues =          519.8420698267
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2637287274
 Unscaled step for mode    7=        0.0000000055
 Unscaled step for mode    8=        0.0000000068
 Unscaled step for mode    9=        0.0000000001
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000032
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000039
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000127
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000378
 Unscaled step for mode   20=       -0.0000000190
 Unscaled step for mode   21=       -0.0000000181
 Unscaled step for mode   22=        0.0000000178
 Unscaled step for mode   23=       -0.0000000009
 Unscaled step for mode   24=        0.0000000041
 Unscaled step for mode   25=        0.0000000558
 Unscaled step for mode   26=        0.0000000956
 Unscaled step for mode   27=        0.0000000497
 Unscaled step for mode   28=       -0.0000000408
 Unscaled step for mode   29=       -0.0000000266
 Unscaled step for mode   30=        0.0000000788
 Unscaled step for mode   31=        0.0000000456
 Unscaled step for mode   32=        0.0000000206
 Unscaled step for mode   33=       -0.0000000413
 Unscaled step for mode   34=       -0.0000000365
 Unscaled step for mode   35=       -0.0000000890
 Unscaled step for mode   36=       -0.0000000634
 Unscaled step for mode   37=        0.0000000676
 Unscaled step for mode   38=        0.0000000051
 Unscaled step for mode   39=        0.0000000782
 Unscaled step for mode   40=        0.0000000381
 Unscaled step for mode   41=        0.0000001586
 Unscaled step for mode   42=        0.0000000492
 Unscaled step for mode   43=        0.0000000606
 Unscaled step for mode   44=        0.0000001109
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001117
 Unscaled step for mode   47=        0.0000001459
 Unscaled step for mode   48=       -0.0000000230
 Unscaled step for mode   49=        0.0000001222
 Unscaled step for mode   50=       -0.0000000495
 Unscaled step for mode   51=        0.0000000844
 Unscaled step for mode   52=        0.0000000173
 Unscaled step for mode   53=       -0.0000000729
 Unscaled step for mode   54=       -0.0000000988
 Unscaled step for mode   55=       -0.0000001213
 Unscaled step for mode   56=        0.0000000369
 Unscaled step for mode   57=       -0.0000000626
 Unscaled step for mode   58=        0.0000001549
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=        0.0000001518
 Unscaled step for mode   61=       -0.0000001909
 Unscaled step for mode   62=       -0.0000002224
 Unscaled step for mode   63=        0.0000001761
 Unscaled step for mode   64=        0.0000001922
 Unscaled step for mode   65=       -0.0000001301
 Unscaled step for mode   66=       -0.0000001773
 Unscaled step for mode   67=        0.0000000549
 Unscaled step for mode   68=        0.0000000772
 Unscaled step for mode   69=        0.0000000469
 Unscaled step for mode   70=        0.0000002262
 Unscaled step for mode   71=        0.0000000498
 Unscaled step for mode   72=       -0.0000005325
 Unscaled step for mode   73=       -0.0000002618
 Unscaled step for mode   74=       -0.0000002910
 Unscaled step for mode   75=       -0.0000007305
 Unscaled step for mode   76=       -0.0000001003
 Unscaled step for mode   77=        0.0000006430
 Unscaled step for mode   78=       -0.0000000177
 Unscaled step for mode   79=       -0.0000001161
 Unscaled step for mode   80=       -0.0000002536
 Unscaled step for mode   81=       -0.0000002649
 Unscaled step for mode   82=       -0.0000000124
 Unscaled step for mode   83=       -0.0000002014
 Unscaled step for mode   84=       -0.0000005328
 Unscaled step for mode   85=        0.0000006059
 Unscaled step for mode   86=       -0.0000000253
 Unscaled step for mode   87=        0.0000006425
 Unscaled step for mode   88=       -0.0000000694
 Unscaled step for mode   89=        0.0000008637
 Unscaled step for mode   90=       -0.0000005874
 Unscaled step for mode   91=        0.0000000762
 Unscaled step for mode   92=       -0.0000010926
 Unscaled step for mode   93=        0.0000005598
 Unscaled step for mode   94=       -0.0000008857
 Unscaled step for mode   95=        0.0000004825
 Unscaled step for mode   96=        0.0000001635
 Unscaled step for mode   97=        0.0000009709
 Unscaled step for mode   98=        0.0000010400
 Unscaled step for mode   99=       -0.0000032468
 Unscaled step for mode  100=        0.0000028088
 Unscaled step for mode  101=        0.0000005510
 Unscaled step for mode  102=       -0.0000034208
 Unscaled step for mode  103=       -0.0000005443
 Unscaled step for mode  104=       -0.0000030035
 Unscaled step for mode  105=       -0.0000024633
 Unscaled step for mode  106=       -0.0000006517
 Unscaled step for mode  107=       -0.0000055757
 Unscaled step for mode  108=        0.0000002545
 Unscaled step for mode  109=       -0.0000052795
 Unscaled step for mode  110=       -0.0004758240
 Unscaled step for mode  111=        0.0003792504
 Unscaled step for mode  112=       -0.0006870514
 Unscaled step for mode  113=        0.0028693968
 Unscaled step for mode  114=       -0.1473691866
 Largest modulus ratio of non-zero e/values=           171.9226022    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.723813E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.792660E-15    0.100713E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.855652E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.626114E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.841910E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.301408E-16    0.973887E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.404413E-05    0.733031E+03  0.551700E-08 0.100000E-04    0.992699E+00
   8   -0.460924E-05    0.673528E+03  0.684342E-08 0.100000E-04    0.999752E+00
   9   -0.669615E-07    0.626888E+03  0.106816E-09 0.100000E-04    0.783447E+00
  10    0.198840E-05    0.604201E+03 -0.329095E-08 0.100000E-04    0.989734E+00
  11   -0.143192E-05    0.588327E+03  0.243388E-08 0.100000E-04    0.980110E+00
  12   -0.180080E-05    0.571200E+03  0.315267E-08 0.100000E-04    0.991037E+00
  13   -0.350759E-05    0.566877E+03  0.618757E-08 0.100000E-04    0.996545E+00
  14   -0.189081E-05    0.482775E+03  0.391654E-08 0.100000E-04    0.992285E+00
  15    0.183132E-05    0.465183E+03 -0.393678E-08 0.100000E-04    0.990976E+00
  16    0.585508E-05    0.461342E+03 -0.126914E-07 0.100000E-04    0.994343E+00
  17    0.438267E-05    0.441383E+03 -0.992940E-08 0.100000E-04    0.989007E+00
  18    0.502733E-05    0.429720E+03 -0.116991E-07 0.100000E-04    0.991719E+00
  19   -0.159377E-04    0.421808E+03  0.377842E-07 0.100000E-04    0.996082E+00
  20    0.774845E-05    0.407919E+03 -0.189951E-07 0.100000E-04    0.997113E+00
  21    0.719545E-05    0.397422E+03 -0.181053E-07 0.100000E-04    0.996833E+00
  22   -0.693748E-05    0.388835E+03  0.178417E-07 0.100000E-04    0.998232E+00
  23    0.340432E-06    0.367859E+03 -0.925442E-09 0.100000E-04    0.894808E+00
  24   -0.149242E-05    0.361799E+03  0.412499E-08 0.100000E-04    0.999420E+00
  25   -0.195622E-04    0.350883E+03  0.557514E-07 0.100000E-04    0.996142E+00
  26   -0.321356E-04    0.336299E+03  0.955568E-07 0.100000E-04    0.997654E+00
  27   -0.162050E-04    0.325853E+03  0.497311E-07 0.100000E-04    0.997196E+00
  28    0.131150E-04    0.321459E+03 -0.407983E-07 0.100000E-04    0.992230E+00
  29    0.851622E-05    0.320219E+03 -0.265950E-07 0.100000E-04    0.982720E+00
  30   -0.246624E-04    0.312810E+03  0.788415E-07 0.100000E-04    0.998778E+00
  31   -0.138709E-04    0.304024E+03  0.456245E-07 0.100000E-04    0.995776E+00
  32   -0.595549E-05    0.288530E+03  0.206408E-07 0.100000E-04    0.999318E+00
  33    0.115060E-04    0.278815E+03 -0.412676E-07 0.100000E-04    0.996126E+00
  34    0.988417E-05    0.270745E+03 -0.365072E-07 0.100000E-04    0.993471E+00
  35    0.237490E-04    0.266827E+03 -0.890052E-07 0.100000E-04    0.998705E+00
  36    0.167579E-04    0.264181E+03 -0.634336E-07 0.100000E-04    0.998905E+00
  37   -0.175505E-04    0.259501E+03  0.676317E-07 0.100000E-04    0.995941E+00
  38   -0.129266E-05    0.253902E+03  0.509118E-08 0.100000E-04    0.976184E+00
  39   -0.189461E-04    0.242291E+03  0.781958E-07 0.100000E-04    0.997246E+00
  40   -0.908317E-05    0.238180E+03  0.381357E-07 0.100000E-04    0.982746E+00
  41   -0.372898E-04    0.235150E+03  0.158579E-06 0.100000E-04    0.998456E+00
  42   -0.112406E-04    0.228534E+03  0.491856E-07 0.100000E-04    0.999098E+00
  43   -0.133539E-04    0.220308E+03  0.606149E-07 0.100000E-04    0.996280E+00
  44   -0.236988E-04    0.213715E+03  0.110890E-06 0.100000E-04    0.998496E+00
  45    0.826270E-06    0.212262E+03 -0.389270E-08 0.100000E-04    0.968989E+00
  46    0.231721E-04    0.207398E+03 -0.111728E-06 0.100000E-04    0.996496E+00
  47   -0.297056E-04    0.203543E+03  0.145943E-06 0.100000E-04    0.998554E+00
  48    0.455192E-05    0.197553E+03 -0.230416E-07 0.100000E-04    0.986748E+00
  49   -0.238588E-04    0.195295E+03  0.122168E-06 0.100000E-04    0.998413E+00
  50    0.948938E-05    0.191535E+03 -0.495438E-07 0.100000E-04    0.988236E+00
  51   -0.155518E-04    0.184346E+03  0.843618E-07 0.100000E-04    0.996973E+00
  52   -0.302331E-05    0.175160E+03  0.172603E-07 0.100000E-04    0.990928E+00
  53    0.125199E-04    0.171809E+03 -0.728710E-07 0.100000E-04    0.993947E+00
  54    0.165506E-04    0.167549E+03 -0.987804E-07 0.100000E-04    0.994788E+00
  55    0.200179E-04    0.165080E+03 -0.121262E-06 0.100000E-04    0.999995E+00
  56   -0.586798E-05    0.159075E+03  0.368882E-07 0.100000E-04    0.989929E+00
  57    0.963854E-05    0.153928E+03 -0.626172E-07 0.100000E-04    0.987861E+00
  58   -0.234316E-04    0.151297E+03  0.154872E-06 0.100000E-04    0.998022E+00
  59   -0.603980E-06    0.148711E+03  0.406144E-08 0.100000E-04    0.934533E+00
  60   -0.217513E-04    0.143254E+03  0.151838E-06 0.100000E-04    0.996174E+00
  61    0.261748E-04    0.137093E+03 -0.190927E-06 0.100000E-04    0.991418E+00
  62    0.302033E-04    0.135795E+03 -0.222418E-06 0.100000E-04    0.999243E+00
  63   -0.230075E-04    0.130680E+03  0.176060E-06 0.100000E-04    0.996098E+00
  64   -0.246078E-04    0.128022E+03  0.192216E-06 0.100000E-04    0.993404E+00
  65    0.164018E-04    0.126094E+03 -0.130075E-06 0.100000E-04    0.980773E+00
  66    0.222694E-04    0.125581E+03 -0.177331E-06 0.100000E-04    0.994879E+00
  67   -0.657870E-05    0.119727E+03  0.549473E-07 0.100000E-04    0.993735E+00
  68   -0.911953E-05    0.118063E+03  0.772429E-07 0.100000E-04    0.994947E+00
  69   -0.548454E-05    0.117009E+03  0.468727E-07 0.100000E-04    0.988757E+00
  70   -0.251295E-04    0.111070E+03  0.226249E-06 0.100000E-04    0.999904E+00
  71   -0.538009E-05    0.107947E+03  0.498399E-07 0.100000E-04    0.998082E+00
  72    0.557939E-04    0.104781E+03 -0.532480E-06 0.100000E-04    0.995951E+00
  73    0.269827E-04    0.103083E+03 -0.261758E-06 0.100000E-04    0.996008E+00
  74    0.290385E-04    0.997883E+02 -0.291001E-06 0.100000E-04    0.999240E+00
  75    0.700859E-04    0.959443E+02 -0.730485E-06 0.100000E-04    0.994948E+00
  76    0.951814E-05    0.948858E+02 -0.100312E-06 0.100000E-04    0.948997E+00
  77   -0.596926E-04    0.928380E+02  0.642976E-06 0.100000E-04    0.999250E+00
  78    0.160118E-05    0.904687E+02 -0.176987E-07 0.100000E-04    0.881372E+00
  79    0.104189E-04    0.897469E+02 -0.116093E-06 0.100000E-04    0.993259E+00
  80    0.215445E-04    0.849675E+02 -0.253562E-06 0.100000E-04    0.996920E+00
  81    0.214334E-04    0.809151E+02 -0.264887E-06 0.100000E-04    0.998819E+00
  82    0.990256E-06    0.797933E+02 -0.124103E-07 0.100000E-04    0.915064E+00
  83    0.157694E-04    0.783019E+02 -0.201392E-06 0.100000E-04    0.996688E+00
  84    0.387769E-04    0.727746E+02 -0.532835E-06 0.100000E-04    0.993790E+00
  85   -0.437333E-04    0.721794E+02  0.605897E-06 0.100000E-04    0.995957E+00
  86    0.173089E-05    0.682861E+02 -0.253476E-07 0.100000E-04    0.826589E+00
  87   -0.428302E-04    0.666591E+02  0.642527E-06 0.100000E-04    0.995643E+00
  88    0.438883E-05    0.632290E+02 -0.694117E-07 0.100000E-04    0.988929E+00
  89   -0.520047E-04    0.602136E+02  0.863672E-06 0.100000E-04    0.999133E+00
  90    0.350799E-04    0.597235E+02 -0.587371E-06 0.100000E-04    0.983721E+00
  91   -0.450340E-05    0.590654E+02  0.762444E-07 0.100000E-04    0.951500E+00
  92    0.612245E-04    0.560333E+02 -0.109264E-05 0.100000E-04    0.998801E+00
  93   -0.295651E-04    0.528095E+02  0.559844E-06 0.100000E-04    0.996557E+00
  94    0.463058E-04    0.522815E+02 -0.885703E-06 0.100000E-04    0.996813E+00
  95   -0.241658E-04    0.500849E+02  0.482497E-06 0.100000E-04    0.996440E+00
  96   -0.778033E-05    0.475760E+02  0.163535E-06 0.100000E-04    0.977277E+00
  97   -0.416444E-04    0.428908E+02  0.970942E-06 0.100000E-04    0.990980E+00
  98   -0.419834E-04    0.403697E+02  0.103997E-05 0.100000E-04    0.993167E+00
  99    0.121389E-03    0.373871E+02 -0.324682E-05 0.100000E-04    0.995406E+00
 100   -0.101513E-03    0.361410E+02  0.280880E-05 0.100000E-04    0.999813E+00
 101   -0.191241E-04    0.347074E+02  0.551010E-06 0.100000E-04    0.973241E+00
 102    0.985813E-04    0.288179E+02 -0.342083E-05 0.100000E-04    0.997142E+00
 103    0.156007E-04    0.286624E+02 -0.544293E-06 0.100000E-04    0.981207E+00
 104    0.827597E-04    0.275544E+02 -0.300350E-05 0.100000E-04    0.997629E+00
 105    0.565882E-04    0.229728E+02 -0.246326E-05 0.100000E-04    0.991268E+00
 106    0.139654E-04    0.214297E+02 -0.651683E-06 0.100000E-04    0.933630E+00
 107    0.113560E-03    0.203671E+02 -0.557568E-05 0.100000E-04    0.996344E+00
 108   -0.427943E-05    0.168172E+02  0.254468E-06 0.100000E-04    0.782253E+00
 109    0.727893E-04    0.137872E+02 -0.527948E-05 0.100000E-04    0.989622E+00
 110    0.582900E-02    0.122503E+02 -0.100000E-04 0.100000E-04    0.454551E+00
 111   -0.374785E-02    0.988226E+01  0.100000E-04 0.100000E-04    0.718957E+00
 112    0.617216E-02    0.898354E+01 -0.109000E-04 0.109000E-04    0.188250E+00
 113   -0.206133E-01    0.718378E+01  0.154626E-04 0.154626E-04    0.988079E-01
 114   -0.642291E+00    0.426373E+01 -0.400000E-03 0.400000E-03    0.531446E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1473691866    

 Beginning of optimization cycle  324.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3580082170
 potential> RMS force:                                               0.0603523029   |gradient|=.6443862603    
 Eigenvalues of the Hessian matrix:
   733.09380    673.53730    626.90030    604.19406    588.31758    571.24326 
   566.88333    482.80061    465.15945    461.33491    441.38472    429.71194 
   421.81256    407.92650    397.41687    388.83446    367.86613    361.79011 
   350.87606    336.27868    325.86543    321.45724    320.22413    312.78496 
   304.01251    288.53878    278.81009    270.74782    266.83586    264.18832 
   259.51446    253.90388    242.28648    238.19192    235.13787    228.53052 
   220.28729    213.72282    212.26757    207.39179    203.54412    197.54620 
   195.29203    191.53378    184.33588    175.14875    171.81484    167.54947 
   165.07298    159.06427    153.93299    151.30183    148.70289    143.25588 
   137.09560    135.79832    130.67816    128.02632    126.09648    125.57944 
   119.72918    118.06394    117.01091    111.06402    107.93883    104.77834 
   103.08325     99.78692     95.93832     94.87863     92.85059     90.47229 
    89.74289     84.97040     80.91497     79.79571     78.30063     72.77613 
    72.18405     68.28570     66.64641     63.22577     60.20491     59.72390 
    59.06597     56.03392     52.80603     52.28228     50.08362     47.57179 
    42.88971     40.37223     37.39144     36.14441     34.69554     28.81750 
    28.66121     27.54623     22.97445     21.42352     20.37183     16.81681 
    13.78760     12.25000      9.88361      8.97625      7.17773      4.25896 
overlap for current and previous eigenvector    109 is        -0.9999996393
overlap for current and previous eigenvector    110 is        -0.9999994991
overlap for current and previous eigenvector    111 is        -0.9999973572
overlap for current and previous eigenvector    112 is        -0.9999914358
overlap for current and previous eigenvector    113 is         0.9999939097
overlap for current and previous eigenvector    114 is         0.9999997182
J1,K1,R1,R2,RAT=   7   7   -0.7375199630E-02     2.007204802        0.9926248004    
FOB,PFOB,DIAG,PSTEP=   -0.4073961113E-05   -0.4044132288E-05     733.0937965        0.5516997814E-08
J1,K1,R1,R2,RAT=   8   8   -0.7371065004E-02     2.007344500        0.9926289350    
FOB,PFOB,DIAG,PSTEP=   -0.4643215304E-05   -0.4609239846E-05     673.5372965        0.6843423657E-08
J1,K1,R1,R2,RAT=   9   9   -0.5557539135         2.555714957        0.4442460865    
FOB,PFOB,DIAG,PSTEP=   -0.1041763296E-06   -0.6696149296E-07     626.9003004        0.1068157046E-09
J1,K1,R1,R2,RAT=  10  10    0.2563068724E-02     1.997461455        0.9974369313    
FOB,PFOB,DIAG,PSTEP=    0.1983302686E-05    0.1988399027E-05     604.1940634       -0.3290953630E-08
J1,K1,R1,R2,RAT=  11  11    0.1089431194E-01     1.989138998        0.9891056881    
FOB,PFOB,DIAG,PSTEP=   -0.1416317883E-05   -0.1431917378E-05     588.3175758        0.2433878553E-08
J1,K1,R1,R2,RAT= 109 109     2.007135211       -0.7190221244E-02    0.9928097788    
FOB,PFOB,DIAG,PSTEP=   -0.7331272839E-04    0.7278934251E-04     13.78760144       -0.5279478447E-05
J1,K1,R1,R2,RAT= 110 110     95.70651297       -0.5392141785        0.4607858215    
FOB,PFOB,DIAG,PSTEP=   -0.5895049095E-02    0.5828995377E-02     12.24999648       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     75.56583304        0.2738326208        0.7261673792    
FOB,PFOB,DIAG,PSTEP=    0.3720785095E-02   -0.3747849653E-02     9.883613331        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     126.8892439       -0.7223226632        0.2776773368    
FOB,PFOB,DIAG,PSTEP=   -0.6242829728E-02    0.6172156865E-02     8.976250159       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8134280373         372.2703127        0.1865719627    
FOB,PFOB,DIAG,PSTEP=   -0.2070356073E-01   -0.2061328150E-01     7.177732702        0.1546256137E-04
J1,K1,R1,R2,RAT= 114 114    0.9944895442        -755.0418133        0.5510455793E-02
FOB,PFOB,DIAG,PSTEP=   -0.6439855058       -0.6422913098         4.258958884       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
    -0.00002      0.00001     -0.00001      0.00002     -0.00000      0.00002 
     0.00003     -0.00003     -0.00002     -0.00002      0.00002      0.00002 
    -0.00001     -0.00001      0.00001      0.00003     -0.00001      0.00006 
    -0.00003     -0.00003     -0.00007      0.00001      0.00006      0.00000 
     0.00001     -0.00002      0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004      0.00000     -0.00004     -0.00000      0.00005      0.00004 
     0.00000      0.00006      0.00003      0.00005      0.00002      0.00001 
    -0.00004     -0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002      0.00008     -0.00006     -0.00001     -0.00011      0.00000 
    -0.00007     -0.00590      0.00372     -0.00624     -0.02070     -0.64399 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4266851241
 Log product of positive Hessian eigenvalues =          519.8383652755
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2589588845
 Unscaled step for mode    7=        0.0000000056
 Unscaled step for mode    8=        0.0000000069
 Unscaled step for mode    9=        0.0000000002
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000033
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000038
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000127
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000378
 Unscaled step for mode   20=       -0.0000000189
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000180
 Unscaled step for mode   23=       -0.0000000011
 Unscaled step for mode   24=        0.0000000043
 Unscaled step for mode   25=        0.0000000558
 Unscaled step for mode   26=        0.0000000957
 Unscaled step for mode   27=        0.0000000498
 Unscaled step for mode   28=       -0.0000000410
 Unscaled step for mode   29=       -0.0000000271
 Unscaled step for mode   30=        0.0000000790
 Unscaled step for mode   31=        0.0000000460
 Unscaled step for mode   32=        0.0000000209
 Unscaled step for mode   33=       -0.0000000414
 Unscaled step for mode   34=       -0.0000000368
 Unscaled step for mode   35=       -0.0000000892
 Unscaled step for mode   36=       -0.0000000639
 Unscaled step for mode   37=        0.0000000678
 Unscaled step for mode   38=        0.0000000049
 Unscaled step for mode   39=        0.0000000783
 Unscaled step for mode   40=        0.0000000391
 Unscaled step for mode   41=        0.0000001593
 Unscaled step for mode   42=        0.0000000497
 Unscaled step for mode   43=        0.0000000611
 Unscaled step for mode   44=        0.0000001118
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001124
 Unscaled step for mode   47=        0.0000001462
 Unscaled step for mode   48=       -0.0000000231
 Unscaled step for mode   49=        0.0000001227
 Unscaled step for mode   50=       -0.0000000491
 Unscaled step for mode   51=        0.0000000846
 Unscaled step for mode   52=        0.0000000175
 Unscaled step for mode   53=        0.0000000729
 Unscaled step for mode   54=        0.0000000992
 Unscaled step for mode   55=        0.0000001215
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=        0.0000000627
 Unscaled step for mode   58=       -0.0000001552
 Unscaled step for mode   59=        0.0000000046
 Unscaled step for mode   60=       -0.0000001520
 Unscaled step for mode   61=       -0.0000001913
 Unscaled step for mode   62=        0.0000002221
 Unscaled step for mode   63=        0.0000001756
 Unscaled step for mode   64=        0.0000001933
 Unscaled step for mode   65=       -0.0000001311
 Unscaled step for mode   66=       -0.0000001763
 Unscaled step for mode   67=        0.0000000560
 Unscaled step for mode   68=        0.0000000771
 Unscaled step for mode   69=       -0.0000000469
 Unscaled step for mode   70=       -0.0000002275
 Unscaled step for mode   71=        0.0000000504
 Unscaled step for mode   72=       -0.0000005347
 Unscaled step for mode   73=        0.0000002622
 Unscaled step for mode   74=        0.0000002904
 Unscaled step for mode   75=        0.0000007335
 Unscaled step for mode   76=       -0.0000000947
 Unscaled step for mode   77=       -0.0000006407
 Unscaled step for mode   78=       -0.0000000183
 Unscaled step for mode   79=       -0.0000001154
 Unscaled step for mode   80=        0.0000002535
 Unscaled step for mode   81=       -0.0000002659
 Unscaled step for mode   82=        0.0000000148
 Unscaled step for mode   83=        0.0000002011
 Unscaled step for mode   84=        0.0000005342
 Unscaled step for mode   85=        0.0000006041
 Unscaled step for mode   86=       -0.0000000281
 Unscaled step for mode   87=        0.0000006415
 Unscaled step for mode   88=        0.0000000722
 Unscaled step for mode   89=       -0.0000008604
 Unscaled step for mode   90=       -0.0000005914
 Unscaled step for mode   91=       -0.0000000780
 Unscaled step for mode   92=       -0.0000010928
 Unscaled step for mode   93=       -0.0000005556
 Unscaled step for mode   94=       -0.0000008884
 Unscaled step for mode   95=       -0.0000004801
 Unscaled step for mode   96=       -0.0000001634
 Unscaled step for mode   97=        0.0000009670
 Unscaled step for mode   98=        0.0000010417
 Unscaled step for mode   99=        0.0000032434
 Unscaled step for mode  100=       -0.0000027958
 Unscaled step for mode  101=       -0.0000005502
 Unscaled step for mode  102=       -0.0000034211
 Unscaled step for mode  103=        0.0000005628
 Unscaled step for mode  104=       -0.0000030281
 Unscaled step for mode  105=        0.0000024577
 Unscaled step for mode  106=        0.0000006381
 Unscaled step for mode  107=        0.0000055300
 Unscaled step for mode  108=       -0.0000002734
 Unscaled step for mode  109=        0.0000053173
 Unscaled step for mode  110=        0.0004812285
 Unscaled step for mode  111=       -0.0003764599
 Unscaled step for mode  112=        0.0006954827
 Unscaled step for mode  113=        0.0028843911
 Unscaled step for mode  114=       -0.1478997042
 Largest modulus ratio of non-zero e/values=           172.1298130    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.562050E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.862374E-15    0.100713E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.462521E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.827463E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.115082E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.112318E-14    0.973889E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.407396E-05    0.733094E+03  0.555722E-08 0.100000E-04    0.992625E+00
   8   -0.464322E-05    0.673537E+03  0.689378E-08 0.100000E-04    0.992629E+00
   9   -0.104176E-06    0.626900E+03  0.166177E-09 0.100000E-04    0.444246E+00
  10    0.198330E-05    0.604194E+03 -0.328256E-08 0.100000E-04    0.997437E+00
  11   -0.141632E-05    0.588318E+03  0.240740E-08 0.100000E-04    0.989106E+00
  12   -0.188712E-05    0.571243E+03  0.330353E-08 0.100000E-04    0.952071E+00
  13   -0.350200E-05    0.566883E+03  0.617764E-08 0.100000E-04    0.998384E+00
  14   -0.183182E-05    0.482801E+03  0.379416E-08 0.100000E-04    0.968700E+00
  15    0.181712E-05    0.465159E+03 -0.390644E-08 0.100000E-04    0.992243E+00
  16    0.586898E-05    0.461335E+03 -0.127217E-07 0.100000E-04    0.997626E+00
  17    0.436119E-05    0.441385E+03 -0.988070E-08 0.100000E-04    0.995092E+00
  18    0.499403E-05    0.429712E+03 -0.116218E-07 0.100000E-04    0.993376E+00
  19   -0.159617E-04    0.421813E+03  0.378406E-07 0.100000E-04    0.998495E+00
  20    0.769270E-05    0.407927E+03 -0.188580E-07 0.100000E-04    0.992765E+00
  21    0.716354E-05    0.397417E+03 -0.180252E-07 0.100000E-04    0.995564E+00
  22   -0.700491E-05    0.388834E+03  0.180151E-07 0.100000E-04    0.990281E+00
  23    0.395454E-06    0.367866E+03 -0.107499E-08 0.100000E-04    0.838381E+00
  24   -0.155385E-05    0.361790E+03  0.429489E-08 0.100000E-04    0.958837E+00
  25   -0.195870E-04    0.350876E+03  0.558233E-07 0.100000E-04    0.998731E+00
  26   -0.321964E-04    0.336279E+03  0.957433E-07 0.100000E-04    0.998107E+00
  27   -0.162252E-04    0.325865E+03  0.497911E-07 0.100000E-04    0.998756E+00
  28    0.131850E-04    0.321457E+03 -0.410164E-07 0.100000E-04    0.994661E+00
  29    0.867235E-05    0.320224E+03 -0.270821E-07 0.100000E-04    0.981666E+00
  30   -0.247164E-04    0.312785E+03  0.790203E-07 0.100000E-04    0.997810E+00
  31   -0.139718E-04    0.304013E+03  0.459579E-07 0.100000E-04    0.992729E+00
  32   -0.602364E-05    0.288539E+03  0.208764E-07 0.100000E-04    0.988557E+00
  33    0.115429E-04    0.278810E+03 -0.414005E-07 0.100000E-04    0.996798E+00
  34    0.995200E-05    0.270748E+03 -0.367574E-07 0.100000E-04    0.993138E+00
  35    0.237956E-04    0.266836E+03 -0.891769E-07 0.100000E-04    0.998037E+00
  36    0.168821E-04    0.264188E+03 -0.639016E-07 0.100000E-04    0.992593E+00
  37   -0.175949E-04    0.259514E+03  0.677993E-07 0.100000E-04    0.997469E+00
  38   -0.123776E-05    0.253904E+03  0.487493E-08 0.100000E-04    0.957518E+00
  39   -0.189715E-04    0.242286E+03  0.783021E-07 0.100000E-04    0.998659E+00
  40   -0.931876E-05    0.238192E+03  0.391229E-07 0.100000E-04    0.974065E+00
  41   -0.374666E-04    0.235138E+03  0.159339E-06 0.100000E-04    0.995259E+00
  42   -0.113640E-04    0.228531E+03  0.497264E-07 0.100000E-04    0.989021E+00
  43   -0.134552E-04    0.220287E+03  0.610801E-07 0.100000E-04    0.992419E+00
  44   -0.238991E-04    0.213723E+03  0.111823E-06 0.100000E-04    0.991548E+00
  45    0.805890E-06    0.212268E+03 -0.379658E-08 0.100000E-04    0.975279E+00
  46    0.233027E-04    0.207392E+03 -0.112361E-06 0.100000E-04    0.994361E+00
  47   -0.297666E-04    0.203544E+03  0.146242E-06 0.100000E-04    0.997945E+00
  48    0.456108E-05    0.197546E+03 -0.230887E-07 0.100000E-04    0.997989E+00
  49   -0.239653E-04    0.195292E+03  0.122715E-06 0.100000E-04    0.995534E+00
  50    0.941072E-05    0.191534E+03 -0.491335E-07 0.100000E-04    0.991711E+00
  51   -0.155916E-04    0.184336E+03  0.845823E-07 0.100000E-04    0.997441E+00
  52   -0.305671E-05    0.175149E+03  0.174521E-07 0.100000E-04    0.988954E+00
  53   -0.125239E-04    0.171815E+03  0.728918E-07 0.100000E-04    0.999681E+00
  54   -0.166234E-04    0.167549E+03  0.992148E-07 0.100000E-04    0.995601E+00
  55   -0.200550E-04    0.165073E+03  0.121492E-06 0.100000E-04    0.998143E+00
  56    0.592426E-05    0.159064E+03 -0.372445E-07 0.100000E-04    0.990408E+00
  57   -0.964482E-05    0.153933E+03  0.626560E-07 0.100000E-04    0.999348E+00
  58    0.234872E-04    0.151302E+03 -0.155234E-06 0.100000E-04    0.997626E+00
  59   -0.687361E-06    0.148703E+03  0.462238E-08 0.100000E-04    0.861939E+00
  60    0.217711E-04    0.143256E+03 -0.151974E-06 0.100000E-04    0.999088E+00
  61    0.262320E-04    0.137096E+03 -0.191341E-06 0.100000E-04    0.997814E+00
  62   -0.301542E-04    0.135798E+03  0.222051E-06 0.100000E-04    0.998327E+00
  63   -0.229463E-04    0.130678E+03  0.175594E-06 0.100000E-04    0.997340E+00
  64   -0.247438E-04    0.128026E+03  0.193271E-06 0.100000E-04    0.994475E+00
  65    0.165328E-04    0.126096E+03 -0.131112E-06 0.100000E-04    0.992013E+00
  66    0.221425E-04    0.125579E+03 -0.176323E-06 0.100000E-04    0.994302E+00
  67   -0.670458E-05    0.119729E+03  0.559978E-07 0.100000E-04    0.980867E+00
  68   -0.910060E-05    0.118064E+03  0.770820E-07 0.100000E-04    0.997909E+00
  69    0.548706E-05    0.117011E+03 -0.468936E-07 0.100000E-04    0.999539E+00
  70    0.252707E-04    0.111064E+03 -0.227533E-06 0.100000E-04    0.994379E+00
  71   -0.543694E-05    0.107939E+03  0.503706E-07 0.100000E-04    0.989431E+00
  72    0.560222E-04    0.104778E+03 -0.534673E-06 0.100000E-04    0.995909E+00
  73   -0.270234E-04    0.103083E+03  0.262151E-06 0.100000E-04    0.998490E+00
  74   -0.289741E-04    0.997869E+02  0.290360E-06 0.100000E-04    0.997784E+00
  75   -0.703742E-04    0.959383E+02  0.733536E-06 0.100000E-04    0.995885E+00
  76    0.898166E-05    0.948786E+02 -0.946647E-07 0.100000E-04    0.943632E+00
  77    0.594886E-04    0.928506E+02 -0.640692E-06 0.100000E-04    0.996312E+00
  78    0.165892E-05    0.904723E+02 -0.183362E-07 0.100000E-04    0.963940E+00
  79    0.103537E-04    0.897429E+02 -0.115370E-06 0.100000E-04    0.993733E+00
  80   -0.215375E-04    0.849704E+02  0.253471E-06 0.100000E-04    0.999608E+00
  81    0.215143E-04    0.809150E+02 -0.265887E-06 0.100000E-04    0.996227E+00
  82   -0.118351E-05    0.797957E+02  0.148317E-07 0.100000E-04    0.804853E+00
  83   -0.157457E-04    0.783006E+02  0.201092E-06 0.100000E-04    0.998495E+00
  84   -0.388790E-04    0.727761E+02  0.534227E-06 0.100000E-04    0.997367E+00
  85   -0.436069E-04    0.721840E+02  0.604107E-06 0.100000E-04    0.996982E+00
  86    0.191603E-05    0.682857E+02 -0.280590E-07 0.100000E-04    0.893036E+00
  87   -0.427546E-04    0.666464E+02  0.641513E-06 0.100000E-04    0.998233E+00
  88   -0.456566E-05    0.632258E+02  0.722121E-07 0.100000E-04    0.959707E+00
  89    0.517989E-04    0.602049E+02 -0.860376E-06 0.100000E-04    0.996041E+00
  90    0.353213E-04    0.597239E+02 -0.591409E-06 0.100000E-04    0.993118E+00
  91    0.460748E-05    0.590660E+02 -0.780057E-07 0.100000E-04    0.976889E+00
  92    0.612338E-04    0.560339E+02 -0.109280E-05 0.100000E-04    0.999847E+00
  93    0.293412E-04    0.528060E+02 -0.555642E-06 0.100000E-04    0.992429E+00
  94    0.464476E-04    0.522823E+02 -0.888400E-06 0.100000E-04    0.996939E+00
  95    0.240433E-04    0.500836E+02 -0.480062E-06 0.100000E-04    0.994928E+00
  96    0.777491E-05    0.475718E+02 -0.163435E-06 0.100000E-04    0.999304E+00
  97   -0.414734E-04    0.428897E+02  0.966978E-06 0.100000E-04    0.995892E+00
  98   -0.420554E-04    0.403722E+02  0.104169E-05 0.100000E-04    0.998287E+00
  99   -0.121277E-03    0.373914E+02  0.324345E-05 0.100000E-04    0.998847E+00
 100    0.101054E-03    0.361444E+02 -0.279585E-05 0.100000E-04    0.995293E+00
 101    0.190891E-04    0.346955E+02 -0.550188E-06 0.100000E-04    0.998169E+00
 102    0.985882E-04    0.288175E+02 -0.342112E-05 0.100000E-04    0.999930E+00
 103   -0.161295E-04    0.286612E+02  0.562764E-06 0.100000E-04    0.966107E+00
 104    0.834141E-04    0.275462E+02 -0.302815E-05 0.100000E-04    0.992091E+00
 105   -0.564652E-04    0.229745E+02  0.245774E-05 0.100000E-04    0.997686E+00
 106   -0.136704E-04    0.214235E+02  0.638101E-06 0.100000E-04    0.978870E+00
 107   -0.112656E-03    0.203718E+02  0.552998E-05 0.100000E-04    0.991572E+00
 108    0.459851E-05    0.168168E+02 -0.273447E-06 0.100000E-04    0.925437E+00
 109   -0.733127E-04    0.137876E+02  0.531729E-05 0.100000E-04    0.992810E+00
 110   -0.589505E-02    0.122500E+02  0.100000E-04 0.100000E-04    0.460786E+00
 111    0.372079E-02    0.988361E+01 -0.100000E-04 0.100000E-04    0.726167E+00
 112   -0.624283E-02    0.897625E+01  0.100000E-04 0.100000E-04    0.277677E+00
 113   -0.207036E-01    0.717773E+01  0.168542E-04 0.168542E-04    0.186572E+00
 114   -0.643986E+00    0.425896E+01 -0.400000E-03 0.400000E-03    0.551046E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1478997042    

 Beginning of optimization cycle  325.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3577507888
 potential> RMS force:                                               0.0605110541   |gradient|=.6460812596    
 Eigenvalues of the Hessian matrix:
   733.15631    673.54608    626.91246    604.18676    588.30766    571.28638 
   566.88940    482.82583    465.13615    461.32807    441.38607    429.70443 
   421.81688    407.93443    397.41182    388.83355    367.87331    361.78133 
   350.86885    336.25908    325.87785    321.45567    320.22929    312.76037 
   304.00093    288.54766    278.80495    270.75044    266.84478    264.19583 
   259.52862    253.90554    242.28225    238.20361    235.12558    228.52685 
   220.26656    213.73067    212.27358    207.38586    203.54567    197.53972 
   195.28883    191.53245    184.32582    175.13757    171.82061    167.54973 
   165.06614    159.05395    153.93804    151.30717    148.69502    143.25820 
   137.09801    135.80144    130.67647    128.03079    126.09858    125.57785 
   119.73101    118.06484    117.01248    111.05805    107.93020    104.77531 
   103.08386     99.78550     95.93244     94.87136     92.86319     90.47591 
    89.73883     84.97329     80.91482     79.79812     78.29938     72.77764 
    72.18869     68.28522     66.63375     63.22252     60.19627     59.72428 
    59.06649     56.03448     52.80253     52.28308     50.08238     47.56748 
    42.88866     40.37473     37.39573     36.14766     34.68367     28.81705 
    28.66001     27.53807     22.97611     21.41731     20.37652     16.81642 
    13.78798     12.24969      9.88499      8.96898      7.17162      4.25418 
overlap for current and previous eigenvector    109 is         0.9999996388
overlap for current and previous eigenvector    110 is         0.9999994996
overlap for current and previous eigenvector    111 is        -0.9999974412
overlap for current and previous eigenvector    112 is        -0.9999914937
overlap for current and previous eigenvector    113 is        -0.9999938817
overlap for current and previous eigenvector    114 is        -0.9999997184
J1,K1,R1,R2,RAT=   7   7   -0.6467772641E-02     2.006297242        0.9935322274    
FOB,PFOB,DIAG,PSTEP=   -0.4100312814E-05   -0.4073961113E-05     733.1563092        0.5557216733E-08
J1,K1,R1,R2,RAT=   8   8   -0.8521610051E-02     2.008495526        0.9914783899    
FOB,PFOB,DIAG,PSTEP=   -0.4682783490E-05   -0.4643215304E-05     673.5460810        0.6893776080E-08
J1,K1,R1,R2,RAT=   9   9   -0.3476741875E-01     2.034728615        0.9652325813    
FOB,PFOB,DIAG,PSTEP=   -0.1077983420E-06   -0.1041763296E-06     626.9124635        0.1661768698E-09
J1,K1,R1,R2,RAT=  10  10    0.7835014232E-02     1.992189145        0.9921649858    
FOB,PFOB,DIAG,PSTEP=    0.1967763669E-05    0.1983302686E-05     604.1867649       -0.3282559043E-08
J1,K1,R1,R2,RAT=  11  11   -0.6314913907E-02     2.006348638        0.9936850861    
FOB,PFOB,DIAG,PSTEP=   -0.1425261658E-05   -0.1416317883E-05     588.3076558        0.2407403657E-08
J1,K1,R1,R2,RAT= 109 109    0.4478651572E-02     1.995466395        0.9954663952    
FOB,PFOB,DIAG,PSTEP=   -0.7298437720E-04   -0.7331272839E-04     13.78798029        0.5317293851E-05
J1,K1,R1,R2,RAT= 110 110   -0.5334037455         96.78156752        0.4665962545    
FOB,PFOB,DIAG,PSTEP=   -0.5960389381E-02   -0.5895049095E-02     12.24968636        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     75.00260102        0.2789385120        0.7210614880    
FOB,PFOB,DIAG,PSTEP=   -0.3693212061E-02    0.3720785095E-02     9.884986727       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     140.0945534       -0.8851912763        0.1148087237    
FOB,PFOB,DIAG,PSTEP=    0.6322222354E-02   -0.6242829728E-02     8.968979716        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     343.2542904       -0.6840136709        0.3159863291    
FOB,PFOB,DIAG,PSTEP=    0.2078623876E-01   -0.2070356073E-01     7.171622605        0.1685419190E-04
J1,K1,R1,R2,RAT= 114 114    -757.8807679        0.9944234676        0.5576532388E-02
FOB,PFOB,DIAG,PSTEP=    0.6456776867       -0.6439855058         4.254175747       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
    -0.00002     -0.00001      0.00001      0.00002     -0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00002      0.00002      0.00002 
     0.00001      0.00001      0.00001      0.00003     -0.00001      0.00006 
     0.00003      0.00003      0.00007      0.00001      0.00006     -0.00000 
    -0.00001      0.00002      0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004     -0.00000      0.00004      0.00000     -0.00005     -0.00004 
     0.00000      0.00006      0.00003      0.00005      0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00008      0.00006     -0.00001     -0.00011     -0.00000 
    -0.00007     -0.00596     -0.00369      0.00632      0.02079      0.64568 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4265424578
 Log product of positive Hessian eigenvalues =          519.8346341359
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2541757465
 Unscaled step for mode    7=        0.0000000056
 Unscaled step for mode    8=        0.0000000070
 Unscaled step for mode    9=        0.0000000002
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000034
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000037
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000127
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000379
 Unscaled step for mode   20=       -0.0000000188
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000181
 Unscaled step for mode   23=       -0.0000000011
 Unscaled step for mode   24=        0.0000000043
 Unscaled step for mode   25=        0.0000000560
 Unscaled step for mode   26=        0.0000000959
 Unscaled step for mode   27=        0.0000000499
 Unscaled step for mode   28=       -0.0000000412
 Unscaled step for mode   29=       -0.0000000275
 Unscaled step for mode   30=        0.0000000792
 Unscaled step for mode   31=        0.0000000463
 Unscaled step for mode   32=        0.0000000209
 Unscaled step for mode   33=       -0.0000000414
 Unscaled step for mode   34=       -0.0000000369
 Unscaled step for mode   35=       -0.0000000893
 Unscaled step for mode   36=       -0.0000000642
 Unscaled step for mode   37=        0.0000000680
 Unscaled step for mode   38=        0.0000000047
 Unscaled step for mode   39=        0.0000000784
 Unscaled step for mode   40=        0.0000000399
 Unscaled step for mode   41=        0.0000001599
 Unscaled step for mode   42=        0.0000000500
 Unscaled step for mode   43=        0.0000000616
 Unscaled step for mode   44=        0.0000001125
 Unscaled step for mode   45=       -0.0000000035
 Unscaled step for mode   46=       -0.0000001129
 Unscaled step for mode   47=        0.0000001464
 Unscaled step for mode   48=       -0.0000000233
 Unscaled step for mode   49=        0.0000001233
 Unscaled step for mode   50=       -0.0000000487
 Unscaled step for mode   51=        0.0000000850
 Unscaled step for mode   52=        0.0000000177
 Unscaled step for mode   53=       -0.0000000731
 Unscaled step for mode   54=       -0.0000000999
 Unscaled step for mode   55=        0.0000001217
 Unscaled step for mode   56=        0.0000000369
 Unscaled step for mode   57=       -0.0000000631
 Unscaled step for mode   58=       -0.0000001556
 Unscaled step for mode   59=        0.0000000047
 Unscaled step for mode   60=       -0.0000001526
 Unscaled step for mode   61=        0.0000001919
 Unscaled step for mode   62=       -0.0000002215
 Unscaled step for mode   63=        0.0000001751
 Unscaled step for mode   64=        0.0000001945
 Unscaled step for mode   65=       -0.0000001326
 Unscaled step for mode   66=       -0.0000001749
 Unscaled step for mode   67=       -0.0000000567
 Unscaled step for mode   68=       -0.0000000772
 Unscaled step for mode   69=       -0.0000000469
 Unscaled step for mode   70=       -0.0000002288
 Unscaled step for mode   71=        0.0000000505
 Unscaled step for mode   72=       -0.0000005359
 Unscaled step for mode   73=       -0.0000002630
 Unscaled step for mode   74=       -0.0000002895
 Unscaled step for mode   75=       -0.0000007371
 Unscaled step for mode   76=       -0.0000000894
 Unscaled step for mode   77=       -0.0000006395
 Unscaled step for mode   78=        0.0000000208
 Unscaled step for mode   79=        0.0000001138
 Unscaled step for mode   80=       -0.0000002544
 Unscaled step for mode   81=       -0.0000002664
 Unscaled step for mode   82=        0.0000000174
 Unscaled step for mode   83=        0.0000002026
 Unscaled step for mode   84=        0.0000005353
 Unscaled step for mode   85=        0.0000006026
 Unscaled step for mode   86=        0.0000000315
 Unscaled step for mode   87=       -0.0000006425
 Unscaled step for mode   88=       -0.0000000729
 Unscaled step for mode   89=        0.0000008588
 Unscaled step for mode   90=        0.0000005957
 Unscaled step for mode   91=       -0.0000000800
 Unscaled step for mode   92=       -0.0000010957
 Unscaled step for mode   93=       -0.0000005504
 Unscaled step for mode   94=       -0.0000008893
 Unscaled step for mode   95=       -0.0000004746
 Unscaled step for mode   96=        0.0000001631
 Unscaled step for mode   97=       -0.0000009651
 Unscaled step for mode   98=       -0.0000010453
 Unscaled step for mode   99=        0.0000032420
 Unscaled step for mode  100=       -0.0000027914
 Unscaled step for mode  101=       -0.0000005490
 Unscaled step for mode  102=       -0.0000034194
 Unscaled step for mode  103=        0.0000005770
 Unscaled step for mode  104=        0.0000030259
 Unscaled step for mode  105=       -0.0000024681
 Unscaled step for mode  106=        0.0000006094
 Unscaled step for mode  107=        0.0000055407
 Unscaled step for mode  108=        0.0000002676
 Unscaled step for mode  109=        0.0000052933
 Unscaled step for mode  110=        0.0004865747
 Unscaled step for mode  111=        0.0003736183
 Unscaled step for mode  112=       -0.0007048984
 Unscaled step for mode  113=       -0.0028983767
 Unscaled step for mode  114=        0.1484311596
 Largest modulus ratio of non-zero e/values=           172.3380398    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.152005E-15    0.101898E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.572350E-15    0.100713E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.394650E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.170350E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.255803E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.239609E-15    0.973890E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.410031E-05    0.733156E+03  0.559269E-08 0.100000E-04    0.993532E+00
   8   -0.468278E-05    0.673546E+03  0.695243E-08 0.100000E-04    0.991478E+00
   9   -0.107798E-06    0.626912E+03  0.171951E-09 0.100000E-04    0.965233E+00
  10    0.196776E-05    0.604187E+03 -0.325688E-08 0.100000E-04    0.992165E+00
  11   -0.142526E-05    0.588308E+03  0.242265E-08 0.100000E-04    0.993685E+00
  12   -0.193514E-05    0.571286E+03  0.338733E-08 0.100000E-04    0.974558E+00
  13   -0.353044E-05    0.566889E+03  0.622773E-08 0.100000E-04    0.991880E+00
  14   -0.178253E-05    0.482826E+03  0.369187E-08 0.100000E-04    0.972987E+00
  15    0.184056E-05    0.465136E+03 -0.395704E-08 0.100000E-04    0.987098E+00
  16    0.588171E-05    0.461328E+03 -0.127495E-07 0.100000E-04    0.997831E+00
  17    0.435953E-05    0.441386E+03 -0.987691E-08 0.100000E-04    0.999613E+00
  18    0.501175E-05    0.429704E+03 -0.116633E-07 0.100000E-04    0.996450E+00
  19   -0.159925E-04    0.421817E+03  0.379134E-07 0.100000E-04    0.998066E+00
  20    0.766525E-05    0.407934E+03 -0.187904E-07 0.100000E-04    0.996394E+00
  21    0.715091E-05    0.397412E+03 -0.179937E-07 0.100000E-04    0.998237E+00
  22   -0.702870E-05    0.388834E+03  0.180764E-07 0.100000E-04    0.996604E+00
  23    0.415743E-06    0.367873E+03 -0.113012E-08 0.100000E-04    0.948695E+00
  24   -0.157371E-05    0.361781E+03  0.434990E-08 0.100000E-04    0.987216E+00
  25   -0.196463E-04    0.350869E+03  0.559934E-07 0.100000E-04    0.996973E+00
  26   -0.322416E-04    0.336259E+03  0.958833E-07 0.100000E-04    0.998596E+00
  27   -0.162665E-04    0.325878E+03  0.499160E-07 0.100000E-04    0.997453E+00
  28    0.132564E-04    0.321456E+03 -0.412387E-07 0.100000E-04    0.994585E+00
  29    0.879555E-05    0.320229E+03 -0.274664E-07 0.100000E-04    0.985795E+00
  30   -0.247664E-04    0.312760E+03  0.791864E-07 0.100000E-04    0.997977E+00
  31   -0.140805E-04    0.304001E+03  0.463173E-07 0.100000E-04    0.992218E+00
  32   -0.604067E-05    0.288548E+03  0.209347E-07 0.100000E-04    0.997173E+00
  33    0.115456E-04    0.278805E+03 -0.414111E-07 0.100000E-04    0.999762E+00
  34    0.999167E-05    0.270750E+03 -0.369036E-07 0.100000E-04    0.996014E+00
  35    0.238331E-04    0.266845E+03 -0.893145E-07 0.100000E-04    0.998424E+00
  36    0.169586E-04    0.264196E+03 -0.641897E-07 0.100000E-04    0.995463E+00
  37   -0.176527E-04    0.259529E+03  0.680182E-07 0.100000E-04    0.996717E+00
  38   -0.120483E-05    0.253906E+03  0.474518E-08 0.100000E-04    0.973379E+00
  39   -0.189961E-04    0.242282E+03  0.784047E-07 0.100000E-04    0.998707E+00
  40   -0.949343E-05    0.238204E+03  0.398543E-07 0.100000E-04    0.981256E+00
  41   -0.375865E-04    0.235126E+03  0.159857E-06 0.100000E-04    0.996798E+00
  42   -0.114320E-04    0.228527E+03  0.500249E-07 0.100000E-04    0.994014E+00
  43   -0.135627E-04    0.220267E+03  0.615739E-07 0.100000E-04    0.992010E+00
  44   -0.240455E-04    0.213731E+03  0.112504E-06 0.100000E-04    0.993875E+00
  45    0.744212E-06    0.212274E+03 -0.350591E-08 0.100000E-04    0.923411E+00
  46    0.234187E-04    0.207386E+03 -0.112924E-06 0.100000E-04    0.995021E+00
  47   -0.297962E-04    0.203546E+03  0.146386E-06 0.100000E-04    0.999007E+00
  48    0.459452E-05    0.197540E+03 -0.232587E-07 0.100000E-04    0.992668E+00
  49   -0.240823E-04    0.195289E+03  0.123316E-06 0.100000E-04    0.995119E+00
  50    0.932454E-05    0.191532E+03 -0.486839E-07 0.100000E-04    0.990843E+00
  51   -0.156749E-04    0.184326E+03  0.850390E-07 0.100000E-04    0.994655E+00
  52   -0.310254E-05    0.175138E+03  0.177149E-07 0.100000E-04    0.985004E+00
  53    0.125651E-04    0.171821E+03 -0.731291E-07 0.100000E-04    0.996711E+00
  54    0.167387E-04    0.167550E+03 -0.999029E-07 0.100000E-04    0.993063E+00
  55   -0.200826E-04    0.165066E+03  0.121664E-06 0.100000E-04    0.998624E+00
  56   -0.587599E-05    0.159054E+03  0.369434E-07 0.100000E-04    0.991851E+00
  57    0.971279E-05    0.153938E+03 -0.630954E-07 0.100000E-04    0.992954E+00
  58    0.235405E-04    0.151307E+03 -0.155581E-06 0.100000E-04    0.997731E+00
  59   -0.706096E-06    0.148695E+03  0.474862E-08 0.100000E-04    0.972743E+00
  60    0.218616E-04    0.143258E+03 -0.152603E-06 0.100000E-04    0.995847E+00
  61   -0.263082E-04    0.137098E+03  0.191893E-06 0.100000E-04    0.997098E+00
  62    0.300866E-04    0.135801E+03 -0.221549E-06 0.100000E-04    0.997714E+00
  63   -0.228751E-04    0.130676E+03  0.175051E-06 0.100000E-04    0.996899E+00
  64   -0.249028E-04    0.128031E+03  0.194506E-06 0.100000E-04    0.993572E+00
  65    0.167176E-04    0.126099E+03 -0.132576E-06 0.100000E-04    0.988820E+00
  66    0.219683E-04    0.125578E+03 -0.174937E-06 0.100000E-04    0.992130E+00
  67    0.678438E-05    0.119731E+03 -0.566636E-07 0.100000E-04    0.988096E+00
  68    0.911244E-05    0.118065E+03 -0.771817E-07 0.100000E-04    0.998699E+00
  69    0.549276E-05    0.117012E+03 -0.469416E-07 0.100000E-04    0.998963E+00
  70    0.254126E-04    0.111058E+03 -0.228822E-06 0.100000E-04    0.994388E+00
  71   -0.545487E-05    0.107930E+03  0.505407E-07 0.100000E-04    0.996702E+00
  72    0.561494E-04    0.104775E+03 -0.535903E-06 0.100000E-04    0.997729E+00
  73    0.271095E-04    0.103084E+03 -0.262985E-06 0.100000E-04    0.996815E+00
  74    0.288900E-04    0.997855E+02 -0.289521E-06 0.100000E-04    0.997097E+00
  75    0.707077E-04    0.959324E+02 -0.737057E-06 0.100000E-04    0.995262E+00
  76    0.848569E-05    0.948714E+02 -0.894441E-07 0.100000E-04    0.944775E+00
  77    0.593838E-04    0.928632E+02 -0.639476E-06 0.100000E-04    0.997967E+00
  78   -0.187777E-05    0.904759E+02  0.207544E-07 0.100000E-04    0.868080E+00
  79   -0.102142E-04    0.897388E+02  0.113822E-06 0.100000E-04    0.986534E+00
  80    0.216136E-04    0.849733E+02 -0.254358E-06 0.100000E-04    0.996467E+00
  81    0.215540E-04    0.809148E+02 -0.266379E-06 0.100000E-04    0.998153E+00
  82   -0.138540E-05    0.797981E+02  0.173613E-07 0.100000E-04    0.829415E+00
  83   -0.158652E-04    0.782994E+02  0.202623E-06 0.100000E-04    0.992406E+00
  84   -0.389605E-04    0.727776E+02  0.535337E-06 0.100000E-04    0.997903E+00
  85   -0.434983E-04    0.721887E+02  0.602564E-06 0.100000E-04    0.997381E+00
  86   -0.214790E-05    0.682852E+02  0.314548E-07 0.100000E-04    0.878981E+00
  87    0.428149E-04    0.666338E+02 -0.642541E-06 0.100000E-04    0.998587E+00
  88    0.461086E-05    0.632225E+02 -0.729307E-07 0.100000E-04    0.990100E+00
  89   -0.516975E-04    0.601963E+02  0.858816E-06 0.100000E-04    0.998043E+00
  90   -0.355791E-04    0.597243E+02  0.595723E-06 0.100000E-04    0.992700E+00
  91    0.472503E-05    0.590665E+02 -0.799950E-07 0.100000E-04    0.974489E+00
  92    0.613948E-04    0.560345E+02 -0.109566E-05 0.100000E-04    0.997371E+00
  93    0.290641E-04    0.528025E+02 -0.550430E-06 0.100000E-04    0.990554E+00
  94    0.464936E-04    0.522831E+02 -0.889267E-06 0.100000E-04    0.999008E+00
  95    0.237696E-04    0.500824E+02 -0.474610E-06 0.100000E-04    0.988617E+00
  96   -0.775708E-05    0.475675E+02  0.163075E-06 0.100000E-04    0.997705E+00
  97    0.413909E-04    0.428887E+02 -0.965078E-06 0.100000E-04    0.998011E+00
  98    0.422051E-04    0.403747E+02 -0.104533E-05 0.100000E-04    0.996440E+00
  99   -0.121236E-03    0.373957E+02  0.324199E-05 0.100000E-04    0.999435E+00
 100    0.100903E-03    0.361477E+02 -0.279141E-05 0.100000E-04    0.998321E+00
 101    0.190409E-04    0.346837E+02 -0.548987E-06 0.100000E-04    0.997473E+00
 102    0.985378E-04    0.288170E+02 -0.341943E-05 0.100000E-04    0.999488E+00
 103   -0.165369E-04    0.286600E+02  0.577004E-06 0.100000E-04    0.974737E+00
 104   -0.833284E-04    0.275381E+02  0.302594E-05 0.100000E-04    0.998973E+00
 105    0.567077E-04    0.229761E+02 -0.246811E-05 0.100000E-04    0.995706E+00
 106   -0.130519E-04    0.214173E+02  0.609409E-06 0.100000E-04    0.954744E+00
 107   -0.112900E-03    0.203765E+02  0.554069E-05 0.100000E-04    0.997834E+00
 108   -0.450084E-05    0.168164E+02  0.267646E-06 0.100000E-04    0.978760E+00
 109   -0.729844E-04    0.137880E+02  0.529333E-05 0.100000E-04    0.995466E+00
 110   -0.596039E-02    0.122497E+02  0.100000E-04 0.100000E-04    0.466596E+00
 111   -0.369321E-02    0.988499E+01  0.100000E-04 0.100000E-04    0.721061E+00
 112    0.632222E-02    0.896898E+01 -0.109000E-04 0.109000E-04    0.114809E+00
 113    0.207862E-01    0.717162E+01 -0.151840E-04 0.151840E-04    0.315986E+00
 114    0.645678E+00    0.425418E+01  0.400000E-03 0.400000E-03    0.557653E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1484311596    

 Beginning of optimization cycle  326.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3574926576
 potential> RMS force:                                               0.0606696528   |gradient|=.6477746301    
 Eigenvalues of the Hessian matrix:
   733.21883    673.55502    626.92466    604.17916    588.29787    571.32933 
   566.89546    482.85114    465.11285    461.32121    441.38743    429.69680 
   421.82109    407.94230    397.40676    388.83256    367.88050    361.77256 
   350.86150    336.23955    325.89029    321.45410    320.23427    312.73585 
   303.98922    288.55653    278.79980    270.75308    266.85363    264.20325 
   259.54264    253.90711    242.27791    238.21529    235.11321    228.52308 
   220.24584    213.73845    212.27957    207.38000    203.54715    197.53319 
   195.28558    191.53113    184.31573    175.12642    171.82637    167.55000 
   165.05927    159.04365    153.94306    151.31255    148.68717    143.26055 
   137.10043    135.80450    130.67484    128.03523    126.10074    125.57621 
   119.73285    118.06575    117.01408    111.05210    107.92166    104.77234 
   103.08446     99.78411     95.92669     94.86395     92.87575     90.47953 
    89.73472     84.97618     80.91466     79.80048     78.29815     72.77921 
    72.19339     68.28482     66.62112     63.21923     60.18777     59.72463 
    59.06704     56.03507     52.79909     52.28390     50.08116     47.56320 
    42.88764     40.37725     37.40005     36.15102     34.67185     28.81661 
    28.65881     27.52993     22.97776     21.41108     20.38124     16.81604 
    13.78837     12.24938      9.88636      8.96178      7.16548      4.24938 
overlap for current and previous eigenvector    109 is         0.9999996440
overlap for current and previous eigenvector    110 is         0.9999995037
overlap for current and previous eigenvector    111 is         0.9999975799
overlap for current and previous eigenvector    112 is         0.9999916662
overlap for current and previous eigenvector    113 is         0.9999939151
overlap for current and previous eigenvector    114 is         0.9999997199
J1,K1,R1,R2,RAT=   7   7   -0.7977370385E-02     2.007806838        0.9920226296    
FOB,PFOB,DIAG,PSTEP=   -0.4133025317E-05   -0.4100312814E-05     733.2188282        0.5592685710E-08
J1,K1,R1,R2,RAT=   8   8    0.9725978758E-03     1.999000847        0.9990008471    
FOB,PFOB,DIAG,PSTEP=   -0.4678228964E-05   -0.4682783490E-05     673.5550241        0.6952432242E-08
J1,K1,R1,R2,RAT=   9   9   -0.1383682217         2.138329305        0.8616317783    
FOB,PFOB,DIAG,PSTEP=   -0.1227144971E-06   -0.1077983420E-06     626.9246625        0.1719511865E-09
J1,K1,R1,R2,RAT=  10  10   -0.1654588611E-01     2.016571045        0.9834541139    
FOB,PFOB,DIAG,PSTEP=    0.2000321653E-05    0.1967763669E-05     604.1791648       -0.3256879799E-08
J1,K1,R1,R2,RAT=  11  11   -0.2527965244E-02     2.002561234        0.9974720348    
FOB,PFOB,DIAG,PSTEP=   -0.1428864610E-05   -0.1425261658E-05     588.2978697        0.2422646797E-08
J1,K1,R1,R2,RAT= 109 109   -0.1171732455E-02     2.001115891        0.9988282675    
FOB,PFOB,DIAG,PSTEP=   -0.7306989775E-04   -0.7298437720E-04     13.78836527        0.5293333443E-05
J1,K1,R1,R2,RAT= 110 110   -0.5440914800         97.86150879        0.4559085200    
FOB,PFOB,DIAG,PSTEP=   -0.6027037205E-02   -0.5960389381E-02     12.24937847        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2771526965         74.43613692        0.7228473035    
FOB,PFOB,DIAG,PSTEP=   -0.3665811750E-02   -0.3693212061E-02     9.886359119        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7206286874         130.1637542        0.2793713126    
FOB,PFOB,DIAG,PSTEP=    0.6392615815E-02    0.6322222354E-02     8.961779888       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8573983294         382.9561585        0.1426016706    
FOB,PFOB,DIAG,PSTEP=    0.2087952400E-01    0.2078623876E-01     7.165480577       -0.1518395666E-04
J1,K1,R1,R2,RAT= 114 114    0.9944226618        -760.7263768        0.5577338173E-02
FOB,PFOB,DIAG,PSTEP=    0.6473679579        0.6456776867         4.249378239        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
    -0.00002     -0.00001      0.00001      0.00002     -0.00000      0.00002 
    -0.00003     -0.00003      0.00002      0.00003     -0.00002     -0.00002 
     0.00001      0.00001      0.00001      0.00003     -0.00001      0.00006 
    -0.00003     -0.00003      0.00007      0.00001     -0.00006     -0.00000 
    -0.00001      0.00002      0.00002     -0.00000     -0.00002     -0.00004 
     0.00004      0.00000     -0.00004     -0.00000     -0.00005     -0.00004 
     0.00000      0.00006      0.00003      0.00005      0.00002      0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00008      0.00006     -0.00001     -0.00011     -0.00000 
    -0.00007     -0.00603     -0.00367      0.00639      0.02088      0.64737 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4263940086
 Log product of positive Hessian eigenvalues =          519.8309115599
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2493782392
 Unscaled step for mode    7=        0.0000000056
 Unscaled step for mode    8=        0.0000000069
 Unscaled step for mode    9=        0.0000000002
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000034
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000036
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000128
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000380
 Unscaled step for mode   20=       -0.0000000188
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000182
 Unscaled step for mode   23=       -0.0000000011
 Unscaled step for mode   24=        0.0000000045
 Unscaled step for mode   25=        0.0000000561
 Unscaled step for mode   26=        0.0000000961
 Unscaled step for mode   27=        0.0000000500
 Unscaled step for mode   28=       -0.0000000415
 Unscaled step for mode   29=       -0.0000000280
 Unscaled step for mode   30=        0.0000000791
 Unscaled step for mode   31=        0.0000000465
 Unscaled step for mode   32=        0.0000000211
 Unscaled step for mode   33=       -0.0000000417
 Unscaled step for mode   34=       -0.0000000372
 Unscaled step for mode   35=       -0.0000000892
 Unscaled step for mode   36=       -0.0000000645
 Unscaled step for mode   37=        0.0000000682
 Unscaled step for mode   38=        0.0000000045
 Unscaled step for mode   39=        0.0000000786
 Unscaled step for mode   40=        0.0000000407
 Unscaled step for mode   41=        0.0000001603
 Unscaled step for mode   42=        0.0000000503
 Unscaled step for mode   43=        0.0000000618
 Unscaled step for mode   44=        0.0000001129
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001134
 Unscaled step for mode   47=        0.0000001463
 Unscaled step for mode   48=       -0.0000000234
 Unscaled step for mode   49=        0.0000001235
 Unscaled step for mode   50=       -0.0000000493
 Unscaled step for mode   51=        0.0000000851
 Unscaled step for mode   52=        0.0000000178
 Unscaled step for mode   53=       -0.0000000733
 Unscaled step for mode   54=       -0.0000001002
 Unscaled step for mode   55=        0.0000001218
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=       -0.0000000635
 Unscaled step for mode   58=       -0.0000001559
 Unscaled step for mode   59=        0.0000000054
 Unscaled step for mode   60=       -0.0000001527
 Unscaled step for mode   61=        0.0000001934
 Unscaled step for mode   62=        0.0000002215
 Unscaled step for mode   63=       -0.0000001758
 Unscaled step for mode   64=       -0.0000001956
 Unscaled step for mode   65=        0.0000001345
 Unscaled step for mode   66=        0.0000001744
 Unscaled step for mode   67=       -0.0000000568
 Unscaled step for mode   68=       -0.0000000773
 Unscaled step for mode   69=       -0.0000000475
 Unscaled step for mode   70=       -0.0000002288
 Unscaled step for mode   71=        0.0000000508
 Unscaled step for mode   72=       -0.0000005390
 Unscaled step for mode   73=        0.0000002636
 Unscaled step for mode   74=        0.0000002900
 Unscaled step for mode   75=       -0.0000007402
 Unscaled step for mode   76=       -0.0000000834
 Unscaled step for mode   77=        0.0000006379
 Unscaled step for mode   78=        0.0000000209
 Unscaled step for mode   79=        0.0000001140
 Unscaled step for mode   80=       -0.0000002542
 Unscaled step for mode   81=       -0.0000002672
 Unscaled step for mode   82=        0.0000000182
 Unscaled step for mode   83=        0.0000002014
 Unscaled step for mode   84=        0.0000005390
 Unscaled step for mode   85=       -0.0000006046
 Unscaled step for mode   86=       -0.0000000344
 Unscaled step for mode   87=        0.0000006432
 Unscaled step for mode   88=        0.0000000743
 Unscaled step for mode   89=        0.0000008567
 Unscaled step for mode   90=        0.0000006056
 Unscaled step for mode   91=       -0.0000000834
 Unscaled step for mode   92=       -0.0000010944
 Unscaled step for mode   93=       -0.0000005492
 Unscaled step for mode   94=       -0.0000008941
 Unscaled step for mode   95=       -0.0000004760
 Unscaled step for mode   96=       -0.0000001597
 Unscaled step for mode   97=       -0.0000009716
 Unscaled step for mode   98=       -0.0000010509
 Unscaled step for mode   99=        0.0000032542
 Unscaled step for mode  100=       -0.0000027833
 Unscaled step for mode  101=       -0.0000005619
 Unscaled step for mode  102=       -0.0000034312
 Unscaled step for mode  103=        0.0000005902
 Unscaled step for mode  104=        0.0000030598
 Unscaled step for mode  105=       -0.0000024712
 Unscaled step for mode  106=        0.0000006622
 Unscaled step for mode  107=        0.0000055044
 Unscaled step for mode  108=        0.0000002256
 Unscaled step for mode  109=        0.0000052994
 Unscaled step for mode  110=        0.0004920279
 Unscaled step for mode  111=        0.0003707949
 Unscaled step for mode  112=       -0.0007133195
 Unscaled step for mode  113=       -0.0029138795
 Unscaled step for mode  114=        0.1489636187
 Largest modulus ratio of non-zero e/values=           172.5473203    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.531259E-16    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.802418E-15    0.100712E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.316805E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.237440E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.620164E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.346077E-15    0.973892E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.413303E-05    0.733219E+03  0.563682E-08 0.100000E-04    0.992023E+00
   8   -0.467823E-05    0.673555E+03  0.694558E-08 0.100000E-04    0.999001E+00
   9   -0.122714E-06    0.626925E+03  0.195740E-09 0.100000E-04    0.861632E+00
  10    0.200032E-05    0.604179E+03 -0.331081E-08 0.100000E-04    0.983454E+00
  11   -0.142886E-05    0.588298E+03  0.242881E-08 0.100000E-04    0.997472E+00
  12   -0.195585E-05    0.571329E+03  0.342334E-08 0.100000E-04    0.989296E+00
  13   -0.350873E-05    0.566895E+03  0.618937E-08 0.100000E-04    0.993829E+00
  14   -0.175763E-05    0.482851E+03  0.364010E-08 0.100000E-04    0.985926E+00
  15    0.182022E-05    0.465113E+03 -0.391351E-08 0.100000E-04    0.988950E+00
  16    0.591565E-05    0.461321E+03 -0.128233E-07 0.100000E-04    0.994229E+00
  17    0.438924E-05    0.441387E+03 -0.994420E-08 0.100000E-04    0.993184E+00
  18    0.500165E-05    0.429697E+03 -0.116400E-07 0.100000E-04    0.997984E+00
  19   -0.160478E-04    0.421821E+03  0.380440E-07 0.100000E-04    0.996546E+00
  20    0.765876E-05    0.407942E+03 -0.187741E-07 0.100000E-04    0.999114E+00
  21    0.715400E-05    0.397407E+03 -0.180017E-07 0.100000E-04    0.999568E+00
  22   -0.708531E-05    0.388833E+03  0.182220E-07 0.100000E-04    0.991945E+00
  23    0.408839E-06    0.367880E+03 -0.111134E-08 0.100000E-04    0.983356E+00
  24   -0.161331E-05    0.361773E+03  0.445946E-08 0.100000E-04    0.974838E+00
  25   -0.196892E-04    0.350861E+03  0.561167E-07 0.100000E-04    0.997819E+00
  26   -0.323256E-04    0.336240E+03  0.961385E-07 0.100000E-04    0.997397E+00
  27   -0.162865E-04    0.325890E+03  0.499754E-07 0.100000E-04    0.998771E+00
  28    0.133449E-04    0.321454E+03 -0.415143E-07 0.100000E-04    0.993321E+00
  29    0.897888E-05    0.320234E+03 -0.280385E-07 0.100000E-04    0.979156E+00
  30   -0.247463E-04    0.312736E+03  0.791284E-07 0.100000E-04    0.999190E+00
  31   -0.141294E-04    0.303989E+03  0.464799E-07 0.100000E-04    0.996527E+00
  32   -0.609160E-05    0.288557E+03  0.211106E-07 0.100000E-04    0.991570E+00
  33    0.116229E-04    0.278800E+03 -0.416891E-07 0.100000E-04    0.993306E+00
  34    0.100819E-04    0.270753E+03 -0.372365E-07 0.100000E-04    0.990970E+00
  35    0.238155E-04    0.266854E+03 -0.892456E-07 0.100000E-04    0.999196E+00
  36    0.170295E-04    0.264203E+03 -0.644561E-07 0.100000E-04    0.995821E+00
  37   -0.177108E-04    0.259543E+03  0.682384E-07 0.100000E-04    0.996708E+00
  38   -0.115398E-05    0.253907E+03  0.454489E-08 0.100000E-04    0.957785E+00
  39   -0.190470E-04    0.242278E+03  0.786165E-07 0.100000E-04    0.997317E+00
  40   -0.970511E-05    0.238215E+03  0.407409E-07 0.100000E-04    0.977704E+00
  41   -0.376984E-04    0.235113E+03  0.160342E-06 0.100000E-04    0.997024E+00
  42   -0.114849E-04    0.228523E+03  0.502570E-07 0.100000E-04    0.995377E+00
  43   -0.136072E-04    0.220246E+03  0.617817E-07 0.100000E-04    0.996719E+00
  44   -0.241380E-04    0.213738E+03  0.112933E-06 0.100000E-04    0.996150E+00
  45    0.809448E-06    0.212280E+03 -0.381312E-08 0.100000E-04    0.912345E+00
  46    0.235143E-04    0.207380E+03 -0.113387E-06 0.100000E-04    0.995920E+00
  47   -0.297827E-04    0.203547E+03  0.146319E-06 0.100000E-04    0.999535E+00
  48    0.462922E-05    0.197533E+03 -0.234351E-07 0.100000E-04    0.992448E+00
  49   -0.241087E-04    0.195286E+03  0.123453E-06 0.100000E-04    0.998905E+00
  50    0.943746E-05    0.191531E+03 -0.492737E-07 0.100000E-04    0.987891E+00
  51   -0.156770E-04    0.184316E+03  0.850553E-07 0.100000E-04    0.999863E+00
  52   -0.311760E-05    0.175126E+03  0.178020E-07 0.100000E-04    0.995148E+00
  53    0.126029E-04    0.171826E+03 -0.733464E-07 0.100000E-04    0.996994E+00
  54    0.167828E-04    0.167550E+03 -0.100166E-06 0.100000E-04    0.997363E+00
  55   -0.200999E-04    0.165059E+03  0.121774E-06 0.100000E-04    0.999139E+00
  56   -0.592052E-05    0.159044E+03  0.372258E-07 0.100000E-04    0.992421E+00
  57    0.976997E-05    0.153943E+03 -0.634648E-07 0.100000E-04    0.994113E+00
  58    0.235929E-04    0.151313E+03 -0.155921E-06 0.100000E-04    0.997774E+00
  59   -0.805756E-06    0.148687E+03  0.541914E-08 0.100000E-04    0.858849E+00
  60    0.218767E-04    0.143261E+03 -0.152706E-06 0.100000E-04    0.999307E+00
  61   -0.265135E-04    0.137100E+03  0.193388E-06 0.100000E-04    0.992194E+00
  62   -0.300814E-04    0.135804E+03  0.221505E-06 0.100000E-04    0.999779E+00
  63    0.229666E-04    0.130675E+03 -0.175754E-06 0.100000E-04    0.995999E+00
  64    0.250404E-04    0.128035E+03 -0.195574E-06 0.100000E-04    0.994474E+00
  65   -0.169654E-04    0.126101E+03  0.134538E-06 0.100000E-04    0.985180E+00
  66   -0.218964E-04    0.125576E+03  0.174367E-06 0.100000E-04    0.996728E+00
  67    0.679637E-05    0.119733E+03 -0.567628E-07 0.100000E-04    0.998233E+00
  68    0.913142E-05    0.118066E+03 -0.773419E-07 0.100000E-04    0.997917E+00
  69    0.555531E-05    0.117014E+03 -0.474756E-07 0.100000E-04    0.988612E+00
  70    0.254108E-04    0.111052E+03 -0.228818E-06 0.100000E-04    0.999929E+00
  71   -0.547996E-05    0.107922E+03  0.507772E-07 0.100000E-04    0.995400E+00
  72    0.564723E-04    0.104772E+03 -0.539000E-06 0.100000E-04    0.994249E+00
  73   -0.271727E-04    0.103084E+03  0.263597E-06 0.100000E-04    0.997667E+00
  74   -0.289374E-04    0.997841E+02  0.290000E-06 0.100000E-04    0.998361E+00
  75    0.710064E-04    0.959267E+02 -0.740215E-06 0.100000E-04    0.995775E+00
  76    0.791155E-05    0.948639E+02 -0.833989E-07 0.100000E-04    0.932335E+00
  77   -0.592484E-04    0.928758E+02  0.637932E-06 0.100000E-04    0.997450E+00
  78   -0.189199E-05    0.904795E+02  0.209107E-07 0.100000E-04    0.992429E+00
  79   -0.102276E-04    0.897347E+02  0.113976E-06 0.100000E-04    0.998694E+00
  80    0.215967E-04    0.849762E+02 -0.254150E-06 0.100000E-04    0.999149E+00
  81    0.216231E-04    0.809147E+02 -0.267233E-06 0.100000E-04    0.996796E+00
  82   -0.145367E-05    0.798005E+02  0.182163E-07 0.100000E-04    0.950722E+00
  83   -0.157724E-04    0.782981E+02  0.201440E-06 0.100000E-04    0.994147E+00
  84   -0.392291E-04    0.727792E+02  0.539016E-06 0.100000E-04    0.993106E+00
  85    0.436504E-04    0.721934E+02 -0.604632E-06 0.100000E-04    0.996503E+00
  86    0.235211E-05    0.682848E+02 -0.344455E-07 0.100000E-04    0.904927E+00
  87   -0.428506E-04    0.666211E+02  0.643199E-06 0.100000E-04    0.999166E+00
  88   -0.469790E-05    0.632192E+02  0.743113E-07 0.100000E-04    0.981122E+00
  89   -0.515618E-04    0.601878E+02  0.856682E-06 0.100000E-04    0.997374E+00
  90   -0.361688E-04    0.597246E+02  0.605592E-06 0.100000E-04    0.983427E+00
  91    0.492494E-05    0.590670E+02 -0.833789E-07 0.100000E-04    0.957690E+00
  92    0.613222E-04    0.560351E+02 -0.109435E-05 0.100000E-04    0.998795E+00
  93    0.289960E-04    0.527991E+02 -0.549177E-06 0.100000E-04    0.997658E+00
  94    0.467491E-04    0.522839E+02 -0.894139E-06 0.100000E-04    0.994505E+00
  95    0.238378E-04    0.500812E+02 -0.475984E-06 0.100000E-04    0.997129E+00
  96    0.759541E-05    0.475632E+02 -0.159691E-06 0.100000E-04    0.979157E+00
  97    0.416685E-04    0.428876E+02 -0.971573E-06 0.100000E-04    0.993295E+00
  98    0.424317E-04    0.403773E+02 -0.105088E-05 0.100000E-04    0.994631E+00
  99   -0.121709E-03    0.374001E+02  0.325424E-05 0.100000E-04    0.996105E+00
 100    0.100619E-03    0.361510E+02 -0.278329E-05 0.100000E-04    0.997000E+00
 101    0.194820E-04    0.346718E+02 -0.561896E-06 0.100000E-04    0.976827E+00
 102    0.988741E-04    0.288166E+02 -0.343115E-05 0.100000E-04    0.996586E+00
 103   -0.169156E-04    0.286588E+02  0.590240E-06 0.100000E-04    0.977102E+00
 104   -0.842361E-04    0.275299E+02  0.305980E-05 0.100000E-04    0.989104E+00
 105    0.567826E-04    0.229778E+02 -0.247120E-05 0.100000E-04    0.998679E+00
 106   -0.141778E-04    0.214111E+02  0.662171E-06 0.100000E-04    0.913711E+00
 107   -0.112186E-03    0.203812E+02  0.550439E-05 0.100000E-04    0.993216E+00
 108   -0.379404E-05    0.168160E+02  0.225620E-06 0.100000E-04    0.842959E+00
 109   -0.730699E-04    0.137884E+02  0.529939E-05 0.100000E-04    0.998828E+00
 110   -0.602704E-02    0.122494E+02  0.100000E-04 0.100000E-04    0.455909E+00
 111   -0.366581E-02    0.988636E+01  0.100000E-04 0.100000E-04    0.722847E+00
 112    0.639262E-02    0.896178E+01 -0.100000E-04 0.100000E-04    0.279371E+00
 113    0.208795E-01    0.716548E+01 -0.165505E-04 0.165505E-04    0.142602E+00
 114    0.647368E+00    0.424938E+01  0.400000E-03 0.400000E-03    0.557734E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1489636187    

 Beginning of optimization cycle  327.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3572338761
 potential> RMS force:                                               0.0608280477   |gradient|=.6494658250    
 Eigenvalues of the Hessian matrix:
   733.28137    673.56379    626.93680    604.17167    588.28796    571.37242 
   566.90142    482.87643    465.08957    461.31440    441.38883    429.68929 
   421.82535    407.95019    397.40171    388.83159    367.88774    361.76380 
   350.85428    336.22023    325.90282    321.45259    320.23910    312.71144 
   303.97750    288.56547    278.79467    270.75587    266.86253    264.21066 
   259.55690    253.90871    242.27366    238.22710    235.10084    228.51932 
   220.22509    213.74628    212.28561    207.37422    203.54862    197.52664 
   195.28234    191.52978    184.30567    175.11530    171.83211    167.55035 
   165.05235    159.03329    153.94812    151.31793    148.67923    143.26286 
   137.10289    135.80754    130.67317    128.03971    126.10295    125.57446 
   119.73468    118.06664    117.01563    111.04615    107.91312    104.76933 
   103.08504     99.78271     95.92103     94.85638     92.88832     90.48321 
    89.73053     84.97907     80.91450     79.80286     78.29690     72.78078 
    72.19805     68.28434     66.60848     63.21588     60.17929     59.72492 
    59.06752     56.03561     52.79564     52.28470     50.07993     47.55884 
    42.88664     40.37976     37.40435     36.15425     34.65996     28.81616 
    28.65760     27.52177     22.97944     21.40484     20.38592     16.81563 
    13.78875     12.24908      9.88775      8.95460      7.15927      4.24457 
overlap for current and previous eigenvector    109 is        -0.9999996434
overlap for current and previous eigenvector    110 is         0.9999995037
overlap for current and previous eigenvector    111 is         0.9999976550
overlap for current and previous eigenvector    112 is        -0.9999917183
overlap for current and previous eigenvector    113 is        -0.9999938907
overlap for current and previous eigenvector    114 is        -0.9999997204
J1,K1,R1,R2,RAT=   7   7   -0.6490605916E-02     2.006320030        0.9935093941    
FOB,PFOB,DIAG,PSTEP=   -0.4159853444E-05   -0.4133025317E-05     733.2813682        0.5636823767E-08
J1,K1,R1,R2,RAT=   8   8   -0.8462985208E-02     2.008436943        0.9915370148    
FOB,PFOB,DIAG,PSTEP=   -0.4717821262E-05   -0.4678228964E-05     673.5637948        0.6945578010E-08
J1,K1,R1,R2,RAT=   9   9   -0.3519286372E-01     2.035154138        0.9648071363    
FOB,PFOB,DIAG,PSTEP=   -0.1270332553E-06   -0.1227144971E-06     626.9368018        0.1957404205E-09
J1,K1,R1,R2,RAT=  10  10    0.8518592409E-02     1.991506206        0.9914814076    
FOB,PFOB,DIAG,PSTEP=    0.1983281940E-05    0.2000321653E-05     604.1716736       -0.3310808730E-08
J1,K1,R1,R2,RAT=  11  11   -0.6235008472E-02     2.006268687        0.9937649915    
FOB,PFOB,DIAG,PSTEP=   -0.1437773443E-05   -0.1428864610E-05     588.2879632        0.2428811464E-08
J1,K1,R1,R2,RAT= 109 109     1.995517599        0.4426627164E-02    0.9955175991    
FOB,PFOB,DIAG,PSTEP=    0.7274643553E-04   -0.7306989775E-04     13.78874980        0.5299388021E-05
J1,K1,R1,R2,RAT= 110 110   -0.5384855815         98.94649955        0.4615144185    
FOB,PFOB,DIAG,PSTEP=   -0.6092996724E-02   -0.6027037205E-02     12.24907802        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2827301666         73.86585111        0.7172698334    
FOB,PFOB,DIAG,PSTEP=   -0.3637856108E-02   -0.3665811750E-02     9.887746162        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     143.6605617       -0.8821885803        0.1178114197    
FOB,PFOB,DIAG,PSTEP=   -0.6471612270E-02    0.6392615815E-02     8.954599602       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     353.1482748       -0.7205194382        0.2794805618    
FOB,PFOB,DIAG,PSTEP=   -0.2096489811E-01    0.2087952400E-01     7.159274789       -0.1655051276E-04
J1,K1,R1,R2,RAT= 114 114    -763.5786206        0.9943659176        0.5634082389E-02
FOB,PFOB,DIAG,PSTEP=   -0.6490562189        0.6473679579         4.244566774        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002     -0.00001     -0.00001      0.00002      0.00000     -0.00002 
     0.00003     -0.00003      0.00002      0.00003     -0.00002     -0.00002 
     0.00001     -0.00001      0.00001      0.00003     -0.00001      0.00006 
    -0.00003     -0.00003      0.00007      0.00001      0.00006      0.00000 
     0.00001      0.00002      0.00002     -0.00000     -0.00002     -0.00004 
     0.00004     -0.00000      0.00004     -0.00000     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00003      0.00005      0.00002     -0.00001 
     0.00004     -0.00004      0.00012      0.00010      0.00002     -0.00010 
    -0.00002      0.00008      0.00006     -0.00001     -0.00011     -0.00000 
     0.00007     -0.00609     -0.00364     -0.00647     -0.02096     -0.64906 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4262490751
 Log product of positive Hessian eigenvalues =          519.8271627036
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2445667735
 Unscaled step for mode    7=        0.0000000057
 Unscaled step for mode    8=        0.0000000070
 Unscaled step for mode    9=        0.0000000002
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000024
 Unscaled step for mode   12=        0.0000000035
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000035
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000129
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000381
 Unscaled step for mode   20=       -0.0000000187
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000183
 Unscaled step for mode   23=       -0.0000000012
 Unscaled step for mode   24=        0.0000000045
 Unscaled step for mode   25=        0.0000000563
 Unscaled step for mode   26=        0.0000000963
 Unscaled step for mode   27=        0.0000000501
 Unscaled step for mode   28=       -0.0000000417
 Unscaled step for mode   29=       -0.0000000284
 Unscaled step for mode   30=        0.0000000793
 Unscaled step for mode   31=        0.0000000468
 Unscaled step for mode   32=        0.0000000212
 Unscaled step for mode   33=       -0.0000000417
 Unscaled step for mode   34=       -0.0000000374
 Unscaled step for mode   35=       -0.0000000894
 Unscaled step for mode   36=       -0.0000000647
 Unscaled step for mode   37=        0.0000000685
 Unscaled step for mode   38=        0.0000000044
 Unscaled step for mode   39=        0.0000000787
 Unscaled step for mode   40=        0.0000000415
 Unscaled step for mode   41=        0.0000001609
 Unscaled step for mode   42=        0.0000000505
 Unscaled step for mode   43=        0.0000000623
 Unscaled step for mode   44=        0.0000001136
 Unscaled step for mode   45=       -0.0000000035
 Unscaled step for mode   46=       -0.0000001140
 Unscaled step for mode   47=        0.0000001464
 Unscaled step for mode   48=       -0.0000000236
 Unscaled step for mode   49=        0.0000001241
 Unscaled step for mode   50=       -0.0000000488
 Unscaled step for mode   51=        0.0000000855
 Unscaled step for mode   52=        0.0000000181
 Unscaled step for mode   53=       -0.0000000736
 Unscaled step for mode   54=       -0.0000001008
 Unscaled step for mode   55=       -0.0000001219
 Unscaled step for mode   56=        0.0000000369
 Unscaled step for mode   57=        0.0000000639
 Unscaled step for mode   58=       -0.0000001562
 Unscaled step for mode   59=       -0.0000000055
 Unscaled step for mode   60=        0.0000001533
 Unscaled step for mode   61=       -0.0000001939
 Unscaled step for mode   62=        0.0000002210
 Unscaled step for mode   63=       -0.0000001752
 Unscaled step for mode   64=       -0.0000001968
 Unscaled step for mode   65=        0.0000001359
 Unscaled step for mode   66=        0.0000001730
 Unscaled step for mode   67=       -0.0000000574
 Unscaled step for mode   68=        0.0000000774
 Unscaled step for mode   69=       -0.0000000475
 Unscaled step for mode   70=       -0.0000002301
 Unscaled step for mode   71=        0.0000000510
 Unscaled step for mode   72=       -0.0000005403
 Unscaled step for mode   73=        0.0000002644
 Unscaled step for mode   74=        0.0000002891
 Unscaled step for mode   75=       -0.0000007436
 Unscaled step for mode   76=       -0.0000000781
 Unscaled step for mode   77=       -0.0000006366
 Unscaled step for mode   78=       -0.0000000234
 Unscaled step for mode   79=       -0.0000001124
 Unscaled step for mode   80=       -0.0000002550
 Unscaled step for mode   81=       -0.0000002677
 Unscaled step for mode   82=        0.0000000208
 Unscaled step for mode   83=        0.0000002030
 Unscaled step for mode   84=        0.0000005401
 Unscaled step for mode   85=       -0.0000006030
 Unscaled step for mode   86=        0.0000000378
 Unscaled step for mode   87=       -0.0000006444
 Unscaled step for mode   88=        0.0000000750
 Unscaled step for mode   89=        0.0000008550
 Unscaled step for mode   90=        0.0000006105
 Unscaled step for mode   91=        0.0000000857
 Unscaled step for mode   92=        0.0000010970
 Unscaled step for mode   93=       -0.0000005441
 Unscaled step for mode   94=       -0.0000008948
 Unscaled step for mode   95=       -0.0000004704
 Unscaled step for mode   96=        0.0000001590
 Unscaled step for mode   97=       -0.0000009697
 Unscaled step for mode   98=        0.0000010541
 Unscaled step for mode   99=       -0.0000032525
 Unscaled step for mode  100=       -0.0000027787
 Unscaled step for mode  101=       -0.0000005624
 Unscaled step for mode  102=        0.0000034294
 Unscaled step for mode  103=        0.0000006047
 Unscaled step for mode  104=       -0.0000030589
 Unscaled step for mode  105=       -0.0000024836
 Unscaled step for mode  106=        0.0000006374
 Unscaled step for mode  107=        0.0000055134
 Unscaled step for mode  108=        0.0000002166
 Unscaled step for mode  109=       -0.0000052758
 Unscaled step for mode  110=        0.0004974248
 Unscaled step for mode  111=        0.0003679156
 Unscaled step for mode  112=        0.0007227134
 Unscaled step for mode  113=        0.0029283299
 Unscaled step for mode  114=       -0.1494970526
 Largest modulus ratio of non-zero e/values=           172.7576470    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.216190E-15    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.159616E-14    0.100712E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.425333E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.537331E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.682800E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.835595E-15    0.973894E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.415985E-05    0.733281E+03  0.567293E-08 0.100000E-04    0.993509E+00
   8   -0.471782E-05    0.673564E+03  0.700427E-08 0.100000E-04    0.991537E+00
   9   -0.127033E-06    0.626937E+03  0.202625E-09 0.100000E-04    0.964807E+00
  10    0.198328E-05    0.604172E+03 -0.328265E-08 0.100000E-04    0.991481E+00
  11   -0.143777E-05    0.588288E+03  0.244400E-08 0.100000E-04    0.993765E+00
  12   -0.200556E-05    0.571372E+03  0.351008E-08 0.100000E-04    0.974586E+00
  13   -0.353637E-05    0.566901E+03  0.623808E-08 0.100000E-04    0.992120E+00
  14   -0.170836E-05    0.482876E+03  0.353788E-08 0.100000E-04    0.971865E+00
  15    0.184294E-05    0.465090E+03 -0.396254E-08 0.100000E-04    0.987522E+00
  16    0.592812E-05    0.461314E+03 -0.128505E-07 0.100000E-04    0.997892E+00
  17    0.438484E-05    0.441389E+03 -0.993419E-08 0.100000E-04    0.998991E+00
  18    0.501928E-05    0.429689E+03 -0.116812E-07 0.100000E-04    0.996475E+00
  19   -0.160784E-04    0.421825E+03  0.381163E-07 0.100000E-04    0.998091E+00
  20    0.763101E-05    0.407950E+03 -0.187057E-07 0.100000E-04    0.996338E+00
  21    0.714077E-05    0.397402E+03 -0.179686E-07 0.100000E-04    0.998151E+00
  22   -0.710846E-05    0.388832E+03  0.182816E-07 0.100000E-04    0.996733E+00
  23    0.430499E-06    0.367888E+03 -0.117019E-08 0.100000E-04    0.947022E+00
  24   -0.163522E-05    0.361764E+03  0.452014E-08 0.100000E-04    0.986417E+00
  25   -0.197461E-04    0.350854E+03  0.562801E-07 0.100000E-04    0.997108E+00
  26   -0.323747E-04    0.336220E+03  0.962900E-07 0.100000E-04    0.998481E+00
  27   -0.163301E-04    0.325903E+03  0.501074E-07 0.100000E-04    0.997321E+00
  28    0.134168E-04    0.321453E+03 -0.417381E-07 0.100000E-04    0.994613E+00
  29    0.911019E-05    0.320239E+03 -0.284481E-07 0.100000E-04    0.985376E+00
  30   -0.247871E-04    0.312711E+03  0.792651E-07 0.100000E-04    0.998351E+00
  31   -0.142406E-04    0.303977E+03  0.468476E-07 0.100000E-04    0.992129E+00
  32   -0.610576E-05    0.288565E+03  0.211590E-07 0.100000E-04    0.997674E+00
  33    0.116268E-04    0.278795E+03 -0.417037E-07 0.100000E-04    0.999666E+00
  34    0.101251E-04    0.270756E+03 -0.373956E-07 0.100000E-04    0.995716E+00
  35    0.238491E-04    0.266863E+03 -0.893686E-07 0.100000E-04    0.998589E+00
  36    0.170991E-04    0.264211E+03 -0.647177E-07 0.100000E-04    0.995914E+00
  37   -0.177667E-04    0.259557E+03  0.684503E-07 0.100000E-04    0.996841E+00
  38   -0.111636E-05    0.253909E+03  0.439670E-08 0.100000E-04    0.967388E+00
  39   -0.190737E-04    0.242274E+03  0.787278E-07 0.100000E-04    0.998601E+00
  40   -0.987697E-05    0.238227E+03  0.414603E-07 0.100000E-04    0.982293E+00
  41   -0.378176E-04    0.235101E+03  0.160857E-06 0.100000E-04    0.996838E+00
  42   -0.115471E-04    0.228519E+03  0.505300E-07 0.100000E-04    0.994585E+00
  43   -0.137138E-04    0.220225E+03  0.622718E-07 0.100000E-04    0.992162E+00
  44   -0.242825E-04    0.213746E+03  0.113605E-06 0.100000E-04    0.994014E+00
  45    0.751966E-06    0.212286E+03 -0.354224E-08 0.100000E-04    0.928931E+00
  46    0.236305E-04    0.207374E+03 -0.113951E-06 0.100000E-04    0.995057E+00
  47   -0.298090E-04    0.203549E+03  0.146446E-06 0.100000E-04    0.999119E+00
  48    0.466315E-05    0.197527E+03 -0.236077E-07 0.100000E-04    0.992670E+00
  49   -0.242252E-04    0.195282E+03  0.124052E-06 0.100000E-04    0.995165E+00
  50    0.935483E-05    0.191530E+03 -0.488427E-07 0.100000E-04    0.991245E+00
  51   -0.157602E-04    0.184306E+03  0.855110E-07 0.100000E-04    0.994697E+00
  52   -0.316398E-05    0.175115E+03  0.180680E-07 0.100000E-04    0.985121E+00
  53    0.126443E-04    0.171832E+03 -0.735853E-07 0.100000E-04    0.996709E+00
  54    0.168963E-04    0.167550E+03 -0.100843E-06 0.100000E-04    0.993237E+00
  55    0.201198E-04    0.165052E+03 -0.121900E-06 0.100000E-04    0.999010E+00
  56   -0.587238E-05    0.159033E+03  0.369255E-07 0.100000E-04    0.991869E+00
  57   -0.983502E-05    0.153948E+03  0.638853E-07 0.100000E-04    0.993342E+00
  58    0.236407E-04    0.151318E+03 -0.156232E-06 0.100000E-04    0.997971E+00
  59    0.824935E-06    0.148679E+03 -0.554842E-08 0.100000E-04    0.976197E+00
  60   -0.219630E-04    0.143263E+03  0.153305E-06 0.100000E-04    0.996057E+00
  61    0.265878E-04    0.137103E+03 -0.193926E-06 0.100000E-04    0.997198E+00
  62   -0.300103E-04    0.135808E+03  0.220976E-06 0.100000E-04    0.997592E+00
  63    0.228990E-04    0.130673E+03 -0.175238E-06 0.100000E-04    0.997053E+00
  64    0.252002E-04    0.128040E+03 -0.196815E-06 0.100000E-04    0.993621E+00
  65   -0.171408E-04    0.126103E+03  0.135927E-06 0.100000E-04    0.989662E+00
  66   -0.217206E-04    0.125574E+03  0.172970E-06 0.100000E-04    0.991973E+00
  67    0.687102E-05    0.119735E+03 -0.573854E-07 0.100000E-04    0.989017E+00
  68   -0.913849E-05    0.118067E+03  0.774011E-07 0.100000E-04    0.999226E+00
  69    0.555662E-05    0.117016E+03 -0.474861E-07 0.100000E-04    0.999764E+00
  70    0.255504E-04    0.111046E+03 -0.230088E-06 0.100000E-04    0.994504E+00
  71   -0.550009E-05    0.107913E+03  0.509677E-07 0.100000E-04    0.996327E+00
  72    0.566040E-04    0.104769E+03 -0.540273E-06 0.100000E-04    0.997666E+00
  73   -0.272531E-04    0.103085E+03  0.264375E-06 0.100000E-04    0.997043E+00
  74   -0.288456E-04    0.997827E+02  0.289084E-06 0.100000E-04    0.996829E+00
  75    0.713238E-04    0.959210E+02 -0.743568E-06 0.100000E-04    0.995529E+00
  76    0.740822E-05    0.948564E+02 -0.780993E-07 0.100000E-04    0.936375E+00
  77    0.591299E-04    0.928883E+02 -0.636569E-06 0.100000E-04    0.997729E+00
  78    0.211729E-05    0.904832E+02 -0.233998E-07 0.100000E-04    0.880924E+00
  79    0.100896E-04    0.897305E+02 -0.112444E-06 0.100000E-04    0.986512E+00
  80    0.216693E-04    0.849791E+02 -0.254996E-06 0.100000E-04    0.996638E+00
  81    0.216610E-04    0.809145E+02 -0.267702E-06 0.100000E-04    0.998246E+00
  82   -0.165745E-05    0.798029E+02  0.207693E-07 0.100000E-04    0.859826E+00
  83   -0.158913E-04    0.782969E+02  0.202962E-06 0.100000E-04    0.992458E+00
  84   -0.393073E-04    0.727808E+02  0.540078E-06 0.100000E-04    0.998009E+00
  85    0.435352E-04    0.721981E+02 -0.602996E-06 0.100000E-04    0.997231E+00
  86   -0.258396E-05    0.682843E+02  0.378412E-07 0.100000E-04    0.901426E+00
  87    0.429209E-04    0.666085E+02 -0.644375E-06 0.100000E-04    0.998361E+00
  88   -0.473994E-05    0.632159E+02  0.749802E-07 0.100000E-04    0.991052E+00
  89   -0.514561E-04    0.601793E+02  0.855046E-06 0.100000E-04    0.997950E+00
  90   -0.364621E-04    0.597249E+02  0.610500E-06 0.100000E-04    0.991892E+00
  91   -0.505919E-05    0.590675E+02  0.856509E-07 0.100000E-04    0.972742E+00
  92   -0.614706E-04    0.560356E+02  0.109699E-05 0.100000E-04    0.997580E+00
  93    0.287240E-04    0.527956E+02 -0.544060E-06 0.100000E-04    0.990617E+00
  94    0.467847E-04    0.522847E+02 -0.894806E-06 0.100000E-04    0.999239E+00
  95    0.235593E-04    0.500799E+02 -0.470434E-06 0.100000E-04    0.988316E+00
  96   -0.756375E-05    0.475588E+02  0.159040E-06 0.100000E-04    0.995832E+00
  97    0.415892E-04    0.428866E+02 -0.969747E-06 0.100000E-04    0.998098E+00
  98   -0.425640E-04    0.403798E+02  0.105409E-05 0.100000E-04    0.996883E+00
  99    0.121658E-03    0.374043E+02 -0.325252E-05 0.100000E-04    0.999356E+00
 100    0.100463E-03    0.361542E+02 -0.277874E-05 0.100000E-04    0.998277E+00
 101    0.194920E-04    0.346600E+02 -0.562379E-06 0.100000E-04    0.999483E+00
 102   -0.988220E-04    0.288162E+02  0.342940E-05 0.100000E-04    0.999472E+00
 103   -0.173306E-04    0.286576E+02  0.604747E-06 0.100000E-04    0.975465E+00
 104    0.841850E-04    0.275218E+02 -0.305885E-05 0.100000E-04    0.999394E+00
 105    0.570723E-04    0.229794E+02 -0.248363E-05 0.100000E-04    0.994898E+00
 106   -0.136425E-04    0.214048E+02  0.637354E-06 0.100000E-04    0.962230E+00
 107   -0.112395E-03    0.203859E+02  0.551335E-05 0.100000E-04    0.998142E+00
 108   -0.364213E-05    0.168156E+02  0.216592E-06 0.100000E-04    0.959960E+00
 109    0.727464E-04    0.137887E+02 -0.527578E-05 0.100000E-04    0.995518E+00
 110   -0.609300E-02    0.122491E+02  0.100000E-04 0.100000E-04    0.461514E+00
 111   -0.363786E-02    0.988775E+01  0.100000E-04 0.100000E-04    0.717270E+00
 112   -0.647161E-02    0.895460E+01  0.109000E-04 0.109000E-04    0.117811E+00
 113   -0.209649E-01    0.715927E+01  0.149104E-04 0.149104E-04    0.279481E+00
 114   -0.649056E+00    0.424457E+01 -0.400000E-03 0.400000E-03    0.563408E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1494970526    

 Beginning of optimization cycle  328.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3569743937
 potential> RMS force:                                               0.0609862882   |gradient|=.6511553718    
 Eigenvalues of the Hessian matrix:
   733.34391    673.57272    626.94898    604.16388    588.27819    571.41535 
   566.90735    482.90181    465.06628    461.30758    441.39024    429.68165 
   421.82950    407.95800    397.39664    388.83054    367.89499    361.75504 
   350.84691    336.20098    325.91537    321.45109    320.24375    312.68711 
   303.96564    288.57440    278.78952    270.75868    266.87136    264.21798 
   259.57102    253.91023    242.26932    238.23889    235.08840    228.51546 
   220.20436    213.75403    212.29164    207.36851    203.55004    197.52003 
   195.27905    191.52843    184.29557    175.10421    171.83784    167.55069 
   165.04540    159.02295    153.95314    151.32335    148.67130    143.26521 
   137.10536    135.81052    130.67156    128.04416    126.10522    125.57265 
   119.73651    118.06755    117.01722    111.04023    107.90467    104.76638 
   103.08560     99.78135     95.91549     94.84868     92.90085     90.48688 
    89.72631     84.98196     80.91433     79.80520     78.29568     72.78240 
    72.20277     68.28394     66.59587     63.21249     60.17094     59.72517 
    59.06802     56.03618     52.79224     52.28552     50.07872     47.55451 
    42.88566     40.38229     37.40867     36.15757     34.64812     28.81572 
    28.65639     27.51364     22.98111     21.39857     20.39063     16.81523 
    13.78914     12.24878      9.88913      8.94749      7.15304      4.23974 
overlap for current and previous eigenvector    109 is         0.9999996485
overlap for current and previous eigenvector    110 is        -0.9999995077
overlap for current and previous eigenvector    111 is        -0.9999977799
overlap for current and previous eigenvector    112 is         0.9999918802
overlap for current and previous eigenvector    113 is        -0.9999939272
overlap for current and previous eigenvector    114 is        -0.9999997219
J1,K1,R1,R2,RAT=   7   7   -0.7913627260E-02     2.007743054        0.9920863727    
FOB,PFOB,DIAG,PSTEP=   -0.4192775781E-05   -0.4159853444E-05     733.3439124        0.5672929416E-08
J1,K1,R1,R2,RAT=   8   8    0.9087915044E-03     1.999064703        0.9990647034    
FOB,PFOB,DIAG,PSTEP=   -0.4713533690E-05   -0.4717821262E-05     673.5727213        0.7004267894E-08
J1,K1,R1,R2,RAT=   9   9   -0.1170707693         2.117031933        0.8829292307    
FOB,PFOB,DIAG,PSTEP=   -0.1419054250E-06   -0.1270332553E-06     626.9489759        0.2026252964E-09
J1,K1,R1,R2,RAT=  10  10   -0.1637617826E-01     2.016401962        0.9836238217    
FOB,PFOB,DIAG,PSTEP=    0.2015760100E-05    0.1983281940E-05     604.1638849       -0.3282646351E-08
J1,K1,R1,R2,RAT=  11  11   -0.2615361370E-02     2.002648592        0.9973846386    
FOB,PFOB,DIAG,PSTEP=   -0.1441533678E-05   -0.1437773443E-05     588.2781889        0.2443996024E-08
J1,K1,R1,R2,RAT= 109 109   -0.1171624216E-02     2.001114975        0.9988283758    
FOB,PFOB,DIAG,PSTEP=    0.7283166943E-04    0.7274643553E-04     13.78914037       -0.5275781822E-05
J1,K1,R1,R2,RAT= 110 110     100.0364781       -0.5490715366        0.4509284634    
FOB,PFOB,DIAG,PSTEP=    0.6160251288E-02   -0.6092996724E-02     12.24877989        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     73.29184787        0.2809642149        0.7190357851    
FOB,PFOB,DIAG,PSTEP=    0.3610071187E-02   -0.3637856108E-02     9.889131611        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7182775970         133.4316735        0.2817224030    
FOB,PFOB,DIAG,PSTEP=   -0.6541664191E-02   -0.6471612270E-02     8.947490078        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     394.0341143       -0.8972326661        0.1027673339    
FOB,PFOB,DIAG,PSTEP=    0.2106059196E-01   -0.2096489811E-01     7.153037279        0.1491037186E-04
J1,K1,R1,R2,RAT= 114 114    -766.4375995        0.9943655657        0.5634434254E-02
FOB,PFOB,DIAG,PSTEP=    0.6507425599       -0.6490562189         4.239741043       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002     -0.00001      0.00001      0.00002     -0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
     0.00001      0.00001      0.00001     -0.00003      0.00001     -0.00006 
     0.00003     -0.00003     -0.00007      0.00001      0.00006     -0.00000 
     0.00001      0.00002     -0.00002      0.00000      0.00002      0.00004 
    -0.00004      0.00000      0.00004     -0.00000      0.00005      0.00004 
    -0.00001     -0.00006      0.00003      0.00005      0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009      0.00006     -0.00001     -0.00011     -0.00000 
     0.00007      0.00616      0.00361     -0.00654      0.02106      0.65074 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4260984254
 Log product of positive Hessian eigenvalues =          519.8234222060
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2397410425
 Unscaled step for mode    7=        0.0000000057
 Unscaled step for mode    8=        0.0000000070
 Unscaled step for mode    9=        0.0000000002
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000035
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000035
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000129
 Unscaled step for mode   17=       -0.0000000100
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000382
 Unscaled step for mode   20=       -0.0000000187
 Unscaled step for mode   21=       -0.0000000180
 Unscaled step for mode   22=        0.0000000184
 Unscaled step for mode   23=       -0.0000000012
 Unscaled step for mode   24=        0.0000000046
 Unscaled step for mode   25=        0.0000000564
 Unscaled step for mode   26=        0.0000000965
 Unscaled step for mode   27=        0.0000000502
 Unscaled step for mode   28=       -0.0000000420
 Unscaled step for mode   29=       -0.0000000290
 Unscaled step for mode   30=        0.0000000792
 Unscaled step for mode   31=        0.0000000470
 Unscaled step for mode   32=        0.0000000213
 Unscaled step for mode   33=       -0.0000000420
 Unscaled step for mode   34=       -0.0000000377
 Unscaled step for mode   35=       -0.0000000893
 Unscaled step for mode   36=       -0.0000000650
 Unscaled step for mode   37=        0.0000000687
 Unscaled step for mode   38=        0.0000000042
 Unscaled step for mode   39=        0.0000000789
 Unscaled step for mode   40=        0.0000000423
 Unscaled step for mode   41=        0.0000001613
 Unscaled step for mode   42=        0.0000000508
 Unscaled step for mode   43=        0.0000000625
 Unscaled step for mode   44=        0.0000001140
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001144
 Unscaled step for mode   47=        0.0000001464
 Unscaled step for mode   48=       -0.0000000238
 Unscaled step for mode   49=        0.0000001242
 Unscaled step for mode   50=       -0.0000000494
 Unscaled step for mode   51=        0.0000000855
 Unscaled step for mode   52=        0.0000000182
 Unscaled step for mode   53=       -0.0000000738
 Unscaled step for mode   54=       -0.0000001011
 Unscaled step for mode   55=       -0.0000001220
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=       -0.0000000643
 Unscaled step for mode   58=       -0.0000001566
 Unscaled step for mode   59=        0.0000000062
 Unscaled step for mode   60=       -0.0000001534
 Unscaled step for mode   61=        0.0000001954
 Unscaled step for mode   62=       -0.0000002209
 Unscaled step for mode   63=        0.0000001759
 Unscaled step for mode   64=        0.0000001979
 Unscaled step for mode   65=       -0.0000001378
 Unscaled step for mode   66=       -0.0000001724
 Unscaled step for mode   67=       -0.0000000575
 Unscaled step for mode   68=       -0.0000000776
 Unscaled step for mode   69=       -0.0000000480
 Unscaled step for mode   70=        0.0000002301
 Unscaled step for mode   71=       -0.0000000512
 Unscaled step for mode   72=        0.0000005434
 Unscaled step for mode   73=       -0.0000002650
 Unscaled step for mode   74=        0.0000002895
 Unscaled step for mode   75=        0.0000007466
 Unscaled step for mode   76=       -0.0000000720
 Unscaled step for mode   77=       -0.0000006350
 Unscaled step for mode   78=        0.0000000236
 Unscaled step for mode   79=       -0.0000001126
 Unscaled step for mode   80=       -0.0000002548
 Unscaled step for mode   81=        0.0000002685
 Unscaled step for mode   82=       -0.0000000216
 Unscaled step for mode   83=       -0.0000002018
 Unscaled step for mode   84=       -0.0000005438
 Unscaled step for mode   85=        0.0000006050
 Unscaled step for mode   86=       -0.0000000408
 Unscaled step for mode   87=       -0.0000006450
 Unscaled step for mode   88=        0.0000000764
 Unscaled step for mode   89=       -0.0000008524
 Unscaled step for mode   90=       -0.0000006208
 Unscaled step for mode   91=        0.0000000892
 Unscaled step for mode   92=        0.0000010956
 Unscaled step for mode   93=       -0.0000005427
 Unscaled step for mode   94=       -0.0000008997
 Unscaled step for mode   95=       -0.0000004718
 Unscaled step for mode   96=        0.0000001556
 Unscaled step for mode   97=       -0.0000009762
 Unscaled step for mode   98=       -0.0000010596
 Unscaled step for mode   99=        0.0000032645
 Unscaled step for mode  100=       -0.0000027707
 Unscaled step for mode  101=       -0.0000005753
 Unscaled step for mode  102=       -0.0000034410
 Unscaled step for mode  103=        0.0000006179
 Unscaled step for mode  104=        0.0000030928
 Unscaled step for mode  105=       -0.0000024869
 Unscaled step for mode  106=        0.0000006906
 Unscaled step for mode  107=        0.0000054766
 Unscaled step for mode  108=        0.0000001747
 Unscaled step for mode  109=       -0.0000052818
 Unscaled step for mode  110=       -0.0005029276
 Unscaled step for mode  111=       -0.0003650544
 Unscaled step for mode  112=        0.0007311168
 Unscaled step for mode  113=       -0.0029442611
 Unscaled step for mode  114=        0.1500314986
 Largest modulus ratio of non-zero e/values=           172.9690340    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.113841E-15    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.139222E-14    0.100712E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.315173E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.745931E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.179327E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.213208E-15    0.973895E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.419278E-05    0.733344E+03  0.571734E-08 0.100000E-04    0.992086E+00
   8   -0.471353E-05    0.673573E+03  0.699781E-08 0.100000E-04    0.999065E+00
   9   -0.141905E-06    0.626949E+03  0.226343E-09 0.100000E-04    0.882929E+00
  10    0.201576E-05    0.604164E+03 -0.333645E-08 0.100000E-04    0.983624E+00
  11   -0.144153E-05    0.588278E+03  0.245043E-08 0.100000E-04    0.997385E+00
  12   -0.202648E-05    0.571415E+03  0.354642E-08 0.100000E-04    0.989573E+00
  13   -0.351494E-05    0.566907E+03  0.620021E-08 0.100000E-04    0.993919E+00
  14   -0.168302E-05    0.482902E+03  0.348522E-08 0.100000E-04    0.985062E+00
  15    0.182300E-05    0.465066E+03 -0.391988E-08 0.100000E-04    0.989185E+00
  16    0.596205E-05    0.461308E+03 -0.129242E-07 0.100000E-04    0.994276E+00
  17    0.441441E-05    0.441390E+03 -0.100012E-07 0.100000E-04    0.993256E+00
  18    0.500928E-05    0.429682E+03 -0.116581E-07 0.100000E-04    0.998006E+00
  19   -0.161335E-04    0.421830E+03  0.382466E-07 0.100000E-04    0.996571E+00
  20    0.762416E-05    0.407958E+03 -0.186886E-07 0.100000E-04    0.999064E+00
  21    0.714328E-05    0.397397E+03 -0.179752E-07 0.100000E-04    0.999649E+00
  22   -0.716483E-05    0.388831E+03  0.184266E-07 0.100000E-04    0.992070E+00
  23    0.423482E-06    0.367895E+03 -0.115110E-08 0.100000E-04    0.983661E+00
  24   -0.167492E-05    0.361755E+03  0.462998E-08 0.100000E-04    0.975722E+00
  25   -0.197887E-04    0.350847E+03  0.564027E-07 0.100000E-04    0.997843E+00
  26   -0.324579E-04    0.336201E+03  0.965433E-07 0.100000E-04    0.997427E+00
  27   -0.163498E-04    0.325915E+03  0.501659E-07 0.100000E-04    0.998795E+00
  28    0.135015E-04    0.321451E+03 -0.420018E-07 0.100000E-04    0.993687E+00
  29    0.929861E-05    0.320244E+03 -0.290360E-07 0.100000E-04    0.979318E+00
  30   -0.247655E-04    0.312687E+03  0.792023E-07 0.100000E-04    0.999129E+00
  31   -0.142898E-04    0.303966E+03  0.470113E-07 0.100000E-04    0.996544E+00
  32   -0.615637E-05    0.288574E+03  0.213338E-07 0.100000E-04    0.991711E+00
  33    0.117040E-04    0.278790E+03 -0.419815E-07 0.100000E-04    0.993358E+00
  34    0.102159E-04    0.270759E+03 -0.377305E-07 0.100000E-04    0.991034E+00
  35    0.238314E-04    0.266871E+03 -0.892992E-07 0.100000E-04    0.999190E+00
  36    0.171689E-04    0.264218E+03 -0.649802E-07 0.100000E-04    0.995916E+00
  37   -0.178244E-04    0.259571E+03  0.686686E-07 0.100000E-04    0.996755E+00
  38   -0.106499E-05    0.253910E+03  0.419435E-08 0.100000E-04    0.953970E+00
  39   -0.191244E-04    0.242269E+03  0.789385E-07 0.100000E-04    0.997341E+00
  40   -0.100864E-04    0.238239E+03  0.423375E-07 0.100000E-04    0.978792E+00
  41   -0.379284E-04    0.235088E+03  0.161337E-06 0.100000E-04    0.997071E+00
  42   -0.116000E-04    0.228515E+03  0.507623E-07 0.100000E-04    0.995419E+00
  43   -0.137583E-04    0.220204E+03  0.624798E-07 0.100000E-04    0.996753E+00
  44   -0.243761E-04    0.213754E+03  0.114038E-06 0.100000E-04    0.996149E+00
  45    0.817217E-06    0.212292E+03 -0.384950E-08 0.100000E-04    0.913228E+00
  46    0.237268E-04    0.207369E+03 -0.114419E-06 0.100000E-04    0.995925E+00
  47   -0.297943E-04    0.203550E+03  0.146374E-06 0.100000E-04    0.999495E+00
  48    0.469813E-05    0.197520E+03 -0.237856E-07 0.100000E-04    0.992498E+00
  49   -0.242518E-04    0.195279E+03  0.124190E-06 0.100000E-04    0.998904E+00
  50    0.946735E-05    0.191528E+03 -0.494305E-07 0.100000E-04    0.987972E+00
  51   -0.157624E-04    0.184296E+03  0.855276E-07 0.100000E-04    0.999860E+00
  52   -0.317967E-05    0.175104E+03  0.181587E-07 0.100000E-04    0.995041E+00
  53    0.126821E-04    0.171838E+03 -0.738027E-07 0.100000E-04    0.997013E+00
  54    0.169408E-04    0.167551E+03 -0.101109E-06 0.100000E-04    0.997367E+00
  55    0.201369E-04    0.165045E+03 -0.122008E-06 0.100000E-04    0.999152E+00
  56   -0.591645E-05    0.159023E+03  0.372050E-07 0.100000E-04    0.992495E+00
  57    0.989278E-05    0.153953E+03 -0.642584E-07 0.100000E-04    0.994128E+00
  58    0.236922E-04    0.151323E+03 -0.156567E-06 0.100000E-04    0.997825E+00
  59   -0.923903E-06    0.148671E+03  0.621440E-08 0.100000E-04    0.880022E+00
  60    0.219783E-04    0.143265E+03 -0.153410E-06 0.100000E-04    0.999300E+00
  61   -0.267929E-04    0.137105E+03  0.195418E-06 0.100000E-04    0.992287E+00
  62    0.300029E-04    0.135811E+03 -0.220917E-06 0.100000E-04    0.999710E+00
  63   -0.229896E-04    0.130672E+03  0.175934E-06 0.100000E-04    0.996042E+00
  64   -0.253385E-04    0.128044E+03  0.197888E-06 0.100000E-04    0.994512E+00
  65    0.173828E-04    0.126105E+03 -0.137844E-06 0.100000E-04    0.985881E+00
  66    0.216466E-04    0.125573E+03 -0.172383E-06 0.100000E-04    0.996590E+00
  67    0.688352E-05    0.119737E+03 -0.574889E-07 0.100000E-04    0.998180E+00
  68    0.915682E-05    0.118068E+03 -0.775558E-07 0.100000E-04    0.997994E+00
  69    0.561864E-05    0.117017E+03 -0.480155E-07 0.100000E-04    0.988839E+00
  70   -0.255482E-04    0.111040E+03  0.230081E-06 0.100000E-04    0.999914E+00
  71    0.552509E-05    0.107905E+03 -0.512034E-07 0.100000E-04    0.995454E+00
  72   -0.569268E-04    0.104766E+03  0.543369E-06 0.100000E-04    0.994297E+00
  73    0.273156E-04    0.103086E+03 -0.264979E-06 0.100000E-04    0.997708E+00
  74   -0.288909E-04    0.997813E+02  0.289542E-06 0.100000E-04    0.998430E+00
  75   -0.716141E-04    0.959155E+02  0.746638E-06 0.100000E-04    0.995930E+00
  76    0.682601E-05    0.948487E+02 -0.719673E-07 0.100000E-04    0.921404E+00
  77    0.589900E-04    0.929009E+02 -0.634978E-06 0.100000E-04    0.997366E+00
  78   -0.213421E-05    0.904869E+02  0.235858E-07 0.100000E-04    0.992011E+00
  79    0.101042E-04    0.897263E+02 -0.112611E-06 0.100000E-04    0.998560E+00
  80    0.216515E-04    0.849820E+02 -0.254777E-06 0.100000E-04    0.999109E+00
  81   -0.217295E-04    0.809143E+02  0.268549E-06 0.100000E-04    0.996838E+00
  82    0.172634E-05    0.798052E+02 -0.216319E-07 0.100000E-04    0.958437E+00
  83    0.157983E-04    0.782957E+02 -0.201777E-06 0.100000E-04    0.994147E+00
  84    0.395773E-04    0.727824E+02 -0.543776E-06 0.100000E-04    0.993129E+00
  85   -0.436822E-04    0.722028E+02  0.604993E-06 0.100000E-04    0.996623E+00
  86    0.278705E-05    0.682839E+02 -0.408156E-07 0.100000E-04    0.921405E+00
  87    0.429570E-04    0.665959E+02 -0.645039E-06 0.100000E-04    0.999159E+00
  88   -0.482838E-05    0.632125E+02  0.763834E-07 0.100000E-04    0.981339E+00
  89    0.512910E-04    0.601709E+02 -0.852422E-06 0.100000E-04    0.996792E+00
  90    0.370770E-04    0.597252E+02 -0.620794E-06 0.100000E-04    0.983134E+00
  91   -0.526865E-05    0.590680E+02  0.891963E-07 0.100000E-04    0.958599E+00
  92   -0.613959E-04    0.560362E+02  0.109565E-05 0.100000E-04    0.998764E+00
  93    0.286492E-04    0.527922E+02 -0.542679E-06 0.100000E-04    0.997397E+00
  94    0.470390E-04    0.522855E+02 -0.899655E-06 0.100000E-04    0.994565E+00
  95    0.236263E-04    0.500787E+02 -0.471784E-06 0.100000E-04    0.997155E+00
  96   -0.739951E-05    0.475545E+02  0.155600E-06 0.100000E-04    0.978283E+00
  97    0.418656E-04    0.428857E+02 -0.976214E-06 0.100000E-04    0.993354E+00
  98    0.427900E-04    0.403823E+02 -0.105962E-05 0.100000E-04    0.994689E+00
  99   -0.122120E-03    0.374087E+02  0.326448E-05 0.100000E-04    0.996205E+00
 100    0.100180E-03    0.361576E+02 -0.277066E-05 0.100000E-04    0.997000E+00
 101    0.199344E-04    0.346481E+02 -0.575338E-06 0.100000E-04    0.977299E+00
 102    0.991545E-04    0.288157E+02 -0.344099E-05 0.100000E-04    0.996635E+00
 103   -0.177064E-04    0.286564E+02  0.617888E-06 0.100000E-04    0.978312E+00
 104   -0.850947E-04    0.275136E+02  0.309282E-05 0.100000E-04    0.989191E+00
 105    0.571515E-04    0.229811E+02 -0.248689E-05 0.100000E-04    0.998614E+00
 106   -0.147787E-04    0.213986E+02  0.690640E-06 0.100000E-04    0.916689E+00
 107   -0.111671E-03    0.203906E+02  0.547657E-05 0.100000E-04    0.993098E+00
 108   -0.293763E-05    0.168152E+02  0.174701E-06 0.100000E-04    0.806564E+00
 109    0.728317E-04    0.137891E+02 -0.528181E-05 0.100000E-04    0.998828E+00
 110    0.616025E-02    0.122488E+02 -0.100000E-04 0.100000E-04    0.450928E+00
 111    0.361007E-02    0.988913E+01 -0.100000E-04 0.100000E-04    0.719036E+00
 112   -0.654166E-02    0.894749E+01  0.100000E-04 0.100000E-04    0.281722E+00
 113    0.210606E-01    0.715304E+01 -0.162523E-04 0.162523E-04    0.102767E+00
 114    0.650743E+00    0.423974E+01  0.400000E-03 0.400000E-03    0.563443E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1500314986    

 Beginning of optimization cycle  329.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3567142621
 potential> RMS force:                                               0.0611443245   |gradient|=.6528427377    
 Eigenvalues of the Hessian matrix:
   733.40648    673.58148    626.96109    604.15620    588.26830    571.45841 
   566.91319    482.92717    465.04301    461.30080    441.39168    429.67412 
   421.83371    407.96584    397.39160    388.82952    367.90229    361.74630 
   350.83968    336.18195    325.92802    321.44963    320.24825    312.66289 
   303.95378    288.58339    278.78439    270.76165    266.88025    264.22529 
   259.58539    253.91177    242.26506    238.25081    235.07596    228.51161 
   220.18361    213.76183    212.29771    207.36289    203.55144    197.51341 
   195.27578    191.52705    184.28551    175.09316    171.84354    167.55111 
   165.03841    159.01255    153.95821    151.32878    148.66329    143.26753 
   137.10787    135.81348    130.66990    128.04865    126.10753    125.57073 
   119.73833    118.06844    117.01876    111.03431    107.89621    104.76339 
   103.08613     99.77998     95.91004     94.84082     92.91339     90.49061 
    89.72201     84.98485     80.91416     79.80756     78.29445     72.78402 
    72.20745     68.28346     66.58325     63.20904     60.16262     59.72536 
    59.06846     56.03670     52.78883     52.28633     50.07751     47.55012 
    42.88471     40.38481     37.41297     36.16077     34.63622     28.81527 
    28.65517     27.50550     22.98282     21.39229     20.39529     16.81481 
    13.78953     12.24849      9.89053      8.94040      7.14674      4.23490 
overlap for current and previous eigenvector    109 is         0.9999996478
overlap for current and previous eigenvector    110 is         0.9999995077
overlap for current and previous eigenvector    111 is         0.9999978464
overlap for current and previous eigenvector    112 is         0.9999919265
overlap for current and previous eigenvector    113 is         0.9999939055
overlap for current and previous eigenvector    114 is         0.9999997224
J1,K1,R1,R2,RAT=   7   7   -0.6436771807E-02     2.006266156        0.9935632282    
FOB,PFOB,DIAG,PSTEP=   -0.4219766025E-05   -0.4192775781E-05     733.4064777        0.5717339041E-08
J1,K1,R1,R2,RAT=   8   8   -0.8353271519E-02     2.008327271        0.9916467285    
FOB,PFOB,DIAG,PSTEP=   -0.4752907628E-05   -0.4713533690E-05     673.5814780        0.6997809650E-08
J1,K1,R1,R2,RAT=   9   9   -0.3137051467E-01     2.031331867        0.9686294853    
FOB,PFOB,DIAG,PSTEP=   -0.1463571572E-06   -0.1419054250E-06     626.9610913        0.2263428611E-09
J1,K1,R1,R2,RAT=  10  10    0.8315270894E-02     1.991710158        0.9916847291    
FOB,PFOB,DIAG,PSTEP=    0.1998998722E-05    0.2015760100E-05     604.1562034       -0.3336445872E-08
J1,K1,R1,R2,RAT=  11  11   -0.6300952129E-02     2.006334582        0.9936990479    
FOB,PFOB,DIAG,PSTEP=   -0.1450616560E-05   -0.1441533678E-05     588.2682971        0.2450428564E-08
J1,K1,R1,R2,RAT= 109 109    0.4452665245E-02     1.995490760        0.9954907604    
FOB,PFOB,DIAG,PSTEP=    0.7250736522E-04    0.7283166943E-04     13.78953044       -0.5281813622E-05
J1,K1,R1,R2,RAT= 110 110   -0.5434975220         101.1314361        0.4565024780    
FOB,PFOB,DIAG,PSTEP=    0.6226821522E-02    0.6160251288E-02     12.24848899       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2864621614         72.71409111        0.7135378386    
FOB,PFOB,DIAG,PSTEP=    0.3581738559E-02    0.3610071187E-02     9.890531033       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8793640510         147.2187586        0.1206359490    
FOB,PFOB,DIAG,PSTEP=   -0.6620282861E-02   -0.6541664191E-02     8.940400789        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7572917231         363.3990710        0.2427082769    
FOB,PFOB,DIAG,PSTEP=    0.2114855211E-01    0.2106059196E-01     7.146736337       -0.1625230533E-04
J1,K1,R1,R2,RAT= 114 114    0.9943084742        -769.3032638        0.5691525846E-02
FOB,PFOB,DIAG,PSTEP=    0.6524268793        0.6507425599         4.234901568        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001     -0.00002      0.00000     -0.00002 
     0.00003     -0.00003      0.00002      0.00003     -0.00002     -0.00002 
    -0.00001     -0.00001      0.00001     -0.00003      0.00001     -0.00006 
     0.00003     -0.00003     -0.00007      0.00001     -0.00006     -0.00000 
    -0.00001      0.00002     -0.00002      0.00000      0.00002      0.00004 
    -0.00004      0.00000     -0.00004      0.00000      0.00005      0.00004 
    -0.00001     -0.00006      0.00003      0.00005      0.00002      0.00001 
    -0.00004     -0.00004      0.00012     -0.00010     -0.00002     -0.00010 
     0.00002      0.00009     -0.00006      0.00001      0.00011      0.00000 
     0.00007      0.00623      0.00358     -0.00662      0.02115      0.65243 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4259512408
 Log product of positive Hessian eigenvalues =          519.8196555725
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2349015680
 Unscaled step for mode    7=        0.0000000058
 Unscaled step for mode    8=        0.0000000071
 Unscaled step for mode    9=        0.0000000002
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000036
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000034
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000130
 Unscaled step for mode   17=       -0.0000000100
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000383
 Unscaled step for mode   20=       -0.0000000186
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=        0.0000000185
 Unscaled step for mode   23=       -0.0000000012
 Unscaled step for mode   24=        0.0000000047
 Unscaled step for mode   25=        0.0000000566
 Unscaled step for mode   26=        0.0000000967
 Unscaled step for mode   27=        0.0000000503
 Unscaled step for mode   28=       -0.0000000422
 Unscaled step for mode   29=       -0.0000000295
 Unscaled step for mode   30=        0.0000000793
 Unscaled step for mode   31=        0.0000000474
 Unscaled step for mode   32=        0.0000000214
 Unscaled step for mode   33=       -0.0000000420
 Unscaled step for mode   34=       -0.0000000379
 Unscaled step for mode   35=       -0.0000000894
 Unscaled step for mode   36=       -0.0000000652
 Unscaled step for mode   37=        0.0000000689
 Unscaled step for mode   38=        0.0000000040
 Unscaled step for mode   39=        0.0000000791
 Unscaled step for mode   40=        0.0000000430
 Unscaled step for mode   41=        0.0000001618
 Unscaled step for mode   42=        0.0000000510
 Unscaled step for mode   43=        0.0000000630
 Unscaled step for mode   44=        0.0000001147
 Unscaled step for mode   45=       -0.0000000036
 Unscaled step for mode   46=       -0.0000001150
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000240
 Unscaled step for mode   49=        0.0000001248
 Unscaled step for mode   50=       -0.0000000490
 Unscaled step for mode   51=        0.0000000860
 Unscaled step for mode   52=        0.0000000184
 Unscaled step for mode   53=       -0.0000000740
 Unscaled step for mode   54=       -0.0000001018
 Unscaled step for mode   55=       -0.0000001221
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=        0.0000000647
 Unscaled step for mode   58=        0.0000001569
 Unscaled step for mode   59=       -0.0000000063
 Unscaled step for mode   60=        0.0000001540
 Unscaled step for mode   61=       -0.0000001960
 Unscaled step for mode   62=        0.0000002204
 Unscaled step for mode   63=       -0.0000001754
 Unscaled step for mode   64=       -0.0000001991
 Unscaled step for mode   65=        0.0000001392
 Unscaled step for mode   66=        0.0000001710
 Unscaled step for mode   67=        0.0000000581
 Unscaled step for mode   68=        0.0000000776
 Unscaled step for mode   69=       -0.0000000480
 Unscaled step for mode   70=        0.0000002313
 Unscaled step for mode   71=       -0.0000000514
 Unscaled step for mode   72=        0.0000005447
 Unscaled step for mode   73=       -0.0000002657
 Unscaled step for mode   74=        0.0000002886
 Unscaled step for mode   75=        0.0000007499
 Unscaled step for mode   76=       -0.0000000666
 Unscaled step for mode   77=        0.0000006335
 Unscaled step for mode   78=        0.0000000261
 Unscaled step for mode   79=        0.0000001111
 Unscaled step for mode   80=       -0.0000002556
 Unscaled step for mode   81=        0.0000002690
 Unscaled step for mode   82=       -0.0000000242
 Unscaled step for mode   83=       -0.0000002033
 Unscaled step for mode   84=       -0.0000005449
 Unscaled step for mode   85=        0.0000006033
 Unscaled step for mode   86=       -0.0000000442
 Unscaled step for mode   87=        0.0000006462
 Unscaled step for mode   88=       -0.0000000770
 Unscaled step for mode   89=       -0.0000008503
 Unscaled step for mode   90=       -0.0000006262
 Unscaled step for mode   91=        0.0000000916
 Unscaled step for mode   92=        0.0000010982
 Unscaled step for mode   93=       -0.0000005375
 Unscaled step for mode   94=       -0.0000009003
 Unscaled step for mode   95=       -0.0000004662
 Unscaled step for mode   96=       -0.0000001549
 Unscaled step for mode   97=        0.0000009744
 Unscaled step for mode   98=        0.0000010628
 Unscaled step for mode   99=       -0.0000032627
 Unscaled step for mode  100=        0.0000027662
 Unscaled step for mode  101=        0.0000005759
 Unscaled step for mode  102=        0.0000034393
 Unscaled step for mode  103=       -0.0000006322
 Unscaled step for mode  104=       -0.0000030921
 Unscaled step for mode  105=        0.0000024994
 Unscaled step for mode  106=       -0.0000006668
 Unscaled step for mode  107=       -0.0000054854
 Unscaled step for mode  108=       -0.0000001656
 Unscaled step for mode  109=       -0.0000052581
 Unscaled step for mode  110=       -0.0005083745
 Unscaled step for mode  111=       -0.0003621381
 Unscaled step for mode  112=        0.0007404902
 Unscaled step for mode  113=       -0.0029591643
 Unscaled step for mode  114=        0.1505669239
 Largest modulus ratio of non-zero e/values=           173.1814697    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.917235E-16    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.845027E-15    0.100711E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.778023E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.319389E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.197867E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.486698E-15    0.973897E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.421977E-05    0.733406E+03  0.575365E-08 0.100000E-04    0.993563E+00
   8   -0.475291E-05    0.673581E+03  0.705617E-08 0.100000E-04    0.991647E+00
   9   -0.146357E-06    0.626961E+03  0.233439E-09 0.100000E-04    0.968629E+00
  10    0.199900E-05    0.604156E+03 -0.330874E-08 0.100000E-04    0.991685E+00
  11   -0.145062E-05    0.588268E+03  0.246591E-08 0.100000E-04    0.993699E+00
  12   -0.207599E-05    0.571458E+03  0.363280E-08 0.100000E-04    0.975567E+00
  13   -0.354224E-05    0.566913E+03  0.624830E-08 0.100000E-04    0.992234E+00
  14   -0.163371E-05    0.482927E+03  0.338293E-08 0.100000E-04    0.970599E+00
  15    0.184569E-05    0.465043E+03 -0.396885E-08 0.100000E-04    0.987557E+00
  16    0.597458E-05    0.461301E+03 -0.129516E-07 0.100000E-04    0.997899E+00
  17    0.441007E-05    0.441392E+03 -0.999129E-08 0.100000E-04    0.999011E+00
  18    0.502677E-05    0.429674E+03 -0.116990E-07 0.100000E-04    0.996508E+00
  19   -0.161643E-04    0.421834E+03  0.383190E-07 0.100000E-04    0.998096E+00
  20    0.759644E-05    0.407966E+03 -0.186203E-07 0.100000E-04    0.996325E+00
  21    0.712987E-05    0.397392E+03 -0.179417E-07 0.100000E-04    0.998123E+00
  22   -0.718803E-05    0.388830E+03  0.184863E-07 0.100000E-04    0.996762E+00
  23    0.444866E-06    0.367902E+03 -0.120920E-08 0.100000E-04    0.949505E+00
  24   -0.169714E-05    0.361746E+03  0.469152E-08 0.100000E-04    0.986733E+00
  25   -0.198455E-04    0.350840E+03  0.565657E-07 0.100000E-04    0.997130E+00
  26   -0.325064E-04    0.336182E+03  0.966930E-07 0.100000E-04    0.998506E+00
  27   -0.163929E-04    0.325928E+03  0.502960E-07 0.100000E-04    0.997368E+00
  28    0.135697E-04    0.321450E+03 -0.422141E-07 0.100000E-04    0.994952E+00
  29    0.943515E-05    0.320248E+03 -0.294620E-07 0.100000E-04    0.985316E+00
  30   -0.248047E-04    0.312663E+03  0.793337E-07 0.100000E-04    0.998418E+00
  31   -0.144010E-04    0.303954E+03  0.473790E-07 0.100000E-04    0.992217E+00
  32   -0.617069E-05    0.288583E+03  0.213827E-07 0.100000E-04    0.997675E+00
  33    0.117082E-04    0.278784E+03 -0.419973E-07 0.100000E-04    0.999643E+00
  34    0.102598E-04    0.270762E+03 -0.378925E-07 0.100000E-04    0.995695E+00
  35    0.238644E-04    0.266880E+03 -0.894199E-07 0.100000E-04    0.998615E+00
  36    0.172375E-04    0.264225E+03 -0.652379E-07 0.100000E-04    0.996007E+00
  37   -0.178799E-04    0.259585E+03  0.688788E-07 0.100000E-04    0.996884E+00
  38   -0.102654E-05    0.253912E+03  0.404289E-08 0.100000E-04    0.963883E+00
  39   -0.191511E-04    0.242265E+03  0.790501E-07 0.100000E-04    0.998604E+00
  40   -0.102564E-04    0.238251E+03  0.430486E-07 0.100000E-04    0.983155E+00
  41   -0.380464E-04    0.235076E+03  0.161847E-06 0.100000E-04    0.996887E+00
  42   -0.116624E-04    0.228512E+03  0.510365E-07 0.100000E-04    0.994615E+00
  43   -0.138647E-04    0.220184E+03  0.629689E-07 0.100000E-04    0.992266E+00
  44   -0.245203E-04    0.213762E+03  0.114708E-06 0.100000E-04    0.994085E+00
  45    0.761567E-06    0.212298E+03 -0.358726E-08 0.100000E-04    0.931847E+00
  46    0.238428E-04    0.207363E+03 -0.114981E-06 0.100000E-04    0.995111E+00
  47   -0.298184E-04    0.203551E+03  0.146491E-06 0.100000E-04    0.999192E+00
  48    0.473196E-05    0.197513E+03 -0.239577E-07 0.100000E-04    0.992799E+00
  49   -0.243676E-04    0.195276E+03  0.124786E-06 0.100000E-04    0.995223E+00
  50    0.938534E-05    0.191527E+03 -0.490027E-07 0.100000E-04    0.991338E+00
  51   -0.158447E-04    0.184286E+03  0.859790E-07 0.100000E-04    0.994778E+00
  52   -0.322633E-05    0.175093E+03  0.184264E-07 0.100000E-04    0.985325E+00
  53    0.127235E-04    0.171844E+03 -0.740410E-07 0.100000E-04    0.996738E+00
  54    0.170537E-04    0.167551E+03 -0.101782E-06 0.100000E-04    0.993336E+00
  55    0.201565E-04    0.165038E+03 -0.122132E-06 0.100000E-04    0.999027E+00
  56    0.586835E-05    0.159013E+03 -0.369050E-07 0.100000E-04    0.991870E+00
  57   -0.995806E-05    0.153958E+03  0.646803E-07 0.100000E-04    0.993401E+00
  58   -0.237393E-04    0.151329E+03  0.156873E-06 0.100000E-04    0.998010E+00
  59    0.943075E-06    0.148663E+03 -0.634370E-08 0.100000E-04    0.979248E+00
  60   -0.220637E-04    0.143268E+03  0.154004E-06 0.100000E-04    0.996116E+00
  61    0.268672E-04    0.137108E+03 -0.195957E-06 0.100000E-04    0.997227E+00
  62   -0.299309E-04    0.135813E+03  0.220382E-06 0.100000E-04    0.997556E+00
  63    0.229215E-04    0.130670E+03 -0.175416E-06 0.100000E-04    0.997039E+00
  64    0.254979E-04    0.128049E+03 -0.199127E-06 0.100000E-04    0.993708E+00
  65   -0.175519E-04    0.126108E+03  0.139182E-06 0.100000E-04    0.990270E+00
  66   -0.214705E-04    0.125571E+03  0.170984E-06 0.100000E-04    0.991868E+00
  67   -0.695783E-05    0.119738E+03  0.581086E-07 0.100000E-04    0.989205E+00
  68   -0.916385E-05    0.118068E+03  0.776147E-07 0.100000E-04    0.999232E+00
  69    0.562017E-05    0.117019E+03 -0.480279E-07 0.100000E-04    0.999727E+00
  70   -0.256866E-04    0.111034E+03  0.231340E-06 0.100000E-04    0.994582E+00
  71    0.554515E-05    0.107896E+03 -0.513934E-07 0.100000E-04    0.996368E+00
  72   -0.570599E-04    0.104763E+03  0.544655E-06 0.100000E-04    0.997662E+00
  73    0.273948E-04    0.103086E+03 -0.265746E-06 0.100000E-04    0.997100E+00
  74   -0.287991E-04    0.997800E+02  0.288626E-06 0.100000E-04    0.996823E+00
  75   -0.719228E-04    0.959100E+02  0.749899E-06 0.100000E-04    0.995689E+00
  76    0.631443E-05    0.948408E+02 -0.665793E-07 0.100000E-04    0.925049E+00
  77   -0.588644E-04    0.929134E+02  0.633540E-06 0.100000E-04    0.997600E+00
  78   -0.236275E-05    0.904906E+02  0.261104E-07 0.100000E-04    0.892919E+00
  79   -0.997130E-05    0.897220E+02  0.111135E-06 0.100000E-04    0.986850E+00
  80    0.217226E-04    0.849848E+02 -0.255605E-06 0.100000E-04    0.996717E+00
  81   -0.217676E-04    0.809142E+02  0.269021E-06 0.100000E-04    0.998244E+00
  82    0.192975E-05    0.798076E+02 -0.241800E-07 0.100000E-04    0.882176E+00
  83    0.159160E-04    0.782944E+02 -0.203284E-06 0.100000E-04    0.992549E+00
  84    0.396579E-04    0.727840E+02 -0.544870E-06 0.100000E-04    0.997966E+00
  85   -0.435640E-04    0.722075E+02  0.603318E-06 0.100000E-04    0.997166E+00
  86    0.301699E-05    0.682835E+02 -0.441834E-07 0.100000E-04    0.917494E+00
  87   -0.430263E-04    0.665833E+02  0.646203E-06 0.100000E-04    0.998386E+00
  88    0.486942E-05    0.632090E+02 -0.770368E-07 0.100000E-04    0.991500E+00
  89    0.511579E-04    0.601626E+02 -0.850328E-06 0.100000E-04    0.997405E+00
  90    0.374006E-04    0.597254E+02 -0.626210E-06 0.100000E-04    0.991272E+00
  91   -0.541097E-05    0.590685E+02  0.916051E-07 0.100000E-04    0.972986E+00
  92   -0.615415E-04    0.560367E+02  0.109824E-05 0.100000E-04    0.997628E+00
  93    0.283746E-04    0.527888E+02 -0.537512E-06 0.100000E-04    0.990413E+00
  94    0.470754E-04    0.522863E+02 -0.900338E-06 0.100000E-04    0.999226E+00
  95    0.233485E-04    0.500775E+02 -0.466247E-06 0.100000E-04    0.988239E+00
  96    0.736404E-05    0.475501E+02 -0.154869E-06 0.100000E-04    0.995207E+00
  97   -0.417873E-04    0.428847E+02  0.974410E-06 0.100000E-04    0.998130E+00
  98   -0.429220E-04    0.403848E+02  0.106283E-05 0.100000E-04    0.996915E+00
  99    0.122066E-03    0.374130E+02 -0.326267E-05 0.100000E-04    0.999330E+00
 100   -0.100028E-03    0.361608E+02  0.276620E-05 0.100000E-04    0.998301E+00
 101   -0.199455E-04    0.346362E+02  0.575857E-06 0.100000E-04    0.999441E+00
 102   -0.991037E-04    0.288153E+02  0.343928E-05 0.100000E-04    0.999488E+00
 103    0.181149E-04    0.286552E+02 -0.632168E-06 0.100000E-04    0.976932E+00
 104    0.850507E-04    0.275055E+02 -0.309213E-05 0.100000E-04    0.999483E+00
 105   -0.574433E-04    0.229828E+02  0.249940E-05 0.100000E-04    0.994894E+00
 106    0.142637E-04    0.213923E+02 -0.666768E-06 0.100000E-04    0.965142E+00
 107    0.111876E-03    0.203953E+02 -0.548538E-05 0.100000E-04    0.998162E+00
 108    0.278450E-05    0.168148E+02 -0.165598E-06 0.100000E-04    0.947871E+00
 109    0.725074E-04    0.137895E+02 -0.525815E-05 0.100000E-04    0.995491E+00
 110    0.622682E-02    0.122485E+02 -0.100000E-04 0.100000E-04    0.456502E+00
 111    0.358174E-02    0.989053E+01 -0.100000E-04 0.100000E-04    0.713538E+00
 112   -0.662028E-02    0.894040E+01  0.109000E-04 0.109000E-04    0.120636E+00
 113    0.211486E-01    0.714674E+01 -0.146417E-04 0.146417E-04    0.242708E+00
 114    0.652427E+00    0.423490E+01  0.400000E-03 0.400000E-03    0.569153E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1505669239    

 Beginning of optimization cycle  330.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3564534317
 potential> RMS force:                                               0.0613022047   |gradient|=.6545284366    
 Eigenvalues of the Hessian matrix:
   733.46905    673.59039    626.97324    604.14823    588.25854    571.50130 
   566.91901    482.95263    465.01974    461.29400    441.39314    429.66647 
   421.83781    407.97361    397.38654    388.82841    367.90959    361.73757 
   350.83231    336.16298    325.94068    321.44821    320.25255    312.63875 
   303.94179    288.59237    278.77925    270.76465    266.88906    264.23252 
   259.59962    253.91322    242.26070    238.26272    235.06346    228.50765 
   220.16287    213.76956    212.30377    207.35733    203.55279    197.50673 
   195.27245    191.52568    184.27542    175.08214    171.84924    167.55153 
   165.03139    159.00217    153.96325    151.33424    148.65530    143.26988 
   137.11038    135.81638    130.66831    128.05312    126.10991    125.56877 
   119.74016    118.06935    117.02034    111.02842    107.88785    104.76045 
   103.08665     99.77865     95.90473     94.83283     92.92588     90.49434 
    89.71768     84.98773     80.91398     79.80988     78.29323     72.78570 
    72.21219     68.28306     66.57068     63.20556     60.15444     59.72551 
    59.06892     56.03726     52.78548     52.28715     50.07630     47.54574 
    42.88378     40.38735     37.41730     36.16407     34.62436     28.81484 
    28.65395     27.49738     22.98451     21.38599     20.39998     16.81440 
    13.78993     12.24820      9.89193      8.93338      7.14040      4.23005 
overlap for current and previous eigenvector    109 is        -0.9999996528
overlap for current and previous eigenvector    110 is         0.9999995116
overlap for current and previous eigenvector    111 is         0.9999979591
overlap for current and previous eigenvector    112 is        -0.9999920792
overlap for current and previous eigenvector    113 is        -0.9999939450
overlap for current and previous eigenvector    114 is        -0.9999997239
J1,K1,R1,R2,RAT=   7   7   -0.7838172327E-02     2.007667562        0.9921618277    
FOB,PFOB,DIAG,PSTEP=   -0.4252844100E-05   -0.4219766025E-05     733.4690462        0.5753652515E-08
J1,K1,R1,R2,RAT=   8   8    0.8495077675E-03     1.999124036        0.9991240357    
FOB,PFOB,DIAG,PSTEP=   -0.4748869943E-05   -0.4752907628E-05     673.5903885        0.7056173281E-08
J1,K1,R1,R2,RAT=   9   9   -0.1012422971         2.101203541        0.8987577029    
FOB,PFOB,DIAG,PSTEP=   -0.1611749792E-06   -0.1463571572E-06     626.9732409        0.2334389793E-09
J1,K1,R1,R2,RAT=  10  10   -0.1621340698E-01     2.016239809        0.9837865930    
FOB,PFOB,DIAG,PSTEP=    0.2031408874E-05    0.1998998722E-05     604.1482279       -0.3308744842E-08
J1,K1,R1,R2,RAT=  11  11   -0.2660163898E-02     2.002693351        0.9973398361    
FOB,PFOB,DIAG,PSTEP=   -0.1454475373E-05   -0.1450616560E-05     588.2585356        0.2465909801E-08
J1,K1,R1,R2,RAT= 109 109     2.001094669       -0.1152106144E-02    0.9988478939    
FOB,PFOB,DIAG,PSTEP=   -0.7259090380E-04    0.7250736522E-04     13.78992646       -0.5258146066E-05
J1,K1,R1,R2,RAT= 110 110   -0.5539704130         102.2312988        0.4460295870    
FOB,PFOB,DIAG,PSTEP=    0.6294672929E-02    0.6226821522E-02     12.24820050       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2846857310         72.13271270        0.7153142690    
FOB,PFOB,DIAG,PSTEP=    0.3553577650E-02    0.3581738559E-02     9.891928283       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     136.6926524       -0.7160678470        0.2839321530    
FOB,PFOB,DIAG,PSTEP=    0.6690009156E-02   -0.6620282861E-02     8.933382204        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     405.5095515       -0.9375117182        0.6248828178E-01
FOB,PFOB,DIAG,PSTEP=   -0.2124656687E-01    0.2114855211E-01     7.140403864       -0.1464171651E-04
J1,K1,R1,R2,RAT= 114 114    -772.1757350        0.9943082712        0.5691728822E-02
FOB,PFOB,DIAG,PSTEP=   -0.6541092680        0.6524268793         4.230047929        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
    -0.00002      0.00001      0.00001     -0.00002     -0.00000      0.00002 
     0.00003     -0.00003      0.00002      0.00003      0.00002      0.00002 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001     -0.00006 
     0.00003     -0.00003     -0.00007      0.00001      0.00006      0.00000 
     0.00001      0.00002     -0.00002      0.00000      0.00002      0.00004 
    -0.00004      0.00000     -0.00004      0.00000     -0.00005     -0.00004 
     0.00001      0.00006     -0.00003     -0.00005     -0.00002     -0.00001 
     0.00004      0.00004     -0.00012     -0.00010     -0.00002      0.00010 
     0.00002     -0.00009     -0.00006      0.00002      0.00011      0.00000 
    -0.00007      0.00629      0.00355      0.00669     -0.02125     -0.65411 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4257984069
 Log product of positive Hessian eigenvalues =          519.8158970621
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2300479286
 Unscaled step for mode    7=        0.0000000058
 Unscaled step for mode    8=        0.0000000071
 Unscaled step for mode    9=        0.0000000003
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000037
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000033
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000130
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000384
 Unscaled step for mode   20=       -0.0000000186
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=        0.0000000186
 Unscaled step for mode   23=       -0.0000000012
 Unscaled step for mode   24=        0.0000000048
 Unscaled step for mode   25=        0.0000000567
 Unscaled step for mode   26=        0.0000000969
 Unscaled step for mode   27=        0.0000000504
 Unscaled step for mode   28=       -0.0000000425
 Unscaled step for mode   29=       -0.0000000301
 Unscaled step for mode   30=        0.0000000793
 Unscaled step for mode   31=        0.0000000475
 Unscaled step for mode   32=        0.0000000216
 Unscaled step for mode   33=       -0.0000000423
 Unscaled step for mode   34=       -0.0000000382
 Unscaled step for mode   35=       -0.0000000893
 Unscaled step for mode   36=       -0.0000000655
 Unscaled step for mode   37=        0.0000000691
 Unscaled step for mode   38=        0.0000000038
 Unscaled step for mode   39=        0.0000000793
 Unscaled step for mode   40=        0.0000000439
 Unscaled step for mode   41=        0.0000001623
 Unscaled step for mode   42=        0.0000000513
 Unscaled step for mode   43=        0.0000000632
 Unscaled step for mode   44=        0.0000001151
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001155
 Unscaled step for mode   47=        0.0000001464
 Unscaled step for mode   48=       -0.0000000241
 Unscaled step for mode   49=        0.0000001249
 Unscaled step for mode   50=       -0.0000000496
 Unscaled step for mode   51=        0.0000000860
 Unscaled step for mode   52=        0.0000000185
 Unscaled step for mode   53=       -0.0000000743
 Unscaled step for mode   54=       -0.0000001020
 Unscaled step for mode   55=        0.0000001222
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=       -0.0000000651
 Unscaled step for mode   58=        0.0000001572
 Unscaled step for mode   59=        0.0000000070
 Unscaled step for mode   60=       -0.0000001541
 Unscaled step for mode   61=       -0.0000001974
 Unscaled step for mode   62=        0.0000002203
 Unscaled step for mode   63=       -0.0000001761
 Unscaled step for mode   64=       -0.0000002002
 Unscaled step for mode   65=       -0.0000001411
 Unscaled step for mode   66=       -0.0000001704
 Unscaled step for mode   67=        0.0000000582
 Unscaled step for mode   68=       -0.0000000778
 Unscaled step for mode   69=        0.0000000486
 Unscaled step for mode   70=        0.0000002313
 Unscaled step for mode   71=       -0.0000000516
 Unscaled step for mode   72=        0.0000005477
 Unscaled step for mode   73=       -0.0000002663
 Unscaled step for mode   74=        0.0000002891
 Unscaled step for mode   75=        0.0000007529
 Unscaled step for mode   76=       -0.0000000604
 Unscaled step for mode   77=       -0.0000006319
 Unscaled step for mode   78=       -0.0000000263
 Unscaled step for mode   79=       -0.0000001113
 Unscaled step for mode   80=       -0.0000002554
 Unscaled step for mode   81=        0.0000002699
 Unscaled step for mode   82=       -0.0000000251
 Unscaled step for mode   83=       -0.0000002021
 Unscaled step for mode   84=       -0.0000005486
 Unscaled step for mode   85=        0.0000006052
 Unscaled step for mode   86=       -0.0000000471
 Unscaled step for mode   87=        0.0000006469
 Unscaled step for mode   88=       -0.0000000785
 Unscaled step for mode   89=        0.0000008471
 Unscaled step for mode   90=        0.0000006369
 Unscaled step for mode   91=       -0.0000000953
 Unscaled step for mode   92=       -0.0000010969
 Unscaled step for mode   93=        0.0000005360
 Unscaled step for mode   94=        0.0000009052
 Unscaled step for mode   95=        0.0000004676
 Unscaled step for mode   96=        0.0000001514
 Unscaled step for mode   97=       -0.0000009808
 Unscaled step for mode   98=       -0.0000010683
 Unscaled step for mode   99=        0.0000032743
 Unscaled step for mode  100=        0.0000027581
 Unscaled step for mode  101=        0.0000005888
 Unscaled step for mode  102=       -0.0000034507
 Unscaled step for mode  103=       -0.0000006452
 Unscaled step for mode  104=        0.0000031261
 Unscaled step for mode  105=        0.0000025028
 Unscaled step for mode  106=       -0.0000007203
 Unscaled step for mode  107=       -0.0000054481
 Unscaled step for mode  108=       -0.0000001240
 Unscaled step for mode  109=        0.0000052641
 Unscaled step for mode  110=       -0.0005139262
 Unscaled step for mode  111=       -0.0003592401
 Unscaled step for mode  112=       -0.0007488771
 Unscaled step for mode  113=        0.0029755150
 Unscaled step for mode  114=       -0.1511033697
 Largest modulus ratio of non-zero e/values=           173.3949730    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.627536E-15    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.113570E-14    0.100711E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.187779E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.313678E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.553377E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.308483E-15    0.973898E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.425284E-05    0.733469E+03  0.579826E-08 0.100000E-04    0.992162E+00
   8   -0.474887E-05    0.673590E+03  0.705009E-08 0.100000E-04    0.999124E+00
   9   -0.161175E-06    0.626973E+03  0.257068E-09 0.100000E-04    0.898758E+00
  10    0.203141E-05    0.604148E+03 -0.336243E-08 0.100000E-04    0.983787E+00
  11   -0.145448E-05    0.588259E+03  0.247251E-08 0.100000E-04    0.997340E+00
  12   -0.209705E-05    0.571501E+03  0.366938E-08 0.100000E-04    0.989856E+00
  13   -0.352102E-05    0.566919E+03  0.621079E-08 0.100000E-04    0.993987E+00
  14   -0.160796E-05    0.482953E+03  0.332943E-08 0.100000E-04    0.984132E+00
  15    0.182613E-05    0.465020E+03 -0.392698E-08 0.100000E-04    0.989401E+00
  16    0.600835E-05    0.461294E+03 -0.130250E-07 0.100000E-04    0.994347E+00
  17    0.443930E-05    0.441393E+03 -0.100575E-07 0.100000E-04    0.993373E+00
  18    0.501687E-05    0.429666E+03 -0.116762E-07 0.100000E-04    0.998031E+00
  19   -0.162192E-04    0.421838E+03  0.384489E-07 0.100000E-04    0.996601E+00
  20    0.758906E-05    0.407974E+03 -0.186018E-07 0.100000E-04    0.998991E+00
  21    0.713188E-05    0.397387E+03 -0.179470E-07 0.100000E-04    0.999717E+00
  22   -0.724425E-05    0.388828E+03  0.186310E-07 0.100000E-04    0.992178E+00
  23    0.437725E-06    0.367910E+03 -0.118976E-08 0.100000E-04    0.983907E+00
  24   -0.173699E-05    0.361738E+03  0.480181E-08 0.100000E-04    0.976517E+00
  25   -0.198879E-04    0.350832E+03  0.566879E-07 0.100000E-04    0.997861E+00
  26   -0.325888E-04    0.336163E+03  0.969434E-07 0.100000E-04    0.997467E+00
  27   -0.164120E-04    0.325941E+03  0.503528E-07 0.100000E-04    0.998831E+00
  28    0.136501E-04    0.321448E+03 -0.424644E-07 0.100000E-04    0.994074E+00
  29    0.962853E-05    0.320253E+03 -0.300654E-07 0.100000E-04    0.979505E+00
  30   -0.247821E-04    0.312639E+03  0.792674E-07 0.100000E-04    0.999087E+00
  31   -0.144507E-04    0.303942E+03  0.475441E-07 0.100000E-04    0.996554E+00
  32   -0.622119E-05    0.288592E+03  0.215570E-07 0.100000E-04    0.991817E+00
  33    0.117852E-04    0.278779E+03 -0.422742E-07 0.100000E-04    0.993423E+00
  34    0.103510E-04    0.270765E+03 -0.382286E-07 0.100000E-04    0.991120E+00
  35    0.238465E-04    0.266889E+03 -0.893498E-07 0.100000E-04    0.999184E+00
  36    0.173064E-04    0.264233E+03 -0.654968E-07 0.100000E-04    0.996004E+00
  37   -0.179371E-04    0.259600E+03  0.690953E-07 0.100000E-04    0.996803E+00
  38   -0.974655E-06    0.253913E+03  0.383854E-08 0.100000E-04    0.949448E+00
  39   -0.192014E-04    0.242261E+03  0.792593E-07 0.100000E-04    0.997371E+00
  40   -0.104637E-04    0.238263E+03  0.439168E-07 0.100000E-04    0.979782E+00
  41   -0.381561E-04    0.235063E+03  0.162323E-06 0.100000E-04    0.997117E+00
  42   -0.117157E-04    0.228508E+03  0.512706E-07 0.100000E-04    0.995431E+00
  43   -0.139093E-04    0.220163E+03  0.631775E-07 0.100000E-04    0.996782E+00
  44   -0.246148E-04    0.213770E+03  0.115146E-06 0.100000E-04    0.996147E+00
  45    0.826894E-06    0.212304E+03 -0.389486E-08 0.100000E-04    0.914222E+00
  46    0.239395E-04    0.207357E+03 -0.115451E-06 0.100000E-04    0.995944E+00
  47   -0.298025E-04    0.203553E+03  0.146411E-06 0.100000E-04    0.999452E+00
  48    0.476723E-05    0.197507E+03 -0.241370E-07 0.100000E-04    0.992548E+00
  49   -0.243942E-04    0.195272E+03  0.124924E-06 0.100000E-04    0.998907E+00
  50    0.949706E-05    0.191526E+03 -0.495863E-07 0.100000E-04    0.988097E+00
  51   -0.158470E-04    0.184275E+03  0.859962E-07 0.100000E-04    0.999855E+00
  52   -0.324263E-05    0.175082E+03  0.185206E-07 0.100000E-04    0.994947E+00
  53    0.127613E-04    0.171849E+03 -0.742585E-07 0.100000E-04    0.997029E+00
  54    0.170982E-04    0.167552E+03 -0.102047E-06 0.100000E-04    0.997393E+00
  55   -0.201737E-04    0.165031E+03  0.122241E-06 0.100000E-04    0.999148E+00
  56    0.591197E-05    0.159002E+03 -0.371817E-07 0.100000E-04    0.992566E+00
  57    0.100162E-04    0.153963E+03 -0.650559E-07 0.100000E-04    0.994160E+00
  58   -0.237899E-04    0.151334E+03  0.157201E-06 0.100000E-04    0.997870E+00
  59   -0.104126E-05    0.148655E+03  0.700453E-08 0.100000E-04    0.895883E+00
  60    0.220793E-04    0.143270E+03 -0.154110E-06 0.100000E-04    0.999292E+00
  61    0.270716E-04    0.137110E+03 -0.197444E-06 0.100000E-04    0.992393E+00
  62   -0.299212E-04    0.135816E+03  0.220307E-06 0.100000E-04    0.999636E+00
  63    0.230105E-04    0.130668E+03 -0.176099E-06 0.100000E-04    0.996118E+00
  64    0.256368E-04    0.128053E+03 -0.200205E-06 0.100000E-04    0.994551E+00
  65    0.177880E-04    0.126110E+03 -0.141052E-06 0.100000E-04    0.986551E+00
  66    0.213948E-04    0.125569E+03 -0.170383E-06 0.100000E-04    0.996470E+00
  67   -0.697112E-05    0.119740E+03  0.582187E-07 0.100000E-04    0.998090E+00
  68    0.918166E-05    0.118069E+03 -0.777650E-07 0.100000E-04    0.998057E+00
  69   -0.568193E-05    0.117020E+03  0.485551E-07 0.100000E-04    0.989011E+00
  70   -0.256841E-04    0.111028E+03  0.231329E-06 0.100000E-04    0.999902E+00
  71    0.556997E-05    0.107888E+03 -0.516274E-07 0.100000E-04    0.995524E+00
  72   -0.573820E-04    0.104760E+03  0.547745E-06 0.100000E-04    0.994354E+00
  73    0.274564E-04    0.103087E+03 -0.266343E-06 0.100000E-04    0.997751E+00
  74   -0.288425E-04    0.997786E+02  0.289065E-06 0.100000E-04    0.998493E+00
  75   -0.722043E-04    0.959047E+02  0.752876E-06 0.100000E-04    0.996086E+00
  76    0.572483E-05    0.948328E+02 -0.603676E-07 0.100000E-04    0.906618E+00
  77    0.587195E-04    0.929259E+02 -0.631896E-06 0.100000E-04    0.997269E+00
  78    0.238221E-05    0.904943E+02 -0.263244E-07 0.100000E-04    0.991764E+00
  79    0.998668E-05    0.897177E+02 -0.111312E-06 0.100000E-04    0.998457E+00
  80    0.217038E-04    0.849877E+02 -0.255376E-06 0.100000E-04    0.999070E+00
  81   -0.218358E-04    0.809140E+02  0.269864E-06 0.100000E-04    0.996870E+00
  82    0.199961E-05    0.798099E+02 -0.250547E-07 0.100000E-04    0.963798E+00
  83    0.158230E-04    0.782932E+02 -0.202100E-06 0.100000E-04    0.994158E+00
  84    0.399292E-04    0.727857E+02 -0.548585E-06 0.100000E-04    0.993159E+00
  85   -0.437055E-04    0.722122E+02  0.605238E-06 0.100000E-04    0.996752E+00
  86    0.321931E-05    0.682831E+02 -0.471465E-07 0.100000E-04    0.932941E+00
  87   -0.430619E-04    0.665707E+02  0.646860E-06 0.100000E-04    0.999171E+00
  88    0.495944E-05    0.632056E+02 -0.784652E-07 0.100000E-04    0.981514E+00
  89   -0.509586E-04    0.601544E+02  0.847130E-06 0.100000E-04    0.996104E+00
  90   -0.380414E-04    0.597255E+02  0.636938E-06 0.100000E-04    0.982866E+00
  91    0.563008E-05    0.590689E+02 -0.953138E-07 0.100000E-04    0.959507E+00
  92    0.614649E-04    0.560373E+02 -0.109686E-05 0.100000E-04    0.998735E+00
  93   -0.282926E-04    0.527855E+02  0.535992E-06 0.100000E-04    0.997110E+00
  94   -0.473284E-04    0.522872E+02  0.905164E-06 0.100000E-04    0.994625E+00
  95   -0.234141E-04    0.500763E+02  0.467569E-06 0.100000E-04    0.997188E+00
  96   -0.719839E-05    0.475457E+02  0.151399E-06 0.100000E-04    0.977503E+00
  97    0.420620E-04    0.428838E+02 -0.980837E-06 0.100000E-04    0.993426E+00
  98    0.431477E-04    0.403873E+02 -0.106835E-05 0.100000E-04    0.994742E+00
  99   -0.122516E-03    0.374173E+02  0.327432E-05 0.100000E-04    0.996313E+00
 100   -0.997457E-04    0.361641E+02  0.275814E-05 0.100000E-04    0.996997E+00
 101   -0.203857E-04    0.346244E+02  0.588767E-06 0.100000E-04    0.977923E+00
 102    0.994316E-04    0.288148E+02 -0.345071E-05 0.100000E-04    0.996692E+00
 103    0.184871E-04    0.286539E+02 -0.645186E-06 0.100000E-04    0.979450E+00
 104   -0.859591E-04    0.274974E+02  0.312608E-05 0.100000E-04    0.989316E+00
 105   -0.575247E-04    0.229845E+02  0.250276E-05 0.100000E-04    0.998583E+00
 106    0.154044E-04    0.213860E+02 -0.720303E-06 0.100000E-04    0.920005E+00
 107    0.111141E-03    0.204000E+02 -0.544808E-05 0.100000E-04    0.992970E+00
 108    0.208424E-05    0.168144E+02 -0.123956E-06 0.100000E-04    0.748508E+00
 109   -0.725909E-04    0.137899E+02  0.526405E-05 0.100000E-04    0.998848E+00
 110    0.629467E-02    0.122482E+02 -0.100000E-04 0.100000E-04    0.446030E+00
 111    0.355358E-02    0.989193E+01 -0.100000E-04 0.100000E-04    0.715314E+00
 112    0.669001E-02    0.893338E+01 -0.100000E-04 0.100000E-04    0.283932E+00
 113   -0.212466E-01    0.714040E+01  0.159595E-04 0.159595E-04    0.624883E-01
 114   -0.654109E+00    0.423005E+01 -0.400000E-03 0.400000E-03    0.569173E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1511033697    

 Beginning of optimization cycle  331.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3561919533
 potential> RMS force:                                               0.0614598801   |gradient|=.6562119496    
 Eigenvalues of the Hessian matrix:
   733.53164    673.59913    626.98533    604.14036    588.24866    571.54434 
   566.92473    482.97807    464.99648    461.28726    441.39463    429.65893 
   421.84195    407.98140    397.38149    388.82733    367.91696    361.72885 
   350.82507    336.14423    325.95343    321.44683    320.25670    312.61473 
   303.92979    288.60142    278.77413    270.76779    266.89792    264.23974 
   259.61409    253.91469    242.25643    238.27474    235.05096    228.50370 
   220.14210    213.77733    212.30987    207.35187    203.55412    197.50003 
   195.26914    191.52427    184.26536    175.07115    171.85491    167.55203 
   165.02432    158.99173    153.96832    151.33971    148.64722    143.27220 
   137.11294    135.81926    130.66667    128.05762    126.11233    125.56669 
   119.74198    118.07023    117.02186    111.02253    107.87948    104.75748 
   103.08714     99.77731     95.89950     94.82467     92.93837     90.49811 
    89.71326     84.99061     80.91379     79.81222     78.29201     72.78737 
    72.21689     68.28257     66.55809     63.20201     60.14629     59.72558 
    59.06931     56.03777     52.78211     52.28796     50.07510     47.54130 
    42.88288     40.38987     37.42160     36.16724     34.61245     28.81440 
    28.65272     27.48924     22.98624     21.37969     20.40462     16.81396 
    13.79032     12.24792      9.89334      8.92638      7.13401      4.22518 
overlap for current and previous eigenvector    109 is         0.9999996521
overlap for current and previous eigenvector    110 is         0.9999995116
overlap for current and previous eigenvector    111 is         0.9999980181
overlap for current and previous eigenvector    112 is        -0.9999921209
overlap for current and previous eigenvector    113 is        -0.9999939261
overlap for current and previous eigenvector    114 is        -0.9999997244
J1,K1,R1,R2,RAT=   7   7   -0.6383278944E-02     2.006212626        0.9936167211    
FOB,PFOB,DIAG,PSTEP=   -0.4279993506E-05   -0.4252844100E-05     733.5316358        0.5798259819E-08
J1,K1,R1,R2,RAT=   8   8   -0.8246051596E-02     2.008220092        0.9917539484    
FOB,PFOB,DIAG,PSTEP=   -0.4788029878E-05   -0.4748869943E-05     673.5991316        0.7050085667E-08
J1,K1,R1,R2,RAT=   9   9   -0.2837602260E-01     2.028337452        0.9716239774    
FOB,PFOB,DIAG,PSTEP=   -0.1657485722E-06   -0.1611749792E-06     626.9853326        0.2570683542E-09
J1,K1,R1,R2,RAT=  10  10    0.8113188049E-02     1.991912866        0.9918868120    
FOB,PFOB,DIAG,PSTEP=    0.2014927886E-05    0.2031408874E-05     604.1403578       -0.3362434548E-08
J1,K1,R1,R2,RAT=  11  11   -0.6366868419E-02     2.006400446        0.9936331316    
FOB,PFOB,DIAG,PSTEP=   -0.1463735671E-05   -0.1454475373E-05     588.2486596        0.2472510444E-08
J1,K1,R1,R2,RAT= 109 109    0.4480883137E-02     1.995461761        0.9954617611    
FOB,PFOB,DIAG,PSTEP=   -0.7226562311E-04   -0.7259090380E-04     13.79032194        0.5264053002E-05
J1,K1,R1,R2,RAT= 110 110   -0.5484275881         103.3360589        0.4515724119    
FOB,PFOB,DIAG,PSTEP=    0.6361843896E-02    0.6294672929E-02     12.24791903       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2901083419         71.54767454        0.7098916581    
FOB,PFOB,DIAG,PSTEP=    0.3524876249E-02    0.3553577650E-02     9.893338874       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     150.7696140       -0.8766935743        0.1233064257    
FOB,PFOB,DIAG,PSTEP=   -0.6768266194E-02    0.6690009156E-02     8.926384433       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     374.0159720       -0.7944692158        0.2055307842    
FOB,PFOB,DIAG,PSTEP=    0.2133702116E-01   -0.2124656687E-01     7.134008313        0.1595947100E-04
J1,K1,R1,R2,RAT= 114 114    -775.0549413        0.9942508619        0.5749138143E-02
FOB,PFOB,DIAG,PSTEP=    0.6557896238       -0.6541092680         4.225180765       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001      0.00003      0.00001     -0.00006 
     0.00003     -0.00003      0.00007     -0.00001      0.00006      0.00000 
     0.00001      0.00002      0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004     -0.00000     -0.00004      0.00000     -0.00005     -0.00004 
     0.00001      0.00006     -0.00003     -0.00005      0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00001      0.00011     -0.00000 
    -0.00007      0.00636      0.00352     -0.00677      0.02134      0.65579 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4256489881
 Log product of positive Hessian eigenvalues =          519.8121125544
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2251807647
 Unscaled step for mode    7=        0.0000000058
 Unscaled step for mode    8=        0.0000000071
 Unscaled step for mode    9=        0.0000000003
 Unscaled step for mode   10=       -0.0000000033
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000038
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000032
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000131
 Unscaled step for mode   17=       -0.0000000100
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000385
 Unscaled step for mode   20=       -0.0000000185
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=        0.0000000187
 Unscaled step for mode   23=       -0.0000000012
 Unscaled step for mode   24=        0.0000000049
 Unscaled step for mode   25=        0.0000000569
 Unscaled step for mode   26=        0.0000000971
 Unscaled step for mode   27=        0.0000000505
 Unscaled step for mode   28=       -0.0000000427
 Unscaled step for mode   29=       -0.0000000305
 Unscaled step for mode   30=        0.0000000794
 Unscaled step for mode   31=        0.0000000479
 Unscaled step for mode   32=        0.0000000216
 Unscaled step for mode   33=       -0.0000000423
 Unscaled step for mode   34=       -0.0000000384
 Unscaled step for mode   35=       -0.0000000895
 Unscaled step for mode   36=       -0.0000000658
 Unscaled step for mode   37=        0.0000000693
 Unscaled step for mode   38=        0.0000000037
 Unscaled step for mode   39=        0.0000000794
 Unscaled step for mode   40=        0.0000000446
 Unscaled step for mode   41=        0.0000001628
 Unscaled step for mode   42=        0.0000000515
 Unscaled step for mode   43=        0.0000000637
 Unscaled step for mode   44=        0.0000001158
 Unscaled step for mode   45=       -0.0000000036
 Unscaled step for mode   46=       -0.0000001160
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000243
 Unscaled step for mode   49=        0.0000001255
 Unscaled step for mode   50=       -0.0000000492
 Unscaled step for mode   51=        0.0000000864
 Unscaled step for mode   52=        0.0000000188
 Unscaled step for mode   53=       -0.0000000745
 Unscaled step for mode   54=       -0.0000001027
 Unscaled step for mode   55=       -0.0000001224
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=        0.0000000655
 Unscaled step for mode   58=        0.0000001575
 Unscaled step for mode   59=       -0.0000000071
 Unscaled step for mode   60=       -0.0000001547
 Unscaled step for mode   61=        0.0000001980
 Unscaled step for mode   62=       -0.0000002198
 Unscaled step for mode   63=        0.0000001756
 Unscaled step for mode   64=        0.0000002014
 Unscaled step for mode   65=       -0.0000001423
 Unscaled step for mode   66=       -0.0000001690
 Unscaled step for mode   67=        0.0000000588
 Unscaled step for mode   68=        0.0000000778
 Unscaled step for mode   69=       -0.0000000486
 Unscaled step for mode   70=       -0.0000002326
 Unscaled step for mode   71=       -0.0000000518
 Unscaled step for mode   72=        0.0000005490
 Unscaled step for mode   73=       -0.0000002671
 Unscaled step for mode   74=        0.0000002881
 Unscaled step for mode   75=       -0.0000007560
 Unscaled step for mode   76=        0.0000000549
 Unscaled step for mode   77=       -0.0000006304
 Unscaled step for mode   78=       -0.0000000289
 Unscaled step for mode   79=       -0.0000001099
 Unscaled step for mode   80=       -0.0000002562
 Unscaled step for mode   81=       -0.0000002703
 Unscaled step for mode   82=        0.0000000276
 Unscaled step for mode   83=        0.0000002036
 Unscaled step for mode   84=        0.0000005497
 Unscaled step for mode   85=        0.0000006035
 Unscaled step for mode   86=        0.0000000505
 Unscaled step for mode   87=        0.0000006480
 Unscaled step for mode   88=       -0.0000000791
 Unscaled step for mode   89=        0.0000008445
 Unscaled step for mode   90=        0.0000006429
 Unscaled step for mode   91=       -0.0000000979
 Unscaled step for mode   92=       -0.0000010994
 Unscaled step for mode   93=        0.0000005308
 Unscaled step for mode   94=        0.0000009059
 Unscaled step for mode   95=       -0.0000004620
 Unscaled step for mode   96=        0.0000001506
 Unscaled step for mode   97=       -0.0000009791
 Unscaled step for mode   98=       -0.0000010715
 Unscaled step for mode   99=        0.0000032724
 Unscaled step for mode  100=       -0.0000027538
 Unscaled step for mode  101=       -0.0000005893
 Unscaled step for mode  102=       -0.0000034490
 Unscaled step for mode  103=        0.0000006592
 Unscaled step for mode  104=        0.0000031257
 Unscaled step for mode  105=        0.0000025153
 Unscaled step for mode  106=       -0.0000006974
 Unscaled step for mode  107=       -0.0000054567
 Unscaled step for mode  108=        0.0000001148
 Unscaled step for mode  109=        0.0000052403
 Unscaled step for mode  110=       -0.0005194223
 Unscaled step for mode  111=       -0.0003562878
 Unscaled step for mode  112=        0.0007582311
 Unscaled step for mode  113=       -0.0029908614
 Unscaled step for mode  114=        0.1516407988
 Largest modulus ratio of non-zero e/values=           173.6095274    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.592408E-15    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.144275E-14    0.100711E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.699297E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.998333E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.546994E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.468999E-15    0.973900E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.427999E-05    0.733532E+03  0.583478E-08 0.100000E-04    0.993617E+00
   8   -0.478803E-05    0.673599E+03  0.710813E-08 0.100000E-04    0.991754E+00
   9   -0.165749E-06    0.626985E+03  0.264358E-09 0.100000E-04    0.971624E+00
  10    0.201493E-05    0.604140E+03 -0.333520E-08 0.100000E-04    0.991887E+00
  11   -0.146374E-05    0.588249E+03  0.248829E-08 0.100000E-04    0.993633E+00
  12   -0.214637E-05    0.571544E+03  0.375538E-08 0.100000E-04    0.976488E+00
  13   -0.354798E-05    0.566925E+03  0.625829E-08 0.100000E-04    0.992343E+00
  14   -0.155862E-05    0.482978E+03  0.322710E-08 0.100000E-04    0.969211E+00
  15    0.184879E-05    0.464996E+03 -0.397592E-08 0.100000E-04    0.987588E+00
  16    0.602094E-05    0.461287E+03 -0.130525E-07 0.100000E-04    0.997905E+00
  17    0.443503E-05    0.441395E+03 -0.100478E-07 0.100000E-04    0.999031E+00
  18    0.503424E-05    0.429659E+03 -0.117168E-07 0.100000E-04    0.996537E+00
  19   -0.162500E-04    0.421842E+03  0.385215E-07 0.100000E-04    0.998102E+00
  20    0.756136E-05    0.407981E+03 -0.185336E-07 0.100000E-04    0.996312E+00
  21    0.711830E-05    0.397381E+03 -0.179130E-07 0.100000E-04    0.998095E+00
  22   -0.726749E-05    0.388827E+03  0.186908E-07 0.100000E-04    0.996792E+00
  23    0.458818E-06    0.367917E+03 -0.124707E-08 0.100000E-04    0.951812E+00
  24   -0.175951E-05    0.361729E+03  0.486416E-08 0.100000E-04    0.987038E+00
  25   -0.199446E-04    0.350825E+03  0.568505E-07 0.100000E-04    0.997151E+00
  26   -0.326366E-04    0.336144E+03  0.970911E-07 0.100000E-04    0.998531E+00
  27   -0.164545E-04    0.325953E+03  0.504810E-07 0.100000E-04    0.997414E+00
  28    0.137143E-04    0.321447E+03 -0.426643E-07 0.100000E-04    0.995298E+00
  29    0.977029E-05    0.320257E+03 -0.305077E-07 0.100000E-04    0.985278E+00
  30   -0.248196E-04    0.312615E+03  0.793936E-07 0.100000E-04    0.998484E+00
  31   -0.145619E-04    0.303930E+03  0.479119E-07 0.100000E-04    0.992304E+00
  32   -0.623565E-05    0.288601E+03  0.216064E-07 0.100000E-04    0.997676E+00
  33    0.117896E-04    0.278774E+03 -0.422910E-07 0.100000E-04    0.999621E+00
  34    0.103957E-04    0.270768E+03 -0.383934E-07 0.100000E-04    0.995678E+00
  35    0.238789E-04    0.266898E+03 -0.894684E-07 0.100000E-04    0.998640E+00
  36    0.173739E-04    0.264240E+03 -0.657506E-07 0.100000E-04    0.996098E+00
  37   -0.179922E-04    0.259614E+03  0.693038E-07 0.100000E-04    0.996926E+00
  38   -0.935406E-06    0.253915E+03  0.368394E-08 0.100000E-04    0.959718E+00
  39   -0.192282E-04    0.242256E+03  0.793711E-07 0.100000E-04    0.998608E+00
  40   -0.106318E-04    0.238275E+03  0.446198E-07 0.100000E-04    0.983942E+00
  41   -0.382731E-04    0.235051E+03  0.162829E-06 0.100000E-04    0.996935E+00
  42   -0.117785E-04    0.228504E+03  0.515461E-07 0.100000E-04    0.994643E+00
  43   -0.140155E-04    0.220142E+03  0.636657E-07 0.100000E-04    0.992368E+00
  44   -0.247587E-04    0.213777E+03  0.115815E-06 0.100000E-04    0.994154E+00
  45    0.773072E-06    0.212310E+03 -0.364124E-08 0.100000E-04    0.934854E+00
  46    0.240553E-04    0.207352E+03 -0.116012E-06 0.100000E-04    0.995165E+00
  47   -0.298244E-04    0.203554E+03  0.146518E-06 0.100000E-04    0.999264E+00
  48    0.480095E-05    0.197500E+03 -0.243086E-07 0.100000E-04    0.992926E+00
  49   -0.245094E-04    0.195269E+03  0.125516E-06 0.100000E-04    0.995280E+00
  50    0.941565E-05    0.191524E+03 -0.491616E-07 0.100000E-04    0.991428E+00
  51   -0.159285E-04    0.184265E+03  0.864431E-07 0.100000E-04    0.994858E+00
  52   -0.328957E-05    0.175071E+03  0.187899E-07 0.100000E-04    0.985522E+00
  53    0.128026E-04    0.171855E+03 -0.744963E-07 0.100000E-04    0.996765E+00
  54    0.172105E-04    0.167552E+03 -0.102717E-06 0.100000E-04    0.993432E+00
  55    0.201930E-04    0.165024E+03 -0.122364E-06 0.100000E-04    0.999041E+00
  56    0.586389E-05    0.158992E+03 -0.368818E-07 0.100000E-04    0.991867E+00
  57   -0.100817E-04    0.153968E+03  0.654793E-07 0.100000E-04    0.993458E+00
  58   -0.238364E-04    0.151340E+03  0.157502E-06 0.100000E-04    0.998047E+00
  59    0.106041E-05    0.148647E+03 -0.713373E-08 0.100000E-04    0.981609E+00
  60    0.221638E-04    0.143272E+03 -0.154697E-06 0.100000E-04    0.996172E+00
  61   -0.271458E-04    0.137113E+03  0.197982E-06 0.100000E-04    0.997257E+00
  62    0.298483E-04    0.135819E+03 -0.219765E-06 0.100000E-04    0.997521E+00
  63   -0.229420E-04    0.130667E+03  0.175577E-06 0.100000E-04    0.997024E+00
  64   -0.257960E-04    0.128058E+03  0.201440E-06 0.100000E-04    0.993793E+00
  65    0.179508E-04    0.126112E+03 -0.142340E-06 0.100000E-04    0.990847E+00
  66    0.212189E-04    0.125567E+03 -0.168985E-06 0.100000E-04    0.991778E+00
  67   -0.704510E-05    0.119742E+03  0.588357E-07 0.100000E-04    0.989387E+00
  68   -0.918866E-05    0.118070E+03  0.778237E-07 0.100000E-04    0.999237E+00
  69    0.568370E-05    0.117022E+03 -0.485696E-07 0.100000E-04    0.999689E+00
  70    0.258213E-04    0.111023E+03 -0.232577E-06 0.100000E-04    0.994658E+00
  71    0.558996E-05    0.107879E+03 -0.518167E-07 0.100000E-04    0.996411E+00
  72   -0.575163E-04    0.104757E+03  0.549043E-06 0.100000E-04    0.997659E+00
  73    0.275344E-04    0.103087E+03 -0.267099E-06 0.100000E-04    0.997157E+00
  74   -0.287507E-04    0.997773E+02  0.288149E-06 0.100000E-04    0.996817E+00
  75    0.725041E-04    0.958995E+02 -0.756042E-06 0.100000E-04    0.995849E+00
  76   -0.520622E-05    0.948247E+02  0.549036E-07 0.100000E-04    0.909403E+00
  77    0.585867E-04    0.929384E+02 -0.630382E-06 0.100000E-04    0.997471E+00
  78    0.261364E-05    0.904981E+02 -0.288806E-07 0.100000E-04    0.902855E+00
  79    0.985864E-05    0.897133E+02 -0.109891E-06 0.100000E-04    0.987179E+00
  80    0.217734E-04    0.849906E+02 -0.256186E-06 0.100000E-04    0.996794E+00
  81    0.218742E-04    0.809138E+02 -0.270339E-06 0.100000E-04    0.998241E+00
  82   -0.220265E-05    0.798122E+02  0.275979E-07 0.100000E-04    0.898465E+00
  83   -0.159396E-04    0.782920E+02  0.203591E-06 0.100000E-04    0.992636E+00
  84   -0.400121E-04    0.727874E+02  0.549712E-06 0.100000E-04    0.997923E+00
  85   -0.435844E-04    0.722169E+02  0.603521E-06 0.100000E-04    0.997098E+00
  86   -0.344740E-05    0.682826E+02  0.504873E-07 0.100000E-04    0.929147E+00
  87   -0.431304E-04    0.665581E+02  0.648012E-06 0.100000E-04    0.998409E+00
  88    0.499946E-05    0.632020E+02 -0.791029E-07 0.100000E-04    0.991929E+00
  89   -0.507947E-04    0.601463E+02  0.844520E-06 0.100000E-04    0.996783E+00
  90   -0.383968E-04    0.597256E+02  0.642887E-06 0.100000E-04    0.990659E+00
  91    0.578092E-05    0.590693E+02 -0.978666E-07 0.100000E-04    0.973210E+00
  92    0.616078E-04    0.560378E+02 -0.109940E-05 0.100000E-04    0.997675E+00
  93   -0.280152E-04    0.527821E+02  0.530770E-06 0.100000E-04    0.990194E+00
  94   -0.473657E-04    0.522880E+02  0.905862E-06 0.100000E-04    0.999213E+00
  95    0.231370E-04    0.500751E+02 -0.462046E-06 0.100000E-04    0.988162E+00
  96   -0.715918E-05    0.475413E+02  0.150589E-06 0.100000E-04    0.994552E+00
  97    0.419847E-04    0.428829E+02 -0.979056E-06 0.100000E-04    0.998163E+00
  98    0.432796E-04    0.403899E+02 -0.107154E-05 0.100000E-04    0.996945E+00
  99   -0.122459E-03    0.374216E+02  0.327242E-05 0.100000E-04    0.999304E+00
 100    0.995963E-04    0.361672E+02 -0.275377E-05 0.100000E-04    0.998327E+00
 101    0.203977E-04    0.346125E+02 -0.589316E-06 0.100000E-04    0.999412E+00
 102    0.993822E-04    0.288144E+02 -0.344905E-05 0.100000E-04    0.999503E+00
 103   -0.188890E-04    0.286527E+02  0.659239E-06 0.100000E-04    0.978261E+00
 104   -0.859218E-04    0.274892E+02  0.312565E-05 0.100000E-04    0.999566E+00
 105   -0.578184E-04    0.229862E+02  0.251535E-05 0.100000E-04    0.994894E+00
 106    0.149100E-04    0.213797E+02 -0.697392E-06 0.100000E-04    0.967898E+00
 107    0.111343E-03    0.204046E+02 -0.545675E-05 0.100000E-04    0.998181E+00
 108   -0.193018E-05    0.168140E+02  0.114796E-06 0.100000E-04    0.926082E+00
 109   -0.722656E-04    0.137903E+02  0.524031E-05 0.100000E-04    0.995462E+00
 110    0.636184E-02    0.122479E+02 -0.100000E-04 0.100000E-04    0.451572E+00
 111    0.352488E-02    0.989334E+01 -0.100000E-04 0.100000E-04    0.709892E+00
 112   -0.676827E-02    0.892638E+01  0.109000E-04 0.109000E-04    0.123306E+00
 113    0.213370E-01    0.713401E+01 -0.143779E-04 0.143779E-04    0.205531E+00
 114    0.655790E+00    0.422518E+01  0.400000E-03 0.400000E-03    0.574914E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1516407988    

 Beginning of optimization cycle  332.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3559297782
 potential> RMS force:                                               0.0616173977   |gradient|=.6578937769    
 Eigenvalues of the Hessian matrix:
   733.59423    673.60803    626.99746    604.13220    588.23891    571.58720 
   566.93044    483.00359    464.97322    461.28050    441.39614    429.65127 
   421.84600    407.98912    397.37644    388.82616    367.92433    361.72013 
   350.81768    336.12555    325.96620    321.44548    320.26065    312.59079 
   303.91766    288.61046    278.76899    270.77097    266.90671    264.24686 
   259.62843    253.91608    242.25207    238.28675    235.03840    228.49965 
   220.12135    213.78504    212.31596    207.34646    203.55539    197.49328 
   195.26578    191.52288    184.25528    175.06019    171.86057    167.55252 
   165.01722    158.98130    153.97336    151.34521    148.63916    143.27456 
   137.11551    135.82208    130.66510    128.06209    126.11482    125.56457 
   119.74380    118.07113    117.02343    111.01666    107.87121    104.75456 
   103.08762     99.77600     95.89441     94.81638     92.95083     90.50188 
    89.70883     84.99349     80.91360     79.81452     78.29080     72.78911 
    72.22164     68.28216     66.54555     63.19843     60.13830     59.72560 
    59.06972     56.03831     52.77880     52.28878     50.07391     47.53688 
    42.88200     40.39242     37.42593     36.17051     34.60058     28.81397 
    28.65149     27.48113     22.98796     21.37336     20.40929     16.81352 
    13.79072     12.24764      9.89475      8.91946      7.12758      4.22030 
overlap for current and previous eigenvector    109 is         0.9999996570
overlap for current and previous eigenvector    110 is         0.9999995155
overlap for current and previous eigenvector    111 is         0.9999981201
overlap for current and previous eigenvector    112 is         0.9999922658
overlap for current and previous eigenvector    113 is         0.9999939685
overlap for current and previous eigenvector    114 is         0.9999997259
J1,K1,R1,R2,RAT=   7   7   -0.7764079880E-02     2.007593435        0.9922359201    
FOB,PFOB,DIAG,PSTEP=   -0.4313226553E-05   -0.4279993506E-05     733.5942277        0.5834776985E-08
J1,K1,R1,R2,RAT=   8   8    0.7922582594E-03     1.999181332        0.9991813325    
FOB,PFOB,DIAG,PSTEP=   -0.4784236471E-05   -0.4788029878E-05     673.6080263        0.7108129529E-08
J1,K1,R1,R2,RAT=   9   9   -0.8909047155E-01     2.089051795        0.9109095285    
FOB,PFOB,DIAG,PSTEP=   -0.1805154762E-06   -0.1657485722E-06     626.9974578        0.2643579739E-09
J1,K1,R1,R2,RAT=  10  10   -0.1605360899E-01     2.016080625        0.9839463910    
FOB,PFOB,DIAG,PSTEP=    0.2047274314E-05    0.2014927886E-05     604.1321973       -0.3335198286E-08
J1,K1,R1,R2,RAT=  11  11   -0.2704715108E-02     2.002737856        0.9972952849    
FOB,PFOB,DIAG,PSTEP=   -0.1467694594E-05   -0.1463735671E-05     588.2389122        0.2488294104E-08
J1,K1,R1,R2,RAT= 109 109   -0.1133413232E-02     2.001075207        0.9988665868    
FOB,PFOB,DIAG,PSTEP=   -0.7234753231E-04   -0.7226562311E-04     13.79072329        0.5240314434E-05
J1,K1,R1,R2,RAT= 110 110   -0.5587880691         104.4456407        0.4412119309    
FOB,PFOB,DIAG,PSTEP=    0.6430282248E-02    0.6361843896E-02     12.24764007       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2883287653         70.95909840        0.7116712347    
FOB,PFOB,DIAG,PSTEP=    0.3496346848E-02    0.3524876249E-02     9.894746769       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7140022128         139.9471051        0.2859977872    
FOB,PFOB,DIAG,PSTEP=   -0.6837682977E-02   -0.6768266194E-02     8.919457226        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9782170444         417.3929443        0.2178295557E-01
FOB,PFOB,DIAG,PSTEP=    0.2143726851E-01    0.2133702116E-01     7.127581464       -0.1437790180E-04
J1,K1,R1,R2,RAT= 114 114    0.9942508424        -777.9410265        0.5749157606E-02
FOB,PFOB,DIAG,PSTEP=    0.6574680384        0.6557896238         4.220299539        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001     -0.00003      0.00001     -0.00006 
     0.00003     -0.00003      0.00007     -0.00000      0.00006      0.00000 
     0.00001      0.00002      0.00002      0.00000      0.00002      0.00004 
    -0.00004     -0.00000     -0.00004      0.00001     -0.00005     -0.00004 
     0.00001      0.00006     -0.00003     -0.00005      0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00002      0.00011     -0.00000 
    -0.00007      0.00643      0.00350     -0.00684      0.02144      0.65747 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4254939854
 Log product of positive Hessian eigenvalues =          519.8083359396
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2202995393
 Unscaled step for mode    7=        0.0000000059
 Unscaled step for mode    8=        0.0000000071
 Unscaled step for mode    9=        0.0000000003
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000038
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=        0.0000000032
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000131
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000387
 Unscaled step for mode   20=       -0.0000000185
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=        0.0000000188
 Unscaled step for mode   23=       -0.0000000012
 Unscaled step for mode   24=        0.0000000050
 Unscaled step for mode   25=        0.0000000570
 Unscaled step for mode   26=        0.0000000973
 Unscaled step for mode   27=        0.0000000505
 Unscaled step for mode   28=       -0.0000000429
 Unscaled step for mode   29=       -0.0000000311
 Unscaled step for mode   30=        0.0000000793
 Unscaled step for mode   31=        0.0000000481
 Unscaled step for mode   32=        0.0000000218
 Unscaled step for mode   33=       -0.0000000426
 Unscaled step for mode   34=       -0.0000000387
 Unscaled step for mode   35=       -0.0000000894
 Unscaled step for mode   36=       -0.0000000660
 Unscaled step for mode   37=        0.0000000695
 Unscaled step for mode   38=        0.0000000035
 Unscaled step for mode   39=        0.0000000796
 Unscaled step for mode   40=        0.0000000455
 Unscaled step for mode   41=        0.0000001633
 Unscaled step for mode   42=        0.0000000518
 Unscaled step for mode   43=        0.0000000639
 Unscaled step for mode   44=        0.0000001163
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001165
 Unscaled step for mode   47=        0.0000001464
 Unscaled step for mode   48=       -0.0000000245
 Unscaled step for mode   49=        0.0000001257
 Unscaled step for mode   50=       -0.0000000497
 Unscaled step for mode   51=        0.0000000865
 Unscaled step for mode   52=        0.0000000189
 Unscaled step for mode   53=       -0.0000000747
 Unscaled step for mode   54=       -0.0000001030
 Unscaled step for mode   55=       -0.0000001225
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=        0.0000000659
 Unscaled step for mode   58=        0.0000001578
 Unscaled step for mode   59=       -0.0000000078
 Unscaled step for mode   60=       -0.0000001548
 Unscaled step for mode   61=        0.0000001995
 Unscaled step for mode   62=       -0.0000002197
 Unscaled step for mode   63=        0.0000001762
 Unscaled step for mode   64=        0.0000002025
 Unscaled step for mode   65=       -0.0000001442
 Unscaled step for mode   66=       -0.0000001684
 Unscaled step for mode   67=        0.0000000590
 Unscaled step for mode   68=        0.0000000780
 Unscaled step for mode   69=       -0.0000000491
 Unscaled step for mode   70=        0.0000002326
 Unscaled step for mode   71=       -0.0000000520
 Unscaled step for mode   72=        0.0000005521
 Unscaled step for mode   73=       -0.0000002677
 Unscaled step for mode   74=        0.0000002886
 Unscaled step for mode   75=       -0.0000007589
 Unscaled step for mode   76=        0.0000000486
 Unscaled step for mode   77=       -0.0000006287
 Unscaled step for mode   78=       -0.0000000291
 Unscaled step for mode   79=       -0.0000001101
 Unscaled step for mode   80=       -0.0000002559
 Unscaled step for mode   81=       -0.0000002712
 Unscaled step for mode   82=       -0.0000000285
 Unscaled step for mode   83=       -0.0000002024
 Unscaled step for mode   84=       -0.0000005534
 Unscaled step for mode   85=        0.0000006054
 Unscaled step for mode   86=        0.0000000534
 Unscaled step for mode   87=        0.0000006487
 Unscaled step for mode   88=       -0.0000000806
 Unscaled step for mode   89=        0.0000008407
 Unscaled step for mode   90=        0.0000006541
 Unscaled step for mode   91=       -0.0000001017
 Unscaled step for mode   92=       -0.0000010980
 Unscaled step for mode   93=        0.0000005291
 Unscaled step for mode   94=        0.0000009107
 Unscaled step for mode   95=       -0.0000004633
 Unscaled step for mode   96=        0.0000001471
 Unscaled step for mode   97=       -0.0000009854
 Unscaled step for mode   98=       -0.0000010771
 Unscaled step for mode   99=        0.0000032838
 Unscaled step for mode  100=       -0.0000027457
 Unscaled step for mode  101=       -0.0000006022
 Unscaled step for mode  102=       -0.0000034603
 Unscaled step for mode  103=        0.0000006721
 Unscaled step for mode  104=        0.0000031596
 Unscaled step for mode  105=        0.0000025188
 Unscaled step for mode  106=       -0.0000007512
 Unscaled step for mode  107=       -0.0000054189
 Unscaled step for mode  108=        0.0000000734
 Unscaled step for mode  109=        0.0000052461
 Unscaled step for mode  110=       -0.0005250220
 Unscaled step for mode  111=       -0.0003533538
 Unscaled step for mode  112=        0.0007666026
 Unscaled step for mode  113=       -0.0030076225
 Unscaled step for mode  114=        0.1521792569
 Largest modulus ratio of non-zero e/values=           173.8251564    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.186700E-15    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.564002E-15    0.100711E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.369803E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.497866E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.102435E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.696925E-15    0.973902E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.431323E-05    0.733594E+03  0.587958E-08 0.100000E-04    0.992236E+00
   8   -0.478424E-05    0.673608E+03  0.710240E-08 0.100000E-04    0.999181E+00
   9   -0.180515E-06    0.626997E+03  0.287905E-09 0.100000E-04    0.910910E+00
  10    0.204727E-05    0.604132E+03 -0.338879E-08 0.100000E-04    0.983946E+00
  11   -0.146769E-05    0.588239E+03  0.249507E-08 0.100000E-04    0.997295E+00
  12   -0.216757E-05    0.571587E+03  0.379220E-08 0.100000E-04    0.990120E+00
  13   -0.352695E-05    0.566930E+03  0.622114E-08 0.100000E-04    0.994054E+00
  14   -0.153246E-05    0.483004E+03  0.317277E-08 0.100000E-04    0.983112E+00
  15    0.182960E-05    0.464973E+03 -0.393485E-08 0.100000E-04    0.989619E+00
  16    0.605455E-05    0.461280E+03 -0.131255E-07 0.100000E-04    0.994417E+00
  17    0.446391E-05    0.441396E+03 -0.101132E-07 0.100000E-04    0.993487E+00
  18    0.502444E-05    0.429651E+03 -0.116942E-07 0.100000E-04    0.998054E+00
  19   -0.163047E-04    0.421846E+03  0.386509E-07 0.100000E-04    0.996631E+00
  20    0.755347E-05    0.407989E+03 -0.185139E-07 0.100000E-04    0.998918E+00
  21    0.711983E-05    0.397376E+03 -0.179171E-07 0.100000E-04    0.999785E+00
  22   -0.732356E-05    0.388826E+03  0.188350E-07 0.100000E-04    0.992284E+00
  23    0.451549E-06    0.367924E+03 -0.122729E-08 0.100000E-04    0.984117E+00
  24   -0.179952E-05    0.361720E+03  0.497489E-08 0.100000E-04    0.977260E+00
  25   -0.199869E-04    0.350818E+03  0.569723E-07 0.100000E-04    0.997880E+00
  26   -0.327180E-04    0.336126E+03  0.973387E-07 0.100000E-04    0.997506E+00
  27   -0.164731E-04    0.325966E+03  0.505363E-07 0.100000E-04    0.998867E+00
  28    0.137902E-04    0.321445E+03 -0.429006E-07 0.100000E-04    0.994466E+00
  29    0.996863E-05    0.320261E+03 -0.311266E-07 0.100000E-04    0.979699E+00
  30   -0.247959E-04    0.312591E+03  0.793239E-07 0.100000E-04    0.999045E+00
  31   -0.146119E-04    0.303918E+03  0.480783E-07 0.100000E-04    0.996566E+00
  32   -0.628603E-05    0.288610E+03  0.217803E-07 0.100000E-04    0.991920E+00
  33    0.118664E-04    0.278769E+03 -0.425672E-07 0.100000E-04    0.993487E+00
  34    0.104871E-04    0.270771E+03 -0.387306E-07 0.100000E-04    0.991205E+00
  35    0.238609E-04    0.266907E+03 -0.893978E-07 0.100000E-04    0.999178E+00
  36    0.174418E-04    0.264247E+03 -0.660059E-07 0.100000E-04    0.996091E+00
  37   -0.180489E-04    0.259628E+03  0.695182E-07 0.100000E-04    0.996852E+00
  38   -0.883022E-06    0.253916E+03  0.347761E-08 0.100000E-04    0.943988E+00
  39   -0.192781E-04    0.242252E+03  0.795788E-07 0.100000E-04    0.997402E+00
  40   -0.108371E-04    0.238287E+03  0.454793E-07 0.100000E-04    0.980686E+00
  41   -0.383817E-04    0.235038E+03  0.163300E-06 0.100000E-04    0.997161E+00
  42   -0.118322E-04    0.228500E+03  0.517820E-07 0.100000E-04    0.995442E+00
  43   -0.140602E-04    0.220121E+03  0.638747E-07 0.100000E-04    0.996811E+00
  44   -0.248541E-04    0.213785E+03  0.116257E-06 0.100000E-04    0.996145E+00
  45    0.838502E-06    0.212316E+03 -0.394931E-08 0.100000E-04    0.915366E+00
  46    0.241523E-04    0.207346E+03 -0.116483E-06 0.100000E-04    0.995965E+00
  47   -0.298071E-04    0.203555E+03  0.146432E-06 0.100000E-04    0.999408E+00
  48    0.483648E-05    0.197493E+03 -0.244893E-07 0.100000E-04    0.992598E+00
  49   -0.245361E-04    0.195266E+03  0.125655E-06 0.100000E-04    0.998911E+00
  50    0.952656E-05    0.191523E+03 -0.497411E-07 0.100000E-04    0.988220E+00
  51   -0.159309E-04    0.184255E+03  0.864608E-07 0.100000E-04    0.999850E+00
  52   -0.330649E-05    0.175060E+03  0.188878E-07 0.100000E-04    0.994856E+00
  53    0.128404E-04    0.171861E+03 -0.747140E-07 0.100000E-04    0.997045E+00
  54    0.172549E-04    0.167553E+03 -0.102982E-06 0.100000E-04    0.997419E+00
  55    0.202103E-04    0.165017E+03 -0.122474E-06 0.100000E-04    0.999143E+00
  56    0.590708E-05    0.158981E+03 -0.371558E-07 0.100000E-04    0.992635E+00
  57   -0.101403E-04    0.153973E+03  0.658574E-07 0.100000E-04    0.994193E+00
  58   -0.238861E-04    0.151345E+03  0.157825E-06 0.100000E-04    0.997914E+00
  59    0.115783E-05    0.148639E+03 -0.778951E-08 0.100000E-04    0.908128E+00
  60    0.221797E-04    0.143275E+03 -0.154805E-06 0.100000E-04    0.999286E+00
  61   -0.273495E-04    0.137116E+03  0.199463E-06 0.100000E-04    0.992499E+00
  62    0.298365E-04    0.135822E+03 -0.219674E-06 0.100000E-04    0.999563E+00
  63   -0.230293E-04    0.130665E+03  0.176247E-06 0.100000E-04    0.996195E+00
  64   -0.259355E-04    0.128062E+03  0.202523E-06 0.100000E-04    0.994590E+00
  65    0.181808E-04    0.126115E+03 -0.144161E-06 0.100000E-04    0.987187E+00
  66    0.211417E-04    0.125565E+03 -0.168373E-06 0.100000E-04    0.996366E+00
  67   -0.705917E-05    0.119744E+03  0.589523E-07 0.100000E-04    0.998003E+00
  68   -0.920595E-05    0.118071E+03  0.779696E-07 0.100000E-04    0.998118E+00
  69    0.574521E-05    0.117023E+03 -0.490946E-07 0.100000E-04    0.989178E+00
  70   -0.258185E-04    0.111017E+03  0.232564E-06 0.100000E-04    0.999890E+00
  71    0.561460E-05    0.107871E+03 -0.520491E-07 0.100000E-04    0.995592E+00
  72   -0.578378E-04    0.104755E+03  0.552127E-06 0.100000E-04    0.994410E+00
  73    0.275952E-04    0.103088E+03 -0.267687E-06 0.100000E-04    0.997793E+00
  74   -0.287922E-04    0.997760E+02  0.288569E-06 0.100000E-04    0.998557E+00
  75    0.727765E-04    0.958944E+02 -0.758923E-06 0.100000E-04    0.996242E+00
  76   -0.461043E-05    0.948164E+02  0.486248E-07 0.100000E-04    0.885553E+00
  77    0.584366E-04    0.929508E+02 -0.628683E-06 0.100000E-04    0.997170E+00
  78    0.263541E-05    0.905019E+02 -0.291200E-07 0.100000E-04    0.991669E+00
  79    0.987477E-05    0.897088E+02 -0.110076E-06 0.100000E-04    0.998364E+00
  80    0.217538E-04    0.849935E+02 -0.255946E-06 0.100000E-04    0.999030E+00
  81    0.219420E-04    0.809136E+02 -0.271178E-06 0.100000E-04    0.996900E+00
  82    0.227345E-05    0.798145E+02 -0.284842E-07 0.100000E-04    0.967855E+00
  83    0.158466E-04    0.782908E+02 -0.202407E-06 0.100000E-04    0.994168E+00
  84    0.402847E-04    0.727891E+02 -0.553444E-06 0.100000E-04    0.993188E+00
  85   -0.437202E-04    0.722216E+02  0.605362E-06 0.100000E-04    0.996884E+00
  86   -0.364897E-05    0.682822E+02  0.534396E-07 0.100000E-04    0.941531E+00
  87   -0.431657E-04    0.665455E+02  0.648664E-06 0.100000E-04    0.999182E+00
  88    0.509102E-05    0.631984E+02 -0.805561E-07 0.100000E-04    0.981685E+00
  89   -0.505575E-04    0.601383E+02  0.840688E-06 0.100000E-04    0.995329E+00
  90   -0.390647E-04    0.597256E+02  0.654069E-06 0.100000E-04    0.982606E+00
  91    0.601011E-05    0.590697E+02 -0.101746E-06 0.100000E-04    0.960353E+00
  92    0.615292E-04    0.560383E+02 -0.109799E-05 0.100000E-04    0.998706E+00
  93   -0.279258E-04    0.527788E+02  0.529110E-06 0.100000E-04    0.996810E+00
  94   -0.476175E-04    0.522888E+02  0.910664E-06 0.100000E-04    0.994683E+00
  95    0.232013E-04    0.500739E+02 -0.463341E-06 0.100000E-04    0.997221E+00
  96   -0.699209E-05    0.475369E+02  0.147088E-06 0.100000E-04    0.976659E+00
  97    0.422577E-04    0.428820E+02 -0.985443E-06 0.100000E-04    0.993497E+00
  98    0.435048E-04    0.403924E+02 -0.107705E-05 0.100000E-04    0.994795E+00
  99   -0.122898E-03    0.374259E+02  0.328376E-05 0.100000E-04    0.996419E+00
 100    0.993151E-04    0.361705E+02 -0.274575E-05 0.100000E-04    0.996996E+00
 101    0.208357E-04    0.346006E+02 -0.602178E-06 0.100000E-04    0.978518E+00
 102    0.997054E-04    0.288140E+02 -0.346032E-05 0.100000E-04    0.996747E+00
 103   -0.192576E-04    0.286515E+02  0.672132E-06 0.100000E-04    0.980486E+00
 104   -0.868290E-04    0.274811E+02  0.315959E-05 0.100000E-04    0.989439E+00
 105   -0.579021E-04    0.229880E+02  0.251880E-05 0.100000E-04    0.998553E+00
 106    0.160558E-04    0.213734E+02 -0.751208E-06 0.100000E-04    0.923128E+00
 107    0.110596E-03    0.204093E+02 -0.541891E-05 0.100000E-04    0.992836E+00
 108   -0.123414E-05    0.168135E+02  0.734018E-07 0.100000E-04    0.639384E+00
 109   -0.723475E-04    0.137907E+02  0.524610E-05 0.100000E-04    0.998867E+00
 110    0.643028E-02    0.122476E+02 -0.100000E-04 0.100000E-04    0.441212E+00
 111    0.349635E-02    0.989475E+01 -0.100000E-04 0.100000E-04    0.711671E+00
 112   -0.683768E-02    0.891946E+01  0.100000E-04 0.100000E-04    0.285998E+00
 113    0.214373E-01    0.712758E+01 -0.156719E-04 0.156719E-04    0.217830E-01
 114    0.657468E+00    0.422030E+01  0.400000E-03 0.400000E-03    0.574916E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1521792569    

 Beginning of optimization cycle  333.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3556669562
 potential> RMS force:                                               0.0617747100   |gradient|=.6595734132    
 Eigenvalues of the Hessian matrix:
   733.65684    673.61676    627.00953    604.12414    588.22905    571.63020 
   566.93605    483.02911    464.94997    461.27378    441.39768    429.64372 
   421.85009    407.99686    397.37140    388.82503    367.93175    361.71143 
   350.81043    336.10709    325.97907    321.44419    320.26445    312.56696 
   303.90552    288.61956    278.76387    270.77430    266.91555    264.25398 
   259.64301    253.91749    242.24779    238.29886    235.02586    228.49561 
   220.10057    213.79278    212.32210    207.34115    203.55665    197.48651 
   195.26244    191.52144    184.24522    175.04927    171.86621    167.55310 
   165.01008    158.97082    153.97844    151.35072    148.63103    143.27688 
   137.11811    135.82489    130.66348    128.06660    126.11734    125.56234 
   119.74561    118.07201    117.02494    111.01080    107.86293    104.75160 
   103.08807     99.77469     95.88940     94.80794     92.96328     90.50569 
    89.70432     84.99638     80.91340     79.81684     78.28959     72.79083 
    72.22636     68.28167     66.53300     63.19477     60.13035     59.72555 
    59.07007     56.03881     52.77547     52.28958     50.07272     47.53240 
    42.88115     40.39495     37.43022     36.17365     34.58865     28.81353 
    28.65025     27.47300     22.98971     21.36702     20.41391     16.81307 
    13.79112     12.24737      9.89617      8.91255      7.12109      4.21541 
overlap for current and previous eigenvector    109 is         0.9999996563
overlap for current and previous eigenvector    110 is         0.9999995155
overlap for current and previous eigenvector    111 is         0.9999981725
overlap for current and previous eigenvector    112 is         0.9999923036
overlap for current and previous eigenvector    113 is         0.9999939525
overlap for current and previous eigenvector    114 is         0.9999997264
J1,K1,R1,R2,RAT=   7   7   -0.6330594780E-02     2.006159908        0.9936694052    
FOB,PFOB,DIAG,PSTEP=   -0.4340534173E-05   -0.4313226553E-05     733.6568405        0.5879580824E-08
J1,K1,R1,R2,RAT=   8   8   -0.8141241384E-02     2.008115322        0.9918587586    
FOB,PFOB,DIAG,PSTEP=   -0.4823186600E-05   -0.4784236471E-05     673.6167562        0.7102404194E-08
J1,K1,R1,R2,RAT=   9   9   -0.2597072896E-01     2.025932235        0.9740292710    
FOB,PFOB,DIAG,PSTEP=   -0.1852036850E-06   -0.1805154762E-06     627.0095259        0.2879046382E-09
J1,K1,R1,R2,RAT=  10  10    0.7914723512E-02     1.992111949        0.9920852765    
FOB,PFOB,DIAG,PSTEP=    0.2031070920E-05    0.2047274314E-05     604.1241406       -0.3388785307E-08
J1,K1,R1,R2,RAT=  11  11   -0.6433539996E-02     2.006467062        0.9935664600    
FOB,PFOB,DIAG,PSTEP=   -0.1477136907E-05   -0.1467694594E-05     588.2290528        0.2495065463E-08
J1,K1,R1,R2,RAT= 109 109    0.4509896535E-02     1.995431985        0.9954319854    
FOB,PFOB,DIAG,PSTEP=   -0.7202124294E-04   -0.7234753231E-04     13.79112405        0.5246101366E-05
J1,K1,R1,R2,RAT= 110 110   -0.5532764317         105.5600386        0.4467235683    
FOB,PFOB,DIAG,PSTEP=    0.6498044048E-02    0.6430282248E-02     12.24736791       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2936814958         70.36694295        0.7063185042    
FOB,PFOB,DIAG,PSTEP=    0.3467283635E-02    0.3496346848E-02     9.896167421       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8741829690         154.3135907        0.1258170310    
FOB,PFOB,DIAG,PSTEP=   -0.6915594983E-02   -0.6837682977E-02     8.912551315        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8320191939         385.0085592        0.1679808061    
FOB,PFOB,DIAG,PSTEP=    0.2153012280E-01    0.2143726851E-01     7.121091918       -0.1567191296E-04
J1,K1,R1,R2,RAT= 114 114    0.9941931777        -780.8338967        0.5806822303E-02
FOB,PFOB,DIAG,PSTEP=    0.6591444092        0.6574680384         4.215405008        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001     -0.00003      0.00001     -0.00006 
     0.00003     -0.00003      0.00007     -0.00000     -0.00006      0.00000 
    -0.00001      0.00002      0.00002      0.00000      0.00002      0.00004 
    -0.00004     -0.00000     -0.00004      0.00001     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00003      0.00005      0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00002      0.00011     -0.00000 
    -0.00007      0.00650      0.00347     -0.00692      0.02153      0.65914 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4253423495
 Log product of positive Hessian eigenvalues =          519.8045334612
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2154050083
 Unscaled step for mode    7=        0.0000000059
 Unscaled step for mode    8=        0.0000000072
 Unscaled step for mode    9=        0.0000000003
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000039
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000031
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000132
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000387
 Unscaled step for mode   20=       -0.0000000184
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=        0.0000000189
 Unscaled step for mode   23=       -0.0000000013
 Unscaled step for mode   24=        0.0000000050
 Unscaled step for mode   25=        0.0000000571
 Unscaled step for mode   26=        0.0000000975
 Unscaled step for mode   27=        0.0000000507
 Unscaled step for mode   28=       -0.0000000431
 Unscaled step for mode   29=       -0.0000000316
 Unscaled step for mode   30=        0.0000000794
 Unscaled step for mode   31=        0.0000000484
 Unscaled step for mode   32=        0.0000000218
 Unscaled step for mode   33=       -0.0000000426
 Unscaled step for mode   34=       -0.0000000389
 Unscaled step for mode   35=       -0.0000000895
 Unscaled step for mode   36=       -0.0000000663
 Unscaled step for mode   37=        0.0000000697
 Unscaled step for mode   38=        0.0000000033
 Unscaled step for mode   39=        0.0000000797
 Unscaled step for mode   40=        0.0000000462
 Unscaled step for mode   41=        0.0000001638
 Unscaled step for mode   42=        0.0000000521
 Unscaled step for mode   43=        0.0000000644
 Unscaled step for mode   44=        0.0000001169
 Unscaled step for mode   45=       -0.0000000037
 Unscaled step for mode   46=       -0.0000001170
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000247
 Unscaled step for mode   49=        0.0000001262
 Unscaled step for mode   50=       -0.0000000493
 Unscaled step for mode   51=        0.0000000869
 Unscaled step for mode   52=        0.0000000192
 Unscaled step for mode   53=       -0.0000000750
 Unscaled step for mode   54=       -0.0000001036
 Unscaled step for mode   55=       -0.0000001226
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=        0.0000000663
 Unscaled step for mode   58=        0.0000001581
 Unscaled step for mode   59=       -0.0000000079
 Unscaled step for mode   60=       -0.0000001554
 Unscaled step for mode   61=        0.0000002000
 Unscaled step for mode   62=       -0.0000002191
 Unscaled step for mode   63=        0.0000001757
 Unscaled step for mode   64=        0.0000002038
 Unscaled step for mode   65=       -0.0000001454
 Unscaled step for mode   66=       -0.0000001670
 Unscaled step for mode   67=        0.0000000596
 Unscaled step for mode   68=        0.0000000780
 Unscaled step for mode   69=       -0.0000000491
 Unscaled step for mode   70=        0.0000002338
 Unscaled step for mode   71=       -0.0000000522
 Unscaled step for mode   72=        0.0000005534
 Unscaled step for mode   73=       -0.0000002684
 Unscaled step for mode   74=        0.0000002877
 Unscaled step for mode   75=       -0.0000007620
 Unscaled step for mode   76=        0.0000000431
 Unscaled step for mode   77=        0.0000006271
 Unscaled step for mode   78=       -0.0000000317
 Unscaled step for mode   79=        0.0000001087
 Unscaled step for mode   80=       -0.0000002567
 Unscaled step for mode   81=       -0.0000002717
 Unscaled step for mode   82=       -0.0000000310
 Unscaled step for mode   83=       -0.0000002039
 Unscaled step for mode   84=       -0.0000005546
 Unscaled step for mode   85=        0.0000006036
 Unscaled step for mode   86=        0.0000000568
 Unscaled step for mode   87=        0.0000006498
 Unscaled step for mode   88=       -0.0000000812
 Unscaled step for mode   89=        0.0000008375
 Unscaled step for mode   90=        0.0000006606
 Unscaled step for mode   91=        0.0000001045
 Unscaled step for mode   92=        0.0000011005
 Unscaled step for mode   93=       -0.0000005238
 Unscaled step for mode   94=       -0.0000009114
 Unscaled step for mode   95=       -0.0000004578
 Unscaled step for mode   96=        0.0000001462
 Unscaled step for mode   97=       -0.0000009837
 Unscaled step for mode   98=       -0.0000010802
 Unscaled step for mode   99=        0.0000032818
 Unscaled step for mode  100=       -0.0000027415
 Unscaled step for mode  101=       -0.0000006028
 Unscaled step for mode  102=       -0.0000034587
 Unscaled step for mode  103=        0.0000006860
 Unscaled step for mode  104=        0.0000031594
 Unscaled step for mode  105=        0.0000025315
 Unscaled step for mode  106=       -0.0000007293
 Unscaled step for mode  107=       -0.0000054274
 Unscaled step for mode  108=        0.0000000642
 Unscaled step for mode  109=        0.0000052223
 Unscaled step for mode  110=       -0.0005305664
 Unscaled step for mode  111=       -0.0003503663
 Unscaled step for mode  112=        0.0007759384
 Unscaled step for mode  113=       -0.0030234023
 Unscaled step for mode  114=        0.1527187024
 Largest modulus ratio of non-zero e/values=           174.0418392    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.124250E-15    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.127686E-14    0.100710E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.365593E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.697970E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.453494E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.726388E-15    0.973903E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.434053E-05    0.733657E+03  0.591630E-08 0.100000E-04    0.993669E+00
   8   -0.482319E-05    0.673617E+03  0.716013E-08 0.100000E-04    0.991859E+00
   9   -0.185204E-06    0.627010E+03  0.295376E-09 0.100000E-04    0.974029E+00
  10    0.203107E-05    0.604124E+03 -0.336201E-08 0.100000E-04    0.992085E+00
  11   -0.147714E-05    0.588229E+03  0.251116E-08 0.100000E-04    0.993566E+00
  12   -0.221667E-05    0.571630E+03  0.387781E-08 0.100000E-04    0.977349E+00
  13   -0.355359E-05    0.566936E+03  0.626806E-08 0.100000E-04    0.992448E+00
  14   -0.148309E-05    0.483029E+03  0.307039E-08 0.100000E-04    0.967679E+00
  15    0.185226E-05    0.464950E+03 -0.398378E-08 0.100000E-04    0.987614E+00
  16    0.606719E-05    0.461274E+03 -0.131531E-07 0.100000E-04    0.997912E+00
  17    0.445971E-05    0.441398E+03 -0.101036E-07 0.100000E-04    0.999051E+00
  18    0.504170E-05    0.429644E+03 -0.117346E-07 0.100000E-04    0.996565E+00
  19   -0.163356E-04    0.421850E+03  0.387237E-07 0.100000E-04    0.998107E+00
  20    0.752580E-05    0.407997E+03 -0.184457E-07 0.100000E-04    0.996299E+00
  21    0.710607E-05    0.397371E+03 -0.178827E-07 0.100000E-04    0.998068E+00
  22   -0.734682E-05    0.388825E+03  0.188949E-07 0.100000E-04    0.996823E+00
  23    0.472345E-06    0.367932E+03 -0.128378E-08 0.100000E-04    0.953947E+00
  24   -0.182232E-05    0.361711E+03  0.503804E-08 0.100000E-04    0.987330E+00
  25   -0.200434E-04    0.350810E+03  0.571346E-07 0.100000E-04    0.997171E+00
  26   -0.327652E-04    0.336107E+03  0.974845E-07 0.100000E-04    0.998557E+00
  27   -0.165150E-04    0.325979E+03  0.506627E-07 0.100000E-04    0.997459E+00
  28    0.138502E-04    0.321444E+03 -0.430874E-07 0.100000E-04    0.995649E+00
  29    0.101156E-04    0.320264E+03 -0.315851E-07 0.100000E-04    0.985259E+00
  30   -0.248319E-04    0.312567E+03  0.794449E-07 0.100000E-04    0.998550E+00
  31   -0.147230E-04    0.303906E+03  0.484461E-07 0.100000E-04    0.992391E+00
  32   -0.630062E-05    0.288620E+03  0.218302E-07 0.100000E-04    0.997679E+00
  33    0.118712E-04    0.278764E+03 -0.425850E-07 0.100000E-04    0.999601E+00
  34    0.105326E-04    0.270774E+03 -0.388981E-07 0.100000E-04    0.995663E+00
  35    0.238928E-04    0.266916E+03 -0.895143E-07 0.100000E-04    0.998663E+00
  36    0.175083E-04    0.264254E+03 -0.662557E-07 0.100000E-04    0.996188E+00
  37   -0.181036E-04    0.259643E+03  0.697249E-07 0.100000E-04    0.996969E+00
  38   -0.842993E-06    0.253917E+03  0.331995E-08 0.100000E-04    0.954658E+00
  39   -0.193049E-04    0.242248E+03  0.796906E-07 0.100000E-04    0.998612E+00
  40   -0.110034E-04    0.238299E+03  0.461746E-07 0.100000E-04    0.984661E+00
  41   -0.384976E-04    0.235026E+03  0.163801E-06 0.100000E-04    0.996981E+00
  42   -0.118952E-04    0.228496E+03  0.520588E-07 0.100000E-04    0.994672E+00
  43   -0.141660E-04    0.220101E+03  0.643617E-07 0.100000E-04    0.992470E+00
  44   -0.249977E-04    0.213793E+03  0.116925E-06 0.100000E-04    0.994222E+00
  45    0.786507E-06    0.212322E+03 -0.370431E-08 0.100000E-04    0.937934E+00
  46    0.242678E-04    0.207341E+03 -0.117043E-06 0.100000E-04    0.995219E+00
  47   -0.298269E-04    0.203557E+03  0.146529E-06 0.100000E-04    0.999335E+00
  48    0.487009E-05    0.197487E+03 -0.246604E-07 0.100000E-04    0.993051E+00
  49   -0.246505E-04    0.195262E+03  0.126243E-06 0.100000E-04    0.995336E+00
  50    0.944574E-05    0.191521E+03 -0.493195E-07 0.100000E-04    0.991516E+00
  51   -0.160115E-04    0.184245E+03  0.869033E-07 0.100000E-04    0.994937E+00
  52   -0.335373E-05    0.175049E+03  0.191588E-07 0.100000E-04    0.985712E+00
  53    0.128816E-04    0.171866E+03 -0.749513E-07 0.100000E-04    0.996792E+00
  54    0.173666E-04    0.167553E+03 -0.103649E-06 0.100000E-04    0.993526E+00
  55    0.202294E-04    0.165010E+03 -0.122595E-06 0.100000E-04    0.999054E+00
  56    0.585901E-05    0.158971E+03 -0.368559E-07 0.100000E-04    0.991862E+00
  57   -0.102061E-04    0.153978E+03  0.662824E-07 0.100000E-04    0.993514E+00
  58   -0.239319E-04    0.151351E+03  0.158122E-06 0.100000E-04    0.998083E+00
  59    0.117694E-05    0.148631E+03 -0.791853E-08 0.100000E-04    0.983491E+00
  60    0.222633E-04    0.143277E+03 -0.155387E-06 0.100000E-04    0.996227E+00
  61   -0.274236E-04    0.137118E+03  0.200000E-06 0.100000E-04    0.997289E+00
  62    0.297628E-04    0.135825E+03 -0.219126E-06 0.100000E-04    0.997487E+00
  63   -0.229604E-04    0.130663E+03  0.175722E-06 0.100000E-04    0.997007E+00
  64   -0.260943E-04    0.128067E+03  0.203756E-06 0.100000E-04    0.993877E+00
  65    0.183373E-04    0.126117E+03 -0.145399E-06 0.100000E-04    0.991393E+00
  66    0.209663E-04    0.125562E+03 -0.166979E-06 0.100000E-04    0.991702E+00
  67   -0.713284E-05    0.119746E+03  0.595666E-07 0.100000E-04    0.989564E+00
  68   -0.921293E-05    0.118072E+03  0.780281E-07 0.100000E-04    0.999242E+00
  69    0.574721E-05    0.117025E+03 -0.491110E-07 0.100000E-04    0.999652E+00
  70   -0.259544E-04    0.111011E+03  0.233801E-06 0.100000E-04    0.994734E+00
  71    0.563451E-05    0.107863E+03 -0.522377E-07 0.100000E-04    0.996454E+00
  72   -0.579733E-04    0.104752E+03  0.553436E-06 0.100000E-04    0.997657E+00
  73    0.276721E-04    0.103088E+03 -0.268431E-06 0.100000E-04    0.997214E+00
  74   -0.287004E-04    0.997747E+02  0.287652E-06 0.100000E-04    0.996811E+00
  75    0.730671E-04    0.958894E+02 -0.761993E-06 0.100000E-04    0.996007E+00
  76   -0.408602E-05    0.948079E+02  0.430979E-07 0.100000E-04    0.886245E+00
  77   -0.582968E-04    0.929633E+02  0.627095E-06 0.100000E-04    0.997340E+00
  78    0.286940E-05    0.905057E+02 -0.317041E-07 0.100000E-04    0.911219E+00
  79   -0.975130E-05    0.897043E+02  0.108705E-06 0.100000E-04    0.987496E+00
  80    0.218219E-04    0.849964E+02 -0.256739E-06 0.100000E-04    0.996870E+00
  81    0.219806E-04    0.809134E+02 -0.271656E-06 0.100000E-04    0.998239E+00
  82    0.247610E-05    0.798168E+02 -0.310223E-07 0.100000E-04    0.910866E+00
  83    0.159620E-04    0.782896E+02 -0.203883E-06 0.100000E-04    0.992721E+00
  84    0.403700E-04    0.727908E+02 -0.554603E-06 0.100000E-04    0.997881E+00
  85   -0.435960E-04    0.722264E+02  0.603602E-06 0.100000E-04    0.997028E+00
  86   -0.387526E-05    0.682817E+02  0.567541E-07 0.100000E-04    0.937984E+00
  87   -0.432334E-04    0.665330E+02  0.649804E-06 0.100000E-04    0.998431E+00
  88    0.513002E-05    0.631948E+02 -0.811779E-07 0.100000E-04    0.992339E+00
  89   -0.503593E-04    0.601303E+02  0.837501E-06 0.100000E-04    0.996078E+00
  90   -0.394530E-04    0.597256E+02  0.660572E-06 0.100000E-04    0.990059E+00
  91   -0.616993E-05    0.590701E+02  0.104451E-06 0.100000E-04    0.973409E+00
  92   -0.616694E-04    0.560388E+02  0.110048E-05 0.100000E-04    0.997721E+00
  93    0.276454E-04    0.527755E+02 -0.523831E-06 0.100000E-04    0.989959E+00
  94    0.476556E-04    0.522896E+02 -0.911378E-06 0.100000E-04    0.999201E+00
  95    0.229248E-04    0.500727E+02 -0.457830E-06 0.100000E-04    0.988083E+00
  96   -0.694913E-05    0.475324E+02  0.146198E-06 0.100000E-04    0.993855E+00
  97    0.421815E-04    0.428811E+02 -0.983685E-06 0.100000E-04    0.998196E+00
  98    0.436364E-04    0.403950E+02 -0.108024E-05 0.100000E-04    0.996976E+00
  99   -0.122837E-03    0.374302E+02  0.328177E-05 0.100000E-04    0.999279E+00
 100    0.991689E-04    0.361736E+02 -0.274147E-05 0.100000E-04    0.998354E+00
 101    0.208486E-04    0.345887E+02 -0.602758E-06 0.100000E-04    0.999382E+00
 102    0.996575E-04    0.288135E+02 -0.345871E-05 0.100000E-04    0.999520E+00
 103   -0.196530E-04    0.286503E+02  0.685961E-06 0.100000E-04    0.979468E+00
 104   -0.867983E-04    0.274730E+02  0.315940E-05 0.100000E-04    0.999647E+00
 105   -0.581978E-04    0.229897E+02  0.253147E-05 0.100000E-04    0.994894E+00
 106    0.155829E-04    0.213670E+02 -0.729297E-06 0.100000E-04    0.970535E+00
 107    0.110795E-03    0.204139E+02 -0.542743E-05 0.100000E-04    0.998202E+00
 108   -0.107921E-05    0.168131E+02  0.641889E-07 0.100000E-04    0.874459E+00
 109   -0.720212E-04    0.137911E+02  0.522229E-05 0.100000E-04    0.995432E+00
 110    0.649804E-02    0.122474E+02 -0.100000E-04 0.100000E-04    0.446724E+00
 111    0.346728E-02    0.989617E+01 -0.100000E-04 0.100000E-04    0.706319E+00
 112   -0.691559E-02    0.891255E+01  0.109000E-04 0.109000E-04    0.125817E+00
 113    0.215301E-01    0.712109E+01 -0.170824E-04 0.170824E-04    0.167981E+00
 114    0.659144E+00    0.421541E+01  0.400000E-03 0.400000E-03    0.580682E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1527187024    

 Beginning of optimization cycle  334.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3554035031
 potential> RMS force:                                               0.0619317986   |gradient|=.6612506602    
 Eigenvalues of the Hessian matrix:
   733.71953    673.62538    627.02172    604.11592    588.21915    571.67326 
   566.94133    483.05460    464.92666    461.26708    441.39921    429.63629 
   421.85410    408.00445    397.36631    388.82376    367.93924    361.70274 
   350.80314    336.08881    325.99206    321.44292    320.26808    312.54316 
   303.89332    288.62864    278.75884    270.77773    266.92439    264.26109 
   259.65773    253.91883    242.24351    238.31108    235.01335    228.49154 
   220.07980    213.80057    212.32826    207.33592    203.55785    197.47968 
   195.25911    191.52004    184.23521    175.03836    171.87186    167.55372 
   165.00288    158.96032    153.98354    151.35623    148.62280    143.27917 
   137.12076    135.82767    130.66184    128.07114    126.11991    125.55997 
   119.74743    118.07289    117.02643    111.00495    107.85467    104.74864 
   103.08851     99.77339     95.88446     94.79935     92.97571     90.50955 
    89.69974     84.99930     80.91321     79.81918     78.28837     72.79257 
    72.23104     68.28116     66.52042     63.19108     60.12248     59.72544 
    59.07041     56.03929     52.77215     52.29036     50.07156     47.52786 
    42.88036     40.39748     37.43451     36.17676     34.57669     28.81310 
    28.64902     27.46490     22.99148     21.36067     20.41854     16.81261 
    13.79153     12.24710      9.89759      8.90582      7.11456      4.21049 
overlap for current and previous eigenvector    109 is         0.9999996622
overlap for current and previous eigenvector    110 is         0.9999995184
overlap for current and previous eigenvector    111 is         0.9999982595
overlap for current and previous eigenvector    112 is         0.9999924919
overlap for current and previous eigenvector    113 is         0.9999940465
overlap for current and previous eigenvector    114 is         0.9999997207
J1,K1,R1,R2,RAT=   7   7   -0.6994729151E-02     2.006823838        0.9930052708    
FOB,PFOB,DIAG,PSTEP=   -0.4370897629E-05   -0.4340534173E-05     733.7195335        0.5916300284E-08
J1,K1,R1,R2,RAT=   8   8   -0.7365604946E-02     2.007339990        0.9926343951    
FOB,PFOB,DIAG,PSTEP=   -0.4858712742E-05   -0.4823186600E-05     673.6253837        0.7160134536E-08
J1,K1,R1,R2,RAT=   9   9   -0.2210322206         2.220993316        0.7789677794    
FOB,PFOB,DIAG,PSTEP=   -0.2261404630E-06   -0.1852036850E-06     627.0217229        0.2953761902E-09
J1,K1,R1,R2,RAT=  10  10    0.1734200055E-02     1.998293018        0.9982657999    
FOB,PFOB,DIAG,PSTEP=    0.2027548684E-05    0.2031070920E-05     604.1159192       -0.3362009202E-08
J1,K1,R1,R2,RAT=  11  11    0.1115315695E-01     1.988880497        0.9888468431    
FOB,PFOB,DIAG,PSTEP=   -0.1460662445E-05   -0.1477136907E-05     588.2191549        0.2511159386E-08
J1,K1,R1,R2,RAT= 109 109   -0.7590993465E-02     2.007531710        0.9924090065    
FOB,PFOB,DIAG,PSTEP=   -0.7256797193E-04   -0.7202124294E-04     13.79153285        0.5222289545E-05
J1,K1,R1,R2,RAT= 110 110   -0.5459733355         106.6615946        0.4540266645    
FOB,PFOB,DIAG,PSTEP=    0.6564909958E-02    0.6498044048E-02     12.24710173       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2867126628         69.77648447        0.7132873372    
FOB,PFOB,DIAG,PSTEP=    0.3438905994E-02    0.3467283635E-02     9.897588969       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7867238650         143.2685172        0.2132761350    
FOB,PFOB,DIAG,PSTEP=   -0.6991964932E-02   -0.6915594983E-02     8.905815128        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7577658541         355.0651282        0.2422341459    
FOB,PFOB,DIAG,PSTEP=    0.2162221680E-01    0.2153012280E-01     7.114556240       -0.1708238513E-04
J1,K1,R1,R2,RAT= 114 114    0.9939531196        -783.7342831        0.6046880447E-02
FOB,PFOB,DIAG,PSTEP=    0.6608184219        0.6591444092         4.210492190        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001     -0.00003     -0.00001     -0.00006 
     0.00003     -0.00003      0.00007     -0.00000      0.00006     -0.00000 
     0.00001      0.00002      0.00002     -0.00000      0.00002      0.00004 
    -0.00004     -0.00000      0.00004     -0.00001     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00003      0.00005      0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00002      0.00011     -0.00000 
    -0.00007      0.00656      0.00344     -0.00699      0.02162      0.66082 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4251887451
 Log product of positive Hessian eigenvalues =          519.8007350463
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2104921895
 Unscaled step for mode    7=        0.0000000060
 Unscaled step for mode    8=        0.0000000072
 Unscaled step for mode    9=        0.0000000004
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000040
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000029
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000132
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000388
 Unscaled step for mode   20=       -0.0000000183
 Unscaled step for mode   21=       -0.0000000178
 Unscaled step for mode   22=        0.0000000191
 Unscaled step for mode   23=       -0.0000000014
 Unscaled step for mode   24=        0.0000000052
 Unscaled step for mode   25=        0.0000000572
 Unscaled step for mode   26=        0.0000000976
 Unscaled step for mode   27=        0.0000000507
 Unscaled step for mode   28=       -0.0000000432
 Unscaled step for mode   29=       -0.0000000321
 Unscaled step for mode   30=        0.0000000796
 Unscaled step for mode   31=        0.0000000488
 Unscaled step for mode   32=        0.0000000221
 Unscaled step for mode   33=       -0.0000000427
 Unscaled step for mode   34=       -0.0000000391
 Unscaled step for mode   35=       -0.0000000897
 Unscaled step for mode   36=       -0.0000000668
 Unscaled step for mode   37=        0.0000000699
 Unscaled step for mode   38=        0.0000000031
 Unscaled step for mode   39=        0.0000000798
 Unscaled step for mode   40=        0.0000000471
 Unscaled step for mode   41=        0.0000001645
 Unscaled step for mode   42=        0.0000000527
 Unscaled step for mode   43=        0.0000000648
 Unscaled step for mode   44=        0.0000001179
 Unscaled step for mode   45=       -0.0000000036
 Unscaled step for mode   46=       -0.0000001177
 Unscaled step for mode   47=        0.0000001468
 Unscaled step for mode   48=       -0.0000000247
 Unscaled step for mode   49=        0.0000001268
 Unscaled step for mode   50=       -0.0000000488
 Unscaled step for mode   51=        0.0000000871
 Unscaled step for mode   52=        0.0000000194
 Unscaled step for mode   53=       -0.0000000750
 Unscaled step for mode   54=       -0.0000001041
 Unscaled step for mode   55=       -0.0000001229
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=        0.0000000663
 Unscaled step for mode   58=        0.0000001585
 Unscaled step for mode   59=       -0.0000000085
 Unscaled step for mode   60=       -0.0000001555
 Unscaled step for mode   61=        0.0000002003
 Unscaled step for mode   62=       -0.0000002187
 Unscaled step for mode   63=        0.0000001751
 Unscaled step for mode   64=        0.0000002048
 Unscaled step for mode   65=       -0.0000001461
 Unscaled step for mode   66=       -0.0000001660
 Unscaled step for mode   67=        0.0000000608
 Unscaled step for mode   68=        0.0000000779
 Unscaled step for mode   69=       -0.0000000492
 Unscaled step for mode   70=        0.0000002351
 Unscaled step for mode   71=        0.0000000528
 Unscaled step for mode   72=        0.0000005556
 Unscaled step for mode   73=       -0.0000002688
 Unscaled step for mode   74=        0.0000002870
 Unscaled step for mode   75=       -0.0000007646
 Unscaled step for mode   76=        0.0000000370
 Unscaled step for mode   77=       -0.0000006245
 Unscaled step for mode   78=        0.0000000324
 Unscaled step for mode   79=       -0.0000001082
 Unscaled step for mode   80=       -0.0000002566
 Unscaled step for mode   81=       -0.0000002727
 Unscaled step for mode   82=        0.0000000335
 Unscaled step for mode   83=       -0.0000002035
 Unscaled step for mode   84=       -0.0000005561
 Unscaled step for mode   85=        0.0000006014
 Unscaled step for mode   86=        0.0000000592
 Unscaled step for mode   87=       -0.0000006484
 Unscaled step for mode   88=        0.0000000842
 Unscaled step for mode   89=        0.0000008313
 Unscaled step for mode   90=        0.0000006665
 Unscaled step for mode   91=        0.0000001065
 Unscaled step for mode   92=        0.0000011007
 Unscaled step for mode   93=       -0.0000005188
 Unscaled step for mode   94=       -0.0000009143
 Unscaled step for mode   95=       -0.0000004553
 Unscaled step for mode   96=        0.0000001463
 Unscaled step for mode   97=       -0.0000009790
 Unscaled step for mode   98=       -0.0000010821
 Unscaled step for mode   99=        0.0000032769
 Unscaled step for mode  100=       -0.0000027287
 Unscaled step for mode  101=       -0.0000005988
 Unscaled step for mode  102=       -0.0000034584
 Unscaled step for mode  103=        0.0000007031
 Unscaled step for mode  104=        0.0000031840
 Unscaled step for mode  105=        0.0000025231
 Unscaled step for mode  106=       -0.0000007105
 Unscaled step for mode  107=       -0.0000053823
 Unscaled step for mode  108=        0.0000000919
 Unscaled step for mode  109=        0.0000052618
 Unscaled step for mode  110=       -0.0005360377
 Unscaled step for mode  111=       -0.0003474488
 Unscaled step for mode  112=        0.0007851006
 Unscaled step for mode  113=       -0.0030391238
 Unscaled step for mode  114=        0.1532592457
 Largest modulus ratio of non-zero e/values=           174.2598016    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.390530E-15    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.134983E-14    0.100710E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.713134E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.136851E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.209902E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.883354E-16    0.973905E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.437090E-05    0.733720E+03  0.595718E-08 0.100000E-04    0.993005E+00
   8   -0.485871E-05    0.673625E+03  0.721278E-08 0.100000E-04    0.992634E+00
   9   -0.226140E-06    0.627022E+03  0.360658E-09 0.100000E-04    0.778968E+00
  10    0.202755E-05    0.604116E+03 -0.335622E-08 0.100000E-04    0.998266E+00
  11   -0.146066E-05    0.588219E+03  0.248319E-08 0.100000E-04    0.988847E+00
  12   -0.230682E-05    0.571673E+03  0.403521E-08 0.100000E-04    0.959335E+00
  13   -0.354726E-05    0.566941E+03  0.625683E-08 0.100000E-04    0.998200E+00
  14   -0.142011E-05    0.483055E+03  0.293986E-08 0.100000E-04    0.957435E+00
  15    0.183763E-05    0.464927E+03 -0.395252E-08 0.100000E-04    0.992102E+00
  16    0.607942E-05    0.461267E+03 -0.131798E-07 0.100000E-04    0.997985E+00
  17    0.443701E-05    0.441399E+03 -0.100522E-07 0.100000E-04    0.994904E+00
  18    0.500510E-05    0.429636E+03 -0.116496E-07 0.100000E-04    0.992740E+00
  19   -0.163578E-04    0.421854E+03  0.387761E-07 0.100000E-04    0.998639E+00
  20    0.746625E-05    0.408004E+03 -0.182994E-07 0.100000E-04    0.992049E+00
  21    0.707005E-05    0.397366E+03 -0.177923E-07 0.100000E-04    0.994930E+00
  22   -0.741699E-05    0.388824E+03  0.190755E-07 0.100000E-04    0.990449E+00
  23    0.529700E-06    0.367939E+03 -0.143964E-08 0.100000E-04    0.878576E+00
  24   -0.188536E-05    0.361703E+03  0.521245E-08 0.100000E-04    0.965406E+00
  25   -0.200675E-04    0.350803E+03  0.572043E-07 0.100000E-04    0.998800E+00
  26   -0.328150E-04    0.336089E+03  0.976379E-07 0.100000E-04    0.998480E+00
  27   -0.165272E-04    0.325992E+03  0.506980E-07 0.100000E-04    0.999262E+00
  28    0.138938E-04    0.321443E+03 -0.432232E-07 0.100000E-04    0.996852E+00
  29    0.102916E-04    0.320268E+03 -0.321342E-07 0.100000E-04    0.982603E+00
  30   -0.248920E-04    0.312543E+03  0.796433E-07 0.100000E-04    0.997580E+00
  31   -0.148252E-04    0.303893E+03  0.487843E-07 0.100000E-04    0.993059E+00
  32   -0.637592E-05    0.288629E+03  0.220904E-07 0.100000E-04    0.988049E+00
  33    0.119061E-04    0.278759E+03 -0.427110E-07 0.100000E-04    0.997060E+00
  34    0.106001E-04    0.270778E+03 -0.391469E-07 0.100000E-04    0.993591E+00
  35    0.239432E-04    0.266924E+03 -0.897002E-07 0.100000E-04    0.997890E+00
  36    0.176406E-04    0.264261E+03 -0.667544E-07 0.100000E-04    0.992446E+00
  37   -0.181455E-04    0.259658E+03  0.698822E-07 0.100000E-04    0.997688E+00
  38   -0.787666E-06    0.253919E+03  0.310204E-08 0.100000E-04    0.934358E+00
  39   -0.193261E-04    0.242244E+03  0.797798E-07 0.100000E-04    0.998899E+00
  40   -0.112362E-04    0.238311E+03  0.471494E-07 0.100000E-04    0.978838E+00
  41   -0.386709E-04    0.235013E+03  0.164548E-06 0.100000E-04    0.995497E+00
  42   -0.120334E-04    0.228492E+03  0.526646E-07 0.100000E-04    0.988380E+00
  43   -0.142710E-04    0.220080E+03  0.648445E-07 0.100000E-04    0.992593E+00
  44   -0.252089E-04    0.213801E+03  0.117909E-06 0.100000E-04    0.991550E+00
  45    0.765993E-06    0.212328E+03 -0.360759E-08 0.100000E-04    0.973860E+00
  46    0.244016E-04    0.207336E+03 -0.117691E-06 0.100000E-04    0.994487E+00
  47   -0.298839E-04    0.203558E+03  0.146808E-06 0.100000E-04    0.998092E+00
  48    0.487494E-05    0.197480E+03 -0.246858E-07 0.100000E-04    0.999005E+00
  49   -0.247578E-04    0.195259E+03  0.126795E-06 0.100000E-04    0.995646E+00
  50    0.935257E-05    0.191520E+03 -0.488334E-07 0.100000E-04    0.990136E+00
  51   -0.160480E-04    0.184235E+03  0.871058E-07 0.100000E-04    0.997724E+00
  52   -0.338750E-05    0.175038E+03  0.193529E-07 0.100000E-04    0.989931E+00
  53    0.128821E-04    0.171872E+03 -0.749516E-07 0.100000E-04    0.999962E+00
  54    0.174389E-04    0.167554E+03 -0.104080E-06 0.100000E-04    0.995836E+00
  55    0.202760E-04    0.165003E+03 -0.122883E-06 0.100000E-04    0.997698E+00
  56    0.591992E-05    0.158960E+03 -0.372415E-07 0.100000E-04    0.989603E+00
  57   -0.102131E-04    0.153984E+03  0.663258E-07 0.100000E-04    0.999312E+00
  58   -0.239905E-04    0.151356E+03  0.158503E-06 0.100000E-04    0.997553E+00
  59    0.126002E-05    0.148623E+03 -0.847799E-08 0.100000E-04    0.929404E+00
  60    0.222823E-04    0.143279E+03 -0.155517E-06 0.100000E-04    0.999147E+00
  61   -0.274721E-04    0.137121E+03  0.200350E-06 0.100000E-04    0.998233E+00
  62    0.297091E-04    0.135828E+03 -0.218727E-06 0.100000E-04    0.998156E+00
  63   -0.228807E-04    0.130662E+03  0.175114E-06 0.100000E-04    0.996530E+00
  64   -0.262307E-04    0.128071E+03  0.204813E-06 0.100000E-04    0.994775E+00
  65    0.184319E-04    0.126120E+03 -0.146146E-06 0.100000E-04    0.994844E+00
  66    0.208372E-04    0.125560E+03 -0.165955E-06 0.100000E-04    0.993844E+00
  67   -0.727480E-05    0.119747E+03  0.607512E-07 0.100000E-04    0.980098E+00
  68   -0.919371E-05    0.118073E+03  0.778647E-07 0.100000E-04    0.997899E+00
  69    0.575205E-05    0.117026E+03 -0.491517E-07 0.100000E-04    0.999158E+00
  70   -0.260994E-04    0.111005E+03  0.235119E-06 0.100000E-04    0.994414E+00
  71   -0.568965E-05    0.107855E+03  0.527529E-07 0.100000E-04    0.990213E+00
  72   -0.581994E-04    0.104749E+03  0.555610E-06 0.100000E-04    0.996101E+00
  73    0.277074E-04    0.103089E+03 -0.268773E-06 0.100000E-04    0.998723E+00
  74   -0.286353E-04    0.997734E+02  0.287004E-06 0.100000E-04    0.997732E+00
  75    0.733146E-04    0.958845E+02 -0.764614E-06 0.100000E-04    0.996613E+00
  76   -0.351113E-05    0.947993E+02  0.370375E-07 0.100000E-04    0.859291E+00
  77    0.580626E-04    0.929757E+02 -0.624492E-06 0.100000E-04    0.995715E+00
  78   -0.293305E-05    0.905096E+02  0.324059E-07 0.100000E-04    0.977819E+00
  79    0.970321E-05    0.896997E+02 -0.108174E-06 0.100000E-04    0.995069E+00
  80    0.218106E-04    0.849993E+02 -0.256597E-06 0.100000E-04    0.999413E+00
  81    0.220669E-04    0.809132E+02 -0.272723E-06 0.100000E-04    0.996075E+00
  82   -0.267435E-05    0.798192E+02  0.335051E-07 0.100000E-04    0.919938E+00
  83    0.159302E-04    0.782884E+02 -0.203482E-06 0.100000E-04    0.998013E+00
  84    0.404798E-04    0.727926E+02 -0.556098E-06 0.100000E-04    0.997280E+00
  85   -0.434391E-04    0.722310E+02  0.601391E-06 0.100000E-04    0.996271E+00
  86   -0.404163E-05    0.682812E+02  0.591910E-07 0.100000E-04    0.957070E+00
  87    0.431331E-04    0.665204E+02 -0.648419E-06 0.100000E-04    0.997680E+00
  88   -0.532156E-05    0.631911E+02  0.842138E-07 0.100000E-04    0.962660E+00
  89   -0.499779E-04    0.601225E+02  0.831268E-06 0.100000E-04    0.992426E+00
  90   -0.398044E-04    0.597254E+02  0.666456E-06 0.100000E-04    0.991095E+00
  91   -0.628889E-05    0.590704E+02  0.106464E-06 0.100000E-04    0.980720E+00
  92   -0.616826E-04    0.560393E+02  0.110070E-05 0.100000E-04    0.999786E+00
  93    0.273792E-04    0.527722E+02 -0.518820E-06 0.100000E-04    0.990370E+00
  94    0.478105E-04    0.522904E+02 -0.914327E-06 0.100000E-04    0.996749E+00
  95    0.227970E-04    0.500716E+02 -0.455289E-06 0.100000E-04    0.994427E+00
  96   -0.695131E-05    0.475279E+02  0.146258E-06 0.100000E-04    0.999686E+00
  97    0.419781E-04    0.428804E+02 -0.978960E-06 0.100000E-04    0.995178E+00
  98    0.437153E-04    0.403975E+02 -0.108213E-05 0.100000E-04    0.998192E+00
  99   -0.122670E-03    0.374345E+02  0.327693E-05 0.100000E-04    0.998412E+00
 100    0.987142E-04    0.361768E+02 -0.272866E-05 0.100000E-04    0.995243E+00
 101    0.207046E-04    0.345767E+02 -0.598803E-06 0.100000E-04    0.993093E+00
 102    0.996470E-04    0.288131E+02 -0.345839E-05 0.100000E-04    0.999894E+00
 103   -0.201421E-04    0.286490E+02  0.703064E-06 0.100000E-04    0.975110E+00
 104   -0.874473E-04    0.274649E+02  0.318397E-05 0.100000E-04    0.992521E+00
 105   -0.580090E-04    0.229915E+02  0.252306E-05 0.100000E-04    0.996603E+00
 106    0.151766E-04    0.213607E+02 -0.710493E-06 0.100000E-04    0.973920E+00
 107    0.109899E-03    0.204185E+02 -0.538232E-05 0.100000E-04    0.991462E+00
 108   -0.154570E-05    0.168126E+02  0.919372E-07 0.100000E-04    0.567737E+00
 109   -0.725680E-04    0.137915E+02  0.526178E-05 0.100000E-04    0.992409E+00
 110    0.656491E-02    0.122471E+02 -0.100000E-04 0.100000E-04    0.454027E+00
 111    0.343891E-02    0.989759E+01 -0.100000E-04 0.100000E-04    0.713287E+00
 112   -0.699196E-02    0.890582E+01  0.100000E-04 0.100000E-04    0.213276E+00
 113    0.216222E-01    0.711456E+01 -0.153895E-04 0.153895E-04    0.242234E+00
 114    0.660818E+00    0.421049E+01  0.400000E-03 0.400000E-03    0.604688E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1532592457    

 Beginning of optimization cycle  335.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3551393409
 potential> RMS force:                                               0.0620887458   |gradient|=.6629263971    
 Eigenvalues of the Hessian matrix:
   733.78221    673.63412    627.03378    604.10768    588.20931    571.71624 
   566.94682    483.08019    464.90343    461.26039    441.40079    429.62873 
   421.85813    408.01214    397.36128    388.82257    367.94672    361.69406 
   350.79587    336.07064    326.00502    321.44172    320.27152    312.51952 
   303.88104    288.63780    278.75373    270.78123    266.93320    264.26811 
   259.67241    253.92017    242.23921    238.32328    235.00076    228.48740 
   220.05901    213.80829    212.33442    207.33076    203.55903    197.47283 
   195.25573    191.51857    184.22515    175.02750    171.87746    167.55437 
   164.99566    158.94979    153.98862    151.36178    148.61461    143.28149 
   137.12342    135.83039    130.66024    128.07566    126.12253    125.55759 
   119.74923    118.07377    117.02794    110.99912    107.84649    104.74570 
   103.08892     99.77210     95.87967     94.79061     92.98812     90.51340 
    89.69514     85.00218     80.91299     79.82148     78.28716     72.79435 
    72.23578     68.28066     66.50790     63.18732     60.11474     59.72524 
    59.07070     56.03977     52.76887     52.29117     50.07038     47.52333 
    42.87955     40.40002     37.43881     36.17988     34.56475     28.81267 
    28.64778     27.45678     22.99325     21.35430     20.42314     16.81214 
    13.79194     12.24684      9.89902      8.89900      7.10797      4.20557 
overlap for current and previous eigenvector    109 is         0.9999996607
overlap for current and previous eigenvector    110 is         0.9999995198
overlap for current and previous eigenvector    111 is         0.9999983107
overlap for current and previous eigenvector    112 is         0.9999924764
overlap for current and previous eigenvector    113 is         0.9999939848
overlap for current and previous eigenvector    114 is         0.9999997280
J1,K1,R1,R2,RAT=   7   7   -0.6863361910E-02     2.006692540        0.9931366381    
FOB,PFOB,DIAG,PSTEP=   -0.4400899244E-05   -0.4370897629E-05     733.7822067        0.5957177680E-08
J1,K1,R1,R2,RAT=   8   8    0.1009128951E-03     1.999873163        0.9998731631    
FOB,PFOB,DIAG,PSTEP=   -0.4858222429E-05   -0.4858712742E-05     673.6341153        0.7212781555E-08
J1,K1,R1,R2,RAT=   9   9    0.9569257792E-01     1.904268957        0.9042689568    
FOB,PFOB,DIAG,PSTEP=   -0.2045000830E-06   -0.2261404630E-06     627.0337824        0.3606580997E-09
J1,K1,R1,R2,RAT=  10  10   -0.1069511646E-01     2.010722410        0.9893048835    
FOB,PFOB,DIAG,PSTEP=    0.2049233258E-05    0.2027548684E-05     604.1076752       -0.3356224558E-08
J1,K1,R1,R2,RAT=  11  11   -0.2061869004E-01     2.020652148        0.9793813100    
FOB,PFOB,DIAG,PSTEP=   -0.1490778887E-05   -0.1460662445E-05     588.2093147        0.2483194286E-08
J1,K1,R1,R2,RAT= 109 109    0.1100730021E-01     1.988933833        0.9889338330    
FOB,PFOB,DIAG,PSTEP=   -0.7176917097E-04   -0.7256797193E-04     13.79193880        0.5261777113E-05
J1,K1,R1,R2,RAT= 110 110   -0.5577418795         107.7676115        0.4422581205    
FOB,PFOB,DIAG,PSTEP=    0.6633215707E-02    0.6564909958E-02     12.24683880       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2966149090         69.18312290        0.7033850910    
FOB,PFOB,DIAG,PSTEP=    0.3409544030E-02    0.3438905994E-02     9.899018340       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8735554664         158.0139827        0.1264445336    
FOB,PFOB,DIAG,PSTEP=   -0.7069702651E-02   -0.6991964932E-02     8.899002066        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8759163729         396.2051086        0.1240836271    
FOB,PFOB,DIAG,PSTEP=    0.2171803191E-01    0.2162221680E-01     7.107973470       -0.1538953615E-04
J1,K1,R1,R2,RAT= 114 114    0.9941229121        -786.6405193        0.5877087939E-02
FOB,PFOB,DIAG,PSTEP=    0.6624907639        0.6608184219         4.205571520        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001      0.00003     -0.00001     -0.00006 
     0.00003     -0.00003      0.00007     -0.00000     -0.00006      0.00000 
     0.00001      0.00002      0.00002      0.00000     -0.00002     -0.00004 
     0.00004      0.00000      0.00004     -0.00001     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00003      0.00005      0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00002      0.00011     -0.00000 
    -0.00007      0.00663      0.00341     -0.00707      0.02172      0.66249 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4250348201
 Log product of positive Hessian eigenvalues =          519.7969143400
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2055715202
 Unscaled step for mode    7=        0.0000000060
 Unscaled step for mode    8=        0.0000000072
 Unscaled step for mode    9=        0.0000000003
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000040
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000029
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000133
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000118
 Unscaled step for mode   19=        0.0000000389
 Unscaled step for mode   20=       -0.0000000184
 Unscaled step for mode   21=       -0.0000000179
 Unscaled step for mode   22=        0.0000000191
 Unscaled step for mode   23=       -0.0000000013
 Unscaled step for mode   24=        0.0000000052
 Unscaled step for mode   25=        0.0000000574
 Unscaled step for mode   26=        0.0000000979
 Unscaled step for mode   27=        0.0000000508
 Unscaled step for mode   28=       -0.0000000435
 Unscaled step for mode   29=       -0.0000000327
 Unscaled step for mode   30=        0.0000000795
 Unscaled step for mode   31=        0.0000000490
 Unscaled step for mode   32=        0.0000000221
 Unscaled step for mode   33=       -0.0000000429
 Unscaled step for mode   34=       -0.0000000394
 Unscaled step for mode   35=       -0.0000000896
 Unscaled step for mode   36=       -0.0000000668
 Unscaled step for mode   37=        0.0000000701
 Unscaled step for mode   38=        0.0000000030
 Unscaled step for mode   39=        0.0000000800
 Unscaled step for mode   40=        0.0000000477
 Unscaled step for mode   41=        0.0000001648
 Unscaled step for mode   42=        0.0000000526
 Unscaled step for mode   43=        0.0000000651
 Unscaled step for mode   44=        0.0000001180
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001181
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000250
 Unscaled step for mode   49=        0.0000001270
 Unscaled step for mode   50=       -0.0000000494
 Unscaled step for mode   51=        0.0000000874
 Unscaled step for mode   52=        0.0000000195
 Unscaled step for mode   53=       -0.0000000754
 Unscaled step for mode   54=       -0.0000001046
 Unscaled step for mode   55=       -0.0000001229
 Unscaled step for mode   56=       -0.0000000368
 Unscaled step for mode   57=        0.0000000671
 Unscaled step for mode   58=        0.0000001588
 Unscaled step for mode   59=       -0.0000000087
 Unscaled step for mode   60=       -0.0000001561
 Unscaled step for mode   61=        0.0000002020
 Unscaled step for mode   62=       -0.0000002185
 Unscaled step for mode   63=        0.0000001758
 Unscaled step for mode   64=        0.0000002061
 Unscaled step for mode   65=       -0.0000001484
 Unscaled step for mode   66=       -0.0000001650
 Unscaled step for mode   67=        0.0000000604
 Unscaled step for mode   68=        0.0000000783
 Unscaled step for mode   69=       -0.0000000497
 Unscaled step for mode   70=       -0.0000002350
 Unscaled step for mode   71=        0.0000000526
 Unscaled step for mode   72=        0.0000005578
 Unscaled step for mode   73=       -0.0000002698
 Unscaled step for mode   74=        0.0000002872
 Unscaled step for mode   75=       -0.0000007678
 Unscaled step for mode   76=        0.0000000312
 Unscaled step for mode   77=        0.0000006237
 Unscaled step for mode   78=       -0.0000000346
 Unscaled step for mode   79=       -0.0000001076
 Unscaled step for mode   80=       -0.0000002573
 Unscaled step for mode   81=       -0.0000002730
 Unscaled step for mode   82=       -0.0000000344
 Unscaled step for mode   83=        0.0000002042
 Unscaled step for mode   84=        0.0000005596
 Unscaled step for mode   85=       -0.0000006036
 Unscaled step for mode   86=       -0.0000000630
 Unscaled step for mode   87=       -0.0000006514
 Unscaled step for mode   88=        0.0000000833
 Unscaled step for mode   89=        0.0000008287
 Unscaled step for mode   90=        0.0000006792
 Unscaled step for mode   91=        0.0000001112
 Unscaled step for mode   92=        0.0000011017
 Unscaled step for mode   93=       -0.0000005165
 Unscaled step for mode   94=       -0.0000009171
 Unscaled step for mode   95=       -0.0000004537
 Unscaled step for mode   96=        0.0000001420
 Unscaled step for mode   97=       -0.0000009882
 Unscaled step for mode   98=       -0.0000010894
 Unscaled step for mode   99=        0.0000032908
 Unscaled step for mode  100=       -0.0000027293
 Unscaled step for mode  101=       -0.0000006140
 Unscaled step for mode  102=       -0.0000034684
 Unscaled step for mode  103=        0.0000007116
 Unscaled step for mode  104=        0.0000031921
 Unscaled step for mode  105=        0.0000025454
 Unscaled step for mode  106=       -0.0000007580
 Unscaled step for mode  107=       -0.0000053993
 Unscaled step for mode  108=        0.0000000179
 Unscaled step for mode  109=        0.0000052037
 Unscaled step for mode  110=       -0.0005416266
 Unscaled step for mode  111=       -0.0003444325
 Unscaled step for mode  112=        0.0007944372
 Unscaled step for mode  113=       -0.0030554179
 Unscaled step for mode  114=        0.1538006840
 Largest modulus ratio of non-zero e/values=           174.4785942    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.140729E-15    0.101899E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.950086E-15    0.100710E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.235597E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.100224E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.929075E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.607370E-15    0.973907E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.440090E-05    0.733782E+03  0.599756E-08 0.100000E-04    0.993137E+00
   8   -0.485822E-05    0.673634E+03  0.721196E-08 0.100000E-04    0.999873E+00
   9   -0.204500E-06    0.627034E+03  0.326139E-09 0.100000E-04    0.904269E+00
  10    0.204923E-05    0.604108E+03 -0.339217E-08 0.100000E-04    0.989305E+00
  11   -0.149078E-05    0.588209E+03  0.253444E-08 0.100000E-04    0.979381E+00
  12   -0.228536E-05    0.571716E+03  0.399737E-08 0.100000E-04    0.990548E+00
  13   -0.355950E-05    0.566947E+03  0.627837E-08 0.100000E-04    0.996548E+00
  14   -0.140686E-05    0.483080E+03  0.291228E-08 0.100000E-04    0.990564E+00
  15    0.185671E-05    0.464903E+03 -0.399376E-08 0.100000E-04    0.989616E+00
  16    0.611316E-05    0.461260E+03 -0.132532E-07 0.100000E-04    0.994450E+00
  17    0.448636E-05    0.441401E+03 -0.101639E-07 0.100000E-04    0.988878E+00
  18    0.504874E-05    0.429629E+03 -0.117514E-07 0.100000E-04    0.991282E+00
  19   -0.164211E-04    0.421858E+03  0.389256E-07 0.100000E-04    0.996134E+00
  20    0.748981E-05    0.408012E+03 -0.183568E-07 0.100000E-04    0.996844E+00
  21    0.709360E-05    0.397361E+03 -0.178518E-07 0.100000E-04    0.996669E+00
  22   -0.742699E-05    0.388823E+03  0.191012E-07 0.100000E-04    0.998652E+00
  23    0.484181E-06    0.367947E+03 -0.131590E-08 0.100000E-04    0.914029E+00
  24   -0.188382E-05    0.361694E+03  0.520832E-08 0.100000E-04    0.999183E+00
  25   -0.201444E-04    0.350796E+03  0.574249E-07 0.100000E-04    0.996165E+00
  26   -0.328866E-04    0.336071E+03  0.978562E-07 0.100000E-04    0.997819E+00
  27   -0.165711E-04    0.326005E+03  0.508310E-07 0.100000E-04    0.997338E+00
  28    0.139728E-04    0.321442E+03 -0.434691E-07 0.100000E-04    0.994314E+00
  29    0.104659E-04    0.320272E+03 -0.326783E-07 0.100000E-04    0.983057E+00
  30   -0.248510E-04    0.312520E+03  0.795182E-07 0.100000E-04    0.998354E+00
  31   -0.148825E-04    0.303881E+03  0.489749E-07 0.100000E-04    0.996134E+00
  32   -0.636953E-05    0.288638E+03  0.220676E-07 0.100000E-04    0.998935E+00
  33    0.119512E-04    0.278754E+03 -0.428738E-07 0.100000E-04    0.996206E+00
  34    0.106672E-04    0.270781E+03 -0.393942E-07 0.100000E-04    0.993671E+00
  35    0.239095E-04    0.266933E+03 -0.895710E-07 0.100000E-04    0.998526E+00
  36    0.176482E-04    0.264268E+03 -0.667816E-07 0.100000E-04    0.999567E+00
  37   -0.182154E-04    0.259672E+03  0.701477E-07 0.100000E-04    0.996145E+00
  38   -0.753496E-06    0.253920E+03  0.296745E-08 0.100000E-04    0.956608E+00
  39   -0.193796E-04    0.242239E+03  0.800018E-07 0.100000E-04    0.997235E+00
  40   -0.113723E-04    0.238323E+03  0.477181E-07 0.100000E-04    0.987886E+00
  41   -0.387199E-04    0.235001E+03  0.164765E-06 0.100000E-04    0.998733E+00
  42   -0.120201E-04    0.228487E+03  0.526072E-07 0.100000E-04    0.998892E+00
  43   -0.143178E-04    0.220059E+03  0.650637E-07 0.100000E-04    0.996714E+00
  44   -0.252399E-04    0.213808E+03  0.118049E-06 0.100000E-04    0.998774E+00
  45    0.799171E-06    0.212334E+03 -0.376374E-08 0.100000E-04    0.956687E+00
  46    0.244799E-04    0.207331E+03 -0.118072E-06 0.100000E-04    0.996790E+00
  47   -0.298272E-04    0.203559E+03  0.146528E-06 0.100000E-04    0.998091E+00
  48    0.493834E-05    0.197473E+03 -0.250077E-07 0.100000E-04    0.986993E+00
  49   -0.247905E-04    0.195256E+03  0.126964E-06 0.100000E-04    0.998680E+00
  50    0.947058E-05    0.191519E+03 -0.494500E-07 0.100000E-04    0.987382E+00
  51   -0.160931E-04    0.184225E+03  0.873558E-07 0.100000E-04    0.997184E+00
  52   -0.341806E-05    0.175027E+03  0.195287E-07 0.100000E-04    0.990977E+00
  53    0.129601E-04    0.171877E+03 -0.754029E-07 0.100000E-04    0.993947E+00
  54    0.175237E-04    0.167554E+03 -0.104585E-06 0.100000E-04    0.995141E+00
  55    0.202740E-04    0.164996E+03 -0.122876E-06 0.100000E-04    0.999903E+00
  56    0.585393E-05    0.158950E+03 -0.368288E-07 0.100000E-04    0.988851E+00
  57   -0.103339E-04    0.153989E+03  0.671084E-07 0.100000E-04    0.988167E+00
  58   -0.240316E-04    0.151362E+03  0.158769E-06 0.100000E-04    0.998287E+00
  59    0.129150E-05    0.148615E+03 -0.869026E-08 0.100000E-04    0.975017E+00
  60    0.223658E-04    0.143281E+03 -0.156097E-06 0.100000E-04    0.996257E+00
  61   -0.277024E-04    0.137123E+03  0.202025E-06 0.100000E-04    0.991618E+00
  62    0.296753E-04    0.135830E+03 -0.218474E-06 0.100000E-04    0.998823E+00
  63   -0.229702E-04    0.130660E+03  0.175801E-06 0.100000E-04    0.996090E+00
  64   -0.263919E-04    0.128076E+03  0.206065E-06 0.100000E-04    0.993854E+00
  65    0.187146E-04    0.126123E+03 -0.148384E-06 0.100000E-04    0.984661E+00
  66    0.207127E-04    0.125558E+03 -0.164966E-06 0.100000E-04    0.994024E+00
  67   -0.722821E-05    0.119749E+03  0.603612E-07 0.100000E-04    0.993566E+00
  68   -0.924126E-05    0.118074E+03  0.782669E-07 0.100000E-04    0.994828E+00
  69    0.581597E-05    0.117028E+03 -0.496973E-07 0.100000E-04    0.988889E+00
  70    0.260888E-04    0.110999E+03 -0.235036E-06 0.100000E-04    0.999592E+00
  71   -0.567538E-05    0.107846E+03  0.526246E-07 0.100000E-04    0.997493E+00
  72   -0.584269E-04    0.104746E+03  0.557798E-06 0.100000E-04    0.996091E+00
  73    0.278111E-04    0.103089E+03 -0.269778E-06 0.100000E-04    0.996259E+00
  74   -0.286561E-04    0.997721E+02  0.287216E-06 0.100000E-04    0.999273E+00
  75    0.736197E-04    0.958797E+02 -0.767834E-06 0.100000E-04    0.995838E+00
  76   -0.295297E-05    0.947906E+02  0.311526E-07 0.100000E-04    0.841017E+00
  77   -0.579991E-04    0.929881E+02  0.623726E-06 0.100000E-04    0.998640E+00
  78    0.312781E-05    0.905134E+02 -0.345563E-07 0.100000E-04    0.933601E+00
  79    0.965218E-05    0.896951E+02 -0.107611E-06 0.100000E-04    0.994741E+00
  80    0.218702E-04    0.850022E+02 -0.257290E-06 0.100000E-04    0.997265E+00
  81    0.220900E-04    0.809130E+02 -0.273009E-06 0.100000E-04    0.998953E+00
  82    0.274884E-05    0.798215E+02 -0.344374E-07 0.100000E-04    0.972146E+00
  83   -0.159826E-04    0.782872E+02  0.204153E-06 0.100000E-04    0.996714E+00
  84   -0.407373E-04    0.727944E+02  0.559622E-06 0.100000E-04    0.993639E+00
  85    0.436002E-04    0.722358E+02 -0.603581E-06 0.100000E-04    0.996292E+00
  86    0.429853E-05    0.682807E+02 -0.629539E-07 0.100000E-04    0.936435E+00
  87    0.433221E-04    0.665079E+02 -0.651383E-06 0.100000E-04    0.995617E+00
  88   -0.526559E-05    0.631873E+02  0.833331E-07 0.100000E-04    0.989482E+00
  89   -0.498142E-04    0.601147E+02  0.828652E-06 0.100000E-04    0.996725E+00
  90   -0.405648E-04    0.597252E+02  0.679190E-06 0.100000E-04    0.980897E+00
  91   -0.656632E-05    0.590707E+02  0.111160E-06 0.100000E-04    0.955886E+00
  92   -0.617375E-04    0.560398E+02  0.110167E-05 0.100000E-04    0.999110E+00
  93    0.272539E-04    0.527689E+02 -0.516477E-06 0.100000E-04    0.995422E+00
  94    0.479587E-04    0.522912E+02 -0.917147E-06 0.100000E-04    0.996900E+00
  95    0.227162E-04    0.500704E+02 -0.453686E-06 0.100000E-04    0.996455E+00
  96   -0.674670E-05    0.475233E+02  0.141966E-06 0.100000E-04    0.970562E+00
  97    0.423718E-04    0.428796E+02 -0.988158E-06 0.100000E-04    0.990623E+00
  98    0.440135E-04    0.404000E+02 -0.108944E-05 0.100000E-04    0.993179E+00
  99   -0.123204E-03    0.374388E+02  0.329081E-05 0.100000E-04    0.995649E+00
 100    0.987473E-04    0.361799E+02 -0.272934E-05 0.100000E-04    0.999664E+00
 101    0.212240E-04    0.345648E+02 -0.614035E-06 0.100000E-04    0.974908E+00
 102    0.999328E-04    0.288127E+02 -0.346836E-05 0.100000E-04    0.997132E+00
 103   -0.203861E-04    0.286478E+02  0.711613E-06 0.100000E-04    0.987884E+00
 104   -0.876436E-04    0.274568E+02  0.319206E-05 0.100000E-04    0.997754E+00
 105   -0.585267E-04    0.229933E+02  0.254538E-05 0.100000E-04    0.991076E+00
 106    0.161875E-04    0.213543E+02 -0.758043E-06 0.100000E-04    0.933373E+00
 107    0.110271E-03    0.204231E+02 -0.539930E-05 0.100000E-04    0.996619E+00
 108   -0.301709E-06    0.168121E+02  0.179459E-07 0.109000E-04    0.195169E+00
 109   -0.717692E-04    0.137919E+02  0.520370E-05 0.100000E-04    0.988934E+00
 110    0.663322E-02    0.122468E+02 -0.100000E-04 0.100000E-04    0.442258E+00
 111    0.340954E-02    0.989902E+01 -0.100000E-04 0.100000E-04    0.703385E+00
 112   -0.706970E-02    0.889900E+01  0.109000E-04 0.109000E-04    0.126445E+00
 113    0.217180E-01    0.710797E+01 -0.167746E-04 0.167746E-04    0.124084E+00
 114    0.662491E+00    0.420557E+01  0.400000E-03 0.400000E-03    0.587709E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1538006840    

 Beginning of optimization cycle  336.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3548745490
 potential> RMS force:                                               0.0622454684   |gradient|=.6645997371    
 Eigenvalues of the Hessian matrix:
   733.84493    673.64273    627.04596    604.09926    588.19944    571.75926 
   566.95199    483.10576    464.88013    461.25371    441.40238    429.62129 
   421.86209    408.01969    397.35621    388.82125    367.95427    361.68539 
   350.78857    336.05265    326.01812    321.44055    320.27478    312.49592 
   303.86869    288.64694    278.74870    270.78485    266.94201    264.27512 
   259.68723    253.92144    242.23492    238.33558    234.98821    228.48324 
   220.03823    213.81606    212.34061    207.32569    203.56016    197.46592 
   195.25237    191.51714    184.21514    175.01666    171.88308    167.55507 
   164.98840    158.93925    153.99372    151.36733    148.60632    143.28379 
   137.12611    135.83310    130.65862    128.08020    126.12520    125.55507 
   119.75104    118.07465    117.02942    110.99330    107.83832    104.74276 
   103.08932     99.77082     95.87496     94.78173     93.00050     90.51729 
    89.69048     85.00509     80.91279     79.82379     78.28595     72.79614 
    72.24047     68.28015     66.49536     63.18351     60.10710     59.72498 
    59.07099     56.04023     52.76560     52.29195     50.06923     47.51875 
    42.87881     40.40256     37.44310     36.18297     34.55278     28.81225 
    28.64654     27.44869     22.99504     21.34792     20.42774     16.81166 
    13.79235     12.24658      9.90045      8.89236      7.10135      4.20063 
overlap for current and previous eigenvector    109 is        -0.9999996663
overlap for current and previous eigenvector    110 is         0.9999995223
overlap for current and previous eigenvector    111 is        -0.9999983899
overlap for current and previous eigenvector    112 is        -0.9999926613
overlap for current and previous eigenvector    113 is         0.9999940836
overlap for current and previous eigenvector    114 is        -0.9999997227
J1,K1,R1,R2,RAT=   7   7   -0.7038861181E-02     2.006867929        0.9929611388    
FOB,PFOB,DIAG,PSTEP=   -0.4431879210E-05   -0.4400899244E-05     733.8449257        0.5997555138E-08
J1,K1,R1,R2,RAT=   8   8   -0.7297067023E-02     2.007271482        0.9927029330    
FOB,PFOB,DIAG,PSTEP=   -0.4893673657E-05   -0.4858222429E-05     673.6427330        0.7211960200E-08
J1,K1,R1,R2,RAT=   9   9   -0.2041384184         2.204099582        0.7958615816    
FOB,PFOB,DIAG,PSTEP=   -0.2462472171E-06   -0.2045000830E-06     627.0459585        0.3261388600E-09
J1,K1,R1,R2,RAT=  10  10    0.2334530981E-02     1.997693313        0.9976654690    
FOB,PFOB,DIAG,PSTEP=    0.2044449326E-05    0.2049233258E-05     604.0992650       -0.3392165572E-08
J1,K1,R1,R2,RAT=  11  11    0.1104245953E-01     1.988991127        0.9889575405    
FOB,PFOB,DIAG,PSTEP=   -0.1474317298E-05   -0.1490778887E-05     588.1994369        0.2534436041E-08
J1,K1,R1,R2,RAT= 109 109     2.007603358       -0.7663379033E-02    0.9923366210    
FOB,PFOB,DIAG,PSTEP=    0.7231918183E-04   -0.7176917097E-04     13.79235272        0.5203704281E-05
J1,K1,R1,R2,RAT= 110 110   -0.5507660850         108.8783936        0.4492339150    
FOB,PFOB,DIAG,PSTEP=    0.6700665725E-02    0.6633215707E-02     12.24658170       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     68.58611271        0.2904467584        0.7095532416    
FOB,PFOB,DIAG,PSTEP=   -0.3380788499E-02    0.3409544030E-02     9.900448153       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     146.6622826       -0.7849821573        0.2150178427    
FOB,PFOB,DIAG,PSTEP=    0.7145788381E-02   -0.7069702651E-02     8.892357773        0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7951547092         365.4296630        0.2048452908    
FOB,PFOB,DIAG,PSTEP=    0.2181275248E-01    0.2171803191E-01     7.101345902       -0.1677459440E-04
J1,K1,R1,R2,RAT= 114 114    -789.5547324        0.9938916342        0.6108365781E-02
FOB,PFOB,DIAG,PSTEP=   -0.6641607531        0.6624907639         4.200631896        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00001     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00002     -0.00003      0.00000 
    -0.00002      0.00001     -0.00002     -0.00000     -0.00001      0.00002 
    -0.00002     -0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001      0.00003     -0.00001     -0.00006 
     0.00003     -0.00003      0.00007     -0.00000     -0.00006      0.00000 
    -0.00001      0.00002      0.00002      0.00000     -0.00002     -0.00004 
     0.00004      0.00000      0.00004     -0.00001     -0.00005     -0.00004 
    -0.00001      0.00006      0.00003      0.00005     -0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00002      0.00011     -0.00000 
     0.00007      0.00670     -0.00338      0.00715      0.02181     -0.66416 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4248789621
 Log product of positive Hessian eigenvalues =          519.7930981248
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.2006318957
 Unscaled step for mode    7=        0.0000000060
 Unscaled step for mode    8=        0.0000000073
 Unscaled step for mode    9=        0.0000000004
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000042
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000028
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000133
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000390
 Unscaled step for mode   20=       -0.0000000182
 Unscaled step for mode   21=       -0.0000000178
 Unscaled step for mode   22=        0.0000000193
 Unscaled step for mode   23=       -0.0000000015
 Unscaled step for mode   24=        0.0000000054
 Unscaled step for mode   25=        0.0000000575
 Unscaled step for mode   26=        0.0000000980
 Unscaled step for mode   27=        0.0000000509
 Unscaled step for mode   28=       -0.0000000436
 Unscaled step for mode   29=       -0.0000000333
 Unscaled step for mode   30=        0.0000000797
 Unscaled step for mode   31=        0.0000000493
 Unscaled step for mode   32=        0.0000000223
 Unscaled step for mode   33=       -0.0000000430
 Unscaled step for mode   34=       -0.0000000397
 Unscaled step for mode   35=       -0.0000000897
 Unscaled step for mode   36=       -0.0000000673
 Unscaled step for mode   37=        0.0000000703
 Unscaled step for mode   38=        0.0000000027
 Unscaled step for mode   39=        0.0000000801
 Unscaled step for mode   40=        0.0000000487
 Unscaled step for mode   41=        0.0000001655
 Unscaled step for mode   42=        0.0000000532
 Unscaled step for mode   43=        0.0000000655
 Unscaled step for mode   44=        0.0000001190
 Unscaled step for mode   45=       -0.0000000037
 Unscaled step for mode   46=       -0.0000001187
 Unscaled step for mode   47=        0.0000001468
 Unscaled step for mode   48=       -0.0000000250
 Unscaled step for mode   49=        0.0000001275
 Unscaled step for mode   50=       -0.0000000490
 Unscaled step for mode   51=        0.0000000876
 Unscaled step for mode   52=        0.0000000197
 Unscaled step for mode   53=        0.0000000754
 Unscaled step for mode   54=       -0.0000001050
 Unscaled step for mode   55=        0.0000001231
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=        0.0000000671
 Unscaled step for mode   58=        0.0000001591
 Unscaled step for mode   59=       -0.0000000093
 Unscaled step for mode   60=       -0.0000001562
 Unscaled step for mode   61=        0.0000002024
 Unscaled step for mode   62=       -0.0000002181
 Unscaled step for mode   63=        0.0000001752
 Unscaled step for mode   64=        0.0000002071
 Unscaled step for mode   65=       -0.0000001491
 Unscaled step for mode   66=       -0.0000001639
 Unscaled step for mode   67=        0.0000000615
 Unscaled step for mode   68=        0.0000000781
 Unscaled step for mode   69=       -0.0000000497
 Unscaled step for mode   70=       -0.0000002363
 Unscaled step for mode   71=        0.0000000532
 Unscaled step for mode   72=        0.0000005600
 Unscaled step for mode   73=       -0.0000002701
 Unscaled step for mode   74=        0.0000002865
 Unscaled step for mode   75=       -0.0000007703
 Unscaled step for mode   76=        0.0000000251
 Unscaled step for mode   77=        0.0000006210
 Unscaled step for mode   78=       -0.0000000353
 Unscaled step for mode   79=        0.0000001071
 Unscaled step for mode   80=       -0.0000002571
 Unscaled step for mode   81=       -0.0000002741
 Unscaled step for mode   82=       -0.0000000369
 Unscaled step for mode   83=        0.0000002037
 Unscaled step for mode   84=        0.0000005611
 Unscaled step for mode   85=       -0.0000006013
 Unscaled step for mode   86=       -0.0000000654
 Unscaled step for mode   87=       -0.0000006502
 Unscaled step for mode   88=        0.0000000863
 Unscaled step for mode   89=        0.0000008221
 Unscaled step for mode   90=        0.0000006858
 Unscaled step for mode   91=        0.0000001135
 Unscaled step for mode   92=       -0.0000011017
 Unscaled step for mode   93=       -0.0000005115
 Unscaled step for mode   94=       -0.0000009199
 Unscaled step for mode   95=        0.0000004511
 Unscaled step for mode   96=        0.0000001417
 Unscaled step for mode   97=       -0.0000009836
 Unscaled step for mode   98=       -0.0000010909
 Unscaled step for mode   99=        0.0000032858
 Unscaled step for mode  100=       -0.0000027165
 Unscaled step for mode  101=       -0.0000006119
 Unscaled step for mode  102=       -0.0000034680
 Unscaled step for mode  103=        0.0000007290
 Unscaled step for mode  104=        0.0000032181
 Unscaled step for mode  105=        0.0000025391
 Unscaled step for mode  106=       -0.0000007437
 Unscaled step for mode  107=       -0.0000053523
 Unscaled step for mode  108=        0.0000000420
 Unscaled step for mode  109=       -0.0000052434
 Unscaled step for mode  110=       -0.0005471456
 Unscaled step for mode  111=        0.0003414783
 Unscaled step for mode  112=       -0.0008035871
 Unscaled step for mode  113=       -0.0030716074
 Unscaled step for mode  114=       -0.1543432599
 Largest modulus ratio of non-zero e/values=           174.6986986    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.376435E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.127502E-14    0.100710E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.131188E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.661580E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.747905E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.171033E-15    0.973908E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.443188E-05    0.733845E+03  0.603926E-08 0.100000E-04    0.992961E+00
   8   -0.489367E-05    0.673643E+03  0.726449E-08 0.100000E-04    0.992703E+00
   9   -0.246247E-06    0.627046E+03  0.392710E-09 0.100000E-04    0.795862E+00
  10    0.204445E-05    0.604099E+03 -0.338429E-08 0.100000E-04    0.997665E+00
  11   -0.147432E-05    0.588199E+03  0.250649E-08 0.100000E-04    0.988958E+00
  12   -0.237723E-05    0.571759E+03  0.415775E-08 0.100000E-04    0.959805E+00
  13   -0.355226E-05    0.566952E+03  0.626554E-08 0.100000E-04    0.997948E+00
  14   -0.134392E-05    0.483106E+03  0.278183E-08 0.100000E-04    0.955155E+00
  15    0.184115E-05    0.464880E+03 -0.396048E-08 0.100000E-04    0.991616E+00
  16    0.612520E-05    0.461254E+03 -0.132795E-07 0.100000E-04    0.998030E+00
  17    0.446099E-05    0.441402E+03 -0.101064E-07 0.100000E-04    0.994338E+00
  18    0.501221E-05    0.429621E+03 -0.116666E-07 0.100000E-04    0.992766E+00
  19   -0.164433E-04    0.421862E+03  0.389778E-07 0.100000E-04    0.998650E+00
  20    0.743002E-05    0.408020E+03 -0.182100E-07 0.100000E-04    0.991981E+00
  21    0.705686E-05    0.397356E+03 -0.177595E-07 0.100000E-04    0.994822E+00
  22   -0.749644E-05    0.388821E+03  0.192799E-07 0.100000E-04    0.990649E+00
  23    0.542718E-06    0.367954E+03 -0.147496E-08 0.100000E-04    0.879106E+00
  24   -0.194898E-05    0.361685E+03  0.538860E-08 0.100000E-04    0.965410E+00
  25   -0.201659E-04    0.350789E+03  0.574874E-07 0.100000E-04    0.998933E+00
  26   -0.329404E-04    0.336053E+03  0.980217E-07 0.100000E-04    0.998362E+00
  27   -0.165855E-04    0.326018E+03  0.508729E-07 0.100000E-04    0.999134E+00
  28    0.140160E-04    0.321441E+03 -0.436038E-07 0.100000E-04    0.996905E+00
  29    0.106506E-04    0.320275E+03 -0.332545E-07 0.100000E-04    0.982360E+00
  30   -0.249008E-04    0.312496E+03  0.796837E-07 0.100000E-04    0.997994E+00
  31   -0.149869E-04    0.303869E+03  0.493202E-07 0.100000E-04    0.992990E+00
  32   -0.644164E-05    0.288647E+03  0.223167E-07 0.100000E-04    0.988680E+00
  33    0.119877E-04    0.278749E+03 -0.430054E-07 0.100000E-04    0.996950E+00
  34    0.107385E-04    0.270785E+03 -0.396570E-07 0.100000E-04    0.993316E+00
  35    0.239554E-04    0.266942E+03 -0.897403E-07 0.100000E-04    0.998077E+00
  36    0.177729E-04    0.264275E+03 -0.672516E-07 0.100000E-04    0.992935E+00
  37   -0.182552E-04    0.259687E+03  0.702969E-07 0.100000E-04    0.997816E+00
  38   -0.693421E-06    0.253921E+03  0.273085E-08 0.100000E-04    0.920262E+00
  39   -0.194028E-04    0.242235E+03  0.800991E-07 0.100000E-04    0.998801E+00
  40   -0.116032E-04    0.238336E+03  0.486842E-07 0.100000E-04    0.979703E+00
  41   -0.388919E-04    0.234988E+03  0.165506E-06 0.100000E-04    0.995557E+00
  42   -0.121517E-04    0.228483E+03  0.531842E-07 0.100000E-04    0.989050E+00
  43   -0.144212E-04    0.220038E+03  0.655396E-07 0.100000E-04    0.992780E+00
  44   -0.254492E-04    0.213816E+03  0.119024E-06 0.100000E-04    0.991707E+00
  45    0.783118E-06    0.212341E+03 -0.368803E-08 0.100000E-04    0.979856E+00
  46    0.246141E-04    0.207326E+03 -0.118722E-06 0.100000E-04    0.994516E+00
  47   -0.298805E-04    0.203560E+03  0.146789E-06 0.100000E-04    0.998212E+00
  48    0.494393E-05    0.197466E+03 -0.250369E-07 0.100000E-04    0.998869E+00
  49   -0.248969E-04    0.195252E+03  0.127512E-06 0.100000E-04    0.995707E+00
  50    0.938221E-05    0.191517E+03 -0.489889E-07 0.100000E-04    0.990669E+00
  51   -0.161292E-04    0.184215E+03  0.875561E-07 0.100000E-04    0.997762E+00
  52   -0.345230E-05    0.175017E+03  0.197256E-07 0.100000E-04    0.989983E+00
  53   -0.129611E-04    0.171883E+03  0.754065E-07 0.100000E-04    0.999919E+00
  54    0.175936E-04    0.167555E+03 -0.105002E-06 0.100000E-04    0.996008E+00
  55   -0.203128E-04    0.164988E+03  0.123116E-06 0.100000E-04    0.998087E+00
  56   -0.591532E-05    0.158939E+03  0.372175E-07 0.100000E-04    0.989511E+00
  57   -0.103380E-04    0.153994E+03  0.671327E-07 0.100000E-04    0.999605E+00
  58   -0.240846E-04    0.151367E+03  0.159113E-06 0.100000E-04    0.997794E+00
  59    0.137527E-05    0.148606E+03 -0.925443E-08 0.100000E-04    0.935135E+00
  60    0.223806E-04    0.143284E+03 -0.156197E-06 0.100000E-04    0.999338E+00
  61   -0.277493E-04    0.137126E+03  0.202364E-06 0.100000E-04    0.998305E+00
  62    0.296188E-04    0.135833E+03 -0.218053E-06 0.100000E-04    0.998054E+00
  63   -0.228952E-04    0.130659E+03  0.175229E-06 0.100000E-04    0.996734E+00
  64   -0.265297E-04    0.128080E+03  0.207133E-06 0.100000E-04    0.994780E+00
  65    0.187999E-04    0.126125E+03 -0.149058E-06 0.100000E-04    0.995440E+00
  66    0.205847E-04    0.125555E+03 -0.163949E-06 0.100000E-04    0.993817E+00
  67   -0.736460E-05    0.119751E+03  0.614993E-07 0.100000E-04    0.981131E+00
  68   -0.921690E-05    0.118075E+03  0.780600E-07 0.100000E-04    0.997349E+00
  69    0.581630E-05    0.117029E+03 -0.496995E-07 0.100000E-04    0.999942E+00
  70    0.262302E-04    0.110993E+03 -0.236323E-06 0.100000E-04    0.994577E+00
  71   -0.573251E-05    0.107838E+03  0.531584E-07 0.100000E-04    0.989934E+00
  72   -0.586581E-04    0.104743E+03  0.560020E-06 0.100000E-04    0.996043E+00
  73    0.278402E-04    0.103089E+03 -0.270059E-06 0.100000E-04    0.998953E+00
  74   -0.285832E-04    0.997708E+02  0.286488E-06 0.100000E-04    0.997454E+00
  75    0.738493E-04    0.958750E+02 -0.770267E-06 0.100000E-04    0.996881E+00
  76   -0.237700E-05    0.947817E+02  0.250787E-07 0.100000E-04    0.804933E+00
  77   -0.577528E-04    0.930005E+02  0.620994E-06 0.100000E-04    0.995488E+00
  78    0.319442E-05    0.905173E+02 -0.352907E-07 0.100000E-04    0.978704E+00
  79   -0.960346E-05    0.896905E+02  0.107073E-06 0.100000E-04    0.994952E+00
  80    0.218555E-04    0.850051E+02 -0.257108E-06 0.100000E-04    0.999259E+00
  81    0.221742E-04    0.809128E+02 -0.274050E-06 0.100000E-04    0.996189E+00
  82    0.294820E-05    0.798238E+02 -0.369339E-07 0.100000E-04    0.927477E+00
  83   -0.159492E-04    0.782859E+02  0.203730E-06 0.100000E-04    0.997910E+00
  84   -0.408445E-04    0.727961E+02  0.561080E-06 0.100000E-04    0.997369E+00
  85    0.434379E-04    0.722405E+02 -0.601295E-06 0.100000E-04    0.996148E+00
  86    0.446439E-05    0.682801E+02 -0.653835E-07 0.100000E-04    0.961415E+00
  87    0.432337E-04    0.664954E+02 -0.650176E-06 0.100000E-04    0.997958E+00
  88   -0.545478E-05    0.631835E+02  0.863323E-07 0.100000E-04    0.964069E+00
  89   -0.494147E-04    0.601071E+02  0.822110E-06 0.100000E-04    0.991978E+00
  90   -0.409571E-04    0.597250E+02  0.685761E-06 0.100000E-04    0.990329E+00
  91   -0.670455E-05    0.590710E+02  0.113500E-06 0.100000E-04    0.978949E+00
  92    0.617375E-04    0.560402E+02 -0.110166E-05 0.100000E-04    0.999983E+00
  93    0.269922E-04    0.527656E+02 -0.511549E-06 0.100000E-04    0.990397E+00
  94    0.481033E-04    0.522919E+02 -0.919899E-06 0.100000E-04    0.996985E+00
  95   -0.225845E-04    0.500692E+02  0.451066E-06 0.100000E-04    0.994203E+00
  96   -0.673432E-05    0.475187E+02  0.141719E-06 0.100000E-04    0.998165E+00
  97    0.421739E-04    0.428788E+02 -0.983561E-06 0.100000E-04    0.995331E+00
  98    0.440741E-04    0.404026E+02 -0.109087E-05 0.100000E-04    0.998623E+00
  99   -0.123029E-03    0.374431E+02  0.328576E-05 0.100000E-04    0.998350E+00
 100    0.982897E-04    0.361830E+02 -0.271646E-05 0.100000E-04    0.995195E+00
 101    0.211438E-04    0.345528E+02 -0.611927E-06 0.100000E-04    0.996219E+00
 102    0.999209E-04    0.288122E+02 -0.346800E-05 0.100000E-04    0.999881E+00
 103   -0.208838E-04    0.286465E+02  0.729015E-06 0.100000E-04    0.975589E+00
 104   -0.883316E-04    0.274487E+02  0.321806E-05 0.100000E-04    0.992148E+00
 105   -0.583861E-04    0.229950E+02  0.253907E-05 0.100000E-04    0.997442E+00
 106    0.158755E-04    0.213479E+02 -0.743655E-06 0.100000E-04    0.980720E+00
 107    0.109335E-03    0.204277E+02 -0.535230E-05 0.100000E-04    0.991069E+00
 108   -0.705949E-06    0.168117E+02  0.419917E-07 0.100000E-04    0.339876E+00
 109    0.723192E-04    0.137924E+02 -0.524343E-05 0.100000E-04    0.992337E+00
 110    0.670067E-02    0.122466E+02 -0.100000E-04 0.100000E-04    0.449234E+00
 111   -0.338079E-02    0.990045E+01  0.100000E-04 0.100000E-04    0.709553E+00
 112    0.714579E-02    0.889236E+01 -0.100000E-04 0.100000E-04    0.215018E+00
 113    0.218128E-01    0.710135E+01 -0.151122E-04 0.151122E-04    0.204845E+00
 114   -0.664161E+00    0.420063E+01 -0.400000E-03 0.400000E-03    0.610837E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1543432599    

 Beginning of optimization cycle  337.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3546090499
 potential> RMS force:                                               0.0624020481   |gradient|=.6662715509    
 Eigenvalues of the Hessian matrix:
   733.90762    673.65145    627.05800    604.09084    588.18962    571.80220 
   566.95737    483.13142    464.85692    461.24705    441.40400    429.61371 
   421.86607    408.02733    397.35118    388.82001    367.96181    361.67673 
   350.78129    336.03477    326.03120    321.43946    320.27784    312.47247 
   303.85627    288.65615    278.74360    270.78854    266.95079    264.28204 
   259.70203    253.92271    242.23061    238.34786    234.97559    228.47901 
   220.01743    213.82375    212.34681    207.32069    203.56126    197.45900 
   195.24896    191.51565    184.20508    175.00587    171.88864    167.55579 
   164.98111    158.92868    153.99881    151.37291    148.59807    143.28611 
   137.12881    135.83574    130.65704    128.08473    126.12792    125.55255 
   119.75283    118.07552    117.03091    110.98749    107.83023    104.73984 
   103.08969     99.76956     95.87040     94.77270     93.01286     90.52116 
    89.68579     85.00797     80.91256     79.82607     78.28475     72.79798 
    72.24523     68.27965     66.48289     63.17965     60.09959     59.72462 
    59.07123     56.04069     52.76236     52.29275     50.06806     47.51417 
    42.87806     40.40511     37.44738     36.18606     34.54082     28.81182 
    28.64528     27.44058     22.99683     21.34154     20.43231     16.81117 
    13.79276     12.24633      9.90189      8.88564      7.09467      4.19568 
overlap for current and previous eigenvector    109 is         0.9999996647
overlap for current and previous eigenvector    110 is         0.9999995236
overlap for current and previous eigenvector    111 is         0.9999984362
overlap for current and previous eigenvector    112 is         0.9999926422
overlap for current and previous eigenvector    113 is         0.9999940232
overlap for current and previous eigenvector    114 is         0.9999997300
J1,K1,R1,R2,RAT=   7   7   -0.6803142786E-02     2.006632287        0.9931968572    
FOB,PFOB,DIAG,PSTEP=   -0.4462032493E-05   -0.4431879210E-05     733.9076218        0.6039258507E-08
J1,K1,R1,R2,RAT=   8   8    0.2069326840E-04     1.999953422        0.9999534223    
FOB,PFOB,DIAG,PSTEP=   -0.4893572390E-05   -0.4893673657E-05     673.6514515        0.7264494097E-08
J1,K1,R1,R2,RAT=   9   9    0.8857934392E-01     1.911382263        0.9113822627    
FOB,PFOB,DIAG,PSTEP=   -0.2244343814E-06   -0.2462472171E-06     627.0579959        0.3927099980E-09
J1,K1,R1,R2,RAT=  10  10   -0.1040248381E-01     2.010430386        0.9895975162    
FOB,PFOB,DIAG,PSTEP=    0.2065716380E-05    0.2044449326E-05     604.0908371       -0.3384293682E-08
J1,K1,R1,R2,RAT=  11  11   -0.2052270954E-01     2.020556105        0.9794772905    
FOB,PFOB,DIAG,PSTEP=   -0.1504573778E-05   -0.1474317298E-05     588.1896154        0.2506492195E-08
J1,K1,R1,R2,RAT= 109 109    0.1100962954E-01     1.988930777        0.9889307767    
FOB,PFOB,DIAG,PSTEP=    0.7152295071E-04    0.7231918183E-04     13.79276370       -0.5243426073E-05
J1,K1,R1,R2,RAT= 110 110   -0.5623116675         109.9937399        0.4376883325    
FOB,PFOB,DIAG,PSTEP=    0.6769528255E-02    0.6700665725E-02     12.24632782       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3001252574         67.98562641        0.6998747426    
FOB,PFOB,DIAG,PSTEP=   -0.3351070440E-02   -0.3380788499E-02     9.901885581        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8721837749         161.7112585        0.1278162251    
FOB,PFOB,DIAG,PSTEP=    0.7223287467E-02    0.7145788381E-02     8.885637266       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9151427687         407.8071599        0.8485723133E-01
FOB,PFOB,DIAG,PSTEP=    0.2191087081E-01    0.2181275248E-01     7.094670794       -0.1511224721E-04
J1,K1,R1,R2,RAT= 114 114    0.9940638929        -792.4748699        0.5936107067E-02
FOB,PFOB,DIAG,PSTEP=   -0.6658290645       -0.6641607531         4.195684520       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00002     -0.00003      0.00001 
    -0.00002      0.00001     -0.00002     -0.00000     -0.00001      0.00002 
    -0.00002     -0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001      0.00003      0.00001      0.00006 
     0.00003     -0.00003      0.00007     -0.00000     -0.00006     -0.00000 
    -0.00001      0.00002     -0.00002     -0.00000     -0.00002     -0.00004 
     0.00004      0.00000     -0.00004      0.00001     -0.00005     -0.00004 
    -0.00001      0.00006      0.00003      0.00005     -0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00002      0.00011      0.00000 
     0.00007      0.00677     -0.00335      0.00722      0.02191     -0.66583 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4247228549
 Log product of positive Hessian eigenvalues =          519.7892593280
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1956845197
 Unscaled step for mode    7=        0.0000000061
 Unscaled step for mode    8=        0.0000000073
 Unscaled step for mode    9=        0.0000000004
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000041
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000028
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000134
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000118
 Unscaled step for mode   19=        0.0000000391
 Unscaled step for mode   20=       -0.0000000183
 Unscaled step for mode   21=       -0.0000000178
 Unscaled step for mode   22=        0.0000000193
 Unscaled step for mode   23=       -0.0000000014
 Unscaled step for mode   24=        0.0000000054
 Unscaled step for mode   25=        0.0000000577
 Unscaled step for mode   26=        0.0000000982
 Unscaled step for mode   27=        0.0000000510
 Unscaled step for mode   28=       -0.0000000438
 Unscaled step for mode   29=       -0.0000000338
 Unscaled step for mode   30=        0.0000000796
 Unscaled step for mode   31=        0.0000000495
 Unscaled step for mode   32=        0.0000000223
 Unscaled step for mode   33=       -0.0000000432
 Unscaled step for mode   34=       -0.0000000399
 Unscaled step for mode   35=       -0.0000000896
 Unscaled step for mode   36=       -0.0000000673
 Unscaled step for mode   37=        0.0000000706
 Unscaled step for mode   38=        0.0000000026
 Unscaled step for mode   39=        0.0000000803
 Unscaled step for mode   40=        0.0000000492
 Unscaled step for mode   41=        0.0000001657
 Unscaled step for mode   42=        0.0000000531
 Unscaled step for mode   43=        0.0000000658
 Unscaled step for mode   44=        0.0000001192
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001191
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000254
 Unscaled step for mode   49=        0.0000001277
 Unscaled step for mode   50=       -0.0000000496
 Unscaled step for mode   51=        0.0000000878
 Unscaled step for mode   52=        0.0000000199
 Unscaled step for mode   53=        0.0000000759
 Unscaled step for mode   54=       -0.0000001055
 Unscaled step for mode   55=        0.0000001231
 Unscaled step for mode   56=        0.0000000368
 Unscaled step for mode   57=        0.0000000679
 Unscaled step for mode   58=        0.0000001594
 Unscaled step for mode   59=       -0.0000000095
 Unscaled step for mode   60=       -0.0000001568
 Unscaled step for mode   61=        0.0000002040
 Unscaled step for mode   62=       -0.0000002178
 Unscaled step for mode   63=        0.0000001759
 Unscaled step for mode   64=        0.0000002084
 Unscaled step for mode   65=       -0.0000001512
 Unscaled step for mode   66=       -0.0000001630
 Unscaled step for mode   67=        0.0000000611
 Unscaled step for mode   68=        0.0000000785
 Unscaled step for mode   69=       -0.0000000502
 Unscaled step for mode   70=       -0.0000002362
 Unscaled step for mode   71=       -0.0000000530
 Unscaled step for mode   72=       -0.0000005622
 Unscaled step for mode   73=       -0.0000002711
 Unscaled step for mode   74=        0.0000002867
 Unscaled step for mode   75=       -0.0000007734
 Unscaled step for mode   76=        0.0000000192
 Unscaled step for mode   77=        0.0000006202
 Unscaled step for mode   78=        0.0000000375
 Unscaled step for mode   79=        0.0000001065
 Unscaled step for mode   80=       -0.0000002578
 Unscaled step for mode   81=        0.0000002743
 Unscaled step for mode   82=        0.0000000379
 Unscaled step for mode   83=        0.0000002044
 Unscaled step for mode   84=        0.0000005646
 Unscaled step for mode   85=       -0.0000006034
 Unscaled step for mode   86=       -0.0000000691
 Unscaled step for mode   87=        0.0000006531
 Unscaled step for mode   88=       -0.0000000854
 Unscaled step for mode   89=        0.0000008187
 Unscaled step for mode   90=        0.0000006990
 Unscaled step for mode   91=        0.0000001184
 Unscaled step for mode   92=       -0.0000011026
 Unscaled step for mode   93=       -0.0000005091
 Unscaled step for mode   94=       -0.0000009227
 Unscaled step for mode   95=        0.0000004494
 Unscaled step for mode   96=        0.0000001374
 Unscaled step for mode   97=       -0.0000009927
 Unscaled step for mode   98=       -0.0000010982
 Unscaled step for mode   99=        0.0000032993
 Unscaled step for mode  100=       -0.0000027172
 Unscaled step for mode  101=       -0.0000006272
 Unscaled step for mode  102=       -0.0000034779
 Unscaled step for mode  103=        0.0000007375
 Unscaled step for mode  104=        0.0000032262
 Unscaled step for mode  105=        0.0000025616
 Unscaled step for mode  106=       -0.0000007919
 Unscaled step for mode  107=       -0.0000053687
 Unscaled step for mode  108=       -0.0000000317
 Unscaled step for mode  109=       -0.0000051855
 Unscaled step for mode  110=       -0.0005527801
 Unscaled step for mode  111=        0.0003384275
 Unscaled step for mode  112=       -0.0008129167
 Unscaled step for mode  113=       -0.0030883268
 Unscaled step for mode  114=       -0.1548867384
 Largest modulus ratio of non-zero e/values=           174.9196391    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.131405E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.679795E-15    0.100709E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.772087E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.948248E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.238524E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.602274E-16    0.973910E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.446203E-05    0.733908E+03  0.607983E-08 0.100000E-04    0.993197E+00
   8   -0.489357E-05    0.673651E+03  0.726425E-08 0.100000E-04    0.999953E+00
   9   -0.224434E-06    0.627058E+03  0.357916E-09 0.100000E-04    0.911382E+00
  10    0.206572E-05    0.604091E+03 -0.341955E-08 0.100000E-04    0.989598E+00
  11   -0.150457E-05    0.588190E+03  0.255797E-08 0.100000E-04    0.979477E+00
  12   -0.235600E-05    0.571802E+03  0.412031E-08 0.100000E-04    0.990920E+00
  13   -0.356493E-05    0.566957E+03  0.628782E-08 0.100000E-04    0.996435E+00
  14   -0.133027E-05    0.483131E+03  0.275343E-08 0.100000E-04    0.989737E+00
  15    0.186088E-05    0.464857E+03 -0.400312E-08 0.100000E-04    0.989283E+00
  16    0.615893E-05    0.461247E+03 -0.133528E-07 0.100000E-04    0.994493E+00
  17    0.451001E-05    0.441404E+03 -0.102174E-07 0.100000E-04    0.989012E+00
  18    0.505589E-05    0.429614E+03 -0.117685E-07 0.100000E-04    0.991285E+00
  19   -0.165062E-04    0.421866E+03  0.391267E-07 0.100000E-04    0.996169E+00
  20    0.745317E-05    0.408027E+03 -0.182663E-07 0.100000E-04    0.996884E+00
  21    0.707985E-05    0.397351E+03 -0.178176E-07 0.100000E-04    0.996743E+00
  22   -0.750610E-05    0.388820E+03  0.193048E-07 0.100000E-04    0.998712E+00
  23    0.497290E-06    0.367962E+03 -0.135147E-08 0.100000E-04    0.916257E+00
  24   -0.194761E-05    0.361677E+03  0.538494E-08 0.100000E-04    0.999298E+00
  25   -0.202427E-04    0.350781E+03  0.577075E-07 0.100000E-04    0.996191E+00
  26   -0.330115E-04    0.336035E+03  0.982382E-07 0.100000E-04    0.997844E+00
  27   -0.166295E-04    0.326031E+03  0.510060E-07 0.100000E-04    0.997344E+00
  28    0.140904E-04    0.321439E+03 -0.438354E-07 0.100000E-04    0.994691E+00
  29    0.108298E-04    0.320278E+03 -0.338139E-07 0.100000E-04    0.983167E+00
  30   -0.248586E-04    0.312472E+03  0.795547E-07 0.100000E-04    0.998305E+00
  31   -0.150447E-04    0.303856E+03  0.495124E-07 0.100000E-04    0.996144E+00
  32   -0.643479E-05    0.288656E+03  0.222922E-07 0.100000E-04    0.998873E+00
  33    0.120325E-04    0.278744E+03 -0.431668E-07 0.100000E-04    0.996265E+00
  34    0.108060E-04    0.270789E+03 -0.399057E-07 0.100000E-04    0.993715E+00
  35    0.239222E-04    0.266951E+03 -0.896127E-07 0.100000E-04    0.998545E+00
  36    0.177794E-04    0.264282E+03 -0.672745E-07 0.100000E-04    0.999634E+00
  37   -0.183247E-04    0.259702E+03  0.705606E-07 0.100000E-04    0.996192E+00
  38   -0.658729E-06    0.253923E+03  0.259421E-08 0.100000E-04    0.949960E+00
  39   -0.194561E-04    0.242231E+03  0.803204E-07 0.100000E-04    0.997255E+00
  40   -0.117369E-04    0.238348E+03  0.492427E-07 0.100000E-04    0.988475E+00
  41   -0.389407E-04    0.234976E+03  0.165722E-06 0.100000E-04    0.998745E+00
  42   -0.121385E-04    0.228479E+03  0.531276E-07 0.100000E-04    0.998918E+00
  43   -0.144684E-04    0.220017E+03  0.657600E-07 0.100000E-04    0.996731E+00
  44   -0.254811E-04    0.213824E+03  0.119168E-06 0.100000E-04    0.998748E+00
  45    0.816197E-06    0.212347E+03 -0.384370E-08 0.100000E-04    0.957762E+00
  46    0.246929E-04    0.207321E+03 -0.119105E-06 0.100000E-04    0.996801E+00
  47   -0.298229E-04    0.203561E+03  0.146506E-06 0.100000E-04    0.998063E+00
  48    0.500755E-05    0.197459E+03 -0.253600E-07 0.100000E-04    0.987130E+00
  49   -0.249303E-04    0.195249E+03  0.127685E-06 0.100000E-04    0.998660E+00
  50    0.949883E-05    0.191516E+03 -0.495982E-07 0.100000E-04    0.987571E+00
  51   -0.161747E-04    0.184205E+03  0.878080E-07 0.100000E-04    0.997177E+00
  52   -0.348389E-05    0.175006E+03  0.199073E-07 0.100000E-04    0.990848E+00
  53   -0.130388E-04    0.171889E+03  0.758562E-07 0.100000E-04    0.994004E+00
  54    0.176790E-04    0.167556E+03 -0.105511E-06 0.100000E-04    0.995147E+00
  55   -0.203104E-04    0.164981E+03  0.123107E-06 0.100000E-04    0.999883E+00
  56   -0.584841E-05    0.158929E+03  0.367990E-07 0.100000E-04    0.988688E+00
  57   -0.104591E-04    0.153999E+03  0.679168E-07 0.100000E-04    0.988287E+00
  58   -0.241246E-04    0.151373E+03  0.159372E-06 0.100000E-04    0.998338E+00
  59    0.140574E-05    0.148598E+03 -0.945999E-08 0.100000E-04    0.977843E+00
  60    0.224641E-04    0.143286E+03 -0.156778E-06 0.100000E-04    0.996268E+00
  61   -0.279784E-04    0.137129E+03  0.204030E-06 0.100000E-04    0.991746E+00
  62    0.295827E-04    0.135836E+03 -0.217783E-06 0.100000E-04    0.998741E+00
  63   -0.229830E-04    0.130657E+03  0.175903E-06 0.100000E-04    0.996163E+00
  64   -0.266909E-04    0.128085E+03  0.208385E-06 0.100000E-04    0.993922E+00
  65    0.190759E-04    0.126128E+03 -0.151242E-06 0.100000E-04    0.985322E+00
  66    0.204591E-04    0.125553E+03 -0.162952E-06 0.100000E-04    0.993898E+00
  67   -0.731856E-05    0.119753E+03  0.611139E-07 0.100000E-04    0.993719E+00
  68   -0.926396E-05    0.118076E+03  0.784579E-07 0.100000E-04    0.994895E+00
  69    0.587931E-05    0.117031E+03 -0.502372E-07 0.100000E-04    0.989168E+00
  70    0.262203E-04    0.110987E+03 -0.236246E-06 0.100000E-04    0.999622E+00
  71    0.571843E-05    0.107830E+03 -0.530318E-07 0.100000E-04    0.997544E+00
  72    0.588849E-04    0.104740E+03 -0.562202E-06 0.100000E-04    0.996133E+00
  73    0.279431E-04    0.103090E+03 -0.271057E-06 0.100000E-04    0.996303E+00
  74   -0.286016E-04    0.997696E+02  0.286677E-06 0.100000E-04    0.999354E+00
  75    0.741458E-04    0.958704E+02 -0.773396E-06 0.100000E-04    0.995985E+00
  76   -0.181628E-05    0.947727E+02  0.191645E-07 0.100000E-04    0.764081E+00
  77   -0.576830E-04    0.930129E+02  0.620161E-06 0.100000E-04    0.998526E+00
  78   -0.339296E-05    0.905212E+02  0.374825E-07 0.100000E-04    0.937850E+00
  79   -0.955402E-05    0.896858E+02  0.106528E-06 0.100000E-04    0.994851E+00
  80    0.219141E-04    0.850080E+02 -0.257789E-06 0.100000E-04    0.997317E+00
  81   -0.221968E-04    0.809126E+02  0.274330E-06 0.100000E-04    0.998981E+00
  82   -0.302381E-05    0.798261E+02  0.378799E-07 0.100000E-04    0.974356E+00
  83   -0.160026E-04    0.782847E+02  0.204415E-06 0.100000E-04    0.996651E+00
  84   -0.411027E-04    0.727980E+02  0.564613E-06 0.100000E-04    0.993678E+00
  85    0.435917E-04    0.722452E+02 -0.603385E-06 0.100000E-04    0.996459E+00
  86    0.472090E-05    0.682796E+02 -0.691407E-07 0.100000E-04    0.942543E+00
  87   -0.434228E-04    0.664829E+02  0.653143E-06 0.100000E-04    0.995625E+00
  88    0.539865E-05    0.631796E+02 -0.854491E-07 0.100000E-04    0.989709E+00
  89   -0.492028E-04    0.600996E+02  0.818688E-06 0.100000E-04    0.995712E+00
  90   -0.417493E-04    0.597246E+02  0.699030E-06 0.100000E-04    0.980657E+00
  91   -0.699459E-05    0.590712E+02  0.118409E-06 0.100000E-04    0.956739E+00
  92    0.617905E-04    0.560407E+02 -0.110260E-05 0.100000E-04    0.999142E+00
  93    0.268605E-04    0.527624E+02 -0.509084E-06 0.100000E-04    0.995120E+00
  94    0.482493E-04    0.522927E+02 -0.922677E-06 0.100000E-04    0.996965E+00
  95   -0.225017E-04    0.500681E+02  0.449423E-06 0.100000E-04    0.996332E+00
  96   -0.652677E-05    0.475142E+02  0.137365E-06 0.100000E-04    0.969177E+00
  97    0.425642E-04    0.428781E+02 -0.992681E-06 0.100000E-04    0.990745E+00
  98    0.443710E-04    0.404051E+02 -0.109815E-05 0.100000E-04    0.993266E+00
  99   -0.123551E-03    0.374474E+02  0.329931E-05 0.100000E-04    0.995761E+00
 100    0.983239E-04    0.361861E+02 -0.271717E-05 0.100000E-04    0.999652E+00
 101    0.216640E-04    0.345408E+02 -0.627200E-06 0.100000E-04    0.975386E+00
 102    0.100203E-03    0.288118E+02 -0.347785E-05 0.100000E-04    0.997174E+00
 103   -0.211250E-04    0.286453E+02  0.737468E-06 0.100000E-04    0.988449E+00
 104   -0.885280E-04    0.274406E+02  0.322617E-05 0.100000E-04    0.997776E+00
 105   -0.589086E-04    0.229968E+02  0.256160E-05 0.100000E-04    0.991052E+00
 106    0.168994E-04    0.213415E+02 -0.791857E-06 0.100000E-04    0.935481E+00
 107    0.109695E-03    0.204323E+02 -0.536869E-05 0.100000E-04    0.996714E+00
 108    0.532718E-06    0.168112E+02 -0.316883E-07 0.100000E-04    0.754605E+00
 109    0.715230E-04    0.137928E+02 -0.518554E-05 0.100000E-04    0.988931E+00
 110    0.676953E-02    0.122463E+02 -0.100000E-04 0.100000E-04    0.437688E+00
 111   -0.335107E-02    0.990189E+01  0.100000E-04 0.100000E-04    0.699875E+00
 112    0.722329E-02    0.888564E+01 -0.109000E-04 0.109000E-04    0.127816E+00
 113    0.219109E-01    0.709467E+01 -0.164723E-04 0.164723E-04    0.848572E-01
 114   -0.665829E+00    0.419568E+01 -0.400000E-03 0.400000E-03    0.593611E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1548867384    

 Beginning of optimization cycle  338.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3543429226
 potential> RMS force:                                               0.0625584027   |gradient|=.6679409607    
 Eigenvalues of the Hessian matrix:
   733.97036    673.66006    627.07015    604.08224    588.17976    571.84519 
   566.96243    483.15706    464.83364    461.24041    441.40564    429.60626 
   421.86996    408.03482    397.34611    388.81863    367.96943    361.66807 
   350.77397    336.01706    326.04441    321.43839    320.28072    312.44908 
   303.84378    288.66535    278.73857    270.79234    266.95957    264.28895 
   259.71696    253.92391    242.22630    238.36024    234.96302    228.47475 
   219.99663    213.83148    212.35303    207.31576    203.56232    197.45202 
   195.24556    191.51419    184.19507    174.99510    171.89422    167.55656 
   164.97377    158.91810    154.00391    151.37850    148.58973    143.28841 
   137.13155    135.83837    130.65543    128.08927    126.13068    125.54990 
   119.75463    118.07639    117.03238    110.98170    107.82216    104.73691 
   103.09005     99.76831     95.86591     94.76352     93.02519     90.52507 
    89.68104     85.01088     80.91235     79.82837     78.28355     72.79983 
    72.24994     68.27913     66.47039     63.17574     60.09218     59.72419 
    59.07147     56.04115     52.75914     52.29353     50.06693     47.50955 
    42.87736     40.40766     37.45167     36.18913     34.52884     28.81140 
    28.64403     27.43250     22.99864     21.33514     20.43689     16.81068 
    13.79318     12.24608      9.90332      8.87908      7.08795      4.19072 
overlap for current and previous eigenvector    109 is         0.9999996702
overlap for current and previous eigenvector    110 is         0.9999995261
overlap for current and previous eigenvector    111 is        -0.9999985077
overlap for current and previous eigenvector    112 is         0.9999928235
overlap for current and previous eigenvector    113 is         0.9999941261
overlap for current and previous eigenvector    114 is        -0.9999997247
J1,K1,R1,R2,RAT=   7   7   -0.6991279822E-02     2.006820311        0.9930087202    
FOB,PFOB,DIAG,PSTEP=   -0.4493230478E-05   -0.4462032493E-05     733.9703647        0.6079828524E-08
J1,K1,R1,R2,RAT=   8   8   -0.7174810045E-02     2.007149256        0.9928251900    
FOB,PFOB,DIAG,PSTEP=   -0.4928683291E-05   -0.4893572390E-05     673.6600590        0.7264249753E-08
J1,K1,R1,R2,RAT=   9   9   -0.1870972037         2.187058436        0.8129027963    
FOB,PFOB,DIAG,PSTEP=   -0.2664262406E-06   -0.2244343814E-06     627.0701510        0.3579164653E-09
J1,K1,R1,R2,RAT=  10  10    0.2017436475E-02     1.998011024        0.9979825635    
FOB,PFOB,DIAG,PSTEP=    0.2061548988E-05    0.2065716380E-05     604.0822408       -0.3419545957E-08
J1,K1,R1,R2,RAT=  11  11    0.1078850883E-01     1.989245007        0.9892114912    
FOB,PFOB,DIAG,PSTEP=   -0.1488341943E-05   -0.1504573778E-05     588.1797587        0.2557974060E-08
J1,K1,R1,R2,RAT= 109 109   -0.7641828286E-02     2.007581088        0.9923581717    
FOB,PFOB,DIAG,PSTEP=    0.7206953342E-04    0.7152295071E-04     13.79318260       -0.5185541656E-05
J1,K1,R1,R2,RAT= 110 110   -0.5554947262         111.1137865        0.4445052738    
FOB,PFOB,DIAG,PSTEP=    0.6837554582E-02    0.6769528255E-02     12.24607968       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     67.38151380        0.2941643968        0.7058356032    
FOB,PFOB,DIAG,PSTEP=    0.3321938390E-02   -0.3351070440E-02     9.903322815        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7833941156         150.0525884        0.2166058844    
FOB,PFOB,DIAG,PSTEP=    0.7299105936E-02    0.7223287467E-02     8.879084887       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8326605966         376.1626846        0.1673394034    
FOB,PFOB,DIAG,PSTEP=    0.2200808829E-01    0.2191087081E-01     7.087952201       -0.1647234946E-04
J1,K1,R1,R2,RAT= 114 114    -795.4030441        0.9938306245        0.6169375503E-02
FOB,PFOB,DIAG,PSTEP=    0.6674950102       -0.6658290645         4.190718418       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00002     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002      0.00000     -0.00001      0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00000      0.00002 
    -0.00003     -0.00003      0.00002      0.00003      0.00002     -0.00002 
     0.00001      0.00001     -0.00001      0.00003      0.00001     -0.00006 
    -0.00003     -0.00003      0.00007     -0.00000      0.00006      0.00000 
    -0.00001      0.00002     -0.00002      0.00000      0.00002     -0.00004 
    -0.00004     -0.00000     -0.00004     -0.00001     -0.00005      0.00004 
     0.00001     -0.00006      0.00003      0.00005      0.00002      0.00001 
     0.00004     -0.00004     -0.00012      0.00010      0.00002     -0.00010 
     0.00002     -0.00009      0.00006      0.00002     -0.00011     -0.00000 
     0.00007      0.00684      0.00332      0.00730      0.02201      0.66750 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4245647622
 Log product of positive Hessian eigenvalues =          519.7854252491
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1907184179
 Unscaled step for mode    7=        0.0000000061
 Unscaled step for mode    8=        0.0000000073
 Unscaled step for mode    9=        0.0000000004
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000043
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000026
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000134
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000392
 Unscaled step for mode   20=       -0.0000000181
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=        0.0000000195
 Unscaled step for mode   23=       -0.0000000015
 Unscaled step for mode   24=        0.0000000056
 Unscaled step for mode   25=        0.0000000578
 Unscaled step for mode   26=        0.0000000984
 Unscaled step for mode   27=        0.0000000510
 Unscaled step for mode   28=       -0.0000000440
 Unscaled step for mode   29=       -0.0000000344
 Unscaled step for mode   30=        0.0000000797
 Unscaled step for mode   31=        0.0000000499
 Unscaled step for mode   32=        0.0000000225
 Unscaled step for mode   33=       -0.0000000433
 Unscaled step for mode   34=       -0.0000000402
 Unscaled step for mode   35=       -0.0000000898
 Unscaled step for mode   36=       -0.0000000677
 Unscaled step for mode   37=        0.0000000707
 Unscaled step for mode   38=        0.0000000024
 Unscaled step for mode   39=        0.0000000804
 Unscaled step for mode   40=        0.0000000502
 Unscaled step for mode   41=        0.0000001665
 Unscaled step for mode   42=        0.0000000537
 Unscaled step for mode   43=        0.0000000662
 Unscaled step for mode   44=        0.0000001201
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001198
 Unscaled step for mode   47=        0.0000001468
 Unscaled step for mode   48=       -0.0000000254
 Unscaled step for mode   49=        0.0000001282
 Unscaled step for mode   50=       -0.0000000491
 Unscaled step for mode   51=        0.0000000880
 Unscaled step for mode   52=       -0.0000000201
 Unscaled step for mode   53=        0.0000000759
 Unscaled step for mode   54=       -0.0000001059
 Unscaled step for mode   55=        0.0000001233
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=       -0.0000000679
 Unscaled step for mode   58=        0.0000001597
 Unscaled step for mode   59=       -0.0000000100
 Unscaled step for mode   60=       -0.0000001569
 Unscaled step for mode   61=        0.0000002044
 Unscaled step for mode   62=        0.0000002174
 Unscaled step for mode   63=       -0.0000001753
 Unscaled step for mode   64=       -0.0000002095
 Unscaled step for mode   65=       -0.0000001519
 Unscaled step for mode   66=        0.0000001620
 Unscaled step for mode   67=       -0.0000000622
 Unscaled step for mode   68=       -0.0000000782
 Unscaled step for mode   69=        0.0000000502
 Unscaled step for mode   70=       -0.0000002375
 Unscaled step for mode   71=       -0.0000000536
 Unscaled step for mode   72=        0.0000005644
 Unscaled step for mode   73=        0.0000002713
 Unscaled step for mode   74=        0.0000002860
 Unscaled step for mode   75=       -0.0000007757
 Unscaled step for mode   76=        0.0000000131
 Unscaled step for mode   77=       -0.0000006174
 Unscaled step for mode   78=       -0.0000000382
 Unscaled step for mode   79=        0.0000001060
 Unscaled step for mode   80=       -0.0000002576
 Unscaled step for mode   81=        0.0000002754
 Unscaled step for mode   82=       -0.0000000404
 Unscaled step for mode   83=       -0.0000002040
 Unscaled step for mode   84=        0.0000005661
 Unscaled step for mode   85=        0.0000006011
 Unscaled step for mode   86=        0.0000000715
 Unscaled step for mode   87=        0.0000006519
 Unscaled step for mode   88=        0.0000000885
 Unscaled step for mode   89=        0.0000008114
 Unscaled step for mode   90=       -0.0000007061
 Unscaled step for mode   91=       -0.0000001209
 Unscaled step for mode   92=        0.0000011025
 Unscaled step for mode   93=       -0.0000005041
 Unscaled step for mode   94=       -0.0000009255
 Unscaled step for mode   95=       -0.0000004468
 Unscaled step for mode   96=       -0.0000001370
 Unscaled step for mode   97=       -0.0000009882
 Unscaled step for mode   98=        0.0000010996
 Unscaled step for mode   99=        0.0000032942
 Unscaled step for mode  100=       -0.0000027044
 Unscaled step for mode  101=       -0.0000006252
 Unscaled step for mode  102=        0.0000034776
 Unscaled step for mode  103=       -0.0000007547
 Unscaled step for mode  104=        0.0000032525
 Unscaled step for mode  105=       -0.0000025554
 Unscaled step for mode  106=       -0.0000007787
 Unscaled step for mode  107=        0.0000053215
 Unscaled step for mode  108=        0.0000000079
 Unscaled step for mode  109=       -0.0000052250
 Unscaled step for mode  110=       -0.0005583462
 Unscaled step for mode  111=       -0.0003354367
 Unscaled step for mode  112=       -0.0008220555
 Unscaled step for mode  113=       -0.0031049696
 Unscaled step for mode  114=        0.1554313593
 Largest modulus ratio of non-zero e/values=           175.1418949    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.481386E-16    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.144969E-14    0.100709E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.237223E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.153219E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.436304E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.497107E-16    0.973912E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.449323E-05    0.733970E+03  0.612181E-08 0.100000E-04    0.993009E+00
   8   -0.492868E-05    0.673660E+03  0.731628E-08 0.100000E-04    0.992825E+00
   9   -0.266426E-06    0.627070E+03  0.424875E-09 0.100000E-04    0.812903E+00
  10    0.206155E-05    0.604082E+03 -0.341270E-08 0.100000E-04    0.997983E+00
  11   -0.148834E-05    0.588180E+03  0.253042E-08 0.100000E-04    0.989211E+00
  12   -0.244763E-05    0.571845E+03  0.428024E-08 0.100000E-04    0.961110E+00
  13   -0.355724E-05    0.566962E+03  0.627421E-08 0.100000E-04    0.997827E+00
  14   -0.126728E-05    0.483157E+03  0.262292E-08 0.100000E-04    0.952546E+00
  15    0.184510E-05    0.464834E+03 -0.396938E-08 0.100000E-04    0.991521E+00
  16    0.617102E-05    0.461240E+03 -0.133792E-07 0.100000E-04    0.998037E+00
  17    0.448489E-05    0.441406E+03 -0.101605E-07 0.100000E-04    0.994424E+00
  18    0.501931E-05    0.429606E+03 -0.116835E-07 0.100000E-04    0.992765E+00
  19   -0.165286E-04    0.421870E+03  0.391794E-07 0.100000E-04    0.998644E+00
  20    0.739351E-05    0.408035E+03 -0.181198E-07 0.100000E-04    0.991958E+00
  21    0.704292E-05    0.397346E+03 -0.177249E-07 0.100000E-04    0.994784E+00
  22   -0.757563E-05    0.388819E+03  0.194837E-07 0.100000E-04    0.990737E+00
  23    0.555305E-06    0.367969E+03 -0.150911E-08 0.100000E-04    0.883341E+00
  24   -0.201297E-05    0.361668E+03  0.556580E-08 0.100000E-04    0.966438E+00
  25   -0.202640E-04    0.350774E+03  0.577693E-07 0.100000E-04    0.998951E+00
  26   -0.330646E-04    0.336017E+03  0.984017E-07 0.100000E-04    0.998389E+00
  27   -0.166430E-04    0.326044E+03  0.510452E-07 0.100000E-04    0.999191E+00
  28    0.141289E-04    0.321438E+03 -0.439551E-07 0.100000E-04    0.997273E+00
  29    0.110196E-04    0.320281E+03 -0.344060E-07 0.100000E-04    0.982481E+00
  30   -0.249065E-04    0.312449E+03  0.797137E-07 0.100000E-04    0.998076E+00
  31   -0.151486E-04    0.303844E+03  0.498566E-07 0.100000E-04    0.993090E+00
  32   -0.650713E-05    0.288665E+03  0.225421E-07 0.100000E-04    0.988758E+00
  33    0.120695E-04    0.278739E+03 -0.433005E-07 0.100000E-04    0.996921E+00
  34    0.108782E-04    0.270792E+03 -0.401717E-07 0.100000E-04    0.993321E+00
  35    0.239671E-04    0.266960E+03 -0.897781E-07 0.100000E-04    0.998120E+00
  36    0.179031E-04    0.264289E+03 -0.677405E-07 0.100000E-04    0.993047E+00
  37   -0.183639E-04    0.259717E+03  0.707075E-07 0.100000E-04    0.997860E+00
  38   -0.597932E-06    0.253924E+03  0.235477E-08 0.100000E-04    0.907696E+00
  39   -0.194792E-04    0.242226E+03  0.804175E-07 0.100000E-04    0.998810E+00
  40   -0.119666E-04    0.238360E+03  0.502039E-07 0.100000E-04    0.980430E+00
  41   -0.391109E-04    0.234963E+03  0.166456E-06 0.100000E-04    0.995628E+00
  42   -0.122702E-04    0.228475E+03  0.537048E-07 0.100000E-04    0.989155E+00
  43   -0.145710E-04    0.219997E+03  0.662327E-07 0.100000E-04    0.992907E+00
  44   -0.256900E-04    0.213831E+03  0.120142E-06 0.100000E-04    0.991799E+00
  45    0.802211E-06    0.212353E+03 -0.377772E-08 0.100000E-04    0.982807E+00
  46    0.248270E-04    0.207316E+03 -0.119755E-06 0.100000E-04    0.994568E+00
  47   -0.298738E-04    0.203562E+03  0.146755E-06 0.100000E-04    0.998293E+00
  48    0.501307E-05    0.197452E+03 -0.253888E-07 0.100000E-04    0.998897E+00
  49   -0.250355E-04    0.195246E+03  0.128226E-06 0.100000E-04    0.995781E+00
  50    0.941211E-05    0.191514E+03 -0.491458E-07 0.100000E-04    0.990871E+00
  51   -0.162096E-04    0.184195E+03  0.880021E-07 0.100000E-04    0.997844E+00
  52    0.351811E-05    0.174995E+03 -0.201041E-07 0.100000E-04    0.990177E+00
  53   -0.130399E-04    0.171894E+03  0.758602E-07 0.100000E-04    0.999915E+00
  54    0.177480E-04    0.167557E+03 -0.105922E-06 0.100000E-04    0.996098E+00
  55   -0.203491E-04    0.164974E+03  0.123348E-06 0.100000E-04    0.998093E+00
  56   -0.591029E-05    0.158918E+03  0.371908E-07 0.100000E-04    0.989419E+00
  57    0.104637E-04    0.154004E+03 -0.679446E-07 0.100000E-04    0.999558E+00
  58   -0.241770E-04    0.151378E+03  0.159712E-06 0.100000E-04    0.997829E+00
  59    0.148984E-05    0.148590E+03 -0.100265E-07 0.100000E-04    0.940169E+00
  60    0.224781E-04    0.143288E+03 -0.156873E-06 0.100000E-04    0.999377E+00
  61   -0.280258E-04    0.137132E+03  0.204371E-06 0.100000E-04    0.998307E+00
  62   -0.295258E-04    0.135838E+03  0.217360E-06 0.100000E-04    0.998039E+00
  63    0.229083E-04    0.130655E+03 -0.175334E-06 0.100000E-04    0.996750E+00
  64    0.268290E-04    0.128089E+03 -0.209455E-06 0.100000E-04    0.994827E+00
  65    0.191556E-04    0.126131E+03 -0.151871E-06 0.100000E-04    0.995821E+00
  66   -0.203329E-04    0.125550E+03  0.161950E-06 0.100000E-04    0.993830E+00
  67    0.745454E-05    0.119755E+03 -0.622485E-07 0.100000E-04    0.981420E+00
  68    0.923940E-05    0.118076E+03 -0.782493E-07 0.100000E-04    0.997334E+00
  69   -0.588018E-05    0.117032E+03  0.502441E-07 0.100000E-04    0.999851E+00
  70    0.263593E-04    0.110982E+03 -0.237510E-06 0.100000E-04    0.994700E+00
  71    0.577520E-05    0.107822E+03 -0.535623E-07 0.100000E-04    0.990072E+00
  72   -0.591178E-04    0.104737E+03  0.564441E-06 0.100000E-04    0.996045E+00
  73   -0.279710E-04    0.103090E+03  0.271326E-06 0.100000E-04    0.999004E+00
  74   -0.285289E-04    0.997683E+02  0.285952E-06 0.100000E-04    0.997458E+00
  75    0.743655E-04    0.958659E+02 -0.775724E-06 0.100000E-04    0.997037E+00
  76   -0.123744E-05    0.947635E+02  0.130582E-07 0.100000E-04    0.681275E+00
  77    0.574312E-04    0.930252E+02 -0.617373E-06 0.100000E-04    0.995371E+00
  78    0.345934E-05    0.905251E+02 -0.382142E-07 0.100000E-04    0.980437E+00
  79   -0.950835E-05    0.896810E+02  0.106024E-06 0.100000E-04    0.995220E+00
  80    0.218980E-04    0.850109E+02 -0.257590E-06 0.100000E-04    0.999194E+00
  81   -0.222811E-04    0.809124E+02  0.275373E-06 0.100000E-04    0.996200E+00
  82    0.322208E-05    0.798284E+02 -0.403626E-07 0.100000E-04    0.934430E+00
  83    0.159667E-04    0.782835E+02 -0.203960E-06 0.100000E-04    0.997758E+00
  84   -0.412134E-04    0.727998E+02  0.566119E-06 0.100000E-04    0.997308E+00
  85   -0.434276E-04    0.722499E+02  0.601075E-06 0.100000E-04    0.996107E+00
  86   -0.488442E-05    0.682791E+02  0.715360E-07 0.100000E-04    0.965363E+00
  87   -0.433347E-04    0.664704E+02  0.651940E-06 0.100000E-04    0.997971E+00
  88   -0.558827E-05    0.631757E+02  0.884559E-07 0.100000E-04    0.964874E+00
  89   -0.487604E-04    0.600922E+02  0.811427E-06 0.100000E-04    0.991008E+00
  90    0.421740E-04    0.597242E+02 -0.706146E-06 0.100000E-04    0.989828E+00
  91    0.714219E-05    0.590715E+02 -0.120908E-06 0.100000E-04    0.978899E+00
  92   -0.617876E-04    0.560411E+02  0.110254E-05 0.100000E-04    0.999937E+00
  93    0.265946E-04    0.527591E+02 -0.504075E-06 0.100000E-04    0.990100E+00
  94    0.483954E-04    0.522935E+02 -0.925458E-06 0.100000E-04    0.996971E+00
  95    0.223716E-04    0.500669E+02 -0.446834E-06 0.100000E-04    0.994217E+00
  96    0.651058E-05    0.475095E+02 -0.137037E-06 0.100000E-04    0.997520E+00
  97    0.423695E-04    0.428774E+02 -0.988157E-06 0.100000E-04    0.995426E+00
  98   -0.444316E-04    0.404077E+02  0.109958E-05 0.100000E-04    0.998633E+00
  99   -0.123375E-03    0.374517E+02  0.329423E-05 0.100000E-04    0.998346E+00
 100    0.978703E-04    0.361891E+02 -0.270441E-05 0.100000E-04    0.995218E+00
 101    0.215860E-04    0.345288E+02 -0.625160E-06 0.100000E-04    0.996400E+00
 102   -0.100194E-03    0.288114E+02  0.347757E-05 0.100000E-04    0.999903E+00
 103    0.216165E-04    0.286440E+02 -0.754658E-06 0.100000E-04    0.976733E+00
 104   -0.892250E-04    0.274325E+02  0.325253E-05 0.100000E-04    0.992124E+00
 105    0.587701E-04    0.229986E+02 -0.255537E-05 0.100000E-04    0.997492E+00
 106    0.166129E-04    0.213351E+02 -0.778663E-06 0.100000E-04    0.983038E+00
 107   -0.108755E-03    0.204369E+02  0.532153E-05 0.100000E-04    0.990992E+00
 108   -0.133151E-06    0.168107E+02  0.792062E-08 0.100000E-04    0.249924E+00
 109    0.720695E-04    0.137932E+02 -0.522501E-05 0.100000E-04    0.992358E+00
 110    0.683755E-02    0.122461E+02 -0.100000E-04 0.100000E-04    0.444505E+00
 111    0.332194E-02    0.990332E+01 -0.100000E-04 0.100000E-04    0.705836E+00
 112    0.729911E-02    0.887908E+01 -0.100000E-04 0.100000E-04    0.216606E+00
 113    0.220081E-01    0.708795E+01 -0.179549E-04 0.179549E-04    0.167339E+00
 114    0.667495E+00    0.419072E+01  0.400000E-03 0.400000E-03    0.616938E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1554313593    

 Beginning of optimization cycle  339.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3540761581
 potential> RMS force:                                               0.0627145450   |gradient|=.6696081050    
 Eigenvalues of the Hessian matrix:
   734.03317    673.66850    627.08228    604.07375    588.16979    571.88833 
   566.96736    483.18268    464.81036    461.23381    441.40729    429.59892 
   421.87391    408.04233    397.34106    388.81728    367.97709    361.65944 
   350.76679    335.99959    326.05770    321.43739    320.28345    312.42578 
   303.83129    288.67460    278.73358    270.79629    266.96840    264.29586 
   259.73215    253.92513    242.22208    238.37271    234.95047    228.47052 
   219.97581    213.83926    212.35929    207.31094    203.56335    197.44502 
   195.24220    191.51269    184.18509    174.98436    171.89977    167.55741 
   164.96638    158.90745    154.00905    151.38409    148.58131    143.29066 
   137.13434    135.84097    130.65379    128.09386    126.13347    125.54713 
   119.75642    118.07724    117.03380    110.97592    107.81408    104.73395 
   103.09038     99.76705     95.86151     94.75419     93.03752     90.52902 
    89.67623     85.01380     80.91212     79.83068     78.28233     72.80167 
    72.25462     68.27852     66.45789     63.17175     60.08486     59.72365 
    59.07163     56.04155     52.75589     52.29428     50.06580     47.50485 
    42.87670     40.41020     37.45592     36.19206     34.51680     28.81098 
    28.64278     27.42440     23.00049     21.32873     20.44141     16.81016 
    13.79360     12.24584      9.90477      8.87257      7.08117      4.18574 
overlap for current and previous eigenvector    109 is        -0.9999996699
overlap for current and previous eigenvector    110 is         0.9999995264
overlap for current and previous eigenvector    111 is        -0.9999985434
overlap for current and previous eigenvector    112 is         0.9999928598
overlap for current and previous eigenvector    113 is         0.9999941245
overlap for current and previous eigenvector    114 is        -0.9999997242
J1,K1,R1,R2,RAT=   7   7   -0.6034150224E-02     2.005863015        0.9939658498    
FOB,PFOB,DIAG,PSTEP=   -0.4520345626E-05   -0.4493230478E-05     734.0331741        0.6121814577E-08
J1,K1,R1,R2,RAT=   8   8   -0.8407352599E-02     2.008382290        0.9915926474    
FOB,PFOB,DIAG,PSTEP=   -0.4970120988E-05   -0.4928683291E-05     673.6685010        0.7316276547E-08
J1,K1,R1,R2,RAT=   9   9   -0.2908325275E-01     2.029044581        0.9709167473    
FOB,PFOB,DIAG,PSTEP=   -0.2741749321E-06   -0.2664262406E-06     627.0822764        0.4248746973E-09
J1,K1,R1,R2,RAT=  10  10    0.8080083621E-02     1.991948028        0.9919199164    
FOB,PFOB,DIAG,PSTEP=    0.2044891734E-05    0.2061548988E-05     604.0737499       -0.3412695902E-08
J1,K1,R1,R2,RAT=  11  11   -0.5410478472E-02     2.005444391        0.9945895215    
FOB,PFOB,DIAG,PSTEP=   -0.1496394448E-05   -0.1488341943E-05     588.1697854        0.2530420200E-08
J1,K1,R1,R2,RAT= 109 109     1.995940863        0.3998465159E-02    0.9959408628    
FOB,PFOB,DIAG,PSTEP=   -0.7178135716E-04    0.7206953342E-04     13.79360104       -0.5225011189E-05
J1,K1,R1,R2,RAT= 110 110   -0.5482508731         112.2197365        0.4517491269    
FOB,PFOB,DIAG,PSTEP=    0.6904692496E-02    0.6837554582E-02     12.24583794       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     66.77910681        0.2984319848        0.7015680152    
FOB,PFOB,DIAG,PSTEP=   -0.3292379384E-02    0.3321938390E-02     9.904771253       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9582519615         165.4902824        0.4174803848E-01
FOB,PFOB,DIAG,PSTEP=    0.7384127467E-02    0.7299105936E-02     8.872565318       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7096449806         346.9081226        0.2903550194    
FOB,PFOB,DIAG,PSTEP=    0.2209831358E-01    0.2200808829E-01     7.081171559       -0.1795486091E-04
J1,K1,R1,R2,RAT= 114 114    -798.3377883        0.9937344464        0.6265553607E-02
FOB,PFOB,DIAG,PSTEP=   -0.6691588159        0.6674950102         4.185740189        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00002     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001      0.00002 
    -0.00002      0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00006 
    -0.00003      0.00003      0.00007     -0.00000     -0.00006      0.00000 
     0.00001      0.00002     -0.00002      0.00000      0.00002      0.00004 
     0.00004      0.00001     -0.00004      0.00001     -0.00005     -0.00004 
    -0.00001      0.00006      0.00003      0.00005     -0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00002      0.00011      0.00000 
    -0.00007      0.00690     -0.00329      0.00738      0.02210     -0.66916 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4244100895
 Log product of positive Hessian eigenvalues =          519.7815655074
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1857401892
 Unscaled step for mode    7=        0.0000000062
 Unscaled step for mode    8=        0.0000000074
 Unscaled step for mode    9=        0.0000000004
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000025
 Unscaled step for mode   12=        0.0000000044
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000025
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000134
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000392
 Unscaled step for mode   20=       -0.0000000180
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=        0.0000000195
 Unscaled step for mode   23=       -0.0000000016
 Unscaled step for mode   24=        0.0000000056
 Unscaled step for mode   25=        0.0000000579
 Unscaled step for mode   26=        0.0000000985
 Unscaled step for mode   27=        0.0000000512
 Unscaled step for mode   28=       -0.0000000441
 Unscaled step for mode   29=       -0.0000000349
 Unscaled step for mode   30=        0.0000000799
 Unscaled step for mode   31=        0.0000000502
 Unscaled step for mode   32=        0.0000000226
 Unscaled step for mode   33=       -0.0000000433
 Unscaled step for mode   34=       -0.0000000403
 Unscaled step for mode   35=       -0.0000000899
 Unscaled step for mode   36=       -0.0000000680
 Unscaled step for mode   37=        0.0000000709
 Unscaled step for mode   38=        0.0000000022
 Unscaled step for mode   39=        0.0000000805
 Unscaled step for mode   40=        0.0000000509
 Unscaled step for mode   41=        0.0000001670
 Unscaled step for mode   42=        0.0000000541
 Unscaled step for mode   43=        0.0000000667
 Unscaled step for mode   44=        0.0000001209
 Unscaled step for mode   45=       -0.0000000035
 Unscaled step for mode   46=       -0.0000001203
 Unscaled step for mode   47=        0.0000001469
 Unscaled step for mode   48=       -0.0000000255
 Unscaled step for mode   49=        0.0000001288
 Unscaled step for mode   50=       -0.0000000486
 Unscaled step for mode   51=        0.0000000884
 Unscaled step for mode   52=        0.0000000204
 Unscaled step for mode   53=        0.0000000761
 Unscaled step for mode   54=       -0.0000001066
 Unscaled step for mode   55=        0.0000001235
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=        0.0000000684
 Unscaled step for mode   58=        0.0000001600
 Unscaled step for mode   59=       -0.0000000101
 Unscaled step for mode   60=       -0.0000001575
 Unscaled step for mode   61=        0.0000002048
 Unscaled step for mode   62=       -0.0000002168
 Unscaled step for mode   63=        0.0000001746
 Unscaled step for mode   64=        0.0000002107
 Unscaled step for mode   65=       -0.0000001529
 Unscaled step for mode   66=       -0.0000001605
 Unscaled step for mode   67=        0.0000000630
 Unscaled step for mode   68=        0.0000000783
 Unscaled step for mode   69=       -0.0000000503
 Unscaled step for mode   70=        0.0000002389
 Unscaled step for mode   71=       -0.0000000537
 Unscaled step for mode   72=       -0.0000005657
 Unscaled step for mode   73=        0.0000002720
 Unscaled step for mode   74=       -0.0000002850
 Unscaled step for mode   75=       -0.0000007786
 Unscaled step for mode   76=        0.0000000074
 Unscaled step for mode   77=        0.0000006155
 Unscaled step for mode   78=       -0.0000000409
 Unscaled step for mode   79=       -0.0000001048
 Unscaled step for mode   80=       -0.0000002584
 Unscaled step for mode   81=        0.0000002759
 Unscaled step for mode   82=       -0.0000000430
 Unscaled step for mode   83=       -0.0000002054
 Unscaled step for mode   84=       -0.0000005673
 Unscaled step for mode   85=       -0.0000005989
 Unscaled step for mode   86=       -0.0000000747
 Unscaled step for mode   87=        0.0000006527
 Unscaled step for mode   88=       -0.0000000892
 Unscaled step for mode   89=        0.0000008056
 Unscaled step for mode   90=        0.0000007137
 Unscaled step for mode   91=        0.0000001237
 Unscaled step for mode   92=       -0.0000011052
 Unscaled step for mode   93=       -0.0000004981
 Unscaled step for mode   94=       -0.0000009263
 Unscaled step for mode   95=        0.0000004411
 Unscaled step for mode   96=        0.0000001365
 Unscaled step for mode   97=       -0.0000009853
 Unscaled step for mode   98=       -0.0000011029
 Unscaled step for mode   99=        0.0000032907
 Unscaled step for mode  100=       -0.0000027000
 Unscaled step for mode  101=       -0.0000006222
 Unscaled step for mode  102=       -0.0000034753
 Unscaled step for mode  103=        0.0000007675
 Unscaled step for mode  104=        0.0000032512
 Unscaled step for mode  105=        0.0000025649
 Unscaled step for mode  106=       -0.0000007492
 Unscaled step for mode  107=       -0.0000053312
 Unscaled step for mode  108=       -0.0000000068
 Unscaled step for mode  109=        0.0000052040
 Unscaled step for mode  110=       -0.0005638398
 Unscaled step for mode  111=        0.0003324033
 Unscaled step for mode  112=       -0.0008322421
 Unscaled step for mode  113=       -0.0031206839
 Unscaled step for mode  114=       -0.1559769479
 Largest modulus ratio of non-zero e/values=           175.3652021    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.216407E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.250581E-14    0.100709E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.949761E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.250884E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.297766E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.873406E-15    0.973913E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.452035E-05    0.734033E+03  0.615823E-08 0.100000E-04    0.993966E+00
   8   -0.497012E-05    0.673669E+03  0.737770E-08 0.100000E-04    0.991593E+00
   9   -0.274175E-06    0.627082E+03  0.437223E-09 0.100000E-04    0.970917E+00
  10    0.204489E-05    0.604074E+03 -0.338517E-08 0.100000E-04    0.991920E+00
  11   -0.149639E-05    0.588170E+03  0.254415E-08 0.100000E-04    0.994590E+00
  12   -0.250114E-05    0.571888E+03  0.437348E-08 0.100000E-04    0.978140E+00
  13   -0.358445E-05    0.566967E+03  0.632214E-08 0.100000E-04    0.992352E+00
  14   -0.121408E-05    0.483183E+03  0.251267E-08 0.100000E-04    0.957917E+00
  15    0.186841E-05    0.464810E+03 -0.401974E-08 0.100000E-04    0.987363E+00
  16    0.618179E-05    0.461234E+03 -0.134027E-07 0.100000E-04    0.998254E+00
  17    0.447854E-05    0.441407E+03 -0.101460E-07 0.100000E-04    0.998575E+00
  18    0.503307E-05    0.429599E+03 -0.117157E-07 0.100000E-04    0.997259E+00
  19   -0.165569E-04    0.421874E+03  0.392460E-07 0.100000E-04    0.998291E+00
  20    0.736149E-05    0.408042E+03 -0.180410E-07 0.100000E-04    0.995633E+00
  21    0.702557E-05    0.397341E+03 -0.176815E-07 0.100000E-04    0.997536E+00
  22   -0.760135E-05    0.388817E+03  0.195499E-07 0.100000E-04    0.996604E+00
  23    0.580123E-06    0.367977E+03 -0.157652E-08 0.100000E-04    0.955307E+00
  24   -0.203704E-05    0.361659E+03  0.563249E-08 0.100000E-04    0.988042E+00
  25   -0.203206E-04    0.350767E+03  0.579320E-07 0.100000E-04    0.997204E+00
  26   -0.331020E-04    0.336000E+03  0.985180E-07 0.100000E-04    0.998870E+00
  27   -0.166793E-04    0.326058E+03  0.511544E-07 0.100000E-04    0.997820E+00
  28    0.141687E-04    0.321437E+03 -0.440792E-07 0.100000E-04    0.997180E+00
  29    0.111742E-04    0.320283E+03 -0.348886E-07 0.100000E-04    0.985965E+00
  30   -0.249543E-04    0.312426E+03  0.798727E-07 0.100000E-04    0.998079E+00
  31   -0.152625E-04    0.303831E+03  0.502334E-07 0.100000E-04    0.992483E+00
  32   -0.652856E-05    0.288675E+03  0.226156E-07 0.100000E-04    0.996706E+00
  33    0.120700E-04    0.278734E+03 -0.433030E-07 0.100000E-04    0.999959E+00
  34    0.109208E-04    0.270796E+03 -0.403284E-07 0.100000E-04    0.996085E+00
  35    0.240069E-04    0.266968E+03 -0.899242E-07 0.100000E-04    0.998340E+00
  36    0.179801E-04    0.264296E+03 -0.680303E-07 0.100000E-04    0.995695E+00
  37   -0.184172E-04    0.259732E+03  0.709084E-07 0.100000E-04    0.997101E+00
  38   -0.559162E-06    0.253925E+03  0.220207E-08 0.100000E-04    0.935151E+00
  39   -0.195020E-04    0.242222E+03  0.805127E-07 0.100000E-04    0.998834E+00
  40   -0.121322E-04    0.238373E+03  0.508961E-07 0.100000E-04    0.986160E+00
  41   -0.392295E-04    0.234950E+03  0.166969E-06 0.100000E-04    0.996967E+00
  42   -0.123493E-04    0.228471E+03  0.540519E-07 0.100000E-04    0.993555E+00
  43   -0.146827E-04    0.219976E+03  0.667469E-07 0.100000E-04    0.992332E+00
  44   -0.258457E-04    0.213839E+03  0.120865E-06 0.100000E-04    0.993942E+00
  45    0.745845E-06    0.212359E+03 -0.351219E-08 0.100000E-04    0.929680E+00
  46    0.249448E-04    0.207311E+03 -0.120325E-06 0.100000E-04    0.995257E+00
  47   -0.298953E-04    0.203563E+03  0.146860E-06 0.100000E-04    0.999281E+00
  48    0.504191E-05    0.197445E+03 -0.255358E-07 0.100000E-04    0.994248E+00
  49   -0.251546E-04    0.195242E+03  0.128838E-06 0.100000E-04    0.995243E+00
  50    0.930987E-05    0.191513E+03 -0.486123E-07 0.100000E-04    0.989137E+00
  51   -0.162895E-04    0.184185E+03  0.884411E-07 0.100000E-04    0.995065E+00
  52   -0.356659E-05    0.174984E+03  0.203824E-07 0.100000E-04    0.986219E+00
  53   -0.130765E-04    0.171900E+03  0.760705E-07 0.100000E-04    0.997196E+00
  54    0.178620E-04    0.167557E+03 -0.106602E-06 0.100000E-04    0.993579E+00
  55   -0.203782E-04    0.164966E+03  0.123529E-06 0.100000E-04    0.998572E+00
  56    0.586494E-05    0.158907E+03 -0.369079E-07 0.100000E-04    0.992325E+00
  57   -0.105284E-04    0.154009E+03  0.683620E-07 0.100000E-04    0.993823E+00
  58   -0.242271E-04    0.151384E+03  0.160037E-06 0.100000E-04    0.997926E+00
  59    0.150739E-05    0.148581E+03 -0.101452E-07 0.100000E-04    0.988218E+00
  60    0.225622E-04    0.143291E+03 -0.157457E-06 0.100000E-04    0.996260E+00
  61   -0.280870E-04    0.137134E+03  0.204814E-06 0.100000E-04    0.997813E+00
  62    0.294482E-04    0.135841E+03 -0.216784E-06 0.100000E-04    0.997334E+00
  63   -0.228174E-04    0.130654E+03  0.174640E-06 0.100000E-04    0.996029E+00
  64   -0.269852E-04    0.128094E+03  0.210668E-06 0.100000E-04    0.994177E+00
  65    0.192838E-04    0.126133E+03 -0.152884E-06 0.100000E-04    0.993307E+00
  66    0.201561E-04    0.125547E+03 -0.160546E-06 0.100000E-04    0.991307E+00
  67   -0.754586E-05    0.119756E+03  0.630100E-07 0.100000E-04    0.987751E+00
  68   -0.924716E-05    0.118077E+03  0.783145E-07 0.100000E-04    0.999160E+00
  69    0.588286E-05    0.117034E+03 -0.502663E-07 0.100000E-04    0.999545E+00
  70   -0.265073E-04    0.110976E+03  0.238856E-06 0.100000E-04    0.994386E+00
  71    0.579463E-05    0.107814E+03 -0.537465E-07 0.100000E-04    0.996635E+00
  72    0.592457E-04    0.104734E+03 -0.565678E-06 0.100000E-04    0.997838E+00
  73   -0.280451E-04    0.103090E+03  0.272044E-06 0.100000E-04    0.997350E+00
  74    0.284358E-04    0.997670E+02 -0.285022E-06 0.100000E-04    0.996736E+00
  75    0.746343E-04    0.958615E+02 -0.778563E-06 0.100000E-04    0.996385E+00
  76   -0.701914E-06    0.947542E+02  0.740774E-08 0.100000E-04    0.567189E+00
  77   -0.572670E-04    0.930375E+02  0.615526E-06 0.100000E-04    0.996875E+00
  78    0.369998E-05    0.905290E+02 -0.408706E-07 0.100000E-04    0.930442E+00
  79    0.939601E-05    0.896762E+02 -0.104777E-06 0.100000E-04    0.988184E+00
  80    0.219644E-04    0.850138E+02 -0.258363E-06 0.100000E-04    0.996966E+00
  81   -0.223255E-04    0.809121E+02  0.275922E-06 0.100000E-04    0.998009E+00
  82    0.343321E-05    0.798307E+02 -0.430061E-07 0.100000E-04    0.934477E+00
  83    0.160821E-04    0.782823E+02 -0.205438E-06 0.100000E-04    0.992770E+00
  84    0.412971E-04    0.728017E+02 -0.567254E-06 0.100000E-04    0.997969E+00
  85    0.432697E-04    0.722546E+02 -0.598850E-06 0.100000E-04    0.996233E+00
  86    0.509854E-05    0.682785E+02 -0.746726E-07 0.100000E-04    0.956163E+00
  87   -0.433754E-04    0.664579E+02  0.652675E-06 0.100000E-04    0.999060E+00
  88    0.563760E-05    0.631718E+02 -0.892424E-07 0.100000E-04    0.991171E+00
  89   -0.484035E-04    0.600849E+02  0.805585E-06 0.100000E-04    0.992678E+00
  90   -0.426275E-04    0.597236E+02  0.713746E-06 0.100000E-04    0.989246E+00
  91   -0.730590E-05    0.590716E+02  0.123679E-06 0.100000E-04    0.977079E+00
  92    0.619391E-04    0.560415E+02 -0.110523E-05 0.100000E-04    0.997548E+00
  93    0.262792E-04    0.527559E+02 -0.498128E-06 0.100000E-04    0.988140E+00
  94    0.484415E-04    0.522943E+02 -0.926325E-06 0.100000E-04    0.999049E+00
  95   -0.220844E-04    0.500658E+02  0.441108E-06 0.100000E-04    0.987163E+00
  96   -0.648298E-05    0.475048E+02  0.136470E-06 0.100000E-04    0.995760E+00
  97    0.422474E-04    0.428767E+02 -0.985323E-06 0.100000E-04    0.997117E+00
  98    0.445686E-04    0.404102E+02 -0.110290E-05 0.100000E-04    0.996917E+00
  99   -0.123257E-03    0.374559E+02  0.329073E-05 0.100000E-04    0.998822E+00
 100    0.977203E-04    0.361921E+02 -0.270005E-05 0.100000E-04    0.998306E+00
 101    0.214773E-04    0.345168E+02 -0.622226E-06 0.100000E-04    0.994958E+00
 102    0.100126E-03    0.288110E+02 -0.347529E-05 0.100000E-04    0.999330E+00
 103   -0.219845E-04    0.286428E+02  0.767542E-06 0.100000E-04    0.982971E+00
 104   -0.891625E-04    0.274244E+02  0.325121E-05 0.100000E-04    0.999299E+00
 105   -0.589937E-04    0.230005E+02  0.256489E-05 0.100000E-04    0.996196E+00
 106    0.159785E-04    0.213287E+02 -0.749152E-06 0.100000E-04    0.961800E+00
 107    0.108977E-03    0.204414E+02 -0.533118E-05 0.100000E-04    0.997965E+00
 108    0.113765E-06    0.168102E+02 -0.676763E-08 0.100000E-04    0.854401E+00
 109   -0.717814E-04    0.137936E+02  0.520396E-05 0.100000E-04    0.995941E+00
 110    0.690469E-02    0.122458E+02 -0.100000E-04 0.100000E-04    0.451749E+00
 111   -0.329238E-02    0.990477E+01  0.100000E-04 0.100000E-04    0.701568E+00
 112    0.738413E-02    0.887257E+01 -0.109000E-04 0.109000E-04    0.417480E-01
 113    0.220983E-01    0.708117E+01 -0.161756E-04 0.161756E-04    0.290355E+00
 114   -0.669159E+00    0.418574E+01 -0.400000E-03 0.400000E-03    0.626555E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1559769479    

 Beginning of optimization cycle  340.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3538086987
 potential> RMS force:                                               0.0628705294   |gradient|=.6712735625    
 Eigenvalues of the Hessian matrix:
   734.09598    673.67711    627.09443    604.06497    588.15995    571.93128 
   566.97231    483.20840    464.78710    461.22719    441.40897    429.59145 
   421.87775    408.04977    397.33599    388.81584    367.98477    361.65081 
   350.75945    335.98218    326.07101    321.43644    320.28594    312.40257 
   303.81866    288.68385    278.72856    270.80027    266.97714    264.30266 
   259.74719    253.92626    242.21776    238.38515    234.93788    228.46616 
   219.95501    213.84696    212.36554    207.30617    203.56432    197.43796 
   195.23876    191.51121    184.17508    174.97366    171.90531    167.55825 
   164.95898    158.89683    154.01415    151.38971    148.57292    143.29296 
   137.13713    135.84352    130.65220    128.09841    126.13632    125.54434 
   119.75821    118.07811    117.03526    110.97015    107.80610    104.73105 
   103.09069     99.76582     95.85724     94.74473     93.04980     90.53296 
    89.67140     85.01671     80.91189     79.83296     78.28113     72.80357 
    72.25935     68.27800     66.44543     63.16773     60.07772     59.72302 
    59.07181     56.04198     52.75272     52.29505     50.06467     47.50018 
    42.87606     40.41275     37.46020     36.19510     34.50480     28.81056 
    28.64152     27.41633     23.00231     21.32231     20.44595     16.80965 
    13.79402     12.24560      9.90621      8.86611      7.07436      4.18075 
overlap for current and previous eigenvector    109 is         0.9999996744
overlap for current and previous eigenvector    110 is         0.9999995304
overlap for current and previous eigenvector    111 is         0.9999986138
overlap for current and previous eigenvector    112 is         0.9999929796
overlap for current and previous eigenvector    113 is         0.9999941741
overlap for current and previous eigenvector    114 is         0.9999997264
J1,K1,R1,R2,RAT=   7   7   -0.7516358948E-02     2.007345245        0.9924836411    
FOB,PFOB,DIAG,PSTEP=   -0.4554325073E-05   -0.4520345626E-05     734.0959810        0.6158230698E-08
J1,K1,R1,R2,RAT=   8   8    0.1321001173E-02     1.998653427        0.9986534270    
FOB,PFOB,DIAG,PSTEP=   -0.4963555369E-05   -0.4970120988E-05     673.6771146        0.7377695381E-08
J1,K1,R1,R2,RAT=   9   9   -0.4473434115E-01     2.044695591        0.9552656589    
FOB,PFOB,DIAG,PSTEP=   -0.2864402047E-06   -0.2741749321E-06     627.0944264        0.4372232201E-09
J1,K1,R1,R2,RAT=  10  10   -0.1756377482E-01     2.017592856        0.9824362252    
FOB,PFOB,DIAG,PSTEP=    0.2080807229E-05    0.2044891734E-05     604.0649664       -0.3385169003E-08
J1,K1,R1,R2,RAT=  11  11   -0.4159847043E-02     2.004193285        0.9958401530    
FOB,PFOB,DIAG,PSTEP=   -0.1502619116E-05   -0.1496394448E-05     588.1599521        0.2544153891E-08
J1,K1,R1,R2,RAT= 109 109   -0.4179003684E-03     2.000356454        0.9995820996    
FOB,PFOB,DIAG,PSTEP=   -0.7181135553E-04   -0.7178135716E-04     13.79402484        0.5203960658E-05
J1,K1,R1,R2,RAT= 110 110   -0.5598340614         113.3300249        0.4401659386    
FOB,PFOB,DIAG,PSTEP=    0.6973247528E-02    0.6904692496E-02     12.24559867       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2971960715         66.17379153        0.7028039285    
FOB,PFOB,DIAG,PSTEP=   -0.3262938503E-02   -0.3292379384E-02     9.906214736        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7835600056         153.5998986        0.2164399944    
FOB,PFOB,DIAG,PSTEP=    0.7459851137E-02    0.7384127467E-02     8.866105459       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8767077572         387.1037941        0.1232922428    
FOB,PFOB,DIAG,PSTEP=    0.2219863675E-01    0.2209831358E-01     7.074362884       -0.1617555037E-04
J1,K1,R1,R2,RAT= 114 114    0.9937556522        -801.2795812        0.6244347776E-02
FOB,PFOB,DIAG,PSTEP=   -0.6708206730       -0.6691588159         4.180748893       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001      0.00002 
    -0.00002      0.00001     -0.00001      0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00006 
    -0.00003      0.00003      0.00007     -0.00000     -0.00006     -0.00000 
    -0.00001      0.00002     -0.00002      0.00000      0.00002      0.00004 
     0.00004      0.00001     -0.00004      0.00001     -0.00005      0.00004 
     0.00001      0.00006      0.00003      0.00005     -0.00002     -0.00001 
     0.00004      0.00004     -0.00012      0.00010      0.00002      0.00010 
    -0.00002     -0.00009      0.00006      0.00002      0.00011      0.00000 
    -0.00007      0.00697     -0.00326      0.00746      0.02220     -0.67082 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4242496919
 Log product of positive Hessian eigenvalues =          519.7777132736
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1807488930
 Unscaled step for mode    7=        0.0000000062
 Unscaled step for mode    8=        0.0000000074
 Unscaled step for mode    9=        0.0000000005
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000044
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000025
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000135
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000394
 Unscaled step for mode   20=       -0.0000000180
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=        0.0000000197
 Unscaled step for mode   23=       -0.0000000015
 Unscaled step for mode   24=        0.0000000057
 Unscaled step for mode   25=        0.0000000581
 Unscaled step for mode   26=        0.0000000988
 Unscaled step for mode   27=        0.0000000512
 Unscaled step for mode   28=       -0.0000000443
 Unscaled step for mode   29=       -0.0000000356
 Unscaled step for mode   30=        0.0000000798
 Unscaled step for mode   31=        0.0000000504
 Unscaled step for mode   32=        0.0000000228
 Unscaled step for mode   33=       -0.0000000436
 Unscaled step for mode   34=       -0.0000000407
 Unscaled step for mode   35=       -0.0000000898
 Unscaled step for mode   36=       -0.0000000683
 Unscaled step for mode   37=        0.0000000711
 Unscaled step for mode   38=        0.0000000020
 Unscaled step for mode   39=        0.0000000807
 Unscaled step for mode   40=        0.0000000517
 Unscaled step for mode   41=        0.0000001674
 Unscaled step for mode   42=        0.0000000543
 Unscaled step for mode   43=        0.0000000669
 Unscaled step for mode   44=        0.0000001213
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001208
 Unscaled step for mode   47=        0.0000001467
 Unscaled step for mode   48=       -0.0000000257
 Unscaled step for mode   49=        0.0000001289
 Unscaled step for mode   50=       -0.0000000493
 Unscaled step for mode   51=        0.0000000884
 Unscaled step for mode   52=        0.0000000205
 Unscaled step for mode   53=        0.0000000763
 Unscaled step for mode   54=       -0.0000001068
 Unscaled step for mode   55=        0.0000001236
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=        0.0000000688
 Unscaled step for mode   58=       -0.0000001603
 Unscaled step for mode   59=       -0.0000000108
 Unscaled step for mode   60=       -0.0000001576
 Unscaled step for mode   61=        0.0000002064
 Unscaled step for mode   62=       -0.0000002167
 Unscaled step for mode   63=        0.0000001754
 Unscaled step for mode   64=        0.0000002118
 Unscaled step for mode   65=       -0.0000001546
 Unscaled step for mode   66=       -0.0000001600
 Unscaled step for mode   67=        0.0000000631
 Unscaled step for mode   68=        0.0000000785
 Unscaled step for mode   69=       -0.0000000508
 Unscaled step for mode   70=        0.0000002387
 Unscaled step for mode   71=       -0.0000000539
 Unscaled step for mode   72=       -0.0000005688
 Unscaled step for mode   73=        0.0000002726
 Unscaled step for mode   74=       -0.0000002855
 Unscaled step for mode   75=       -0.0000007811
 Unscaled step for mode   76=        0.0000000009
 Unscaled step for mode   77=        0.0000006137
 Unscaled step for mode   78=        0.0000000412
 Unscaled step for mode   79=        0.0000001051
 Unscaled step for mode   80=       -0.0000002581
 Unscaled step for mode   81=        0.0000002767
 Unscaled step for mode   82=       -0.0000000438
 Unscaled step for mode   83=       -0.0000002042
 Unscaled step for mode   84=       -0.0000005713
 Unscaled step for mode   85=       -0.0000006007
 Unscaled step for mode   86=       -0.0000000776
 Unscaled step for mode   87=        0.0000006535
 Unscaled step for mode   88=       -0.0000000907
 Unscaled step for mode   89=        0.0000007985
 Unscaled step for mode   90=       -0.0000007274
 Unscaled step for mode   91=       -0.0000001285
 Unscaled step for mode   92=       -0.0000011035
 Unscaled step for mode   93=       -0.0000004961
 Unscaled step for mode   94=       -0.0000009313
 Unscaled step for mode   95=        0.0000004427
 Unscaled step for mode   96=        0.0000001325
 Unscaled step for mode   97=       -0.0000009926
 Unscaled step for mode   98=       -0.0000011088
 Unscaled step for mode   99=        0.0000033024
 Unscaled step for mode  100=       -0.0000026926
 Unscaled step for mode  101=       -0.0000006360
 Unscaled step for mode  102=       -0.0000034872
 Unscaled step for mode  103=        0.0000007792
 Unscaled step for mode  104=        0.0000032858
 Unscaled step for mode  105=       -0.0000025694
 Unscaled step for mode  106=       -0.0000008103
 Unscaled step for mode  107=       -0.0000052921
 Unscaled step for mode  108=       -0.0000000531
 Unscaled step for mode  109=        0.0000052060
 Unscaled step for mode  110=       -0.0005694491
 Unscaled step for mode  111=        0.0003293829
 Unscaled step for mode  112=       -0.0008413893
 Unscaled step for mode  113=       -0.0031378682
 Unscaled step for mode  114=       -0.1565235869
 Largest modulus ratio of non-zero e/values=           175.5895893    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.672205E-16    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.752328E-15    0.100709E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.211553E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.145663E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.249800E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.104354E-15    0.973915E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.455433E-05    0.734096E+03  0.620399E-08 0.100000E-04    0.992484E+00
   8   -0.496356E-05    0.673677E+03  0.736786E-08 0.100000E-04    0.998653E+00
   9   -0.286440E-06    0.627094E+03  0.456774E-09 0.100000E-04    0.955266E+00
  10    0.208081E-05    0.604065E+03 -0.344467E-08 0.100000E-04    0.982436E+00
  11   -0.150262E-05    0.588160E+03  0.255478E-08 0.100000E-04    0.995840E+00
  12   -0.251632E-05    0.571931E+03  0.439969E-08 0.100000E-04    0.993932E+00
  13   -0.356258E-05    0.566972E+03  0.628352E-08 0.100000E-04    0.993883E+00
  14   -0.118995E-05    0.483208E+03  0.246259E-08 0.100000E-04    0.980015E+00
  15    0.185010E-05    0.464787E+03 -0.398053E-08 0.100000E-04    0.990196E+00
  16    0.621646E-05    0.461227E+03 -0.134781E-07 0.100000E-04    0.994392E+00
  17    0.451092E-05    0.441409E+03 -0.102194E-07 0.100000E-04    0.992770E+00
  18    0.502593E-05    0.429591E+03 -0.116993E-07 0.100000E-04    0.998581E+00
  19   -0.166138E-04    0.421878E+03  0.393806E-07 0.100000E-04    0.996561E+00
  20    0.735659E-05    0.408050E+03 -0.180287E-07 0.100000E-04    0.999299E+00
  21    0.702880E-05    0.397336E+03 -0.176898E-07 0.100000E-04    0.999539E+00
  22   -0.765574E-05    0.388816E+03  0.196899E-07 0.100000E-04    0.992844E+00
  23    0.566115E-06    0.367985E+03 -0.153842E-08 0.100000E-04    0.975811E+00
  24   -0.207546E-05    0.361651E+03  0.573884E-08 0.100000E-04    0.981142E+00
  25   -0.203643E-04    0.350759E+03  0.580579E-07 0.100000E-04    0.997848E+00
  26   -0.331812E-04    0.335982E+03  0.987588E-07 0.100000E-04    0.997607E+00
  27   -0.166960E-04    0.326071E+03  0.512035E-07 0.100000E-04    0.998999E+00
  28    0.142273E-04    0.321436E+03 -0.442615E-07 0.100000E-04    0.995866E+00
  29    0.113925E-04    0.320286E+03 -0.355697E-07 0.100000E-04    0.980469E+00
  30   -0.249198E-04    0.312403E+03  0.797683E-07 0.100000E-04    0.998618E+00
  31   -0.153085E-04    0.303819E+03  0.503871E-07 0.100000E-04    0.996982E+00
  32   -0.657700E-05    0.288684E+03  0.227827E-07 0.100000E-04    0.992582E+00
  33    0.121497E-04    0.278729E+03 -0.435897E-07 0.100000E-04    0.993399E+00
  34    0.110152E-04    0.270800E+03 -0.406766E-07 0.100000E-04    0.991352E+00
  35    0.239820E-04    0.266977E+03 -0.898280E-07 0.100000E-04    0.998898E+00
  36    0.180393E-04    0.264303E+03 -0.682524E-07 0.100000E-04    0.996710E+00
  37   -0.184732E-04    0.259747E+03  0.711200E-07 0.100000E-04    0.996958E+00
  38   -0.505703E-06    0.253926E+03  0.199153E-08 0.100000E-04    0.904385E+00
  39   -0.195535E-04    0.242218E+03  0.807270E-07 0.100000E-04    0.997356E+00
  40   -0.123278E-04    0.238385E+03  0.517140E-07 0.100000E-04    0.983877E+00
  41   -0.393279E-04    0.234938E+03  0.167397E-06 0.100000E-04    0.997494E+00
  42   -0.123975E-04    0.228466E+03  0.542639E-07 0.100000E-04    0.996096E+00
  43   -0.147220E-04    0.219955E+03  0.669319E-07 0.100000E-04    0.997322E+00
  44   -0.259341E-04    0.213847E+03  0.121274E-06 0.100000E-04    0.996580E+00
  45    0.820531E-06    0.212366E+03 -0.386377E-08 0.100000E-04    0.899867E+00
  46    0.250392E-04    0.207306E+03 -0.120784E-06 0.100000E-04    0.996213E+00
  47   -0.298650E-04    0.203564E+03  0.146710E-06 0.100000E-04    0.998975E+00
  48    0.508108E-05    0.197438E+03 -0.257351E-07 0.100000E-04    0.992231E+00
  49   -0.251728E-04    0.195239E+03  0.128933E-06 0.100000E-04    0.999275E+00
  50    0.943638E-05    0.191511E+03 -0.492733E-07 0.100000E-04    0.986411E+00
  51   -0.162884E-04    0.184175E+03  0.884399E-07 0.100000E-04    0.999932E+00
  52   -0.358396E-05    0.174974E+03  0.204829E-07 0.100000E-04    0.995131E+00
  53   -0.131181E-04    0.171905E+03  0.763098E-07 0.100000E-04    0.996821E+00
  54    0.179034E-04    0.167558E+03 -0.106849E-06 0.100000E-04    0.997680E+00
  55   -0.203943E-04    0.164959E+03  0.123633E-06 0.100000E-04    0.999208E+00
  56    0.590515E-05    0.158897E+03 -0.371634E-07 0.100000E-04    0.993143E+00
  57   -0.105933E-04    0.154014E+03  0.687815E-07 0.100000E-04    0.993830E+00
  58    0.242739E-04    0.151390E+03 -0.160341E-06 0.100000E-04    0.998068E+00
  59    0.160247E-05    0.148573E+03 -0.107857E-07 0.100000E-04    0.936924E+00
  60    0.225787E-04    0.143293E+03 -0.157570E-06 0.100000E-04    0.999266E+00
  61   -0.283029E-04    0.137137E+03  0.206384E-06 0.100000E-04    0.992316E+00
  62    0.294312E-04    0.135844E+03 -0.216655E-06 0.100000E-04    0.999384E+00
  63   -0.229122E-04    0.130652E+03  0.175368E-06 0.100000E-04    0.995845E+00
  64   -0.271273E-04    0.128098E+03  0.211770E-06 0.100000E-04    0.994733E+00
  65    0.195023E-04    0.126136E+03 -0.154613E-06 0.100000E-04    0.988672E+00
  66    0.200814E-04    0.125544E+03 -0.159955E-06 0.100000E-04    0.996294E+00
  67   -0.755267E-05    0.119758E+03  0.630660E-07 0.100000E-04    0.999098E+00
  68   -0.926625E-05    0.118078E+03  0.784756E-07 0.100000E-04    0.997936E+00
  69    0.594984E-05    0.117035E+03 -0.508380E-07 0.100000E-04    0.988615E+00
  70   -0.264897E-04    0.110970E+03  0.238710E-06 0.100000E-04    0.999336E+00
  71    0.581398E-05    0.107806E+03 -0.539299E-07 0.100000E-04    0.996661E+00
  72    0.595737E-04    0.104731E+03 -0.568826E-06 0.100000E-04    0.994462E+00
  73   -0.281033E-04    0.103091E+03  0.272607E-06 0.100000E-04    0.997925E+00
  74    0.284814E-04    0.997658E+02 -0.285482E-06 0.100000E-04    0.998397E+00
  75    0.748717E-04    0.958572E+02 -0.781075E-06 0.100000E-04    0.996819E+00
  76   -0.899193E-07    0.947447E+02  0.949069E-09 0.109000E-04    0.128019E+00
  77   -0.571019E-04    0.930498E+02  0.613671E-06 0.100000E-04    0.996855E+00
  78   -0.372560E-05    0.905330E+02  0.411519E-07 0.100000E-04    0.993074E+00
  79   -0.942082E-05    0.896714E+02  0.105059E-06 0.100000E-04    0.997360E+00
  80    0.219404E-04    0.850167E+02 -0.258072E-06 0.100000E-04    0.998838E+00
  81   -0.223913E-04    0.809119E+02  0.276736E-06 0.100000E-04    0.997053E+00
  82    0.349515E-05    0.798330E+02 -0.437807E-07 0.100000E-04    0.981960E+00
  83    0.159824E-04    0.782811E+02 -0.204167E-06 0.100000E-04    0.993797E+00
  84    0.415921E-04    0.728036E+02 -0.571293E-06 0.100000E-04    0.992855E+00
  85    0.434094E-04    0.722593E+02 -0.600744E-06 0.100000E-04    0.996771E+00
  86    0.529991E-05    0.682780E+02 -0.776225E-07 0.100000E-04    0.960503E+00
  87   -0.434208E-04    0.664454E+02  0.653480E-06 0.100000E-04    0.998954E+00
  88    0.572730E-05    0.631677E+02 -0.906681E-07 0.100000E-04    0.984088E+00
  89   -0.479730E-04    0.600777E+02  0.798515E-06 0.100000E-04    0.991105E+00
  90    0.434453E-04    0.597230E+02 -0.727446E-06 0.100000E-04    0.980816E+00
  91    0.758821E-05    0.590718E+02 -0.128457E-06 0.100000E-04    0.961358E+00
  92    0.618450E-04    0.560420E+02 -0.110355E-05 0.100000E-04    0.998465E+00
  93    0.261730E-04    0.527527E+02 -0.496145E-06 0.100000E-04    0.995960E+00
  94    0.487016E-04    0.522951E+02 -0.931286E-06 0.100000E-04    0.994630E+00
  95   -0.221625E-04    0.500647E+02  0.442677E-06 0.100000E-04    0.996466E+00
  96   -0.629551E-05    0.475002E+02  0.132537E-06 0.100000E-04    0.971079E+00
  97    0.425582E-04    0.428761E+02 -0.992586E-06 0.100000E-04    0.992644E+00
  98    0.448108E-04    0.404128E+02 -0.110883E-05 0.100000E-04    0.994567E+00
  99   -0.123709E-03    0.374602E+02  0.330242E-05 0.100000E-04    0.996333E+00
 100    0.974575E-04    0.361951E+02 -0.269256E-05 0.100000E-04    0.997142E+00
 101    0.219465E-04    0.345048E+02 -0.636043E-06 0.100000E-04    0.978142E+00
 102    0.100467E-03    0.288106E+02 -0.348716E-05 0.100000E-04    0.996598E+00
 103   -0.223175E-04    0.286415E+02  0.779199E-06 0.100000E-04    0.984856E+00
 104   -0.900836E-04    0.274163E+02  0.328577E-05 0.100000E-04    0.989666E+00
 105    0.591010E-04    0.230023E+02 -0.256935E-05 0.100000E-04    0.998181E+00
 106    0.172774E-04    0.213223E+02 -0.810297E-06 0.100000E-04    0.918681E+00
 107    0.108202E-03    0.204460E+02 -0.529211E-05 0.100000E-04    0.992448E+00
 108    0.892410E-06    0.168096E+02 -0.530891E-07 0.100000E-04    0.584454E+01
 109   -0.718114E-04    0.137940E+02  0.520598E-05 0.100000E-04    0.999582E+00
 110    0.697325E-02    0.122456E+02 -0.100000E-04 0.100000E-04    0.440166E+00
 111   -0.326294E-02    0.990621E+01  0.100000E-04 0.100000E-04    0.702804E+00
 112    0.745985E-02    0.886611E+01 -0.100000E-04 0.100000E-04    0.216440E+00
 113    0.221986E-01    0.707436E+01 -0.176313E-04 0.176313E-04    0.123292E+00
 114   -0.670821E+00    0.418075E+01 -0.400000E-03 0.400000E-03    0.624435E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1565235869    

 Beginning of optimization cycle  341.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3535406034
 potential> RMS force:                                               0.0630263012   |gradient|=.6729367501    
 Eigenvalues of the Hessian matrix:
   734.15882    673.68555    627.10653    604.05629    588.15000    571.97437 
   566.97713    483.23409    464.76384    461.22062    441.41067    429.58410 
   421.88164    408.05722    397.33095    388.81443    367.99249    361.64219 
   350.75225    335.96499    326.08442    321.43556    320.28828    312.37948 
   303.80602    288.69316    278.72358    270.80441    266.98593    264.30946 
   259.76249    253.92740    242.21352    238.39770    234.92532    228.46183 
   219.93418    213.85471    212.37183    207.30151    203.56527    197.43088 
   195.23536    191.50969    184.16511    174.96299    171.91083    167.55918 
   164.95152    158.88614    154.01928    151.39533    148.56445    143.29522 
   137.13997    135.84605    130.65058    128.10300    126.13920    125.54145 
   119.75999    118.07895    117.03666    110.96440    107.79812    104.72810 
   103.09098     99.76458     95.85306     94.73511     93.06207     90.53692 
    89.66651     85.01963     80.91165     79.83526     78.27992     72.80546 
    72.26404     68.27739     66.43297     63.16363     60.07066     59.72228 
    59.07192     56.04237     52.74952     52.29581     50.06356     47.49544 
    42.87545     40.41530     37.46444     36.19801     34.49275     28.81014 
    28.64026     27.40824     23.00417     21.31588     20.45044     16.80912 
    13.79445     12.24537      9.90767      8.85968      7.06749      4.17574 
overlap for current and previous eigenvector    109 is        -0.9999996737
overlap for current and previous eigenvector    110 is         0.9999995302
overlap for current and previous eigenvector    111 is        -0.9999986461
overlap for current and previous eigenvector    112 is         0.9999930155
overlap for current and previous eigenvector    113 is        -0.9999941757
overlap for current and previous eigenvector    114 is         0.9999997262
J1,K1,R1,R2,RAT=   7   7   -0.6090401354E-02     2.005919226        0.9939095986    
FOB,PFOB,DIAG,PSTEP=   -0.4582065115E-05   -0.4554325073E-05     734.1588161        0.6203991292E-08
J1,K1,R1,R2,RAT=   8   8   -0.8358389354E-02     2.008333348        0.9916416106    
FOB,PFOB,DIAG,PSTEP=   -0.5005043217E-05   -0.4963555369E-05     673.6855495        0.7367855106E-08
J1,K1,R1,R2,RAT=   9   9   -0.2945585732E-01     2.029417246        0.9705441427    
FOB,PFOB,DIAG,PSTEP=   -0.2948777094E-06   -0.2864402047E-06     627.1065331        0.4567736415E-09
J1,K1,R1,R2,RAT=  10  10    0.8819788190E-02     1.991208946        0.9911802118    
FOB,PFOB,DIAG,PSTEP=    0.2062455214E-05    0.2080807229E-05     604.0562879       -0.3444674572E-08
J1,K1,R1,R2,RAT=  11  11   -0.5354638592E-02     2.005388468        0.9946453614    
FOB,PFOB,DIAG,PSTEP=   -0.1510664963E-05   -0.1502619116E-05     588.1500037        0.2554779718E-08
J1,K1,R1,R2,RAT= 109 109     1.996012839        0.3925792882E-02    0.9960128392    
FOB,PFOB,DIAG,PSTEP=    0.7152943037E-04   -0.7181135553E-04     13.79444811        0.5205975513E-05
J1,K1,R1,R2,RAT= 110 110   -0.5528217558         114.4448488        0.4471782442    
FOB,PFOB,DIAG,PSTEP=    0.7040942573E-02    0.6973247528E-02     12.24536556       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     65.56486953        0.3020550413        0.6979449587    
FOB,PFOB,DIAG,PSTEP=    0.3233011889E-02   -0.3262938503E-02     9.907669211        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9570907195         169.3571419        0.4290928054E-01
FOB,PFOB,DIAG,PSTEP=    0.7544646293E-02    0.7459851137E-02     8.859677993       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     357.0371597       -0.7457434801        0.2542565199    
FOB,PFOB,DIAG,PSTEP=   -0.2229156343E-01    0.2219863675E-01     7.067492829       -0.1763134990E-04
J1,K1,R1,R2,RAT= 114 114    0.9936711849        -804.2284392        0.6328815101E-02
FOB,PFOB,DIAG,PSTEP=   -0.6724803999       -0.6708206730         4.175744749       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001      0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001     -0.00006 
    -0.00003     -0.00003      0.00008      0.00000     -0.00006     -0.00000 
     0.00001      0.00002     -0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004      0.00001      0.00004     -0.00001     -0.00005     -0.00004 
     0.00001      0.00006     -0.00003      0.00005      0.00002     -0.00001 
     0.00004      0.00004     -0.00012     -0.00010     -0.00002      0.00010 
    -0.00002     -0.00009      0.00006     -0.00002      0.00011      0.00000 
     0.00007      0.00704      0.00323      0.00754     -0.02229     -0.67248 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4240927535
 Log product of positive Hessian eigenvalues =          519.7738357449
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1757447493
 Unscaled step for mode    7=        0.0000000062
 Unscaled step for mode    8=        0.0000000074
 Unscaled step for mode    9=        0.0000000005
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000045
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000024
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000135
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000394
 Unscaled step for mode   20=       -0.0000000179
 Unscaled step for mode   21=       -0.0000000176
 Unscaled step for mode   22=        0.0000000198
 Unscaled step for mode   23=       -0.0000000016
 Unscaled step for mode   24=        0.0000000058
 Unscaled step for mode   25=        0.0000000582
 Unscaled step for mode   26=        0.0000000989
 Unscaled step for mode   27=        0.0000000513
 Unscaled step for mode   28=       -0.0000000444
 Unscaled step for mode   29=       -0.0000000361
 Unscaled step for mode   30=        0.0000000799
 Unscaled step for mode   31=        0.0000000508
 Unscaled step for mode   32=        0.0000000228
 Unscaled step for mode   33=       -0.0000000436
 Unscaled step for mode   34=       -0.0000000408
 Unscaled step for mode   35=       -0.0000000900
 Unscaled step for mode   36=       -0.0000000685
 Unscaled step for mode   37=        0.0000000713
 Unscaled step for mode   38=        0.0000000018
 Unscaled step for mode   39=        0.0000000808
 Unscaled step for mode   40=        0.0000000524
 Unscaled step for mode   41=        0.0000001679
 Unscaled step for mode   42=        0.0000000546
 Unscaled step for mode   43=        0.0000000674
 Unscaled step for mode   44=        0.0000001220
 Unscaled step for mode   45=       -0.0000000036
 Unscaled step for mode   46=       -0.0000001214
 Unscaled step for mode   47=        0.0000001468
 Unscaled step for mode   48=       -0.0000000259
 Unscaled step for mode   49=        0.0000001295
 Unscaled step for mode   50=       -0.0000000488
 Unscaled step for mode   51=        0.0000000889
 Unscaled step for mode   52=        0.0000000208
 Unscaled step for mode   53=        0.0000000765
 Unscaled step for mode   54=        0.0000001075
 Unscaled step for mode   55=       -0.0000001238
 Unscaled step for mode   56=       -0.0000000369
 Unscaled step for mode   57=       -0.0000000692
 Unscaled step for mode   58=       -0.0000001606
 Unscaled step for mode   59=       -0.0000000109
 Unscaled step for mode   60=       -0.0000001581
 Unscaled step for mode   61=        0.0000002068
 Unscaled step for mode   62=       -0.0000002161
 Unscaled step for mode   63=        0.0000001747
 Unscaled step for mode   64=        0.0000002130
 Unscaled step for mode   65=       -0.0000001555
 Unscaled step for mode   66=       -0.0000001586
 Unscaled step for mode   67=        0.0000000638
 Unscaled step for mode   68=       -0.0000000785
 Unscaled step for mode   69=        0.0000000508
 Unscaled step for mode   70=        0.0000002400
 Unscaled step for mode   71=       -0.0000000541
 Unscaled step for mode   72=        0.0000005701
 Unscaled step for mode   73=        0.0000002733
 Unscaled step for mode   74=        0.0000002845
 Unscaled step for mode   75=       -0.0000007837
 Unscaled step for mode   76=       -0.0000000047
 Unscaled step for mode   77=        0.0000006117
 Unscaled step for mode   78=        0.0000000439
 Unscaled step for mode   79=       -0.0000001038
 Unscaled step for mode   80=       -0.0000002588
 Unscaled step for mode   81=        0.0000002773
 Unscaled step for mode   82=        0.0000000464
 Unscaled step for mode   83=        0.0000002056
 Unscaled step for mode   84=        0.0000005724
 Unscaled step for mode   85=        0.0000005984
 Unscaled step for mode   86=       -0.0000000808
 Unscaled step for mode   87=       -0.0000006544
 Unscaled step for mode   88=        0.0000000914
 Unscaled step for mode   89=        0.0000007922
 Unscaled step for mode   90=        0.0000007358
 Unscaled step for mode   91=       -0.0000001316
 Unscaled step for mode   92=       -0.0000011060
 Unscaled step for mode   93=        0.0000004903
 Unscaled step for mode   94=       -0.0000009319
 Unscaled step for mode   95=       -0.0000004369
 Unscaled step for mode   96=        0.0000001316
 Unscaled step for mode   97=       -0.0000009898
 Unscaled step for mode   98=       -0.0000011116
 Unscaled step for mode   99=        0.0000032987
 Unscaled step for mode  100=        0.0000026881
 Unscaled step for mode  101=        0.0000006351
 Unscaled step for mode  102=       -0.0000034848
 Unscaled step for mode  103=        0.0000007924
 Unscaled step for mode  104=        0.0000032859
 Unscaled step for mode  105=       -0.0000025811
 Unscaled step for mode  106=        0.0000007856
 Unscaled step for mode  107=       -0.0000052997
 Unscaled step for mode  108=       -0.0000000558
 Unscaled step for mode  109=       -0.0000051854
 Unscaled step for mode  110=       -0.0005749882
 Unscaled step for mode  111=       -0.0003263140
 Unscaled step for mode  112=       -0.0008515705
 Unscaled step for mode  113=        0.0031540664
 Unscaled step for mode  114=       -0.1570712351
 Largest modulus ratio of non-zero e/values=           175.8150606    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.237874E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.905200E-15    0.100708E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.857821E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.110751E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.316289E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.115985E-14    0.973917E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.458207E-05    0.734159E+03  0.624125E-08 0.100000E-04    0.993910E+00
   8   -0.500504E-05    0.673686E+03  0.742935E-08 0.100000E-04    0.991642E+00
   9   -0.294878E-06    0.627107E+03  0.470219E-09 0.100000E-04    0.970544E+00
  10    0.206246E-05    0.604056E+03 -0.341434E-08 0.100000E-04    0.991180E+00
  11   -0.151066E-05    0.588150E+03  0.256850E-08 0.100000E-04    0.994645E+00
  12   -0.257164E-05    0.571974E+03  0.449607E-08 0.100000E-04    0.978018E+00
  13   -0.358897E-05    0.566977E+03  0.633000E-08 0.100000E-04    0.992594E+00
  14   -0.113685E-05    0.483234E+03  0.235258E-08 0.100000E-04    0.955273E+00
  15    0.187265E-05    0.464764E+03 -0.402925E-08 0.100000E-04    0.987809E+00
  16    0.622710E-05    0.461221E+03 -0.135013E-07 0.100000E-04    0.998289E+00
  17    0.450154E-05    0.441411E+03 -0.101981E-07 0.100000E-04    0.997914E+00
  18    0.503981E-05    0.429584E+03 -0.117318E-07 0.100000E-04    0.997239E+00
  19   -0.166419E-04    0.421882E+03  0.394468E-07 0.100000E-04    0.998310E+00
  20    0.732430E-05    0.408057E+03 -0.179492E-07 0.100000E-04    0.995574E+00
  21    0.701073E-05    0.397331E+03 -0.176446E-07 0.100000E-04    0.997428E+00
  22   -0.768055E-05    0.388814E+03  0.197538E-07 0.100000E-04    0.996760E+00
  23    0.592366E-06    0.367992E+03 -0.160972E-08 0.100000E-04    0.953629E+00
  24   -0.210188E-05    0.361642E+03  0.581205E-08 0.100000E-04    0.987267E+00
  25   -0.204184E-04    0.350752E+03  0.582132E-07 0.100000E-04    0.997344E+00
  26   -0.332230E-04    0.335965E+03  0.988884E-07 0.100000E-04    0.998739E+00
  27   -0.167350E-04    0.326084E+03  0.513210E-07 0.100000E-04    0.997665E+00
  28    0.142669E-04    0.321436E+03 -0.443850E-07 0.100000E-04    0.997212E+00
  29    0.115559E-04    0.320288E+03 -0.360795E-07 0.100000E-04    0.985659E+00
  30   -0.249569E-04    0.312379E+03  0.798930E-07 0.100000E-04    0.998510E+00
  31   -0.154248E-04    0.303806E+03  0.507720E-07 0.100000E-04    0.992404E+00
  32   -0.659469E-05    0.288693E+03  0.228432E-07 0.100000E-04    0.997310E+00
  33    0.121515E-04    0.278724E+03 -0.435971E-07 0.100000E-04    0.999846E+00
  34    0.110617E-04    0.270804E+03 -0.408475E-07 0.100000E-04    0.995781E+00
  35    0.240176E-04    0.266986E+03 -0.899584E-07 0.100000E-04    0.998515E+00
  36    0.181081E-04    0.264309E+03 -0.685109E-07 0.100000E-04    0.996187E+00
  37   -0.185243E-04    0.259762E+03  0.713124E-07 0.100000E-04    0.997235E+00
  38   -0.461924E-06    0.253927E+03  0.181912E-08 0.100000E-04    0.913421E+00
  39   -0.195784E-04    0.242214E+03  0.808312E-07 0.100000E-04    0.998727E+00
  40   -0.124910E-04    0.238398E+03  0.523958E-07 0.100000E-04    0.986763E+00
  41   -0.394459E-04    0.234925E+03  0.167908E-06 0.100000E-04    0.996999E+00
  42   -0.124695E-04    0.228462E+03  0.545800E-07 0.100000E-04    0.994193E+00
  43   -0.148323E-04    0.219934E+03  0.674395E-07 0.100000E-04    0.992511E+00
  44   -0.260877E-04    0.213855E+03  0.121988E-06 0.100000E-04    0.994076E+00
  45    0.768708E-06    0.212372E+03 -0.361963E-08 0.100000E-04    0.936784E+00
  46    0.251572E-04    0.207302E+03 -0.121356E-06 0.100000E-04    0.995288E+00
  47   -0.298831E-04    0.203565E+03  0.146799E-06 0.100000E-04    0.999394E+00
  48    0.511075E-05    0.197431E+03 -0.258863E-07 0.100000E-04    0.994160E+00
  49   -0.252915E-04    0.195235E+03  0.129544E-06 0.100000E-04    0.995285E+00
  50    0.933836E-05    0.191510E+03 -0.487618E-07 0.100000E-04    0.989612E+00
  51   -0.163683E-04    0.184165E+03  0.888782E-07 0.100000E-04    0.995098E+00
  52   -0.363340E-05    0.174963E+03  0.207667E-07 0.100000E-04    0.986205E+00
  53   -0.131551E-04    0.171911E+03  0.765228E-07 0.100000E-04    0.997177E+00
  54   -0.180151E-04    0.167559E+03  0.107515E-06 0.100000E-04    0.993759E+00
  55    0.204149E-04    0.164952E+03 -0.123763E-06 0.100000E-04    0.998991E+00
  56    0.585976E-05    0.158886E+03 -0.368802E-07 0.100000E-04    0.992312E+00
  57    0.106544E-04    0.154019E+03 -0.691758E-07 0.100000E-04    0.994234E+00
  58    0.243181E-04    0.151395E+03 -0.160627E-06 0.100000E-04    0.998180E+00
  59    0.162035E-05    0.148564E+03 -0.109067E-07 0.100000E-04    0.988841E+00
  60    0.226583E-04    0.143295E+03 -0.158123E-06 0.100000E-04    0.996474E+00
  61   -0.283619E-04    0.137140E+03  0.206810E-06 0.100000E-04    0.997915E+00
  62    0.293504E-04    0.135846E+03 -0.216056E-06 0.100000E-04    0.997217E+00
  63   -0.228257E-04    0.130651E+03  0.174708E-06 0.100000E-04    0.996228E+00
  64   -0.272845E-04    0.128103E+03  0.212988E-06 0.100000E-04    0.994209E+00
  65    0.196207E-04    0.126139E+03 -0.155548E-06 0.100000E-04    0.993930E+00
  66    0.199059E-04    0.125541E+03 -0.158560E-06 0.100000E-04    0.991260E+00
  67   -0.763795E-05    0.119760E+03  0.637772E-07 0.100000E-04    0.988708E+00
  68    0.926874E-05    0.118079E+03 -0.784961E-07 0.100000E-04    0.999731E+00
  69   -0.594725E-05    0.117037E+03  0.508153E-07 0.100000E-04    0.999540E+00
  70   -0.266351E-04    0.110964E+03  0.240033E-06 0.100000E-04    0.994510E+00
  71    0.583574E-05    0.107798E+03 -0.541358E-07 0.100000E-04    0.996257E+00
  72   -0.597065E-04    0.104728E+03  0.570109E-06 0.100000E-04    0.997772E+00
  73   -0.281708E-04    0.103091E+03  0.273262E-06 0.100000E-04    0.997597E+00
  74   -0.283796E-04    0.997646E+02  0.284465E-06 0.100000E-04    0.996425E+00
  75    0.751226E-04    0.958531E+02 -0.783727E-06 0.100000E-04    0.996648E+00
  76    0.443051E-06    0.947351E+02 -0.467673E-08 0.100000E-04    0.292760E+01
  77   -0.569237E-04    0.930621E+02  0.611675E-06 0.100000E-04    0.996615E+00
  78   -0.397069E-05    0.905369E+02  0.438571E-07 0.100000E-04    0.934218E+00
  79    0.930820E-05    0.896665E+02 -0.103809E-06 0.100000E-04    0.988045E+00
  80    0.220033E-04    0.850196E+02 -0.258802E-06 0.100000E-04    0.997134E+00
  81   -0.224334E-04    0.809117E+02  0.277258E-06 0.100000E-04    0.998120E+00
  82   -0.370786E-05    0.798353E+02  0.464439E-07 0.100000E-04    0.939142E+00
  83   -0.160974E-04    0.782799E+02  0.205639E-06 0.100000E-04    0.992802E+00
  84   -0.416719E-04    0.728055E+02  0.572374E-06 0.100000E-04    0.998082E+00
  85   -0.432444E-04    0.722640E+02  0.598422E-06 0.100000E-04    0.996069E+00
  86    0.551421E-05    0.682774E+02 -0.807618E-07 0.100000E-04    0.959566E+00
  87    0.434738E-04    0.664330E+02 -0.654401E-06 0.100000E-04    0.998778E+00
  88   -0.577221E-05    0.631636E+02  0.913850E-07 0.100000E-04    0.992158E+00
  89   -0.475882E-04    0.600707E+02  0.792203E-06 0.100000E-04    0.991978E+00
  90   -0.439428E-04    0.597223E+02  0.735786E-06 0.100000E-04    0.988548E+00
  91    0.777466E-05    0.590719E+02 -0.131613E-06 0.100000E-04    0.975429E+00
  92    0.619827E-04    0.560424E+02 -0.110600E-05 0.100000E-04    0.997773E+00
  93   -0.258638E-04    0.527495E+02  0.490313E-06 0.100000E-04    0.988185E+00
  94    0.487357E-04    0.522958E+02 -0.931923E-06 0.100000E-04    0.999301E+00
  95    0.218705E-04    0.500636E+02 -0.436855E-06 0.100000E-04    0.986826E+00
  96   -0.625213E-05    0.474954E+02  0.131636E-06 0.100000E-04    0.993109E+00
  97    0.424401E-04    0.428754E+02 -0.989846E-06 0.100000E-04    0.997225E+00
  98    0.449274E-04    0.404153E+02 -0.111164E-05 0.100000E-04    0.997396E+00
  99   -0.123582E-03    0.374644E+02  0.329865E-05 0.100000E-04    0.998746E+00
 100   -0.973042E-04    0.361980E+02  0.268811E-05 0.100000E-04    0.998266E+00
 101   -0.219064E-04    0.344928E+02  0.635101E-06 0.100000E-04    0.998169E+00
 102    0.100398E-03    0.288101E+02 -0.348483E-05 0.100000E-04    0.999318E+00
 103   -0.226950E-04    0.286403E+02  0.792416E-06 0.100000E-04    0.983082E+00
 104   -0.900608E-04    0.274082E+02  0.328590E-05 0.100000E-04    0.999746E+00
 105    0.593757E-04    0.230042E+02 -0.258108E-05 0.100000E-04    0.995353E+00
 106   -0.167466E-04    0.213159E+02  0.785639E-06 0.100000E-04    0.969268E+00
 107    0.108381E-03    0.204504E+02 -0.529968E-05 0.100000E-04    0.998349E+00
 108    0.937957E-06    0.168091E+02 -0.558005E-07 0.100000E-04    0.948960E+00
 109    0.715294E-04    0.137944E+02 -0.518538E-05 0.100000E-04    0.996013E+00
 110    0.704094E-02    0.122454E+02 -0.100000E-04 0.100000E-04    0.447178E+00
 111    0.323301E-02    0.990767E+01 -0.100000E-04 0.100000E-04    0.697945E+00
 112    0.754465E-02    0.885968E+01 -0.109000E-04 0.109000E-04    0.429093E-01
 113   -0.222916E-01    0.706749E+01  0.158841E-04 0.158841E-04    0.254257E+00
 114   -0.672480E+00    0.417574E+01 -0.400000E-03 0.400000E-03    0.632882E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1570712351    

 Beginning of optimization cycle  342.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3532718154
 potential> RMS force:                                               0.0631819133   |gradient|=.6745982322    
 Eigenvalues of the Hessian matrix:
   734.22165    673.69415    627.11866    604.04732    588.14019    572.01728 
   566.98197    483.25988    464.74060    461.21403    441.41240    429.57662 
   421.88542    408.06462    397.32589    388.81294    368.00023    361.63358 
   350.74491    335.94786    326.09783    321.43473    320.29038    312.35647 
   303.79325    288.70247    278.71857    270.80857    266.99464    264.31617 
   259.77764    253.92845    242.20918    238.41020    234.91271    228.45738 
   219.91337    213.86238    212.37811    207.29690    203.56617    197.42375 
   195.23190    191.50818    184.15510    174.95236    171.91632    167.56009 
   164.94404    158.87548    154.02439    151.40098    148.55600    143.29752 
   137.14280    135.84851    130.64901    128.10756    126.14214    125.53853 
   119.76177    118.07982    117.03811    110.95866    107.79023    104.72521 
   103.09125     99.76338     95.84902     94.72536     93.07430     90.54087 
    89.66161     85.02253     80.91141     79.83751     78.27874     72.80742 
    72.26878     68.27686     66.42056     63.15950     60.06380     59.72145 
    59.07204     56.04279     52.74639     52.29657     50.06244     47.49072 
    42.87485     40.41786     37.46871     36.20103     34.48074     28.80973 
    28.63900     27.40018     23.00602     21.30945     20.45496     16.80859 
    13.79488     12.24514      9.90912      8.85331      7.06060      4.17073 
overlap for current and previous eigenvector    109 is        -0.9999996782
overlap for current and previous eigenvector    110 is        -0.9999995342
overlap for current and previous eigenvector    111 is         0.9999987105
overlap for current and previous eigenvector    112 is         0.9999931317
overlap for current and previous eigenvector    113 is         0.9999942276
overlap for current and previous eigenvector    114 is         0.9999997283
J1,K1,R1,R2,RAT=   7   7   -0.7461251625E-02     2.007290103        0.9925387484    
FOB,PFOB,DIAG,PSTEP=   -0.4616255982E-05   -0.4582065115E-05     734.2216465        0.6241245102E-08
J1,K1,R1,R2,RAT=   8   8    0.1253333583E-02     1.998721125        0.9987211255    
FOB,PFOB,DIAG,PSTEP=   -0.4998770148E-05   -0.5005043217E-05     673.6941529        0.7429346259E-08
J1,K1,R1,R2,RAT=   9   9   -0.4147084862E-01     2.041432162        0.9585291514    
FOB,PFOB,DIAG,PSTEP=   -0.3071067748E-06   -0.2948777094E-06     627.1186636        0.4702194824E-09
J1,K1,R1,R2,RAT=  10  10   -0.1735343336E-01     2.017383122        0.9826465666    
FOB,PFOB,DIAG,PSTEP=    0.2098245362E-05    0.2062455214E-05     604.0473212       -0.3414342761E-08
J1,K1,R1,R2,RAT=  11  11   -0.4233983280E-02     2.004267344        0.9957660167    
FOB,PFOB,DIAG,PSTEP=   -0.1517060986E-05   -0.1510664963E-05     588.1401933        0.2568502853E-08
J1,K1,R1,R2,RAT= 109 109     2.000366713       -0.4288439165E-03    0.9995711561    
FOB,PFOB,DIAG,PSTEP=   -0.7156010629E-04    0.7152943037E-04     13.79487665       -0.5185378191E-05
J1,K1,R1,R2,RAT= 110 110     115.5641218       -0.5642859936        0.4357140064    
FOB,PFOB,DIAG,PSTEP=   -0.7110040155E-02    0.7040942573E-02     12.24513500       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3008609283         64.95240851        0.6991390717    
FOB,PFOB,DIAG,PSTEP=    0.3203199223E-02    0.3233011889E-02     9.909118476       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7829755932         157.1469550        0.2170244068    
FOB,PFOB,DIAG,PSTEP=    0.7620204282E-02    0.7544646293E-02     8.853309917       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.9157989068         398.4427962        0.8420109323E-01
FOB,PFOB,DIAG,PSTEP=   -0.2239427137E-01   -0.2229156343E-01     7.060595162        0.1588409901E-04
J1,K1,R1,R2,RAT= 114 114    0.9936932548        -807.1844311        0.6306745210E-02
FOB,PFOB,DIAG,PSTEP=   -0.6741381695       -0.6724803999         4.170727647       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001     -0.00002      0.00000     -0.00002 
     0.00003     -0.00003      0.00002     -0.00003      0.00002     -0.00002 
     0.00001     -0.00001     -0.00001      0.00003      0.00001     -0.00006 
    -0.00003     -0.00003      0.00008      0.00000      0.00006     -0.00000 
    -0.00001      0.00002      0.00002     -0.00000     -0.00002      0.00004 
     0.00004      0.00001      0.00004      0.00001      0.00005     -0.00004 
     0.00001     -0.00006      0.00003      0.00005     -0.00002      0.00001 
    -0.00004      0.00005     -0.00012     -0.00010     -0.00002     -0.00010 
     0.00002     -0.00009     -0.00006     -0.00002     -0.00011      0.00000 
    -0.00007     -0.00711      0.00320      0.00762     -0.02239     -0.67414 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4239301599
 Log product of positive Hessian eigenvalues =          519.7699655183
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1707276473
 Unscaled step for mode    7=        0.0000000063
 Unscaled step for mode    8=        0.0000000074
 Unscaled step for mode    9=        0.0000000005
 Unscaled step for mode   10=       -0.0000000035
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000045
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000023
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000136
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000396
 Unscaled step for mode   20=       -0.0000000179
 Unscaled step for mode   21=       -0.0000000177
 Unscaled step for mode   22=        0.0000000199
 Unscaled step for mode   23=       -0.0000000016
 Unscaled step for mode   24=        0.0000000059
 Unscaled step for mode   25=        0.0000000583
 Unscaled step for mode   26=        0.0000000991
 Unscaled step for mode   27=        0.0000000514
 Unscaled step for mode   28=       -0.0000000446
 Unscaled step for mode   29=       -0.0000000368
 Unscaled step for mode   30=        0.0000000798
 Unscaled step for mode   31=        0.0000000509
 Unscaled step for mode   32=        0.0000000230
 Unscaled step for mode   33=       -0.0000000439
 Unscaled step for mode   34=       -0.0000000412
 Unscaled step for mode   35=       -0.0000000899
 Unscaled step for mode   36=       -0.0000000687
 Unscaled step for mode   37=        0.0000000715
 Unscaled step for mode   38=        0.0000000016
 Unscaled step for mode   39=        0.0000000810
 Unscaled step for mode   40=        0.0000000532
 Unscaled step for mode   41=        0.0000001683
 Unscaled step for mode   42=        0.0000000548
 Unscaled step for mode   43=        0.0000000676
 Unscaled step for mode   44=        0.0000001224
 Unscaled step for mode   45=       -0.0000000040
 Unscaled step for mode   46=       -0.0000001218
 Unscaled step for mode   47=        0.0000001466
 Unscaled step for mode   48=       -0.0000000261
 Unscaled step for mode   49=        0.0000001296
 Unscaled step for mode   50=       -0.0000000494
 Unscaled step for mode   51=        0.0000000889
 Unscaled step for mode   52=        0.0000000209
 Unscaled step for mode   53=        0.0000000768
 Unscaled step for mode   54=        0.0000001078
 Unscaled step for mode   55=       -0.0000001239
 Unscaled step for mode   56=       -0.0000000371
 Unscaled step for mode   57=       -0.0000000696
 Unscaled step for mode   58=        0.0000001609
 Unscaled step for mode   59=       -0.0000000115
 Unscaled step for mode   60=        0.0000001582
 Unscaled step for mode   61=       -0.0000002084
 Unscaled step for mode   62=        0.0000002159
 Unscaled step for mode   63=       -0.0000001754
 Unscaled step for mode   64=        0.0000002141
 Unscaled step for mode   65=       -0.0000001572
 Unscaled step for mode   66=        0.0000001580
 Unscaled step for mode   67=       -0.0000000638
 Unscaled step for mode   68=        0.0000000787
 Unscaled step for mode   69=        0.0000000514
 Unscaled step for mode   70=       -0.0000002399
 Unscaled step for mode   71=       -0.0000000543
 Unscaled step for mode   72=        0.0000005733
 Unscaled step for mode   73=        0.0000002738
 Unscaled step for mode   74=        0.0000002849
 Unscaled step for mode   75=       -0.0000007861
 Unscaled step for mode   76=       -0.0000000111
 Unscaled step for mode   77=       -0.0000006098
 Unscaled step for mode   78=        0.0000000442
 Unscaled step for mode   79=        0.0000001041
 Unscaled step for mode   80=       -0.0000002585
 Unscaled step for mode   81=       -0.0000002781
 Unscaled step for mode   82=        0.0000000472
 Unscaled step for mode   83=        0.0000002044
 Unscaled step for mode   84=       -0.0000005764
 Unscaled step for mode   85=       -0.0000006002
 Unscaled step for mode   86=       -0.0000000837
 Unscaled step for mode   87=       -0.0000006552
 Unscaled step for mode   88=       -0.0000000928
 Unscaled step for mode   89=       -0.0000007842
 Unscaled step for mode   90=        0.0000007499
 Unscaled step for mode   91=       -0.0000001366
 Unscaled step for mode   92=        0.0000011043
 Unscaled step for mode   93=       -0.0000004882
 Unscaled step for mode   94=       -0.0000009369
 Unscaled step for mode   95=        0.0000004384
 Unscaled step for mode   96=       -0.0000001276
 Unscaled step for mode   97=        0.0000009971
 Unscaled step for mode   98=       -0.0000011175
 Unscaled step for mode   99=        0.0000033101
 Unscaled step for mode  100=        0.0000026807
 Unscaled step for mode  101=        0.0000006490
 Unscaled step for mode  102=        0.0000034966
 Unscaled step for mode  103=       -0.0000008040
 Unscaled step for mode  104=        0.0000033206
 Unscaled step for mode  105=        0.0000025858
 Unscaled step for mode  106=        0.0000008476
 Unscaled step for mode  107=        0.0000052599
 Unscaled step for mode  108=       -0.0000001020
 Unscaled step for mode  109=        0.0000051874
 Unscaled step for mode  110=        0.0005806418
 Unscaled step for mode  111=       -0.0003232577
 Unscaled step for mode  112=       -0.0008607175
 Unscaled step for mode  113=        0.0031716938
 Unscaled step for mode  114=       -0.1576199420
 Largest modulus ratio of non-zero e/values=           176.0416188    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.180628E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.569098E-15    0.100708E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.589372E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.236139E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.126794E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.126391E-15    0.973918E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.461626E-05    0.734222E+03  0.628728E-08 0.100000E-04    0.992539E+00
   8   -0.499877E-05    0.673694E+03  0.741994E-08 0.100000E-04    0.998721E+00
   9   -0.307107E-06    0.627119E+03  0.489711E-09 0.100000E-04    0.958529E+00
  10    0.209825E-05    0.604047E+03 -0.347364E-08 0.100000E-04    0.982647E+00
  11   -0.151706E-05    0.588140E+03  0.257942E-08 0.100000E-04    0.995766E+00
  12   -0.258707E-05    0.572017E+03  0.452271E-08 0.100000E-04    0.994001E+00
  13   -0.356743E-05    0.566982E+03  0.629196E-08 0.100000E-04    0.993981E+00
  14   -0.111227E-05    0.483260E+03  0.230160E-08 0.100000E-04    0.978278E+00
  15    0.185481E-05    0.464741E+03 -0.399105E-08 0.100000E-04    0.990470E+00
  16    0.626175E-05    0.461214E+03 -0.135767E-07 0.100000E-04    0.994435E+00
  17    0.453375E-05    0.441412E+03 -0.102710E-07 0.100000E-04    0.992845E+00
  18    0.503275E-05    0.429577E+03 -0.117156E-07 0.100000E-04    0.998600E+00
  19   -0.166987E-04    0.421885E+03  0.395812E-07 0.100000E-04    0.996586E+00
  20    0.731904E-05    0.408065E+03 -0.179360E-07 0.100000E-04    0.999246E+00
  21    0.701334E-05    0.397326E+03 -0.176514E-07 0.100000E-04    0.999627E+00
  22   -0.773464E-05    0.388813E+03  0.198930E-07 0.100000E-04    0.992957E+00
  23    0.578277E-06    0.368000E+03 -0.157140E-08 0.100000E-04    0.976173E+00
  24   -0.214040E-05    0.361634E+03  0.591870E-08 0.100000E-04    0.981673E+00
  25   -0.204619E-04    0.350745E+03  0.583383E-07 0.100000E-04    0.997873E+00
  26   -0.333017E-04    0.335948E+03  0.991274E-07 0.100000E-04    0.997633E+00
  27   -0.167514E-04    0.326098E+03  0.513694E-07 0.100000E-04    0.999015E+00
  28    0.143203E-04    0.321435E+03 -0.445512E-07 0.100000E-04    0.996259E+00
  29    0.117788E-04    0.320290E+03 -0.367753E-07 0.100000E-04    0.980710E+00
  30   -0.249209E-04    0.312356E+03  0.797834E-07 0.100000E-04    0.998554E+00
  31   -0.154711E-04    0.303793E+03  0.509263E-07 0.100000E-04    0.997002E+00
  32   -0.664275E-05    0.288702E+03  0.230090E-07 0.100000E-04    0.992712E+00
  33    0.122311E-04    0.278719E+03 -0.438834E-07 0.100000E-04    0.993453E+00
  34    0.111567E-04    0.270809E+03 -0.411976E-07 0.100000E-04    0.991415E+00
  35    0.239928E-04    0.266995E+03 -0.898625E-07 0.100000E-04    0.998901E+00
  36    0.181661E-04    0.264316E+03 -0.687288E-07 0.100000E-04    0.996794E+00
  37   -0.185797E-04    0.259778E+03  0.715217E-07 0.100000E-04    0.997007E+00
  38   -0.408004E-06    0.253928E+03  0.160677E-08 0.100000E-04    0.883263E+00
  39   -0.196297E-04    0.242209E+03  0.810443E-07 0.100000E-04    0.997381E+00
  40   -0.126849E-04    0.238410E+03  0.532063E-07 0.100000E-04    0.984479E+00
  41   -0.395434E-04    0.234913E+03  0.168332E-06 0.100000E-04    0.997527E+00
  42   -0.125176E-04    0.228457E+03  0.547920E-07 0.100000E-04    0.996136E+00
  43   -0.148714E-04    0.219913E+03  0.676241E-07 0.100000E-04    0.997359E+00
  44   -0.261771E-04    0.213862E+03  0.122402E-06 0.100000E-04    0.996575E+00
  45    0.843406E-06    0.212378E+03 -0.397125E-08 0.100000E-04    0.902829E+00
  46    0.252523E-04    0.207297E+03 -0.121817E-06 0.100000E-04    0.996221E+00
  47   -0.298517E-04    0.203566E+03  0.146644E-06 0.100000E-04    0.998940E+00
  48    0.515020E-05    0.197424E+03 -0.260870E-07 0.100000E-04    0.992281E+00
  49   -0.253100E-04    0.195232E+03  0.129640E-06 0.100000E-04    0.999270E+00
  50    0.946436E-05    0.191508E+03 -0.494201E-07 0.100000E-04    0.986507E+00
  51   -0.163673E-04    0.184155E+03  0.888775E-07 0.100000E-04    0.999938E+00
  52   -0.365153E-05    0.174952E+03  0.208715E-07 0.100000E-04    0.995010E+00
  53   -0.131965E-04    0.171916E+03  0.767613E-07 0.100000E-04    0.996851E+00
  54   -0.180569E-04    0.167560E+03  0.107764E-06 0.100000E-04    0.997681E+00
  55    0.204309E-04    0.164944E+03 -0.123865E-06 0.100000E-04    0.999219E+00
  56    0.589952E-05    0.158875E+03 -0.371330E-07 0.100000E-04    0.993214E+00
  57    0.107198E-04    0.154024E+03 -0.695984E-07 0.100000E-04    0.993858E+00
  58   -0.243639E-04    0.151401E+03  0.160923E-06 0.100000E-04    0.998117E+00
  59    0.171476E-05    0.148556E+03 -0.115428E-07 0.100000E-04    0.941732E+00
  60   -0.226750E-04    0.143298E+03  0.158237E-06 0.100000E-04    0.999263E+00
  61    0.285769E-04    0.137143E+03 -0.208373E-06 0.100000E-04    0.992420E+00
  62   -0.293315E-04    0.135849E+03  0.215913E-06 0.100000E-04    0.999319E+00
  63    0.229196E-04    0.130649E+03 -0.175429E-06 0.100000E-04    0.995888E+00
  64   -0.274272E-04    0.128108E+03  0.214095E-06 0.100000E-04    0.994768E+00
  65    0.198330E-04    0.126142E+03 -0.157228E-06 0.100000E-04    0.989176E+00
  66   -0.198313E-04    0.125539E+03  0.157970E-06 0.100000E-04    0.996251E+00
  67    0.764530E-05    0.119762E+03 -0.638376E-07 0.100000E-04    0.999037E+00
  68   -0.928713E-05    0.118080E+03  0.786513E-07 0.100000E-04    0.998016E+00
  69   -0.601355E-05    0.117038E+03  0.513811E-07 0.100000E-04    0.988853E+00
  70    0.266171E-04    0.110959E+03 -0.239883E-06 0.100000E-04    0.999326E+00
  71    0.585506E-05    0.107790E+03 -0.543190E-07 0.100000E-04    0.996690E+00
  72   -0.600343E-04    0.104725E+03  0.573255E-06 0.100000E-04    0.994509E+00
  73   -0.282282E-04    0.103091E+03  0.273817E-06 0.100000E-04    0.997965E+00
  74   -0.284229E-04    0.997634E+02  0.284903E-06 0.100000E-04    0.998472E+00
  75    0.753510E-04    0.958490E+02 -0.786142E-06 0.100000E-04    0.996960E+00
  76    0.105477E-05    0.947254E+02 -0.111350E-07 0.100000E-04    0.380830E+00
  77    0.567539E-04    0.930743E+02 -0.609770E-06 0.100000E-04    0.996755E+00
  78   -0.399775E-05    0.905409E+02  0.441541E-07 0.100000E-04    0.993185E+00
  79   -0.933323E-05    0.896616E+02  0.104094E-06 0.100000E-04    0.997311E+00
  80    0.219783E-04    0.850225E+02 -0.258500E-06 0.100000E-04    0.998797E+00
  81    0.224985E-04    0.809114E+02 -0.278064E-06 0.100000E-04    0.997095E+00
  82   -0.377035E-05    0.798375E+02  0.472252E-07 0.100000E-04    0.983148E+00
  83   -0.159976E-04    0.782787E+02  0.204367E-06 0.100000E-04    0.993796E+00
  84    0.419687E-04    0.728074E+02 -0.576435E-06 0.100000E-04    0.992878E+00
  85    0.433778E-04    0.722688E+02 -0.600229E-06 0.100000E-04    0.996915E+00
  86    0.571467E-05    0.682769E+02 -0.836985E-07 0.100000E-04    0.963646E+00
  87    0.435203E-04    0.664206E+02 -0.655224E-06 0.100000E-04    0.998930E+00
  88    0.586324E-05    0.631595E+02 -0.928323E-07 0.100000E-04    0.984229E+00
  89    0.470995E-04    0.600638E+02 -0.784158E-06 0.100000E-04    0.989730E+00
  90   -0.447872E-04    0.597214E+02  0.749935E-06 0.100000E-04    0.980783E+00
  91    0.807025E-05    0.590720E+02 -0.136617E-06 0.100000E-04    0.961980E+00
  92   -0.618865E-04    0.560428E+02  0.110427E-05 0.100000E-04    0.998433E+00
  93    0.257497E-04    0.527464E+02 -0.488180E-06 0.100000E-04    0.995589E+00
  94    0.489942E-04    0.522966E+02 -0.936853E-06 0.100000E-04    0.994695E+00
  95   -0.219472E-04    0.500624E+02  0.438397E-06 0.100000E-04    0.996491E+00
  96    0.606175E-05    0.474907E+02 -0.127641E-06 0.100000E-04    0.969546E+00
  97   -0.427492E-04    0.428748E+02  0.997070E-06 0.100000E-04    0.992716E+00
  98    0.451684E-04    0.404179E+02 -0.111754E-05 0.100000E-04    0.994637E+00
  99   -0.124024E-03    0.374687E+02  0.331006E-05 0.100000E-04    0.996428E+00
 100   -0.970431E-04    0.362010E+02  0.268067E-05 0.100000E-04    0.997150E+00
 101   -0.223776E-04    0.344807E+02  0.648987E-06 0.100000E-04    0.978483E+00
 102   -0.100736E-03    0.288097E+02  0.349660E-05 0.100000E-04    0.996638E+00
 103    0.230255E-04    0.286390E+02 -0.803990E-06 0.100000E-04    0.985438E+00
 104   -0.909842E-04    0.274002E+02  0.332057E-05 0.100000E-04    0.989744E+00
 105   -0.594879E-04    0.230060E+02  0.258576E-05 0.100000E-04    0.998110E+00
 106   -0.180614E-04    0.213095E+02  0.847577E-06 0.100000E-04    0.921465E+00
 107   -0.107591E-03    0.204550E+02  0.525991E-05 0.100000E-04    0.992275E+00
 108    0.171441E-05    0.168086E+02 -0.101996E-06 0.109000E-04    0.172159E+00
 109   -0.715601E-04    0.137949E+02  0.518744E-05 0.100000E-04    0.999571E+00
 110   -0.711004E-02    0.122451E+02  0.100000E-04 0.100000E-04    0.435714E+00
 111    0.320320E-02    0.990912E+01 -0.100000E-04 0.100000E-04    0.699139E+00
 112    0.762020E-02    0.885331E+01 -0.100000E-04 0.100000E-04    0.217024E+00
 113   -0.223943E-01    0.706060E+01  0.173137E-04 0.173137E-04    0.842011E-01
 114   -0.674138E+00    0.417073E+01 -0.400000E-03 0.400000E-03    0.630675E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1576199420    

 Beginning of optimization cycle  343.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3530023927
 potential> RMS force:                                               0.0633373124   |gradient|=.6762574404    
 Eigenvalues of the Hessian matrix:
   734.28451    673.70258    627.13075    604.03846    588.13027    572.06034 
   566.98669    483.28565    464.71735    461.20749    441.41415    429.56926 
   421.88925    408.07202    397.32085    388.81147    368.00802    361.62499 
   350.73769    335.93096    326.11135    321.43398    320.29231    312.33358 
   303.78047    288.71183    278.71359    270.81290    267.00339    264.32286 
   259.79305    253.92952    242.20492    238.42280    234.90014    228.45295 
   219.89253    213.87009    212.38443    207.29238    203.56705    197.41659 
   195.22847    191.50663    184.14513    174.94175    171.92180    167.56109 
   164.93651    158.86476    154.02952    151.40664    148.54748    143.29978 
   137.14569    135.85096    130.64741    128.11215    126.14510    125.53550 
   119.76354    118.08065    117.03950    110.95293    107.78234    104.72229 
   103.09149     99.76217     95.84506     94.71546     93.08651     90.54485 
    89.65665     85.02544     80.91116     79.83979     78.27753     72.80937 
    72.27349     68.27624     66.40815     63.15529     60.05705     59.72049 
    59.07209     56.04316     52.74324     52.29732     50.06134     47.48594 
    42.87428     40.42042     37.47294     36.20392     34.46868     28.80931 
    28.63773     27.39210     23.00789     21.30301     20.45941     16.80804 
    13.79530     12.24491      9.91058      8.84697      7.05364      4.16570 
overlap for current and previous eigenvector    109 is         0.9999996775
overlap for current and previous eigenvector    110 is        -0.9999995340
overlap for current and previous eigenvector    111 is        -0.9999987394
overlap for current and previous eigenvector    112 is         0.9999931665
overlap for current and previous eigenvector    113 is        -0.9999942317
overlap for current and previous eigenvector    114 is         0.9999997282
J1,K1,R1,R2,RAT=   7   7   -0.6043316778E-02     2.005872106        0.9939566832    
FOB,PFOB,DIAG,PSTEP=   -0.4644155867E-05   -0.4616255982E-05     734.2845053        0.6287278512E-08
J1,K1,R1,R2,RAT=   8   8   -0.8251546642E-02     2.008226529        0.9917484534    
FOB,PFOB,DIAG,PSTEP=   -0.5040018249E-05   -0.4998770148E-05     673.7025802        0.7419939933E-08
J1,K1,R1,R2,RAT=   9   9   -0.2780927142E-01     2.027770722        0.9721907286    
FOB,PFOB,DIAG,PSTEP=   -0.3156473551E-06   -0.3071067748E-06     627.1307513        0.4897107878E-09
J1,K1,R1,R2,RAT=  10  10    0.8593134570E-02     1.991436212        0.9914068654    
FOB,PFOB,DIAG,PSTEP=    0.2080215122E-05    0.2098245362E-05     604.0384580       -0.3473644014E-08
J1,K1,R1,R2,RAT=  11  11   -0.5450781231E-02     2.005484524        0.9945492188    
FOB,PFOB,DIAG,PSTEP=   -0.1525330014E-05   -0.1517060986E-05     588.1302707        0.2579420695E-08
J1,K1,R1,R2,RAT= 109 109    0.3957899928E-02     1.995980055        0.9959800546    
FOB,PFOB,DIAG,PSTEP=   -0.7127686976E-04   -0.7156010629E-04     13.79530462        0.5187440824E-05
J1,K1,R1,R2,RAT= 110 110     116.6878712       -0.5573334081        0.4426665919    
FOB,PFOB,DIAG,PSTEP=    0.7178285131E-02   -0.7110040155E-02     12.24491041        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     64.33634152        0.3056828815        0.6943171185    
FOB,PFOB,DIAG,PSTEP=   -0.3172904282E-02    0.3203199223E-02     9.910578305       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9560967933         173.2230004        0.4390320671E-01
FOB,PFOB,DIAG,PSTEP=    0.7704789918E-02    0.7620204282E-02     8.846974226       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     367.5273427       -0.7818713377        0.2181286623    
FOB,PFOB,DIAG,PSTEP=    0.2248975688E-01   -0.2239427137E-01     7.053636725        0.1731366792E-04
J1,K1,R1,R2,RAT= 114 114    0.9936085657        -810.1475391        0.6391434252E-02
FOB,PFOB,DIAG,PSTEP=   -0.6757937987       -0.6741381695         4.165697922       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00001     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001      0.00002 
    -0.00002      0.00001     -0.00001     -0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003      0.00002      0.00002 
     0.00001     -0.00001      0.00001      0.00003     -0.00001     -0.00006 
    -0.00003     -0.00003      0.00008      0.00000     -0.00006     -0.00000 
    -0.00001      0.00002     -0.00002      0.00000      0.00002      0.00004 
    -0.00004     -0.00001      0.00004      0.00001      0.00005      0.00005 
    -0.00001     -0.00006      0.00003      0.00005     -0.00002     -0.00001 
     0.00004      0.00005     -0.00012      0.00010     -0.00002      0.00010 
    -0.00002     -0.00009     -0.00006      0.00002      0.00011      0.00000 
    -0.00007      0.00718     -0.00317      0.00770      0.02249     -0.67579 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4237709763
 Log product of positive Hessian eigenvalues =          519.7660701392
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1656979222
 Unscaled step for mode    7=        0.0000000063
 Unscaled step for mode    8=        0.0000000075
 Unscaled step for mode    9=        0.0000000005
 Unscaled step for mode   10=       -0.0000000034
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000046
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000022
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000136
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000396
 Unscaled step for mode   20=       -0.0000000179
 Unscaled step for mode   21=       -0.0000000176
 Unscaled step for mode   22=        0.0000000200
 Unscaled step for mode   23=       -0.0000000016
 Unscaled step for mode   24=        0.0000000060
 Unscaled step for mode   25=        0.0000000585
 Unscaled step for mode   26=        0.0000000993
 Unscaled step for mode   27=        0.0000000515
 Unscaled step for mode   28=       -0.0000000447
 Unscaled step for mode   29=       -0.0000000373
 Unscaled step for mode   30=        0.0000000799
 Unscaled step for mode   31=        0.0000000513
 Unscaled step for mode   32=        0.0000000231
 Unscaled step for mode   33=       -0.0000000439
 Unscaled step for mode   34=       -0.0000000414
 Unscaled step for mode   35=       -0.0000000900
 Unscaled step for mode   36=       -0.0000000690
 Unscaled step for mode   37=        0.0000000717
 Unscaled step for mode   38=        0.0000000014
 Unscaled step for mode   39=        0.0000000811
 Unscaled step for mode   40=        0.0000000539
 Unscaled step for mode   41=        0.0000001688
 Unscaled step for mode   42=        0.0000000551
 Unscaled step for mode   43=        0.0000000681
 Unscaled step for mode   44=        0.0000001231
 Unscaled step for mode   45=       -0.0000000037
 Unscaled step for mode   46=       -0.0000001224
 Unscaled step for mode   47=        0.0000001467
 Unscaled step for mode   48=       -0.0000000262
 Unscaled step for mode   49=        0.0000001302
 Unscaled step for mode   50=       -0.0000000489
 Unscaled step for mode   51=        0.0000000893
 Unscaled step for mode   52=        0.0000000212
 Unscaled step for mode   53=        0.0000000770
 Unscaled step for mode   54=       -0.0000001084
 Unscaled step for mode   55=        0.0000001240
 Unscaled step for mode   56=       -0.0000000368
 Unscaled step for mode   57=        0.0000000700
 Unscaled step for mode   58=        0.0000001612
 Unscaled step for mode   59=       -0.0000000117
 Unscaled step for mode   60=       -0.0000001588
 Unscaled step for mode   61=        0.0000002088
 Unscaled step for mode   62=       -0.0000002153
 Unscaled step for mode   63=        0.0000001748
 Unscaled step for mode   64=        0.0000002153
 Unscaled step for mode   65=       -0.0000001581
 Unscaled step for mode   66=       -0.0000001566
 Unscaled step for mode   67=       -0.0000000645
 Unscaled step for mode   68=        0.0000000787
 Unscaled step for mode   69=       -0.0000000514
 Unscaled step for mode   70=       -0.0000002412
 Unscaled step for mode   71=        0.0000000545
 Unscaled step for mode   72=        0.0000005746
 Unscaled step for mode   73=        0.0000002745
 Unscaled step for mode   74=        0.0000002839
 Unscaled step for mode   75=       -0.0000007887
 Unscaled step for mode   76=       -0.0000000168
 Unscaled step for mode   77=        0.0000006077
 Unscaled step for mode   78=        0.0000000469
 Unscaled step for mode   79=        0.0000001029
 Unscaled step for mode   80=       -0.0000002592
 Unscaled step for mode   81=        0.0000002786
 Unscaled step for mode   82=       -0.0000000499
 Unscaled step for mode   83=       -0.0000002058
 Unscaled step for mode   84=       -0.0000005776
 Unscaled step for mode   85=        0.0000005979
 Unscaled step for mode   86=        0.0000000868
 Unscaled step for mode   87=       -0.0000006561
 Unscaled step for mode   88=       -0.0000000935
 Unscaled step for mode   89=       -0.0000007770
 Unscaled step for mode   90=       -0.0000007588
 Unscaled step for mode   91=        0.0000001400
 Unscaled step for mode   92=        0.0000011067
 Unscaled step for mode   93=       -0.0000004823
 Unscaled step for mode   94=       -0.0000009375
 Unscaled step for mode   95=        0.0000004326
 Unscaled step for mode   96=        0.0000001267
 Unscaled step for mode   97=       -0.0000009944
 Unscaled step for mode   98=       -0.0000011203
 Unscaled step for mode   99=        0.0000033062
 Unscaled step for mode  100=       -0.0000026763
 Unscaled step for mode  101=        0.0000006481
 Unscaled step for mode  102=       -0.0000034944
 Unscaled step for mode  103=        0.0000008170
 Unscaled step for mode  104=        0.0000033210
 Unscaled step for mode  105=        0.0000025976
 Unscaled step for mode  106=       -0.0000008243
 Unscaled step for mode  107=       -0.0000052673
 Unscaled step for mode  108=       -0.0000001048
 Unscaled step for mode  109=        0.0000051667
 Unscaled step for mode  110=       -0.0005862258
 Unscaled step for mode  111=        0.0003201533
 Unscaled step for mode  112=       -0.0008708948
 Unscaled step for mode  113=       -0.0031883593
 Unscaled step for mode  114=       -0.1581696618
 Largest modulus ratio of non-zero e/values=           176.2692636    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.194072E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.188163E-14    0.100708E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.233709E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.338271E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.963639E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.404570E-15    0.973920E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.464416E-05    0.734285E+03  0.632474E-08 0.100000E-04    0.993957E+00
   8   -0.504002E-05    0.673703E+03  0.748107E-08 0.100000E-04    0.991748E+00
   9   -0.315647E-06    0.627131E+03  0.503320E-09 0.100000E-04    0.972191E+00
  10    0.208022E-05    0.604038E+03 -0.344385E-08 0.100000E-04    0.991407E+00
  11   -0.152533E-05    0.588130E+03  0.259352E-08 0.100000E-04    0.994549E+00
  12   -0.264213E-05    0.572060E+03  0.461862E-08 0.100000E-04    0.978719E+00
  13   -0.359349E-05    0.566987E+03  0.633788E-08 0.100000E-04    0.992694E+00
  14   -0.105918E-05    0.483286E+03  0.219163E-08 0.100000E-04    0.952166E+00
  15    0.187736E-05    0.464717E+03 -0.403979E-08 0.100000E-04    0.987839E+00
  16    0.627244E-05    0.461207E+03 -0.136000E-07 0.100000E-04    0.998293E+00
  17    0.452450E-05    0.441414E+03 -0.102500E-07 0.100000E-04    0.997951E+00
  18    0.504655E-05    0.429569E+03 -0.117479E-07 0.100000E-04    0.997258E+00
  19   -0.167269E-04    0.421889E+03  0.396476E-07 0.100000E-04    0.998312E+00
  20    0.728686E-05    0.408072E+03 -0.178568E-07 0.100000E-04    0.995567E+00
  21    0.699512E-05    0.397321E+03 -0.176057E-07 0.100000E-04    0.997402E+00
  22   -0.775945E-05    0.388811E+03  0.199568E-07 0.100000E-04    0.996793E+00
  23    0.604163E-06    0.368008E+03 -0.164171E-08 0.100000E-04    0.955236E+00
  24   -0.216707E-05    0.361625E+03  0.599260E-08 0.100000E-04    0.987538E+00
  25   -0.205158E-04    0.350738E+03  0.584933E-07 0.100000E-04    0.997364E+00
  26   -0.333429E-04    0.335931E+03  0.992551E-07 0.100000E-04    0.998762E+00
  27   -0.167899E-04    0.326111E+03  0.514851E-07 0.100000E-04    0.997706E+00
  28    0.143551E-04    0.321434E+03 -0.446595E-07 0.100000E-04    0.997572E+00
  29    0.119468E-04    0.320292E+03 -0.372996E-07 0.100000E-04    0.985736E+00
  30   -0.249563E-04    0.312334E+03  0.799026E-07 0.100000E-04    0.998580E+00
  31   -0.155872E-04    0.303780E+03  0.513107E-07 0.100000E-04    0.992494E+00
  32   -0.666054E-05    0.288712E+03  0.230699E-07 0.100000E-04    0.997322E+00
  33    0.122333E-04    0.278714E+03 -0.438919E-07 0.100000E-04    0.999823E+00
  34    0.112039E-04    0.270813E+03 -0.413712E-07 0.100000E-04    0.995769E+00
  35    0.240279E-04    0.267003E+03 -0.899909E-07 0.100000E-04    0.998538E+00
  36    0.182338E-04    0.264323E+03 -0.689830E-07 0.100000E-04    0.996277E+00
  37   -0.186303E-04    0.259793E+03  0.717122E-07 0.100000E-04    0.997277E+00
  38   -0.363510E-06    0.253930E+03  0.143154E-08 0.100000E-04    0.890940E+00
  39   -0.196546E-04    0.242205E+03  0.811485E-07 0.100000E-04    0.998732E+00
  40   -0.128467E-04    0.238423E+03  0.538819E-07 0.100000E-04    0.987250E+00
  41   -0.396603E-04    0.234900E+03  0.168839E-06 0.100000E-04    0.997044E+00
  42   -0.125898E-04    0.228453E+03  0.551088E-07 0.100000E-04    0.994237E+00
  43   -0.149812E-04    0.219893E+03  0.681295E-07 0.100000E-04    0.992620E+00
  44   -0.263304E-04    0.213870E+03  0.123114E-06 0.100000E-04    0.994144E+00
  45    0.793615E-06    0.212384E+03 -0.373669E-08 0.100000E-04    0.940906E+00
  46    0.253698E-04    0.207292E+03 -0.122387E-06 0.100000E-04    0.995345E+00
  47   -0.298676E-04    0.203567E+03  0.146721E-06 0.100000E-04    0.999466E+00
  48    0.517972E-05    0.197417E+03 -0.262375E-07 0.100000E-04    0.994267E+00
  49   -0.254278E-04    0.195228E+03  0.130246E-06 0.100000E-04    0.995343E+00
  50    0.936715E-05    0.191507E+03 -0.489129E-07 0.100000E-04    0.989729E+00
  51   -0.164462E-04    0.184145E+03  0.893110E-07 0.100000E-04    0.995177E+00
  52   -0.370128E-05    0.174942E+03  0.211572E-07 0.100000E-04    0.986374E+00
  53   -0.132334E-04    0.171922E+03  0.769735E-07 0.100000E-04    0.997204E+00
  54    0.181680E-04    0.167561E+03 -0.108426E-06 0.100000E-04    0.993849E+00
  55   -0.204512E-04    0.164937E+03  0.123995E-06 0.100000E-04    0.999003E+00
  56    0.585415E-05    0.158865E+03 -0.368499E-07 0.100000E-04    0.992310E+00
  57   -0.107812E-04    0.154030E+03  0.699945E-07 0.100000E-04    0.994275E+00
  58   -0.244074E-04    0.151407E+03  0.161204E-06 0.100000E-04    0.998215E+00
  59    0.173266E-05    0.148547E+03 -0.116640E-07 0.100000E-04    0.989557E+00
  60    0.227538E-04    0.143300E+03 -0.158784E-06 0.100000E-04    0.996528E+00
  61   -0.286356E-04    0.137146E+03  0.208797E-06 0.100000E-04    0.997945E+00
  62    0.292502E-04    0.135851E+03 -0.215311E-06 0.100000E-04    0.997192E+00
  63   -0.228329E-04    0.130647E+03  0.174767E-06 0.100000E-04    0.996216E+00
  64   -0.275840E-04    0.128112E+03  0.215311E-06 0.100000E-04    0.994285E+00
  65    0.199455E-04    0.126145E+03 -0.158116E-06 0.100000E-04    0.994328E+00
  66    0.196577E-04    0.125536E+03 -0.156591E-06 0.100000E-04    0.991246E+00
  67    0.773015E-05    0.119764E+03 -0.645451E-07 0.100000E-04    0.988902E+00
  68   -0.928960E-05    0.118081E+03  0.786717E-07 0.100000E-04    0.999733E+00
  69    0.601122E-05    0.117040E+03 -0.513606E-07 0.100000E-04    0.999590E+00
  70    0.267611E-04    0.110953E+03 -0.241193E-06 0.100000E-04    0.994593E+00
  71   -0.587666E-05    0.107782E+03  0.545234E-07 0.100000E-04    0.996310E+00
  72   -0.601683E-04    0.104722E+03  0.574551E-06 0.100000E-04    0.997768E+00
  73   -0.282945E-04    0.103091E+03  0.274460E-06 0.100000E-04    0.997651E+00
  74   -0.283212E-04    0.997622E+02  0.283887E-06 0.100000E-04    0.996421E+00
  75    0.755927E-04    0.958451E+02 -0.788697E-06 0.100000E-04    0.996791E+00
  76    0.158778E-05    0.947155E+02 -0.167637E-07 0.100000E-04    0.494606E+00
  77   -0.565687E-04    0.930865E+02  0.607700E-06 0.100000E-04    0.996474E+00
  78   -0.424387E-05    0.905449E+02  0.468704E-07 0.100000E-04    0.938437E+00
  79   -0.922422E-05    0.896567E+02  0.102884E-06 0.100000E-04    0.988320E+00
  80    0.220397E-04    0.850254E+02 -0.259213E-06 0.100000E-04    0.997208E+00
  81   -0.225409E-04    0.809112E+02  0.278588E-06 0.100000E-04    0.998118E+00
  82    0.398240E-05    0.798398E+02 -0.498798E-07 0.100000E-04    0.943760E+00
  83    0.161113E-04    0.782775E+02 -0.205823E-06 0.100000E-04    0.992890E+00
  84    0.420512E-04    0.728094E+02 -0.577552E-06 0.100000E-04    0.998035E+00
  85   -0.432096E-04    0.722735E+02  0.597862E-06 0.100000E-04    0.995991E+00
  86   -0.592722E-05    0.682762E+02  0.868123E-07 0.100000E-04    0.962806E+00
  87    0.435731E-04    0.664082E+02 -0.656141E-06 0.100000E-04    0.998786E+00
  88    0.590700E-05    0.631553E+02 -0.935313E-07 0.100000E-04    0.992536E+00
  89    0.466616E-04    0.600570E+02 -0.776954E-06 0.100000E-04    0.990701E+00
  90    0.453162E-04    0.597205E+02 -0.758805E-06 0.100000E-04    0.988188E+00
  91   -0.826827E-05    0.590721E+02  0.139969E-06 0.100000E-04    0.975463E+00
  92   -0.620215E-04    0.560432E+02  0.110667E-05 0.100000E-04    0.997818E+00
  93    0.254370E-04    0.527432E+02 -0.482280E-06 0.100000E-04    0.987855E+00
  94    0.490289E-04    0.522973E+02 -0.937502E-06 0.100000E-04    0.999292E+00
  95   -0.216562E-04    0.500613E+02  0.432593E-06 0.100000E-04    0.986738E+00
  96   -0.601429E-05    0.474859E+02  0.126654E-06 0.100000E-04    0.992169E+00
  97    0.426326E-04    0.428743E+02 -0.994364E-06 0.100000E-04    0.997272E+00
  98    0.452846E-04    0.404204E+02 -0.112034E-05 0.100000E-04    0.997428E+00
  99   -0.123894E-03    0.374729E+02  0.330623E-05 0.100000E-04    0.998730E+00
 100    0.968937E-04    0.362039E+02 -0.267633E-05 0.100000E-04    0.998301E+00
 101   -0.223392E-04    0.344687E+02  0.648102E-06 0.100000E-04    0.998286E+00
 102    0.100670E-03    0.288093E+02 -0.349435E-05 0.100000E-04    0.999344E+00
 103   -0.233970E-04    0.286377E+02  0.816998E-06 0.100000E-04    0.983864E+00
 104   -0.909684E-04    0.273921E+02  0.332097E-05 0.100000E-04    0.999827E+00
 105   -0.597650E-04    0.230079E+02  0.259759E-05 0.100000E-04    0.995342E+00
 106    0.175592E-04    0.213030E+02 -0.824260E-06 0.100000E-04    0.972188E+00
 107    0.107767E-03    0.204594E+02 -0.526733E-05 0.100000E-04    0.998370E+00
 108    0.176181E-05    0.168080E+02 -0.104819E-06 0.100000E-04    0.972353E+00
 109   -0.712769E-04    0.137953E+02  0.516675E-05 0.100000E-04    0.995980E+00
 110    0.717829E-02    0.122449E+02 -0.100000E-04 0.100000E-04    0.442667E+00
 111   -0.317290E-02    0.991058E+01  0.100000E-04 0.100000E-04    0.694317E+00
 112    0.770479E-02    0.884697E+01 -0.109000E-04 0.109000E-04    0.439032E-01
 113    0.224898E-01    0.705364E+01 -0.155979E-04 0.155979E-04    0.218129E+00
 114   -0.675794E+00    0.416570E+01 -0.400000E-03 0.400000E-03    0.639143E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1581696618    

 Beginning of optimization cycle  344.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3527322794
 potential> RMS force:                                               0.0634925500   |gradient|=.6779149248    
 Eigenvalues of the Hessian matrix:
   734.34736    673.71117    627.14286    604.02931    588.12048    572.10320 
   566.99141    483.31151    464.69413    461.20094    441.41593    429.56176 
   421.89298    408.07937    397.31580    388.80992    368.01583    361.61640 
   350.73034    335.91412    326.12487    321.43329    320.29400    312.31079 
   303.76756    288.72119    278.70859    270.81725    267.01207    264.32946 
   259.80833    253.93050    242.20057    238.43535    234.88753    228.44841 
   219.87171    213.87773    212.39074    207.28793    203.56787    197.40939 
   195.22497    191.50509    184.13512    174.93120    171.92725    167.56207 
   164.92897    158.85405    154.03462    151.41232    148.53898    143.30209 
   137.14857    135.85335    130.64586    128.11670    126.14812    125.53246 
   119.76532    118.08151    117.04093    110.94723    107.77455    104.71942 
   103.09172     99.76099     95.84125     94.70543     93.09869     90.54881 
    89.65169     85.02834     80.91091     79.84202     78.27636     72.81138 
    72.27825     68.27571     66.39580     63.15104     60.05049     59.71943 
    59.07215     56.04356     52.74015     52.29808     50.06024     47.48118 
    42.87373     40.42299     37.47721     36.20692     34.45666     28.80890 
    28.63646     27.38404     23.00975     21.29657     20.46389     16.80749 
    13.79574     12.24469      9.91203      8.84070      7.04665      4.16066 
overlap for current and previous eigenvector    109 is         0.9999996819
overlap for current and previous eigenvector    110 is         0.9999995379
overlap for current and previous eigenvector    111 is        -0.9999987985
overlap for current and previous eigenvector    112 is        -0.9999932796
overlap for current and previous eigenvector    113 is        -0.9999942859
overlap for current and previous eigenvector    114 is        -0.9999997303
J1,K1,R1,R2,RAT=   7   7   -0.7392952049E-02     2.007221771        0.9926070480    
FOB,PFOB,DIAG,PSTEP=   -0.4678492828E-05   -0.4644155867E-05     734.3473583        0.6324736303E-08
J1,K1,R1,R2,RAT=   8   8    0.1190652340E-02     1.998783837        0.9987838369    
FOB,PFOB,DIAG,PSTEP=   -0.5034017263E-05   -0.5040018249E-05     673.7111736        0.7481073099E-08
J1,K1,R1,R2,RAT=   9   9   -0.3857687192E-01     2.038538250        0.9614231281    
FOB,PFOB,DIAG,PSTEP=   -0.3278242778E-06   -0.3156473551E-06     627.1428622        0.5033198490E-09
J1,K1,R1,R2,RAT=  10  10   -0.1715446577E-01     2.017184755        0.9828455342    
FOB,PFOB,DIAG,PSTEP=    0.2115899560E-05    0.2080215122E-05     604.0293102       -0.3443845493E-08
J1,K1,R1,R2,RAT=  11  11   -0.4258816098E-02     2.004292096        0.9957411839    
FOB,PFOB,DIAG,PSTEP=   -0.1531826006E-05   -0.1525330014E-05     588.1204843        0.2593524071E-08
J1,K1,R1,R2,RAT= 109 109   -0.4162749639E-03     2.000353478        0.9995837250    
FOB,PFOB,DIAG,PSTEP=   -0.7130654147E-04   -0.7127686976E-04     13.79573778        0.5166748523E-05
J1,K1,R1,R2,RAT= 110 110   -0.5686660809         117.8159959        0.4313339191    
FOB,PFOB,DIAG,PSTEP=    0.7247916521E-02    0.7178285131E-02     12.24468846       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     63.71677650        0.3044872784        0.6955127216    
FOB,PFOB,DIAG,PSTEP=    0.3142723403E-02   -0.3172904282E-02     9.912032642        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     160.6933076       -0.7825163395        0.2174836605    
FOB,PFOB,DIAG,PSTEP=   -0.7780196012E-02    0.7704789918E-02     8.840697428       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     410.1836224       -0.9551095793        0.4489042073E-01
FOB,PFOB,DIAG,PSTEP=   -0.2259473579E-01    0.2248975688E-01     7.046651056       -0.1559789903E-04
J1,K1,R1,R2,RAT= 114 114    -813.1178548        0.9936310819        0.6368918086E-02
FOB,PFOB,DIAG,PSTEP=    0.6774474613       -0.6757937987         4.160655347       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
    -0.00002      0.00001     -0.00001      0.00002     -0.00000      0.00002 
    -0.00003     -0.00003     -0.00002      0.00003      0.00002      0.00002 
     0.00001     -0.00001      0.00001      0.00003     -0.00001     -0.00006 
    -0.00003     -0.00003      0.00008      0.00000      0.00006      0.00000 
    -0.00001      0.00002     -0.00002      0.00000      0.00002      0.00004 
    -0.00004     -0.00001      0.00004      0.00001      0.00005     -0.00005 
     0.00001     -0.00006      0.00003     -0.00005      0.00002     -0.00001 
     0.00004     -0.00005     -0.00012      0.00010      0.00002     -0.00010 
     0.00002     -0.00009      0.00006     -0.00002      0.00011      0.00000 
    -0.00007      0.00725      0.00314     -0.00778     -0.02259      0.67745 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4236062067
 Log product of positive Hessian eigenvalues =          519.7621818219
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1606553469
 Unscaled step for mode    7=        0.0000000064
 Unscaled step for mode    8=        0.0000000075
 Unscaled step for mode    9=        0.0000000005
 Unscaled step for mode   10=       -0.0000000035
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000046
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000021
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000137
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000398
 Unscaled step for mode   20=       -0.0000000178
 Unscaled step for mode   21=       -0.0000000176
 Unscaled step for mode   22=        0.0000000201
 Unscaled step for mode   23=       -0.0000000016
 Unscaled step for mode   24=        0.0000000061
 Unscaled step for mode   25=        0.0000000586
 Unscaled step for mode   26=        0.0000000995
 Unscaled step for mode   27=        0.0000000515
 Unscaled step for mode   28=       -0.0000000448
 Unscaled step for mode   29=       -0.0000000380
 Unscaled step for mode   30=        0.0000000798
 Unscaled step for mode   31=        0.0000000515
 Unscaled step for mode   32=        0.0000000232
 Unscaled step for mode   33=       -0.0000000442
 Unscaled step for mode   34=       -0.0000000417
 Unscaled step for mode   35=       -0.0000000899
 Unscaled step for mode   36=       -0.0000000692
 Unscaled step for mode   37=        0.0000000719
 Unscaled step for mode   38=        0.0000000012
 Unscaled step for mode   39=        0.0000000814
 Unscaled step for mode   40=        0.0000000547
 Unscaled step for mode   41=        0.0000001693
 Unscaled step for mode   42=        0.0000000553
 Unscaled step for mode   43=        0.0000000683
 Unscaled step for mode   44=        0.0000001235
 Unscaled step for mode   45=       -0.0000000041
 Unscaled step for mode   46=       -0.0000001228
 Unscaled step for mode   47=        0.0000001466
 Unscaled step for mode   48=       -0.0000000264
 Unscaled step for mode   49=        0.0000001303
 Unscaled step for mode   50=       -0.0000000496
 Unscaled step for mode   51=        0.0000000893
 Unscaled step for mode   52=        0.0000000213
 Unscaled step for mode   53=        0.0000000772
 Unscaled step for mode   54=        0.0000001087
 Unscaled step for mode   55=        0.0000001241
 Unscaled step for mode   56=       -0.0000000371
 Unscaled step for mode   57=        0.0000000704
 Unscaled step for mode   58=       -0.0000001615
 Unscaled step for mode   59=        0.0000000123
 Unscaled step for mode   60=       -0.0000001589
 Unscaled step for mode   61=        0.0000002104
 Unscaled step for mode   62=        0.0000002152
 Unscaled step for mode   63=        0.0000001755
 Unscaled step for mode   64=       -0.0000002164
 Unscaled step for mode   65=       -0.0000001597
 Unscaled step for mode   66=       -0.0000001560
 Unscaled step for mode   67=       -0.0000000646
 Unscaled step for mode   68=        0.0000000788
 Unscaled step for mode   69=       -0.0000000519
 Unscaled step for mode   70=       -0.0000002410
 Unscaled step for mode   71=        0.0000000547
 Unscaled step for mode   72=        0.0000005777
 Unscaled step for mode   73=        0.0000002750
 Unscaled step for mode   74=        0.0000002843
 Unscaled step for mode   75=       -0.0000007910
 Unscaled step for mode   76=       -0.0000000232
 Unscaled step for mode   77=       -0.0000006057
 Unscaled step for mode   78=       -0.0000000472
 Unscaled step for mode   79=        0.0000001032
 Unscaled step for mode   80=       -0.0000002589
 Unscaled step for mode   81=        0.0000002794
 Unscaled step for mode   82=       -0.0000000507
 Unscaled step for mode   83=       -0.0000002046
 Unscaled step for mode   84=       -0.0000005816
 Unscaled step for mode   85=        0.0000005996
 Unscaled step for mode   86=        0.0000000897
 Unscaled step for mode   87=       -0.0000006570
 Unscaled step for mode   88=       -0.0000000950
 Unscaled step for mode   89=       -0.0000007678
 Unscaled step for mode   90=        0.0000007733
 Unscaled step for mode   91=       -0.0000001452
 Unscaled step for mode   92=        0.0000011049
 Unscaled step for mode   93=       -0.0000004800
 Unscaled step for mode   94=        0.0000009424
 Unscaled step for mode   95=       -0.0000004341
 Unscaled step for mode   96=        0.0000001226
 Unscaled step for mode   97=       -0.0000010015
 Unscaled step for mode   98=        0.0000011262
 Unscaled step for mode   99=        0.0000033173
 Unscaled step for mode  100=       -0.0000026689
 Unscaled step for mode  101=       -0.0000006619
 Unscaled step for mode  102=        0.0000035060
 Unscaled step for mode  103=       -0.0000008285
 Unscaled step for mode  104=        0.0000033556
 Unscaled step for mode  105=       -0.0000026024
 Unscaled step for mode  106=        0.0000008867
 Unscaled step for mode  107=       -0.0000052268
 Unscaled step for mode  108=       -0.0000001507
 Unscaled step for mode  109=        0.0000051687
 Unscaled step for mode  110=       -0.0005919231
 Unscaled step for mode  111=       -0.0003170614
 Unscaled step for mode  112=        0.0008800426
 Unscaled step for mode  113=        0.0032064172
 Unscaled step for mode  114=        0.1587204484
 Largest modulus ratio of non-zero e/values=           176.4980026    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.674157E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.607370E-15    0.100708E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.157682E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.443656E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.169081E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.128985E-14    0.973921E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.467849E-05    0.734347E+03  0.637095E-08 0.100000E-04    0.992607E+00
   8   -0.503402E-05    0.673711E+03  0.747207E-08 0.100000E-04    0.998784E+00
   9   -0.327824E-06    0.627143E+03  0.522727E-09 0.100000E-04    0.961423E+00
  10    0.211590E-05    0.604029E+03 -0.350297E-08 0.100000E-04    0.982846E+00
  11   -0.153183E-05    0.588120E+03  0.260461E-08 0.100000E-04    0.995741E+00
  12   -0.265774E-05    0.572103E+03  0.464556E-08 0.100000E-04    0.994091E+00
  13   -0.357219E-05    0.566991E+03  0.630026E-08 0.100000E-04    0.994056E+00
  14   -0.103420E-05    0.483312E+03  0.213983E-08 0.100000E-04    0.976309E+00
  15    0.185994E-05    0.464694E+03 -0.400251E-08 0.100000E-04    0.990723E+00
  16    0.630691E-05    0.461201E+03 -0.136750E-07 0.100000E-04    0.994504E+00
  17    0.455630E-05    0.441416E+03 -0.103220E-07 0.100000E-04    0.992970E+00
  18    0.503959E-05    0.429562E+03 -0.117319E-07 0.100000E-04    0.998621E+00
  19   -0.167835E-04    0.421893E+03  0.397814E-07 0.100000E-04    0.996617E+00
  20    0.728104E-05    0.408079E+03 -0.178422E-07 0.100000E-04    0.999166E+00
  21    0.699722E-05    0.397316E+03 -0.176112E-07 0.100000E-04    0.999699E+00
  22   -0.781336E-05    0.388810E+03  0.200956E-07 0.100000E-04    0.993052E+00
  23    0.589976E-06    0.368016E+03 -0.160313E-08 0.100000E-04    0.976476E+00
  24   -0.220576E-05    0.361616E+03  0.609972E-08 0.100000E-04    0.982149E+00
  25   -0.205591E-04    0.350730E+03  0.586179E-07 0.100000E-04    0.997891E+00
  26   -0.334205E-04    0.335914E+03  0.994913E-07 0.100000E-04    0.997671E+00
  27   -0.168059E-04    0.326125E+03  0.515321E-07 0.100000E-04    0.999047E+00
  28    0.144029E-04    0.321433E+03 -0.448084E-07 0.100000E-04    0.996668E+00
  29    0.121740E-04    0.320294E+03 -0.380088E-07 0.100000E-04    0.980983E+00
  30   -0.249192E-04    0.312311E+03  0.797897E-07 0.100000E-04    0.998514E+00
  31   -0.156337E-04    0.303768E+03  0.514661E-07 0.100000E-04    0.997014E+00
  32   -0.670847E-05    0.288721E+03  0.232351E-07 0.100000E-04    0.992804E+00
  33    0.123125E-04    0.278709E+03 -0.441770E-07 0.100000E-04    0.993522E+00
  34    0.112991E-04    0.270817E+03 -0.417221E-07 0.100000E-04    0.991502E+00
  35    0.240031E-04    0.267012E+03 -0.898952E-07 0.100000E-04    0.998903E+00
  36    0.182909E-04    0.264329E+03 -0.691972E-07 0.100000E-04    0.996870E+00
  37   -0.186852E-04    0.259808E+03  0.719190E-07 0.100000E-04    0.997057E+00
  38   -0.309159E-06    0.253931E+03  0.121750E-08 0.100000E-04    0.850477E+00
  39   -0.197054E-04    0.242201E+03  0.813598E-07 0.100000E-04    0.997414E+00
  40   -0.130389E-04    0.238435E+03  0.546855E-07 0.100000E-04    0.985035E+00
  41   -0.397570E-04    0.234888E+03  0.169260E-06 0.100000E-04    0.997561E+00
  42   -0.126384E-04    0.228448E+03  0.553226E-07 0.100000E-04    0.996141E+00
  43   -0.150203E-04    0.219872E+03  0.683139E-07 0.100000E-04    0.997388E+00
  44   -0.264207E-04    0.213878E+03  0.123532E-06 0.100000E-04    0.996569E+00
  45    0.868414E-06    0.212391E+03 -0.408876E-08 0.100000E-04    0.905752E+00
  46    0.254651E-04    0.207288E+03 -0.122849E-06 0.100000E-04    0.996246E+00
  47   -0.298350E-04    0.203568E+03  0.146560E-06 0.100000E-04    0.998900E+00
  48    0.521942E-05    0.197409E+03 -0.264396E-07 0.100000E-04    0.992336E+00
  49   -0.254464E-04    0.195225E+03  0.130344E-06 0.100000E-04    0.999269E+00
  50    0.949216E-05    0.191505E+03 -0.495661E-07 0.100000E-04    0.986655E+00
  51   -0.164453E-04    0.184135E+03  0.893110E-07 0.100000E-04    0.999946E+00
  52   -0.372014E-05    0.174931E+03  0.212663E-07 0.100000E-04    0.994904E+00
  53   -0.132748E-04    0.171927E+03  0.772116E-07 0.100000E-04    0.996875E+00
  54   -0.182097E-04    0.167562E+03  0.108674E-06 0.100000E-04    0.997703E+00
  55   -0.204674E-04    0.164929E+03  0.124098E-06 0.100000E-04    0.999210E+00
  56    0.589348E-05    0.158854E+03 -0.371000E-07 0.100000E-04    0.993282E+00
  57   -0.108469E-04    0.154035E+03  0.704189E-07 0.100000E-04    0.993904E+00
  58    0.244524E-04    0.151412E+03 -0.161495E-06 0.100000E-04    0.998158E+00
  59   -0.182631E-05    0.148539E+03  0.122951E-07 0.100000E-04    0.945950E+00
  60    0.227706E-04    0.143302E+03 -0.158899E-06 0.100000E-04    0.999259E+00
  61   -0.288493E-04    0.137149E+03  0.210351E-06 0.100000E-04    0.992537E+00
  62   -0.292293E-04    0.135853E+03  0.215153E-06 0.100000E-04    0.999250E+00
  63   -0.229248E-04    0.130646E+03  0.175473E-06 0.100000E-04    0.995972E+00
  64    0.277273E-04    0.128117E+03 -0.216422E-06 0.100000E-04    0.994806E+00
  65    0.201519E-04    0.126148E+03 -0.159748E-06 0.100000E-04    0.989653E+00
  66    0.195834E-04    0.125532E+03 -0.156002E-06 0.100000E-04    0.996219E+00
  67    0.773836E-05    0.119765E+03 -0.646127E-07 0.100000E-04    0.998938E+00
  68   -0.930744E-05    0.118082E+03  0.788222E-07 0.100000E-04    0.998080E+00
  69    0.607719E-05    0.117041E+03 -0.519236E-07 0.100000E-04    0.989026E+00
  70    0.267429E-04    0.110947E+03 -0.241041E-06 0.100000E-04    0.999321E+00
  71   -0.589584E-05    0.107775E+03  0.547053E-07 0.100000E-04    0.996736E+00
  72   -0.604952E-04    0.104719E+03  0.577688E-06 0.100000E-04    0.994566E+00
  73   -0.283508E-04    0.103092E+03  0.275006E-06 0.100000E-04    0.998008E+00
  74   -0.283625E-04    0.997610E+02  0.284305E-06 0.100000E-04    0.998540E+00
  75    0.758121E-04    0.958412E+02 -0.791017E-06 0.100000E-04    0.997098E+00
  76    0.219877E-05    0.947054E+02 -0.232170E-07 0.100000E-04    0.615151E+00
  77    0.563934E-04    0.930987E+02 -0.605738E-06 0.100000E-04    0.996640E+00
  78    0.427230E-05    0.905488E+02 -0.471823E-07 0.100000E-04    0.993302E+00
  79   -0.924917E-05    0.896517E+02  0.103168E-06 0.100000E-04    0.997295E+00
  80    0.220137E-04    0.850283E+02 -0.258899E-06 0.100000E-04    0.998755E+00
  81   -0.226057E-04    0.809109E+02  0.279390E-06 0.100000E-04    0.997123E+00
  82    0.404583E-05    0.798420E+02 -0.506729E-07 0.100000E-04    0.984072E+00
  83    0.160116E-04    0.782764E+02 -0.204552E-06 0.100000E-04    0.993809E+00
  84    0.423494E-04    0.728114E+02 -0.581631E-06 0.100000E-04    0.992910E+00
  85   -0.433362E-04    0.722782E+02  0.599575E-06 0.100000E-04    0.997069E+00
  86   -0.612713E-05    0.682757E+02  0.897409E-07 0.100000E-04    0.966273E+00
  87    0.436197E-04    0.663958E+02 -0.656965E-06 0.100000E-04    0.998932E+00
  88    0.599959E-05    0.631510E+02 -0.950037E-07 0.100000E-04    0.984325E+00
  89    0.461096E-04    0.600505E+02 -0.767847E-06 0.100000E-04    0.988170E+00
  90   -0.461828E-04    0.597194E+02  0.773330E-06 0.100000E-04    0.980877E+00
  91    0.857724E-05    0.590722E+02 -0.145199E-06 0.100000E-04    0.962632E+00
  92   -0.619235E-04    0.560436E+02  0.110492E-05 0.100000E-04    0.998406E+00
  93    0.253144E-04    0.527402E+02 -0.479984E-06 0.100000E-04    0.995179E+00
  94   -0.492858E-04    0.522981E+02  0.942401E-06 0.100000E-04    0.994760E+00
  95    0.217315E-04    0.500602E+02 -0.434106E-06 0.100000E-04    0.996524E+00
  96   -0.582247E-05    0.474812E+02  0.122627E-06 0.100000E-04    0.968104E+00
  97    0.429396E-04    0.428737E+02 -0.100154E-05 0.100000E-04    0.992800E+00
  98   -0.455247E-04    0.404230E+02  0.112621E-05 0.100000E-04    0.994699E+00
  99   -0.124324E-03    0.374772E+02  0.331731E-05 0.100000E-04    0.996533E+00
 100    0.966341E-04    0.362069E+02 -0.266894E-05 0.100000E-04    0.997155E+00
 101    0.228080E-04    0.344567E+02 -0.661933E-06 0.100000E-04    0.979008E+00
 102   -0.101003E-03    0.288089E+02  0.350598E-05 0.100000E-04    0.996688E+00
 103    0.237240E-04    0.286365E+02 -0.828455E-06 0.100000E-04    0.986022E+00
 104   -0.918901E-04    0.273840E+02  0.335561E-05 0.100000E-04    0.989865E+00
 105    0.598799E-04    0.230098E+02 -0.260237E-05 0.100000E-04    0.998078E+00
 106   -0.188827E-04    0.212966E+02  0.886654E-06 0.100000E-04    0.924606E+00
 107    0.106961E-03    0.204639E+02 -0.522682E-05 0.100000E-04    0.992089E+00
 108    0.253339E-05    0.168075E+02 -0.150730E-06 0.100000E-04    0.562037E+00
 109   -0.713065E-04    0.137957E+02  0.516874E-05 0.100000E-04    0.999584E+00
 110    0.724792E-02    0.122447E+02 -0.100000E-04 0.100000E-04    0.431334E+00
 111    0.314272E-02    0.991203E+01 -0.100000E-04 0.100000E-04    0.695513E+00
 112   -0.778020E-02    0.884070E+01  0.100000E-04 0.100000E-04    0.217484E+00
 113   -0.225947E-01    0.704665E+01  0.170017E-04 0.170017E-04    0.448904E-01
 114    0.677447E+00    0.416066E+01  0.400000E-03 0.400000E-03    0.636892E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1587204484    

 Beginning of optimization cycle  345.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3524615326
 potential> RMS force:                                               0.0636475743   |gradient|=.6795701316    
 Eigenvalues of the Hessian matrix:
   734.41024    673.71959    627.15493    604.02026    588.11059    572.14621 
   566.99602    483.33734    464.67090    461.19442    441.41773    429.55438 
   421.89675    408.08672    397.31077    388.80840    368.02368    361.60782 
   350.72312    335.89750    326.13849    321.43267    320.29552    312.28811 
   303.75464    288.73061    278.70362    270.82177    267.02079    264.33605 
   259.82386    253.93149    242.19629    238.44801    234.87496    228.44389 
   219.85086    213.88541    212.39709    207.28357    203.56867    197.40216 
   195.22151    191.50352    184.12514    174.92067    171.93268    167.56314 
   164.92138    158.84330    154.03976    151.41801    148.53041    143.30435 
   137.15150    135.85571    130.64428    128.12129    126.15117    125.52932 
   119.76708    118.08235    117.04231    110.94153    107.76675    104.71650 
   103.09192     99.75980     95.83752     94.69525     93.11084     90.55279 
    89.64667     85.03124     80.91064     79.84428     78.27516     72.81339 
    72.28297     68.27509     66.38345     63.14672     60.04406     59.71823 
    59.07214     56.04392     52.73705     52.29883     50.05914     47.47635 
    42.87322     40.42556     37.48143     36.20979     34.44459     28.80849 
    28.63519     27.37597     23.01165     21.29013     20.46830     16.80692 
    13.79617     12.24447      9.91350      8.83445      7.03961      4.15560 
overlap for current and previous eigenvector    109 is        -0.9999996812
overlap for current and previous eigenvector    110 is         0.9999995377
overlap for current and previous eigenvector    111 is        -0.9999988244
overlap for current and previous eigenvector    112 is        -0.9999933138
overlap for current and previous eigenvector    113 is        -0.9999942924
overlap for current and previous eigenvector    114 is         0.9999997302
J1,K1,R1,R2,RAT=   7   7   -0.5996168769E-02     2.005824926        0.9940038312    
FOB,PFOB,DIAG,PSTEP=   -0.4706548262E-05   -0.4678492828E-05     734.4102396        0.6370953439E-08
J1,K1,R1,R2,RAT=   8   8   -0.8146978642E-02     2.008121983        0.9918530214    
FOB,PFOB,DIAG,PSTEP=   -0.5075029806E-05   -0.5034017263E-05     673.7195935        0.7472070317E-08
J1,K1,R1,R2,RAT=   9   9   -0.2632713094E-01     2.026288643        0.9736728691    
FOB,PFOB,DIAG,PSTEP=   -0.3364551166E-06   -0.3278242778E-06     627.1549311        0.5227266347E-09
J1,K1,R1,R2,RAT=  10  10    0.8368307896E-02     1.991661645        0.9916316921    
FOB,PFOB,DIAG,PSTEP=    0.2098193326E-05    0.2115899560E-05     604.0202642       -0.3502974979E-08
J1,K1,R1,R2,RAT=  11  11   -0.5545736888E-02     2.005579390        0.9944542631    
FOB,PFOB,DIAG,PSTEP=   -0.1540320967E-05   -0.1531826006E-05     588.1105885        0.2604612570E-08
J1,K1,R1,R2,RAT= 109 109     1.995944345        0.3992949225E-02    0.9959443455    
FOB,PFOB,DIAG,PSTEP=    0.7102180914E-04   -0.7130654147E-04     13.79617033        0.5168737083E-05
J1,K1,R1,R2,RAT= 110 110   -0.5617720054         118.9485239        0.4382279946    
FOB,PFOB,DIAG,PSTEP=    0.7316702539E-02    0.7247916521E-02     12.24447230       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     63.09364961        0.3092718614        0.6907281386    
FOB,PFOB,DIAG,PSTEP=   -0.3112063746E-02    0.3142723403E-02     9.913497140       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     177.0882961       -0.9552387990        0.4476120099E-01
FOB,PFOB,DIAG,PSTEP=    0.7864586133E-02   -0.7780196012E-02     8.834452921        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     378.3872204       -0.8181988752        0.1818011248    
FOB,PFOB,DIAG,PSTEP=    0.2269266219E-01   -0.2259473579E-01     7.039605240        0.1700170994E-04
J1,K1,R1,R2,RAT= 114 114    0.9935462045        -816.0953362        0.6453795544E-02
FOB,PFOB,DIAG,PSTEP=    0.6790989737        0.6774474613         4.155600378        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000      0.00001     -0.00002 
     0.00002     -0.00001     -0.00001     -0.00002     -0.00000      0.00002 
    -0.00003     -0.00003      0.00002      0.00003      0.00002     -0.00002 
    -0.00001      0.00001     -0.00001      0.00003      0.00001     -0.00006 
    -0.00003      0.00003      0.00008      0.00000      0.00006      0.00000 
    -0.00001     -0.00002     -0.00002      0.00000      0.00002     -0.00004 
    -0.00004      0.00001      0.00004      0.00001      0.00005      0.00005 
     0.00001     -0.00006      0.00002     -0.00005      0.00002      0.00001 
     0.00004      0.00005      0.00012      0.00010      0.00002     -0.00010 
     0.00002     -0.00009      0.00006      0.00002      0.00011      0.00000 
     0.00007      0.00732     -0.00311      0.00786      0.02269      0.67910 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4234447987
 Log product of positive Hessian eigenvalues =          519.7582684868
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1556003779
 Unscaled step for mode    7=        0.0000000064
 Unscaled step for mode    8=        0.0000000075
 Unscaled step for mode    9=        0.0000000005
 Unscaled step for mode   10=       -0.0000000035
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000047
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000020
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000137
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000118
 Unscaled step for mode   19=        0.0000000398
 Unscaled step for mode   20=       -0.0000000178
 Unscaled step for mode   21=       -0.0000000176
 Unscaled step for mode   22=        0.0000000202
 Unscaled step for mode   23=       -0.0000000017
 Unscaled step for mode   24=        0.0000000062
 Unscaled step for mode   25=        0.0000000588
 Unscaled step for mode   26=        0.0000000996
 Unscaled step for mode   27=        0.0000000516
 Unscaled step for mode   28=       -0.0000000449
 Unscaled step for mode   29=       -0.0000000385
 Unscaled step for mode   30=        0.0000000799
 Unscaled step for mode   31=        0.0000000518
 Unscaled step for mode   32=        0.0000000233
 Unscaled step for mode   33=       -0.0000000442
 Unscaled step for mode   34=       -0.0000000419
 Unscaled step for mode   35=       -0.0000000900
 Unscaled step for mode   36=       -0.0000000694
 Unscaled step for mode   37=        0.0000000721
 Unscaled step for mode   38=        0.0000000010
 Unscaled step for mode   39=        0.0000000815
 Unscaled step for mode   40=        0.0000000554
 Unscaled step for mode   41=        0.0000001698
 Unscaled step for mode   42=        0.0000000556
 Unscaled step for mode   43=        0.0000000688
 Unscaled step for mode   44=        0.0000001242
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001234
 Unscaled step for mode   47=        0.0000001466
 Unscaled step for mode   48=       -0.0000000266
 Unscaled step for mode   49=        0.0000001309
 Unscaled step for mode   50=       -0.0000000491
 Unscaled step for mode   51=        0.0000000897
 Unscaled step for mode   52=        0.0000000216
 Unscaled step for mode   53=       -0.0000000774
 Unscaled step for mode   54=        0.0000001093
 Unscaled step for mode   55=       -0.0000001242
 Unscaled step for mode   56=        0.0000000368
 Unscaled step for mode   57=        0.0000000708
 Unscaled step for mode   58=        0.0000001618
 Unscaled step for mode   59=        0.0000000124
 Unscaled step for mode   60=       -0.0000001594
 Unscaled step for mode   61=        0.0000002108
 Unscaled step for mode   62=        0.0000002145
 Unscaled step for mode   63=       -0.0000001748
 Unscaled step for mode   64=       -0.0000002176
 Unscaled step for mode   65=       -0.0000001606
 Unscaled step for mode   66=        0.0000001546
 Unscaled step for mode   67=        0.0000000653
 Unscaled step for mode   68=       -0.0000000788
 Unscaled step for mode   69=        0.0000000519
 Unscaled step for mode   70=       -0.0000002423
 Unscaled step for mode   71=       -0.0000000549
 Unscaled step for mode   72=        0.0000005790
 Unscaled step for mode   73=        0.0000002756
 Unscaled step for mode   74=       -0.0000002833
 Unscaled step for mode   75=       -0.0000007935
 Unscaled step for mode   76=       -0.0000000288
 Unscaled step for mode   77=       -0.0000006036
 Unscaled step for mode   78=       -0.0000000499
 Unscaled step for mode   79=        0.0000001020
 Unscaled step for mode   80=        0.0000002596
 Unscaled step for mode   81=        0.0000002799
 Unscaled step for mode   82=       -0.0000000533
 Unscaled step for mode   83=       -0.0000002060
 Unscaled step for mode   84=        0.0000005828
 Unscaled step for mode   85=        0.0000005972
 Unscaled step for mode   86=       -0.0000000928
 Unscaled step for mode   87=       -0.0000006579
 Unscaled step for mode   88=       -0.0000000957
 Unscaled step for mode   89=       -0.0000007597
 Unscaled step for mode   90=       -0.0000007827
 Unscaled step for mode   91=       -0.0000001488
 Unscaled step for mode   92=        0.0000011073
 Unscaled step for mode   93=       -0.0000004740
 Unscaled step for mode   94=        0.0000009431
 Unscaled step for mode   95=       -0.0000004283
 Unscaled step for mode   96=       -0.0000001216
 Unscaled step for mode   97=       -0.0000009989
 Unscaled step for mode   98=       -0.0000011290
 Unscaled step for mode   99=       -0.0000033134
 Unscaled step for mode  100=       -0.0000026647
 Unscaled step for mode  101=       -0.0000006611
 Unscaled step for mode  102=        0.0000035038
 Unscaled step for mode  103=       -0.0000008413
 Unscaled step for mode  104=        0.0000033563
 Unscaled step for mode  105=       -0.0000026143
 Unscaled step for mode  106=       -0.0000008647
 Unscaled step for mode  107=       -0.0000052341
 Unscaled step for mode  108=       -0.0000001536
 Unscaled step for mode  109=       -0.0000051479
 Unscaled step for mode  110=       -0.0005975513
 Unscaled step for mode  111=        0.0003139219
 Unscaled step for mode  112=       -0.0008902170
 Unscaled step for mode  113=       -0.0032235368
 Unscaled step for mode  114=        0.1592722515
 Largest modulus ratio of non-zero e/values=           176.7278306    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.654208E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.295662E-15    0.100707E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.279724E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.954098E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.249766E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.317075E-15    0.973923E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.470655E-05    0.734410E+03  0.640861E-08 0.100000E-04    0.994004E+00
   8   -0.507503E-05    0.673720E+03  0.753285E-08 0.100000E-04    0.991853E+00
   9   -0.336455E-06    0.627155E+03  0.536478E-09 0.100000E-04    0.973673E+00
  10    0.209819E-05    0.604020E+03 -0.347371E-08 0.100000E-04    0.991632E+00
  11   -0.154032E-05    0.588111E+03  0.261910E-08 0.100000E-04    0.994454E+00
  12   -0.271252E-05    0.572146E+03  0.474096E-08 0.100000E-04    0.979389E+00
  13   -0.359795E-05    0.566996E+03  0.634564E-08 0.100000E-04    0.992789E+00
  14   -0.981132E-06    0.483337E+03  0.202991E-08 0.100000E-04    0.948581E+00
  15    0.188252E-05    0.464671E+03 -0.405129E-08 0.100000E-04    0.987863E+00
  16    0.631766E-05    0.461194E+03 -0.136985E-07 0.100000E-04    0.998297E+00
  17    0.454717E-05    0.441418E+03 -0.103013E-07 0.100000E-04    0.997987E+00
  18    0.505333E-05    0.429554E+03 -0.117641E-07 0.100000E-04    0.997274E+00
  19   -0.168118E-04    0.421897E+03  0.398481E-07 0.100000E-04    0.998315E+00
  20    0.724898E-05    0.408087E+03 -0.177633E-07 0.100000E-04    0.995560E+00
  21    0.697886E-05    0.397311E+03 -0.175652E-07 0.100000E-04    0.997375E+00
  22   -0.783816E-05    0.388808E+03  0.201594E-07 0.100000E-04    0.996827E+00
  23    0.615481E-06    0.368024E+03 -0.167240E-08 0.100000E-04    0.956771E+00
  24   -0.223266E-05    0.361608E+03  0.617426E-08 0.100000E-04    0.987803E+00
  25   -0.206129E-04    0.350723E+03  0.587725E-07 0.100000E-04    0.997382E+00
  26   -0.334611E-04    0.335897E+03  0.996170E-07 0.100000E-04    0.998786E+00
  27   -0.168437E-04    0.326138E+03  0.516460E-07 0.100000E-04    0.997747E+00
  28    0.144326E-04    0.321433E+03 -0.449010E-07 0.100000E-04    0.997934E+00
  29    0.123464E-04    0.320296E+03 -0.385469E-07 0.100000E-04    0.985838E+00
  30   -0.249529E-04    0.312288E+03  0.799035E-07 0.100000E-04    0.998647E+00
  31   -0.157497E-04    0.303755E+03  0.518499E-07 0.100000E-04    0.992584E+00
  32   -0.672636E-05    0.288731E+03  0.232963E-07 0.100000E-04    0.997334E+00
  33    0.123150E-04    0.278704E+03 -0.441866E-07 0.100000E-04    0.999802E+00
  34    0.113470E-04    0.270822E+03 -0.418983E-07 0.100000E-04    0.995760E+00
  35    0.240377E-04    0.267021E+03 -0.900218E-07 0.100000E-04    0.998558E+00
  36    0.183573E-04    0.264336E+03 -0.694470E-07 0.100000E-04    0.996365E+00
  37   -0.187352E-04    0.259824E+03  0.721074E-07 0.100000E-04    0.997320E+00
  38   -0.263991E-06    0.253931E+03  0.103961E-08 0.100000E-04    0.853891E+00
  39   -0.197303E-04    0.242196E+03  0.814639E-07 0.100000E-04    0.998738E+00
  40   -0.131993E-04    0.238448E+03  0.553551E-07 0.100000E-04    0.987702E+00
  41   -0.398728E-04    0.234875E+03  0.169762E-06 0.100000E-04    0.997087E+00
  42   -0.127107E-04    0.228444E+03  0.556401E-07 0.100000E-04    0.994279E+00
  43   -0.151295E-04    0.219851E+03  0.688171E-07 0.100000E-04    0.992729E+00
  44   -0.265737E-04    0.213885E+03  0.124243E-06 0.100000E-04    0.994211E+00
  45    0.820655E-06    0.212397E+03 -0.386378E-08 0.100000E-04    0.944947E+00
  46    0.255822E-04    0.207284E+03 -0.123416E-06 0.100000E-04    0.995401E+00
  47   -0.298488E-04    0.203569E+03  0.146628E-06 0.100000E-04    0.999537E+00
  48    0.524879E-05    0.197402E+03 -0.265893E-07 0.100000E-04    0.994373E+00
  49   -0.255634E-04    0.195222E+03  0.130946E-06 0.100000E-04    0.995401E+00
  50    0.939574E-05    0.191504E+03 -0.490630E-07 0.100000E-04    0.989842E+00
  51   -0.165233E-04    0.184125E+03  0.897395E-07 0.100000E-04    0.995256E+00
  52   -0.377021E-05    0.174921E+03  0.215539E-07 0.100000E-04    0.986539E+00
  53    0.133116E-04    0.171933E+03 -0.774232E-07 0.100000E-04    0.997229E+00
  54   -0.183201E-04    0.167563E+03  0.109333E-06 0.100000E-04    0.993936E+00
  55    0.204876E-04    0.164921E+03 -0.124226E-06 0.100000E-04    0.999012E+00
  56   -0.584812E-05    0.158843E+03  0.368169E-07 0.100000E-04    0.992304E+00
  57   -0.109086E-04    0.154040E+03  0.708169E-07 0.100000E-04    0.994315E+00
  58   -0.244952E-04    0.151418E+03  0.161772E-06 0.100000E-04    0.998248E+00
  59   -0.184423E-05    0.148530E+03  0.124165E-07 0.100000E-04    0.990189E+00
  60    0.228485E-04    0.143304E+03 -0.159440E-06 0.100000E-04    0.996579E+00
  61   -0.289077E-04    0.137151E+03  0.210772E-06 0.100000E-04    0.997975E+00
  62   -0.291475E-04    0.135856E+03  0.214547E-06 0.100000E-04    0.997168E+00
  63    0.228377E-04    0.130644E+03 -0.174809E-06 0.100000E-04    0.996201E+00
  64    0.278837E-04    0.128121E+03 -0.217635E-06 0.100000E-04    0.994359E+00
  65    0.202587E-04    0.126151E+03 -0.160591E-06 0.100000E-04    0.994700E+00
  66   -0.194118E-04    0.125529E+03  0.154640E-06 0.100000E-04    0.991240E+00
  67   -0.782279E-05    0.119767E+03  0.653167E-07 0.100000E-04    0.989091E+00
  68    0.930993E-05    0.118082E+03 -0.788427E-07 0.100000E-04    0.999733E+00
  69   -0.607516E-05    0.117042E+03  0.519057E-07 0.100000E-04    0.999643E+00
  70    0.268853E-04    0.110942E+03 -0.242337E-06 0.100000E-04    0.994675E+00
  71    0.591729E-05    0.107767E+03 -0.549083E-07 0.100000E-04    0.996362E+00
  72   -0.606304E-04    0.104717E+03  0.578995E-06 0.100000E-04    0.997766E+00
  73   -0.284159E-04    0.103092E+03  0.275637E-06 0.100000E-04    0.997704E+00
  74    0.282609E-04    0.997598E+02 -0.283290E-06 0.100000E-04    0.996417E+00
  75    0.760449E-04    0.958375E+02 -0.793477E-06 0.100000E-04    0.996929E+00
  76    0.273080E-05    0.946952E+02 -0.288378E-07 0.100000E-04    0.758008E+00
  77    0.562012E-04    0.931108E+02 -0.603594E-06 0.100000E-04    0.996331E+00
  78    0.451926E-05    0.905528E+02 -0.499075E-07 0.100000E-04    0.942198E+00
  79   -0.914357E-05    0.896467E+02  0.101996E-06 0.100000E-04    0.988582E+00
  80   -0.220736E-04    0.850312E+02  0.259594E-06 0.100000E-04    0.997282E+00
  81   -0.226483E-04    0.809106E+02  0.279918E-06 0.100000E-04    0.998116E+00
  82    0.425721E-05    0.798443E+02 -0.533189E-07 0.100000E-04    0.947755E+00
  83    0.161241E-04    0.782752E+02 -0.205992E-06 0.100000E-04    0.992974E+00
  84   -0.424345E-04    0.728134E+02  0.582785E-06 0.100000E-04    0.997990E+00
  85   -0.431646E-04    0.722830E+02  0.597161E-06 0.100000E-04    0.995909E+00
  86    0.633798E-05    0.682751E+02 -0.928301E-07 0.100000E-04    0.965586E+00
  87    0.436723E-04    0.663834E+02 -0.657879E-06 0.100000E-04    0.998794E+00
  88    0.604217E-05    0.631467E+02 -0.956847E-07 0.100000E-04    0.992901E+00
  89    0.456158E-04    0.600441E+02 -0.759705E-06 0.100000E-04    0.989289E+00
  90    0.467396E-04    0.597182E+02 -0.782669E-06 0.100000E-04    0.987943E+00
  91    0.878740E-05    0.590721E+02 -0.148757E-06 0.100000E-04    0.975499E+00
  92   -0.620559E-04    0.560439E+02  0.110727E-05 0.100000E-04    0.997862E+00
  93    0.249980E-04    0.527371E+02 -0.474012E-06 0.100000E-04    0.987500E+00
  94   -0.493211E-04    0.522988E+02  0.943063E-06 0.100000E-04    0.999284E+00
  95    0.214414E-04    0.500591E+02 -0.428321E-06 0.100000E-04    0.986650E+00
  96    0.577102E-05    0.474764E+02 -0.121556E-06 0.100000E-04    0.991162E+00
  97    0.428245E-04    0.428732E+02 -0.998863E-06 0.100000E-04    0.997320E+00
  98    0.456405E-04    0.404256E+02 -0.112900E-05 0.100000E-04    0.997456E+00
  99    0.124192E-03    0.374814E+02 -0.331343E-05 0.100000E-04    0.998715E+00
 100    0.964887E-04    0.362098E+02 -0.266471E-05 0.100000E-04    0.998337E+00
 101    0.227712E-04    0.344446E+02 -0.661096E-06 0.100000E-04    0.998384E+00
 102   -0.100940E-03    0.288085E+02  0.350382E-05 0.100000E-04    0.999370E+00
 103    0.240895E-04    0.286352E+02 -0.841256E-06 0.100000E-04    0.984593E+00
 104   -0.918810E-04    0.273760E+02  0.335626E-05 0.100000E-04    0.999901E+00
 105    0.601592E-04    0.230116E+02 -0.261429E-05 0.100000E-04    0.995336E+00
 106    0.184099E-04    0.212901E+02 -0.864715E-06 0.100000E-04    0.974953E+00
 107    0.107133E-03    0.204683E+02 -0.523409E-05 0.100000E-04    0.998392E+00
 108    0.258230E-05    0.168069E+02 -0.153645E-06 0.100000E-04    0.980693E+00
 109    0.710218E-04    0.137962E+02 -0.514794E-05 0.100000E-04    0.995944E+00
 110    0.731670E-02    0.122445E+02 -0.100000E-04 0.100000E-04    0.438228E+00
 111   -0.311206E-02    0.991350E+01  0.100000E-04 0.100000E-04    0.690728E+00
 112    0.786459E-02    0.883445E+01 -0.109000E-04 0.109000E-04    0.447612E-01
 113    0.226927E-01    0.703961E+01 -0.185319E-04 0.185319E-04    0.181801E+00
 114    0.679099E+00    0.415560E+01  0.400000E-03 0.400000E-03    0.645380E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1592722515    

 Beginning of optimization cycle  346.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3521901700
 potential> RMS force:                                               0.0638023651   |gradient|=.6812228445    
 Eigenvalues of the Hessian matrix:
   734.47322    673.72791    627.16715    604.01105    588.10065    572.18927 
   567.00029    483.36316    464.64761    461.18792    441.41953    429.54713 
   421.90044    408.09391    397.30569    388.80674    368.03161    361.59926 
   350.71585    335.88107    326.15224    321.43210    320.29686    312.26546 
   303.74165    288.74001    278.69874    270.82638    267.02950    264.34263 
   259.83953    253.93241    242.19202    238.46074    234.86246    228.43933 
   219.83002    213.89314    212.40347    207.27930    203.56941    197.39487 
   195.21806    191.50198    184.11522    174.91016    171.93812    167.56425 
   164.91373    158.83252    154.04490    151.42369    148.52176    143.30659 
   137.15447    135.85806    130.64266    128.12591    126.15425    125.52604 
   119.76885    118.08318    117.04367    110.93585    107.75898    104.71360 
   103.09211     99.75862     95.83385     94.68493     93.12297     90.55681 
    89.64159     85.03419     80.91039     79.84656     78.27396     72.81540 
    72.28764     68.27445     66.37107     63.14235     60.03777     59.71690 
    59.07212     56.04426     52.73396     52.29954     50.05808     47.47147 
    42.87277     40.42812     37.48565     36.21263     34.43249     28.80809 
    28.63392     27.36793     23.01355     21.28367     20.47272     16.80634 
    13.79661     12.24426      9.91496      8.82838      7.03252      4.15053 
overlap for current and previous eigenvector    109 is        -0.9999996867
overlap for current and previous eigenvector    110 is         0.9999995406
overlap for current and previous eigenvector    111 is         0.9999988720
overlap for current and previous eigenvector    112 is         0.9999934918
overlap for current and previous eigenvector    113 is        -0.9999944154
overlap for current and previous eigenvector    114 is         0.9999997238
J1,K1,R1,R2,RAT=   7   7   -0.6657465787E-02     2.006485966        0.9933425342    
FOB,PFOB,DIAG,PSTEP=   -0.4737884634E-05   -0.4706548262E-05     734.4732206        0.6408609261E-08
J1,K1,R1,R2,RAT=   8   8   -0.7318049239E-02     2.007293371        0.9926819508    
FOB,PFOB,DIAG,PSTEP=   -0.5112169583E-05   -0.5075029806E-05     673.7279067        0.7532851732E-08
J1,K1,R1,R2,RAT=   9   9   -0.1365531004         2.136514139        0.8634468996    
FOB,PFOB,DIAG,PSTEP=   -0.3824000009E-06   -0.3364551166E-06     627.1671487        0.5364784680E-09
J1,K1,R1,R2,RAT=  10  10    0.1403449729E-02     1.998627075        0.9985965503    
FOB,PFOB,DIAG,PSTEP=    0.2095248662E-05    0.2098193326E-05     604.0110457       -0.3473713467E-08
J1,K1,R1,R2,RAT=  11  11    0.1128438687E-01     1.988749399        0.9887156131    
FOB,PFOB,DIAG,PSTEP=   -0.1522939683E-05   -0.1540320967E-05     588.1006537        0.2619100892E-08
J1,K1,R1,R2,RAT= 109 109     2.008033853       -0.8097714718E-02    0.9919022853    
FOB,PFOB,DIAG,PSTEP=   -0.7159694186E-04    0.7102180914E-04     13.79661087       -0.5147936525E-05
J1,K1,R1,R2,RAT= 110 110   -0.5536990931         120.0660508        0.4463009069    
FOB,PFOB,DIAG,PSTEP=    0.7384498905E-02    0.7316702539E-02     12.24426167       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3031271045         62.47199262        0.6968728955    
FOB,PFOB,DIAG,PSTEP=   -0.3082008818E-02   -0.3112063746E-02     9.914959175        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8668795669         164.3218554        0.1331204331    
FOB,PFOB,DIAG,PSTEP=    0.7948005424E-02    0.7864586133E-02     8.828384207       -0.1090000000E-04
J1,K1,R1,R2,RAT= 113 113     348.9956300       -0.7502993335        0.2497006665    
FOB,PFOB,DIAG,PSTEP=   -0.2279044549E-01    0.2269266219E-01     7.032521057       -0.1853186384E-04
J1,K1,R1,R2,RAT= 114 114    0.9932628181        -819.0806802        0.6737181871E-02
FOB,PFOB,DIAG,PSTEP=    0.6807479998        0.6790989737         4.150528167        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001      0.00002 
     0.00002      0.00001     -0.00001      0.00002     -0.00000      0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002     -0.00002 
    -0.00001      0.00001     -0.00001      0.00003      0.00001     -0.00006 
    -0.00003     -0.00003      0.00008      0.00000      0.00006     -0.00000 
    -0.00001      0.00002     -0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004     -0.00001      0.00004      0.00001      0.00004     -0.00005 
    -0.00001     -0.00006      0.00002      0.00005      0.00002      0.00001 
    -0.00004      0.00005     -0.00012      0.00010      0.00002     -0.00010 
     0.00002     -0.00009      0.00006     -0.00002      0.00011      0.00000 
    -0.00007      0.00738     -0.00308      0.00795     -0.02279      0.68075 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4232813942
 Log product of positive Hessian eigenvalues =          519.7543605981
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1505281666
 Unscaled step for mode    7=        0.0000000065
 Unscaled step for mode    8=        0.0000000076
 Unscaled step for mode    9=        0.0000000006
 Unscaled step for mode   10=       -0.0000000035
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000049
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000019
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000137
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000399
 Unscaled step for mode   20=       -0.0000000176
 Unscaled step for mode   21=       -0.0000000175
 Unscaled step for mode   22=        0.0000000203
 Unscaled step for mode   23=       -0.0000000018
 Unscaled step for mode   24=        0.0000000064
 Unscaled step for mode   25=        0.0000000588
 Unscaled step for mode   26=        0.0000000997
 Unscaled step for mode   27=        0.0000000517
 Unscaled step for mode   28=       -0.0000000449
 Unscaled step for mode   29=       -0.0000000392
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000522
 Unscaled step for mode   32=        0.0000000236
 Unscaled step for mode   33=       -0.0000000443
 Unscaled step for mode   34=       -0.0000000422
 Unscaled step for mode   35=       -0.0000000902
 Unscaled step for mode   36=       -0.0000000700
 Unscaled step for mode   37=        0.0000000722
 Unscaled step for mode   38=        0.0000000008
 Unscaled step for mode   39=        0.0000000815
 Unscaled step for mode   40=        0.0000000563
 Unscaled step for mode   41=        0.0000001705
 Unscaled step for mode   42=        0.0000000563
 Unscaled step for mode   43=        0.0000000693
 Unscaled step for mode   44=        0.0000001253
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000001241
 Unscaled step for mode   47=        0.0000001469
 Unscaled step for mode   48=       -0.0000000266
 Unscaled step for mode   49=        0.0000001315
 Unscaled step for mode   50=       -0.0000000485
 Unscaled step for mode   51=        0.0000000899
 Unscaled step for mode   52=        0.0000000217
 Unscaled step for mode   53=        0.0000000774
 Unscaled step for mode   54=       -0.0000001097
 Unscaled step for mode   55=       -0.0000001245
 Unscaled step for mode   56=       -0.0000000372
 Unscaled step for mode   57=        0.0000000708
 Unscaled step for mode   58=       -0.0000001621
 Unscaled step for mode   59=        0.0000000130
 Unscaled step for mode   60=       -0.0000001595
 Unscaled step for mode   61=        0.0000002110
 Unscaled step for mode   62=        0.0000002141
 Unscaled step for mode   63=       -0.0000001741
 Unscaled step for mode   64=        0.0000002187
 Unscaled step for mode   65=        0.0000001610
 Unscaled step for mode   66=        0.0000001537
 Unscaled step for mode   67=        0.0000000666
 Unscaled step for mode   68=       -0.0000000786
 Unscaled step for mode   69=        0.0000000519
 Unscaled step for mode   70=       -0.0000002437
 Unscaled step for mode   71=       -0.0000000554
 Unscaled step for mode   72=        0.0000005812
 Unscaled step for mode   73=        0.0000002759
 Unscaled step for mode   74=        0.0000002826
 Unscaled step for mode   75=       -0.0000007955
 Unscaled step for mode   76=       -0.0000000350
 Unscaled step for mode   77=       -0.0000006005
 Unscaled step for mode   78=        0.0000000506
 Unscaled step for mode   79=        0.0000001016
 Unscaled step for mode   80=       -0.0000002594
 Unscaled step for mode   81=        0.0000002810
 Unscaled step for mode   82=        0.0000000559
 Unscaled step for mode   83=        0.0000002055
 Unscaled step for mode   84=        0.0000005844
 Unscaled step for mode   85=        0.0000005944
 Unscaled step for mode   86=        0.0000000950
 Unscaled step for mode   87=       -0.0000006563
 Unscaled step for mode   88=       -0.0000000990
 Unscaled step for mode   89=       -0.0000007485
 Unscaled step for mode   90=        0.0000007910
 Unscaled step for mode   91=        0.0000001515
 Unscaled step for mode   92=        0.0000011074
 Unscaled step for mode   93=       -0.0000004681
 Unscaled step for mode   94=       -0.0000009461
 Unscaled step for mode   95=       -0.0000004256
 Unscaled step for mode   96=       -0.0000001215
 Unscaled step for mode   97=        0.0000009934
 Unscaled step for mode   98=       -0.0000011306
 Unscaled step for mode   99=        0.0000033070
 Unscaled step for mode  100=       -0.0000026521
 Unscaled step for mode  101=       -0.0000006554
 Unscaled step for mode  102=        0.0000035030
 Unscaled step for mode  103=       -0.0000008573
 Unscaled step for mode  104=        0.0000033820
 Unscaled step for mode  105=       -0.0000026049
 Unscaled step for mode  106=        0.0000008450
 Unscaled step for mode  107=       -0.0000051882
 Unscaled step for mode  108=       -0.0000001197
 Unscaled step for mode  109=        0.0000051895
 Unscaled step for mode  110=       -0.0006030985
 Unscaled step for mode  111=        0.0003108443
 Unscaled step for mode  112=       -0.0009002779
 Unscaled step for mode  113=        0.0032406879
 Unscaled step for mode  114=        0.1598251804
 Largest modulus ratio of non-zero e/values=           176.9589775    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.117961E-15    0.101900E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.119371E-14    0.100707E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.882541E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.167996E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.359684E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.808706E-15    0.973925E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.473788E-05    0.734473E+03  0.645072E-08 0.100000E-04    0.993343E+00
   8   -0.511217E-05    0.673728E+03  0.758788E-08 0.100000E-04    0.992682E+00
   9   -0.382400E-06    0.627167E+03  0.609726E-09 0.100000E-04    0.863447E+00
  10    0.209525E-05    0.604011E+03 -0.346889E-08 0.100000E-04    0.998597E+00
  11   -0.152294E-05    0.588101E+03  0.258959E-08 0.100000E-04    0.988716E+00
  12   -0.280863E-05    0.572189E+03  0.490856E-08 0.100000E-04    0.964574E+00
  13   -0.359010E-05    0.567000E+03  0.633174E-08 0.100000E-04    0.997803E+00
  14   -0.914087E-06    0.483363E+03  0.189110E-08 0.100000E-04    0.931562E+00
  15    0.186650E-05    0.464648E+03 -0.401702E-08 0.100000E-04    0.991491E+00
  16    0.632755E-05    0.461188E+03 -0.137201E-07 0.100000E-04    0.998434E+00
  17    0.452045E-05    0.441420E+03 -0.102407E-07 0.100000E-04    0.994117E+00
  18    0.501312E-05    0.429547E+03 -0.116707E-07 0.100000E-04    0.992042E+00
  19   -0.168320E-04    0.421900E+03  0.398956E-07 0.100000E-04    0.998798E+00
  20    0.718527E-05    0.408094E+03 -0.176069E-07 0.100000E-04    0.991176E+00
  21    0.693790E-05    0.397306E+03 -0.174624E-07 0.100000E-04    0.994131E+00
  22   -0.791066E-05    0.388807E+03  0.203460E-07 0.100000E-04    0.990751E+00
  23    0.676636E-06    0.368032E+03 -0.183853E-08 0.100000E-04    0.900642E+00
  24   -0.229925E-05    0.361599E+03  0.635856E-08 0.100000E-04    0.970175E+00
  25   -0.206336E-04    0.350716E+03  0.588328E-07 0.100000E-04    0.998995E+00
  26   -0.335031E-04    0.335881E+03  0.997468E-07 0.100000E-04    0.998746E+00
  27   -0.168494E-04    0.326152E+03  0.516613E-07 0.100000E-04    0.999662E+00
  28    0.144435E-04    0.321432E+03 -0.449348E-07 0.100000E-04    0.999248E+00
  29    0.125464E-04    0.320297E+03 -0.391712E-07 0.100000E-04    0.983799E+00
  30   -0.250107E-04    0.312265E+03  0.800942E-07 0.100000E-04    0.997685E+00
  31   -0.158550E-04    0.303742E+03  0.521991E-07 0.100000E-04    0.993308E+00
  32   -0.680693E-05    0.288740E+03  0.235746E-07 0.100000E-04    0.988022E+00
  33    0.123490E-04    0.278699E+03 -0.443094E-07 0.100000E-04    0.997237E+00
  34    0.114171E-04    0.270826E+03 -0.421566E-07 0.100000E-04    0.993820E+00
  35    0.240888E-04    0.267029E+03 -0.902104E-07 0.100000E-04    0.997873E+00
  36    0.184914E-04    0.264343E+03 -0.699524E-07 0.100000E-04    0.992697E+00
  37   -0.187720E-04    0.259840E+03  0.722445E-07 0.100000E-04    0.998038E+00
  38   -0.204248E-06    0.253932E+03  0.804342E-09 0.100000E-04    0.773688E+00
  39   -0.197489E-04    0.242192E+03  0.815422E-07 0.100000E-04    0.999057E+00
  40   -0.134298E-04    0.238461E+03  0.563188E-07 0.100000E-04    0.982537E+00
  41   -0.400421E-04    0.234862E+03  0.170492E-06 0.100000E-04    0.995755E+00
  42   -0.128587E-04    0.228439E+03  0.562895E-07 0.100000E-04    0.988349E+00
  43   -0.152362E-04    0.219830E+03  0.693092E-07 0.100000E-04    0.992944E+00
  44   -0.267947E-04    0.213893E+03  0.125272E-06 0.100000E-04    0.991681E+00
  45    0.805186E-06    0.212403E+03 -0.379083E-08 0.100000E-04    0.981090E+00
  46    0.257188E-04    0.207279E+03 -0.124078E-06 0.100000E-04    0.994659E+00
  47   -0.298984E-04    0.203569E+03  0.146871E-06 0.100000E-04    0.998339E+00
  48    0.524890E-05    0.197395E+03 -0.265909E-07 0.100000E-04    0.999978E+00
  49   -0.256704E-04    0.195218E+03  0.131496E-06 0.100000E-04    0.995815E+00
  50    0.929141E-05    0.191502E+03 -0.485186E-07 0.100000E-04    0.988896E+00
  51   -0.165552E-04    0.184115E+03  0.899178E-07 0.100000E-04    0.998067E+00
  52   -0.380427E-05    0.174910E+03  0.217499E-07 0.100000E-04    0.990966E+00
  53   -0.133084E-04    0.171938E+03  0.774022E-07 0.100000E-04    0.999698E+00
  54    0.183895E-04    0.167564E+03 -0.109746E-06 0.100000E-04    0.996216E+00
  55    0.205375E-04    0.164914E+03 -0.124535E-06 0.100000E-04    0.997565E+00
  56    0.591514E-05    0.158833E+03 -0.372414E-07 0.100000E-04    0.988539E+00
  57   -0.109136E-04    0.154045E+03  0.708470E-07 0.100000E-04    0.999542E+00
  58    0.245520E-04    0.151424E+03 -0.162141E-06 0.100000E-04    0.997682E+00
  59   -0.192828E-05    0.148522E+03  0.129831E-07 0.100000E-04    0.954422E+00
  60    0.228622E-04    0.143307E+03 -0.159534E-06 0.100000E-04    0.999400E+00
  61   -0.289433E-04    0.137154E+03  0.211027E-06 0.100000E-04    0.998771E+00
  62   -0.290887E-04    0.135858E+03  0.214111E-06 0.100000E-04    0.997946E+00
  63    0.227419E-04    0.130643E+03 -0.174077E-06 0.100000E-04    0.995802E+00
  64   -0.280210E-04    0.128126E+03  0.218699E-06 0.100000E-04    0.995076E+00
  65   -0.203070E-04    0.126154E+03  0.160969E-06 0.100000E-04    0.997619E+00
  66   -0.192903E-04    0.125526E+03  0.153675E-06 0.100000E-04    0.993738E+00
  67   -0.797678E-05    0.119769E+03  0.666015E-07 0.100000E-04    0.980315E+00
  68    0.928555E-05    0.118083E+03 -0.786357E-07 0.100000E-04    0.997368E+00
  69   -0.607852E-05    0.117044E+03  0.519338E-07 0.100000E-04    0.999447E+00
  70    0.270307E-04    0.110936E+03 -0.243661E-06 0.100000E-04    0.994591E+00
  71    0.597241E-05    0.107759E+03 -0.554238E-07 0.100000E-04    0.990684E+00
  72   -0.608582E-04    0.104714E+03  0.581187E-06 0.100000E-04    0.996243E+00
  73   -0.284392E-04    0.103092E+03  0.275862E-06 0.100000E-04    0.999180E+00
  74   -0.281883E-04    0.997586E+02  0.282565E-06 0.100000E-04    0.997431E+00
  75    0.762319E-04    0.958339E+02 -0.795459E-06 0.100000E-04    0.997540E+00
  76    0.331199E-05    0.946849E+02 -0.349791E-07 0.100000E-04    0.787149E+00
  77    0.559242E-04    0.931230E+02 -0.600541E-06 0.100000E-04    0.994811E+00
  78   -0.458315E-05    0.905568E+02  0.506108E-07 0.100000E-04    0.985863E+00
  79   -0.910757E-05    0.896416E+02  0.101600E-06 0.100000E-04    0.996062E+00
  80    0.220544E-04    0.850342E+02 -0.259359E-06 0.100000E-04    0.999064E+00
  81   -0.227388E-04    0.809104E+02  0.281037E-06 0.100000E-04    0.996004E+00
  82   -0.446124E-05    0.798466E+02  0.558726E-07 0.100000E-04    0.952076E+00
  83   -0.160818E-04    0.782740E+02  0.205456E-06 0.100000E-04    0.997380E+00
  84   -0.425498E-04    0.728154E+02  0.584352E-06 0.100000E-04    0.997284E+00
  85   -0.429674E-04    0.722876E+02  0.594395E-06 0.100000E-04    0.995304E+00
  86   -0.648500E-05    0.682745E+02  0.949843E-07 0.100000E-04    0.976803E+00
  87    0.435595E-04    0.663711E+02 -0.656303E-06 0.100000E-04    0.997417E+00
  88    0.624820E-05    0.631423E+02 -0.989541E-07 0.100000E-04    0.965901E+00
  89    0.449370E-04    0.600378E+02 -0.748478E-06 0.100000E-04    0.985118E+00
  90   -0.472338E-04    0.597169E+02  0.790963E-06 0.100000E-04    0.989426E+00
  91   -0.894794E-05    0.590721E+02  0.151475E-06 0.100000E-04    0.981730E+00
  92   -0.620626E-04    0.560443E+02  0.110739E-05 0.100000E-04    0.999893E+00
  93    0.246861E-04    0.527340E+02 -0.468125E-06 0.100000E-04    0.987523E+00
  94    0.494794E-04    0.522995E+02 -0.946078E-06 0.100000E-04    0.996790E+00
  95    0.213040E-04    0.500581E+02 -0.425586E-06 0.100000E-04    0.993595E+00
  96    0.576801E-05    0.474715E+02 -0.121505E-06 0.100000E-04    0.999479E+00
  97   -0.425909E-04    0.428728E+02  0.993426E-06 0.100000E-04    0.994546E+00
  98    0.457081E-04    0.404281E+02 -0.113060E-05 0.100000E-04    0.998518E+00
  99   -0.123963E-03    0.374856E+02  0.330696E-05 0.100000E-04    0.997935E+00
 100    0.960379E-04    0.362126E+02 -0.265205E-05 0.100000E-04    0.995171E+00
 101    0.225678E-04    0.344325E+02 -0.655422E-06 0.100000E-04    0.991066E+00
 102   -0.100915E-03    0.288081E+02  0.350301E-05 0.100000E-04    0.999754E+00
 103    0.245484E-04    0.286339E+02 -0.857317E-06 0.100000E-04    0.980952E+00
 104   -0.925584E-04    0.273679E+02  0.338200E-05 0.100000E-04    0.992625E+00
 105    0.599469E-04    0.230136E+02 -0.260485E-05 0.100000E-04    0.996307E+00
 106   -0.179852E-04    0.212837E+02  0.845023E-06 0.100000E-04    0.976924E+00
 107    0.106217E-03    0.204727E+02 -0.518823E-05 0.100000E-04    0.991022E+00
 108    0.201164E-05    0.168063E+02 -0.119695E-06 0.100000E-04    0.779004E+00
 109   -0.715969E-04    0.137966E+02  0.518946E-05 0.100000E-04    0.991902E+00
 110    0.738450E-02    0.122443E+02 -0.100000E-04 0.100000E-04    0.446301E+00
 111   -0.308201E-02    0.991496E+01  0.100000E-04 0.100000E-04    0.696873E+00
 112    0.794801E-02    0.882838E+01 -0.118810E-04 0.118810E-04    0.133120E+00
 113   -0.227904E-01    0.703252E+01  0.166954E-04 0.166954E-04    0.249701E+00
 114    0.680748E+00    0.415053E+01  0.400000E-03 0.400000E-03    0.673718E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1598251804    

 Beginning of optimization cycle  347.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3519181173
 potential> RMS force:                                               0.0639569945   |gradient|=.6828738350    
 Eigenvalues of the Hessian matrix:
   734.53623    673.73642    627.17941    604.00152    588.09086    572.23215 
   567.00456    483.38908    464.62433    461.18140    441.42135    429.53973 
   421.90403    408.10105    397.30061    388.80498    368.03955    361.59070 
   350.70842    335.86471    326.16599    321.43160    320.29795    312.24290 
   303.72852    288.74942    278.69383    270.83102    267.03811    264.34910 
   259.85506    253.93324    242.18763    238.47342    234.84991    228.43466 
   219.80921    213.90078    212.40983    207.27508    203.57010    197.38752 
   195.21454    191.50045    184.10526    174.89970    171.94354    167.56535 
   164.90608    158.82177    154.05002    151.42940    148.51313    143.30886 
   137.15743    135.86035    130.64111    128.13049    126.15738    125.52276 
   119.77063    118.08404    117.04507    110.93020    107.75130    104.71075 
   103.09229     99.75747     95.83033     94.67447     93.13505     90.56081 
    89.63651     85.03711     80.91014     79.84880     78.27279     72.81749 
    72.29237     68.27389     66.35875     63.13793     60.03171     59.71547 
    59.07211     56.04464     52.73095     52.30027     50.05703     47.46663 
    42.87233     40.43071     37.48989     36.21559     34.42043     28.80770 
    28.63265     27.35991     23.01544     21.27721     20.47716     16.80577 
    13.79706     12.24405      9.91641      8.82238      7.02541      4.14544 
overlap for current and previous eigenvector    109 is         0.9999996915
overlap for current and previous eigenvector    110 is         0.9999995450
overlap for current and previous eigenvector    111 is         0.9999989249
overlap for current and previous eigenvector    112 is         0.9999936096
overlap for current and previous eigenvector    113 is        -0.9999944803
overlap for current and previous eigenvector    114 is        -0.9999997259
J1,K1,R1,R2,RAT=   7   7   -0.7274365959E-02     2.007102807        0.9927256340    
FOB,PFOB,DIAG,PSTEP=   -0.4772352697E-05   -0.4737884634E-05     734.5362289        0.6450724820E-08
J1,K1,R1,R2,RAT=   8   8    0.1530524780E-02     1.998444211        0.9984442115    
FOB,PFOB,DIAG,PSTEP=   -0.5104345182E-05   -0.5112169583E-05     673.7364173        0.7587884562E-08
J1,K1,R1,R2,RAT=   9   9   -0.3332788520E-01     2.033288796        0.9666721148    
FOB,PFOB,DIAG,PSTEP=   -0.3951448334E-06   -0.3824000009E-06     627.1794067        0.6097258151E-09
J1,K1,R1,R2,RAT=  10  10   -0.1872025599E-01     2.018751785        0.9812797440    
FOB,PFOB,DIAG,PSTEP=    0.2134471635E-05    0.2095248662E-05     604.0015238       -0.3468891302E-08
J1,K1,R1,R2,RAT=  11  11   -0.4695320071E-02     2.004728621        0.9953046799    
FOB,PFOB,DIAG,PSTEP=   -0.1530090253E-05   -0.1522939683E-05     588.0908618        0.2589590189E-08
J1,K1,R1,R2,RAT= 109 109   -0.9956142287E-03     2.000930949        0.9990043858    
FOB,PFOB,DIAG,PSTEP=   -0.7166822710E-04   -0.7159694186E-04     13.79705696        0.5189458667E-05
J1,K1,R1,R2,RAT= 110 110   -0.5659088436         121.1877063        0.4340911564    
FOB,PFOB,DIAG,PSTEP=    0.7453789088E-02    0.7384498905E-02     12.24405383       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3019059693         61.85783626        0.6980940307    
FOB,PFOB,DIAG,PSTEP=   -0.3052070571E-02   -0.3082008818E-02     9.916414409        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7044099956         152.3568824        0.2955900044    
FOB,PFOB,DIAG,PSTEP=    0.8021840744E-02    0.7948005424E-02     8.822377958       -0.1188100000E-04
J1,K1,R1,R2,RAT= 113 113     389.5305835       -0.9198037004        0.8019629961E-01
FOB,PFOB,DIAG,PSTEP=    0.2289833100E-01   -0.2279044549E-01     7.025412757        0.1669537283E-04
J1,K1,R1,R2,RAT= 114 114    -822.0730872        0.9932860295        0.6713970530E-02
FOB,PFOB,DIAG,PSTEP=   -0.6823950443        0.6807479998         4.145443591        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001      0.00002 
    -0.00002      0.00001     -0.00001     -0.00002      0.00000     -0.00002 
    -0.00003      0.00003     -0.00002      0.00003     -0.00002     -0.00002 
    -0.00001      0.00001     -0.00001      0.00003      0.00001     -0.00006 
    -0.00003     -0.00003      0.00008      0.00000      0.00006      0.00000 
    -0.00001      0.00002     -0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004     -0.00001      0.00004      0.00001      0.00004     -0.00005 
    -0.00001     -0.00006      0.00002      0.00005      0.00002     -0.00001 
     0.00004      0.00005     -0.00012     -0.00010      0.00002     -0.00010 
     0.00002      0.00009     -0.00006     -0.00002     -0.00011      0.00000 
    -0.00007      0.00745     -0.00305      0.00802      0.02290     -0.68240 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4231123846
 Log product of positive Hessian eigenvalues =          519.7504611200
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1454435906
 Unscaled step for mode    7=        0.0000000065
 Unscaled step for mode    8=        0.0000000076
 Unscaled step for mode    9=        0.0000000006
 Unscaled step for mode   10=       -0.0000000035
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000049
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000018
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000138
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000400
 Unscaled step for mode   20=       -0.0000000176
 Unscaled step for mode   21=       -0.0000000175
 Unscaled step for mode   22=        0.0000000205
 Unscaled step for mode   23=       -0.0000000018
 Unscaled step for mode   24=        0.0000000065
 Unscaled step for mode   25=        0.0000000589
 Unscaled step for mode   26=        0.0000001000
 Unscaled step for mode   27=        0.0000000517
 Unscaled step for mode   28=       -0.0000000451
 Unscaled step for mode   29=       -0.0000000399
 Unscaled step for mode   30=        0.0000000800
 Unscaled step for mode   31=        0.0000000523
 Unscaled step for mode   32=        0.0000000238
 Unscaled step for mode   33=       -0.0000000446
 Unscaled step for mode   34=       -0.0000000425
 Unscaled step for mode   35=       -0.0000000901
 Unscaled step for mode   36=       -0.0000000702
 Unscaled step for mode   37=        0.0000000724
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000818
 Unscaled step for mode   40=        0.0000000571
 Unscaled step for mode   41=        0.0000001709
 Unscaled step for mode   42=        0.0000000565
 Unscaled step for mode   43=        0.0000000695
 Unscaled step for mode   44=        0.0000001257
 Unscaled step for mode   45=       -0.0000000042
 Unscaled step for mode   46=       -0.0000001245
 Unscaled step for mode   47=        0.0000001467
 Unscaled step for mode   48=       -0.0000000268
 Unscaled step for mode   49=        0.0000001316
 Unscaled step for mode   50=       -0.0000000492
 Unscaled step for mode   51=        0.0000000899
 Unscaled step for mode   52=        0.0000000219
 Unscaled step for mode   53=        0.0000000776
 Unscaled step for mode   54=       -0.0000001100
 Unscaled step for mode   55=        0.0000001246
 Unscaled step for mode   56=       -0.0000000375
 Unscaled step for mode   57=        0.0000000713
 Unscaled step for mode   58=        0.0000001624
 Unscaled step for mode   59=       -0.0000000136
 Unscaled step for mode   60=        0.0000001596
 Unscaled step for mode   61=        0.0000002126
 Unscaled step for mode   62=       -0.0000002139
 Unscaled step for mode   63=        0.0000001748
 Unscaled step for mode   64=       -0.0000002198
 Unscaled step for mode   65=        0.0000001626
 Unscaled step for mode   66=        0.0000001531
 Unscaled step for mode   67=        0.0000000667
 Unscaled step for mode   68=       -0.0000000788
 Unscaled step for mode   69=        0.0000000525
 Unscaled step for mode   70=       -0.0000002434
 Unscaled step for mode   71=       -0.0000000556
 Unscaled step for mode   72=        0.0000005844
 Unscaled step for mode   73=        0.0000002764
 Unscaled step for mode   74=        0.0000002831
 Unscaled step for mode   75=       -0.0000007977
 Unscaled step for mode   76=       -0.0000000415
 Unscaled step for mode   77=       -0.0000005985
 Unscaled step for mode   78=       -0.0000000508
 Unscaled step for mode   79=        0.0000001020
 Unscaled step for mode   80=       -0.0000002589
 Unscaled step for mode   81=        0.0000002819
 Unscaled step for mode   82=        0.0000000565
 Unscaled step for mode   83=        0.0000002040
 Unscaled step for mode   84=        0.0000005887
 Unscaled step for mode   85=        0.0000005962
 Unscaled step for mode   86=        0.0000000979
 Unscaled step for mode   87=       -0.0000006570
 Unscaled step for mode   88=       -0.0000001006
 Unscaled step for mode   89=       -0.0000007376
 Unscaled step for mode   90=        0.0000008062
 Unscaled step for mode   91=        0.0000001570
 Unscaled step for mode   92=        0.0000011053
 Unscaled step for mode   93=       -0.0000004657
 Unscaled step for mode   94=       -0.0000009512
 Unscaled step for mode   95=       -0.0000004274
 Unscaled step for mode   96=        0.0000001171
 Unscaled step for mode   97=       -0.0000010009
 Unscaled step for mode   98=       -0.0000011367
 Unscaled step for mode   99=        0.0000033184
 Unscaled step for mode  100=        0.0000026448
 Unscaled step for mode  101=       -0.0000006697
 Unscaled step for mode  102=        0.0000035155
 Unscaled step for mode  103=       -0.0000008687
 Unscaled step for mode  104=       -0.0000034192
 Unscaled step for mode  105=        0.0000026102
 Unscaled step for mode  106=        0.0000009135
 Unscaled step for mode  107=        0.0000051446
 Unscaled step for mode  108=       -0.0000001653
 Unscaled step for mode  109=        0.0000051945
 Unscaled step for mode  110=       -0.0006087679
 Unscaled step for mode  111=        0.0003077796
 Unscaled step for mode  112=       -0.0009092599
 Unscaled step for mode  113=       -0.0032593228
 Unscaled step for mode  114=       -0.1603791775
 Largest modulus ratio of non-zero e/values=           177.1912252    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.245247E-15    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.117983E-14    0.100707E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.656479E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.153957E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.173581E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.207001E-15    0.973926E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.477235E-05    0.734536E+03  0.649710E-08 0.100000E-04    0.992726E+00
   8   -0.510435E-05    0.673736E+03  0.757618E-08 0.100000E-04    0.998444E+00
   9   -0.395145E-06    0.627179E+03  0.630035E-09 0.100000E-04    0.966672E+00
  10    0.213447E-05    0.604002E+03 -0.353388E-08 0.100000E-04    0.981280E+00
  11   -0.153009E-05    0.588091E+03  0.260179E-08 0.100000E-04    0.995305E+00
  12   -0.282459E-05    0.572232E+03  0.493609E-08 0.100000E-04    0.994316E+00
  13   -0.356686E-05    0.567005E+03  0.629071E-08 0.100000E-04    0.993512E+00
  14   -0.888369E-06    0.483389E+03  0.183779E-08 0.100000E-04    0.971759E+00
  15    0.184676E-05    0.464624E+03 -0.397473E-08 0.100000E-04    0.989421E+00
  16    0.636139E-05    0.461181E+03 -0.137937E-07 0.100000E-04    0.994651E+00
  17    0.455640E-05    0.441421E+03 -0.103221E-07 0.100000E-04    0.992049E+00
  18    0.500226E-05    0.429540E+03 -0.116456E-07 0.100000E-04    0.997833E+00
  19   -0.168882E-04    0.421904E+03  0.400286E-07 0.100000E-04    0.996658E+00
  20    0.718073E-05    0.408101E+03 -0.175955E-07 0.100000E-04    0.999333E+00
  21    0.694078E-05    0.397301E+03 -0.174699E-07 0.100000E-04    0.999584E+00
  22   -0.796753E-05    0.388805E+03  0.204924E-07 0.100000E-04    0.992810E+00
  23    0.660488E-06    0.368040E+03 -0.179461E-08 0.100000E-04    0.976093E+00
  24   -0.233684E-05    0.361591E+03  0.646268E-08 0.100000E-04    0.983648E+00
  25   -0.206741E-04    0.350708E+03  0.589496E-07 0.100000E-04    0.998035E+00
  26   -0.335818E-04    0.335865E+03  0.999860E-07 0.100000E-04    0.997651E+00
  27   -0.168652E-04    0.326166E+03  0.517073E-07 0.100000E-04    0.999066E+00
  28    0.144820E-04    0.321432E+03 -0.450548E-07 0.100000E-04    0.997332E+00
  29    0.127802E-04    0.320298E+03 -0.399011E-07 0.100000E-04    0.981364E+00
  30   -0.249705E-04    0.312243E+03  0.799714E-07 0.100000E-04    0.998395E+00
  31   -0.158965E-04    0.303729E+03  0.523380E-07 0.100000E-04    0.997383E+00
  32   -0.686078E-05    0.288749E+03  0.237603E-07 0.100000E-04    0.992089E+00
  33    0.124310E-04    0.278694E+03 -0.446044E-07 0.100000E-04    0.993360E+00
  34    0.115160E-04    0.270831E+03 -0.425209E-07 0.100000E-04    0.991340E+00
  35    0.240622E-04    0.267038E+03 -0.901079E-07 0.100000E-04    0.998832E+00
  36    0.185555E-04    0.264349E+03 -0.701931E-07 0.100000E-04    0.996535E+00
  37   -0.188252E-04    0.259855E+03  0.724450E-07 0.100000E-04    0.997166E+00
  38   -0.149908E-06    0.253933E+03  0.590342E-09 0.100000E-04    0.733941E+00
  39   -0.198020E-04    0.242188E+03  0.817632E-07 0.100000E-04    0.997307E+00
  40   -0.136207E-04    0.238473E+03  0.571163E-07 0.100000E-04    0.985787E+00
  41   -0.401387E-04    0.234850E+03  0.170912E-06 0.100000E-04    0.997587E+00
  42   -0.129087E-04    0.228435E+03  0.565094E-07 0.100000E-04    0.996114E+00
  43   -0.152730E-04    0.219809E+03  0.694831E-07 0.100000E-04    0.997585E+00
  44   -0.268825E-04    0.213901E+03  0.125677E-06 0.100000E-04    0.996725E+00
  45    0.884159E-06    0.212410E+03 -0.416251E-08 0.100000E-04    0.901922E+00
  46    0.258154E-04    0.207275E+03 -0.124546E-06 0.100000E-04    0.996245E+00
  47   -0.298620E-04    0.203570E+03  0.146692E-06 0.100000E-04    0.998776E+00
  48    0.528637E-05    0.197388E+03 -0.267817E-07 0.100000E-04    0.992862E+00
  49   -0.256825E-04    0.195215E+03  0.131560E-06 0.100000E-04    0.999530E+00
  50    0.942701E-05    0.191500E+03 -0.492271E-07 0.100000E-04    0.985406E+00
  51   -0.165501E-04    0.184105E+03  0.898945E-07 0.100000E-04    0.999687E+00
  52   -0.382179E-05    0.174900E+03  0.218513E-07 0.100000E-04    0.995395E+00
  53   -0.133465E-04    0.171944E+03  0.776212E-07 0.100000E-04    0.997140E+00
  54    0.184289E-04    0.167565E+03 -0.109981E-06 0.100000E-04    0.997854E+00
  55   -0.205533E-04    0.164906E+03  0.124636E-06 0.100000E-04    0.999232E+00
  56    0.596219E-05    0.158822E+03 -0.375402E-07 0.100000E-04    0.992045E+00
  57   -0.109843E-04    0.154050E+03  0.713032E-07 0.100000E-04    0.993528E+00
  58   -0.245940E-04    0.151429E+03  0.162412E-06 0.100000E-04    0.998291E+00
  59    0.202622E-05    0.148513E+03 -0.136434E-07 0.100000E-04    0.949204E+00
  60   -0.228740E-04    0.143309E+03  0.159613E-06 0.100000E-04    0.999484E+00
  61   -0.291640E-04    0.137157E+03  0.212632E-06 0.100000E-04    0.992372E+00
  62    0.290671E-04    0.135860E+03 -0.213948E-06 0.100000E-04    0.999225E+00
  63   -0.228404E-04    0.130641E+03  0.174833E-06 0.100000E-04    0.995667E+00
  64    0.281654E-04    0.128130E+03 -0.219818E-06 0.100000E-04    0.994844E+00
  65   -0.205085E-04    0.126157E+03  0.162563E-06 0.100000E-04    0.990074E+00
  66   -0.192193E-04    0.125523E+03  0.153114E-06 0.100000E-04    0.996323E+00
  67   -0.798472E-05    0.119771E+03  0.666667E-07 0.100000E-04    0.999005E+00
  68    0.930400E-05    0.118084E+03 -0.787913E-07 0.100000E-04    0.998014E+00
  69   -0.614879E-05    0.117045E+03  0.525335E-07 0.100000E-04    0.988440E+00
  70    0.270024E-04    0.110930E+03 -0.243418E-06 0.100000E-04    0.998952E+00
  71    0.598989E-05    0.107751E+03 -0.555899E-07 0.100000E-04    0.997073E+00
  72   -0.611969E-04    0.104711E+03  0.584437E-06 0.100000E-04    0.994434E+00
  73   -0.284967E-04    0.103092E+03  0.276419E-06 0.100000E-04    0.997979E+00
  74   -0.282383E-04    0.997575E+02  0.283070E-06 0.100000E-04    0.998226E+00
  75    0.764393E-04    0.958303E+02 -0.797652E-06 0.100000E-04    0.997279E+00
  76    0.392579E-05    0.946745E+02 -0.414661E-07 0.100000E-04    0.814654E+00
  77    0.557449E-04    0.931351E+02 -0.598538E-06 0.100000E-04    0.996535E+00
  78    0.460001E-05    0.905608E+02 -0.507947E-07 0.100000E-04    0.996323E+00
  79   -0.914151E-05    0.896365E+02  0.101984E-06 0.100000E-04    0.996273E+00
  80    0.220189E-04    0.850371E+02 -0.258933E-06 0.100000E-04    0.998323E+00
  81   -0.228066E-04    0.809101E+02  0.281876E-06 0.100000E-04    0.997018E+00
  82   -0.451514E-05    0.798488E+02  0.565461E-07 0.100000E-04    0.987918E+00
  83   -0.159672E-04    0.782728E+02  0.203994E-06 0.100000E-04    0.992872E+00
  84   -0.428673E-04    0.728175E+02  0.588696E-06 0.100000E-04    0.992537E+00
  85   -0.430975E-04    0.722924E+02  0.596155E-06 0.100000E-04    0.996973E+00
  86   -0.668141E-05    0.682739E+02  0.978618E-07 0.100000E-04    0.969714E+00
  87    0.436005E-04    0.663587E+02 -0.657042E-06 0.100000E-04    0.999059E+00
  88    0.634939E-05    0.631379E+02 -0.100564E-06 0.100000E-04    0.983804E+00
  89    0.442813E-04    0.600317E+02 -0.737632E-06 0.100000E-04    0.985408E+00
  90   -0.481448E-04    0.597155E+02  0.806237E-06 0.100000E-04    0.980713E+00
  91   -0.927575E-05    0.590721E+02  0.157024E-06 0.100000E-04    0.963365E+00
  92   -0.619471E-04    0.560446E+02  0.110532E-05 0.100000E-04    0.998126E+00
  93    0.245562E-04    0.527309E+02 -0.465688E-06 0.100000E-04    0.994737E+00
  94    0.497472E-04    0.523003E+02 -0.951184E-06 0.100000E-04    0.994588E+00
  95    0.213949E-04    0.500570E+02 -0.427411E-06 0.100000E-04    0.995734E+00
  96   -0.555974E-05    0.474666E+02  0.117130E-06 0.100000E-04    0.963888E+00
  97    0.429105E-04    0.428723E+02 -0.100089E-05 0.100000E-04    0.992496E+00
  98    0.459572E-04    0.404307E+02 -0.113669E-05 0.100000E-04    0.994552E+00
  99   -0.124405E-03    0.374899E+02  0.331837E-05 0.100000E-04    0.996435E+00
 100   -0.957820E-04    0.362156E+02  0.264477E-05 0.100000E-04    0.997173E+00
 101    0.230520E-04    0.344204E+02 -0.669718E-06 0.100000E-04    0.978538E+00
 102   -0.101275E-03    0.288077E+02  0.351555E-05 0.100000E-04    0.996434E+00
 103    0.248727E-04    0.286326E+02 -0.868685E-06 0.100000E-04    0.986785E+00
 104    0.935482E-04    0.273599E+02 -0.341917E-05 0.100000E-04    0.989303E+00
 105   -0.600740E-04    0.230154E+02  0.261016E-05 0.100000E-04    0.997880E+00
 106   -0.194362E-04    0.212772E+02  0.913473E-06 0.100000E-04    0.919299E+00
 107   -0.105346E-03    0.204772E+02  0.514458E-05 0.100000E-04    0.991369E+00
 108    0.277828E-05    0.168058E+02 -0.165317E-06 0.100000E-04    0.618884E+00
 109   -0.716682E-04    0.137971E+02  0.519446E-05 0.100000E-04    0.999004E+00
 110    0.745379E-02    0.122441E+02 -0.100000E-04 0.100000E-04    0.434091E+00
 111   -0.305207E-02    0.991641E+01  0.100000E-04 0.100000E-04    0.698094E+00
 112    0.802184E-02    0.882238E+01 -0.107036E-04 0.107036E-04    0.295590E+00
 113    0.228983E-01    0.702541E+01 -0.181980E-04 0.181980E-04    0.801963E-01
 114   -0.682395E+00    0.414544E+01 -0.400000E-03 0.400000E-03    0.671397E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1603791775    

 Beginning of optimization cycle  348.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3516454342
 potential> RMS force:                                               0.0641114096   |gradient|=.6845225366    
 Eigenvalues of the Hessian matrix:
   734.59926    673.74474    627.19160    603.99215    588.08095    572.27518 
   567.00875    483.41497    464.60107    461.17492    441.42320    429.53245 
   421.90768    408.10820    397.29554    388.80328    368.04753    361.58216 
   350.70115    335.84857    326.17984    321.43118    320.29887    312.22047 
   303.71539    288.75889    278.68894    270.83583    267.04678    264.35558 
   259.87087    253.93408    242.18335    238.48620    234.83742    228.43002 
   219.78835    213.90848    212.41623    207.27097    203.57077    197.38015 
   195.21106    191.49887    184.09534    174.88927    171.94894    167.56654 
   164.89837    158.81095    154.05516    151.43512    148.50443    143.31110 
   137.16045    135.86262    130.63952    128.13510    126.16054    125.51938 
   119.77239    118.08487    117.04642    110.92455    107.74362    104.70786 
   103.09243     99.75631     95.82689     94.66388     93.14712     90.56483 
    89.63138     85.04004     80.90987     79.85106     78.27160     72.81956 
    72.29705     68.27324     66.34643     63.13343     60.02578     59.71387 
    59.07201     56.04496     52.72791     52.30097     50.05598     47.46170 
    42.87192     40.43328     37.49409     36.21840     34.40831     28.80730 
    28.63137     27.35188     23.01736     21.27076     20.48153     16.80517 
    13.79750     12.24385      9.91788      8.81639      7.01824      4.14035 
overlap for current and previous eigenvector    109 is        -0.9999996899
overlap for current and previous eigenvector    110 is         0.9999995443
overlap for current and previous eigenvector    111 is        -0.9999989425
overlap for current and previous eigenvector    112 is         0.9999936256
overlap for current and previous eigenvector    113 is        -0.9999944775
overlap for current and previous eigenvector    114 is         0.9999997262
J1,K1,R1,R2,RAT=   7   7   -0.5801823654E-02     2.005630206        0.9941981763    
FOB,PFOB,DIAG,PSTEP=   -0.4800043422E-05   -0.4772352697E-05     734.5992639        0.6497096412E-08
J1,K1,R1,R2,RAT=   8   8   -0.8487490220E-02     2.008462799        0.9915125098    
FOB,PFOB,DIAG,PSTEP=   -0.5147668796E-05   -0.5104345182E-05     673.7447351        0.7576175268E-08
J1,K1,R1,R2,RAT=   9   9   -0.1338668809E-01     2.013347795        0.9866133119    
FOB,PFOB,DIAG,PSTEP=   -0.4004346169E-06   -0.3951448334E-06     627.1916033        0.6300347702E-09
J1,K1,R1,R2,RAT=  10  10    0.9920952943E-02     1.990110097        0.9900790471    
FOB,PFOB,DIAG,PSTEP=    0.2113295972E-05    0.2134471635E-05     603.9921469       -0.3533884521E-08
J1,K1,R1,R2,RAT=  11  11   -0.7397631365E-02     2.007431355        0.9926023686    
FOB,PFOB,DIAG,PSTEP=   -0.1541409106E-05   -0.1530090253E-05     588.0809458        0.2601792261E-08
J1,K1,R1,R2,RAT= 109 109     1.994517007        0.5418603343E-02    0.9945170074    
FOB,PFOB,DIAG,PSTEP=    0.7127987290E-04   -0.7166822710E-04     13.79750117        0.5194457577E-05
J1,K1,R1,R2,RAT= 110 110   -0.5582330060         122.3138591        0.4417669940    
FOB,PFOB,DIAG,PSTEP=    0.7522138309E-02    0.7453789088E-02     12.24385160       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     61.23883362        0.3079930134        0.6920069866    
FOB,PFOB,DIAG,PSTEP=    0.3021524189E-02   -0.3052070571E-02     9.917881190        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8977924080         170.9112624        0.1022075920    
FOB,PFOB,DIAG,PSTEP=    0.8106562828E-02    0.8021840744E-02     8.816387757       -0.1070360360E-04
J1,K1,R1,R2,RAT= 113 113     359.3585386       -0.7811853325        0.2188146675    
FOB,PFOB,DIAG,PSTEP=   -0.2299810217E-01    0.2289833100E-01     7.018242134       -0.1819795638E-04
J1,K1,R1,R2,RAT= 114 114    0.9932119752        -825.0726350        0.6788024805E-02
FOB,PFOB,DIAG,PSTEP=   -0.6840399414       -0.6823950443         4.140347552       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
     0.00002     -0.00001     -0.00001     -0.00002      0.00000     -0.00002 
    -0.00003      0.00003     -0.00002      0.00003      0.00002      0.00002 
    -0.00001      0.00001     -0.00001      0.00003      0.00001     -0.00006 
    -0.00003     -0.00003      0.00008      0.00000     -0.00006      0.00000 
    -0.00001      0.00002     -0.00002     -0.00000     -0.00002     -0.00004 
    -0.00004     -0.00001      0.00004      0.00001      0.00004     -0.00005 
    -0.00001     -0.00006      0.00002      0.00005      0.00002     -0.00001 
     0.00004      0.00005     -0.00012     -0.00010      0.00002     -0.00010 
     0.00003      0.00009     -0.00006     -0.00002     -0.00011      0.00000 
     0.00007      0.00752      0.00302      0.00811     -0.02300     -0.68404 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4229476157
 Log product of positive Hessian eigenvalues =          519.7465322377
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1403475517
 Unscaled step for mode    7=        0.0000000065
 Unscaled step for mode    8=        0.0000000076
 Unscaled step for mode    9=        0.0000000006
 Unscaled step for mode   10=       -0.0000000035
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000050
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000017
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000138
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000401
 Unscaled step for mode   20=       -0.0000000175
 Unscaled step for mode   21=       -0.0000000174
 Unscaled step for mode   22=        0.0000000205
 Unscaled step for mode   23=       -0.0000000019
 Unscaled step for mode   24=        0.0000000065
 Unscaled step for mode   25=        0.0000000591
 Unscaled step for mode   26=        0.0000001001
 Unscaled step for mode   27=        0.0000000518
 Unscaled step for mode   28=       -0.0000000451
 Unscaled step for mode   29=       -0.0000000404
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000527
 Unscaled step for mode   32=        0.0000000238
 Unscaled step for mode   33=       -0.0000000446
 Unscaled step for mode   34=       -0.0000000427
 Unscaled step for mode   35=       -0.0000000902
 Unscaled step for mode   36=       -0.0000000704
 Unscaled step for mode   37=        0.0000000726
 Unscaled step for mode   38=        0.0000000004
 Unscaled step for mode   39=        0.0000000819
 Unscaled step for mode   40=        0.0000000577
 Unscaled step for mode   41=        0.0000001714
 Unscaled step for mode   42=        0.0000000568
 Unscaled step for mode   43=        0.0000000700
 Unscaled step for mode   44=        0.0000001264
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000001251
 Unscaled step for mode   47=        0.0000001467
 Unscaled step for mode   48=       -0.0000000269
 Unscaled step for mode   49=        0.0000001322
 Unscaled step for mode   50=       -0.0000000487
 Unscaled step for mode   51=        0.0000000904
 Unscaled step for mode   52=        0.0000000222
 Unscaled step for mode   53=        0.0000000779
 Unscaled step for mode   54=        0.0000001107
 Unscaled step for mode   55=       -0.0000001248
 Unscaled step for mode   56=        0.0000000372
 Unscaled step for mode   57=        0.0000000717
 Unscaled step for mode   58=        0.0000001627
 Unscaled step for mode   59=       -0.0000000137
 Unscaled step for mode   60=        0.0000001602
 Unscaled step for mode   61=        0.0000002130
 Unscaled step for mode   62=       -0.0000002133
 Unscaled step for mode   63=        0.0000001741
 Unscaled step for mode   64=       -0.0000002210
 Unscaled step for mode   65=       -0.0000001633
 Unscaled step for mode   66=       -0.0000001517
 Unscaled step for mode   67=        0.0000000674
 Unscaled step for mode   68=       -0.0000000788
 Unscaled step for mode   69=        0.0000000525
 Unscaled step for mode   70=       -0.0000002448
 Unscaled step for mode   71=       -0.0000000558
 Unscaled step for mode   72=        0.0000005856
 Unscaled step for mode   73=        0.0000002771
 Unscaled step for mode   74=        0.0000002820
 Unscaled step for mode   75=       -0.0000008000
 Unscaled step for mode   76=       -0.0000000470
 Unscaled step for mode   77=        0.0000005964
 Unscaled step for mode   78=       -0.0000000539
 Unscaled step for mode   79=        0.0000001007
 Unscaled step for mode   80=       -0.0000002598
 Unscaled step for mode   81=        0.0000002823
 Unscaled step for mode   82=        0.0000000593
 Unscaled step for mode   83=        0.0000002057
 Unscaled step for mode   84=        0.0000005897
 Unscaled step for mode   85=        0.0000005935
 Unscaled step for mode   86=        0.0000001010
 Unscaled step for mode   87=       -0.0000006582
 Unscaled step for mode   88=       -0.0000001009
 Unscaled step for mode   89=       -0.0000007283
 Unscaled step for mode   90=        0.0000008160
 Unscaled step for mode   91=        0.0000001608
 Unscaled step for mode   92=        0.0000011081
 Unscaled step for mode   93=       -0.0000004594
 Unscaled step for mode   94=       -0.0000009515
 Unscaled step for mode   95=       -0.0000004210
 Unscaled step for mode   96=        0.0000001160
 Unscaled step for mode   97=       -0.0000009980
 Unscaled step for mode   98=       -0.0000011395
 Unscaled step for mode   99=        0.0000033139
 Unscaled step for mode  100=        0.0000026417
 Unscaled step for mode  101=       -0.0000006683
 Unscaled step for mode  102=        0.0000035127
 Unscaled step for mode  103=       -0.0000008808
 Unscaled step for mode  104=       -0.0000034158
 Unscaled step for mode  105=        0.0000026243
 Unscaled step for mode  106=        0.0000008882
 Unscaled step for mode  107=        0.0000051597
 Unscaled step for mode  108=       -0.0000001692
 Unscaled step for mode  109=       -0.0000051661
 Unscaled step for mode  110=       -0.0006143602
 Unscaled step for mode  111=       -0.0003046542
 Unscaled step for mode  112=       -0.0009194872
 Unscaled step for mode  113=        0.0032768683
 Unscaled step for mode  114=       -0.1609341797
 Largest modulus ratio of non-zero e/values=           177.4245410    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.524971E-15    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.115207E-14    0.100707E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.697189E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.291000E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.136813E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.128136E-14    0.973928E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.480004E-05    0.734599E+03  0.653423E-08 0.100000E-04    0.994198E+00
   8   -0.514767E-05    0.673745E+03  0.764038E-08 0.100000E-04    0.991513E+00
   9   -0.400435E-06    0.627192E+03  0.638457E-09 0.100000E-04    0.986613E+00
  10    0.211330E-05    0.603992E+03 -0.349888E-08 0.100000E-04    0.990079E+00
  11   -0.154141E-05    0.588081E+03  0.262108E-08 0.100000E-04    0.992602E+00
  12   -0.287698E-05    0.572275E+03  0.502727E-08 0.100000E-04    0.981454E+00
  13   -0.359778E-05    0.567009E+03  0.634519E-08 0.100000E-04    0.991333E+00
  14   -0.835074E-06    0.483415E+03  0.172745E-08 0.100000E-04    0.939904E+00
  15    0.187507E-05    0.464601E+03 -0.403587E-08 0.100000E-04    0.984666E+00
  16    0.637095E-05    0.461175E+03 -0.138146E-07 0.100000E-04    0.998498E+00
  17    0.454676E-05    0.441423E+03 -0.103002E-07 0.100000E-04    0.997876E+00
  18    0.502225E-05    0.429532E+03 -0.116924E-07 0.100000E-04    0.996003E+00
  19   -0.169160E-04    0.421908E+03  0.400940E-07 0.100000E-04    0.998358E+00
  20    0.715062E-05    0.408108E+03 -0.175214E-07 0.100000E-04    0.995773E+00
  21    0.692326E-05    0.397296E+03 -0.174260E-07 0.100000E-04    0.997475E+00
  22   -0.798630E-05    0.388803E+03  0.205407E-07 0.100000E-04    0.997644E+00
  23    0.684103E-06    0.368048E+03 -0.185874E-08 0.100000E-04    0.964248E+00
  24   -0.235971E-05    0.361582E+03  0.652607E-08 0.100000E-04    0.990215E+00
  25   -0.207318E-04    0.350701E+03  0.591153E-07 0.100000E-04    0.997211E+00
  26   -0.336186E-04    0.335849E+03  0.100100E-06 0.100000E-04    0.998904E+00
  27   -0.169057E-04    0.326180E+03  0.518295E-07 0.100000E-04    0.997595E+00
  28    0.145048E-04    0.321431E+03 -0.451256E-07 0.100000E-04    0.998429E+00
  29    0.129526E-04    0.320299E+03 -0.404391E-07 0.100000E-04    0.986514E+00
  30   -0.250040E-04    0.312220E+03  0.800844E-07 0.100000E-04    0.998659E+00
  31   -0.160170E-04    0.303715E+03  0.527368E-07 0.100000E-04    0.992423E+00
  32   -0.687168E-05    0.288759E+03  0.237973E-07 0.100000E-04    0.998412E+00
  33    0.124264E-04    0.278689E+03 -0.445889E-07 0.100000E-04    0.999634E+00
  34    0.115600E-04    0.270836E+03 -0.426825E-07 0.100000E-04    0.996182E+00
  35    0.240976E-04    0.267047E+03 -0.902373E-07 0.100000E-04    0.998532E+00
  36    0.186150E-04    0.264356E+03 -0.704166E-07 0.100000E-04    0.996792E+00
  37   -0.188756E-04    0.259871E+03  0.726345E-07 0.100000E-04    0.997322E+00
  38   -0.105815E-06    0.253934E+03  0.416701E-09 0.100000E-04    0.705860E+00
  39   -0.198262E-04    0.242183E+03  0.818643E-07 0.100000E-04    0.998782E+00
  40   -0.137712E-04    0.238486E+03  0.577442E-07 0.100000E-04    0.988953E+00
  41   -0.402483E-04    0.234837E+03  0.171388E-06 0.100000E-04    0.997268E+00
  42   -0.129761E-04    0.228430E+03  0.568055E-07 0.100000E-04    0.994780E+00
  43   -0.153855E-04    0.219788E+03  0.700014E-07 0.100000E-04    0.992636E+00
  44   -0.270318E-04    0.213908E+03  0.126371E-06 0.100000E-04    0.994446E+00
  45    0.830434E-06    0.212416E+03 -0.390947E-08 0.100000E-04    0.939178E+00
  46    0.259310E-04    0.207271E+03 -0.125107E-06 0.100000E-04    0.995521E+00
  47   -0.298715E-04    0.203571E+03  0.146737E-06 0.100000E-04    0.999684E+00
  48    0.531759E-05    0.197380E+03 -0.269409E-07 0.100000E-04    0.994092E+00
  49   -0.258040E-04    0.195211E+03  0.132185E-06 0.100000E-04    0.995269E+00
  50    0.932006E-05    0.191499E+03 -0.486690E-07 0.100000E-04    0.988655E+00
  51   -0.166350E-04    0.184095E+03  0.903607E-07 0.100000E-04    0.994868E+00
  52   -0.387522E-05    0.174889E+03  0.221582E-07 0.100000E-04    0.986018E+00
  53   -0.133868E-04    0.171949E+03  0.778533E-07 0.100000E-04    0.996978E+00
  54   -0.185457E-04    0.167567E+03  0.110677E-06 0.100000E-04    0.993662E+00
  55    0.205716E-04    0.164898E+03 -0.124753E-06 0.100000E-04    0.999106E+00
  56   -0.590158E-05    0.158811E+03  0.371610E-07 0.100000E-04    0.989833E+00
  57   -0.110517E-04    0.154055E+03  0.717383E-07 0.100000E-04    0.993864E+00
  58   -0.246350E-04    0.151435E+03  0.162677E-06 0.100000E-04    0.998329E+00
  59    0.203352E-05    0.148504E+03 -0.136933E-07 0.100000E-04    0.996396E+00
  60   -0.229602E-04    0.143311E+03  0.160212E-06 0.100000E-04    0.996233E+00
  61   -0.292164E-04    0.137160E+03  0.213009E-06 0.100000E-04    0.998205E+00
  62    0.289793E-04    0.135863E+03 -0.213298E-06 0.100000E-04    0.996945E+00
  63   -0.227433E-04    0.130640E+03  0.174092E-06 0.100000E-04    0.995746E+00
  64    0.283237E-04    0.128135E+03 -0.221046E-06 0.100000E-04    0.994381E+00
  65    0.206078E-04    0.126161E+03 -0.163346E-06 0.100000E-04    0.995160E+00
  66    0.190409E-04    0.125519E+03 -0.151697E-06 0.100000E-04    0.990715E+00
  67   -0.806719E-05    0.119772E+03  0.673543E-07 0.100000E-04    0.989672E+00
  68    0.930849E-05    0.118085E+03 -0.788288E-07 0.100000E-04    0.999517E+00
  69   -0.614385E-05    0.117046E+03  0.524907E-07 0.100000E-04    0.999174E+00
  70    0.271513E-04    0.110925E+03 -0.244772E-06 0.100000E-04    0.994485E+00
  71    0.600676E-05    0.107744E+03 -0.557505E-07 0.100000E-04    0.997184E+00
  72   -0.613147E-04    0.104708E+03  0.585579E-06 0.100000E-04    0.998075E+00
  73   -0.285638E-04    0.103092E+03  0.277070E-06 0.100000E-04    0.997645E+00
  74   -0.281272E-04    0.997563E+02  0.281959E-06 0.100000E-04    0.996066E+00
  75    0.766641E-04    0.958269E+02 -0.800027E-06 0.100000E-04    0.997059E+00
  76    0.444721E-05    0.946639E+02 -0.469790E-07 0.100000E-04    0.867164E+00
  77   -0.555488E-04    0.931471E+02  0.596355E-06 0.100000E-04    0.996224E+00
  78    0.487739E-05    0.905648E+02 -0.538552E-07 0.100000E-04    0.939703E+00
  79   -0.902742E-05    0.896314E+02  0.100717E-06 0.100000E-04    0.987519E+00
  80    0.220894E-04    0.850400E+02 -0.259753E-06 0.100000E-04    0.996799E+00
  81   -0.228442E-04    0.809099E+02  0.282341E-06 0.100000E-04    0.998351E+00
  82   -0.473409E-05    0.798511E+02  0.592864E-07 0.100000E-04    0.951510E+00
  83   -0.161037E-04    0.782716E+02  0.205741E-06 0.100000E-04    0.991451E+00
  84   -0.429424E-04    0.728196E+02  0.589710E-06 0.100000E-04    0.998248E+00
  85   -0.429077E-04    0.722971E+02  0.593492E-06 0.100000E-04    0.995467E+00
  86   -0.689557E-05    0.682732E+02  0.101000E-06 0.100000E-04    0.967946E+00
  87    0.436681E-04    0.663464E+02 -0.658184E-06 0.100000E-04    0.998448E+00
  88    0.637239E-05    0.631334E+02 -0.100935E-06 0.100000E-04    0.996376E+00
  89    0.437182E-04    0.600258E+02 -0.728324E-06 0.100000E-04    0.987282E+00
  90   -0.487254E-04    0.597139E+02  0.815981E-06 0.100000E-04    0.987941E+00
  91   -0.950147E-05    0.590720E+02  0.160846E-06 0.100000E-04    0.975665E+00
  92   -0.621013E-04    0.560450E+02  0.110806E-05 0.100000E-04    0.997510E+00
  93    0.242220E-04    0.527279E+02 -0.459377E-06 0.100000E-04    0.986389E+00
  94    0.497625E-04    0.523010E+02 -0.951464E-06 0.100000E-04    0.999692E+00
  95    0.210719E-04    0.500560E+02 -0.420967E-06 0.100000E-04    0.984903E+00
  96   -0.550693E-05    0.474617E+02  0.116029E-06 0.100000E-04    0.990500E+00
  97    0.427853E-04    0.428719E+02 -0.997979E-06 0.100000E-04    0.997082E+00
  98    0.460729E-04    0.404333E+02 -0.113948E-05 0.100000E-04    0.997482E+00
  99   -0.124251E-03    0.374941E+02  0.331388E-05 0.100000E-04    0.998535E+00
 100   -0.956776E-04    0.362184E+02  0.264169E-05 0.100000E-04    0.998755E+00
 101    0.229954E-04    0.344083E+02 -0.668310E-06 0.100000E-04    0.997545E+00
 102   -0.101192E-03    0.288073E+02  0.351271E-05 0.100000E-04    0.999180E+00
 103    0.252173E-04    0.286314E+02 -0.880759E-06 0.100000E-04    0.986145E+00
 104    0.934285E-04    0.273519E+02 -0.341580E-05 0.100000E-04    0.998720E+00
 105   -0.604040E-04    0.230174E+02  0.262428E-05 0.100000E-04    0.994507E+00
 106   -0.188929E-04    0.212708E+02  0.888212E-06 0.100000E-04    0.972042E+00
 107   -0.105680E-03    0.204815E+02  0.515975E-05 0.100000E-04    0.996837E+00
 108    0.284385E-05    0.168052E+02 -0.169225E-06 0.100000E-04    0.976400E+00
 109    0.712799E-04    0.137975E+02 -0.516614E-05 0.100000E-04    0.994517E+00
 110    0.752214E-02    0.122439E+02 -0.100000E-04 0.100000E-04    0.441767E+00
 111    0.302152E-02    0.991788E+01 -0.100000E-04 0.100000E-04    0.692007E+00
 112    0.810656E-02    0.881639E+01 -0.116669E-04 0.116669E-04    0.102208E+00
 113   -0.229981E-01    0.701824E+01  0.163946E-04 0.163946E-04    0.218815E+00
 114   -0.684040E+00    0.414035E+01 -0.400000E-03 0.400000E-03    0.678802E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1609341797    

 Beginning of optimization cycle  349.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3513720631
 potential> RMS force:                                               0.0642656618   |gradient|=.6861694994    
 Eigenvalues of the Hessian matrix:
   734.66229    673.75323    627.20382    603.98248    588.07117    572.31801 
   567.01294    483.44096    464.57781    461.16844    441.42507    429.52504 
   421.91123    408.11531    397.29047    388.80149    368.05553    361.57361 
   350.69374    335.83250    326.19369    321.43084    320.29954    312.19812 
   303.70212    288.76836    278.68404    270.84067    267.05536    264.36195 
   259.88653    253.93484    242.17896    238.49893    234.82489    228.42526 
   219.76752    213.91609    212.42262    207.26691    203.57139    197.37274 
   195.20752    191.49731    184.08538    174.87889    171.95431    167.56771 
   164.89064    158.80015    154.06028    151.44086    148.49576    143.31338 
   137.16347    135.86483    130.63798    128.13968    126.16374    125.51598 
   119.77415    118.08571    117.04780    110.91892    107.73603    104.70502 
   103.09256     99.75518     95.82359     94.65316     93.15914     90.56882 
    89.62624     85.04296     80.90960     79.85327     78.27044     72.82170 
    72.30180     68.27267     66.33417     63.12889     60.02007     59.71215 
    59.07193     56.04531     52.72494     52.30169     50.05494     47.45680 
    42.87152     40.43587     37.49832     36.22133     34.39624     28.80691 
    28.63009     27.34386     23.01926     21.26430     20.48591     16.80458 
    13.79795     12.24365      9.91934      8.81045      7.01105      4.13524 
overlap for current and previous eigenvector    109 is         0.9999996942
overlap for current and previous eigenvector    110 is         0.9999995483
overlap for current and previous eigenvector    111 is         0.9999989911
overlap for current and previous eigenvector    112 is         0.9999937340
overlap for current and previous eigenvector    113 is         0.9999945378
overlap for current and previous eigenvector    114 is         0.9999997286
J1,K1,R1,R2,RAT=   7   7   -0.7284722971E-02     2.007113155        0.9927152770    
FOB,PFOB,DIAG,PSTEP=   -0.4835013408E-05   -0.4800043422E-05     734.6622863        0.6534233912E-08
J1,K1,R1,R2,RAT=   8   8    0.1463879992E-02     1.998510909        0.9985109089    
FOB,PFOB,DIAG,PSTEP=   -0.5140133132E-05   -0.5147668796E-05     673.7532281        0.7640384449E-08
J1,K1,R1,R2,RAT=   9   9   -0.3004572034E-01     2.030006759        0.9699542797    
FOB,PFOB,DIAG,PSTEP=   -0.4124661978E-06   -0.4004346169E-06     627.2038218        0.6384565973E-09
J1,K1,R1,R2,RAT=  10  10   -0.1796955249E-01     2.018001571        0.9820304475    
FOB,PFOB,DIAG,PSTEP=    0.2151270346E-05    0.2113295972E-05     603.9824778       -0.3498879881E-08
J1,K1,R1,R2,RAT=  11  11   -0.4431368078E-02     2.004464603        0.9955686319    
FOB,PFOB,DIAG,PSTEP=   -0.1548239544E-05   -0.1541409106E-05     588.0711735        0.2621083232E-08
J1,K1,R1,R2,RAT= 109 109   -0.4312795391E-03     2.000366145        0.9995687205    
FOB,PFOB,DIAG,PSTEP=    0.7131061545E-04    0.7127987290E-04     13.79795053       -0.5166143639E-05
J1,K1,R1,R2,RAT= 110 110   -0.5701446259         123.4442394        0.4298553741    
FOB,PFOB,DIAG,PSTEP=    0.7591944833E-02    0.7522138309E-02     12.24365204       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3066897018         60.61518290        0.6933102982    
FOB,PFOB,DIAG,PSTEP=    0.2991102592E-02    0.3021524189E-02     9.919341152       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7288489606         158.4579976        0.2711510394    
FOB,PFOB,DIAG,PSTEP=    0.8181481889E-02    0.8106562828E-02     8.810453722       -0.1166692793E-04
J1,K1,R1,R2,RAT= 113 113   -0.9518235856         401.1171429        0.4817641442E-01
FOB,PFOB,DIAG,PSTEP=   -0.2310750763E-01   -0.2299810217E-01     7.011047449        0.1639455530E-04
J1,K1,R1,R2,RAT= 114 114    0.9932422130        -828.0795879        0.6757787007E-02
FOB,PFOB,DIAG,PSTEP=   -0.6856828590       -0.6840399414         4.135238993       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
     0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00003     -0.00003      0.00002     -0.00003      0.00002      0.00002 
    -0.00001      0.00001     -0.00001      0.00003     -0.00001      0.00006 
    -0.00003      0.00003      0.00008      0.00001      0.00006      0.00000 
     0.00001      0.00002     -0.00002      0.00000     -0.00002     -0.00004 
    -0.00004     -0.00001     -0.00004     -0.00001     -0.00004      0.00005 
    -0.00001     -0.00006      0.00002      0.00005      0.00002      0.00001 
    -0.00004     -0.00005      0.00012     -0.00010     -0.00002      0.00010 
     0.00003     -0.00009     -0.00006     -0.00002     -0.00010     -0.00000 
     0.00007      0.00759      0.00299      0.00818     -0.02311     -0.68568 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4227770054
 Log product of positive Hessian eigenvalues =          519.7426111285
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1352389925
 Unscaled step for mode    7=        0.0000000066
 Unscaled step for mode    8=        0.0000000076
 Unscaled step for mode    9=        0.0000000007
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000051
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000017
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000139
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000402
 Unscaled step for mode   20=       -0.0000000175
 Unscaled step for mode   21=       -0.0000000174
 Unscaled step for mode   22=        0.0000000207
 Unscaled step for mode   23=       -0.0000000018
 Unscaled step for mode   24=        0.0000000066
 Unscaled step for mode   25=        0.0000000592
 Unscaled step for mode   26=        0.0000001003
 Unscaled step for mode   27=        0.0000000519
 Unscaled step for mode   28=       -0.0000000452
 Unscaled step for mode   29=       -0.0000000412
 Unscaled step for mode   30=        0.0000000800
 Unscaled step for mode   31=        0.0000000529
 Unscaled step for mode   32=        0.0000000240
 Unscaled step for mode   33=       -0.0000000449
 Unscaled step for mode   34=       -0.0000000430
 Unscaled step for mode   35=       -0.0000000901
 Unscaled step for mode   36=       -0.0000000706
 Unscaled step for mode   37=        0.0000000728
 Unscaled step for mode   38=        0.0000000002
 Unscaled step for mode   39=        0.0000000821
 Unscaled step for mode   40=        0.0000000585
 Unscaled step for mode   41=        0.0000001718
 Unscaled step for mode   42=        0.0000000570
 Unscaled step for mode   43=        0.0000000702
 Unscaled step for mode   44=        0.0000001268
 Unscaled step for mode   45=       -0.0000000043
 Unscaled step for mode   46=       -0.0000001256
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000272
 Unscaled step for mode   49=        0.0000001323
 Unscaled step for mode   50=       -0.0000000494
 Unscaled step for mode   51=        0.0000000903
 Unscaled step for mode   52=        0.0000000223
 Unscaled step for mode   53=        0.0000000781
 Unscaled step for mode   54=        0.0000001109
 Unscaled step for mode   55=       -0.0000001249
 Unscaled step for mode   56=        0.0000000374
 Unscaled step for mode   57=       -0.0000000722
 Unscaled step for mode   58=        0.0000001630
 Unscaled step for mode   59=        0.0000000143
 Unscaled step for mode   60=        0.0000001603
 Unscaled step for mode   61=       -0.0000002146
 Unscaled step for mode   62=        0.0000002131
 Unscaled step for mode   63=       -0.0000001748
 Unscaled step for mode   64=        0.0000002222
 Unscaled step for mode   65=       -0.0000001649
 Unscaled step for mode   66=       -0.0000001512
 Unscaled step for mode   67=        0.0000000674
 Unscaled step for mode   68=       -0.0000000790
 Unscaled step for mode   69=        0.0000000531
 Unscaled step for mode   70=       -0.0000002445
 Unscaled step for mode   71=        0.0000000559
 Unscaled step for mode   72=       -0.0000005888
 Unscaled step for mode   73=        0.0000002776
 Unscaled step for mode   74=       -0.0000002824
 Unscaled step for mode   75=       -0.0000008021
 Unscaled step for mode   76=       -0.0000000534
 Unscaled step for mode   77=       -0.0000005943
 Unscaled step for mode   78=       -0.0000000541
 Unscaled step for mode   79=       -0.0000001011
 Unscaled step for mode   80=       -0.0000002594
 Unscaled step for mode   81=        0.0000002831
 Unscaled step for mode   82=       -0.0000000600
 Unscaled step for mode   83=        0.0000002044
 Unscaled step for mode   84=        0.0000005940
 Unscaled step for mode   85=        0.0000005952
 Unscaled step for mode   86=        0.0000001039
 Unscaled step for mode   87=        0.0000006590
 Unscaled step for mode   88=        0.0000001025
 Unscaled step for mode   89=        0.0000007163
 Unscaled step for mode   90=       -0.0000008313
 Unscaled step for mode   91=        0.0000001668
 Unscaled step for mode   92=        0.0000011061
 Unscaled step for mode   93=       -0.0000004568
 Unscaled step for mode   94=       -0.0000009565
 Unscaled step for mode   95=       -0.0000004227
 Unscaled step for mode   96=       -0.0000001118
 Unscaled step for mode   97=        0.0000010055
 Unscaled step for mode   98=        0.0000011455
 Unscaled step for mode   99=       -0.0000033249
 Unscaled step for mode  100=        0.0000026343
 Unscaled step for mode  101=        0.0000006826
 Unscaled step for mode  102=       -0.0000035247
 Unscaled step for mode  103=       -0.0000008917
 Unscaled step for mode  104=        0.0000034516
 Unscaled step for mode  105=        0.0000026290
 Unscaled step for mode  106=        0.0000009555
 Unscaled step for mode  107=        0.0000051156
 Unscaled step for mode  108=        0.0000002169
 Unscaled step for mode  109=       -0.0000051682
 Unscaled step for mode  110=       -0.0006200717
 Unscaled step for mode  111=       -0.0003015424
 Unscaled step for mode  112=       -0.0009286099
 Unscaled step for mode  113=        0.0032958352
 Unscaled step for mode  114=       -0.1614902702
 Largest modulus ratio of non-zero e/values=           177.6589666    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.216190E-15    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.128554E-14    0.100706E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.726415E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.519550E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.274507E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.340629E-15    0.973930E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.483501E-05    0.734662E+03  0.658127E-08 0.100000E-04    0.992715E+00
   8   -0.514013E-05    0.673753E+03  0.762910E-08 0.100000E-04    0.998511E+00
   9   -0.412466E-06    0.627204E+03  0.657627E-09 0.100000E-04    0.969954E+00
  10    0.215127E-05    0.603982E+03 -0.356181E-08 0.100000E-04    0.982030E+00
  11   -0.154824E-05    0.588071E+03  0.263274E-08 0.100000E-04    0.995569E+00
  12   -0.289077E-05    0.572318E+03  0.505098E-08 0.100000E-04    0.995209E+00
  13   -0.357496E-05    0.567013E+03  0.630490E-08 0.100000E-04    0.993644E+00
  14   -0.810756E-06    0.483441E+03  0.167705E-08 0.100000E-04    0.970773E+00
  15    0.185707E-05    0.464578E+03 -0.399733E-08 0.100000E-04    0.990399E+00
  16    0.640608E-05    0.461168E+03 -0.138910E-07 0.100000E-04    0.994485E+00
  17    0.457931E-05    0.441425E+03 -0.103739E-07 0.100000E-04    0.992840E+00
  18    0.501528E-05    0.429525E+03 -0.116763E-07 0.100000E-04    0.998611E+00
  19   -0.169736E-04    0.421911E+03  0.402302E-07 0.100000E-04    0.996595E+00
  20    0.714506E-05    0.408115E+03 -0.175075E-07 0.100000E-04    0.999187E+00
  21    0.692520E-05    0.397290E+03 -0.174311E-07 0.100000E-04    0.999719E+00
  22   -0.804058E-05    0.388801E+03  0.206804E-07 0.100000E-04    0.993203E+00
  23    0.667426E-06    0.368056E+03 -0.181338E-08 0.100000E-04    0.975579E+00
  24   -0.239918E-05    0.361574E+03  0.663538E-08 0.100000E-04    0.983273E+00
  25   -0.207746E-04    0.350694E+03  0.592385E-07 0.100000E-04    0.997936E+00
  26   -0.336951E-04    0.335832E+03  0.100333E-06 0.100000E-04    0.997723E+00
  27   -0.169194E-04    0.326194E+03  0.518692E-07 0.100000E-04    0.999192E+00
  28    0.145397E-04    0.321431E+03 -0.452342E-07 0.100000E-04    0.997594E+00
  29    0.131916E-04    0.320300E+03 -0.411851E-07 0.100000E-04    0.981550E+00
  30   -0.249607E-04    0.312198E+03  0.799515E-07 0.100000E-04    0.998268E+00
  31   -0.160612E-04    0.303702E+03  0.528846E-07 0.100000E-04    0.997242E+00
  32   -0.692005E-05    0.288768E+03  0.239640E-07 0.100000E-04    0.992961E+00
  33    0.125083E-04    0.278684E+03 -0.448835E-07 0.100000E-04    0.993409E+00
  34    0.116577E-04    0.270841E+03 -0.430428E-07 0.100000E-04    0.991542E+00
  35    0.240696E-04    0.267055E+03 -0.901296E-07 0.100000E-04    0.998774E+00
  36    0.186682E-04    0.264362E+03 -0.706162E-07 0.100000E-04    0.997141E+00
  37   -0.189292E-04    0.259887E+03  0.728364E-07 0.100000E-04    0.997160E+00
  38   -0.501577E-07    0.253935E+03  0.197522E-09 0.100000E-04    0.474010E+00
  39   -0.198772E-04    0.242179E+03  0.820767E-07 0.100000E-04    0.997423E+00
  40   -0.139610E-04    0.238499E+03  0.585369E-07 0.100000E-04    0.986219E+00
  41   -0.403411E-04    0.234825E+03  0.171792E-06 0.100000E-04    0.997695E+00
  42   -0.130237E-04    0.228425E+03  0.570151E-07 0.100000E-04    0.996331E+00
  43   -0.154210E-04    0.219768E+03  0.701694E-07 0.100000E-04    0.997694E+00
  44   -0.271209E-04    0.213916E+03  0.126783E-06 0.100000E-04    0.996705E+00
  45    0.911883E-06    0.212423E+03 -0.429278E-08 0.100000E-04    0.901923E+00
  46    0.260253E-04    0.207267E+03 -0.125564E-06 0.100000E-04    0.996365E+00
  47   -0.298329E-04    0.203571E+03  0.146547E-06 0.100000E-04    0.998702E+00
  48    0.535867E-05    0.197373E+03 -0.271500E-07 0.100000E-04    0.992275E+00
  49   -0.258178E-04    0.195208E+03  0.132258E-06 0.100000E-04    0.999464E+00
  50    0.945340E-05    0.191497E+03 -0.493657E-07 0.100000E-04    0.985693E+00
  51   -0.166308E-04    0.184085E+03  0.903427E-07 0.100000E-04    0.999746E+00
  52   -0.389426E-05    0.174879E+03  0.222683E-07 0.100000E-04    0.995087E+00
  53   -0.134289E-04    0.171954E+03  0.780958E-07 0.100000E-04    0.996853E+00
  54   -0.185841E-04    0.167568E+03  0.110905E-06 0.100000E-04    0.997930E+00
  55    0.205881E-04    0.164891E+03 -0.124859E-06 0.100000E-04    0.999197E+00
  56   -0.594278E-05    0.158800E+03  0.374230E-07 0.100000E-04    0.993019E+00
  57    0.111186E-04    0.154060E+03 -0.721706E-07 0.100000E-04    0.993941E+00
  58   -0.246783E-04    0.151441E+03  0.162957E-06 0.100000E-04    0.998245E+00
  59   -0.212806E-05    0.148496E+03  0.143308E-07 0.100000E-04    0.953507E+00
  60   -0.229753E-04    0.143313E+03  0.160315E-06 0.100000E-04    0.999343E+00
  61    0.294350E-04    0.137163E+03 -0.214598E-06 0.100000E-04    0.992519E+00
  62   -0.289560E-04    0.135865E+03  0.213124E-06 0.100000E-04    0.999166E+00
  63    0.228390E-04    0.130638E+03 -0.174827E-06 0.100000E-04    0.995790E+00
  64   -0.284679E-04    0.128140E+03  0.222163E-06 0.100000E-04    0.994908E+00
  65    0.208054E-04    0.126164E+03 -0.164908E-06 0.100000E-04    0.990411E+00
  66    0.189721E-04    0.125516E+03 -0.151153E-06 0.100000E-04    0.996386E+00
  67   -0.807382E-05    0.119774E+03  0.674087E-07 0.100000E-04    0.999178E+00
  68    0.932571E-05    0.118086E+03 -0.789741E-07 0.100000E-04    0.998151E+00
  69   -0.621257E-05    0.117048E+03  0.530772E-07 0.100000E-04    0.988816E+00
  70    0.271250E-04    0.110919E+03 -0.244548E-06 0.100000E-04    0.999033E+00
  71   -0.602426E-05    0.107736E+03  0.559169E-07 0.100000E-04    0.997085E+00
  72    0.616478E-04    0.104705E+03 -0.588776E-06 0.100000E-04    0.994566E+00
  73   -0.286166E-04    0.103093E+03  0.277581E-06 0.100000E-04    0.998153E+00
  74    0.281697E-04    0.997552E+02 -0.282388E-06 0.100000E-04    0.998489E+00
  75    0.768608E-04    0.958236E+02 -0.802107E-06 0.100000E-04    0.997434E+00
  76    0.505636E-05    0.946532E+02 -0.534199E-07 0.100000E-04    0.863011E+00
  77    0.553607E-04    0.931591E+02 -0.594259E-06 0.100000E-04    0.996357E+00
  78    0.490028E-05    0.905688E+02 -0.541056E-07 0.100000E-04    0.995307E+00
  79    0.905692E-05    0.896262E+02 -0.101052E-06 0.100000E-04    0.996732E+00
  80    0.220583E-04    0.850430E+02 -0.259379E-06 0.100000E-04    0.998523E+00
  81   -0.229088E-04    0.809096E+02  0.283141E-06 0.100000E-04    0.997171E+00
  82    0.479295E-05    0.798533E+02 -0.600219E-07 0.100000E-04    0.987567E+00
  83   -0.159952E-04    0.782704E+02  0.204358E-06 0.100000E-04    0.993262E+00
  84   -0.432536E-04    0.728217E+02  0.593966E-06 0.100000E-04    0.992753E+00
  85   -0.430322E-04    0.723018E+02  0.595175E-06 0.100000E-04    0.997098E+00
  86   -0.709377E-05    0.682727E+02  0.103904E-06 0.100000E-04    0.971257E+00
  87   -0.437171E-04    0.663342E+02  0.659043E-06 0.100000E-04    0.998878E+00
  88   -0.647000E-05    0.631289E+02  0.102489E-06 0.100000E-04    0.984681E+00
  89   -0.429951E-04    0.600201E+02  0.716345E-06 0.100000E-04    0.983458E+00
  90    0.496416E-04    0.597122E+02 -0.831348E-06 0.100000E-04    0.981196E+00
  91   -0.985035E-05    0.590719E+02  0.166752E-06 0.100000E-04    0.963282E+00
  92   -0.619893E-04    0.560453E+02  0.110606E-05 0.100000E-04    0.998182E+00
  93    0.240856E-04    0.527249E+02 -0.456815E-06 0.100000E-04    0.994368E+00
  94    0.500265E-04    0.523017E+02 -0.956499E-06 0.100000E-04    0.994695E+00
  95    0.211596E-04    0.500549E+02 -0.422727E-06 0.100000E-04    0.995839E+00
  96    0.530527E-05    0.474568E+02 -0.111792E-06 0.100000E-04    0.963377E+00
  97   -0.431084E-04    0.428715E+02  0.100553E-05 0.100000E-04    0.992447E+00
  98   -0.463185E-04    0.404359E+02  0.114548E-05 0.100000E-04    0.994669E+00
  99    0.124680E-03    0.374983E+02 -0.332495E-05 0.100000E-04    0.996548E+00
 100   -0.954183E-04    0.362213E+02  0.263431E-05 0.100000E-04    0.997128E+00
 101   -0.234797E-04    0.343962E+02  0.682625E-06 0.100000E-04    0.978931E+00
 102    0.101535E-03    0.288069E+02 -0.352466E-05 0.100000E-04    0.996612E+00
 103    0.255295E-04    0.286301E+02 -0.891700E-06 0.100000E-04    0.987622E+00
 104   -0.943806E-04    0.273439E+02  0.345162E-05 0.100000E-04    0.989806E+00
 105   -0.605177E-04    0.230193E+02  0.262900E-05 0.100000E-04    0.998119E+00
 106   -0.203183E-04    0.212643E+02  0.955513E-06 0.100000E-04    0.924532E+00
 107   -0.104798E-03    0.204859E+02  0.511563E-05 0.100000E-04    0.991235E+00
 108   -0.364519E-05    0.168046E+02  0.216917E-06 0.100000E-04    0.718210E+00
 109    0.713106E-04    0.137980E+02 -0.516820E-05 0.100000E-04    0.999569E+00
 110    0.759194E-02    0.122437E+02 -0.100000E-04 0.100000E-04    0.429855E+00
 111    0.299110E-02    0.991934E+01 -0.100000E-04 0.100000E-04    0.693310E+00
 112    0.818148E-02    0.881045E+01 -0.105107E-04 0.105107E-04    0.271151E+00
 113   -0.231075E-01    0.701105E+01  0.178701E-04 0.178701E-04    0.481764E-01
 114   -0.685683E+00    0.413524E+01 -0.400000E-03 0.400000E-03    0.675779E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1614902702    

 Beginning of optimization cycle  350.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3510980629
 potential> RMS force:                                               0.0644196992   |gradient|=.6878141689    
 Eigenvalues of the Hessian matrix:
   734.72533    673.76153    627.21598    603.97295    588.06128    572.36100 
   567.01704    483.46692    464.55458    461.16200    441.42698    429.51775 
   421.91483    408.12243    397.28543    388.79974    368.06358    361.56509 
   350.68648    335.81665    326.20764    321.43058    320.30003    312.17591 
   303.68886    288.77789    278.67916    270.84568    267.06400    264.36831 
   259.90246    253.93561    242.17466    238.51175    234.81240    228.42052 
   219.74666    213.92374    212.42905    207.26295    203.57198    197.36530 
   195.20401    191.49570    184.07545    174.86853    171.95965    167.56897 
   164.88287    158.78929    154.06542    151.44660    148.48702    143.31562 
   137.16653    135.86702    130.63641    128.14429    126.16697    125.51250 
   119.77590    118.08653    117.04913    110.91330    107.72844    104.70214 
   103.09266     99.75404     95.82037     94.64229     93.17114     90.57284 
    89.62105     85.04588     80.90932     79.85551     78.26925     72.82382 
    72.30650     68.27201     66.32192     63.12427     60.01451     59.71026 
    59.07175     56.04562     52.72194     52.30239     50.05390     47.45183 
    42.87116     40.43845     37.50251     36.22411     34.38411     28.80651 
    28.62880     27.33583     23.02120     21.25785     20.49022     16.80396 
    13.79840     12.24346      9.92081      8.80454      7.00379      4.13012 
overlap for current and previous eigenvector    109 is         0.9999996927
overlap for current and previous eigenvector    110 is         0.9999995476
overlap for current and previous eigenvector    111 is         0.9999990070
overlap for current and previous eigenvector    112 is         0.9999937513
overlap for current and previous eigenvector    113 is         0.9999945379
overlap for current and previous eigenvector    114 is         0.9999997289
J1,K1,R1,R2,RAT=   7   7   -0.5759186421E-02     2.005587563        0.9942408136    
FOB,PFOB,DIAG,PSTEP=   -0.4862861542E-05   -0.4835013408E-05     734.7253343        0.6581273462E-08
J1,K1,R1,R2,RAT=   8   8   -0.8370893909E-02     2.008346248        0.9916291061    
FOB,PFOB,DIAG,PSTEP=   -0.5183161171E-05   -0.5140133132E-05     673.7615308        0.7629103531E-08
J1,K1,R1,R2,RAT=   9   9   -0.1390687181E-01     2.013868100        0.9860931282    
FOB,PFOB,DIAG,PSTEP=   -0.4182024235E-06   -0.4124661978E-06     627.2159809        0.6576270479E-09
J1,K1,R1,R2,RAT=  10  10    0.9648430386E-02     1.990383122        0.9903515696    
FOB,PFOB,DIAG,PSTEP=    0.2130514292E-05    0.2151270346E-05     603.9729493       -0.3561809201E-08
J1,K1,R1,R2,RAT=  11  11   -0.7292403750E-02     2.007326049        0.9927075963    
FOB,PFOB,DIAG,PSTEP=   -0.1559529741E-05   -0.1548239544E-05     588.0612808        0.2632741772E-08
J1,K1,R1,R2,RAT= 109 109    0.5356867157E-02     1.994578264        0.9945782640    
FOB,PFOB,DIAG,PSTEP=    0.7092860157E-04    0.7131061545E-04     13.79839808       -0.5168203443E-05
J1,K1,R1,R2,RAT= 110 110   -0.5625201450         124.5788708        0.4374798550    
FOB,PFOB,DIAG,PSTEP=    0.7660816750E-02    0.7591944833E-02     12.24345789       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3126070075         59.98694388        0.6873929925    
FOB,PFOB,DIAG,PSTEP=    0.2960089438E-02    0.2991102592E-02     9.920812170       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9252733229         177.7414129        0.7472667714E-01
FOB,PFOB,DIAG,PSTEP=    0.8267108767E-02    0.8181481889E-02     8.804537110       -0.1051074588E-04
J1,K1,R1,R2,RAT= 113 113   -0.8113170183         370.0640959        0.1886829817    
FOB,PFOB,DIAG,PSTEP=   -0.2320905061E-01   -0.2310750763E-01     7.003791188        0.1787006527E-04
J1,K1,R1,R2,RAT= 114 114    0.9931662560        -831.0937401        0.6833744030E-02
FOB,PFOB,DIAG,PSTEP=   -0.6873236170       -0.6856828590         4.130119172       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002     -0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001      0.00002     -0.00000     -0.00002 
     0.00003      0.00003      0.00002      0.00003      0.00002     -0.00002 
     0.00001     -0.00001      0.00001     -0.00003      0.00001     -0.00006 
    -0.00003      0.00003      0.00008      0.00001      0.00006     -0.00001 
    -0.00001     -0.00002      0.00002     -0.00001     -0.00002     -0.00004 
     0.00004      0.00001     -0.00004     -0.00001     -0.00004      0.00005 
     0.00001      0.00006     -0.00002      0.00005      0.00002     -0.00001 
     0.00004      0.00005      0.00012      0.00010      0.00002      0.00010 
     0.00003      0.00009     -0.00006     -0.00002      0.00011     -0.00000 
     0.00007      0.00766      0.00296      0.00827     -0.02321     -0.68732 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4226105107
 Log product of positive Hessian eigenvalues =          519.7386610849
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1301191725
 Unscaled step for mode    7=        0.0000000066
 Unscaled step for mode    8=        0.0000000077
 Unscaled step for mode    9=        0.0000000007
 Unscaled step for mode   10=       -0.0000000035
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000051
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=        0.0000000016
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000139
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000403
 Unscaled step for mode   20=       -0.0000000174
 Unscaled step for mode   21=       -0.0000000174
 Unscaled step for mode   22=        0.0000000207
 Unscaled step for mode   23=       -0.0000000019
 Unscaled step for mode   24=        0.0000000067
 Unscaled step for mode   25=        0.0000000594
 Unscaled step for mode   26=        0.0000001004
 Unscaled step for mode   27=        0.0000000520
 Unscaled step for mode   28=       -0.0000000453
 Unscaled step for mode   29=       -0.0000000417
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000533
 Unscaled step for mode   32=        0.0000000240
 Unscaled step for mode   33=       -0.0000000449
 Unscaled step for mode   34=       -0.0000000432
 Unscaled step for mode   35=       -0.0000000903
 Unscaled step for mode   36=       -0.0000000708
 Unscaled step for mode   37=        0.0000000730
 Unscaled step for mode   38=        0.0000000000
 Unscaled step for mode   39=        0.0000000822
 Unscaled step for mode   40=        0.0000000592
 Unscaled step for mode   41=        0.0000001723
 Unscaled step for mode   42=        0.0000000573
 Unscaled step for mode   43=        0.0000000707
 Unscaled step for mode   44=        0.0000001275
 Unscaled step for mode   45=       -0.0000000041
 Unscaled step for mode   46=       -0.0000001261
 Unscaled step for mode   47=        0.0000001466
 Unscaled step for mode   48=       -0.0000000273
 Unscaled step for mode   49=        0.0000001329
 Unscaled step for mode   50=       -0.0000000488
 Unscaled step for mode   51=        0.0000000908
 Unscaled step for mode   52=       -0.0000000226
 Unscaled step for mode   53=       -0.0000000783
 Unscaled step for mode   54=       -0.0000001116
 Unscaled step for mode   55=       -0.0000001250
 Unscaled step for mode   56=       -0.0000000371
 Unscaled step for mode   57=        0.0000000726
 Unscaled step for mode   58=       -0.0000001632
 Unscaled step for mode   59=        0.0000000144
 Unscaled step for mode   60=        0.0000001609
 Unscaled step for mode   61=       -0.0000002150
 Unscaled step for mode   62=       -0.0000002125
 Unscaled step for mode   63=       -0.0000001741
 Unscaled step for mode   64=       -0.0000002234
 Unscaled step for mode   65=       -0.0000001656
 Unscaled step for mode   66=        0.0000001498
 Unscaled step for mode   67=       -0.0000000681
 Unscaled step for mode   68=        0.0000000790
 Unscaled step for mode   69=       -0.0000000530
 Unscaled step for mode   70=        0.0000002459
 Unscaled step for mode   71=       -0.0000000561
 Unscaled step for mode   72=        0.0000005899
 Unscaled step for mode   73=        0.0000002782
 Unscaled step for mode   74=       -0.0000002813
 Unscaled step for mode   75=       -0.0000008044
 Unscaled step for mode   76=       -0.0000000589
 Unscaled step for mode   77=       -0.0000005920
 Unscaled step for mode   78=        0.0000000572
 Unscaled step for mode   79=        0.0000000998
 Unscaled step for mode   80=        0.0000002602
 Unscaled step for mode   81=       -0.0000002836
 Unscaled step for mode   82=        0.0000000628
 Unscaled step for mode   83=        0.0000002061
 Unscaled step for mode   84=        0.0000005950
 Unscaled step for mode   85=       -0.0000005925
 Unscaled step for mode   86=       -0.0000001070
 Unscaled step for mode   87=        0.0000006602
 Unscaled step for mode   88=        0.0000001029
 Unscaled step for mode   89=        0.0000007061
 Unscaled step for mode   90=       -0.0000008413
 Unscaled step for mode   91=       -0.0000001708
 Unscaled step for mode   92=       -0.0000011087
 Unscaled step for mode   93=        0.0000004504
 Unscaled step for mode   94=       -0.0000009568
 Unscaled step for mode   95=       -0.0000004163
 Unscaled step for mode   96=        0.0000001106
 Unscaled step for mode   97=       -0.0000010026
 Unscaled step for mode   98=       -0.0000011483
 Unscaled step for mode   99=       -0.0000033204
 Unscaled step for mode  100=       -0.0000026313
 Unscaled step for mode  101=       -0.0000006812
 Unscaled step for mode  102=       -0.0000035219
 Unscaled step for mode  103=       -0.0000009036
 Unscaled step for mode  104=       -0.0000034487
 Unscaled step for mode  105=        0.0000026430
 Unscaled step for mode  106=        0.0000009319
 Unscaled step for mode  107=       -0.0000051302
 Unscaled step for mode  108=        0.0000002205
 Unscaled step for mode  109=       -0.0000051404
 Unscaled step for mode  110=       -0.0006257067
 Unscaled step for mode  111=       -0.0002983717
 Unscaled step for mode  112=       -0.0009389592
 Unscaled step for mode  113=        0.0033137475
 Unscaled step for mode  114=       -0.1620473690
 Largest modulus ratio of non-zero e/values=           177.8944635    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.286229E-16    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.932956E-15    0.100706E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.246303E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.794503E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.153198E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.443520E-15    0.973931E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.486286E-05    0.734725E+03  0.661861E-08 0.100000E-04    0.994241E+00
   8   -0.518316E-05    0.673762E+03  0.769287E-08 0.100000E-04    0.991629E+00
   9   -0.418202E-06    0.627216E+03  0.666760E-09 0.100000E-04    0.986093E+00
  10    0.213051E-05    0.603973E+03 -0.352750E-08 0.100000E-04    0.990352E+00
  11   -0.155953E-05    0.588061E+03  0.265199E-08 0.100000E-04    0.992708E+00
  12   -0.294315E-05    0.572361E+03  0.514213E-08 0.100000E-04    0.981878E+00
  13   -0.360523E-05    0.567017E+03  0.635824E-08 0.100000E-04    0.991534E+00
  14   -0.757505E-06    0.483467E+03  0.156682E-08 0.100000E-04    0.934216E+00
  15    0.188506E-05    0.464555E+03 -0.405779E-08 0.100000E-04    0.984925E+00
  16    0.641577E-05    0.461162E+03 -0.139122E-07 0.100000E-04    0.998488E+00
  17    0.456963E-05    0.441427E+03 -0.103519E-07 0.100000E-04    0.997877E+00
  18    0.503475E-05    0.429518E+03 -0.117219E-07 0.100000E-04    0.996116E+00
  19   -0.170014E-04    0.421915E+03  0.402959E-07 0.100000E-04    0.998357E+00
  20    0.711481E-05    0.408122E+03 -0.174330E-07 0.100000E-04    0.995732E+00
  21    0.690733E-05    0.397285E+03 -0.173863E-07 0.100000E-04    0.997420E+00
  22   -0.805967E-05    0.388800E+03  0.207296E-07 0.100000E-04    0.997625E+00
  23    0.690961E-06    0.368064E+03 -0.187729E-08 0.100000E-04    0.964738E+00
  24   -0.242264E-05    0.361565E+03  0.670041E-08 0.100000E-04    0.990223E+00
  25   -0.208319E-04    0.350686E+03  0.594032E-07 0.100000E-04    0.997240E+00
  26   -0.337312E-04    0.335817E+03  0.100445E-06 0.100000E-04    0.998928E+00
  27   -0.169591E-04    0.326208E+03  0.519888E-07 0.100000E-04    0.997652E+00
  28    0.145573E-04    0.321431E+03 -0.452890E-07 0.100000E-04    0.998791E+00
  29    0.133679E-04    0.320300E+03 -0.417354E-07 0.100000E-04    0.986637E+00
  30   -0.249927E-04    0.312176E+03  0.800597E-07 0.100000E-04    0.998717E+00
  31   -0.161813E-04    0.303689E+03  0.532824E-07 0.100000E-04    0.992522E+00
  32   -0.693148E-05    0.288778E+03  0.240028E-07 0.100000E-04    0.998348E+00
  33    0.125044E-04    0.278679E+03 -0.448702E-07 0.100000E-04    0.999685E+00
  34    0.117026E-04    0.270846E+03 -0.432076E-07 0.100000E-04    0.996152E+00
  35    0.241047E-04    0.267064E+03 -0.902582E-07 0.100000E-04    0.998541E+00
  36    0.187270E-04    0.264368E+03 -0.708368E-07 0.100000E-04    0.996852E+00
  37   -0.189789E-04    0.259902E+03  0.730233E-07 0.100000E-04    0.997374E+00
  38   -0.534487E-08    0.253936E+03  0.210481E-10 0.109000E-04    0.106558E+00
  39   -0.199013E-04    0.242175E+03  0.821774E-07 0.100000E-04    0.998791E+00
  40   -0.141109E-04    0.238512E+03  0.591623E-07 0.100000E-04    0.989263E+00
  41   -0.404502E-04    0.234812E+03  0.172266E-06 0.100000E-04    0.997296E+00
  42   -0.130918E-04    0.228421E+03  0.573145E-07 0.100000E-04    0.994769E+00
  43   -0.155328E-04    0.219747E+03  0.706849E-07 0.100000E-04    0.992749E+00
  44   -0.272705E-04    0.213924E+03  0.127478E-06 0.100000E-04    0.994482E+00
  45    0.860666E-06    0.212429E+03 -0.405154E-08 0.100000E-04    0.943774E+00
  46    0.261404E-04    0.207263E+03 -0.126122E-06 0.100000E-04    0.995574E+00
  47   -0.298406E-04    0.203572E+03  0.146585E-06 0.100000E-04    0.999741E+00
  48    0.538931E-05    0.197365E+03 -0.273063E-07 0.100000E-04    0.994282E+00
  49   -0.259385E-04    0.195204E+03  0.132879E-06 0.100000E-04    0.995324E+00
  50    0.934730E-05    0.191496E+03 -0.488121E-07 0.100000E-04    0.988777E+00
  51   -0.167142E-04    0.184075E+03  0.908008E-07 0.100000E-04    0.994984E+00
  52    0.394779E-05    0.174869E+03 -0.225757E-07 0.100000E-04    0.986255E+00
  53    0.134688E-04    0.171960E+03 -0.783254E-07 0.100000E-04    0.997029E+00
  54    0.187001E-04    0.167569E+03 -0.111596E-06 0.100000E-04    0.993761E+00
  55    0.206066E-04    0.164883E+03 -0.124977E-06 0.100000E-04    0.999103E+00
  56    0.588324E-05    0.158789E+03 -0.370506E-07 0.100000E-04    0.989981E+00
  57   -0.111857E-04    0.154065E+03  0.726035E-07 0.100000E-04    0.993968E+00
  58    0.247190E-04    0.151447E+03 -0.163220E-06 0.100000E-04    0.998349E+00
  59   -0.213607E-05    0.148487E+03  0.143855E-07 0.100000E-04    0.996237E+00
  60   -0.230601E-04    0.143316E+03  0.160904E-06 0.100000E-04    0.996310E+00
  61    0.294868E-04    0.137167E+03 -0.214970E-06 0.100000E-04    0.998241E+00
  62    0.288683E-04    0.135867E+03 -0.212475E-06 0.100000E-04    0.996938E+00
  63    0.227415E-04    0.130636E+03 -0.174082E-06 0.100000E-04    0.995729E+00
  64    0.286254E-04    0.128144E+03 -0.223384E-06 0.100000E-04    0.994469E+00
  65    0.208988E-04    0.126167E+03 -0.165644E-06 0.100000E-04    0.995510E+00
  66   -0.187967E-04    0.125512E+03  0.149759E-06 0.100000E-04    0.990753E+00
  67    0.815630E-05    0.119776E+03 -0.680963E-07 0.100000E-04    0.989785E+00
  68   -0.932988E-05    0.118087E+03  0.790089E-07 0.100000E-04    0.999552E+00
  69    0.620800E-05    0.117049E+03 -0.530376E-07 0.100000E-04    0.999243E+00
  70   -0.272726E-04    0.110913E+03  0.245891E-06 0.100000E-04    0.994560E+00
  71    0.604157E-05    0.107728E+03 -0.560815E-07 0.100000E-04    0.997127E+00
  72   -0.617677E-04    0.104702E+03  0.589937E-06 0.100000E-04    0.998055E+00
  73   -0.286818E-04    0.103093E+03  0.278214E-06 0.100000E-04    0.997720E+00
  74    0.280589E-04    0.997540E+02 -0.281280E-06 0.100000E-04    0.996065E+00
  75    0.770770E-04    0.958204E+02 -0.804391E-06 0.100000E-04    0.997187E+00
  76    0.557453E-05    0.946423E+02 -0.589011E-07 0.100000E-04    0.897509E+00
  77    0.551566E-04    0.931711E+02 -0.591992E-06 0.100000E-04    0.996056E+00
  78   -0.517630E-05    0.905728E+02  0.571507E-07 0.100000E-04    0.943674E+00
  79   -0.894689E-05    0.896210E+02  0.998302E-07 0.100000E-04    0.987851E+00
  80   -0.221264E-04    0.850459E+02  0.260171E-06 0.100000E-04    0.996911E+00
  81    0.229472E-04    0.809093E+02 -0.283616E-06 0.100000E-04    0.998326E+00
  82   -0.501110E-05    0.798555E+02  0.627520E-07 0.100000E-04    0.954486E+00
  83   -0.161290E-04    0.782692E+02  0.206071E-06 0.100000E-04    0.991632E+00
  84   -0.433315E-04    0.728238E+02  0.595018E-06 0.100000E-04    0.998200E+00
  85    0.428389E-04    0.723065E+02 -0.592463E-06 0.100000E-04    0.995378E+00
  86    0.730565E-05    0.682720E+02 -0.107008E-06 0.100000E-04    0.970132E+00
  87   -0.437831E-04    0.663219E+02  0.660160E-06 0.100000E-04    0.998490E+00
  88   -0.649276E-05    0.631243E+02  0.102857E-06 0.100000E-04    0.996482E+00
  89   -0.423735E-04    0.600145E+02  0.706055E-06 0.100000E-04    0.985542E+00
  90    0.502351E-04    0.597103E+02 -0.841314E-06 0.100000E-04    0.988044E+00
  91    0.100896E-04    0.590718E+02 -0.170803E-06 0.100000E-04    0.975709E+00
  92    0.621398E-04    0.560456E+02 -0.110874E-05 0.100000E-04    0.997572E+00
  93   -0.237476E-04    0.527219E+02  0.450430E-06 0.100000E-04    0.985965E+00
  94    0.500438E-04    0.523024E+02 -0.956816E-06 0.100000E-04    0.999655E+00
  95    0.208397E-04    0.500539E+02 -0.416345E-06 0.100000E-04    0.984881E+00
  96   -0.524864E-05    0.474518E+02  0.110610E-06 0.100000E-04    0.989324E+00
  97    0.429845E-04    0.428712E+02 -0.100264E-05 0.100000E-04    0.997126E+00
  98    0.464339E-04    0.404384E+02 -0.114826E-05 0.100000E-04    0.997509E+00
  99    0.124523E-03    0.375025E+02 -0.332040E-05 0.100000E-04    0.998521E+00
 100    0.953148E-04    0.362241E+02 -0.263125E-05 0.100000E-04    0.998762E+00
 101    0.234234E-04    0.343841E+02 -0.681226E-06 0.100000E-04    0.997598E+00
 102    0.101455E-03    0.288065E+02 -0.352195E-05 0.100000E-04    0.999216E+00
 103    0.258691E-04    0.286288E+02 -0.903603E-06 0.100000E-04    0.986696E+00
 104    0.942737E-04    0.273358E+02 -0.344872E-05 0.100000E-04    0.998867E+00
 105   -0.608445E-04    0.230212E+02  0.264298E-05 0.100000E-04    0.994600E+00
 106   -0.198100E-04    0.212578E+02  0.931890E-06 0.100000E-04    0.974973E+00
 107    0.105118E-03    0.204902E+02 -0.513016E-05 0.100000E-04    0.996950E+00
 108   -0.370611E-05    0.168040E+02  0.220550E-06 0.100000E-04    0.983288E+00
 109    0.709286E-04    0.137984E+02 -0.514035E-05 0.100000E-04    0.994578E+00
 110    0.766082E-02    0.122435E+02 -0.100000E-04 0.100000E-04    0.437480E+00
 111    0.296009E-02    0.992081E+01 -0.100000E-04 0.100000E-04    0.687393E+00
 112    0.826711E-02    0.880454E+01 -0.114567E-04 0.114567E-04    0.747267E-01
 113   -0.232091E-01    0.700379E+01  0.194784E-04 0.194784E-04    0.188683E+00
 114   -0.687324E+00    0.413012E+01 -0.400000E-03 0.400000E-03    0.683374E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1620473690    

 Beginning of optimization cycle  351.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3508234548
 potential> RMS force:                                               0.0645734978   |gradient|=.6894562892    
 Eigenvalues of the Hessian matrix:
   734.78849    673.76972    627.22830    603.96324    588.05135    572.40405 
   567.02078    483.49285    464.53126    461.15556    441.42887    429.51059 
   421.91835    408.12939    397.28033    388.79785    368.07171    361.55659 
   350.67917    335.80100    326.22172    321.43036    320.30035    312.15373 
   303.67553    288.78741    278.67437    270.85079    267.07262    264.37466 
   259.91855    253.93631    242.17036    238.52464    234.80000    228.41576 
   219.72581    213.93145    212.43550    207.25908    203.57251    197.35780 
   195.20052    191.49413    184.06558    174.85821    171.96500    167.57028 
   164.87505    158.77842    154.07058    151.45233    148.47819    143.31782 
   137.16963    135.86919    130.63480    128.14893    126.17023    125.50888 
   119.77765    118.08735    117.05043    110.90769    107.72088    104.69926 
   103.09274     99.75290     95.81721     94.63129     93.18311     90.57689 
    89.61581     85.04884     80.90905     79.85778     78.26806     72.82596 
    72.31114     68.27132     66.30965     63.11960     60.00914     59.70822 
    59.07157     56.04591     52.71897     52.30306     50.05290     47.44681 
    42.87086     40.44103     37.50668     36.22686     34.37195     28.80613 
    28.62753     27.32783     23.02315     21.25139     20.49453     16.80333 
    13.79885     12.24327      9.92228      8.79880      6.99650      4.12498 
overlap for current and previous eigenvector    109 is         0.9999996982
overlap for current and previous eigenvector    110 is         0.9999995506
overlap for current and previous eigenvector    111 is         0.9999990447
overlap for current and previous eigenvector    112 is         0.9999939322
overlap for current and previous eigenvector    113 is         0.9999946733
overlap for current and previous eigenvector    114 is         0.9999997219
J1,K1,R1,R2,RAT=   7   7   -0.6549484743E-02     2.006377584        0.9934505153    
FOB,PFOB,DIAG,PSTEP=   -0.4894713517E-05   -0.4862861542E-05     734.7884896        0.6618611492E-08
J1,K1,R1,R2,RAT=   8   8   -0.7349995721E-02     2.007325679        0.9926500043    
FOB,PFOB,DIAG,PSTEP=   -0.5221257847E-05   -0.5183161171E-05     673.7697227        0.7692871935E-08
J1,K1,R1,R2,RAT=   9   9   -0.1184161244         2.118376837        0.8815838756    
FOB,PFOB,DIAG,PSTEP=   -0.4677253065E-06   -0.4182024235E-06     627.2283019        0.6667598343E-09
J1,K1,R1,R2,RAT=  10  10    0.1220248777E-02     1.998811909        0.9987797512    
FOB,PFOB,DIAG,PSTEP=    0.2127914576E-05    0.2130514292E-05     603.9632382       -0.3527499525E-08
J1,K1,R1,R2,RAT=  11  11    0.1201498782E-01     1.988018789        0.9879850122    
FOB,PFOB,DIAG,PSTEP=   -0.1540792327E-05   -0.1559529741E-05     588.0513497        0.2651985078E-08
J1,K1,R1,R2,RAT= 109 109   -0.8625674481E-02     2.008559621        0.9913743255    
FOB,PFOB,DIAG,PSTEP=    0.7154042880E-04    0.7092860157E-04     13.79885381       -0.5140350436E-05
J1,K1,R1,R2,RAT= 110 110   -0.5539574680         125.6972782        0.4460425320    
FOB,PFOB,DIAG,PSTEP=    0.7728639253E-02    0.7660816750E-02     12.24326909       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3064425419         59.35907093        0.6935574581    
FOB,PFOB,DIAG,PSTEP=    0.2929683353E-02    0.2960089438E-02     9.922279271       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8397036263         164.8609362        0.1602963737    
FOB,PFOB,DIAG,PSTEP=    0.8351755383E-02    0.8267108767E-02     8.798801940       -0.1145671301E-04
J1,K1,R1,R2,RAT= 113 113   -0.7469445299         341.3541413        0.2530554701    
FOB,PFOB,DIAG,PSTEP=   -0.2331084455E-01   -0.2320905061E-01     6.996501224        0.1947837115E-04
J1,K1,R1,R2,RAT= 114 114    0.9928554990        -834.1159561        0.7144500997E-02
FOB,PFOB,DIAG,PSTEP=   -0.6889618215       -0.6873236170         4.124982349       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
     0.00002     -0.00001      0.00001     -0.00002     -0.00000     -0.00002 
     0.00003     -0.00003      0.00002     -0.00003      0.00002     -0.00002 
    -0.00001     -0.00001      0.00001      0.00003     -0.00001      0.00006 
    -0.00003      0.00003      0.00008      0.00001      0.00005     -0.00001 
    -0.00001      0.00002     -0.00002      0.00001     -0.00002     -0.00004 
    -0.00004     -0.00001     -0.00004     -0.00001     -0.00004      0.00005 
    -0.00001     -0.00006      0.00002     -0.00005      0.00002      0.00001 
    -0.00004     -0.00005      0.00012     -0.00009     -0.00002      0.00010 
     0.00003     -0.00009     -0.00006     -0.00002     -0.00010     -0.00000 
     0.00007      0.00773      0.00293      0.00835     -0.02331     -0.68896 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4224418577
 Log product of positive Hessian eigenvalues =          519.7347178996
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1249823492
 Unscaled step for mode    7=        0.0000000067
 Unscaled step for mode    8=        0.0000000077
 Unscaled step for mode    9=        0.0000000007
 Unscaled step for mode   10=       -0.0000000035
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000053
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000014
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000139
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000403
 Unscaled step for mode   20=       -0.0000000173
 Unscaled step for mode   21=       -0.0000000173
 Unscaled step for mode   22=        0.0000000209
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000069
 Unscaled step for mode   25=        0.0000000595
 Unscaled step for mode   26=        0.0000001006
 Unscaled step for mode   27=        0.0000000520
 Unscaled step for mode   28=       -0.0000000453
 Unscaled step for mode   29=       -0.0000000424
 Unscaled step for mode   30=        0.0000000803
 Unscaled step for mode   31=        0.0000000536
 Unscaled step for mode   32=        0.0000000243
 Unscaled step for mode   33=       -0.0000000450
 Unscaled step for mode   34=       -0.0000000435
 Unscaled step for mode   35=       -0.0000000905
 Unscaled step for mode   36=       -0.0000000714
 Unscaled step for mode   37=        0.0000000731
 Unscaled step for mode   38=       -0.0000000002
 Unscaled step for mode   39=        0.0000000822
 Unscaled step for mode   40=        0.0000000601
 Unscaled step for mode   41=        0.0000001730
 Unscaled step for mode   42=        0.0000000580
 Unscaled step for mode   43=        0.0000000712
 Unscaled step for mode   44=        0.0000001285
 Unscaled step for mode   45=       -0.0000000040
 Unscaled step for mode   46=       -0.0000001268
 Unscaled step for mode   47=        0.0000001468
 Unscaled step for mode   48=       -0.0000000273
 Unscaled step for mode   49=        0.0000001334
 Unscaled step for mode   50=       -0.0000000482
 Unscaled step for mode   51=        0.0000000910
 Unscaled step for mode   52=        0.0000000228
 Unscaled step for mode   53=        0.0000000783
 Unscaled step for mode   54=        0.0000001120
 Unscaled step for mode   55=       -0.0000001253
 Unscaled step for mode   56=        0.0000000375
 Unscaled step for mode   57=       -0.0000000726
 Unscaled step for mode   58=        0.0000001636
 Unscaled step for mode   59=        0.0000000150
 Unscaled step for mode   60=        0.0000001610
 Unscaled step for mode   61=       -0.0000002152
 Unscaled step for mode   62=        0.0000002120
 Unscaled step for mode   63=       -0.0000001733
 Unscaled step for mode   64=        0.0000002244
 Unscaled step for mode   65=       -0.0000001659
 Unscaled step for mode   66=        0.0000001488
 Unscaled step for mode   67=        0.0000000694
 Unscaled step for mode   68=        0.0000000788
 Unscaled step for mode   69=       -0.0000000531
 Unscaled step for mode   70=       -0.0000002472
 Unscaled step for mode   71=        0.0000000566
 Unscaled step for mode   72=       -0.0000005921
 Unscaled step for mode   73=        0.0000002784
 Unscaled step for mode   74=       -0.0000002805
 Unscaled step for mode   75=       -0.0000008061
 Unscaled step for mode   76=       -0.0000000650
 Unscaled step for mode   77=       -0.0000005887
 Unscaled step for mode   78=        0.0000000578
 Unscaled step for mode   79=        0.0000000995
 Unscaled step for mode   80=       -0.0000002599
 Unscaled step for mode   81=        0.0000002848
 Unscaled step for mode   82=       -0.0000000653
 Unscaled step for mode   83=        0.0000002054
 Unscaled step for mode   84=        0.0000005966
 Unscaled step for mode   85=        0.0000005894
 Unscaled step for mode   86=        0.0000001090
 Unscaled step for mode   87=        0.0000006584
 Unscaled step for mode   88=        0.0000001063
 Unscaled step for mode   89=        0.0000006924
 Unscaled step for mode   90=       -0.0000008497
 Unscaled step for mode   91=        0.0000001738
 Unscaled step for mode   92=        0.0000011088
 Unscaled step for mode   93=       -0.0000004441
 Unscaled step for mode   94=        0.0000009599
 Unscaled step for mode   95=       -0.0000004136
 Unscaled step for mode   96=       -0.0000001106
 Unscaled step for mode   97=        0.0000009967
 Unscaled step for mode   98=        0.0000011497
 Unscaled step for mode   99=       -0.0000033131
 Unscaled step for mode  100=        0.0000026184
 Unscaled step for mode  101=        0.0000006745
 Unscaled step for mode  102=       -0.0000035209
 Unscaled step for mode  103=       -0.0000009194
 Unscaled step for mode  104=        0.0000034755
 Unscaled step for mode  105=        0.0000026323
 Unscaled step for mode  106=        0.0000009114
 Unscaled step for mode  107=        0.0000050825
 Unscaled step for mode  108=        0.0000001825
 Unscaled step for mode  109=       -0.0000051845
 Unscaled step for mode  110=       -0.0006312559
 Unscaled step for mode  111=       -0.0002952631
 Unscaled step for mode  112=       -0.0009491915
 Unscaled step for mode  113=        0.0033317490
 Unscaled step for mode  114=       -0.1626056094
 Largest modulus ratio of non-zero e/values=           178.1313051    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.780626E-16    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.797539E-15    0.100706E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.192856E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.780192E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.322442E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.991774E-16    0.973933E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.489471E-05    0.734788E+03  0.666139E-08 0.100000E-04    0.993451E+00
   8   -0.522126E-05    0.673770E+03  0.774932E-08 0.100000E-04    0.992650E+00
   9   -0.467725E-06    0.627228E+03  0.745702E-09 0.100000E-04    0.881584E+00
  10    0.212791E-05    0.603963E+03 -0.352325E-08 0.100000E-04    0.998780E+00
  11   -0.154079E-05    0.588051E+03  0.262017E-08 0.100000E-04    0.987985E+00
  12   -0.304358E-05    0.572404E+03  0.531719E-08 0.100000E-04    0.965880E+00
  13   -0.359587E-05    0.567021E+03  0.634169E-08 0.100000E-04    0.997391E+00
  14   -0.688203E-06    0.483493E+03  0.142340E-08 0.100000E-04    0.908411E+00
  15    0.186737E-05    0.464531E+03 -0.401989E-08 0.100000E-04    0.990611E+00
  16    0.642438E-05    0.461156E+03 -0.139310E-07 0.100000E-04    0.998658E+00
  17    0.453968E-05    0.441429E+03 -0.102841E-07 0.100000E-04    0.993438E+00
  18    0.499161E-05    0.429511E+03 -0.116216E-07 0.100000E-04    0.991430E+00
  19   -0.170205E-04    0.421918E+03  0.403406E-07 0.100000E-04    0.998882E+00
  20    0.704799E-05    0.408129E+03 -0.172690E-07 0.100000E-04    0.990574E+00
  21    0.686322E-05    0.397280E+03 -0.172755E-07 0.100000E-04    0.993613E+00
  22   -0.813443E-05    0.388798E+03  0.209220E-07 0.100000E-04    0.990725E+00
  23    0.755368E-06    0.368072E+03 -0.205223E-08 0.100000E-04    0.906789E+00
  24   -0.249226E-05    0.361557E+03  0.689314E-08 0.100000E-04    0.971260E+00
  25   -0.208502E-04    0.350679E+03  0.594566E-07 0.100000E-04    0.999123E+00
  26   -0.337695E-04    0.335801E+03  0.100564E-06 0.100000E-04    0.998865E+00
  27   -0.169607E-04    0.326222E+03  0.519914E-07 0.100000E-04    0.999906E+00
  28    0.145530E-04    0.321430E+03 -0.452758E-07 0.100000E-04    0.999709E+00
  29    0.135760E-04    0.320300E+03 -0.423853E-07 0.100000E-04    0.984426E+00
  30   -0.250507E-04    0.312154E+03  0.802511E-07 0.100000E-04    0.997680E+00
  31   -0.162884E-04    0.303676E+03  0.536375E-07 0.100000E-04    0.993379E+00
  32   -0.701604E-05    0.288787E+03  0.242948E-07 0.100000E-04    0.987801E+00
  33    0.125385E-04    0.278674E+03 -0.449934E-07 0.100000E-04    0.997270E+00
  34    0.117740E-04    0.270851E+03 -0.434705E-07 0.100000E-04    0.993896E+00
  35    0.241571E-04    0.267073E+03 -0.904516E-07 0.100000E-04    0.997825E+00
  36    0.188635E-04    0.264375E+03 -0.713513E-07 0.100000E-04    0.992712E+00
  37   -0.190128E-04    0.259919E+03  0.731489E-07 0.100000E-04    0.998217E+00
  38    0.566687E-07    0.253936E+03 -0.223161E-09 0.100000E-04    0.860241E+01
  39   -0.199181E-04    0.242170E+03  0.822484E-07 0.100000E-04    0.999153E+00
  40   -0.143437E-04    0.238525E+03  0.601349E-07 0.100000E-04    0.983505E+00
  41   -0.406194E-04    0.234800E+03  0.172996E-06 0.100000E-04    0.995816E+00
  42   -0.132467E-04    0.228416E+03  0.579937E-07 0.100000E-04    0.988171E+00
  43   -0.156403E-04    0.219726E+03  0.711810E-07 0.100000E-04    0.993075E+00
  44   -0.274986E-04    0.213931E+03  0.128540E-06 0.100000E-04    0.991635E+00
  45    0.848396E-06    0.212436E+03 -0.399366E-08 0.100000E-04    0.985683E+00
  46    0.262787E-04    0.207259E+03 -0.126791E-06 0.100000E-04    0.994711E+00
  47   -0.298887E-04    0.203573E+03  0.146821E-06 0.100000E-04    0.998388E+00
  48    0.538622E-05    0.197358E+03 -0.272916E-07 0.100000E-04    0.999426E+00
  49   -0.260456E-04    0.195201E+03  0.133430E-06 0.100000E-04    0.995872E+00
  50    0.923630E-05    0.191494E+03 -0.482328E-07 0.100000E-04    0.988125E+00
  51   -0.167430E-04    0.184066E+03  0.909623E-07 0.100000E-04    0.998274E+00
  52   -0.398140E-05    0.174858E+03  0.227693E-07 0.100000E-04    0.991486E+00
  53   -0.134629E-04    0.171965E+03  0.782888E-07 0.100000E-04    0.999502E+00
  54   -0.187668E-04    0.167570E+03  0.111993E-06 0.100000E-04    0.996433E+00
  55    0.206592E-04    0.164875E+03 -0.125302E-06 0.100000E-04    0.997448E+00
  56   -0.595612E-05    0.158778E+03  0.375122E-07 0.100000E-04    0.987611E+00
  57    0.111874E-04    0.154071E+03 -0.726120E-07 0.100000E-04    0.999850E+00
  58   -0.247757E-04    0.151452E+03  0.163587E-06 0.100000E-04    0.997708E+00
  59   -0.222233E-05    0.148478E+03  0.149674E-07 0.100000E-04    0.959615E+00
  60   -0.230697E-04    0.143318E+03  0.160969E-06 0.100000E-04    0.999581E+00
  61    0.295141E-04    0.137170E+03 -0.215165E-06 0.100000E-04    0.999071E+00
  62   -0.288085E-04    0.135869E+03  0.212031E-06 0.100000E-04    0.997897E+00
  63    0.226367E-04    0.130635E+03 -0.173283E-06 0.100000E-04    0.995395E+00
  64   -0.287623E-04    0.128149E+03  0.224444E-06 0.100000E-04    0.995216E+00
  65    0.209265E-04    0.126170E+03 -0.165859E-06 0.100000E-04    0.998678E+00
  66   -0.186808E-04    0.125509E+03  0.148841E-06 0.100000E-04    0.993837E+00
  67   -0.831846E-05    0.119778E+03  0.694492E-07 0.100000E-04    0.980118E+00
  68   -0.930198E-05    0.118087E+03  0.787720E-07 0.100000E-04    0.996995E+00
  69    0.621041E-05    0.117050E+03 -0.530575E-07 0.100000E-04    0.999612E+00
  70    0.274195E-04    0.110908E+03 -0.247228E-06 0.100000E-04    0.994613E+00
  71   -0.609769E-05    0.107721E+03  0.566064E-07 0.100000E-04    0.990710E+00
  72    0.619975E-04    0.104699E+03 -0.592149E-06 0.100000E-04    0.996279E+00
  73   -0.286978E-04    0.103093E+03  0.278369E-06 0.100000E-04    0.999442E+00
  74    0.279822E-04    0.997529E+02 -0.280516E-06 0.100000E-04    0.997270E+00
  75    0.772384E-04    0.958172E+02 -0.806101E-06 0.100000E-04    0.997907E+00
  76    0.614953E-05    0.946313E+02 -0.649841E-07 0.100000E-04    0.896841E+00
  77    0.548584E-04    0.931831E+02 -0.588716E-06 0.100000E-04    0.994338E+00
  78   -0.523361E-05    0.905769E+02  0.577808E-07 0.100000E-04    0.988930E+00
  79   -0.891529E-05    0.896158E+02  0.994834E-07 0.100000E-04    0.996467E+00
  80    0.221025E-04    0.850488E+02 -0.259880E-06 0.100000E-04    0.998846E+00
  81   -0.230408E-04    0.809091E+02  0.284774E-06 0.100000E-04    0.995921E+00
  82    0.521870E-05    0.798578E+02 -0.653499E-07 0.100000E-04    0.958572E+00
  83   -0.160787E-04    0.782681E+02  0.205431E-06 0.100000E-04    0.996878E+00
  84   -0.434471E-04    0.728260E+02  0.596589E-06 0.100000E-04    0.997331E+00
  85   -0.426211E-04    0.723111E+02  0.589413E-06 0.100000E-04    0.994787E+00
  86   -0.744251E-05    0.682713E+02  0.109014E-06 0.100000E-04    0.981265E+00
  87   -0.436611E-04    0.663096E+02  0.658442E-06 0.100000E-04    0.997212E+00
  88   -0.671032E-05    0.631196E+02  0.106311E-06 0.100000E-04    0.966490E+00
  89   -0.415529E-04    0.600091E+02  0.692444E-06 0.100000E-04    0.980632E+00
  90    0.507368E-04    0.597082E+02 -0.849746E-06 0.100000E-04    0.990012E+00
  91   -0.102689E-04    0.590716E+02  0.173838E-06 0.100000E-04    0.982232E+00
  92   -0.621419E-04    0.560459E+02  0.110877E-05 0.100000E-04    0.999966E+00
  93    0.234132E-04    0.527190E+02 -0.444113E-06 0.100000E-04    0.985920E+00
  94   -0.502056E-04    0.523031E+02  0.959898E-06 0.100000E-04    0.996766E+00
  95    0.207004E-04    0.500529E+02 -0.413571E-06 0.100000E-04    0.993318E+00
  96    0.524721E-05    0.474468E+02 -0.110591E-06 0.100000E-04    0.999728E+00
  97   -0.427308E-04    0.428709E+02  0.996733E-06 0.100000E-04    0.994098E+00
  98   -0.464932E-04    0.404410E+02  0.114965E-05 0.100000E-04    0.998723E+00
  99    0.124262E-03    0.375067E+02 -0.331306E-05 0.100000E-04    0.997678E+00
 100   -0.948558E-04    0.362269E+02  0.261838E-05 0.100000E-04    0.995033E+00
 101   -0.231842E-04    0.343720E+02  0.674510E-06 0.100000E-04    0.989787E+00
 102    0.101423E-03    0.288061E+02 -0.352087E-05 0.100000E-04    0.999680E+00
 103    0.263195E-04    0.286275E+02 -0.919376E-06 0.100000E-04    0.982590E+00
 104   -0.949766E-04    0.273278E+02  0.347545E-05 0.100000E-04    0.992542E+00
 105   -0.606046E-04    0.230231E+02  0.263233E-05 0.100000E-04    0.995888E+00
 106   -0.193684E-04    0.212514E+02  0.911393E-06 0.100000E-04    0.977701E+00
 107   -0.104164E-03    0.204945E+02  0.508255E-05 0.100000E-04    0.990510E+00
 108   -0.306657E-05    0.168033E+02  0.182497E-06 0.100000E-04    0.827429E+00
 109    0.715404E-04    0.137989E+02 -0.518452E-05 0.100000E-04    0.991374E+00
 110    0.772864E-02    0.122433E+02 -0.100000E-04 0.100000E-04    0.446043E+00
 111    0.292968E-02    0.992228E+01 -0.100000E-04 0.100000E-04    0.693557E+00
 112    0.835176E-02    0.879880E+01 -0.124878E-04 0.124878E-04    0.160296E+00
 113   -0.233108E-01    0.699650E+01  0.175481E-04 0.175481E-04    0.253055E+00
 114   -0.688962E+00    0.412498E+01 -0.400000E-03 0.400000E-03    0.714450E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1626056094    

 Beginning of optimization cycle  352.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3505481589
 potential> RMS force:                                               0.0647271341   |gradient|=.6910966756    
 Eigenvalues of the Hessian matrix:
   734.85167    673.77812    627.24066    603.95322    588.04157    572.44690 
   567.02454    483.51890    464.50797    461.14911    441.43079    429.50327 
   421.92177    408.13629    397.27523    388.79587    368.07984    361.54808 
   350.67170    335.78541    326.23580    321.43024    320.30038    312.13163 
   303.66205    288.79693    278.66955    270.85592    267.08114    264.38090 
   259.93448    253.93691    242.16594    238.53747    234.78756    228.41088 
   219.70498    213.93906    212.44193    207.25527    203.57299    197.35024 
   195.19696    191.49258    184.05567    174.84793    171.97033    167.57156 
   164.86722    158.76757    154.07570    151.45809    148.46940    143.32008 
   137.17273    135.87131    130.63326    128.15352    126.17354    125.50526 
   119.77942    118.08820    117.05178    110.90212    107.71341    104.69645 
   103.09282     99.75180     95.81420     94.62017     93.19503     90.58091 
    89.61057     85.05178     80.90878     79.86000     78.26690     72.82817 
    72.31585     68.27072     66.29743     63.11488     60.00400     59.70606 
    59.07140     56.04623     52.71606     52.30374     50.05191     47.44182 
    42.87058     40.44363     37.51089     36.22974     34.35984     28.80576 
    28.62624     27.31985     23.02507     21.24494     20.49886     16.80271 
    13.79931     12.24308      9.92374      8.79313      6.98919      4.11983 
overlap for current and previous eigenvector    109 is         0.9999997029
overlap for current and previous eigenvector    110 is         0.9999995551
overlap for current and previous eigenvector    111 is         0.9999990887
overlap for current and previous eigenvector    112 is         0.9999940455
overlap for current and previous eigenvector    113 is        -0.9999947430
overlap for current and previous eigenvector    114 is         0.9999997243
J1,K1,R1,R2,RAT=   7   7   -0.7154072477E-02     2.006982119        0.9928459275    
FOB,PFOB,DIAG,PSTEP=   -0.4929733663E-05   -0.4894713517E-05     734.8516696        0.6661391116E-08
J1,K1,R1,R2,RAT=   8   8    0.1799903466E-02     1.998175160        0.9981751598    
FOB,PFOB,DIAG,PSTEP=   -0.5211859970E-05   -0.5221257847E-05     673.7781236        0.7749320978E-08
J1,K1,R1,R2,RAT=   9   9   -0.2606539632E-01     2.026025985        0.9739346037    
FOB,PFOB,DIAG,PSTEP=   -0.4799169922E-06   -0.4677253065E-06     627.2406622        0.7457018522E-09
J1,K1,R1,R2,RAT=  10  10   -0.1956517038E-01     2.019598353        0.9804348296    
FOB,PFOB,DIAG,PSTEP=    0.2169546897E-05    0.2127914576E-05     603.9532178       -0.3523251817E-08
J1,K1,R1,R2,RAT=  11  11   -0.5128289347E-02     2.005161558        0.9948717107    
FOB,PFOB,DIAG,PSTEP=   -0.1548693825E-05   -0.1540792327E-05     588.0415680        0.2620166297E-08
J1,K1,R1,R2,RAT= 109 109   -0.9500626970E-03     2.000883220        0.9990499373    
FOB,PFOB,DIAG,PSTEP=    0.7160839897E-04    0.7154042880E-04     13.79931500       -0.5184519657E-05
J1,K1,R1,R2,RAT= 110 110   -0.5668218987         126.8199749        0.4331781013    
FOB,PFOB,DIAG,PSTEP=    0.7798035730E-02    0.7728639253E-02     12.24308316       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3052772409         58.73866810        0.6947227591    
FOB,PFOB,DIAG,PSTEP=    0.2899388438E-02    0.2929683353E-02     9.923738449       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6788971415         152.7959719        0.3211028585    
FOB,PFOB,DIAG,PSTEP=    0.8426303002E-02    0.8351755383E-02     8.793125341       -0.1248781718E-04
J1,K1,R1,R2,RAT= 113 113     381.0424143       -0.9129964712        0.8700352875E-01
FOB,PFOB,DIAG,PSTEP=    0.2342282072E-01   -0.2331084455E-01     6.989190297        0.1754808212E-04
J1,K1,R1,R2,RAT= 114 114    0.9928883709        -837.1453790        0.7111629067E-02
FOB,PFOB,DIAG,PSTEP=   -0.6905980355       -0.6889618215         4.119833578       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
     0.00002     -0.00001     -0.00001      0.00002     -0.00000      0.00002 
    -0.00003     -0.00003     -0.00002     -0.00003     -0.00002      0.00002 
    -0.00001      0.00001     -0.00001      0.00003     -0.00001     -0.00006 
     0.00003      0.00003      0.00008      0.00001      0.00005     -0.00001 
     0.00001      0.00002     -0.00002     -0.00001      0.00002      0.00004 
     0.00004      0.00001     -0.00004      0.00001     -0.00004      0.00005 
    -0.00001     -0.00006      0.00002      0.00005      0.00002     -0.00001 
     0.00004      0.00005      0.00012      0.00009     -0.00002     -0.00010 
     0.00003     -0.00010      0.00006      0.00002     -0.00010      0.00000 
     0.00007      0.00780      0.00290      0.00843      0.02342     -0.69060 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4222674384
 Log product of positive Hessian eigenvalues =          519.7307835725
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1198335784
 Unscaled step for mode    7=        0.0000000067
 Unscaled step for mode    8=        0.0000000077
 Unscaled step for mode    9=        0.0000000008
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000053
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000014
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000140
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000405
 Unscaled step for mode   20=       -0.0000000173
 Unscaled step for mode   21=       -0.0000000173
 Unscaled step for mode   22=        0.0000000211
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000070
 Unscaled step for mode   25=        0.0000000596
 Unscaled step for mode   26=        0.0000001008
 Unscaled step for mode   27=        0.0000000520
 Unscaled step for mode   28=       -0.0000000454
 Unscaled step for mode   29=       -0.0000000431
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000538
 Unscaled step for mode   32=        0.0000000245
 Unscaled step for mode   33=       -0.0000000453
 Unscaled step for mode   34=       -0.0000000438
 Unscaled step for mode   35=       -0.0000000903
 Unscaled step for mode   36=       -0.0000000716
 Unscaled step for mode   37=        0.0000000733
 Unscaled step for mode   38=       -0.0000000004
 Unscaled step for mode   39=        0.0000000825
 Unscaled step for mode   40=        0.0000000609
 Unscaled step for mode   41=        0.0000001734
 Unscaled step for mode   42=        0.0000000582
 Unscaled step for mode   43=        0.0000000713
 Unscaled step for mode   44=        0.0000001289
 Unscaled step for mode   45=       -0.0000000044
 Unscaled step for mode   46=       -0.0000001273
 Unscaled step for mode   47=        0.0000001466
 Unscaled step for mode   48=       -0.0000000275
 Unscaled step for mode   49=        0.0000001335
 Unscaled step for mode   50=       -0.0000000490
 Unscaled step for mode   51=        0.0000000909
 Unscaled step for mode   52=        0.0000000229
 Unscaled step for mode   53=        0.0000000785
 Unscaled step for mode   54=        0.0000001122
 Unscaled step for mode   55=       -0.0000001254
 Unscaled step for mode   56=        0.0000000378
 Unscaled step for mode   57=        0.0000000731
 Unscaled step for mode   58=       -0.0000001638
 Unscaled step for mode   59=        0.0000000156
 Unscaled step for mode   60=       -0.0000001610
 Unscaled step for mode   61=        0.0000002168
 Unscaled step for mode   62=        0.0000002119
 Unscaled step for mode   63=        0.0000001741
 Unscaled step for mode   64=        0.0000002256
 Unscaled step for mode   65=        0.0000001674
 Unscaled step for mode   66=       -0.0000001483
 Unscaled step for mode   67=        0.0000000695
 Unscaled step for mode   68=       -0.0000000789
 Unscaled step for mode   69=        0.0000000537
 Unscaled step for mode   70=       -0.0000002469
 Unscaled step for mode   71=        0.0000000568
 Unscaled step for mode   72=        0.0000005955
 Unscaled step for mode   73=       -0.0000002789
 Unscaled step for mode   74=       -0.0000002810
 Unscaled step for mode   75=       -0.0000008081
 Unscaled step for mode   76=       -0.0000000714
 Unscaled step for mode   77=       -0.0000005866
 Unscaled step for mode   78=        0.0000000579
 Unscaled step for mode   79=       -0.0000000999
 Unscaled step for mode   80=       -0.0000002594
 Unscaled step for mode   81=        0.0000002856
 Unscaled step for mode   82=        0.0000000660
 Unscaled step for mode   83=       -0.0000002039
 Unscaled step for mode   84=       -0.0000006011
 Unscaled step for mode   85=       -0.0000005911
 Unscaled step for mode   86=       -0.0000001119
 Unscaled step for mode   87=        0.0000006592
 Unscaled step for mode   88=       -0.0000001080
 Unscaled step for mode   89=        0.0000006788
 Unscaled step for mode   90=       -0.0000008654
 Unscaled step for mode   91=        0.0000001801
 Unscaled step for mode   92=        0.0000011065
 Unscaled step for mode   93=       -0.0000004414
 Unscaled step for mode   94=       -0.0000009651
 Unscaled step for mode   95=       -0.0000004156
 Unscaled step for mode   96=        0.0000001060
 Unscaled step for mode   97=       -0.0000010046
 Unscaled step for mode   98=       -0.0000011559
 Unscaled step for mode   99=       -0.0000033245
 Unscaled step for mode  100=       -0.0000026112
 Unscaled step for mode  101=        0.0000006894
 Unscaled step for mode  102=        0.0000035338
 Unscaled step for mode  103=       -0.0000009302
 Unscaled step for mode  104=        0.0000035138
 Unscaled step for mode  105=       -0.0000026379
 Unscaled step for mode  106=       -0.0000009854
 Unscaled step for mode  107=        0.0000050355
 Unscaled step for mode  108=       -0.0000002302
 Unscaled step for mode  109=       -0.0000051893
 Unscaled step for mode  110=       -0.0006369337
 Unscaled step for mode  111=       -0.0002921669
 Unscaled step for mode  112=       -0.0009582822
 Unscaled step for mode  113=       -0.0033512548
 Unscaled step for mode  114=       -0.1631649366
 Largest modulus ratio of non-zero e/values=           178.3692607    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.876035E-16    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.118070E-15    0.100706E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.820091E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.645209E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.143470E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.367870E-15    0.973935E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.492973E-05    0.734852E+03  0.670847E-08 0.100000E-04    0.992846E+00
   8   -0.521186E-05    0.673778E+03  0.773528E-08 0.100000E-04    0.998175E+00
   9   -0.479917E-06    0.627241E+03  0.765124E-09 0.100000E-04    0.973935E+00
  10    0.216955E-05    0.603953E+03 -0.359224E-08 0.100000E-04    0.980435E+00
  11   -0.154869E-05    0.588042E+03  0.263365E-08 0.100000E-04    0.994872E+00
  12   -0.305744E-05    0.572447E+03  0.534099E-08 0.100000E-04    0.995448E+00
  13   -0.357145E-05    0.567025E+03  0.629859E-08 0.100000E-04    0.993197E+00
  14   -0.663152E-06    0.483519E+03  0.137151E-08 0.100000E-04    0.963493E+00
  15    0.184731E-05    0.464508E+03 -0.397691E-08 0.100000E-04    0.989257E+00
  16    0.645871E-05    0.461149E+03 -0.140057E-07 0.100000E-04    0.994656E+00
  17    0.457716E-05    0.441431E+03 -0.103689E-07 0.100000E-04    0.991745E+00
  18    0.498081E-05    0.429503E+03 -0.115967E-07 0.100000E-04    0.997837E+00
  19   -0.170776E-04    0.421922E+03  0.404759E-07 0.100000E-04    0.996640E+00
  20    0.704419E-05    0.408136E+03 -0.172594E-07 0.100000E-04    0.999427E+00
  21    0.686634E-05    0.397275E+03 -0.172836E-07 0.100000E-04    0.999545E+00
  22   -0.819147E-05    0.388796E+03  0.210688E-07 0.100000E-04    0.992988E+00
  23    0.736214E-06    0.368080E+03 -0.200015E-08 0.100000E-04    0.974600E+00
  24   -0.252988E-05    0.361548E+03  0.699736E-08 0.100000E-04    0.984905E+00
  25   -0.208903E-04    0.350672E+03  0.595723E-07 0.100000E-04    0.998075E+00
  26   -0.338474E-04    0.335785E+03  0.100801E-06 0.100000E-04    0.997693E+00
  27   -0.169748E-04    0.326236E+03  0.520323E-07 0.100000E-04    0.999170E+00
  28    0.145786E-04    0.321430E+03 -0.453553E-07 0.100000E-04    0.998244E+00
  29    0.138200E-04    0.320300E+03 -0.431471E-07 0.100000E-04    0.982026E+00
  30   -0.250042E-04    0.312132E+03  0.801078E-07 0.100000E-04    0.998143E+00
  31   -0.163270E-04    0.303662E+03  0.537671E-07 0.100000E-04    0.997628E+00
  32   -0.707036E-05    0.288797E+03  0.244821E-07 0.100000E-04    0.992258E+00
  33    0.126229E-04    0.278670E+03 -0.452969E-07 0.100000E-04    0.993272E+00
  34    0.118754E-04    0.270856E+03 -0.438440E-07 0.100000E-04    0.991391E+00
  35    0.241273E-04    0.267081E+03 -0.903370E-07 0.100000E-04    0.998701E+00
  36    0.189243E-04    0.264381E+03 -0.715795E-07 0.100000E-04    0.996779E+00
  37   -0.190648E-04    0.259934E+03  0.733445E-07 0.100000E-04    0.997265E+00
  38    0.111928E-06    0.253937E+03 -0.440772E-09 0.109000E-04    0.248670E-01
  39   -0.199719E-04    0.242166E+03  0.824721E-07 0.100000E-04    0.997298E+00
  40   -0.145314E-04    0.238537E+03  0.609186E-07 0.100000E-04    0.986914E+00
  41   -0.407119E-04    0.234788E+03  0.173399E-06 0.100000E-04    0.997723E+00
  42   -0.132950E-04    0.228411E+03  0.582065E-07 0.100000E-04    0.996352E+00
  43   -0.156734E-04    0.219705E+03  0.713384E-07 0.100000E-04    0.997883E+00
  44   -0.275841E-04    0.213939E+03  0.128934E-06 0.100000E-04    0.996892E+00
  45    0.933488E-06    0.212442E+03 -0.439409E-08 0.100000E-04    0.899705E+00
  46    0.263742E-04    0.207255E+03 -0.127255E-06 0.100000E-04    0.996364E+00
  47   -0.298460E-04    0.203573E+03  0.146611E-06 0.100000E-04    0.998566E+00
  48    0.542503E-05    0.197350E+03 -0.274894E-07 0.100000E-04    0.992794E+00
  49   -0.260525E-04    0.195197E+03  0.133468E-06 0.100000E-04    0.999735E+00
  50    0.938107E-05    0.191493E+03 -0.489892E-07 0.100000E-04    0.984326E+00
  51   -0.167348E-04    0.184056E+03  0.909227E-07 0.100000E-04    0.999510E+00
  52   -0.399917E-05    0.174848E+03  0.228723E-07 0.100000E-04    0.995536E+00
  53   -0.135016E-04    0.171970E+03  0.785114E-07 0.100000E-04    0.997126E+00
  54   -0.188034E-04    0.167572E+03  0.112211E-06 0.100000E-04    0.998046E+00
  55    0.206749E-04    0.164867E+03 -0.125403E-06 0.100000E-04    0.999240E+00
  56   -0.600465E-05    0.158768E+03  0.378204E-07 0.100000E-04    0.991852E+00
  57   -0.112605E-04    0.154076E+03  0.730845E-07 0.100000E-04    0.993460E+00
  58    0.248154E-04    0.151458E+03 -0.163843E-06 0.100000E-04    0.998399E+00
  59   -0.232080E-05    0.148469E+03  0.156315E-07 0.100000E-04    0.955686E+00
  60    0.230800E-04    0.143320E+03 -0.161038E-06 0.100000E-04    0.999554E+00
  61   -0.297404E-04    0.137173E+03  0.216810E-06 0.100000E-04    0.992333E+00
  62   -0.287844E-04    0.135871E+03  0.211851E-06 0.100000E-04    0.999133E+00
  63   -0.227397E-04    0.130633E+03  0.174073E-06 0.100000E-04    0.995452E+00
  64   -0.289081E-04    0.128154E+03  0.225574E-06 0.100000E-04    0.994933E+00
  65   -0.211204E-04    0.126174E+03  0.167392E-06 0.100000E-04    0.990733E+00
  66    0.186151E-04    0.125505E+03 -0.148322E-06 0.100000E-04    0.996484E+00
  67   -0.832411E-05    0.119779E+03  0.694953E-07 0.100000E-04    0.999321E+00
  68    0.932025E-05    0.118088E+03 -0.789261E-07 0.100000E-04    0.998036E+00
  69   -0.628366E-05    0.117052E+03  0.536827E-07 0.100000E-04    0.988206E+00
  70    0.273822E-04    0.110902E+03 -0.246905E-06 0.100000E-04    0.998642E+00
  71   -0.611303E-05    0.107713E+03  0.567527E-07 0.100000E-04    0.997485E+00
  72   -0.623423E-04    0.104696E+03  0.595457E-06 0.100000E-04    0.994439E+00
  73    0.287528E-04    0.103093E+03 -0.278902E-06 0.100000E-04    0.998085E+00
  74    0.280341E-04    0.997518E+02 -0.281039E-06 0.100000E-04    0.998147E+00
  75    0.774251E-04    0.958142E+02 -0.808075E-06 0.100000E-04    0.997583E+00
  76    0.675835E-05    0.946202E+02 -0.714261E-07 0.100000E-04    0.900985E+00
  77    0.546679E-04    0.931950E+02 -0.586596E-06 0.100000E-04    0.996271E+00
  78   -0.524565E-05    0.905809E+02  0.579112E-07 0.100000E-04    0.997700E+00
  79    0.895322E-05    0.896106E+02 -0.999125E-07 0.100000E-04    0.995745E+00
  80    0.220617E-04    0.850518E+02 -0.259392E-06 0.100000E-04    0.998089E+00
  81   -0.231082E-04    0.809088E+02  0.285608E-06 0.100000E-04    0.997074E+00
  82   -0.526709E-05    0.798600E+02  0.659541E-07 0.100000E-04    0.990727E+00
  83    0.159559E-04    0.782669E+02 -0.203865E-06 0.100000E-04    0.992361E+00
  84    0.437792E-04    0.728282E+02 -0.601130E-06 0.100000E-04    0.992357E+00
  85    0.427491E-04    0.723159E+02 -0.591145E-06 0.100000E-04    0.996996E+00
  86    0.763797E-05    0.682707E+02 -0.111878E-06 0.100000E-04    0.973738E+00
  87   -0.437059E-04    0.662974E+02  0.659240E-06 0.100000E-04    0.998972E+00
  88    0.681594E-05    0.631149E+02 -0.107993E-06 0.100000E-04    0.984260E+00
  89   -0.407288E-04    0.600040E+02  0.678768E-06 0.100000E-04    0.980165E+00
  90    0.516708E-04    0.597061E+02 -0.865420E-06 0.100000E-04    0.981590E+00
  91   -0.106397E-04    0.590714E+02  0.180115E-06 0.100000E-04    0.963895E+00
  92   -0.620125E-04    0.560462E+02  0.110645E-05 0.100000E-04    0.997907E+00
  93    0.232682E-04    0.527161E+02 -0.441386E-06 0.100000E-04    0.993804E+00
  94    0.504792E-04    0.523037E+02 -0.965117E-06 0.100000E-04    0.994550E+00
  95    0.208029E-04    0.500519E+02 -0.415627E-06 0.100000E-04    0.995048E+00
  96   -0.502674E-05    0.474418E+02  0.105956E-06 0.100000E-04    0.957978E+00
  97    0.430683E-04    0.428706E+02 -0.100461E-05 0.100000E-04    0.992102E+00
  98    0.467490E-04    0.404436E+02 -0.115591E-05 0.100000E-04    0.994498E+00
  99    0.124706E-03    0.375109E+02 -0.332453E-05 0.100000E-04    0.996426E+00
 100    0.946045E-04    0.362297E+02 -0.261124E-05 0.100000E-04    0.997192E+00
 101   -0.236869E-04    0.343598E+02  0.689379E-06 0.100000E-04    0.978309E+00
 102   -0.101794E-03    0.288058E+02  0.353382E-05 0.100000E-04    0.996334E+00
 103    0.266293E-04    0.286262E+02 -0.930242E-06 0.100000E-04    0.988226E+00
 104   -0.959952E-04    0.273198E+02  0.351375E-05 0.100000E-04    0.989272E+00
 105    0.607390E-04    0.230251E+02 -0.263795E-05 0.100000E-04    0.997782E+00
 106    0.209342E-04    0.212449E+02 -0.985372E-06 0.100000E-04    0.919132E+00
 107   -0.103222E-03    0.204989E+02  0.503548E-05 0.100000E-04    0.990529E+00
 108    0.386762E-05    0.168027E+02 -0.230178E-06 0.100000E-04    0.738770E+00
 109    0.716084E-04    0.137993E+02 -0.518927E-05 0.100000E-04    0.999050E+00
 110    0.779804E-02    0.122431E+02 -0.100000E-04 0.100000E-04    0.433178E+00
 111    0.289939E-02    0.992374E+01 -0.100000E-04 0.100000E-04    0.694723E+00
 112    0.842630E-02    0.879313E+01 -0.112503E-04 0.112503E-04    0.321103E+00
 113    0.234228E-01    0.698919E+01 -0.191274E-04 0.191274E-04    0.870035E-01
 114   -0.690598E+00    0.411983E+01 -0.400000E-03 0.400000E-03    0.711163E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1631649366    

 Beginning of optimization cycle  353.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3502722386
 potential> RMS force:                                               0.0648805526   |gradient|=.6927347372    
 Eigenvalues of the Hessian matrix:
   734.91488    673.78632    627.25296    603.94335    588.03166    572.48990 
   567.02820    483.54492    464.48468    461.14270    441.43273    429.49609 
   421.92525    408.14321    397.27016    388.79393    368.08802    361.53959 
   350.66439    335.77004    326.24998    321.43020    320.30026    312.10967 
   303.64858    288.80651    278.66476    270.86122    267.08972    264.38714 
   259.95070    253.93754    242.16163    238.55040    234.77517    228.40603 
   219.68412    213.94673    212.44841    207.25155    203.57345    197.34267 
   195.19344    191.49097    184.04579    174.83768    171.97563    167.57294 
   164.85934    158.75666    154.08085    151.46385    148.46054    143.32228 
   137.17588    135.87340    130.63168    128.15815    126.17687    125.50155 
   119.78115    118.08901    117.05307    110.89655    107.70593    104.69359 
   103.09286     99.75069     95.81126     94.60890     93.20693     90.58495 
    89.60528     85.05472     80.90850     79.86225     78.26572     72.83036 
    72.32051     68.27003     66.28522     63.11007     59.99903     59.70370 
    59.07113     56.04650     52.71313     52.30439     50.05092     47.43675 
    42.87032     40.44622     37.51505     36.23247     34.34767     28.80538 
    28.62496     27.31185     23.02704     21.23849     20.50310     16.80207 
    13.79977     12.24290      9.92521      8.78747      6.98182      4.11467 
overlap for current and previous eigenvector    109 is         0.9999997012
overlap for current and previous eigenvector    110 is         0.9999995542
overlap for current and previous eigenvector    111 is         0.9999991005
overlap for current and previous eigenvector    112 is         0.9999940615
overlap for current and previous eigenvector    113 is        -0.9999947460
overlap for current and previous eigenvector    114 is         0.9999997244
J1,K1,R1,R2,RAT=   7   7   -0.5651904340E-02     2.005479882        0.9943480957    
FOB,PFOB,DIAG,PSTEP=   -0.4957598443E-05   -0.4929733663E-05     734.9148804        0.6708474467E-08
J1,K1,R1,R2,RAT=   8   8   -0.8606795142E-02     2.008582458        0.9913932049    
FOB,PFOB,DIAG,PSTEP=   -0.5256717927E-05   -0.5211859970E-05     673.7863227        0.7735276328E-08
J1,K1,R1,R2,RAT=   9   9   -0.1352646672E-01     2.013487242        0.9864735333    
FOB,PFOB,DIAG,PSTEP=   -0.4864087008E-06   -0.4799169922E-06     627.2529640        0.7651241719E-09
J1,K1,R1,R2,RAT=  10  10    0.1046684549E-01     1.989565830        0.9895331545    
FOB,PFOB,DIAG,PSTEP=    0.2146838955E-05    0.2169546897E-05     603.9433508       -0.3592243294E-08
J1,K1,R1,R2,RAT=  11  11   -0.7362826280E-02     2.007396528        0.9926371737    
FOB,PFOB,DIAG,PSTEP=   -0.1560096396E-05   -0.1548693825E-05     588.0316591        0.2633646852E-08
J1,K1,R1,R2,RAT= 109 109    0.5433711732E-02     1.994499757        0.9944997569    
FOB,PFOB,DIAG,PSTEP=    0.7121928662E-04    0.7160839897E-04     13.79977406       -0.5189272002E-05
J1,K1,R1,R2,RAT= 110 110   -0.5583675417         127.9470449        0.4416324583    
FOB,PFOB,DIAG,PSTEP=    0.7866396123E-02    0.7798035730E-02     12.24290242       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3113939727         58.11334028        0.6886060273    
FOB,PFOB,DIAG,PSTEP=    0.2868481936E-02    0.2899388438E-02     9.925208818       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8705981476         171.3374248        0.1294018524    
FOB,PFOB,DIAG,PSTEP=    0.8512371640E-02    0.8426303002E-02     8.787465595       -0.1125028575E-04
J1,K1,R1,R2,RAT= 113 113     351.5649876       -0.7771663421        0.2228336579    
FOB,PFOB,DIAG,PSTEP=   -0.2352660670E-01    0.2342282072E-01     6.981818056       -0.1912740951E-04
J1,K1,R1,R2,RAT= 114 114    0.9928029738        -840.1820752        0.7197026239E-02
FOB,PFOB,DIAG,PSTEP=   -0.6922320597       -0.6905980355         4.114673878       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001     -0.00002      0.00000      0.00002 
     0.00003     -0.00003      0.00002      0.00003      0.00002     -0.00002 
     0.00001     -0.00001      0.00001      0.00003      0.00001      0.00006 
    -0.00003      0.00003      0.00008      0.00001     -0.00005      0.00001 
    -0.00001      0.00002     -0.00002     -0.00001     -0.00002     -0.00004 
    -0.00004     -0.00001     -0.00004      0.00001     -0.00004     -0.00005 
    -0.00001     -0.00006      0.00002     -0.00005     -0.00002      0.00000 
    -0.00004     -0.00005      0.00012     -0.00009     -0.00002      0.00010 
    -0.00003     -0.00010     -0.00006     -0.00002     -0.00010     -0.00000 
     0.00007      0.00787      0.00287      0.00851     -0.02353     -0.69223 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4220974611
 Log product of positive Hessian eigenvalues =          519.7268192973
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1146738785
 Unscaled step for mode    7=        0.0000000067
 Unscaled step for mode    8=        0.0000000078
 Unscaled step for mode    9=        0.0000000008
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000054
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=        0.0000000013
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000140
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000405
 Unscaled step for mode   20=       -0.0000000172
 Unscaled step for mode   21=       -0.0000000172
 Unscaled step for mode   22=        0.0000000211
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000071
 Unscaled step for mode   25=        0.0000000597
 Unscaled step for mode   26=        0.0000001009
 Unscaled step for mode   27=        0.0000000522
 Unscaled step for mode   28=       -0.0000000454
 Unscaled step for mode   29=       -0.0000000437
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000542
 Unscaled step for mode   32=        0.0000000245
 Unscaled step for mode   33=       -0.0000000453
 Unscaled step for mode   34=       -0.0000000440
 Unscaled step for mode   35=       -0.0000000905
 Unscaled step for mode   36=       -0.0000000718
 Unscaled step for mode   37=        0.0000000735
 Unscaled step for mode   38=       -0.0000000006
 Unscaled step for mode   39=        0.0000000826
 Unscaled step for mode   40=        0.0000000615
 Unscaled step for mode   41=        0.0000001739
 Unscaled step for mode   42=        0.0000000585
 Unscaled step for mode   43=        0.0000000719
 Unscaled step for mode   44=        0.0000001296
 Unscaled step for mode   45=       -0.0000000041
 Unscaled step for mode   46=       -0.0000001278
 Unscaled step for mode   47=        0.0000001466
 Unscaled step for mode   48=       -0.0000000276
 Unscaled step for mode   49=        0.0000001341
 Unscaled step for mode   50=       -0.0000000484
 Unscaled step for mode   51=        0.0000000914
 Unscaled step for mode   52=        0.0000000232
 Unscaled step for mode   53=        0.0000000787
 Unscaled step for mode   54=        0.0000001129
 Unscaled step for mode   55=       -0.0000001255
 Unscaled step for mode   56=       -0.0000000374
 Unscaled step for mode   57=       -0.0000000735
 Unscaled step for mode   58=        0.0000001641
 Unscaled step for mode   59=       -0.0000000157
 Unscaled step for mode   60=       -0.0000001616
 Unscaled step for mode   61=       -0.0000002171
 Unscaled step for mode   62=        0.0000002112
 Unscaled step for mode   63=       -0.0000001733
 Unscaled step for mode   64=       -0.0000002268
 Unscaled step for mode   65=       -0.0000001680
 Unscaled step for mode   66=        0.0000001469
 Unscaled step for mode   67=       -0.0000000702
 Unscaled step for mode   68=        0.0000000790
 Unscaled step for mode   69=       -0.0000000536
 Unscaled step for mode   70=       -0.0000002483
 Unscaled step for mode   71=       -0.0000000569
 Unscaled step for mode   72=       -0.0000005966
 Unscaled step for mode   73=        0.0000002795
 Unscaled step for mode   74=       -0.0000002799
 Unscaled step for mode   75=       -0.0000008102
 Unscaled step for mode   76=       -0.0000000768
 Unscaled step for mode   77=        0.0000005842
 Unscaled step for mode   78=       -0.0000000611
 Unscaled step for mode   79=        0.0000000987
 Unscaled step for mode   80=       -0.0000002602
 Unscaled step for mode   81=        0.0000002861
 Unscaled step for mode   82=        0.0000000688
 Unscaled step for mode   83=        0.0000002057
 Unscaled step for mode   84=        0.0000006021
 Unscaled step for mode   85=        0.0000005881
 Unscaled step for mode   86=        0.0000001149
 Unscaled step for mode   87=        0.0000006603
 Unscaled step for mode   88=       -0.0000001083
 Unscaled step for mode   89=        0.0000006672
 Unscaled step for mode   90=        0.0000008752
 Unscaled step for mode   91=        0.0000001844
 Unscaled step for mode   92=        0.0000011093
 Unscaled step for mode   93=       -0.0000004347
 Unscaled step for mode   94=        0.0000009653
 Unscaled step for mode   95=        0.0000004089
 Unscaled step for mode   96=       -0.0000001048
 Unscaled step for mode   97=        0.0000010012
 Unscaled step for mode   98=        0.0000011585
 Unscaled step for mode   99=       -0.0000033192
 Unscaled step for mode  100=        0.0000026084
 Unscaled step for mode  101=        0.0000006872
 Unscaled step for mode  102=       -0.0000035306
 Unscaled step for mode  103=        0.0000009419
 Unscaled step for mode  104=        0.0000035098
 Unscaled step for mode  105=        0.0000026522
 Unscaled step for mode  106=        0.0000009598
 Unscaled step for mode  107=        0.0000050520
 Unscaled step for mode  108=        0.0000002312
 Unscaled step for mode  109=       -0.0000051609
 Unscaled step for mode  110=       -0.0006425268
 Unscaled step for mode  111=       -0.0002890097
 Unscaled step for mode  112=       -0.0009686938
 Unscaled step for mode  113=        0.0033696581
 Unscaled step for mode  114=       -0.1637252747
 Largest modulus ratio of non-zero e/values=           178.6082937    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.191253E-15    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.129118E-14    0.100705E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.304498E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.114925E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.107191E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.112806E-14    0.973936E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.495760E-05    0.734915E+03  0.674581E-08 0.100000E-04    0.994348E+00
   8   -0.525672E-05    0.673786E+03  0.780176E-08 0.100000E-04    0.991393E+00
   9   -0.486409E-06    0.627253E+03  0.775459E-09 0.100000E-04    0.986474E+00
  10    0.214684E-05    0.603943E+03 -0.355470E-08 0.100000E-04    0.989533E+00
  11   -0.156010E-05    0.588032E+03  0.265308E-08 0.100000E-04    0.992637E+00
  12   -0.311216E-05    0.572490E+03  0.543619E-08 0.100000E-04    0.982101E+00
  13   -0.360316E-05    0.567028E+03  0.635447E-08 0.100000E-04    0.991122E+00
  14   -0.608129E-06    0.483545E+03  0.125765E-08 0.100000E-04    0.916925E+00
  15    0.187668E-05    0.464485E+03 -0.404035E-08 0.100000E-04    0.984097E+00
  16    0.646703E-05    0.461143E+03 -0.140239E-07 0.100000E-04    0.998712E+00
  17    0.456513E-05    0.441433E+03 -0.103416E-07 0.100000E-04    0.997363E+00
  18    0.500047E-05    0.429496E+03 -0.116426E-07 0.100000E-04    0.996052E+00
  19   -0.171040E-04    0.421925E+03  0.405380E-07 0.100000E-04    0.998456E+00
  20    0.701267E-05    0.408143E+03 -0.171819E-07 0.100000E-04    0.995492E+00
  21    0.684694E-05    0.397270E+03 -0.172350E-07 0.100000E-04    0.997176E+00
  22   -0.820974E-05    0.388794E+03  0.211159E-07 0.100000E-04    0.997769E+00
  23    0.761832E-06    0.368088E+03 -0.206970E-08 0.100000E-04    0.965203E+00
  24   -0.255362E-05    0.361540E+03  0.706317E-08 0.100000E-04    0.990618E+00
  25   -0.209475E-04    0.350664E+03  0.597365E-07 0.100000E-04    0.997265E+00
  26   -0.338808E-04    0.335770E+03  0.100905E-06 0.100000E-04    0.999014E+00
  27   -0.170144E-04    0.326250E+03  0.521514E-07 0.100000E-04    0.997668E+00
  28    0.145879E-04    0.321430E+03 -0.453844E-07 0.100000E-04    0.999359E+00
  29    0.139984E-04    0.320300E+03 -0.437039E-07 0.100000E-04    0.987096E+00
  30   -0.250375E-04    0.312110E+03  0.802202E-07 0.100000E-04    0.998667E+00
  31   -0.164504E-04    0.303649E+03  0.541758E-07 0.100000E-04    0.992443E+00
  32   -0.708148E-05    0.288807E+03  0.245198E-07 0.100000E-04    0.998427E+00
  33    0.126155E-04    0.278665E+03 -0.452714E-07 0.100000E-04    0.999418E+00
  34    0.119192E-04    0.270861E+03 -0.440048E-07 0.100000E-04    0.996312E+00
  35    0.241646E-04    0.267090E+03 -0.904737E-07 0.100000E-04    0.998454E+00
  36    0.189833E-04    0.264387E+03 -0.718010E-07 0.100000E-04    0.996882E+00
  37   -0.191131E-04    0.259951E+03  0.735259E-07 0.100000E-04    0.997464E+00
  38    0.157584E-06    0.253938E+03 -0.620563E-09 0.100000E-04    0.592098E+00
  39   -0.199950E-04    0.242162E+03  0.825687E-07 0.100000E-04    0.998847E+00
  40   -0.146790E-04    0.238550E+03  0.615343E-07 0.100000E-04    0.989840E+00
  41   -0.408209E-04    0.234775E+03  0.173872E-06 0.100000E-04    0.997323E+00
  42   -0.133655E-04    0.228406E+03  0.585165E-07 0.100000E-04    0.994695E+00
  43   -0.157879E-04    0.219684E+03  0.718664E-07 0.100000E-04    0.992694E+00
  44   -0.277370E-04    0.213947E+03  0.129644E-06 0.100000E-04    0.994458E+00
  45    0.880178E-06    0.212448E+03 -0.414302E-08 0.100000E-04    0.942833E+00
  46    0.264901E-04    0.207252E+03 -0.127816E-06 0.100000E-04    0.995605E+00
  47   -0.298531E-04    0.203573E+03  0.146645E-06 0.100000E-04    0.999761E+00
  48    0.545422E-05    0.197343E+03 -0.276383E-07 0.100000E-04    0.994620E+00
  49   -0.261763E-04    0.195193E+03  0.134105E-06 0.100000E-04    0.995246E+00
  50    0.926453E-05    0.191491E+03 -0.483810E-07 0.100000E-04    0.987577E+00
  51   -0.168201E-04    0.184046E+03  0.913909E-07 0.100000E-04    0.994904E+00
  52   -0.405436E-05    0.174838E+03  0.231893E-07 0.100000E-04    0.986199E+00
  53   -0.135405E-04    0.171976E+03  0.787347E-07 0.100000E-04    0.997125E+00
  54   -0.189212E-04    0.167573E+03  0.112913E-06 0.100000E-04    0.993738E+00
  55    0.206937E-04    0.164859E+03 -0.125523E-06 0.100000E-04    0.999092E+00
  56    0.594238E-05    0.158757E+03 -0.374308E-07 0.100000E-04    0.989630E+00
  57    0.113272E-04    0.154081E+03 -0.735145E-07 0.100000E-04    0.994082E+00
  58   -0.248551E-04    0.151464E+03  0.164099E-06 0.100000E-04    0.998399E+00
  59    0.232568E-05    0.148461E+03 -0.156653E-07 0.100000E-04    0.997899E+00
  60    0.231654E-04    0.143322E+03 -0.161631E-06 0.100000E-04    0.996302E+00
  61    0.297836E-04    0.137176E+03 -0.217120E-06 0.100000E-04    0.998548E+00
  62   -0.286933E-04    0.135873E+03  0.211177E-06 0.100000E-04    0.996803E+00
  63    0.226322E-04    0.130632E+03 -0.173252E-06 0.100000E-04    0.995273E+00
  64    0.290654E-04    0.128158E+03 -0.226793E-06 0.100000E-04    0.994559E+00
  65    0.212005E-04    0.126177E+03 -0.168022E-06 0.100000E-04    0.996208E+00
  66   -0.184385E-04    0.125502E+03  0.146919E-06 0.100000E-04    0.990512E+00
  67    0.841127E-05    0.119781E+03 -0.702220E-07 0.100000E-04    0.989529E+00
  68   -0.932315E-05    0.118089E+03  0.789502E-07 0.100000E-04    0.999689E+00
  69    0.627627E-05    0.117053E+03 -0.536190E-07 0.100000E-04    0.998802E+00
  70    0.275360E-04    0.110897E+03 -0.248303E-06 0.100000E-04    0.994385E+00
  71    0.612960E-05    0.107706E+03 -0.569105E-07 0.100000E-04    0.997288E+00
  72    0.624558E-04    0.104694E+03 -0.596558E-06 0.100000E-04    0.998179E+00
  73   -0.288154E-04    0.103093E+03  0.279509E-06 0.100000E-04    0.997825E+00
  74    0.279168E-04    0.997507E+02 -0.279866E-06 0.100000E-04    0.995815E+00
  75    0.776291E-04    0.958113E+02 -0.810229E-06 0.100000E-04    0.997365E+00
  76    0.726799E-05    0.946089E+02 -0.768214E-07 0.100000E-04    0.924583E+00
  77   -0.544505E-04    0.932069E+02  0.584190E-06 0.100000E-04    0.995770E+00
  78    0.553158E-05    0.905850E+02 -0.610652E-07 0.100000E-04    0.945493E+00
  79   -0.884196E-05    0.896053E+02  0.986767E-07 0.100000E-04    0.987573E+00
  80    0.221313E-04    0.850547E+02 -0.260201E-06 0.100000E-04    0.996846E+00
  81   -0.231466E-04    0.809085E+02  0.286084E-06 0.100000E-04    0.998336E+00
  82   -0.549144E-05    0.798623E+02  0.687614E-07 0.100000E-04    0.957408E+00
  83   -0.160966E-04    0.782657E+02  0.205666E-06 0.100000E-04    0.991182E+00
  84   -0.438503E-04    0.728304E+02  0.602088E-06 0.100000E-04    0.998377E+00
  85   -0.425350E-04    0.723205E+02  0.588146E-06 0.100000E-04    0.994863E+00
  86   -0.784635E-05    0.682700E+02  0.114931E-06 0.100000E-04    0.972718E+00
  87   -0.437705E-04    0.662852E+02  0.660335E-06 0.100000E-04    0.998524E+00
  88    0.683619E-05    0.631101E+02 -0.108322E-06 0.100000E-04    0.997029E+00
  89   -0.400336E-04    0.599990E+02  0.667237E-06 0.100000E-04    0.982929E+00
  90   -0.522545E-04    0.597037E+02  0.875231E-06 0.100000E-04    0.988703E+00
  91   -0.108920E-04    0.590711E+02  0.184387E-06 0.100000E-04    0.976285E+00
  92   -0.621696E-04    0.560465E+02  0.110925E-05 0.100000E-04    0.997467E+00
  93    0.229144E-04    0.527131E+02 -0.434700E-06 0.100000E-04    0.984796E+00
  94   -0.504882E-04    0.523044E+02  0.965277E-06 0.100000E-04    0.999822E+00
  95   -0.204666E-04    0.500509E+02  0.408915E-06 0.100000E-04    0.983831E+00
  96    0.497128E-05    0.474368E+02 -0.104798E-06 0.100000E-04    0.988967E+00
  97   -0.429222E-04    0.428703E+02  0.100121E-05 0.100000E-04    0.996608E+00
  98   -0.468568E-04    0.404462E+02  0.115850E-05 0.100000E-04    0.997694E+00
  99    0.124518E-03    0.375150E+02 -0.331915E-05 0.100000E-04    0.998271E+00
 100   -0.945093E-04    0.362325E+02  0.260842E-05 0.100000E-04    0.998843E+00
 101   -0.236025E-04    0.343477E+02  0.687164E-06 0.100000E-04    0.996432E+00
 102    0.101702E-03    0.288054E+02 -0.353065E-05 0.100000E-04    0.999088E+00
 103   -0.269612E-04    0.286250E+02  0.941878E-06 0.100000E-04    0.987536E+00
 104   -0.958597E-04    0.273118E+02  0.350982E-05 0.100000E-04    0.998589E+00
 105   -0.610712E-04    0.230270E+02  0.265215E-05 0.100000E-04    0.994531E+00
 106   -0.203837E-04    0.212385E+02  0.959751E-06 0.100000E-04    0.973695E+00
 107   -0.103582E-03    0.205031E+02  0.505200E-05 0.100000E-04    0.996513E+00
 108   -0.388490E-05    0.168021E+02  0.231215E-06 0.100000E-04    0.995531E+00
 109    0.712193E-04    0.137998E+02 -0.516090E-05 0.100000E-04    0.994500E+00
 110    0.786640E-02    0.122429E+02 -0.100000E-04 0.100000E-04    0.441632E+00
 111    0.286848E-02    0.992521E+01 -0.100000E-04 0.100000E-04    0.688606E+00
 112    0.851237E-02    0.878747E+01 -0.122628E-04 0.122628E-04    0.129402E+00
 113   -0.235266E-01    0.698182E+01  0.172319E-04 0.172319E-04    0.222834E+00
 114   -0.692232E+00    0.411467E+01 -0.400000E-03 0.400000E-03    0.719703E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1637252747    

 Beginning of optimization cycle  354.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3499956327
 potential> RMS force:                                               0.0650338072   |gradient|=.6943710487    
 Eigenvalues of the Hessian matrix:
   734.97807    673.79471    627.26529    603.93319    588.02190    572.53271 
   567.03189    483.57103    464.46142    461.13629    441.43471    429.48876 
   421.92862    408.15008    397.26507    388.79191    368.09622    361.53110 
   350.65693    335.75474    326.26416    321.43025    320.29986    312.08780 
   303.63497    288.81609    278.65995    270.86655    267.09820    264.39328 
   259.96677    253.93806    242.15721    238.56326    234.76276    228.40105 
   219.66328    213.95431    212.45487    207.24789    203.57386    197.33504 
   195.18986    191.48938    184.03588    174.82748    171.98091    167.57430 
   164.85144    158.74577    154.08596    151.46964    148.45170    143.32454 
   137.17903    135.87544    130.63016    128.16274    126.18024    125.49784 
   119.78291    118.08984    117.05440    110.89100    107.69856    104.69079 
   103.09288     99.74960     95.80846     94.59752     93.21878     90.58896 
    89.59999     85.05765     80.90821     79.86445     78.26456     72.83262 
    72.32523     68.26942     66.27308     63.10523     59.99429     59.70123 
    59.07087     56.04681     52.71027     52.30507     50.04994     47.43172 
    42.87008     40.44883     37.51924     36.23532     34.33554     28.80500 
    28.62367     27.30387     23.02898     21.23206     20.50736     16.80143 
    13.80024     12.24272      9.92667      8.78186      6.97442      4.10950 
overlap for current and previous eigenvector    109 is         0.9999997054
overlap for current and previous eigenvector    110 is        -0.9999995583
overlap for current and previous eigenvector    111 is        -0.9999991410
overlap for current and previous eigenvector    112 is        -0.9999941657
overlap for current and previous eigenvector    113 is         0.9999948104
overlap for current and previous eigenvector    114 is         0.9999997271
J1,K1,R1,R2,RAT=   7   7   -0.7166385905E-02     2.006994424        0.9928336141    
FOB,PFOB,DIAG,PSTEP=   -0.4993129561E-05   -0.4957598443E-05     734.9780745        0.6745813121E-08
J1,K1,R1,R2,RAT=   8   8    0.1729662052E-02     1.998245449        0.9982454486    
FOB,PFOB,DIAG,PSTEP=   -0.5247625468E-05   -0.5256717927E-05     673.7947079        0.7801758138E-08
J1,K1,R1,R2,RAT=   9   9   -0.2352410913E-01     2.023484821        0.9764758909    
FOB,PFOB,DIAG,PSTEP=   -0.4978512569E-06   -0.4864087008E-06     627.2652861        0.7754585927E-09
J1,K1,R1,R2,RAT=  10  10   -0.1877261239E-01     2.018806275        0.9812273876    
FOB,PFOB,DIAG,PSTEP=    0.2187140053E-05    0.2146838955E-05     603.9331859       -0.3554702527E-08
J1,K1,R1,R2,RAT=  11  11   -0.4827707498E-02     2.004860898        0.9951722925    
FOB,PFOB,DIAG,PSTEP=   -0.1567627960E-05   -0.1560096396E-05     588.0219006        0.2653082316E-08
J1,K1,R1,R2,RAT= 109 109   -0.3673232584E-03     2.000300060        0.9996326767    
FOB,PFOB,DIAG,PSTEP=    0.7124544800E-04    0.7121928662E-04     13.80023818       -0.5160902369E-05
J1,K1,R1,R2,RAT= 110 110     129.0781915       -0.5709108257        0.4290891743    
FOB,PFOB,DIAG,PSTEP=   -0.7936291162E-02    0.7866396123E-02     12.24272443       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     57.48332505        0.3101053516        0.6898946484    
FOB,PFOB,DIAG,PSTEP=   -0.2837698797E-02    0.2868481936E-02     9.926671305       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     158.7932237       -0.7033275591        0.2966724409    
FOB,PFOB,DIAG,PSTEP=   -0.8588113173E-02    0.8512371640E-02     8.781857917       -0.1226281147E-04
J1,K1,R1,R2,RAT= 113 113   -0.9442292968         392.4586053        0.5577070319E-01
FOB,PFOB,DIAG,PSTEP=   -0.2364008662E-01   -0.2352660670E-01     6.974424820        0.1723190046E-04
J1,K1,R1,R2,RAT= 114 114    0.9928434404        -843.2263384        0.7156559554E-02
FOB,PFOB,DIAG,PSTEP=   -0.6938640965       -0.6922320597         4.109502079       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00001     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002      0.00001      0.00001     -0.00002     -0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003     -0.00002      0.00002 
     0.00001     -0.00001      0.00001     -0.00003     -0.00001      0.00006 
    -0.00003     -0.00003      0.00008     -0.00001     -0.00005     -0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001     -0.00002      0.00004 
    -0.00004     -0.00001     -0.00004      0.00001      0.00004     -0.00005 
    -0.00001     -0.00006      0.00002     -0.00005      0.00002      0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009     -0.00002     -0.00010 
     0.00003      0.00010      0.00006      0.00002      0.00010     -0.00000 
     0.00007     -0.00794     -0.00284     -0.00859     -0.02364     -0.69386 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4219214672
 Log product of positive Hessian eigenvalues =          519.7228632205
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1095020786
 Unscaled step for mode    7=        0.0000000068
 Unscaled step for mode    8=        0.0000000078
 Unscaled step for mode    9=        0.0000000008
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000055
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000012
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000141
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000407
 Unscaled step for mode   20=       -0.0000000172
 Unscaled step for mode   21=       -0.0000000172
 Unscaled step for mode   22=        0.0000000213
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000072
 Unscaled step for mode   25=        0.0000000599
 Unscaled step for mode   26=        0.0000001011
 Unscaled step for mode   27=        0.0000000522
 Unscaled step for mode   28=       -0.0000000455
 Unscaled step for mode   29=       -0.0000000445
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000543
 Unscaled step for mode   32=        0.0000000247
 Unscaled step for mode   33=       -0.0000000456
 Unscaled step for mode   34=       -0.0000000444
 Unscaled step for mode   35=       -0.0000000904
 Unscaled step for mode   36=       -0.0000000720
 Unscaled step for mode   37=        0.0000000737
 Unscaled step for mode   38=       -0.0000000008
 Unscaled step for mode   39=        0.0000000828
 Unscaled step for mode   40=        0.0000000623
 Unscaled step for mode   41=        0.0000001743
 Unscaled step for mode   42=        0.0000000587
 Unscaled step for mode   43=        0.0000000720
 Unscaled step for mode   44=        0.0000001300
 Unscaled step for mode   45=       -0.0000000046
 Unscaled step for mode   46=       -0.0000001283
 Unscaled step for mode   47=        0.0000001464
 Unscaled step for mode   48=       -0.0000000279
 Unscaled step for mode   49=        0.0000001342
 Unscaled step for mode   50=       -0.0000000491
 Unscaled step for mode   51=        0.0000000914
 Unscaled step for mode   52=       -0.0000000233
 Unscaled step for mode   53=       -0.0000000790
 Unscaled step for mode   54=       -0.0000001131
 Unscaled step for mode   55=       -0.0000001256
 Unscaled step for mode   56=       -0.0000000377
 Unscaled step for mode   57=       -0.0000000740
 Unscaled step for mode   58=        0.0000001644
 Unscaled step for mode   59=        0.0000000163
 Unscaled step for mode   60=       -0.0000001617
 Unscaled step for mode   61=        0.0000002187
 Unscaled step for mode   62=       -0.0000002110
 Unscaled step for mode   63=        0.0000001740
 Unscaled step for mode   64=        0.0000002279
 Unscaled step for mode   65=        0.0000001695
 Unscaled step for mode   66=       -0.0000001464
 Unscaled step for mode   67=       -0.0000000703
 Unscaled step for mode   68=        0.0000000791
 Unscaled step for mode   69=       -0.0000000542
 Unscaled step for mode   70=        0.0000002480
 Unscaled step for mode   71=        0.0000000571
 Unscaled step for mode   72=       -0.0000005998
 Unscaled step for mode   73=        0.0000002800
 Unscaled step for mode   74=        0.0000002803
 Unscaled step for mode   75=       -0.0000008121
 Unscaled step for mode   76=        0.0000000832
 Unscaled step for mode   77=        0.0000005820
 Unscaled step for mode   78=        0.0000000613
 Unscaled step for mode   79=        0.0000000991
 Unscaled step for mode   80=        0.0000002598
 Unscaled step for mode   81=        0.0000002869
 Unscaled step for mode   82=        0.0000000694
 Unscaled step for mode   83=        0.0000002042
 Unscaled step for mode   84=       -0.0000006065
 Unscaled step for mode   85=        0.0000005898
 Unscaled step for mode   86=        0.0000001178
 Unscaled step for mode   87=        0.0000006613
 Unscaled step for mode   88=       -0.0000001099
 Unscaled step for mode   89=       -0.0000006526
 Unscaled step for mode   90=        0.0000008906
 Unscaled step for mode   91=        0.0000001911
 Unscaled step for mode   92=        0.0000011070
 Unscaled step for mode   93=       -0.0000004318
 Unscaled step for mode   94=        0.0000009704
 Unscaled step for mode   95=       -0.0000004109
 Unscaled step for mode   96=       -0.0000001003
 Unscaled step for mode   97=        0.0000010092
 Unscaled step for mode   98=        0.0000011647
 Unscaled step for mode   99=        0.0000033303
 Unscaled step for mode  100=        0.0000026012
 Unscaled step for mode  101=        0.0000007020
 Unscaled step for mode  102=        0.0000035430
 Unscaled step for mode  103=       -0.0000009523
 Unscaled step for mode  104=       -0.0000035467
 Unscaled step for mode  105=       -0.0000026571
 Unscaled step for mode  106=       -0.0000010325
 Unscaled step for mode  107=       -0.0000050043
 Unscaled step for mode  108=        0.0000002810
 Unscaled step for mode  109=       -0.0000051626
 Unscaled step for mode  110=        0.0006482452
 Unscaled step for mode  111=        0.0002858661
 Unscaled step for mode  112=        0.0009779371
 Unscaled step for mode  113=        0.0033895003
 Unscaled step for mode  114=       -0.1642867199
 Largest modulus ratio of non-zero e/values=           178.8484494    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.893816E-15    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.710261E-15    0.100705E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.546004E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.446691E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.136904E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.787727E-15    0.973938E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.499313E-05    0.734978E+03  0.679358E-08 0.100000E-04    0.992834E+00
   8   -0.524763E-05    0.673795E+03  0.778817E-08 0.100000E-04    0.998245E+00
   9   -0.497851E-06    0.627265E+03  0.793685E-09 0.100000E-04    0.976476E+00
  10    0.218714E-05    0.603933E+03 -0.362149E-08 0.100000E-04    0.981227E+00
  11   -0.156763E-05    0.588022E+03  0.266593E-08 0.100000E-04    0.995172E+00
  12   -0.312371E-05    0.572533E+03  0.545595E-08 0.100000E-04    0.996290E+00
  13   -0.357920E-05    0.567032E+03  0.631217E-08 0.100000E-04    0.993336E+00
  14   -0.584549E-06    0.483571E+03  0.120882E-08 0.100000E-04    0.961120E+00
  15    0.185846E-05    0.464461E+03 -0.400133E-08 0.100000E-04    0.990292E+00
  16    0.650275E-05    0.461136E+03 -0.141016E-07 0.100000E-04    0.994477E+00
  17    0.459904E-05    0.441435E+03 -0.104184E-07 0.100000E-04    0.992571E+00
  18    0.499374E-05    0.429489E+03 -0.116272E-07 0.100000E-04    0.998653E+00
  19   -0.171626E-04    0.421929E+03  0.406766E-07 0.100000E-04    0.996574E+00
  20    0.700781E-05    0.408150E+03 -0.171697E-07 0.100000E-04    0.999273E+00
  21    0.684907E-05    0.397265E+03 -0.172406E-07 0.100000E-04    0.999690E+00
  22   -0.826406E-05    0.388792E+03  0.212557E-07 0.100000E-04    0.993384E+00
  23    0.742145E-06    0.368096E+03 -0.201617E-08 0.100000E-04    0.974115E+00
  24   -0.259321E-05    0.361531E+03  0.717287E-08 0.100000E-04    0.984493E+00
  25   -0.209899E-04    0.350657E+03  0.598589E-07 0.100000E-04    0.997972E+00
  26   -0.339563E-04    0.335755E+03  0.101134E-06 0.100000E-04    0.997770E+00
  27   -0.170263E-04    0.326264E+03  0.521856E-07 0.100000E-04    0.999301E+00
  28    0.146099E-04    0.321430E+03 -0.454528E-07 0.100000E-04    0.998494E+00
  29    0.142469E-04    0.320300E+03 -0.444798E-07 0.100000E-04    0.982248E+00
  30   -0.249879E-04    0.312088E+03  0.800668E-07 0.100000E-04    0.998017E+00
  31   -0.164917E-04    0.303635E+03  0.543144E-07 0.100000E-04    0.997487E+00
  32   -0.713007E-05    0.288816E+03  0.246872E-07 0.100000E-04    0.993139E+00
  33    0.126998E-04    0.278660E+03 -0.455745E-07 0.100000E-04    0.993322E+00
  34    0.120194E-04    0.270867E+03 -0.443738E-07 0.100000E-04    0.991595E+00
  35    0.241335E-04    0.267098E+03 -0.903542E-07 0.100000E-04    0.998647E+00
  36    0.190327E-04    0.264393E+03 -0.719865E-07 0.100000E-04    0.997394E+00
  37   -0.191655E-04    0.259967E+03  0.737229E-07 0.100000E-04    0.997259E+00
  38    0.214121E-06    0.253938E+03 -0.843201E-09 0.100000E-04    0.641229E+00
  39   -0.200465E-04    0.242157E+03  0.827832E-07 0.100000E-04    0.997421E+00
  40   -0.148658E-04    0.238563E+03  0.623139E-07 0.100000E-04    0.987275E+00
  41   -0.409094E-04    0.234763E+03  0.174258E-06 0.100000E-04    0.997832E+00
  42   -0.134114E-04    0.228401E+03  0.587186E-07 0.100000E-04    0.996567E+00
  43   -0.158195E-04    0.219663E+03  0.720170E-07 0.100000E-04    0.997999E+00
  44   -0.278239E-04    0.213954E+03  0.130046E-06 0.100000E-04    0.996867E+00
  45    0.967837E-06    0.212455E+03 -0.455549E-08 0.100000E-04    0.900411E+00
  46    0.265832E-04    0.207248E+03 -0.128268E-06 0.100000E-04    0.996488E+00
  47   -0.298083E-04    0.203574E+03  0.146425E-06 0.100000E-04    0.998494E+00
  48    0.549683E-05    0.197335E+03 -0.278553E-07 0.100000E-04    0.992186E+00
  49   -0.261852E-04    0.195190E+03  0.134152E-06 0.100000E-04    0.999663E+00
  50    0.940679E-05    0.191489E+03 -0.491243E-07 0.100000E-04    0.984644E+00
  51   -0.168129E-04    0.184036E+03  0.913568E-07 0.100000E-04    0.999573E+00
  52    0.407380E-05    0.174827E+03 -0.233018E-07 0.100000E-04    0.995206E+00
  53    0.135834E-04    0.171981E+03 -0.789819E-07 0.100000E-04    0.996830E+00
  54    0.189568E-04    0.167574E+03 -0.113125E-06 0.100000E-04    0.998119E+00
  55    0.207103E-04    0.164851E+03 -0.125630E-06 0.100000E-04    0.999197E+00
  56    0.598475E-05    0.158746E+03 -0.377002E-07 0.100000E-04    0.992869E+00
  57    0.113964E-04    0.154086E+03 -0.739614E-07 0.100000E-04    0.993887E+00
  58   -0.248963E-04    0.151470E+03  0.164365E-06 0.100000E-04    0.998342E+00
  59   -0.242064E-05    0.148452E+03  0.163059E-07 0.100000E-04    0.959164E+00
  60    0.231791E-04    0.143325E+03 -0.161725E-06 0.100000E-04    0.999405E+00
  61   -0.300074E-04    0.137179E+03  0.218746E-06 0.100000E-04    0.992485E+00
  62    0.286677E-04    0.135875E+03 -0.210985E-06 0.100000E-04    0.999077E+00
  63   -0.227322E-04    0.130630E+03  0.174019E-06 0.100000E-04    0.995584E+00
  64   -0.292108E-04    0.128163E+03  0.227920E-06 0.100000E-04    0.994997E+00
  65   -0.213910E-04    0.126180E+03  0.169527E-06 0.100000E-04    0.991015E+00
  66    0.183753E-04    0.125498E+03 -0.146419E-06 0.100000E-04    0.996570E+00
  67    0.841564E-05    0.119783E+03 -0.702575E-07 0.100000E-04    0.999481E+00
  68   -0.934017E-05    0.118090E+03  0.790937E-07 0.100000E-04    0.998174E+00
  69    0.634789E-05    0.117054E+03 -0.542303E-07 0.100000E-04    0.988588E+00
  70   -0.275011E-04    0.110891E+03  0.248001E-06 0.100000E-04    0.998732E+00
  71   -0.614494E-05    0.107699E+03  0.570568E-07 0.100000E-04    0.997498E+00
  72    0.627946E-04    0.104691E+03 -0.599810E-06 0.100000E-04    0.994575E+00
  73   -0.288653E-04    0.103093E+03  0.279993E-06 0.100000E-04    0.998267E+00
  74   -0.279608E-04    0.997496E+02  0.280310E-06 0.100000E-04    0.998422E+00
  75    0.778057E-04    0.958085E+02 -0.812096E-06 0.100000E-04    0.997724E+00
  76   -0.787004E-05    0.945975E+02  0.831950E-07 0.100000E-04    0.917154E+00
  77   -0.542509E-04    0.932188E+02  0.581974E-06 0.100000E-04    0.996081E+00
  78   -0.554963E-05    0.905890E+02  0.612616E-07 0.100000E-04    0.996738E+00
  79   -0.887511E-05    0.896000E+02  0.990526E-07 0.100000E-04    0.996250E+00
  80   -0.220953E-04    0.850577E+02  0.259768E-06 0.100000E-04    0.998302E+00
  81   -0.232107E-04    0.809082E+02  0.286877E-06 0.100000E-04    0.997231E+00
  82   -0.554498E-05    0.798645E+02  0.694298E-07 0.100000E-04    0.990251E+00
  83   -0.159801E-04    0.782646E+02  0.204181E-06 0.100000E-04    0.992768E+00
  84    0.441756E-04    0.728326E+02 -0.606536E-06 0.100000E-04    0.992581E+00
  85   -0.426571E-04    0.723252E+02  0.589796E-06 0.100000E-04    0.997129E+00
  86   -0.804361E-05    0.682694E+02  0.117822E-06 0.100000E-04    0.974859E+00
  87   -0.438237E-04    0.662731E+02  0.661259E-06 0.100000E-04    0.998784E+00
  88    0.693788E-05    0.631052E+02 -0.109941E-06 0.100000E-04    0.985123E+00
  89    0.391505E-04    0.599943E+02 -0.652570E-06 0.100000E-04    0.977939E+00
  90   -0.531700E-04    0.597012E+02  0.890602E-06 0.100000E-04    0.982479E+00
  91   -0.112857E-04    0.590709E+02  0.191054E-06 0.100000E-04    0.963849E+00
  92   -0.620440E-04    0.560468E+02  0.110700E-05 0.100000E-04    0.997969E+00
  93    0.227625E-04    0.527103E+02 -0.431841E-06 0.100000E-04    0.993369E+00
  94   -0.507579E-04    0.523051E+02  0.970420E-06 0.100000E-04    0.994659E+00
  95    0.205659E-04    0.500499E+02 -0.410907E-06 0.100000E-04    0.995149E+00
  96    0.475817E-05    0.474317E+02 -0.100316E-06 0.100000E-04    0.957126E+00
  97   -0.432632E-04    0.428701E+02  0.100917E-05 0.100000E-04    0.992057E+00
  98   -0.471090E-04    0.404488E+02  0.116466E-05 0.100000E-04    0.994618E+00
  99   -0.124949E-03    0.375192E+02  0.333027E-05 0.100000E-04    0.996540E+00
 100   -0.942542E-04    0.362353E+02  0.260117E-05 0.100000E-04    0.997143E+00
 101   -0.241047E-04    0.343355E+02  0.702035E-06 0.100000E-04    0.978712E+00
 102   -0.102056E-03    0.288050E+02  0.354299E-05 0.100000E-04    0.996518E+00
 103    0.272582E-04    0.286237E+02 -0.952295E-06 0.100000E-04    0.988986E+00
 104    0.968386E-04    0.273039E+02 -0.354670E-05 0.100000E-04    0.989786E+00
 105    0.611907E-04    0.230290E+02 -0.265712E-05 0.100000E-04    0.998043E+00
 106    0.219229E-04    0.212321E+02 -0.103254E-05 0.100000E-04    0.924462E+00
 107    0.102625E-03    0.205074E+02 -0.500432E-05 0.100000E-04    0.990354E+00
 108   -0.472108E-05    0.168014E+02  0.280993E-06 0.100000E-04    0.784753E+00
 109    0.712454E-04    0.138002E+02 -0.516262E-05 0.100000E-04    0.999633E+00
 110   -0.793629E-02    0.122427E+02  0.100000E-04 0.100000E-04    0.429089E+00
 111   -0.283770E-02    0.992667E+01  0.100000E-04 0.100000E-04    0.689895E+00
 112   -0.858811E-02    0.878186E+01  0.110476E-04 0.110476E-04    0.296672E+00
 113   -0.236401E-01    0.697442E+01  0.187828E-04 0.187828E-04    0.557707E-01
 114   -0.693864E+00    0.410950E+01 -0.400000E-03 0.400000E-03    0.715656E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1642867199    

 Beginning of optimization cycle  355.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3497184038
 potential> RMS force:                                               0.0651868437   |gradient|=.6960050312    
 Eigenvalues of the Hessian matrix:
   735.04130    673.80289    627.27755    603.92317    588.01202    572.57567 
   567.03547    483.59711    464.43816    461.12991    441.43671    429.48156 
   421.93205    408.15697    397.26001    388.78994    368.10447    361.52264 
   350.64962    335.73966    326.27843    321.43038    320.29930    312.06606 
   303.62136    288.82573    278.65517    270.87205    267.10674    264.39941 
   259.98313    253.93861    242.15288    238.57622    234.75040    228.39611 
   219.64241    213.96193    212.46138    207.24434    203.57423    197.32740 
   195.18631    191.48774    184.02600    174.81731    171.98615    167.57574 
   164.84350    158.73481    154.09111    151.47543    148.44280    143.32675 
   137.18222    135.87745    130.62860    128.16737    126.18363    125.49403 
   119.78463    118.09064    117.05567    110.88546    107.69117    104.68794 
   103.09287     99.74851     95.80574     94.58600     93.23061     90.59300 
    89.59465     85.06059     80.90791     79.86668     78.26338     72.83486 
    72.32990     68.26871     66.26095     63.10030     59.98972     59.69855 
    59.07052     56.04706     52.70739     52.30571     50.04895     47.42661 
    42.86987     40.45143     37.52337     36.23801     34.32336     28.80462 
    28.62237     27.29588     23.03095     21.22563     20.51154     16.80076 
    13.80070     12.24255      9.92814      8.77627      6.96697      4.10432 
overlap for current and previous eigenvector    109 is         0.9999997038
overlap for current and previous eigenvector    110 is         0.9999995575
overlap for current and previous eigenvector    111 is         0.9999991517
overlap for current and previous eigenvector    112 is         0.9999941834
overlap for current and previous eigenvector    113 is         0.9999948161
overlap for current and previous eigenvector    114 is         0.9999997272
J1,K1,R1,R2,RAT=   7   7   -0.5611101775E-02     2.005439074        0.9943888982    
FOB,PFOB,DIAG,PSTEP=   -0.5021148929E-05   -0.4993129561E-05     735.0412984        0.6793576209E-08
J1,K1,R1,R2,RAT=   8   8   -0.8487975687E-02     2.008463678        0.9915120243    
FOB,PFOB,DIAG,PSTEP=   -0.5292167726E-05   -0.5247625468E-05     673.8028938        0.7788166642E-08
J1,K1,R1,R2,RAT=   9   9   -0.1394387194E-01     2.013904764        0.9860561281    
FOB,PFOB,DIAG,PSTEP=   -0.5047933668E-06   -0.4978512569E-06     627.2775517        0.7936853321E-09
J1,K1,R1,R2,RAT=  10  10    0.1017598532E-01     1.989857185        0.9898240147    
FOB,PFOB,DIAG,PSTEP=    0.2164884117E-05    0.2187140053E-05     603.9231698       -0.3621493410E-08
J1,K1,R1,R2,RAT=  11  11   -0.7262177722E-02     2.007295789        0.9927378223    
FOB,PFOB,DIAG,PSTEP=   -0.1579012162E-05   -0.1567627960E-05     588.0120188        0.2665934650E-08
J1,K1,R1,R2,RAT= 109 109    0.5372148466E-02     1.994560889        0.9945608889    
FOB,PFOB,DIAG,PSTEP=    0.7086269407E-04    0.7124544800E-04     13.80070025       -0.5162624520E-05
J1,K1,R1,R2,RAT= 110 110   -0.5625232328         130.2134577        0.4374767672    
FOB,PFOB,DIAG,PSTEP=   -0.8005158358E-02   -0.7936291162E-02     12.24255143        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3160563125         56.84867957        0.6839436875    
FOB,PFOB,DIAG,PSTEP=   -0.2806320269E-02   -0.2837698797E-02     9.928144521        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8980496832         178.0519785        0.1019503168    
FOB,PFOB,DIAG,PSTEP=   -0.8675184935E-02   -0.8588113173E-02     8.776268343        0.1104757790E-04
J1,K1,R1,R2,RAT= 113 113   -0.8065921567         362.1127594        0.1934078433    
FOB,PFOB,DIAG,PSTEP=   -0.2374563649E-01   -0.2364008662E-01     6.966971105        0.1878277150E-04
J1,K1,R1,R2,RAT= 114 114    0.9927560603        -846.2779329        0.7243939652E-02
FOB,PFOB,DIAG,PSTEP=   -0.6954939318       -0.6938640965         4.104319557       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002      0.00001      0.00001     -0.00002     -0.00000      0.00002 
    -0.00003      0.00003     -0.00002     -0.00003     -0.00002      0.00002 
    -0.00001      0.00001     -0.00001     -0.00003     -0.00001      0.00006 
    -0.00003     -0.00003      0.00008      0.00001      0.00005     -0.00001 
    -0.00001     -0.00002      0.00002      0.00001      0.00002     -0.00004 
    -0.00004     -0.00001     -0.00004      0.00001      0.00004     -0.00005 
    -0.00001      0.00006     -0.00002      0.00005      0.00002      0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009     -0.00002     -0.00010 
     0.00003      0.00010      0.00006      0.00002      0.00010     -0.00000 
     0.00007     -0.00801     -0.00281     -0.00868     -0.02375     -0.69549 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4217497856
 Log product of positive Hessian eigenvalues =          519.7188776830
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.1043195573
 Unscaled step for mode    7=        0.0000000068
 Unscaled step for mode    8=        0.0000000079
 Unscaled step for mode    9=        0.0000000008
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000056
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=        0.0000000011
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000141
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000117
 Unscaled step for mode   19=        0.0000000407
 Unscaled step for mode   20=       -0.0000000171
 Unscaled step for mode   21=       -0.0000000172
 Unscaled step for mode   22=        0.0000000213
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000072
 Unscaled step for mode   25=        0.0000000600
 Unscaled step for mode   26=        0.0000001012
 Unscaled step for mode   27=        0.0000000523
 Unscaled step for mode   28=       -0.0000000455
 Unscaled step for mode   29=       -0.0000000450
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000547
 Unscaled step for mode   32=        0.0000000247
 Unscaled step for mode   33=       -0.0000000456
 Unscaled step for mode   34=       -0.0000000445
 Unscaled step for mode   35=       -0.0000000905
 Unscaled step for mode   36=       -0.0000000722
 Unscaled step for mode   37=        0.0000000739
 Unscaled step for mode   38=       -0.0000000010
 Unscaled step for mode   39=        0.0000000829
 Unscaled step for mode   40=        0.0000000629
 Unscaled step for mode   41=        0.0000001747
 Unscaled step for mode   42=        0.0000000590
 Unscaled step for mode   43=        0.0000000725
 Unscaled step for mode   44=        0.0000001308
 Unscaled step for mode   45=       -0.0000000043
 Unscaled step for mode   46=       -0.0000001288
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000280
 Unscaled step for mode   49=        0.0000001348
 Unscaled step for mode   50=       -0.0000000485
 Unscaled step for mode   51=        0.0000000918
 Unscaled step for mode   52=       -0.0000000236
 Unscaled step for mode   53=       -0.0000000792
 Unscaled step for mode   54=       -0.0000001138
 Unscaled step for mode   55=       -0.0000001258
 Unscaled step for mode   56=       -0.0000000373
 Unscaled step for mode   57=       -0.0000000744
 Unscaled step for mode   58=        0.0000001646
 Unscaled step for mode   59=        0.0000000163
 Unscaled step for mode   60=       -0.0000001623
 Unscaled step for mode   61=        0.0000002191
 Unscaled step for mode   62=       -0.0000002103
 Unscaled step for mode   63=        0.0000001732
 Unscaled step for mode   64=        0.0000002291
 Unscaled step for mode   65=        0.0000001701
 Unscaled step for mode   66=       -0.0000001450
 Unscaled step for mode   67=        0.0000000710
 Unscaled step for mode   68=       -0.0000000791
 Unscaled step for mode   69=        0.0000000542
 Unscaled step for mode   70=        0.0000002494
 Unscaled step for mode   71=        0.0000000572
 Unscaled step for mode   72=       -0.0000006009
 Unscaled step for mode   73=        0.0000002806
 Unscaled step for mode   74=        0.0000002791
 Unscaled step for mode   75=       -0.0000008142
 Unscaled step for mode   76=       -0.0000000885
 Unscaled step for mode   77=       -0.0000005795
 Unscaled step for mode   78=        0.0000000644
 Unscaled step for mode   79=        0.0000000979
 Unscaled step for mode   80=        0.0000002605
 Unscaled step for mode   81=       -0.0000002874
 Unscaled step for mode   82=       -0.0000000722
 Unscaled step for mode   83=       -0.0000002059
 Unscaled step for mode   84=        0.0000006075
 Unscaled step for mode   85=        0.0000005867
 Unscaled step for mode   86=        0.0000001208
 Unscaled step for mode   87=        0.0000006623
 Unscaled step for mode   88=       -0.0000001103
 Unscaled step for mode   89=       -0.0000006403
 Unscaled step for mode   90=        0.0000009003
 Unscaled step for mode   91=        0.0000001956
 Unscaled step for mode   92=       -0.0000011097
 Unscaled step for mode   93=        0.0000004251
 Unscaled step for mode   94=       -0.0000009706
 Unscaled step for mode   95=       -0.0000004043
 Unscaled step for mode   96=       -0.0000000991
 Unscaled step for mode   97=        0.0000010058
 Unscaled step for mode   98=        0.0000011672
 Unscaled step for mode   99=        0.0000033248
 Unscaled step for mode  100=        0.0000025984
 Unscaled step for mode  101=        0.0000006998
 Unscaled step for mode  102=        0.0000035399
 Unscaled step for mode  103=       -0.0000009638
 Unscaled step for mode  104=       -0.0000035433
 Unscaled step for mode  105=       -0.0000026712
 Unscaled step for mode  106=       -0.0000010088
 Unscaled step for mode  107=       -0.0000050201
 Unscaled step for mode  108=        0.0000002818
 Unscaled step for mode  109=       -0.0000051347
 Unscaled step for mode  110=        0.0006538796
 Unscaled step for mode  111=        0.0002826631
 Unscaled step for mode  112=        0.0009884812
 Unscaled step for mode  113=        0.0034082760
 Unscaled step for mode  114=       -0.1648491789
 Largest modulus ratio of non-zero e/values=           179.0896854    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.537764E-15    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.110090E-14    0.100705E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.525464E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.454064E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.307301E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.385190E-15    0.973939E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.502115E-05    0.735041E+03  0.683111E-08 0.100000E-04    0.994389E+00
   8   -0.529217E-05    0.673803E+03  0.785418E-08 0.100000E-04    0.991512E+00
   9   -0.504793E-06    0.627278E+03  0.804737E-09 0.100000E-04    0.986056E+00
  10    0.216488E-05    0.603923E+03 -0.358470E-08 0.100000E-04    0.989824E+00
  11   -0.157901E-05    0.588012E+03  0.268534E-08 0.100000E-04    0.992738E+00
  12   -0.317841E-05    0.572576E+03  0.555108E-08 0.100000E-04    0.982490E+00
  13   -0.361024E-05    0.567035E+03  0.636687E-08 0.100000E-04    0.991326E+00
  14   -0.529601E-06    0.483597E+03  0.109513E-08 0.100000E-04    0.905896E+00
  15    0.188751E-05    0.464438E+03 -0.406407E-08 0.100000E-04    0.984371E+00
  16    0.651121E-05    0.461130E+03 -0.141201E-07 0.100000E-04    0.998700E+00
  17    0.458699E-05    0.441437E+03 -0.103911E-07 0.100000E-04    0.997371E+00
  18    0.501288E-05    0.429482E+03 -0.116719E-07 0.100000E-04    0.996166E+00
  19   -0.171892E-04    0.421932E+03  0.407392E-07 0.100000E-04    0.998453E+00
  20    0.697618E-05    0.408157E+03 -0.170919E-07 0.100000E-04    0.995453E+00
  21    0.682935E-05    0.397260E+03 -0.171911E-07 0.100000E-04    0.997121E+00
  22   -0.828266E-05    0.388790E+03  0.213037E-07 0.100000E-04    0.997750E+00
  23    0.767651E-06    0.368104E+03 -0.208542E-08 0.100000E-04    0.965633E+00
  24   -0.261753E-05    0.361523E+03  0.724029E-08 0.100000E-04    0.990623E+00
  25   -0.210467E-04    0.350650E+03  0.600222E-07 0.100000E-04    0.997294E+00
  26   -0.339890E-04    0.335740E+03  0.101236E-06 0.100000E-04    0.999037E+00
  27   -0.170650E-04    0.326278E+03  0.523021E-07 0.100000E-04    0.997724E+00
  28    0.146142E-04    0.321430E+03 -0.454662E-07 0.100000E-04    0.999704E+00
  29    0.144283E-04    0.320299E+03 -0.450464E-07 0.100000E-04    0.987264E+00
  30   -0.250197E-04    0.312066E+03  0.801744E-07 0.100000E-04    0.998725E+00
  31   -0.166147E-04    0.303621E+03  0.547217E-07 0.100000E-04    0.992545E+00
  32   -0.714174E-05    0.288826E+03  0.247268E-07 0.100000E-04    0.998364E+00
  33    0.126931E-04    0.278655E+03 -0.455512E-07 0.100000E-04    0.999471E+00
  34    0.120641E-04    0.270872E+03 -0.445378E-07 0.100000E-04    0.996283E+00
  35    0.241705E-04    0.267107E+03 -0.904902E-07 0.100000E-04    0.998463E+00
  36    0.190910E-04    0.264399E+03 -0.722051E-07 0.100000E-04    0.996941E+00
  37   -0.192131E-04    0.259983E+03  0.739015E-07 0.100000E-04    0.997516E+00
  38    0.260446E-06    0.253939E+03 -0.102562E-08 0.100000E-04    0.783651E+00
  39   -0.200695E-04    0.242153E+03  0.828793E-07 0.100000E-04    0.998857E+00
  40   -0.150131E-04    0.238576E+03  0.629278E-07 0.100000E-04    0.990095E+00
  41   -0.410178E-04    0.234750E+03  0.174729E-06 0.100000E-04    0.997351E+00
  42   -0.134826E-04    0.228396E+03  0.590318E-07 0.100000E-04    0.994688E+00
  43   -0.159332E-04    0.219642E+03  0.725415E-07 0.100000E-04    0.992812E+00
  44   -0.279771E-04    0.213962E+03  0.130757E-06 0.100000E-04    0.994494E+00
  45    0.917176E-06    0.212461E+03 -0.431691E-08 0.100000E-04    0.947596E+00
  46    0.266985E-04    0.207244E+03 -0.128826E-06 0.100000E-04    0.995660E+00
  47   -0.298137E-04    0.203574E+03  0.146451E-06 0.100000E-04    0.999818E+00
  48    0.552539E-05    0.197327E+03 -0.280011E-07 0.100000E-04    0.994805E+00
  49   -0.263081E-04    0.195186E+03  0.134785E-06 0.100000E-04    0.995303E+00
  50    0.929123E-05    0.191488E+03 -0.485213E-07 0.100000E-04    0.987715E+00
  51   -0.168966E-04    0.184026E+03  0.918165E-07 0.100000E-04    0.995022E+00
  52    0.412907E-05    0.174817E+03 -0.236193E-07 0.100000E-04    0.986432E+00
  53    0.136218E-04    0.171986E+03 -0.792026E-07 0.100000E-04    0.997175E+00
  54    0.190736E-04    0.167576E+03 -0.113821E-06 0.100000E-04    0.993836E+00
  55    0.207292E-04    0.164843E+03 -0.125751E-06 0.100000E-04    0.999088E+00
  56    0.592362E-05    0.158735E+03 -0.373177E-07 0.100000E-04    0.989785E+00
  57    0.114627E-04    0.154091E+03 -0.743893E-07 0.100000E-04    0.994181E+00
  58   -0.249357E-04    0.151475E+03  0.164619E-06 0.100000E-04    0.998417E+00
  59   -0.242628E-05    0.148443E+03  0.163449E-07 0.100000E-04    0.997669E+00
  60    0.232631E-04    0.143327E+03 -0.162308E-06 0.100000E-04    0.996379E+00
  61   -0.300500E-04    0.137182E+03  0.219052E-06 0.100000E-04    0.998582E+00
  62    0.285768E-04    0.135877E+03 -0.210313E-06 0.100000E-04    0.996802E+00
  63   -0.226243E-04    0.130629E+03  0.173196E-06 0.100000E-04    0.995257E+00
  64   -0.293672E-04    0.128167E+03  0.229132E-06 0.100000E-04    0.994645E+00
  65   -0.214658E-04    0.126184E+03  0.170116E-06 0.100000E-04    0.996503E+00
  66    0.182019E-04    0.125494E+03 -0.145042E-06 0.100000E-04    0.990563E+00
  67   -0.850276E-05    0.119785E+03  0.709837E-07 0.100000E-04    0.989648E+00
  68    0.934276E-05    0.118091E+03 -0.791151E-07 0.100000E-04    0.999723E+00
  69   -0.634093E-05    0.117056E+03  0.541702E-07 0.100000E-04    0.998881E+00
  70   -0.276533E-04    0.110885E+03  0.249386E-06 0.100000E-04    0.994463E+00
  71   -0.616194E-05    0.107691E+03  0.572186E-07 0.100000E-04    0.997232E+00
  72    0.629102E-04    0.104688E+03 -0.600931E-06 0.100000E-04    0.998159E+00
  73   -0.289259E-04    0.103093E+03  0.280581E-06 0.100000E-04    0.997900E+00
  74   -0.278438E-04    0.997485E+02  0.279140E-06 0.100000E-04    0.995815E+00
  75    0.780019E-04    0.958057E+02 -0.814167E-06 0.100000E-04    0.997479E+00
  76    0.837466E-05    0.945860E+02 -0.885402E-07 0.100000E-04    0.935872E+00
  77    0.540256E-04    0.932306E+02 -0.579483E-06 0.100000E-04    0.995593E+00
  78   -0.583366E-05    0.905930E+02  0.643941E-07 0.100000E-04    0.948822E+00
  79   -0.876763E-05    0.895947E+02  0.978589E-07 0.100000E-04    0.987889E+00
  80   -0.221625E-04    0.850606E+02  0.260549E-06 0.100000E-04    0.996960E+00
  81    0.232499E-04    0.809079E+02 -0.287363E-06 0.100000E-04    0.998310E+00
  82    0.576838E-05    0.798667E+02 -0.722251E-07 0.100000E-04    0.959712E+00
  83    0.161181E-04    0.782634E+02 -0.205947E-06 0.100000E-04    0.991368E+00
  84   -0.442494E-04    0.728349E+02  0.607531E-06 0.100000E-04    0.998328E+00
  85   -0.424395E-04    0.723299E+02  0.586749E-06 0.100000E-04    0.994769E+00
  86   -0.824968E-05    0.682687E+02  0.120841E-06 0.100000E-04    0.974380E+00
  87   -0.438867E-04    0.662609E+02  0.662331E-06 0.100000E-04    0.998563E+00
  88    0.695786E-05    0.631003E+02 -0.110267E-06 0.100000E-04    0.997120E+00
  89    0.384095E-04    0.599897E+02 -0.640268E-06 0.100000E-04    0.981072E+00
  90   -0.537441E-04    0.596986E+02  0.900258E-06 0.100000E-04    0.989202E+00
  91   -0.115532E-04    0.590705E+02  0.195583E-06 0.100000E-04    0.976299E+00
  92    0.621974E-04    0.560471E+02 -0.110974E-05 0.100000E-04    0.997528E+00
  93   -0.224046E-04    0.527074E+02  0.425075E-06 0.100000E-04    0.984278E+00
  94    0.507687E-04    0.523057E+02 -0.970616E-06 0.100000E-04    0.999786E+00
  95    0.202329E-04    0.500490E+02 -0.404261E-06 0.100000E-04    0.983807E+00
  96    0.469879E-05    0.474266E+02 -0.990749E-07 0.100000E-04    0.987518E+00
  97   -0.431187E-04    0.428699E+02  0.100580E-05 0.100000E-04    0.996661E+00
  98   -0.472165E-04    0.404514E+02  0.116724E-05 0.100000E-04    0.997719E+00
  99   -0.124760E-03    0.375234E+02  0.332485E-05 0.100000E-04    0.998263E+00
 100   -0.941600E-04    0.362380E+02  0.259838E-05 0.100000E-04    0.998852E+00
 101   -0.240207E-04    0.343234E+02  0.699834E-06 0.100000E-04    0.996511E+00
 102   -0.101967E-03    0.288046E+02  0.353994E-05 0.100000E-04    0.999128E+00
 103    0.275854E-04    0.286224E+02 -0.963769E-06 0.100000E-04    0.987996E+00
 104    0.967162E-04    0.272959E+02 -0.354325E-05 0.100000E-04    0.998736E+00
 105    0.615197E-04    0.230310E+02 -0.267118E-05 0.100000E-04    0.994624E+00
 106    0.214130E-04    0.212256E+02 -0.100883E-05 0.100000E-04    0.976733E+00
 107    0.102971E-03    0.205115E+02 -0.502014E-05 0.100000E-04    0.996635E+00
 108   -0.473382E-05    0.168008E+02  0.281762E-06 0.100000E-04    0.997301E+00
 109    0.708627E-04    0.138007E+02 -0.513472E-05 0.100000E-04    0.994561E+00
 110   -0.800516E-02    0.122426E+02  0.100000E-04 0.100000E-04    0.437477E+00
 111   -0.280632E-02    0.992814E+01  0.100000E-04 0.100000E-04    0.683944E+00
 112   -0.867518E-02    0.877627E+01  0.120419E-04 0.120419E-04    0.101950E+00
 113   -0.237456E-01    0.696697E+01  0.204732E-04 0.204732E-04    0.193408E+00
 114   -0.695494E+00    0.410432E+01 -0.400000E-03 0.400000E-03    0.724394E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1648491789    

 Beginning of optimization cycle  356.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3494405752
 potential> RMS force:                                               0.0653396362   |gradient|=.6976364082    
 Eigenvalues of the Hessian matrix:
   735.10464    673.81097    627.28999    603.91296    588.00210    572.61868 
   567.03868    483.62316    464.41483    461.12354    441.43869    429.47450 
   421.93540    408.16368    397.25490    388.78781    368.11280    361.51419 
   350.64226    335.72479    326.29284    321.43057    320.29855    312.04435 
   303.60768    288.83536    278.65048    270.87766    267.11527    264.40552 
   259.99964    253.93907    242.14855    238.58924    234.73813    228.39114 
   219.62155    213.96961    212.46791    207.24086    203.57455    197.31968 
   195.18278    191.48615    184.01618    174.80718    171.99141    167.57723 
   164.83551    158.72384    154.09627    151.48120    148.43382    143.32892 
   137.18546    135.87945    130.62700    128.17202    126.18705    125.49010 
   119.78637    118.09145    117.05692    110.87994    107.68382    104.68510 
   103.09285     99.74742     95.80307     94.57435     93.24240     90.59706 
    89.58927     85.06357     80.90762     79.86894     78.26220     72.83712 
    72.33452     68.26798     66.24879     63.09531     59.98537     59.69571 
    59.07015     56.04729     52.70453     52.30633     50.04802     47.42144 
    42.86973     40.45403     37.52750     36.24069     34.31115     28.80426 
    28.62109     27.28792     23.03294     21.21920     20.51571     16.80009 
    13.80117     12.24238      9.92961      8.77087      6.95949      4.09912 
overlap for current and previous eigenvector    109 is         0.9999997092
overlap for current and previous eigenvector    110 is         0.9999995606
overlap for current and previous eigenvector    111 is         0.9999991819
overlap for current and previous eigenvector    112 is         0.9999943683
overlap for current and previous eigenvector    113 is         0.9999949626
overlap for current and previous eigenvector    114 is         0.9999997195
J1,K1,R1,R2,RAT=   7   7   -0.6440349030E-02     2.006268012        0.9935596510    
FOB,PFOB,DIAG,PSTEP=   -0.5053489668E-05   -0.5021148929E-05     735.1046411        0.6831111314E-08
J1,K1,R1,R2,RAT=   8   8   -0.7391711395E-02     2.007367750        0.9926082886    
FOB,PFOB,DIAG,PSTEP=   -0.5331286372E-05   -0.5292167726E-05     673.8109665        0.7854177795E-08
J1,K1,R1,R2,RAT=   9   9   -0.1056967248         2.105657052        0.8943032752    
FOB,PFOB,DIAG,PSTEP=   -0.5581494308E-06   -0.5047933668E-06     627.2899948        0.8047368592E-09
J1,K1,R1,R2,RAT=  10  10    0.9735236063E-03     1.999060288        0.9990264764    
FOB,PFOB,DIAG,PSTEP=    0.2162776587E-05    0.2164884117E-05     603.9129602       -0.3584701209E-08
J1,K1,R1,R2,RAT=  11  11    0.1271217804E-01     1.987321565        0.9872878220    
FOB,PFOB,DIAG,PSTEP=   -0.1558939816E-05   -0.1579012162E-05     588.0020984        0.2685339944E-08
J1,K1,R1,R2,RAT= 109 109   -0.9217633428E-02     2.009149453        0.9907823666    
FOB,PFOB,DIAG,PSTEP=    0.7151590267E-04    0.7086269407E-04     13.80117073       -0.5134717283E-05
J1,K1,R1,R2,RAT= 110 110   -0.5534860647         131.3312595        0.4465139353    
FOB,PFOB,DIAG,PSTEP=   -0.8072918246E-02   -0.8005158358E-02     12.24238362        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3098805672         56.21438524        0.6901194328    
FOB,PFOB,DIAG,PSTEP=   -0.2775550330E-02   -0.2806320269E-02     9.929612458        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8151897355         165.0906474        0.1848102645    
FOB,PFOB,DIAG,PSTEP=   -0.8761283270E-02   -0.8675184935E-02     8.770866106        0.1204185991E-04
J1,K1,R1,R2,RAT= 113 113   -0.7455722573         334.0570691        0.2544277427    
FOB,PFOB,DIAG,PSTEP=   -0.2385186797E-01   -0.2374563649E-01     6.959488854        0.2047322093E-04
J1,K1,R1,R2,RAT= 114 114    0.9924151465        -849.3377688        0.7584853484E-02
FOB,PFOB,DIAG,PSTEP=   -0.6971211434       -0.6954939318         4.099120298       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001      0.00002      0.00000      0.00002 
    -0.00003      0.00003     -0.00002      0.00003      0.00002     -0.00002 
     0.00001     -0.00001      0.00001     -0.00003     -0.00001      0.00006 
    -0.00003     -0.00003      0.00008     -0.00001     -0.00005      0.00001 
    -0.00001     -0.00002      0.00002      0.00001      0.00002     -0.00004 
    -0.00004     -0.00001     -0.00004      0.00001      0.00004     -0.00005 
    -0.00001      0.00006     -0.00002      0.00005      0.00002      0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009     -0.00002     -0.00010 
     0.00003      0.00010     -0.00006     -0.00002     -0.00010     -0.00000 
     0.00007     -0.00807     -0.00278     -0.00876     -0.02385     -0.69712 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4215758131
 Log product of positive Hessian eigenvalues =          519.7149005031
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0991202983
 Unscaled step for mode    7=        0.0000000069
 Unscaled step for mode    8=        0.0000000079
 Unscaled step for mode    9=        0.0000000009
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000057
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000009
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000141
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000408
 Unscaled step for mode   20=       -0.0000000169
 Unscaled step for mode   21=       -0.0000000171
 Unscaled step for mode   22=        0.0000000215
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000074
 Unscaled step for mode   25=        0.0000000601
 Unscaled step for mode   26=        0.0000001013
 Unscaled step for mode   27=        0.0000000523
 Unscaled step for mode   28=       -0.0000000454
 Unscaled step for mode   29=       -0.0000000457
 Unscaled step for mode   30=        0.0000000804
 Unscaled step for mode   31=        0.0000000551
 Unscaled step for mode   32=        0.0000000250
 Unscaled step for mode   33=       -0.0000000457
 Unscaled step for mode   34=       -0.0000000448
 Unscaled step for mode   35=       -0.0000000907
 Unscaled step for mode   36=       -0.0000000727
 Unscaled step for mode   37=        0.0000000740
 Unscaled step for mode   38=       -0.0000000013
 Unscaled step for mode   39=        0.0000000829
 Unscaled step for mode   40=        0.0000000639
 Unscaled step for mode   41=        0.0000001755
 Unscaled step for mode   42=        0.0000000597
 Unscaled step for mode   43=        0.0000000730
 Unscaled step for mode   44=        0.0000001319
 Unscaled step for mode   45=       -0.0000000043
 Unscaled step for mode   46=       -0.0000001295
 Unscaled step for mode   47=        0.0000001467
 Unscaled step for mode   48=       -0.0000000280
 Unscaled step for mode   49=        0.0000001353
 Unscaled step for mode   50=       -0.0000000479
 Unscaled step for mode   51=        0.0000000920
 Unscaled step for mode   52=       -0.0000000238
 Unscaled step for mode   53=       -0.0000000791
 Unscaled step for mode   54=       -0.0000001142
 Unscaled step for mode   55=       -0.0000001261
 Unscaled step for mode   56=       -0.0000000378
 Unscaled step for mode   57=        0.0000000744
 Unscaled step for mode   58=       -0.0000001650
 Unscaled step for mode   59=       -0.0000000169
 Unscaled step for mode   60=       -0.0000001623
 Unscaled step for mode   61=        0.0000002192
 Unscaled step for mode   62=       -0.0000002099
 Unscaled step for mode   63=        0.0000001723
 Unscaled step for mode   64=       -0.0000002302
 Unscaled step for mode   65=       -0.0000001702
 Unscaled step for mode   66=        0.0000001442
 Unscaled step for mode   67=       -0.0000000724
 Unscaled step for mode   68=        0.0000000788
 Unscaled step for mode   69=       -0.0000000542
 Unscaled step for mode   70=        0.0000002507
 Unscaled step for mode   71=        0.0000000578
 Unscaled step for mode   72=       -0.0000006032
 Unscaled step for mode   73=        0.0000002807
 Unscaled step for mode   74=        0.0000002783
 Unscaled step for mode   75=       -0.0000008156
 Unscaled step for mode   76=        0.0000000945
 Unscaled step for mode   77=        0.0000005760
 Unscaled step for mode   78=       -0.0000000649
 Unscaled step for mode   79=        0.0000000976
 Unscaled step for mode   80=        0.0000002602
 Unscaled step for mode   81=       -0.0000002886
 Unscaled step for mode   82=       -0.0000000749
 Unscaled step for mode   83=       -0.0000002052
 Unscaled step for mode   84=        0.0000006091
 Unscaled step for mode   85=        0.0000005834
 Unscaled step for mode   86=        0.0000001227
 Unscaled step for mode   87=        0.0000006605
 Unscaled step for mode   88=       -0.0000001139
 Unscaled step for mode   89=       -0.0000006248
 Unscaled step for mode   90=        0.0000009079
 Unscaled step for mode   91=        0.0000001990
 Unscaled step for mode   92=       -0.0000011097
 Unscaled step for mode   93=        0.0000004183
 Unscaled step for mode   94=       -0.0000009738
 Unscaled step for mode   95=       -0.0000004014
 Unscaled step for mode   96=       -0.0000000991
 Unscaled step for mode   97=        0.0000009994
 Unscaled step for mode   98=        0.0000011684
 Unscaled step for mode   99=        0.0000033167
 Unscaled step for mode  100=        0.0000025853
 Unscaled step for mode  101=        0.0000006920
 Unscaled step for mode  102=        0.0000035387
 Unscaled step for mode  103=       -0.0000009793
 Unscaled step for mode  104=       -0.0000035711
 Unscaled step for mode  105=        0.0000026594
 Unscaled step for mode  106=        0.0000009879
 Unscaled step for mode  107=        0.0000049708
 Unscaled step for mode  108=        0.0000002392
 Unscaled step for mode  109=       -0.0000051819
 Unscaled step for mode  110=        0.0006594234
 Unscaled step for mode  111=        0.0002795225
 Unscaled step for mode  112=        0.0009989064
 Unscaled step for mode  113=        0.0034272040
 Unscaled step for mode  114=       -0.1654127933
 Largest modulus ratio of non-zero e/values=           179.3322927    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.195590E-15    0.101901E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.154260E-14    0.100704E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.113277E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.196837E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.532485E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.287286E-15    0.973941E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.505349E-05    0.735105E+03  0.687452E-08 0.100000E-04    0.993560E+00
   8   -0.533129E-05    0.673811E+03  0.791214E-08 0.100000E-04    0.992608E+00
   9   -0.558149E-06    0.627290E+03  0.889779E-09 0.100000E-04    0.894303E+00
  10    0.216278E-05    0.603913E+03 -0.358127E-08 0.100000E-04    0.999026E+00
  11   -0.155894E-05    0.588002E+03  0.265125E-08 0.100000E-04    0.987288E+00
  12   -0.328361E-05    0.572619E+03  0.573438E-08 0.100000E-04    0.966904E+00
  13   -0.359935E-05    0.567039E+03  0.634763E-08 0.100000E-04    0.996972E+00
  14   -0.457808E-06    0.483623E+03  0.946621E-09 0.100000E-04    0.864339E+00
  15    0.186793E-05    0.464415E+03 -0.402212E-08 0.100000E-04    0.989628E+00
  16    0.651827E-05    0.461124E+03 -0.141356E-07 0.100000E-04    0.998915E+00
  17    0.455396E-05    0.441439E+03 -0.103162E-07 0.100000E-04    0.992790E+00
  18    0.496635E-05    0.429474E+03 -0.115638E-07 0.100000E-04    0.990717E+00
  19   -0.172068E-04    0.421935E+03  0.407806E-07 0.100000E-04    0.998976E+00
  20    0.690622E-05    0.408164E+03 -0.169202E-07 0.100000E-04    0.989939E+00
  21    0.678201E-05    0.397255E+03 -0.170722E-07 0.100000E-04    0.993067E+00
  22   -0.835995E-05    0.388788E+03  0.215026E-07 0.100000E-04    0.990668E+00
  23    0.835506E-06    0.368113E+03 -0.226970E-08 0.100000E-04    0.911610E+00
  24   -0.269008E-05    0.361514E+03  0.744115E-08 0.100000E-04    0.972281E+00
  25   -0.210622E-04    0.350642E+03  0.600676E-07 0.100000E-04    0.999264E+00
  26   -0.340237E-04    0.335725E+03  0.101344E-06 0.100000E-04    0.998980E+00
  27   -0.170626E-04    0.326293E+03  0.522922E-07 0.100000E-04    0.999767E+00
  28    0.145949E-04    0.321431E+03 -0.454060E-07 0.100000E-04    0.998675E+00
  29    0.146424E-04    0.320299E+03 -0.457147E-07 0.100000E-04    0.985166E+00
  30   -0.250782E-04    0.312044E+03  0.803674E-07 0.100000E-04    0.997662E+00
  31   -0.167233E-04    0.303608E+03  0.550818E-07 0.100000E-04    0.993464E+00
  32   -0.723100E-05    0.288835E+03  0.250350E-07 0.100000E-04    0.987501E+00
  33    0.127273E-04    0.278650E+03 -0.456746E-07 0.100000E-04    0.997307E+00
  34    0.121368E-04    0.270878E+03 -0.448055E-07 0.100000E-04    0.993968E+00
  35    0.242246E-04    0.267115E+03 -0.906898E-07 0.100000E-04    0.997763E+00
  36    0.192310E-04    0.264406E+03 -0.727329E-07 0.100000E-04    0.992666E+00
  37   -0.192438E-04    0.260000E+03  0.740145E-07 0.100000E-04    0.998406E+00
  38    0.324554E-06    0.253939E+03 -0.127808E-08 0.100000E-04    0.753853E+00
  39   -0.200846E-04    0.242149E+03  0.829432E-07 0.100000E-04    0.999247E+00
  40   -0.152486E-04    0.238589E+03  0.639115E-07 0.100000E-04    0.984313E+00
  41   -0.411872E-04    0.234738E+03  0.175460E-06 0.100000E-04    0.995868E+00
  42   -0.136447E-04    0.228391E+03  0.597425E-07 0.100000E-04    0.987982E+00
  43   -0.160415E-04    0.219622E+03  0.730414E-07 0.100000E-04    0.993204E+00
  44   -0.282125E-04    0.213970E+03  0.131853E-06 0.100000E-04    0.991586E+00
  45    0.908132E-06    0.212468E+03 -0.427421E-08 0.100000E-04    0.990078E+00
  46    0.268386E-04    0.207241E+03 -0.129504E-06 0.100000E-04    0.994755E+00
  47   -0.298605E-04    0.203575E+03  0.146681E-06 0.100000E-04    0.998429E+00
  48    0.551852E-05    0.197320E+03 -0.279674E-07 0.100000E-04    0.998757E+00
  49   -0.264151E-04    0.195183E+03  0.135335E-06 0.100000E-04    0.995934E+00
  50    0.917349E-05    0.191486E+03 -0.479068E-07 0.100000E-04    0.987328E+00
  51   -0.169221E-04    0.184016E+03  0.919599E-07 0.100000E-04    0.998492E+00
  52    0.416202E-05    0.174807E+03 -0.238092E-07 0.100000E-04    0.992019E+00
  53    0.136126E-04    0.171991E+03 -0.791472E-07 0.100000E-04    0.999270E+00
  54    0.191377E-04    0.167577E+03 -0.114202E-06 0.100000E-04    0.996641E+00
  55    0.207845E-04    0.164836E+03 -0.126093E-06 0.100000E-04    0.997328E+00
  56    0.600323E-05    0.158724E+03 -0.378219E-07 0.100000E-04    0.986559E+00
  57   -0.114614E-04    0.154096E+03  0.743780E-07 0.100000E-04    0.999814E+00
  58    0.249921E-04    0.151481E+03 -0.164985E-06 0.100000E-04    0.997740E+00
  59    0.251519E-05    0.148434E+03 -0.169448E-07 0.100000E-04    0.963356E+00
  60    0.232682E-04    0.143329E+03 -0.162341E-06 0.100000E-04    0.999779E+00
  61   -0.300687E-04    0.137185E+03  0.219183E-06 0.100000E-04    0.999376E+00
  62    0.285166E-04    0.135879E+03 -0.209867E-06 0.100000E-04    0.997863E+00
  63   -0.225105E-04    0.130627E+03  0.172327E-06 0.100000E-04    0.994969E+00
  64    0.295038E-04    0.128172E+03 -0.230189E-06 0.100000E-04    0.995350E+00
  65    0.214734E-04    0.126187E+03 -0.170171E-06 0.100000E-04    0.999646E+00
  66   -0.180919E-04    0.125490E+03  0.144170E-06 0.100000E-04    0.993959E+00
  67    0.867357E-05    0.119786E+03 -0.724087E-07 0.100000E-04    0.979911E+00
  68   -0.931124E-05    0.118091E+03  0.788477E-07 0.100000E-04    0.996613E+00
  69    0.634243E-05    0.117057E+03 -0.541824E-07 0.100000E-04    0.999764E+00
  70   -0.278015E-04    0.110880E+03  0.250735E-06 0.100000E-04    0.994642E+00
  71   -0.621901E-05    0.107684E+03  0.577525E-07 0.100000E-04    0.990737E+00
  72    0.631423E-04    0.104685E+03 -0.603164E-06 0.100000E-04    0.996311E+00
  73   -0.289347E-04    0.103093E+03  0.280667E-06 0.100000E-04    0.999696E+00
  74   -0.277637E-04    0.997474E+02  0.278340E-06 0.100000E-04    0.997121E+00
  75    0.781392E-04    0.958031E+02 -0.815624E-06 0.100000E-04    0.998239E+00
  76   -0.893918E-05    0.945744E+02  0.945201E-07 0.100000E-04    0.932585E+00
  77   -0.537065E-04    0.932424E+02  0.575988E-06 0.100000E-04    0.993842E+00
  78    0.588269E-05    0.905971E+02 -0.649325E-07 0.100000E-04    0.991595E+00
  79   -0.874015E-05    0.895893E+02  0.975580E-07 0.100000E-04    0.996865E+00
  80   -0.221331E-04    0.850636E+02  0.260195E-06 0.100000E-04    0.998606E+00
  81    0.233470E-04    0.809076E+02 -0.288563E-06 0.100000E-04    0.995827E+00
  82    0.597909E-05    0.798689E+02 -0.748613E-07 0.100000E-04    0.963472E+00
  83    0.160587E-04    0.782622E+02 -0.205191E-06 0.100000E-04    0.996316E+00
  84   -0.443658E-04    0.728371E+02  0.609109E-06 0.100000E-04    0.997372E+00
  85   -0.422000E-04    0.723345E+02  0.583400E-06 0.100000E-04    0.994229E+00
  86   -0.837588E-05    0.682680E+02  0.122691E-06 0.100000E-04    0.984703E+00
  87   -0.437551E-04    0.662488E+02  0.660467E-06 0.100000E-04    0.997003E+00
  88    0.718815E-05    0.630953E+02 -0.113925E-06 0.100000E-04    0.966900E+00
  89    0.374795E-04    0.599854E+02 -0.624811E-06 0.100000E-04    0.975786E+00
  90   -0.541973E-04    0.596957E+02  0.907893E-06 0.100000E-04    0.991567E+00
  91   -0.117529E-04    0.590701E+02  0.198965E-06 0.100000E-04    0.982715E+00
  92    0.621949E-04    0.560473E+02 -0.110969E-05 0.100000E-04    0.999950E+00
  93   -0.220459E-04    0.527045E+02  0.418292E-06 0.100000E-04    0.983987E+00
  94    0.509336E-04    0.523063E+02 -0.973756E-06 0.100000E-04    0.996753E+00
  95    0.200915E-04    0.500480E+02 -0.401445E-06 0.100000E-04    0.993014E+00
  96    0.469822E-05    0.474214E+02 -0.990738E-07 0.100000E-04    0.999880E+00
  97   -0.428435E-04    0.428697E+02  0.999388E-06 0.100000E-04    0.993617E+00
  98   -0.472669E-04    0.404540E+02  0.116841E-05 0.100000E-04    0.998933E+00
  99   -0.124466E-03    0.375275E+02  0.331665E-05 0.100000E-04    0.997425E+00
 100   -0.936933E-04    0.362407E+02  0.258531E-05 0.100000E-04    0.994897E+00
 101   -0.237441E-04    0.343111E+02  0.692024E-06 0.100000E-04    0.988484E+00
 102   -0.101928E-03    0.288043E+02  0.353866E-05 0.100000E-04    0.999624E+00
 103    0.280290E-04    0.286211E+02 -0.979313E-06 0.100000E-04    0.983916E+00
 104    0.974485E-04    0.272879E+02 -0.357112E-05 0.100000E-04    0.992426E+00
 105   -0.612530E-04    0.230329E+02  0.265937E-05 0.100000E-04    0.995493E+00
 106   -0.209624E-04    0.212192E+02  0.987899E-06 0.100000E-04    0.978951E+00
 107   -0.101979E-03    0.205157E+02  0.497078E-05 0.100000E-04    0.989964E+00
 108   -0.401903E-05    0.168001E+02  0.239226E-06 0.100000E-04    0.848996E+00
 109    0.715159E-04    0.138012E+02 -0.518187E-05 0.100000E-04    0.990782E+00
 110   -0.807292E-02    0.122424E+02  0.100000E-04 0.100000E-04    0.446514E+00
 111   -0.277555E-02    0.992961E+01  0.100000E-04 0.100000E-04    0.690119E+00
 112   -0.876128E-02    0.877087E+01  0.131256E-04 0.131256E-04    0.184810E+00
 113   -0.238519E-01    0.695949E+01  0.184443E-04 0.184443E-04    0.254428E+00
 114   -0.697121E+00    0.409912E+01 -0.400000E-03 0.400000E-03    0.758485E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1654127933    

 Beginning of optimization cycle  357.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3491620609
 potential> RMS force:                                               0.0654922653   |gradient|=.6992660417    
 Eigenvalues of the Hessian matrix:
   735.16801    673.81926    627.30248    603.90244    587.99233    572.66149 
   567.04191    483.64932    464.39152    461.11715    441.44071    429.46727 
   421.93864    408.17034    397.24979    388.78559    368.12113    361.50573 
   350.63474    335.70996    326.30724    321.43086    320.29751    312.02272 
   303.59385    288.84499    278.64577    270.88328    267.12369    264.41153 
   260.01598    253.93943    242.14410    238.60220    234.72584    228.38604 
   219.60072    213.97719    212.47441    207.23745    203.57482    197.31191 
   195.17918    191.48456    184.00632    174.79709    171.99665    167.57870 
   164.82751    158.71290    154.10139    151.48700    148.42487    143.33115 
   137.18869    135.88139    130.62548    128.17662    126.19051    125.48617 
   119.78811    118.09228    117.05821    110.87445    107.67656    104.68232 
   103.09282     99.74636     95.80054     94.56259     93.25414     90.60109 
    89.58389     85.06652     80.90734     79.87115     78.26105     72.83945 
    72.33920     68.26734     66.23671     63.09027     59.98125     59.69275 
    59.06979     56.04757     52.70174     52.30696     50.04709     47.41631 
    42.86960     40.45665     37.53166     36.24350     34.29898     28.80391 
    28.61980     27.27997     23.03490     21.21279     20.51989     16.79941 
    13.80165     12.24222      9.93107      8.76552      6.95199      4.09391 
overlap for current and previous eigenvector    109 is        -0.9999997138
overlap for current and previous eigenvector    110 is         0.9999995652
overlap for current and previous eigenvector    111 is         0.9999992190
overlap for current and previous eigenvector    112 is         0.9999944774
overlap for current and previous eigenvector    113 is         0.9999950355
overlap for current and previous eigenvector    114 is         0.9999997222
J1,K1,R1,R2,RAT=   7   7   -0.7038492845E-02     2.006866111        0.9929615072    
FOB,PFOB,DIAG,PSTEP=   -0.5089061685E-05   -0.5053489668E-05     735.1680058        0.6874517430E-08
J1,K1,R1,R2,RAT=   8   8    0.2074270366E-02     1.997901112        0.9979011120    
FOB,PFOB,DIAG,PSTEP=   -0.5320227706E-05   -0.5331286372E-05     673.8192604        0.7912139512E-08
J1,K1,R1,R2,RAT=   9   9   -0.2065069470E-01     2.020610903        0.9793493053    
FOB,PFOB,DIAG,PSTEP=   -0.5696758336E-06   -0.5581494308E-06     627.3024755        0.8897789466E-09
J1,K1,R1,R2,RAT=  10  10   -0.2041634657E-01     2.020451203        0.9795836534    
FOB,PFOB,DIAG,PSTEP=    0.2206931813E-05    0.2162776587E-05     603.9024352       -0.3581272020E-08
J1,K1,R1,R2,RAT=  11  11   -0.5588665445E-02     2.005621877        0.9944113346    
FOB,PFOB,DIAG,PSTEP=   -0.1567652065E-05   -0.1558939816E-05     587.9923344        0.2651248730E-08
J1,K1,R1,R2,RAT= 109 109     2.000831138       -0.9000935795E-03    0.9990999064    
FOB,PFOB,DIAG,PSTEP=   -0.7158027589E-04    0.7151590267E-04     13.80164658       -0.5181872182E-05
J1,K1,R1,R2,RAT= 110 110   -0.5670458361         132.4535671        0.4329541639    
FOB,PFOB,DIAG,PSTEP=   -0.8142337238E-02   -0.8072918246E-02     12.24221879        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3087739451         55.58751758        0.6912260549    
FOB,PFOB,DIAG,PSTEP=   -0.2744885769E-02   -0.2775550330E-02     9.931071470        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6558036461         152.9558598        0.3441963539    
FOB,PFOB,DIAG,PSTEP=   -0.8836735396E-02   -0.8761283270E-02     8.765518002        0.1312562730E-04
J1,K1,R1,R2,RAT= 113 113   -0.9082574359         372.9401101        0.9174256409E-01
FOB,PFOB,DIAG,PSTEP=   -0.2396832916E-01   -0.2385186797E-01     6.951988950        0.1844434318E-04
J1,K1,R1,R2,RAT= 114 114    0.9924590997        -852.4049557        0.7540900319E-02
FOB,PFOB,DIAG,PSTEP=   -0.6987463585       -0.6971211434         4.093909510       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001      0.00003     -0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002      0.00002 
     0.00001     -0.00001      0.00001     -0.00003     -0.00001      0.00006 
    -0.00003     -0.00003     -0.00008     -0.00001     -0.00005      0.00001 
     0.00001     -0.00002      0.00002      0.00001      0.00002     -0.00004 
    -0.00004     -0.00001     -0.00004      0.00001      0.00004     -0.00006 
    -0.00001      0.00006     -0.00002      0.00005     -0.00002      0.00000 
     0.00004      0.00005      0.00012      0.00009     -0.00002     -0.00010 
    -0.00003     -0.00010      0.00006      0.00002     -0.00010      0.00000 
    -0.00007     -0.00814     -0.00274     -0.00884     -0.02397     -0.69875 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4213959101
 Log product of positive Hessian eigenvalues =          519.7109326227
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0939095104
 Unscaled step for mode    7=        0.0000000069
 Unscaled step for mode    8=        0.0000000079
 Unscaled step for mode    9=        0.0000000009
 Unscaled step for mode   10=       -0.0000000037
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000058
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000009
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000142
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000409
 Unscaled step for mode   20=       -0.0000000169
 Unscaled step for mode   21=       -0.0000000171
 Unscaled step for mode   22=        0.0000000216
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000075
 Unscaled step for mode   25=        0.0000000602
 Unscaled step for mode   26=        0.0000001016
 Unscaled step for mode   27=        0.0000000523
 Unscaled step for mode   28=       -0.0000000454
 Unscaled step for mode   29=       -0.0000000465
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000552
 Unscaled step for mode   32=        0.0000000252
 Unscaled step for mode   33=       -0.0000000460
 Unscaled step for mode   34=       -0.0000000452
 Unscaled step for mode   35=       -0.0000000906
 Unscaled step for mode   36=       -0.0000000729
 Unscaled step for mode   37=        0.0000000742
 Unscaled step for mode   38=       -0.0000000015
 Unscaled step for mode   39=        0.0000000832
 Unscaled step for mode   40=        0.0000000647
 Unscaled step for mode   41=        0.0000001758
 Unscaled step for mode   42=        0.0000000599
 Unscaled step for mode   43=        0.0000000732
 Unscaled step for mode   44=        0.0000001322
 Unscaled step for mode   45=       -0.0000000047
 Unscaled step for mode   46=       -0.0000001300
 Unscaled step for mode   47=        0.0000001464
 Unscaled step for mode   48=       -0.0000000282
 Unscaled step for mode   49=        0.0000001353
 Unscaled step for mode   50=       -0.0000000487
 Unscaled step for mode   51=        0.0000000919
 Unscaled step for mode   52=        0.0000000239
 Unscaled step for mode   53=       -0.0000000794
 Unscaled step for mode   54=       -0.0000001144
 Unscaled step for mode   55=       -0.0000001262
 Unscaled step for mode   56=       -0.0000000381
 Unscaled step for mode   57=        0.0000000749
 Unscaled step for mode   58=       -0.0000001652
 Unscaled step for mode   59=        0.0000000176
 Unscaled step for mode   60=        0.0000001624
 Unscaled step for mode   61=        0.0000002209
 Unscaled step for mode   62=        0.0000002097
 Unscaled step for mode   63=       -0.0000001732
 Unscaled step for mode   64=        0.0000002313
 Unscaled step for mode   65=        0.0000001717
 Unscaled step for mode   66=       -0.0000001437
 Unscaled step for mode   67=       -0.0000000724
 Unscaled step for mode   68=        0.0000000790
 Unscaled step for mode   69=       -0.0000000548
 Unscaled step for mode   70=        0.0000002503
 Unscaled step for mode   71=        0.0000000579
 Unscaled step for mode   72=       -0.0000006065
 Unscaled step for mode   73=        0.0000002812
 Unscaled step for mode   74=        0.0000002789
 Unscaled step for mode   75=        0.0000008174
 Unscaled step for mode   76=        0.0000001009
 Unscaled step for mode   77=        0.0000005738
 Unscaled step for mode   78=       -0.0000000650
 Unscaled step for mode   79=       -0.0000000980
 Unscaled step for mode   80=        0.0000002596
 Unscaled step for mode   81=       -0.0000002894
 Unscaled step for mode   82=       -0.0000000754
 Unscaled step for mode   83=       -0.0000002035
 Unscaled step for mode   84=        0.0000006139
 Unscaled step for mode   85=        0.0000005851
 Unscaled step for mode   86=        0.0000001255
 Unscaled step for mode   87=        0.0000006613
 Unscaled step for mode   88=       -0.0000001157
 Unscaled step for mode   89=       -0.0000006088
 Unscaled step for mode   90=        0.0000009230
 Unscaled step for mode   91=        0.0000002061
 Unscaled step for mode   92=       -0.0000011071
 Unscaled step for mode   93=        0.0000004152
 Unscaled step for mode   94=       -0.0000009791
 Unscaled step for mode   95=        0.0000004037
 Unscaled step for mode   96=       -0.0000000942
 Unscaled step for mode   97=       -0.0000010077
 Unscaled step for mode   98=       -0.0000011748
 Unscaled step for mode   99=       -0.0000033282
 Unscaled step for mode  100=       -0.0000025783
 Unscaled step for mode  101=        0.0000007075
 Unscaled step for mode  102=        0.0000035521
 Unscaled step for mode  103=        0.0000009897
 Unscaled step for mode  104=        0.0000036106
 Unscaled step for mode  105=       -0.0000026653
 Unscaled step for mode  106=       -0.0000010679
 Unscaled step for mode  107=        0.0000049197
 Unscaled step for mode  108=       -0.0000002892
 Unscaled step for mode  109=        0.0000051864
 Unscaled step for mode  110=        0.0006651028
 Unscaled step for mode  111=        0.0002763937
 Unscaled step for mode  112=        0.0010081237
 Unscaled step for mode  113=        0.0034476528
 Unscaled step for mode  114=       -0.1659775133
 Largest modulus ratio of non-zero e/values=           179.5760272    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.163931E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.781710E-16    0.100704E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.493645E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.358654E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.496022E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.621763E-15    0.973943E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.508906E-05    0.735168E+03  0.692231E-08 0.100000E-04    0.992962E+00
   8   -0.532023E-05    0.673819E+03  0.789563E-08 0.100000E-04    0.997901E+00
   9   -0.569676E-06    0.627302E+03  0.908136E-09 0.100000E-04    0.979349E+00
  10    0.220693E-05    0.603902E+03 -0.365445E-08 0.100000E-04    0.979584E+00
  11   -0.156765E-05    0.587992E+03  0.266611E-08 0.100000E-04    0.994411E+00
  12   -0.329517E-05    0.572661E+03  0.575414E-08 0.100000E-04    0.996480E+00
  13   -0.357375E-05    0.567042E+03  0.630244E-08 0.100000E-04    0.992874E+00
  14   -0.433531E-06    0.483649E+03  0.896375E-09 0.100000E-04    0.946866E+00
  15    0.184760E-05    0.464392E+03 -0.397854E-08 0.100000E-04    0.989114E+00
  16    0.655313E-05    0.461117E+03 -0.142114E-07 0.100000E-04    0.994652E+00
  17    0.459308E-05    0.441441E+03 -0.104048E-07 0.100000E-04    0.991410E+00
  18    0.495567E-05    0.429467E+03 -0.115391E-07 0.100000E-04    0.997851E+00
  19   -0.172649E-04    0.421939E+03  0.409181E-07 0.100000E-04    0.996619E+00
  20    0.690323E-05    0.408170E+03 -0.169126E-07 0.100000E-04    0.999534E+00
  21    0.678545E-05    0.397250E+03 -0.170811E-07 0.100000E-04    0.999493E+00
  22   -0.841712E-05    0.388786E+03  0.216498E-07 0.100000E-04    0.993162E+00
  23    0.813139E-06    0.368121E+03 -0.220889E-08 0.100000E-04    0.973185E+00
  24   -0.272766E-05    0.361506E+03  0.754528E-08 0.100000E-04    0.986030E+00
  25   -0.211020E-04    0.350635E+03  0.601822E-07 0.100000E-04    0.998114E+00
  26   -0.341009E-04    0.335710E+03  0.101578E-06 0.100000E-04    0.997731E+00
  27   -0.170751E-04    0.326307E+03  0.523283E-07 0.100000E-04    0.999267E+00
  28    0.146078E-04    0.321431E+03 -0.454463E-07 0.100000E-04    0.999111E+00
  29    0.148947E-04    0.320298E+03 -0.465026E-07 0.100000E-04    0.982768E+00
  30   -0.250251E-04    0.312023E+03  0.802029E-07 0.100000E-04    0.997883E+00
  31   -0.167587E-04    0.303594E+03  0.552011E-07 0.100000E-04    0.997880E+00
  32   -0.728574E-05    0.288845E+03  0.252237E-07 0.100000E-04    0.992431E+00
  33    0.128141E-04    0.278646E+03 -0.459869E-07 0.100000E-04    0.993180E+00
  34    0.122407E-04    0.270883E+03 -0.451880E-07 0.100000E-04    0.991444E+00
  35    0.241915E-04    0.267124E+03 -0.905629E-07 0.100000E-04    0.998569E+00
  36    0.192883E-04    0.264412E+03 -0.729482E-07 0.100000E-04    0.997018E+00
  37   -0.192945E-04    0.260016E+03  0.742051E-07 0.100000E-04    0.997363E+00
  38    0.380597E-06    0.253939E+03 -0.149877E-08 0.100000E-04    0.827321E+00
  39   -0.201390E-04    0.242144E+03  0.831697E-07 0.100000E-04    0.997288E+00
  40   -0.154334E-04    0.238602E+03  0.646825E-07 0.100000E-04    0.987882E+00
  41   -0.412755E-04    0.234726E+03  0.175846E-06 0.100000E-04    0.997857E+00
  42   -0.136910E-04    0.228386E+03  0.599469E-07 0.100000E-04    0.996602E+00
  43   -0.160705E-04    0.219601E+03  0.731804E-07 0.100000E-04    0.998192E+00
  44   -0.282954E-04    0.213977E+03  0.132236E-06 0.100000E-04    0.997061E+00
  45    0.999570E-06    0.212474E+03 -0.470443E-08 0.100000E-04    0.899315E+00
  46    0.269329E-04    0.207237E+03 -0.129961E-06 0.100000E-04    0.996487E+00
  47   -0.298115E-04    0.203575E+03  0.146440E-06 0.100000E-04    0.998354E+00
  48    0.555885E-05    0.197312E+03 -0.281729E-07 0.100000E-04    0.992691E+00
  49   -0.264166E-04    0.195179E+03  0.135345E-06 0.100000E-04    0.999944E+00
  50    0.932800E-05    0.191485E+03 -0.487141E-07 0.100000E-04    0.983156E+00
  51   -0.169109E-04    0.184006E+03  0.919037E-07 0.100000E-04    0.999335E+00
  52   -0.418014E-05    0.174797E+03  0.239143E-07 0.100000E-04    0.995645E+00
  53    0.136520E-04    0.171997E+03 -0.793734E-07 0.100000E-04    0.997112E+00
  54    0.191714E-04    0.167579E+03 -0.114403E-06 0.100000E-04    0.998236E+00
  55    0.208002E-04    0.164828E+03 -0.126194E-06 0.100000E-04    0.999246E+00
  56    0.605327E-05    0.158713E+03 -0.381398E-07 0.100000E-04    0.991664E+00
  57   -0.115372E-04    0.154101E+03  0.748673E-07 0.100000E-04    0.993388E+00
  58    0.250293E-04    0.151487E+03 -0.165224E-06 0.100000E-04    0.998509E+00
  59   -0.261425E-05    0.148425E+03  0.176133E-07 0.100000E-04    0.960613E+00
  60   -0.232770E-04    0.143331E+03  0.162400E-06 0.100000E-04    0.999623E+00
  61   -0.303007E-04    0.137189E+03  0.220868E-06 0.100000E-04    0.992287E+00
  62   -0.284902E-04    0.135881E+03  0.209670E-06 0.100000E-04    0.999045E+00
  63    0.226183E-04    0.130625E+03 -0.173154E-06 0.100000E-04    0.995213E+00
  64   -0.296509E-04    0.128177E+03  0.231328E-06 0.100000E-04    0.995014E+00
  65   -0.216611E-04    0.126191E+03  0.171654E-06 0.100000E-04    0.991259E+00
  66    0.180320E-04    0.125486E+03 -0.143697E-06 0.100000E-04    0.996687E+00
  67    0.867670E-05    0.119788E+03 -0.724338E-07 0.100000E-04    0.999639E+00
  68   -0.932937E-05    0.118092E+03  0.790007E-07 0.100000E-04    0.998053E+00
  69    0.641881E-05    0.117058E+03 -0.548343E-07 0.100000E-04    0.987957E+00
  70   -0.277549E-04    0.110874E+03  0.250327E-06 0.100000E-04    0.998324E+00
  71   -0.623203E-05    0.107677E+03  0.578773E-07 0.100000E-04    0.997906E+00
  72    0.634931E-04    0.104682E+03 -0.606531E-06 0.100000E-04    0.994444E+00
  73   -0.289872E-04    0.103093E+03  0.281176E-06 0.100000E-04    0.998185E+00
  74   -0.278175E-04    0.997464E+02  0.278882E-06 0.100000E-04    0.998061E+00
  75   -0.783072E-04    0.958005E+02  0.817398E-06 0.100000E-04    0.997850E+00
  76   -0.953916E-05    0.945626E+02  0.100877E-06 0.100000E-04    0.932873E+00
  77   -0.535049E-04    0.932541E+02  0.573753E-06 0.100000E-04    0.995994E+00
  78    0.588918E-05    0.906011E+02 -0.650012E-07 0.100000E-04    0.998897E+00
  79    0.878143E-05    0.895839E+02 -0.980247E-07 0.100000E-04    0.995276E+00
  80   -0.220870E-04    0.850665E+02  0.259644E-06 0.100000E-04    0.997848E+00
  81    0.234139E-04    0.809073E+02 -0.289391E-06 0.100000E-04    0.997135E+00
  82    0.602152E-05    0.798711E+02 -0.753905E-07 0.100000E-04    0.992903E+00
  83    0.159274E-04    0.782610E+02 -0.203516E-06 0.100000E-04    0.991823E+00
  84   -0.447129E-04    0.728395E+02  0.613856E-06 0.100000E-04    0.992175E+00
  85   -0.423258E-04    0.723392E+02  0.585101E-06 0.100000E-04    0.997019E+00
  86   -0.857080E-05    0.682673E+02  0.125548E-06 0.100000E-04    0.976728E+00
  87   -0.438049E-04    0.662367E+02  0.661338E-06 0.100000E-04    0.998863E+00
  88    0.729853E-05    0.630903E+02 -0.115684E-06 0.100000E-04    0.984643E+00
  89    0.365185E-04    0.599813E+02 -0.608832E-06 0.100000E-04    0.974358E+00
  90   -0.550937E-04    0.596928E+02  0.922954E-06 0.100000E-04    0.983460E+00
  91   -0.121718E-04    0.590698E+02  0.206058E-06 0.100000E-04    0.964356E+00
  92    0.620511E-04    0.560476E+02 -0.110711E-05 0.100000E-04    0.997678E+00
  93   -0.218844E-04    0.527017E+02  0.415249E-06 0.100000E-04    0.992674E+00
  94    0.512126E-04    0.523070E+02 -0.979078E-06 0.100000E-04    0.994522E+00
  95   -0.202063E-04    0.500471E+02  0.403747E-06 0.100000E-04    0.994285E+00
  96    0.446515E-05    0.474163E+02 -0.941690E-07 0.100000E-04    0.950385E+00
  97    0.431999E-04    0.428696E+02 -0.100771E-05 0.100000E-04    0.991680E+00
  98    0.475296E-04    0.404567E+02 -0.117483E-05 0.100000E-04    0.994442E+00
  99    0.124913E-03    0.375317E+02 -0.332821E-05 0.100000E-04    0.996404E+00
 100    0.934470E-04    0.362435E+02 -0.257831E-05 0.100000E-04    0.997216E+00
 101   -0.242671E-04    0.342990E+02  0.707517E-06 0.100000E-04    0.977967E+00
 102   -0.102313E-03    0.288039E+02  0.355206E-05 0.100000E-04    0.996226E+00
 103   -0.283247E-04    0.286198E+02  0.989687E-06 0.100000E-04    0.989452E+00
 104   -0.984965E-04    0.272800E+02  0.361058E-05 0.100000E-04    0.989243E+00
 105    0.613960E-04    0.230349E+02 -0.266535E-05 0.100000E-04    0.997667E+00
 106    0.226540E-04    0.212128E+02 -0.106794E-05 0.100000E-04    0.919280E+00
 107   -0.100951E-03    0.205199E+02  0.491966E-05 0.100000E-04    0.989513E+00
 108    0.485823E-05    0.167994E+02 -0.289190E-06 0.100000E-04    0.791184E+00
 109   -0.715803E-04    0.138016E+02  0.518636E-05 0.100000E-04    0.999100E+00
 110   -0.814234E-02    0.122422E+02  0.100000E-04 0.100000E-04    0.432954E+00
 111   -0.274489E-02    0.993107E+01  0.100000E-04 0.100000E-04    0.691226E+00
 112   -0.883674E-02    0.876552E+01  0.118249E-04 0.118249E-04    0.344196E+00
 113   -0.239683E-01    0.695199E+01  0.201043E-04 0.201043E-04    0.917426E-01
 114   -0.698746E+00    0.409391E+01 -0.400000E-03 0.400000E-03    0.754090E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1659775133    

 Beginning of optimization cycle  358.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3488829287
 potential> RMS force:                                               0.0656446734   |gradient|=.7008933142    
 Eigenvalues of the Hessian matrix:
   735.23141    673.82734    627.31490    603.89207    587.98244    572.70447 
   567.04505    483.67545    464.36822    461.11081    441.44274    429.46018 
   421.94195    408.17702    397.24470    388.78342    368.12952    361.49730 
   350.62738    335.69537    326.32174    321.43123    320.29631    312.00123 
   303.58004    288.85468    278.64108    270.88908    267.13217    264.41753 
   260.03263    253.93982    242.13976    238.61524    234.71361    228.38098 
   219.57985    213.98482    212.48096    207.23413    203.57506    197.30413 
   195.17562    191.48293    183.99650    174.78703    172.00185    167.58026 
   164.81946    158.70189    154.10654    151.49281    148.41585    143.33333 
   137.19197    135.88331    130.62390    128.18126    126.19399    125.48216 
   119.78983    118.09308    117.05945    110.86896    107.66929    104.67949 
   103.09275     99.74529     95.79809     94.55070     93.26585     90.60514 
    89.57846     85.06948     80.90703     79.87339     78.25987     72.84176 
    72.34382     68.26661     66.22463     63.08514     59.97731     59.68959 
    59.06933     56.04778     52.69893     52.30756     50.04616     47.41110 
    42.86950     40.45926     37.53577     36.24614     34.28676     28.80354 
    28.61850     27.27202     23.03689     21.20639     20.52398     16.79872 
    13.80212     12.24206      9.93254      8.76019      6.94443      4.08869 
overlap for current and previous eigenvector    109 is         0.9999997120
overlap for current and previous eigenvector    110 is         0.9999995642
overlap for current and previous eigenvector    111 is         0.9999992264
overlap for current and previous eigenvector    112 is         0.9999944942
overlap for current and previous eigenvector    113 is         0.9999950433
overlap for current and previous eigenvector    114 is         0.9999997221
J1,K1,R1,R2,RAT=   7   7   -0.5506647599E-02     2.005334185        0.9944933524    
FOB,PFOB,DIAG,PSTEP=   -0.5117087771E-05   -0.5089061685E-05     735.2314056        0.6922311152E-08
J1,K1,R1,R2,RAT=   8   8   -0.8736724762E-02     2.008712735        0.9912632752    
FOB,PFOB,DIAG,PSTEP=   -0.5366709629E-05   -0.5320227706E-05     673.8273429        0.7895630206E-08
J1,K1,R1,R2,RAT=   9   9   -0.1370376865E-01     2.013664154        0.9862962314    
FOB,PFOB,DIAG,PSTEP=   -0.5774826941E-06   -0.5696758336E-06     627.3149011        0.9081357970E-09
J1,K1,R1,R2,RAT=  10  10    0.1102644281E-01     1.989007878        0.9889735572    
FOB,PFOB,DIAG,PSTEP=    0.2182597624E-05    0.2206931813E-05     603.8920721       -0.3654450926E-08
J1,K1,R1,R2,RAT=  11  11   -0.7329156542E-02     2.007362813        0.9926708435    
FOB,PFOB,DIAG,PSTEP=   -0.1579141439E-05   -0.1567652065E-05     587.9824397        0.2666109698E-08
J1,K1,R1,R2,RAT= 109 109    0.5445382974E-02     1.994486009        0.9944860085    
FOB,PFOB,DIAG,PSTEP=   -0.7119048051E-04   -0.7158027589E-04     13.80212005        0.5186357692E-05
J1,K1,R1,R2,RAT= 110 110   -0.5577877389         133.5801399        0.4422122611    
FOB,PFOB,DIAG,PSTEP=   -0.8210621940E-02   -0.8142337238E-02     12.24205873        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3149305316         54.95563217        0.6850694684    
FOB,PFOB,DIAG,PSTEP=   -0.2713605163E-02   -0.2744885769E-02     9.932541428        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8459545234         171.4586565        0.1540454766    
FOB,PFOB,DIAG,PSTEP=   -0.8924366343E-02   -0.8836735396E-02     8.760187385        0.1182488946E-04
J1,K1,R1,R2,RAT= 113 113   -0.7750821197         344.1286206        0.2249178803    
FOB,PFOB,DIAG,PSTEP=   -0.2407654080E-01   -0.2396832916E-01     6.944428909        0.2010433407E-04
J1,K1,R1,R2,RAT= 114 114    0.9923609861        -855.4795460        0.7639013860E-02
FOB,PFOB,DIAG,PSTEP=   -0.7003693404       -0.6987463585         4.088688343       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001      0.00001     -0.00003      0.00000     -0.00002 
     0.00003      0.00003     -0.00002      0.00003      0.00002     -0.00002 
    -0.00001      0.00001     -0.00001      0.00003     -0.00001     -0.00006 
    -0.00003      0.00003     -0.00008     -0.00001     -0.00005      0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001      0.00002     -0.00004 
    -0.00004      0.00001      0.00004      0.00001      0.00004      0.00006 
    -0.00001      0.00006     -0.00002      0.00005      0.00002     -0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009      0.00002     -0.00010 
    -0.00003     -0.00010     -0.00006     -0.00002      0.00010      0.00000 
    -0.00007     -0.00821     -0.00271     -0.00892     -0.02408     -0.70037 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4212206598
 Log product of positive Hessian eigenvalues =          519.7069342402
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0886883430
 Unscaled step for mode    7=        0.0000000070
 Unscaled step for mode    8=        0.0000000080
 Unscaled step for mode    9=        0.0000000009
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000059
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=        0.0000000008
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000142
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000410
 Unscaled step for mode   20=       -0.0000000168
 Unscaled step for mode   21=       -0.0000000170
 Unscaled step for mode   22=        0.0000000217
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000076
 Unscaled step for mode   25=        0.0000000603
 Unscaled step for mode   26=        0.0000001017
 Unscaled step for mode   27=        0.0000000524
 Unscaled step for mode   28=       -0.0000000454
 Unscaled step for mode   29=       -0.0000000471
 Unscaled step for mode   30=        0.0000000803
 Unscaled step for mode   31=        0.0000000556
 Unscaled step for mode   32=        0.0000000253
 Unscaled step for mode   33=       -0.0000000460
 Unscaled step for mode   34=       -0.0000000453
 Unscaled step for mode   35=       -0.0000000907
 Unscaled step for mode   36=       -0.0000000732
 Unscaled step for mode   37=        0.0000000744
 Unscaled step for mode   38=       -0.0000000017
 Unscaled step for mode   39=        0.0000000833
 Unscaled step for mode   40=        0.0000000653
 Unscaled step for mode   41=        0.0000001763
 Unscaled step for mode   42=        0.0000000603
 Unscaled step for mode   43=        0.0000000737
 Unscaled step for mode   44=        0.0000001330
 Unscaled step for mode   45=       -0.0000000045
 Unscaled step for mode   46=       -0.0000001305
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000283
 Unscaled step for mode   49=        0.0000001360
 Unscaled step for mode   50=       -0.0000000481
 Unscaled step for mode   51=        0.0000000924
 Unscaled step for mode   52=        0.0000000242
 Unscaled step for mode   53=       -0.0000000796
 Unscaled step for mode   54=       -0.0000001151
 Unscaled step for mode   55=       -0.0000001263
 Unscaled step for mode   56=       -0.0000000377
 Unscaled step for mode   57=       -0.0000000753
 Unscaled step for mode   58=        0.0000001655
 Unscaled step for mode   59=       -0.0000000176
 Unscaled step for mode   60=        0.0000001630
 Unscaled step for mode   61=       -0.0000002211
 Unscaled step for mode   62=       -0.0000002090
 Unscaled step for mode   63=        0.0000001722
 Unscaled step for mode   64=       -0.0000002325
 Unscaled step for mode   65=       -0.0000001721
 Unscaled step for mode   66=        0.0000001423
 Unscaled step for mode   67=        0.0000000732
 Unscaled step for mode   68=       -0.0000000790
 Unscaled step for mode   69=        0.0000000547
 Unscaled step for mode   70=       -0.0000002518
 Unscaled step for mode   71=        0.0000000580
 Unscaled step for mode   72=        0.0000006076
 Unscaled step for mode   73=        0.0000002817
 Unscaled step for mode   74=       -0.0000002776
 Unscaled step for mode   75=        0.0000008194
 Unscaled step for mode   76=        0.0000001061
 Unscaled step for mode   77=        0.0000005711
 Unscaled step for mode   78=       -0.0000000682
 Unscaled step for mode   79=        0.0000000968
 Unscaled step for mode   80=        0.0000002604
 Unscaled step for mode   81=        0.0000002899
 Unscaled step for mode   82=        0.0000000783
 Unscaled step for mode   83=       -0.0000002054
 Unscaled step for mode   84=        0.0000006147
 Unscaled step for mode   85=        0.0000005818
 Unscaled step for mode   86=       -0.0000001285
 Unscaled step for mode   87=       -0.0000006624
 Unscaled step for mode   88=       -0.0000001160
 Unscaled step for mode   89=       -0.0000005958
 Unscaled step for mode   90=       -0.0000009319
 Unscaled step for mode   91=        0.0000002108
 Unscaled step for mode   92=       -0.0000011100
 Unscaled step for mode   93=        0.0000004082
 Unscaled step for mode   94=       -0.0000009791
 Unscaled step for mode   95=       -0.0000003968
 Unscaled step for mode   96=        0.0000000930
 Unscaled step for mode   97=        0.0000010038
 Unscaled step for mode   98=        0.0000011772
 Unscaled step for mode   99=        0.0000033219
 Unscaled step for mode  100=        0.0000025758
 Unscaled step for mode  101=       -0.0000007044
 Unscaled step for mode  102=        0.0000035485
 Unscaled step for mode  103=        0.0000010009
 Unscaled step for mode  104=        0.0000036060
 Unscaled step for mode  105=        0.0000026796
 Unscaled step for mode  106=        0.0000010424
 Unscaled step for mode  107=       -0.0000049377
 Unscaled step for mode  108=       -0.0000002872
 Unscaled step for mode  109=        0.0000051579
 Unscaled step for mode  110=        0.0006706893
 Unscaled step for mode  111=        0.0002732035
 Unscaled step for mode  112=        0.0010187404
 Unscaled step for mode  113=        0.0034669880
 Unscaled step for mode  114=       -0.1665432485
 Largest modulus ratio of non-zero e/values=           179.8208481    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.371665E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.995406E-15    0.100704E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.138561E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.241127E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.768268E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.155719E-15    0.973944E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.511709E-05    0.735231E+03  0.695983E-08 0.100000E-04    0.994493E+00
   8   -0.536671E-05    0.673827E+03  0.796452E-08 0.100000E-04    0.991263E+00
   9   -0.577483E-06    0.627315E+03  0.920563E-09 0.100000E-04    0.986296E+00
  10    0.218260E-05    0.603892E+03 -0.361422E-08 0.100000E-04    0.988974E+00
  11   -0.157914E-05    0.587982E+03  0.268569E-08 0.100000E-04    0.992671E+00
  12   -0.335240E-05    0.572704E+03  0.585363E-08 0.100000E-04    0.982634E+00
  13   -0.360631E-05    0.567045E+03  0.635982E-08 0.100000E-04    0.990889E+00
  14   -0.376719E-06    0.483675E+03  0.778867E-09 0.100000E-04    0.868854E+00
  15    0.187807E-05    0.464368E+03 -0.404435E-08 0.100000E-04    0.983510E+00
  16    0.656011E-05    0.461111E+03 -0.142267E-07 0.100000E-04    0.998935E+00
  17    0.457853E-05    0.441443E+03 -0.103717E-07 0.100000E-04    0.996821E+00
  18    0.497499E-05    0.429460E+03 -0.115843E-07 0.100000E-04    0.996103E+00
  19   -0.172899E-04    0.421942E+03  0.409769E-07 0.100000E-04    0.998556E+00
  20    0.687029E-05    0.408177E+03 -0.168317E-07 0.100000E-04    0.995197E+00
  21    0.676412E-05    0.397245E+03 -0.170276E-07 0.100000E-04    0.996857E+00
  22   -0.843487E-05    0.388783E+03  0.216956E-07 0.100000E-04    0.997891E+00
  23    0.840926E-06    0.368130E+03 -0.228432E-08 0.100000E-04    0.965829E+00
  24   -0.275228E-05    0.361497E+03  0.761356E-08 0.100000E-04    0.990975E+00
  25   -0.211585E-04    0.350627E+03  0.603448E-07 0.100000E-04    0.997319E+00
  26   -0.341308E-04    0.335695E+03  0.101672E-06 0.100000E-04    0.999124E+00
  27   -0.171137E-04    0.326322E+03  0.524443E-07 0.100000E-04    0.997738E+00
  28    0.146043E-04    0.321431E+03 -0.454353E-07 0.100000E-04    0.999756E+00
  29    0.150767E-04    0.320296E+03 -0.470712E-07 0.100000E-04    0.987777E+00
  30   -0.250585E-04    0.312001E+03  0.803155E-07 0.100000E-04    0.998665E+00
  31   -0.168851E-04    0.303580E+03  0.556199E-07 0.100000E-04    0.992459E+00
  32   -0.729714E-05    0.288855E+03  0.252623E-07 0.100000E-04    0.998436E+00
  33    0.128037E-04    0.278641E+03 -0.459506E-07 0.100000E-04    0.999193E+00
  34    0.122841E-04    0.270889E+03 -0.453475E-07 0.100000E-04    0.996449E+00
  35    0.242310E-04    0.267132E+03 -0.907079E-07 0.100000E-04    0.998367E+00
  36    0.193470E-04    0.264418E+03 -0.731683E-07 0.100000E-04    0.996960E+00
  37   -0.193406E-04    0.260033E+03  0.743778E-07 0.100000E-04    0.997609E+00
  38    0.427736E-06    0.253940E+03 -0.168440E-08 0.100000E-04    0.876147E+00
  39   -0.201609E-04    0.242140E+03  0.832614E-07 0.100000E-04    0.998915E+00
  40   -0.155786E-04    0.238615E+03  0.652876E-07 0.100000E-04    0.990589E+00
  41   -0.413838E-04    0.234714E+03  0.176316E-06 0.100000E-04    0.997375E+00
  42   -0.137648E-04    0.228381E+03  0.602713E-07 0.100000E-04    0.994610E+00
  43   -0.161869E-04    0.219580E+03  0.737177E-07 0.100000E-04    0.992752E+00
  44   -0.284520E-04    0.213985E+03  0.132963E-06 0.100000E-04    0.994465E+00
  45    0.946817E-06    0.212481E+03 -0.445601E-08 0.100000E-04    0.947164E+00
  46    0.270489E-04    0.207234E+03 -0.130524E-06 0.100000E-04    0.995691E+00
  47   -0.298165E-04    0.203575E+03  0.146464E-06 0.100000E-04    0.999831E+00
  48    0.558571E-05    0.197304E+03 -0.283102E-07 0.100000E-04    0.995168E+00
  49   -0.265429E-04    0.195176E+03  0.135995E-06 0.100000E-04    0.995218E+00
  50    0.920133E-05    0.191483E+03 -0.480530E-07 0.100000E-04    0.986420E+00
  51   -0.169964E-04    0.183997E+03  0.923737E-07 0.100000E-04    0.994939E+00
  52   -0.423712E-05    0.174787E+03  0.242416E-07 0.100000E-04    0.986370E+00
  53    0.136891E-04    0.172002E+03 -0.795871E-07 0.100000E-04    0.997278E+00
  54    0.192902E-04    0.167580E+03 -0.115110E-06 0.100000E-04    0.993806E+00
  55    0.208195E-04    0.164819E+03 -0.126317E-06 0.100000E-04    0.999075E+00
  56    0.598937E-05    0.158702E+03 -0.377397E-07 0.100000E-04    0.989442E+00
  57    0.116029E-04    0.154107E+03 -0.752916E-07 0.100000E-04    0.994300E+00
  58   -0.250677E-04    0.151493E+03  0.165472E-06 0.100000E-04    0.998465E+00
  59    0.261668E-05    0.148416E+03 -0.176308E-07 0.100000E-04    0.999068E+00
  60   -0.233614E-04    0.143333E+03  0.162987E-06 0.100000E-04    0.996372E+00
  61    0.303339E-04    0.137192E+03 -0.221105E-06 0.100000E-04    0.998903E+00
  62    0.283962E-04    0.135883E+03 -0.208975E-06 0.100000E-04    0.996673E+00
  63   -0.224999E-04    0.130624E+03  0.172250E-06 0.100000E-04    0.994767E+00
  64    0.298070E-04    0.128181E+03 -0.232538E-06 0.100000E-04    0.994735E+00
  65    0.217228E-04    0.126194E+03 -0.172138E-06 0.100000E-04    0.997151E+00
  66   -0.178574E-04    0.125482E+03  0.142310E-06 0.100000E-04    0.990318E+00
  67   -0.876879E-05    0.119790E+03  0.732014E-07 0.100000E-04    0.989387E+00
  68    0.933062E-05    0.118093E+03 -0.790108E-07 0.100000E-04    0.999866E+00
  69   -0.640883E-05    0.117059E+03  0.547485E-07 0.100000E-04    0.998425E+00
  70    0.279137E-04    0.110869E+03 -0.251772E-06 0.100000E-04    0.994276E+00
  71   -0.624827E-05    0.107669E+03  0.580321E-07 0.100000E-04    0.997394E+00
  72   -0.636020E-04    0.104679E+03  0.607588E-06 0.100000E-04    0.998286E+00
  73   -0.290450E-04    0.103093E+03  0.281737E-06 0.100000E-04    0.998007E+00
  74    0.276937E-04    0.997453E+02 -0.277645E-06 0.100000E-04    0.995552E+00
  75   -0.784922E-04    0.957981E+02  0.819350E-06 0.100000E-04    0.997638E+00
  76   -0.100329E-04    0.945507E+02  0.106112E-06 0.100000E-04    0.948232E+00
  77   -0.532658E-04    0.932659E+02  0.571118E-06 0.100000E-04    0.995282E+00
  78    0.618305E-05    0.906051E+02 -0.682417E-07 0.100000E-04    0.950103E+00
  79   -0.867226E-05    0.895785E+02  0.968119E-07 0.100000E-04    0.987567E+00
  80   -0.221558E-04    0.850695E+02  0.260444E-06 0.100000E-04    0.996885E+00
  81   -0.234533E-04    0.809070E+02  0.289879E-06 0.100000E-04    0.998317E+00
  82   -0.625138E-05    0.798734E+02  0.782661E-07 0.100000E-04    0.961828E+00
  83    0.160726E-04    0.782599E+02 -0.205375E-06 0.100000E-04    0.990884E+00
  84   -0.447790E-04    0.728418E+02  0.614744E-06 0.100000E-04    0.998522E+00
  85   -0.420863E-04    0.723438E+02  0.581754E-06 0.100000E-04    0.994215E+00
  86    0.877310E-05    0.682666E+02 -0.128512E-06 0.100000E-04    0.976396E+00
  87    0.438663E-04    0.662246E+02 -0.662387E-06 0.100000E-04    0.998596E+00
  88    0.731571E-05    0.630851E+02 -0.115966E-06 0.100000E-04    0.997645E+00
  89    0.357358E-04    0.599773E+02 -0.595822E-06 0.100000E-04    0.978565E+00
  90    0.556222E-04    0.596896E+02 -0.931858E-06 0.100000E-04    0.990406E+00
  91   -0.124538E-04    0.590693E+02  0.210834E-06 0.100000E-04    0.976830E+00
  92    0.622118E-04    0.560478E+02 -0.110998E-05 0.100000E-04    0.997410E+00
  93   -0.215101E-04    0.526989E+02  0.408169E-06 0.100000E-04    0.982897E+00
  94    0.512144E-04    0.523076E+02 -0.979101E-06 0.100000E-04    0.999966E+00
  95    0.198559E-04    0.500462E+02 -0.396752E-06 0.100000E-04    0.982658E+00
  96   -0.440713E-05    0.474111E+02  0.929556E-07 0.100000E-04    0.987005E+00
  97   -0.430318E-04    0.428695E+02  0.100379E-05 0.100000E-04    0.996107E+00
  98   -0.476287E-04    0.404593E+02  0.117720E-05 0.100000E-04    0.997915E+00
  99   -0.124692E-03    0.375358E+02  0.332194E-05 0.100000E-04    0.998007E+00
 100   -0.933615E-04    0.362461E+02  0.257576E-05 0.100000E-04    0.998940E+00
 101    0.241531E-04    0.342868E+02 -0.704443E-06 0.100000E-04    0.995299E+00
 102   -0.102211E-03    0.288035E+02  0.354854E-05 0.100000E-04    0.998998E+00
 103   -0.286446E-04    0.286185E+02  0.100091E-05 0.100000E-04    0.988703E+00
 104   -0.983441E-04    0.272720E+02  0.360604E-05 0.100000E-04    0.998452E+00
 105   -0.617302E-04    0.230369E+02  0.267962E-05 0.100000E-04    0.994556E+00
 106   -0.221054E-04    0.212064E+02  0.104239E-05 0.100000E-04    0.975775E+00
 107    0.101341E-03    0.205240E+02 -0.493768E-05 0.100000E-04    0.996138E+00
 108    0.482385E-05    0.167987E+02 -0.287156E-06 0.100000E-04    0.992924E+00
 109   -0.711905E-04    0.138021E+02  0.515794E-05 0.100000E-04    0.994486E+00
 110   -0.821062E-02    0.122421E+02  0.100000E-04 0.100000E-04    0.442212E+00
 111   -0.271361E-02    0.993254E+01  0.100000E-04 0.100000E-04    0.685069E+00
 112   -0.892437E-02    0.876019E+01  0.128891E-04 0.128891E-04    0.154045E+00
 113   -0.240765E-01    0.694443E+01  0.181120E-04 0.181120E-04    0.224918E+00
 114   -0.700369E+00    0.408869E+01 -0.400000E-03 0.400000E-03    0.763901E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1665432485    

 Beginning of optimization cycle  359.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3486031129
 potential> RMS force:                                               0.0657969166   |gradient|=.7025188272    
 Eigenvalues of the Hessian matrix:
   735.29478    673.83562    627.32734    603.88141    587.97270    572.74723 
   567.04821    483.70168    464.34493    461.10445    441.44482    429.45293 
   421.94515    408.18364    397.23960    388.78115    368.13792    361.48887 
   350.61987    335.68083    326.33624    321.43170    320.29482    311.97983 
   303.56607    288.86437    278.63637    270.89490    267.14054    264.42343 
   260.04912    253.94010    242.13530    238.62821    234.70135    228.37579 
   219.55901    213.99237    212.48749    207.23087    203.57525    197.29629 
   195.17200    191.48132    183.98664    174.77702    172.00702    167.58180 
   164.81140    158.69091    154.11166    151.49863    148.40686    143.33555 
   137.19525    135.88518    130.62240    128.18586    126.19751    125.47815 
   119.79157    118.09390    117.06072    110.86350    107.66213    104.67673 
   103.09267     99.74425     95.79577     94.53869     93.27752     90.60915 
    89.57304     85.07242     80.90673     79.87558     78.25872     72.84415 
    72.34851     68.26596     66.21262     63.07998     59.97361     59.68631 
    59.06887     56.04804     52.69619     52.30818     50.04523     47.40593 
    42.86941     40.46189     37.53990     36.24892     34.27459     28.80319 
    28.61721     27.26408     23.03887     21.20001     20.52808     16.79803 
    13.80260     12.24190      9.93400      8.75490      6.93685      4.08346 
overlap for current and previous eigenvector    109 is         0.9999997162
overlap for current and previous eigenvector    110 is         0.9999995683
overlap for current and previous eigenvector    111 is         0.9999992609
overlap for current and previous eigenvector    112 is         0.9999945944
overlap for current and previous eigenvector    113 is         0.9999951103
overlap for current and previous eigenvector    114 is         0.9999997251
J1,K1,R1,R2,RAT=   7   7   -0.7052011156E-02     2.006879621        0.9929479888    
FOB,PFOB,DIAG,PSTEP=   -0.5153176641E-05   -0.5117087771E-05     735.2947844        0.6959832961E-08
J1,K1,R1,R2,RAT=   8   8    0.2000155522E-02     1.997975269        0.9979752693    
FOB,PFOB,DIAG,PSTEP=   -0.5355975243E-05   -0.5366709629E-05     673.8356227        0.7964517447E-08
J1,K1,R1,R2,RAT=   9   9   -0.1860038640E-01     2.018560714        0.9813996136    
FOB,PFOB,DIAG,PSTEP=   -0.5882243084E-06   -0.5774826941E-06     627.3273447        0.9205626920E-09
J1,K1,R1,R2,RAT=  10  10   -0.1957930941E-01     2.019614636        0.9804206906    
FOB,PFOB,DIAG,PSTEP=    0.2225330623E-05    0.2182597624E-05     603.8814057       -0.3614218044E-08
J1,K1,R1,R2,RAT=  11  11   -0.5247155033E-02     2.005280277        0.9947528450    
FOB,PFOB,DIAG,PSTEP=   -0.1587427302E-05   -0.1579141439E-05     587.9727024        0.2685694899E-08
J1,K1,R1,R2,RAT= 109 109   -0.2964109764E-03     2.000227084        0.9997035890    
FOB,PFOB,DIAG,PSTEP=   -0.7121158288E-04   -0.7119048051E-04     13.80259850        0.5157938074E-05
J1,K1,R1,R2,RAT= 110 110   -0.5710020032         134.7106524        0.4289979968    
FOB,PFOB,DIAG,PSTEP=   -0.8280523443E-02   -0.8210621940E-02     12.24190151        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3136564091         54.31900852        0.6863435909    
FOB,PFOB,DIAG,PSTEP=   -0.2682446528E-02   -0.2713605163E-02     9.934002548        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6801232102         158.8531403        0.3198767898    
FOB,PFOB,DIAG,PSTEP=   -0.9001113550E-02   -0.8924366343E-02     8.754904217        0.1288912951E-04
J1,K1,R1,R2,RAT= 113 113   -0.9386660436         384.1999953        0.6133395645E-01
FOB,PFOB,DIAG,PSTEP=   -0.2419447511E-01   -0.2407654080E-01     6.936851068        0.1811201267E-04
J1,K1,R1,R2,RAT= 114 114    0.9924131147        -858.5618663        0.7586885284E-02
FOB,PFOB,DIAG,PSTEP=   -0.7019903304       -0.7003693404         4.083455502       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001      0.00001     -0.00003      0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002      0.00002 
     0.00001     -0.00001      0.00001     -0.00003     -0.00001      0.00006 
    -0.00003     -0.00003      0.00008     -0.00001     -0.00005      0.00001 
    -0.00001     -0.00002      0.00002      0.00001      0.00002     -0.00005 
    -0.00004     -0.00001     -0.00004      0.00001      0.00003     -0.00006 
    -0.00001      0.00006     -0.00002      0.00005     -0.00002      0.00000 
     0.00004      0.00005      0.00013     -0.00009      0.00002     -0.00010 
    -0.00003     -0.00010     -0.00006     -0.00002      0.00010      0.00001 
    -0.00007     -0.00828     -0.00268     -0.00900     -0.02419     -0.70199 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4210392121
 Log product of positive Hessian eigenvalues =          519.7029444750
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0834555022
 Unscaled step for mode    7=        0.0000000070
 Unscaled step for mode    8=        0.0000000079
 Unscaled step for mode    9=        0.0000000009
 Unscaled step for mode   10=       -0.0000000037
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000059
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000007
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000143
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000411
 Unscaled step for mode   20=       -0.0000000168
 Unscaled step for mode   21=       -0.0000000170
 Unscaled step for mode   22=        0.0000000218
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000077
 Unscaled step for mode   25=        0.0000000605
 Unscaled step for mode   26=        0.0000001019
 Unscaled step for mode   27=        0.0000000525
 Unscaled step for mode   28=       -0.0000000455
 Unscaled step for mode   29=       -0.0000000479
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000557
 Unscaled step for mode   32=        0.0000000254
 Unscaled step for mode   33=       -0.0000000463
 Unscaled step for mode   34=       -0.0000000457
 Unscaled step for mode   35=       -0.0000000906
 Unscaled step for mode   36=       -0.0000000733
 Unscaled step for mode   37=        0.0000000746
 Unscaled step for mode   38=       -0.0000000019
 Unscaled step for mode   39=        0.0000000835
 Unscaled step for mode   40=        0.0000000661
 Unscaled step for mode   41=        0.0000001767
 Unscaled step for mode   42=        0.0000000605
 Unscaled step for mode   43=        0.0000000738
 Unscaled step for mode   44=        0.0000001334
 Unscaled step for mode   45=       -0.0000000049
 Unscaled step for mode   46=       -0.0000001310
 Unscaled step for mode   47=        0.0000001462
 Unscaled step for mode   48=       -0.0000000285
 Unscaled step for mode   49=        0.0000001360
 Unscaled step for mode   50=       -0.0000000488
 Unscaled step for mode   51=        0.0000000923
 Unscaled step for mode   52=        0.0000000244
 Unscaled step for mode   53=       -0.0000000798
 Unscaled step for mode   54=       -0.0000001153
 Unscaled step for mode   55=       -0.0000001264
 Unscaled step for mode   56=       -0.0000000380
 Unscaled step for mode   57=       -0.0000000758
 Unscaled step for mode   58=        0.0000001657
 Unscaled step for mode   59=       -0.0000000183
 Unscaled step for mode   60=        0.0000001631
 Unscaled step for mode   61=        0.0000002228
 Unscaled step for mode   62=        0.0000002088
 Unscaled step for mode   63=       -0.0000001731
 Unscaled step for mode   64=        0.0000002337
 Unscaled step for mode   65=        0.0000001736
 Unscaled step for mode   66=       -0.0000001419
 Unscaled step for mode   67=       -0.0000000732
 Unscaled step for mode   68=        0.0000000792
 Unscaled step for mode   69=       -0.0000000554
 Unscaled step for mode   70=        0.0000002514
 Unscaled step for mode   71=        0.0000000582
 Unscaled step for mode   72=       -0.0000006109
 Unscaled step for mode   73=        0.0000002822
 Unscaled step for mode   74=        0.0000002781
 Unscaled step for mode   75=       -0.0000008210
 Unscaled step for mode   76=        0.0000001124
 Unscaled step for mode   77=        0.0000005688
 Unscaled step for mode   78=       -0.0000000684
 Unscaled step for mode   79=        0.0000000972
 Unscaled step for mode   80=        0.0000002600
 Unscaled step for mode   81=       -0.0000002907
 Unscaled step for mode   82=       -0.0000000789
 Unscaled step for mode   83=       -0.0000002038
 Unscaled step for mode   84=        0.0000006194
 Unscaled step for mode   85=        0.0000005834
 Unscaled step for mode   86=        0.0000001314
 Unscaled step for mode   87=        0.0000006634
 Unscaled step for mode   88=       -0.0000001177
 Unscaled step for mode   89=       -0.0000005792
 Unscaled step for mode   90=        0.0000009462
 Unscaled step for mode   91=        0.0000002183
 Unscaled step for mode   92=       -0.0000011075
 Unscaled step for mode   93=        0.0000004050
 Unscaled step for mode   94=       -0.0000009843
 Unscaled step for mode   95=        0.0000003990
 Unscaled step for mode   96=       -0.0000000882
 Unscaled step for mode   97=       -0.0000010122
 Unscaled step for mode   98=       -0.0000011835
 Unscaled step for mode   99=       -0.0000033331
 Unscaled step for mode  100=        0.0000025686
 Unscaled step for mode  101=       -0.0000007199
 Unscaled step for mode  102=        0.0000035613
 Unscaled step for mode  103=        0.0000010108
 Unscaled step for mode  104=        0.0000036440
 Unscaled step for mode  105=        0.0000026849
 Unscaled step for mode  106=        0.0000011212
 Unscaled step for mode  107=       -0.0000048858
 Unscaled step for mode  108=       -0.0000003392
 Unscaled step for mode  109=        0.0000051593
 Unscaled step for mode  110=        0.0006764080
 Unscaled step for mode  111=        0.0002700267
 Unscaled step for mode  112=        0.0010281214
 Unscaled step for mode  113=        0.0034877757
 Unscaled step for mode  114=       -0.1671101096
 Largest modulus ratio of non-zero e/values=           180.0668047    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.446258E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.130592E-14    0.100704E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.640073E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.390313E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.420423E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.535677E-15    0.973946E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.515318E-05    0.735295E+03  0.700831E-08 0.100000E-04    0.992948E+00
   8   -0.535598E-05    0.673836E+03  0.794849E-08 0.100000E-04    0.997975E+00
   9   -0.588224E-06    0.627327E+03  0.937667E-09 0.100000E-04    0.981400E+00
  10    0.222533E-05    0.603881E+03 -0.368505E-08 0.100000E-04    0.980421E+00
  11   -0.158743E-05    0.587973E+03  0.269983E-08 0.100000E-04    0.994753E+00
  12   -0.336151E-05    0.572747E+03  0.586911E-08 0.100000E-04    0.997282E+00
  13   -0.358118E-05    0.567048E+03  0.631548E-08 0.100000E-04    0.993022E+00
  14   -0.353999E-06    0.483702E+03  0.731854E-09 0.100000E-04    0.939584E+00
  15    0.185968E-05    0.464345E+03 -0.400495E-08 0.100000E-04    0.990209E+00
  16    0.659645E-05    0.461104E+03 -0.143058E-07 0.100000E-04    0.994460E+00
  17    0.461391E-05    0.441445E+03 -0.104518E-07 0.100000E-04    0.992272E+00
  18    0.496857E-05    0.429453E+03 -0.115695E-07 0.100000E-04    0.998710E+00
  19   -0.173495E-04    0.421945E+03  0.411180E-07 0.100000E-04    0.996549E+00
  20    0.686621E-05    0.408184E+03 -0.168214E-07 0.100000E-04    0.999373E+00
  21    0.676651E-05    0.397240E+03 -0.170338E-07 0.100000E-04    0.999646E+00
  22   -0.848917E-05    0.388781E+03  0.218353E-07 0.100000E-04    0.993562E+00
  23    0.818019E-06    0.368138E+03 -0.222205E-08 0.100000E-04    0.972716E+00
  24   -0.279194E-05    0.361489E+03  0.772345E-08 0.100000E-04    0.985590E+00
  25   -0.212008E-04    0.350620E+03  0.604665E-07 0.100000E-04    0.998005E+00
  26   -0.342054E-04    0.335681E+03  0.101899E-06 0.100000E-04    0.997813E+00
  27   -0.171239E-04    0.326336E+03  0.524732E-07 0.100000E-04    0.999405E+00
  28    0.146140E-04    0.321432E+03 -0.454652E-07 0.100000E-04    0.999339E+00
  29    0.153327E-04    0.320295E+03 -0.478707E-07 0.100000E-04    0.983020E+00
  30   -0.250023E-04    0.311980E+03  0.801408E-07 0.100000E-04    0.997757E+00
  31   -0.169233E-04    0.303566E+03  0.557483E-07 0.100000E-04    0.997738E+00
  32   -0.734587E-05    0.288864E+03  0.254302E-07 0.100000E-04    0.993322E+00
  33    0.128904E-04    0.278636E+03 -0.462624E-07 0.100000E-04    0.993230E+00
  34    0.123867E-04    0.270895E+03 -0.457251E-07 0.100000E-04    0.991651E+00
  35    0.241966E-04    0.267141E+03 -0.905764E-07 0.100000E-04    0.998519E+00
  36    0.193926E-04    0.264423E+03 -0.733392E-07 0.100000E-04    0.997642E+00
  37   -0.193918E-04    0.260049E+03  0.745697E-07 0.100000E-04    0.997356E+00
  38    0.485001E-06    0.253940E+03 -0.190990E-08 0.100000E-04    0.866121E+00
  39   -0.202129E-04    0.242135E+03  0.834779E-07 0.100000E-04    0.997419E+00
  40   -0.157627E-04    0.238628E+03  0.660554E-07 0.100000E-04    0.988186E+00
  41   -0.414680E-04    0.234701E+03  0.176684E-06 0.100000E-04    0.997967E+00
  42   -0.138087E-04    0.228376E+03  0.604647E-07 0.100000E-04    0.996814E+00
  43   -0.162142E-04    0.219559E+03  0.738489E-07 0.100000E-04    0.998315E+00
  44   -0.285365E-04    0.213992E+03  0.133353E-06 0.100000E-04    0.997032E+00
  45    0.104092E-05    0.212487E+03 -0.489873E-08 0.100000E-04    0.900615E+00
  46    0.271405E-04    0.207231E+03 -0.130967E-06 0.100000E-04    0.996616E+00
  47   -0.297654E-04    0.203575E+03  0.146213E-06 0.100000E-04    0.998284E+00
  48    0.563002E-05    0.197296E+03 -0.285359E-07 0.100000E-04    0.992067E+00
  49   -0.265465E-04    0.195172E+03  0.136016E-06 0.100000E-04    0.999865E+00
  50    0.935308E-05    0.191481E+03 -0.488459E-07 0.100000E-04    0.983508E+00
  51   -0.169863E-04    0.183987E+03  0.923234E-07 0.100000E-04    0.999402E+00
  52   -0.425704E-05    0.174777E+03  0.243570E-07 0.100000E-04    0.995298E+00
  53    0.137329E-04    0.172007E+03 -0.798390E-07 0.100000E-04    0.996805E+00
  54    0.193228E-04    0.167582E+03 -0.115304E-06 0.100000E-04    0.998307E+00
  55    0.208362E-04    0.164811E+03 -0.126425E-06 0.100000E-04    0.999194E+00
  56    0.603293E-05    0.158691E+03 -0.380169E-07 0.100000E-04    0.992726E+00
  57    0.116745E-04    0.154112E+03 -0.757538E-07 0.100000E-04    0.993828E+00
  58   -0.251069E-04    0.151499E+03  0.165724E-06 0.100000E-04    0.998438E+00
  59    0.271213E-05    0.148407E+03 -0.182750E-07 0.100000E-04    0.963520E+00
  60   -0.233739E-04    0.143336E+03  0.163071E-06 0.100000E-04    0.999466E+00
  61   -0.305631E-04    0.137195E+03  0.222771E-06 0.100000E-04    0.992443E+00
  62   -0.283684E-04    0.135885E+03  0.208767E-06 0.100000E-04    0.998993E+00
  63    0.226044E-04    0.130622E+03 -0.173052E-06 0.100000E-04    0.995356E+00
  64   -0.299537E-04    0.128186E+03  0.233674E-06 0.100000E-04    0.995079E+00
  65   -0.219076E-04    0.126198E+03  0.173598E-06 0.100000E-04    0.991492E+00
  66    0.178001E-04    0.125478E+03 -0.141858E-06 0.100000E-04    0.996791E+00
  67    0.877067E-05    0.119792E+03 -0.732161E-07 0.100000E-04    0.999785E+00
  68   -0.934748E-05    0.118094E+03  0.791529E-07 0.100000E-04    0.998194E+00
  69    0.648354E-05    0.117061E+03 -0.553862E-07 0.100000E-04    0.988343E+00
  70   -0.278697E-04    0.110863E+03  0.251388E-06 0.100000E-04    0.998424E+00
  71   -0.626128E-05    0.107662E+03  0.581568E-07 0.100000E-04    0.997918E+00
  72    0.639464E-04    0.104677E+03 -0.610894E-06 0.100000E-04    0.994584E+00
  73   -0.290921E-04    0.103093E+03  0.282194E-06 0.100000E-04    0.998377E+00
  74   -0.277394E-04    0.997443E+02  0.278106E-06 0.100000E-04    0.998350E+00
  75    0.786509E-04    0.957958E+02 -0.821027E-06 0.100000E-04    0.997978E+00
  76   -0.106245E-04    0.945387E+02  0.112382E-06 0.100000E-04    0.941033E+00
  77   -0.530549E-04    0.932775E+02  0.568785E-06 0.100000E-04    0.995790E+00
  78    0.619555E-05    0.906092E+02 -0.683766E-07 0.100000E-04    0.997978E+00
  79   -0.870848E-05    0.895730E+02  0.972221E-07 0.100000E-04    0.995823E+00
  80   -0.221147E-04    0.850724E+02  0.259951E-06 0.100000E-04    0.998075E+00
  81    0.235167E-04    0.809067E+02 -0.290664E-06 0.100000E-04    0.997296E+00
  82    0.629918E-05    0.798756E+02 -0.788624E-07 0.100000E-04    0.992354E+00
  83    0.159480E-04    0.782587E+02 -0.203786E-06 0.100000E-04    0.992248E+00
  84   -0.451189E-04    0.728441E+02  0.619389E-06 0.100000E-04    0.992410E+00
  85   -0.422059E-04    0.723485E+02  0.583369E-06 0.100000E-04    0.997159E+00
  86   -0.896981E-05    0.682660E+02  0.131395E-06 0.100000E-04    0.977578E+00
  87   -0.439247E-04    0.662126E+02  0.663389E-06 0.100000E-04    0.998669E+00
  88    0.742177E-05    0.630800E+02 -0.117656E-06 0.100000E-04    0.985502E+00
  89    0.347393E-04    0.599736E+02 -0.579243E-06 0.100000E-04    0.972113E+00
  90   -0.564741E-04    0.596863E+02  0.946182E-06 0.100000E-04    0.984684E+00
  91   -0.128977E-04    0.590689E+02  0.218350E-06 0.100000E-04    0.964362E+00
  92    0.620722E-04    0.560480E+02 -0.110748E-05 0.100000E-04    0.997747E+00
  93   -0.213413E-04    0.526962E+02  0.404987E-06 0.100000E-04    0.992151E+00
  94    0.514892E-04    0.523082E+02 -0.984342E-06 0.100000E-04    0.994634E+00
  95   -0.199675E-04    0.500452E+02  0.398989E-06 0.100000E-04    0.994380E+00
  96    0.418225E-05    0.474059E+02 -0.882221E-07 0.100000E-04    0.948968E+00
  97    0.433916E-04    0.428694E+02 -0.101218E-05 0.100000E-04    0.991638E+00
  98    0.478878E-04    0.404619E+02 -0.118353E-05 0.100000E-04    0.994562E+00
  99    0.125126E-03    0.375399E+02 -0.333314E-05 0.100000E-04    0.996520E+00
 100   -0.931108E-04    0.362489E+02  0.256865E-05 0.100000E-04    0.997161E+00
 101    0.246747E-04    0.342746E+02 -0.719913E-06 0.100000E-04    0.978394E+00
 102   -0.102577E-03    0.288032E+02  0.356131E-05 0.100000E-04    0.996415E+00
 103   -0.289266E-04    0.286172E+02  0.101081E-05 0.100000E-04    0.990156E+00
 104   -0.993500E-04    0.272641E+02  0.364399E-05 0.100000E-04    0.989769E+00
 105   -0.618565E-04    0.230389E+02  0.268488E-05 0.100000E-04    0.997954E+00
 106   -0.237693E-04    0.212000E+02  0.112119E-05 0.100000E-04    0.924704E+00
 107    0.100295E-03    0.205281E+02 -0.488575E-05 0.100000E-04    0.989285E+00
 108    0.569839E-05    0.167980E+02 -0.339229E-06 0.100000E-04    0.818699E+00
 109   -0.712116E-04    0.138026E+02  0.515929E-05 0.100000E-04    0.999704E+00
 110   -0.828052E-02    0.122419E+02  0.100000E-04 0.100000E-04    0.428998E+00
 111   -0.268245E-02    0.993400E+01  0.100000E-04 0.100000E-04    0.686344E+00
 112   -0.900111E-02    0.875490E+01  0.116118E-04 0.116118E-04    0.319877E+00
 113   -0.241945E-01    0.693685E+01  0.197421E-04 0.197421E-04    0.613340E-01
 114   -0.701990E+00    0.408346E+01 -0.400000E-03 0.400000E-03    0.758689E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1671101096    

 Beginning of optimization cycle  360.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3483226806
 potential> RMS force:                                               0.0659489384   |gradient|=.7041419757    
 Eigenvalues of the Hessian matrix:
   735.35820    673.84369    627.33974    603.87090    587.96284    572.79015 
   567.05127    483.72788    464.32166    461.09813    441.44691    429.44583 
   421.94841    408.19029    397.23453    388.77894    368.14638    361.48046 
   350.61252    335.66653    326.35084    321.43226    320.29318    311.95857 
   303.55212    288.87412    278.63169    270.90089    267.14898    264.42931 
   260.06591    253.94041    242.13094    238.64127    234.68915    228.37064 
   219.53813    213.99996    212.49406    207.22772    203.57542    197.28843 
   195.16841    191.47965    183.97681    174.76705    172.01216    167.58342 
   164.80329    158.67986    154.11680    151.50445    148.39781    143.33774 
   137.19857    135.88702    130.62085    128.19049    126.20104    125.47405 
   119.79327    118.09468    117.06194    110.85804    107.65495    104.67391 
   103.09255     99.74320     95.79352     94.52655     93.28916     90.61319 
    89.56757     85.07537     80.90641     79.87779     78.25754     72.84651 
    72.35315     68.26521     66.20062     63.07472     59.97009     59.68284 
    59.06831     56.04824     52.69343     52.30877     50.04431     47.40067 
    42.86935     40.46450     37.54399     36.25154     34.26236     28.80282 
    28.61591     27.25613     23.04087     21.19365     20.53209     16.79731 
    13.80307     12.24175      9.93547      8.74964      6.92921      4.07821 
overlap for current and previous eigenvector    109 is         0.9999997144
overlap for current and previous eigenvector    110 is         0.9999995674
overlap for current and previous eigenvector    111 is         0.9999992676
overlap for current and previous eigenvector    112 is         0.9999946128
overlap for current and previous eigenvector    113 is         0.9999951206
overlap for current and previous eigenvector    114 is         0.9999997249
J1,K1,R1,R2,RAT=   7   7   -0.5467454160E-02     2.005294986        0.9945325458    
FOB,PFOB,DIAG,PSTEP=   -0.5181353828E-05   -0.5153176641E-05     735.3581973        0.7008313878E-08
J1,K1,R1,R2,RAT=   8   8   -0.8615413639E-02     2.008591459        0.9913845864    
FOB,PFOB,DIAG,PSTEP=   -0.5402119738E-05   -0.5355975243E-05     673.8436937        0.7948489308E-08
J1,K1,R1,R2,RAT=   9   9   -0.1404066723E-01     2.014001166        0.9859593328    
FOB,PFOB,DIAG,PSTEP=   -0.5964835333E-06   -0.5882243084E-06     627.3397351        0.9376672535E-09
J1,K1,R1,R2,RAT=  10  10    0.1071687847E-01     1.989317928        0.9892831215    
FOB,PFOB,DIAG,PSTEP=    0.2201482440E-05    0.2225330623E-05     603.8708964       -0.3685045776E-08
J1,K1,R1,R2,RAT=  11  11   -0.7233637142E-02     2.007267190        0.9927663629    
FOB,PFOB,DIAG,PSTEP=   -0.1598909982E-05   -0.1587427302E-05     587.9628385        0.2699831634E-08
J1,K1,R1,R2,RAT= 109 109    0.5384789401E-02     1.994546219        0.9945462191    
FOB,PFOB,DIAG,PSTEP=   -0.7082811027E-04   -0.7121158288E-04     13.80307465        0.5159288150E-05
J1,K1,R1,R2,RAT= 110 110   -0.5618268734         135.8451682        0.4381731266    
FOB,PFOB,DIAG,PSTEP=   -0.8349300878E-02   -0.8280523443E-02     12.24174886        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3196491921         53.67770375        0.6803508079    
FOB,PFOB,DIAG,PSTEP=   -0.2650687865E-02   -0.2682446528E-02     9.935474173        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8732579432         178.0617283        0.1267420568    
FOB,PFOB,DIAG,PSTEP=   -0.9089835958E-02   -0.9001113550E-02     8.749639674        0.1161182839E-04
J1,K1,R1,R2,RAT= 113 113   -0.8037674222         354.5314223        0.1962325778    
FOB,PFOB,DIAG,PSTEP=   -0.2430442824E-01   -0.2419447511E-01     6.929214001        0.1974209382E-04
J1,K1,R1,R2,RAT= 114 114    0.9923129437        -861.6516473        0.7687056269E-02
FOB,PFOB,DIAG,PSTEP=   -0.7036090756       -0.7019903304         4.078212496       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001      0.00001     -0.00003      0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002      0.00002 
     0.00001     -0.00001      0.00001     -0.00003     -0.00001      0.00006 
    -0.00003     -0.00003      0.00008     -0.00001     -0.00005     -0.00001 
    -0.00001     -0.00002      0.00002      0.00001      0.00002     -0.00005 
    -0.00004     -0.00001     -0.00004      0.00001     -0.00003      0.00006 
    -0.00001      0.00006     -0.00002      0.00005     -0.00002      0.00000 
     0.00004      0.00005      0.00012     -0.00009      0.00002     -0.00010 
    -0.00003     -0.00010     -0.00006     -0.00002      0.00010      0.00001 
    -0.00007     -0.00835     -0.00265     -0.00909     -0.02430     -0.70361 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4208622829
 Log product of positive Hessian eigenvalues =          519.6989247118
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0782124956
 Unscaled step for mode    7=        0.0000000070
 Unscaled step for mode    8=        0.0000000080
 Unscaled step for mode    9=        0.0000000010
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000060
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=        0.0000000006
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000143
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000412
 Unscaled step for mode   20=       -0.0000000167
 Unscaled step for mode   21=       -0.0000000170
 Unscaled step for mode   22=        0.0000000219
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000078
 Unscaled step for mode   25=        0.0000000606
 Unscaled step for mode   26=        0.0000001020
 Unscaled step for mode   27=        0.0000000526
 Unscaled step for mode   28=       -0.0000000454
 Unscaled step for mode   29=       -0.0000000484
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000562
 Unscaled step for mode   32=        0.0000000255
 Unscaled step for mode   33=       -0.0000000462
 Unscaled step for mode   34=       -0.0000000459
 Unscaled step for mode   35=       -0.0000000907
 Unscaled step for mode   36=       -0.0000000736
 Unscaled step for mode   37=        0.0000000747
 Unscaled step for mode   38=       -0.0000000021
 Unscaled step for mode   39=        0.0000000836
 Unscaled step for mode   40=        0.0000000667
 Unscaled step for mode   41=        0.0000001772
 Unscaled step for mode   42=        0.0000000608
 Unscaled step for mode   43=        0.0000000744
 Unscaled step for mode   44=        0.0000001341
 Unscaled step for mode   45=       -0.0000000047
 Unscaled step for mode   46=       -0.0000001315
 Unscaled step for mode   47=        0.0000001462
 Unscaled step for mode   48=       -0.0000000287
 Unscaled step for mode   49=        0.0000001367
 Unscaled step for mode   50=       -0.0000000482
 Unscaled step for mode   51=        0.0000000928
 Unscaled step for mode   52=        0.0000000247
 Unscaled step for mode   53=       -0.0000000800
 Unscaled step for mode   54=       -0.0000001160
 Unscaled step for mode   55=       -0.0000001265
 Unscaled step for mode   56=       -0.0000000376
 Unscaled step for mode   57=       -0.0000000762
 Unscaled step for mode   58=        0.0000001660
 Unscaled step for mode   59=       -0.0000000183
 Unscaled step for mode   60=        0.0000001636
 Unscaled step for mode   61=        0.0000002230
 Unscaled step for mode   62=        0.0000002081
 Unscaled step for mode   63=       -0.0000001721
 Unscaled step for mode   64=        0.0000002349
 Unscaled step for mode   65=        0.0000001740
 Unscaled step for mode   66=       -0.0000001405
 Unscaled step for mode   67=       -0.0000000740
 Unscaled step for mode   68=        0.0000000792
 Unscaled step for mode   69=       -0.0000000553
 Unscaled step for mode   70=        0.0000002528
 Unscaled step for mode   71=        0.0000000583
 Unscaled step for mode   72=       -0.0000006120
 Unscaled step for mode   73=        0.0000002827
 Unscaled step for mode   74=        0.0000002769
 Unscaled step for mode   75=       -0.0000008229
 Unscaled step for mode   76=        0.0000001176
 Unscaled step for mode   77=        0.0000005661
 Unscaled step for mode   78=        0.0000000716
 Unscaled step for mode   79=        0.0000000960
 Unscaled step for mode   80=        0.0000002607
 Unscaled step for mode   81=       -0.0000002912
 Unscaled step for mode   82=       -0.0000000817
 Unscaled step for mode   83=       -0.0000002056
 Unscaled step for mode   84=        0.0000006203
 Unscaled step for mode   85=        0.0000005800
 Unscaled step for mode   86=        0.0000001343
 Unscaled step for mode   87=        0.0000006644
 Unscaled step for mode   88=       -0.0000001179
 Unscaled step for mode   89=        0.0000005659
 Unscaled step for mode   90=       -0.0000009546
 Unscaled step for mode   91=        0.0000002234
 Unscaled step for mode   92=       -0.0000011103
 Unscaled step for mode   93=        0.0000003978
 Unscaled step for mode   94=       -0.0000009844
 Unscaled step for mode   95=        0.0000003921
 Unscaled step for mode   96=       -0.0000000869
 Unscaled step for mode   97=       -0.0000010083
 Unscaled step for mode   98=       -0.0000011859
 Unscaled step for mode   99=       -0.0000033268
 Unscaled step for mode  100=        0.0000025661
 Unscaled step for mode  101=       -0.0000007169
 Unscaled step for mode  102=        0.0000035579
 Unscaled step for mode  103=        0.0000010219
 Unscaled step for mode  104=        0.0000036399
 Unscaled step for mode  105=        0.0000026990
 Unscaled step for mode  106=        0.0000010979
 Unscaled step for mode  107=       -0.0000049030
 Unscaled step for mode  108=       -0.0000003369
 Unscaled step for mode  109=        0.0000051313
 Unscaled step for mode  110=        0.0006820347
 Unscaled step for mode  111=        0.0002667903
 Unscaled step for mode  112=        0.0010388801
 Unscaled step for mode  113=        0.0035074872
 Unscaled step for mode  114=       -0.1676779884
 Largest modulus ratio of non-zero e/values=           180.3138503    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.307697E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.205597E-14    0.100703E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.593330E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.500567E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.111109E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.837736E-15    0.973948E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.518135E-05    0.735358E+03  0.704603E-08 0.100000E-04    0.994533E+00
   8   -0.540212E-05    0.673844E+03  0.801687E-08 0.100000E-04    0.991385E+00
   9   -0.596484E-06    0.627340E+03  0.950814E-09 0.100000E-04    0.985959E+00
  10    0.220148E-05    0.603871E+03 -0.364562E-08 0.100000E-04    0.989283E+00
  11   -0.159891E-05    0.587963E+03  0.271941E-08 0.100000E-04    0.992766E+00
  12   -0.341868E-05    0.572790E+03  0.596847E-08 0.100000E-04    0.982996E+00
  13   -0.361306E-05    0.567051E+03  0.637167E-08 0.100000E-04    0.991098E+00
  14   -0.297295E-06    0.483728E+03  0.614591E-09 0.100000E-04    0.839720E+00
  15    0.188980E-05    0.464322E+03 -0.407003E-08 0.100000E-04    0.983800E+00
  16    0.660357E-05    0.461098E+03 -0.143214E-07 0.100000E-04    0.998921E+00
  17    0.459936E-05    0.441447E+03 -0.104188E-07 0.100000E-04    0.996837E+00
  18    0.498737E-05    0.429446E+03 -0.116135E-07 0.100000E-04    0.996216E+00
  19   -0.173747E-04    0.421948E+03  0.411773E-07 0.100000E-04    0.998551E+00
  20    0.683320E-05    0.408190E+03 -0.167402E-07 0.100000E-04    0.995159E+00
  21    0.674488E-05    0.397235E+03 -0.169796E-07 0.100000E-04    0.996802E+00
  22   -0.850725E-05    0.388779E+03  0.218820E-07 0.100000E-04    0.997871E+00
  23    0.845657E-06    0.368146E+03 -0.229707E-08 0.100000E-04    0.966215E+00
  24   -0.281713E-05    0.361480E+03  0.779330E-08 0.100000E-04    0.990979E+00
  25   -0.212570E-04    0.350613E+03  0.606282E-07 0.100000E-04    0.997347E+00
  26   -0.342346E-04    0.335667E+03  0.101990E-06 0.100000E-04    0.999146E+00
  27   -0.171617E-04    0.326351E+03  0.525866E-07 0.100000E-04    0.997794E+00
  28    0.146058E-04    0.321432E+03 -0.454397E-07 0.100000E-04    0.999437E+00
  29    0.155170E-04    0.320293E+03 -0.484463E-07 0.100000E-04    0.987981E+00
  30   -0.250342E-04    0.311959E+03  0.802486E-07 0.100000E-04    0.998723E+00
  31   -0.170491E-04    0.303552E+03  0.561654E-07 0.100000E-04    0.992564E+00
  32   -0.735782E-05    0.288874E+03  0.254707E-07 0.100000E-04    0.998373E+00
  33    0.128807E-04    0.278632E+03 -0.462284E-07 0.100000E-04    0.999248E+00
  34    0.124310E-04    0.270901E+03 -0.458877E-07 0.100000E-04    0.996422E+00
  35    0.242359E-04    0.267149E+03 -0.907207E-07 0.100000E-04    0.998375E+00
  36    0.194504E-04    0.264429E+03 -0.735563E-07 0.100000E-04    0.997017E+00
  37   -0.194372E-04    0.260066E+03  0.747394E-07 0.100000E-04    0.997660E+00
  38    0.532753E-06    0.253940E+03 -0.209795E-08 0.100000E-04    0.901542E+00
  39   -0.202346E-04    0.242131E+03  0.835690E-07 0.100000E-04    0.998926E+00
  40   -0.159077E-04    0.238641E+03  0.666595E-07 0.100000E-04    0.990800E+00
  41   -0.415756E-04    0.234689E+03  0.177152E-06 0.100000E-04    0.997404E+00
  42   -0.138831E-04    0.228371E+03  0.607921E-07 0.100000E-04    0.994608E+00
  43   -0.163297E-04    0.219538E+03  0.743821E-07 0.100000E-04    0.992875E+00
  44   -0.286934E-04    0.214000E+03  0.134081E-06 0.100000E-04    0.994501E+00
  45    0.990966E-06    0.212494E+03 -0.466350E-08 0.100000E-04    0.951950E+00
  46    0.272559E-04    0.207228E+03 -0.131526E-06 0.100000E-04    0.995746E+00
  47   -0.297687E-04    0.203575E+03  0.146230E-06 0.100000E-04    0.999887E+00
  48    0.565621E-05    0.197288E+03 -0.286698E-07 0.100000E-04    0.995347E+00
  49   -0.266719E-04    0.195168E+03  0.136661E-06 0.100000E-04    0.995276E+00
  50    0.922752E-05    0.191480E+03 -0.481906E-07 0.100000E-04    0.986575E+00
  51   -0.170702E-04    0.183977E+03  0.927844E-07 0.100000E-04    0.995060E+00
  52   -0.431408E-05    0.174767E+03  0.246847E-07 0.100000E-04    0.986601E+00
  53    0.137696E-04    0.172012E+03 -0.800499E-07 0.100000E-04    0.997328E+00
  54    0.194407E-04    0.167583E+03 -0.116006E-06 0.100000E-04    0.993902E+00
  55    0.208556E-04    0.164803E+03 -0.126549E-06 0.100000E-04    0.999069E+00
  56    0.597021E-05    0.158680E+03 -0.376243E-07 0.100000E-04    0.989604E+00
  57    0.117400E-04    0.154117E+03 -0.761759E-07 0.100000E-04    0.994394E+00
  58   -0.251450E-04    0.151504E+03  0.165969E-06 0.100000E-04    0.998482E+00
  59    0.271540E-05    0.148398E+03 -0.182981E-07 0.100000E-04    0.998796E+00
  60   -0.234569E-04    0.143338E+03  0.163648E-06 0.100000E-04    0.996448E+00
  61   -0.305958E-04    0.137199E+03  0.223003E-06 0.100000E-04    0.998933E+00
  62   -0.282749E-04    0.135887E+03  0.208077E-06 0.100000E-04    0.996679E+00
  63    0.224858E-04    0.130621E+03 -0.172146E-06 0.100000E-04    0.994752E+00
  64   -0.301089E-04    0.128190E+03  0.234876E-06 0.100000E-04    0.994818E+00
  65   -0.219646E-04    0.126201E+03  0.174045E-06 0.100000E-04    0.997398E+00
  66    0.176288E-04    0.125474E+03 -0.140498E-06 0.100000E-04    0.990377E+00
  67    0.886265E-05    0.119793E+03 -0.739828E-07 0.100000E-04    0.989514E+00
  68   -0.934843E-05    0.118095E+03  0.791605E-07 0.100000E-04    0.999898E+00
  69    0.647405E-05    0.117062E+03 -0.553045E-07 0.100000E-04    0.998515E+00
  70   -0.280270E-04    0.110858E+03  0.252819E-06 0.100000E-04    0.994358E+00
  71   -0.627794E-05    0.107655E+03  0.583154E-07 0.100000E-04    0.997339E+00
  72    0.640574E-04    0.104674E+03 -0.611971E-06 0.100000E-04    0.998264E+00
  73   -0.291479E-04    0.103093E+03  0.282736E-06 0.100000E-04    0.998082E+00
  74   -0.276161E-04    0.997432E+02  0.276872E-06 0.100000E-04    0.995554E+00
  75    0.788288E-04    0.957935E+02 -0.822903E-06 0.100000E-04    0.997738E+00
  76   -0.111120E-04    0.945266E+02  0.117554E-06 0.100000E-04    0.954110E+00
  77   -0.528078E-04    0.932892E+02  0.566066E-06 0.100000E-04    0.995095E+00
  78   -0.648703E-05    0.906132E+02  0.715903E-07 0.100000E-04    0.952955E+00
  79   -0.860285E-05    0.895676E+02  0.960487E-07 0.100000E-04    0.987869E+00
  80   -0.221810E-04    0.850754E+02  0.260722E-06 0.100000E-04    0.997000E+00
  81    0.235569E-04    0.809064E+02 -0.291162E-06 0.100000E-04    0.998290E+00
  82    0.652794E-05    0.798778E+02 -0.817241E-07 0.100000E-04    0.963685E+00
  83    0.160903E-04    0.782575E+02 -0.205607E-06 0.100000E-04    0.991075E+00
  84   -0.451878E-04    0.728465E+02  0.620315E-06 0.100000E-04    0.998473E+00
  85   -0.419629E-04    0.723531E+02  0.579974E-06 0.100000E-04    0.994116E+00
  86   -0.916979E-05    0.682652E+02  0.134326E-06 0.100000E-04    0.977704E+00
  87   -0.439848E-04    0.662006E+02  0.664417E-06 0.100000E-04    0.998632E+00
  88    0.743866E-05    0.630747E+02 -0.117934E-06 0.100000E-04    0.997723E+00
  89   -0.339370E-04    0.599701E+02  0.565898E-06 0.100000E-04    0.976903E+00
  90    0.569703E-04    0.596828E+02 -0.954551E-06 0.100000E-04    0.991213E+00
  91   -0.131965E-04    0.590683E+02  0.223410E-06 0.100000E-04    0.976832E+00
  92    0.622292E-04    0.560482E+02 -0.111028E-05 0.100000E-04    0.997471E+00
  93   -0.209626E-04    0.526934E+02  0.397823E-06 0.100000E-04    0.982257E+00
  94    0.514926E-04    0.523088E+02 -0.984397E-06 0.100000E-04    0.999934E+00
  95   -0.196207E-04    0.500443E+02  0.392067E-06 0.100000E-04    0.982631E+00
  96    0.412020E-05    0.474007E+02 -0.869227E-07 0.100000E-04    0.985161E+00
  97    0.432254E-04    0.428694E+02 -0.100830E-05 0.100000E-04    0.996169E+00
  98    0.479865E-04    0.404645E+02 -0.118589E-05 0.100000E-04    0.997938E+00
  99    0.124903E-03    0.375440E+02 -0.332685E-05 0.100000E-04    0.998004E+00
 100   -0.930264E-04    0.362515E+02  0.256614E-05 0.100000E-04    0.998949E+00
 101    0.245613E-04    0.342624E+02 -0.716859E-06 0.100000E-04    0.995401E+00
 102   -0.102479E-03    0.288028E+02  0.355794E-05 0.100000E-04    0.999041E+00
 103   -0.292421E-04    0.286159E+02  0.102188E-05 0.100000E-04    0.989092E+00
 104   -0.992109E-04    0.272561E+02  0.363995E-05 0.100000E-04    0.998600E+00
 105   -0.621875E-04    0.230409E+02  0.269901E-05 0.100000E-04    0.994651E+00
 106   -0.232681E-04    0.211937E+02  0.109788E-05 0.100000E-04    0.978908E+00
 107    0.100669E-03    0.205321E+02 -0.490300E-05 0.100000E-04    0.996275E+00
 108    0.565963E-05    0.167973E+02 -0.336937E-06 0.100000E-04    0.993199E+00
 109   -0.708281E-04    0.138031E+02  0.513133E-05 0.100000E-04    0.994546E+00
 110   -0.834930E-02    0.122417E+02  0.100000E-04 0.100000E-04    0.438173E+00
 111   -0.265069E-02    0.993547E+01  0.100000E-04 0.100000E-04    0.680351E+00
 112   -0.908984E-02    0.874964E+01  0.126569E-04 0.126569E-04    0.126742E+00
 113   -0.243044E-01    0.692921E+01  0.215189E-04 0.215189E-04    0.196233E+00
 114   -0.703609E+00    0.407821E+01 -0.400000E-03 0.400000E-03    0.768706E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1676779884    

 Beginning of optimization cycle  361.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3480416571
 potential> RMS force:                                               0.0661007107   |gradient|=.7057624610    
 Eigenvalues of the Hessian matrix:
   735.42174    673.85165    627.35232    603.86018    587.95294    572.83312 
   567.05393    483.75404    464.29831    461.09182    441.44899    429.43886 
   421.95157    408.19675    397.22941    388.77657    368.15491    361.47207 
   350.60510    335.65243    326.36557    321.43287    320.29135    311.93733 
   303.53809    288.88386    278.62712    270.90699    267.15740    264.43518 
   260.08285    253.94062    242.12657    238.65440    234.67706    228.36546 
   219.51727    214.00760    212.50065    207.22464    203.57551    197.28050 
   195.16485    191.47804    183.96705    174.75711    172.01731    167.58509 
   164.79514    158.66880    154.12195    151.51026    148.38867    143.33989 
   137.20194    135.88884    130.61926    128.19514    126.20460    125.46982 
   119.79499    118.09548    117.06313    110.85260    107.64780    104.67111 
   103.09243     99.74215     95.79132     94.51429     93.30075     90.61725 
    89.56206     85.07836     80.90611     79.88004     78.25637     72.84889 
    72.35773     68.26444     66.18861     63.06940     59.96677     59.67920 
    59.06774     56.04842     52.69068     52.30932     50.04344     47.39536 
    42.86937     40.46712     37.54806     36.25414     34.25009     28.80247 
    28.61462     27.24821     23.04289     21.18730     20.53608     16.79659 
    13.80356     12.24160      9.93694      8.74457      6.92155      4.07295 
overlap for current and previous eigenvector    109 is        -0.9999997198
overlap for current and previous eigenvector    110 is        -0.9999995706
overlap for current and previous eigenvector    111 is         0.9999992918
overlap for current and previous eigenvector    112 is         0.9999948013
overlap for current and previous eigenvector    113 is         0.9999952761
overlap for current and previous eigenvector    114 is         0.9999997165
J1,K1,R1,R2,RAT=   7   7   -0.6335864508E-02     2.006163055        0.9936641355    
FOB,PFOB,DIAG,PSTEP=   -0.5214185021E-05   -0.5181353828E-05     735.4217414        0.7046027157E-08
J1,K1,R1,R2,RAT=   8   8   -0.7442412140E-02     2.007418801        0.9925575879    
FOB,PFOB,DIAG,PSTEP=   -0.5442325014E-05   -0.5402119738E-05     673.8516490        0.8016873628E-08
J1,K1,R1,R2,RAT=   9   9   -0.9627484563E-01     2.096234728        0.9037251544    
FOB,PFOB,DIAG,PSTEP=   -0.6539110453E-06   -0.5964835333E-06     627.3523192        0.9508142078E-09
J1,K1,R1,R2,RAT=  10  10    0.7082554749E-03     1.999327232        0.9992917445    
FOB,PFOB,DIAG,PSTEP=    0.2199923256E-05    0.2201482440E-05     603.8601817       -0.3645617720E-08
J1,K1,R1,R2,RAT=  11  11    0.1342001354E-01     1.986613671        0.9865799865    
FOB,PFOB,DIAG,PSTEP=   -0.1577452950E-05   -0.1598909982E-05     587.9529359        0.2719406530E-08
J1,K1,R1,R2,RAT= 109 109     2.009755982       -0.9826225391E-02    0.9901737746    
FOB,PFOB,DIAG,PSTEP=    0.7152410769E-04   -0.7082811027E-04     13.80355945        0.5131328496E-05
J1,K1,R1,R2,RAT= 110 110     136.9609529       -0.5523128729        0.4476871271    
FOB,PFOB,DIAG,PSTEP=    0.8416912817E-02   -0.8349300878E-02     12.24160123        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3134448998         53.03674285        0.6865551002    
FOB,PFOB,DIAG,PSTEP=   -0.2619541036E-02   -0.2650687865E-02     9.936939218        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7926798926         165.0484230        0.2073201074    
FOB,PFOB,DIAG,PSTEP=   -0.9177569027E-02   -0.9089835958E-02     8.744568245        0.1265689294E-04
J1,K1,R1,R2,RAT= 113 113   -0.7458926673         327.1022540        0.2541073327    
FOB,PFOB,DIAG,PSTEP=   -0.2441552456E-01   -0.2430442824E-01     6.921554020        0.2151888226E-04
J1,K1,R1,R2,RAT= 114 114    0.9919392903        -864.7498480        0.8060709703E-02
FOB,PFOB,DIAG,PSTEP=   -0.7052251244       -0.7036090756         4.072953014       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
    -0.00002     -0.00001      0.00001      0.00003     -0.00000      0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002      0.00002 
     0.00001     -0.00001      0.00001     -0.00003     -0.00001      0.00006 
    -0.00003     -0.00003      0.00008      0.00001     -0.00005      0.00001 
    -0.00001     -0.00002      0.00002      0.00001      0.00002     -0.00005 
    -0.00004     -0.00001     -0.00004      0.00001     -0.00003      0.00006 
    -0.00001      0.00006      0.00002     -0.00005     -0.00002      0.00000 
     0.00004      0.00005     -0.00012     -0.00009      0.00002      0.00010 
     0.00003      0.00010      0.00006     -0.00002     -0.00010     -0.00000 
     0.00007      0.00842     -0.00262     -0.00918     -0.02442     -0.70523 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4206829239
 Log product of positive Hessian eigenvalues =          519.6949148821
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0729530141
 Unscaled step for mode    7=        0.0000000071
 Unscaled step for mode    8=        0.0000000081
 Unscaled step for mode    9=        0.0000000010
 Unscaled step for mode   10=       -0.0000000036
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000062
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000005
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000143
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000412
 Unscaled step for mode   20=       -0.0000000166
 Unscaled step for mode   21=       -0.0000000169
 Unscaled step for mode   22=        0.0000000221
 Unscaled step for mode   23=       -0.0000000025
 Unscaled step for mode   24=        0.0000000080
 Unscaled step for mode   25=        0.0000000607
 Unscaled step for mode   26=        0.0000001021
 Unscaled step for mode   27=        0.0000000526
 Unscaled step for mode   28=       -0.0000000453
 Unscaled step for mode   29=       -0.0000000491
 Unscaled step for mode   30=        0.0000000804
 Unscaled step for mode   31=        0.0000000565
 Unscaled step for mode   32=        0.0000000258
 Unscaled step for mode   33=       -0.0000000464
 Unscaled step for mode   34=       -0.0000000462
 Unscaled step for mode   35=       -0.0000000909
 Unscaled step for mode   36=       -0.0000000741
 Unscaled step for mode   37=        0.0000000748
 Unscaled step for mode   38=       -0.0000000024
 Unscaled step for mode   39=        0.0000000836
 Unscaled step for mode   40=        0.0000000677
 Unscaled step for mode   41=        0.0000001779
 Unscaled step for mode   42=        0.0000000615
 Unscaled step for mode   43=        0.0000000749
 Unscaled step for mode   44=        0.0000001352
 Unscaled step for mode   45=       -0.0000000046
 Unscaled step for mode   46=       -0.0000001322
 Unscaled step for mode   47=        0.0000001465
 Unscaled step for mode   48=       -0.0000000286
 Unscaled step for mode   49=        0.0000001372
 Unscaled step for mode   50=       -0.0000000475
 Unscaled step for mode   51=        0.0000000929
 Unscaled step for mode   52=        0.0000000249
 Unscaled step for mode   53=       -0.0000000800
 Unscaled step for mode   54=       -0.0000001164
 Unscaled step for mode   55=        0.0000001269
 Unscaled step for mode   56=        0.0000000382
 Unscaled step for mode   57=       -0.0000000761
 Unscaled step for mode   58=       -0.0000001663
 Unscaled step for mode   59=        0.0000000189
 Unscaled step for mode   60=       -0.0000001636
 Unscaled step for mode   61=        0.0000002231
 Unscaled step for mode   62=        0.0000002076
 Unscaled step for mode   63=       -0.0000001712
 Unscaled step for mode   64=        0.0000002359
 Unscaled step for mode   65=        0.0000001739
 Unscaled step for mode   66=       -0.0000001397
 Unscaled step for mode   67=       -0.0000000755
 Unscaled step for mode   68=        0.0000000789
 Unscaled step for mode   69=       -0.0000000553
 Unscaled step for mode   70=        0.0000002542
 Unscaled step for mode   71=        0.0000000589
 Unscaled step for mode   72=       -0.0000006142
 Unscaled step for mode   73=        0.0000002827
 Unscaled step for mode   74=        0.0000002760
 Unscaled step for mode   75=       -0.0000008241
 Unscaled step for mode   76=       -0.0000001234
 Unscaled step for mode   77=        0.0000005624
 Unscaled step for mode   78=       -0.0000000720
 Unscaled step for mode   79=        0.0000000958
 Unscaled step for mode   80=        0.0000002603
 Unscaled step for mode   81=       -0.0000002924
 Unscaled step for mode   82=       -0.0000000844
 Unscaled step for mode   83=       -0.0000002047
 Unscaled step for mode   84=        0.0000006219
 Unscaled step for mode   85=        0.0000005763
 Unscaled step for mode   86=        0.0000001360
 Unscaled step for mode   87=        0.0000006624
 Unscaled step for mode   88=       -0.0000001218
 Unscaled step for mode   89=        0.0000005497
 Unscaled step for mode   90=       -0.0000009604
 Unscaled step for mode   91=        0.0000002272
 Unscaled step for mode   92=       -0.0000011102
 Unscaled step for mode   93=       -0.0000003905
 Unscaled step for mode   94=        0.0000009876
 Unscaled step for mode   95=        0.0000003892
 Unscaled step for mode   96=       -0.0000000869
 Unscaled step for mode   97=       -0.0000010014
 Unscaled step for mode   98=       -0.0000011868
 Unscaled step for mode   99=        0.0000033178
 Unscaled step for mode  100=        0.0000025529
 Unscaled step for mode  101=       -0.0000007079
 Unscaled step for mode  102=       -0.0000035564
 Unscaled step for mode  103=       -0.0000010372
 Unscaled step for mode  104=       -0.0000036690
 Unscaled step for mode  105=       -0.0000026860
 Unscaled step for mode  106=        0.0000010767
 Unscaled step for mode  107=        0.0000048518
 Unscaled step for mode  108=        0.0000002897
 Unscaled step for mode  109=       -0.0000051816
 Unscaled step for mode  110=       -0.0006875660
 Unscaled step for mode  111=        0.0002636165
 Unscaled step for mode  112=        0.0010495154
 Unscaled step for mode  113=        0.0035274189
 Unscaled step for mode  114=       -0.1682470357
 Largest modulus ratio of non-zero e/values=           180.5622944    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.179978E-16    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.879071E-15    0.100703E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.122014E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.744847E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.127892E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.777888E-15    0.973949E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.521419E-05    0.735422E+03  0.709006E-08 0.100000E-04    0.993664E+00
   8   -0.544233E-05    0.673852E+03  0.807644E-08 0.100000E-04    0.992558E+00
   9   -0.653911E-06    0.627352E+03  0.104233E-08 0.100000E-04    0.903725E+00
  10    0.219992E-05    0.603860E+03 -0.364310E-08 0.100000E-04    0.999292E+00
  11   -0.157745E-05    0.587953E+03  0.268296E-08 0.100000E-04    0.986580E+00
  12   -0.352891E-05    0.572833E+03  0.616045E-08 0.100000E-04    0.967758E+00
  13   -0.360059E-05    0.567054E+03  0.634963E-08 0.100000E-04    0.996538E+00
  14   -0.222949E-06    0.483754E+03  0.460872E-09 0.100000E-04    0.749829E+00
  15    0.186823E-05    0.464298E+03 -0.402377E-08 0.100000E-04    0.988582E+00
  16    0.660894E-05    0.461092E+03 -0.143332E-07 0.100000E-04    0.999187E+00
  17    0.456305E-05    0.441449E+03 -0.103365E-07 0.100000E-04    0.992097E+00
  18    0.493731E-05    0.429439E+03 -0.114971E-07 0.100000E-04    0.989961E+00
  19   -0.173908E-04    0.421952E+03  0.412152E-07 0.100000E-04    0.999070E+00
  20    0.675998E-05    0.408197E+03 -0.165606E-07 0.100000E-04    0.989254E+00
  21    0.669417E-05    0.397229E+03 -0.168522E-07 0.100000E-04    0.992483E+00
  22   -0.858719E-05    0.388777E+03  0.220877E-07 0.100000E-04    0.990603E+00
  23    0.917149E-06    0.368155E+03 -0.249120E-08 0.100000E-04    0.915462E+00
  24   -0.289270E-05    0.361472E+03  0.800256E-08 0.100000E-04    0.973172E+00
  25   -0.212696E-04    0.350605E+03  0.606653E-07 0.100000E-04    0.999409E+00
  26   -0.342656E-04    0.335652E+03  0.102086E-06 0.100000E-04    0.999096E+00
  27   -0.171550E-04    0.326366E+03  0.525636E-07 0.100000E-04    0.999518E+00
  28    0.145720E-04    0.321433E+03 -0.453346E-07 0.100000E-04    0.997685E+00
  29    0.157344E-04    0.320291E+03 -0.491254E-07 0.100000E-04    0.985987E+00
  30   -0.250934E-04    0.311937E+03  0.804438E-07 0.100000E-04    0.997636E+00
  31   -0.171591E-04    0.303538E+03  0.565304E-07 0.100000E-04    0.993546E+00
  32   -0.745209E-05    0.288884E+03  0.257961E-07 0.100000E-04    0.987189E+00
  33    0.129149E-04    0.278627E+03 -0.463520E-07 0.100000E-04    0.997344E+00
  34    0.125050E-04    0.270907E+03 -0.461598E-07 0.100000E-04    0.994047E+00
  35    0.242918E-04    0.267157E+03 -0.909271E-07 0.100000E-04    0.997693E+00
  36    0.195942E-04    0.264435E+03 -0.740984E-07 0.100000E-04    0.992608E+00
  37   -0.194643E-04    0.260083E+03  0.748390E-07 0.100000E-04    0.998603E+00
  38    0.598863E-06    0.253941E+03 -0.235828E-08 0.100000E-04    0.875909E+00
  39   -0.202479E-04    0.242127E+03  0.836252E-07 0.100000E-04    0.999346E+00
  40   -0.161465E-04    0.238654E+03  0.676566E-07 0.100000E-04    0.984987E+00
  41   -0.417453E-04    0.234677E+03  0.177884E-06 0.100000E-04    0.995920E+00
  42   -0.140526E-04    0.228365E+03  0.615355E-07 0.100000E-04    0.987795E+00
  43   -0.164385E-04    0.219517E+03  0.748847E-07 0.100000E-04    0.993339E+00
  44   -0.289363E-04    0.214008E+03  0.135212E-06 0.100000E-04    0.991533E+00
  45    0.985473E-06    0.212501E+03 -0.463750E-08 0.100000E-04    0.994394E+00
  46    0.273977E-04    0.207225E+03 -0.132212E-06 0.100000E-04    0.994799E+00
  47   -0.298145E-04    0.203576E+03  0.146454E-06 0.100000E-04    0.998463E+00
  48    0.564526E-05    0.197281E+03 -0.286154E-07 0.100000E-04    0.998063E+00
  49   -0.267787E-04    0.195165E+03  0.137211E-06 0.100000E-04    0.995997E+00
  50    0.910281E-05    0.191478E+03 -0.475397E-07 0.100000E-04    0.986485E+00
  51   -0.170921E-04    0.183967E+03  0.929083E-07 0.100000E-04    0.998718E+00
  52   -0.434619E-05    0.174757E+03  0.248699E-07 0.100000E-04    0.992556E+00
  53    0.137570E-04    0.172017E+03 -0.799748E-07 0.100000E-04    0.999031E+00
  54    0.195019E-04    0.167585E+03 -0.116370E-06 0.100000E-04    0.996850E+00
  55   -0.209140E-04    0.164795E+03  0.126909E-06 0.100000E-04    0.997200E+00
  56   -0.605703E-05    0.158669E+03  0.381740E-07 0.100000E-04    0.985458E+00
  57    0.117354E-04    0.154122E+03 -0.761436E-07 0.100000E-04    0.999542E+00
  58    0.252011E-04    0.151510E+03 -0.166333E-06 0.100000E-04    0.997768E+00
  59   -0.280719E-05    0.148389E+03  0.189178E-07 0.100000E-04    0.966193E+00
  60    0.234573E-04    0.143340E+03 -0.163648E-06 0.100000E-04    0.999985E+00
  61   -0.306052E-04    0.137202E+03  0.223067E-06 0.100000E-04    0.999690E+00
  62   -0.282149E-04    0.135889E+03  0.207632E-06 0.100000E-04    0.997850E+00
  63    0.223624E-04    0.130619E+03 -0.171203E-06 0.100000E-04    0.994514E+00
  64   -0.302450E-04    0.128195E+03  0.235929E-06 0.100000E-04    0.995482E+00
  65   -0.219529E-04    0.126205E+03  0.173947E-06 0.100000E-04    0.999410E+00
  66    0.175248E-04    0.125470E+03 -0.139673E-06 0.100000E-04    0.994098E+00
  67    0.904246E-05    0.119795E+03 -0.754828E-07 0.100000E-04    0.979711E+00
  68   -0.931315E-05    0.118095E+03  0.788612E-07 0.100000E-04    0.996213E+00
  69    0.647462E-05    0.117063E+03 -0.553088E-07 0.100000E-04    0.999912E+00
  70   -0.281763E-04    0.110853E+03  0.254178E-06 0.100000E-04    0.994672E+00
  71   -0.633597E-05    0.107648E+03  0.588583E-07 0.100000E-04    0.990757E+00
  72    0.642916E-04    0.104671E+03 -0.614225E-06 0.100000E-04    0.996344E+00
  73   -0.291492E-04    0.103092E+03  0.282748E-06 0.100000E-04    0.999957E+00
  74   -0.275323E-04    0.997421E+02  0.276035E-06 0.100000E-04    0.996966E+00
  75    0.789438E-04    0.957913E+02 -0.824123E-06 0.100000E-04    0.998541E+00
  76    0.116629E-04    0.945143E+02 -0.123398E-06 0.100000E-04    0.950413E+00
  77   -0.524678E-04    0.933008E+02  0.562351E-06 0.100000E-04    0.993313E+00
  78    0.652656E-05    0.906172E+02 -0.720234E-07 0.100000E-04    0.993906E+00
  79   -0.857896E-05    0.895621E+02  0.957879E-07 0.100000E-04    0.997223E+00
  80   -0.221463E-04    0.850784E+02  0.260305E-06 0.100000E-04    0.998363E+00
  81    0.236575E-04    0.809061E+02 -0.292407E-06 0.100000E-04    0.995729E+00
  82    0.674173E-05    0.798800E+02 -0.843982E-07 0.100000E-04    0.967251E+00
  83    0.160214E-04    0.782564E+02 -0.204730E-06 0.100000E-04    0.995718E+00
  84   -0.453041E-04    0.728489E+02  0.621892E-06 0.100000E-04    0.997425E+00
  85   -0.417010E-04    0.723577E+02  0.576317E-06 0.100000E-04    0.993631E+00
  86   -0.928498E-05    0.682644E+02  0.136015E-06 0.100000E-04    0.987439E+00
  87   -0.438440E-04    0.661886E+02  0.662411E-06 0.100000E-04    0.996799E+00
  88    0.768258E-05    0.630694E+02 -0.121811E-06 0.100000E-04    0.967207E+00
  89   -0.329639E-04    0.599668E+02  0.549704E-06 0.100000E-04    0.971327E+00
  90    0.573169E-04    0.596792E+02 -0.960417E-06 0.100000E-04    0.993916E+00
  91   -0.134186E-04    0.590677E+02  0.227173E-06 0.100000E-04    0.983166E+00
  92    0.622224E-04    0.560484E+02 -0.111015E-05 0.100000E-04    0.999884E+00
  93    0.205777E-04    0.526907E+02 -0.390538E-06 0.100000E-04    0.981637E+00
  94   -0.516597E-04    0.523093E+02  0.987581E-06 0.100000E-04    0.996755E+00
  95   -0.194771E-04    0.500434E+02  0.389203E-06 0.100000E-04    0.992679E+00
  96    0.412078E-05    0.473954E+02 -0.869447E-07 0.100000E-04    0.999859E+00
  97    0.429277E-04    0.428694E+02 -0.100136E-05 0.100000E-04    0.993113E+00
  98    0.480273E-04    0.404671E+02 -0.118682E-05 0.100000E-04    0.999150E+00
  99   -0.124577E-03    0.375481E+02  0.331780E-05 0.100000E-04    0.997173E+00
 100   -0.925516E-04    0.362541E+02  0.255286E-05 0.100000E-04    0.994754E+00
 101    0.242452E-04    0.342501E+02 -0.707887E-06 0.100000E-04    0.987127E+00
 102    0.102435E-03    0.288025E+02 -0.355645E-05 0.100000E-04    0.999570E+00
 103    0.296800E-04    0.286146E+02 -0.103723E-05 0.100000E-04    0.985025E+00
 104    0.999730E-04    0.272482E+02 -0.366898E-05 0.100000E-04    0.992316E+00
 105    0.618926E-04    0.230429E+02 -0.268598E-05 0.100000E-04    0.995085E+00
 106   -0.228132E-04    0.211873E+02  0.107674E-05 0.100000E-04    0.980443E+00
 107   -0.996379E-04    0.205361E+02  0.485185E-05 0.100000E-04    0.989372E+00
 108   -0.486599E-05    0.167966E+02  0.289701E-06 0.100000E-04    0.859765E+00
 109    0.715241E-04    0.138036E+02 -0.518157E-05 0.100000E-04    0.990174E+00
 110    0.841691E-02    0.122416E+02 -0.100000E-04 0.100000E-04    0.447687E+00
 111   -0.261954E-02    0.993694E+01  0.100000E-04 0.100000E-04    0.686555E+00
 112   -0.917757E-02    0.874457E+01  0.114026E-04 0.114026E-04    0.207320E+00
 113   -0.244155E-01    0.692155E+01  0.193864E-04 0.193864E-04    0.254107E+00
 114   -0.705225E+00    0.407295E+01 -0.400000E-03 0.400000E-03    0.806071E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1682470357    

 Beginning of optimization cycle  362.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3477599283
 potential> RMS force:                                               0.0662523445   |gradient|=.7073814666    
 Eigenvalues of the Hessian matrix:
   735.48522    673.85973    627.36469    603.84952    587.94310    572.87600 
   567.05691    483.78030    464.27507    461.08553    441.45114    429.43174 
   421.95480    408.20336    397.22436    388.77432    368.16342    361.46368 
   350.59775    335.63842    326.38025    321.43362    320.28927    311.91628 
   303.52400    288.89367    278.62245    270.91318    267.16579    264.44096 
   260.09976    253.94084    242.12220    238.66747    234.66491    228.36022 
   219.49639    214.01515    212.50725    207.22164    203.57560    197.27257 
   195.16124    191.47634    183.95722    174.74722    172.02239    167.58678 
   164.78697    158.65771    154.12708    151.51611    148.37959    143.34207 
   137.20531    135.89060    130.61773    128.19976    126.20819    125.46565 
   119.79668    118.09625    117.06434    110.84717    107.64072    104.66831 
   103.09226     99.74111     95.78926     94.50192     93.31231     90.62127 
    89.55655     85.08130     80.90577     79.88224     78.25519     72.85131 
    72.36238     68.26368     66.17669     63.06400     59.96365     59.67542 
    59.06708     56.04860     52.68797     52.30990     50.04253     47.39006 
    42.86936     40.46974     37.55213     36.25674     34.23785     28.80211 
    28.61331     27.24026     23.04491     21.18097     20.54000     16.79585 
    13.80404     12.24146      9.93841      8.73937      6.91384      4.06769 
overlap for current and previous eigenvector    109 is         0.9999997171
overlap for current and previous eigenvector    110 is         0.9999995712
overlap for current and previous eigenvector    111 is        -0.9999993054
overlap for current and previous eigenvector    112 is        -0.9999947310
overlap for current and previous eigenvector    113 is         0.9999952002
overlap for current and previous eigenvector    114 is         0.9999997272
J1,K1,R1,R2,RAT=   7   7   -0.5894119872E-02     2.005721501        0.9941058801    
FOB,PFOB,DIAG,PSTEP=   -0.5244920705E-05   -0.5214185021E-05     735.4852206        0.7090061019E-08
J1,K1,R1,R2,RAT=   8   8    0.9212945906E-03     1.999054720        0.9990547203    
FOB,PFOB,DIAG,PSTEP=   -0.5437310969E-05   -0.5442325014E-05     673.8597303        0.8076443862E-08
J1,K1,R1,R2,RAT=   9   9    0.5900528013E-01     1.940955267        0.9409552669    
FOB,PFOB,DIAG,PSTEP=   -0.6153260797E-06   -0.6539110453E-06     627.3646949        0.1042334627E-08
J1,K1,R1,R2,RAT=  10  10   -0.1053371303E-01     2.010569016        0.9894662870    
FOB,PFOB,DIAG,PSTEP=    0.2223096207E-05    0.2199923256E-05     603.8495228       -0.3643100377E-08
J1,K1,R1,R2,RAT=  11  11   -0.2630321522E-01     2.026336658        0.9736967848    
FOB,PFOB,DIAG,PSTEP=   -0.1618944341E-05   -0.1577452950E-05     587.9431046        0.2682957859E-08
J1,K1,R1,R2,RAT= 109 109    0.1497245908E-01     1.984958174        0.9849581743    
FOB,PFOB,DIAG,PSTEP=    0.7045317878E-04    0.7152410769E-04     13.80403822       -0.5181569866E-05
J1,K1,R1,R2,RAT= 110 110   -0.5654447240         138.0803430        0.4345552760    
FOB,PFOB,DIAG,PSTEP=    0.8486131484E-02    0.8416912817E-02     12.24145591       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     52.39206282        0.3234237664        0.6765762336    
FOB,PFOB,DIAG,PSTEP=    0.2587397850E-02   -0.2619541036E-02     9.938411671        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     185.0959193       -0.9027997571        0.9720024295E-01
FOB,PFOB,DIAG,PSTEP=    0.9267534462E-02   -0.9177569027E-02     8.739369951        0.1140260626E-04
J1,K1,R1,R2,RAT= 113 113   -0.8398270711         365.1572424        0.1601729289    
FOB,PFOB,DIAG,PSTEP=   -0.2452809023E-01   -0.2441552456E-01     6.913841074        0.1938638041E-04
J1,K1,R1,R2,RAT= 114 114    0.9922435529        -867.8542475        0.7756447059E-02
FOB,PFOB,DIAG,PSTEP=   -0.7068395800       -0.7052251244         4.067689674       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002      0.00001      0.00001      0.00003     -0.00000      0.00002 
     0.00003      0.00003      0.00002     -0.00003     -0.00002      0.00002 
    -0.00001     -0.00001      0.00001     -0.00003     -0.00001     -0.00006 
    -0.00003     -0.00003      0.00008     -0.00001      0.00005      0.00001 
    -0.00001     -0.00002      0.00002      0.00001      0.00002      0.00005 
     0.00004      0.00001     -0.00004      0.00001      0.00003      0.00006 
    -0.00001     -0.00006     -0.00002      0.00005      0.00002     -0.00000 
     0.00004      0.00005      0.00013     -0.00009      0.00002     -0.00010 
    -0.00003     -0.00010     -0.00006      0.00002     -0.00010     -0.00001 
     0.00007      0.00849      0.00259      0.00927     -0.02453     -0.70684 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4205042428
 Log product of positive Hessian eigenvalues =          519.6908733357
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0676896739
 Unscaled step for mode    7=        0.0000000071
 Unscaled step for mode    8=        0.0000000081
 Unscaled step for mode    9=        0.0000000010
 Unscaled step for mode   10=       -0.0000000037
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000061
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=        0.0000000004
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000144
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000414
 Unscaled step for mode   20=       -0.0000000166
 Unscaled step for mode   21=       -0.0000000169
 Unscaled step for mode   22=        0.0000000221
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000080
 Unscaled step for mode   25=        0.0000000609
 Unscaled step for mode   26=        0.0000001023
 Unscaled step for mode   27=        0.0000000527
 Unscaled step for mode   28=       -0.0000000454
 Unscaled step for mode   29=       -0.0000000498
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000567
 Unscaled step for mode   32=        0.0000000257
 Unscaled step for mode   33=       -0.0000000465
 Unscaled step for mode   34=       -0.0000000464
 Unscaled step for mode   35=       -0.0000000908
 Unscaled step for mode   36=       -0.0000000740
 Unscaled step for mode   37=        0.0000000751
 Unscaled step for mode   38=       -0.0000000025
 Unscaled step for mode   39=        0.0000000839
 Unscaled step for mode   40=        0.0000000680
 Unscaled step for mode   41=        0.0000001780
 Unscaled step for mode   42=        0.0000000614
 Unscaled step for mode   43=        0.0000000751
 Unscaled step for mode   44=        0.0000001352
 Unscaled step for mode   45=       -0.0000000049
 Unscaled step for mode   46=       -0.0000001325
 Unscaled step for mode   47=        0.0000001460
 Unscaled step for mode   48=       -0.0000000290
 Unscaled step for mode   49=        0.0000001373
 Unscaled step for mode   50=       -0.0000000483
 Unscaled step for mode   51=        0.0000000932
 Unscaled step for mode   52=       -0.0000000251
 Unscaled step for mode   53=       -0.0000000805
 Unscaled step for mode   54=       -0.0000001169
 Unscaled step for mode   55=       -0.0000001269
 Unscaled step for mode   56=       -0.0000000375
 Unscaled step for mode   57=       -0.0000000771
 Unscaled step for mode   58=       -0.0000001665
 Unscaled step for mode   59=        0.0000000190
 Unscaled step for mode   60=       -0.0000001643
 Unscaled step for mode   61=       -0.0000002249
 Unscaled step for mode   62=       -0.0000002072
 Unscaled step for mode   63=       -0.0000001719
 Unscaled step for mode   64=        0.0000002372
 Unscaled step for mode   65=        0.0000001759
 Unscaled step for mode   66=       -0.0000001387
 Unscaled step for mode   67=        0.0000000749
 Unscaled step for mode   68=        0.0000000794
 Unscaled step for mode   69=       -0.0000000559
 Unscaled step for mode   70=        0.0000002539
 Unscaled step for mode   71=        0.0000000586
 Unscaled step for mode   72=        0.0000006163
 Unscaled step for mode   73=        0.0000002838
 Unscaled step for mode   74=        0.0000002762
 Unscaled step for mode   75=       -0.0000008264
 Unscaled step for mode   76=        0.0000001290
 Unscaled step for mode   77=       -0.0000005609
 Unscaled step for mode   78=       -0.0000000749
 Unscaled step for mode   79=        0.0000000954
 Unscaled step for mode   80=        0.0000002610
 Unscaled step for mode   81=       -0.0000002925
 Unscaled step for mode   82=       -0.0000000852
 Unscaled step for mode   83=       -0.0000002058
 Unscaled step for mode   84=       -0.0000006260
 Unscaled step for mode   85=       -0.0000005780
 Unscaled step for mode   86=       -0.0000001401
 Unscaled step for mode   87=        0.0000006662
 Unscaled step for mode   88=       -0.0000001200
 Unscaled step for mode   89=       -0.0000005349
 Unscaled step for mode   90=       -0.0000009754
 Unscaled step for mode   91=        0.0000002362
 Unscaled step for mode   92=        0.0000011108
 Unscaled step for mode   93=        0.0000003868
 Unscaled step for mode   94=       -0.0000009900
 Unscaled step for mode   95=       -0.0000003875
 Unscaled step for mode   96=        0.0000000812
 Unscaled step for mode   97=       -0.0000010126
 Unscaled step for mode   98=       -0.0000011953
 Unscaled step for mode   99=       -0.0000033315
 Unscaled step for mode  100=        0.0000025567
 Unscaled step for mode  101=       -0.0000007260
 Unscaled step for mode  102=        0.0000035675
 Unscaled step for mode  103=        0.0000010416
 Unscaled step for mode  104=        0.0000036720
 Unscaled step for mode  105=        0.0000027155
 Unscaled step for mode  106=       -0.0000011496
 Unscaled step for mode  107=        0.0000048702
 Unscaled step for mode  108=        0.0000003800
 Unscaled step for mode  109=       -0.0000051038
 Unscaled step for mode  110=       -0.0006932286
 Unscaled step for mode  111=       -0.0002603432
 Unscaled step for mode  112=       -0.0010604339
 Unscaled step for mode  113=        0.0035476346
 Unscaled step for mode  114=       -0.1688170149
 Largest modulus ratio of non-zero e/values=           180.8115367    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.422622E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.164972E-14    0.100703E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.112453E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.156776E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.287861E-18    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.294361E-16    0.973951E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.524492E-05    0.735485E+03  0.713124E-08 0.100000E-04    0.994106E+00
   8   -0.543731E-05    0.673860E+03  0.806891E-08 0.100000E-04    0.999055E+00
   9   -0.615326E-06    0.627365E+03  0.980811E-09 0.100000E-04    0.940955E+00
  10    0.222310E-05    0.603850E+03 -0.368154E-08 0.100000E-04    0.989466E+00
  11   -0.161894E-05    0.587943E+03  0.275357E-08 0.100000E-04    0.973697E+00
  12   -0.348278E-05    0.572876E+03  0.607947E-08 0.100000E-04    0.986779E+00
  13   -0.362039E-05    0.567057E+03  0.638452E-08 0.100000E-04    0.994501E+00
  14   -0.217213E-06    0.483780E+03  0.448992E-09 0.100000E-04    0.974169E+00
  15    0.190287E-05    0.464275E+03 -0.409859E-08 0.100000E-04    0.981455E+00
  16    0.664617E-05    0.461086E+03 -0.144142E-07 0.100000E-04    0.994366E+00
  17    0.462289E-05    0.441451E+03 -0.104720E-07 0.100000E-04    0.986886E+00
  18    0.499893E-05    0.429432E+03 -0.116408E-07 0.100000E-04    0.987519E+00
  19   -0.174590E-04    0.421955E+03  0.413766E-07 0.100000E-04    0.996078E+00
  20    0.679579E-05    0.408203E+03 -0.166480E-07 0.100000E-04    0.994703E+00
  21    0.672584E-05    0.397224E+03 -0.169321E-07 0.100000E-04    0.995270E+00
  22   -0.858106E-05    0.388774E+03  0.220721E-07 0.100000E-04    0.999287E+00
  23    0.848325E-06    0.368163E+03 -0.230421E-08 0.100000E-04    0.924915E+00
  24   -0.287956E-05    0.361464E+03  0.796640E-08 0.100000E-04    0.995458E+00
  25   -0.213585E-04    0.350598E+03  0.609202E-07 0.100000E-04    0.995819E+00
  26   -0.343290E-04    0.335638E+03  0.102280E-06 0.100000E-04    0.998148E+00
  27   -0.172042E-04    0.326380E+03  0.527121E-07 0.100000E-04    0.997129E+00
  28    0.145926E-04    0.321434E+03 -0.453985E-07 0.100000E-04    0.998588E+00
  29    0.159516E-04    0.320289E+03 -0.498038E-07 0.100000E-04    0.986198E+00
  30   -0.250221E-04    0.311916E+03  0.802204E-07 0.100000E-04    0.997156E+00
  31   -0.172109E-04    0.303524E+03  0.567035E-07 0.100000E-04    0.996985E+00
  32   -0.742503E-05    0.288894E+03  0.257016E-07 0.100000E-04    0.996301E+00
  33    0.129550E-04    0.278622E+03 -0.464968E-07 0.100000E-04    0.996892E+00
  34    0.125737E-04    0.270913E+03 -0.464123E-07 0.100000E-04    0.994509E+00
  35    0.242457E-04    0.267166E+03 -0.907514E-07 0.100000E-04    0.998037E+00
  36    0.195629E-04    0.264441E+03 -0.739782E-07 0.100000E-04    0.998355E+00
  37   -0.195346E-04    0.260100E+03  0.751042E-07 0.100000E-04    0.996391E+00
  38    0.632996E-06    0.253941E+03 -0.249269E-08 0.100000E-04    0.943003E+00
  39   -0.203058E-04    0.242122E+03  0.838659E-07 0.100000E-04    0.997139E+00
  40   -0.162362E-04    0.238667E+03  0.680287E-07 0.100000E-04    0.994445E+00
  41   -0.417653E-04    0.234665E+03  0.177978E-06 0.100000E-04    0.999521E+00
  42   -0.140133E-04    0.228360E+03  0.613650E-07 0.100000E-04    0.997207E+00
  43   -0.164739E-04    0.219496E+03  0.750533E-07 0.100000E-04    0.997844E+00
  44   -0.289385E-04    0.214015E+03  0.135217E-06 0.100000E-04    0.999924E+00
  45    0.103459E-05    0.212507E+03 -0.486852E-08 0.100000E-04    0.950155E+00
  46    0.274609E-04    0.207222E+03 -0.132519E-06 0.100000E-04    0.997693E+00
  47   -0.297194E-04    0.203576E+03  0.145987E-06 0.100000E-04    0.996811E+00
  48    0.572421E-05    0.197273E+03 -0.290168E-07 0.100000E-04    0.986014E+00
  49   -0.267994E-04    0.195161E+03  0.137319E-06 0.100000E-04    0.999228E+00
  50    0.924603E-05    0.191476E+03 -0.482881E-07 0.100000E-04    0.984267E+00
  51   -0.171418E-04    0.183957E+03  0.931835E-07 0.100000E-04    0.997091E+00
  52    0.439038E-05    0.174747E+03 -0.251242E-07 0.100000E-04    0.989832E+00
  53    0.138486E-04    0.172022E+03 -0.805045E-07 0.100000E-04    0.993346E+00
  54    0.195929E-04    0.167587E+03 -0.116912E-06 0.100000E-04    0.995333E+00
  55    0.209037E-04    0.164787E+03 -0.126853E-06 0.100000E-04    0.999505E+00
  56    0.595143E-05    0.158658E+03 -0.375111E-07 0.100000E-04    0.982565E+00
  57    0.118822E-04    0.154127E+03 -0.770937E-07 0.100000E-04    0.987490E+00
  58    0.252288E-04    0.151516E+03 -0.166509E-06 0.100000E-04    0.998902E+00
  59   -0.281236E-05    0.148380E+03  0.189538E-07 0.100000E-04    0.998158E+00
  60    0.235564E-04    0.143342E+03 -0.164337E-06 0.100000E-04    0.995777E+00
  61    0.308571E-04    0.137205E+03 -0.224897E-06 0.100000E-04    0.991771E+00
  62    0.281533E-04    0.135891E+03 -0.207176E-06 0.100000E-04    0.997792E+00
  63    0.224586E-04    0.130618E+03 -0.171941E-06 0.100000E-04    0.995701E+00
  64   -0.304087E-04    0.128200E+03  0.237197E-06 0.100000E-04    0.994588E+00
  65   -0.222010E-04    0.126208E+03  0.175908E-06 0.100000E-04    0.988699E+00
  66    0.174027E-04    0.125466E+03 -0.138705E-06 0.100000E-04    0.993036E+00
  67   -0.896715E-05    0.119797E+03  0.748530E-07 0.100000E-04    0.991642E+00
  68   -0.937182E-05    0.118096E+03  0.793575E-07 0.100000E-04    0.993701E+00
  69    0.654755E-05    0.117064E+03 -0.559312E-07 0.100000E-04    0.988736E+00
  70   -0.281424E-04    0.110847E+03  0.253884E-06 0.100000E-04    0.998795E+00
  71   -0.630286E-05    0.107641E+03  0.585546E-07 0.100000E-04    0.994775E+00
  72   -0.645072E-04    0.104668E+03  0.616301E-06 0.100000E-04    0.996646E+00
  73   -0.292532E-04    0.103092E+03  0.283758E-06 0.100000E-04    0.996431E+00
  74   -0.275482E-04    0.997411E+02  0.276197E-06 0.100000E-04    0.999423E+00
  75    0.791631E-04    0.957893E+02 -0.826430E-06 0.100000E-04    0.997222E+00
  76   -0.121866E-04    0.945019E+02  0.128957E-06 0.100000E-04    0.955087E+00
  77    0.523413E-04    0.933123E+02 -0.560926E-06 0.100000E-04    0.997343E+00
  78    0.678877E-05    0.906213E+02 -0.749136E-07 0.100000E-04    0.959827E+00
  79   -0.853950E-05    0.895566E+02  0.953532E-07 0.100000E-04    0.995401E+00
  80   -0.222061E-04    0.850813E+02  0.260999E-06 0.100000E-04    0.997297E+00
  81    0.236653E-04    0.809058E+02 -0.292504E-06 0.100000E-04    0.999671E+00
  82    0.680335E-05    0.798822E+02 -0.851672E-07 0.100000E-04    0.990861E+00
  83    0.161058E-04    0.782552E+02 -0.205811E-06 0.100000E-04    0.994736E+00
  84    0.456078E-04    0.728513E+02 -0.626040E-06 0.100000E-04    0.993297E+00
  85    0.418284E-04    0.723624E+02 -0.578041E-06 0.100000E-04    0.996944E+00
  86    0.956197E-05    0.682637E+02 -0.140074E-06 0.100000E-04    0.970167E+00
  87   -0.440843E-04    0.661767E+02  0.666161E-06 0.100000E-04    0.994519E+00
  88    0.757010E-05    0.630640E+02 -0.120038E-06 0.100000E-04    0.985358E+00
  89    0.320721E-04    0.599637E+02 -0.534859E-06 0.100000E-04    0.972944E+00
  90    0.582085E-04    0.596754E+02 -0.975418E-06 0.100000E-04    0.984444E+00
  91   -0.139534E-04    0.590671E+02  0.236230E-06 0.100000E-04    0.960145E+00
  92   -0.622584E-04    0.560486E+02  0.111079E-05 0.100000E-04    0.999422E+00
  93   -0.203810E-04    0.526880E+02  0.386825E-06 0.100000E-04    0.990441E+00
  94    0.517869E-04    0.523099E+02 -0.990001E-06 0.100000E-04    0.997538E+00
  95    0.193902E-04    0.500425E+02 -0.387475E-06 0.100000E-04    0.995542E+00
  96   -0.384714E-05    0.473901E+02  0.811803E-07 0.100000E-04    0.933588E+00
  97    0.434097E-04    0.428694E+02 -0.101261E-05 0.100000E-04    0.988771E+00
  98    0.483723E-04    0.404697E+02 -0.119527E-05 0.100000E-04    0.992817E+00
  99    0.125107E-03    0.375521E+02 -0.333155E-05 0.100000E-04    0.995749E+00
 100   -0.926993E-04    0.362567E+02  0.255675E-05 0.100000E-04    0.998405E+00
 101    0.248574E-04    0.342379E+02 -0.726021E-06 0.100000E-04    0.974741E+00
 102   -0.102750E-03    0.288021E+02  0.356746E-05 0.100000E-04    0.996916E+00
 103   -0.298042E-04    0.286133E+02  0.104162E-05 0.100000E-04    0.995816E+00
 104   -0.100026E-03    0.272403E+02  0.367199E-05 0.100000E-04    0.999471E+00
 105   -0.625792E-04    0.230449E+02  0.271553E-05 0.100000E-04    0.988908E+00
 106    0.243507E-04    0.211810E+02 -0.114965E-05 0.100000E-04    0.932586E+00
 107   -0.100033E-03    0.205400E+02  0.487015E-05 0.100000E-04    0.996037E+00
 108   -0.638300E-05    0.167959E+02  0.380034E-06 0.100000E-04    0.688228E+00
 109    0.704532E-04    0.138040E+02 -0.510381E-05 0.100000E-04    0.984958E+00
 110    0.848613E-02    0.122415E+02 -0.100000E-04 0.100000E-04    0.434555E+00
 111    0.258740E-02    0.993841E+01 -0.100000E-04 0.100000E-04    0.676576E+00
 112    0.926753E-02    0.873937E+01 -0.124288E-04 0.124288E-04    0.972002E-01
 113   -0.245281E-01    0.691384E+01  0.211312E-04 0.211312E-04    0.160173E+00
 114   -0.706840E+00    0.406769E+01 -0.400000E-03 0.400000E-03    0.775645E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1688170149    

 Beginning of optimization cycle  363.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3474776097
 potential> RMS force:                                               0.0664037286   |gradient|=.7089978066    
 Eigenvalues of the Hessian matrix:
   735.54878    673.86768    627.37724    603.83866    587.93324    572.91892 
   567.05950    483.80652    464.25175    461.07924    441.45328    429.42476 
   421.95792    408.20979    397.21926    388.77190    368.17202    361.45531 
   350.59035    335.62460    326.39508    321.43442    320.28699    311.89526 
   303.50983    288.90346    278.61789    270.91947    267.17417    264.44671 
   260.11684    253.94098    242.11781    238.68060    234.65286    228.35496 
   219.47552    214.02275    212.51387    207.21872    203.57562    197.26457 
   195.15765    191.47469    183.94746    174.73737    172.02749    167.58852 
   164.77876    158.64662    154.13223    151.52194    148.37042    143.34422 
   137.20872    135.89234    130.61617    128.20440    126.21180    125.46134 
   119.79839    118.09704    117.06551    110.84177    107.63366    104.66551 
   103.09208     99.74008     95.78726     94.48943     93.32382     90.62531 
    89.55101     85.08428     80.90545     79.88447     78.25402     72.85374 
    72.36697     68.26290     66.16476     63.05855     59.96074     59.67149 
    59.06640     56.04877     52.68528     52.31044     50.04166     47.38471 
    42.86942     40.47237     37.55618     36.25931     34.22558     28.80176 
    28.61201     27.23234     23.04693     21.17467     20.54390     16.79511 
    13.80453     12.24132      9.93988      8.73436      6.90611      4.06241 
overlap for current and previous eigenvector    109 is        -0.9999997220
overlap for current and previous eigenvector    110 is        -0.9999995738
overlap for current and previous eigenvector    111 is         0.9999993279
overlap for current and previous eigenvector    112 is         0.9999949170
overlap for current and previous eigenvector    113 is         0.9999953556
overlap for current and previous eigenvector    114 is         0.9999997195
J1,K1,R1,R2,RAT=   7   7   -0.6445256238E-02     2.006272434        0.9935547438    
FOB,PFOB,DIAG,PSTEP=   -0.5278728485E-05   -0.5244920705E-05     735.5487803        0.7131238750E-08
J1,K1,R1,R2,RAT=   8   8   -0.7399484247E-02     2.007375899        0.9926005158    
FOB,PFOB,DIAG,PSTEP=   -0.5477544741E-05   -0.5437310969E-05     673.8676771        0.8068906220E-08
J1,K1,R1,R2,RAT=   9   9   -0.9394050172E-01     2.093900495        0.9060594983    
FOB,PFOB,DIAG,PSTEP=   -0.6731312767E-06   -0.6153260797E-06     627.3772444        0.9808108183E-09
J1,K1,R1,R2,RAT=  10  10    0.1641017487E-02     1.998394954        0.9983589825    
FOB,PFOB,DIAG,PSTEP=    0.2219448133E-05    0.2223096207E-05     603.8386624       -0.3681540058E-08
J1,K1,R1,R2,RAT=  11  11    0.1302129677E-01     1.987012275        0.9869787032    
FOB,PFOB,DIAG,PSTEP=   -0.1597863940E-05   -0.1618944341E-05     587.9332355        0.2753573140E-08
J1,K1,R1,R2,RAT= 109 109     2.009772419       -0.9843012052E-02    0.9901569879    
FOB,PFOB,DIAG,PSTEP=   -0.7114667474E-04    0.7045317878E-04     13.80452547       -0.5103809309E-05
J1,K1,R1,R2,RAT= 110 110     139.2037040       -0.5563257516        0.4436742484    
FOB,PFOB,DIAG,PSTEP=   -0.8554233074E-02    0.8486131484E-02     12.24131547       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3183302230         51.74262929        0.6816697770    
FOB,PFOB,DIAG,PSTEP=    0.2555756215E-02    0.2587397850E-02     9.939877692       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8189711326         171.5578604        0.1810288674    
FOB,PFOB,DIAG,PSTEP=    0.9356440314E-02    0.9267534462E-02     8.734360795       -0.1242884082E-04
J1,K1,R1,R2,RAT= 113 113   -0.7743560179         336.9275247        0.2256439821    
FOB,PFOB,DIAG,PSTEP=   -0.2464109511E-01   -0.2452809023E-01     6.906106844        0.2113115465E-04
J1,K1,R1,R2,RAT= 114 114    0.9918881997        -870.9677723        0.8111800259E-02
FOB,PFOB,DIAG,PSTEP=   -0.7084513622       -0.7068395800         4.062409044       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
    -0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
    -0.00002     -0.00001     -0.00001      0.00003     -0.00000      0.00002 
    -0.00003     -0.00003     -0.00002      0.00003      0.00002     -0.00002 
    -0.00001     -0.00001      0.00001     -0.00003     -0.00001     -0.00006 
    -0.00003     -0.00003      0.00008     -0.00001     -0.00005      0.00001 
    -0.00001     -0.00002      0.00002      0.00001      0.00002      0.00005 
     0.00004      0.00001     -0.00004      0.00001      0.00003      0.00006 
    -0.00001     -0.00006     -0.00002      0.00005      0.00002      0.00000 
    -0.00004      0.00005      0.00012     -0.00009      0.00002     -0.00010 
    -0.00003     -0.00010     -0.00006     -0.00002      0.00010      0.00001 
    -0.00007     -0.00855      0.00256      0.00936     -0.02464     -0.70845 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4203232208
 Log product of positive Hessian eigenvalues =          519.6868419379
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0624090442
 Unscaled step for mode    7=        0.0000000072
 Unscaled step for mode    8=        0.0000000081
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000037
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000063
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=        0.0000000003
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000144
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000414
 Unscaled step for mode   20=       -0.0000000165
 Unscaled step for mode   21=       -0.0000000168
 Unscaled step for mode   22=        0.0000000223
 Unscaled step for mode   23=       -0.0000000025
 Unscaled step for mode   24=        0.0000000082
 Unscaled step for mode   25=        0.0000000609
 Unscaled step for mode   26=        0.0000001024
 Unscaled step for mode   27=        0.0000000527
 Unscaled step for mode   28=       -0.0000000453
 Unscaled step for mode   29=       -0.0000000505
 Unscaled step for mode   30=        0.0000000804
 Unscaled step for mode   31=        0.0000000571
 Unscaled step for mode   32=        0.0000000260
 Unscaled step for mode   33=       -0.0000000466
 Unscaled step for mode   34=       -0.0000000467
 Unscaled step for mode   35=       -0.0000000909
 Unscaled step for mode   36=       -0.0000000745
 Unscaled step for mode   37=        0.0000000752
 Unscaled step for mode   38=       -0.0000000028
 Unscaled step for mode   39=        0.0000000839
 Unscaled step for mode   40=        0.0000000690
 Unscaled step for mode   41=        0.0000001787
 Unscaled step for mode   42=        0.0000000621
 Unscaled step for mode   43=        0.0000000755
 Unscaled step for mode   44=        0.0000001363
 Unscaled step for mode   45=       -0.0000000049
 Unscaled step for mode   46=       -0.0000001332
 Unscaled step for mode   47=        0.0000001462
 Unscaled step for mode   48=       -0.0000000290
 Unscaled step for mode   49=        0.0000001379
 Unscaled step for mode   50=       -0.0000000477
 Unscaled step for mode   51=        0.0000000933
 Unscaled step for mode   52=       -0.0000000253
 Unscaled step for mode   53=       -0.0000000804
 Unscaled step for mode   54=       -0.0000001173
 Unscaled step for mode   55=        0.0000001271
 Unscaled step for mode   56=        0.0000000381
 Unscaled step for mode   57=        0.0000000770
 Unscaled step for mode   58=       -0.0000001668
 Unscaled step for mode   59=        0.0000000196
 Unscaled step for mode   60=       -0.0000001643
 Unscaled step for mode   61=        0.0000002249
 Unscaled step for mode   62=        0.0000002067
 Unscaled step for mode   63=        0.0000001711
 Unscaled step for mode   64=       -0.0000002383
 Unscaled step for mode   65=       -0.0000001758
 Unscaled step for mode   66=        0.0000001379
 Unscaled step for mode   67=        0.0000000763
 Unscaled step for mode   68=        0.0000000790
 Unscaled step for mode   69=       -0.0000000559
 Unscaled step for mode   70=        0.0000002552
 Unscaled step for mode   71=        0.0000000591
 Unscaled step for mode   72=        0.0000006186
 Unscaled step for mode   73=        0.0000002837
 Unscaled step for mode   74=        0.0000002752
 Unscaled step for mode   75=       -0.0000008275
 Unscaled step for mode   76=        0.0000001346
 Unscaled step for mode   77=        0.0000005571
 Unscaled step for mode   78=       -0.0000000754
 Unscaled step for mode   79=        0.0000000950
 Unscaled step for mode   80=        0.0000002605
 Unscaled step for mode   81=       -0.0000002937
 Unscaled step for mode   82=       -0.0000000878
 Unscaled step for mode   83=       -0.0000002049
 Unscaled step for mode   84=       -0.0000006275
 Unscaled step for mode   85=       -0.0000005743
 Unscaled step for mode   86=       -0.0000001418
 Unscaled step for mode   87=        0.0000006645
 Unscaled step for mode   88=       -0.0000001238
 Unscaled step for mode   89=       -0.0000005191
 Unscaled step for mode   90=       -0.0000009809
 Unscaled step for mode   91=        0.0000002406
 Unscaled step for mode   92=        0.0000011104
 Unscaled step for mode   93=        0.0000003797
 Unscaled step for mode   94=       -0.0000009929
 Unscaled step for mode   95=       -0.0000003845
 Unscaled step for mode   96=       -0.0000000808
 Unscaled step for mode   97=        0.0000010059
 Unscaled step for mode   98=       -0.0000011956
 Unscaled step for mode   99=       -0.0000033223
 Unscaled step for mode  100=        0.0000025435
 Unscaled step for mode  101=       -0.0000007199
 Unscaled step for mode  102=        0.0000035659
 Unscaled step for mode  103=        0.0000010574
 Unscaled step for mode  104=        0.0000037027
 Unscaled step for mode  105=        0.0000027054
 Unscaled step for mode  106=        0.0000011356
 Unscaled step for mode  107=       -0.0000048162
 Unscaled step for mode  108=       -0.0000003389
 Unscaled step for mode  109=        0.0000051539
 Unscaled step for mode  110=        0.0006987998
 Unscaled step for mode  111=       -0.0002571215
 Unscaled step for mode  112=       -0.0010712209
 Unscaled step for mode  113=        0.0035679699
 Unscaled step for mode  114=       -0.1693882147
 Largest modulus ratio of non-zero e/values=           181.0622151    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.888178E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.151777E-14    0.100703E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.140621E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.544703E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.396890E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.663152E-15    0.973953E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.527873E-05    0.735549E+03  0.717659E-08 0.100000E-04    0.993555E+00
   8   -0.547754E-05    0.673868E+03  0.812852E-08 0.100000E-04    0.992601E+00
   9   -0.673131E-06    0.627377E+03  0.107293E-08 0.100000E-04    0.906059E+00
  10    0.221945E-05    0.603839E+03 -0.367556E-08 0.100000E-04    0.998359E+00
  11   -0.159786E-05    0.587933E+03  0.271776E-08 0.100000E-04    0.986979E+00
  12   -0.359459E-05    0.572919E+03  0.627416E-08 0.100000E-04    0.967900E+00
  13   -0.360726E-05    0.567060E+03  0.636135E-08 0.100000E-04    0.996366E+00
  14   -0.143294E-06    0.483807E+03  0.296181E-09 0.100000E-04    0.659604E+00
  15    0.188073E-05    0.464252E+03 -0.405109E-08 0.100000E-04    0.988362E+00
  16    0.665170E-05    0.461079E+03 -0.144264E-07 0.100000E-04    0.999168E+00
  17    0.458323E-05    0.441453E+03 -0.103821E-07 0.100000E-04    0.991411E+00
  18    0.495005E-05    0.429425E+03 -0.115272E-07 0.100000E-04    0.990222E+00
  19   -0.174754E-04    0.421958E+03  0.414151E-07 0.100000E-04    0.999062E+00
  20    0.672268E-05    0.408210E+03 -0.164687E-07 0.100000E-04    0.989211E+00
  21    0.667438E-05    0.397219E+03 -0.168028E-07 0.100000E-04    0.992350E+00
  22   -0.865897E-05    0.388772E+03  0.222726E-07 0.100000E-04    0.990921E+00
  23    0.920862E-06    0.368172E+03 -0.250117E-08 0.100000E-04    0.914496E+00
  24   -0.295776E-05    0.361455E+03  0.818292E-08 0.100000E-04    0.972844E+00
  25   -0.213682E-04    0.350590E+03  0.609493E-07 0.100000E-04    0.999544E+00
  26   -0.343658E-04    0.335625E+03  0.102394E-06 0.100000E-04    0.998928E+00
  27   -0.172012E-04    0.326395E+03  0.527007E-07 0.100000E-04    0.999737E+00
  28    0.145603E-04    0.321434E+03 -0.452978E-07 0.100000E-04    0.997781E+00
  29    0.161767E-04    0.320287E+03 -0.505068E-07 0.100000E-04    0.985892E+00
  30   -0.250662E-04    0.311895E+03  0.803673E-07 0.100000E-04    0.998237E+00
  31   -0.173230E-04    0.303510E+03  0.570755E-07 0.100000E-04    0.993486E+00
  32   -0.751286E-05    0.288903E+03  0.260047E-07 0.100000E-04    0.988172E+00
  33    0.129912E-04    0.278618E+03 -0.466271E-07 0.100000E-04    0.997212E+00
  34    0.126523E-04    0.270919E+03 -0.467013E-07 0.100000E-04    0.993749E+00
  35    0.242960E-04    0.267174E+03 -0.909368E-07 0.100000E-04    0.997927E+00
  36    0.196947E-04    0.264447E+03 -0.744751E-07 0.100000E-04    0.993262E+00
  37   -0.195589E-04    0.260117E+03  0.751927E-07 0.100000E-04    0.998756E+00
  38    0.704758E-06    0.253941E+03 -0.277528E-08 0.100000E-04    0.886631E+00
  39   -0.203214E-04    0.242118E+03  0.839321E-07 0.100000E-04    0.999229E+00
  40   -0.164724E-04    0.238681E+03  0.690144E-07 0.100000E-04    0.985455E+00
  41   -0.419331E-04    0.234653E+03  0.178703E-06 0.100000E-04    0.995981E+00
  42   -0.141715E-04    0.228355E+03  0.620591E-07 0.100000E-04    0.988712E+00
  43   -0.165795E-04    0.219476E+03  0.755413E-07 0.100000E-04    0.993593E+00
  44   -0.291783E-04    0.214023E+03  0.136333E-06 0.100000E-04    0.991715E+00
  45    0.103413E-05    0.212514E+03 -0.486616E-08 0.100000E-04    0.999485E+00
  46    0.276029E-04    0.207219E+03 -0.133207E-06 0.100000E-04    0.994828E+00
  47   -0.297608E-04    0.203576E+03  0.146191E-06 0.100000E-04    0.998607E+00
  48    0.571554E-05    0.197265E+03 -0.289740E-07 0.100000E-04    0.998486E+00
  49   -0.269054E-04    0.195158E+03  0.137865E-06 0.100000E-04    0.996043E+00
  50    0.912813E-05    0.191475E+03 -0.476728E-07 0.100000E-04    0.987249E+00
  51   -0.171640E-04    0.183947E+03  0.933095E-07 0.100000E-04    0.998702E+00
  52    0.442429E-05    0.174737E+03 -0.253197E-07 0.100000E-04    0.992276E+00
  53    0.138376E-04    0.172027E+03 -0.804384E-07 0.100000E-04    0.999150E+00
  54    0.196513E-04    0.167589E+03 -0.117259E-06 0.100000E-04    0.997024E+00
  55   -0.209512E-04    0.164779E+03  0.127147E-06 0.100000E-04    0.997727E+00
  56   -0.603694E-05    0.158647E+03  0.380528E-07 0.100000E-04    0.985630E+00
  57   -0.118734E-04    0.154132E+03  0.770338E-07 0.100000E-04    0.999190E+00
  58    0.252775E-04    0.151522E+03 -0.166824E-06 0.100000E-04    0.998069E+00
  59   -0.290382E-05    0.148370E+03  0.195714E-07 0.100000E-04    0.967478E+00
  60    0.235522E-04    0.143344E+03 -0.164305E-06 0.100000E-04    0.999793E+00
  61   -0.308645E-04    0.137209E+03  0.224945E-06 0.100000E-04    0.999761E+00
  62   -0.280904E-04    0.135892E+03  0.206711E-06 0.100000E-04    0.997741E+00
  63   -0.223430E-04    0.130616E+03  0.171059E-06 0.100000E-04    0.994856E+00
  64    0.305469E-04    0.128204E+03 -0.238267E-06 0.100000E-04    0.995455E+00
  65    0.221819E-04    0.126212E+03 -0.175752E-06 0.100000E-04    0.999083E+00
  66   -0.173009E-04    0.125461E+03  0.137899E-06 0.100000E-04    0.994151E+00
  67   -0.913786E-05    0.119798E+03  0.762770E-07 0.100000E-04    0.980963E+00
  68   -0.933028E-05    0.118097E+03  0.790052E-07 0.100000E-04    0.995554E+00
  69    0.654080E-05    0.117066E+03 -0.558730E-07 0.100000E-04    0.998949E+00
  70   -0.282872E-04    0.110842E+03  0.255204E-06 0.100000E-04    0.994853E+00
  71   -0.636300E-05    0.107634E+03  0.591172E-07 0.100000E-04    0.990458E+00
  72   -0.647463E-04    0.104666E+03  0.618602E-06 0.100000E-04    0.996293E+00
  73   -0.292463E-04    0.103092E+03  0.283691E-06 0.100000E-04    0.999763E+00
  74   -0.274530E-04    0.997401E+02  0.275246E-06 0.100000E-04    0.996546E+00
  75    0.792611E-04    0.957873E+02 -0.827470E-06 0.100000E-04    0.998763E+00
  76   -0.127226E-04    0.944894E+02  0.134645E-06 0.100000E-04    0.956018E+00
  77   -0.519889E-04    0.933238E+02  0.557081E-06 0.100000E-04    0.993022E+00
  78    0.683229E-05    0.906253E+02 -0.753905E-07 0.100000E-04    0.993590E+00
  79   -0.851168E-05    0.895510E+02  0.950484E-07 0.100000E-04    0.996742E+00
  80   -0.221687E-04    0.850843E+02  0.260550E-06 0.100000E-04    0.998244E+00
  81    0.237618E-04    0.809055E+02 -0.293699E-06 0.100000E-04    0.995920E+00
  82    0.701779E-05    0.798845E+02 -0.878493E-07 0.100000E-04    0.968480E+00
  83    0.160377E-04    0.782540E+02 -0.204944E-06 0.100000E-04    0.995773E+00
  84    0.457190E-04    0.728537E+02 -0.627545E-06 0.100000E-04    0.997562E+00
  85    0.415603E-04    0.723670E+02 -0.574299E-06 0.100000E-04    0.993463E+00
  86    0.967798E-05    0.682629E+02 -0.141775E-06 0.100000E-04    0.987868E+00
  87   -0.439643E-04    0.661648E+02  0.664467E-06 0.100000E-04    0.997278E+00
  88    0.780652E-05    0.630585E+02 -0.123798E-06 0.100000E-04    0.968767E+00
  89    0.311280E-04    0.599607E+02 -0.519140E-06 0.100000E-04    0.970563E+00
  90    0.585325E-04    0.596715E+02 -0.980912E-06 0.100000E-04    0.994433E+00
  91   -0.142123E-04    0.590664E+02  0.240616E-06 0.100000E-04    0.981443E+00
  92   -0.622356E-04    0.560488E+02  0.111038E-05 0.100000E-04    0.999628E+00
  93   -0.200045E-04    0.526853E+02  0.379697E-06 0.100000E-04    0.981523E+00
  94    0.519368E-04    0.523104E+02 -0.992857E-06 0.100000E-04    0.997105E+00
  95    0.192405E-04    0.500417E+02 -0.384490E-06 0.100000E-04    0.992277E+00
  96    0.382652E-05    0.473847E+02 -0.807543E-07 0.100000E-04    0.994639E+00
  97   -0.431211E-04    0.428694E+02  0.100587E-05 0.100000E-04    0.993347E+00
  98    0.483868E-04    0.404724E+02 -0.119555E-05 0.100000E-04    0.999701E+00
  99    0.124773E-03    0.375562E+02 -0.332231E-05 0.100000E-04    0.997120E+00
 100   -0.922246E-04    0.362593E+02  0.254347E-05 0.100000E-04    0.994737E+00
 101    0.246380E-04    0.342256E+02 -0.719872E-06 0.100000E-04    0.991172E+00
 102   -0.102705E-03    0.288018E+02  0.356592E-05 0.100000E-04    0.999557E+00
 103   -0.302548E-04    0.286120E+02  0.105742E-05 0.100000E-04    0.984879E+00
 104   -0.100834E-03    0.272323E+02  0.370273E-05 0.100000E-04    0.991917E+00
 105   -0.623518E-04    0.230469E+02  0.270543E-05 0.100000E-04    0.996190E+00
 106   -0.240452E-04    0.211747E+02  0.113557E-05 0.100000E-04    0.987452E+00
 107    0.989431E-04    0.205439E+02 -0.481618E-05 0.100000E-04    0.988728E+00
 108    0.569261E-05    0.167951E+02 -0.338945E-06 0.100000E-04    0.891835E+00
 109   -0.711467E-04    0.138045E+02  0.515387E-05 0.100000E-04    0.990157E+00
 110   -0.855423E-02    0.122413E+02  0.100000E-04 0.100000E-04    0.443674E+00
 111    0.255576E-02    0.993988E+01 -0.100000E-04 0.100000E-04    0.681670E+00
 112    0.935644E-02    0.873436E+01 -0.135474E-04 0.135474E-04    0.181029E+00
 113   -0.246411E-01    0.690611E+01  0.190371E-04 0.190371E-04    0.225644E+00
 114   -0.708451E+00    0.406241E+01 -0.400000E-03 0.400000E-03    0.811180E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1693882147    

 Beginning of optimization cycle  364.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3471946097
 potential> RMS force:                                               0.0665549472   |gradient|=.7106123792    
 Eigenvalues of the Hessian matrix:
   735.61235    673.87585    627.38983    603.82749    587.92353    572.96162 
   567.06214    483.83287    464.22845    461.07294    441.45545    429.41759 
   421.96094    408.21616    397.21415    388.76939    368.18063    361.44693 
   350.58277    335.61083    326.40989    321.43534    320.28441    311.87434 
   303.49552    288.91325    278.61329    270.92578    267.18244    264.45236 
   260.13375    253.94101    242.11331    238.69366    234.64079    228.34956 
   219.45468    214.03026    212.52046    207.21586    203.57559    197.25652 
   195.15399    191.47305    183.93765    174.72756    172.03255    167.59023 
   164.77054    158.63555    154.13733    151.52780    148.36130    143.34642 
   137.21212    135.89403    130.61468    128.20900    126.21545    125.45706 
   119.80010    118.09784    117.06673    110.83639    107.62671    104.66279 
   103.09189     99.73909     95.78540     94.47684     93.33528     90.62932 
    89.54547     85.08723     80.90513     79.88665     78.25288     72.85625 
    72.37162     68.26221     66.15290     63.05304     59.95804     59.66748 
    59.06571     56.04898     52.68267     52.31100     50.04080     47.37940 
    42.86948     40.47502     37.56026     36.26202     34.21336     28.80142 
    28.61071     27.22445     23.04893     21.16840     20.54778     16.79436 
    13.80502     12.24118      9.94133      8.72940      6.89836      4.05712 
overlap for current and previous eigenvector    109 is        -0.9999997265
overlap for current and previous eigenvector    110 is        -0.9999995784
overlap for current and previous eigenvector    111 is         0.9999993578
overlap for current and previous eigenvector    112 is        -0.9999950191
overlap for current and previous eigenvector    113 is         0.9999954292
overlap for current and previous eigenvector    114 is         0.9999997226
J1,K1,R1,R2,RAT=   7   7   -0.6878712191E-02     2.006705864        0.9931212878    
FOB,PFOB,DIAG,PSTEP=   -0.5315042477E-05   -0.5278728485E-05     735.6123547        0.7176585192E-08
J1,K1,R1,R2,RAT=   8   8    0.2258052411E-02     1.997717683        0.9977176825    
FOB,PFOB,DIAG,PSTEP=   -0.5465176007E-05   -0.5477544741E-05     673.8758529        0.8128516809E-08
J1,K1,R1,R2,RAT=   9   9   -0.1532450050E-01     2.015284392        0.9846754995    
FOB,PFOB,DIAG,PSTEP=   -0.6834468841E-06   -0.6731312767E-06     627.3898263        0.1072929059E-08
J1,K1,R1,R2,RAT=  10  10   -0.2087777528E-01     2.020914784        0.9791222247    
FOB,PFOB,DIAG,PSTEP=    0.2265784415E-05    0.2219448133E-05     603.8274890       -0.3675564801E-08
J1,K1,R1,R2,RAT=  11  11   -0.6291343733E-02     2.006324370        0.9937086563    
FOB,PFOB,DIAG,PSTEP=   -0.1607916485E-05   -0.1597863940E-05     587.9235271        0.2717764268E-08
J1,K1,R1,R2,RAT= 109 109     2.000672466       -0.7437979490E-03    0.9992562021    
FOB,PFOB,DIAG,PSTEP=    0.7119959538E-04   -0.7114667474E-04     13.80501784        0.5153866019E-05
J1,K1,R1,R2,RAT= 110 110     140.3320499       -0.5704531492        0.4295468508    
FOB,PFOB,DIAG,PSTEP=    0.8624063261E-02   -0.8554233074E-02     12.24117822        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3174706375         51.09929510        0.6825293625    
FOB,PFOB,DIAG,PSTEP=    0.2524195399E-02    0.2555756215E-02     9.941334033       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     158.8922718       -0.6584980881        0.3415019119    
FOB,PFOB,DIAG,PSTEP=   -0.9434314941E-02    0.9356440314E-02     8.729398864       -0.1354743649E-04
J1,K1,R1,R2,RAT= 113 113   -0.9350510622         376.2051690        0.6494893781E-01
FOB,PFOB,DIAG,PSTEP=   -0.2476389030E-01   -0.2464109511E-01     6.898358610        0.1903707626E-04
J1,K1,R1,R2,RAT= 114 114    0.9919483925        -874.0888775        0.8051607528E-02
FOB,PFOB,DIAG,PSTEP=   -0.7100611427       -0.7084513622         4.057117478       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
    -0.00002     -0.00001     -0.00001      0.00003     -0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002      0.00002 
     0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00007 
    -0.00003     -0.00003      0.00008     -0.00001     -0.00005      0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001      0.00002      0.00005 
    -0.00004     -0.00001     -0.00004      0.00001     -0.00003      0.00006 
    -0.00001     -0.00006     -0.00002      0.00005      0.00002      0.00000 
     0.00004      0.00005      0.00013      0.00009     -0.00003     -0.00010 
    -0.00003     -0.00010      0.00006      0.00003     -0.00010     -0.00001 
     0.00007      0.00862      0.00252     -0.00943     -0.02476     -0.71006 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4201362307
 Log product of positive Hessian eigenvalues =          519.6828197270
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0571174779
 Unscaled step for mode    7=        0.0000000072
 Unscaled step for mode    8=        0.0000000081
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000063
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=        0.0000000002
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000145
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000416
 Unscaled step for mode   20=       -0.0000000165
 Unscaled step for mode   21=       -0.0000000168
 Unscaled step for mode   22=        0.0000000224
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000083
 Unscaled step for mode   25=        0.0000000611
 Unscaled step for mode   26=        0.0000001026
 Unscaled step for mode   27=        0.0000000527
 Unscaled step for mode   28=       -0.0000000453
 Unscaled step for mode   29=       -0.0000000513
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000572
 Unscaled step for mode   32=        0.0000000262
 Unscaled step for mode   33=       -0.0000000469
 Unscaled step for mode   34=       -0.0000000471
 Unscaled step for mode   35=       -0.0000000908
 Unscaled step for mode   36=       -0.0000000747
 Unscaled step for mode   37=        0.0000000754
 Unscaled step for mode   38=       -0.0000000030
 Unscaled step for mode   39=        0.0000000842
 Unscaled step for mode   40=        0.0000000698
 Unscaled step for mode   41=        0.0000001791
 Unscaled step for mode   42=        0.0000000622
 Unscaled step for mode   43=        0.0000000757
 Unscaled step for mode   44=        0.0000001367
 Unscaled step for mode   45=       -0.0000000053
 Unscaled step for mode   46=       -0.0000001337
 Unscaled step for mode   47=        0.0000001459
 Unscaled step for mode   48=       -0.0000000292
 Unscaled step for mode   49=       -0.0000001378
 Unscaled step for mode   50=       -0.0000000485
 Unscaled step for mode   51=        0.0000000932
 Unscaled step for mode   52=        0.0000000254
 Unscaled step for mode   53=       -0.0000000807
 Unscaled step for mode   54=       -0.0000001174
 Unscaled step for mode   55=        0.0000001272
 Unscaled step for mode   56=        0.0000000384
 Unscaled step for mode   57=        0.0000000775
 Unscaled step for mode   58=       -0.0000001670
 Unscaled step for mode   59=        0.0000000202
 Unscaled step for mode   60=        0.0000001644
 Unscaled step for mode   61=        0.0000002267
 Unscaled step for mode   62=        0.0000002065
 Unscaled step for mode   63=       -0.0000001719
 Unscaled step for mode   64=        0.0000002394
 Unscaled step for mode   65=        0.0000001772
 Unscaled step for mode   66=       -0.0000001375
 Unscaled step for mode   67=       -0.0000000763
 Unscaled step for mode   68=        0.0000000792
 Unscaled step for mode   69=       -0.0000000565
 Unscaled step for mode   70=        0.0000002547
 Unscaled step for mode   71=       -0.0000000592
 Unscaled step for mode   72=       -0.0000006220
 Unscaled step for mode   73=        0.0000002842
 Unscaled step for mode   74=        0.0000002758
 Unscaled step for mode   75=       -0.0000008290
 Unscaled step for mode   76=        0.0000001408
 Unscaled step for mode   77=        0.0000005547
 Unscaled step for mode   78=       -0.0000000754
 Unscaled step for mode   79=        0.0000000955
 Unscaled step for mode   80=        0.0000002599
 Unscaled step for mode   81=        0.0000002945
 Unscaled step for mode   82=        0.0000000883
 Unscaled step for mode   83=       -0.0000002032
 Unscaled step for mode   84=       -0.0000006325
 Unscaled step for mode   85=        0.0000005759
 Unscaled step for mode   86=        0.0000001446
 Unscaled step for mode   87=        0.0000006655
 Unscaled step for mode   88=       -0.0000001256
 Unscaled step for mode   89=        0.0000005019
 Unscaled step for mode   90=       -0.0000009935
 Unscaled step for mode   91=        0.0000002490
 Unscaled step for mode   92=        0.0000011075
 Unscaled step for mode   93=        0.0000003761
 Unscaled step for mode   94=       -0.0000009982
 Unscaled step for mode   95=       -0.0000003870
 Unscaled step for mode   96=       -0.0000000755
 Unscaled step for mode   97=       -0.0000010146
 Unscaled step for mode   98=       -0.0000012021
 Unscaled step for mode   99=       -0.0000033337
 Unscaled step for mode  100=       -0.0000025368
 Unscaled step for mode  101=        0.0000007362
 Unscaled step for mode  102=        0.0000035797
 Unscaled step for mode  103=        0.0000010672
 Unscaled step for mode  104=        0.0000037432
 Unscaled step for mode  105=       -0.0000027123
 Unscaled step for mode  106=       -0.0000012236
 Unscaled step for mode  107=        0.0000047591
 Unscaled step for mode  108=        0.0000003917
 Unscaled step for mode  109=       -0.0000051575
 Unscaled step for mode  110=       -0.0007045122
 Unscaled step for mode  111=       -0.0002539091
 Unscaled step for mode  112=        0.0010807507
 Unscaled step for mode  113=        0.0035897773
 Unscaled step for mode  114=       -0.1699605455
 Largest modulus ratio of non-zero e/values=           181.3140385    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.653774E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.496022E-15    0.100702E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.622127E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.861290E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.307005E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.242102E-15    0.973954E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.531504E-05    0.735612E+03  0.722533E-08 0.100000E-04    0.993121E+00
   8   -0.546518E-05    0.673876E+03  0.811006E-08 0.100000E-04    0.997718E+00
   9   -0.683447E-06    0.627390E+03  0.108935E-08 0.100000E-04    0.984675E+00
  10    0.226578E-05    0.603827E+03 -0.375237E-08 0.100000E-04    0.979122E+00
  11   -0.160792E-05    0.587924E+03  0.273491E-08 0.100000E-04    0.993709E+00
  12   -0.360353E-05    0.572962E+03  0.628931E-08 0.100000E-04    0.997511E+00
  13   -0.358127E-05    0.567062E+03  0.631548E-08 0.100000E-04    0.992785E+00
  14   -0.119607E-06    0.483833E+03  0.247208E-09 0.100000E-04    0.834595E+00
  15    0.186127E-05    0.464228E+03 -0.400938E-08 0.100000E-04    0.989653E+00
  16    0.668714E-05    0.461073E+03 -0.145034E-07 0.100000E-04    0.994672E+00
  17    0.462403E-05    0.441455E+03 -0.104745E-07 0.100000E-04    0.991097E+00
  18    0.494027E-05    0.429418E+03 -0.115046E-07 0.100000E-04    0.998023E+00
  19   -0.175346E-04    0.421961E+03  0.415550E-07 0.100000E-04    0.996615E+00
  20    0.672050E-05    0.408216E+03 -0.164631E-07 0.100000E-04    0.999645E+00
  21    0.667775E-05    0.397214E+03 -0.168115E-07 0.100000E-04    0.999495E+00
  22   -0.871525E-05    0.388769E+03  0.224175E-07 0.100000E-04    0.993501E+00
  23    0.894723E-06    0.368181E+03 -0.243012E-08 0.100000E-04    0.971569E+00
  24   -0.299494E-05    0.361447E+03  0.828598E-08 0.100000E-04    0.987428E+00
  25   -0.214077E-04    0.350583E+03  0.610631E-07 0.100000E-04    0.998155E+00
  26   -0.344420E-04    0.335611E+03  0.102625E-06 0.100000E-04    0.997785E+00
  27   -0.172126E-04    0.326410E+03  0.527332E-07 0.100000E-04    0.999337E+00
  28    0.145574E-04    0.321435E+03 -0.452887E-07 0.100000E-04    0.999795E+00
  29    0.164362E-04    0.320284E+03 -0.513176E-07 0.100000E-04    0.983954E+00
  30   -0.250045E-04    0.311874E+03  0.801748E-07 0.100000E-04    0.997538E+00
  31   -0.173550E-04    0.303496E+03  0.571838E-07 0.100000E-04    0.998150E+00
  32   -0.756664E-05    0.288913E+03  0.261900E-07 0.100000E-04    0.992842E+00
  33    0.130798E-04    0.278613E+03 -0.469462E-07 0.100000E-04    0.993173E+00
  34    0.127587E-04    0.270926E+03 -0.470931E-07 0.100000E-04    0.991588E+00
  35    0.242597E-04    0.267182E+03 -0.907984E-07 0.100000E-04    0.998448E+00
  36    0.197466E-04    0.264452E+03 -0.746699E-07 0.100000E-04    0.997363E+00
  37   -0.196078E-04    0.260134E+03  0.753757E-07 0.100000E-04    0.997500E+00
  38    0.761590E-06    0.253941E+03 -0.299908E-08 0.100000E-04    0.919361E+00
  39   -0.203762E-04    0.242113E+03  0.841597E-07 0.100000E-04    0.997306E+00
  40   -0.166526E-04    0.238694E+03  0.697657E-07 0.100000E-04    0.989060E+00
  41   -0.420160E-04    0.234641E+03  0.179065E-06 0.100000E-04    0.998022E+00
  42   -0.142146E-04    0.228350E+03  0.622493E-07 0.100000E-04    0.996959E+00
  43   -0.166035E-04    0.219455E+03  0.756582E-07 0.100000E-04    0.998548E+00
  44   -0.292588E-04    0.214030E+03  0.136704E-06 0.100000E-04    0.997240E+00
  45    0.113165E-05    0.212520E+03 -0.532488E-08 0.100000E-04    0.905702E+00
  46    0.276958E-04    0.207216E+03 -0.133657E-06 0.100000E-04    0.996634E+00
  47   -0.297044E-04    0.203576E+03  0.145913E-06 0.100000E-04    0.998102E+00
  48    0.575823E-05    0.197257E+03 -0.291916E-07 0.100000E-04    0.992530E+00
  49    0.269019E-04    0.195154E+03 -0.137849E-06 0.100000E-04    0.999869E+00
  50    0.929204E-05    0.191473E+03 -0.485292E-07 0.100000E-04    0.982044E+00
  51   -0.171505E-04    0.183938E+03  0.932409E-07 0.100000E-04    0.999212E+00
  52   -0.444413E-05    0.174728E+03  0.254346E-07 0.100000E-04    0.995515E+00
  53    0.138776E-04    0.172033E+03 -0.806687E-07 0.100000E-04    0.997108E+00
  54    0.196830E-04    0.167590E+03 -0.117447E-06 0.100000E-04    0.998385E+00
  55   -0.209663E-04    0.164771E+03  0.127246E-06 0.100000E-04    0.999277E+00
  56   -0.608675E-05    0.158636E+03  0.383694E-07 0.100000E-04    0.991750E+00
  57   -0.119527E-04    0.154137E+03  0.775456E-07 0.100000E-04    0.993324E+00
  58    0.253111E-04    0.151528E+03 -0.167039E-06 0.100000E-04    0.998673E+00
  59   -0.300205E-05    0.148361E+03  0.202347E-07 0.100000E-04    0.966170E+00
  60   -0.235603E-04    0.143346E+03  0.164359E-06 0.100000E-04    0.999658E+00
  61   -0.311006E-04    0.137212E+03  0.226661E-06 0.100000E-04    0.992348E+00
  62   -0.280601E-04    0.135894E+03  0.206485E-06 0.100000E-04    0.998895E+00
  63    0.224548E-04    0.130615E+03 -0.171917E-06 0.100000E-04    0.994996E+00
  64   -0.306961E-04    0.128209E+03  0.239423E-06 0.100000E-04    0.995114E+00
  65   -0.223607E-04    0.126215E+03  0.177163E-06 0.100000E-04    0.991941E+00
  66    0.172473E-04    0.125457E+03 -0.137476E-06 0.100000E-04    0.996902E+00
  67    0.913817E-05    0.119800E+03 -0.762785E-07 0.100000E-04    0.999966E+00
  68   -0.934778E-05    0.118098E+03  0.791529E-07 0.100000E-04    0.998124E+00
  69    0.661932E-05    0.117067E+03 -0.565431E-07 0.100000E-04    0.987996E+00
  70   -0.282308E-04    0.110836E+03  0.254707E-06 0.100000E-04    0.998006E+00
  71    0.637333E-05    0.107627E+03 -0.592170E-07 0.100000E-04    0.998377E+00
  72    0.651014E-04    0.104663E+03 -0.622011E-06 0.100000E-04    0.994515E+00
  73   -0.292958E-04    0.103092E+03  0.284172E-06 0.100000E-04    0.998306E+00
  74   -0.275059E-04    0.997391E+02  0.275778E-06 0.100000E-04    0.998076E+00
  75    0.794074E-04    0.957854E+02 -0.829013E-06 0.100000E-04    0.998154E+00
  76   -0.133023E-04    0.944768E+02  0.140800E-06 0.100000E-04    0.954426E+00
  77   -0.517717E-04    0.933353E+02  0.554685E-06 0.100000E-04    0.995576E+00
  78    0.683553E-05    0.906293E+02 -0.754229E-07 0.100000E-04    0.999525E+00
  79   -0.855422E-05    0.895455E+02  0.955294E-07 0.100000E-04    0.995002E+00
  80   -0.221170E-04    0.850872E+02  0.259933E-06 0.100000E-04    0.997599E+00
  81   -0.238268E-04    0.809051E+02  0.294503E-06 0.100000E-04    0.997265E+00
  82   -0.705455E-05    0.798867E+02  0.883070E-07 0.100000E-04    0.994763E+00
  83    0.158995E-04    0.782529E+02 -0.203181E-06 0.100000E-04    0.991384E+00
  84    0.460828E-04    0.728563E+02 -0.632517E-06 0.100000E-04    0.992044E+00
  85   -0.416753E-04    0.723716E+02  0.575852E-06 0.100000E-04    0.997232E+00
  86   -0.987265E-05    0.682622E+02  0.144628E-06 0.100000E-04    0.979885E+00
  87   -0.440240E-04    0.661529E+02  0.665488E-06 0.100000E-04    0.998643E+00
  88    0.792152E-05    0.630530E+02 -0.125633E-06 0.100000E-04    0.985267E+00
  89   -0.300948E-04    0.599580E+02  0.501931E-06 0.100000E-04    0.966805E+00
  90    0.592768E-04    0.596675E+02 -0.993452E-06 0.100000E-04    0.987283E+00
  91   -0.147068E-04    0.590657E+02  0.248990E-06 0.100000E-04    0.965210E+00
  92   -0.620764E-04    0.560490E+02  0.110754E-05 0.100000E-04    0.997435E+00
  93   -0.198149E-04    0.526827E+02  0.376119E-06 0.100000E-04    0.990526E+00
  94    0.522158E-04    0.523110E+02 -0.998180E-06 0.100000E-04    0.994628E+00
  95    0.193648E-04    0.500408E+02 -0.386980E-06 0.100000E-04    0.993540E+00
  96    0.357660E-05    0.473794E+02 -0.754885E-07 0.100000E-04    0.934680E+00
  97    0.434960E-04    0.428695E+02 -0.101462E-05 0.100000E-04    0.991304E+00
  98    0.486547E-04    0.404750E+02 -0.120209E-05 0.100000E-04    0.994464E+00
  99    0.125216E-03    0.375603E+02 -0.333373E-05 0.100000E-04    0.996454E+00
 100    0.919888E-04    0.362620E+02 -0.253678E-05 0.100000E-04    0.997293E+00
 101   -0.251872E-04    0.342134E+02  0.736179E-06 0.100000E-04    0.977704E+00
 102   -0.103100E-03    0.288014E+02  0.357968E-05 0.100000E-04    0.996153E+00
 103   -0.305339E-04    0.286107E+02  0.106722E-05 0.100000E-04    0.990777E+00
 104   -0.101906E-03    0.272245E+02  0.374318E-05 0.100000E-04    0.989365E+00
 105    0.625152E-04    0.230489E+02 -0.271228E-05 0.100000E-04    0.997379E+00
 106    0.259017E-04    0.211684E+02 -0.122360E-05 0.100000E-04    0.922771E+00
 107   -0.977891E-04    0.205478E+02  0.475911E-05 0.100000E-04    0.987961E+00
 108   -0.657850E-05    0.167944E+02  0.391709E-06 0.100000E-04    0.844373E+00
 109    0.711996E-04    0.138050E+02 -0.515752E-05 0.100000E-04    0.999256E+00
 110    0.862406E-02    0.122412E+02 -0.100000E-04 0.100000E-04    0.429547E+00
 111    0.252420E-02    0.994133E+01 -0.100000E-04 0.100000E-04    0.682529E+00
 112   -0.943431E-02    0.872940E+01  0.122049E-04 0.122049E-04    0.341502E+00
 113   -0.247639E-01    0.689836E+01  0.207504E-04 0.207504E-04    0.649489E-01
 114   -0.710061E+00    0.405712E+01 -0.400000E-03 0.400000E-03    0.805161E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1699605455    

 Beginning of optimization cycle  365.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3469109997
 potential> RMS force:                                               0.0667059410   |gradient|=.7122245523    
 Eigenvalues of the Hessian matrix:
   735.67597    673.88381    627.40236    603.81648    587.91369    573.00448 
   567.06466    483.85917    464.20516    461.06668    441.45764    429.41058 
   421.96403    408.22255    397.20907    388.76693    368.18930    361.43858 
   350.57537    335.59729    326.42481    321.43633    320.28169    311.85356 
   303.48122    288.92311    278.60873    270.93227    267.19077    264.45800 
   260.15097    253.94106    242.10891    238.70680    234.62880    228.34420 
   219.43381    214.03782    212.52710    207.21310    203.57554    197.24844 
   195.15037    191.47137    183.92788    174.71780    172.03757    167.59202 
   164.76227    158.62441    154.14246    151.53365    148.35210    143.34857 
   137.21557    135.89570    130.61314    128.21363    126.21911    125.45269 
   119.80179    118.09861    117.06789    110.83102    107.61974    104.66001 
   103.09166     99.73807     95.78360     94.46413     93.34671     90.63334 
    89.53988     85.09019     80.90479     79.88886     78.25170     72.85874 
    72.37621     68.26143     66.14106     63.04745     59.95551     59.66328 
    59.06492     56.04912     52.68002     52.31152     50.03995     47.37400 
    42.86958     40.47765     37.56429     36.26457     34.20108     28.80107 
    28.60941     27.21654     23.05097     21.16216     20.55157     16.79360 
    13.80551     12.24105      9.94280      8.72446      6.89055      4.05182 
overlap for current and previous eigenvector    109 is        -0.9999997246
overlap for current and previous eigenvector    110 is        -0.9999995773
overlap for current and previous eigenvector    111 is        -0.9999993614
overlap for current and previous eigenvector    112 is        -0.9999950385
overlap for current and previous eigenvector    113 is         0.9999954433
overlap for current and previous eigenvector    114 is         0.9999997222
J1,K1,R1,R2,RAT=   7   7   -0.5335029883E-02     2.005162087        0.9946649701    
FOB,PFOB,DIAG,PSTEP=   -0.5343400840E-05   -0.5315042477E-05     735.6759695        0.7225330628E-08
J1,K1,R1,R2,RAT=   8   8   -0.8751044832E-02     2.008727427        0.9912489552    
FOB,PFOB,DIAG,PSTEP=   -0.5513002573E-05   -0.5465176007E-05     673.8838107        0.8110063573E-08
J1,K1,R1,R2,RAT=   9   9   -0.1420301004E-01     2.014163059        0.9857969900    
FOB,PFOB,DIAG,PSTEP=   -0.6931540810E-06   -0.6834468841E-06     627.4023590        0.1089349644E-08
J1,K1,R1,R2,RAT=  10  10    0.1125496098E-01     1.988781500        0.9887450390    
FOB,PFOB,DIAG,PSTEP=    0.2240283565E-05    0.2265784415E-05     603.8164811       -0.3752370430E-08
J1,K1,R1,R2,RAT=  11  11   -0.7213441129E-02     2.007246910        0.9927865589    
FOB,PFOB,DIAG,PSTEP=   -0.1619514902E-05   -0.1607916485E-05     587.9136886        0.2734907536E-08
J1,K1,R1,R2,RAT= 109 109     1.994561938        0.5367103949E-02    0.9945619383    
FOB,PFOB,DIAG,PSTEP=   -0.7081744619E-04    0.7119959538E-04     13.80550764       -0.5157515637E-05
J1,K1,R1,R2,RAT= 110 110     141.4645033       -0.5604682151        0.4395317849    
FOB,PFOB,DIAG,PSTEP=   -0.8692670428E-02    0.8624063261E-02     12.24104513       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     50.45081269        0.3235206021        0.6764793979    
FOB,PFOB,DIAG,PSTEP=   -0.2492028390E-02    0.2524195399E-02     9.942800762       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     178.0518459       -0.8501565461        0.1498434539    
FOB,PFOB,DIAG,PSTEP=    0.9524840541E-02   -0.9434314941E-02     8.724456123        0.1220489774E-04
J1,K1,R1,R2,RAT= 113 113   -0.8027052662         347.1948775        0.1972947338    
FOB,PFOB,DIAG,PSTEP=   -0.2487866255E-01   -0.2476389030E-01     6.890552568        0.2075041313E-04
J1,K1,R1,R2,RAT= 114 114    0.9918340668        -877.2175735        0.8165933154E-02
FOB,PFOB,DIAG,PSTEP=   -0.7116686344       -0.7100611427         4.051816277       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
    -0.00002      0.00001     -0.00001     -0.00003      0.00000      0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002      0.00002 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001     -0.00007 
    -0.00003     -0.00003      0.00008      0.00001     -0.00005     -0.00001 
     0.00001      0.00002     -0.00002     -0.00001      0.00002      0.00005 
     0.00004      0.00001      0.00004     -0.00001      0.00003     -0.00006 
     0.00002      0.00006     -0.00002      0.00005     -0.00002     -0.00000 
    -0.00004     -0.00005      0.00012     -0.00009      0.00003     -0.00010 
    -0.00003     -0.00010      0.00006     -0.00003     -0.00010     -0.00001 
    -0.00007     -0.00869     -0.00249      0.00952     -0.02488     -0.71167 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4199539915
 Log product of positive Hessian eigenvalues =          519.6787669810
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0518162769
 Unscaled step for mode    7=        0.0000000073
 Unscaled step for mode    8=        0.0000000082
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000037
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000064
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=        0.0000000001
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000145
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000416
 Unscaled step for mode   20=       -0.0000000164
 Unscaled step for mode   21=       -0.0000000168
 Unscaled step for mode   22=        0.0000000225
 Unscaled step for mode   23=       -0.0000000025
 Unscaled step for mode   24=        0.0000000084
 Unscaled step for mode   25=        0.0000000612
 Unscaled step for mode   26=        0.0000001027
 Unscaled step for mode   27=        0.0000000528
 Unscaled step for mode   28=       -0.0000000452
 Unscaled step for mode   29=       -0.0000000519
 Unscaled step for mode   30=        0.0000000803
 Unscaled step for mode   31=        0.0000000576
 Unscaled step for mode   32=        0.0000000262
 Unscaled step for mode   33=       -0.0000000469
 Unscaled step for mode   34=       -0.0000000473
 Unscaled step for mode   35=       -0.0000000910
 Unscaled step for mode   36=       -0.0000000749
 Unscaled step for mode   37=        0.0000000755
 Unscaled step for mode   38=       -0.0000000032
 Unscaled step for mode   39=        0.0000000842
 Unscaled step for mode   40=        0.0000000704
 Unscaled step for mode   41=        0.0000001795
 Unscaled step for mode   42=        0.0000000626
 Unscaled step for mode   43=        0.0000000762
 Unscaled step for mode   44=        0.0000001375
 Unscaled step for mode   45=       -0.0000000051
 Unscaled step for mode   46=       -0.0000001342
 Unscaled step for mode   47=        0.0000001459
 Unscaled step for mode   48=       -0.0000000293
 Unscaled step for mode   49=       -0.0000001385
 Unscaled step for mode   50=       -0.0000000478
 Unscaled step for mode   51=        0.0000000937
 Unscaled step for mode   52=       -0.0000000258
 Unscaled step for mode   53=       -0.0000000809
 Unscaled step for mode   54=       -0.0000001182
 Unscaled step for mode   55=        0.0000001274
 Unscaled step for mode   56=       -0.0000000380
 Unscaled step for mode   57=        0.0000000780
 Unscaled step for mode   58=        0.0000001673
 Unscaled step for mode   59=       -0.0000000202
 Unscaled step for mode   60=       -0.0000001649
 Unscaled step for mode   61=        0.0000002268
 Unscaled step for mode   62=        0.0000002058
 Unscaled step for mode   63=       -0.0000001709
 Unscaled step for mode   64=        0.0000002406
 Unscaled step for mode   65=        0.0000001775
 Unscaled step for mode   66=       -0.0000001361
 Unscaled step for mode   67=        0.0000000771
 Unscaled step for mode   68=       -0.0000000791
 Unscaled step for mode   69=        0.0000000564
 Unscaled step for mode   70=        0.0000002562
 Unscaled step for mode   71=       -0.0000000594
 Unscaled step for mode   72=        0.0000006230
 Unscaled step for mode   73=        0.0000002847
 Unscaled step for mode   74=        0.0000002745
 Unscaled step for mode   75=       -0.0000008307
 Unscaled step for mode   76=       -0.0000001458
 Unscaled step for mode   77=        0.0000005517
 Unscaled step for mode   78=        0.0000000787
 Unscaled step for mode   79=       -0.0000000944
 Unscaled step for mode   80=       -0.0000002607
 Unscaled step for mode   81=        0.0000002950
 Unscaled step for mode   82=        0.0000000912
 Unscaled step for mode   83=       -0.0000002051
 Unscaled step for mode   84=       -0.0000006334
 Unscaled step for mode   85=       -0.0000005721
 Unscaled step for mode   86=       -0.0000001475
 Unscaled step for mode   87=       -0.0000006665
 Unscaled step for mode   88=        0.0000001259
 Unscaled step for mode   89=       -0.0000004889
 Unscaled step for mode   90=        0.0000009998
 Unscaled step for mode   91=       -0.0000002546
 Unscaled step for mode   92=       -0.0000011104
 Unscaled step for mode   93=        0.0000003685
 Unscaled step for mode   94=       -0.0000009981
 Unscaled step for mode   95=        0.0000003798
 Unscaled step for mode   96=        0.0000000741
 Unscaled step for mode   97=        0.0000010102
 Unscaled step for mode   98=        0.0000012042
 Unscaled step for mode   99=       -0.0000033266
 Unscaled step for mode  100=        0.0000025346
 Unscaled step for mode  101=       -0.0000007323
 Unscaled step for mode  102=        0.0000035760
 Unscaled step for mode  103=        0.0000010779
 Unscaled step for mode  104=        0.0000037386
 Unscaled step for mode  105=       -0.0000027265
 Unscaled step for mode  106=        0.0000012015
 Unscaled step for mode  107=        0.0000047777
 Unscaled step for mode  108=        0.0000003862
 Unscaled step for mode  109=        0.0000051297
 Unscaled step for mode  110=        0.0007101245
 Unscaled step for mode  111=        0.0002506364
 Unscaled step for mode  112=       -0.0010917390
 Unscaled step for mode  113=        0.0036104997
 Unscaled step for mode  114=       -0.1705338976
 Largest modulus ratio of non-zero e/values=           181.5669614    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.788649E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.681529E-15    0.100702E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.992038E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.112268E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.146541E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.316126E-15    0.973956E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.534340E-05    0.735676E+03  0.726325E-08 0.100000E-04    0.994665E+00
   8   -0.551300E-05    0.673884E+03  0.818094E-08 0.100000E-04    0.991249E+00
   9   -0.693154E-06    0.627402E+03  0.110480E-08 0.100000E-04    0.985797E+00
  10    0.224028E-05    0.603816E+03 -0.371021E-08 0.100000E-04    0.988745E+00
  11   -0.161951E-05    0.587914E+03  0.275468E-08 0.100000E-04    0.992787E+00
  12   -0.366345E-05    0.573004E+03  0.639340E-08 0.100000E-04    0.983375E+00
  13   -0.361403E-05    0.567065E+03  0.637322E-08 0.100000E-04    0.990852E+00
  14   -0.609575E-07    0.483859E+03  0.125982E-09 0.100000E-04    0.509565E+00
  15    0.189247E-05    0.464205E+03 -0.407679E-08 0.100000E-04    0.983238E+00
  16    0.669274E-05    0.461067E+03 -0.145158E-07 0.100000E-04    0.999163E+00
  17    0.460683E-05    0.441458E+03 -0.104355E-07 0.100000E-04    0.996270E+00
  18    0.495858E-05    0.429411E+03 -0.115474E-07 0.100000E-04    0.996294E+00
  19   -0.175581E-04    0.421964E+03  0.416103E-07 0.100000E-04    0.998660E+00
  20    0.668606E-05    0.408223E+03 -0.163785E-07 0.100000E-04    0.994844E+00
  21    0.665412E-05    0.397209E+03 -0.167522E-07 0.100000E-04    0.996461E+00
  22   -0.873291E-05    0.388767E+03  0.224631E-07 0.100000E-04    0.997973E+00
  23    0.924744E-06    0.368189E+03 -0.251160E-08 0.100000E-04    0.966447E+00
  24   -0.302110E-05    0.361439E+03  0.835854E-08 0.100000E-04    0.991266E+00
  25   -0.214631E-04    0.350575E+03  0.612226E-07 0.100000E-04    0.997408E+00
  26   -0.344678E-04    0.335597E+03  0.102706E-06 0.100000E-04    0.999249E+00
  27   -0.172496E-04    0.326425E+03  0.528440E-07 0.100000E-04    0.997853E+00
  28    0.145381E-04    0.321436E+03 -0.452285E-07 0.100000E-04    0.998668E+00
  29    0.166211E-04    0.320282E+03 -0.518952E-07 0.100000E-04    0.988753E+00
  30   -0.250365E-04    0.311854E+03  0.802828E-07 0.100000E-04    0.998720E+00
  31   -0.174839E-04    0.303481E+03  0.576110E-07 0.100000E-04    0.992577E+00
  32   -0.757903E-05    0.288923E+03  0.262320E-07 0.100000E-04    0.998362E+00
  33    0.130670E-04    0.278609E+03 -0.469010E-07 0.100000E-04    0.999020E+00
  34    0.128026E-04    0.270932E+03 -0.472540E-07 0.100000E-04    0.996560E+00
  35    0.243014E-04    0.267191E+03 -0.909515E-07 0.100000E-04    0.998282E+00
  36    0.198044E-04    0.264458E+03 -0.748866E-07 0.100000E-04    0.997076E+00
  37   -0.196508E-04    0.260151E+03  0.755361E-07 0.100000E-04    0.997806E+00
  38    0.810845E-06    0.253941E+03 -0.319304E-08 0.100000E-04    0.935326E+00
  39   -0.203966E-04    0.242109E+03  0.842456E-07 0.100000E-04    0.998997E+00
  40   -0.167958E-04    0.238707E+03  0.703614E-07 0.100000E-04    0.991406E+00
  41   -0.421231E-04    0.234629E+03  0.179531E-06 0.100000E-04    0.997452E+00
  42   -0.142924E-04    0.228344E+03  0.625914E-07 0.100000E-04    0.994527E+00
  43   -0.167207E-04    0.219434E+03  0.761994E-07 0.100000E-04    0.992942E+00
  44   -0.294197E-04    0.214038E+03  0.137451E-06 0.100000E-04    0.994504E+00
  45    0.108256E-05    0.212527E+03 -0.509374E-08 0.100000E-04    0.956562E+00
  46    0.278113E-04    0.207213E+03 -0.134216E-06 0.100000E-04    0.995830E+00
  47   -0.297059E-04    0.203576E+03  0.145921E-06 0.100000E-04    0.999950E+00
  48    0.578198E-05    0.197248E+03 -0.293132E-07 0.100000E-04    0.995876E+00
  49    0.270297E-04    0.195150E+03 -0.138507E-06 0.100000E-04    0.995250E+00
  50    0.915589E-05    0.191471E+03 -0.478186E-07 0.100000E-04    0.985348E+00
  51   -0.172347E-04    0.183928E+03  0.937033E-07 0.100000E-04    0.995093E+00
  52    0.450314E-05    0.174718E+03 -0.257738E-07 0.100000E-04    0.986721E+00
  53    0.139123E-04    0.172038E+03 -0.808678E-07 0.100000E-04    0.997502E+00
  54    0.198016E-04    0.167592E+03 -0.118153E-06 0.100000E-04    0.993975E+00
  55   -0.209862E-04    0.164762E+03  0.127373E-06 0.100000E-04    0.999052E+00
  56    0.602254E-05    0.158624E+03 -0.379673E-07 0.100000E-04    0.989451E+00
  57   -0.120170E-04    0.154142E+03  0.779605E-07 0.100000E-04    0.994615E+00
  58   -0.253477E-04    0.151534E+03  0.167274E-06 0.100000E-04    0.998554E+00
  59    0.300293E-05    0.148352E+03 -0.202419E-07 0.100000E-04    0.999706E+00
  60    0.236420E-04    0.143349E+03 -0.164927E-06 0.100000E-04    0.996530E+00
  61   -0.311224E-04    0.137216E+03  0.226814E-06 0.100000E-04    0.999300E+00
  62   -0.279643E-04    0.135896E+03  0.205778E-06 0.100000E-04    0.996561E+00
  63    0.223250E-04    0.130613E+03 -0.170924E-06 0.100000E-04    0.994217E+00
  64   -0.308500E-04    0.128214E+03  0.240614E-06 0.100000E-04    0.994986E+00
  65   -0.224006E-04    0.126219E+03  0.177474E-06 0.100000E-04    0.998214E+00
  66    0.170779E-04    0.125453E+03 -0.136130E-06 0.100000E-04    0.990176E+00
  67   -0.923532E-05    0.119802E+03  0.770883E-07 0.100000E-04    0.989369E+00
  68    0.934709E-05    0.118099E+03 -0.791465E-07 0.100000E-04    0.999912E+00
  69   -0.660698E-05    0.117068E+03  0.564372E-07 0.100000E-04    0.998117E+00
  70   -0.283931E-04    0.110831E+03  0.256184E-06 0.100000E-04    0.994250E+00
  71    0.638938E-05    0.107620E+03 -0.593700E-07 0.100000E-04    0.997480E+00
  72   -0.652077E-04    0.104660E+03  0.623043E-06 0.100000E-04    0.998369E+00
  73   -0.293467E-04    0.103092E+03  0.284666E-06 0.100000E-04    0.998263E+00
  74   -0.273763E-04    0.997381E+02  0.274482E-06 0.100000E-04    0.995289E+00
  75    0.795686E-04    0.957836E+02 -0.830712E-06 0.100000E-04    0.997970E+00
  76    0.137707E-04    0.944641E+02 -0.145777E-06 0.100000E-04    0.964788E+00
  77   -0.515023E-04    0.933467E+02  0.551731E-06 0.100000E-04    0.994552E+00
  78   -0.713395E-05    0.906333E+02  0.787122E-07 0.100000E-04    0.956345E+00
  79    0.844973E-05    0.895399E+02 -0.943684E-07 0.100000E-04    0.987784E+00
  80    0.221825E-04    0.850902E+02 -0.260694E-06 0.100000E-04    0.997038E+00
  81   -0.238681E-04    0.809048E+02  0.295015E-06 0.100000E-04    0.998268E+00
  82   -0.728864E-05    0.798889E+02  0.912347E-07 0.100000E-04    0.966818E+00
  83    0.160463E-04    0.782517E+02 -0.205060E-06 0.100000E-04    0.990770E+00
  84    0.461459E-04    0.728587E+02 -0.633361E-06 0.100000E-04    0.998632E+00
  85    0.414057E-04    0.723762E+02 -0.572090E-06 0.100000E-04    0.993404E+00
  86    0.100662E-04    0.682614E+02 -0.147466E-06 0.100000E-04    0.980390E+00
  87    0.440813E-04    0.661411E+02 -0.666474E-06 0.100000E-04    0.998699E+00
  88   -0.793565E-05    0.630474E+02  0.125868E-06 0.100000E-04    0.998216E+00
  89    0.293096E-04    0.599555E+02 -0.488855E-06 0.100000E-04    0.973907E+00
  90   -0.596527E-04    0.596633E+02  0.999824E-06 0.100000E-04    0.993657E+00
  91    0.150401E-04    0.590649E+02 -0.254636E-06 0.100000E-04    0.977338E+00
  92    0.622373E-04    0.560491E+02 -0.111041E-05 0.100000E-04    0.997409E+00
  93   -0.194152E-04    0.526800E+02  0.368549E-06 0.100000E-04    0.979824E+00
  94    0.522100E-04    0.523115E+02 -0.998060E-06 0.100000E-04    0.999870E+00
  95   -0.190030E-04    0.500399E+02  0.379757E-06 0.100000E-04    0.981317E+00
  96   -0.351168E-05    0.473740E+02  0.741267E-07 0.100000E-04    0.981846E+00
  97   -0.433059E-04    0.428696E+02  0.101018E-05 0.100000E-04    0.995624E+00
  98   -0.487427E-04    0.404777E+02  0.120419E-05 0.100000E-04    0.998191E+00
  99    0.124960E-03    0.375643E+02 -0.332656E-05 0.100000E-04    0.997741E+00
 100   -0.919144E-04    0.362646E+02  0.253455E-05 0.100000E-04    0.999051E+00
 101    0.250444E-04    0.342011E+02 -0.732269E-06 0.100000E-04    0.994329E+00
 102   -0.102992E-03    0.288011E+02  0.357599E-05 0.100000E-04    0.998957E+00
 103   -0.308388E-04    0.286094E+02  0.107793E-05 0.100000E-04    0.990012E+00
 104   -0.101752E-03    0.272165E+02  0.373860E-05 0.100000E-04    0.998484E+00
 105    0.628489E-04    0.230510E+02 -0.272652E-05 0.100000E-04    0.994662E+00
 106   -0.254256E-04    0.211622E+02  0.120146E-05 0.100000E-04    0.981613E+00
 107   -0.981895E-04    0.205516E+02  0.477771E-05 0.100000E-04    0.995906E+00
 108   -0.648618E-05    0.167936E+02  0.386229E-06 0.100000E-04    0.985966E+00
 109   -0.708174E-04    0.138055E+02  0.512965E-05 0.100000E-04    0.994562E+00
 110   -0.869267E-02    0.122410E+02  0.100000E-04 0.100000E-04    0.439532E+00
 111   -0.249203E-02    0.994280E+01  0.100000E-04 0.100000E-04    0.676479E+00
 112    0.952484E-02    0.872446E+01 -0.133033E-04 0.133033E-04    0.149843E+00
 113   -0.248787E-01    0.689055E+01  0.226180E-04 0.226180E-04    0.197295E+00
 114   -0.711669E+00    0.405182E+01 -0.400000E-03 0.400000E-03    0.816593E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1705338976    

 Beginning of optimization cycle  366.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3466268075
 potential> RMS force:                                               0.0668566799   |gradient|=.7138340031    
 Eigenvalues of the Hessian matrix:
   735.73973    673.89165    627.41510    603.80526    587.90381    573.04741 
   567.06678    483.88543    464.18179    461.06042    441.45981    429.40371 
   421.96702    408.22874    397.20393    388.76430    368.19804    361.43025 
   350.56790    335.58396    326.43986    321.43738    320.27878    311.83280 
   303.46684    288.93295    278.60428    270.93885    267.19907    264.46361 
   260.16836    253.94101    242.10450    238.72001    234.61691    228.33881 
   219.41295    214.04542    212.53375    207.21043    203.57541    197.24030 
   195.14678    191.46974    183.91817    174.70807    172.04262    167.59387 
   164.75396    158.61326    154.14761    151.53948    148.34283    143.35068 
   137.21907    135.89735    130.61157    128.21828    126.22280    125.44820 
   119.80348    118.09939    117.06903    110.82567    107.61280    104.65724 
   103.09142     99.73706     95.78185     94.45130     93.35809     90.63739 
    89.53425     85.09319     80.90447     79.89111     78.25053     72.86124 
    72.38075     68.26062     66.12920     63.04179     59.95317     59.65894 
    59.06411     56.04925     52.67740     52.31201     50.03914     47.36855 
    42.86976     40.48029     37.56830     36.26710     34.18877     28.80075 
    28.60811     27.20866     23.05301     21.15593     20.55534     16.79282 
    13.80601     12.24092      9.94426      8.71971      6.88273      4.04650 
overlap for current and previous eigenvector    109 is        -0.9999997299
overlap for current and previous eigenvector    110 is         0.9999995807
overlap for current and previous eigenvector    111 is         0.9999993810
overlap for current and previous eigenvector    112 is         0.9999952298
overlap for current and previous eigenvector    113 is         0.9999956057
overlap for current and previous eigenvector    114 is         0.9999997130
J1,K1,R1,R2,RAT=   7   7   -0.6236371262E-02     2.006063052        0.9937636287    
FOB,PFOB,DIAG,PSTEP=   -0.5376727159E-05   -0.5343400840E-05     735.7397285        0.7263253200E-08
J1,K1,R1,R2,RAT=   8   8   -0.7502127607E-02     2.007478862        0.9924978724    
FOB,PFOB,DIAG,PSTEP=   -0.5554362302E-05   -0.5513002573E-05     673.8916501        0.8180939332E-08
J1,K1,R1,R2,RAT=   9   9   -0.8908518442E-01     2.089044563        0.9109148156    
FOB,PFOB,DIAG,PSTEP=   -0.7549050944E-06   -0.6931540810E-06     627.4151024        0.1104799928E-08
J1,K1,R1,R2,RAT=  10  10    0.4242000325E-03     1.999612983        0.9995758000    
FOB,PFOB,DIAG,PSTEP=    0.2239333254E-05    0.2240283565E-05     603.8052554       -0.3710206056E-08
J1,K1,R1,R2,RAT=  11  11    0.1413217600E-01     1.985901426        0.9858678240    
FOB,PFOB,DIAG,PSTEP=   -0.1596628017E-05   -0.1619514902E-05     587.9038112        0.2754681398E-08
J1,K1,R1,R2,RAT= 109 109     2.010383428       -0.1045567364E-01    0.9895443264    
FOB,PFOB,DIAG,PSTEP=    0.7155791704E-04   -0.7081744619E-04     13.80600636        0.5129651731E-05
J1,K1,R1,R2,RAT= 110 110   -0.5504756277         142.5769349        0.4495243723    
FOB,PFOB,DIAG,PSTEP=   -0.8760053692E-02   -0.8692670428E-02     12.24091690        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3172695670         49.80266848        0.6827304330    
FOB,PFOB,DIAG,PSTEP=   -0.2460478280E-02   -0.2492028390E-02     9.944259658        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7715196374         164.9910907        0.2284803626    
FOB,PFOB,DIAG,PSTEP=    0.9614337809E-02    0.9524840541E-02     8.719712240       -0.1330333854E-04
J1,K1,R1,R2,RAT= 113 113   -0.7477754823         320.3744883        0.2522245177    
FOB,PFOB,DIAG,PSTEP=   -0.2499507118E-01   -0.2487866255E-01     6.882729655        0.2261795031E-04
J1,K1,R1,R2,RAT= 114 114    0.9914248886        -880.3548680        0.8575111398E-02
FOB,PFOB,DIAG,PSTEP=   -0.7132733543       -0.7116686344         4.046498862       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
    -0.00002      0.00001     -0.00001      0.00003     -0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002      0.00002 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001     -0.00007 
    -0.00003     -0.00003     -0.00008     -0.00001     -0.00005      0.00001 
     0.00001      0.00002     -0.00002     -0.00001      0.00002      0.00005 
     0.00004      0.00001     -0.00004      0.00001     -0.00003      0.00006 
    -0.00002     -0.00006      0.00002     -0.00005     -0.00002     -0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009      0.00002      0.00010 
     0.00003      0.00010     -0.00006     -0.00002     -0.00010     -0.00001 
     0.00007     -0.00876     -0.00246      0.00961     -0.02500     -0.71327 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4197691774
 Log product of positive Hessian eigenvalues =          519.6747258270
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0464988623
 Unscaled step for mode    7=        0.0000000073
 Unscaled step for mode    8=        0.0000000082
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=       -0.0000000037
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000066
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000000
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000145
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000416
 Unscaled step for mode   20=       -0.0000000162
 Unscaled step for mode   21=       -0.0000000166
 Unscaled step for mode   22=        0.0000000227
 Unscaled step for mode   23=       -0.0000000027
 Unscaled step for mode   24=        0.0000000086
 Unscaled step for mode   25=        0.0000000613
 Unscaled step for mode   26=        0.0000001028
 Unscaled step for mode   27=        0.0000000528
 Unscaled step for mode   28=       -0.0000000451
 Unscaled step for mode   29=       -0.0000000526
 Unscaled step for mode   30=        0.0000000805
 Unscaled step for mode   31=        0.0000000580
 Unscaled step for mode   32=        0.0000000266
 Unscaled step for mode   33=       -0.0000000470
 Unscaled step for mode   34=       -0.0000000475
 Unscaled step for mode   35=       -0.0000000912
 Unscaled step for mode   36=       -0.0000000754
 Unscaled step for mode   37=        0.0000000756
 Unscaled step for mode   38=       -0.0000000035
 Unscaled step for mode   39=        0.0000000843
 Unscaled step for mode   40=        0.0000000714
 Unscaled step for mode   41=        0.0000001803
 Unscaled step for mode   42=        0.0000000634
 Unscaled step for mode   43=        0.0000000767
 Unscaled step for mode   44=        0.0000001386
 Unscaled step for mode   45=       -0.0000000051
 Unscaled step for mode   46=       -0.0000001349
 Unscaled step for mode   47=        0.0000001461
 Unscaled step for mode   48=       -0.0000000292
 Unscaled step for mode   49=       -0.0000001391
 Unscaled step for mode   50=       -0.0000000471
 Unscaled step for mode   51=        0.0000000938
 Unscaled step for mode   52=       -0.0000000260
 Unscaled step for mode   53=       -0.0000000808
 Unscaled step for mode   54=       -0.0000001185
 Unscaled step for mode   55=        0.0000001278
 Unscaled step for mode   56=       -0.0000000386
 Unscaled step for mode   57=        0.0000000779
 Unscaled step for mode   58=       -0.0000001676
 Unscaled step for mode   59=        0.0000000209
 Unscaled step for mode   60=        0.0000001649
 Unscaled step for mode   61=        0.0000002268
 Unscaled step for mode   62=        0.0000002053
 Unscaled step for mode   63=       -0.0000001699
 Unscaled step for mode   64=        0.0000002417
 Unscaled step for mode   65=        0.0000001772
 Unscaled step for mode   66=       -0.0000001354
 Unscaled step for mode   67=        0.0000000787
 Unscaled step for mode   68=       -0.0000000788
 Unscaled step for mode   69=        0.0000000564
 Unscaled step for mode   70=        0.0000002576
 Unscaled step for mode   71=       -0.0000000599
 Unscaled step for mode   72=        0.0000006253
 Unscaled step for mode   73=        0.0000002846
 Unscaled step for mode   74=        0.0000002736
 Unscaled step for mode   75=        0.0000008317
 Unscaled step for mode   76=        0.0000001515
 Unscaled step for mode   77=        0.0000005478
 Unscaled step for mode   78=       -0.0000000790
 Unscaled step for mode   79=       -0.0000000941
 Unscaled step for mode   80=       -0.0000002602
 Unscaled step for mode   81=        0.0000002963
 Unscaled step for mode   82=        0.0000000939
 Unscaled step for mode   83=       -0.0000002041
 Unscaled step for mode   84=       -0.0000006349
 Unscaled step for mode   85=       -0.0000005681
 Unscaled step for mode   86=       -0.0000001490
 Unscaled step for mode   87=        0.0000006643
 Unscaled step for mode   88=       -0.0000001300
 Unscaled step for mode   89=        0.0000004733
 Unscaled step for mode   90=       -0.0000010033
 Unscaled step for mode   91=        0.0000002588
 Unscaled step for mode   92=        0.0000011102
 Unscaled step for mode   93=       -0.0000003607
 Unscaled step for mode   94=        0.0000010013
 Unscaled step for mode   95=        0.0000003768
 Unscaled step for mode   96=        0.0000000742
 Unscaled step for mode   97=        0.0000010027
 Unscaled step for mode   98=        0.0000012049
 Unscaled step for mode   99=        0.0000033167
 Unscaled step for mode  100=        0.0000025210
 Unscaled step for mode  101=       -0.0000007221
 Unscaled step for mode  102=       -0.0000035743
 Unscaled step for mode  103=       -0.0000010931
 Unscaled step for mode  104=       -0.0000037688
 Unscaled step for mode  105=        0.0000027122
 Unscaled step for mode  106=        0.0000011804
 Unscaled step for mode  107=        0.0000047247
 Unscaled step for mode  108=        0.0000003341
 Unscaled step for mode  109=       -0.0000051831
 Unscaled step for mode  110=        0.0007156367
 Unscaled step for mode  111=        0.0002474270
 Unscaled step for mode  112=       -0.0011025967
 Unscaled step for mode  113=        0.0036315158
 Unscaled step for mode  114=       -0.1711084305
 Largest modulus ratio of non-zero e/values=           181.8213111    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.181495E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.124737E-14    0.100702E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.249800E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.118032E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.855531E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.784908E-15    0.973958E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.537673E-05    0.735740E+03  0.730792E-08 0.100000E-04    0.993764E+00
   8   -0.555436E-05    0.673892E+03  0.824222E-08 0.100000E-04    0.992498E+00
   9   -0.754905E-06    0.627415E+03  0.120320E-08 0.100000E-04    0.910915E+00
  10    0.223933E-05    0.603805E+03 -0.370870E-08 0.100000E-04    0.999576E+00
  11   -0.159663E-05    0.587904E+03  0.271580E-08 0.100000E-04    0.985868E+00
  12   -0.377899E-05    0.573047E+03  0.659455E-08 0.100000E-04    0.968463E+00
  13   -0.359992E-05    0.567067E+03  0.634832E-08 0.100000E-04    0.996089E+00
  14    0.160137E-07    0.483885E+03 -0.330941E-10 0.100000E-04    0.262635E+00
  15    0.186876E-05    0.464182E+03 -0.402592E-08 0.100000E-04    0.987473E+00
  16    0.669627E-05    0.461060E+03 -0.145236E-07 0.100000E-04    0.999472E+00
  17    0.456706E-05    0.441460E+03 -0.103454E-07 0.100000E-04    0.991358E+00
  18    0.490483E-05    0.429404E+03 -0.114224E-07 0.100000E-04    0.989161E+00
  19   -0.175727E-04    0.421967E+03  0.416448E-07 0.100000E-04    0.999165E+00
  20    0.660947E-05    0.408229E+03 -0.161906E-07 0.100000E-04    0.988515E+00
  21    0.659992E-05    0.397204E+03 -0.166159E-07 0.100000E-04    0.991854E+00
  22   -0.881561E-05    0.388764E+03  0.226760E-07 0.100000E-04    0.990530E+00
  23    0.100008E-05    0.368198E+03 -0.271614E-08 0.100000E-04    0.918537E+00
  24   -0.309979E-05    0.361430E+03  0.857646E-08 0.100000E-04    0.973951E+00
  25   -0.214726E-04    0.350568E+03  0.612510E-07 0.100000E-04    0.999558E+00
  26   -0.344950E-04    0.335584E+03  0.102791E-06 0.100000E-04    0.999213E+00
  27   -0.172384E-04    0.326440E+03  0.528074E-07 0.100000E-04    0.999260E+00
  28    0.144911E-04    0.321437E+03 -0.450823E-07 0.100000E-04    0.996763E+00
  29    0.168395E-04    0.320279E+03 -0.525776E-07 0.100000E-04    0.986860E+00
  30   -0.250965E-04    0.311833E+03  0.804807E-07 0.100000E-04    0.997601E+00
  31   -0.175953E-04    0.303467E+03  0.579809E-07 0.100000E-04    0.993626E+00
  32   -0.767860E-05    0.288933E+03  0.265757E-07 0.100000E-04    0.986862E+00
  33    0.131012E-04    0.278604E+03 -0.470245E-07 0.100000E-04    0.997382E+00
  34    0.128778E-04    0.270939E+03 -0.475301E-07 0.100000E-04    0.994132E+00
  35    0.243594E-04    0.267199E+03 -0.911656E-07 0.100000E-04    0.997615E+00
  36    0.199522E-04    0.264464E+03 -0.754441E-07 0.100000E-04    0.992535E+00
  37   -0.196743E-04    0.260168E+03  0.756213E-07 0.100000E-04    0.998806E+00
  38    0.878857E-06    0.253941E+03 -0.346087E-08 0.100000E-04    0.916122E+00
  39   -0.204078E-04    0.242105E+03  0.842934E-07 0.100000E-04    0.999451E+00
  40   -0.170385E-04    0.238720E+03  0.713743E-07 0.100000E-04    0.985549E+00
  41   -0.422929E-04    0.234617E+03  0.180263E-06 0.100000E-04    0.995970E+00
  42   -0.144695E-04    0.228339E+03  0.633685E-07 0.100000E-04    0.987609E+00
  43   -0.168297E-04    0.219413E+03  0.767035E-07 0.100000E-04    0.993480E+00
  44   -0.296705E-04    0.214045E+03  0.138618E-06 0.100000E-04    0.991473E+00
  45    0.108095E-05    0.212534E+03 -0.508604E-08 0.100000E-04    0.998456E+00
  46    0.279547E-04    0.207210E+03 -0.134910E-06 0.100000E-04    0.994842E+00
  47   -0.297507E-04    0.203575E+03  0.146141E-06 0.100000E-04    0.998491E+00
  48    0.576661E-05    0.197240E+03 -0.292365E-07 0.100000E-04    0.997342E+00
  49    0.271361E-04    0.195147E+03 -0.139055E-06 0.100000E-04    0.996061E+00
  50    0.902399E-05    0.191470E+03 -0.471301E-07 0.100000E-04    0.985594E+00
  51   -0.172527E-04    0.183918E+03  0.938064E-07 0.100000E-04    0.998953E+00
  52    0.453422E-05    0.174708E+03 -0.259531E-07 0.100000E-04    0.993098E+00
  53    0.138962E-04    0.172043E+03 -0.807719E-07 0.100000E-04    0.998784E+00
  54    0.198598E-04    0.167594E+03 -0.118500E-06 0.100000E-04    0.997058E+00
  55   -0.210478E-04    0.164754E+03  0.127753E-06 0.100000E-04    0.997065E+00
  56    0.611707E-05    0.158613E+03 -0.385660E-07 0.100000E-04    0.984303E+00
  57   -0.120090E-04    0.154148E+03  0.779061E-07 0.100000E-04    0.999268E+00
  58    0.254036E-04    0.151539E+03 -0.167637E-06 0.100000E-04    0.997793E+00
  59   -0.309789E-05    0.148343E+03  0.208833E-07 0.100000E-04    0.968376E+00
  60   -0.236373E-04    0.143351E+03  0.164892E-06 0.100000E-04    0.999772E+00
  61   -0.311221E-04    0.137219E+03  0.226806E-06 0.100000E-04    0.999937E+00
  62   -0.279050E-04    0.135897E+03  0.205339E-06 0.100000E-04    0.997857E+00
  63    0.221916E-04    0.130612E+03 -0.169906E-06 0.100000E-04    0.994027E+00
  64   -0.309854E-04    0.128218E+03  0.241661E-06 0.100000E-04    0.995612E+00
  65   -0.223702E-04    0.126223E+03  0.177228E-06 0.100000E-04    0.998585E+00
  66    0.169795E-04    0.125448E+03 -0.135351E-06 0.100000E-04    0.994240E+00
  67   -0.942450E-05    0.119803E+03  0.786664E-07 0.100000E-04    0.979515E+00
  68    0.930788E-05    0.118099E+03 -0.788139E-07 0.100000E-04    0.995792E+00
  69   -0.660658E-05    0.117069E+03  0.564332E-07 0.100000E-04    0.999920E+00
  70   -0.285436E-04    0.110826E+03  0.257554E-06 0.100000E-04    0.994701E+00
  71    0.644836E-05    0.107613E+03 -0.599219E-07 0.100000E-04    0.990769E+00
  72   -0.654438E-04    0.104657E+03  0.625315E-06 0.100000E-04    0.996379E+00
  73   -0.293401E-04    0.103091E+03  0.284603E-06 0.100000E-04    0.999775E+00
  74   -0.272888E-04    0.997371E+02  0.273608E-06 0.100000E-04    0.996805E+00
  75   -0.796628E-04    0.957819E+02  0.831710E-06 0.100000E-04    0.998816E+00
  76   -0.143061E-04    0.944513E+02  0.151466E-06 0.100000E-04    0.961110E+00
  77   -0.511411E-04    0.933581E+02  0.547795E-06 0.100000E-04    0.992745E+00
  78    0.716283E-05    0.906374E+02 -0.790274E-07 0.100000E-04    0.995951E+00
  79    0.842901E-05    0.895343E+02 -0.941428E-07 0.100000E-04    0.997547E+00
  80    0.221423E-04    0.850932E+02 -0.260212E-06 0.100000E-04    0.998116E+00
  81   -0.239725E-04    0.809045E+02  0.296306E-06 0.100000E-04    0.995628E+00
  82   -0.750545E-05    0.798911E+02  0.939460E-07 0.100000E-04    0.970254E+00
  83    0.159673E-04    0.782505E+02 -0.204054E-06 0.100000E-04    0.995082E+00
  84    0.462615E-04    0.728612E+02 -0.634926E-06 0.100000E-04    0.997495E+00
  85    0.411205E-04    0.723807E+02 -0.568114E-06 0.100000E-04    0.992987E+00
  86    0.101700E-04    0.682606E+02 -0.148988E-06 0.100000E-04    0.989690E+00
  87   -0.439315E-04    0.661292E+02  0.664329E-06 0.100000E-04    0.996603E+00
  88    0.819415E-05    0.630418E+02 -0.129980E-06 0.100000E-04    0.967423E+00
  89   -0.283737E-04    0.599532E+02  0.473264E-06 0.100000E-04    0.968069E+00
  90    0.598558E-04    0.596589E+02 -0.100330E-05 0.100000E-04    0.996596E+00
  91   -0.152862E-04    0.590641E+02  0.258807E-06 0.100000E-04    0.983632E+00
  92   -0.622265E-04    0.560493E+02  0.111021E-05 0.100000E-04    0.999823E+00
  93    0.190024E-04    0.526774E+02 -0.360731E-06 0.100000E-04    0.978738E+00
  94   -0.523784E-04    0.523120E+02  0.100127E-05 0.100000E-04    0.996775E+00
  95   -0.188568E-04    0.500391E+02  0.376842E-06 0.100000E-04    0.992308E+00
  96   -0.351363E-05    0.473686E+02  0.741764E-07 0.100000E-04    0.999444E+00
  97   -0.429848E-04    0.428698E+02  0.100268E-05 0.100000E-04    0.992577E+00
  98   -0.487731E-04    0.404803E+02  0.120486E-05 0.100000E-04    0.999376E+00
  99   -0.124602E-03    0.375683E+02  0.331667E-05 0.100000E-04    0.996920E+00
 100   -0.914310E-04    0.362671E+02  0.252105E-05 0.100000E-04    0.994602E+00
 101    0.246867E-04    0.341888E+02 -0.722069E-06 0.100000E-04    0.985711E+00
 102    0.102943E-03    0.288007E+02 -0.357431E-05 0.100000E-04    0.999518E+00
 103    0.312720E-04    0.286081E+02 -0.109311E-05 0.100000E-04    0.985954E+00
 104    0.102544E-03    0.272087E+02 -0.376882E-05 0.100000E-04    0.992206E+00
 105   -0.625246E-04    0.230530E+02  0.271221E-05 0.100000E-04    0.994664E+00
 106   -0.249725E-04    0.211559E+02  0.118040E-05 0.100000E-04    0.982174E+00
 107   -0.971177E-04    0.205553E+02  0.472469E-05 0.100000E-04    0.988719E+00
 108   -0.560986E-05    0.167928E+02  0.334063E-06 0.100000E-04    0.864889E+00
 109    0.715579E-04    0.138060E+02 -0.518310E-05 0.100000E-04    0.989544E+00
 110   -0.876005E-02    0.122409E+02  0.100000E-04 0.100000E-04    0.449524E+00
 111   -0.246048E-02    0.994426E+01  0.100000E-04 0.100000E-04    0.682730E+00
 112    0.961434E-02    0.871971E+01 -0.119850E-04 0.119850E-04    0.228480E+00
 113   -0.249951E-01    0.688273E+01  0.203765E-04 0.203765E-04    0.252225E+00
 114   -0.713273E+00    0.404650E+01 -0.400000E-03 0.400000E-03    0.857511E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1711084305    

 Beginning of optimization cycle  367.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3463419097
 potential> RMS force:                                               0.0670072817   |gradient|=.7154419907    
 Eigenvalues of the Hessian matrix:
   735.80341    673.89962    627.42762    603.79410    587.89401    573.09023 
   567.06923    483.91180    464.15854    461.05418    441.46205    429.39669 
   421.97007    408.23510    397.19888    388.76181    368.20677    361.42192 
   350.56049    335.57072    326.45485    321.43857    320.27561    311.81222 
   303.45240    288.94287    278.59973    270.94553    267.20735    264.46914 
   260.18571    253.94098    242.10009    238.73315    234.60497    228.33337 
   219.39207    214.05293    212.54040    207.20782    203.57527    197.23215 
   195.14314    191.46802    183.90840    174.69839    172.04758    167.59573 
   164.74564    158.60209    154.15272    151.54536    148.33360    143.35284 
   137.22257    135.89894    130.61006    128.22290    126.22650    125.44376 
   119.80515    118.10015    117.07017    110.82033    107.60593    104.65448 
   103.09114     99.73606     95.78024     94.43836     93.36943     90.64139 
    89.52863     85.09614     80.90412     79.89330     78.24936     72.86378 
    72.38535     68.25982     66.11743     63.03605     59.95100     59.65449 
    59.06320     56.04938     52.67482     52.31252     50.03829     47.36312 
    42.86990     40.48293     37.57230     36.26962     34.17649     28.80039 
    28.60680     27.20076     23.05505     21.14975     20.55901     16.79203 
    13.80650     12.24079      9.94573      8.71483      6.87485      4.04118 
overlap for current and previous eigenvector    109 is        -0.9999997271
overlap for current and previous eigenvector    110 is         0.9999995811
overlap for current and previous eigenvector    111 is         0.9999993922
overlap for current and previous eigenvector    112 is         0.9999951533
overlap for current and previous eigenvector    113 is         0.9999955269
overlap for current and previous eigenvector    114 is         0.9999997246
J1,K1,R1,R2,RAT=   7   7   -0.5729851908E-02     2.005556749        0.9942701481    
FOB,PFOB,DIAG,PSTEP=   -0.5407537676E-05   -0.5376727159E-05     735.8034133        0.7307920112E-08
J1,K1,R1,R2,RAT=   8   8    0.1121939330E-02     1.998854403        0.9988544033    
FOB,PFOB,DIAG,PSTEP=   -0.5548130571E-05   -0.5554362302E-05     673.8996214        0.8242218615E-08
J1,K1,R1,R2,RAT=   9   9    0.5601641225E-01     1.943943678        0.9439436783    
FOB,PFOB,DIAG,PSTEP=   -0.7126171755E-06   -0.7549050944E-06     627.4276226        0.1203198794E-08
J1,K1,R1,R2,RAT=  10  10   -0.1053873179E-01     2.010575682        0.9894612682    
FOB,PFOB,DIAG,PSTEP=    0.2262932550E-05    0.2239333254E-05     603.7941003       -0.3708701165E-08
J1,K1,R1,R2,RAT=  11  11   -0.2746089372E-01     2.027494241        0.9725391063    
FOB,PFOB,DIAG,PSTEP=   -0.1640472118E-05   -0.1596628017E-05     587.8940088        0.2715798038E-08
J1,K1,R1,R2,RAT= 109 109     1.984235227        0.1569348817E-01    0.9842352269    
FOB,PFOB,DIAG,PSTEP=   -0.7043488369E-04    0.7155791704E-04     13.80649846       -0.5183100397E-05
J1,K1,R1,R2,RAT= 110 110   -0.5639798942         143.6928647        0.4360201058    
FOB,PFOB,DIAG,PSTEP=   -0.8829089291E-02   -0.8760053692E-02     12.24079081        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3272720128         49.15082996        0.6727279872    
FOB,PFOB,DIAG,PSTEP=   -0.2427928702E-02   -0.2460478280E-02     9.945726219        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8793475277         184.9789016        0.1206524723    
FOB,PFOB,DIAG,PSTEP=    0.9706183162E-02    0.9614337809E-02     8.714831055       -0.1198498967E-04
J1,K1,R1,R2,RAT= 113 113   -0.8382408951         357.6923720        0.1617591049    
FOB,PFOB,DIAG,PSTEP=   -0.2511249670E-01   -0.2499507118E-01     6.874852394        0.2037653181E-04
J1,K1,R1,R2,RAT= 114 114    0.9917613074        -883.4984014        0.8238692634E-02
FOB,PFOB,DIAG,PSTEP=   -0.7148765081       -0.7132733543         4.041178399       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002      0.00001     -0.00001      0.00003     -0.00000     -0.00002 
     0.00003      0.00003     -0.00002      0.00003      0.00002     -0.00002 
     0.00001     -0.00001      0.00001     -0.00003      0.00001     -0.00007 
    -0.00003     -0.00003     -0.00008      0.00001      0.00005     -0.00001 
     0.00001      0.00002      0.00002      0.00001     -0.00002     -0.00005 
     0.00004      0.00001     -0.00004      0.00001      0.00003     -0.00006 
    -0.00002     -0.00006      0.00002     -0.00005     -0.00002      0.00000 
     0.00004      0.00005     -0.00013      0.00009     -0.00003      0.00010 
     0.00003      0.00010     -0.00006     -0.00003     -0.00010     -0.00001 
    -0.00007     -0.00883     -0.00243      0.00971     -0.02511     -0.71488 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4195852157
 Log product of positive Hessian eigenvalues =          519.6706511227
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0411783995
 Unscaled step for mode    7=        0.0000000073
 Unscaled step for mode    8=        0.0000000082
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000037
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000065
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000000
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000146
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000418
 Unscaled step for mode   20=       -0.0000000163
 Unscaled step for mode   21=       -0.0000000167
 Unscaled step for mode   22=        0.0000000227
 Unscaled step for mode   23=       -0.0000000025
 Unscaled step for mode   24=        0.0000000085
 Unscaled step for mode   25=        0.0000000615
 Unscaled step for mode   26=        0.0000001030
 Unscaled step for mode   27=        0.0000000530
 Unscaled step for mode   28=       -0.0000000451
 Unscaled step for mode   29=       -0.0000000533
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000581
 Unscaled step for mode   32=        0.0000000265
 Unscaled step for mode   33=       -0.0000000472
 Unscaled step for mode   34=       -0.0000000478
 Unscaled step for mode   35=       -0.0000000910
 Unscaled step for mode   36=       -0.0000000753
 Unscaled step for mode   37=        0.0000000759
 Unscaled step for mode   38=       -0.0000000036
 Unscaled step for mode   39=        0.0000000845
 Unscaled step for mode   40=        0.0000000717
 Unscaled step for mode   41=        0.0000001803
 Unscaled step for mode   42=        0.0000000632
 Unscaled step for mode   43=        0.0000000769
 Unscaled step for mode   44=        0.0000001386
 Unscaled step for mode   45=       -0.0000000053
 Unscaled step for mode   46=       -0.0000001352
 Unscaled step for mode   47=        0.0000001456
 Unscaled step for mode   48=       -0.0000000297
 Unscaled step for mode   49=       -0.0000001391
 Unscaled step for mode   50=       -0.0000000479
 Unscaled step for mode   51=        0.0000000941
 Unscaled step for mode   52=       -0.0000000262
 Unscaled step for mode   53=       -0.0000000813
 Unscaled step for mode   54=       -0.0000001190
 Unscaled step for mode   55=       -0.0000001277
 Unscaled step for mode   56=       -0.0000000379
 Unscaled step for mode   57=        0.0000000789
 Unscaled step for mode   58=       -0.0000001678
 Unscaled step for mode   59=        0.0000000209
 Unscaled step for mode   60=        0.0000001656
 Unscaled step for mode   61=       -0.0000002287
 Unscaled step for mode   62=       -0.0000002048
 Unscaled step for mode   63=        0.0000001707
 Unscaled step for mode   64=       -0.0000002429
 Unscaled step for mode   65=       -0.0000001792
 Unscaled step for mode   66=        0.0000001344
 Unscaled step for mode   67=       -0.0000000780
 Unscaled step for mode   68=        0.0000000793
 Unscaled step for mode   69=       -0.0000000571
 Unscaled step for mode   70=        0.0000002572
 Unscaled step for mode   71=       -0.0000000596
 Unscaled step for mode   72=        0.0000006274
 Unscaled step for mode   73=        0.0000002856
 Unscaled step for mode   74=        0.0000002738
 Unscaled step for mode   75=        0.0000008339
 Unscaled step for mode   76=       -0.0000001569
 Unscaled step for mode   77=       -0.0000005462
 Unscaled step for mode   78=        0.0000000820
 Unscaled step for mode   79=       -0.0000000937
 Unscaled step for mode   80=       -0.0000002609
 Unscaled step for mode   81=       -0.0000002964
 Unscaled step for mode   82=       -0.0000000947
 Unscaled step for mode   83=        0.0000002052
 Unscaled step for mode   84=        0.0000006392
 Unscaled step for mode   85=       -0.0000005698
 Unscaled step for mode   86=       -0.0000001531
 Unscaled step for mode   87=        0.0000006682
 Unscaled step for mode   88=       -0.0000001280
 Unscaled step for mode   89=       -0.0000004584
 Unscaled step for mode   90=        0.0000010163
 Unscaled step for mode   91=        0.0000002690
 Unscaled step for mode   92=        0.0000011108
 Unscaled step for mode   93=       -0.0000003567
 Unscaled step for mode   94=        0.0000010036
 Unscaled step for mode   95=        0.0000003751
 Unscaled step for mode   96=       -0.0000000681
 Unscaled step for mode   97=       -0.0000010144
 Unscaled step for mode   98=       -0.0000012135
 Unscaled step for mode   99=        0.0000033305
 Unscaled step for mode  100=       -0.0000025256
 Unscaled step for mode  101=        0.0000007409
 Unscaled step for mode  102=       -0.0000035857
 Unscaled step for mode  103=       -0.0000010967
 Unscaled step for mode  104=       -0.0000037709
 Unscaled step for mode  105=        0.0000027433
 Unscaled step for mode  106=        0.0000012609
 Unscaled step for mode  107=        0.0000047413
 Unscaled step for mode  108=        0.0000004280
 Unscaled step for mode  109=        0.0000051016
 Unscaled step for mode  110=        0.0007212838
 Unscaled step for mode  111=        0.0002441178
 Unscaled step for mode  112=       -0.0011137532
 Unscaled step for mode  113=        0.0036527565
 Unscaled step for mode  114=       -0.1716838991
 Largest modulus ratio of non-zero e/values=           182.0764491    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.299673E-15    0.101902E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.422947E-15    0.100702E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.273978E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.114839E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.338582E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.599889E-15    0.973959E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.540754E-05    0.735803E+03  0.734916E-08 0.100000E-04    0.994270E+00
   8   -0.554813E-05    0.673900E+03  0.823287E-08 0.100000E-04    0.998854E+00
   9   -0.712617E-06    0.627428E+03  0.113578E-08 0.100000E-04    0.943944E+00
  10    0.226293E-05    0.603794E+03 -0.374785E-08 0.100000E-04    0.989461E+00
  11   -0.164047E-05    0.587894E+03  0.279042E-08 0.100000E-04    0.972539E+00
  12   -0.372740E-05    0.573090E+03  0.650404E-08 0.100000E-04    0.986201E+00
  13   -0.362113E-05    0.567069E+03  0.638569E-08 0.100000E-04    0.994110E+00
  14    0.199538E-07    0.483912E+03 -0.412345E-10 0.100000E-04    0.753968E+00
  15    0.190660E-05    0.464159E+03 -0.410766E-08 0.100000E-04    0.979748E+00
  16    0.673443E-05    0.461054E+03 -0.146066E-07 0.100000E-04    0.994301E+00
  17    0.462949E-05    0.441462E+03 -0.104867E-07 0.100000E-04    0.986332E+00
  18    0.497008E-05    0.429397E+03 -0.115746E-07 0.100000E-04    0.986697E+00
  19   -0.176420E-04    0.421970E+03  0.418087E-07 0.100000E-04    0.996057E+00
  20    0.664815E-05    0.408235E+03 -0.162851E-07 0.100000E-04    0.994148E+00
  21    0.663355E-05    0.397199E+03 -0.167008E-07 0.100000E-04    0.994904E+00
  22   -0.880627E-05    0.388762E+03  0.226521E-07 0.100000E-04    0.998940E+00
  23    0.926186E-06    0.368207E+03 -0.251540E-08 0.100000E-04    0.926067E+00
  24   -0.308414E-05    0.361422E+03  0.853334E-08 0.100000E-04    0.994949E+00
  25   -0.215640E-04    0.350560E+03  0.615129E-07 0.100000E-04    0.995745E+00
  26   -0.345574E-04    0.335571E+03  0.102981E-06 0.100000E-04    0.998191E+00
  27   -0.172892E-04    0.326455E+03  0.529606E-07 0.100000E-04    0.997052E+00
  28    0.145035E-04    0.321439E+03 -0.451207E-07 0.100000E-04    0.999145E+00
  29    0.170588E-04    0.320276E+03 -0.532629E-07 0.100000E-04    0.986977E+00
  30   -0.250191E-04    0.311812E+03  0.802378E-07 0.100000E-04    0.996916E+00
  31   -0.176450E-04    0.303452E+03  0.581475E-07 0.100000E-04    0.997174E+00
  32   -0.764731E-05    0.288943E+03  0.264665E-07 0.100000E-04    0.995856E+00
  33    0.131404E-04    0.278600E+03 -0.471658E-07 0.100000E-04    0.997012E+00
  34    0.129467E-04    0.270946E+03 -0.477834E-07 0.100000E-04    0.994646E+00
  35    0.243108E-04    0.267207E+03 -0.909808E-07 0.100000E-04    0.997942E+00
  36    0.199135E-04    0.264469E+03 -0.752962E-07 0.100000E-04    0.998018E+00
  37   -0.197446E-04    0.260186E+03  0.758867E-07 0.100000E-04    0.996423E+00
  38    0.912560E-06    0.253941E+03 -0.359359E-08 0.100000E-04    0.961652E+00
  39   -0.204668E-04    0.242100E+03  0.845384E-07 0.100000E-04    0.997111E+00
  40   -0.171203E-04    0.238733E+03  0.717131E-07 0.100000E-04    0.995198E+00
  41   -0.423074E-04    0.234605E+03  0.180335E-06 0.100000E-04    0.999656E+00
  42   -0.144245E-04    0.228333E+03  0.631729E-07 0.100000E-04    0.996889E+00
  43   -0.168619E-04    0.219392E+03  0.768574E-07 0.100000E-04    0.998088E+00
  44   -0.296662E-04    0.214053E+03  0.138593E-06 0.100000E-04    0.999784E+00
  45    0.113386E-05    0.212540E+03 -0.533481E-08 0.100000E-04    0.951056E+00
  46    0.280141E-04    0.207208E+03 -0.135198E-06 0.100000E-04    0.997877E+00
  47   -0.296487E-04    0.203575E+03  0.145640E-06 0.100000E-04    0.996571E+00
  48    0.584876E-05    0.197232E+03 -0.296542E-07 0.100000E-04    0.985753E+00
  49    0.271540E-04    0.195143E+03 -0.139149E-06 0.100000E-04    0.999340E+00
  50    0.917339E-05    0.191468E+03 -0.479108E-07 0.100000E-04    0.983443E+00
  51   -0.173032E-04    0.183908E+03  0.940862E-07 0.100000E-04    0.997071E+00
  52    0.458157E-05    0.174698E+03 -0.262256E-07 0.100000E-04    0.989556E+00
  53    0.139901E-04    0.172048E+03 -0.813154E-07 0.100000E-04    0.993242E+00
  54    0.199521E-04    0.167596E+03 -0.119049E-06 0.100000E-04    0.995355E+00
  55    0.210359E-04    0.164746E+03 -0.127687E-06 0.100000E-04    0.999435E+00
  56    0.600356E-05    0.158602E+03 -0.378530E-07 0.100000E-04    0.981442E+00
  57   -0.121612E-04    0.154153E+03  0.788906E-07 0.100000E-04    0.987330E+00
  58    0.254286E-04    0.151545E+03 -0.167796E-06 0.100000E-04    0.999016E+00
  59   -0.309812E-05    0.148334E+03  0.208862E-07 0.100000E-04    0.999925E+00
  60   -0.237394E-04    0.143353E+03  0.165601E-06 0.100000E-04    0.995681E+00
  61    0.313785E-04    0.137223E+03 -0.228669E-06 0.100000E-04    0.991761E+00
  62    0.278389E-04    0.135899E+03 -0.204850E-06 0.100000E-04    0.997606E+00
  63   -0.222903E-04    0.130610E+03  0.170663E-06 0.100000E-04    0.995555E+00
  64    0.311493E-04    0.128223E+03 -0.242931E-06 0.100000E-04    0.994711E+00
  65    0.226168E-04    0.126227E+03 -0.179176E-06 0.100000E-04    0.988980E+00
  66   -0.168597E-04    0.125444E+03  0.134400E-06 0.100000E-04    0.992940E+00
  67    0.934290E-05    0.119805E+03 -0.779841E-07 0.100000E-04    0.991313E+00
  68   -0.936899E-05    0.118100E+03  0.793309E-07 0.100000E-04    0.993434E+00
  69    0.668185E-05    0.117070E+03 -0.570756E-07 0.100000E-04    0.988607E+00
  70   -0.285045E-04    0.110820E+03  0.257213E-06 0.100000E-04    0.998630E+00
  71    0.641118E-05    0.107606E+03 -0.595801E-07 0.100000E-04    0.994233E+00
  72   -0.656576E-04    0.104654E+03  0.627375E-06 0.100000E-04    0.996733E+00
  73   -0.294445E-04    0.103091E+03  0.285616E-06 0.100000E-04    0.996444E+00
  74   -0.273045E-04    0.997361E+02  0.273767E-06 0.100000E-04    0.999427E+00
  75   -0.798728E-04    0.957802E+02  0.833918E-06 0.100000E-04    0.997363E+00
  76    0.148132E-04    0.944384E+02 -0.156856E-06 0.100000E-04    0.964550E+00
  77    0.510023E-04    0.933694E+02 -0.546242E-06 0.100000E-04    0.997044E+00
  78   -0.743604E-05    0.906414E+02  0.820380E-07 0.100000E-04    0.961860E+00
  79    0.839005E-05    0.895286E+02 -0.937136E-07 0.100000E-04    0.995378E+00
  80    0.222017E-04    0.850961E+02 -0.260902E-06 0.100000E-04    0.997316E+00
  81    0.239772E-04    0.809041E+02 -0.296366E-06 0.100000E-04    0.999801E+00
  82    0.756325E-05    0.798933E+02 -0.946669E-07 0.100000E-04    0.992299E+00
  83   -0.160578E-04    0.782494E+02  0.205213E-06 0.100000E-04    0.994335E+00
  84   -0.465749E-04    0.728638E+02  0.639206E-06 0.100000E-04    0.993224E+00
  85    0.412418E-04    0.723854E+02 -0.569753E-06 0.100000E-04    0.997051E+00
  86    0.104518E-04    0.682598E+02 -0.153118E-06 0.100000E-04    0.972293E+00
  87   -0.441828E-04    0.661174E+02  0.668247E-06 0.100000E-04    0.994280E+00
  88    0.806938E-05    0.630360E+02 -0.128012E-06 0.100000E-04    0.984772E+00
  89    0.274831E-04    0.599510E+02 -0.458427E-06 0.100000E-04    0.968612E+00
  90   -0.606279E-04    0.596545E+02  0.101632E-05 0.100000E-04    0.987100E+00
  91   -0.158867E-04    0.590632E+02  0.268979E-06 0.100000E-04    0.960715E+00
  92   -0.622576E-04    0.560494E+02  0.111076E-05 0.100000E-04    0.999501E+00
  93    0.187909E-04    0.526748E+02 -0.356734E-06 0.100000E-04    0.988870E+00
  94   -0.525004E-04    0.523125E+02  0.100359E-05 0.100000E-04    0.997671E+00
  95   -0.187712E-04    0.500383E+02  0.375137E-06 0.100000E-04    0.995460E+00
  96    0.322557E-05    0.473631E+02 -0.681031E-07 0.100000E-04    0.918007E+00
  97    0.434868E-04    0.428699E+02 -0.101439E-05 0.100000E-04    0.988322E+00
  98    0.491280E-04    0.404829E+02 -0.121355E-05 0.100000E-04    0.992723E+00
  99   -0.125135E-03    0.375723E+02  0.333052E-05 0.100000E-04    0.995716E+00
 100    0.916026E-04    0.362696E+02 -0.252560E-05 0.100000E-04    0.998123E+00
 101   -0.253212E-04    0.341765E+02  0.740896E-06 0.100000E-04    0.974286E+00
 102    0.103268E-03    0.288004E+02 -0.358566E-05 0.100000E-04    0.996836E+00
 103    0.313742E-04    0.286068E+02 -0.109674E-05 0.100000E-04    0.996731E+00
 104    0.102571E-03    0.272008E+02 -0.377088E-05 0.100000E-04    0.999744E+00
 105   -0.632466E-04    0.230550E+02  0.274329E-05 0.100000E-04    0.988455E+00
 106   -0.266668E-04    0.211498E+02  0.126085E-05 0.100000E-04    0.932133E+00
 107   -0.974765E-04    0.205590E+02  0.474130E-05 0.100000E-04    0.996306E+00
 108   -0.718691E-05    0.167920E+02  0.427995E-06 0.100000E-04    0.718867E+00
 109   -0.704349E-04    0.138065E+02  0.510157E-05 0.100000E-04    0.984235E+00
 110   -0.882909E-02    0.122408E+02  0.100000E-04 0.100000E-04    0.436020E+00
 111   -0.242793E-02    0.994573E+01  0.100000E-04 0.100000E-04    0.672728E+00
 112    0.970618E-02    0.871483E+01 -0.130636E-04 0.130636E-04    0.120652E+00
 113   -0.251125E-01    0.687485E+01  0.222104E-04 0.222104E-04    0.161759E+00
 114   -0.714877E+00    0.404118E+01 -0.400000E-03 0.400000E-03    0.823869E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1716838991    

 Beginning of optimization cycle  368.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3460564312
 potential> RMS force:                                               0.0671576285   |gradient|=.7170472544    
 Eigenvalues of the Hessian matrix:
   735.86719    673.90745    627.44033    603.78273    587.88417    573.13309 
   567.07127    483.93813    464.13520    461.04794    441.46428    429.38980 
   421.97301    408.24127    397.19376    388.75914    368.21558    361.41361 
   350.55303    335.55766    326.46999    321.43981    320.27226    311.79169 
   303.43789    288.95277    278.59529    270.95231    267.21562    264.47464 
   260.20323    253.94085    242.09566    238.74635    234.59314    228.32789 
   219.37121    214.06049    212.54708    207.20531    203.57507    197.22393 
   195.13952    191.46635    183.89869    174.68875    172.05255    167.59763 
   164.73727    158.59090    154.15786    151.55121    148.32430    143.35496 
   137.22611    135.90052    130.60851    128.22753    126.23023    125.43920 
   119.80684    118.10092    117.07129    110.81501    107.59908    104.65172 
   103.09086     99.73507     95.77868     94.42532     93.38072     90.64542 
    89.52298     85.09913     80.90378     79.89553     78.24819     72.86634 
    72.38989     68.25900     66.10567     63.03024     59.94901     59.64993 
    59.06226     56.04950     52.67225     52.31299     50.03749     47.35762 
    42.87012     40.48558     37.57629     36.27213     34.16417     28.80007 
    28.60550     27.19288     23.05710     21.14361     20.56266     16.79123 
    13.80700     12.24067      9.94719      8.71014      6.86696      4.03584 
overlap for current and previous eigenvector    109 is        -0.9999997320
overlap for current and previous eigenvector    110 is        -0.9999995838
overlap for current and previous eigenvector    111 is         0.9999994104
overlap for current and previous eigenvector    112 is        -0.9999953416
overlap for current and previous eigenvector    113 is         0.9999956882
overlap for current and previous eigenvector    114 is         0.9999997161
J1,K1,R1,R2,RAT=   7   7   -0.6361506354E-02     2.006188175        0.9936384936    
FOB,PFOB,DIAG,PSTEP=   -0.5441940743E-05   -0.5407537676E-05     735.8671878        0.7349160901E-08
J1,K1,R1,R2,RAT=   8   8   -0.7463268633E-02     2.007440023        0.9925367314    
FOB,PFOB,DIAG,PSTEP=   -0.5589538241E-05   -0.5548130571E-05     673.9074540        0.8232873851E-08
J1,K1,R1,R2,RAT=   9   9   -0.8714694333E-01     2.087106431        0.9128530567    
FOB,PFOB,DIAG,PSTEP=   -0.7747208421E-06   -0.7126171755E-06     627.4403322        0.1135775904E-08
J1,K1,R1,R2,RAT=  10  10    0.1420540500E-02     1.998617117        0.9985794595    
FOB,PFOB,DIAG,PSTEP=    0.2259718024E-05    0.2262932550E-05     603.7827320       -0.3747854689E-08
J1,K1,R1,R2,RAT=  11  11    0.1370217383E-01     1.986331303        0.9862978262    
FOB,PFOB,DIAG,PSTEP=   -0.1617994460E-05   -0.1640472118E-05     587.8841685        0.2790421561E-08
J1,K1,R1,R2,RAT= 109 109     2.010410945       -0.1048349102E-01    0.9895165090    
FOB,PFOB,DIAG,PSTEP=    0.7117331395E-04   -0.7043488369E-04     13.80699928        0.5101574734E-05
J1,K1,R1,R2,RAT= 110 110     144.8126702       -0.5543954255        0.4456045745    
FOB,PFOB,DIAG,PSTEP=    0.8896951003E-02   -0.8829089291E-02     12.24066946        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3221933563         48.49420370        0.6778066437    
FOB,PFOB,DIAG,PSTEP=   -0.2395879532E-02   -0.2427928702E-02     9.947185161        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     171.4013536       -0.7974521137        0.2025478863    
FOB,PFOB,DIAG,PSTEP=   -0.9796922192E-02    0.9706183162E-02     8.710144447       -0.1306363874E-04
J1,K1,R1,R2,RAT= 113 113   -0.7755125834         330.0807291        0.2244874166    
FOB,PFOB,DIAG,PSTEP=   -0.2523077638E-01   -0.2511249670E-01     6.866959930        0.2221041967E-04
J1,K1,R1,R2,RAT= 114 114    0.9913725409        -886.6513038        0.8627459090E-02
FOB,PFOB,DIAG,PSTEP=   -0.7164769168       -0.7148765081         4.035840862       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002     -0.00001      0.00001     -0.00003     -0.00000      0.00002 
     0.00003     -0.00003     -0.00002      0.00003      0.00002      0.00002 
    -0.00001     -0.00001     -0.00001     -0.00003      0.00001     -0.00007 
    -0.00003     -0.00003     -0.00008      0.00002      0.00005     -0.00001 
     0.00001      0.00002      0.00002      0.00001     -0.00002      0.00005 
    -0.00004      0.00001     -0.00004      0.00001      0.00003      0.00006 
    -0.00002     -0.00006     -0.00002     -0.00005      0.00002     -0.00000 
     0.00004     -0.00005      0.00012      0.00009     -0.00003      0.00010 
    -0.00003      0.00010     -0.00006      0.00003      0.00010      0.00001 
     0.00007      0.00890     -0.00240     -0.00980     -0.02523     -0.71648 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4193987706
 Log product of positive Hessian eigenvalues =          519.6665882381
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0358408619
 Unscaled step for mode    7=        0.0000000074
 Unscaled step for mode    8=        0.0000000083
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=       -0.0000000037
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000067
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000002
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000146
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000418
 Unscaled step for mode   20=       -0.0000000161
 Unscaled step for mode   21=       -0.0000000166
 Unscaled step for mode   22=        0.0000000229
 Unscaled step for mode   23=       -0.0000000027
 Unscaled step for mode   24=        0.0000000088
 Unscaled step for mode   25=        0.0000000615
 Unscaled step for mode   26=        0.0000001031
 Unscaled step for mode   27=        0.0000000529
 Unscaled step for mode   28=       -0.0000000450
 Unscaled step for mode   29=       -0.0000000540
 Unscaled step for mode   30=        0.0000000804
 Unscaled step for mode   31=        0.0000000585
 Unscaled step for mode   32=        0.0000000268
 Unscaled step for mode   33=       -0.0000000473
 Unscaled step for mode   34=       -0.0000000481
 Unscaled step for mode   35=       -0.0000000912
 Unscaled step for mode   36=       -0.0000000758
 Unscaled step for mode   37=        0.0000000760
 Unscaled step for mode   38=       -0.0000000039
 Unscaled step for mode   39=        0.0000000846
 Unscaled step for mode   40=        0.0000000727
 Unscaled step for mode   41=        0.0000001811
 Unscaled step for mode   42=        0.0000000639
 Unscaled step for mode   43=        0.0000000773
 Unscaled step for mode   44=        0.0000001397
 Unscaled step for mode   45=       -0.0000000054
 Unscaled step for mode   46=       -0.0000001359
 Unscaled step for mode   47=        0.0000001458
 Unscaled step for mode   48=       -0.0000000296
 Unscaled step for mode   49=       -0.0000001397
 Unscaled step for mode   50=       -0.0000000473
 Unscaled step for mode   51=        0.0000000942
 Unscaled step for mode   52=        0.0000000264
 Unscaled step for mode   53=       -0.0000000812
 Unscaled step for mode   54=       -0.0000001194
 Unscaled step for mode   55=       -0.0000001280
 Unscaled step for mode   56=        0.0000000384
 Unscaled step for mode   57=       -0.0000000788
 Unscaled step for mode   58=        0.0000001681
 Unscaled step for mode   59=        0.0000000215
 Unscaled step for mode   60=       -0.0000001655
 Unscaled step for mode   61=       -0.0000002286
 Unscaled step for mode   62=        0.0000002044
 Unscaled step for mode   63=        0.0000001697
 Unscaled step for mode   64=       -0.0000002440
 Unscaled step for mode   65=       -0.0000001789
 Unscaled step for mode   66=       -0.0000001336
 Unscaled step for mode   67=        0.0000000795
 Unscaled step for mode   68=        0.0000000789
 Unscaled step for mode   69=        0.0000000570
 Unscaled step for mode   70=        0.0000002585
 Unscaled step for mode   71=       -0.0000000602
 Unscaled step for mode   72=        0.0000006297
 Unscaled step for mode   73=        0.0000002855
 Unscaled step for mode   74=        0.0000002728
 Unscaled step for mode   75=        0.0000008347
 Unscaled step for mode   76=       -0.0000001624
 Unscaled step for mode   77=       -0.0000005422
 Unscaled step for mode   78=        0.0000000824
 Unscaled step for mode   79=       -0.0000000934
 Unscaled step for mode   80=       -0.0000002604
 Unscaled step for mode   81=       -0.0000002976
 Unscaled step for mode   82=       -0.0000000974
 Unscaled step for mode   83=        0.0000002042
 Unscaled step for mode   84=       -0.0000006407
 Unscaled step for mode   85=        0.0000005657
 Unscaled step for mode   86=       -0.0000001547
 Unscaled step for mode   87=        0.0000006664
 Unscaled step for mode   88=       -0.0000001320
 Unscaled step for mode   89=       -0.0000004438
 Unscaled step for mode   90=       -0.0000010194
 Unscaled step for mode   91=        0.0000002738
 Unscaled step for mode   92=        0.0000011103
 Unscaled step for mode   93=        0.0000003491
 Unscaled step for mode   94=        0.0000010064
 Unscaled step for mode   95=       -0.0000003721
 Unscaled step for mode   96=        0.0000000677
 Unscaled step for mode   97=       -0.0000010071
 Unscaled step for mode   98=        0.0000012135
 Unscaled step for mode   99=       -0.0000033204
 Unscaled step for mode  100=       -0.0000025121
 Unscaled step for mode  101=        0.0000007338
 Unscaled step for mode  102=       -0.0000035839
 Unscaled step for mode  103=        0.0000011124
 Unscaled step for mode  104=       -0.0000038029
 Unscaled step for mode  105=        0.0000027321
 Unscaled step for mode  106=       -0.0000012475
 Unscaled step for mode  107=       -0.0000046849
 Unscaled step for mode  108=       -0.0000003825
 Unscaled step for mode  109=       -0.0000051549
 Unscaled step for mode  110=       -0.0007268349
 Unscaled step for mode  111=        0.0002408600
 Unscaled step for mode  112=        0.0011247701
 Unscaled step for mode  113=        0.0036741784
 Unscaled step for mode  114=       -0.1722606040
 Largest modulus ratio of non-zero e/values=           182.3330535    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.474013E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.165525E-14    0.100701E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.168823E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.666134E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.901788E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.722187E-15    0.973961E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.544194E-05    0.735867E+03  0.739528E-08 0.100000E-04    0.993638E+00
   8   -0.558954E-05    0.673907E+03  0.829422E-08 0.100000E-04    0.992537E+00
   9   -0.774721E-06    0.627440E+03  0.123473E-08 0.100000E-04    0.912853E+00
  10    0.225972E-05    0.603783E+03 -0.374260E-08 0.100000E-04    0.998579E+00
  11   -0.161799E-05    0.587884E+03  0.275223E-08 0.100000E-04    0.986298E+00
  12   -0.384457E-05    0.573133E+03  0.670799E-08 0.100000E-04    0.968567E+00
  13   -0.360635E-05    0.567071E+03  0.635961E-08 0.100000E-04    0.995913E+00
  14    0.964349E-07    0.483938E+03 -0.199271E-09 0.100000E-04    0.283269E+01
  15    0.188233E-05    0.464135E+03 -0.405556E-08 0.100000E-04    0.987267E+00
  16    0.673820E-05    0.461048E+03 -0.146150E-07 0.100000E-04    0.999441E+00
  17    0.458615E-05    0.441464E+03 -0.103885E-07 0.100000E-04    0.990630E+00
  18    0.491768E-05    0.429390E+03 -0.114527E-07 0.100000E-04    0.989456E+00
  19   -0.176569E-04    0.421973E+03  0.418438E-07 0.100000E-04    0.999154E+00
  20    0.657169E-05    0.408241E+03 -0.160976E-07 0.100000E-04    0.988468E+00
  21    0.657854E-05    0.397194E+03 -0.165625E-07 0.100000E-04    0.991707E+00
  22   -0.888671E-05    0.388759E+03  0.228592E-07 0.100000E-04    0.990865E+00
  23    0.100261E-05    0.368216E+03 -0.272288E-08 0.100000E-04    0.917489E+00
  24   -0.316566E-05    0.361414E+03  0.875912E-08 0.100000E-04    0.973565E+00
  25   -0.215705E-04    0.350553E+03  0.615328E-07 0.100000E-04    0.999698E+00
  26   -0.345908E-04    0.335558E+03  0.103085E-06 0.100000E-04    0.999033E+00
  27   -0.172822E-04    0.326470E+03  0.529364E-07 0.100000E-04    0.999497E+00
  28    0.144590E-04    0.321440E+03 -0.449819E-07 0.100000E-04    0.996921E+00
  29    0.172847E-04    0.320272E+03 -0.539688E-07 0.100000E-04    0.986757E+00
  30   -0.250630E-04    0.311792E+03  0.803837E-07 0.100000E-04    0.998247E+00
  31   -0.177585E-04    0.303438E+03  0.585242E-07 0.100000E-04    0.993569E+00
  32   -0.773978E-05    0.288953E+03  0.267856E-07 0.100000E-04    0.987909E+00
  33    0.131767E-04    0.278595E+03 -0.472968E-07 0.100000E-04    0.997240E+00
  34    0.130267E-04    0.270952E+03 -0.480775E-07 0.100000E-04    0.993821E+00
  35    0.243628E-04    0.267216E+03 -0.911727E-07 0.100000E-04    0.997861E+00
  36    0.200485E-04    0.264475E+03 -0.758051E-07 0.100000E-04    0.993221E+00
  37   -0.197650E-04    0.260203E+03  0.759599E-07 0.100000E-04    0.998967E+00
  38    0.986479E-06    0.253941E+03 -0.388468E-08 0.100000E-04    0.918998E+00
  39   -0.204805E-04    0.242096E+03  0.845966E-07 0.100000E-04    0.999330E+00
  40   -0.173603E-04    0.238746E+03  0.727142E-07 0.100000E-04    0.985984E+00
  41   -0.424753E-04    0.234593E+03  0.181060E-06 0.100000E-04    0.996030E+00
  42   -0.145893E-04    0.228328E+03  0.638962E-07 0.100000E-04    0.988574E+00
  43   -0.169673E-04    0.219371E+03  0.773451E-07 0.100000E-04    0.993750E+00
  44   -0.299137E-04    0.214060E+03  0.139744E-06 0.100000E-04    0.991659E+00
  45    0.113747E-05    0.212547E+03 -0.535161E-08 0.100000E-04    0.996819E+00
  46    0.281578E-04    0.207205E+03 -0.135893E-06 0.100000E-04    0.994870E+00
  47   -0.296890E-04    0.203575E+03  0.145838E-06 0.100000E-04    0.998638E+00
  48    0.583602E-05    0.197224E+03 -0.295908E-07 0.100000E-04    0.997822E+00
  49    0.272598E-04    0.195140E+03 -0.139694E-06 0.100000E-04    0.996105E+00
  50    0.904879E-05    0.191466E+03 -0.472605E-07 0.100000E-04    0.986417E+00
  51   -0.173218E-04    0.183899E+03  0.941919E-07 0.100000E-04    0.998929E+00
  52   -0.461476E-05    0.174689E+03  0.264170E-07 0.100000E-04    0.992757E+00
  53    0.139757E-04    0.172053E+03 -0.812295E-07 0.100000E-04    0.998914E+00
  54    0.200072E-04    0.167598E+03 -0.119376E-06 0.100000E-04    0.997239E+00
  55    0.210859E-04    0.164737E+03 -0.127997E-06 0.100000E-04    0.997623E+00
  56   -0.609659E-05    0.158591E+03  0.384422E-07 0.100000E-04    0.984504E+00
  57    0.121485E-04    0.154158E+03 -0.788057E-07 0.100000E-04    0.998891E+00
  58   -0.254767E-04    0.151551E+03  0.168106E-06 0.100000E-04    0.998108E+00
  59   -0.319264E-05    0.148324E+03  0.215247E-07 0.100000E-04    0.969489E+00
  60    0.237299E-04    0.143355E+03 -0.165533E-06 0.100000E-04    0.999572E+00
  61    0.313759E-04    0.137226E+03 -0.228644E-06 0.100000E-04    0.999866E+00
  62   -0.277768E-04    0.135901E+03  0.204391E-06 0.100000E-04    0.997747E+00
  63   -0.221655E-04    0.130609E+03  0.169710E-06 0.100000E-04    0.994404E+00
  64    0.312870E-04    0.128228E+03 -0.243996E-06 0.100000E-04    0.995578E+00
  65    0.225793E-04    0.126230E+03 -0.178874E-06 0.100000E-04    0.998283E+00
  66    0.167635E-04    0.125439E+03 -0.133639E-06 0.100000E-04    0.994296E+00
  67   -0.952227E-05    0.119807E+03  0.794802E-07 0.100000E-04    0.980802E+00
  68   -0.932320E-05    0.118101E+03  0.789427E-07 0.100000E-04    0.995099E+00
  69   -0.667345E-05    0.117071E+03  0.570033E-07 0.100000E-04    0.998724E+00
  70   -0.286502E-04    0.110815E+03  0.258541E-06 0.100000E-04    0.994887E+00
  71    0.647236E-05    0.107599E+03 -0.601525E-07 0.100000E-04    0.990456E+00
  72   -0.658988E-04    0.104652E+03  0.629696E-06 0.100000E-04    0.996327E+00
  73   -0.294291E-04    0.103091E+03  0.285468E-06 0.100000E-04    0.999479E+00
  74   -0.272048E-04    0.997351E+02  0.272771E-06 0.100000E-04    0.996350E+00
  75   -0.799502E-04    0.957787E+02  0.834739E-06 0.100000E-04    0.999032E+00
  76    0.153320E-04    0.944253E+02 -0.162371E-06 0.100000E-04    0.964975E+00
  77    0.506287E-04    0.933807E+02 -0.542175E-06 0.100000E-04    0.992432E+00
  78   -0.746908E-05    0.906454E+02  0.823988E-07 0.100000E-04    0.995557E+00
  79    0.836490E-05    0.895230E+02 -0.934386E-07 0.100000E-04    0.997002E+00
  80    0.221588E-04    0.850991E+02 -0.260388E-06 0.100000E-04    0.997997E+00
  81    0.240771E-04    0.809038E+02 -0.297602E-06 0.100000E-04    0.995834E+00
  82    0.778063E-05    0.798955E+02 -0.973850E-07 0.100000E-04    0.971260E+00
  83   -0.159800E-04    0.782482E+02  0.204222E-06 0.100000E-04    0.995154E+00
  84    0.466847E-04    0.728663E+02 -0.640689E-06 0.100000E-04    0.997644E+00
  85   -0.409504E-04    0.723899E+02  0.565692E-06 0.100000E-04    0.992809E+00
  86    0.105565E-04    0.682590E+02 -0.154654E-06 0.100000E-04    0.989979E+00
  87   -0.440556E-04    0.661057E+02  0.666441E-06 0.100000E-04    0.997120E+00
  88    0.831938E-05    0.630302E+02 -0.131990E-06 0.100000E-04    0.969016E+00
  89    0.266036E-04    0.599490E+02 -0.443770E-06 0.100000E-04    0.967995E+00
  90    0.608055E-04    0.596499E+02 -0.101937E-05 0.100000E-04    0.997070E+00
  91   -0.161736E-04    0.590623E+02  0.273840E-06 0.100000E-04    0.981944E+00
  92   -0.622300E-04    0.560495E+02  0.111027E-05 0.100000E-04    0.999551E+00
  93   -0.183878E-04    0.526723E+02  0.349098E-06 0.100000E-04    0.978546E+00
  94   -0.526500E-04    0.523130E+02  0.100644E-05 0.100000E-04    0.997150E+00
  95    0.186187E-04    0.500375E+02 -0.372096E-06 0.100000E-04    0.991876E+00
  96   -0.320483E-05    0.473576E+02  0.676729E-07 0.100000E-04    0.993568E+00
  97    0.431752E-04    0.428701E+02 -0.100712E-05 0.100000E-04    0.992825E+00
  98   -0.491300E-04    0.404856E+02  0.121352E-05 0.100000E-04    0.999910E+00
  99    0.124770E-03    0.375763E+02 -0.332044E-05 0.100000E-04    0.996867E+00
 100    0.911192E-04    0.362721E+02 -0.251210E-05 0.100000E-04    0.994585E+00
 101   -0.250680E-04    0.341642E+02  0.733752E-06 0.100000E-04    0.989997E+00
 102    0.103217E-03    0.288001E+02 -0.358393E-05 0.100000E-04    0.999505E+00
 103   -0.318213E-04    0.286055E+02  0.111242E-05 0.100000E-04    0.985747E+00
 104    0.103413E-03    0.271929E+02 -0.380294E-05 0.100000E-04    0.991787E+00
 105   -0.629933E-04    0.230571E+02  0.273206E-05 0.100000E-04    0.995818E+00
 106    0.263766E-04    0.211436E+02 -0.124750E-05 0.100000E-04    0.989114E+00
 107    0.963349E-04    0.205627E+02 -0.468495E-05 0.100000E-04    0.987936E+00
 108    0.642301E-05    0.167912E+02 -0.382522E-06 0.100000E-04    0.893705E+00
 109    0.711733E-04    0.138070E+02 -0.515487E-05 0.100000E-04    0.989517E+00
 110    0.889695E-02    0.122407E+02 -0.100000E-04 0.100000E-04    0.445605E+00
 111   -0.239588E-02    0.994719E+01  0.100000E-04 0.100000E-04    0.677807E+00
 112   -0.979692E-02    0.871014E+01  0.117690E-04 0.117690E-04    0.202548E+00
 113   -0.252308E-01    0.686696E+01  0.200094E-04 0.200094E-04    0.224487E+00
 114   -0.716477E+00    0.403584E+01 -0.400000E-03 0.400000E-03    0.862746E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1722606040    

 Beginning of optimization cycle  369.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3457702493
 potential> RMS force:                                               0.0673078366   |gradient|=.7186510378    
 Eigenvalues of the Hessian matrix:
   735.93089    673.91541    627.45282    603.77144    587.87440    573.17584 
   567.07365    483.96456    464.11198    461.04173    441.46658    429.38276 
   421.97602    408.24759    397.18873    388.75660    368.22438    361.40530 
   350.54563    335.54471    326.48508    321.44119    320.26865    311.77135 
   303.42331    288.96274    278.59074    270.95919    267.22386    264.48004 
   260.22073    253.94072    242.09123    238.75949    234.58126    228.32235 
   219.35033    214.06796    212.55375    207.20285    203.57486    197.21572 
   195.13585    191.46460    183.88891    174.67916    172.05745    167.59955 
   164.72890    158.57969    154.16296    151.55710    148.31505    143.35711 
   137.22964    135.90203    130.60702    128.23213    126.23398    125.43469 
   119.80849    118.10167    117.07242    110.80970    107.59230    104.64897 
   103.09052     99.73409     95.77725     94.41217     93.39196     90.64940 
    89.51733     85.10206     80.90341     79.89770     78.24702     72.86893 
    72.39451     68.25819     66.09400     63.02436     59.94718     59.64528 
    59.06123     56.04961     52.66972     52.31348     50.03665     47.35214 
    42.87030     40.48823     37.58026     36.27462     34.15188     28.79971 
    28.60419     27.18499     23.05915     21.13751     20.56619     16.79043 
    13.80749     12.24055      9.94865      8.70532      6.85901      4.03050 
overlap for current and previous eigenvector    109 is         0.9999997292
overlap for current and previous eigenvector    110 is         0.9999995842
overlap for current and previous eigenvector    111 is         0.9999994211
overlap for current and previous eigenvector    112 is         0.9999952671
overlap for current and previous eigenvector    113 is         0.9999956119
overlap for current and previous eigenvector    114 is         0.9999997274
J1,K1,R1,R2,RAT=   7   7   -0.5702096451E-02     2.005528989        0.9942979035    
FOB,PFOB,DIAG,PSTEP=   -0.5472973900E-05   -0.5441940743E-05     735.9308852        0.7395275714E-08
J1,K1,R1,R2,RAT=   8   8    0.1030956408E-02     1.998945419        0.9989454187    
FOB,PFOB,DIAG,PSTEP=   -0.5583775603E-05   -0.5589538241E-05     673.9154145        0.8294222313E-08
J1,K1,R1,R2,RAT=   9   9    0.5408025637E-01     1.945879939        0.9458799395    
FOB,PFOB,DIAG,PSTEP=   -0.7328229065E-06   -0.7747208421E-06     627.4528198        0.1234732296E-08
J1,K1,R1,R2,RAT=  10  10   -0.1025154882E-01     2.010288965        0.9897484512    
FOB,PFOB,DIAG,PSTEP=    0.2282883200E-05    0.2259718024E-05     603.7714365       -0.3742601277E-08
J1,K1,R1,R2,RAT=  11  11   -0.2698183046E-01     2.027015055        0.9730181695    
FOB,PFOB,DIAG,PSTEP=   -0.1661650187E-05   -0.1617994460E-05     587.8744026        0.2752233427E-08
J1,K1,R1,R2,RAT= 109 109    0.1552682659E-01     1.984401576        0.9844015760    
FOB,PFOB,DIAG,PSTEP=    0.7006817868E-04    0.7117331395E-04     13.80749357       -0.5154871997E-05
J1,K1,R1,R2,RAT= 110 110   -0.5676117034         145.9360934        0.4323882966    
FOB,PFOB,DIAG,PSTEP=    0.8966429798E-02    0.8896951003E-02     12.24055022       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3319726377         47.83293660        0.6680273623    
FOB,PFOB,DIAG,PSTEP=   -0.2362852731E-02   -0.2395879532E-02     9.948651707        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9083066750         192.1548364        0.9169332498E-01
FOB,PFOB,DIAG,PSTEP=   -0.9889981238E-02   -0.9796922192E-02     8.705323363        0.1176904391E-04
J1,K1,R1,R2,RAT= 113 113   -0.8670708722         368.5429994        0.1329291278    
FOB,PFOB,DIAG,PSTEP=   -0.2534977722E-01   -0.2523077638E-01     6.859013006        0.2000938709E-04
J1,K1,R1,R2,RAT= 114 114    0.9917101149        -889.8105425        0.8289885069E-02
FOB,PFOB,DIAG,PSTEP=   -0.7180757519       -0.7164769168         4.030500315       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002     -0.00001      0.00001     -0.00003      0.00000      0.00002 
     0.00003     -0.00003     -0.00002      0.00003      0.00002      0.00002 
    -0.00001     -0.00001     -0.00001      0.00003      0.00001     -0.00007 
    -0.00003     -0.00003     -0.00008     -0.00002     -0.00005     -0.00001 
     0.00001     -0.00002     -0.00002     -0.00001      0.00002      0.00005 
     0.00004     -0.00001      0.00004      0.00001      0.00003      0.00006 
    -0.00002     -0.00006     -0.00002     -0.00005      0.00002     -0.00000 
     0.00004     -0.00005     -0.00013      0.00009     -0.00003      0.00010 
    -0.00003      0.00010     -0.00006      0.00003      0.00010      0.00001 
     0.00007      0.00897     -0.00236     -0.00989     -0.02535     -0.71808 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4192131872
 Log product of positive Hessian eigenvalues =          519.6624919783
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0305003151
 Unscaled step for mode    7=        0.0000000074
 Unscaled step for mode    8=        0.0000000083
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000066
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000002
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000147
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000116
 Unscaled step for mode   19=        0.0000000420
 Unscaled step for mode   20=       -0.0000000162
 Unscaled step for mode   21=       -0.0000000166
 Unscaled step for mode   22=        0.0000000228
 Unscaled step for mode   23=       -0.0000000025
 Unscaled step for mode   24=        0.0000000087
 Unscaled step for mode   25=        0.0000000618
 Unscaled step for mode   26=        0.0000001033
 Unscaled step for mode   27=        0.0000000531
 Unscaled step for mode   28=       -0.0000000450
 Unscaled step for mode   29=       -0.0000000547
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000587
 Unscaled step for mode   32=        0.0000000267
 Unscaled step for mode   33=       -0.0000000474
 Unscaled step for mode   34=       -0.0000000483
 Unscaled step for mode   35=       -0.0000000910
 Unscaled step for mode   36=       -0.0000000757
 Unscaled step for mode   37=        0.0000000762
 Unscaled step for mode   38=       -0.0000000040
 Unscaled step for mode   39=        0.0000000848
 Unscaled step for mode   40=        0.0000000731
 Unscaled step for mode   41=        0.0000001811
 Unscaled step for mode   42=        0.0000000637
 Unscaled step for mode   43=        0.0000000775
 Unscaled step for mode   44=        0.0000001397
 Unscaled step for mode   45=       -0.0000000056
 Unscaled step for mode   46=       -0.0000001362
 Unscaled step for mode   47=        0.0000001453
 Unscaled step for mode   48=       -0.0000000300
 Unscaled step for mode   49=       -0.0000001398
 Unscaled step for mode   50=       -0.0000000480
 Unscaled step for mode   51=        0.0000000945
 Unscaled step for mode   52=        0.0000000267
 Unscaled step for mode   53=       -0.0000000818
 Unscaled step for mode   54=       -0.0000001199
 Unscaled step for mode   55=       -0.0000001279
 Unscaled step for mode   56=        0.0000000377
 Unscaled step for mode   57=       -0.0000000798
 Unscaled step for mode   58=        0.0000001683
 Unscaled step for mode   59=       -0.0000000215
 Unscaled step for mode   60=       -0.0000001662
 Unscaled step for mode   61=       -0.0000002305
 Unscaled step for mode   62=        0.0000002039
 Unscaled step for mode   63=        0.0000001705
 Unscaled step for mode   64=       -0.0000002453
 Unscaled step for mode   65=       -0.0000001808
 Unscaled step for mode   66=       -0.0000001327
 Unscaled step for mode   67=        0.0000000788
 Unscaled step for mode   68=        0.0000000795
 Unscaled step for mode   69=        0.0000000576
 Unscaled step for mode   70=       -0.0000002582
 Unscaled step for mode   71=       -0.0000000598
 Unscaled step for mode   72=        0.0000006318
 Unscaled step for mode   73=        0.0000002865
 Unscaled step for mode   74=        0.0000002729
 Unscaled step for mode   75=        0.0000008369
 Unscaled step for mode   76=        0.0000001677
 Unscaled step for mode   77=        0.0000005405
 Unscaled step for mode   78=        0.0000000854
 Unscaled step for mode   79=       -0.0000000930
 Unscaled step for mode   80=        0.0000002611
 Unscaled step for mode   81=        0.0000002977
 Unscaled step for mode   82=        0.0000000981
 Unscaled step for mode   83=       -0.0000002054
 Unscaled step for mode   84=       -0.0000006450
 Unscaled step for mode   85=       -0.0000005672
 Unscaled step for mode   86=        0.0000001588
 Unscaled step for mode   87=       -0.0000006703
 Unscaled step for mode   88=       -0.0000001300
 Unscaled step for mode   89=       -0.0000004293
 Unscaled step for mode   90=       -0.0000010314
 Unscaled step for mode   91=        0.0000002844
 Unscaled step for mode   92=        0.0000011108
 Unscaled step for mode   93=        0.0000003449
 Unscaled step for mode   94=        0.0000010087
 Unscaled step for mode   95=       -0.0000003704
 Unscaled step for mode   96=        0.0000000615
 Unscaled step for mode   97=       -0.0000010187
 Unscaled step for mode   98=        0.0000012221
 Unscaled step for mode   99=        0.0000033339
 Unscaled step for mode  100=       -0.0000025166
 Unscaled step for mode  101=        0.0000007526
 Unscaled step for mode  102=       -0.0000035952
 Unscaled step for mode  103=        0.0000011161
 Unscaled step for mode  104=       -0.0000038054
 Unscaled step for mode  105=        0.0000027631
 Unscaled step for mode  106=       -0.0000013303
 Unscaled step for mode  107=       -0.0000046988
 Unscaled step for mode  108=       -0.0000004756
 Unscaled step for mode  109=       -0.0000050746
 Unscaled step for mode  110=       -0.0007325181
 Unscaled step for mode  111=        0.0002375048
 Unscaled step for mode  112=        0.0011360828
 Unscaled step for mode  113=        0.0036957841
 Unscaled step for mode  114=       -0.1728382524
 Largest modulus ratio of non-zero e/values=           182.5904547    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.581783E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.886010E-15    0.100701E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.331983E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.637511E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.599020E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.127543E-15    0.973962E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.547297E-05    0.735931E+03  0.743680E-08 0.100000E-04    0.994298E+00
   8   -0.558378E-05    0.673915E+03  0.828557E-08 0.100000E-04    0.998945E+00
   9   -0.732823E-06    0.627453E+03  0.116793E-08 0.100000E-04    0.945880E+00
  10    0.228288E-05    0.603771E+03 -0.378104E-08 0.100000E-04    0.989748E+00
  11   -0.166165E-05    0.587874E+03  0.282654E-08 0.100000E-04    0.973018E+00
  12   -0.379401E-05    0.573176E+03  0.661927E-08 0.100000E-04    0.986699E+00
  13   -0.362765E-05    0.567074E+03  0.639714E-08 0.100000E-04    0.994095E+00
  14    0.101046E-06    0.483965E+03 -0.208788E-09 0.100000E-04    0.952189E+00
  15    0.192049E-05    0.464112E+03 -0.413799E-08 0.100000E-04    0.979724E+00
  16    0.677633E-05    0.461042E+03 -0.146979E-07 0.100000E-04    0.994341E+00
  17    0.464793E-05    0.441467E+03 -0.105284E-07 0.100000E-04    0.986531E+00
  18    0.498217E-05    0.429383E+03 -0.116031E-07 0.100000E-04    0.986885E+00
  19   -0.177258E-04    0.421976E+03  0.420067E-07 0.100000E-04    0.996100E+00
  20    0.660955E-05    0.408248E+03 -0.161901E-07 0.100000E-04    0.994238E+00
  21    0.661117E-05    0.397189E+03 -0.166449E-07 0.100000E-04    0.995040E+00
  22   -0.887754E-05    0.388757E+03  0.228357E-07 0.100000E-04    0.998968E+00
  23    0.929512E-06    0.368224E+03 -0.252431E-08 0.100000E-04    0.927049E+00
  24   -0.315076E-05    0.361405E+03  0.871808E-08 0.100000E-04    0.995292E+00
  25   -0.216611E-04    0.350546E+03  0.617925E-07 0.100000E-04    0.995800E+00
  26   -0.346530E-04    0.335545E+03  0.103274E-06 0.100000E-04    0.998202E+00
  27   -0.173331E-04    0.326485E+03  0.530901E-07 0.100000E-04    0.997051E+00
  28    0.144678E-04    0.321441E+03 -0.450093E-07 0.100000E-04    0.999387E+00
  29    0.175051E-04    0.320269E+03 -0.546574E-07 0.100000E-04    0.987251E+00
  30   -0.249845E-04    0.311771E+03  0.801373E-07 0.100000E-04    0.996870E+00
  31   -0.178083E-04    0.303423E+03  0.586912E-07 0.100000E-04    0.997195E+00
  32   -0.770858E-05    0.288963E+03  0.266767E-07 0.100000E-04    0.995900E+00
  33    0.132157E-04    0.278591E+03 -0.474376E-07 0.100000E-04    0.997038E+00
  34    0.130963E-04    0.270959E+03 -0.483333E-07 0.100000E-04    0.994654E+00
  35    0.243152E-04    0.267224E+03 -0.909920E-07 0.100000E-04    0.997987E+00
  36    0.200097E-04    0.264480E+03 -0.756568E-07 0.100000E-04    0.998023E+00
  37   -0.198346E-04    0.260221E+03  0.762220E-07 0.100000E-04    0.996482E+00
  38    0.102079E-05    0.253941E+03 -0.401979E-08 0.100000E-04    0.965221E+00
  39   -0.205391E-04    0.242091E+03  0.848402E-07 0.100000E-04    0.997139E+00
  40   -0.174417E-04    0.238759E+03  0.730515E-07 0.100000E-04    0.995306E+00
  41   -0.424909E-04    0.234581E+03  0.181135E-06 0.100000E-04    0.999633E+00
  42   -0.145452E-04    0.228322E+03  0.637046E-07 0.100000E-04    0.996976E+00
  43   -0.169993E-04    0.219350E+03  0.774982E-07 0.100000E-04    0.998115E+00
  44   -0.299115E-04    0.214068E+03  0.139729E-06 0.100000E-04    0.999858E+00
  45    0.119059E-05    0.212554E+03 -0.560134E-08 0.100000E-04    0.953304E+00
  46    0.282176E-04    0.207203E+03 -0.136184E-06 0.100000E-04    0.997875E+00
  47   -0.295874E-04    0.203575E+03  0.145339E-06 0.100000E-04    0.996576E+00
  48    0.591789E-05    0.197216E+03 -0.300072E-07 0.100000E-04    0.985971E+00
  49    0.272786E-04    0.195136E+03 -0.139793E-06 0.100000E-04    0.999308E+00
  50    0.919620E-05    0.191465E+03 -0.480308E-07 0.100000E-04    0.983709E+00
  51   -0.173722E-04    0.183889E+03  0.944710E-07 0.100000E-04    0.997090E+00
  52   -0.466342E-05    0.174679E+03  0.266970E-07 0.100000E-04    0.989455E+00
  53    0.140683E-04    0.172057E+03 -0.817653E-07 0.100000E-04    0.993374E+00
  54    0.200998E-04    0.167600E+03 -0.119928E-06 0.100000E-04    0.995369E+00
  55    0.210737E-04    0.164729E+03 -0.127930E-06 0.100000E-04    0.999423E+00
  56   -0.598371E-05    0.158580E+03  0.377331E-07 0.100000E-04    0.981484E+00
  57    0.122998E-04    0.154163E+03 -0.797842E-07 0.100000E-04    0.987550E+00
  58   -0.255007E-04    0.151557E+03  0.168258E-06 0.100000E-04    0.999060E+00
  59    0.319285E-05    0.148315E+03 -0.215275E-07 0.100000E-04    0.999934E+00
  60    0.238310E-04    0.143357E+03 -0.166235E-06 0.100000E-04    0.995740E+00
  61    0.316294E-04    0.137230E+03 -0.230486E-06 0.100000E-04    0.991919E+00
  62   -0.277093E-04    0.135902E+03  0.203892E-06 0.100000E-04    0.997547E+00
  63   -0.222624E-04    0.130607E+03  0.170453E-06 0.100000E-04    0.995631E+00
  64    0.314506E-04    0.128232E+03 -0.245263E-06 0.100000E-04    0.994771E+00
  65    0.228202E-04    0.126234E+03 -0.180777E-06 0.100000E-04    0.989330E+00
  66    0.166451E-04    0.125435E+03 -0.132699E-06 0.100000E-04    0.992935E+00
  67   -0.944230E-05    0.119808E+03  0.788116E-07 0.100000E-04    0.991574E+00
  68   -0.938318E-05    0.118102E+03  0.794500E-07 0.100000E-04    0.993567E+00
  69   -0.674729E-05    0.117072E+03  0.576335E-07 0.100000E-04    0.988936E+00
  70    0.286123E-04    0.110810E+03 -0.258211E-06 0.100000E-04    0.998676E+00
  71    0.643606E-05    0.107592E+03 -0.598190E-07 0.100000E-04    0.994392E+00
  72   -0.661131E-04    0.104649E+03  0.631760E-06 0.100000E-04    0.996748E+00
  73   -0.295319E-04    0.103091E+03  0.286466E-06 0.100000E-04    0.996508E+00
  74   -0.272179E-04    0.997341E+02  0.272905E-06 0.100000E-04    0.999519E+00
  75   -0.801553E-04    0.957773E+02  0.836892E-06 0.100000E-04    0.997435E+00
  76   -0.158308E-04    0.944122E+02  0.167677E-06 0.100000E-04    0.967462E+00
  77   -0.504812E-04    0.933920E+02  0.540531E-06 0.100000E-04    0.996848E+00
  78   -0.774187E-05    0.906494E+02  0.854045E-07 0.100000E-04    0.963479E+00
  79    0.832661E-05    0.895173E+02 -0.930167E-07 0.100000E-04    0.995422E+00
  80   -0.222160E-04    0.851021E+02  0.261051E-06 0.100000E-04    0.997420E+00
  81   -0.240820E-04    0.809034E+02  0.297664E-06 0.100000E-04    0.999797E+00
  82   -0.783934E-05    0.798977E+02  0.981173E-07 0.100000E-04    0.992454E+00
  83    0.160696E-04    0.782470E+02 -0.205370E-06 0.100000E-04    0.994393E+00
  84    0.469989E-04    0.728689E+02 -0.644979E-06 0.100000E-04    0.993269E+00
  85    0.410612E-04    0.723945E+02 -0.567187E-06 0.100000E-04    0.997294E+00
  86   -0.108367E-04    0.682582E+02  0.158761E-06 0.100000E-04    0.973458E+00
  87    0.443057E-04    0.660940E+02 -0.670344E-06 0.100000E-04    0.994320E+00
  88    0.819603E-05    0.630244E+02 -0.130045E-06 0.100000E-04    0.985172E+00
  89    0.257333E-04    0.599472E+02 -0.429267E-06 0.100000E-04    0.967289E+00
  90    0.615173E-04    0.596453E+02 -0.103139E-05 0.100000E-04    0.988293E+00
  91   -0.167981E-04    0.590612E+02  0.284419E-06 0.100000E-04    0.961384E+00
  92   -0.622573E-04    0.560496E+02  0.111075E-05 0.100000E-04    0.999560E+00
  93   -0.181681E-04    0.526697E+02  0.344943E-06 0.100000E-04    0.988049E+00
  94   -0.527691E-04    0.523135E+02  0.100871E-05 0.100000E-04    0.997738E+00
  95    0.185328E-04    0.500367E+02 -0.370384E-06 0.100000E-04    0.995383E+00
  96   -0.291343E-05    0.473521E+02  0.615268E-07 0.100000E-04    0.909063E+00
  97    0.436708E-04    0.428703E+02 -0.101867E-05 0.100000E-04    0.988523E+00
  98   -0.494807E-04    0.404882E+02  0.122210E-05 0.100000E-04    0.992864E+00
  99   -0.125290E-03    0.375803E+02  0.333393E-05 0.100000E-04    0.995832E+00
 100    0.912886E-04    0.362746E+02 -0.251660E-05 0.100000E-04    0.998141E+00
 101   -0.257042E-04    0.341519E+02  0.752644E-06 0.100000E-04    0.974612E+00
 102    0.103541E-03    0.287997E+02 -0.359520E-05 0.100000E-04    0.996866E+00
 103   -0.319241E-04    0.286042E+02  0.111606E-05 0.100000E-04    0.996769E+00
 104    0.103451E-03    0.271850E+02 -0.380545E-05 0.100000E-04    0.999631E+00
 105   -0.637154E-04    0.230591E+02  0.276313E-05 0.100000E-04    0.988537E+00
 106    0.281187E-04    0.211375E+02 -0.133027E-05 0.100000E-04    0.933933E+00
 107    0.966372E-04    0.205662E+02 -0.469884E-05 0.100000E-04    0.996862E+00
 108    0.798586E-05    0.167904E+02 -0.475620E-06 0.100000E-04    0.756668E+00
 109    0.700682E-04    0.138075E+02 -0.507465E-05 0.100000E-04    0.984402E+00
 110    0.896643E-02    0.122406E+02 -0.100000E-04 0.100000E-04    0.432388E+00
 111   -0.236285E-02    0.994865E+01  0.100000E-04 0.100000E-04    0.668027E+00
 112   -0.988998E-02    0.870532E+01  0.128283E-04 0.128283E-04    0.916933E-01
 113   -0.253498E-01    0.685901E+01  0.218102E-04 0.218102E-04    0.132929E+00
 114   -0.718076E+00    0.403050E+01 -0.400000E-03 0.400000E-03    0.828989E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1728382524    

 Beginning of optimization cycle  370.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3454834879
 potential> RMS force:                                               0.0674577895   |gradient|=.7202520967    
 Eigenvalues of the Hessian matrix:
   735.99467    673.92324    627.46550    603.75993    587.86460    573.21864 
   567.07563    483.99095    464.08867    461.03552    441.46887    429.37585 
   421.97892    408.25372    397.18364    388.75389    368.23326    361.39701 
   350.53817    335.53194    326.50031    321.44262    320.26486    311.75106 
   303.40867    288.97270    278.58631    270.96616    267.23208    264.48542 
   260.23839    253.94051    242.08679    238.77269    234.56949    228.31679 
   219.32947    214.07547    212.56045    207.20048    203.57458    197.20743 
   195.13221    191.46291    183.87919    174.66961    172.06235    167.60152 
   164.72048    158.56847    154.16807    151.56297    148.30573    143.35923 
   137.23322    135.90352    130.60549    128.23675    126.23776    125.43007 
   119.81016    118.10243    117.07352    110.80441    107.58554    104.64623 
   103.09019     99.73312     95.77588     94.39892     93.40316     90.65340 
    89.51164     85.10504     80.90305     79.89991     78.24585     72.87154 
    72.39905     68.25737     66.08233     63.01842     59.94551     59.64052 
    59.06017     56.04971     52.66721     52.31393     50.03586     47.34661 
    42.87056     40.49089     37.58423     36.27711     34.13955     28.79938 
    28.60288     27.17712     23.06120     21.13145     20.56970     16.78960 
    13.80800     12.24044      9.95011      8.70069      6.85105      4.02514 
overlap for current and previous eigenvector    109 is         0.9999997340
overlap for current and previous eigenvector    110 is         0.9999995869
overlap for current and previous eigenvector    111 is        -0.9999994379
overlap for current and previous eigenvector    112 is         0.9999954523
overlap for current and previous eigenvector    113 is         0.9999957717
overlap for current and previous eigenvector    114 is         0.9999997192
J1,K1,R1,R2,RAT=   7   7   -0.6312113507E-02     2.006138778        0.9936878865    
FOB,PFOB,DIAG,PSTEP=   -0.5507522927E-05   -0.5472973900E-05     735.9946724        0.7436804202E-08
J1,K1,R1,R2,RAT=   8   8   -0.7344230242E-02     2.007321009        0.9926557698    
FOB,PFOB,DIAG,PSTEP=   -0.5624784613E-05   -0.5583775603E-05     673.9232393        0.8285573356E-08
J1,K1,R1,R2,RAT=   9   9   -0.8427736358E-01     2.084236962        0.9157226364    
FOB,PFOB,DIAG,PSTEP=   -0.7945845367E-06   -0.7328229065E-06     627.4654952        0.1167933083E-08
J1,K1,R1,R2,RAT=  10  10    0.1164648101E-02     1.998873473        0.9988353519    
FOB,PFOB,DIAG,PSTEP=    0.2280224495E-05    0.2282883200E-05     603.7599286       -0.3781038754E-08
J1,K1,R1,R2,RAT=  11  11    0.1310412070E-01     1.986929226        0.9868958793    
FOB,PFOB,DIAG,PSTEP=   -0.1639876085E-05   -0.1661650187E-05     587.8646008        0.2826539444E-08
J1,K1,R1,R2,RAT= 109 109   -0.1031484209E-01     2.010242008        0.9896851579    
FOB,PFOB,DIAG,PSTEP=    0.7079094720E-04    0.7006817868E-04     13.80799642       -0.5074648655E-05
J1,K1,R1,R2,RAT= 110 110   -0.5582555506         147.0633322        0.4417444494    
FOB,PFOB,DIAG,PSTEP=    0.9034762710E-02    0.8966429798E-02     12.24043562       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     47.16685145        0.3271483927        0.6728516073    
FOB,PFOB,DIAG,PSTEP=    0.2330301104E-02   -0.2362852731E-02     9.950110491        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8240413542         178.0404461        0.1759586458    
FOB,PFOB,DIAG,PSTEP=   -0.9981956397E-02   -0.9889981238E-02     8.700693309        0.1282825787E-04
J1,K1,R1,R2,RAT= 113 113   -0.8027970840         340.1049212        0.1972029160    
FOB,PFOB,DIAG,PSTEP=   -0.2546973359E-01   -0.2534977722E-01     6.851052258        0.2181023193E-04
J1,K1,R1,R2,RAT= 114 114    0.9913219917        -892.9791944        0.8678008310E-02
FOB,PFOB,DIAG,PSTEP=   -0.7196718371       -0.7180757519         4.025143021       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001      0.00003      0.00000     -0.00002 
     0.00003      0.00003      0.00002     -0.00003      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00001      0.00003      0.00001     -0.00007 
    -0.00003     -0.00003     -0.00008      0.00002     -0.00005     -0.00001 
     0.00001     -0.00002     -0.00002     -0.00001      0.00002      0.00005 
     0.00004     -0.00001      0.00004      0.00001      0.00002      0.00006 
    -0.00002     -0.00006     -0.00002     -0.00005      0.00002      0.00000 
     0.00004     -0.00005     -0.00012      0.00009     -0.00003     -0.00010 
     0.00003     -0.00010      0.00006     -0.00003      0.00010     -0.00001 
     0.00007      0.00903      0.00233     -0.00998     -0.02547     -0.71967 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4190251286
 Log product of positive Hessian eigenvalues =          519.6584073583
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0251430214
 Unscaled step for mode    7=        0.0000000075
 Unscaled step for mode    8=        0.0000000083
 Unscaled step for mode    9=        0.0000000013
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000068
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000004
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000147
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000420
 Unscaled step for mode   20=       -0.0000000160
 Unscaled step for mode   21=       -0.0000000165
 Unscaled step for mode   22=        0.0000000230
 Unscaled step for mode   23=       -0.0000000027
 Unscaled step for mode   24=        0.0000000089
 Unscaled step for mode   25=        0.0000000618
 Unscaled step for mode   26=        0.0000001034
 Unscaled step for mode   27=        0.0000000531
 Unscaled step for mode   28=       -0.0000000449
 Unscaled step for mode   29=       -0.0000000554
 Unscaled step for mode   30=        0.0000000803
 Unscaled step for mode   31=        0.0000000591
 Unscaled step for mode   32=        0.0000000270
 Unscaled step for mode   33=       -0.0000000476
 Unscaled step for mode   34=       -0.0000000486
 Unscaled step for mode   35=       -0.0000000912
 Unscaled step for mode   36=       -0.0000000762
 Unscaled step for mode   37=        0.0000000763
 Unscaled step for mode   38=       -0.0000000043
 Unscaled step for mode   39=        0.0000000849
 Unscaled step for mode   40=        0.0000000740
 Unscaled step for mode   41=        0.0000001818
 Unscaled step for mode   42=        0.0000000644
 Unscaled step for mode   43=        0.0000000780
 Unscaled step for mode   44=        0.0000001409
 Unscaled step for mode   45=       -0.0000000056
 Unscaled step for mode   46=       -0.0000001369
 Unscaled step for mode   47=        0.0000001455
 Unscaled step for mode   48=       -0.0000000299
 Unscaled step for mode   49=       -0.0000001403
 Unscaled step for mode   50=       -0.0000000474
 Unscaled step for mode   51=        0.0000000946
 Unscaled step for mode   52=       -0.0000000269
 Unscaled step for mode   53=        0.0000000817
 Unscaled step for mode   54=        0.0000001203
 Unscaled step for mode   55=       -0.0000001282
 Unscaled step for mode   56=       -0.0000000383
 Unscaled step for mode   57=       -0.0000000797
 Unscaled step for mode   58=       -0.0000001686
 Unscaled step for mode   59=       -0.0000000222
 Unscaled step for mode   60=        0.0000001662
 Unscaled step for mode   61=       -0.0000002305
 Unscaled step for mode   62=       -0.0000002034
 Unscaled step for mode   63=       -0.0000001695
 Unscaled step for mode   64=        0.0000002463
 Unscaled step for mode   65=       -0.0000001805
 Unscaled step for mode   66=        0.0000001320
 Unscaled step for mode   67=        0.0000000803
 Unscaled step for mode   68=        0.0000000791
 Unscaled step for mode   69=        0.0000000576
 Unscaled step for mode   70=       -0.0000002595
 Unscaled step for mode   71=       -0.0000000604
 Unscaled step for mode   72=        0.0000006341
 Unscaled step for mode   73=        0.0000002863
 Unscaled step for mode   74=        0.0000002719
 Unscaled step for mode   75=        0.0000008377
 Unscaled step for mode   76=       -0.0000001731
 Unscaled step for mode   77=        0.0000005364
 Unscaled step for mode   78=        0.0000000858
 Unscaled step for mode   79=       -0.0000000928
 Unscaled step for mode   80=        0.0000002605
 Unscaled step for mode   81=        0.0000002989
 Unscaled step for mode   82=        0.0000001008
 Unscaled step for mode   83=       -0.0000002044
 Unscaled step for mode   84=       -0.0000006465
 Unscaled step for mode   85=       -0.0000005631
 Unscaled step for mode   86=        0.0000001603
 Unscaled step for mode   87=       -0.0000006686
 Unscaled step for mode   88=       -0.0000001340
 Unscaled step for mode   89=       -0.0000004153
 Unscaled step for mode   90=       -0.0000010336
 Unscaled step for mode   91=        0.0000002896
 Unscaled step for mode   92=        0.0000011102
 Unscaled step for mode   93=        0.0000003372
 Unscaled step for mode   94=        0.0000010115
 Unscaled step for mode   95=       -0.0000003673
 Unscaled step for mode   96=       -0.0000000610
 Unscaled step for mode   97=       -0.0000010115
 Unscaled step for mode   98=        0.0000012221
 Unscaled step for mode   99=        0.0000033239
 Unscaled step for mode  100=       -0.0000025033
 Unscaled step for mode  101=        0.0000007457
 Unscaled step for mode  102=        0.0000035936
 Unscaled step for mode  103=       -0.0000011315
 Unscaled step for mode  104=        0.0000038375
 Unscaled step for mode  105=       -0.0000027523
 Unscaled step for mode  106=        0.0000013194
 Unscaled step for mode  107=       -0.0000046425
 Unscaled step for mode  108=        0.0000004311
 Unscaled step for mode  109=       -0.0000051268
 Unscaled step for mode  110=       -0.0007381075
 Unscaled step for mode  111=       -0.0002341985
 Unscaled step for mode  112=        0.0011472584
 Unscaled step for mode  113=        0.0037175868
 Unscaled step for mode  114=       -0.1734171381
 Largest modulus ratio of non-zero e/values=           182.8493220    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.369930E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.105092E-14    0.100701E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.209251E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.389684E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.529091E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.775652E-15    0.973964E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.550752E-05    0.735995E+03  0.748310E-08 0.100000E-04    0.993688E+00
   8   -0.562478E-05    0.673923E+03  0.834633E-08 0.100000E-04    0.992656E+00
   9   -0.794585E-06    0.627465E+03  0.126634E-08 0.100000E-04    0.915723E+00
  10    0.228022E-05    0.603760E+03 -0.377671E-08 0.100000E-04    0.998835E+00
  11   -0.163988E-05    0.587865E+03  0.278955E-08 0.100000E-04    0.986896E+00
  12   -0.391010E-05    0.573219E+03  0.682131E-08 0.100000E-04    0.969403E+00
  13   -0.361292E-05    0.567076E+03  0.637114E-08 0.100000E-04    0.995933E+00
  14    0.177179E-06    0.483991E+03 -0.366078E-09 0.100000E-04    0.246594E+00
  15    0.189664E-05    0.464089E+03 -0.408680E-08 0.100000E-04    0.987579E+00
  16    0.678018E-05    0.461036E+03 -0.147064E-07 0.100000E-04    0.999431E+00
  17    0.460527E-05    0.441469E+03 -0.104317E-07 0.100000E-04    0.990813E+00
  18    0.493050E-05    0.429376E+03 -0.114830E-07 0.100000E-04    0.989629E+00
  19   -0.177411E-04    0.421979E+03  0.420427E-07 0.100000E-04    0.999136E+00
  20    0.653379E-05    0.408254E+03 -0.160042E-07 0.100000E-04    0.988507E+00
  21    0.655638E-05    0.397184E+03 -0.165072E-07 0.100000E-04    0.991712E+00
  22   -0.895733E-05    0.388754E+03  0.230411E-07 0.100000E-04    0.991012E+00
  23    0.100469E-05    0.368233E+03 -0.272841E-08 0.100000E-04    0.919123E+00
  24   -0.323184E-05    0.361397E+03  0.894263E-08 0.100000E-04    0.974266E+00
  25   -0.216679E-04    0.350538E+03  0.618132E-07 0.100000E-04    0.999687E+00
  26   -0.346858E-04    0.335532E+03  0.103376E-06 0.100000E-04    0.999053E+00
  27   -0.173257E-04    0.326500E+03  0.530647E-07 0.100000E-04    0.999476E+00
  28    0.144200E-04    0.321443E+03 -0.448603E-07 0.100000E-04    0.996685E+00
  29    0.177308E-04    0.320265E+03 -0.553629E-07 0.100000E-04    0.987104E+00
  30   -0.250259E-04    0.311751E+03  0.802754E-07 0.100000E-04    0.998343E+00
  31   -0.179210E-04    0.303409E+03  0.590654E-07 0.100000E-04    0.993673E+00
  32   -0.780039E-05    0.288973E+03  0.269935E-07 0.100000E-04    0.988090E+00
  33    0.132522E-04    0.278586E+03 -0.475693E-07 0.100000E-04    0.997240E+00
  34    0.131767E-04    0.270966E+03 -0.486285E-07 0.100000E-04    0.993866E+00
  35    0.243663E-04    0.267232E+03 -0.911803E-07 0.100000E-04    0.997900E+00
  36    0.201425E-04    0.264485E+03 -0.761573E-07 0.100000E-04    0.993364E+00
  37   -0.198544E-04    0.260238E+03  0.762930E-07 0.100000E-04    0.999001E+00
  38    0.109485E-05    0.253941E+03 -0.431144E-08 0.100000E-04    0.927446E+00
  39   -0.205526E-04    0.242087E+03  0.848977E-07 0.100000E-04    0.999341E+00
  40   -0.176803E-04    0.238773E+03  0.740465E-07 0.100000E-04    0.986325E+00
  41   -0.426562E-04    0.234569E+03  0.181849E-06 0.100000E-04    0.996110E+00
  42   -0.147087E-04    0.228317E+03  0.644222E-07 0.100000E-04    0.988760E+00
  43   -0.171030E-04    0.219329E+03  0.779787E-07 0.100000E-04    0.993896E+00
  44   -0.301575E-04    0.214075E+03  0.140873E-06 0.100000E-04    0.991776E+00
  45    0.119650E-05    0.212560E+03 -0.562900E-08 0.100000E-04    0.995030E+00
  46    0.283604E-04    0.207200E+03 -0.136874E-06 0.100000E-04    0.994942E+00
  47   -0.296249E-04    0.203575E+03  0.145523E-06 0.100000E-04    0.998733E+00
  48    0.590552E-05    0.197207E+03 -0.299457E-07 0.100000E-04    0.997909E+00
  49    0.273829E-04    0.195132E+03 -0.140330E-06 0.100000E-04    0.996177E+00
  50    0.907390E-05    0.191463E+03 -0.473925E-07 0.100000E-04    0.986701E+00
  51   -0.173899E-04    0.183879E+03  0.945725E-07 0.100000E-04    0.998979E+00
  52    0.469688E-05    0.174670E+03 -0.268901E-07 0.100000E-04    0.992823E+00
  53   -0.140545E-04    0.172062E+03  0.816824E-07 0.100000E-04    0.998958E+00
  54   -0.201544E-04    0.167602E+03  0.120252E-06 0.100000E-04    0.997287E+00
  55    0.211235E-04    0.164720E+03 -0.128239E-06 0.100000E-04    0.997636E+00
  56    0.607579E-05    0.158568E+03 -0.383165E-07 0.100000E-04    0.984611E+00
  57    0.122884E-04    0.154168E+03 -0.797079E-07 0.100000E-04    0.999011E+00
  58    0.255481E-04    0.151563E+03 -0.168564E-06 0.100000E-04    0.998143E+00
  59    0.328694E-05    0.148306E+03 -0.221633E-07 0.100000E-04    0.970528E+00
  60   -0.238215E-04    0.143359E+03  0.166167E-06 0.100000E-04    0.999572E+00
  61    0.316272E-04    0.137233E+03 -0.230463E-06 0.100000E-04    0.999878E+00
  62    0.276476E-04    0.135904E+03 -0.203436E-06 0.100000E-04    0.997754E+00
  63    0.221382E-04    0.130605E+03 -0.169505E-06 0.100000E-04    0.994424E+00
  64   -0.315886E-04    0.128237E+03  0.246330E-06 0.100000E-04    0.995614E+00
  65    0.227809E-04    0.126238E+03 -0.180460E-06 0.100000E-04    0.998216E+00
  66   -0.165508E-04    0.125430E+03  0.131953E-06 0.100000E-04    0.994339E+00
  67   -0.961991E-05    0.119810E+03  0.802930E-07 0.100000E-04    0.981190E+00
  68   -0.933777E-05    0.118102E+03  0.790650E-07 0.100000E-04    0.995148E+00
  69   -0.673949E-05    0.117074E+03  0.575663E-07 0.100000E-04    0.998825E+00
  70    0.287548E-04    0.110804E+03 -0.259510E-06 0.100000E-04    0.995017E+00
  71    0.649629E-05    0.107586E+03 -0.603826E-07 0.100000E-04    0.990641E+00
  72   -0.663544E-04    0.104646E+03  0.634083E-06 0.100000E-04    0.996350E+00
  73   -0.295157E-04    0.103090E+03  0.286310E-06 0.100000E-04    0.999452E+00
  74   -0.271186E-04    0.997331E+02  0.271912E-06 0.100000E-04    0.996352E+00
  75   -0.802275E-04    0.957759E+02  0.837659E-06 0.100000E-04    0.999098E+00
  76    0.163415E-04    0.943989E+02 -0.173111E-06 0.100000E-04    0.967736E+00
  77   -0.501032E-04    0.934032E+02  0.536419E-06 0.100000E-04    0.992273E+00
  78   -0.777483E-05    0.906534E+02  0.857644E-07 0.100000E-04    0.995742E+00
  79    0.830221E-05    0.895116E+02 -0.927501E-07 0.100000E-04    0.997069E+00
  80   -0.221725E-04    0.851050E+02  0.260531E-06 0.100000E-04    0.997974E+00
  81   -0.241814E-04    0.809031E+02  0.298894E-06 0.100000E-04    0.995872E+00
  82   -0.805488E-05    0.798999E+02  0.100812E-06 0.100000E-04    0.972507E+00
  83    0.159911E-04    0.782458E+02 -0.204370E-06 0.100000E-04    0.995116E+00
  84    0.471119E-04    0.728715E+02 -0.646506E-06 0.100000E-04    0.997597E+00
  85    0.407675E-04    0.723991E+02 -0.563094E-06 0.100000E-04    0.992722E+00
  86   -0.109405E-04    0.682574E+02  0.160283E-06 0.100000E-04    0.990425E+00
  87    0.441827E-04    0.660823E+02 -0.668600E-06 0.100000E-04    0.997221E+00
  88    0.844449E-05    0.630184E+02 -0.134000E-06 0.100000E-04    0.969683E+00
  89    0.248957E-04    0.599455E+02 -0.415306E-06 0.100000E-04    0.967448E+00
  90    0.616456E-04    0.596405E+02 -0.103362E-05 0.100000E-04    0.997914E+00
  91   -0.171041E-04    0.590602E+02  0.289605E-06 0.100000E-04    0.981785E+00
  92   -0.622286E-04    0.560497E+02  0.111024E-05 0.100000E-04    0.999535E+00
  93   -0.177582E-04    0.526672E+02  0.337178E-06 0.100000E-04    0.977442E+00
  94   -0.529168E-04    0.523139E+02  0.101152E-05 0.100000E-04    0.997201E+00
  95    0.183806E-04    0.500359E+02 -0.367349E-06 0.100000E-04    0.991789E+00
  96    0.288740E-05    0.473466E+02 -0.609844E-07 0.100000E-04    0.991067E+00
  97    0.433652E-04    0.428706E+02 -0.101154E-05 0.100000E-04    0.992991E+00
  98   -0.494831E-04    0.404909E+02  0.122208E-05 0.100000E-04    0.999919E+00
  99   -0.124928E-03    0.375842E+02  0.332395E-05 0.100000E-04    0.996900E+00
 100    0.908139E-04    0.362771E+02 -0.250334E-05 0.100000E-04    0.994663E+00
 101   -0.254567E-04    0.341396E+02  0.745665E-06 0.100000E-04    0.990366E+00
 102   -0.103494E-03    0.287994E+02  0.359361E-05 0.100000E-04    0.999545E+00
 103    0.323647E-04    0.286029E+02 -0.113152E-05 0.100000E-04    0.986197E+00
 104   -0.104293E-03    0.271771E+02  0.383753E-05 0.100000E-04    0.991859E+00
 105    0.634712E-04    0.230612E+02 -0.275229E-05 0.100000E-04    0.995989E+00
 106   -0.278800E-04    0.211315E+02  0.131936E-05 0.100000E-04    0.991509E+00
 107    0.954945E-04    0.205697E+02 -0.464249E-05 0.100000E-04    0.987837E+00
 108   -0.723725E-05    0.167896E+02  0.431055E-06 0.100000E-04    0.906254E+00
 109    0.707909E-04    0.138080E+02 -0.512681E-05 0.100000E-04    0.989685E+00
 110    0.903476E-02    0.122404E+02 -0.100000E-04 0.100000E-04    0.441744E+00
 111    0.233030E-02    0.995011E+01 -0.100000E-04 0.100000E-04    0.672852E+00
 112   -0.998196E-02    0.870069E+01  0.139828E-04 0.139828E-04    0.175959E+00
 113   -0.254697E-01    0.685105E+01  0.237732E-04 0.237732E-04    0.197203E+00
 114   -0.719672E+00    0.402514E+01 -0.400000E-03 0.400000E-03    0.867801E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1734171381    

 Beginning of optimization cycle  371.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3451961538
 potential> RMS force:                                               0.0676074817   |gradient|=.7218503723    
 Eigenvalues of the Hessian matrix:
   736.05866    673.93096    627.47842    603.74819    587.85476    573.26150 
   567.07719    484.01731    464.06527    461.02931    441.47113    429.36908 
   421.98173    408.25964    397.17849    388.75100    368.24222    361.38874 
   350.53063    335.51937    326.51567    321.44411    320.26089    311.73076 
   303.39394    288.98264    278.58200    270.97323    267.24028    264.49078 
   260.25623    253.94019    242.08233    238.78596    234.55784    228.31120 
   219.30862    214.08303    212.56716    207.19821    203.57423    197.19907 
   195.12859    191.46126    183.86955    174.66011    172.06727    167.60353 
   164.71202    158.55724    154.17320    151.56883    148.29631    143.36131 
   137.23684    135.90501    130.60393    128.24139    126.24156    125.42533 
   119.81183    118.10319    117.07460    110.79916    107.57881    104.64350 
   103.08984     99.73214     95.77455     94.38556     93.41431     90.65743 
    89.50591     85.10805     80.90272     79.90216     78.24468     72.87417 
    72.40354     68.25652     66.07064     63.01240     59.94401     59.63566 
    59.05907     56.04979     52.66472     52.31434     50.03512     47.34102 
    42.87090     40.49355     37.58817     36.27957     34.12720     28.79907 
    28.60158     27.16929     23.06326     21.12543     20.57317     16.78877 
    13.80851     12.24033      9.95156      8.69627      6.84308      4.01977 
overlap for current and previous eigenvector    109 is         0.9999997395
overlap for current and previous eigenvector    110 is         0.9999995907
overlap for current and previous eigenvector    111 is         0.9999994539
overlap for current and previous eigenvector    112 is         0.9999956512
overlap for current and previous eigenvector    113 is         0.9999959442
overlap for current and previous eigenvector    114 is         0.9999997089
J1,K1,R1,R2,RAT=   7   7   -0.6083129783E-02     2.005909266        0.9939168702    
FOB,PFOB,DIAG,PSTEP=   -0.5541028816E-05   -0.5507522927E-05     736.0586592        0.7483101622E-08
J1,K1,R1,R2,RAT=   8   8   -0.7590510266E-02     2.007567589        0.9924094897    
FOB,PFOB,DIAG,PSTEP=   -0.5667480087E-05   -0.5624784613E-05     673.9309629        0.8346328312E-08
J1,K1,R1,R2,RAT=   9   9   -0.8403014454E-01     2.083988961        0.9159698555    
FOB,PFOB,DIAG,PSTEP=   -0.8613549651E-06   -0.7945845367E-06     627.4784161        0.1266339811E-08
J1,K1,R1,R2,RAT=  10  10   -0.3553424413E-03     2.000394243        0.9996446576    
FOB,PFOB,DIAG,PSTEP=    0.2281034740E-05    0.2280224495E-05     603.7481855       -0.3776707242E-08
J1,K1,R1,R2,RAT=  11  11    0.1423033473E-01     1.985803160        0.9857696653    
FOB,PFOB,DIAG,PSTEP=   -0.1616540491E-05   -0.1639876085E-05     587.8547557        0.2789547258E-08
J1,K1,R1,R2,RAT= 109 109   -0.1165338963E-01     2.011579198        0.9883466104    
FOB,PFOB,DIAG,PSTEP=    0.7161593230E-04    0.7079094720E-04     13.80850866       -0.5126808050E-05
J1,K1,R1,R2,RAT= 110 110   -0.5479905981         148.1709003        0.4520094019    
FOB,PFOB,DIAG,PSTEP=    0.9101838545E-02    0.9034762710E-02     12.24032602       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3212945692         46.51158479        0.6787054308    
FOB,PFOB,DIAG,PSTEP=    0.2298327282E-02    0.2330301104E-02     9.951560254       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7511524527         164.9304273        0.2488475473    
FOB,PFOB,DIAG,PSTEP=   -0.1007329522E-01   -0.9981956397E-02     8.696272736        0.1398280107E-04
J1,K1,R1,R2,RAT= 113 113   -0.7510736157         313.8747362        0.2489263843    
FOB,PFOB,DIAG,PSTEP=   -0.2559191947E-01   -0.2546973359E-01     6.843081746        0.2377315280E-04
J1,K1,R1,R2,RAT= 114 114    0.9908688268        -896.1562972        0.9131173224E-02
FOB,PFOB,DIAG,PSTEP=   -0.7212650630       -0.7196718371         4.019770057       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001     -0.00003     -0.00000     -0.00002 
     0.00003      0.00003      0.00002     -0.00003      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00001      0.00003      0.00001     -0.00007 
    -0.00003      0.00003      0.00008      0.00002     -0.00005     -0.00001 
     0.00001     -0.00002     -0.00002     -0.00001     -0.00002     -0.00005 
     0.00004     -0.00001      0.00004      0.00001      0.00002      0.00006 
    -0.00002     -0.00006     -0.00002     -0.00005      0.00002      0.00000 
     0.00004     -0.00005     -0.00012     -0.00009     -0.00003     -0.00010 
     0.00003     -0.00011     -0.00006      0.00003      0.00009      0.00001 
     0.00007      0.00910      0.00230     -0.01007     -0.02559     -0.72127 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4188347741
 Log product of positive Hessian eigenvalues =          519.6543362379
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0197700575
 Unscaled step for mode    7=        0.0000000075
 Unscaled step for mode    8=        0.0000000084
 Unscaled step for mode    9=        0.0000000014
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000027
 Unscaled step for mode   12=        0.0000000070
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000005
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000147
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000421
 Unscaled step for mode   20=       -0.0000000158
 Unscaled step for mode   21=       -0.0000000164
 Unscaled step for mode   22=        0.0000000233
 Unscaled step for mode   23=       -0.0000000029
 Unscaled step for mode   24=        0.0000000092
 Unscaled step for mode   25=        0.0000000618
 Unscaled step for mode   26=        0.0000001035
 Unscaled step for mode   27=        0.0000000530
 Unscaled step for mode   28=       -0.0000000447
 Unscaled step for mode   29=       -0.0000000560
 Unscaled step for mode   30=        0.0000000805
 Unscaled step for mode   31=        0.0000000594
 Unscaled step for mode   32=        0.0000000274
 Unscaled step for mode   33=       -0.0000000477
 Unscaled step for mode   34=       -0.0000000489
 Unscaled step for mode   35=       -0.0000000914
 Unscaled step for mode   36=       -0.0000000768
 Unscaled step for mode   37=        0.0000000764
 Unscaled step for mode   38=       -0.0000000046
 Unscaled step for mode   39=        0.0000000849
 Unscaled step for mode   40=        0.0000000751
 Unscaled step for mode   41=        0.0000001826
 Unscaled step for mode   42=        0.0000000652
 Unscaled step for mode   43=        0.0000000785
 Unscaled step for mode   44=        0.0000001421
 Unscaled step for mode   45=       -0.0000000056
 Unscaled step for mode   46=       -0.0000001376
 Unscaled step for mode   47=        0.0000001457
 Unscaled step for mode   48=       -0.0000000298
 Unscaled step for mode   49=       -0.0000001409
 Unscaled step for mode   50=       -0.0000000467
 Unscaled step for mode   51=        0.0000000947
 Unscaled step for mode   52=       -0.0000000271
 Unscaled step for mode   53=        0.0000000815
 Unscaled step for mode   54=        0.0000001206
 Unscaled step for mode   55=       -0.0000001286
 Unscaled step for mode   56=       -0.0000000390
 Unscaled step for mode   57=       -0.0000000797
 Unscaled step for mode   58=        0.0000001689
 Unscaled step for mode   59=        0.0000000228
 Unscaled step for mode   60=        0.0000001661
 Unscaled step for mode   61=       -0.0000002304
 Unscaled step for mode   62=       -0.0000002030
 Unscaled step for mode   63=       -0.0000001684
 Unscaled step for mode   64=        0.0000002474
 Unscaled step for mode   65=       -0.0000001801
 Unscaled step for mode   66=        0.0000001312
 Unscaled step for mode   67=        0.0000000820
 Unscaled step for mode   68=        0.0000000787
 Unscaled step for mode   69=        0.0000000576
 Unscaled step for mode   70=       -0.0000002609
 Unscaled step for mode   71=       -0.0000000609
 Unscaled step for mode   72=        0.0000006364
 Unscaled step for mode   73=        0.0000002862
 Unscaled step for mode   74=       -0.0000002711
 Unscaled step for mode   75=       -0.0000008385
 Unscaled step for mode   76=       -0.0000001786
 Unscaled step for mode   77=        0.0000005323
 Unscaled step for mode   78=        0.0000000859
 Unscaled step for mode   79=       -0.0000000926
 Unscaled step for mode   80=        0.0000002599
 Unscaled step for mode   81=        0.0000003003
 Unscaled step for mode   82=        0.0000001035
 Unscaled step for mode   83=        0.0000002032
 Unscaled step for mode   84=        0.0000006482
 Unscaled step for mode   85=       -0.0000005588
 Unscaled step for mode   86=        0.0000001616
 Unscaled step for mode   87=       -0.0000006663
 Unscaled step for mode   88=       -0.0000001384
 Unscaled step for mode   89=       -0.0000004015
 Unscaled step for mode   90=       -0.0000010347
 Unscaled step for mode   91=        0.0000002941
 Unscaled step for mode   92=        0.0000011099
 Unscaled step for mode   93=        0.0000003288
 Unscaled step for mode   94=        0.0000010147
 Unscaled step for mode   95=       -0.0000003644
 Unscaled step for mode   96=       -0.0000000608
 Unscaled step for mode   97=       -0.0000010034
 Unscaled step for mode   98=        0.0000012225
 Unscaled step for mode   99=        0.0000033133
 Unscaled step for mode  100=        0.0000024899
 Unscaled step for mode  101=        0.0000007344
 Unscaled step for mode  102=        0.0000035923
 Unscaled step for mode  103=       -0.0000011470
 Unscaled step for mode  104=        0.0000038705
 Unscaled step for mode  105=        0.0000027380
 Unscaled step for mode  106=       -0.0000013016
 Unscaled step for mode  107=       -0.0000045873
 Unscaled step for mode  108=       -0.0000003720
 Unscaled step for mode  109=       -0.0000051864
 Unscaled step for mode  110=       -0.0007435940
 Unscaled step for mode  111=       -0.0002309514
 Unscaled step for mode  112=        0.0011583447
 Unscaled step for mode  113=        0.0037397714
 Unscaled step for mode  114=       -0.1739972024
 Largest modulus ratio of non-zero e/values=           183.1096428    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.647269E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.683156E-15    0.100701E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.341469E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.147929E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.315712E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.153875E-15    0.973966E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.554103E-05    0.736059E+03  0.752797E-08 0.100000E-04    0.993917E+00
   8   -0.566748E-05    0.673931E+03  0.840959E-08 0.100000E-04    0.992409E+00
   9   -0.861355E-06    0.627478E+03  0.137272E-08 0.100000E-04    0.915970E+00
  10    0.228103E-05    0.603748E+03 -0.377812E-08 0.100000E-04    0.999645E+00
  11   -0.161654E-05    0.587855E+03  0.274990E-08 0.100000E-04    0.985770E+00
  12   -0.403386E-05    0.573261E+03  0.703668E-08 0.100000E-04    0.968351E+00
  13   -0.359743E-05    0.567077E+03  0.634381E-08 0.100000E-04    0.995708E+00
  14    0.258858E-06    0.484017E+03 -0.534812E-09 0.100000E-04    0.539024E+00
  15    0.186966E-05    0.464065E+03 -0.402888E-08 0.100000E-04    0.985776E+00
  16    0.678006E-05    0.461029E+03 -0.147064E-07 0.100000E-04    0.999982E+00
  17    0.456577E-05    0.441471E+03 -0.103422E-07 0.100000E-04    0.991412E+00
  18    0.486904E-05    0.429369E+03 -0.113400E-07 0.100000E-04    0.987533E+00
  19   -0.177525E-04    0.421982E+03  0.420694E-07 0.100000E-04    0.999358E+00
  20    0.645476E-05    0.408260E+03 -0.158104E-07 0.100000E-04    0.987877E+00
  21    0.649918E-05    0.397178E+03 -0.163634E-07 0.100000E-04    0.991276E+00
  22   -0.904502E-05    0.388751E+03  0.232669E-07 0.100000E-04    0.990210E+00
  23    0.108433E-05    0.368242E+03 -0.294460E-08 0.100000E-04    0.920737E+00
  24   -0.331122E-05    0.361389E+03  0.916249E-08 0.100000E-04    0.975438E+00
  25   -0.216715E-04    0.350531E+03  0.618249E-07 0.100000E-04    0.999832E+00
  26   -0.347116E-04    0.335519E+03  0.103456E-06 0.100000E-04    0.999257E+00
  27   -0.173129E-04    0.326516E+03  0.530232E-07 0.100000E-04    0.999169E+00
  28    0.143602E-04    0.321444E+03 -0.446739E-07 0.100000E-04    0.995840E+00
  29    0.179460E-04    0.320261E+03 -0.560357E-07 0.100000E-04    0.987861E+00
  30   -0.250881E-04    0.311731E+03  0.804802E-07 0.100000E-04    0.997514E+00
  31   -0.180311E-04    0.303394E+03  0.594314E-07 0.100000E-04    0.993851E+00
  32   -0.791066E-05    0.288983E+03  0.273742E-07 0.100000E-04    0.985863E+00
  33    0.132858E-04    0.278582E+03 -0.476908E-07 0.100000E-04    0.997460E+00
  34    0.132544E-04    0.270973E+03 -0.489140E-07 0.100000E-04    0.994104E+00
  35    0.244279E-04    0.267240E+03 -0.914080E-07 0.100000E-04    0.997471E+00
  36    0.203052E-04    0.264491E+03 -0.767711E-07 0.100000E-04    0.991921E+00
  37   -0.198729E-04    0.260256E+03  0.763590E-07 0.100000E-04    0.999066E+00
  38    0.116373E-05    0.253940E+03 -0.458269E-08 0.100000E-04    0.937088E+00
  39   -0.205639E-04    0.242082E+03  0.849460E-07 0.100000E-04    0.999449E+00
  40   -0.179260E-04    0.238786E+03  0.750715E-07 0.100000E-04    0.986102E+00
  41   -0.428295E-04    0.234558E+03  0.182597E-06 0.100000E-04    0.995937E+00
  42   -0.148952E-04    0.228311E+03  0.652407E-07 0.100000E-04    0.987319E+00
  43   -0.172137E-04    0.219309E+03  0.784910E-07 0.100000E-04    0.993525E+00
  44   -0.304153E-04    0.214083E+03  0.142072E-06 0.100000E-04    0.991452E+00
  45    0.119580E-05    0.212567E+03 -0.562550E-08 0.100000E-04    0.999347E+00
  46    0.285088E-04    0.207198E+03 -0.137592E-06 0.100000E-04    0.994767E+00
  47   -0.296697E-04    0.203574E+03  0.145744E-06 0.100000E-04    0.998485E+00
  48    0.588179E-05    0.197199E+03 -0.298267E-07 0.100000E-04    0.995982E+00
  49    0.274873E-04    0.195129E+03 -0.140868E-06 0.100000E-04    0.996188E+00
  50    0.893678E-05    0.191461E+03 -0.466767E-07 0.100000E-04    0.984888E+00
  51   -0.174035E-04    0.183870E+03  0.946514E-07 0.100000E-04    0.999218E+00
  52    0.472599E-05    0.174660E+03 -0.270582E-07 0.100000E-04    0.993803E+00
  53   -0.140299E-04    0.172067E+03  0.815371E-07 0.100000E-04    0.998192E+00
  54   -0.202115E-04    0.167604E+03  0.120591E-06 0.100000E-04    0.997164E+00
  55    0.211864E-04    0.164712E+03 -0.128627E-06 0.100000E-04    0.997022E+00
  56    0.618381E-05    0.158557E+03 -0.390005E-07 0.100000E-04    0.982219E+00
  57    0.122821E-04    0.154173E+03 -0.796643E-07 0.100000E-04    0.999419E+00
  58   -0.256000E-04    0.151569E+03  0.168900E-06 0.100000E-04    0.997967E+00
  59   -0.338761E-05    0.148296E+03  0.228435E-07 0.100000E-04    0.969371E+00
  60   -0.238082E-04    0.143361E+03  0.166071E-06 0.100000E-04    0.999410E+00
  61    0.316177E-04    0.137237E+03 -0.230388E-06 0.100000E-04    0.999646E+00
  62    0.275892E-04    0.135905E+03 -0.203004E-06 0.100000E-04    0.997865E+00
  63    0.219970E-04    0.130604E+03 -0.168425E-06 0.100000E-04    0.993619E+00
  64   -0.317244E-04    0.128241E+03  0.247380E-06 0.100000E-04    0.995700E+00
  65    0.227303E-04    0.126242E+03 -0.180054E-06 0.100000E-04    0.997719E+00
  66   -0.164553E-04    0.125425E+03  0.131196E-06 0.100000E-04    0.994225E+00
  67   -0.981992E-05    0.119812E+03  0.819612E-07 0.100000E-04    0.979209E+00
  68   -0.929522E-05    0.118103E+03  0.787042E-07 0.100000E-04    0.995430E+00
  69   -0.673855E-05    0.117075E+03  0.575577E-07 0.100000E-04    0.999841E+00
  70    0.289033E-04    0.110799E+03 -0.260862E-06 0.100000E-04    0.994838E+00
  71    0.655611E-05    0.107579E+03 -0.609424E-07 0.100000E-04    0.990791E+00
  72   -0.665975E-04    0.104644E+03  0.636422E-06 0.100000E-04    0.996336E+00
  73   -0.295064E-04    0.103090E+03  0.286220E-06 0.100000E-04    0.999685E+00
  74    0.270328E-04    0.997321E+02 -0.271054E-06 0.100000E-04    0.996836E+00
  75    0.803057E-04    0.957746E+02 -0.838486E-06 0.100000E-04    0.999026E+00
  76    0.168618E-04    0.943856E+02 -0.178648E-06 0.100000E-04    0.968154E+00
  77   -0.497258E-04    0.934143E+02  0.532315E-06 0.100000E-04    0.992229E+00
  78   -0.778896E-05    0.906574E+02  0.859164E-07 0.100000E-04    0.998183E+00
  79    0.828800E-05    0.895059E+02 -0.925972E-07 0.100000E-04    0.998288E+00
  80   -0.221212E-04    0.851081E+02  0.259919E-06 0.100000E-04    0.997613E+00
  81   -0.242921E-04    0.809027E+02  0.300263E-06 0.100000E-04    0.995423E+00
  82   -0.826972E-05    0.799022E+02  0.103498E-06 0.100000E-04    0.973328E+00
  83   -0.158964E-04    0.782447E+02  0.203163E-06 0.100000E-04    0.994079E+00
  84   -0.472349E-04    0.728742E+02  0.648171E-06 0.100000E-04    0.997389E+00
  85    0.404562E-04    0.724035E+02 -0.558760E-06 0.100000E-04    0.992242E+00
  86   -0.110308E-04    0.682565E+02  0.161608E-06 0.100000E-04    0.991746E+00
  87    0.440196E-04    0.660706E+02 -0.666250E-06 0.100000E-04    0.996308E+00
  88    0.872320E-05    0.630124E+02 -0.138436E-06 0.100000E-04    0.966991E+00
  89    0.240648E-04    0.599440E+02 -0.401455E-06 0.100000E-04    0.966624E+00
  90    0.617066E-04    0.596357E+02 -0.103473E-05 0.100000E-04    0.999011E+00
  91   -0.173708E-04    0.590591E+02  0.294125E-06 0.100000E-04    0.984410E+00
  92   -0.622089E-04    0.560498E+02  0.110989E-05 0.100000E-04    0.999681E+00
  93   -0.173135E-04    0.526647E+02  0.328750E-06 0.100000E-04    0.974956E+00
  94   -0.530845E-04    0.523143E+02  0.101472E-05 0.100000E-04    0.996832E+00
  95    0.182310E-04    0.500351E+02 -0.364365E-06 0.100000E-04    0.991861E+00
  96    0.287707E-05    0.473410E+02 -0.607734E-07 0.100000E-04    0.996422E+00
  97    0.430146E-04    0.428709E+02 -0.100335E-05 0.100000E-04    0.991900E+00
  98   -0.495038E-04    0.404935E+02  0.122251E-05 0.100000E-04    0.999582E+00
  99   -0.124542E-03    0.375882E+02  0.331333E-05 0.100000E-04    0.996701E+00
 100   -0.903321E-04    0.362796E+02  0.248989E-05 0.100000E-04    0.994559E+00
 101   -0.250629E-04    0.341272E+02  0.734398E-06 0.100000E-04    0.984528E+00
 102   -0.103455E-03    0.287991E+02  0.359229E-05 0.100000E-04    0.999622E+00
 103    0.328071E-04    0.286016E+02 -0.114704E-05 0.100000E-04    0.986332E+00
 104   -0.105158E-03    0.271693E+02  0.387046E-05 0.100000E-04    0.991707E+00
 105   -0.631475E-04    0.230633E+02  0.273801E-05 0.100000E-04    0.994722E+00
 106    0.274960E-04    0.211254E+02 -0.130156E-05 0.100000E-04    0.986224E+00
 107    0.943752E-04    0.205732E+02 -0.458730E-05 0.100000E-04    0.987943E+00
 108    0.624495E-05    0.167888E+02 -0.371972E-06 0.100000E-04    0.862883E+00
 109    0.716159E-04    0.138085E+02 -0.518636E-05 0.100000E-04    0.988347E+00
 110    0.910184E-02    0.122403E+02 -0.100000E-04 0.100000E-04    0.452009E+00
 111    0.229833E-02    0.995156E+01 -0.100000E-04 0.100000E-04    0.678705E+00
 112   -0.100733E-01    0.869627E+01  0.125971E-04 0.125971E-04    0.248848E+00
 113   -0.255919E-01    0.684308E+01  0.214173E-04 0.214173E-04    0.248926E+00
 114   -0.721265E+00    0.401977E+01 -0.400000E-03 0.400000E-03    0.913117E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1739972024    

 Beginning of optimization cycle  372.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3449081135
 potential> RMS force:                                               0.0677570388   |gradient|=.7234472052    
 Eigenvalues of the Hessian matrix:
   736.12256    673.93883    627.49110    603.73653    587.84499    573.30425 
   567.07910    484.04379    464.04201    461.02311    441.47346    429.36215 
   421.98460    408.26574    397.17343    388.74825    368.25116    361.38047 
   350.52317    335.50689    326.53097    321.44573    320.25666    311.71068 
   303.37915    288.99267    278.57757    270.98040    267.24844    264.49605 
   260.27403    253.93988    242.07788    238.79915    234.54613    228.30555 
   219.28775    214.09050    212.57386    207.19600    203.57387    197.19070 
   195.12492    191.45953    183.85983    174.65065    172.07211    167.60555 
   164.70355    158.54598    154.17830    151.57472    148.28696    143.36344 
   137.24046    135.90643    130.60243    128.24599    126.24537    125.42065 
   119.81348    118.10393    117.07568    110.79390    107.57215    104.64078 
   103.08945     99.73118     95.77336     94.37211     93.42542     90.66141 
    89.50019     85.11101     80.90234     79.90435     78.24351     72.87684 
    72.40809     68.25568     66.05906     63.00630     59.94264     59.63074 
    59.05788     56.04987     52.66226     52.31478     50.03434     47.33544 
    42.87120     40.49621     37.59211     36.28202     34.11487     28.79874 
    28.60027     27.16143     23.06533     21.11947     20.57652     16.78793 
    13.80901     12.24022      9.95302      8.69170      6.83506      4.01439 
overlap for current and previous eigenvector    109 is         0.9999997367
overlap for current and previous eigenvector    110 is         0.9999995910
overlap for current and previous eigenvector    111 is        -0.9999994632
overlap for current and previous eigenvector    112 is         0.9999955690
overlap for current and previous eigenvector    113 is         0.9999958626
overlap for current and previous eigenvector    114 is         0.9999997214
J1,K1,R1,R2,RAT=   7   7   -0.5575136995E-02     2.005401514        0.9944248630    
FOB,PFOB,DIAG,PSTEP=   -0.5571923493E-05   -0.5541028816E-05     736.1225630        0.7527971782E-08
J1,K1,R1,R2,RAT=   8   8    0.1329522177E-02     1.998647144        0.9986471442    
FOB,PFOB,DIAG,PSTEP=   -0.5659944959E-05   -0.5667480087E-05     673.9388256        0.8409585550E-08
J1,K1,R1,R2,RAT=   9   9    0.5368320606E-01     1.946276371        0.9462763715    
FOB,PFOB,DIAG,PSTEP=   -0.8151137344E-06   -0.8613549651E-06     627.4910985        0.1372724452E-08
J1,K1,R1,R2,RAT=  10  10   -0.1053198144E-01     2.010570597        0.9894680186    
FOB,PFOB,DIAG,PSTEP=    0.2305058091E-05    0.2281034740E-05     603.7365288       -0.3778122725E-08
J1,K1,R1,R2,RAT=  11  11   -0.2865503816E-01     2.028688265        0.9713449618    
FOB,PFOB,DIAG,PSTEP=   -0.1662861751E-05   -0.1616540491E-05     587.8449896        0.2749897785E-08
J1,K1,R1,R2,RAT= 109 109    0.1640924126E-01     1.983517617        0.9835176166    
FOB,PFOB,DIAG,PSTEP=    0.7044072621E-04    0.7161593230E-04     13.80901367       -0.5186362558E-05
J1,K1,R1,R2,RAT= 110 110   -0.5618892647         149.2820876        0.4381107353    
FOB,PFOB,DIAG,PSTEP=    0.9170615018E-02    0.9101838545E-02     12.24021840       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     45.85218155        0.3313431951        0.6686568049    
FOB,PFOB,DIAG,PSTEP=   -0.2265348634E-02    0.2298327282E-02     9.953018069       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8569222936         184.8601420        0.1430777064    
FOB,PFOB,DIAG,PSTEP=   -0.1016712001E-01   -0.1007329522E-01     8.691704144        0.1259711808E-04
J1,K1,R1,R2,RAT= 113 113   -0.8381733313         350.4829330        0.1618266687    
FOB,PFOB,DIAG,PSTEP=   -0.2571461809E-01   -0.2559191947E-01     6.835055252        0.2141725478E-04
J1,K1,R1,R2,RAT= 114 114    0.9912404370        -899.3396734        0.8759562997E-02
FOB,PFOB,DIAG,PSTEP=   -0.7228567552       -0.7212650630         4.014394841       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000      0.00001     -0.00002 
     0.00002      0.00001      0.00001     -0.00003      0.00000     -0.00002 
     0.00003      0.00003      0.00002     -0.00003     -0.00002      0.00002 
     0.00001      0.00001      0.00001      0.00003      0.00001     -0.00007 
    -0.00003      0.00003      0.00008     -0.00002     -0.00005      0.00001 
     0.00001     -0.00002     -0.00002     -0.00001     -0.00002     -0.00005 
     0.00004     -0.00001      0.00004      0.00001      0.00002      0.00006 
    -0.00002     -0.00006     -0.00002     -0.00005     -0.00002      0.00000 
     0.00004     -0.00005      0.00013      0.00009     -0.00003     -0.00010 
     0.00003     -0.00011     -0.00006      0.00003     -0.00009      0.00001 
     0.00007      0.00917     -0.00227     -0.01017     -0.02571     -0.72286 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4186454734
 Log product of positive Hessian eigenvalues =          519.6502296430
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0143948412
 Unscaled step for mode    7=        0.0000000076
 Unscaled step for mode    8=        0.0000000084
 Unscaled step for mode    9=        0.0000000013
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000069
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000005
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000148
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000422
 Unscaled step for mode   20=       -0.0000000159
 Unscaled step for mode   21=       -0.0000000165
 Unscaled step for mode   22=        0.0000000232
 Unscaled step for mode   23=       -0.0000000027
 Unscaled step for mode   24=        0.0000000091
 Unscaled step for mode   25=        0.0000000621
 Unscaled step for mode   26=        0.0000001036
 Unscaled step for mode   27=        0.0000000532
 Unscaled step for mode   28=       -0.0000000447
 Unscaled step for mode   29=       -0.0000000567
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000596
 Unscaled step for mode   32=        0.0000000272
 Unscaled step for mode   33=       -0.0000000478
 Unscaled step for mode   34=       -0.0000000492
 Unscaled step for mode   35=       -0.0000000912
 Unscaled step for mode   36=       -0.0000000766
 Unscaled step for mode   37=        0.0000000766
 Unscaled step for mode   38=       -0.0000000047
 Unscaled step for mode   39=        0.0000000852
 Unscaled step for mode   40=        0.0000000754
 Unscaled step for mode   41=        0.0000001826
 Unscaled step for mode   42=        0.0000000650
 Unscaled step for mode   43=        0.0000000786
 Unscaled step for mode   44=        0.0000001420
 Unscaled step for mode   45=       -0.0000000059
 Unscaled step for mode   46=       -0.0000001379
 Unscaled step for mode   47=        0.0000001452
 Unscaled step for mode   48=       -0.0000000303
 Unscaled step for mode   49=       -0.0000001409
 Unscaled step for mode   50=       -0.0000000475
 Unscaled step for mode   51=        0.0000000949
 Unscaled step for mode   52=       -0.0000000274
 Unscaled step for mode   53=       -0.0000000821
 Unscaled step for mode   54=        0.0000001211
 Unscaled step for mode   55=       -0.0000001286
 Unscaled step for mode   56=       -0.0000000382
 Unscaled step for mode   57=       -0.0000000807
 Unscaled step for mode   58=        0.0000001690
 Unscaled step for mode   59=       -0.0000000228
 Unscaled step for mode   60=        0.0000001668
 Unscaled step for mode   61=       -0.0000002323
 Unscaled step for mode   62=       -0.0000002025
 Unscaled step for mode   63=       -0.0000001692
 Unscaled step for mode   64=        0.0000002487
 Unscaled step for mode   65=        0.0000001820
 Unscaled step for mode   66=       -0.0000001303
 Unscaled step for mode   67=       -0.0000000812
 Unscaled step for mode   68=       -0.0000000792
 Unscaled step for mode   69=       -0.0000000582
 Unscaled step for mode   70=       -0.0000002605
 Unscaled step for mode   71=       -0.0000000606
 Unscaled step for mode   72=        0.0000006385
 Unscaled step for mode   73=        0.0000002872
 Unscaled step for mode   74=       -0.0000002712
 Unscaled step for mode   75=       -0.0000008406
 Unscaled step for mode   76=        0.0000001839
 Unscaled step for mode   77=        0.0000005306
 Unscaled step for mode   78=       -0.0000000891
 Unscaled step for mode   79=       -0.0000000922
 Unscaled step for mode   80=        0.0000002606
 Unscaled step for mode   81=        0.0000003003
 Unscaled step for mode   82=        0.0000001042
 Unscaled step for mode   83=        0.0000002044
 Unscaled step for mode   84=        0.0000006526
 Unscaled step for mode   85=       -0.0000005603
 Unscaled step for mode   86=        0.0000001658
 Unscaled step for mode   87=       -0.0000006703
 Unscaled step for mode   88=       -0.0000001363
 Unscaled step for mode   89=       -0.0000003876
 Unscaled step for mode   90=       -0.0000010456
 Unscaled step for mode   91=        0.0000003055
 Unscaled step for mode   92=        0.0000011103
 Unscaled step for mode   93=        0.0000003245
 Unscaled step for mode   94=        0.0000010169
 Unscaled step for mode   95=        0.0000003627
 Unscaled step for mode   96=       -0.0000000544
 Unscaled step for mode   97=       -0.0000010155
 Unscaled step for mode   98=        0.0000012314
 Unscaled step for mode   99=       -0.0000033273
 Unscaled step for mode  100=       -0.0000024951
 Unscaled step for mode  101=        0.0000007540
 Unscaled step for mode  102=        0.0000036040
 Unscaled step for mode  103=       -0.0000011499
 Unscaled step for mode  104=        0.0000038716
 Unscaled step for mode  105=        0.0000027707
 Unscaled step for mode  106=       -0.0000013908
 Unscaled step for mode  107=        0.0000046010
 Unscaled step for mode  108=       -0.0000004698
 Unscaled step for mode  109=       -0.0000051011
 Unscaled step for mode  110=       -0.0007492195
 Unscaled step for mode  111=        0.0002276042
 Unscaled step for mode  112=        0.0011697483
 Unscaled step for mode  113=        0.0037621136
 Unscaled step for mode  114=       -0.1745782066
 Largest modulus ratio of non-zero e/values=           183.3707426    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.285579E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.169385E-14    0.100700E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.580641E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.106685E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.268557E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.266619E-15    0.973967E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.557192E-05    0.736123E+03  0.756929E-08 0.100000E-04    0.994425E+00
   8   -0.565994E-05    0.673939E+03  0.839831E-08 0.100000E-04    0.998647E+00
   9   -0.815114E-06    0.627491E+03  0.129900E-08 0.100000E-04    0.946276E+00
  10    0.230506E-05    0.603737E+03 -0.381799E-08 0.100000E-04    0.989468E+00
  11   -0.166286E-05    0.587845E+03  0.282874E-08 0.100000E-04    0.971345E+00
  12   -0.397660E-05    0.573304E+03  0.693628E-08 0.100000E-04    0.985657E+00
  13   -0.362012E-05    0.567079E+03  0.638380E-08 0.100000E-04    0.993692E+00
  14    0.261001E-06    0.484044E+03 -0.539210E-09 0.100000E-04    0.991722E+00
  15    0.191090E-05    0.464042E+03 -0.411794E-08 0.100000E-04    0.977945E+00
  16    0.681915E-05    0.461023E+03 -0.147913E-07 0.100000E-04    0.994234E+00
  17    0.463096E-05    0.441473E+03 -0.104898E-07 0.100000E-04    0.985722E+00
  18    0.493798E-05    0.429362E+03 -0.115007E-07 0.100000E-04    0.985839E+00
  19   -0.178228E-04    0.421985E+03  0.422356E-07 0.100000E-04    0.996042E+00
  20    0.649647E-05    0.408266E+03 -0.159124E-07 0.100000E-04    0.993538E+00
  21    0.653494E-05    0.397173E+03 -0.164536E-07 0.100000E-04    0.994497E+00
  22   -0.903242E-05    0.388748E+03  0.232346E-07 0.100000E-04    0.998607E+00
  23    0.100519E-05    0.368251E+03 -0.272962E-08 0.100000E-04    0.926967E+00
  24   -0.329297E-05    0.361380E+03  0.911219E-08 0.100000E-04    0.994487E+00
  25   -0.217653E-04    0.350523E+03  0.620937E-07 0.100000E-04    0.995673E+00
  26   -0.347733E-04    0.335507E+03  0.103644E-06 0.100000E-04    0.998221E+00
  27   -0.173657E-04    0.326531E+03  0.531824E-07 0.100000E-04    0.996950E+00
  28    0.143664E-04    0.321446E+03 -0.446932E-07 0.100000E-04    0.999563E+00
  29    0.181658E-04    0.320257E+03 -0.567225E-07 0.100000E-04    0.987756E+00
  30   -0.250044E-04    0.311711E+03  0.802168E-07 0.100000E-04    0.996663E+00
  31   -0.180786E-04    0.303379E+03  0.595908E-07 0.100000E-04    0.997368E+00
  32   -0.787494E-05    0.288993E+03  0.272496E-07 0.100000E-04    0.995415E+00
  33    0.133239E-04    0.278578E+03 -0.478284E-07 0.100000E-04    0.997132E+00
  34    0.133236E-04    0.270980E+03 -0.491681E-07 0.100000E-04    0.994778E+00
  35    0.243767E-04    0.267248E+03 -0.912136E-07 0.100000E-04    0.997842E+00
  36    0.202592E-04    0.264496E+03 -0.765954E-07 0.100000E-04    0.997692E+00
  37   -0.199435E-04    0.260274E+03  0.766251E-07 0.100000E-04    0.996447E+00
  38    0.119700E-05    0.253940E+03 -0.471372E-08 0.100000E-04    0.971408E+00
  39   -0.206240E-04    0.242078E+03  0.851958E-07 0.100000E-04    0.997077E+00
  40   -0.179999E-04    0.238799E+03  0.753768E-07 0.100000E-04    0.995877E+00
  41   -0.428386E-04    0.234546E+03  0.182645E-06 0.100000E-04    0.999788E+00
  42   -0.148440E-04    0.228306E+03  0.650181E-07 0.100000E-04    0.996564E+00
  43   -0.172423E-04    0.219288E+03  0.786286E-07 0.100000E-04    0.998342E+00
  44   -0.304040E-04    0.214091E+03  0.142015E-06 0.100000E-04    0.999559E+00
  45    0.125258E-05    0.212574E+03 -0.589243E-08 0.100000E-04    0.952519E+00
  46    0.285640E-04    0.207196E+03 -0.137860E-06 0.100000E-04    0.998061E+00
  47   -0.295609E-04    0.203574E+03  0.145209E-06 0.100000E-04    0.996330E+00
  48    0.596754E-05    0.197191E+03 -0.302628E-07 0.100000E-04    0.985419E+00
  49    0.275023E-04    0.195125E+03 -0.140947E-06 0.100000E-04    0.999456E+00
  50    0.909262E-05    0.191460E+03 -0.474911E-07 0.100000E-04    0.982563E+00
  51   -0.174551E-04    0.183860E+03  0.949371E-07 0.100000E-04    0.997034E+00
  52    0.477701E-05    0.174651E+03 -0.273518E-07 0.100000E-04    0.989204E+00
  53    0.141260E-04    0.172072E+03 -0.820933E-07 0.100000E-04    0.993150E+00
  54   -0.203049E-04    0.167606E+03  0.121147E-06 0.100000E-04    0.995379E+00
  55    0.211728E-04    0.164704E+03 -0.128551E-06 0.100000E-04    0.999356E+00
  56    0.606200E-05    0.158546E+03 -0.382350E-07 0.100000E-04    0.980300E+00
  57    0.124397E-04    0.154178E+03 -0.806838E-07 0.100000E-04    0.987170E+00
  58   -0.256220E-04    0.151575E+03  0.169039E-06 0.100000E-04    0.999142E+00
  59    0.338268E-05    0.148287E+03 -0.228117E-07 0.100000E-04    0.998545E+00
  60   -0.239132E-04    0.143363E+03  0.166801E-06 0.100000E-04    0.995588E+00
  61    0.318787E-04    0.137240E+03 -0.232284E-06 0.100000E-04    0.991744E+00
  62    0.275183E-04    0.135906E+03 -0.202480E-06 0.100000E-04    0.997409E+00
  63    0.220985E-04    0.130602E+03 -0.169205E-06 0.100000E-04    0.995383E+00
  64   -0.318886E-04    0.128246E+03  0.248652E-06 0.100000E-04    0.994824E+00
  65   -0.229767E-04    0.126245E+03  0.182000E-06 0.100000E-04    0.989160E+00
  66    0.163374E-04    0.125421E+03 -0.130261E-06 0.100000E-04    0.992836E+00
  67    0.973177E-05    0.119813E+03 -0.812243E-07 0.100000E-04    0.990996E+00
  68    0.935898E-05    0.118104E+03 -0.792436E-07 0.100000E-04    0.993140E+00
  69    0.681608E-05    0.117076E+03 -0.582194E-07 0.100000E-04    0.988494E+00
  70    0.288587E-04    0.110794E+03 -0.260472E-06 0.100000E-04    0.998459E+00
  71    0.651440E-05    0.107572E+03 -0.605584E-07 0.100000E-04    0.993638E+00
  72   -0.668095E-04    0.104641E+03  0.638465E-06 0.100000E-04    0.996816E+00
  73   -0.296114E-04    0.103089E+03  0.287240E-06 0.100000E-04    0.996441E+00
  74    0.270485E-04    0.997312E+02 -0.271214E-06 0.100000E-04    0.999419E+00
  75    0.805083E-04    0.957734E+02 -0.840613E-06 0.100000E-04    0.997476E+00
  76   -0.173519E-04    0.943721E+02  0.183867E-06 0.100000E-04    0.970927E+00
  77   -0.495742E-04    0.934254E+02  0.530629E-06 0.100000E-04    0.996713E+00
  78    0.807343E-05    0.906614E+02 -0.890503E-07 0.100000E-04    0.963480E+00
  79    0.824890E-05    0.895002E+02 -0.921663E-07 0.100000E-04    0.995282E+00
  80   -0.221801E-04    0.851110E+02  0.260602E-06 0.100000E-04    0.997336E+00
  81   -0.242936E-04    0.809023E+02  0.300283E-06 0.100000E-04    0.999935E+00
  82   -0.832325E-05    0.799043E+02  0.104165E-06 0.100000E-04    0.993527E+00
  83   -0.159932E-04    0.782435E+02  0.204403E-06 0.100000E-04    0.993911E+00
  84   -0.475583E-04    0.728768E+02  0.652585E-06 0.100000E-04    0.993153E+00
  85    0.405708E-04    0.724081E+02 -0.560307E-06 0.100000E-04    0.997169E+00
  86   -0.113178E-04    0.682557E+02  0.165815E-06 0.100000E-04    0.973981E+00
  87    0.442826E-04    0.660591E+02 -0.670348E-06 0.100000E-04    0.994024E+00
  88    0.858593E-05    0.630063E+02 -0.136271E-06 0.100000E-04    0.984262E+00
  89    0.232344E-04    0.599426E+02 -0.387610E-06 0.100000E-04    0.965491E+00
  90    0.623517E-04    0.596307E+02 -0.104563E-05 0.100000E-04    0.989544E+00
  91   -0.180426E-04    0.590579E+02  0.305507E-06 0.100000E-04    0.961323E+00
  92   -0.622345E-04    0.560499E+02  0.111034E-05 0.100000E-04    0.999589E+00
  93   -0.170875E-04    0.526623E+02  0.324474E-06 0.100000E-04    0.986946E+00
  94   -0.531995E-04    0.523148E+02  0.101691E-05 0.100000E-04    0.997834E+00
  95   -0.181464E-04    0.500343E+02  0.362679E-06 0.100000E-04    0.995358E+00
  96    0.257386E-05    0.473354E+02 -0.543748E-07 0.100000E-04    0.894597E+00
  97    0.435365E-04    0.428712E+02 -0.101552E-05 0.100000E-04    0.987867E+00
  98   -0.498677E-04    0.404962E+02  0.123142E-05 0.100000E-04    0.992651E+00
  99    0.125081E-03    0.375921E+02 -0.332732E-05 0.100000E-04    0.995673E+00
 100    0.905285E-04    0.362820E+02 -0.249513E-05 0.100000E-04    0.997826E+00
 101   -0.257234E-04    0.341149E+02  0.754023E-06 0.100000E-04    0.973639E+00
 102   -0.103791E-03    0.287987E+02  0.360400E-05 0.100000E-04    0.996750E+00
 103    0.328876E-04    0.286003E+02 -0.114990E-05 0.100000E-04    0.997547E+00
 104   -0.105158E-03    0.271614E+02  0.387160E-05 0.100000E-04    0.999994E+00
 105   -0.639080E-04    0.230653E+02  0.277074E-05 0.100000E-04    0.987958E+00
 106    0.293726E-04    0.211195E+02 -0.139078E-05 0.100000E-04    0.931732E+00
 107   -0.946716E-04    0.205765E+02  0.460096E-05 0.100000E-04    0.996859E+00
 108    0.788721E-05    0.167879E+02 -0.469814E-06 0.100000E-04    0.737014E+00
 109    0.704407E-04    0.138090E+02 -0.510107E-05 0.100000E-04    0.983518E+00
 110    0.917062E-02    0.122402E+02 -0.100000E-04 0.100000E-04    0.438111E+00
 111   -0.226535E-02    0.995302E+01  0.100000E-04 0.100000E-04    0.668657E+00
 112   -0.101671E-01    0.869170E+01  0.137309E-04 0.137309E-04    0.143078E+00
 113   -0.257146E-01    0.683506E+01  0.233448E-04 0.233448E-04    0.161827E+00
 114   -0.722857E+00    0.401439E+01 -0.400000E-03 0.400000E-03    0.875956E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1745782066    

 Beginning of optimization cycle  373.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3446195019
 potential> RMS force:                                               0.0679063351   |gradient|=.7250412541    
 Eigenvalues of the Hessian matrix:
   736.18657    673.94654    627.50399    603.72465    587.83519    573.34704 
   567.08059    484.07021    464.01865    461.01692    441.47578    429.35536 
   421.98736    408.27163    397.16830    388.74532    368.26019    361.37223 
   350.51564    335.49460    326.54642    321.44741    320.25226    311.69062 
   303.36429    289.00267    278.57326    270.98766    267.25659    264.50129 
   260.29200    253.93947    242.07340    238.81241    234.53455    228.29987 
   219.26691    214.09802    212.58059    207.19388    203.57345    197.18227 
   195.12127    191.45785    183.85017    174.64124    172.07695    167.60762 
   164.69504    158.53471    154.18341    151.58059    148.27753    143.36552 
   137.24412    135.90783    130.60090    128.25062    126.24921    125.41584 
   119.81514    118.10468    117.07674    110.78868    107.56550    104.63807 
   103.08905     99.73022     95.77222     94.35855     93.43647     90.66541 
    89.49443     85.11401     80.90199     79.90657     78.24234     72.87952 
    72.41258     68.25483     66.04747     63.00014     59.94142     59.62573 
    59.05665     56.04993     52.65983     52.31517     50.03361     47.32981 
    42.87157     40.49888     37.59603     36.28447     34.10251     28.79843 
    28.59896     27.15360     23.06739     21.11356     20.57983     16.78708 
    13.80953     12.24012      9.95447      8.68734      6.82702      4.00900 
overlap for current and previous eigenvector    109 is         0.9999997414
overlap for current and previous eigenvector    110 is         0.9999995938
overlap for current and previous eigenvector    111 is        -0.9999994780
overlap for current and previous eigenvector    112 is         0.9999957584
overlap for current and previous eigenvector    113 is         0.9999960277
overlap for current and previous eigenvector    114 is         0.9999997121
J1,K1,R1,R2,RAT=   7   7   -0.6283332334E-02     2.006109454        0.9937166677    
FOB,PFOB,DIAG,PSTEP=   -0.5606936784E-05   -0.5571923493E-05     736.1865663        0.7569287742E-08
J1,K1,R1,R2,RAT=   8   8   -0.7536677136E-02     2.007513769        0.9924633229    
FOB,PFOB,DIAG,PSTEP=   -0.5702602625E-05   -0.5659944959E-05     673.9465449        0.8398306707E-08
J1,K1,R1,R2,RAT=   9   9   -0.8178540395E-01     2.081744326        0.9182145961    
FOB,PFOB,DIAG,PSTEP=   -0.8817795097E-06   -0.8151137344E-06     627.5039867        0.1299004458E-08
J1,K1,R1,R2,RAT=  10  10    0.1185271611E-02     1.998854092        0.9988147284    
FOB,PFOB,DIAG,PSTEP=    0.2302326025E-05    0.2305058091E-05     603.7246462       -0.3817986790E-08
J1,K1,R1,R2,RAT=  11  11    0.1438144677E-01     1.985651910        0.9856185532    
FOB,PFOB,DIAG,PSTEP=   -0.1638947792E-05   -0.1662861751E-05     587.8351853        0.2828741896E-08
J1,K1,R1,R2,RAT= 109 109   -0.1114668485E-01     2.011072244        0.9888533152    
FOB,PFOB,DIAG,PSTEP=    0.7122593601E-04    0.7044072621E-04     13.80952766       -0.5101068613E-05
J1,K1,R1,R2,RAT= 110 110   -0.5518359548         150.3970742        0.4481640452    
FOB,PFOB,DIAG,PSTEP=    0.9238160376E-02    0.9170615018E-02     12.24011537       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     45.18794518        0.3262668695        0.6737331305    
FOB,PFOB,DIAG,PSTEP=    0.2232870505E-02   -0.2265348634E-02     9.954467106        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7766996750         171.2450060        0.2233003250    
FOB,PFOB,DIAG,PSTEP=   -0.1025976830E-01   -0.1016712001E-01     8.687335636        0.1373085871E-04
J1,K1,R1,R2,RAT= 113 113   -0.7779999678         323.4702967        0.2220000322    
FOB,PFOB,DIAG,PSTEP=   -0.2583861220E-01   -0.2571461809E-01     6.827020001        0.2334480771E-04
J1,K1,R1,R2,RAT= 114 114    0.9908154568        -902.5326677        0.9184543150E-02
FOB,PFOB,DIAG,PSTEP=   -0.7244456280       -0.7228567552         4.009002762       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001     -0.00003     -0.00000     -0.00002 
     0.00003      0.00003     -0.00002      0.00003      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00001     -0.00003      0.00001     -0.00007 
    -0.00003      0.00003      0.00008     -0.00002     -0.00005     -0.00001 
     0.00001      0.00002      0.00002     -0.00001     -0.00002      0.00005 
    -0.00004      0.00001     -0.00004     -0.00001     -0.00002     -0.00006 
    -0.00002      0.00006      0.00002     -0.00005      0.00002      0.00000 
     0.00004     -0.00005     -0.00012     -0.00009     -0.00003     -0.00010 
     0.00003     -0.00011     -0.00006      0.00003      0.00009      0.00001 
     0.00007      0.00924      0.00223     -0.01026     -0.02584     -0.72445 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4184535412
 Log product of positive Hessian eigenvalues =          519.6461366262
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0090027624
 Unscaled step for mode    7=        0.0000000076
 Unscaled step for mode    8=        0.0000000085
 Unscaled step for mode    9=        0.0000000014
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000071
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000007
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000148
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000423
 Unscaled step for mode   20=       -0.0000000157
 Unscaled step for mode   21=       -0.0000000163
 Unscaled step for mode   22=        0.0000000234
 Unscaled step for mode   23=       -0.0000000029
 Unscaled step for mode   24=        0.0000000093
 Unscaled step for mode   25=        0.0000000621
 Unscaled step for mode   26=        0.0000001037
 Unscaled step for mode   27=        0.0000000531
 Unscaled step for mode   28=       -0.0000000445
 Unscaled step for mode   29=       -0.0000000574
 Unscaled step for mode   30=        0.0000000804
 Unscaled step for mode   31=        0.0000000600
 Unscaled step for mode   32=        0.0000000276
 Unscaled step for mode   33=       -0.0000000480
 Unscaled step for mode   34=       -0.0000000495
 Unscaled step for mode   35=       -0.0000000914
 Unscaled step for mode   36=       -0.0000000771
 Unscaled step for mode   37=        0.0000000767
 Unscaled step for mode   38=       -0.0000000050
 Unscaled step for mode   39=        0.0000000852
 Unscaled step for mode   40=        0.0000000764
 Unscaled step for mode   41=        0.0000001834
 Unscaled step for mode   42=        0.0000000658
 Unscaled step for mode   43=        0.0000000791
 Unscaled step for mode   44=        0.0000001432
 Unscaled step for mode   45=       -0.0000000059
 Unscaled step for mode   46=       -0.0000001386
 Unscaled step for mode   47=        0.0000001454
 Unscaled step for mode   48=       -0.0000000302
 Unscaled step for mode   49=       -0.0000001415
 Unscaled step for mode   50=       -0.0000000468
 Unscaled step for mode   51=        0.0000000950
 Unscaled step for mode   52=       -0.0000000275
 Unscaled step for mode   53=        0.0000000820
 Unscaled step for mode   54=        0.0000001215
 Unscaled step for mode   55=       -0.0000001289
 Unscaled step for mode   56=       -0.0000000389
 Unscaled step for mode   57=       -0.0000000806
 Unscaled step for mode   58=        0.0000001693
 Unscaled step for mode   59=        0.0000000235
 Unscaled step for mode   60=        0.0000001667
 Unscaled step for mode   61=       -0.0000002322
 Unscaled step for mode   62=       -0.0000002020
 Unscaled step for mode   63=        0.0000001682
 Unscaled step for mode   64=       -0.0000002497
 Unscaled step for mode   65=       -0.0000001816
 Unscaled step for mode   66=        0.0000001295
 Unscaled step for mode   67=        0.0000000828
 Unscaled step for mode   68=        0.0000000788
 Unscaled step for mode   69=        0.0000000581
 Unscaled step for mode   70=        0.0000002618
 Unscaled step for mode   71=       -0.0000000611
 Unscaled step for mode   72=        0.0000006408
 Unscaled step for mode   73=        0.0000002870
 Unscaled step for mode   74=       -0.0000002702
 Unscaled step for mode   75=       -0.0000008412
 Unscaled step for mode   76=        0.0000001892
 Unscaled step for mode   77=        0.0000005263
 Unscaled step for mode   78=        0.0000000893
 Unscaled step for mode   79=       -0.0000000919
 Unscaled step for mode   80=       -0.0000002600
 Unscaled step for mode   81=       -0.0000003016
 Unscaled step for mode   82=        0.0000001069
 Unscaled step for mode   83=        0.0000002033
 Unscaled step for mode   84=       -0.0000006540
 Unscaled step for mode   85=        0.0000005559
 Unscaled step for mode   86=       -0.0000001672
 Unscaled step for mode   87=        0.0000006684
 Unscaled step for mode   88=        0.0000001405
 Unscaled step for mode   89=        0.0000003749
 Unscaled step for mode   90=        0.0000010463
 Unscaled step for mode   91=        0.0000003109
 Unscaled step for mode   92=       -0.0000011098
 Unscaled step for mode   93=       -0.0000003163
 Unscaled step for mode   94=        0.0000010197
 Unscaled step for mode   95=       -0.0000003596
 Unscaled step for mode   96=       -0.0000000539
 Unscaled step for mode   97=       -0.0000010077
 Unscaled step for mode   98=        0.0000012311
 Unscaled step for mode   99=        0.0000033164
 Unscaled step for mode  100=        0.0000024814
 Unscaled step for mode  101=        0.0000007458
 Unscaled step for mode  102=        0.0000036021
 Unscaled step for mode  103=       -0.0000011655
 Unscaled step for mode  104=        0.0000039050
 Unscaled step for mode  105=        0.0000027583
 Unscaled step for mode  106=       -0.0000013785
 Unscaled step for mode  107=       -0.0000045419
 Unscaled step for mode  108=       -0.0000004198
 Unscaled step for mode  109=       -0.0000051577
 Unscaled step for mode  110=       -0.0007547441
 Unscaled step for mode  111=       -0.0002243084
 Unscaled step for mode  112=        0.0011810012
 Unscaled step for mode  113=        0.0037847029
 Unscaled step for mode  114=       -0.1751604620
 Largest modulus ratio of non-zero e/values=           183.6333398    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.853484E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.148492E-14    0.100700E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.500630E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.197051E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.456666E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.211853E-15    0.973969E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.560694E-05    0.736187E+03  0.761619E-08 0.100000E-04    0.993717E+00
   8   -0.570260E-05    0.673947E+03  0.846151E-08 0.100000E-04    0.992463E+00
   9   -0.881780E-06    0.627504E+03  0.140522E-08 0.100000E-04    0.918215E+00
  10    0.230233E-05    0.603725E+03 -0.381354E-08 0.100000E-04    0.998815E+00
  11   -0.163895E-05    0.587835E+03  0.278811E-08 0.100000E-04    0.985619E+00
  12   -0.409943E-05    0.573347E+03  0.715000E-08 0.100000E-04    0.969114E+00
  13   -0.360365E-05    0.567081E+03  0.635474E-08 0.100000E-04    0.995444E+00
  14    0.340118E-06    0.484070E+03 -0.702621E-09 0.100000E-04    0.696888E+00
  15    0.188436E-05    0.464019E+03 -0.406095E-08 0.100000E-04    0.986112E+00
  16    0.682101E-05    0.461017E+03 -0.147956E-07 0.100000E-04    0.999727E+00
  17    0.458375E-05    0.441476E+03 -0.103828E-07 0.100000E-04    0.989795E+00
  18    0.488191E-05    0.429355E+03 -0.113703E-07 0.100000E-04    0.988643E+00
  19   -0.178362E-04    0.421987E+03  0.422672E-07 0.100000E-04    0.999246E+00
  20    0.641653E-05    0.408272E+03 -0.157163E-07 0.100000E-04    0.987666E+00
  21    0.647623E-05    0.397168E+03 -0.163060E-07 0.100000E-04    0.991015E+00
  22   -0.911551E-05    0.388745E+03  0.234485E-07 0.100000E-04    0.990801E+00
  23    0.108571E-05    0.368260E+03 -0.294823E-08 0.100000E-04    0.919889E+00
  24   -0.337793E-05    0.361372E+03  0.934751E-08 0.100000E-04    0.974197E+00
  25   -0.217684E-04    0.350516E+03  0.621039E-07 0.100000E-04    0.999857E+00
  26   -0.348033E-04    0.335495E+03  0.103737E-06 0.100000E-04    0.999137E+00
  27   -0.173543E-04    0.326546E+03  0.531449E-07 0.100000E-04    0.999248E+00
  28    0.143113E-04    0.321447E+03 -0.445216E-07 0.100000E-04    0.996155E+00
  29    0.183904E-04    0.320252E+03 -0.574246E-07 0.100000E-04    0.987635E+00
  30   -0.250481E-04    0.311691E+03  0.803622E-07 0.100000E-04    0.998252E+00
  31   -0.181934E-04    0.303364E+03  0.599721E-07 0.100000E-04    0.993651E+00
  32   -0.797232E-05    0.289003E+03  0.275856E-07 0.100000E-04    0.987635E+00
  33    0.133603E-04    0.278573E+03 -0.479598E-07 0.100000E-04    0.997268E+00
  34    0.134049E-04    0.270988E+03 -0.494669E-07 0.100000E-04    0.993897E+00
  35    0.244306E-04    0.267257E+03 -0.914126E-07 0.100000E-04    0.997787E+00
  36    0.203976E-04    0.264501E+03 -0.771174E-07 0.100000E-04    0.993166E+00
  37   -0.199597E-04    0.260292E+03  0.766821E-07 0.100000E-04    0.999187E+00
  38    0.127298E-05    0.253939E+03 -0.501293E-08 0.100000E-04    0.936526E+00
  39   -0.206356E-04    0.242073E+03  0.852452E-07 0.100000E-04    0.999439E+00
  40   -0.182442E-04    0.238812E+03  0.763955E-07 0.100000E-04    0.986430E+00
  41   -0.430065E-04    0.234535E+03  0.183370E-06 0.100000E-04    0.996079E+00
  42   -0.150156E-04    0.228300E+03  0.657715E-07 0.100000E-04    0.988438E+00
  43   -0.173471E-04    0.219267E+03  0.791143E-07 0.100000E-04    0.993918E+00
  44   -0.306595E-04    0.214098E+03  0.143203E-06 0.100000E-04    0.991597E+00
  45    0.126061E-05    0.212581E+03 -0.593005E-08 0.100000E-04    0.993584E+00
  46    0.287094E-04    0.207194E+03 -0.138563E-06 0.100000E-04    0.994911E+00
  47   -0.296004E-04    0.203573E+03  0.145404E-06 0.100000E-04    0.998663E+00
  48    0.595043E-05    0.197182E+03 -0.301773E-07 0.100000E-04    0.997131E+00
  49    0.276077E-04    0.195121E+03 -0.141490E-06 0.100000E-04    0.996167E+00
  50    0.896110E-05    0.191458E+03 -0.468046E-07 0.100000E-04    0.985536E+00
  51   -0.174697E-04    0.183850E+03  0.950213E-07 0.100000E-04    0.999165E+00
  52    0.480929E-05    0.174641E+03 -0.275381E-07 0.100000E-04    0.993241E+00
  53   -0.141080E-04    0.172077E+03  0.819865E-07 0.100000E-04    0.998670E+00
  54   -0.203566E-04    0.167608E+03  0.121454E-06 0.100000E-04    0.997455E+00
  55    0.212255E-04    0.164695E+03 -0.128877E-06 0.100000E-04    0.997514E+00
  56    0.616306E-05    0.158535E+03 -0.388751E-07 0.100000E-04    0.983328E+00
  57    0.124229E-04    0.154183E+03 -0.805724E-07 0.100000E-04    0.998587E+00
  58   -0.256695E-04    0.151581E+03  0.169346E-06 0.100000E-04    0.998145E+00
  59   -0.348054E-05    0.148278E+03  0.234731E-07 0.100000E-04    0.971069E+00
  60   -0.238982E-04    0.143366E+03  0.166694E-06 0.100000E-04    0.999342E+00
  61    0.318656E-04    0.137244E+03 -0.232182E-06 0.100000E-04    0.999535E+00
  62    0.274576E-04    0.135908E+03 -0.202031E-06 0.100000E-04    0.997774E+00
  63   -0.219642E-04    0.130601E+03  0.168178E-06 0.100000E-04    0.993921E+00
  64    0.320257E-04    0.128251E+03 -0.249712E-06 0.100000E-04    0.995701E+00
  65    0.229213E-04    0.126249E+03 -0.181556E-06 0.100000E-04    0.997528E+00
  66   -0.162464E-04    0.125416E+03  0.129540E-06 0.100000E-04    0.994430E+00
  67   -0.992013E-05    0.119815E+03  0.827953E-07 0.100000E-04    0.980645E+00
  68   -0.930875E-05    0.118105E+03  0.788178E-07 0.100000E-04    0.994620E+00
  69   -0.680592E-05    0.117077E+03  0.581321E-07 0.100000E-04    0.998492E+00
  70   -0.290053E-04    0.110789E+03  0.261807E-06 0.100000E-04    0.994921E+00
  71    0.657663E-05    0.107566E+03 -0.611407E-07 0.100000E-04    0.990446E+00
  72   -0.670526E-04    0.104638E+03  0.640805E-06 0.100000E-04    0.996361E+00
  73   -0.295873E-04    0.103089E+03  0.287008E-06 0.100000E-04    0.999186E+00
  74    0.269442E-04    0.997302E+02 -0.270171E-06 0.100000E-04    0.996145E+00
  75    0.805663E-04    0.957722E+02 -0.841229E-06 0.100000E-04    0.999280E+00
  76   -0.178530E-04    0.943585E+02  0.189204E-06 0.100000E-04    0.971120E+00
  77   -0.491791E-04    0.934365E+02  0.526337E-06 0.100000E-04    0.991794E+00
  78   -0.809498E-05    0.906654E+02  0.892841E-07 0.100000E-04    0.997331E+00
  79    0.822607E-05    0.894944E+02 -0.919171E-07 0.100000E-04    0.997232E+00
  80    0.221317E-04    0.851140E+02 -0.260024E-06 0.100000E-04    0.997747E+00
  81    0.243970E-04    0.809020E+02 -0.301562E-06 0.100000E-04    0.995746E+00
  82   -0.854350E-05    0.799066E+02  0.106919E-06 0.100000E-04    0.973539E+00
  83   -0.159052E-04    0.782423E+02  0.203281E-06 0.100000E-04    0.994495E+00
  84    0.476656E-04    0.728795E+02 -0.654032E-06 0.100000E-04    0.997745E+00
  85   -0.402555E-04    0.724126E+02  0.555918E-06 0.100000E-04    0.992105E+00
  86    0.114108E-04    0.682548E+02 -0.167180E-06 0.100000E-04    0.991779E+00
  87   -0.441484E-04    0.660475E+02  0.668435E-06 0.100000E-04    0.996970E+00
  88   -0.885043E-05    0.630001E+02  0.140483E-06 0.100000E-04    0.969191E+00
  89   -0.224722E-04    0.599414E+02  0.374903E-06 0.100000E-04    0.967196E+00
  90   -0.623855E-04    0.596257E+02  0.104628E-05 0.100000E-04    0.999459E+00
  91   -0.183579E-04    0.590566E+02  0.310852E-06 0.100000E-04    0.982524E+00
  92    0.622022E-04    0.560499E+02 -0.110976E-05 0.100000E-04    0.999479E+00
  93    0.166565E-04    0.526598E+02 -0.316304E-06 0.100000E-04    0.974775E+00
  94   -0.533474E-04    0.523152E+02  0.101973E-05 0.100000E-04    0.997220E+00
  95    0.179909E-04    0.500336E+02 -0.359575E-06 0.100000E-04    0.991428E+00
  96    0.255312E-05    0.473298E+02 -0.539431E-07 0.100000E-04    0.991941E+00
  97    0.432011E-04    0.428716E+02 -0.100769E-05 0.100000E-04    0.992277E+00
  98   -0.498563E-04    0.404989E+02  0.123105E-05 0.100000E-04    0.999640E+00
  99   -0.124683E-03    0.375960E+02  0.331640E-05 0.100000E-04    0.996613E+00
 100   -0.900358E-04    0.362845E+02  0.248139E-05 0.100000E-04    0.994423E+00
 101   -0.254347E-04    0.341025E+02  0.745830E-06 0.100000E-04    0.988771E+00
 102   -0.103734E-03    0.287984E+02  0.360208E-05 0.100000E-04    0.999454E+00
 103    0.333323E-04    0.285990E+02 -0.116551E-05 0.100000E-04    0.986476E+00
 104   -0.106035E-03    0.271536E+02  0.390502E-05 0.100000E-04    0.991657E+00
 105   -0.636277E-04    0.230674E+02  0.275834E-05 0.100000E-04    0.995435E+00
 106    0.291043E-04    0.211136E+02 -0.137846E-05 0.100000E-04    0.990862E+00
 107    0.934726E-04    0.205798E+02 -0.454195E-05 0.100000E-04    0.987015E+00
 108    0.704645E-05    0.167871E+02 -0.419755E-06 0.100000E-04    0.893398E+00
 109    0.712259E-04    0.138095E+02 -0.515774E-05 0.100000E-04    0.988853E+00
 110    0.923816E-02    0.122401E+02 -0.100000E-04 0.100000E-04    0.448164E+00
 111    0.223287E-02    0.995447E+01 -0.100000E-04 0.100000E-04    0.673733E+00
 112   -0.102598E-01    0.868734E+01  0.123701E-04 0.123701E-04    0.223300E+00
 113   -0.258386E-01    0.682702E+01  0.210314E-04 0.210314E-04    0.222000E+00
 114   -0.724446E+00    0.400900E+01 -0.400000E-03 0.400000E-03    0.918454E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1751604620    

 Beginning of optimization cycle  374.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3443301865
 potential> RMS force:                                               0.0680554948   |gradient|=.7266338430    
 Eigenvalues of the Hessian matrix:
   736.25048    673.95440    627.51664    603.71285    587.82546    573.38972 
   567.08243    484.09674    463.99542    461.01076    441.47818    429.34841 
   421.99019    408.27769    397.16327    388.74253    368.26920    361.36398 
   350.50819    335.48241    326.56181    321.44922    320.24760    311.67077 
   303.34937    289.01275    278.56884    270.99501    267.26472    264.50644 
   260.30995    253.93908    242.06893    238.82559    234.52292    228.29412 
   219.24604    214.10544    212.58732    207.19181    203.57301    197.17384 
   195.11758    191.45608    183.84045    174.63187    172.08171    167.60971 
   164.68651    158.52342    154.18849    151.58649    148.26816    143.36764 
   137.24778    135.90918    130.59942    128.25520    126.25306    125.41111 
   119.81677    118.10542    117.07781    110.78345    107.55893    104.63536 
   103.08860     99.72927     95.77121     94.34489     93.44747     90.66936 
    89.48869     85.11695     80.90160     79.90874     78.24116     72.88224 
    72.41713     68.25398     66.03599     62.99390     59.94032     59.62068 
    59.05531     56.04999     52.65743     52.31559     50.03284     47.32419 
    42.87191     40.50155     37.59993     36.28690     34.09017     28.79809 
    28.59764     27.14574     23.06946     21.10773     20.58301     16.78622 
    13.81003     12.24001      9.95592      8.68282      6.81893      4.00361 
overlap for current and previous eigenvector    109 is         0.9999997386
overlap for current and previous eigenvector    110 is         0.9999995940
overlap for current and previous eigenvector    111 is        -0.9999994870
overlap for current and previous eigenvector    112 is        -0.9999956785
overlap for current and previous eigenvector    113 is         0.9999959485
overlap for current and previous eigenvector    114 is         0.9999997244
J1,K1,R1,R2,RAT=   7   7   -0.5543634995E-02     2.005370008        0.9944563650    
FOB,PFOB,DIAG,PSTEP=   -0.5638022294E-05   -0.5606936784E-05     736.2504827        0.7616190026E-08
J1,K1,R1,R2,RAT=   8   8    0.1233134426E-02     1.998743561        0.9987435607    
FOB,PFOB,DIAG,PSTEP=   -0.5695570468E-05   -0.5702602625E-05     673.9543981        0.8461505840E-08
J1,K1,R1,R2,RAT=   9   9    0.5194922314E-01     1.948010457        0.9480104575    
FOB,PFOB,DIAG,PSTEP=   -0.8359708257E-06   -0.8817795097E-06     627.5166372        0.1405217383E-08
J1,K1,R1,R2,RAT=  10  10   -0.1022211606E-01     2.010261188        0.9897778839    
FOB,PFOB,DIAG,PSTEP=    0.2325860209E-05    0.2302326025E-05     603.7128522       -0.3813536584E-08
J1,K1,R1,R2,RAT=  11  11   -0.2812622269E-01     2.028159314        0.9718737773    
FOB,PFOB,DIAG,PSTEP=   -0.1685044440E-05   -0.1638947792E-05     587.8254594        0.2788107675E-08
J1,K1,R1,R2,RAT= 109 109    0.1625594379E-01     1.983670649        0.9836706488    
FOB,PFOB,DIAG,PSTEP=    0.7006804870E-04    0.7122593601E-04     13.81003454       -0.5157738754E-05
J1,K1,R1,R2,RAT= 110 110   -0.5654339009         151.5155904        0.4345660991    
FOB,PFOB,DIAG,PSTEP=    0.9307369566E-02    0.9238160376E-02     12.24001430       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     44.51902273        0.3360902638        0.6639097362    
FOB,PFOB,DIAG,PSTEP=   -0.2199409614E-02    0.2232870505E-02     9.955924114       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     191.9287890       -0.8854363820        0.1145636180    
FOB,PFOB,DIAG,PSTEP=    0.1035487103E-01   -0.1025976830E-01     8.682822005        0.1237014298E-04
J1,K1,R1,R2,RAT= 113 113   -0.8661616064         361.2088481        0.1338383936    
FOB,PFOB,DIAG,PSTEP=   -0.2596282959E-01   -0.2583861220E-01     6.818928636        0.2103135829E-04
J1,K1,R1,R2,RAT= 114 114    0.9911880928        -905.7320308        0.8811907167E-02
FOB,PFOB,DIAG,PSTEP=   -0.7260329596       -0.7244456280         4.003608513       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00001 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000     -0.00001     -0.00002 
     0.00002      0.00001      0.00001     -0.00003     -0.00000     -0.00002 
    -0.00003      0.00003     -0.00002      0.00003      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00001     -0.00003      0.00001     -0.00007 
    -0.00003      0.00003      0.00008     -0.00002      0.00005      0.00001 
     0.00001      0.00002     -0.00002      0.00001     -0.00002      0.00005 
    -0.00004      0.00001      0.00004      0.00001      0.00002     -0.00006 
     0.00002      0.00006     -0.00002      0.00005      0.00002      0.00000 
    -0.00004      0.00005     -0.00013     -0.00009      0.00003     -0.00010 
    -0.00003     -0.00011     -0.00006      0.00003     -0.00009      0.00001 
     0.00007      0.00931     -0.00220      0.01035     -0.02596     -0.72603 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4182626525
 Log product of positive Hessian eigenvalues =          519.6420083360
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           4.0036085128
 Unscaled step for mode    7=        0.0000000077
 Unscaled step for mode    8=        0.0000000085
 Unscaled step for mode    9=        0.0000000013
 Unscaled step for mode   10=       -0.0000000039
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000071
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000007
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000149
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000115
 Unscaled step for mode   19=        0.0000000424
 Unscaled step for mode   20=       -0.0000000158
 Unscaled step for mode   21=       -0.0000000164
 Unscaled step for mode   22=        0.0000000234
 Unscaled step for mode   23=       -0.0000000027
 Unscaled step for mode   24=        0.0000000093
 Unscaled step for mode   25=        0.0000000624
 Unscaled step for mode   26=        0.0000001039
 Unscaled step for mode   27=        0.0000000533
 Unscaled step for mode   28=       -0.0000000445
 Unscaled step for mode   29=       -0.0000000581
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000601
 Unscaled step for mode   32=        0.0000000275
 Unscaled step for mode   33=       -0.0000000481
 Unscaled step for mode   34=       -0.0000000497
 Unscaled step for mode   35=       -0.0000000912
 Unscaled step for mode   36=       -0.0000000769
 Unscaled step for mode   37=        0.0000000769
 Unscaled step for mode   38=       -0.0000000051
 Unscaled step for mode   39=        0.0000000855
 Unscaled step for mode   40=        0.0000000767
 Unscaled step for mode   41=        0.0000001834
 Unscaled step for mode   42=        0.0000000656
 Unscaled step for mode   43=        0.0000000793
 Unscaled step for mode   44=        0.0000001432
 Unscaled step for mode   45=       -0.0000000062
 Unscaled step for mode   46=       -0.0000001388
 Unscaled step for mode   47=        0.0000001449
 Unscaled step for mode   48=       -0.0000000306
 Unscaled step for mode   49=       -0.0000001416
 Unscaled step for mode   50=       -0.0000000476
 Unscaled step for mode   51=        0.0000000953
 Unscaled step for mode   52=       -0.0000000278
 Unscaled step for mode   53=        0.0000000825
 Unscaled step for mode   54=        0.0000001220
 Unscaled step for mode   55=       -0.0000001288
 Unscaled step for mode   56=       -0.0000000381
 Unscaled step for mode   57=       -0.0000000816
 Unscaled step for mode   58=        0.0000001695
 Unscaled step for mode   59=        0.0000000234
 Unscaled step for mode   60=        0.0000001674
 Unscaled step for mode   61=        0.0000002341
 Unscaled step for mode   62=       -0.0000002015
 Unscaled step for mode   63=        0.0000001689
 Unscaled step for mode   64=       -0.0000002510
 Unscaled step for mode   65=       -0.0000001835
 Unscaled step for mode   66=        0.0000001286
 Unscaled step for mode   67=        0.0000000821
 Unscaled step for mode   68=        0.0000000793
 Unscaled step for mode   69=        0.0000000588
 Unscaled step for mode   70=        0.0000002614
 Unscaled step for mode   71=       -0.0000000608
 Unscaled step for mode   72=        0.0000006429
 Unscaled step for mode   73=        0.0000002880
 Unscaled step for mode   74=       -0.0000002703
 Unscaled step for mode   75=       -0.0000008433
 Unscaled step for mode   76=        0.0000001943
 Unscaled step for mode   77=       -0.0000005246
 Unscaled step for mode   78=       -0.0000000924
 Unscaled step for mode   79=       -0.0000000915
 Unscaled step for mode   80=       -0.0000002607
 Unscaled step for mode   81=        0.0000003016
 Unscaled step for mode   82=       -0.0000001076
 Unscaled step for mode   83=        0.0000002045
 Unscaled step for mode   84=       -0.0000006584
 Unscaled step for mode   85=        0.0000005573
 Unscaled step for mode   86=       -0.0000001714
 Unscaled step for mode   87=       -0.0000006725
 Unscaled step for mode   88=       -0.0000001383
 Unscaled step for mode   89=       -0.0000003617
 Unscaled step for mode   90=        0.0000010562
 Unscaled step for mode   91=       -0.0000003227
 Unscaled step for mode   92=       -0.0000011102
 Unscaled step for mode   93=        0.0000003119
 Unscaled step for mode   94=       -0.0000010219
 Unscaled step for mode   95=       -0.0000003579
 Unscaled step for mode   96=       -0.0000000475
 Unscaled step for mode   97=        0.0000010197
 Unscaled step for mode   98=       -0.0000012399
 Unscaled step for mode   99=        0.0000033300
 Unscaled step for mode  100=        0.0000024866
 Unscaled step for mode  101=       -0.0000007655
 Unscaled step for mode  102=        0.0000036137
 Unscaled step for mode  103=        0.0000011684
 Unscaled step for mode  104=        0.0000039065
 Unscaled step for mode  105=        0.0000027910
 Unscaled step for mode  106=       -0.0000014702
 Unscaled step for mode  107=        0.0000045524
 Unscaled step for mode  108=       -0.0000005166
 Unscaled step for mode  109=       -0.0000050737
 Unscaled step for mode  110=       -0.0007604047
 Unscaled step for mode  111=        0.0002209147
 Unscaled step for mode  112=       -0.0011925681
 Unscaled step for mode  113=        0.0038074094
 Unscaled step for mode  114=       -0.1757436630
 Largest modulus ratio of non-zero e/values=           183.8967222    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.229417E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.178579E-14    0.100700E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.207735E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.133791E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.786914E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.455026E-15    0.973971E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.563802E-05    0.736250E+03  0.765775E-08 0.100000E-04    0.994456E+00
   8   -0.569557E-05    0.673954E+03  0.845097E-08 0.100000E-04    0.998744E+00
   9   -0.835971E-06    0.627517E+03  0.133219E-08 0.100000E-04    0.948010E+00
  10    0.232586E-05    0.603713E+03 -0.385259E-08 0.100000E-04    0.989778E+00
  11   -0.168504E-05    0.587825E+03  0.286657E-08 0.100000E-04    0.971874E+00
  12   -0.404315E-05    0.573390E+03  0.705132E-08 0.100000E-04    0.986124E+00
  13   -0.362643E-05    0.567082E+03  0.639489E-08 0.100000E-04    0.993678E+00
  14    0.342833E-06    0.484097E+03 -0.708192E-09 0.100000E-04    0.992017E+00
  15    0.192595E-05    0.463995E+03 -0.415079E-08 0.100000E-04    0.977928E+00
  16    0.686014E-05    0.461011E+03 -0.148807E-07 0.100000E-04    0.994263E+00
  17    0.464826E-05    0.441478E+03 -0.105289E-07 0.100000E-04    0.985925E+00
  18    0.495016E-05    0.429348E+03 -0.115295E-07 0.100000E-04    0.986018E+00
  19   -0.179062E-04    0.421990E+03  0.424327E-07 0.100000E-04    0.996077E+00
  20    0.645745E-05    0.408278E+03 -0.158163E-07 0.100000E-04    0.993624E+00
  21    0.651095E-05    0.397163E+03 -0.163936E-07 0.100000E-04    0.994639E+00
  22   -0.910296E-05    0.388743E+03  0.234164E-07 0.100000E-04    0.998624E+00
  23    0.100736E-05    0.368269E+03 -0.273540E-08 0.100000E-04    0.927788E+00
  24   -0.336039E-05    0.361364E+03  0.929917E-08 0.100000E-04    0.994805E+00
  25   -0.218615E-04    0.350508E+03  0.623709E-07 0.100000E-04    0.995722E+00
  26   -0.348647E-04    0.335482E+03  0.103924E-06 0.100000E-04    0.998238E+00
  27   -0.174072E-04    0.326562E+03  0.533043E-07 0.100000E-04    0.996953E+00
  28    0.143147E-04    0.321449E+03 -0.445319E-07 0.100000E-04    0.999763E+00
  29    0.186103E-04    0.320248E+03 -0.581122E-07 0.100000E-04    0.988042E+00
  30   -0.249636E-04    0.311671E+03  0.800960E-07 0.100000E-04    0.996624E+00
  31   -0.182409E-04    0.303349E+03  0.601316E-07 0.100000E-04    0.997389E+00
  32   -0.793661E-05    0.289013E+03  0.274611E-07 0.100000E-04    0.995452E+00
  33    0.133982E-04    0.278569E+03 -0.480967E-07 0.100000E-04    0.997162E+00
  34    0.134748E-04    0.270995E+03 -0.497233E-07 0.100000E-04    0.994790E+00
  35    0.243807E-04    0.267265E+03 -0.912229E-07 0.100000E-04    0.997894E+00
  36    0.203515E-04    0.264506E+03 -0.769415E-07 0.100000E-04    0.997700E+00
  37   -0.200294E-04    0.260310E+03  0.769445E-07 0.100000E-04    0.996509E+00
  38    0.130668E-05    0.253939E+03 -0.514565E-08 0.100000E-04    0.973526E+00
  39   -0.206953E-04    0.242069E+03  0.854932E-07 0.100000E-04    0.997110E+00
  40   -0.183180E-04    0.238826E+03  0.767005E-07 0.100000E-04    0.995953E+00
  41   -0.430167E-04    0.234523E+03  0.183422E-06 0.100000E-04    0.999764E+00
  42   -0.149654E-04    0.228294E+03  0.655530E-07 0.100000E-04    0.996652E+00
  43   -0.173754E-04    0.219246E+03  0.792509E-07 0.100000E-04    0.998368E+00
  44   -0.306506E-04    0.214105E+03  0.143156E-06 0.100000E-04    0.999639E+00
  45    0.131763E-05    0.212587E+03 -0.619808E-08 0.100000E-04    0.954770E+00
  46    0.287650E-04    0.207192E+03 -0.138833E-06 0.100000E-04    0.998062E+00
  47   -0.294920E-04    0.203573E+03  0.144872E-06 0.100000E-04    0.996340E+00
  48    0.603563E-05    0.197174E+03 -0.306107E-07 0.100000E-04    0.985680E+00
  49    0.276238E-04    0.195118E+03 -0.141575E-06 0.100000E-04    0.999416E+00
  50    0.911487E-05    0.191456E+03 -0.476082E-07 0.100000E-04    0.982839E+00
  51   -0.175211E-04    0.183840E+03  0.953058E-07 0.100000E-04    0.997059E+00
  52    0.486149E-05    0.174632E+03 -0.278385E-07 0.100000E-04    0.989146E+00
  53   -0.142028E-04    0.172082E+03  0.825353E-07 0.100000E-04    0.993278E+00
  54   -0.204507E-04    0.167610E+03  0.122014E-06 0.100000E-04    0.995377E+00
  55    0.212117E-04    0.164687E+03 -0.128800E-06 0.100000E-04    0.999350E+00
  56    0.604193E-05    0.158523E+03 -0.381138E-07 0.100000E-04    0.980346E+00
  57    0.125796E-04    0.154188E+03 -0.815859E-07 0.100000E-04    0.987388E+00
  58   -0.256907E-04    0.151586E+03  0.169479E-06 0.100000E-04    0.999175E+00
  59   -0.347569E-05    0.148268E+03  0.234419E-07 0.100000E-04    0.998607E+00
  60   -0.240024E-04    0.143368E+03  0.167419E-06 0.100000E-04    0.995639E+00
  61   -0.321237E-04    0.137248E+03  0.234056E-06 0.100000E-04    0.991901E+00
  62    0.273857E-04    0.135909E+03 -0.201500E-06 0.100000E-04    0.997361E+00
  63   -0.220638E-04    0.130599E+03  0.168942E-06 0.100000E-04    0.995466E+00
  64    0.321895E-04    0.128255E+03 -0.250980E-06 0.100000E-04    0.994887E+00
  65    0.231624E-04    0.126253E+03 -0.183460E-06 0.100000E-04    0.989481E+00
  66   -0.161301E-04    0.125411E+03  0.128617E-06 0.100000E-04    0.992839E+00
  67   -0.983363E-05    0.119817E+03  0.820722E-07 0.100000E-04    0.991253E+00
  68   -0.937127E-05    0.118105E+03  0.793466E-07 0.100000E-04    0.993284E+00
  69   -0.688214E-05    0.117078E+03  0.587826E-07 0.100000E-04    0.988802E+00
  70   -0.289622E-04    0.110783E+03  0.261431E-06 0.100000E-04    0.998515E+00
  71    0.653610E-05    0.107559E+03 -0.607677E-07 0.100000E-04    0.993837E+00
  72   -0.672650E-04    0.104635E+03  0.642851E-06 0.100000E-04    0.996833E+00
  73   -0.296905E-04    0.103089E+03  0.288010E-06 0.100000E-04    0.996513E+00
  74    0.269570E-04    0.997293E+02 -0.270302E-06 0.100000E-04    0.999526E+00
  75    0.807650E-04    0.957712E+02 -0.843312E-06 0.100000E-04    0.997534E+00
  76   -0.183343E-04    0.943449E+02  0.194333E-06 0.100000E-04    0.973034E+00
  77    0.490187E-04    0.934475E+02 -0.524559E-06 0.100000E-04    0.996504E+00
  78    0.837883E-05    0.906694E+02 -0.924108E-07 0.100000E-04    0.964937E+00
  79    0.818760E-05    0.894887E+02 -0.914931E-07 0.100000E-04    0.995323E+00
  80    0.221884E-04    0.851169E+02 -0.260681E-06 0.100000E-04    0.997438E+00
  81   -0.243987E-04    0.809016E+02  0.301585E-06 0.100000E-04    0.999928E+00
  82    0.859808E-05    0.799087E+02 -0.107599E-06 0.100000E-04    0.993612E+00
  83   -0.160013E-04    0.782412E+02  0.204512E-06 0.100000E-04    0.993957E+00
  84    0.479893E-04    0.728822E+02 -0.658449E-06 0.100000E-04    0.993209E+00
  85   -0.403597E-04    0.724171E+02  0.557322E-06 0.100000E-04    0.997412E+00
  86    0.116961E-04    0.682540E+02 -0.171361E-06 0.100000E-04    0.975004E+00
  87    0.444102E-04    0.660360E+02 -0.672515E-06 0.100000E-04    0.994069E+00
  88    0.871404E-05    0.629939E+02 -0.138332E-06 0.100000E-04    0.984588E+00
  89    0.216777E-04    0.599403E+02 -0.361655E-06 0.100000E-04    0.964644E+00
  90   -0.629725E-04    0.596207E+02  0.105622E-05 0.100000E-04    0.990589E+00
  91    0.190547E-04    0.590553E+02 -0.322658E-06 0.100000E-04    0.962045E+00
  92    0.622245E-04    0.560500E+02 -0.111016E-05 0.100000E-04    0.999642E+00
  93   -0.164216E-04    0.526574E+02  0.311857E-06 0.100000E-04    0.985897E+00
  94    0.534596E-04    0.523156E+02 -0.102187E-05 0.100000E-04    0.997897E+00
  95    0.179064E-04    0.500328E+02 -0.357893E-06 0.100000E-04    0.995306E+00
  96    0.224677E-05    0.473242E+02 -0.474762E-07 0.100000E-04    0.879998E+00
  97   -0.437171E-04    0.428719E+02  0.101971E-05 0.100000E-04    0.988056E+00
  98    0.502168E-04    0.405016E+02 -0.123987E-05 0.100000E-04    0.992771E+00
  99   -0.125209E-03    0.375999E+02  0.333003E-05 0.100000E-04    0.995786E+00
 100   -0.902300E-04    0.362869E+02  0.248657E-05 0.100000E-04    0.997843E+00
 101    0.260950E-04    0.340902E+02 -0.765470E-06 0.100000E-04    0.974028E+00
 102   -0.104068E-03    0.287981E+02  0.361371E-05 0.100000E-04    0.996780E+00
 103   -0.334135E-04    0.285976E+02  0.116840E-05 0.100000E-04    0.997563E+00
 104   -0.106046E-03    0.271457E+02  0.390654E-05 0.100000E-04    0.999899E+00
 105   -0.643871E-04    0.230695E+02  0.279101E-05 0.100000E-04    0.988066E+00
 106    0.310330E-04    0.211077E+02 -0.147022E-05 0.100000E-04    0.933712E+00
 107   -0.937029E-04    0.205830E+02  0.455244E-05 0.100000E-04    0.997536E+00
 108    0.867219E-05    0.167862E+02 -0.516626E-06 0.100000E-04    0.769271E+00
 109    0.700680E-04    0.138100E+02 -0.507371E-05 0.100000E-04    0.983671E+00
 110    0.930737E-02    0.122400E+02 -0.100000E-04 0.100000E-04    0.434566E+00
 111   -0.219941E-02    0.995592E+01  0.100000E-04 0.100000E-04    0.663910E+00
 112    0.103549E-01    0.868282E+01 -0.134835E-04 0.134835E-04    0.114564E+00
 113   -0.259628E-01    0.681893E+01  0.229242E-04 0.229242E-04    0.133838E+00
 114   -0.726033E+00    0.400361E+01 -0.400000E-03 0.400000E-03    0.881191E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1757436630    

 Beginning of optimization cycle  375.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3440403010
 potential> RMS force:                                               0.0682043936   |gradient|=.7282236480    
 Eigenvalues of the Hessian matrix:
   736.31450    673.96211    627.52949    603.70083    587.81570    573.43244 
   567.08386    484.12322    463.97210    461.00459    441.48056    429.34160 
   421.99292    408.28355    397.15816    388.73956    368.27830    361.35575 
   350.50067    335.47040    326.57734    321.45108    320.24276    311.65095 
   303.33437    289.02281    278.56454    271.00247    267.27283    264.51155 
   260.32807    253.93858    242.06444    238.83884    234.51141    228.28836 
   219.22519    214.11291    212.59406    207.18984    203.57251    197.16534 
   195.11391    191.45437    183.83079    174.62255    172.08649    167.61183 
   164.67795    158.51212    154.19358    151.59238    148.25871    143.36973 
   137.25147    135.91051    130.59792    128.25980    126.25693    125.40625 
   119.81841    118.10616    117.07885    110.77826    107.55238    104.63266 
   103.08815     99.72833     95.77025     94.33114     93.45842     90.67333 
    89.48291     85.11993     80.90123     79.91095     78.23999     72.88497 
    72.42163     68.25312     66.02451     62.98759     59.93936     59.61557 
    59.05394     56.05004     52.65506     52.31596     50.03211     47.31851 
    42.87233     40.50423     37.60383     36.28931     34.07780     28.79778 
    28.59634     27.13792     23.07153     21.10195     20.58614     16.78534 
    13.81055     12.23992      9.95737      8.67850      6.81083      3.99820 
overlap for current and previous eigenvector    109 is         0.9999997433
overlap for current and previous eigenvector    110 is         0.9999995969
overlap for current and previous eigenvector    111 is        -0.9999995007
overlap for current and previous eigenvector    112 is        -0.9999958642
overlap for current and previous eigenvector    113 is        -0.9999961114
overlap for current and previous eigenvector    114 is        -0.9999997154
J1,K1,R1,R2,RAT=   7   7   -0.6233774124E-02     2.006059893        0.9937662259    
FOB,PFOB,DIAG,PSTEP=   -0.5673171507E-05   -0.5638022294E-05     736.3144983        0.7657750217E-08
J1,K1,R1,R2,RAT=   8   8   -0.7416311848E-02     2.007393424        0.9925836882    
FOB,PFOB,DIAG,PSTEP=   -0.5737811078E-05   -0.5695570468E-05     673.9621110        0.8450973069E-08
J1,K1,R1,R2,RAT=   9   9   -0.7926859600E-01     2.079227628        0.9207314040    
FOB,PFOB,DIAG,PSTEP=   -0.9022384168E-06   -0.8359708257E-06     627.5294917        0.1332189102E-08
J1,K1,R1,R2,RAT=  10  10    0.9322813100E-03     1.999107535        0.9990677187    
FOB,PFOB,DIAG,PSTEP=    0.2323691897E-05    0.2325860209E-05     603.7008336       -0.3852593498E-08
J1,K1,R1,R2,RAT=  11  11    0.1374521422E-01     1.986288001        0.9862547858    
FOB,PFOB,DIAG,PSTEP=   -0.1661883527E-05   -0.1685044440E-05     587.8156972        0.2866572743E-08
J1,K1,R1,R2,RAT= 109 109   -0.1096576347E-01     2.010891083        0.9890342365    
FOB,PFOB,DIAG,PSTEP=    0.7083642704E-04    0.7006804870E-04     13.81055023       -0.5073705535E-05
J1,K1,R1,R2,RAT= 110 110   -0.5556208115         152.6378451        0.4443791885    
FOB,PFOB,DIAG,PSTEP=    0.9375377097E-02    0.9307369566E-02     12.23991773       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     43.84524378        0.3312630747        0.6687369253    
FOB,PFOB,DIAG,PSTEP=    0.2166424516E-02   -0.2199409614E-02     9.957372233        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     177.7846086       -0.8028238368        0.1971761632    
FOB,PFOB,DIAG,PSTEP=   -0.1044881445E-01    0.1035487103E-01     8.678504677       -0.1348345585E-04
J1,K1,R1,R2,RAT= 113 113     333.3783927       -0.8044897066        0.1955102934    
FOB,PFOB,DIAG,PSTEP=    0.2608843674E-01   -0.2596282959E-01     6.810829855        0.2292418054E-04
J1,K1,R1,R2,RAT= 114 114    -908.9410545        0.9907640012        0.9235998784E-02
FOB,PFOB,DIAG,PSTEP=    0.7276174678       -0.7260329596         3.998197738       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00000      0.00001      0.00002 
     0.00002     -0.00001      0.00001     -0.00003      0.00000     -0.00002 
     0.00003      0.00003     -0.00002      0.00003      0.00002      0.00002 
     0.00001      0.00001      0.00001     -0.00003     -0.00001     -0.00007 
     0.00003      0.00003     -0.00008     -0.00002     -0.00005      0.00001 
    -0.00001     -0.00002      0.00002     -0.00001     -0.00002      0.00005 
    -0.00004     -0.00001     -0.00004     -0.00001      0.00002      0.00006 
     0.00002      0.00006      0.00002     -0.00005     -0.00002     -0.00000 
     0.00004     -0.00005      0.00012      0.00009     -0.00003      0.00010 
     0.00003     -0.00011      0.00006     -0.00003      0.00009      0.00001 
     0.00007      0.00938      0.00217     -0.01045      0.02609      0.72762 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4180691432
 Log product of positive Hessian eigenvalues =          519.6378934122
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9981977383
 Unscaled step for mode    7=        0.0000000077
 Unscaled step for mode    8=        0.0000000085
 Unscaled step for mode    9=        0.0000000014
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000073
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000149
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000425
 Unscaled step for mode   20=       -0.0000000156
 Unscaled step for mode   21=       -0.0000000162
 Unscaled step for mode   22=        0.0000000236
 Unscaled step for mode   23=       -0.0000000030
 Unscaled step for mode   24=        0.0000000095
 Unscaled step for mode   25=        0.0000000624
 Unscaled step for mode   26=        0.0000001040
 Unscaled step for mode   27=        0.0000000533
 Unscaled step for mode   28=       -0.0000000444
 Unscaled step for mode   29=       -0.0000000588
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000605
 Unscaled step for mode   32=        0.0000000278
 Unscaled step for mode   33=       -0.0000000482
 Unscaled step for mode   34=       -0.0000000500
 Unscaled step for mode   35=       -0.0000000914
 Unscaled step for mode   36=       -0.0000000775
 Unscaled step for mode   37=        0.0000000770
 Unscaled step for mode   38=       -0.0000000054
 Unscaled step for mode   39=        0.0000000855
 Unscaled step for mode   40=        0.0000000777
 Unscaled step for mode   41=        0.0000001841
 Unscaled step for mode   42=        0.0000000663
 Unscaled step for mode   43=        0.0000000797
 Unscaled step for mode   44=        0.0000001443
 Unscaled step for mode   45=       -0.0000000062
 Unscaled step for mode   46=       -0.0000001395
 Unscaled step for mode   47=        0.0000001451
 Unscaled step for mode   48=       -0.0000000305
 Unscaled step for mode   49=       -0.0000001421
 Unscaled step for mode   50=       -0.0000000469
 Unscaled step for mode   51=        0.0000000954
 Unscaled step for mode   52=       -0.0000000280
 Unscaled step for mode   53=       -0.0000000824
 Unscaled step for mode   54=       -0.0000001223
 Unscaled step for mode   55=       -0.0000001291
 Unscaled step for mode   56=        0.0000000387
 Unscaled step for mode   57=       -0.0000000815
 Unscaled step for mode   58=        0.0000001698
 Unscaled step for mode   59=       -0.0000000241
 Unscaled step for mode   60=        0.0000001673
 Unscaled step for mode   61=       -0.0000002340
 Unscaled step for mode   62=       -0.0000002011
 Unscaled step for mode   63=        0.0000001679
 Unscaled step for mode   64=       -0.0000002520
 Unscaled step for mode   65=       -0.0000001830
 Unscaled step for mode   66=       -0.0000001279
 Unscaled step for mode   67=       -0.0000000836
 Unscaled step for mode   68=       -0.0000000789
 Unscaled step for mode   69=       -0.0000000587
 Unscaled step for mode   70=        0.0000002627
 Unscaled step for mode   71=        0.0000000613
 Unscaled step for mode   72=        0.0000006452
 Unscaled step for mode   73=       -0.0000002878
 Unscaled step for mode   74=       -0.0000002693
 Unscaled step for mode   75=        0.0000008439
 Unscaled step for mode   76=        0.0000001996
 Unscaled step for mode   77=        0.0000005202
 Unscaled step for mode   78=       -0.0000000926
 Unscaled step for mode   79=        0.0000000913
 Unscaled step for mode   80=        0.0000002601
 Unscaled step for mode   81=       -0.0000003029
 Unscaled step for mode   82=        0.0000001103
 Unscaled step for mode   83=        0.0000002034
 Unscaled step for mode   84=       -0.0000006599
 Unscaled step for mode   85=        0.0000005529
 Unscaled step for mode   86=        0.0000001727
 Unscaled step for mode   87=        0.0000006707
 Unscaled step for mode   88=        0.0000001425
 Unscaled step for mode   89=       -0.0000003498
 Unscaled step for mode   90=       -0.0000010562
 Unscaled step for mode   91=       -0.0000003283
 Unscaled step for mode   92=       -0.0000011096
 Unscaled step for mode   93=       -0.0000003036
 Unscaled step for mode   94=        0.0000010246
 Unscaled step for mode   95=        0.0000003548
 Unscaled step for mode   96=        0.0000000469
 Unscaled step for mode   97=       -0.0000010120
 Unscaled step for mode   98=        0.0000012395
 Unscaled step for mode   99=       -0.0000033192
 Unscaled step for mode  100=       -0.0000024731
 Unscaled step for mode  101=        0.0000007575
 Unscaled step for mode  102=       -0.0000036119
 Unscaled step for mode  103=       -0.0000011838
 Unscaled step for mode  104=        0.0000039399
 Unscaled step for mode  105=       -0.0000027790
 Unscaled step for mode  106=        0.0000014606
 Unscaled step for mode  107=       -0.0000044932
 Unscaled step for mode  108=       -0.0000004675
 Unscaled step for mode  109=       -0.0000051292
 Unscaled step for mode  110=       -0.0007659669
 Unscaled step for mode  111=       -0.0002175699
 Unscaled step for mode  112=        0.0012039861
 Unscaled step for mode  113=       -0.0038303782
 Unscaled step for mode  114=        0.1763281157
 Largest modulus ratio of non-zero e/values=           184.1616014    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.719910E-16    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.523995E-15    0.100700E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.230257E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.897722E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.614526E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.343611E-15    0.973972E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.567317E-05    0.736314E+03  0.770482E-08 0.100000E-04    0.993766E+00
   8   -0.573781E-05    0.673962E+03  0.851355E-08 0.100000E-04    0.992584E+00
   9   -0.902238E-06    0.627529E+03  0.143776E-08 0.100000E-04    0.920731E+00
  10    0.232369E-05    0.603701E+03 -0.384908E-08 0.100000E-04    0.999068E+00
  11   -0.166188E-05    0.587816E+03  0.282722E-08 0.100000E-04    0.986255E+00
  12   -0.416480E-05    0.573432E+03  0.726293E-08 0.100000E-04    0.969914E+00
  13   -0.361003E-05    0.567084E+03  0.636595E-08 0.100000E-04    0.995472E+00
  14    0.421543E-06    0.484123E+03 -0.870735E-09 0.100000E-04    0.770427E+00
  15    0.189989E-05    0.463972E+03 -0.409484E-08 0.100000E-04    0.986469E+00
  16    0.686209E-05    0.461005E+03 -0.148851E-07 0.100000E-04    0.999716E+00
  17    0.460177E-05    0.441481E+03 -0.104235E-07 0.100000E-04    0.989988E+00
  18    0.489489E-05    0.429342E+03 -0.114009E-07 0.100000E-04    0.988834E+00
  19   -0.179200E-04    0.421993E+03  0.424652E-07 0.100000E-04    0.999227E+00
  20    0.637826E-05    0.408284E+03 -0.156221E-07 0.100000E-04    0.987709E+00
  21    0.645250E-05    0.397158E+03 -0.162467E-07 0.100000E-04    0.991023E+00
  22   -0.918532E-05    0.388740E+03  0.236285E-07 0.100000E-04    0.990952E+00
  23    0.108656E-05    0.368278E+03 -0.295038E-08 0.100000E-04    0.921382E+00
  24   -0.344485E-05    0.361356E+03  0.953312E-08 0.100000E-04    0.974865E+00
  25   -0.218649E-04    0.350501E+03  0.623820E-07 0.100000E-04    0.999843E+00
  26   -0.348940E-04    0.335470E+03  0.104015E-06 0.100000E-04    0.999158E+00
  27   -0.173954E-04    0.326577E+03  0.532658E-07 0.100000E-04    0.999229E+00
  28    0.142572E-04    0.321451E+03 -0.443525E-07 0.100000E-04    0.995967E+00
  29    0.188340E-04    0.320243E+03 -0.588116E-07 0.100000E-04    0.987980E+00
  30   -0.250048E-04    0.311651E+03  0.802333E-07 0.100000E-04    0.998349E+00
  31   -0.183548E-04    0.303334E+03  0.605100E-07 0.100000E-04    0.993756E+00
  32   -0.803326E-05    0.289023E+03  0.277945E-07 0.100000E-04    0.987824E+00
  33    0.134348E-04    0.278565E+03 -0.482287E-07 0.100000E-04    0.997269E+00
  34    0.135563E-04    0.271002E+03 -0.500230E-07 0.100000E-04    0.993945E+00
  35    0.244337E-04    0.267273E+03 -0.914184E-07 0.100000E-04    0.997827E+00
  36    0.204877E-04    0.264512E+03 -0.774547E-07 0.100000E-04    0.993311E+00
  37   -0.200450E-04    0.260328E+03  0.769991E-07 0.100000E-04    0.999221E+00
  38    0.138272E-05    0.253939E+03 -0.544509E-08 0.100000E-04    0.941808E+00
  39   -0.207066E-04    0.242064E+03  0.855418E-07 0.100000E-04    0.999450E+00
  40   -0.185609E-04    0.238839E+03  0.777129E-07 0.100000E-04    0.986744E+00
  41   -0.431818E-04    0.234511E+03  0.184135E-06 0.100000E-04    0.996160E+00
  42   -0.151355E-04    0.228288E+03  0.662999E-07 0.100000E-04    0.988631E+00
  43   -0.174785E-04    0.219225E+03  0.797285E-07 0.100000E-04    0.994068E+00
  44   -0.309045E-04    0.214113E+03  0.144337E-06 0.100000E-04    0.991716E+00
  45    0.132810E-05    0.212594E+03 -0.624713E-08 0.100000E-04    0.992054E+00
  46    0.289093E-04    0.207190E+03 -0.139530E-06 0.100000E-04    0.994985E+00
  47   -0.295287E-04    0.203573E+03  0.145052E-06 0.100000E-04    0.998758E+00
  48    0.601891E-05    0.197165E+03 -0.305272E-07 0.100000E-04    0.997230E+00
  49    0.277277E-04    0.195114E+03 -0.142110E-06 0.100000E-04    0.996240E+00
  50    0.898579E-05    0.191454E+03 -0.469344E-07 0.100000E-04    0.985838E+00
  51   -0.175348E-04    0.183831E+03  0.953858E-07 0.100000E-04    0.999213E+00
  52    0.489408E-05    0.174623E+03 -0.280266E-07 0.100000E-04    0.993295E+00
  53    0.141854E-04    0.172086E+03 -0.824318E-07 0.100000E-04    0.998718E+00
  54    0.205019E-04    0.167612E+03 -0.122317E-06 0.100000E-04    0.997499E+00
  55    0.212641E-04    0.164678E+03 -0.129125E-06 0.100000E-04    0.997528E+00
  56   -0.614193E-05    0.158512E+03  0.387474E-07 0.100000E-04    0.983448E+00
  57    0.125642E-04    0.154194E+03 -0.814835E-07 0.100000E-04    0.998712E+00
  58   -0.257375E-04    0.151592E+03  0.169781E-06 0.100000E-04    0.998179E+00
  59    0.357307E-05    0.148259E+03 -0.241003E-07 0.100000E-04    0.971980E+00
  60   -0.239874E-04    0.143370E+03  0.167311E-06 0.100000E-04    0.999345E+00
  61    0.321110E-04    0.137251E+03 -0.233957E-06 0.100000E-04    0.999550E+00
  62    0.273256E-04    0.135911E+03 -0.201056E-06 0.100000E-04    0.997785E+00
  63   -0.219301E-04    0.130598E+03  0.167921E-06 0.100000E-04    0.993940E+00
  64    0.323267E-04    0.128260E+03 -0.252041E-06 0.100000E-04    0.995736E+00
  65    0.231056E-04    0.126257E+03 -0.183005E-06 0.100000E-04    0.997488E+00
  66    0.160408E-04    0.125406E+03 -0.127910E-06 0.100000E-04    0.994463E+00
  67    0.100201E-04    0.119818E+03 -0.836272E-07 0.100000E-04    0.981039E+00
  68    0.932149E-05    0.118106E+03 -0.789247E-07 0.100000E-04    0.994676E+00
  69    0.687262E-05    0.117079E+03 -0.587008E-07 0.100000E-04    0.998599E+00
  70   -0.291055E-04    0.110778E+03  0.262736E-06 0.100000E-04    0.995054E+00
  71   -0.659733E-05    0.107552E+03  0.613406E-07 0.100000E-04    0.990632E+00
  72   -0.675080E-04    0.104633E+03  0.645190E-06 0.100000E-04    0.996387E+00
  73    0.296656E-04    0.103088E+03 -0.287769E-06 0.100000E-04    0.999161E+00
  74    0.268531E-04    0.997283E+02 -0.269263E-06 0.100000E-04    0.996146E+00
  75   -0.808186E-04    0.957702E+02  0.843880E-06 0.100000E-04    0.999336E+00
  76   -0.188273E-04    0.943311E+02  0.199588E-06 0.100000E-04    0.973107E+00
  77   -0.486193E-04    0.934584E+02  0.520224E-06 0.100000E-04    0.991619E+00
  78    0.840033E-05    0.906733E+02 -0.926439E-07 0.100000E-04    0.997434E+00
  79   -0.816534E-05    0.894829E+02  0.912503E-07 0.100000E-04    0.997281E+00
  80   -0.221395E-04    0.851199E+02  0.260098E-06 0.100000E-04    0.997725E+00
  81    0.245016E-04    0.809012E+02 -0.302858E-06 0.100000E-04    0.995786E+00
  82   -0.881636E-05    0.799110E+02  0.110327E-06 0.100000E-04    0.974614E+00
  83   -0.159127E-04    0.782400E+02  0.203383E-06 0.100000E-04    0.994463E+00
  84    0.480995E-04    0.728850E+02 -0.659937E-06 0.100000E-04    0.997703E+00
  85   -0.400421E-04    0.724216E+02  0.552903E-06 0.100000E-04    0.992009E+00
  86   -0.117883E-04    0.682531E+02  0.172714E-06 0.100000E-04    0.992116E+00
  87   -0.442806E-04    0.660245E+02  0.670669E-06 0.100000E-04    0.997081E+00
  88   -0.897685E-05    0.629876E+02  0.142518E-06 0.100000E-04    0.969838E+00
  89    0.209686E-04    0.599394E+02 -0.349830E-06 0.100000E-04    0.967289E+00
  90    0.629631E-04    0.596156E+02 -0.105615E-05 0.100000E-04    0.999851E+00
  91    0.193897E-04    0.590539E+02 -0.328338E-06 0.100000E-04    0.982418E+00
  92    0.621913E-04    0.560500E+02 -0.110957E-05 0.100000E-04    0.999465E+00
  93    0.159838E-04    0.526551E+02 -0.303556E-06 0.100000E-04    0.973336E+00
  94   -0.536049E-04    0.523160E+02  0.102464E-05 0.100000E-04    0.997282E+00
  95   -0.177512E-04    0.500321E+02  0.354796E-06 0.100000E-04    0.991330E+00
  96   -0.222063E-05    0.473185E+02  0.469295E-07 0.100000E-04    0.988364E+00
  97    0.433880E-04    0.428723E+02 -0.101203E-05 0.100000E-04    0.992453E+00
  98   -0.502059E-04    0.405042E+02  0.123952E-05 0.100000E-04    0.999651E+00
  99    0.124815E-03    0.376038E+02 -0.331922E-05 0.100000E-04    0.996651E+00
 100    0.897462E-04    0.362893E+02 -0.247308E-05 0.100000E-04    0.994506E+00
 101   -0.258122E-04    0.340778E+02  0.757450E-06 0.100000E-04    0.989160E+00
 102    0.104016E-03    0.287978E+02 -0.361193E-05 0.100000E-04    0.999496E+00
 103    0.338518E-04    0.285963E+02 -0.118378E-05 0.100000E-04    0.986884E+00
 104   -0.106922E-03    0.271379E+02  0.393995E-05 0.100000E-04    0.991737E+00
 105    0.641164E-04    0.230715E+02 -0.277903E-05 0.100000E-04    0.995616E+00
 106   -0.308211E-04    0.211019E+02  0.146058E-05 0.100000E-04    0.993170E+00
 107    0.924984E-04    0.205861E+02 -0.449324E-05 0.100000E-04    0.986843E+00
 108    0.784794E-05    0.167853E+02 -0.467547E-06 0.100000E-04    0.904949E+00
 109    0.708364E-04    0.138106E+02 -0.512915E-05 0.100000E-04    0.989034E+00
 110    0.937538E-02    0.122399E+02 -0.100000E-04 0.100000E-04    0.444379E+00
 111    0.216642E-02    0.995737E+01 -0.100000E-04 0.100000E-04    0.668737E+00
 112   -0.104488E-01    0.867850E+01  0.146970E-04 0.146970E-04    0.197176E+00
 113    0.260884E-01    0.681083E+01 -0.249874E-04 0.249874E-04    0.195510E+00
 114    0.727617E+00    0.399820E+01  0.400000E-03 0.400000E-03    0.923600E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1763281157    

 Beginning of optimization cycle  376.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3437498526
 potential> RMS force:                                               0.0683530260   |gradient|=.7298106071    
 Eigenvalues of the Hessian matrix:
   736.37873    673.96972    627.54261    603.68857    587.80589    573.47522 
   567.08485    484.14968    463.94868    460.99841    441.48290    429.33493 
   421.99554    408.28919    397.15300    388.73639    368.28748    361.34755 
   350.49306    335.45860    326.59302    321.45299    320.23776    311.63114 
   303.31929    289.03285    278.56036    271.01001    267.28091    264.51665 
   260.34636    253.93798    242.05993    238.85215    234.50002    228.28256 
   219.20437    214.12043    212.60081    207.18796    203.57193    197.15675 
   195.11027    191.45272    183.82121    174.61329    172.09127    167.61400 
   164.66935    158.50081    154.19869    151.59824    148.24917    143.37178 
   137.25522    135.91183    130.59637    128.26443    126.26084    125.40127 
   119.82007    118.10691    117.07987    110.77310    107.54586    104.62998 
   103.08769     99.72739     95.76932     94.31729     93.46932     90.67733 
    89.47708     85.12296     80.90087     79.91320     78.23882     72.88772 
    72.42605     68.25223     66.01301     62.98120     59.93853     59.61039 
    59.05253     56.05007     52.65270     52.31629     50.03145     47.31278 
    42.87283     40.50691     37.60770     36.29171     34.06540     28.79749 
    28.59504     27.13014     23.07361     21.09622     20.58922     16.78445 
    13.81108     12.23983      9.95881      8.67440      6.80273      3.99277 
overlap for current and previous eigenvector    109 is         0.9999997487
overlap for current and previous eigenvector    110 is        -0.9999996009
overlap for current and previous eigenvector    111 is         0.9999995136
overlap for current and previous eigenvector    112 is         0.9999960633
overlap for current and previous eigenvector    113 is        -0.9999962861
overlap for current and previous eigenvector    114 is        -0.9999997041
J1,K1,R1,R2,RAT=   7   7   -0.5993901524E-02     2.005819449        0.9940060985    
FOB,PFOB,DIAG,PSTEP=   -0.5707178905E-05   -0.5673171507E-05     736.3787297        0.7704821133E-08
J1,K1,R1,R2,RAT=   8   8   -0.7671177413E-02     2.007648597        0.9923288226    
FOB,PFOB,DIAG,PSTEP=   -0.5781827342E-05   -0.5737811078E-05     673.9697202        0.8513551407E-08
J1,K1,R1,R2,RAT=   9   9   -0.7944260928E-01     2.079400798        0.9205573907    
FOB,PFOB,DIAG,PSTEP=   -0.9739160893E-06   -0.9022384168E-06     627.5426109        0.1437762573E-08
J1,K1,R1,R2,RAT=  10  10   -0.6846747748E-03     2.000725318        0.9993153252    
FOB,PFOB,DIAG,PSTEP=    0.2325282837E-05    0.2323691897E-05     603.6885656       -0.3849078496E-08
J1,K1,R1,R2,RAT=  11  11    0.1490627106E-01     1.985127095        0.9850937289    
FOB,PFOB,DIAG,PSTEP=   -0.1637111454E-05   -0.1661883527E-05     587.8058909        0.2827218693E-08
J1,K1,R1,R2,RAT= 109 109   -0.1234259864E-01     2.012266522        0.9876574014    
FOB,PFOB,DIAG,PSTEP=    0.7171076588E-04    0.7083642704E-04     13.81107558       -0.5129153137E-05
J1,K1,R1,R2,RAT= 110 110     153.7394929       -0.5448790737        0.4551209263    
FOB,PFOB,DIAG,PSTEP=   -0.9442069347E-02    0.9375377097E-02     12.23982602       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3253764465         43.18232154        0.6746235535    
FOB,PFOB,DIAG,PSTEP=    0.2134020894E-02    0.2166424516E-02     9.958810126       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7313553531         164.6505116        0.2686446469    
FOB,PFOB,DIAG,PSTEP=   -0.1054205305E-01   -0.1044881445E-01     8.674402851        0.1469696688E-04
J1,K1,R1,R2,RAT= 113 113     307.7102760       -0.7553448553        0.2446551447    
FOB,PFOB,DIAG,PSTEP=   -0.2621683191E-01    0.2608843674E-01     6.802728199       -0.2498735679E-04
J1,K1,R1,R2,RAT= 114 114    -912.1586890        0.9902686533        0.9731346749E-02
FOB,PFOB,DIAG,PSTEP=   -0.7291990344        0.7276174678         3.992771542        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00000     -0.00001      0.00002 
    -0.00002     -0.00001     -0.00001     -0.00003      0.00000      0.00002 
    -0.00003     -0.00003      0.00002      0.00003     -0.00002      0.00002 
     0.00001      0.00001      0.00001      0.00003      0.00001      0.00007 
    -0.00003     -0.00003     -0.00008      0.00002      0.00005      0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001      0.00002      0.00005 
     0.00004      0.00001      0.00004      0.00001     -0.00002      0.00006 
     0.00002     -0.00006     -0.00002      0.00005      0.00002     -0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009     -0.00003     -0.00010 
    -0.00003     -0.00011      0.00006      0.00003     -0.00009      0.00001 
     0.00007     -0.00944      0.00213     -0.01054     -0.02622     -0.72920 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4178732019
 Log product of positive Hessian eigenvalues =          519.6337938260
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9927715422
 Unscaled step for mode    7=        0.0000000078
 Unscaled step for mode    8=        0.0000000086
 Unscaled step for mode    9=        0.0000000016
 Unscaled step for mode   10=       -0.0000000039
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000075
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000149
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000425
 Unscaled step for mode   20=       -0.0000000154
 Unscaled step for mode   21=       -0.0000000161
 Unscaled step for mode   22=        0.0000000239
 Unscaled step for mode   23=       -0.0000000032
 Unscaled step for mode   24=        0.0000000098
 Unscaled step for mode   25=        0.0000000624
 Unscaled step for mode   26=        0.0000001041
 Unscaled step for mode   27=        0.0000000532
 Unscaled step for mode   28=       -0.0000000441
 Unscaled step for mode   29=       -0.0000000595
 Unscaled step for mode   30=        0.0000000804
 Unscaled step for mode   31=        0.0000000609
 Unscaled step for mode   32=        0.0000000282
 Unscaled step for mode   33=       -0.0000000483
 Unscaled step for mode   34=       -0.0000000503
 Unscaled step for mode   35=       -0.0000000917
 Unscaled step for mode   36=       -0.0000000781
 Unscaled step for mode   37=        0.0000000770
 Unscaled step for mode   38=       -0.0000000057
 Unscaled step for mode   39=        0.0000000856
 Unscaled step for mode   40=        0.0000000788
 Unscaled step for mode   41=        0.0000001849
 Unscaled step for mode   42=        0.0000000672
 Unscaled step for mode   43=        0.0000000802
 Unscaled step for mode   44=        0.0000001456
 Unscaled step for mode   45=       -0.0000000063
 Unscaled step for mode   46=       -0.0000001403
 Unscaled step for mode   47=        0.0000001453
 Unscaled step for mode   48=       -0.0000000304
 Unscaled step for mode   49=       -0.0000001426
 Unscaled step for mode   50=       -0.0000000462
 Unscaled step for mode   51=        0.0000000954
 Unscaled step for mode   52=        0.0000000282
 Unscaled step for mode   53=        0.0000000823
 Unscaled step for mode   54=       -0.0000001226
 Unscaled step for mode   55=        0.0000001295
 Unscaled step for mode   56=        0.0000000395
 Unscaled step for mode   57=        0.0000000814
 Unscaled step for mode   58=        0.0000001701
 Unscaled step for mode   59=       -0.0000000248
 Unscaled step for mode   60=       -0.0000001672
 Unscaled step for mode   61=        0.0000002338
 Unscaled step for mode   62=        0.0000002006
 Unscaled step for mode   63=       -0.0000001668
 Unscaled step for mode   64=       -0.0000002531
 Unscaled step for mode   65=        0.0000001825
 Unscaled step for mode   66=       -0.0000001272
 Unscaled step for mode   67=       -0.0000000854
 Unscaled step for mode   68=       -0.0000000785
 Unscaled step for mode   69=       -0.0000000587
 Unscaled step for mode   70=       -0.0000002641
 Unscaled step for mode   71=       -0.0000000619
 Unscaled step for mode   72=       -0.0000006475
 Unscaled step for mode   73=        0.0000002876
 Unscaled step for mode   74=        0.0000002684
 Unscaled step for mode   75=        0.0000008445
 Unscaled step for mode   76=       -0.0000002050
 Unscaled step for mode   77=       -0.0000005159
 Unscaled step for mode   78=       -0.0000000927
 Unscaled step for mode   79=        0.0000000911
 Unscaled step for mode   80=        0.0000002594
 Unscaled step for mode   81=        0.0000003043
 Unscaled step for mode   82=        0.0000001130
 Unscaled step for mode   83=       -0.0000002020
 Unscaled step for mode   84=       -0.0000006616
 Unscaled step for mode   85=       -0.0000005482
 Unscaled step for mode   86=       -0.0000001739
 Unscaled step for mode   87=       -0.0000006682
 Unscaled step for mode   88=       -0.0000001472
 Unscaled step for mode   89=        0.0000003382
 Unscaled step for mode   90=       -0.0000010550
 Unscaled step for mode   91=       -0.0000003333
 Unscaled step for mode   92=        0.0000011092
 Unscaled step for mode   93=        0.0000002945
 Unscaled step for mode   94=       -0.0000010278
 Unscaled step for mode   95=       -0.0000003517
 Unscaled step for mode   96=        0.0000000467
 Unscaled step for mode   97=        0.0000010032
 Unscaled step for mode   98=        0.0000012397
 Unscaled step for mode   99=        0.0000033078
 Unscaled step for mode  100=        0.0000024594
 Unscaled step for mode  101=        0.0000007448
 Unscaled step for mode  102=        0.0000036104
 Unscaled step for mode  103=        0.0000011992
 Unscaled step for mode  104=        0.0000039742
 Unscaled step for mode  105=       -0.0000027634
 Unscaled step for mode  106=       -0.0000014436
 Unscaled step for mode  107=        0.0000044357
 Unscaled step for mode  108=       -0.0000004030
 Unscaled step for mode  109=       -0.0000051923
 Unscaled step for mode  110=        0.0007714214
 Unscaled step for mode  111=       -0.0002142847
 Unscaled step for mode  112=        0.0012153041
 Unscaled step for mode  113=        0.0038538130
 Unscaled step for mode  114=       -0.1769137571
 Largest modulus ratio of non-zero e/values=           184.4279649    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.333284E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.532994E-15    0.100699E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.122577E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.339626E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.863459E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.470517E-15    0.973974E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.570718E-05    0.736379E+03  0.775033E-08 0.100000E-04    0.994006E+00
   8   -0.578183E-05    0.673970E+03  0.857876E-08 0.100000E-04    0.992329E+00
   9   -0.973916E-06    0.627543E+03  0.155195E-08 0.100000E-04    0.920557E+00
  10    0.232528E-05    0.603689E+03 -0.385179E-08 0.100000E-04    0.999315E+00
  11   -0.163711E-05    0.587806E+03  0.278512E-08 0.100000E-04    0.985094E+00
  12   -0.429464E-05    0.573475E+03  0.748880E-08 0.100000E-04    0.968827E+00
  13   -0.359281E-05    0.567085E+03  0.633557E-08 0.100000E-04    0.995226E+00
  14    0.506086E-06    0.484150E+03 -0.104531E-08 0.100000E-04    0.799455E+00
  15    0.187044E-05    0.463949E+03 -0.403158E-08 0.100000E-04    0.984501E+00
  16    0.685969E-05    0.460998E+03 -0.148801E-07 0.100000E-04    0.999649E+00
  17    0.455854E-05    0.441483E+03 -0.103255E-07 0.100000E-04    0.990595E+00
  18    0.482925E-05    0.429335E+03 -0.112482E-07 0.100000E-04    0.986589E+00
  19   -0.179297E-04    0.421996E+03  0.424879E-07 0.100000E-04    0.999459E+00
  20    0.629563E-05    0.408289E+03 -0.154195E-07 0.100000E-04    0.987018E+00
  21    0.639155E-05    0.397153E+03 -0.160934E-07 0.100000E-04    0.990553E+00
  22   -0.927611E-05    0.388736E+03  0.238622E-07 0.100000E-04    0.990116E+00
  23    0.117052E-05    0.368287E+03 -0.317828E-08 0.100000E-04    0.922733E+00
  24   -0.352743E-05    0.361348E+03  0.976187E-08 0.100000E-04    0.976027E+00
  25   -0.218651E-04    0.350493E+03  0.623837E-07 0.100000E-04    0.999994E+00
  26   -0.349161E-04    0.335459E+03  0.104085E-06 0.100000E-04    0.999369E+00
  27   -0.173780E-04    0.326593E+03  0.532099E-07 0.100000E-04    0.998902E+00
  28    0.141875E-04    0.321453E+03 -0.441356E-07 0.100000E-04    0.995104E+00
  29    0.190457E-04    0.320238E+03 -0.594738E-07 0.100000E-04    0.988756E+00
  30   -0.250683E-04    0.311631E+03  0.804421E-07 0.100000E-04    0.997461E+00
  31   -0.184663E-04    0.303319E+03  0.608806E-07 0.100000E-04    0.993925E+00
  32   -0.814971E-05    0.289033E+03  0.281965E-07 0.100000E-04    0.985504E+00
  33    0.134683E-04    0.278560E+03 -0.483498E-07 0.100000E-04    0.997504E+00
  34    0.136350E-04    0.271010E+03 -0.503118E-07 0.100000E-04    0.994198E+00
  35    0.244978E-04    0.267281E+03 -0.916555E-07 0.100000E-04    0.997376E+00
  36    0.206555E-04    0.264517E+03 -0.780878E-07 0.100000E-04    0.991806E+00
  37   -0.200593E-04    0.260346E+03  0.770484E-07 0.100000E-04    0.999289E+00
  38    0.145330E-05    0.253938E+03 -0.572303E-08 0.100000E-04    0.948958E+00
  39   -0.207157E-04    0.242060E+03  0.855808E-07 0.100000E-04    0.999563E+00
  40   -0.188114E-04    0.238852E+03  0.787577E-07 0.100000E-04    0.986501E+00
  41   -0.433553E-04    0.234500E+03  0.184884E-06 0.100000E-04    0.995983E+00
  42   -0.153302E-04    0.228283E+03  0.671543E-07 0.100000E-04    0.987138E+00
  43   -0.175891E-04    0.219204E+03  0.802405E-07 0.100000E-04    0.993674E+00
  44   -0.311707E-04    0.214120E+03  0.145576E-06 0.100000E-04    0.991385E+00
  45    0.133190E-05    0.212601E+03 -0.626480E-08 0.100000E-04    0.997141E+00
  46    0.290595E-04    0.207188E+03 -0.140257E-06 0.100000E-04    0.994805E+00
  47   -0.295730E-04    0.203572E+03  0.145270E-06 0.100000E-04    0.998499E+00
  48    0.598987E-05    0.197157E+03 -0.303813E-07 0.100000E-04    0.995175E+00
  49    0.278315E-04    0.195110E+03 -0.142645E-06 0.100000E-04    0.996256E+00
  50    0.884112E-05    0.191453E+03 -0.461791E-07 0.100000E-04    0.983900E+00
  51   -0.175441E-04    0.183821E+03  0.954410E-07 0.100000E-04    0.999473E+00
  52   -0.492163E-05    0.174613E+03  0.281859E-07 0.100000E-04    0.994371E+00
  53   -0.141566E-04    0.172091E+03  0.822620E-07 0.100000E-04    0.997913E+00
  54    0.205557E-04    0.167614E+03 -0.122637E-06 0.100000E-04    0.997374E+00
  55   -0.213304E-04    0.164669E+03  0.129535E-06 0.100000E-04    0.996883E+00
  56   -0.625905E-05    0.158501E+03  0.394891E-07 0.100000E-04    0.980929E+00
  57   -0.125543E-04    0.154199E+03  0.814163E-07 0.100000E-04    0.999142E+00
  58   -0.257890E-04    0.151598E+03  0.170114E-06 0.100000E-04    0.997999E+00
  59    0.367753E-05    0.148249E+03 -0.248064E-07 0.100000E-04    0.970763E+00
  60    0.239682E-04    0.143372E+03 -0.167175E-06 0.100000E-04    0.999171E+00
  61   -0.320904E-04    0.137255E+03  0.233801E-06 0.100000E-04    0.999306E+00
  62   -0.272691E-04    0.135912E+03  0.200638E-06 0.100000E-04    0.997913E+00
  63    0.217780E-04    0.130596E+03 -0.166758E-06 0.100000E-04    0.993066E+00
  64    0.324616E-04    0.128264E+03 -0.253083E-06 0.100000E-04    0.995829E+00
  65   -0.230370E-04    0.126261E+03  0.182456E-06 0.100000E-04    0.996971E+00
  66    0.159497E-04    0.125401E+03 -0.127190E-06 0.100000E-04    0.994326E+00
  67    0.102302E-04    0.119820E+03 -0.853798E-07 0.100000E-04    0.979029E+00
  68    0.927465E-05    0.118107E+03 -0.785276E-07 0.100000E-04    0.994963E+00
  69    0.687057E-05    0.117080E+03 -0.586827E-07 0.100000E-04    0.999684E+00
  70    0.292547E-04    0.110773E+03 -0.264096E-06 0.100000E-04    0.994873E+00
  71    0.665819E-05    0.107546E+03 -0.619103E-07 0.100000E-04    0.990774E+00
  72    0.677528E-04    0.104630E+03 -0.647547E-06 0.100000E-04    0.996373E+00
  73   -0.296481E-04    0.103088E+03  0.287601E-06 0.100000E-04    0.999412E+00
  74   -0.267636E-04    0.997274E+02  0.268368E-06 0.100000E-04    0.996667E+00
  75   -0.808785E-04    0.957693E+02  0.844513E-06 0.100000E-04    0.999260E+00
  76    0.193318E-04    0.943173E+02 -0.204965E-06 0.100000E-04    0.973204E+00
  77    0.482206E-04    0.934693E+02 -0.515897E-06 0.100000E-04    0.991566E+00
  78    0.840181E-05    0.906773E+02 -0.926561E-07 0.100000E-04    0.999825E+00
  79   -0.815371E-05    0.894771E+02  0.911262E-07 0.100000E-04    0.998575E+00
  80   -0.220822E-04    0.851230E+02  0.259416E-06 0.100000E-04    0.997342E+00
  81   -0.246164E-04    0.809009E+02  0.304278E-06 0.100000E-04    0.995314E+00
  82   -0.903398E-05    0.799132E+02  0.113047E-06 0.100000E-04    0.975317E+00
  83    0.158067E-04    0.782388E+02 -0.202032E-06 0.100000E-04    0.993343E+00
  84    0.482200E-04    0.728877E+02 -0.661565E-06 0.100000E-04    0.997496E+00
  85    0.397061E-04    0.724260E+02 -0.548230E-06 0.100000E-04    0.991488E+00
  86    0.118664E-04    0.682522E+02 -0.173862E-06 0.100000E-04    0.993369E+00
  87    0.441091E-04    0.660130E+02 -0.668188E-06 0.100000E-04    0.996126E+00
  88    0.927259E-05    0.629812E+02 -0.147228E-06 0.100000E-04    0.967052E+00
  89   -0.202733E-04    0.599385E+02  0.338235E-06 0.100000E-04    0.966840E+00
  90    0.628880E-04    0.596104E+02 -0.105498E-05 0.100000E-04    0.998806E+00
  91    0.196804E-04    0.590525E+02 -0.333269E-06 0.100000E-04    0.985006E+00
  92   -0.621682E-04    0.560501E+02  0.110916E-05 0.100000E-04    0.999628E+00
  93   -0.155082E-04    0.526527E+02  0.294537E-06 0.100000E-04    0.970243E+00
  94    0.537705E-04    0.523163E+02 -0.102780E-05 0.100000E-04    0.996910E+00
  95    0.175981E-04    0.500314E+02 -0.351742E-06 0.100000E-04    0.991379E+00
  96   -0.221120E-05    0.473128E+02  0.467359E-07 0.100000E-04    0.995754E+00
  97   -0.430116E-04    0.428728E+02  0.100324E-05 0.100000E-04    0.991302E+00
  98   -0.502144E-04    0.405069E+02  0.123965E-05 0.100000E-04    0.999830E+00
  99   -0.124398E-03    0.376077E+02  0.330777E-05 0.100000E-04    0.996448E+00
 100   -0.892551E-04    0.362917E+02  0.245938E-05 0.100000E-04    0.994396E+00
 101   -0.253731E-04    0.340654E+02  0.744836E-06 0.100000E-04    0.982982E+00
 102   -0.103972E-03    0.287975E+02  0.361044E-05 0.100000E-04    0.999577E+00
 103   -0.342925E-04    0.285950E+02  0.119925E-05 0.100000E-04    0.986979E+00
 104   -0.107821E-03    0.271301E+02  0.397420E-05 0.100000E-04    0.991594E+00
 105    0.637626E-04    0.230736E+02 -0.276344E-05 0.100000E-04    0.994302E+00
 106    0.304552E-04    0.210962E+02 -0.144363E-05 0.100000E-04    0.988124E+00
 107   -0.913281E-04    0.205892E+02  0.443572E-05 0.100000E-04    0.987051E+00
 108    0.676492E-05    0.167845E+02 -0.403047E-06 0.100000E-04    0.861992E+00
 109    0.717108E-04    0.138111E+02 -0.519227E-05 0.100000E-04    0.987657E+00
 110   -0.944207E-02    0.122398E+02  0.100000E-04 0.100000E-04    0.455121E+00
 111    0.213402E-02    0.995881E+01 -0.100000E-04 0.100000E-04    0.674624E+00
 112   -0.105421E-01    0.867440E+01  0.132405E-04 0.132405E-04    0.268645E+00
 113   -0.262168E-01    0.680273E+01  0.225111E-04 0.225111E-04    0.244655E+00
 114   -0.729199E+00    0.399277E+01 -0.400000E-03 0.400000E-03    0.973135E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1769137571    

 Beginning of optimization cycle  377.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3434586972
 potential> RMS force:                                               0.0685015255   |gradient|=.7313961477    
 Eigenvalues of the Hessian matrix:
   736.44287    673.97747    627.55547    603.67640    587.79617    573.51789 
   567.08621    484.17625    463.92540    460.99226    441.48533    429.32809 
   421.99823    408.29501    397.14794    388.73338    368.29664    361.33934 
   350.48553    335.44688    326.60862    321.45503    320.23250    311.61154 
   303.30416    289.04298    278.55607    271.01765    267.28896    264.52165 
   260.36462    253.93739    242.05543    238.86537    234.48858    228.27670 
   219.18352    214.12785    212.60756    207.18614    203.57135    197.14817 
   195.10657    191.45097    183.81154    174.60407    172.09597    167.61618 
   164.66074    158.48947    154.20376    151.60415    148.23970    143.37387 
   137.25896    135.91309    130.59489    128.26901    126.26475    125.39637 
   119.82169    118.10763    117.08089    110.76794    107.53940    104.62730 
   103.08719     99.72646     95.76853     94.30335     93.48017     90.68127 
    89.47127     85.12592     80.90048     79.91539     78.23765     72.89051 
    72.43054     68.25136     66.00162     62.97473     59.93779     59.60520 
    59.05100     56.05010     52.65038     52.31664     50.03073     47.30707 
    42.87328     40.50960     37.61156     36.29411     34.05303     28.79718 
    28.59372     27.12232     23.07568     21.09059     20.59216     16.78356 
    13.81159     12.23974      9.96026      8.67014      6.79457      3.98734 
overlap for current and previous eigenvector    109 is        -0.9999997458
overlap for current and previous eigenvector    110 is         0.9999996009
overlap for current and previous eigenvector    111 is         0.9999995216
overlap for current and previous eigenvector    112 is         0.9999959759
overlap for current and previous eigenvector    113 is         0.9999962016
overlap for current and previous eigenvector    114 is         0.9999997177
J1,K1,R1,R2,RAT=   7   7   -0.5414581173E-02     2.005240398        0.9945854188    
FOB,PFOB,DIAG,PSTEP=   -0.5738083580E-05   -0.5707178905E-05     736.4428676        0.7750331011E-08
J1,K1,R1,R2,RAT=   8   8    0.1540978416E-02     1.998436010        0.9984360097    
FOB,PFOB,DIAG,PSTEP=   -0.5772917568E-05   -0.5781827342E-05     673.9774750        0.8578764250E-08
J1,K1,R1,R2,RAT=   9   9    0.5183633867E-01     1.948122665        0.9481226648    
FOB,PFOB,DIAG,PSTEP=   -0.9234308102E-06   -0.9739160893E-06     627.5554747        0.1551952126E-08
J1,K1,R1,R2,RAT=  10  10   -0.1048057010E-01     2.010520873        0.9895194299    
FOB,PFOB,DIAG,PSTEP=    0.2349652636E-05    0.2325282837E-05     603.6764007       -0.3851792083E-08
J1,K1,R1,R2,RAT=  11  11   -0.2986958134E-01     2.029902665        0.9701304187    
FOB,PFOB,DIAG,PSTEP=   -0.1686010479E-05   -0.1637111454E-05     587.7961678        0.2785122571E-08
J1,K1,R1,R2,RAT= 109 109     1.982752562        0.1717249847E-01    0.9827525624    
FOB,PFOB,DIAG,PSTEP=   -0.7047926672E-04    0.7171076588E-04     13.81159310       -0.5192265110E-05
J1,K1,R1,R2,RAT= 110 110   -0.5591881274         154.8446928        0.4408118726    
FOB,PFOB,DIAG,PSTEP=   -0.9510512499E-02   -0.9442069347E-02     12.23973615        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3354666741         42.51525487        0.6645333259    
FOB,PFOB,DIAG,PSTEP=    0.2100607552E-02    0.2134020894E-02     9.960256523       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8351301014         184.4992230        0.1648698986    
FOB,PFOB,DIAG,PSTEP=   -0.1063792357E-01   -0.1054205305E-01     8.670141758        0.1324051070E-04
J1,K1,R1,R2,RAT= 113 113   -0.8392882714         343.6473147        0.1607117286    
FOB,PFOB,DIAG,PSTEP=   -0.2634520393E-01   -0.2621683191E-01     6.794568543        0.2251113224E-04
J1,K1,R1,R2,RAT= 114 114    0.9906784385        -915.3826156        0.9321561519E-02
FOB,PFOB,DIAG,PSTEP=   -0.7307791046       -0.7291990344         3.987343965       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00003     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00000      0.00001      0.00002 
     0.00002      0.00001      0.00001     -0.00003      0.00000      0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002     -0.00002 
     0.00001     -0.00001      0.00001      0.00003      0.00001      0.00007 
    -0.00003     -0.00003     -0.00008     -0.00002     -0.00005     -0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001      0.00002      0.00005 
     0.00004      0.00001     -0.00004      0.00001      0.00002      0.00006 
     0.00002     -0.00006     -0.00002      0.00005      0.00002      0.00000 
     0.00004      0.00005      0.00012     -0.00009      0.00003      0.00010 
     0.00003      0.00011     -0.00006      0.00003     -0.00009      0.00001 
    -0.00007     -0.00951      0.00210     -0.01064     -0.02635     -0.73078 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4176785093
 Log product of positive Hessian eigenvalues =          519.6296567242
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9873439646
 Unscaled step for mode    7=        0.0000000078
 Unscaled step for mode    8=        0.0000000086
 Unscaled step for mode    9=        0.0000000015
 Unscaled step for mode   10=       -0.0000000039
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000074
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000150
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000427
 Unscaled step for mode   20=       -0.0000000155
 Unscaled step for mode   21=       -0.0000000162
 Unscaled step for mode   22=        0.0000000238
 Unscaled step for mode   23=       -0.0000000029
 Unscaled step for mode   24=        0.0000000097
 Unscaled step for mode   25=        0.0000000627
 Unscaled step for mode   26=        0.0000001043
 Unscaled step for mode   27=        0.0000000534
 Unscaled step for mode   28=       -0.0000000441
 Unscaled step for mode   29=       -0.0000000602
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000610
 Unscaled step for mode   32=        0.0000000281
 Unscaled step for mode   33=       -0.0000000485
 Unscaled step for mode   34=       -0.0000000506
 Unscaled step for mode   35=       -0.0000000915
 Unscaled step for mode   36=       -0.0000000779
 Unscaled step for mode   37=        0.0000000773
 Unscaled step for mode   38=       -0.0000000059
 Unscaled step for mode   39=        0.0000000858
 Unscaled step for mode   40=        0.0000000790
 Unscaled step for mode   41=        0.0000001849
 Unscaled step for mode   42=        0.0000000669
 Unscaled step for mode   43=        0.0000000804
 Unscaled step for mode   44=        0.0000001455
 Unscaled step for mode   45=       -0.0000000066
 Unscaled step for mode   46=       -0.0000001405
 Unscaled step for mode   47=        0.0000001447
 Unscaled step for mode   48=       -0.0000000308
 Unscaled step for mode   49=       -0.0000001427
 Unscaled step for mode   50=       -0.0000000470
 Unscaled step for mode   51=        0.0000000957
 Unscaled step for mode   52=        0.0000000285
 Unscaled step for mode   53=       -0.0000000828
 Unscaled step for mode   54=       -0.0000001232
 Unscaled step for mode   55=       -0.0000001294
 Unscaled step for mode   56=       -0.0000000387
 Unscaled step for mode   57=       -0.0000000825
 Unscaled step for mode   58=        0.0000001702
 Unscaled step for mode   59=       -0.0000000247
 Unscaled step for mode   60=       -0.0000001679
 Unscaled step for mode   61=        0.0000002357
 Unscaled step for mode   62=        0.0000002001
 Unscaled step for mode   63=       -0.0000001676
 Unscaled step for mode   64=        0.0000002544
 Unscaled step for mode   65=        0.0000001844
 Unscaled step for mode   66=        0.0000001263
 Unscaled step for mode   67=       -0.0000000846
 Unscaled step for mode   68=        0.0000000791
 Unscaled step for mode   69=       -0.0000000594
 Unscaled step for mode   70=       -0.0000002637
 Unscaled step for mode   71=       -0.0000000615
 Unscaled step for mode   72=       -0.0000006496
 Unscaled step for mode   73=        0.0000002886
 Unscaled step for mode   74=        0.0000002685
 Unscaled step for mode   75=        0.0000008466
 Unscaled step for mode   76=        0.0000002100
 Unscaled step for mode   77=        0.0000005141
 Unscaled step for mode   78=        0.0000000959
 Unscaled step for mode   79=        0.0000000907
 Unscaled step for mode   80=        0.0000002601
 Unscaled step for mode   81=        0.0000003043
 Unscaled step for mode   82=        0.0000001137
 Unscaled step for mode   83=       -0.0000002034
 Unscaled step for mode   84=       -0.0000006661
 Unscaled step for mode   85=       -0.0000005497
 Unscaled step for mode   86=       -0.0000001782
 Unscaled step for mode   87=        0.0000006725
 Unscaled step for mode   88=       -0.0000001448
 Unscaled step for mode   89=       -0.0000003259
 Unscaled step for mode   90=       -0.0000010639
 Unscaled step for mode   91=       -0.0000003459
 Unscaled step for mode   92=        0.0000011095
 Unscaled step for mode   93=        0.0000002900
 Unscaled step for mode   94=       -0.0000010298
 Unscaled step for mode   95=       -0.0000003501
 Unscaled step for mode   96=       -0.0000000400
 Unscaled step for mode   97=       -0.0000010159
 Unscaled step for mode   98=       -0.0000012488
 Unscaled step for mode   99=       -0.0000033219
 Unscaled step for mode  100=        0.0000024654
 Unscaled step for mode  101=       -0.0000007653
 Unscaled step for mode  102=       -0.0000036225
 Unscaled step for mode  103=       -0.0000012013
 Unscaled step for mode  104=       -0.0000039742
 Unscaled step for mode  105=        0.0000027979
 Unscaled step for mode  106=       -0.0000015426
 Unscaled step for mode  107=        0.0000044451
 Unscaled step for mode  108=       -0.0000005049
 Unscaled step for mode  109=        0.0000051029
 Unscaled step for mode  110=        0.0007770189
 Unscaled step for mode  111=       -0.0002108989
 Unscaled step for mode  112=        0.0012269589
 Unscaled step for mode  113=        0.0038773334
 Unscaled step for mode  114=       -0.1775003395
 Largest modulus ratio of non-zero e/values=           184.6950938    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.144199E-15    0.101903E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.645209E-15    0.100699E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.482741E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.626978E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.682180E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.939407E-15    0.973976E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.573808E-05    0.736443E+03  0.779162E-08 0.100000E-04    0.994585E+00
   8   -0.577292E-05    0.673977E+03  0.856545E-08 0.100000E-04    0.998436E+00
   9   -0.923431E-06    0.627555E+03  0.147147E-08 0.100000E-04    0.948123E+00
  10    0.234965E-05    0.603676E+03 -0.389224E-08 0.100000E-04    0.989519E+00
  11   -0.168601E-05    0.587796E+03  0.286836E-08 0.100000E-04    0.970130E+00
  12   -0.423121E-05    0.573518E+03  0.737765E-08 0.100000E-04    0.985084E+00
  13   -0.361710E-05    0.567086E+03  0.637839E-08 0.100000E-04    0.993239E+00
  14    0.506159E-06    0.484176E+03 -0.104540E-08 0.100000E-04    0.999856E+00
  15    0.191535E-05    0.463925E+03 -0.412857E-08 0.100000E-04    0.975992E+00
  16    0.689988E-05    0.460992E+03 -0.149674E-07 0.100000E-04    0.994141E+00
  17    0.462671E-05    0.441485E+03 -0.104799E-07 0.100000E-04    0.985046E+00
  18    0.490223E-05    0.429328E+03 -0.114184E-07 0.100000E-04    0.984887E+00
  19   -0.180011E-04    0.421998E+03  0.426569E-07 0.100000E-04    0.996016E+00
  20    0.634063E-05    0.408295E+03 -0.155295E-07 0.100000E-04    0.992853E+00
  21    0.642963E-05    0.397148E+03 -0.161895E-07 0.100000E-04    0.994041E+00
  22   -0.925994E-05    0.388733E+03  0.238208E-07 0.100000E-04    0.998257E+00
  23    0.108577E-05    0.368297E+03 -0.294809E-08 0.100000E-04    0.927552E+00
  24   -0.350631E-05    0.361339E+03  0.970365E-08 0.100000E-04    0.994013E+00
  25   -0.219616E-04    0.350486E+03  0.626604E-07 0.100000E-04    0.995586E+00
  26   -0.349770E-04    0.335447E+03  0.104270E-06 0.100000E-04    0.998254E+00
  27   -0.174329E-04    0.326609E+03  0.533756E-07 0.100000E-04    0.996837E+00
  28    0.141897E-04    0.321455E+03 -0.441420E-07 0.100000E-04    0.999850E+00
  29    0.192641E-04    0.320233E+03 -0.601565E-07 0.100000E-04    0.988536E+00
  30   -0.249784E-04    0.311612E+03  0.801586E-07 0.100000E-04    0.996413E+00
  31   -0.185112E-04    0.303304E+03  0.610319E-07 0.100000E-04    0.997566E+00
  32   -0.810916E-05    0.289043E+03  0.280552E-07 0.100000E-04    0.994954E+00
  33    0.135052E-04    0.278556E+03 -0.484829E-07 0.100000E-04    0.997264E+00
  34    0.137043E-04    0.271018E+03 -0.505661E-07 0.100000E-04    0.994917E+00
  35    0.244440E-04    0.267289E+03 -0.914515E-07 0.100000E-04    0.997745E+00
  36    0.206019E-04    0.264522E+03 -0.778837E-07 0.100000E-04    0.997367E+00
  37   -0.201302E-04    0.260365E+03  0.773154E-07 0.100000E-04    0.996465E+00
  38    0.148581E-05    0.253937E+03 -0.585109E-08 0.100000E-04    0.977626E+00
  39   -0.207769E-04    0.242055E+03  0.858353E-07 0.100000E-04    0.997044E+00
  40   -0.188774E-04    0.238865E+03  0.790297E-07 0.100000E-04    0.996491E+00
  41   -0.433587E-04    0.234489E+03  0.184908E-06 0.100000E-04    0.999921E+00
  42   -0.152724E-04    0.228277E+03  0.669029E-07 0.100000E-04    0.996230E+00
  43   -0.176136E-04    0.219184E+03  0.803603E-07 0.100000E-04    0.998602E+00
  44   -0.311521E-04    0.214128E+03  0.145484E-06 0.100000E-04    0.999333E+00
  45    0.139267E-05    0.212608E+03 -0.655044E-08 0.100000E-04    0.954373E+00
  46    0.291102E-04    0.207186E+03 -0.140503E-06 0.100000E-04    0.998255E+00
  47   -0.294574E-04    0.203571E+03  0.144703E-06 0.100000E-04    0.996090E+00
  48    0.607923E-05    0.197148E+03 -0.308358E-07 0.100000E-04    0.985081E+00
  49    0.278436E-04    0.195107E+03 -0.142710E-06 0.100000E-04    0.999564E+00
  50    0.900368E-05    0.191451E+03 -0.470286E-07 0.100000E-04    0.981613E+00
  51   -0.175969E-04    0.183812E+03  0.957332E-07 0.100000E-04    0.996992E+00
  52   -0.497647E-05    0.174604E+03  0.285014E-07 0.100000E-04    0.988857E+00
  53    0.142550E-04    0.172096E+03 -0.828320E-07 0.100000E-04    0.993045E+00
  54    0.206507E-04    0.167616E+03 -0.123202E-06 0.100000E-04    0.995378E+00
  55    0.213151E-04    0.164661E+03 -0.129448E-06 0.100000E-04    0.999283E+00
  56    0.612837E-05    0.158489E+03 -0.386674E-07 0.100000E-04    0.979119E+00
  57    0.127176E-04    0.154204E+03 -0.824729E-07 0.100000E-04    0.986989E+00
  58   -0.258081E-04    0.151604E+03  0.170234E-06 0.100000E-04    0.999257E+00
  59    0.366722E-05    0.148240E+03 -0.247385E-07 0.100000E-04    0.997197E+00
  60    0.240767E-04    0.143374E+03 -0.167929E-06 0.100000E-04    0.995474E+00
  61   -0.323564E-04    0.137259E+03  0.235732E-06 0.100000E-04    0.991713E+00
  62   -0.271937E-04    0.135913E+03  0.200081E-06 0.100000E-04    0.997215E+00
  63    0.218826E-04    0.130595E+03 -0.167561E-06 0.100000E-04    0.995196E+00
  64   -0.326259E-04    0.128269E+03  0.254355E-06 0.100000E-04    0.994939E+00
  65   -0.232848E-04    0.126265E+03  0.184413E-06 0.100000E-04    0.989245E+00
  66   -0.158338E-04    0.125396E+03  0.126270E-06 0.100000E-04    0.992730E+00
  67    0.101350E-04    0.119822E+03 -0.845844E-07 0.100000E-04    0.990670E+00
  68   -0.934120E-05    0.118108E+03  0.790906E-07 0.100000E-04    0.992825E+00
  69    0.695070E-05    0.117081E+03 -0.593667E-07 0.100000E-04    0.988336E+00
  70    0.292049E-04    0.110768E+03 -0.263658E-06 0.100000E-04    0.998297E+00
  71    0.661195E-05    0.107539E+03 -0.614840E-07 0.100000E-04    0.993054E+00
  72    0.679626E-04    0.104627E+03 -0.649569E-06 0.100000E-04    0.996903E+00
  73   -0.297539E-04    0.103087E+03  0.288628E-06 0.100000E-04    0.996435E+00
  74   -0.267792E-04    0.997265E+02  0.268526E-06 0.100000E-04    0.999419E+00
  75   -0.810760E-04    0.957685E+02  0.846583E-06 0.100000E-04    0.997558E+00
  76   -0.198049E-04    0.943033E+02  0.210013E-06 0.100000E-04    0.975521E+00
  77   -0.480558E-04    0.934802E+02  0.514075E-06 0.100000E-04    0.996352E+00
  78   -0.869807E-05    0.906813E+02  0.959191E-07 0.100000E-04    0.964740E+00
  79   -0.811409E-05    0.894713E+02  0.906893E-07 0.100000E-04    0.995141E+00
  80   -0.221408E-04    0.851259E+02  0.260095E-06 0.100000E-04    0.997347E+00
  81   -0.246146E-04    0.809005E+02  0.304258E-06 0.100000E-04    0.999929E+00
  82   -0.908308E-05    0.799154E+02  0.113659E-06 0.100000E-04    0.994566E+00
  83    0.159107E-04    0.782376E+02 -0.203364E-06 0.100000E-04    0.993421E+00
  84    0.485528E-04    0.728905E+02 -0.666106E-06 0.100000E-04    0.993098E+00
  85    0.398144E-04    0.724305E+02 -0.549691E-06 0.100000E-04    0.997272E+00
  86    0.121591E-04    0.682514E+02 -0.178152E-06 0.100000E-04    0.975337E+00
  87   -0.443843E-04    0.660016E+02  0.672473E-06 0.100000E-04    0.993759E+00
  88    0.912131E-05    0.629747E+02 -0.144841E-06 0.100000E-04    0.983684E+00
  89    0.195321E-04    0.599378E+02 -0.325873E-06 0.100000E-04    0.963439E+00
  90    0.634157E-04    0.596052E+02 -0.106393E-05 0.100000E-04    0.991608E+00
  91    0.204272E-04    0.590510E+02 -0.345925E-06 0.100000E-04    0.962051E+00
  92   -0.621887E-04    0.560501E+02  0.110952E-05 0.100000E-04    0.999671E+00
  93   -0.152673E-04    0.526504E+02  0.289975E-06 0.100000E-04    0.984466E+00
  94    0.538776E-04    0.523166E+02 -0.102984E-05 0.100000E-04    0.998008E+00
  95    0.175152E-04    0.500307E+02 -0.350090E-06 0.100000E-04    0.995289E+00
  96    0.189276E-05    0.473071E+02 -0.400101E-07 0.100000E-04    0.855968E+00
  97    0.435553E-04    0.428733E+02 -0.101591E-05 0.100000E-04    0.987358E+00
  98    0.505889E-04    0.405096E+02 -0.124881E-05 0.100000E-04    0.992544E+00
  99    0.124944E-03    0.376116E+02 -0.332195E-05 0.100000E-04    0.995613E+00
 100   -0.894777E-04    0.362941E+02  0.246535E-05 0.100000E-04    0.997506E+00
 101    0.260591E-04    0.340530E+02 -0.765252E-06 0.100000E-04    0.972954E+00
 102    0.104319E-03    0.287972E+02 -0.362254E-05 0.100000E-04    0.996659E+00
 103    0.343508E-04    0.285937E+02 -0.120134E-05 0.100000E-04    0.998301E+00
 104    0.107791E-03    0.271223E+02 -0.397425E-05 0.100000E-04    0.999723E+00
 105   -0.645626E-04    0.230757E+02  0.279786E-05 0.100000E-04    0.987455E+00
 106    0.325334E-04    0.210906E+02 -0.154255E-05 0.100000E-04    0.931744E+00
 107   -0.915345E-04    0.205922E+02  0.444512E-05 0.100000E-04    0.997740E+00
 108    0.847451E-05    0.167836E+02 -0.504929E-06 0.100000E-04    0.747273E+00
 109   -0.704793E-04    0.138116E+02  0.510291E-05 0.100000E-04    0.982753E+00
 110   -0.951051E-02    0.122397E+02  0.100000E-04 0.100000E-04    0.440812E+00
 111    0.210061E-02    0.996026E+01 -0.100000E-04 0.100000E-04    0.664533E+00
 112   -0.106379E-01    0.867014E+01  0.144322E-04 0.144322E-04    0.164870E+00
 113   -0.263452E-01    0.679457E+01  0.245371E-04 0.245371E-04    0.160712E+00
 114   -0.730779E+00    0.398734E+01 -0.400000E-03 0.400000E-03    0.932156E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1775003395    

 Beginning of optimization cycle  378.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3431669804
 potential> RMS force:                                               0.0686497584   |gradient|=.7329788422    
 Eigenvalues of the Hessian matrix:
   736.50712    673.98508    627.56856    603.66400    587.78641    573.56060 
   567.08714    484.20276    463.90202    460.98610    441.48773    429.32140 
   422.00081    408.30062    397.14280    388.73018    368.30589    361.33116 
   350.47793    335.43535    326.62437    321.45712    320.22708    311.59196 
   303.28895    289.05308    278.55190    271.02538    267.29700    264.52663 
   260.38305    253.93669    242.05090    238.87867    234.47727    228.27082 
   219.16269    214.13532    212.61433    207.18441    203.57070    197.13952 
   195.10291    191.44928    183.80195    174.59489    172.10067    167.61841 
   164.65209    158.47813    154.20885    151.61003    148.23014    143.37592 
   137.26274    135.91433    130.59337    128.27361    126.26868    125.39134 
   119.82332    118.10837    117.08189    110.76282    107.53297    104.62463 
   103.08667     99.72553     95.76779     94.28931     93.49096     90.68524 
    89.46542     85.12893     80.90011     79.91762     78.23647     72.89332 
    72.43497     68.25047     65.99022     62.96820     59.93718     59.59996 
    59.04944     56.05011     52.64808     52.31695     50.03008     47.30130 
    42.87382     40.51229     37.61541     36.29648     34.04063     28.79689 
    28.59242     27.11454     23.07776     21.08502     20.59503     16.78265 
    13.81212     12.23965      9.96169      8.66609      6.78641      3.98190 
overlap for current and previous eigenvector    109 is         0.9999997505
overlap for current and previous eigenvector    110 is         0.9999996039
overlap for current and previous eigenvector    111 is         0.9999995336
overlap for current and previous eigenvector    112 is         0.9999961649
overlap for current and previous eigenvector    113 is         0.9999963684
overlap for current and previous eigenvector    114 is         0.9999997076
J1,K1,R1,R2,RAT=   7   7   -0.6209430930E-02     2.006034965        0.9937905691    
FOB,PFOB,DIAG,PSTEP=   -0.5773716922E-05   -0.5738083580E-05     736.5071152        0.7791620820E-08
J1,K1,R1,R2,RAT=   8   8   -0.7620679609E-02     2.007598108        0.9923793204    
FOB,PFOB,DIAG,PSTEP=   -0.5816911620E-05   -0.5772917568E-05     673.9850814        0.8565445853E-08
J1,K1,R1,R2,RAT=   9   9   -0.7743160674E-01     2.077389900        0.9225683933    
FOB,PFOB,DIAG,PSTEP=   -0.9949350326E-06   -0.9234308102E-06     627.5685615        0.1471472798E-08
J1,K1,R1,R2,RAT=  10  10    0.9390886413E-03     1.999102007        0.9990609114    
FOB,PFOB,DIAG,PSTEP=    0.2347446149E-05    0.2349652636E-05     603.6639968       -0.3892238678E-08
J1,K1,R1,R2,RAT=  11  11    0.1506131756E-01     1.984971898        0.9849386824    
FOB,PFOB,DIAG,PSTEP=   -0.1660617362E-05   -0.1686010479E-05     587.7864060        0.2868359087E-08
J1,K1,R1,R2,RAT= 109 109   -0.1182456668E-01     2.011748290        0.9881754333    
FOB,PFOB,DIAG,PSTEP=   -0.7131268530E-04   -0.7047926672E-04     13.81211987        0.5102906393E-05
J1,K1,R1,R2,RAT= 110 110   -0.5486588768         155.9536246        0.4513411232    
FOB,PFOB,DIAG,PSTEP=   -0.9577666429E-02   -0.9510512499E-02     12.23965072        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3303765672         41.84332933        0.6696234328    
FOB,PFOB,DIAG,PSTEP=    0.2067696453E-02    0.2100607552E-02     9.961692991       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7563543343         170.8674388        0.2436456657    
FOB,PFOB,DIAG,PSTEP=   -0.1073252105E-01   -0.1063792357E-01     8.666086380        0.1443215666E-04
J1,K1,R1,R2,RAT= 113 113   -0.7815199083         317.2043634        0.2184800917    
FOB,PFOB,DIAG,PSTEP=   -0.2647534183E-01   -0.2634520393E-01     6.786406880        0.2453713414E-04
J1,K1,R1,R2,RAT= 114 114    0.9902141751        -918.6164150        0.9785824894E-02
FOB,PFOB,DIAG,PSTEP=   -0.7323562781       -0.7307791046         3.981899732       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
     0.00002      0.00001      0.00001      0.00003     -0.00000      0.00002 
    -0.00003     -0.00003     -0.00002      0.00003      0.00002     -0.00002 
     0.00001      0.00001      0.00001      0.00003      0.00001      0.00007 
    -0.00003     -0.00003     -0.00008     -0.00002      0.00005     -0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001      0.00002      0.00005 
     0.00004      0.00001     -0.00004     -0.00001      0.00002     -0.00006 
     0.00002      0.00006      0.00001      0.00005      0.00002      0.00000 
     0.00004     -0.00005     -0.00012      0.00009     -0.00003     -0.00010 
    -0.00003     -0.00011     -0.00006     -0.00003      0.00009     -0.00001 
    -0.00007     -0.00958      0.00207     -0.01073     -0.02648     -0.73236 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4174810300
 Log product of positive Hessian eigenvalues =          519.6255350436
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9818997320
 Unscaled step for mode    7=        0.0000000078
 Unscaled step for mode    8=        0.0000000086
 Unscaled step for mode    9=        0.0000000016
 Unscaled step for mode   10=       -0.0000000039
 Unscaled step for mode   11=        0.0000000028
 Unscaled step for mode   12=        0.0000000076
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000012
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000150
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000427
 Unscaled step for mode   20=       -0.0000000153
 Unscaled step for mode   21=       -0.0000000160
 Unscaled step for mode   22=        0.0000000240
 Unscaled step for mode   23=       -0.0000000032
 Unscaled step for mode   24=        0.0000000099
 Unscaled step for mode   25=        0.0000000627
 Unscaled step for mode   26=        0.0000001044
 Unscaled step for mode   27=        0.0000000533
 Unscaled step for mode   28=       -0.0000000439
 Unscaled step for mode   29=       -0.0000000608
 Unscaled step for mode   30=        0.0000000803
 Unscaled step for mode   31=        0.0000000614
 Unscaled step for mode   32=        0.0000000284
 Unscaled step for mode   33=       -0.0000000486
 Unscaled step for mode   34=       -0.0000000509
 Unscaled step for mode   35=       -0.0000000917
 Unscaled step for mode   36=       -0.0000000784
 Unscaled step for mode   37=        0.0000000774
 Unscaled step for mode   38=       -0.0000000062
 Unscaled step for mode   39=        0.0000000859
 Unscaled step for mode   40=        0.0000000801
 Unscaled step for mode   41=        0.0000001856
 Unscaled step for mode   42=        0.0000000677
 Unscaled step for mode   43=        0.0000000808
 Unscaled step for mode   44=        0.0000001467
 Unscaled step for mode   45=       -0.0000000066
 Unscaled step for mode   46=       -0.0000001412
 Unscaled step for mode   47=        0.0000001449
 Unscaled step for mode   48=       -0.0000000307
 Unscaled step for mode   49=       -0.0000001433
 Unscaled step for mode   50=       -0.0000000463
 Unscaled step for mode   51=        0.0000000958
 Unscaled step for mode   52=       -0.0000000287
 Unscaled step for mode   53=        0.0000000827
 Unscaled step for mode   54=        0.0000001235
 Unscaled step for mode   55=       -0.0000001298
 Unscaled step for mode   56=       -0.0000000394
 Unscaled step for mode   57=       -0.0000000823
 Unscaled step for mode   58=       -0.0000001705
 Unscaled step for mode   59=        0.0000000254
 Unscaled step for mode   60=       -0.0000001678
 Unscaled step for mode   61=        0.0000002355
 Unscaled step for mode   62=        0.0000001996
 Unscaled step for mode   63=        0.0000001665
 Unscaled step for mode   64=       -0.0000002554
 Unscaled step for mode   65=       -0.0000001838
 Unscaled step for mode   66=        0.0000001256
 Unscaled step for mode   67=       -0.0000000862
 Unscaled step for mode   68=       -0.0000000786
 Unscaled step for mode   69=       -0.0000000593
 Unscaled step for mode   70=       -0.0000002650
 Unscaled step for mode   71=       -0.0000000621
 Unscaled step for mode   72=       -0.0000006519
 Unscaled step for mode   73=        0.0000002883
 Unscaled step for mode   74=        0.0000002674
 Unscaled step for mode   75=        0.0000008470
 Unscaled step for mode   76=        0.0000002152
 Unscaled step for mode   77=       -0.0000005096
 Unscaled step for mode   78=        0.0000000960
 Unscaled step for mode   79=        0.0000000905
 Unscaled step for mode   80=        0.0000002595
 Unscaled step for mode   81=        0.0000003056
 Unscaled step for mode   82=        0.0000001164
 Unscaled step for mode   83=       -0.0000002021
 Unscaled step for mode   84=       -0.0000006675
 Unscaled step for mode   85=       -0.0000005450
 Unscaled step for mode   86=       -0.0000001793
 Unscaled step for mode   87=        0.0000006705
 Unscaled step for mode   88=        0.0000001493
 Unscaled step for mode   89=       -0.0000003155
 Unscaled step for mode   90=        0.0000010625
 Unscaled step for mode   91=       -0.0000003517
 Unscaled step for mode   92=       -0.0000011089
 Unscaled step for mode   93=       -0.0000002813
 Unscaled step for mode   94=       -0.0000010326
 Unscaled step for mode   95=       -0.0000003469
 Unscaled step for mode   96=       -0.0000000396
 Unscaled step for mode   97=       -0.0000010075
 Unscaled step for mode   98=        0.0000012481
 Unscaled step for mode   99=        0.0000033102
 Unscaled step for mode  100=       -0.0000024513
 Unscaled step for mode  101=        0.0000007559
 Unscaled step for mode  102=        0.0000036204
 Unscaled step for mode  103=        0.0000012169
 Unscaled step for mode  104=        0.0000040090
 Unscaled step for mode  105=        0.0000027842
 Unscaled step for mode  106=        0.0000015314
 Unscaled step for mode  107=       -0.0000043831
 Unscaled step for mode  108=        0.0000004501
 Unscaled step for mode  109=        0.0000051631
 Unscaled step for mode  110=        0.0007825109
 Unscaled step for mode  111=       -0.0002075648
 Unscaled step for mode  112=        0.0012384488
 Unscaled step for mode  113=        0.0039011718
 Unscaled step for mode  114=       -0.1780881870
 Largest modulus ratio of non-zero e/values=           184.9637522    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.153523E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.204318E-14    0.100699E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.819532E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.216786E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.485289E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.122371E-14    0.973977E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.577372E-05    0.736507E+03  0.783932E-08 0.100000E-04    0.993791E+00
   8   -0.581691E-05    0.673985E+03  0.863062E-08 0.100000E-04    0.992379E+00
   9   -0.994935E-06    0.627569E+03  0.158538E-08 0.100000E-04    0.922568E+00
  10    0.234745E-05    0.603664E+03 -0.388866E-08 0.100000E-04    0.999061E+00
  11   -0.166062E-05    0.587786E+03  0.282521E-08 0.100000E-04    0.984939E+00
  12   -0.436000E-05    0.573561E+03  0.760164E-08 0.100000E-04    0.969564E+00
  13   -0.359886E-05    0.567087E+03  0.634622E-08 0.100000E-04    0.994956E+00
  14    0.587976E-06    0.484203E+03 -0.121432E-08 0.100000E-04    0.838366E+00
  15    0.188641E-05    0.463902E+03 -0.406639E-08 0.100000E-04    0.984889E+00
  16    0.689966E-05    0.460986E+03 -0.149672E-07 0.100000E-04    0.999968E+00
  17    0.457537E-05    0.441488E+03 -0.103635E-07 0.100000E-04    0.988893E+00
  18    0.484234E-05    0.429321E+03 -0.112791E-07 0.100000E-04    0.987782E+00
  19   -0.180130E-04    0.422001E+03  0.426848E-07 0.100000E-04    0.999340E+00
  20    0.625707E-05    0.408301E+03 -0.153247E-07 0.100000E-04    0.986795E+00
  21    0.636705E-05    0.397143E+03 -0.160322E-07 0.100000E-04    0.990268E+00
  22   -0.934577E-05    0.388730E+03  0.240418E-07 0.100000E-04    0.990732E+00
  23    0.117064E-05    0.368306E+03 -0.317844E-08 0.100000E-04    0.921842E+00
  24   -0.359484E-05    0.361331E+03  0.994887E-08 0.100000E-04    0.974752E+00
  25   -0.219611E-04    0.350478E+03  0.626605E-07 0.100000E-04    0.999980E+00
  26   -0.350035E-04    0.335435E+03  0.104352E-06 0.100000E-04    0.999244E+00
  27   -0.174170E-04    0.326624E+03  0.533242E-07 0.100000E-04    0.998988E+00
  28    0.141258E-04    0.321457E+03 -0.439430E-07 0.100000E-04    0.995487E+00
  29    0.194855E-04    0.320227E+03 -0.608491E-07 0.100000E-04    0.988504E+00
  30   -0.250221E-04    0.311592E+03  0.803041E-07 0.100000E-04    0.998249E+00
  31   -0.186273E-04    0.303289E+03  0.614177E-07 0.100000E-04    0.993729E+00
  32   -0.821173E-05    0.289053E+03  0.284091E-07 0.100000E-04    0.987352E+00
  33    0.135417E-04    0.278552E+03 -0.486146E-07 0.100000E-04    0.997297E+00
  34    0.137868E-04    0.271025E+03 -0.508692E-07 0.100000E-04    0.993979E+00
  35    0.245000E-04    0.267297E+03 -0.916585E-07 0.100000E-04    0.997707E+00
  36    0.207441E-04    0.264527E+03 -0.784197E-07 0.100000E-04    0.993099E+00
  37   -0.201419E-04    0.260383E+03  0.773550E-07 0.100000E-04    0.999417E+00
  38    0.156374E-05    0.253937E+03 -0.615797E-08 0.100000E-04    0.947554E+00
  39   -0.207861E-04    0.242051E+03  0.858751E-07 0.100000E-04    0.999555E+00
  40   -0.191265E-04    0.238879E+03  0.800680E-07 0.100000E-04    0.986806E+00
  41   -0.435266E-04    0.234477E+03  0.185632E-06 0.100000E-04    0.996129E+00
  42   -0.154510E-04    0.228271E+03  0.676871E-07 0.100000E-04    0.988304E+00
  43   -0.177177E-04    0.219163E+03  0.808425E-07 0.100000E-04    0.994095E+00
  44   -0.314159E-04    0.214135E+03  0.146711E-06 0.100000E-04    0.991530E+00
  45    0.140554E-05    0.212614E+03 -0.661076E-08 0.100000E-04    0.990760E+00
  46    0.292571E-04    0.207184E+03 -0.141213E-06 0.100000E-04    0.994952E+00
  47   -0.294962E-04    0.203571E+03  0.144894E-06 0.100000E-04    0.998680E+00
  48    0.605740E-05    0.197140E+03 -0.307264E-07 0.100000E-04    0.996408E+00
  49    0.279486E-04    0.195103E+03 -0.143250E-06 0.100000E-04    0.996230E+00
  50    0.886498E-05    0.191449E+03 -0.463046E-07 0.100000E-04    0.984595E+00
  51   -0.176072E-04    0.183802E+03  0.957945E-07 0.100000E-04    0.999411E+00
  52    0.500765E-05    0.174595E+03 -0.286815E-07 0.100000E-04    0.993734E+00
  53   -0.142333E-04    0.172101E+03  0.827034E-07 0.100000E-04    0.998420E+00
  54   -0.206988E-04    0.167618E+03  0.123487E-06 0.100000E-04    0.997673E+00
  55    0.213705E-04    0.164652E+03 -0.129792E-06 0.100000E-04    0.997399E+00
  56    0.623798E-05    0.158478E+03 -0.393618E-07 0.100000E-04    0.982113E+00
  57    0.126965E-04    0.154209E+03 -0.823333E-07 0.100000E-04    0.998275E+00
  58    0.258551E-04    0.151610E+03 -0.170537E-06 0.100000E-04    0.998178E+00
  59   -0.376867E-05    0.148230E+03  0.254245E-07 0.100000E-04    0.972335E+00
  60    0.240558E-04    0.143376E+03 -0.167781E-06 0.100000E-04    0.999103E+00
  61   -0.323321E-04    0.137263E+03  0.235549E-06 0.100000E-04    0.999195E+00
  62   -0.271349E-04    0.135914E+03  0.199647E-06 0.100000E-04    0.997822E+00
  63   -0.217381E-04    0.130593E+03  0.166457E-06 0.100000E-04    0.993398E+00
  64    0.327621E-04    0.128274E+03 -0.255408E-06 0.100000E-04    0.995823E+00
  65    0.232118E-04    0.126269E+03 -0.183829E-06 0.100000E-04    0.996802E+00
  66   -0.157474E-04    0.125391E+03  0.125586E-06 0.100000E-04    0.994544E+00
  67    0.103328E-04    0.119823E+03 -0.862334E-07 0.100000E-04    0.980491E+00
  68    0.928635E-05    0.118108E+03 -0.786257E-07 0.100000E-04    0.994116E+00
  69    0.693870E-05    0.117082E+03 -0.592637E-07 0.100000E-04    0.998257E+00
  70    0.293522E-04    0.110763E+03 -0.265001E-06 0.100000E-04    0.994955E+00
  71    0.667524E-05    0.107533E+03 -0.620762E-07 0.100000E-04    0.990427E+00
  72    0.682073E-04    0.104625E+03 -0.651924E-06 0.100000E-04    0.996400E+00
  73   -0.297206E-04    0.103087E+03  0.288307E-06 0.100000E-04    0.998883E+00
  74   -0.266701E-04    0.997255E+02  0.267435E-06 0.100000E-04    0.995927E+00
  75   -0.811156E-04    0.957678E+02  0.847003E-06 0.100000E-04    0.999512E+00
  76   -0.202887E-04    0.942893E+02  0.215175E-06 0.100000E-04    0.975569E+00
  77    0.476390E-04    0.934910E+02 -0.509557E-06 0.100000E-04    0.991096E+00
  78   -0.870724E-05    0.906852E+02  0.960161E-07 0.100000E-04    0.998945E+00
  79   -0.809327E-05    0.894654E+02  0.904625E-07 0.100000E-04    0.997434E+00
  80   -0.220869E-04    0.851289E+02  0.259452E-06 0.100000E-04    0.997494E+00
  81   -0.247216E-04    0.809001E+02  0.305581E-06 0.100000E-04    0.995656E+00
  82   -0.930620E-05    0.799176E+02  0.116447E-06 0.100000E-04    0.975436E+00
  83    0.158120E-04    0.782365E+02 -0.202105E-06 0.100000E-04    0.993793E+00
  84    0.486562E-04    0.728933E+02 -0.667499E-06 0.100000E-04    0.997870E+00
  85    0.394748E-04    0.724350E+02 -0.544969E-06 0.100000E-04    0.991348E+00
  86    0.122400E-04    0.682505E+02 -0.179340E-06 0.100000E-04    0.993344E+00
  87   -0.442435E-04    0.659902E+02  0.670456E-06 0.100000E-04    0.996828E+00
  88   -0.940122E-05    0.629682E+02  0.149301E-06 0.100000E-04    0.969309E+00
  89    0.189092E-04    0.599372E+02 -0.315484E-06 0.100000E-04    0.968110E+00
  90   -0.633229E-04    0.596000E+02  0.106247E-05 0.100000E-04    0.998536E+00
  91    0.207697E-04    0.590494E+02 -0.351734E-06 0.100000E-04    0.983235E+00
  92    0.621522E-04    0.560501E+02 -0.110887E-05 0.100000E-04    0.999414E+00
  93    0.148073E-04    0.526481E+02 -0.281251E-06 0.100000E-04    0.969872E+00
  94    0.540221E-04    0.523169E+02 -0.103259E-05 0.100000E-04    0.997318E+00
  95    0.173562E-04    0.500301E+02 -0.346916E-06 0.100000E-04    0.990922E+00
  96    0.187233E-05    0.473013E+02 -0.395831E-07 0.100000E-04    0.989208E+00
  97    0.431948E-04    0.428738E+02 -0.100749E-05 0.100000E-04    0.991698E+00
  98   -0.505632E-04    0.405123E+02  0.124810E-05 0.100000E-04    0.999360E+00
  99   -0.124514E-03    0.376154E+02  0.331019E-05 0.100000E-04    0.996358E+00
 100    0.889748E-04    0.362965E+02 -0.245133E-05 0.100000E-04    0.994249E+00
 101   -0.257326E-04    0.340406E+02  0.755938E-06 0.100000E-04    0.987464E+00
 102   -0.104257E-03    0.287969E+02  0.362042E-05 0.100000E-04    0.999402E+00
 103   -0.347941E-04    0.285924E+02  0.121690E-05 0.100000E-04    0.987095E+00
 104   -0.108703E-03    0.271145E+02  0.400904E-05 0.100000E-04    0.991533E+00
 105   -0.642537E-04    0.230778E+02  0.278423E-05 0.100000E-04    0.995037E+00
 106   -0.322899E-04    0.210850E+02  0.153142E-05 0.100000E-04    0.992516E+00
 107    0.902708E-04    0.205950E+02 -0.438314E-05 0.100000E-04    0.985918E+00
 108   -0.755321E-05    0.167826E+02  0.450061E-06 0.100000E-04    0.891280E+00
 109   -0.713127E-04    0.138121E+02  0.516305E-05 0.100000E-04    0.988175E+00
 110   -0.957767E-02    0.122397E+02  0.100000E-04 0.100000E-04    0.451341E+00
 111    0.206770E-02    0.996169E+01 -0.100000E-04 0.100000E-04    0.669623E+00
 112   -0.107325E-01    0.866609E+01  0.130019E-04 0.130019E-04    0.243646E+00
 113   -0.264753E-01    0.678641E+01  0.221055E-04 0.221055E-04    0.218480E+00
 114   -0.732356E+00    0.398190E+01 -0.400000E-03 0.400000E-03    0.978582E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1780881870    

 Beginning of optimization cycle  379.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3428745589
 potential> RMS force:                                               0.0687978568   |gradient|=.7345601011    
 Eigenvalues of the Hessian matrix:
   736.57127    673.99283    627.58139    603.65170    587.77673    573.60319 
   567.08844    484.22938    463.87878    460.97997    441.49022    429.31455 
   422.00347    408.30641    397.13776    388.72713    368.31513    361.32298 
   350.47041    335.42391    326.64006    321.45934    320.22140    311.57260 
   303.27368    289.06327    278.54761    271.03321    267.30501    264.53151 
   260.40146    253.93601    242.04638    238.89188    234.46591    228.26488 
   219.14184    214.14269    212.62110    207.18273    203.57004    197.13087 
   195.09919    191.44751    183.79228    174.58577    172.10529    167.62065 
   164.64343    158.46675    154.21390    151.61594    148.22066    143.37801 
   137.26651    135.91551    130.59191    128.27818    126.27262    125.38639 
   119.82493    118.10908    117.08290    110.75769    107.52660    104.62196 
   103.08612     99.72462     95.76717     94.27519     93.50171     90.68916 
    89.45958     85.13187     80.89970     79.91979     78.23530     72.89616 
    72.43947     68.24959     65.97894     62.96158     59.93665     59.59473 
    59.04775     56.05012     52.64582     52.31728     50.02937     47.29554 
    42.87431     40.51498     37.61924     36.29885     34.02825     28.79657 
    28.59110     27.10673     23.07984     21.07956     20.59774     16.78173 
    13.81264     12.23957      9.96314      8.66187      6.77819      3.97645 
overlap for current and previous eigenvector    109 is         0.9999997476
overlap for current and previous eigenvector    110 is         0.9999996039
overlap for current and previous eigenvector    111 is         0.9999995413
overlap for current and previous eigenvector    112 is         0.9999960799
overlap for current and previous eigenvector    113 is         0.9999962864
overlap for current and previous eigenvector    114 is         0.9999997208
J1,K1,R1,R2,RAT=   7   7   -0.5386611050E-02     2.005212425        0.9946133890    
FOB,PFOB,DIAG,PSTEP=   -0.5804820398E-05   -0.5773716922E-05     736.5712653        0.7839322665E-08
J1,K1,R1,R2,RAT=   8   8    0.1441272714E-02     1.998535741        0.9985357406    
FOB,PFOB,DIAG,PSTEP=   -0.5808527767E-05   -0.5816911620E-05     673.9928278        0.8630623705E-08
J1,K1,R1,R2,RAT=   9   9    0.5024429789E-01     1.949714807        0.9497148071    
FOB,PFOB,DIAG,PSTEP=   -0.9449441983E-06   -0.9949350326E-06     627.5813940        0.1585380616E-08
J1,K1,R1,R2,RAT=  10  10   -0.1016600226E-01     2.010206750        0.9898339977    
FOB,PFOB,DIAG,PSTEP=    0.2371309806E-05    0.2347446149E-05     603.6516981       -0.3888663498E-08
J1,K1,R1,R2,RAT=  11  11   -0.2929454109E-01     2.029327477        0.9707054589    
FOB,PFOB,DIAG,PSTEP=   -0.1709263584E-05   -0.1660617362E-05     587.7767265        0.2825205457E-08
J1,K1,R1,R2,RAT= 109 109    0.1700431296E-01     1.982920530        0.9829205298    
FOB,PFOB,DIAG,PSTEP=   -0.7010001651E-04   -0.7131268530E-04     13.81263893        0.5163051435E-05
J1,K1,R1,R2,RAT= 110 110   -0.5626582357         157.0660109        0.4373417643    
FOB,PFOB,DIAG,PSTEP=   -0.9646533361E-02   -0.9577666429E-02     12.23956710        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3402509430         41.16668144        0.6597490570    
FOB,PFOB,DIAG,PSTEP=    0.2033796783E-02    0.2067696453E-02     9.963137889       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8630889701         191.4581243        0.1369110299    
FOB,PFOB,DIAG,PSTEP=   -0.1082972316E-01   -0.1073252105E-01     8.661874854        0.1300194294E-04
J1,K1,R1,R2,RAT= 113 113   -0.8664422257         354.2588051        0.1335577743    
FOB,PFOB,DIAG,PSTEP=   -0.2660516554E-01   -0.2647534183E-01     6.778187115        0.2210552626E-04
J1,K1,R1,R2,RAT= 114 114    0.9906249825        -921.8566039        0.9375017549E-02
FOB,PFOB,DIAG,PSTEP=   -0.7339319480       -0.7323562781         3.976454201       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
     0.00002     -0.00001     -0.00001     -0.00003     -0.00000     -0.00002 
    -0.00003     -0.00003     -0.00002      0.00003      0.00002      0.00002 
    -0.00001     -0.00001     -0.00001      0.00003      0.00001      0.00007 
    -0.00003     -0.00003     -0.00008     -0.00002     -0.00005     -0.00001 
    -0.00001     -0.00002      0.00002      0.00001     -0.00002      0.00005 
     0.00004      0.00001      0.00004      0.00001     -0.00002      0.00006 
    -0.00002     -0.00006     -0.00001     -0.00005     -0.00002      0.00000 
    -0.00004     -0.00005      0.00013      0.00009      0.00003      0.00010 
     0.00003      0.00011      0.00007     -0.00003     -0.00009     -0.00001 
    -0.00007     -0.00965      0.00203     -0.01083     -0.02661     -0.73393 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4172847855
 Log product of positive Hessian eigenvalues =          519.6213760907
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9764542010
 Unscaled step for mode    7=        0.0000000079
 Unscaled step for mode    8=        0.0000000086
 Unscaled step for mode    9=        0.0000000015
 Unscaled step for mode   10=       -0.0000000039
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000075
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000012
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000151
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000429
 Unscaled step for mode   20=       -0.0000000154
 Unscaled step for mode   21=       -0.0000000161
 Unscaled step for mode   22=        0.0000000240
 Unscaled step for mode   23=       -0.0000000030
 Unscaled step for mode   24=        0.0000000099
 Unscaled step for mode   25=        0.0000000629
 Unscaled step for mode   26=        0.0000001045
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000439
 Unscaled step for mode   29=       -0.0000000615
 Unscaled step for mode   30=        0.0000000800
 Unscaled step for mode   31=        0.0000000616
 Unscaled step for mode   32=        0.0000000283
 Unscaled step for mode   33=       -0.0000000487
 Unscaled step for mode   34=       -0.0000000511
 Unscaled step for mode   35=       -0.0000000915
 Unscaled step for mode   36=       -0.0000000782
 Unscaled step for mode   37=        0.0000000776
 Unscaled step for mode   38=       -0.0000000063
 Unscaled step for mode   39=        0.0000000861
 Unscaled step for mode   40=        0.0000000803
 Unscaled step for mode   41=        0.0000001857
 Unscaled step for mode   42=        0.0000000674
 Unscaled step for mode   43=        0.0000000810
 Unscaled step for mode   44=        0.0000001466
 Unscaled step for mode   45=       -0.0000000069
 Unscaled step for mode   46=       -0.0000001415
 Unscaled step for mode   47=        0.0000001443
 Unscaled step for mode   48=       -0.0000000312
 Unscaled step for mode   49=       -0.0000001433
 Unscaled step for mode   50=       -0.0000000471
 Unscaled step for mode   51=        0.0000000961
 Unscaled step for mode   52=       -0.0000000290
 Unscaled step for mode   53=        0.0000000833
 Unscaled step for mode   54=        0.0000001241
 Unscaled step for mode   55=       -0.0000001297
 Unscaled step for mode   56=        0.0000000385
 Unscaled step for mode   57=        0.0000000834
 Unscaled step for mode   58=        0.0000001707
 Unscaled step for mode   59=        0.0000000254
 Unscaled step for mode   60=        0.0000001685
 Unscaled step for mode   61=        0.0000002375
 Unscaled step for mode   62=        0.0000001991
 Unscaled step for mode   63=        0.0000001672
 Unscaled step for mode   64=       -0.0000002567
 Unscaled step for mode   65=       -0.0000001857
 Unscaled step for mode   66=       -0.0000001247
 Unscaled step for mode   67=        0.0000000855
 Unscaled step for mode   68=        0.0000000792
 Unscaled step for mode   69=        0.0000000599
 Unscaled step for mode   70=       -0.0000002646
 Unscaled step for mode   71=       -0.0000000617
 Unscaled step for mode   72=       -0.0000006540
 Unscaled step for mode   73=        0.0000002893
 Unscaled step for mode   74=        0.0000002676
 Unscaled step for mode   75=        0.0000008490
 Unscaled step for mode   76=        0.0000002201
 Unscaled step for mode   77=        0.0000005076
 Unscaled step for mode   78=        0.0000000993
 Unscaled step for mode   79=        0.0000000900
 Unscaled step for mode   80=        0.0000002601
 Unscaled step for mode   81=       -0.0000003056
 Unscaled step for mode   82=       -0.0000001171
 Unscaled step for mode   83=        0.0000002034
 Unscaled step for mode   84=       -0.0000006720
 Unscaled step for mode   85=       -0.0000005463
 Unscaled step for mode   86=       -0.0000001836
 Unscaled step for mode   87=       -0.0000006747
 Unscaled step for mode   88=       -0.0000001469
 Unscaled step for mode   89=        0.0000003038
 Unscaled step for mode   90=       -0.0000010705
 Unscaled step for mode   91=        0.0000003648
 Unscaled step for mode   92=        0.0000011092
 Unscaled step for mode   93=        0.0000002765
 Unscaled step for mode   94=        0.0000010346
 Unscaled step for mode   95=        0.0000003453
 Unscaled step for mode   96=       -0.0000000328
 Unscaled step for mode   97=        0.0000010200
 Unscaled step for mode   98=        0.0000012572
 Unscaled step for mode   99=       -0.0000033240
 Unscaled step for mode  100=       -0.0000024572
 Unscaled step for mode  101=       -0.0000007764
 Unscaled step for mode  102=       -0.0000036324
 Unscaled step for mode  103=       -0.0000012190
 Unscaled step for mode  104=       -0.0000040095
 Unscaled step for mode  105=       -0.0000028186
 Unscaled step for mode  106=        0.0000016331
 Unscaled step for mode  107=        0.0000043886
 Unscaled step for mode  108=        0.0000005509
 Unscaled step for mode  109=        0.0000050751
 Unscaled step for mode  110=        0.0007881429
 Unscaled step for mode  111=       -0.0002041321
 Unscaled step for mode  112=        0.0012502728
 Unscaled step for mode  113=        0.0039250548
 Unscaled step for mode  114=       -0.1786769807
 Largest modulus ratio of non-zero e/values=           185.2331822    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.215539E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.128207E-14    0.100698E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.970632E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.211159E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.159487E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.313714E-15    0.973979E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.580482E-05    0.736571E+03  0.788087E-08 0.100000E-04    0.994613E+00
   8   -0.580853E-05    0.673993E+03  0.861809E-08 0.100000E-04    0.998536E+00
   9   -0.944944E-06    0.627581E+03  0.150569E-08 0.100000E-04    0.949715E+00
  10    0.237131E-05    0.603652E+03 -0.392827E-08 0.100000E-04    0.989834E+00
  11   -0.170926E-05    0.587777E+03  0.290802E-08 0.100000E-04    0.970705E+00
  12   -0.429765E-05    0.573603E+03  0.749237E-08 0.100000E-04    0.985551E+00
  13   -0.362322E-05    0.567088E+03  0.638917E-08 0.100000E-04    0.993231E+00
  14    0.588656E-06    0.484229E+03 -0.121566E-08 0.100000E-04    0.998843E+00
  15    0.193166E-05    0.463879E+03 -0.416416E-08 0.100000E-04    0.976009E+00
  16    0.693988E-05    0.460980E+03 -0.150546E-07 0.100000E-04    0.994170E+00
  17    0.464283E-05    0.441490E+03 -0.105163E-07 0.100000E-04    0.985255E+00
  18    0.491456E-05    0.429315E+03 -0.114475E-07 0.100000E-04    0.985085E+00
  19   -0.180841E-04    0.422003E+03  0.428531E-07 0.100000E-04    0.996051E+00
  20    0.630124E-05    0.408306E+03 -0.154326E-07 0.100000E-04    0.992941E+00
  21    0.640405E-05    0.397138E+03 -0.161255E-07 0.100000E-04    0.994190E+00
  22   -0.932968E-05    0.388727E+03  0.240006E-07 0.100000E-04    0.998278E+00
  23    0.108676E-05    0.368315E+03 -0.295062E-08 0.100000E-04    0.928300E+00
  24   -0.357447E-05    0.361323E+03  0.989274E-08 0.100000E-04    0.994336E+00
  25   -0.220569E-04    0.350470E+03  0.629352E-07 0.100000E-04    0.995638E+00
  26   -0.350641E-04    0.335424E+03  0.104537E-06 0.100000E-04    0.998268E+00
  27   -0.174721E-04    0.326640E+03  0.534902E-07 0.100000E-04    0.996838E+00
  28    0.141258E-04    0.321459E+03 -0.439428E-07 0.100000E-04    0.999988E+00
  29    0.197035E-04    0.320221E+03 -0.615309E-07 0.100000E-04    0.988812E+00
  30   -0.249314E-04    0.311573E+03  0.800179E-07 0.100000E-04    0.996374E+00
  31   -0.186722E-04    0.303274E+03  0.615690E-07 0.100000E-04    0.997587E+00
  32   -0.817122E-05    0.289063E+03  0.282679E-07 0.100000E-04    0.994997E+00
  33    0.135784E-04    0.278548E+03 -0.487470E-07 0.100000E-04    0.997292E+00
  34    0.138568E-04    0.271033E+03 -0.511258E-07 0.100000E-04    0.994926E+00
  35    0.244476E-04    0.267305E+03 -0.914595E-07 0.100000E-04    0.997799E+00
  36    0.206906E-04    0.264532E+03 -0.782160E-07 0.100000E-04    0.997383E+00
  37   -0.202119E-04    0.260401E+03  0.776181E-07 0.100000E-04    0.996528E+00
  38    0.159666E-05    0.253936E+03 -0.628766E-08 0.100000E-04    0.978944E+00
  39   -0.208469E-04    0.242046E+03  0.861277E-07 0.100000E-04    0.997078E+00
  40   -0.191927E-04    0.238892E+03  0.803405E-07 0.100000E-04    0.996541E+00
  41   -0.435311E-04    0.234466E+03  0.185661E-06 0.100000E-04    0.999895E+00
  42   -0.153941E-04    0.228265E+03  0.674398E-07 0.100000E-04    0.996320E+00
  43   -0.177419E-04    0.219142E+03  0.809609E-07 0.100000E-04    0.998630E+00
  44   -0.313998E-04    0.214143E+03  0.146630E-06 0.100000E-04    0.999418E+00
  45    0.146658E-05    0.212621E+03 -0.689761E-08 0.100000E-04    0.956577E+00
  46    0.293083E-04    0.207183E+03 -0.141461E-06 0.100000E-04    0.998253E+00
  47   -0.293813E-04    0.203570E+03  0.144330E-06 0.100000E-04    0.996105E+00
  48    0.614614E-05    0.197131E+03 -0.311779E-07 0.100000E-04    0.985349E+00
  49    0.279619E-04    0.195099E+03 -0.143321E-06 0.100000E-04    0.999522E+00
  50    0.902539E-05    0.191448E+03 -0.471429E-07 0.100000E-04    0.981905E+00
  51   -0.176597E-04    0.183792E+03  0.960853E-07 0.100000E-04    0.997017E+00
  52    0.506371E-05    0.174586E+03 -0.290042E-07 0.100000E-04    0.988804E+00
  53   -0.143304E-04    0.172105E+03  0.832651E-07 0.100000E-04    0.993181E+00
  54   -0.207945E-04    0.167621E+03  0.124057E-06 0.100000E-04    0.995373E+00
  55    0.213550E-04    0.164643E+03 -0.129705E-06 0.100000E-04    0.999276E+00
  56   -0.610814E-05    0.158467E+03  0.385452E-07 0.100000E-04    0.979184E+00
  57   -0.128589E-04    0.154214E+03  0.833833E-07 0.100000E-04    0.987215E+00
  58   -0.258735E-04    0.151616E+03  0.170651E-06 0.100000E-04    0.999290E+00
  59   -0.375855E-05    0.148221E+03  0.253578E-07 0.100000E-04    0.997315E+00
  60   -0.241634E-04    0.143378E+03  0.168529E-06 0.100000E-04    0.995528E+00
  61   -0.325949E-04    0.137267E+03  0.237457E-06 0.100000E-04    0.991872E+00
  62   -0.270586E-04    0.135916E+03  0.199084E-06 0.100000E-04    0.997172E+00
  63   -0.218407E-04    0.130592E+03  0.167244E-06 0.100000E-04    0.995280E+00
  64    0.329260E-04    0.128278E+03 -0.256676E-06 0.100000E-04    0.994999E+00
  65    0.234545E-04    0.126273E+03 -0.185745E-06 0.100000E-04    0.989544E+00
  66    0.156330E-04    0.125386E+03 -0.124679E-06 0.100000E-04    0.992735E+00
  67   -0.102394E-04    0.119825E+03  0.854527E-07 0.100000E-04    0.990933E+00
  68   -0.935156E-05    0.118109E+03  0.791774E-07 0.100000E-04    0.992978E+00
  69   -0.701745E-05    0.117083E+03  0.599357E-07 0.100000E-04    0.988652E+00
  70    0.293039E-04    0.110758E+03 -0.264577E-06 0.100000E-04    0.998355E+00
  71    0.663026E-05    0.107527E+03 -0.616615E-07 0.100000E-04    0.993260E+00
  72    0.684176E-04    0.104622E+03 -0.653950E-06 0.100000E-04    0.996917E+00
  73   -0.298244E-04    0.103086E+03  0.289315E-06 0.100000E-04    0.996508E+00
  74   -0.266826E-04    0.997246E+02  0.267563E-06 0.100000E-04    0.999531E+00
  75   -0.813096E-04    0.957672E+02  0.849034E-06 0.100000E-04    0.997608E+00
  76   -0.207533E-04    0.942752E+02  0.220135E-06 0.100000E-04    0.977099E+00
  77   -0.474651E-04    0.935017E+02  0.507639E-06 0.100000E-04    0.996121E+00
  78   -0.900259E-05    0.906892E+02  0.992687E-07 0.100000E-04    0.966082E+00
  79   -0.805418E-05    0.894596E+02  0.900315E-07 0.100000E-04    0.995169E+00
  80   -0.221431E-04    0.851319E+02  0.260103E-06 0.100000E-04    0.997454E+00
  81    0.247201E-04    0.808997E+02 -0.305564E-06 0.100000E-04    0.999940E+00
  82    0.935632E-05    0.799198E+02 -0.117071E-06 0.100000E-04    0.994614E+00
  83   -0.159151E-04    0.782353E+02  0.203426E-06 0.100000E-04    0.993476E+00
  84    0.489890E-04    0.728962E+02 -0.672038E-06 0.100000E-04    0.993160E+00
  85    0.395725E-04    0.724395E+02 -0.546284E-06 0.100000E-04    0.997526E+00
  86    0.125307E-04    0.682496E+02 -0.183601E-06 0.100000E-04    0.976251E+00
  87    0.445175E-04    0.659789E+02 -0.674722E-06 0.100000E-04    0.993807E+00
  88    0.925094E-05    0.629616E+02 -0.146930E-06 0.100000E-04    0.984013E+00
  89   -0.182091E-04    0.599366E+02  0.303805E-06 0.100000E-04    0.962973E+00
  90    0.637985E-04    0.595947E+02 -0.107054E-05 0.100000E-04    0.992489E+00
  91   -0.215417E-04    0.590478E+02  0.364819E-06 0.100000E-04    0.962827E+00
  92   -0.621693E-04    0.560501E+02  0.110917E-05 0.100000E-04    0.999726E+00
  93   -0.145575E-04    0.526458E+02  0.276519E-06 0.100000E-04    0.983131E+00
  94   -0.541258E-04    0.523173E+02  0.103457E-05 0.100000E-04    0.998080E+00
  95   -0.172736E-04    0.500294E+02  0.345270E-06 0.100000E-04    0.995239E+00
  96    0.155067E-05    0.472955E+02 -0.327868E-07 0.100000E-04    0.828181E+00
  97   -0.437323E-04    0.428743E+02  0.102001E-05 0.100000E-04    0.987557E+00
  98   -0.509338E-04    0.405150E+02  0.125716E-05 0.100000E-04    0.992671E+00
  99    0.125046E-03    0.376192E+02 -0.332400E-05 0.100000E-04    0.995726E+00
 100    0.891950E-04    0.362989E+02 -0.245724E-05 0.100000E-04    0.997526E+00
 101    0.264186E-04    0.340282E+02 -0.776373E-06 0.100000E-04    0.973330E+00
 102    0.104602E-03    0.287966E+02 -0.363244E-05 0.100000E-04    0.996690E+00
 103    0.348536E-04    0.285911E+02 -0.121904E-05 0.100000E-04    0.998289E+00
 104    0.108685E-03    0.271067E+02 -0.400950E-05 0.100000E-04    0.999828E+00
 105    0.650524E-04    0.230798E+02 -0.281858E-05 0.100000E-04    0.987572E+00
 106   -0.344260E-04    0.210796E+02  0.163315E-05 0.100000E-04    0.933830E+00
 107   -0.903946E-04    0.205977E+02  0.438857E-05 0.100000E-04    0.998629E+00
 108   -0.924546E-05    0.167817E+02  0.550924E-06 0.100000E-04    0.775944E+00
 109   -0.701000E-04    0.138126E+02  0.507506E-05 0.100000E-04    0.982921E+00
 110   -0.964653E-02    0.122396E+02  0.100000E-04 0.100000E-04    0.437342E+00
 111    0.203380E-02    0.996314E+01 -0.100000E-04 0.100000E-04    0.659749E+00
 112   -0.108297E-01    0.866187E+01  0.141721E-04 0.141721E-04    0.136911E+00
 113   -0.266052E-01    0.677819E+01  0.240950E-04 0.240950E-04    0.133558E+00
 114   -0.733932E+00    0.397645E+01 -0.400000E-03 0.400000E-03    0.937502E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1786769807    

 Beginning of optimization cycle  380.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3425815771
 potential> RMS force:                                               0.0689456888   |gradient|=.7361385150    
 Eigenvalues of the Hessian matrix:
   736.63552    674.00043    627.59445    603.63916    587.76701    573.64582 
   567.08931    484.25596    463.85544    460.97384    441.49269    429.30783 
   422.00600    408.31199    397.13266    388.72389    368.32445    361.31482 
   350.46282    335.41266    326.65589    321.46161    320.21556    311.55326 
   303.25834    289.07343    278.54346    271.04113    267.31301    264.53635 
   260.42004    253.93522    242.04184    238.90515    234.45468    228.25890 
   219.12102    214.15011    212.62789    207.18115    203.56932    197.12215 
   195.09550    191.44579    183.78269    174.57670    172.10992    167.62292 
   164.63473    158.45538    154.21897    151.62183    148.21109    143.38007 
   137.27032    135.91668    130.59042    128.28275    126.27659    125.38131 
   119.82655    118.10981    117.08387    110.75259    107.52025    104.61931 
   103.08555     99.72371     95.76660     94.26098     93.51239     90.69310 
    89.45371     85.13486     80.89931     79.92201     78.23413     72.89902 
    72.44389     68.24869     65.96766     62.95489     59.93623     59.58946 
    59.04602     56.05012     52.64358     52.31756     50.02872     47.28973 
    42.87489     40.51769     37.62306     36.30121     34.01584     28.79628 
    28.58979     27.09896     23.08193     21.07418     20.60038     16.78079 
    13.81317     12.23949      9.96457      8.65787      6.76997      3.97099 
overlap for current and previous eigenvector    109 is         0.9999997522
overlap for current and previous eigenvector    110 is         0.9999996069
overlap for current and previous eigenvector    111 is         0.9999995524
overlap for current and previous eigenvector    112 is         0.9999962648
overlap for current and previous eigenvector    113 is         0.9999964502
overlap for current and previous eigenvector    114 is         0.9999997110
J1,K1,R1,R2,RAT=   7   7   -0.6160111545E-02     2.005985644        0.9938398885    
FOB,PFOB,DIAG,PSTEP=   -0.5840581859E-05   -0.5804820398E-05     736.6355248        0.7880867299E-08
J1,K1,R1,R2,RAT=   8   8   -0.7498883469E-02     2.007476328        0.9925011165    
FOB,PFOB,DIAG,PSTEP=   -0.5852085731E-05   -0.5808527767E-05     674.0004290        0.8618085428E-08
J1,K1,R1,R2,RAT=   9   9   -0.7518477733E-01     2.075143179        0.9248152227    
FOB,PFOB,DIAG,PSTEP=   -0.1015991095E-05   -0.9449441983E-06     627.5944473        0.1505691863E-08
J1,K1,R1,R2,RAT=  10  10    0.6893951263E-03     1.999352141        0.9993106049    
FOB,PFOB,DIAG,PSTEP=    0.2369675071E-05    0.2371309806E-05     603.6391618       -0.3928274887E-08
J1,K1,R1,R2,RAT=  11  11    0.1438227876E-01     1.985650782        0.9856177212    
FOB,PFOB,DIAG,PSTEP=   -0.1684680885E-05   -0.1709263584E-05     587.7670105        0.2908015080E-08
J1,K1,R1,R2,RAT= 109 109   -0.1163287412E-01     2.011556407        0.9883671259    
FOB,PFOB,DIAG,PSTEP=   -0.7091551235E-04   -0.7010001651E-04     13.81316706        0.5075063272E-05
J1,K1,R1,R2,RAT= 110 110   -0.5523819205         158.1820720        0.4476180795    
FOB,PFOB,DIAG,PSTEP=   -0.9714142079E-02   -0.9646533361E-02     12.23948782        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3354074069         40.48514412        0.6645925931    
FOB,PFOB,DIAG,PSTEP=    0.2000374867E-02    0.2033796783E-02     9.964572778       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7819229068         177.3051200        0.2180770932    
FOB,PFOB,DIAG,PSTEP=   -0.1092566533E-01   -0.1082972316E-01     8.657865057        0.1417211781E-04
J1,K1,R1,R2,RAT= 113 113   -0.8072160662         327.0058041        0.1927839338    
FOB,PFOB,DIAG,PSTEP=   -0.2673684065E-01   -0.2660516554E-01     6.769966629        0.2409502362E-04
J1,K1,R1,R2,RAT= 114 114    0.9901618881        -925.1067061        0.9838111859E-02
FOB,PFOB,DIAG,PSTEP=   -0.7355047181       -0.7339319480         3.970992363       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
     0.00002     -0.00001     -0.00001     -0.00003     -0.00000     -0.00002 
     0.00003      0.00003     -0.00002      0.00003      0.00002      0.00002 
     0.00001     -0.00001     -0.00001      0.00003      0.00001      0.00007 
    -0.00003     -0.00003     -0.00008     -0.00002     -0.00005     -0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001     -0.00002      0.00005 
     0.00004      0.00001     -0.00004      0.00001      0.00002      0.00006 
    -0.00002     -0.00006     -0.00001     -0.00005      0.00002      0.00000 
    -0.00004     -0.00005      0.00012      0.00009      0.00003      0.00010 
     0.00004      0.00011      0.00006     -0.00003     -0.00009     -0.00001 
    -0.00007     -0.00971      0.00200     -0.01093     -0.02674     -0.73550 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4170857688
 Log product of positive Hessian eigenvalues =          519.6172323150
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9709923632
 Unscaled step for mode    7=        0.0000000079
 Unscaled step for mode    8=        0.0000000087
 Unscaled step for mode    9=        0.0000000016
 Unscaled step for mode   10=       -0.0000000039
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000077
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000014
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000151
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000429
 Unscaled step for mode   20=       -0.0000000152
 Unscaled step for mode   21=       -0.0000000160
 Unscaled step for mode   22=        0.0000000242
 Unscaled step for mode   23=       -0.0000000032
 Unscaled step for mode   24=        0.0000000101
 Unscaled step for mode   25=        0.0000000629
 Unscaled step for mode   26=        0.0000001046
 Unscaled step for mode   27=        0.0000000534
 Unscaled step for mode   28=       -0.0000000437
 Unscaled step for mode   29=       -0.0000000622
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000620
 Unscaled step for mode   32=        0.0000000286
 Unscaled step for mode   33=       -0.0000000489
 Unscaled step for mode   34=       -0.0000000514
 Unscaled step for mode   35=       -0.0000000917
 Unscaled step for mode   36=       -0.0000000787
 Unscaled step for mode   37=        0.0000000777
 Unscaled step for mode   38=       -0.0000000066
 Unscaled step for mode   39=        0.0000000862
 Unscaled step for mode   40=        0.0000000814
 Unscaled step for mode   41=        0.0000001864
 Unscaled step for mode   42=        0.0000000682
 Unscaled step for mode   43=        0.0000000814
 Unscaled step for mode   44=        0.0000001478
 Unscaled step for mode   45=       -0.0000000070
 Unscaled step for mode   46=       -0.0000001422
 Unscaled step for mode   47=        0.0000001445
 Unscaled step for mode   48=       -0.0000000311
 Unscaled step for mode   49=       -0.0000001439
 Unscaled step for mode   50=       -0.0000000464
 Unscaled step for mode   51=        0.0000000961
 Unscaled step for mode   52=       -0.0000000292
 Unscaled step for mode   53=        0.0000000831
 Unscaled step for mode   54=        0.0000001243
 Unscaled step for mode   55=       -0.0000001300
 Unscaled step for mode   56=        0.0000000392
 Unscaled step for mode   57=        0.0000000833
 Unscaled step for mode   58=        0.0000001709
 Unscaled step for mode   59=        0.0000000260
 Unscaled step for mode   60=        0.0000001684
 Unscaled step for mode   61=       -0.0000002373
 Unscaled step for mode   62=       -0.0000001987
 Unscaled step for mode   63=        0.0000001661
 Unscaled step for mode   64=       -0.0000002577
 Unscaled step for mode   65=       -0.0000001852
 Unscaled step for mode   66=       -0.0000001240
 Unscaled step for mode   67=       -0.0000000871
 Unscaled step for mode   68=        0.0000000787
 Unscaled step for mode   69=        0.0000000598
 Unscaled step for mode   70=       -0.0000002659
 Unscaled step for mode   71=       -0.0000000622
 Unscaled step for mode   72=       -0.0000006563
 Unscaled step for mode   73=        0.0000002890
 Unscaled step for mode   74=        0.0000002665
 Unscaled step for mode   75=        0.0000008494
 Unscaled step for mode   76=        0.0000002252
 Unscaled step for mode   77=        0.0000005031
 Unscaled step for mode   78=        0.0000000994
 Unscaled step for mode   79=        0.0000000898
 Unscaled step for mode   80=        0.0000002595
 Unscaled step for mode   81=        0.0000003069
 Unscaled step for mode   82=        0.0000001198
 Unscaled step for mode   83=        0.0000002022
 Unscaled step for mode   84=       -0.0000006735
 Unscaled step for mode   85=       -0.0000005415
 Unscaled step for mode   86=       -0.0000001848
 Unscaled step for mode   87=        0.0000006728
 Unscaled step for mode   88=       -0.0000001514
 Unscaled step for mode   89=       -0.0000002943
 Unscaled step for mode   90=       -0.0000010685
 Unscaled step for mode   91=        0.0000003710
 Unscaled step for mode   92=        0.0000011085
 Unscaled step for mode   93=        0.0000002677
 Unscaled step for mode   94=        0.0000010373
 Unscaled step for mode   95=       -0.0000003421
 Unscaled step for mode   96=       -0.0000000322
 Unscaled step for mode   97=        0.0000010117
 Unscaled step for mode   98=        0.0000012565
 Unscaled step for mode   99=       -0.0000033124
 Unscaled step for mode  100=       -0.0000024435
 Unscaled step for mode  101=       -0.0000007672
 Unscaled step for mode  102=       -0.0000036305
 Unscaled step for mode  103=       -0.0000012344
 Unscaled step for mode  104=       -0.0000040443
 Unscaled step for mode  105=       -0.0000028054
 Unscaled step for mode  106=        0.0000016249
 Unscaled step for mode  107=        0.0000043261
 Unscaled step for mode  108=        0.0000004971
 Unscaled step for mode  109=        0.0000051339
 Unscaled step for mode  110=        0.0007936718
 Unscaled step for mode  111=       -0.0002007487
 Unscaled step for mode  112=        0.0012619333
 Unscaled step for mode  113=        0.0039492696
 Unscaled step for mode  114=       -0.1792670395
 Largest modulus ratio of non-zero e/values=           185.5041404    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.137043E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.127372E-14    0.100698E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.100486E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.111521E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.291000E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.405031E-15    0.973980E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.584058E-05    0.736636E+03  0.792873E-08 0.100000E-04    0.993840E+00
   8   -0.585209E-05    0.674000E+03  0.868261E-08 0.100000E-04    0.992501E+00
   9   -0.101599E-05    0.627594E+03  0.161887E-08 0.100000E-04    0.924815E+00
  10    0.236968E-05    0.603639E+03 -0.392565E-08 0.100000E-04    0.999311E+00
  11   -0.168468E-05    0.587767E+03  0.286624E-08 0.100000E-04    0.985618E+00
  12   -0.442516E-05    0.573646E+03  0.771409E-08 0.100000E-04    0.970333E+00
  13   -0.360510E-05    0.567089E+03  0.635719E-08 0.100000E-04    0.994994E+00
  14    0.670010E-06    0.484256E+03 -0.138359E-08 0.100000E-04    0.861805E+00
  15    0.190326E-05    0.463855E+03 -0.410314E-08 0.100000E-04    0.985297E+00
  16    0.693976E-05    0.460974E+03 -0.150546E-07 0.100000E-04    0.999983E+00
  17    0.459227E-05    0.441493E+03 -0.104017E-07 0.100000E-04    0.989098E+00
  18    0.485555E-05    0.429308E+03 -0.113102E-07 0.100000E-04    0.987992E+00
  19   -0.180965E-04    0.422006E+03  0.428820E-07 0.100000E-04    0.999319E+00
  20    0.621850E-05    0.408312E+03 -0.152298E-07 0.100000E-04    0.986842E+00
  21    0.634178E-05    0.397133E+03 -0.159689E-07 0.100000E-04    0.990278E+00
  22   -0.941471E-05    0.388724E+03  0.242195E-07 0.100000E-04    0.990886E+00
  23    0.117021E-05    0.368324E+03 -0.317711E-08 0.100000E-04    0.923216E+00
  24   -0.366243E-05    0.361315E+03  0.101364E-07 0.100000E-04    0.975393E+00
  25   -0.220568E-04    0.350463E+03  0.629363E-07 0.100000E-04    0.999996E+00
  26   -0.350899E-04    0.335413E+03  0.104617E-06 0.100000E-04    0.999263E+00
  27   -0.174558E-04    0.326656E+03  0.534379E-07 0.100000E-04    0.998973E+00
  28    0.140603E-04    0.321462E+03 -0.437388E-07 0.100000E-04    0.995350E+00
  29    0.199235E-04    0.320216E+03 -0.622189E-07 0.100000E-04    0.988838E+00
  30   -0.249726E-04    0.311553E+03  0.801551E-07 0.100000E-04    0.998348E+00
  31   -0.187873E-04    0.303258E+03  0.619516E-07 0.100000E-04    0.993836E+00
  32   -0.827298E-05    0.289073E+03  0.286190E-07 0.100000E-04    0.987548E+00
  33    0.136150E-04    0.278543E+03 -0.488793E-07 0.100000E-04    0.997300E+00
  34    0.139395E-04    0.271041E+03 -0.514296E-07 0.100000E-04    0.994029E+00
  35    0.245027E-04    0.267313E+03 -0.916629E-07 0.100000E-04    0.997746E+00
  36    0.208304E-04    0.264536E+03 -0.787429E-07 0.100000E-04    0.993245E+00
  37   -0.202230E-04    0.260420E+03  0.776552E-07 0.100000E-04    0.999451E+00
  38    0.167456E-05    0.253935E+03 -0.659444E-08 0.100000E-04    0.951212E+00
  39   -0.208559E-04    0.242042E+03  0.861665E-07 0.100000E-04    0.999568E+00
  40   -0.194403E-04    0.238905E+03  0.813725E-07 0.100000E-04    0.987100E+00
  41   -0.436961E-04    0.234455E+03  0.186373E-06 0.100000E-04    0.996211E+00
  42   -0.155711E-04    0.228259E+03  0.682168E-07 0.100000E-04    0.988505E+00
  43   -0.178439E-04    0.219121E+03  0.814340E-07 0.100000E-04    0.994251E+00
  44   -0.316619E-04    0.214150E+03  0.147849E-06 0.100000E-04    0.991652E+00
  45    0.148200E-05    0.212628E+03 -0.696991E-08 0.100000E-04    0.989486E+00
  46    0.294540E-04    0.207181E+03 -0.142165E-06 0.100000E-04    0.995028E+00
  47   -0.294173E-04    0.203569E+03  0.144508E-06 0.100000E-04    0.998776E+00
  48    0.612474E-05    0.197122E+03 -0.310708E-07 0.100000E-04    0.996519E+00
  49    0.280653E-04    0.195095E+03 -0.143854E-06 0.100000E-04    0.996303E+00
  50    0.888927E-05    0.191446E+03 -0.464323E-07 0.100000E-04    0.984917E+00
  51   -0.176693E-04    0.183783E+03  0.961424E-07 0.100000E-04    0.999458E+00
  52    0.509524E-05    0.174577E+03 -0.291862E-07 0.100000E-04    0.993774E+00
  53   -0.143092E-04    0.172110E+03  0.831400E-07 0.100000E-04    0.998470E+00
  54   -0.208421E-04    0.167623E+03  0.124339E-06 0.100000E-04    0.997714E+00
  55    0.214102E-04    0.164635E+03 -0.130047E-06 0.100000E-04    0.997415E+00
  56   -0.621658E-05    0.158455E+03  0.392324E-07 0.100000E-04    0.982245E+00
  57   -0.128392E-04    0.154219E+03  0.832531E-07 0.100000E-04    0.998406E+00
  58   -0.259197E-04    0.151622E+03  0.170950E-06 0.100000E-04    0.998213E+00
  59   -0.385948E-05    0.148211E+03  0.260404E-07 0.100000E-04    0.973145E+00
  60   -0.241425E-04    0.143380E+03  0.168381E-06 0.100000E-04    0.999109E+00
  61    0.325711E-04    0.137270E+03 -0.237277E-06 0.100000E-04    0.999214E+00
  62    0.270006E-04    0.135917E+03 -0.198655E-06 0.100000E-04    0.997837E+00
  63   -0.216970E-04    0.130590E+03  0.166145E-06 0.100000E-04    0.993417E+00
  64    0.330624E-04    0.128283E+03 -0.257730E-06 0.100000E-04    0.995858E+00
  65    0.233806E-04    0.126277E+03 -0.185154E-06 0.100000E-04    0.996787E+00
  66    0.155480E-04    0.125381E+03 -0.124006E-06 0.100000E-04    0.994565E+00
  67    0.104350E-04    0.119827E+03 -0.870842E-07 0.100000E-04    0.980893E+00
  68   -0.929724E-05    0.118110E+03  0.787169E-07 0.100000E-04    0.994178E+00
  69   -0.700610E-05    0.117084E+03  0.598383E-07 0.100000E-04    0.998367E+00
  70    0.294478E-04    0.110753E+03 -0.265888E-06 0.100000E-04    0.995089E+00
  71    0.669248E-05    0.107520E+03 -0.622439E-07 0.100000E-04    0.990614E+00
  72    0.686620E-04    0.104619E+03 -0.656303E-06 0.100000E-04    0.996427E+00
  73   -0.297904E-04    0.103086E+03  0.288987E-06 0.100000E-04    0.998860E+00
  74   -0.265740E-04    0.997237E+02  0.266476E-06 0.100000E-04    0.995928E+00
  75   -0.813453E-04    0.957666E+02  0.849412E-06 0.100000E-04    0.999560E+00
  76   -0.212294E-04    0.942610E+02  0.225219E-06 0.100000E-04    0.977056E+00
  77   -0.470440E-04    0.935124E+02  0.503077E-06 0.100000E-04    0.990899E+00
  78   -0.901178E-05    0.906931E+02  0.993656E-07 0.100000E-04    0.998980E+00
  79   -0.803378E-05    0.894537E+02  0.898093E-07 0.100000E-04    0.997467E+00
  80   -0.220887E-04    0.851349E+02  0.259456E-06 0.100000E-04    0.997474E+00
  81   -0.248264E-04    0.808993E+02  0.306880E-06 0.100000E-04    0.995699E+00
  82   -0.957733E-05    0.799220E+02  0.119833E-06 0.100000E-04    0.976380E+00
  83   -0.158159E-04    0.782341E+02  0.202162E-06 0.100000E-04    0.993768E+00
  84    0.490952E-04    0.728990E+02 -0.673468E-06 0.100000E-04    0.997833E+00
  85    0.392307E-04    0.724439E+02 -0.541533E-06 0.100000E-04    0.991242E+00
  86    0.126110E-04    0.682487E+02 -0.184780E-06 0.100000E-04    0.993596E+00
  87   -0.443817E-04    0.659677E+02  0.672779E-06 0.100000E-04    0.996949E+00
  88    0.952902E-05    0.629549E+02 -0.151363E-06 0.100000E-04    0.969937E+00
  89    0.176401E-04    0.599362E+02 -0.294314E-06 0.100000E-04    0.968752E+00
  90    0.636709E-04    0.595895E+02 -0.106849E-05 0.100000E-04    0.998000E+00
  91   -0.219036E-04    0.590460E+02  0.370957E-06 0.100000E-04    0.983203E+00
  92   -0.621320E-04    0.560501E+02  0.110851E-05 0.100000E-04    0.999401E+00
  93   -0.140908E-04    0.526436E+02  0.267664E-06 0.100000E-04    0.967936E+00
  94   -0.542668E-04    0.523176E+02  0.103726E-05 0.100000E-04    0.997395E+00
  95    0.171149E-04    0.500287E+02 -0.342101E-06 0.100000E-04    0.990811E+00
  96    0.152464E-05    0.472897E+02 -0.322404E-07 0.100000E-04    0.983210E+00
  97   -0.433786E-04    0.428749E+02  0.101175E-05 0.100000E-04    0.991886E+00
  98   -0.509087E-04    0.405177E+02  0.125646E-05 0.100000E-04    0.999373E+00
  99    0.124622E-03    0.376231E+02 -0.331237E-05 0.100000E-04    0.996401E+00
 100    0.887014E-04    0.363012E+02 -0.244348E-05 0.100000E-04    0.994336E+00
 101    0.260986E-04    0.340158E+02 -0.767247E-06 0.100000E-04    0.987881E+00
 102    0.104544E-03    0.287963E+02 -0.363047E-05 0.100000E-04    0.999447E+00
 103    0.352905E-04    0.285898E+02 -0.123437E-05 0.100000E-04    0.987467E+00
 104    0.109595E-03    0.270990E+02 -0.404426E-05 0.100000E-04    0.991619E+00
 105    0.647538E-04    0.230819E+02 -0.280539E-05 0.100000E-04    0.995231E+00
 106   -0.342424E-04    0.210742E+02  0.162485E-05 0.100000E-04    0.994665E+00
 107   -0.891199E-04    0.206004E+02  0.432613E-05 0.100000E-04    0.985644E+00
 108   -0.834198E-05    0.167808E+02  0.497114E-06 0.100000E-04    0.902273E+00
 109   -0.709155E-04    0.138132E+02  0.513391E-05 0.100000E-04    0.988367E+00
 110   -0.971414E-02    0.122395E+02  0.100000E-04 0.100000E-04    0.447618E+00
 111    0.200037E-02    0.996457E+01 -0.100000E-04 0.100000E-04    0.664593E+00
 112   -0.109257E-01    0.865787E+01  0.127677E-04 0.127677E-04    0.218077E+00
 113   -0.267368E-01    0.676997E+01  0.262636E-04 0.262636E-04    0.192784E+00
 114   -0.735505E+00    0.397099E+01 -0.400000E-03 0.400000E-03    0.983811E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1792670395    

 Beginning of optimization cycle  381.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3422880140
 potential> RMS force:                                               0.0690932805   |gradient|=.7377143621    
 Eigenvalues of the Hessian matrix:
   736.69992    674.00780    627.60751    603.62679    587.75715    573.68865 
   567.09000    484.28247    463.83210    460.96774    441.49516    429.30132 
   422.00861    408.31756    397.12757    388.72069    368.33383    361.30669 
   350.45540    335.40167    326.67182    321.46392    320.20965    311.53403 
   303.24302    289.08365    278.53937    271.04923    267.32107    264.54120 
   260.43896    253.93445    242.03741    238.91851    234.44356    228.25299 
   219.10017    214.15758    212.63471    207.17967    203.56855    197.11340 
   195.09187    191.44403    183.77314    174.56767    172.11451    167.62530 
   164.62598    158.44393    154.22406    151.62772    148.20144    143.38206 
   137.27420    135.91783    130.58886    128.28737    126.28056    125.37614 
   119.82814    118.11050    117.08478    110.74750    107.51389    104.61659 
   103.08495     99.72277     95.76606     94.24667     93.52303     90.69706 
    89.44779     85.13787     80.89890     79.92426     78.23292     72.90185 
    72.44825     68.24768     65.95638     62.94810     59.93588     59.58411 
    59.04415     56.05005     52.64131     52.31780     50.02807     47.28383 
    42.87551     40.52037     37.62681     36.30338     34.00338     28.79598 
    28.58848     27.09117     23.08405     21.06887     20.60288     16.77983 
    13.81369     12.23941      9.96602      8.65390      6.76170      3.96552 
overlap for current and previous eigenvector    109 is         0.9999997505
overlap for current and previous eigenvector    110 is         0.9999996062
overlap for current and previous eigenvector    111 is         0.9999995505
overlap for current and previous eigenvector    112 is         0.9999962989
overlap for current and previous eigenvector    113 is         0.9999964819
overlap for current and previous eigenvector    114 is         0.9999997076
J1,K1,R1,R2,RAT=   7   7   -0.4731255303E-02     2.004556434        0.9952687447    
FOB,PFOB,DIAG,PSTEP=   -0.5868217558E-05   -0.5840581859E-05     736.6999204        0.7928726842E-08
J1,K1,R1,R2,RAT=   8   8   -0.9357961700E-02     2.009336102        0.9906420383    
FOB,PFOB,DIAG,PSTEP=   -0.5906849924E-05   -0.5852085731E-05     674.0077959        0.8682614253E-08
J1,K1,R1,R2,RAT=   9   9   -0.2037446142E-01     2.020332826        0.9796255386    
FOB,PFOB,DIAG,PSTEP=   -0.1036691797E-05   -0.1015991095E-05     627.6075127        0.1618865654E-08
J1,K1,R1,R2,RAT=  10  10    0.1198762369E-01     1.988053370        0.9880123763    
FOB,PFOB,DIAG,PSTEP=    0.2341268880E-05    0.2369675071E-05     603.6267894       -0.3925648335E-08
J1,K1,R1,R2,RAT=  11  11   -0.5110911328E-02     2.005144460        0.9948890887    
FOB,PFOB,DIAG,PSTEP=   -0.1693290995E-05   -0.1684680885E-05     587.7571512        0.2866239267E-08
J1,K1,R1,R2,RAT= 109 109    0.4250378789E-02     1.995673505        0.9956735046    
FOB,PFOB,DIAG,PSTEP=   -0.7061408309E-04   -0.7091551235E-04     13.81369278        0.5133906806E-05
J1,K1,R1,R2,RAT= 110 110   -0.5385277146         159.2739746        0.4614722854    
FOB,PFOB,DIAG,PSTEP=   -0.9780054701E-02   -0.9714142079E-02     12.23941126        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3396426485         39.80427876        0.6603573515    
FOB,PFOB,DIAG,PSTEP=    0.1966526026E-02    0.2000374867E-02     9.966016258       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9994123141         198.7667096        0.5876859083E-03
FOB,PFOB,DIAG,PSTEP=   -0.1103609050E-01   -0.1092566533E-01     8.653895279        0.1276767370E-04
J1,K1,R1,R2,RAT= 113 113   -0.7060663961         301.8198146        0.2939336039    
FOB,PFOB,DIAG,PSTEP=   -0.2686222838E-01   -0.2673684065E-01     6.761696042        0.2626357575E-04
J1,K1,R1,R2,RAT= 114 114    0.9899182292        -928.3639611        0.1008177083E-01
FOB,PFOB,DIAG,PSTEP=   -0.7370749357       -0.7355047181         3.965523532       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
     0.00002     -0.00001      0.00001      0.00003     -0.00000     -0.00002 
    -0.00003     -0.00003     -0.00002      0.00003      0.00002     -0.00002 
    -0.00001      0.00001      0.00001     -0.00003      0.00001      0.00007 
     0.00003      0.00003      0.00008     -0.00002     -0.00005      0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001     -0.00002      0.00005 
    -0.00004     -0.00001     -0.00004      0.00001     -0.00002      0.00006 
    -0.00002     -0.00006     -0.00001     -0.00005      0.00002      0.00000 
     0.00004     -0.00005     -0.00012     -0.00009      0.00003      0.00010 
     0.00004      0.00011     -0.00006     -0.00003     -0.00009     -0.00001 
    -0.00007     -0.00978      0.00197     -0.01104     -0.02686     -0.73707 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4168917747
 Log product of positive Hessian eigenvalues =          519.6130588819
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9655235325
 Unscaled step for mode    7=        0.0000000080
 Unscaled step for mode    8=        0.0000000088
 Unscaled step for mode    9=        0.0000000017
 Unscaled step for mode   10=       -0.0000000039
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000078
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000015
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000151
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000429
 Unscaled step for mode   20=       -0.0000000151
 Unscaled step for mode   21=       -0.0000000159
 Unscaled step for mode   22=        0.0000000243
 Unscaled step for mode   23=       -0.0000000033
 Unscaled step for mode   24=        0.0000000102
 Unscaled step for mode   25=        0.0000000631
 Unscaled step for mode   26=        0.0000001046
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000436
 Unscaled step for mode   29=       -0.0000000627
 Unscaled step for mode   30=        0.0000000803
 Unscaled step for mode   31=        0.0000000624
 Unscaled step for mode   32=        0.0000000287
 Unscaled step for mode   33=       -0.0000000488
 Unscaled step for mode   34=       -0.0000000516
 Unscaled step for mode   35=       -0.0000000919
 Unscaled step for mode   36=       -0.0000000790
 Unscaled step for mode   37=        0.0000000778
 Unscaled step for mode   38=       -0.0000000068
 Unscaled step for mode   39=        0.0000000862
 Unscaled step for mode   40=        0.0000000820
 Unscaled step for mode   41=        0.0000001869
 Unscaled step for mode   42=        0.0000000687
 Unscaled step for mode   43=        0.0000000820
 Unscaled step for mode   44=        0.0000001487
 Unscaled step for mode   45=       -0.0000000067
 Unscaled step for mode   46=       -0.0000001427
 Unscaled step for mode   47=        0.0000001445
 Unscaled step for mode   48=       -0.0000000311
 Unscaled step for mode   49=       -0.0000001446
 Unscaled step for mode   50=       -0.0000000454
 Unscaled step for mode   51=        0.0000000966
 Unscaled step for mode   52=       -0.0000000295
 Unscaled step for mode   53=        0.0000000833
 Unscaled step for mode   54=        0.0000001251
 Unscaled step for mode   55=       -0.0000001303
 Unscaled step for mode   56=        0.0000000389
 Unscaled step for mode   57=       -0.0000000836
 Unscaled step for mode   58=       -0.0000001712
 Unscaled step for mode   59=        0.0000000260
 Unscaled step for mode   60=        0.0000001689
 Unscaled step for mode   61=        0.0000002371
 Unscaled step for mode   62=        0.0000001980
 Unscaled step for mode   63=        0.0000001647
 Unscaled step for mode   64=       -0.0000002588
 Unscaled step for mode   65=       -0.0000001850
 Unscaled step for mode   66=        0.0000001227
 Unscaled step for mode   67=        0.0000000882
 Unscaled step for mode   68=       -0.0000000787
 Unscaled step for mode   69=       -0.0000000597
 Unscaled step for mode   70=        0.0000002676
 Unscaled step for mode   71=       -0.0000000624
 Unscaled step for mode   72=       -0.0000006571
 Unscaled step for mode   73=       -0.0000002893
 Unscaled step for mode   74=       -0.0000002651
 Unscaled step for mode   75=       -0.0000008507
 Unscaled step for mode   76=        0.0000002297
 Unscaled step for mode   77=        0.0000004993
 Unscaled step for mode   78=       -0.0000001026
 Unscaled step for mode   79=        0.0000000888
 Unscaled step for mode   80=        0.0000002601
 Unscaled step for mode   81=        0.0000003076
 Unscaled step for mode   82=        0.0000001230
 Unscaled step for mode   83=        0.0000002041
 Unscaled step for mode   84=       -0.0000006740
 Unscaled step for mode   85=        0.0000005364
 Unscaled step for mode   86=        0.0000001871
 Unscaled step for mode   87=        0.0000006730
 Unscaled step for mode   88=       -0.0000001519
 Unscaled step for mode   89=        0.0000002871
 Unscaled step for mode   90=       -0.0000010674
 Unscaled step for mode   91=        0.0000003777
 Unscaled step for mode   92=        0.0000011120
 Unscaled step for mode   93=        0.0000002581
 Unscaled step for mode   94=        0.0000010369
 Unscaled step for mode   95=       -0.0000003341
 Unscaled step for mode   96=       -0.0000000315
 Unscaled step for mode   97=       -0.0000010045
 Unscaled step for mode   98=        0.0000012582
 Unscaled step for mode   99=        0.0000033018
 Unscaled step for mode  100=        0.0000024414
 Unscaled step for mode  101=       -0.0000007549
 Unscaled step for mode  102=       -0.0000036255
 Unscaled step for mode  103=       -0.0000012436
 Unscaled step for mode  104=       -0.0000040369
 Unscaled step for mode  105=        0.0000028138
 Unscaled step for mode  106=        0.0000016008
 Unscaled step for mode  107=        0.0000043516
 Unscaled step for mode  108=        0.0000004647
 Unscaled step for mode  109=        0.0000051119
 Unscaled step for mode  110=        0.0007990620
 Unscaled step for mode  111=       -0.0001973232
 Unscaled step for mode  112=        0.0012752723
 Unscaled step for mode  113=        0.0039726430
 Unscaled step for mode  114=       -0.1798580569
 Largest modulus ratio of non-zero e/values=           185.7762069    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.130321E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.814995E-15    0.100698E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.222168E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.112323E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.142112E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.916666E-15    0.973982E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.586822E-05    0.736700E+03  0.796555E-08 0.100000E-04    0.995269E+00
   8   -0.590685E-05    0.674008E+03  0.876377E-08 0.100000E-04    0.990642E+00
   9   -0.103669E-05    0.627608E+03  0.165182E-08 0.100000E-04    0.979626E+00
  10    0.234127E-05    0.603627E+03 -0.387867E-08 0.100000E-04    0.988012E+00
  11   -0.169329E-05    0.587757E+03  0.288094E-08 0.100000E-04    0.994889E+00
  12   -0.449979E-05    0.573689E+03  0.784361E-08 0.100000E-04    0.983135E+00
  13   -0.363914E-05    0.567090E+03  0.641721E-08 0.100000E-04    0.990558E+00
  14    0.738368E-06    0.484282E+03 -0.152466E-08 0.100000E-04    0.897980E+00
  15    0.193515E-05    0.463832E+03 -0.417208E-08 0.100000E-04    0.983247E+00
  16    0.693787E-05    0.460968E+03 -0.150507E-07 0.100000E-04    0.999727E+00
  17    0.456537E-05    0.441495E+03 -0.103407E-07 0.100000E-04    0.994131E+00
  18    0.486492E-05    0.429301E+03 -0.113322E-07 0.100000E-04    0.998070E+00
  19   -0.181125E-04    0.422009E+03  0.429197E-07 0.100000E-04    0.999115E+00
  20    0.617448E-05    0.408318E+03 -0.151218E-07 0.100000E-04    0.992894E+00
  21    0.630835E-05    0.397128E+03 -0.158850E-07 0.100000E-04    0.994728E+00
  22   -0.943781E-05    0.388721E+03  0.242791E-07 0.100000E-04    0.997546E+00
  23    0.121370E-05    0.368334E+03 -0.329511E-08 0.100000E-04    0.962833E+00
  24   -0.369261E-05    0.361307E+03  0.102202E-07 0.100000E-04    0.991758E+00
  25   -0.221098E-04    0.350455E+03  0.630887E-07 0.100000E-04    0.997599E+00
  26   -0.350937E-04    0.335402E+03  0.104632E-06 0.100000E-04    0.999893E+00
  27   -0.174804E-04    0.326672E+03  0.535107E-07 0.100000E-04    0.998588E+00
  28    0.140078E-04    0.321464E+03 -0.435750E-07 0.100000E-04    0.996250E+00
  29    0.200844E-04    0.320210E+03 -0.627228E-07 0.100000E-04    0.991920E+00
  30   -0.250308E-04    0.311534E+03  0.803470E-07 0.100000E-04    0.997667E+00
  31   -0.189261E-04    0.303243E+03  0.624123E-07 0.100000E-04    0.992614E+00
  32   -0.830277E-05    0.289084E+03  0.287210E-07 0.100000E-04    0.996400E+00
  33    0.135891E-04    0.278539E+03 -0.487869E-07 0.100000E-04    0.998094E+00
  34    0.139758E-04    0.271049E+03 -0.515618E-07 0.100000E-04    0.997400E+00
  35    0.245640E-04    0.267321E+03 -0.918894E-07 0.100000E-04    0.997499E+00
  36    0.209111E-04    0.264541E+03 -0.790465E-07 0.100000E-04    0.996126E+00
  37   -0.202576E-04    0.260439E+03  0.777826E-07 0.100000E-04    0.998287E+00
  38    0.172275E-05    0.253934E+03 -0.678425E-08 0.100000E-04    0.971220E+00
  39   -0.208666E-04    0.242037E+03  0.862122E-07 0.100000E-04    0.999488E+00
  40   -0.195905E-04    0.238919E+03  0.819967E-07 0.100000E-04    0.992274E+00
  41   -0.438068E-04    0.234444E+03  0.186854E-06 0.100000E-04    0.997467E+00
  42   -0.156855E-04    0.228253E+03  0.687199E-07 0.100000E-04    0.992650E+00
  43   -0.179711E-04    0.219100E+03  0.820222E-07 0.100000E-04    0.992872E+00
  44   -0.318525E-04    0.214158E+03  0.148734E-06 0.100000E-04    0.993983E+00
  45    0.143388E-05    0.212635E+03 -0.674338E-08 0.100000E-04    0.967467E+00
  46    0.295710E-04    0.207180E+03 -0.142731E-06 0.100000E-04    0.996026E+00
  47   -0.294226E-04    0.203569E+03  0.144534E-06 0.100000E-04    0.999819E+00
  48    0.612893E-05    0.197113E+03 -0.310934E-07 0.100000E-04    0.999316E+00
  49    0.282040E-04    0.195092E+03 -0.144568E-06 0.100000E-04    0.995059E+00
  50    0.869746E-05    0.191444E+03 -0.454308E-07 0.100000E-04    0.978422E+00
  51   -0.177479E-04    0.183773E+03  0.965749E-07 0.100000E-04    0.995554E+00
  52    0.515484E-05    0.174568E+03 -0.295292E-07 0.100000E-04    0.988301E+00
  53   -0.143298E-04    0.172115E+03  0.832572E-07 0.100000E-04    0.998564E+00
  54   -0.209651E-04    0.167625E+03  0.125071E-06 0.100000E-04    0.994098E+00
  55    0.214501E-04    0.164626E+03 -0.130296E-06 0.100000E-04    0.998139E+00
  56   -0.616154E-05    0.158444E+03  0.388878E-07 0.100000E-04    0.991146E+00
  57    0.128982E-04    0.154224E+03 -0.836327E-07 0.100000E-04    0.995408E+00
  58    0.259639E-04    0.151628E+03 -0.171235E-06 0.100000E-04    0.998294E+00
  59   -0.385929E-05    0.148201E+03  0.260409E-07 0.100000E-04    0.999951E+00
  60   -0.242192E-04    0.143382E+03  0.168914E-06 0.100000E-04    0.996825E+00
  61   -0.325460E-04    0.137274E+03  0.237087E-06 0.100000E-04    0.999171E+00
  62   -0.269065E-04    0.135918E+03  0.197961E-06 0.100000E-04    0.996498E+00
  63   -0.215059E-04    0.130589E+03  0.164684E-06 0.100000E-04    0.991193E+00
  64    0.332048E-04    0.128287E+03 -0.258831E-06 0.100000E-04    0.995693E+00
  65    0.233617E-04    0.126281E+03 -0.184998E-06 0.100000E-04    0.999128E+00
  66   -0.153843E-04    0.125376E+03  0.122705E-06 0.100000E-04    0.989470E+00
  67   -0.105733E-04    0.119828E+03  0.882374E-07 0.100000E-04    0.986745E+00
  68    0.929318E-05    0.118110E+03 -0.786821E-07 0.100000E-04    0.999552E+00
  69    0.699252E-05    0.117085E+03 -0.597218E-07 0.100000E-04    0.998045E+00
  70   -0.296388E-04    0.110747E+03  0.267625E-06 0.100000E-04    0.993514E+00
  71    0.670842E-05    0.107514E+03 -0.623959E-07 0.100000E-04    0.997618E+00
  72    0.687480E-04    0.104617E+03 -0.657142E-06 0.100000E-04    0.998748E+00
  73    0.298245E-04    0.103085E+03 -0.289319E-06 0.100000E-04    0.998856E+00
  74    0.264351E-04    0.997228E+02 -0.265086E-06 0.100000E-04    0.994775E+00
  75    0.814696E-04    0.957661E+02 -0.850715E-06 0.100000E-04    0.998472E+00
  76   -0.216444E-04    0.942467E+02  0.229657E-06 0.100000E-04    0.980447E+00
  77   -0.466959E-04    0.935230E+02  0.499298E-06 0.100000E-04    0.992375E+00
  78    0.930860E-05    0.906971E+02 -0.102634E-06 0.100000E-04    0.967064E+00
  79   -0.793984E-05    0.894478E+02  0.887651E-07 0.100000E-04    0.988307E+00
  80   -0.221486E-04    0.851379E+02  0.260150E-06 0.100000E-04    0.997289E+00
  81   -0.248835E-04    0.808989E+02  0.307588E-06 0.100000E-04    0.997698E+00
  82   -0.983305E-05    0.799243E+02  0.123030E-06 0.100000E-04    0.973300E+00
  83   -0.159641E-04    0.782329E+02  0.204059E-06 0.100000E-04    0.990630E+00
  84    0.491329E-04    0.729019E+02 -0.673960E-06 0.100000E-04    0.999232E+00
  85   -0.388595E-04    0.724482E+02  0.536376E-06 0.100000E-04    0.990418E+00
  86   -0.127688E-04    0.682477E+02  0.187096E-06 0.100000E-04    0.987481E+00
  87   -0.443859E-04    0.659564E+02  0.672959E-06 0.100000E-04    0.999904E+00
  88    0.956250E-05    0.629481E+02 -0.151911E-06 0.100000E-04    0.996486E+00
  89   -0.172072E-04    0.599359E+02  0.287094E-06 0.100000E-04    0.975463E+00
  90    0.636013E-04    0.595841E+02 -0.106742E-05 0.100000E-04    0.998907E+00
  91   -0.223023E-04    0.590442E+02  0.377723E-06 0.100000E-04    0.981793E+00
  92   -0.623274E-04    0.560501E+02  0.111199E-05 0.100000E-04    0.996856E+00
  93   -0.135867E-04    0.526413E+02  0.258100E-06 0.100000E-04    0.964227E+00
  94   -0.542507E-04    0.523178E+02  0.103695E-05 0.100000E-04    0.999694E+00
  95    0.167122E-04    0.500281E+02 -0.334056E-06 0.100000E-04    0.976470E+00
  96    0.148719E-05    0.472838E+02 -0.314524E-07 0.100000E-04    0.975434E+00
  97    0.430665E-04    0.428755E+02 -0.100446E-05 0.100000E-04    0.992777E+00
  98   -0.509832E-04    0.405204E+02  0.125821E-05 0.100000E-04    0.998537E+00
  99   -0.124237E-03    0.376268E+02  0.330181E-05 0.100000E-04    0.996711E+00
 100   -0.886310E-04    0.363034E+02  0.244140E-05 0.100000E-04    0.999087E+00
 101    0.256679E-04    0.340034E+02 -0.754863E-06 0.100000E-04    0.983492E+00
 102    0.104400E-03    0.287960E+02 -0.362551E-05 0.100000E-04    0.998623E+00
 103    0.355540E-04    0.285885E+02 -0.124365E-05 0.100000E-04    0.992532E+00
 104    0.109365E-03    0.270912E+02 -0.403691E-05 0.100000E-04    0.997895E+00
 105   -0.649545E-04    0.230840E+02  0.281383E-05 0.100000E-04    0.996902E+00
 106   -0.337274E-04    0.210689E+02  0.160082E-05 0.100000E-04    0.984957E+00
 107   -0.896565E-04    0.206029E+02  0.435165E-05 0.100000E-04    0.993980E+00
 108   -0.779771E-05    0.167798E+02  0.464707E-06 0.100000E-04    0.934752E+00
 109   -0.706141E-04    0.138137E+02  0.511189E-05 0.100000E-04    0.995674E+00
 110   -0.978005E-02    0.122394E+02  0.100000E-04 0.100000E-04    0.461472E+00
 111    0.196653E-02    0.996602E+01 -0.100000E-04 0.100000E-04    0.660357E+00
 112   -0.110361E-01    0.865390E+01  0.139168E-04 0.139168E-04    0.587686E-03
 113   -0.268622E-01    0.676170E+01  0.236609E-04 0.236609E-04    0.293934E+00
 114   -0.737075E+00    0.396552E+01 -0.400000E-03 0.400000E-03    0.100818E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1798580569    

 Beginning of optimization cycle  382.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3419937714
 potential> RMS force:                                               0.0692407100   |gradient|=.7392884784    
 Eigenvalues of the Hessian matrix:
   736.76426    674.01542    627.62056    603.61411    587.74748    573.73122 
   567.09081    484.30911    463.80881    460.96162    441.49769    429.29458 
   422.01112    408.32310    397.12250    388.71741    368.34322    361.29855 
   350.44781    335.39070    326.68772    321.46636    320.20341    311.51491 
   303.22754    289.09387    278.53522    271.05734    267.32902    264.54593 
   260.45767    253.93356    242.03285    238.93175    234.43240    228.24694 
   219.07935    214.16495    212.64150    207.17823    203.56774    197.10461 
   195.08815    191.44228    183.76354    174.55870    172.11906    167.62763 
   164.61723    158.43252    154.22911    151.63362    148.19186    143.38412 
   137.27805    135.91892    130.58740    128.29193    126.28455    125.37103 
   119.82974    118.11121    117.08575    110.74243    107.50764    104.61396 
   103.08433     99.72187     95.76565     94.23228     93.53360     90.70097 
    89.44190     85.14084     80.89849     79.92646     78.23174     72.90477 
    72.45268     68.24677     65.94521     62.94125     59.93563     59.57885 
    59.04225     56.05003     52.63913     52.31807     50.02743     47.27797 
    42.87612     40.52308     37.63060     36.30572     33.99096     28.79568 
    28.58716     27.08341     23.08613     21.06369     20.60526     16.77888 
    13.81422     12.23934      9.96745      8.64993      6.75342      3.96005 
overlap for current and previous eigenvector    109 is         0.9999997542
overlap for current and previous eigenvector    110 is         0.9999996106
overlap for current and previous eigenvector    111 is         0.9999995699
overlap for current and previous eigenvector    112 is         0.9999963640
overlap for current and previous eigenvector    113 is         0.9999965318
overlap for current and previous eigenvector    114 is         0.9999997137
J1,K1,R1,R2,RAT=   7   7   -0.6464299847E-02     2.006289641        0.9935357002    
FOB,PFOB,DIAG,PSTEP=   -0.5906154789E-05   -0.5868217558E-05     736.7642616        0.7965546616E-08
J1,K1,R1,R2,RAT=   8   8    0.3373319498E-02     1.996604055        0.9966040548    
FOB,PFOB,DIAG,PSTEP=   -0.5886924007E-05   -0.5906849924E-05     674.0154209        0.8763770924E-08
J1,K1,R1,R2,RAT=   9   9   -0.2324074432E-03     2.000190836        0.9997675926    
FOB,PFOB,DIAG,PSTEP=   -0.1036932737E-05   -0.1036691797E-05     627.6205582        0.1651815468E-08
J1,K1,R1,R2,RAT=  10  10   -0.2313538352E-01     2.023177380        0.9768646165    
FOB,PFOB,DIAG,PSTEP=    0.2395433896E-05    0.2341268880E-05     603.6141146       -0.3878669603E-08
J1,K1,R1,R2,RAT=  11  11   -0.9287929761E-02     2.009320831        0.9907120702    
FOB,PFOB,DIAG,PSTEP=   -0.1709017904E-05   -0.1693290995E-05     587.7474822        0.2880936441E-08
J1,K1,R1,R2,RAT= 109 109    0.1636706336E-02     1.998286641        0.9982866413    
FOB,PFOB,DIAG,PSTEP=   -0.7049850415E-04   -0.7061408309E-04     13.81422223        0.5111890369E-05
J1,K1,R1,R2,RAT= 110 110   -0.5556675217         160.3691254        0.4443324783    
FOB,PFOB,DIAG,PSTEP=   -0.9848064727E-02   -0.9780054701E-02     12.23933808        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3391146822         39.11984986        0.6608853178    
FOB,PFOB,DIAG,PSTEP=    0.1932724944E-02    0.1966526026E-02     9.967448709       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8093140580         184.1649747        0.1906859420    
FOB,PFOB,DIAG,PSTEP=   -0.1113351496E-01   -0.1103609050E-01     8.649931213        0.1391676433E-04
J1,K1,R1,R2,RAT= 113 113   -0.8413592172         337.0567123        0.1586407828    
FOB,PFOB,DIAG,PSTEP=   -0.2699667068E-01   -0.2686222838E-01     6.753417764        0.2366087905E-04
J1,K1,R1,R2,RAT= 114 114    0.9900772826        -931.6294683        0.9922717352E-02
FOB,PFOB,DIAG,PSTEP=   -0.7386432363       -0.7370749357         3.960045872       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
     0.00002     -0.00001      0.00001      0.00003      0.00000     -0.00002 
     0.00003      0.00003     -0.00002      0.00003      0.00002      0.00002 
    -0.00001      0.00001      0.00001     -0.00003     -0.00001      0.00007 
    -0.00003      0.00003      0.00008      0.00002     -0.00005      0.00001 
    -0.00001     -0.00002     -0.00002     -0.00001     -0.00002     -0.00005 
     0.00004     -0.00001     -0.00004      0.00001      0.00002      0.00006 
    -0.00002     -0.00006     -0.00001     -0.00005      0.00002      0.00000 
     0.00004     -0.00005      0.00012     -0.00009      0.00003      0.00010 
     0.00004      0.00011     -0.00007      0.00004      0.00009     -0.00001 
    -0.00007     -0.00985      0.00193     -0.01113     -0.02700     -0.73864 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4166911424
 Log product of positive Hessian eigenvalues =          519.6088924287
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9600458721
 Unscaled step for mode    7=        0.0000000080
 Unscaled step for mode    8=        0.0000000087
 Unscaled step for mode    9=        0.0000000017
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000078
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000016
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000151
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000431
 Unscaled step for mode   20=       -0.0000000151
 Unscaled step for mode   21=       -0.0000000159
 Unscaled step for mode   22=        0.0000000244
 Unscaled step for mode   23=       -0.0000000032
 Unscaled step for mode   24=        0.0000000103
 Unscaled step for mode   25=        0.0000000632
 Unscaled step for mode   26=        0.0000001048
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000435
 Unscaled step for mode   29=       -0.0000000635
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000625
 Unscaled step for mode   32=        0.0000000289
 Unscaled step for mode   33=       -0.0000000491
 Unscaled step for mode   34=       -0.0000000520
 Unscaled step for mode   35=       -0.0000000917
 Unscaled step for mode   36=       -0.0000000791
 Unscaled step for mode   37=        0.0000000780
 Unscaled step for mode   38=       -0.0000000070
 Unscaled step for mode   39=        0.0000000864
 Unscaled step for mode   40=        0.0000000827
 Unscaled step for mode   41=        0.0000001871
 Unscaled step for mode   42=        0.0000000688
 Unscaled step for mode   43=        0.0000000820
 Unscaled step for mode   44=        0.0000001490
 Unscaled step for mode   45=       -0.0000000073
 Unscaled step for mode   46=       -0.0000001431
 Unscaled step for mode   47=        0.0000001441
 Unscaled step for mode   48=       -0.0000000314
 Unscaled step for mode   49=       -0.0000001444
 Unscaled step for mode   50=       -0.0000000465
 Unscaled step for mode   51=        0.0000000965
 Unscaled step for mode   52=       -0.0000000297
 Unscaled step for mode   53=        0.0000000836
 Unscaled step for mode   54=        0.0000001252
 Unscaled step for mode   55=       -0.0000001304
 Unscaled step for mode   56=        0.0000000391
 Unscaled step for mode   57=       -0.0000000842
 Unscaled step for mode   58=       -0.0000001714
 Unscaled step for mode   59=       -0.0000000266
 Unscaled step for mode   60=        0.0000001690
 Unscaled step for mode   61=       -0.0000002390
 Unscaled step for mode   62=       -0.0000001977
 Unscaled step for mode   63=        0.0000001657
 Unscaled step for mode   64=       -0.0000002600
 Unscaled step for mode   65=       -0.0000001865
 Unscaled step for mode   66=       -0.0000001224
 Unscaled step for mode   67=        0.0000000881
 Unscaled step for mode   68=       -0.0000000789
 Unscaled step for mode   69=       -0.0000000605
 Unscaled step for mode   70=        0.0000002668
 Unscaled step for mode   71=        0.0000000624
 Unscaled step for mode   72=       -0.0000006606
 Unscaled step for mode   73=        0.0000002897
 Unscaled step for mode   74=       -0.0000002657
 Unscaled step for mode   75=       -0.0000008519
 Unscaled step for mode   76=       -0.0000002353
 Unscaled step for mode   77=        0.0000004965
 Unscaled step for mode   78=       -0.0000001027
 Unscaled step for mode   79=        0.0000000892
 Unscaled step for mode   80=        0.0000002595
 Unscaled step for mode   81=        0.0000003083
 Unscaled step for mode   82=        0.0000001232
 Unscaled step for mode   83=        0.0000002022
 Unscaled step for mode   84=        0.0000006796
 Unscaled step for mode   85=       -0.0000005379
 Unscaled step for mode   86=        0.0000001902
 Unscaled step for mode   87=        0.0000006747
 Unscaled step for mode   88=       -0.0000001536
 Unscaled step for mode   89=       -0.0000002742
 Unscaled step for mode   90=       -0.0000010724
 Unscaled step for mode   91=        0.0000003903
 Unscaled step for mode   92=        0.0000011085
 Unscaled step for mode   93=        0.0000002532
 Unscaled step for mode   94=        0.0000010422
 Unscaled step for mode   95=       -0.0000003374
 Unscaled step for mode   96=       -0.0000000254
 Unscaled step for mode   97=       -0.0000010157
 Unscaled step for mode   98=        0.0000012657
 Unscaled step for mode   99=       -0.0000033144
 Unscaled step for mode  100=        0.0000024359
 Unscaled step for mode  101=       -0.0000007741
 Unscaled step for mode  102=       -0.0000036407
 Unscaled step for mode  103=       -0.0000012504
 Unscaled step for mode  104=       -0.0000040767
 Unscaled step for mode  105=        0.0000028230
 Unscaled step for mode  106=       -0.0000017144
 Unscaled step for mode  107=       -0.0000042707
 Unscaled step for mode  108=        0.0000005348
 Unscaled step for mode  109=        0.0000051033
 Unscaled step for mode  110=        0.0008046234
 Unscaled step for mode  111=       -0.0001939037
 Unscaled step for mode  112=        0.0012871197
 Unscaled step for mode  113=        0.0039974188
 Unscaled step for mode  114=       -0.1804502622
 Largest modulus ratio of non-zero e/values=           186.0494260    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.603684E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.103487E-14    0.100698E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.204827E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.575495E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.477991E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.271999E-15    0.973984E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.590615E-05    0.736764E+03  0.801634E-08 0.100000E-04    0.993536E+00
   8   -0.588692E-05    0.674015E+03  0.873411E-08 0.100000E-04    0.996604E+00
   9   -0.103693E-05    0.627621E+03  0.165217E-08 0.100000E-04    0.999768E+00
  10    0.239543E-05    0.603614E+03 -0.396849E-08 0.100000E-04    0.976865E+00
  11   -0.170902E-05    0.587747E+03  0.290774E-08 0.100000E-04    0.990712E+00
  12   -0.448756E-05    0.573731E+03  0.782172E-08 0.100000E-04    0.997134E+00
  13   -0.361211E-05    0.567091E+03  0.636955E-08 0.100000E-04    0.992571E+00
  14    0.752675E-06    0.484309E+03 -0.155412E-08 0.100000E-04    0.980625E+00
  15    0.192174E-05    0.463809E+03 -0.414339E-08 0.100000E-04    0.993073E+00
  16    0.697836E-05    0.460962E+03 -0.151387E-07 0.100000E-04    0.994163E+00
  17    0.461259E-05    0.441498E+03 -0.104476E-07 0.100000E-04    0.989657E+00
  18    0.486757E-05    0.429295E+03 -0.113385E-07 0.100000E-04    0.999456E+00
  19   -0.181792E-04    0.422011E+03  0.430775E-07 0.100000E-04    0.996317E+00
  20    0.617973E-05    0.408323E+03 -0.151344E-07 0.100000E-04    0.999150E+00
  21    0.631718E-05    0.397123E+03 -0.159074E-07 0.100000E-04    0.998600E+00
  22   -0.948583E-05    0.388717E+03  0.244029E-07 0.100000E-04    0.994912E+00
  23    0.116734E-05    0.368343E+03 -0.316916E-08 0.100000E-04    0.961749E+00
  24   -0.372642E-05    0.361299E+03  0.103140E-07 0.100000E-04    0.990846E+00
  25   -0.221565E-04    0.350448E+03  0.632233E-07 0.100000E-04    0.997888E+00
  26   -0.351647E-04    0.335391E+03  0.104847E-06 0.100000E-04    0.997978E+00
  27   -0.174878E-04    0.326688E+03  0.535307E-07 0.100000E-04    0.999577E+00
  28    0.139849E-04    0.321466E+03 -0.435035E-07 0.100000E-04    0.998351E+00
  29    0.203459E-04    0.320203E+03 -0.635406E-07 0.100000E-04    0.986982E+00
  30   -0.249410E-04    0.311515E+03  0.800636E-07 0.100000E-04    0.996411E+00
  31   -0.189449E-04    0.303228E+03  0.624775E-07 0.100000E-04    0.999005E+00
  32   -0.834377E-05    0.289094E+03  0.288618E-07 0.100000E-04    0.995062E+00
  33    0.136844E-04    0.278535E+03 -0.491298E-07 0.100000E-04    0.992985E+00
  34    0.140860E-04    0.271057E+03 -0.519669E-07 0.100000E-04    0.992112E+00
  35    0.245119E-04    0.267329E+03 -0.916918E-07 0.100000E-04    0.997820E+00
  36    0.209295E-04    0.264546E+03 -0.791149E-07 0.100000E-04    0.999116E+00
  37   -0.203054E-04    0.260458E+03  0.779606E-07 0.100000E-04    0.997639E+00
  38    0.177875E-05    0.253934E+03 -0.700478E-08 0.100000E-04    0.967496E+00
  39   -0.209224E-04    0.242033E+03  0.864445E-07 0.100000E-04    0.997325E+00
  40   -0.197550E-04    0.238932E+03  0.826803E-07 0.100000E-04    0.991607E+00
  41   -0.438628E-04    0.234432E+03  0.187102E-06 0.100000E-04    0.998722E+00
  42   -0.157072E-04    0.228247E+03  0.688165E-07 0.100000E-04    0.998621E+00
  43   -0.179718E-04    0.219079E+03  0.820331E-07 0.100000E-04    0.999962E+00
  44   -0.319124E-04    0.214165E+03  0.149009E-06 0.100000E-04    0.998117E+00
  45    0.155863E-05    0.212642E+03 -0.732987E-08 0.100000E-04    0.912996E+00
  46    0.296473E-04    0.207178E+03 -0.143101E-06 0.100000E-04    0.997419E+00
  47   -0.293377E-04    0.203568E+03  0.144118E-06 0.100000E-04    0.997113E+00
  48    0.618758E-05    0.197105E+03 -0.313923E-07 0.100000E-04    0.990431E+00
  49    0.281799E-04    0.195088E+03 -0.144447E-06 0.100000E-04    0.999147E+00
  50    0.890347E-05    0.191442E+03 -0.465073E-07 0.100000E-04    0.976314E+00
  51   -0.177284E-04    0.183764E+03  0.964742E-07 0.100000E-04    0.998905E+00
  52    0.518091E-05    0.174559E+03 -0.296801E-07 0.100000E-04    0.994943E+00
  53   -0.143829E-04    0.172119E+03  0.835639E-07 0.100000E-04    0.996290E+00
  54   -0.209881E-04    0.167628E+03  0.125207E-06 0.100000E-04    0.998901E+00
  55    0.214656E-04    0.164617E+03 -0.130397E-06 0.100000E-04    0.999277E+00
  56   -0.619627E-05    0.158433E+03  0.391098E-07 0.100000E-04    0.994363E+00
  57    0.129890E-04    0.154229E+03 -0.842190E-07 0.100000E-04    0.992957E+00
  58    0.259932E-04    0.151634E+03 -0.171421E-06 0.100000E-04    0.998871E+00
  59    0.394885E-05    0.148192E+03 -0.266469E-07 0.100000E-04    0.976794E+00
  60   -0.242344E-04    0.143384E+03  0.169017E-06 0.100000E-04    0.999373E+00
  61    0.328090E-04    0.137278E+03 -0.238997E-06 0.100000E-04    0.991919E+00
  62    0.268674E-04    0.135919E+03 -0.197672E-06 0.100000E-04    0.998530E+00
  63   -0.216379E-04    0.130587E+03  0.165696E-06 0.100000E-04    0.993865E+00
  64    0.333588E-04    0.128292E+03 -0.260023E-06 0.100000E-04    0.995362E+00
  65    0.235476E-04    0.126285E+03 -0.186465E-06 0.100000E-04    0.992042E+00
  66    0.153500E-04    0.125371E+03 -0.122437E-06 0.100000E-04    0.997767E+00
  67   -0.105511E-04    0.119830E+03  0.880504E-07 0.100000E-04    0.997867E+00
  68    0.931513E-05    0.118111E+03 -0.788674E-07 0.100000E-04    0.997639E+00
  69    0.708534E-05    0.117086E+03 -0.605141E-07 0.100000E-04    0.986725E+00
  70   -0.295465E-04    0.110742E+03  0.266804E-06 0.100000E-04    0.996886E+00
  71   -0.670387E-05    0.107508E+03  0.623571E-07 0.100000E-04    0.999321E+00
  72    0.691087E-04    0.104614E+03 -0.660607E-06 0.100000E-04    0.994753E+00
  73   -0.298638E-04    0.103084E+03  0.289703E-06 0.100000E-04    0.998680E+00
  74    0.264913E-04    0.997219E+02 -0.265652E-06 0.100000E-04    0.997874E+00
  75    0.815798E-04    0.957657E+02 -0.851869E-06 0.100000E-04    0.998647E+00
  76    0.221712E-04    0.942323E+02 -0.235282E-06 0.100000E-04    0.975658E+00
  77   -0.464396E-04    0.935336E+02  0.496502E-06 0.100000E-04    0.994286E+00
  78    0.931215E-05    0.907010E+02 -0.102669E-06 0.100000E-04    0.999618E+00
  79   -0.798026E-05    0.894419E+02  0.892229E-07 0.100000E-04    0.994908E+00
  80   -0.220905E-04    0.851408E+02  0.259458E-06 0.100000E-04    0.997306E+00
  81   -0.249379E-04    0.808985E+02  0.308262E-06 0.100000E-04    0.997814E+00
  82   -0.984705E-05    0.799265E+02  0.123201E-06 0.100000E-04    0.998575E+00
  83   -0.158169E-04    0.782317E+02  0.202180E-06 0.100000E-04    0.990778E+00
  84   -0.495453E-04    0.729048E+02  0.679589E-06 0.100000E-04    0.991607E+00
  85    0.389737E-04    0.724527E+02 -0.537919E-06 0.100000E-04    0.997061E+00
  86   -0.129773E-04    0.682468E+02  0.190152E-06 0.100000E-04    0.983676E+00
  87   -0.444953E-04    0.659452E+02  0.674731E-06 0.100000E-04    0.997536E+00
  88    0.967007E-05    0.629413E+02 -0.153637E-06 0.100000E-04    0.988749E+00
  89    0.164349E-04    0.599356E+02 -0.274210E-06 0.100000E-04    0.955118E+00
  90    0.638934E-04    0.595789E+02 -0.107242E-05 0.100000E-04    0.995406E+00
  91   -0.230430E-04    0.590422E+02  0.390280E-06 0.100000E-04    0.966789E+00
  92   -0.621296E-04    0.560500E+02  0.110847E-05 0.100000E-04    0.996828E+00
  93   -0.133286E-04    0.526391E+02  0.253206E-06 0.100000E-04    0.980997E+00
  94   -0.545278E-04    0.523181E+02  0.104224E-05 0.100000E-04    0.994893E+00
  95    0.168791E-04    0.500274E+02 -0.337396E-06 0.100000E-04    0.990014E+00
  96    0.119852E-05    0.472780E+02 -0.253505E-07 0.100000E-04    0.805873E+00
  97    0.435509E-04    0.428761E+02 -0.101574E-05 0.100000E-04    0.988754E+00
  98   -0.512913E-04    0.405231E+02  0.126573E-05 0.100000E-04    0.993957E+00
  99    0.124724E-03    0.376306E+02 -0.331443E-05 0.100000E-04    0.996075E+00
 100   -0.884371E-04    0.363057E+02  0.243590E-05 0.100000E-04    0.997684E+00
 101    0.263111E-04    0.339910E+02 -0.774062E-06 0.100000E-04    0.974932E+00
 102    0.104836E-03    0.287957E+02 -0.364070E-05 0.100000E-04    0.995821E+00
 103    0.357463E-04    0.285872E+02 -0.125043E-05 0.100000E-04    0.994590E+00
 104    0.110411E-03    0.270834E+02 -0.407671E-05 0.100000E-04    0.990427E+00
 105   -0.651726E-04    0.230861E+02  0.282302E-05 0.100000E-04    0.996643E+00
 106    0.361108E-04    0.210637E+02 -0.171436E-05 0.100000E-04    0.929317E+00
 107    0.879994E-04    0.206053E+02 -0.427072E-05 0.100000E-04    0.981287E+00
 108   -0.897397E-05    0.167789E+02  0.534837E-06 0.100000E-04    0.849144E+00
 109   -0.704985E-04    0.138142E+02  0.510333E-05 0.100000E-04    0.998287E+00
 110   -0.984806E-02    0.122393E+02  0.100000E-04 0.100000E-04    0.444332E+00
 111    0.193272E-02    0.996745E+01 -0.100000E-04 0.100000E-04    0.660885E+00
 112   -0.111335E-01    0.864993E+01  0.151693E-04 0.151693E-04    0.190686E+00
 113   -0.269967E-01    0.675342E+01  0.257904E-04 0.257904E-04    0.158641E+00
 114   -0.738643E+00    0.396005E+01 -0.400000E-03 0.400000E-03    0.992272E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1804502622    

 Beginning of optimization cycle  383.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3416989777
 potential> RMS force:                                               0.0693878669   |gradient|=.7408596849    
 Eigenvalues of the Hessian matrix:
   736.82877    674.02291    627.63386    603.60118    587.73777    573.77383 
   567.09116    484.33571    463.78540    460.95549    441.50018    429.28800 
   422.01351    408.32842    397.11736    388.71393    368.35269    361.29043 
   350.44013    335.37993    326.70377    321.46883    320.19701    311.49581 
   303.21198    289.10407    278.53121    271.06553    267.33694    264.55063 
   260.47658    253.93257    242.02827    238.94506    234.42139    228.24085 
   219.05856    214.17236    212.64830    207.17689    203.56686    197.09573 
   195.08447    191.44059    183.75401    174.54979    172.12362    167.63000 
   164.60845    158.42110    154.23417    151.63950    148.18219    143.38613 
   137.28195    135.92000    130.58589    128.29650    126.28858    125.36579 
   119.83135    118.11193    117.08668    110.73740    107.50141    104.61134 
   103.08370     99.72097     95.76528     94.21780     93.54412     90.70489 
    89.43597     85.14385     80.89811     79.92870     78.23056     72.90770 
    72.45703     68.24585     65.93402     62.93433     59.93548     59.57358 
    59.04030     56.05000     52.63698     52.31828     50.02684     47.27207 
    42.87682     40.52579     37.63437     36.30804     33.97852     28.79541 
    28.58586     27.07567     23.08822     21.05860     20.60756     16.77791 
    13.81476     12.23927      9.96887      8.64618      6.74515      3.95455 
overlap for current and previous eigenvector    109 is         0.9999997591
overlap for current and previous eigenvector    110 is         0.9999996140
overlap for current and previous eigenvector    111 is        -0.9999995797
overlap for current and previous eigenvector    112 is         0.9999965569
overlap for current and previous eigenvector    113 is         0.9999967035
overlap for current and previous eigenvector    114 is         0.9999997023
J1,K1,R1,R2,RAT=   7   7   -0.6090886376E-02     2.005915796        0.9939091136    
FOB,PFOB,DIAG,PSTEP=   -0.5942131657E-05   -0.5906154789E-05     736.8287676        0.8016342671E-08
J1,K1,R1,R2,RAT=   8   8   -0.7737246203E-02     2.007715014        0.9922627538    
FOB,PFOB,DIAG,PSTEP=   -0.5932473094E-05   -0.5886924007E-05     674.0229135        0.8734108782E-08
J1,K1,R1,R2,RAT=   9   9   -0.7439707886E-01     2.074354684        0.9256029211    
FOB,PFOB,DIAG,PSTEP=   -0.1114079139E-05   -0.1036932737E-05     627.6338624        0.1652165028E-08
J1,K1,R1,R2,RAT=  10  10    0.1873556944E-03     1.999855495        0.9998126443    
FOB,PFOB,DIAG,PSTEP=    0.2394985107E-05    0.2395433896E-05     603.6011824       -0.3968485557E-08
J1,K1,R1,R2,RAT=  11  11    0.1504043548E-01     1.984992615        0.9849595645    
FOB,PFOB,DIAG,PSTEP=   -0.1683313956E-05   -0.1709017904E-05     587.7377698        0.2907741770E-08
J1,K1,R1,R2,RAT= 109 109   -0.1312715222E-01     2.013049093        0.9868728478    
FOB,PFOB,DIAG,PSTEP=   -0.7142398486E-04   -0.7049850415E-04     13.81476141        0.5103327786E-05
J1,K1,R1,R2,RAT= 110 110   -0.5448855388         161.4705800        0.4551144612    
FOB,PFOB,DIAG,PSTEP=   -0.9914754737E-02   -0.9848064727E-02     12.23926951        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     38.44061886        0.3345866015        0.6654133985    
FOB,PFOB,DIAG,PSTEP=   -0.1899370440E-02    0.1932724944E-02     9.968870162       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7359437427         170.5106793        0.2640562573    
FOB,PFOB,DIAG,PSTEP=   -0.1123003864E-01   -0.1113351496E-01     8.646183715        0.1516927312E-04
J1,K1,R1,R2,RAT= 113 113   -0.7861531890         311.1645665        0.2138468110    
FOB,PFOB,DIAG,PSTEP=   -0.2713342967E-01   -0.2699667068E-01     6.745145502        0.2579035816E-04
J1,K1,R1,R2,RAT= 114 114    0.9895644541        -934.9047506        0.1043554588E-01
FOB,PFOB,DIAG,PSTEP=   -0.7402085500       -0.7386432363         3.954552015       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
    -0.00002     -0.00001      0.00001     -0.00003     -0.00000     -0.00002 
     0.00003      0.00003      0.00002     -0.00003     -0.00002      0.00002 
    -0.00001     -0.00001      0.00001     -0.00003     -0.00001      0.00007 
     0.00003     -0.00003      0.00008      0.00002     -0.00005      0.00001 
     0.00001      0.00002     -0.00003      0.00001      0.00002     -0.00005 
     0.00004     -0.00001     -0.00004      0.00001     -0.00002      0.00006 
    -0.00002     -0.00006     -0.00001      0.00005      0.00002     -0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009     -0.00003     -0.00010 
    -0.00004     -0.00011     -0.00006     -0.00004      0.00009      0.00001 
    -0.00007     -0.00991     -0.00190     -0.01123     -0.02713     -0.74021 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4164880335
 Log product of positive Hessian eigenvalues =          519.6047435249
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9545520154
 Unscaled step for mode    7=        0.0000000081
 Unscaled step for mode    8=        0.0000000088
 Unscaled step for mode    9=        0.0000000018
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000081
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000017
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000151
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000431
 Unscaled step for mode   20=       -0.0000000149
 Unscaled step for mode   21=       -0.0000000157
 Unscaled step for mode   22=        0.0000000246
 Unscaled step for mode   23=       -0.0000000034
 Unscaled step for mode   24=        0.0000000106
 Unscaled step for mode   25=        0.0000000632
 Unscaled step for mode   26=        0.0000001049
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000433
 Unscaled step for mode   29=       -0.0000000642
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000629
 Unscaled step for mode   32=        0.0000000293
 Unscaled step for mode   33=       -0.0000000493
 Unscaled step for mode   34=       -0.0000000523
 Unscaled step for mode   35=       -0.0000000919
 Unscaled step for mode   36=       -0.0000000797
 Unscaled step for mode   37=        0.0000000780
 Unscaled step for mode   38=       -0.0000000073
 Unscaled step for mode   39=        0.0000000865
 Unscaled step for mode   40=        0.0000000837
 Unscaled step for mode   41=        0.0000001878
 Unscaled step for mode   42=        0.0000000696
 Unscaled step for mode   43=        0.0000000825
 Unscaled step for mode   44=        0.0000001503
 Unscaled step for mode   45=       -0.0000000074
 Unscaled step for mode   46=       -0.0000001438
 Unscaled step for mode   47=        0.0000001443
 Unscaled step for mode   48=       -0.0000000312
 Unscaled step for mode   49=       -0.0000001450
 Unscaled step for mode   50=       -0.0000000458
 Unscaled step for mode   51=        0.0000000965
 Unscaled step for mode   52=        0.0000000298
 Unscaled step for mode   53=       -0.0000000834
 Unscaled step for mode   54=       -0.0000001255
 Unscaled step for mode   55=        0.0000001307
 Unscaled step for mode   56=        0.0000000399
 Unscaled step for mode   57=       -0.0000000841
 Unscaled step for mode   58=        0.0000001717
 Unscaled step for mode   59=        0.0000000274
 Unscaled step for mode   60=        0.0000001688
 Unscaled step for mode   61=       -0.0000002387
 Unscaled step for mode   62=       -0.0000001973
 Unscaled step for mode   63=       -0.0000001645
 Unscaled step for mode   64=        0.0000002611
 Unscaled step for mode   65=        0.0000001857
 Unscaled step for mode   66=       -0.0000001218
 Unscaled step for mode   67=        0.0000000898
 Unscaled step for mode   68=        0.0000000784
 Unscaled step for mode   69=       -0.0000000604
 Unscaled step for mode   70=        0.0000002681
 Unscaled step for mode   71=        0.0000000630
 Unscaled step for mode   72=       -0.0000006630
 Unscaled step for mode   73=       -0.0000002894
 Unscaled step for mode   74=        0.0000002646
 Unscaled step for mode   75=       -0.0000008521
 Unscaled step for mode   76=       -0.0000002403
 Unscaled step for mode   77=        0.0000004918
 Unscaled step for mode   78=       -0.0000001026
 Unscaled step for mode   79=       -0.0000000891
 Unscaled step for mode   80=       -0.0000002587
 Unscaled step for mode   81=        0.0000003097
 Unscaled step for mode   82=       -0.0000001260
 Unscaled step for mode   83=       -0.0000002007
 Unscaled step for mode   84=        0.0000006810
 Unscaled step for mode   85=       -0.0000005328
 Unscaled step for mode   86=        0.0000001911
 Unscaled step for mode   87=        0.0000006726
 Unscaled step for mode   88=       -0.0000001584
 Unscaled step for mode   89=        0.0000002662
 Unscaled step for mode   90=       -0.0000010694
 Unscaled step for mode   91=        0.0000003964
 Unscaled step for mode   92=        0.0000011076
 Unscaled step for mode   93=        0.0000002439
 Unscaled step for mode   94=       -0.0000010449
 Unscaled step for mode   95=       -0.0000003341
 Unscaled step for mode   96=        0.0000000246
 Unscaled step for mode   97=        0.0000010066
 Unscaled step for mode   98=        0.0000012647
 Unscaled step for mode   99=        0.0000033020
 Unscaled step for mode  100=        0.0000024219
 Unscaled step for mode  101=        0.0000007639
 Unscaled step for mode  102=        0.0000036390
 Unscaled step for mode  103=        0.0000012665
 Unscaled step for mode  104=        0.0000041146
 Unscaled step for mode  105=        0.0000028097
 Unscaled step for mode  106=        0.0000017076
 Unscaled step for mode  107=       -0.0000042048
 Unscaled step for mode  108=       -0.0000004733
 Unscaled step for mode  109=        0.0000051701
 Unscaled step for mode  110=        0.0008100768
 Unscaled step for mode  111=        0.0001905302
 Unscaled step for mode  112=        0.0012988412
 Unscaled step for mode  113=        0.0040225953
 Unscaled step for mode  114=       -0.1810437326
 Largest modulus ratio of non-zero e/values=           186.3242068    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.640113E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.125681E-14    0.100697E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.414599E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.315503E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.491478E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.659507E-15    0.973985E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.594213E-05    0.736829E+03  0.806447E-08 0.100000E-04    0.993909E+00
   8   -0.593247E-05    0.674023E+03  0.880159E-08 0.100000E-04    0.992263E+00
   9   -0.111408E-05    0.627634E+03  0.177505E-08 0.100000E-04    0.925603E+00
  10    0.239499E-05    0.603601E+03 -0.396783E-08 0.100000E-04    0.999813E+00
  11   -0.168331E-05    0.587738E+03  0.286406E-08 0.100000E-04    0.984960E+00
  12   -0.462561E-05    0.573774E+03  0.806174E-08 0.100000E-04    0.969239E+00
  13   -0.359239E-05    0.567091E+03  0.633476E-08 0.100000E-04    0.994538E+00
  14    0.839465E-06    0.484336E+03 -0.173323E-08 0.100000E-04    0.884697E+00
  15    0.188913E-05    0.463785E+03 -0.407328E-08 0.100000E-04    0.983029E+00
  16    0.697406E-05    0.460955E+03 -0.151296E-07 0.100000E-04    0.999383E+00
  17    0.456113E-05    0.441500E+03 -0.103310E-07 0.100000E-04    0.988832E+00
  18    0.479948E-05    0.429288E+03 -0.111801E-07 0.100000E-04    0.986011E+00
  19   -0.181876E-04    0.422014E+03  0.430972E-07 0.100000E-04    0.999538E+00
  20    0.609353E-05    0.408328E+03 -0.149231E-07 0.100000E-04    0.986025E+00
  21    0.625128E-05    0.397117E+03 -0.157416E-07 0.100000E-04    0.989567E+00
  22   -0.957680E-05    0.388714E+03  0.246371E-07 0.100000E-04    0.990410E+00
  23    0.125711E-05    0.368353E+03 -0.341279E-08 0.100000E-04    0.923096E+00
  24   -0.381590E-05    0.361290E+03  0.105619E-07 0.100000E-04    0.975985E+00
  25   -0.221494E-04    0.350440E+03  0.632046E-07 0.100000E-04    0.999681E+00
  26   -0.351907E-04    0.335380E+03  0.104928E-06 0.100000E-04    0.999259E+00
  27   -0.174707E-04    0.326704E+03  0.534757E-07 0.100000E-04    0.998923E+00
  28    0.139131E-04    0.321469E+03 -0.432797E-07 0.100000E-04    0.994846E+00
  29    0.205610E-04    0.320197E+03 -0.642136E-07 0.100000E-04    0.989427E+00
  30   -0.249857E-04    0.311496E+03  0.802120E-07 0.100000E-04    0.998208E+00
  31   -0.190595E-04    0.303212E+03  0.628587E-07 0.100000E-04    0.993950E+00
  32   -0.845719E-05    0.289104E+03  0.292531E-07 0.100000E-04    0.986406E+00
  33    0.137204E-04    0.278531E+03 -0.492597E-07 0.100000E-04    0.997372E+00
  34    0.141714E-04    0.271066E+03 -0.522803E-07 0.100000E-04    0.993940E+00
  35    0.245716E-04    0.267337E+03 -0.919126E-07 0.100000E-04    0.997563E+00
  36    0.210870E-04    0.264551E+03 -0.797088E-07 0.100000E-04    0.992475E+00
  37   -0.203113E-04    0.260477E+03  0.779776E-07 0.100000E-04    0.999710E+00
  38    0.185769E-05    0.253933E+03 -0.731567E-08 0.100000E-04    0.955622E+00
  39   -0.209318E-04    0.242028E+03  0.864849E-07 0.100000E-04    0.999551E+00
  40   -0.200077E-04    0.238945E+03  0.837336E-07 0.100000E-04    0.987205E+00
  41   -0.440344E-04    0.234421E+03  0.187843E-06 0.100000E-04    0.996087E+00
  42   -0.158943E-04    0.228241E+03  0.696385E-07 0.100000E-04    0.988083E+00
  43   -0.180766E-04    0.219059E+03  0.825196E-07 0.100000E-04    0.994165E+00
  44   -0.321835E-04    0.214172E+03  0.150269E-06 0.100000E-04    0.991507E+00
  45    0.157309E-05    0.212648E+03 -0.739761E-08 0.100000E-04    0.990726E+00
  46    0.297997E-04    0.207177E+03 -0.143837E-06 0.100000E-04    0.994862E+00
  47   -0.293769E-04    0.203567E+03  0.144311E-06 0.100000E-04    0.998664E+00
  48    0.615678E-05    0.197096E+03 -0.312375E-07 0.100000E-04    0.995023E+00
  49    0.282825E-04    0.195084E+03 -0.144975E-06 0.100000E-04    0.996361E+00
  50    0.875998E-05    0.191441E+03 -0.457582E-07 0.100000E-04    0.983884E+00
  51   -0.177340E-04    0.183754E+03  0.965095E-07 0.100000E-04    0.999686E+00
  52   -0.520992E-05    0.174550E+03  0.298477E-07 0.100000E-04    0.994401E+00
  53    0.143520E-04    0.172124E+03 -0.833820E-07 0.100000E-04    0.997797E+00
  54    0.210345E-04    0.167630E+03 -0.125482E-06 0.100000E-04    0.997790E+00
  55   -0.215213E-04    0.164608E+03  0.130742E-06 0.100000E-04    0.997406E+00
  56   -0.632084E-05    0.158421E+03  0.398990E-07 0.100000E-04    0.979895E+00
  57    0.129689E-04    0.154234E+03 -0.840856E-07 0.100000E-04    0.998384E+00
  58   -0.260349E-04    0.151640E+03  0.171690E-06 0.100000E-04    0.998397E+00
  59   -0.405655E-05    0.148182E+03  0.273755E-07 0.100000E-04    0.972723E+00
  60   -0.242034E-04    0.143386E+03  0.168799E-06 0.100000E-04    0.998694E+00
  61    0.327743E-04    0.137282E+03 -0.238737E-06 0.100000E-04    0.998887E+00
  62    0.268105E-04    0.135920E+03 -0.197252E-06 0.100000E-04    0.997867E+00
  63    0.214859E-04    0.130586E+03 -0.164535E-06 0.100000E-04    0.992980E+00
  64   -0.334956E-04    0.128297E+03  0.261080E-06 0.100000E-04    0.995899E+00
  65   -0.234547E-04    0.126289E+03  0.185723E-06 0.100000E-04    0.995990E+00
  66    0.152648E-04    0.125366E+03 -0.121762E-06 0.100000E-04    0.994448E+00
  67   -0.107594E-04    0.119831E+03  0.897883E-07 0.100000E-04    0.980250E+00
  68   -0.925618E-05    0.118112E+03  0.783679E-07 0.100000E-04    0.993660E+00
  69    0.707161E-05    0.117087E+03 -0.603964E-07 0.100000E-04    0.998046E+00
  70   -0.296910E-04    0.110737E+03  0.268121E-06 0.100000E-04    0.995109E+00
  71   -0.676828E-05    0.107501E+03  0.629599E-07 0.100000E-04    0.990391E+00
  72    0.693606E-04    0.104611E+03 -0.663031E-06 0.100000E-04    0.996355E+00
  73    0.298274E-04    0.103084E+03 -0.289351E-06 0.100000E-04    0.998779E+00
  74   -0.263829E-04    0.997210E+02  0.264567E-06 0.100000E-04    0.995908E+00
  75    0.816050E-04    0.957653E+02 -0.852135E-06 0.100000E-04    0.999691E+00
  76    0.226407E-04    0.942178E+02 -0.240301E-06 0.100000E-04    0.978821E+00
  77   -0.460057E-04    0.935441E+02  0.491807E-06 0.100000E-04    0.990433E+00
  78    0.930511E-05    0.907049E+02 -0.102587E-06 0.100000E-04    0.999157E+00
  79    0.796496E-05    0.894360E+02 -0.890577E-07 0.100000E-04    0.998082E+00
  80    0.220248E-04    0.851439E+02 -0.258677E-06 0.100000E-04    0.996956E+00
  81   -0.250512E-04    0.808981E+02  0.309663E-06 0.100000E-04    0.995460E+00
  82    0.100677E-04    0.799287E+02 -0.125958E-06 0.100000E-04    0.977596E+00
  83    0.157014E-04    0.782306E+02 -0.200706E-06 0.100000E-04    0.992694E+00
  84   -0.496533E-04    0.729077E+02  0.681043E-06 0.100000E-04    0.997821E+00
  85    0.386066E-04    0.724570E+02 -0.532821E-06 0.100000E-04    0.990462E+00
  86   -0.130442E-04    0.682458E+02  0.191135E-06 0.100000E-04    0.994845E+00
  87   -0.443440E-04    0.659340E+02  0.672551E-06 0.100000E-04    0.996599E+00
  88    0.997178E-05    0.629343E+02 -0.158447E-06 0.100000E-04    0.968797E+00
  89   -0.159534E-04    0.599355E+02  0.266177E-06 0.100000E-04    0.970702E+00
  90    0.637058E-04    0.595736E+02 -0.106936E-05 0.100000E-04    0.997063E+00
  91   -0.234056E-04    0.590403E+02  0.396434E-06 0.100000E-04    0.984264E+00
  92   -0.620830E-04    0.560500E+02  0.110764E-05 0.100000E-04    0.999249E+00
  93   -0.128366E-04    0.526370E+02  0.243870E-06 0.100000E-04    0.963089E+00
  94    0.546653E-04    0.523183E+02 -0.104486E-05 0.100000E-04    0.997478E+00
  95    0.167150E-04    0.500268E+02 -0.334121E-06 0.100000E-04    0.990281E+00
  96   -0.116206E-05    0.472721E+02  0.245824E-07 0.100000E-04    0.969576E+00
  97   -0.431589E-04    0.428768E+02  0.100658E-05 0.100000E-04    0.990967E+00
  98   -0.512511E-04    0.405258E+02  0.126465E-05 0.100000E-04    0.999082E+00
  99   -0.124267E-03    0.376344E+02  0.330196E-05 0.100000E-04    0.996137E+00
 100   -0.879357E-04    0.363080E+02  0.242193E-05 0.100000E-04    0.994203E+00
 101   -0.259566E-04    0.339785E+02  0.763911E-06 0.100000E-04    0.986520E+00
 102   -0.104786E-03    0.287954E+02  0.363897E-05 0.100000E-04    0.999517E+00
 103   -0.362048E-04    0.285859E+02  0.126653E-05 0.100000E-04    0.987175E+00
 104   -0.111406E-03    0.270757E+02  0.411461E-05 0.100000E-04    0.990989E+00
 105   -0.648705E-04    0.230882E+02  0.280968E-05 0.100000E-04    0.995185E+00
 106   -0.359606E-04    0.210586E+02  0.170765E-05 0.100000E-04    0.995841E+00
 107    0.866501E-04    0.206076E+02 -0.420477E-05 0.100000E-04    0.984445E+00
 108    0.794166E-05    0.167779E+02 -0.473340E-06 0.100000E-04    0.884960E+00
 109   -0.714240E-04    0.138148E+02  0.517012E-05 0.100000E-04    0.986873E+00
 110   -0.991475E-02    0.122393E+02  0.100000E-04 0.100000E-04    0.455114E+00
 111   -0.189937E-02    0.996887E+01  0.100000E-04 0.100000E-04    0.665413E+00
 112   -0.112300E-01    0.864618E+01  0.136660E-04 0.136660E-04    0.264056E+00
 113   -0.271334E-01    0.674515E+01  0.232346E-04 0.232346E-04    0.213847E+00
 114   -0.740209E+00    0.395455E+01 -0.400000E-03 0.400000E-03    0.104355E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1810437326    

 Beginning of optimization cycle  384.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3414034780
 potential> RMS force:                                               0.0695348921   |gradient|=.7424294840    
 Eigenvalues of the Hessian matrix:
   736.89317    674.03055    627.64690    603.58837    587.72814    573.81632 
   567.09192    484.36242    463.76215    460.94939    441.50276    429.28124 
   422.01599    408.33393    397.11232    388.71061    368.36215    361.28231 
   350.43255    335.36925    326.71975    321.47144    320.19036    311.47693 
   303.19638    289.11435    278.52706    271.07382    267.34485    264.55524 
   260.49545    253.93159    242.02370    238.95828    234.41033    228.23471 
   219.03774    214.17968    212.65510    207.17560    203.56598    197.08687 
   195.08073    191.43881    183.74440    174.54092    172.12808    167.63239 
   164.59966    158.40965    154.23918    151.64542    148.17259    143.38819 
   137.28584    135.92103    130.58445    128.30104    126.29260    125.36064 
   119.83293    118.11263    117.08762    110.73237    107.49525    104.60871 
   103.08303     99.72008     95.76504     94.20325     93.55458     90.70877 
    89.43005     85.14680     80.89768     79.93087     78.22938     72.91067 
    72.46146     68.24493     65.92296     62.92733     59.93537     59.56835 
    59.03822     56.04996     52.63486     52.31852     50.02620     47.26617 
    42.87747     40.52851     37.63812     36.31035     33.96610     28.79512 
    28.58454     27.06791     23.09031     21.05366     20.60967     16.77693 
    13.81529     12.23920      9.97030      8.64227      6.73681      3.94906 
overlap for current and previous eigenvector    109 is         0.9999997562
overlap for current and previous eigenvector    110 is         0.9999996138
overlap for current and previous eigenvector    111 is        -0.9999995864
overlap for current and previous eigenvector    112 is         0.9999964676
overlap for current and previous eigenvector    113 is         0.9999966193
overlap for current and previous eigenvector    114 is         0.9999997167
J1,K1,R1,R2,RAT=   7   7   -0.5239949585E-02     2.005065166        0.9947600504    
FOB,PFOB,DIAG,PSTEP=   -0.5973270848E-05   -0.5942131657E-05     736.8931660        0.8064467510E-08
J1,K1,R1,R2,RAT=   8   8    0.1657871553E-02     1.998319459        0.9983194590    
FOB,PFOB,DIAG,PSTEP=   -0.5922637704E-05   -0.5932473094E-05     674.0305534        0.8801589642E-08
J1,K1,R1,R2,RAT=   9   9    0.4886423718E-01     1.951094234        0.9510942338    
FOB,PFOB,DIAG,PSTEP=   -0.1059639382E-05   -0.1114079139E-05     627.6468952        0.1775046259E-08
J1,K1,R1,R2,RAT=  10  10   -0.1010064448E-01     2.010143089        0.9898993555    
FOB,PFOB,DIAG,PSTEP=    0.2419175487E-05    0.2394985107E-05     603.5883728       -0.3967827064E-08
J1,K1,R1,R2,RAT=  11  11   -0.3049293156E-01     2.030525687        0.9695070684    
FOB,PFOB,DIAG,PSTEP=   -0.1734642292E-05   -0.1683313956E-05     587.7281441        0.2864056119E-08
J1,K1,R1,R2,RAT= 109 109    0.1774036109E-01     1.982182790        0.9821827899    
FOB,PFOB,DIAG,PSTEP=   -0.7015684889E-04   -0.7142398486E-04     13.81529226        0.5170120767E-05
J1,K1,R1,R2,RAT= 110 110   -0.5593110563         162.5756621        0.4406889437    
FOB,PFOB,DIAG,PSTEP=   -0.9983209950E-02   -0.9914754737E-02     12.23920262        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     37.75602841        0.3445367161        0.6554632839    
FOB,PFOB,DIAG,PSTEP=    0.1865019094E-02   -0.1899370440E-02     9.970300616        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8408139363         191.0106718        0.1591860637    
FOB,PFOB,DIAG,PSTEP=   -0.1132934326E-01   -0.1123003864E-01     8.642268844        0.1366601182E-04
J1,K1,R1,R2,RAT= 113 113   -0.8679124652         347.5615010        0.1320875348    
FOB,PFOB,DIAG,PSTEP=   -0.2726928128E-01   -0.2713342967E-01     6.736812853        0.2323455690E-04
J1,K1,R1,R2,RAT= 114 114    0.9900170528        -938.1864359        0.9982947182E-02
FOB,PFOB,DIAG,PSTEP=   -0.7417724037       -0.7402085500         3.949057716       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
     0.00002     -0.00001      0.00001      0.00003      0.00000     -0.00002 
    -0.00003     -0.00003     -0.00002      0.00003      0.00002      0.00002 
    -0.00001     -0.00001     -0.00001     -0.00003     -0.00001      0.00007 
    -0.00003      0.00003      0.00008      0.00002      0.00005      0.00001 
    -0.00001     -0.00002     -0.00003      0.00001      0.00002     -0.00005 
     0.00004     -0.00001      0.00004     -0.00001      0.00002     -0.00006 
     0.00002      0.00006      0.00001      0.00005     -0.00002      0.00000 
    -0.00004      0.00005     -0.00012      0.00009     -0.00003      0.00011 
     0.00004      0.00011     -0.00007      0.00004      0.00009     -0.00001 
    -0.00007     -0.00998      0.00187     -0.01133     -0.02727     -0.74177 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4162863783
 Log product of positive Hessian eigenvalues =          519.6005552599
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9490577165
 Unscaled step for mode    7=        0.0000000081
 Unscaled step for mode    8=        0.0000000088
 Unscaled step for mode    9=        0.0000000017
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000079
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000017
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000152
 Unscaled step for mode   17=       -0.0000000105
 Unscaled step for mode   18=       -0.0000000114
 Unscaled step for mode   19=        0.0000000433
 Unscaled step for mode   20=       -0.0000000150
 Unscaled step for mode   21=       -0.0000000158
 Unscaled step for mode   22=        0.0000000246
 Unscaled step for mode   23=       -0.0000000032
 Unscaled step for mode   24=        0.0000000105
 Unscaled step for mode   25=        0.0000000635
 Unscaled step for mode   26=        0.0000001051
 Unscaled step for mode   27=        0.0000000536
 Unscaled step for mode   28=       -0.0000000433
 Unscaled step for mode   29=       -0.0000000649
 Unscaled step for mode   30=        0.0000000799
 Unscaled step for mode   31=        0.0000000630
 Unscaled step for mode   32=        0.0000000291
 Unscaled step for mode   33=       -0.0000000494
 Unscaled step for mode   34=       -0.0000000525
 Unscaled step for mode   35=       -0.0000000917
 Unscaled step for mode   36=       -0.0000000795
 Unscaled step for mode   37=        0.0000000782
 Unscaled step for mode   38=       -0.0000000074
 Unscaled step for mode   39=        0.0000000867
 Unscaled step for mode   40=        0.0000000840
 Unscaled step for mode   41=        0.0000001878
 Unscaled step for mode   42=        0.0000000694
 Unscaled step for mode   43=        0.0000000826
 Unscaled step for mode   44=        0.0000001502
 Unscaled step for mode   45=       -0.0000000077
 Unscaled step for mode   46=       -0.0000001441
 Unscaled step for mode   47=        0.0000001437
 Unscaled step for mode   48=       -0.0000000317
 Unscaled step for mode   49=       -0.0000001450
 Unscaled step for mode   50=       -0.0000000466
 Unscaled step for mode   51=        0.0000000968
 Unscaled step for mode   52=       -0.0000000302
 Unscaled step for mode   53=        0.0000000840
 Unscaled step for mode   54=        0.0000001261
 Unscaled step for mode   55=       -0.0000001306
 Unscaled step for mode   56=        0.0000000390
 Unscaled step for mode   57=       -0.0000000852
 Unscaled step for mode   58=       -0.0000001718
 Unscaled step for mode   59=       -0.0000000273
 Unscaled step for mode   60=        0.0000001696
 Unscaled step for mode   61=        0.0000002407
 Unscaled step for mode   62=        0.0000001967
 Unscaled step for mode   63=        0.0000001654
 Unscaled step for mode   64=       -0.0000002623
 Unscaled step for mode   65=       -0.0000001877
 Unscaled step for mode   66=       -0.0000001209
 Unscaled step for mode   67=        0.0000000889
 Unscaled step for mode   68=        0.0000000789
 Unscaled step for mode   69=        0.0000000611
 Unscaled step for mode   70=        0.0000002676
 Unscaled step for mode   71=        0.0000000625
 Unscaled step for mode   72=       -0.0000006650
 Unscaled step for mode   73=        0.0000002904
 Unscaled step for mode   74=       -0.0000002647
 Unscaled step for mode   75=       -0.0000008541
 Unscaled step for mode   76=       -0.0000002451
 Unscaled step for mode   77=       -0.0000004897
 Unscaled step for mode   78=       -0.0000001060
 Unscaled step for mode   79=        0.0000000886
 Unscaled step for mode   80=        0.0000002593
 Unscaled step for mode   81=        0.0000003096
 Unscaled step for mode   82=       -0.0000001265
 Unscaled step for mode   83=       -0.0000002021
 Unscaled step for mode   84=        0.0000006857
 Unscaled step for mode   85=       -0.0000005340
 Unscaled step for mode   86=        0.0000001955
 Unscaled step for mode   87=       -0.0000006770
 Unscaled step for mode   88=        0.0000001559
 Unscaled step for mode   89=       -0.0000002561
 Unscaled step for mode   90=        0.0000010758
 Unscaled step for mode   91=       -0.0000004108
 Unscaled step for mode   92=       -0.0000011078
 Unscaled step for mode   93=       -0.0000002389
 Unscaled step for mode   94=       -0.0000010466
 Unscaled step for mode   95=        0.0000003325
 Unscaled step for mode   96=       -0.0000000174
 Unscaled step for mode   97=        0.0000010196
 Unscaled step for mode   98=       -0.0000012739
 Unscaled step for mode   99=        0.0000033160
 Unscaled step for mode  100=       -0.0000024286
 Unscaled step for mode  101=        0.0000007853
 Unscaled step for mode  102=       -0.0000036514
 Unscaled step for mode  103=       -0.0000012679
 Unscaled step for mode  104=       -0.0000041141
 Unscaled step for mode  105=        0.0000028459
 Unscaled step for mode  106=       -0.0000018201
 Unscaled step for mode  107=       -0.0000042029
 Unscaled step for mode  108=        0.0000005786
 Unscaled step for mode  109=        0.0000050782
 Unscaled step for mode  110=        0.0008156743
 Unscaled step for mode  111=       -0.0001870575
 Unscaled step for mode  112=        0.0013109201
 Unscaled step for mode  113=        0.0040477352
 Unscaled step for mode  114=       -0.1816381502
 Largest modulus ratio of non-zero e/values=           186.5997458    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.122081E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.796780E-15    0.100697E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.895985E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.947471E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.291474E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.360619E-15    0.973987E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.597327E-05    0.736893E+03  0.810602E-08 0.100000E-04    0.994760E+00
   8   -0.592264E-05    0.674031E+03  0.878690E-08 0.100000E-04    0.998319E+00
   9   -0.105964E-05    0.627647E+03  0.168827E-08 0.100000E-04    0.951094E+00
  10    0.241918E-05    0.603588E+03 -0.400799E-08 0.100000E-04    0.989899E+00
  11   -0.173464E-05    0.587728E+03  0.295144E-08 0.100000E-04    0.969507E+00
  12   -0.455695E-05    0.573816E+03  0.794148E-08 0.100000E-04    0.985009E+00
  13   -0.361841E-05    0.567092E+03  0.638064E-08 0.100000E-04    0.992756E+00
  14    0.838117E-06    0.484362E+03 -0.173035E-08 0.100000E-04    0.998284E+00
  15    0.193827E-05    0.463762E+03 -0.417944E-08 0.100000E-04    0.973988E+00
  16    0.701539E-05    0.460949E+03 -0.152194E-07 0.100000E-04    0.994073E+00
  17    0.463176E-05    0.441503E+03 -0.104909E-07 0.100000E-04    0.984515E+00
  18    0.487573E-05    0.429281E+03 -0.113579E-07 0.100000E-04    0.984112E+00
  19   -0.182597E-04    0.422016E+03  0.432679E-07 0.100000E-04    0.996032E+00
  20    0.614113E-05    0.408334E+03 -0.150395E-07 0.100000E-04    0.992188E+00
  21    0.629070E-05    0.397112E+03 -0.158411E-07 0.100000E-04    0.993693E+00
  22   -0.955713E-05    0.388711E+03  0.245868E-07 0.100000E-04    0.997947E+00
  23    0.116752E-05    0.368362E+03 -0.316950E-08 0.100000E-04    0.928685E+00
  24   -0.379266E-05    0.361282E+03  0.104978E-07 0.100000E-04    0.993907E+00
  25   -0.222479E-04    0.350433E+03  0.634868E-07 0.100000E-04    0.995556E+00
  26   -0.352511E-04    0.335369E+03  0.105111E-06 0.100000E-04    0.998284E+00
  27   -0.175285E-04    0.326720E+03  0.536499E-07 0.100000E-04    0.996694E+00
  28    0.139119E-04    0.321471E+03 -0.432757E-07 0.100000E-04    0.999901E+00
  29    0.207763E-04    0.320190E+03 -0.648873E-07 0.100000E-04    0.989530E+00
  30   -0.248885E-04    0.311477E+03  0.799047E-07 0.100000E-04    0.996109E+00
  31   -0.191016E-04    0.303196E+03  0.630009E-07 0.100000E-04    0.997791E+00
  32   -0.841166E-05    0.289114E+03  0.290946E-07 0.100000E-04    0.994546E+00
  33    0.137557E-04    0.278527E+03 -0.493875E-07 0.100000E-04    0.997421E+00
  34    0.142415E-04    0.271074E+03 -0.525373E-07 0.100000E-04    0.995052E+00
  35    0.245165E-04    0.267345E+03 -0.917035E-07 0.100000E-04    0.997696E+00
  36    0.210262E-04    0.264555E+03 -0.794774E-07 0.100000E-04    0.997080E+00
  37   -0.203817E-04    0.260495E+03  0.782420E-07 0.100000E-04    0.996538E+00
  38    0.188987E-05    0.253932E+03 -0.744245E-08 0.100000E-04    0.982674E+00
  39   -0.209937E-04    0.242024E+03  0.867425E-07 0.100000E-04    0.997040E+00
  40   -0.200662E-04    0.238958E+03  0.839735E-07 0.100000E-04    0.997080E+00
  41   -0.440335E-04    0.234410E+03  0.187848E-06 0.100000E-04    0.999979E+00
  42   -0.158304E-04    0.228235E+03  0.693603E-07 0.100000E-04    0.995978E+00
  43   -0.180964E-04    0.219038E+03  0.826177E-07 0.100000E-04    0.998905E+00
  44   -0.321597E-04    0.214180E+03  0.150153E-06 0.100000E-04    0.999192E+00
  45    0.163824E-05    0.212655E+03 -0.770373E-08 0.100000E-04    0.958587E+00
  46    0.298461E-04    0.207176E+03 -0.144062E-06 0.100000E-04    0.998442E+00
  47   -0.292556E-04    0.203566E+03  0.143715E-06 0.100000E-04    0.995870E+00
  48    0.624953E-05    0.197087E+03 -0.317095E-07 0.100000E-04    0.984934E+00
  49    0.282929E-04    0.195081E+03 -0.145032E-06 0.100000E-04    0.999632E+00
  50    0.892732E-05    0.191439E+03 -0.466328E-07 0.100000E-04    0.980897E+00
  51   -0.177880E-04    0.183744E+03  0.968082E-07 0.100000E-04    0.996957E+00
  52    0.527043E-05    0.174541E+03 -0.301960E-07 0.100000E-04    0.988384E+00
  53   -0.144511E-04    0.172128E+03  0.839552E-07 0.100000E-04    0.993099E+00
  54   -0.211318E-04    0.167632E+03  0.126060E-06 0.100000E-04    0.995373E+00
  55    0.215039E-04    0.164600E+03 -0.130643E-06 0.100000E-04    0.999192E+00
  56   -0.618188E-05    0.158410E+03  0.390246E-07 0.100000E-04    0.978015E+00
  57    0.131369E-04    0.154239E+03 -0.851725E-07 0.100000E-04    0.987041E+00
  58    0.260500E-04    0.151645E+03 -0.171782E-06 0.100000E-04    0.999421E+00
  59    0.404093E-05    0.148173E+03 -0.272718E-07 0.100000E-04    0.996149E+00
  60   -0.243142E-04    0.143388E+03  0.169569E-06 0.100000E-04    0.995421E+00
  61   -0.330420E-04    0.137286E+03  0.240680E-06 0.100000E-04    0.991833E+00
  62   -0.267296E-04    0.135921E+03  0.196656E-06 0.100000E-04    0.996970E+00
  63   -0.215921E-04    0.130584E+03  0.165350E-06 0.100000E-04    0.995057E+00
  64    0.336597E-04    0.128301E+03 -0.262349E-06 0.100000E-04    0.995101E+00
  65    0.237002E-04    0.126293E+03 -0.187661E-06 0.100000E-04    0.989531E+00
  66    0.151520E-04    0.125361E+03 -0.120867E-06 0.100000E-04    0.992612E+00
  67   -0.106589E-04    0.119833E+03  0.889477E-07 0.100000E-04    0.990625E+00
  68   -0.932430E-05    0.118113E+03  0.789441E-07 0.100000E-04    0.992641E+00
  69   -0.715276E-05    0.117088E+03  0.610889E-07 0.100000E-04    0.988525E+00
  70   -0.296372E-04    0.110732E+03  0.267647E-06 0.100000E-04    0.998188E+00
  71   -0.671836E-05    0.107495E+03  0.624991E-07 0.100000E-04    0.992624E+00
  72    0.695689E-04    0.104609E+03 -0.665039E-06 0.100000E-04    0.996997E+00
  73   -0.299322E-04    0.103083E+03  0.290370E-06 0.100000E-04    0.996485E+00
  74    0.263954E-04    0.997201E+02 -0.264695E-06 0.100000E-04    0.999524E+00
  75    0.817954E-04    0.957650E+02 -0.854126E-06 0.100000E-04    0.997666E+00
  76    0.230905E-04    0.942032E+02 -0.245114E-06 0.100000E-04    0.980128E+00
  77    0.458172E-04    0.935546E+02 -0.489738E-06 0.100000E-04    0.995680E+00
  78    0.961239E-05    0.907088E+02 -0.105970E-06 0.100000E-04    0.966979E+00
  79   -0.792469E-05    0.894300E+02  0.886133E-07 0.100000E-04    0.994945E+00
  80   -0.220805E-04    0.851468E+02  0.259322E-06 0.100000E-04    0.997473E+00
  81   -0.250462E-04    0.808977E+02  0.309604E-06 0.100000E-04    0.999802E+00
  82    0.101128E-04    0.799309E+02 -0.126520E-06 0.100000E-04    0.995515E+00
  83    0.158117E-04    0.782294E+02 -0.202120E-06 0.100000E-04    0.992971E+00
  84   -0.499951E-04    0.729107E+02  0.685704E-06 0.100000E-04    0.993115E+00
  85    0.386976E-04    0.724615E+02 -0.534044E-06 0.100000E-04    0.997643E+00
  86   -0.133407E-04    0.682449E+02  0.195483E-06 0.100000E-04    0.977264E+00
  87    0.446309E-04    0.659230E+02 -0.677016E-06 0.100000E-04    0.993529E+00
  88   -0.980747E-05    0.629273E+02  0.155854E-06 0.100000E-04    0.983521E+00
  89    0.153470E-04    0.599354E+02 -0.256060E-06 0.100000E-04    0.961989E+00
  90   -0.640850E-04    0.595683E+02  0.107582E-05 0.100000E-04    0.994046E+00
  91    0.242538E-04    0.590382E+02 -0.410815E-06 0.100000E-04    0.963759E+00
  92    0.620940E-04    0.560500E+02 -0.110783E-05 0.100000E-04    0.999823E+00
  93    0.125734E-04    0.526349E+02 -0.238879E-06 0.100000E-04    0.979492E+00
  94    0.547584E-04    0.523185E+02 -0.104663E-05 0.100000E-04    0.998298E+00
  95   -0.166340E-04    0.500262E+02  0.332505E-06 0.100000E-04    0.995151E+00
  96    0.824169E-06    0.472662E+02 -0.174368E-07 0.100000E-04    0.709194E+00
  97   -0.437177E-04    0.428775E+02  0.101960E-05 0.100000E-04    0.987051E+00
  98    0.516307E-04    0.405285E+02 -0.127394E-05 0.100000E-04    0.992593E+00
  99   -0.124807E-03    0.376381E+02  0.331598E-05 0.100000E-04    0.995656E+00
 100    0.881827E-04    0.363103E+02 -0.242858E-05 0.100000E-04    0.997191E+00
 101   -0.266726E-04    0.339661E+02  0.785272E-06 0.100000E-04    0.972404E+00
 102    0.105143E-03    0.287951E+02 -0.365141E-05 0.100000E-04    0.996592E+00
 103    0.362428E-04    0.285845E+02 -0.126792E-05 0.100000E-04    0.998949E+00
 104    0.111360E-03    0.270679E+02 -0.411408E-05 0.100000E-04    0.999585E+00
 105   -0.657120E-04    0.230903E+02  0.284587E-05 0.100000E-04    0.987029E+00
 106    0.383202E-04    0.210537E+02 -0.182012E-05 0.100000E-04    0.934370E+00
 107    0.866195E-04    0.206097E+02 -0.420286E-05 0.100000E-04    0.999442E+00
 108   -0.970664E-05    0.167769E+02  0.578571E-06 0.100000E-04    0.777744E+00
 109   -0.701568E-04    0.138153E+02  0.507820E-05 0.100000E-04    0.982183E+00
 110   -0.998321E-02    0.122392E+02  0.100000E-04 0.100000E-04    0.440689E+00
 111    0.186502E-02    0.997030E+01 -0.100000E-04 0.100000E-04    0.655463E+00
 112   -0.113293E-01    0.864227E+01  0.148960E-04 0.148960E-04    0.159186E+00
 113   -0.272693E-01    0.673681E+01  0.253257E-04 0.253257E-04    0.132088E+00
 114   -0.741772E+00    0.394906E+01 -0.400000E-03 0.400000E-03    0.998295E-02
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1816381502    

 Beginning of optimization cycle  385.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3411074285
 potential> RMS force:                                               0.0696816449   |gradient|=.7439963751    
 Eigenvalues of the Hessian matrix:
   736.95768    674.03804    627.66017    603.57531    587.71848    573.85885 
   567.09222    484.38907    463.73879    460.94329    441.50531    429.27463 
   422.01834    408.33921    397.10720    388.70709    368.37171    361.27422 
   350.42488    335.35875    326.73587    321.47409    320.18357    311.45808 
   303.18069    289.12461    278.52306    271.08220    267.35273    264.55981 
   260.51450    253.93050    242.01910    238.97157    234.39940    228.22854 
   219.01695    214.18705    212.66192    207.17440    203.56503    197.07793 
   195.07702    191.43709    183.73486    174.53210    172.13255    167.63482 
   164.59083    158.39820    154.24422    151.65131    148.16291    143.39021 
   137.28976    135.92204    130.58298    128.30559    126.29665    125.35536 
   119.83452    118.11334    117.08853    110.72737    107.48911    104.60611 
   103.08235     99.71920     95.76484     94.18861     93.56498     90.71267 
    89.42410     85.14980     80.89727     79.93309     78.22820     72.91366 
    72.46582     68.24400     65.91190     62.92026     59.93535     59.56311 
    59.03609     56.04991     52.63276     52.31871     50.02562     47.26023 
    42.87821     40.53124     37.64186     36.31265     33.95365     28.79485 
    28.58323     27.06019     23.09239     21.04882     20.61167     16.77594 
    13.81583     12.23914      9.97172      8.63856      6.72849      3.94355 
overlap for current and previous eigenvector    109 is         0.9999997606
overlap for current and previous eigenvector    110 is        -0.9999996170
overlap for current and previous eigenvector    111 is        -0.9999995954
overlap for current and previous eigenvector    112 is        -0.9999966503
overlap for current and previous eigenvector    113 is        -0.9999967821
overlap for current and previous eigenvector    114 is        -0.9999997060
J1,K1,R1,R2,RAT=   7   7   -0.6091616988E-02     2.005916523        0.9939083830    
FOB,PFOB,DIAG,PSTEP=   -0.6009660912E-05   -0.5973270848E-05     736.9576845        0.8106020145E-08
J1,K1,R1,R2,RAT=   8   8   -0.7591913373E-02     2.007569690        0.9924080866    
FOB,PFOB,DIAG,PSTEP=   -0.5967602356E-05   -0.5922637704E-05     674.0380430        0.8786897973E-08
J1,K1,R1,R2,RAT=   9   9   -0.7183099012E-01     2.071788702        0.9281690099    
FOB,PFOB,DIAG,PSTEP=   -0.1135755937E-05   -0.1059639382E-05     627.6601665        0.1688273119E-08
J1,K1,R1,R2,RAT=  10  10    0.4357488888E-03     1.999607530        0.9995642511    
FOB,PFOB,DIAG,PSTEP=    0.2418121357E-05    0.2419175487E-05     603.5753119       -0.4007988881E-08
J1,K1,R1,R2,RAT=  11  11    0.1500740919E-01     1.985025473        0.9849925908    
FOB,PFOB,DIAG,PSTEP=   -0.1708610234E-05   -0.1734642292E-05     587.7184813        0.2951436493E-08
J1,K1,R1,R2,RAT= 109 109   -0.1232164362E-01     2.012243445        0.9876783564    
FOB,PFOB,DIAG,PSTEP=   -0.7102133038E-04   -0.7015684889E-04     13.81583245        0.5078202298E-05
J1,K1,R1,R2,RAT= 110 110     163.6843747       -0.5485659061        0.4514340939    
FOB,PFOB,DIAG,PSTEP=    0.1005034970E-01   -0.9983209950E-02     12.23913992        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     37.06650145        0.3396652528        0.6603347472    
FOB,PFOB,DIAG,PSTEP=   -0.1831148626E-02    0.1865019094E-02     9.971719948       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     176.8470304       -0.7609530077        0.2390469923    
FOB,PFOB,DIAG,PSTEP=    0.1142726239E-01   -0.1132934326E-01     8.638561355        0.1489595288E-04
J1,K1,R1,R2,RAT= 113 113     320.8665576       -0.8109701342        0.1890298658    
FOB,PFOB,DIAG,PSTEP=    0.2740747336E-01   -0.2726928128E-01     6.728486438        0.2532566703E-04
J1,K1,R1,R2,RAT= 114 114    -941.4782930        0.9895116842        0.1048831575E-01
FOB,PFOB,DIAG,PSTEP=    0.7433332782       -0.7417724037         3.943547326       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
    -0.00002      0.00001     -0.00001     -0.00003      0.00000      0.00002 
     0.00003      0.00003      0.00002     -0.00003     -0.00002      0.00002 
     0.00001     -0.00001     -0.00001     -0.00003     -0.00001     -0.00007 
     0.00003      0.00003      0.00008      0.00002     -0.00005      0.00001 
    -0.00001      0.00002      0.00003      0.00001     -0.00002      0.00005 
    -0.00004      0.00001     -0.00004      0.00001     -0.00001      0.00006 
    -0.00002      0.00006     -0.00001      0.00005      0.00002      0.00000 
     0.00004      0.00005      0.00012     -0.00009     -0.00003      0.00011 
     0.00004      0.00011     -0.00007      0.00004      0.00009     -0.00001 
    -0.00007      0.01005     -0.00183      0.01143      0.02741      0.74333 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4160817940
 Log product of positive Hessian eigenvalues =          519.5963840751
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9435473260
 Unscaled step for mode    7=        0.0000000082
 Unscaled step for mode    8=        0.0000000089
 Unscaled step for mode    9=        0.0000000018
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000082
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000019
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000152
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000433
 Unscaled step for mode   20=       -0.0000000148
 Unscaled step for mode   21=       -0.0000000157
 Unscaled step for mode   22=        0.0000000248
 Unscaled step for mode   23=       -0.0000000034
 Unscaled step for mode   24=        0.0000000108
 Unscaled step for mode   25=        0.0000000635
 Unscaled step for mode   26=        0.0000001052
 Unscaled step for mode   27=        0.0000000536
 Unscaled step for mode   28=       -0.0000000431
 Unscaled step for mode   29=       -0.0000000656
 Unscaled step for mode   30=        0.0000000800
 Unscaled step for mode   31=        0.0000000634
 Unscaled step for mode   32=        0.0000000295
 Unscaled step for mode   33=       -0.0000000495
 Unscaled step for mode   34=       -0.0000000528
 Unscaled step for mode   35=       -0.0000000919
 Unscaled step for mode   36=       -0.0000000800
 Unscaled step for mode   37=        0.0000000783
 Unscaled step for mode   38=       -0.0000000078
 Unscaled step for mode   39=        0.0000000868
 Unscaled step for mode   40=        0.0000000850
 Unscaled step for mode   41=        0.0000001886
 Unscaled step for mode   42=        0.0000000702
 Unscaled step for mode   43=        0.0000000831
 Unscaled step for mode   44=        0.0000001514
 Unscaled step for mode   45=       -0.0000000078
 Unscaled step for mode   46=       -0.0000001448
 Unscaled step for mode   47=        0.0000001439
 Unscaled step for mode   48=       -0.0000000316
 Unscaled step for mode   49=       -0.0000001456
 Unscaled step for mode   50=       -0.0000000459
 Unscaled step for mode   51=        0.0000000968
 Unscaled step for mode   52=       -0.0000000304
 Unscaled step for mode   53=        0.0000000838
 Unscaled step for mode   54=        0.0000001263
 Unscaled step for mode   55=        0.0000001310
 Unscaled step for mode   56=       -0.0000000398
 Unscaled step for mode   57=        0.0000000850
 Unscaled step for mode   58=        0.0000001721
 Unscaled step for mode   59=       -0.0000000280
 Unscaled step for mode   60=       -0.0000001694
 Unscaled step for mode   61=       -0.0000002404
 Unscaled step for mode   62=       -0.0000001962
 Unscaled step for mode   63=       -0.0000001642
 Unscaled step for mode   64=        0.0000002634
 Unscaled step for mode   65=        0.0000001869
 Unscaled step for mode   66=       -0.0000001202
 Unscaled step for mode   67=       -0.0000000907
 Unscaled step for mode   68=        0.0000000784
 Unscaled step for mode   69=        0.0000000610
 Unscaled step for mode   70=        0.0000002690
 Unscaled step for mode   71=        0.0000000631
 Unscaled step for mode   72=        0.0000006674
 Unscaled step for mode   73=       -0.0000002900
 Unscaled step for mode   74=       -0.0000002636
 Unscaled step for mode   75=       -0.0000008543
 Unscaled step for mode   76=       -0.0000002500
 Unscaled step for mode   77=        0.0000004849
 Unscaled step for mode   78=       -0.0000001059
 Unscaled step for mode   79=        0.0000000884
 Unscaled step for mode   80=       -0.0000002586
 Unscaled step for mode   81=       -0.0000003110
 Unscaled step for mode   82=       -0.0000001293
 Unscaled step for mode   83=        0.0000002007
 Unscaled step for mode   84=       -0.0000006871
 Unscaled step for mode   85=        0.0000005290
 Unscaled step for mode   86=       -0.0000001965
 Unscaled step for mode   87=        0.0000006750
 Unscaled step for mode   88=       -0.0000001605
 Unscaled step for mode   89=        0.0000002488
 Unscaled step for mode   90=       -0.0000010721
 Unscaled step for mode   91=        0.0000004173
 Unscaled step for mode   92=       -0.0000011071
 Unscaled step for mode   93=        0.0000002295
 Unscaled step for mode   94=       -0.0000010492
 Unscaled step for mode   95=       -0.0000003293
 Unscaled step for mode   96=       -0.0000000169
 Unscaled step for mode   97=       -0.0000010107
 Unscaled step for mode   98=       -0.0000012729
 Unscaled step for mode   99=       -0.0000033035
 Unscaled step for mode  100=        0.0000024145
 Unscaled step for mode  101=        0.0000007750
 Unscaled step for mode  102=       -0.0000036492
 Unscaled step for mode  103=       -0.0000012832
 Unscaled step for mode  104=       -0.0000041502
 Unscaled step for mode  105=        0.0000028314
 Unscaled step for mode  106=       -0.0000018128
 Unscaled step for mode  107=       -0.0000041368
 Unscaled step for mode  108=        0.0000005198
 Unscaled step for mode  109=        0.0000051406
 Unscaled step for mode  110=       -0.0008211641
 Unscaled step for mode  111=        0.0001836342
 Unscaled step for mode  112=       -0.0013228178
 Unscaled step for mode  113=       -0.0040732814
 Unscaled step for mode  114=        0.1822338454
 Largest modulus ratio of non-zero e/values=           186.8768455    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.139428E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.778674E-15    0.100697E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.412485E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.183829E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.598480E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.333690E-15    0.973989E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.600966E-05    0.736958E+03  0.815469E-08 0.100000E-04    0.993908E+00
   8   -0.596760E-05    0.674038E+03  0.885351E-08 0.100000E-04    0.992408E+00
   9   -0.113576E-05    0.627660E+03  0.180951E-08 0.100000E-04    0.928169E+00
  10    0.241812E-05    0.603575E+03 -0.400633E-08 0.100000E-04    0.999564E+00
  11   -0.170861E-05    0.587718E+03  0.290719E-08 0.100000E-04    0.984993E+00
  12   -0.469064E-05    0.573859E+03  0.817385E-08 0.100000E-04    0.970666E+00
  13   -0.359851E-05    0.567092E+03  0.634555E-08 0.100000E-04    0.994499E+00
  14    0.922192E-06    0.484389E+03 -0.190382E-08 0.100000E-04    0.899691E+00
  15    0.190738E-05    0.463739E+03 -0.411305E-08 0.100000E-04    0.984065E+00
  16    0.701304E-05    0.460943E+03 -0.152145E-07 0.100000E-04    0.999664E+00
  17    0.457689E-05    0.441505E+03 -0.103666E-07 0.100000E-04    0.988143E+00
  18    0.481282E-05    0.429275E+03 -0.112115E-07 0.100000E-04    0.987097E+00
  19   -0.182705E-04    0.422018E+03  0.432931E-07 0.100000E-04    0.999413E+00
  20    0.605471E-05    0.408339E+03 -0.148277E-07 0.100000E-04    0.985903E+00
  21    0.622446E-05    0.397107E+03 -0.156745E-07 0.100000E-04    0.989470E+00
  22   -0.964493E-05    0.388707E+03  0.248129E-07 0.100000E-04    0.990813E+00
  23    0.125547E-05    0.368372E+03 -0.340815E-08 0.100000E-04    0.924677E+00
  24   -0.388421E-05    0.361274E+03  0.107514E-07 0.100000E-04    0.975860E+00
  25   -0.222441E-04    0.350425E+03  0.634775E-07 0.100000E-04    0.999830E+00
  26   -0.352733E-04    0.335359E+03  0.105181E-06 0.100000E-04    0.999369E+00
  27   -0.175075E-04    0.326736E+03  0.535832E-07 0.100000E-04    0.998706E+00
  28    0.138402E-04    0.321474E+03 -0.430524E-07 0.100000E-04    0.994830E+00
  29    0.209912E-04    0.320184E+03 -0.655598E-07 0.100000E-04    0.989657E+00
  30   -0.249298E-04    0.311458E+03  0.800422E-07 0.100000E-04    0.998340E+00
  31   -0.192179E-04    0.303181E+03  0.633876E-07 0.100000E-04    0.993914E+00
  32   -0.851882E-05    0.289125E+03  0.294642E-07 0.100000E-04    0.987261E+00
  33    0.137924E-04    0.278523E+03 -0.495199E-07 0.100000E-04    0.997333E+00
  34    0.143253E-04    0.271082E+03 -0.528450E-07 0.100000E-04    0.994114E+00
  35    0.245738E-04    0.267353E+03 -0.919155E-07 0.100000E-04    0.997659E+00
  36    0.211699E-04    0.264560E+03 -0.800194E-07 0.100000E-04    0.993164E+00
  37   -0.203880E-04    0.260514E+03  0.782604E-07 0.100000E-04    0.999691E+00
  38    0.196951E-05    0.253930E+03 -0.775610E-08 0.100000E-04    0.957860E+00
  39   -0.210002E-04    0.242019E+03  0.867707E-07 0.100000E-04    0.999694E+00
  40   -0.203190E-04    0.238972E+03  0.850268E-07 0.100000E-04    0.987400E+00
  41   -0.441981E-04    0.234399E+03  0.188559E-06 0.100000E-04    0.996262E+00
  42   -0.160143E-04    0.228229E+03  0.701680E-07 0.100000E-04    0.988382E+00
  43   -0.181969E-04    0.219017E+03  0.830844E-07 0.100000E-04    0.994446E+00
  44   -0.324304E-04    0.214187E+03  0.151411E-06 0.100000E-04    0.991583E+00
  45    0.165903E-05    0.212662E+03 -0.780124E-08 0.100000E-04    0.987311E+00
  46    0.299933E-04    0.207174E+03 -0.144773E-06 0.100000E-04    0.995069E+00
  47   -0.292911E-04    0.203565E+03  0.143890E-06 0.100000E-04    0.998787E+00
  48    0.622312E-05    0.197078E+03 -0.315769E-07 0.100000E-04    0.995773E+00
  49    0.283957E-04    0.195077E+03 -0.145561E-06 0.100000E-04    0.996367E+00
  50    0.878392E-05    0.191437E+03 -0.458841E-07 0.100000E-04    0.983937E+00
  51   -0.177931E-04    0.183735E+03  0.968411E-07 0.100000E-04    0.999712E+00
  52    0.530067E-05    0.174532E+03 -0.303708E-07 0.100000E-04    0.994262E+00
  53   -0.144260E-04    0.172133E+03  0.838074E-07 0.100000E-04    0.998214E+00
  54   -0.211756E-04    0.167635E+03  0.126320E-06 0.100000E-04    0.997930E+00
  55   -0.215620E-04    0.164591E+03  0.131003E-06 0.100000E-04    0.997299E+00
  56    0.629933E-05    0.158398E+03 -0.397689E-07 0.100000E-04    0.981000E+00
  57   -0.131128E-04    0.154244E+03  0.850129E-07 0.100000E-04    0.998094E+00
  58   -0.260957E-04    0.151651E+03  0.172077E-06 0.100000E-04    0.998245E+00
  59    0.414569E-05    0.148163E+03 -0.279806E-07 0.100000E-04    0.974075E+00
  60    0.242872E-04    0.143390E+03 -0.169379E-06 0.100000E-04    0.998862E+00
  61    0.330066E-04    0.137290E+03 -0.240416E-06 0.100000E-04    0.998871E+00
  62    0.266742E-04    0.135922E+03 -0.196246E-06 0.100000E-04    0.997912E+00
  63    0.214379E-04    0.130583E+03 -0.164170E-06 0.100000E-04    0.992855E+00
  64   -0.337950E-04    0.128306E+03  0.263395E-06 0.100000E-04    0.995980E+00
  65   -0.236093E-04    0.126297E+03  0.186936E-06 0.100000E-04    0.996102E+00
  66    0.150707E-04    0.125355E+03 -0.120224E-06 0.100000E-04    0.994637E+00
  67    0.108640E-04    0.119835E+03 -0.906587E-07 0.100000E-04    0.980750E+00
  68   -0.926523E-05    0.118113E+03  0.784436E-07 0.100000E-04    0.993653E+00
  69   -0.713946E-05    0.117089E+03  0.609749E-07 0.100000E-04    0.998125E+00
  70   -0.297817E-04    0.110727E+03  0.268964E-06 0.100000E-04    0.995125E+00
  71   -0.678160E-05    0.107489E+03  0.630910E-07 0.100000E-04    0.990587E+00
  72   -0.698145E-04    0.104606E+03  0.667404E-06 0.100000E-04    0.996469E+00
  73    0.298887E-04    0.103082E+03 -0.289950E-06 0.100000E-04    0.998548E+00
  74    0.262819E-04    0.997192E+02 -0.263559E-06 0.100000E-04    0.995699E+00
  75    0.818137E-04    0.957648E+02 -0.854319E-06 0.100000E-04    0.999776E+00
  76    0.235515E-04    0.941886E+02 -0.250046E-06 0.100000E-04    0.980034E+00
  77   -0.453735E-04    0.935650E+02  0.484942E-06 0.100000E-04    0.990095E+00
  78    0.960840E-05    0.907127E+02 -0.105921E-06 0.100000E-04    0.999500E+00
  79   -0.790594E-05    0.894241E+02  0.884095E-07 0.100000E-04    0.997633E+00
  80    0.220206E-04    0.851498E+02 -0.258610E-06 0.100000E-04    0.997218E+00
  81    0.251562E-04    0.808973E+02 -0.310964E-06 0.100000E-04    0.995610E+00
  82    0.103365E-04    0.799331E+02 -0.129314E-06 0.100000E-04    0.977882E+00
  83   -0.157015E-04    0.782282E+02  0.200713E-06 0.100000E-04    0.993024E+00
  84    0.500957E-04    0.729137E+02 -0.687055E-06 0.100000E-04    0.997989E+00
  85   -0.383313E-04    0.724658E+02  0.528957E-06 0.100000E-04    0.990416E+00
  86    0.134086E-04    0.682440E+02 -0.196480E-06 0.100000E-04    0.994917E+00
  87   -0.444893E-04    0.659119E+02  0.674981E-06 0.100000E-04    0.996827E+00
  88    0.101018E-04    0.629203E+02 -0.160549E-06 0.100000E-04    0.969987E+00
  89   -0.149117E-04    0.599354E+02  0.248797E-06 0.100000E-04    0.971634E+00
  90    0.638584E-04    0.595631E+02 -0.107211E-05 0.100000E-04    0.996464E+00
  91   -0.246372E-04    0.590361E+02  0.417325E-06 0.100000E-04    0.984191E+00
  92    0.620531E-04    0.560499E+02 -0.110710E-05 0.100000E-04    0.999341E+00
  93   -0.120772E-04    0.526328E+02  0.229462E-06 0.100000E-04    0.960539E+00
  94    0.548930E-04    0.523187E+02 -0.104920E-05 0.100000E-04    0.997541E+00
  95    0.164713E-04    0.500256E+02 -0.329258E-06 0.100000E-04    0.990222E+00
  96    0.798374E-06    0.472602E+02 -0.168931E-07 0.100000E-04    0.968698E+00
  97    0.433383E-04    0.428782E+02 -0.101073E-05 0.100000E-04    0.991286E+00
  98    0.515903E-04    0.405312E+02 -0.127285E-05 0.100000E-04    0.999084E+00
  99    0.124351E-03    0.376419E+02 -0.330354E-05 0.100000E-04    0.996150E+00
 100   -0.876784E-04    0.363126E+02  0.241454E-05 0.100000E-04    0.994155E+00
 101   -0.263133E-04    0.339537E+02  0.774978E-06 0.100000E-04    0.986525E+00
 102    0.105079E-03    0.287948E+02 -0.364924E-05 0.100000E-04    0.999397E+00
 103    0.366793E-04    0.285832E+02 -0.128325E-05 0.100000E-04    0.987956E+00
 104    0.112306E-03    0.270602E+02 -0.415022E-05 0.100000E-04    0.991501E+00
 105   -0.653844E-04    0.230924E+02  0.283143E-05 0.100000E-04    0.994834E+00
 106    0.381567E-04    0.210488E+02 -0.181277E-05 0.100000E-04    0.995734E+00
 107    0.852665E-04    0.206117E+02 -0.413680E-05 0.100000E-04    0.984187E+00
 108   -0.872018E-05    0.167759E+02  0.519803E-06 0.100000E-04    0.898366E+00
 109   -0.710213E-04    0.138158E+02  0.514058E-05 0.100000E-04    0.987678E+00
 110    0.100503E-01    0.122391E+02 -0.100000E-04 0.100000E-04    0.451434E+00
 111   -0.183115E-02    0.997172E+01  0.100000E-04 0.100000E-04    0.660335E+00
 112    0.114273E-01    0.863856E+01 -0.134198E-04 0.134198E-04    0.239047E+00
 113    0.274075E-01    0.672849E+01 -0.276050E-04 0.276050E-04    0.189030E+00
 114    0.743333E+00    0.394355E+01  0.400000E-03 0.400000E-03    0.104883E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1822338454    

 Beginning of optimization cycle  386.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3408108058
 potential> RMS force:                                               0.0698281537   |gradient|=.7455606616    
 Eigenvalues of the Hessian matrix:
   737.02235    674.04529    627.67346    603.56242    587.70867    573.90159 
   567.09233    484.41566    463.71544    460.93721    441.50786    429.26822 
   422.02077    408.34449    397.10211    388.70361    368.38131    361.26616 
   350.41740    335.34851    326.75209    321.47676    320.17673    311.43933 
   303.16503    289.13494    278.51913    271.09076    267.36069    264.56439 
   260.53390    253.92943    242.01463    238.98494    234.38859    228.22243 
   218.99614    214.19447    212.66877    207.17331    203.56403    197.06896 
   195.07338    191.43533    183.72538    174.52335    172.13698    167.63734 
   164.58195    158.38668    154.24928    151.65719    148.15315    143.39216 
   137.29376    135.92303    130.58144    128.31017    126.30070    125.34998 
   119.83608    118.11401    117.08938    110.72238    107.48295    104.60344 
   103.08163     99.71829     95.76467     94.17388     93.57533     90.71659 
    89.41810     85.15281     80.89685     79.93536     78.22699     72.91661 
    72.47009     68.24296     65.90083     62.91307     59.93539     59.55783 
    59.03380     56.04979     52.63063     52.31886     50.02505     47.25419 
    42.87899     40.53394     37.64553     36.31476     33.94115     28.79456 
    28.58192     27.05245     23.09452     21.04408     20.61350     16.77492 
    13.81637     12.23908      9.97315      8.63490      6.72011      3.93803 
overlap for current and previous eigenvector    109 is         0.9999997588
overlap for current and previous eigenvector    110 is         0.9999996162
overlap for current and previous eigenvector    111 is         0.9999995922
overlap for current and previous eigenvector    112 is        -0.9999966835
overlap for current and previous eigenvector    113 is        -0.9999968136
overlap for current and previous eigenvector    114 is        -0.9999997020
J1,K1,R1,R2,RAT=   7   7   -0.4589570094E-02     2.004414088        0.9954104299    
FOB,PFOB,DIAG,PSTEP=   -0.6037245092E-05   -0.6009660912E-05     737.0223517        0.8154689257E-08
J1,K1,R1,R2,RAT=   8   8   -0.9534078740E-02     2.009512585        0.9904659213    
FOB,PFOB,DIAG,PSTEP=   -0.6024498558E-05   -0.5967602356E-05     674.0452869        0.8853509706E-08
J1,K1,R1,R2,RAT=   9   9   -0.2035122718E-01     2.020308877        0.9796487728    
FOB,PFOB,DIAG,PSTEP=   -0.1158870453E-05   -0.1135755937E-05     627.6734575        0.1809507752E-08
J1,K1,R1,R2,RAT=  10  10    0.1251612021E-01     1.987526591        0.9874838798    
FOB,PFOB,DIAG,PSTEP=    0.2387856506E-05    0.2418121357E-05     603.5624224       -0.4006329134E-08
J1,K1,R1,R2,RAT=  11  11   -0.5040737524E-02     2.005074124        0.9949592625    
FOB,PFOB,DIAG,PSTEP=   -0.1717222746E-05   -0.1708610234E-05     587.7086704        0.2907191603E-08
J1,K1,R1,R2,RAT= 109 109    0.4233759223E-02     1.995688429        0.9956884288    
FOB,PFOB,DIAG,PSTEP=   -0.7072063147E-04   -0.7102133038E-04     13.81636999        0.5140575543E-05
J1,K1,R1,R2,RAT= 110 110   -0.5337605595         164.7675129        0.4662394405    
FOB,PFOB,DIAG,PSTEP=    0.1011567708E-01    0.1005034970E-01     12.23907943       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3438371352         36.37774078        0.6561628648    
FOB,PFOB,DIAG,PSTEP=   -0.1796857240E-02   -0.1831148626E-02     9.973147831        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     198.2048776       -0.9763117003        0.2368829965E-01
FOB,PFOB,DIAG,PSTEP=   -0.1154039580E-01    0.1142726239E-01     8.634895129       -0.1341977737E-04
J1,K1,R1,R2,RAT= 113 113     296.1969941       -0.7122216656        0.2877783344    
FOB,PFOB,DIAG,PSTEP=   -0.2753959655E-01    0.2740747336E-01     6.720111842       -0.2760497706E-04
J1,K1,R1,R2,RAT= 114 114    -944.7773242        0.9892388021        0.1076119793E-01
FOB,PFOB,DIAG,PSTEP=   -0.7448915393        0.7433332782         3.938030633        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
    -0.00002      0.00001     -0.00001      0.00003     -0.00000      0.00002 
     0.00003      0.00003      0.00002     -0.00003     -0.00002      0.00001 
     0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00007 
     0.00003      0.00003      0.00008     -0.00002     -0.00005      0.00001 
    -0.00001      0.00002     -0.00003     -0.00001     -0.00002      0.00005 
    -0.00004      0.00001      0.00004      0.00001     -0.00001      0.00006 
    -0.00003      0.00006     -0.00001      0.00005      0.00002      0.00000 
    -0.00004      0.00005      0.00012      0.00009     -0.00003     -0.00010 
     0.00004      0.00011      0.00007      0.00004      0.00009     -0.00001 
    -0.00007      0.01012     -0.00180     -0.01154     -0.02754     -0.74489 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4158824703
 Log product of positive Hessian eigenvalues =          519.5921827572
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9380306327
 Unscaled step for mode    7=        0.0000000082
 Unscaled step for mode    8=        0.0000000089
 Unscaled step for mode    9=        0.0000000018
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000029
 Unscaled step for mode   12=        0.0000000083
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000020
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000152
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000433
 Unscaled step for mode   20=       -0.0000000147
 Unscaled step for mode   21=       -0.0000000156
 Unscaled step for mode   22=        0.0000000249
 Unscaled step for mode   23=       -0.0000000035
 Unscaled step for mode   24=        0.0000000108
 Unscaled step for mode   25=        0.0000000636
 Unscaled step for mode   26=        0.0000001052
 Unscaled step for mode   27=        0.0000000537
 Unscaled step for mode   28=       -0.0000000429
 Unscaled step for mode   29=       -0.0000000660
 Unscaled step for mode   30=        0.0000000802
 Unscaled step for mode   31=        0.0000000639
 Unscaled step for mode   32=        0.0000000296
 Unscaled step for mode   33=       -0.0000000494
 Unscaled step for mode   34=       -0.0000000530
 Unscaled step for mode   35=       -0.0000000922
 Unscaled step for mode   36=       -0.0000000803
 Unscaled step for mode   37=        0.0000000784
 Unscaled step for mode   38=       -0.0000000079
 Unscaled step for mode   39=        0.0000000868
 Unscaled step for mode   40=        0.0000000857
 Unscaled step for mode   41=        0.0000001890
 Unscaled step for mode   42=        0.0000000707
 Unscaled step for mode   43=        0.0000000837
 Unscaled step for mode   44=        0.0000001523
 Unscaled step for mode   45=       -0.0000000076
 Unscaled step for mode   46=       -0.0000001453
 Unscaled step for mode   47=        0.0000001439
 Unscaled step for mode   48=       -0.0000000316
 Unscaled step for mode   49=       -0.0000001463
 Unscaled step for mode   50=       -0.0000000448
 Unscaled step for mode   51=        0.0000000973
 Unscaled step for mode   52=        0.0000000307
 Unscaled step for mode   53=       -0.0000000839
 Unscaled step for mode   54=       -0.0000001271
 Unscaled step for mode   55=        0.0000001313
 Unscaled step for mode   56=       -0.0000000394
 Unscaled step for mode   57=        0.0000000854
 Unscaled step for mode   58=       -0.0000001724
 Unscaled step for mode   59=        0.0000000280
 Unscaled step for mode   60=       -0.0000001699
 Unscaled step for mode   61=       -0.0000002401
 Unscaled step for mode   62=       -0.0000001956
 Unscaled step for mode   63=       -0.0000001626
 Unscaled step for mode   64=        0.0000002645
 Unscaled step for mode   65=        0.0000001867
 Unscaled step for mode   66=       -0.0000001189
 Unscaled step for mode   67=       -0.0000000919
 Unscaled step for mode   68=        0.0000000784
 Unscaled step for mode   69=       -0.0000000608
 Unscaled step for mode   70=        0.0000002708
 Unscaled step for mode   71=       -0.0000000632
 Unscaled step for mode   72=       -0.0000006682
 Unscaled step for mode   73=       -0.0000002902
 Unscaled step for mode   74=       -0.0000002621
 Unscaled step for mode   75=       -0.0000008555
 Unscaled step for mode   76=        0.0000002543
 Unscaled step for mode   77=        0.0000004809
 Unscaled step for mode   78=       -0.0000001092
 Unscaled step for mode   79=        0.0000000874
 Unscaled step for mode   80=       -0.0000002593
 Unscaled step for mode   81=        0.0000003117
 Unscaled step for mode   82=        0.0000001326
 Unscaled step for mode   83=        0.0000002027
 Unscaled step for mode   84=       -0.0000006874
 Unscaled step for mode   85=        0.0000005234
 Unscaled step for mode   86=       -0.0000001987
 Unscaled step for mode   87=       -0.0000006751
 Unscaled step for mode   88=       -0.0000001611
 Unscaled step for mode   89=        0.0000002438
 Unscaled step for mode   90=       -0.0000010695
 Unscaled step for mode   91=        0.0000004245
 Unscaled step for mode   92=       -0.0000011108
 Unscaled step for mode   93=        0.0000002194
 Unscaled step for mode   94=       -0.0000010486
 Unscaled step for mode   95=       -0.0000003209
 Unscaled step for mode   96=       -0.0000000161
 Unscaled step for mode   97=        0.0000010027
 Unscaled step for mode   98=       -0.0000012743
 Unscaled step for mode   99=       -0.0000032921
 Unscaled step for mode  100=       -0.0000024127
 Unscaled step for mode  101=        0.0000007610
 Unscaled step for mode  102=        0.0000036439
 Unscaled step for mode  103=       -0.0000012922
 Unscaled step for mode  104=       -0.0000041418
 Unscaled step for mode  105=       -0.0000028395
 Unscaled step for mode  106=       -0.0000017927
 Unscaled step for mode  107=       -0.0000041647
 Unscaled step for mode  108=        0.0000004820
 Unscaled step for mode  109=        0.0000051186
 Unscaled step for mode  110=       -0.0008265058
 Unscaled step for mode  111=        0.0001801695
 Unscaled step for mode  112=        0.0013364812
 Unscaled step for mode  113=        0.0040980172
 Unscaled step for mode  114=       -0.1828304873
 Largest modulus ratio of non-zero e/values=           187.1550580    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.898587E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.155475E-15    0.100697E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.304444E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.723029E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.512311E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.304471E-15    0.973990E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.603725E-05    0.737022E+03  0.819140E-08 0.100000E-04    0.995410E+00
   8   -0.602450E-05    0.674045E+03  0.893782E-08 0.100000E-04    0.990466E+00
   9   -0.115887E-05    0.627673E+03  0.184630E-08 0.100000E-04    0.979649E+00
  10    0.238786E-05    0.603562E+03 -0.395627E-08 0.100000E-04    0.987484E+00
  11   -0.171722E-05    0.587709E+03  0.292189E-08 0.100000E-04    0.994959E+00
  12   -0.476893E-05    0.573902E+03  0.830966E-08 0.100000E-04    0.983310E+00
  13   -0.363360E-05    0.567092E+03  0.640743E-08 0.100000E-04    0.990248E+00
  14    0.992823E-06    0.484416E+03 -0.204953E-08 0.100000E-04    0.923414E+00
  15    0.194029E-05    0.463715E+03 -0.418422E-08 0.100000E-04    0.982749E+00
  16    0.700887E-05    0.460937E+03 -0.152057E-07 0.100000E-04    0.999406E+00
  17    0.454665E-05    0.441508E+03 -0.102980E-07 0.100000E-04    0.993380E+00
  18    0.482131E-05    0.429268E+03 -0.112315E-07 0.100000E-04    0.998236E+00
  19   -0.182845E-04    0.422021E+03  0.433261E-07 0.100000E-04    0.999231E+00
  20    0.600910E-05    0.408344E+03 -0.147158E-07 0.100000E-04    0.992440E+00
  21    0.618861E-05    0.397102E+03 -0.155844E-07 0.100000E-04    0.994240E+00
  22   -0.966785E-05    0.388704E+03  0.248720E-07 0.100000E-04    0.997624E+00
  23    0.130234E-05    0.368381E+03 -0.353529E-08 0.100000E-04    0.962668E+00
  24   -0.391523E-05    0.361266E+03  0.108375E-07 0.100000E-04    0.992014E+00
  25   -0.222963E-04    0.350417E+03  0.636278E-07 0.100000E-04    0.997653E+00
  26   -0.352725E-04    0.335349E+03  0.105182E-06 0.100000E-04    0.999976E+00
  27   -0.175306E-04    0.326752E+03  0.536509E-07 0.100000E-04    0.998685E+00
  28    0.137834E-04    0.321477E+03 -0.428753E-07 0.100000E-04    0.995880E+00
  29    0.211436E-04    0.320177E+03 -0.660373E-07 0.100000E-04    0.992739E+00
  30   -0.249912E-04    0.311439E+03  0.802441E-07 0.100000E-04    0.997537E+00
  31   -0.193602E-04    0.303165E+03  0.638604E-07 0.100000E-04    0.992592E+00
  32   -0.855050E-05    0.289135E+03  0.295727E-07 0.100000E-04    0.996281E+00
  33    0.137621E-04    0.278519E+03 -0.494116E-07 0.100000E-04    0.997799E+00
  34    0.143598E-04    0.271091E+03 -0.529704E-07 0.100000E-04    0.997595E+00
  35    0.246391E-04    0.267361E+03 -0.921568E-07 0.100000E-04    0.997345E+00
  36    0.212527E-04    0.264564E+03 -0.803309E-07 0.100000E-04    0.996089E+00
  37   -0.204195E-04    0.260534E+03  0.783758E-07 0.100000E-04    0.998452E+00
  38    0.201831E-05    0.253929E+03 -0.794833E-08 0.100000E-04    0.975220E+00
  39   -0.210087E-04    0.242015E+03  0.868076E-07 0.100000E-04    0.999593E+00
  40   -0.204693E-04    0.238985E+03  0.856508E-07 0.100000E-04    0.992605E+00
  41   -0.443077E-04    0.234389E+03  0.189035E-06 0.100000E-04    0.997518E+00
  42   -0.161343E-04    0.228222E+03  0.706954E-07 0.100000E-04    0.992510E+00
  43   -0.183254E-04    0.218996E+03  0.836792E-07 0.100000E-04    0.992936E+00
  44   -0.326266E-04    0.214194E+03  0.152322E-06 0.100000E-04    0.993950E+00
  45    0.161298E-05    0.212669E+03 -0.758449E-08 0.100000E-04    0.972184E+00
  46    0.301099E-04    0.207173E+03 -0.145337E-06 0.100000E-04    0.996112E+00
  47   -0.292959E-04    0.203564E+03  0.143915E-06 0.100000E-04    0.999836E+00
  48    0.622235E-05    0.197069E+03 -0.315745E-07 0.100000E-04    0.999877E+00
  49    0.285374E-04    0.195073E+03 -0.146291E-06 0.100000E-04    0.995008E+00
  50    0.857802E-05    0.191435E+03 -0.448090E-07 0.100000E-04    0.976559E+00
  51   -0.178710E-04    0.183725E+03  0.972700E-07 0.100000E-04    0.995623E+00
  52   -0.536129E-05    0.174523E+03  0.307196E-07 0.100000E-04    0.988564E+00
  53    0.144436E-04    0.172137E+03 -0.839074E-07 0.100000E-04    0.998782E+00
  54    0.213000E-04    0.167637E+03 -0.127060E-06 0.100000E-04    0.994122E+00
  55   -0.216038E-04    0.164582E+03  0.131265E-06 0.100000E-04    0.998061E+00
  56    0.624375E-05    0.158387E+03 -0.394210E-07 0.100000E-04    0.991177E+00
  57   -0.131704E-04    0.154249E+03  0.853840E-07 0.100000E-04    0.995602E+00
  58    0.261396E-04    0.151657E+03 -0.172360E-06 0.100000E-04    0.998318E+00
  59   -0.414355E-05    0.148153E+03  0.279680E-07 0.100000E-04    0.999485E+00
  60    0.243624E-04    0.143392E+03 -0.169901E-06 0.100000E-04    0.996904E+00
  61    0.329674E-04    0.137294E+03 -0.240123E-06 0.100000E-04    0.998753E+00
  62    0.265805E-04    0.135923E+03 -0.195555E-06 0.100000E-04    0.996472E+00
  63    0.212311E-04    0.130581E+03 -0.162589E-06 0.100000E-04    0.990356E+00
  64   -0.339342E-04    0.128310E+03  0.264470E-06 0.100000E-04    0.995882E+00
  65   -0.235750E-04    0.126301E+03  0.186658E-06 0.100000E-04    0.998482E+00
  66    0.149067E-04    0.125350E+03 -0.118921E-06 0.100000E-04    0.989115E+00
  67    0.110098E-04    0.119836E+03 -0.918735E-07 0.100000E-04    0.986587E+00
  68   -0.925942E-05    0.118114E+03  0.783939E-07 0.100000E-04    0.999362E+00
  69    0.712347E-05    0.117089E+03 -0.608379E-07 0.100000E-04    0.997746E+00
  70   -0.299797E-04    0.110722E+03  0.270764E-06 0.100000E-04    0.993352E+00
  71    0.679699E-05    0.107483E+03 -0.632379E-07 0.100000E-04    0.997729E+00
  72    0.698933E-04    0.104603E+03 -0.668174E-06 0.100000E-04    0.998872E+00
  73    0.299169E-04    0.103082E+03 -0.290225E-06 0.100000E-04    0.999058E+00
  74    0.261369E-04    0.997183E+02 -0.262107E-06 0.100000E-04    0.994480E+00
  75    0.819261E-04    0.957647E+02 -0.855494E-06 0.100000E-04    0.998627E+00
  76   -0.239493E-04    0.941739E+02  0.254309E-06 0.100000E-04    0.983106E+00
  77   -0.450000E-04    0.935753E+02  0.480896E-06 0.100000E-04    0.991548E+00
  78    0.991018E-05    0.907166E+02 -0.109243E-06 0.100000E-04    0.968593E+00
  79   -0.781197E-05    0.894181E+02  0.873646E-07 0.100000E-04    0.988114E+00
  80    0.220802E-04    0.851528E+02 -0.259301E-06 0.100000E-04    0.997293E+00
  81   -0.252157E-04    0.808968E+02  0.311702E-06 0.100000E-04    0.997632E+00
  82   -0.105984E-04    0.799354E+02  0.132587E-06 0.100000E-04    0.974663E+00
  83   -0.158548E-04    0.782270E+02  0.202677E-06 0.100000E-04    0.990234E+00
  84    0.501205E-04    0.729166E+02 -0.687367E-06 0.100000E-04    0.999505E+00
  85   -0.379309E-04    0.724701E+02  0.523400E-06 0.100000E-04    0.989435E+00
  86    0.135578E-04    0.682430E+02 -0.198669E-06 0.100000E-04    0.988871E+00
  87    0.444879E-04    0.659008E+02 -0.675073E-06 0.100000E-04    0.999969E+00
  88    0.101332E-04    0.629131E+02 -0.161066E-06 0.100000E-04    0.996895E+00
  89   -0.146104E-04    0.599354E+02  0.243769E-06 0.100000E-04    0.979791E+00
  90    0.636982E-04    0.595578E+02 -0.106952E-05 0.100000E-04    0.997490E+00
  91   -0.250604E-04    0.590338E+02  0.424509E-06 0.100000E-04    0.982824E+00
  92    0.622583E-04    0.560498E+02 -0.111077E-05 0.100000E-04    0.996693E+00
  93   -0.115480E-04    0.526306E+02  0.219415E-06 0.100000E-04    0.956176E+00
  94    0.548620E-04    0.523189E+02 -0.104861E-05 0.100000E-04    0.999430E+00
  95    0.160507E-04    0.500251E+02 -0.320853E-06 0.100000E-04    0.974463E+00
  96    0.761441E-06    0.472542E+02 -0.161137E-07 0.100000E-04    0.953734E+00
  97   -0.429957E-04    0.428790E+02  0.100272E-05 0.100000E-04    0.992060E+00
  98    0.516537E-04    0.405339E+02 -0.127433E-05 0.100000E-04    0.998772E+00
  99    0.123933E-03    0.376455E+02 -0.329209E-05 0.100000E-04    0.996438E+00
 100    0.876181E-04    0.363148E+02 -0.241274E-05 0.100000E-04    0.999196E+00
 101   -0.258295E-04    0.339411E+02  0.761008E-06 0.100000E-04    0.981605E+00
 102   -0.104925E-03    0.287946E+02  0.364391E-05 0.100000E-04    0.998530E+00
 103    0.369345E-04    0.285819E+02 -0.129223E-05 0.100000E-04    0.993044E+00
 104    0.112047E-03    0.270525E+02 -0.414185E-05 0.100000E-04    0.997696E+00
 105    0.655780E-04    0.230945E+02 -0.283955E-05 0.100000E-04    0.997040E+00
 106    0.377252E-04    0.210441E+02 -0.179268E-05 0.100000E-04    0.988689E+00
 107    0.858493E-04    0.206135E+02 -0.416471E-05 0.100000E-04    0.993165E+00
 108   -0.808549E-05    0.167749E+02  0.481999E-06 0.100000E-04    0.927212E+00
 109   -0.707206E-04    0.138164E+02  0.511861E-05 0.100000E-04    0.995688E+00
 110    0.101157E-01    0.122391E+02 -0.100000E-04 0.100000E-04    0.466239E+00
 111   -0.179686E-02    0.997315E+01  0.100000E-04 0.100000E-04    0.656163E+00
 112   -0.115404E-01    0.863490E+01  0.146276E-04 0.146276E-04    0.236883E-01
 113   -0.275396E-01    0.672011E+01  0.248693E-04 0.248693E-04    0.287778E+00
 114   -0.744892E+00    0.393803E+01 -0.400000E-03 0.400000E-03    0.107612E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1828304873    

 Beginning of optimization cycle  387.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3405135047
 potential> RMS force:                                               0.0699745008   |gradient|=.7471232209    
 Eigenvalues of the Hessian matrix:
   737.08696    674.05280    627.68672    603.54923    587.69906    573.94404 
   567.09257    484.44238    463.69213    460.93111    441.51047    429.26159 
   422.02310    408.34975    397.09704    388.70006    368.39093    361.25809 
   350.40973    335.33829    326.76828    321.47956    320.16955    311.42068 
   303.14921    289.14526    278.51513    271.09932    267.36853    264.56884 
   260.55308    253.92824    242.01001    238.99819    234.37774    228.21618 
   218.97535    214.20178    212.67559    207.17225    203.56300    197.05995 
   195.06964    191.43357    183.71583    174.51464    172.14137    167.63982 
   164.57307    158.37520    154.25429    151.66310    148.14346    143.39418 
   137.29772    135.92396    130.57999    128.31470    126.30477    125.34467 
   119.83765    118.11470    117.09027    110.71742    107.47690    104.60085 
   103.08090     99.71741     95.76463     94.15908     93.58561     90.72046 
    89.41212     85.15578     80.89642     79.93756     78.22580     72.91965 
    72.47445     68.24202     65.88988     62.90583     59.93550     59.55267 
    59.03148     56.04972     52.62860     52.31902     50.02448     47.24820 
    42.87976     40.53667     37.64923     36.31703     33.92870     28.79429 
    28.58061     27.04473     23.09661     21.03952     20.61519     16.77391 
    13.81691     12.23902      9.97456      8.63123      6.71173      3.93251 
overlap for current and previous eigenvector    109 is         0.9999997625
overlap for current and previous eigenvector    110 is        -0.9999996207
overlap for current and previous eigenvector    111 is         0.9999996101
overlap for current and previous eigenvector    112 is        -0.9999967426
overlap for current and previous eigenvector    113 is         0.9999968597
overlap for current and previous eigenvector    114 is         0.9999997088
J1,K1,R1,R2,RAT=   7   7   -0.6361779859E-02     2.006186484        0.9936382201    
FOB,PFOB,DIAG,PSTEP=   -0.6075656083E-05   -0.6037245092E-05     737.0869560        0.8191400273E-08
J1,K1,R1,R2,RAT=   8   8    0.3672762046E-02     1.996304936        0.9963049355    
FOB,PFOB,DIAG,PSTEP=   -0.6002371761E-05   -0.6024498558E-05     674.0528034        0.8937824616E-08
J1,K1,R1,R2,RAT=   9   9    0.1349943247E-02     1.998607791        0.9986077906    
FOB,PFOB,DIAG,PSTEP=   -0.1157306011E-05   -0.1158870453E-05     627.6867224        0.1846295139E-08
J1,K1,R1,R2,RAT=  10  10   -0.2392013729E-01     2.023963867        0.9760798627    
FOB,PFOB,DIAG,PSTEP=    0.2444973112E-05    0.2387856506E-05     603.5492260       -0.3956270995E-08
J1,K1,R1,R2,RAT=  11  11   -0.9858631166E-02     2.009891342        0.9901413688    
FOB,PFOB,DIAG,PSTEP=   -0.1734151934E-05   -0.1717222746E-05     587.6990582        0.2921894524E-08
J1,K1,R1,R2,RAT= 109 109    0.1796523120E-02     1.998125142        0.9981251418    
FOB,PFOB,DIAG,PSTEP=   -0.7059357524E-04   -0.7072063147E-04     13.81691116        0.5118611585E-05
J1,K1,R1,R2,RAT= 110 110     165.8538423       -0.5518005724        0.4481994276    
FOB,PFOB,DIAG,PSTEP=   -0.1018321207E-01    0.1011567708E-01     12.23902255       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3432776669         35.68550955        0.6567223331    
FOB,PFOB,DIAG,PSTEP=   -0.1762616789E-02   -0.1796857240E-02     9.974564114        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     183.6002618       -0.7875812402        0.2124187598    
FOB,PFOB,DIAG,PSTEP=    0.1163983091E-01   -0.1154039580E-01     8.631227702        0.1462755734E-04
J1,K1,R1,R2,RAT= 113 113   -0.8446245327         330.8253280        0.1553754673    
FOB,PFOB,DIAG,PSTEP=   -0.2768057825E-01   -0.2753959655E-01     6.711732106        0.2486934870E-04
J1,K1,R1,R2,RAT= 114 114    0.9894228047        -948.0847507        0.1057719535E-01
FOB,PFOB,DIAG,PSTEP=   -0.7464479036       -0.7448915393         3.932505617       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001      0.00001      0.00002 
     0.00002     -0.00001      0.00001      0.00003     -0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00003     -0.00002      0.00001 
     0.00001      0.00001      0.00001     -0.00003     -0.00001      0.00007 
     0.00003     -0.00003      0.00008      0.00002      0.00004      0.00001 
    -0.00001     -0.00002     -0.00003      0.00001      0.00002      0.00005 
    -0.00004     -0.00001     -0.00004     -0.00001      0.00001     -0.00006 
     0.00003      0.00006      0.00001      0.00006      0.00002     -0.00000 
     0.00004      0.00005      0.00012      0.00009     -0.00003      0.00011 
     0.00004      0.00011     -0.00007      0.00004      0.00008     -0.00001 
    -0.00007     -0.01018     -0.00176      0.01164     -0.02768     -0.74645 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4156763099
 Log product of positive Hessian eigenvalues =          519.5879886349
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9325056167
 Unscaled step for mode    7=        0.0000000082
 Unscaled step for mode    8=        0.0000000089
 Unscaled step for mode    9=        0.0000000018
 Unscaled step for mode   10=       -0.0000000041
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000083
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000021
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000153
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000435
 Unscaled step for mode   20=       -0.0000000147
 Unscaled step for mode   21=       -0.0000000156
 Unscaled step for mode   22=        0.0000000250
 Unscaled step for mode   23=       -0.0000000034
 Unscaled step for mode   24=        0.0000000109
 Unscaled step for mode   25=        0.0000000638
 Unscaled step for mode   26=        0.0000001054
 Unscaled step for mode   27=        0.0000000537
 Unscaled step for mode   28=       -0.0000000428
 Unscaled step for mode   29=       -0.0000000669
 Unscaled step for mode   30=        0.0000000799
 Unscaled step for mode   31=        0.0000000639
 Unscaled step for mode   32=        0.0000000297
 Unscaled step for mode   33=       -0.0000000498
 Unscaled step for mode   34=       -0.0000000534
 Unscaled step for mode   35=       -0.0000000919
 Unscaled step for mode   36=       -0.0000000804
 Unscaled step for mode   37=        0.0000000785
 Unscaled step for mode   38=       -0.0000000082
 Unscaled step for mode   39=        0.0000000870
 Unscaled step for mode   40=        0.0000000863
 Unscaled step for mode   41=        0.0000001893
 Unscaled step for mode   42=        0.0000000708
 Unscaled step for mode   43=        0.0000000837
 Unscaled step for mode   44=        0.0000001526
 Unscaled step for mode   45=       -0.0000000082
 Unscaled step for mode   46=       -0.0000001457
 Unscaled step for mode   47=        0.0000001435
 Unscaled step for mode   48=       -0.0000000319
 Unscaled step for mode   49=       -0.0000001461
 Unscaled step for mode   50=       -0.0000000460
 Unscaled step for mode   51=        0.0000000972
 Unscaled step for mode   52=       -0.0000000309
 Unscaled step for mode   53=       -0.0000000842
 Unscaled step for mode   54=       -0.0000001272
 Unscaled step for mode   55=       -0.0000001314
 Unscaled step for mode   56=        0.0000000396
 Unscaled step for mode   57=       -0.0000000860
 Unscaled step for mode   58=       -0.0000001725
 Unscaled step for mode   59=        0.0000000286
 Unscaled step for mode   60=        0.0000001700
 Unscaled step for mode   61=        0.0000002421
 Unscaled step for mode   62=        0.0000001953
 Unscaled step for mode   63=       -0.0000001637
 Unscaled step for mode   64=        0.0000002657
 Unscaled step for mode   65=        0.0000001881
 Unscaled step for mode   66=       -0.0000001187
 Unscaled step for mode   67=       -0.0000000917
 Unscaled step for mode   68=       -0.0000000786
 Unscaled step for mode   69=       -0.0000000617
 Unscaled step for mode   70=        0.0000002698
 Unscaled step for mode   71=        0.0000000632
 Unscaled step for mode   72=       -0.0000006717
 Unscaled step for mode   73=       -0.0000002906
 Unscaled step for mode   74=        0.0000002627
 Unscaled step for mode   75=       -0.0000008566
 Unscaled step for mode   76=       -0.0000002598
 Unscaled step for mode   77=       -0.0000004780
 Unscaled step for mode   78=       -0.0000001092
 Unscaled step for mode   79=        0.0000000878
 Unscaled step for mode   80=        0.0000002585
 Unscaled step for mode   81=        0.0000003124
 Unscaled step for mode   82=       -0.0000001327
 Unscaled step for mode   83=       -0.0000002007
 Unscaled step for mode   84=       -0.0000006932
 Unscaled step for mode   85=        0.0000005249
 Unscaled step for mode   86=        0.0000002018
 Unscaled step for mode   87=        0.0000006770
 Unscaled step for mode   88=        0.0000001629
 Unscaled step for mode   89=       -0.0000002324
 Unscaled step for mode   90=        0.0000010729
 Unscaled step for mode   91=       -0.0000004382
 Unscaled step for mode   92=       -0.0000011069
 Unscaled step for mode   93=       -0.0000002141
 Unscaled step for mode   94=       -0.0000010539
 Unscaled step for mode   95=       -0.0000003245
 Unscaled step for mode   96=        0.0000000097
 Unscaled step for mode   97=       -0.0000010146
 Unscaled step for mode   98=       -0.0000012821
 Unscaled step for mode   99=       -0.0000033050
 Unscaled step for mode  100=       -0.0000024074
 Unscaled step for mode  101=        0.0000007811
 Unscaled step for mode  102=       -0.0000036597
 Unscaled step for mode  103=       -0.0000012985
 Unscaled step for mode  104=       -0.0000041826
 Unscaled step for mode  105=        0.0000028494
 Unscaled step for mode  106=       -0.0000019130
 Unscaled step for mode  107=       -0.0000040707
 Unscaled step for mode  108=        0.0000005560
 Unscaled step for mode  109=        0.0000051092
 Unscaled step for mode  110=        0.0008320276
 Unscaled step for mode  111=        0.0001767112
 Unscaled step for mode  112=       -0.0013485694
 Unscaled step for mode  113=        0.0041241377
 Unscaled step for mode  114=       -0.1834283336
 Largest modulus ratio of non-zero e/values=           187.4344318    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.441921E-15    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.216222E-14    0.100696E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.168268E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.586716E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.212278E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.993536E-16    0.973992E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.607566E-05    0.737087E+03  0.824279E-08 0.100000E-04    0.993638E+00
   8   -0.600237E-05    0.674053E+03  0.890490E-08 0.100000E-04    0.996305E+00
   9   -0.115731E-05    0.627687E+03  0.184376E-08 0.100000E-04    0.998608E+00
  10    0.244497E-05    0.603549E+03 -0.405099E-08 0.100000E-04    0.976080E+00
  11   -0.173415E-05    0.587699E+03  0.295075E-08 0.100000E-04    0.990141E+00
  12   -0.475258E-05    0.573944E+03  0.828056E-08 0.100000E-04    0.996424E+00
  13   -0.360547E-05    0.567093E+03  0.635782E-08 0.100000E-04    0.992257E+00
  14    0.100537E-05    0.484442E+03 -0.207531E-08 0.100000E-04    0.987364E+00
  15    0.192739E-05    0.463692E+03 -0.415661E-08 0.100000E-04    0.993352E+00
  16    0.705039E-05    0.460931E+03 -0.152960E-07 0.100000E-04    0.994076E+00
  17    0.459625E-05    0.441510E+03 -0.104103E-07 0.100000E-04    0.989090E+00
  18    0.482502E-05    0.429262E+03 -0.112403E-07 0.100000E-04    0.999230E+00
  19   -0.183527E-04    0.422023E+03  0.434875E-07 0.100000E-04    0.996269E+00
  20    0.601575E-05    0.408350E+03 -0.147319E-07 0.100000E-04    0.998892E+00
  21    0.619849E-05    0.397097E+03 -0.156095E-07 0.100000E-04    0.998404E+00
  22   -0.971532E-05    0.388700E+03  0.249944E-07 0.100000E-04    0.995090E+00
  23    0.125117E-05    0.368391E+03 -0.339630E-08 0.100000E-04    0.960659E+00
  24   -0.394846E-05    0.361258E+03  0.109298E-07 0.100000E-04    0.991512E+00
  25   -0.223432E-04    0.350410E+03  0.637630E-07 0.100000E-04    0.997897E+00
  26   -0.353432E-04    0.335338E+03  0.105396E-06 0.100000E-04    0.997995E+00
  27   -0.175370E-04    0.326768E+03  0.536679E-07 0.100000E-04    0.999635E+00
  28    0.137583E-04    0.321480E+03 -0.427969E-07 0.100000E-04    0.998163E+00
  29    0.214036E-04    0.320170E+03 -0.668509E-07 0.100000E-04    0.987703E+00
  30   -0.248939E-04    0.311421E+03  0.799365E-07 0.100000E-04    0.996107E+00
  31   -0.193738E-04    0.303149E+03  0.639086E-07 0.100000E-04    0.999298E+00
  32   -0.859080E-05    0.289145E+03  0.297110E-07 0.100000E-04    0.995287E+00
  33    0.138601E-04    0.278515E+03 -0.497641E-07 0.100000E-04    0.992881E+00
  34    0.144723E-04    0.271099E+03 -0.533838E-07 0.100000E-04    0.992164E+00
  35    0.245832E-04    0.267369E+03 -0.919451E-07 0.100000E-04    0.997674E+00
  36    0.212667E-04    0.264569E+03 -0.803826E-07 0.100000E-04    0.999341E+00
  37   -0.204662E-04    0.260553E+03  0.785489E-07 0.100000E-04    0.997717E+00
  38    0.207398E-05    0.253928E+03 -0.816757E-08 0.100000E-04    0.972421E+00
  39   -0.210650E-04    0.242010E+03  0.870420E-07 0.100000E-04    0.997319E+00
  40   -0.206315E-04    0.238998E+03  0.863248E-07 0.100000E-04    0.992076E+00
  41   -0.443585E-04    0.234378E+03  0.189261E-06 0.100000E-04    0.998855E+00
  42   -0.161516E-04    0.228216E+03  0.707732E-07 0.100000E-04    0.998928E+00
  43   -0.183189E-04    0.218975E+03  0.836572E-07 0.100000E-04    0.999642E+00
  44   -0.326820E-04    0.214202E+03  0.152576E-06 0.100000E-04    0.998301E+00
  45    0.174546E-05    0.212676E+03 -0.820717E-08 0.100000E-04    0.917869E+00
  46    0.301828E-04    0.207172E+03 -0.145689E-06 0.100000E-04    0.997578E+00
  47   -0.292048E-04    0.203563E+03  0.143468E-06 0.100000E-04    0.996892E+00
  48    0.628406E-05    0.197060E+03 -0.318891E-07 0.100000E-04    0.990082E+00
  49    0.285068E-04    0.195070E+03 -0.146136E-06 0.100000E-04    0.998927E+00
  50    0.879705E-05    0.191434E+03 -0.459536E-07 0.100000E-04    0.974465E+00
  51   -0.178488E-04    0.183716E+03  0.971546E-07 0.100000E-04    0.998761E+00
  52    0.538886E-05    0.174515E+03 -0.308791E-07 0.100000E-04    0.994857E+00
  53    0.144978E-04    0.172141E+03 -0.842205E-07 0.100000E-04    0.996243E+00
  54    0.213200E-04    0.167640E+03 -0.127177E-06 0.100000E-04    0.999064E+00
  55    0.216195E-04    0.164573E+03 -0.131367E-06 0.100000E-04    0.999269E+00
  56   -0.627899E-05    0.158375E+03  0.396463E-07 0.100000E-04    0.994356E+00
  57    0.132645E-04    0.154254E+03 -0.859908E-07 0.100000E-04    0.992861E+00
  58    0.261666E-04    0.151663E+03 -0.172531E-06 0.100000E-04    0.998969E+00
  59   -0.423346E-05    0.148143E+03  0.285767E-07 0.100000E-04    0.978302E+00
  60   -0.243769E-04    0.143394E+03  0.169999E-06 0.100000E-04    0.999406E+00
  61   -0.332377E-04    0.137298E+03  0.242085E-06 0.100000E-04    0.991799E+00
  62   -0.265396E-04    0.135924E+03  0.195253E-06 0.100000E-04    0.998448E+00
  63    0.213700E-04    0.130580E+03 -0.163655E-06 0.100000E-04    0.993458E+00
  64   -0.340899E-04    0.128315E+03  0.265674E-06 0.100000E-04    0.995413E+00
  65   -0.237630E-04    0.126305E+03  0.188140E-06 0.100000E-04    0.992025E+00
  66    0.148777E-04    0.125345E+03 -0.118694E-06 0.100000E-04    0.998055E+00
  67    0.109833E-04    0.119838E+03 -0.916511E-07 0.100000E-04    0.997566E+00
  68    0.928163E-05    0.118115E+03 -0.785815E-07 0.100000E-04    0.997601E+00
  69    0.722051E-05    0.117090E+03 -0.616662E-07 0.100000E-04    0.986377E+00
  70   -0.298760E-04    0.110717E+03  0.269840E-06 0.100000E-04    0.996542E+00
  71   -0.678902E-05    0.107477E+03  0.631672E-07 0.100000E-04    0.998826E+00
  72    0.702593E-04    0.104601E+03 -0.671689E-06 0.100000E-04    0.994763E+00
  73    0.299539E-04    0.103081E+03 -0.290586E-06 0.100000E-04    0.998762E+00
  74   -0.261952E-04    0.997174E+02  0.262694E-06 0.100000E-04    0.997767E+00
  75    0.820286E-04    0.957646E+02 -0.856565E-06 0.100000E-04    0.998748E+00
  76    0.244667E-04    0.941591E+02 -0.259845E-06 0.100000E-04    0.978390E+00
  77    0.447312E-04    0.935856E+02 -0.477970E-06 0.100000E-04    0.993806E+00
  78    0.990730E-05    0.907205E+02 -0.109207E-06 0.100000E-04    0.999624E+00
  79   -0.785317E-05    0.894121E+02  0.878312E-07 0.100000E-04    0.994726E+00
  80   -0.220164E-04    0.851558E+02  0.258543E-06 0.100000E-04    0.997041E+00
  81   -0.252685E-04    0.808964E+02  0.312357E-06 0.100000E-04    0.997906E+00
  82    0.106041E-04    0.799376E+02 -0.132655E-06 0.100000E-04    0.999462E+00
  83    0.156988E-04    0.782258E+02 -0.200685E-06 0.100000E-04    0.990159E+00
  84    0.505485E-04    0.729197E+02 -0.693209E-06 0.100000E-04    0.991460E+00
  85   -0.380435E-04    0.724744E+02  0.524923E-06 0.100000E-04    0.997031E+00
  86   -0.137683E-04    0.682420E+02  0.201757E-06 0.100000E-04    0.984469E+00
  87   -0.446080E-04    0.658899E+02  0.677008E-06 0.100000E-04    0.997300E+00
  88   -0.102458E-04    0.629058E+02  0.162875E-06 0.100000E-04    0.988882E+00
  89    0.139269E-04    0.599355E+02 -0.232365E-06 0.100000E-04    0.953218E+00
  90   -0.638930E-04    0.595527E+02  0.107288E-05 0.100000E-04    0.996941E+00
  91    0.258652E-04    0.590315E+02 -0.438160E-06 0.100000E-04    0.967881E+00
  92    0.620436E-04    0.560497E+02 -0.110694E-05 0.100000E-04    0.996551E+00
  93    0.112688E-04    0.526286E+02 -0.214120E-06 0.100000E-04    0.975827E+00
  94    0.551372E-04    0.523190E+02 -0.105387E-05 0.100000E-04    0.994984E+00
  95    0.162339E-04    0.500245E+02 -0.324518E-06 0.100000E-04    0.988588E+00
  96   -0.459318E-06    0.472482E+02  0.972138E-08 0.100000E-04    0.603171E+00
  97    0.435067E-04    0.428798E+02 -0.101462E-05 0.100000E-04    0.988116E+00
  98    0.519711E-04    0.405367E+02 -0.128208E-05 0.100000E-04    0.993856E+00
  99    0.124432E-03    0.376492E+02 -0.330502E-05 0.100000E-04    0.995975E+00
 100    0.874306E-04    0.363170E+02 -0.240743E-05 0.100000E-04    0.997735E+00
 101   -0.265013E-04    0.339287E+02  0.781088E-06 0.100000E-04    0.973982E+00
 102    0.105378E-03    0.287943E+02 -0.365968E-05 0.100000E-04    0.995683E+00
 103    0.371113E-04    0.285806E+02 -0.129848E-05 0.100000E-04    0.995212E+00
 104    0.113118E-03    0.270447E+02 -0.418263E-05 0.100000E-04    0.990438E+00
 105   -0.658106E-04    0.230966E+02  0.284936E-05 0.100000E-04    0.996453E+00
 106    0.402489E-04    0.210395E+02 -0.191302E-05 0.100000E-04    0.933089E+00
 107    0.839173E-04    0.206152E+02 -0.407065E-05 0.100000E-04    0.977334E+00
 108   -0.932592E-05    0.167739E+02  0.555978E-06 0.100000E-04    0.846577E+00
 109   -0.705936E-04    0.138169E+02  0.510922E-05 0.100000E-04    0.998125E+00
 110   -0.101832E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.448199E+00
 111   -0.176262E-02    0.997456E+01  0.100000E-04 0.100000E-04    0.656722E+00
 112    0.116398E-01    0.863123E+01 -0.131780E-04 0.131780E-04    0.212419E+00
 113   -0.276806E-01    0.671173E+01  0.271076E-04 0.271076E-04    0.155375E+00
 114   -0.746448E+00    0.393251E+01 -0.400000E-03 0.400000E-03    0.105772E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1834283336    

 Beginning of optimization cycle  388.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3402156316
 potential> RMS force:                                               0.0701206040   |gradient|=.7486831757    
 Eigenvalues of the Hessian matrix:
   737.15164    674.06005    627.69998    603.53620    587.68930    573.98669 
   567.09263    484.46903    463.66882    460.92505    441.51309    429.25516 
   422.02548    408.35499    397.09198    388.69654    368.40061    361.25005 
   350.40225    335.32832    326.78457    321.48239    320.16232    311.40217 
   303.13342    289.15564    278.51122    271.10805    267.37646    264.57329 
   260.57262    253.92706    242.00551    239.01153    234.36702    228.20999 
   218.95454    214.20914    212.68245    207.17130    203.56193    197.05091 
   195.06598    191.43178    183.70635    174.50599    172.14572    167.64239 
   164.56415    158.36365    154.25932    151.66899    148.13369    143.39614 
   137.30174    135.92488    130.57848    128.31925    126.30885    125.33926 
   119.83919    118.11536    117.09110    110.71246    107.47083    104.59820 
   103.08012     99.71651     95.76462     94.14420     93.59583     90.72435 
    89.40611     85.15878     80.89598     79.93981     78.22459     72.92266 
    72.47873     68.24097     65.87894     62.89849     59.93565     59.54747 
    59.02899     56.04958     52.62653     52.31914     50.02392     47.24212 
    42.88058     40.53939     37.65287     36.31912     33.91619     28.79400 
    28.57930     27.03700     23.09874     21.03507     20.61668     16.77286 
    13.81745     12.23897      9.97599      8.62760      6.70331      3.92697 
overlap for current and previous eigenvector    109 is         0.9999997603
overlap for current and previous eigenvector    110 is        -0.9999996192
overlap for current and previous eigenvector    111 is         0.9999996070
overlap for current and previous eigenvector    112 is        -0.9999967762
overlap for current and previous eigenvector    113 is         0.9999968923
overlap for current and previous eigenvector    114 is         0.9999997056
J1,K1,R1,R2,RAT=   7   7   -0.4812692392E-02     2.004637200        0.9951873076    
FOB,PFOB,DIAG,PSTEP=   -0.6104898913E-05   -0.6075656083E-05     737.1516381        0.8242794197E-08
J1,K1,R1,R2,RAT=   8   8   -0.9497831064E-02     2.009476336        0.9905021689    
FOB,PFOB,DIAG,PSTEP=   -0.6059381887E-05   -0.6002371761E-05     674.0600479        0.8904898446E-08
J1,K1,R1,R2,RAT=   9   9   -0.2098588933E-01     2.020943633        0.9790141107    
FOB,PFOB,DIAG,PSTEP=   -0.1181593620E-05   -0.1157306011E-05     627.6999845        0.1843763728E-08
J1,K1,R1,R2,RAT=  10  10    0.1357069633E-01     1.986472465        0.9864293037    
FOB,PFOB,DIAG,PSTEP=    0.2411793841E-05    0.2444973112E-05     603.5362013       -0.4050992043E-08
J1,K1,R1,R2,RAT=  11  11   -0.4879280109E-02     2.004912482        0.9951207199    
FOB,PFOB,DIAG,PSTEP=   -0.1742613207E-05   -0.1734151934E-05     587.6893022        0.2950748193E-08
J1,K1,R1,R2,RAT= 109 109    0.3854282517E-02     1.996067763        0.9960677629    
FOB,PFOB,DIAG,PSTEP=   -0.7032147706E-04   -0.7059357524E-04     13.81744973        0.5109215397E-05
J1,K1,R1,R2,RAT= 110 110     166.9437710       -0.5373818214        0.4626181786    
FOB,PFOB,DIAG,PSTEP=    0.1024898206E-01   -0.1018321207E-01     12.23896765        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3485779480         34.98860552        0.6514220520    
FOB,PFOB,DIAG,PSTEP=   -0.1727842691E-02   -0.1762616789E-02     9.975989120        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     205.7617376        -1.005199453        0.5199453331E-02
FOB,PFOB,DIAG,PSTEP=   -0.1175411641E-01    0.1163983091E-01     8.627601126       -0.1317797958E-04
J1,K1,R1,R2,RAT= 113 113   -0.7372025167         305.4040550        0.2627974833    
FOB,PFOB,DIAG,PSTEP=   -0.2781453566E-01   -0.2768057825E-01     6.703305898        0.2710759008E-04
J1,K1,R1,R2,RAT= 114 114    0.9891777352        -951.4004581        0.1082226481E-01
FOB,PFOB,DIAG,PSTEP=   -0.7480016933       -0.7464479036         3.926973085       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
    -0.00002      0.00001     -0.00001      0.00003     -0.00000      0.00002 
     0.00003     -0.00003     -0.00002      0.00003      0.00002     -0.00001 
    -0.00001      0.00001     -0.00001     -0.00003     -0.00001      0.00007 
    -0.00003     -0.00003      0.00008     -0.00002      0.00004     -0.00001 
    -0.00001     -0.00002     -0.00003     -0.00001     -0.00002      0.00005 
    -0.00004      0.00001     -0.00004      0.00001      0.00001      0.00006 
    -0.00003      0.00006      0.00001     -0.00006     -0.00002     -0.00000 
    -0.00004      0.00005      0.00012      0.00009     -0.00003     -0.00011 
     0.00004      0.00011      0.00007      0.00004      0.00008     -0.00001 
    -0.00007      0.01025     -0.00173     -0.01175     -0.02781     -0.74800 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4154753679
 Log product of positive Hessian eigenvalues =          519.5837655436
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9269730855
 Unscaled step for mode    7=        0.0000000083
 Unscaled step for mode    8=        0.0000000090
 Unscaled step for mode    9=        0.0000000019
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000084
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000022
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000153
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000435
 Unscaled step for mode   20=       -0.0000000146
 Unscaled step for mode   21=       -0.0000000155
 Unscaled step for mode   22=        0.0000000250
 Unscaled step for mode   23=       -0.0000000035
 Unscaled step for mode   24=        0.0000000110
 Unscaled step for mode   25=        0.0000000639
 Unscaled step for mode   26=        0.0000001054
 Unscaled step for mode   27=        0.0000000538
 Unscaled step for mode   28=       -0.0000000426
 Unscaled step for mode   29=       -0.0000000674
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000644
 Unscaled step for mode   32=        0.0000000298
 Unscaled step for mode   33=       -0.0000000497
 Unscaled step for mode   34=       -0.0000000535
 Unscaled step for mode   35=       -0.0000000922
 Unscaled step for mode   36=       -0.0000000806
 Unscaled step for mode   37=        0.0000000786
 Unscaled step for mode   38=       -0.0000000084
 Unscaled step for mode   39=        0.0000000871
 Unscaled step for mode   40=        0.0000000869
 Unscaled step for mode   41=        0.0000001897
 Unscaled step for mode   42=        0.0000000712
 Unscaled step for mode   43=        0.0000000842
 Unscaled step for mode   44=        0.0000001535
 Unscaled step for mode   45=       -0.0000000080
 Unscaled step for mode   46=       -0.0000001463
 Unscaled step for mode   47=        0.0000001435
 Unscaled step for mode   48=       -0.0000000319
 Unscaled step for mode   49=       -0.0000001469
 Unscaled step for mode   50=       -0.0000000449
 Unscaled step for mode   51=        0.0000000976
 Unscaled step for mode   52=        0.0000000312
 Unscaled step for mode   53=       -0.0000000843
 Unscaled step for mode   54=       -0.0000001279
 Unscaled step for mode   55=        0.0000001315
 Unscaled step for mode   56=       -0.0000000393
 Unscaled step for mode   57=        0.0000000863
 Unscaled step for mode   58=       -0.0000001727
 Unscaled step for mode   59=        0.0000000286
 Unscaled step for mode   60=       -0.0000001705
 Unscaled step for mode   61=       -0.0000002418
 Unscaled step for mode   62=        0.0000001945
 Unscaled step for mode   63=        0.0000001622
 Unscaled step for mode   64=       -0.0000002668
 Unscaled step for mode   65=       -0.0000001878
 Unscaled step for mode   66=        0.0000001174
 Unscaled step for mode   67=        0.0000000928
 Unscaled step for mode   68=       -0.0000000785
 Unscaled step for mode   69=        0.0000000614
 Unscaled step for mode   70=        0.0000002716
 Unscaled step for mode   71=        0.0000000633
 Unscaled step for mode   72=       -0.0000006725
 Unscaled step for mode   73=        0.0000002907
 Unscaled step for mode   74=        0.0000002611
 Unscaled step for mode   75=       -0.0000008575
 Unscaled step for mode   76=        0.0000002639
 Unscaled step for mode   77=       -0.0000004737
 Unscaled step for mode   78=        0.0000001125
 Unscaled step for mode   79=        0.0000000867
 Unscaled step for mode   80=        0.0000002592
 Unscaled step for mode   81=        0.0000003130
 Unscaled step for mode   82=        0.0000001359
 Unscaled step for mode   83=        0.0000002026
 Unscaled step for mode   84=       -0.0000006934
 Unscaled step for mode   85=        0.0000005193
 Unscaled step for mode   86=       -0.0000002039
 Unscaled step for mode   87=        0.0000006775
 Unscaled step for mode   88=       -0.0000001632
 Unscaled step for mode   89=       -0.0000002283
 Unscaled step for mode   90=       -0.0000010704
 Unscaled step for mode   91=        0.0000004462
 Unscaled step for mode   92=       -0.0000011101
 Unscaled step for mode   93=       -0.0000002045
 Unscaled step for mode   94=        0.0000010528
 Unscaled step for mode   95=        0.0000003161
 Unscaled step for mode   96=        0.0000000083
 Unscaled step for mode   97=        0.0000010068
 Unscaled step for mode   98=       -0.0000012826
 Unscaled step for mode   99=       -0.0000032933
 Unscaled step for mode  100=       -0.0000024054
 Unscaled step for mode  101=        0.0000007713
 Unscaled step for mode  102=        0.0000036544
 Unscaled step for mode  103=       -0.0000013083
 Unscaled step for mode  104=       -0.0000041775
 Unscaled step for mode  105=       -0.0000028607
 Unscaled step for mode  106=       -0.0000019042
 Unscaled step for mode  107=       -0.0000040902
 Unscaled step for mode  108=        0.0000005264
 Unscaled step for mode  109=        0.0000050893
 Unscaled step for mode  110=       -0.0008374052
 Unscaled step for mode  111=        0.0001732001
 Unscaled step for mode  112=        0.0013623827
 Unscaled step for mode  113=        0.0041493044
 Unscaled step for mode  114=       -0.1840271997
 Largest modulus ratio of non-zero e/values=           187.7149708    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.127611E-14    0.101904E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.177506E-14    0.100696E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.411888E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.107273E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.763278E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.640357E-15    0.973994E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.610490E-05    0.737152E+03  0.828174E-08 0.100000E-04    0.995187E+00
   8   -0.605938E-05    0.674060E+03  0.898938E-08 0.100000E-04    0.990502E+00
   9   -0.118159E-05    0.627700E+03  0.188242E-08 0.100000E-04    0.979014E+00
  10    0.241179E-05    0.603536E+03 -0.399610E-08 0.100000E-04    0.986429E+00
  11   -0.174261E-05    0.587689E+03  0.296519E-08 0.100000E-04    0.995121E+00
  12   -0.483399E-05    0.573987E+03  0.842179E-08 0.100000E-04    0.982870E+00
  13   -0.363893E-05    0.567093E+03  0.641681E-08 0.100000E-04    0.990721E+00
  14    0.107564E-05    0.484469E+03 -0.222025E-08 0.100000E-04    0.930105E+00
  15    0.195875E-05    0.463669E+03 -0.422446E-08 0.100000E-04    0.983726E+00
  16    0.704684E-05    0.460925E+03 -0.152885E-07 0.100000E-04    0.999497E+00
  17    0.456096E-05    0.441513E+03 -0.103303E-07 0.100000E-04    0.992309E+00
  18    0.483398E-05    0.429255E+03 -0.112613E-07 0.100000E-04    0.998143E+00
  19   -0.183670E-04    0.422025E+03  0.435211E-07 0.100000E-04    0.999222E+00
  20    0.596957E-05    0.408355E+03 -0.146186E-07 0.100000E-04    0.992298E+00
  21    0.616097E-05    0.397092E+03 -0.155152E-07 0.100000E-04    0.993947E+00
  22   -0.973625E-05    0.388697E+03  0.250485E-07 0.100000E-04    0.997845E+00
  23    0.130051E-05    0.368401E+03 -0.353014E-08 0.100000E-04    0.960567E+00
  24   -0.398451E-05    0.361250E+03  0.110298E-07 0.100000E-04    0.990870E+00
  25   -0.223907E-04    0.350402E+03  0.639000E-07 0.100000E-04    0.997872E+00
  26   -0.353511E-04    0.335328E+03  0.105422E-06 0.100000E-04    0.999776E+00
  27   -0.175652E-04    0.326785E+03  0.537516E-07 0.100000E-04    0.998390E+00
  28    0.137081E-04    0.321482E+03 -0.426404E-07 0.100000E-04    0.996334E+00
  29    0.215662E-04    0.320162E+03 -0.673603E-07 0.100000E-04    0.992401E+00
  30   -0.249343E-04    0.311402E+03  0.800709E-07 0.100000E-04    0.998378E+00
  31   -0.195178E-04    0.303133E+03  0.643868E-07 0.100000E-04    0.992568E+00
  32   -0.861373E-05    0.289156E+03  0.297893E-07 0.100000E-04    0.997331E+00
  33    0.138333E-04    0.278511E+03 -0.496687E-07 0.100000E-04    0.998069E+00
  34    0.145137E-04    0.271108E+03 -0.535348E-07 0.100000E-04    0.997139E+00
  35    0.246416E-04    0.267376E+03 -0.921605E-07 0.100000E-04    0.997628E+00
  36    0.213346E-04    0.264573E+03 -0.806378E-07 0.100000E-04    0.996808E+00
  37   -0.204934E-04    0.260573E+03  0.786477E-07 0.100000E-04    0.998668E+00
  38    0.213044E-05    0.253927E+03 -0.838995E-08 0.100000E-04    0.972777E+00
  39   -0.210766E-04    0.242006E+03  0.870914E-07 0.100000E-04    0.999451E+00
  40   -0.207803E-04    0.239012E+03  0.869425E-07 0.100000E-04    0.992788E+00
  41   -0.444684E-04    0.234367E+03  0.189738E-06 0.100000E-04    0.997522E+00
  42   -0.162565E-04    0.228210E+03  0.712347E-07 0.100000E-04    0.993506E+00
  43   -0.184419E-04    0.218955E+03  0.842269E-07 0.100000E-04    0.993285E+00
  44   -0.328758E-04    0.214209E+03  0.153475E-06 0.100000E-04    0.994070E+00
  45    0.170625E-05    0.212682E+03 -0.802253E-08 0.100000E-04    0.977470E+00
  46    0.303004E-04    0.207171E+03 -0.146258E-06 0.100000E-04    0.996104E+00
  47   -0.292061E-04    0.203562E+03  0.143475E-06 0.100000E-04    0.999957E+00
  48    0.628665E-05    0.197051E+03 -0.319037E-07 0.100000E-04    0.999588E+00
  49    0.286480E-04    0.195066E+03 -0.146863E-06 0.100000E-04    0.995045E+00
  50    0.860016E-05    0.191432E+03 -0.449254E-07 0.100000E-04    0.977617E+00
  51   -0.179266E-04    0.183706E+03  0.975829E-07 0.100000E-04    0.995643E+00
  52   -0.545304E-05    0.174506E+03  0.312485E-07 0.100000E-04    0.988088E+00
  53    0.145164E-04    0.172146E+03 -0.843263E-07 0.100000E-04    0.998718E+00
  54    0.214394E-04    0.167642E+03 -0.127887E-06 0.100000E-04    0.994400E+00
  55   -0.216466E-04    0.164564E+03  0.131539E-06 0.100000E-04    0.998747E+00
  56    0.622382E-05    0.158364E+03 -0.393008E-07 0.100000E-04    0.991213E+00
  57   -0.133136E-04    0.154259E+03  0.863063E-07 0.100000E-04    0.996298E+00
  58    0.262007E-04    0.151669E+03 -0.172749E-06 0.100000E-04    0.998695E+00
  59   -0.423212E-05    0.148134E+03  0.285696E-07 0.100000E-04    0.999685E+00
  60    0.244442E-04    0.143396E+03 -0.170466E-06 0.100000E-04    0.997239E+00
  61    0.331949E-04    0.137302E+03 -0.241766E-06 0.100000E-04    0.998654E+00
  62   -0.264435E-04    0.135925E+03  0.194545E-06 0.100000E-04    0.996363E+00
  63   -0.211756E-04    0.130578E+03  0.162167E-06 0.100000E-04    0.990900E+00
  64    0.342316E-04    0.128319E+03 -0.266769E-06 0.100000E-04    0.995844E+00
  65    0.237205E-04    0.126309E+03 -0.187798E-06 0.100000E-04    0.998145E+00
  66   -0.147170E-04    0.125339E+03  0.117417E-06 0.100000E-04    0.989194E+00
  67   -0.111176E-04    0.119839E+03  0.927712E-07 0.100000E-04    0.987766E+00
  68    0.926713E-05    0.118115E+03 -0.784583E-07 0.100000E-04    0.998427E+00
  69   -0.719305E-05    0.117091E+03  0.614312E-07 0.100000E-04    0.996182E+00
  70   -0.300690E-04    0.110712E+03  0.271596E-06 0.100000E-04    0.993539E+00
  71   -0.680809E-05    0.107471E+03  0.633482E-07 0.100000E-04    0.997191E+00
  72    0.703469E-04    0.104598E+03 -0.672544E-06 0.100000E-04    0.998752E+00
  73   -0.299697E-04    0.103080E+03  0.290742E-06 0.100000E-04    0.999472E+00
  74   -0.260349E-04    0.997165E+02  0.261089E-06 0.100000E-04    0.993880E+00
  75    0.821224E-04    0.957646E+02 -0.857544E-06 0.100000E-04    0.998857E+00
  76   -0.248452E-04    0.941442E+02  0.263906E-06 0.100000E-04    0.984528E+00
  77    0.443398E-04    0.935958E+02 -0.473737E-06 0.100000E-04    0.991034E+00
  78   -0.102100E-04    0.907243E+02  0.112538E-06 0.100000E-04    0.969451E+00
  79   -0.775502E-05    0.894061E+02  0.867392E-07 0.100000E-04    0.987501E+00
  80   -0.220711E-04    0.851588E+02  0.259176E-06 0.100000E-04    0.997513E+00
  81   -0.253233E-04    0.808960E+02  0.313035E-06 0.100000E-04    0.997833E+00
  82   -0.108660E-04    0.799398E+02  0.135927E-06 0.100000E-04    0.975303E+00
  83   -0.158510E-04    0.782246E+02  0.202635E-06 0.100000E-04    0.990300E+00
  84    0.505640E-04    0.729227E+02 -0.693393E-06 0.100000E-04    0.999694E+00
  85   -0.376364E-04    0.724787E+02  0.519275E-06 0.100000E-04    0.989182E+00
  86    0.139170E-04    0.682410E+02 -0.203939E-06 0.100000E-04    0.989200E+00
  87   -0.446309E-04    0.658789E+02  0.677469E-06 0.100000E-04    0.999486E+00
  88    0.102661E-04    0.628985E+02 -0.163218E-06 0.100000E-04    0.998015E+00
  89    0.136849E-04    0.599357E+02 -0.228326E-06 0.100000E-04    0.982614E+00
  90    0.637414E-04    0.595475E+02 -0.107043E-05 0.100000E-04    0.997627E+00
  91   -0.263417E-04    0.590290E+02  0.446250E-06 0.100000E-04    0.981580E+00
  92    0.622229E-04    0.560496E+02 -0.111014E-05 0.100000E-04    0.997110E+00
  93    0.107606E-04    0.526265E+02 -0.204471E-06 0.100000E-04    0.954899E+00
  94   -0.550837E-04    0.523191E+02  0.105284E-05 0.100000E-04    0.999025E+00
  95   -0.158101E-04    0.500239E+02  0.316051E-06 0.100000E-04    0.973898E+00
  96   -0.392757E-06    0.472421E+02  0.831371E-08 0.100000E-04    0.855069E+00
  97   -0.431719E-04    0.428806E+02  0.100679E-05 0.100000E-04    0.992266E+00
  98    0.519940E-04    0.405394E+02 -0.128255E-05 0.100000E-04    0.999560E+00
  99    0.124002E-03    0.376529E+02 -0.329329E-05 0.100000E-04    0.996355E+00
 100    0.873617E-04    0.363191E+02 -0.240539E-05 0.100000E-04    0.999096E+00
 101   -0.261579E-04    0.339162E+02  0.771250E-06 0.100000E-04    0.987037E+00
 102   -0.105224E-03    0.287940E+02  0.365436E-05 0.100000E-04    0.998536E+00
 103    0.373896E-04    0.285793E+02 -0.130828E-05 0.100000E-04    0.992501E+00
 104    0.112947E-03    0.270370E+02 -0.417750E-05 0.100000E-04    0.998487E+00
 105    0.660796E-04    0.230987E+02 -0.286075E-05 0.100000E-04    0.995913E+00
 106    0.400545E-04    0.210351E+02 -0.190418E-05 0.100000E-04    0.995169E+00
 107    0.843273E-04    0.206167E+02 -0.409024E-05 0.100000E-04    0.995115E+00
 108   -0.882922E-05    0.167729E+02  0.526399E-06 0.100000E-04    0.946737E+00
 109   -0.703215E-04    0.138174E+02  0.508932E-05 0.100000E-04    0.996068E+00
 110    0.102490E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.462618E+00
 111   -0.172784E-02    0.997599E+01  0.100000E-04 0.100000E-04    0.651422E+00
 112   -0.117541E-01    0.862760E+01  0.143640E-04 0.143640E-04    0.519945E-02
 113   -0.278145E-01    0.670331E+01  0.244213E-04 0.244213E-04    0.262797E+00
 114   -0.748002E+00    0.392697E+01 -0.400000E-03 0.400000E-03    0.108223E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1840271997    

 Beginning of optimization cycle  389.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3399170824
 potential> RMS force:                                               0.0702665439   |gradient|=.7502413880    
 Eigenvalues of the Hessian matrix:
   737.21625    674.06756    627.71322    603.52288    587.67974    574.02906 
   567.09281    484.49580    463.64556    460.91898    441.51577    429.24851 
   422.02777    408.36021    397.08693    388.69295    368.41030    361.24201 
   350.39460    335.31838    326.80083    321.48534    320.15477    311.38377 
   303.11747    289.16601    278.50724    271.11679    267.38427    264.57761 
   260.59195    253.92578    242.00088    239.02475    234.35627    228.20365 
   218.93377    214.21640    212.68928    207.17039    203.56082    197.04183 
   195.06222    191.43000    183.69680    174.49739    172.15001    167.64492 
   164.55524    158.35213    154.26430    151.67490    148.12399    143.39816 
   137.30574    135.92575    130.57706    128.32375    126.31295    125.33392 
   119.84075    118.11605    117.09197    110.70753    107.46487    104.59563 
   103.07934     99.71565     95.76474     94.12924     93.60599     90.72818 
    89.40012     85.16173     80.89553     79.94199     78.22340     72.92576 
    72.48308     68.24002     65.86811     62.89110     59.93586     59.54240 
    59.02647     56.04950     52.62456     52.31928     50.02335     47.23610 
    42.88139     40.54213     37.65655     36.32138     33.90374     28.79373 
    28.57798     27.02929     23.10083     21.03081     20.61801     16.77182 
    13.81799     12.23892      9.97740      8.62397      6.69487      3.92143 
overlap for current and previous eigenvector    109 is        -0.9999997640
overlap for current and previous eigenvector    110 is        -0.9999996235
overlap for current and previous eigenvector    111 is        -0.9999996240
overlap for current and previous eigenvector    112 is        -0.9999968331
overlap for current and previous eigenvector    113 is        -0.9999969372
overlap for current and previous eigenvector    114 is        -0.9999997123
J1,K1,R1,R2,RAT=   7   7   -0.6326643986E-02     2.006151347        0.9936733560    
FOB,PFOB,DIAG,PSTEP=   -0.6143525821E-05   -0.6104898913E-05     737.2162539        0.8281740957E-08
J1,K1,R1,R2,RAT=   8   8    0.3552614801E-02     1.996425100        0.9964250999    
FOB,PFOB,DIAG,PSTEP=   -0.6037854998E-05   -0.6059381887E-05     674.0675588        0.8989379962E-08
J1,K1,R1,R2,RAT=   9   9    0.1558274919E-02     1.998399561        0.9983995609    
FOB,PFOB,DIAG,PSTEP=   -0.1179752334E-05   -0.1181593620E-05     627.7132180        0.1882417794E-08
J1,K1,R1,R2,RAT=  10  10   -0.2340737620E-01     2.023451525        0.9765926238    
FOB,PFOB,DIAG,PSTEP=    0.2468246360E-05    0.2411793841E-05     603.5228788       -0.3996104683E-08
J1,K1,R1,R2,RAT=  11  11   -0.9976232804E-02     2.010008769        0.9900237672    
FOB,PFOB,DIAG,PSTEP=   -0.1759997639E-05   -0.1742613207E-05     587.6797417        0.2965194705E-08
J1,K1,R1,R2,RAT= 109 109     1.998094833        0.1826706636E-02    0.9980948332    
FOB,PFOB,DIAG,PSTEP=    0.7019301531E-04   -0.7032147706E-04     13.81799181        0.5089323894E-05
J1,K1,R1,R2,RAT= 110 110     168.0370239       -0.5551698939        0.4448301061    
FOB,PFOB,DIAG,PSTEP=   -0.1031692884E-01    0.1024898206E-01     12.23891641       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     34.28690895        0.3482105011        0.6517894989    
FOB,PFOB,DIAG,PSTEP=    0.1693100327E-02   -0.1727842691E-02     9.977402811        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     190.5883731       -0.8141155856        0.1858844144    
FOB,PFOB,DIAG,PSTEP=    0.1185496475E-01   -0.1175411641E-01     8.623972319        0.1436399775E-04
J1,K1,R1,R2,RAT= 113 113     341.1150619       -0.8703105242        0.1296894758    
FOB,PFOB,DIAG,PSTEP=    0.2795682901E-01   -0.2781453566E-01     6.694874564        0.2442125233E-04
J1,K1,R1,R2,RAT= 114 114    -954.7246523        0.9893665603        0.1063343974E-01
FOB,PFOB,DIAG,PSTEP=    0.7495535870       -0.7480016933         3.921432417       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
     0.00002     -0.00001      0.00001      0.00003      0.00000      0.00002 
     0.00003     -0.00003     -0.00002      0.00003      0.00002     -0.00001 
    -0.00001      0.00001     -0.00001      0.00003     -0.00001      0.00007 
    -0.00003      0.00003      0.00008     -0.00003      0.00004      0.00001 
     0.00001      0.00002     -0.00003      0.00001      0.00002     -0.00005 
     0.00004      0.00001     -0.00004      0.00001      0.00001      0.00006 
    -0.00003      0.00006      0.00001      0.00006      0.00002     -0.00000 
     0.00004     -0.00005      0.00012      0.00009     -0.00003      0.00011 
     0.00004      0.00011      0.00007     -0.00004     -0.00008      0.00001 
     0.00007     -0.01032      0.00169      0.01185      0.02796      0.74955 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4152677404
 Log product of positive Hessian eigenvalues =          519.5795491484
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9214324167
 Unscaled step for mode    7=        0.0000000083
 Unscaled step for mode    8=        0.0000000090
 Unscaled step for mode    9=        0.0000000019
 Unscaled step for mode   10=       -0.0000000041
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000084
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000022
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000113
 Unscaled step for mode   19=        0.0000000437
 Unscaled step for mode   20=       -0.0000000146
 Unscaled step for mode   21=       -0.0000000155
 Unscaled step for mode   22=        0.0000000252
 Unscaled step for mode   23=       -0.0000000034
 Unscaled step for mode   24=        0.0000000111
 Unscaled step for mode   25=        0.0000000640
 Unscaled step for mode   26=        0.0000001056
 Unscaled step for mode   27=        0.0000000538
 Unscaled step for mode   28=       -0.0000000426
 Unscaled step for mode   29=       -0.0000000682
 Unscaled step for mode   30=        0.0000000798
 Unscaled step for mode   31=        0.0000000644
 Unscaled step for mode   32=        0.0000000299
 Unscaled step for mode   33=       -0.0000000500
 Unscaled step for mode   34=       -0.0000000539
 Unscaled step for mode   35=       -0.0000000920
 Unscaled step for mode   36=       -0.0000000807
 Unscaled step for mode   37=        0.0000000788
 Unscaled step for mode   38=       -0.0000000086
 Unscaled step for mode   39=        0.0000000873
 Unscaled step for mode   40=        0.0000000876
 Unscaled step for mode   41=        0.0000001900
 Unscaled step for mode   42=        0.0000000713
 Unscaled step for mode   43=        0.0000000842
 Unscaled step for mode   44=        0.0000001537
 Unscaled step for mode   45=       -0.0000000086
 Unscaled step for mode   46=       -0.0000001466
 Unscaled step for mode   47=        0.0000001430
 Unscaled step for mode   48=       -0.0000000322
 Unscaled step for mode   49=       -0.0000001467
 Unscaled step for mode   50=       -0.0000000461
 Unscaled step for mode   51=        0.0000000975
 Unscaled step for mode   52=       -0.0000000314
 Unscaled step for mode   53=        0.0000000846
 Unscaled step for mode   54=        0.0000001280
 Unscaled step for mode   55=       -0.0000001316
 Unscaled step for mode   56=        0.0000000395
 Unscaled step for mode   57=       -0.0000000869
 Unscaled step for mode   58=       -0.0000001729
 Unscaled step for mode   59=       -0.0000000292
 Unscaled step for mode   60=       -0.0000001706
 Unscaled step for mode   61=       -0.0000002437
 Unscaled step for mode   62=        0.0000001942
 Unscaled step for mode   63=        0.0000001632
 Unscaled step for mode   64=       -0.0000002680
 Unscaled step for mode   65=       -0.0000001893
 Unscaled step for mode   66=        0.0000001172
 Unscaled step for mode   67=        0.0000000926
 Unscaled step for mode   68=       -0.0000000786
 Unscaled step for mode   69=        0.0000000622
 Unscaled step for mode   70=       -0.0000002707
 Unscaled step for mode   71=        0.0000000633
 Unscaled step for mode   72=       -0.0000006760
 Unscaled step for mode   73=        0.0000002911
 Unscaled step for mode   74=       -0.0000002616
 Unscaled step for mode   75=       -0.0000008586
 Unscaled step for mode   76=        0.0000002694
 Unscaled step for mode   77=       -0.0000004707
 Unscaled step for mode   78=       -0.0000001125
 Unscaled step for mode   79=       -0.0000000872
 Unscaled step for mode   80=       -0.0000002584
 Unscaled step for mode   81=        0.0000003137
 Unscaled step for mode   82=       -0.0000001360
 Unscaled step for mode   83=       -0.0000002007
 Unscaled step for mode   84=        0.0000006992
 Unscaled step for mode   85=       -0.0000005207
 Unscaled step for mode   86=       -0.0000002070
 Unscaled step for mode   87=        0.0000006795
 Unscaled step for mode   88=       -0.0000001650
 Unscaled step for mode   89=       -0.0000002176
 Unscaled step for mode   90=       -0.0000010731
 Unscaled step for mode   91=        0.0000004603
 Unscaled step for mode   92=       -0.0000011063
 Unscaled step for mode   93=       -0.0000001990
 Unscaled step for mode   94=       -0.0000010579
 Unscaled step for mode   95=       -0.0000003196
 Unscaled step for mode   96=        0.0000000018
 Unscaled step for mode   97=       -0.0000010186
 Unscaled step for mode   98=        0.0000012902
 Unscaled step for mode   99=       -0.0000033059
 Unscaled step for mode  100=       -0.0000024002
 Unscaled step for mode  101=        0.0000007915
 Unscaled step for mode  102=       -0.0000036700
 Unscaled step for mode  103=       -0.0000013145
 Unscaled step for mode  104=       -0.0000042182
 Unscaled step for mode  105=       -0.0000028711
 Unscaled step for mode  106=        0.0000020253
 Unscaled step for mode  107=        0.0000039916
 Unscaled step for mode  108=       -0.0000006005
 Unscaled step for mode  109=       -0.0000050798
 Unscaled step for mode  110=        0.0008429604
 Unscaled step for mode  111=       -0.0001696935
 Unscaled step for mode  112=       -0.0013746499
 Unscaled step for mode  113=       -0.0041757827
 Unscaled step for mode  114=        0.1846272749
 Largest modulus ratio of non-zero e/values=           187.9966746    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.212504E-16    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.612683E-15    0.100696E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.283681E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.781508E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.102305E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.512597E-15    0.973995E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.614353E-05    0.737216E+03  0.833341E-08 0.100000E-04    0.993673E+00
   8   -0.603785E-05    0.674068E+03  0.895734E-08 0.100000E-04    0.996425E+00
   9   -0.117975E-05    0.627713E+03  0.187944E-08 0.100000E-04    0.998400E+00
  10    0.246825E-05    0.603523E+03 -0.408973E-08 0.100000E-04    0.976593E+00
  11   -0.176000E-05    0.587680E+03  0.299482E-08 0.100000E-04    0.990024E+00
  12   -0.481790E-05    0.574029E+03  0.839313E-08 0.100000E-04    0.996523E+00
  13   -0.361173E-05    0.567093E+03  0.636885E-08 0.100000E-04    0.992525E+00
  14    0.108869E-05    0.484496E+03 -0.224706E-08 0.100000E-04    0.987868E+00
  15    0.194713E-05    0.463646E+03 -0.419962E-08 0.100000E-04    0.994068E+00
  16    0.708834E-05    0.460919E+03 -0.153787E-07 0.100000E-04    0.994111E+00
  17    0.461042E-05    0.441516E+03 -0.104422E-07 0.100000E-04    0.989157E+00
  18    0.483814E-05    0.429249E+03 -0.112712E-07 0.100000E-04    0.999139E+00
  19   -0.184350E-04    0.422028E+03  0.436820E-07 0.100000E-04    0.996298E+00
  20    0.597608E-05    0.408360E+03 -0.146343E-07 0.100000E-04    0.998910E+00
  21    0.617016E-05    0.397087E+03 -0.155386E-07 0.100000E-04    0.998508E+00
  22   -0.978274E-05    0.388693E+03  0.251683E-07 0.100000E-04    0.995225E+00
  23    0.124934E-05    0.368410E+03 -0.339116E-08 0.100000E-04    0.960604E+00
  24   -0.401752E-05    0.361242E+03  0.111214E-07 0.100000E-04    0.991715E+00
  25   -0.224374E-04    0.350395E+03  0.640348E-07 0.100000E-04    0.997913E+00
  26   -0.354217E-04    0.335318E+03  0.105636E-06 0.100000E-04    0.998004E+00
  27   -0.175724E-04    0.326801E+03  0.537711E-07 0.100000E-04    0.999588E+00
  28    0.136826E-04    0.321485E+03 -0.425605E-07 0.100000E-04    0.998116E+00
  29    0.218247E-04    0.320155E+03 -0.681691E-07 0.100000E-04    0.988017E+00
  30   -0.248352E-04    0.311384E+03  0.797575E-07 0.100000E-04    0.996027E+00
  31   -0.195312E-04    0.303117E+03  0.644345E-07 0.100000E-04    0.999312E+00
  32   -0.865268E-05    0.289166E+03  0.299229E-07 0.100000E-04    0.995479E+00
  33    0.139305E-04    0.278507E+03 -0.500183E-07 0.100000E-04    0.992976E+00
  34    0.146265E-04    0.271117E+03 -0.539489E-07 0.100000E-04    0.992233E+00
  35    0.245865E-04    0.267384E+03 -0.919518E-07 0.100000E-04    0.997705E+00
  36    0.213475E-04    0.264578E+03 -0.806851E-07 0.100000E-04    0.999398E+00
  37   -0.205393E-04    0.260592E+03  0.788177E-07 0.100000E-04    0.997764E+00
  38    0.218611E-05    0.253926E+03 -0.860923E-08 0.100000E-04    0.973869E+00
  39   -0.211324E-04    0.242001E+03  0.873236E-07 0.100000E-04    0.997353E+00
  40   -0.209412E-04    0.239025E+03  0.876112E-07 0.100000E-04    0.992254E+00
  41   -0.445186E-04    0.234356E+03  0.189961E-06 0.100000E-04    0.998870E+00
  42   -0.162726E-04    0.228204E+03  0.713075E-07 0.100000E-04    0.999005E+00
  43   -0.184345E-04    0.218934E+03  0.842011E-07 0.100000E-04    0.999599E+00
  44   -0.329321E-04    0.214216E+03  0.153733E-06 0.100000E-04    0.998287E+00
  45    0.183801E-05    0.212689E+03 -0.864176E-08 0.100000E-04    0.922782E+00
  46    0.303735E-04    0.207170E+03 -0.146611E-06 0.100000E-04    0.997586E+00
  47   -0.291149E-04    0.203561E+03  0.143028E-06 0.100000E-04    0.996877E+00
  48    0.634890E-05    0.197042E+03 -0.322211E-07 0.100000E-04    0.990098E+00
  49    0.286185E-04    0.195062E+03 -0.146715E-06 0.100000E-04    0.998970E+00
  50    0.881752E-05    0.191430E+03 -0.460614E-07 0.100000E-04    0.974725E+00
  51   -0.179055E-04    0.183697E+03  0.974731E-07 0.100000E-04    0.998823E+00
  52    0.548235E-05    0.174497E+03 -0.314180E-07 0.100000E-04    0.994625E+00
  53   -0.145701E-04    0.172150E+03  0.846358E-07 0.100000E-04    0.996304E+00
  54   -0.214607E-04    0.167645E+03  0.128013E-06 0.100000E-04    0.999006E+00
  55    0.216616E-04    0.164555E+03 -0.131637E-06 0.100000E-04    0.999307E+00
  56   -0.625758E-05    0.158352E+03  0.395169E-07 0.100000E-04    0.994576E+00
  57    0.134080E-04    0.154264E+03 -0.869158E-07 0.100000E-04    0.992907E+00
  58    0.262262E-04    0.151675E+03 -0.172910E-06 0.100000E-04    0.999028E+00
  59    0.432076E-05    0.148124E+03 -0.291699E-07 0.100000E-04    0.979054E+00
  60    0.244591E-04    0.143398E+03 -0.170568E-06 0.100000E-04    0.999390E+00
  61    0.334627E-04    0.137306E+03 -0.243709E-06 0.100000E-04    0.991935E+00
  62   -0.264013E-04    0.135926E+03  0.194233E-06 0.100000E-04    0.998393E+00
  63   -0.213131E-04    0.130577E+03  0.163222E-06 0.100000E-04    0.993505E+00
  64    0.343880E-04    0.128324E+03 -0.267978E-06 0.100000E-04    0.995431E+00
  65    0.239053E-04    0.126313E+03 -0.189254E-06 0.100000E-04    0.992210E+00
  66   -0.146878E-04    0.125334E+03  0.117189E-06 0.100000E-04    0.998016E+00
  67   -0.110915E-04    0.119841E+03  0.925519E-07 0.100000E-04    0.997623E+00
  68    0.928858E-05    0.118116E+03 -0.786394E-07 0.100000E-04    0.997686E+00
  69   -0.728829E-05    0.117092E+03  0.622442E-07 0.100000E-04    0.986759E+00
  70    0.299660E-04    0.110708E+03 -0.270677E-06 0.100000E-04    0.996573E+00
  71   -0.680014E-05    0.107465E+03  0.632778E-07 0.100000E-04    0.998832E+00
  72    0.707110E-04    0.104596E+03 -0.676042E-06 0.100000E-04    0.994824E+00
  73   -0.300061E-04    0.103079E+03  0.291097E-06 0.100000E-04    0.998786E+00
  74    0.260895E-04    0.997156E+02 -0.261639E-06 0.100000E-04    0.997901E+00
  75    0.822229E-04    0.957647E+02 -0.858592E-06 0.100000E-04    0.998776E+00
  76   -0.253552E-04    0.941292E+02  0.269366E-06 0.100000E-04    0.979469E+00
  77    0.440639E-04    0.936060E+02 -0.470738E-06 0.100000E-04    0.993561E+00
  78    0.102098E-04    0.907282E+02 -0.112532E-06 0.100000E-04    0.999902E+00
  79    0.779420E-05    0.894001E+02 -0.871833E-07 0.100000E-04    0.994948E+00
  80    0.220070E-04    0.851617E+02 -0.258414E-06 0.100000E-04    0.997025E+00
  81   -0.253749E-04    0.808955E+02  0.313675E-06 0.100000E-04    0.997962E+00
  82    0.108725E-04    0.799420E+02 -0.136004E-06 0.100000E-04    0.999405E+00
  83    0.156969E-04    0.782234E+02 -0.200667E-06 0.100000E-04    0.990274E+00
  84   -0.509918E-04    0.729258E+02  0.699228E-06 0.100000E-04    0.991541E+00
  85    0.377383E-04    0.724831E+02 -0.520650E-06 0.100000E-04    0.997292E+00
  86    0.141269E-04    0.682400E+02 -0.207018E-06 0.100000E-04    0.984917E+00
  87   -0.447558E-04    0.658681E+02  0.679476E-06 0.100000E-04    0.997202E+00
  88    0.103783E-04    0.628911E+02 -0.165020E-06 0.100000E-04    0.989072E+00
  89    0.130424E-04    0.599359E+02 -0.217606E-06 0.100000E-04    0.953047E+00
  90    0.638974E-04    0.595424E+02 -0.107314E-05 0.100000E-04    0.997552E+00
  91   -0.271677E-04    0.590265E+02  0.460263E-06 0.100000E-04    0.968641E+00
  92    0.620076E-04    0.560495E+02 -0.110630E-05 0.100000E-04    0.996539E+00
  93    0.104710E-04    0.526246E+02 -0.198975E-06 0.100000E-04    0.973084E+00
  94    0.553502E-04    0.523193E+02 -0.105793E-05 0.100000E-04    0.995162E+00
  95    0.159889E-04    0.500233E+02 -0.319629E-06 0.100000E-04    0.988691E+00
  96   -0.858190E-07    0.472361E+02  0.181681E-08 0.100000E-04    0.218404E+00
  97    0.436786E-04    0.428814E+02 -0.101859E-05 0.100000E-04    0.988263E+00
  98   -0.523071E-04    0.405421E+02  0.129019E-05 0.100000E-04    0.993977E+00
  99    0.124490E-03    0.376565E+02 -0.330593E-05 0.100000E-04    0.996067E+00
 100    0.871795E-04    0.363214E+02 -0.240023E-05 0.100000E-04    0.997791E+00
 101   -0.268356E-04    0.339037E+02  0.791523E-06 0.100000E-04    0.974082E+00
 102    0.105673E-03    0.287937E+02 -0.367001E-05 0.100000E-04    0.995726E+00
 103    0.375659E-04    0.285780E+02 -0.131451E-05 0.100000E-04    0.995284E+00
 104    0.114016E-03    0.270293E+02 -0.421823E-05 0.100000E-04    0.990536E+00
 105    0.663248E-04    0.231008E+02 -0.287110E-05 0.100000E-04    0.996290E+00
 106   -0.425927E-04    0.210308E+02  0.202525E-05 0.100000E-04    0.936618E+00
 107   -0.822978E-04    0.206180E+02  0.399155E-05 0.100000E-04    0.975806E+00
 108    0.100723E-04    0.167718E+02 -0.600547E-06 0.100000E-04    0.859204E+00
 109    0.701930E-04    0.138180E+02 -0.507983E-05 0.100000E-04    0.998095E+00
 110   -0.103169E-01    0.122389E+02  0.100000E-04 0.100000E-04    0.444830E+00
 111    0.169310E-02    0.997740E+01 -0.100000E-04 0.100000E-04    0.651789E+00
 112    0.118550E-01    0.862397E+01 -0.156568E-04 0.156568E-04    0.185884E+00
 113    0.279568E-01    0.669487E+01 -0.266192E-04 0.266192E-04    0.129689E+00
 114    0.749554E+00    0.392143E+01  0.400000E-03 0.400000E-03    0.106334E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1846272749    

 Beginning of optimization cycle  390.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3396179944
 potential> RMS force:                                               0.0704122054   |gradient|=.7517966269    
 Eigenvalues of the Hessian matrix:
   737.28105    674.07494    627.72673    603.50929    587.67014    574.07147 
   567.09253    484.52253    463.62218    460.91289    441.51841    429.24200 
   422.02994    408.36520    397.08181    388.68914    368.42009    361.23398 
   350.38685    335.30863    326.81724    321.48833    320.14708    311.36540 
   303.10144    289.17637    278.50340    271.12561    267.39204    264.58191 
   260.61148    253.92437    241.99623    239.03803    234.34567    228.19728 
   218.91303    214.22371    212.69612    207.16956    203.55965    197.03268 
   195.05850    191.42829    183.68732    174.48885    172.15432    167.64748 
   164.54629    158.34061    154.26930    151.68078    148.11421    143.40014 
   137.30977    135.92660    130.57560    128.32826    126.31708    125.32845 
   119.84231    118.11674    117.09282    110.70263    107.45893    104.59307 
   103.07854     99.71479     95.76490     94.11421     93.61609     90.73203 
    89.39409     85.16473     80.89511     79.94422     78.22221     72.92888 
    72.48735     68.23906     65.85728     62.88363     59.93614     59.53736 
    59.02389     56.04940     52.62261     52.31937     50.02284     47.23002 
    42.88229     40.54488     37.66020     36.32362     33.89125     28.79348 
    28.57667     27.02162     23.10292     21.02670     20.61920     16.77077 
    13.81854     12.23887      9.97880      8.62056      6.68646      3.91588 
overlap for current and previous eigenvector    109 is        -0.9999997686
overlap for current and previous eigenvector    110 is        -0.9999996271
overlap for current and previous eigenvector    111 is        -0.9999996313
overlap for current and previous eigenvector    112 is         0.9999970177
overlap for current and previous eigenvector    113 is         0.9999971023
overlap for current and previous eigenvector    114 is         0.9999997003
J1,K1,R1,R2,RAT=   7   7   -0.5983605136E-02     2.005807846        0.9940163949    
FOB,PFOB,DIAG,PSTEP=   -0.6180289484E-05   -0.6143525821E-05     737.2810459        0.8333410703E-08
J1,K1,R1,R2,RAT=   8   8   -0.7719331699E-02     2.007697446        0.9922806683    
FOB,PFOB,DIAG,PSTEP=   -0.6084463713E-05   -0.6037854998E-05     674.0749352        0.8957343992E-08
J1,K1,R1,R2,RAT=   9   9   -0.6954127767E-01     2.069498239        0.9304587223    
FOB,PFOB,DIAG,PSTEP=   -0.1261795584E-05   -0.1179752334E-05     627.7267264        0.1879444784E-08
J1,K1,R1,R2,RAT=  10  10   -0.3207892471E-03     2.000365835        0.9996792108    
FOB,PFOB,DIAG,PSTEP=    0.2469038129E-05    0.2468246360E-05     603.5092861       -0.4089731221E-08
J1,K1,R1,R2,RAT=  11  11    0.1489614229E-01     1.985136538        0.9851038577    
FOB,PFOB,DIAG,PSTEP=   -0.1733780892E-05   -0.1759997639E-05     587.6701390        0.2994824416E-08
J1,K1,R1,R2,RAT= 109 109     2.013578156       -0.1365803410E-01    0.9863419659    
FOB,PFOB,DIAG,PSTEP=   -0.7115175219E-04    0.7019301531E-04     13.81854371       -0.5079827537E-05
J1,K1,R1,R2,RAT= 110 110     169.1370225       -0.5441837639        0.4558162361    
FOB,PFOB,DIAG,PSTEP=    0.1038353078E-01   -0.1031692884E-01     12.23886959        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     33.58998154        0.3439501586        0.6560498414    
FOB,PFOB,DIAG,PSTEP=   -0.1658778213E-02    0.1693100327E-02     9.978804353       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7395715688         176.4076551        0.2604284312    
FOB,PFOB,DIAG,PSTEP=    0.1195478476E-01    0.1185496475E-01     8.620561866       -0.1565675754E-04
J1,K1,R1,R2,RAT= 113 113   -0.8157443250         314.9587313        0.1842556750    
FOB,PFOB,DIAG,PSTEP=    0.2810202165E-01    0.2795682901E-01     6.686457804       -0.2661916504E-04
J1,K1,R1,R2,RAT= 114 114    0.9888091557        -958.0589101        0.1119084435E-01
FOB,PFOB,DIAG,PSTEP=    0.7511024086        0.7495535870         3.915876100        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
    -0.00002      0.00001     -0.00001     -0.00003      0.00000      0.00002 
    -0.00003      0.00003      0.00002     -0.00003     -0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001      0.00007 
     0.00003      0.00003      0.00008     -0.00003      0.00004     -0.00001 
    -0.00001      0.00002     -0.00003      0.00001      0.00002      0.00005 
     0.00004      0.00001     -0.00004      0.00001      0.00001      0.00006 
    -0.00003      0.00006      0.00001     -0.00006     -0.00002      0.00000 
     0.00004      0.00005     -0.00012     -0.00009     -0.00003      0.00011 
     0.00004      0.00012     -0.00007      0.00004      0.00008     -0.00001 
    -0.00007      0.01038     -0.00166      0.01195      0.02810      0.75110 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4150575080
 Log product of positive Hessian eigenvalues =          519.5753520353
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9158761005
 Unscaled step for mode    7=        0.0000000084
 Unscaled step for mode    8=        0.0000000090
 Unscaled step for mode    9=        0.0000000020
 Unscaled step for mode   10=       -0.0000000041
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000086
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000024
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000437
 Unscaled step for mode   20=       -0.0000000144
 Unscaled step for mode   21=       -0.0000000154
 Unscaled step for mode   22=        0.0000000254
 Unscaled step for mode   23=       -0.0000000036
 Unscaled step for mode   24=        0.0000000114
 Unscaled step for mode   25=        0.0000000640
 Unscaled step for mode   26=        0.0000001057
 Unscaled step for mode   27=        0.0000000537
 Unscaled step for mode   28=       -0.0000000423
 Unscaled step for mode   29=       -0.0000000688
 Unscaled step for mode   30=        0.0000000799
 Unscaled step for mode   31=        0.0000000648
 Unscaled step for mode   32=        0.0000000303
 Unscaled step for mode   33=       -0.0000000501
 Unscaled step for mode   34=       -0.0000000543
 Unscaled step for mode   35=       -0.0000000922
 Unscaled step for mode   36=       -0.0000000813
 Unscaled step for mode   37=        0.0000000788
 Unscaled step for mode   38=       -0.0000000089
 Unscaled step for mode   39=        0.0000000874
 Unscaled step for mode   40=        0.0000000887
 Unscaled step for mode   41=        0.0000001907
 Unscaled step for mode   42=        0.0000000722
 Unscaled step for mode   43=        0.0000000847
 Unscaled step for mode   44=        0.0000001550
 Unscaled step for mode   45=       -0.0000000087
 Unscaled step for mode   46=       -0.0000001473
 Unscaled step for mode   47=        0.0000001432
 Unscaled step for mode   48=       -0.0000000320
 Unscaled step for mode   49=       -0.0000001472
 Unscaled step for mode   50=       -0.0000000453
 Unscaled step for mode   51=        0.0000000975
 Unscaled step for mode   52=       -0.0000000316
 Unscaled step for mode   53=        0.0000000844
 Unscaled step for mode   54=        0.0000001283
 Unscaled step for mode   55=        0.0000001320
 Unscaled step for mode   56=       -0.0000000404
 Unscaled step for mode   57=        0.0000000868
 Unscaled step for mode   58=        0.0000001732
 Unscaled step for mode   59=       -0.0000000299
 Unscaled step for mode   60=       -0.0000001703
 Unscaled step for mode   61=        0.0000002434
 Unscaled step for mode   62=       -0.0000001938
 Unscaled step for mode   63=       -0.0000001620
 Unscaled step for mode   64=        0.0000002690
 Unscaled step for mode   65=        0.0000001884
 Unscaled step for mode   66=       -0.0000001165
 Unscaled step for mode   67=        0.0000000944
 Unscaled step for mode   68=       -0.0000000781
 Unscaled step for mode   69=        0.0000000621
 Unscaled step for mode   70=        0.0000002720
 Unscaled step for mode   71=       -0.0000000639
 Unscaled step for mode   72=       -0.0000006785
 Unscaled step for mode   73=       -0.0000002906
 Unscaled step for mode   74=       -0.0000002605
 Unscaled step for mode   75=       -0.0000008586
 Unscaled step for mode   76=        0.0000002742
 Unscaled step for mode   77=       -0.0000004657
 Unscaled step for mode   78=        0.0000001123
 Unscaled step for mode   79=        0.0000000870
 Unscaled step for mode   80=       -0.0000002576
 Unscaled step for mode   81=        0.0000003151
 Unscaled step for mode   82=       -0.0000001388
 Unscaled step for mode   83=       -0.0000001990
 Unscaled step for mode   84=       -0.0000007006
 Unscaled step for mode   85=       -0.0000005152
 Unscaled step for mode   86=       -0.0000002078
 Unscaled step for mode   87=        0.0000006773
 Unscaled step for mode   88=       -0.0000001701
 Unscaled step for mode   89=       -0.0000002124
 Unscaled step for mode   90=       -0.0000010682
 Unscaled step for mode   91=        0.0000004670
 Unscaled step for mode   92=       -0.0000011054
 Unscaled step for mode   93=       -0.0000001890
 Unscaled step for mode   94=        0.0000010603
 Unscaled step for mode   95=        0.0000003163
 Unscaled step for mode   96=       -0.0000000009
 Unscaled step for mode   97=       -0.0000010090
 Unscaled step for mode   98=       -0.0000012887
 Unscaled step for mode   99=        0.0000032928
 Unscaled step for mode  100=        0.0000023862
 Unscaled step for mode  101=        0.0000007804
 Unscaled step for mode  102=       -0.0000036683
 Unscaled step for mode  103=       -0.0000013305
 Unscaled step for mode  104=       -0.0000042576
 Unscaled step for mode  105=        0.0000028570
 Unscaled step for mode  106=       -0.0000020211
 Unscaled step for mode  107=       -0.0000039208
 Unscaled step for mode  108=        0.0000005351
 Unscaled step for mode  109=        0.0000051490
 Unscaled step for mode  110=       -0.0008484054
 Unscaled step for mode  111=        0.0001662302
 Unscaled step for mode  112=       -0.0013867729
 Unscaled step for mode  113=       -0.0042027522
 Unscaled step for mode  114=        0.1852286267
 Largest modulus ratio of non-zero e/values=           188.2799729    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.240693E-15    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.160440E-14    0.100696E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.769787E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.593367E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.440620E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.623077E-15    0.973997E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.618029E-05    0.737281E+03  0.838254E-08 0.100000E-04    0.994016E+00
   8   -0.608446E-05    0.674075E+03  0.902639E-08 0.100000E-04    0.992281E+00
   9   -0.126180E-05    0.627727E+03  0.201010E-08 0.100000E-04    0.930459E+00
  10    0.246904E-05    0.603509E+03 -0.409114E-08 0.100000E-04    0.999679E+00
  11   -0.173378E-05    0.587670E+03  0.295026E-08 0.100000E-04    0.985104E+00
  12   -0.496124E-05    0.574071E+03  0.864219E-08 0.100000E-04    0.970251E+00
  13   -0.359032E-05    0.567093E+03  0.633111E-08 0.100000E-04    0.994074E+00
  14    0.117783E-05    0.484523E+03 -0.243091E-08 0.100000E-04    0.918128E+00
  15    0.191244E-05    0.463622E+03 -0.412499E-08 0.100000E-04    0.982180E+00
  16    0.708164E-05    0.460913E+03 -0.153644E-07 0.100000E-04    0.999056E+00
  17    0.455536E-05    0.441518E+03 -0.103175E-07 0.100000E-04    0.988046E+00
  18    0.476681E-05    0.429242E+03 -0.111052E-07 0.100000E-04    0.985257E+00
  19   -0.184422E-04    0.422030E+03  0.436987E-07 0.100000E-04    0.999612E+00
  20    0.588696E-05    0.408365E+03 -0.144159E-07 0.100000E-04    0.985063E+00
  21    0.610049E-05    0.397082E+03 -0.153633E-07 0.100000E-04    0.988708E+00
  22   -0.987579E-05    0.388689E+03  0.254079E-07 0.100000E-04    0.990489E+00
  23    0.134241E-05    0.368420E+03 -0.364369E-08 0.100000E-04    0.925506E+00
  24   -0.411003E-05    0.361234E+03  0.113777E-07 0.100000E-04    0.976974E+00
  25   -0.224268E-04    0.350387E+03  0.640058E-07 0.100000E-04    0.999526E+00
  26   -0.354438E-04    0.335309E+03  0.105705E-06 0.100000E-04    0.999375E+00
  27   -0.175504E-04    0.326817E+03  0.537010E-07 0.100000E-04    0.998647E+00
  28    0.136053E-04    0.321488E+03 -0.423198E-07 0.100000E-04    0.994336E+00
  29    0.220319E-04    0.320147E+03 -0.688182E-07 0.100000E-04    0.990502E+00
  30   -0.248774E-04    0.311365E+03  0.798976E-07 0.100000E-04    0.998302E+00
  31   -0.196459E-04    0.303101E+03  0.648162E-07 0.100000E-04    0.994130E+00
  32   -0.877098E-05    0.289176E+03  0.303309E-07 0.100000E-04    0.986327E+00
  33    0.139665E-04    0.278503E+03 -0.501484E-07 0.100000E-04    0.997412E+00
  34    0.147131E-04    0.271126E+03 -0.542666E-07 0.100000E-04    0.994079E+00
  35    0.246477E-04    0.267392E+03 -0.921781E-07 0.100000E-04    0.997510E+00
  36    0.215070E-04    0.264582E+03 -0.812869E-07 0.100000E-04    0.992525E+00
  37   -0.205393E-04    0.260611E+03  0.788120E-07 0.100000E-04    0.999854E+00
  38    0.226662E-05    0.253924E+03 -0.892636E-08 0.100000E-04    0.963170E+00
  39   -0.211388E-04    0.241996E+03  0.873520E-07 0.100000E-04    0.999694E+00
  40   -0.211981E-04    0.239038E+03  0.886809E-07 0.100000E-04    0.987735E+00
  41   -0.446870E-04    0.234346E+03  0.190688E-06 0.100000E-04    0.996217E+00
  42   -0.164650E-04    0.228197E+03  0.721524E-07 0.100000E-04    0.988180E+00
  43   -0.185353E-04    0.218913E+03  0.846697E-07 0.100000E-04    0.994530E+00
  44   -0.332101E-04    0.214224E+03  0.155026E-06 0.100000E-04    0.991558E+00
  45    0.186084E-05    0.212696E+03 -0.874883E-08 0.100000E-04    0.987578E+00
  46    0.305262E-04    0.207170E+03 -0.147349E-06 0.100000E-04    0.994974E+00
  47   -0.291509E-04    0.203560E+03  0.143205E-06 0.100000E-04    0.998765E+00
  48    0.631308E-05    0.197033E+03 -0.320408E-07 0.100000E-04    0.994358E+00
  49    0.287187E-04    0.195059E+03 -0.147231E-06 0.100000E-04    0.996501E+00
  50    0.866943E-05    0.191428E+03 -0.452881E-07 0.100000E-04    0.983204E+00
  51   -0.179056E-04    0.183687E+03  0.974787E-07 0.100000E-04    0.999995E+00
  52    0.551015E-05    0.174489E+03 -0.315788E-07 0.100000E-04    0.994930E+00
  53   -0.145354E-04    0.172154E+03  0.844327E-07 0.100000E-04    0.997574E+00
  54   -0.215025E-04    0.167647E+03  0.128260E-06 0.100000E-04    0.998048E+00
  55   -0.217197E-04    0.164546E+03  0.131998E-06 0.100000E-04    0.997318E+00
  56    0.639071E-05    0.158341E+03 -0.403606E-07 0.100000E-04    0.978723E+00
  57   -0.133846E-04    0.154269E+03  0.867612E-07 0.100000E-04    0.998190E+00
  58   -0.262661E-04    0.151681E+03  0.173167E-06 0.100000E-04    0.998479E+00
  59    0.443204E-05    0.148114E+03 -0.299231E-07 0.100000E-04    0.974245E+00
  60    0.244215E-04    0.143400E+03 -0.170303E-06 0.100000E-04    0.998434E+00
  61   -0.334164E-04    0.137310E+03  0.243365E-06 0.100000E-04    0.998558E+00
  62    0.263483E-04    0.135927E+03 -0.193842E-06 0.100000E-04    0.997980E+00
  63    0.211513E-04    0.130576E+03 -0.161985E-06 0.100000E-04    0.992407E+00
  64   -0.345237E-04    0.128328E+03  0.269026E-06 0.100000E-04    0.996055E+00
  65   -0.237947E-04    0.126317E+03  0.188372E-06 0.100000E-04    0.995308E+00
  66    0.146066E-04    0.125328E+03 -0.116546E-06 0.100000E-04    0.994472E+00
  67   -0.113074E-04    0.119842E+03  0.943525E-07 0.100000E-04    0.980531E+00
  68    0.922527E-05    0.118117E+03 -0.781029E-07 0.100000E-04    0.993172E+00
  69   -0.727300E-05    0.117093E+03  0.621131E-07 0.100000E-04    0.997887E+00
  70   -0.301072E-04    0.110703E+03  0.271965E-06 0.100000E-04    0.995287E+00
  71    0.686458E-05    0.107459E+03 -0.638809E-07 0.100000E-04    0.990524E+00
  72    0.709637E-04    0.104593E+03 -0.678474E-06 0.100000E-04    0.996427E+00
  73    0.299595E-04    0.103079E+03 -0.290647E-06 0.100000E-04    0.998447E+00
  74    0.259765E-04    0.997148E+02 -0.260508E-06 0.100000E-04    0.995668E+00
  75    0.822273E-04    0.957649E+02 -0.858637E-06 0.100000E-04    0.999946E+00
  76   -0.258064E-04    0.941142E+02  0.274203E-06 0.100000E-04    0.982203E+00
  77    0.436011E-04    0.936161E+02 -0.465743E-06 0.100000E-04    0.989281E+00
  78   -0.101890E-04    0.907320E+02  0.112298E-06 0.100000E-04    0.997879E+00
  79   -0.778060E-05    0.893941E+02  0.870371E-07 0.100000E-04    0.998255E+00
  80    0.219352E-04    0.851647E+02 -0.257562E-06 0.100000E-04    0.996665E+00
  81   -0.254912E-04    0.808951E+02  0.315115E-06 0.100000E-04    0.995415E+00
  82    0.110933E-04    0.799442E+02 -0.138763E-06 0.100000E-04    0.979687E+00
  83    0.155693E-04    0.782222E+02 -0.199039E-06 0.100000E-04    0.991872E+00
  84    0.510951E-04    0.729289E+02 -0.700616E-06 0.100000E-04    0.997973E+00
  85    0.373444E-04    0.724874E+02 -0.515185E-06 0.100000E-04    0.989443E+00
  86    0.141806E-04    0.682391E+02 -0.207807E-06 0.100000E-04    0.996203E+00
  87   -0.446047E-04    0.658573E+02  0.677294E-06 0.100000E-04    0.996625E+00
  88    0.106956E-04    0.628836E+02 -0.170086E-06 0.100000E-04    0.969424E+00
  89    0.127291E-04    0.599361E+02 -0.212377E-06 0.100000E-04    0.975966E+00
  90    0.636005E-04    0.595374E+02 -0.106825E-05 0.100000E-04    0.995354E+00
  91   -0.275618E-04    0.590239E+02  0.466959E-06 0.100000E-04    0.985494E+00
  92    0.619565E-04    0.560494E+02 -0.110539E-05 0.100000E-04    0.999176E+00
  93    0.994332E-05    0.526226E+02 -0.188955E-06 0.100000E-04    0.949604E+00
  94   -0.554741E-04    0.523194E+02  0.106030E-05 0.100000E-04    0.997760E+00
  95   -0.158204E-04    0.500228E+02  0.316263E-06 0.100000E-04    0.989458E+00
  96    0.426541E-07    0.472300E+02 -0.903114E-09 0.100000E-04    0.496959E+00
  97    0.432668E-04    0.428823E+02 -0.100897E-05 0.100000E-04    0.990530E+00
  98    0.522507E-04    0.405449E+02 -0.128871E-05 0.100000E-04    0.998786E+00
  99   -0.124008E-03    0.376602E+02  0.329280E-05 0.100000E-04    0.995934E+00
 100   -0.866768E-04    0.363236E+02  0.238624E-05 0.100000E-04    0.994111E+00
 101   -0.264487E-04    0.338913E+02  0.780400E-06 0.100000E-04    0.985580E+00
 102    0.105622E-03    0.287935E+02 -0.366827E-05 0.100000E-04    0.999517E+00
 103    0.380200E-04    0.285767E+02 -0.133045E-05 0.100000E-04    0.987913E+00
 104    0.115046E-03    0.270216E+02 -0.425757E-05 0.100000E-04    0.990957E+00
 105   -0.660058E-04    0.231029E+02  0.285703E-05 0.100000E-04    0.995010E+00
 106    0.424979E-04    0.210267E+02 -0.202114E-05 0.100000E-04    0.997773E+00
 107    0.808432E-04    0.206192E+02 -0.392077E-05 0.100000E-04    0.982210E+00
 108   -0.897436E-05    0.167708E+02  0.535119E-06 0.100000E-04    0.890990E+00
 109   -0.711518E-04    0.138185E+02  0.514901E-05 0.100000E-04    0.986342E+00
 110    0.103835E-01    0.122389E+02 -0.100000E-04 0.100000E-04    0.455816E+00
 111   -0.165878E-02    0.997880E+01  0.100000E-04 0.100000E-04    0.656050E+00
 112    0.119548E-01    0.862056E+01 -0.141052E-04 0.141052E-04    0.260428E+00
 113    0.281020E-01    0.668646E+01 -0.290149E-04 0.290149E-04    0.184256E+00
 114    0.751102E+00    0.391588E+01  0.400000E-03 0.400000E-03    0.111908E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1852286267    

 Beginning of optimization cycle  391.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3393183416
 potential> RMS force:                                               0.0705576194   |gradient|=.7533492235    
 Eigenvalues of the Hessian matrix:
   737.34600    674.08206    627.74026    603.49587    587.66038    574.11410 
   567.09206    484.54919    463.59881    460.90682    441.52104    429.23571 
   422.03218    408.37017    397.07672    388.68538    368.42992    361.22600 
   350.37929    335.29914    326.83375    321.49133    320.13936    311.34712 
   303.08544    289.18679    278.49964    271.13461    267.39991    264.58621 
   260.63136    253.92299    241.99170    239.05141    234.33519    228.19099 
   218.89226    214.23107    212.70299    207.16885    203.55842    197.02349 
   195.05485    191.42653    183.67791    174.48038    172.15858    167.65014 
   164.53728    158.32902    154.27432    151.68666    148.10434    143.40205 
   137.31388    135.92744    130.57407    128.33281    126.32120    125.32288 
   119.84384    118.11739    117.09359    110.69774    107.45297    104.59046 
   103.07771     99.71390     95.76509     94.09910     93.62612     90.73591 
    89.38801     85.16775     80.89467     79.94651     78.22099     72.93195 
    72.49155     68.23798     65.84644     62.87604     59.93646     59.53228 
    59.02114     56.04922     52.62063     52.31941     50.02235     47.22384 
    42.88323     40.54761     37.66378     36.32567     33.87871     28.79322 
    28.57537     27.01394     23.10504     21.02271     20.62019     16.76969 
    13.81909     12.23882      9.98021      8.61719      6.67799      3.91031 
overlap for current and previous eigenvector    109 is        -0.9999997665
overlap for current and previous eigenvector    110 is         0.9999996262
overlap for current and previous eigenvector    111 is        -0.9999996270
overlap for current and previous eigenvector    112 is        -0.9999970497
overlap for current and previous eigenvector    113 is         0.9999971328
overlap for current and previous eigenvector    114 is         0.9999996956
J1,K1,R1,R2,RAT=   7   7   -0.4459051812E-02     2.004282865        0.9955409482    
FOB,PFOB,DIAG,PSTEP=   -0.6207850143E-05   -0.6180289484E-05     737.3460013        0.8382542204E-08
J1,K1,R1,R2,RAT=   8   8   -0.9717606070E-02     2.009696481        0.9902823939    
FOB,PFOB,DIAG,PSTEP=   -0.6143590759E-05   -0.6084463713E-05     674.0820550        0.9026390681E-08
J1,K1,R1,R2,RAT=   9   9   -0.2038879699E-01     2.020345669        0.9796112030    
FOB,PFOB,DIAG,PSTEP=   -0.1287522632E-05   -0.1261795584E-05     627.7402630        0.2010103331E-08
J1,K1,R1,R2,RAT=  10  10    0.1304065820E-01     1.987003796        0.9869593418    
FOB,PFOB,DIAG,PSTEP=    0.2436840962E-05    0.2469038129E-05     603.4958722       -0.4091135275E-08
J1,K1,R1,R2,RAT=  11  11   -0.4999160785E-02     2.005032362        0.9950008392    
FOB,PFOB,DIAG,PSTEP=   -0.1742448198E-05   -0.1733780892E-05     587.6603834        0.2950262021E-08
J1,K1,R1,R2,RAT= 109 109     1.995733481        0.4187068137E-02    0.9957334809    
FOB,PFOB,DIAG,PSTEP=    0.7085382312E-04   -0.7115175219E-04     13.81909268        0.5149005112E-05
J1,K1,R1,R2,RAT= 110 110   -0.5284013173         170.2102336        0.4715986827    
FOB,PFOB,DIAG,PSTEP=    0.1044820089E-01    0.1038353078E-01     12.23882444       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     32.89326408        0.3480698888        0.6519301112    
FOB,PFOB,DIAG,PSTEP=    0.1624040092E-02   -0.1658778213E-02     9.980214481        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     197.6629674       -0.9526997995        0.4730020051E-01
FOB,PFOB,DIAG,PSTEP=   -0.1207058269E-01    0.1195478476E-01     8.617194196       -0.1410518698E-04
J1,K1,R1,R2,RAT= 113 113   -0.7192527392         290.7877429        0.2807472608    
FOB,PFOB,DIAG,PSTEP=    0.2824138499E-01    0.2810202165E-01     6.677994831       -0.2901488989E-04
J1,K1,R1,R2,RAT= 114 114    0.9885042918        -961.4003545        0.1149570821E-01
FOB,PFOB,DIAG,PSTEP=    0.7526485535        0.7511024086         3.910314145        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
    -0.00002      0.00001     -0.00001     -0.00003      0.00000     -0.00002 
    -0.00003     -0.00003     -0.00002     -0.00003      0.00002      0.00001 
     0.00001      0.00001      0.00001     -0.00003      0.00001      0.00007 
     0.00003      0.00003      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001      0.00002     -0.00003      0.00001      0.00002      0.00005 
    -0.00004     -0.00001      0.00004     -0.00001     -0.00001     -0.00006 
     0.00003     -0.00006      0.00001     -0.00006     -0.00002      0.00000 
    -0.00004      0.00005      0.00012      0.00009      0.00003      0.00011 
    -0.00004     -0.00011     -0.00007      0.00004     -0.00008     -0.00001 
     0.00007      0.01045      0.00162     -0.01207      0.02824      0.75265 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4148528047
 Log product of positive Hessian eigenvalues =          519.5711243097
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9103141452
 Unscaled step for mode    7=        0.0000000084
 Unscaled step for mode    8=        0.0000000091
 Unscaled step for mode    9=        0.0000000021
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000088
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000026
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000437
 Unscaled step for mode   20=       -0.0000000143
 Unscaled step for mode   21=       -0.0000000153
 Unscaled step for mode   22=        0.0000000255
 Unscaled step for mode   23=       -0.0000000038
 Unscaled step for mode   24=        0.0000000115
 Unscaled step for mode   25=        0.0000000642
 Unscaled step for mode   26=        0.0000001057
 Unscaled step for mode   27=        0.0000000538
 Unscaled step for mode   28=       -0.0000000421
 Unscaled step for mode   29=       -0.0000000693
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000653
 Unscaled step for mode   32=        0.0000000304
 Unscaled step for mode   33=       -0.0000000500
 Unscaled step for mode   34=       -0.0000000544
 Unscaled step for mode   35=       -0.0000000924
 Unscaled step for mode   36=       -0.0000000816
 Unscaled step for mode   37=        0.0000000789
 Unscaled step for mode   38=       -0.0000000091
 Unscaled step for mode   39=        0.0000000874
 Unscaled step for mode   40=        0.0000000893
 Unscaled step for mode   41=        0.0000001912
 Unscaled step for mode   42=        0.0000000727
 Unscaled step for mode   43=        0.0000000853
 Unscaled step for mode   44=        0.0000001560
 Unscaled step for mode   45=       -0.0000000085
 Unscaled step for mode   46=       -0.0000001479
 Unscaled step for mode   47=        0.0000001432
 Unscaled step for mode   48=       -0.0000000320
 Unscaled step for mode   49=       -0.0000001480
 Unscaled step for mode   50=       -0.0000000441
 Unscaled step for mode   51=        0.0000000979
 Unscaled step for mode   52=        0.0000000319
 Unscaled step for mode   53=       -0.0000000845
 Unscaled step for mode   54=       -0.0000001290
 Unscaled step for mode   55=        0.0000001323
 Unscaled step for mode   56=       -0.0000000400
 Unscaled step for mode   57=        0.0000000871
 Unscaled step for mode   58=        0.0000001734
 Unscaled step for mode   59=       -0.0000000299
 Unscaled step for mode   60=        0.0000001708
 Unscaled step for mode   61=        0.0000002430
 Unscaled step for mode   62=        0.0000001932
 Unscaled step for mode   63=        0.0000001603
 Unscaled step for mode   64=        0.0000002701
 Unscaled step for mode   65=       -0.0000001880
 Unscaled step for mode   66=       -0.0000001152
 Unscaled step for mode   67=       -0.0000000956
 Unscaled step for mode   68=       -0.0000000780
 Unscaled step for mode   69=       -0.0000000620
 Unscaled step for mode   70=        0.0000002738
 Unscaled step for mode   71=       -0.0000000640
 Unscaled step for mode   72=       -0.0000006792
 Unscaled step for mode   73=       -0.0000002909
 Unscaled step for mode   74=       -0.0000002590
 Unscaled step for mode   75=       -0.0000008597
 Unscaled step for mode   76=       -0.0000002783
 Unscaled step for mode   77=        0.0000004614
 Unscaled step for mode   78=        0.0000001157
 Unscaled step for mode   79=        0.0000000860
 Unscaled step for mode   80=       -0.0000002583
 Unscaled step for mode   81=        0.0000003159
 Unscaled step for mode   82=       -0.0000001421
 Unscaled step for mode   83=       -0.0000002011
 Unscaled step for mode   84=       -0.0000007007
 Unscaled step for mode   85=        0.0000005092
 Unscaled step for mode   86=        0.0000002099
 Unscaled step for mode   87=       -0.0000006773
 Unscaled step for mode   88=        0.0000001706
 Unscaled step for mode   89=        0.0000002093
 Unscaled step for mode   90=        0.0000010644
 Unscaled step for mode   91=       -0.0000004744
 Unscaled step for mode   92=        0.0000011092
 Unscaled step for mode   93=       -0.0000001785
 Unscaled step for mode   94=        0.0000010594
 Unscaled step for mode   95=        0.0000003075
 Unscaled step for mode   96=       -0.0000000001
 Unscaled step for mode   97=        0.0000010002
 Unscaled step for mode   98=       -0.0000012899
 Unscaled step for mode   99=       -0.0000032805
 Unscaled step for mode  100=       -0.0000023847
 Unscaled step for mode  101=       -0.0000007648
 Unscaled step for mode  102=       -0.0000036626
 Unscaled step for mode  103=        0.0000013392
 Unscaled step for mode  104=        0.0000042482
 Unscaled step for mode  105=        0.0000028649
 Unscaled step for mode  106=       -0.0000020051
 Unscaled step for mode  107=        0.0000039512
 Unscaled step for mode  108=        0.0000004917
 Unscaled step for mode  109=       -0.0000051272
 Unscaled step for mode  110=       -0.0008536926
 Unscaled step for mode  111=       -0.0001627260
 Unscaled step for mode  112=        0.0014007528
 Unscaled step for mode  113=       -0.0042289461
 Unscaled step for mode  114=        0.1858309122
 Largest modulus ratio of non-zero e/values=           188.5643899    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.111673E-15    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.169136E-14    0.100695E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.516948E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.710695E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.495669E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.209454E-15    0.973999E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.620785E-05    0.737346E+03  0.841918E-08 0.100000E-04    0.995541E+00
   8   -0.614359E-05    0.674082E+03  0.911401E-08 0.100000E-04    0.990282E+00
   9   -0.128752E-05    0.627740E+03  0.205104E-08 0.100000E-04    0.979611E+00
  10    0.243684E-05    0.603496E+03 -0.403788E-08 0.100000E-04    0.986959E+00
  11   -0.174245E-05    0.587660E+03  0.296506E-08 0.100000E-04    0.995001E+00
  12   -0.504353E-05    0.574114E+03  0.878489E-08 0.100000E-04    0.983414E+00
  13   -0.362654E-05    0.567092E+03  0.639498E-08 0.100000E-04    0.989912E+00
  14    0.125097E-05    0.484549E+03 -0.258171E-08 0.100000E-04    0.937910E+00
  15    0.194635E-05    0.463599E+03 -0.419835E-08 0.100000E-04    0.982267E+00
  16    0.707494E-05    0.460907E+03 -0.153501E-07 0.100000E-04    0.999054E+00
  17    0.452158E-05    0.441521E+03 -0.102409E-07 0.100000E-04    0.992573E+00
  18    0.477425E-05    0.429236E+03 -0.111227E-07 0.100000E-04    0.998441E+00
  19   -0.184540E-04    0.422032E+03  0.437264E-07 0.100000E-04    0.999360E+00
  20    0.583973E-05    0.408370E+03 -0.143001E-07 0.100000E-04    0.991952E+00
  21    0.606211E-05    0.397077E+03 -0.152669E-07 0.100000E-04    0.993709E+00
  22   -0.989866E-05    0.388685E+03  0.254670E-07 0.100000E-04    0.997684E+00
  23    0.139299E-05    0.368430E+03 -0.378087E-08 0.100000E-04    0.962323E+00
  24   -0.414197E-05    0.361226E+03  0.114664E-07 0.100000E-04    0.992227E+00
  25   -0.224780E-04    0.350379E+03  0.641534E-07 0.100000E-04    0.997716E+00
  26   -0.354386E-04    0.335299E+03  0.105692E-06 0.100000E-04    0.999853E+00
  27   -0.175720E-04    0.326834E+03  0.537642E-07 0.100000E-04    0.998773E+00
  28    0.135459E-04    0.321491E+03 -0.421345E-07 0.100000E-04    0.995612E+00
  29    0.221751E-04    0.320139E+03 -0.692670E-07 0.100000E-04    0.993503E+00
  30   -0.249420E-04    0.311347E+03  0.801099E-07 0.100000E-04    0.997402E+00
  31   -0.197920E-04    0.303085E+03  0.653017E-07 0.100000E-04    0.992562E+00
  32   -0.880479E-05    0.289187E+03  0.304467E-07 0.100000E-04    0.996146E+00
  33    0.139315E-04    0.278500E+03 -0.500236E-07 0.100000E-04    0.997497E+00
  34    0.147456E-04    0.271135E+03 -0.543848E-07 0.100000E-04    0.997789E+00
  35    0.247170E-04    0.267400E+03 -0.924346E-07 0.100000E-04    0.997188E+00
  36    0.215924E-04    0.264586E+03 -0.816080E-07 0.100000E-04    0.996032E+00
  37   -0.205676E-04    0.260631E+03  0.789147E-07 0.100000E-04    0.998621E+00
  38    0.231611E-05    0.253923E+03 -0.912130E-08 0.100000E-04    0.978166E+00
  39   -0.211451E-04    0.241992E+03  0.873796E-07 0.100000E-04    0.999702E+00
  40   -0.213486E-04    0.239051E+03  0.893056E-07 0.100000E-04    0.992900E+00
  41   -0.447957E-04    0.234335E+03  0.191161E-06 0.100000E-04    0.997567E+00
  42   -0.165906E-04    0.228191E+03  0.727047E-07 0.100000E-04    0.992372E+00
  43   -0.186649E-04    0.218892E+03  0.852696E-07 0.100000E-04    0.993009E+00
  44   -0.334123E-04    0.214231E+03  0.155964E-06 0.100000E-04    0.993914E+00
  45    0.181722E-05    0.212703E+03 -0.854346E-08 0.100000E-04    0.976494E+00
  46    0.306425E-04    0.207169E+03 -0.147911E-06 0.100000E-04    0.996191E+00
  47   -0.291554E-04    0.203558E+03  0.143229E-06 0.100000E-04    0.999845E+00
  48    0.630715E-05    0.197023E+03 -0.320122E-07 0.100000E-04    0.999062E+00
  49    0.288634E-04    0.195055E+03 -0.147976E-06 0.100000E-04    0.994958E+00
  50    0.844870E-05    0.191427E+03 -0.441355E-07 0.100000E-04    0.974539E+00
  51   -0.179828E-04    0.183678E+03  0.979040E-07 0.100000E-04    0.995688E+00
  52   -0.557189E-05    0.174480E+03  0.319342E-07 0.100000E-04    0.988794E+00
  53    0.145496E-04    0.172159E+03 -0.845128E-07 0.100000E-04    0.999026E+00
  54    0.216283E-04    0.167650E+03 -0.129008E-06 0.100000E-04    0.994153E+00
  55   -0.217634E-04    0.164537E+03  0.132271E-06 0.100000E-04    0.997988E+00
  56    0.633475E-05    0.158329E+03 -0.400101E-07 0.100000E-04    0.991243E+00
  57   -0.134407E-04    0.154274E+03  0.871223E-07 0.100000E-04    0.995806E+00
  58   -0.263094E-04    0.151687E+03  0.173445E-06 0.100000E-04    0.998351E+00
  59    0.442792E-05    0.148104E+03 -0.298973E-07 0.100000E-04    0.999071E+00
  60   -0.244948E-04    0.143402E+03  0.170812E-06 0.100000E-04    0.996999E+00
  61   -0.333622E-04    0.137314E+03  0.242963E-06 0.100000E-04    0.998318E+00
  62   -0.262552E-04    0.135927E+03  0.193156E-06 0.100000E-04    0.996455E+00
  63   -0.209283E-04    0.130574E+03  0.160279E-06 0.100000E-04    0.989458E+00
  64   -0.346594E-04    0.128333E+03  0.270074E-06 0.100000E-04    0.996068E+00
  65    0.237450E-04    0.126321E+03 -0.187973E-06 0.100000E-04    0.997847E+00
  66    0.144413E-04    0.125323E+03 -0.115233E-06 0.100000E-04    0.988688E+00
  67    0.114609E-04    0.119844E+03 -0.956322E-07 0.100000E-04    0.986425E+00
  68    0.921771E-05    0.118117E+03 -0.780385E-07 0.100000E-04    0.999169E+00
  69    0.725422E-05    0.117094E+03 -0.619523E-07 0.100000E-04    0.997405E+00
  70   -0.303123E-04    0.110698E+03  0.273830E-06 0.100000E-04    0.993188E+00
  71    0.687912E-05    0.107453E+03 -0.640198E-07 0.100000E-04    0.997882E+00
  72    0.710350E-04    0.104590E+03 -0.679173E-06 0.100000E-04    0.998995E+00
  73    0.299818E-04    0.103078E+03 -0.290866E-06 0.100000E-04    0.999258E+00
  74    0.258254E-04    0.997139E+02 -0.258995E-06 0.100000E-04    0.994182E+00
  75    0.823275E-04    0.957651E+02 -0.859681E-06 0.100000E-04    0.998782E+00
  76    0.261911E-04    0.940991E+02 -0.278335E-06 0.100000E-04    0.985092E+00
  77   -0.431993E-04    0.936261E+02  0.461402E-06 0.100000E-04    0.990573E+00
  78   -0.104957E-04    0.907359E+02  0.115673E-06 0.100000E-04    0.969902E+00
  79   -0.768621E-05    0.893880E+02  0.859871E-07 0.100000E-04    0.987868E+00
  80    0.219946E-04    0.851677E+02 -0.258250E-06 0.100000E-04    0.997290E+00
  81   -0.255533E-04    0.808947E+02  0.315884E-06 0.100000E-04    0.997563E+00
  82    0.113613E-04    0.799465E+02 -0.142112E-06 0.100000E-04    0.975840E+00
  83    0.157278E-04    0.782210E+02 -0.201069E-06 0.100000E-04    0.989818E+00
  84    0.511050E-04    0.729320E+02 -0.700722E-06 0.100000E-04    0.999806E+00
  85   -0.369140E-04    0.724915E+02  0.509218E-06 0.100000E-04    0.988361E+00
  86   -0.143207E-04    0.682380E+02  0.209864E-06 0.100000E-04    0.990117E+00
  87    0.445978E-04    0.658464E+02 -0.677300E-06 0.100000E-04    0.999844E+00
  88   -0.107254E-04    0.628760E+02  0.170580E-06 0.100000E-04    0.997215E+00
  89   -0.125450E-04    0.599365E+02  0.209306E-06 0.100000E-04    0.985532E+00
  90   -0.633646E-04    0.595323E+02  0.106437E-05 0.100000E-04    0.996290E+00
  91    0.280006E-04    0.590211E+02 -0.474417E-06 0.100000E-04    0.984077E+00
  92   -0.621721E-04    0.560492E+02  0.110924E-05 0.100000E-04    0.996519E+00
  93    0.939059E-05    0.526206E+02 -0.178458E-06 0.100000E-04    0.944410E+00
  94   -0.554253E-04    0.523194E+02  0.105936E-05 0.100000E-04    0.999118E+00
  95   -0.153802E-04    0.500223E+02  0.307466E-06 0.100000E-04    0.972176E+00
  96    0.598213E-08    0.472238E+02 -0.126676E-09 0.109000E-04    0.140135E+00
  97   -0.428911E-04    0.428832E+02  0.100018E-05 0.100000E-04    0.991273E+00
  98    0.523006E-04    0.405476E+02 -0.128986E-05 0.100000E-04    0.999046E+00
  99    0.123555E-03    0.376638E+02 -0.328047E-05 0.100000E-04    0.996159E+00
 100    0.866266E-04    0.363257E+02 -0.238472E-05 0.100000E-04    0.999307E+00
 101    0.259113E-04    0.338787E+02 -0.764825E-06 0.100000E-04    0.979672E+00
 102    0.105457E-03    0.287932E+02 -0.366257E-05 0.100000E-04    0.998436E+00
 103   -0.382678E-04    0.285754E+02  0.133919E-05 0.100000E-04    0.993480E+00
 104   -0.114761E-03    0.270139E+02  0.424822E-05 0.100000E-04    0.997521E+00
 105   -0.661931E-04    0.231050E+02  0.286488E-05 0.100000E-04    0.997162E+00
 106    0.421534E-04    0.210227E+02 -0.200514E-05 0.100000E-04    0.991892E+00
 107   -0.814745E-04    0.206202E+02  0.395120E-05 0.100000E-04    0.992192E+00
 108   -0.824560E-05    0.167697E+02  0.491696E-06 0.100000E-04    0.918790E+00
 109    0.708538E-04    0.138191E+02 -0.512724E-05 0.100000E-04    0.995733E+00
 110    0.104482E-01    0.122388E+02 -0.100000E-04 0.100000E-04    0.471599E+00
 111    0.162404E-02    0.998021E+01 -0.100000E-04 0.100000E-04    0.651930E+00
 112   -0.120706E-01    0.861719E+01  0.153747E-04 0.153747E-04    0.473002E-01
 113    0.282414E-01    0.667799E+01 -0.261395E-04 0.261395E-04    0.280747E+00
 114    0.752649E+00    0.391031E+01  0.400000E-03 0.400000E-03    0.114957E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1858309122    

 Beginning of optimization cycle  392.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3390180113
 potential> RMS force:                                               0.0707028722   |gradient|=.7549000988    
 Eigenvalues of the Hessian matrix:
   737.41088    674.08946    627.75377    603.48215    587.65084    574.15643 
   567.09172    484.57599    463.57549    460.90074    441.52373    429.22918 
   422.03432    408.37512    397.07165    388.68154    368.43978    361.21800 
   350.37154    335.28966    326.85021    321.49446    320.13131    311.32895 
   303.06928    289.19720    278.49581    271.14361    267.40765    264.59038 
   260.65102    253.92148    241.98702    239.06465    234.32468    228.18454 
   218.87152    214.23832    212.70983    207.16817    203.55717    197.01426 
   195.05110    191.42477    183.66842    174.47195    172.16279    167.65276 
   164.52829    158.31747    154.27929    151.69255    148.09455    143.40403 
   137.31795    135.92823    130.57264    128.33730    126.32534    125.31738 
   119.84539    118.11807    117.09442    110.69288    107.44712    104.58792 
   103.07686     99.71305     95.76540     94.08392     93.63609     90.73973 
    89.38196     85.17072     80.89422     79.94872     78.21980     72.93512 
    72.49582     68.23701     65.83572     62.86840     59.93682     59.52737 
    59.01835     56.04911     52.61874     52.31947     50.02185     47.21772 
    42.88416     40.55037     37.66741     36.32789     33.86622     28.79297 
    28.57405     27.00627     23.10713     21.01895     20.62099     16.76861 
    13.81965     12.23878      9.98161      8.61382      6.66953      3.90474 
overlap for current and previous eigenvector    109 is        -0.9999997704
overlap for current and previous eigenvector    110 is        -0.9999996307
overlap for current and previous eigenvector    111 is         0.9999996436
overlap for current and previous eigenvector    112 is        -0.9999971027
overlap for current and previous eigenvector    113 is        -0.9999971749
overlap for current and previous eigenvector    114 is        -0.9999997033
J1,K1,R1,R2,RAT=   7   7   -0.6262397886E-02     2.006086422        0.9937376021    
FOB,PFOB,DIAG,PSTEP=   -0.6246729592E-05   -0.6207850143E-05     737.4108845        0.8419181947E-08
J1,K1,R1,R2,RAT=   8   8    0.3978216048E-02     1.995999806        0.9959998062    
FOB,PFOB,DIAG,PSTEP=   -0.6119149959E-05   -0.6143590759E-05     674.0894625        0.9114010250E-08
J1,K1,R1,R2,RAT=   9   9    0.2749257767E-02     1.997207719        0.9972077192    
FOB,PFOB,DIAG,PSTEP=   -0.1283982825E-05   -0.1287522632E-05     627.7537669        0.2051043574E-08
J1,K1,R1,R2,RAT=  10  10   -0.2470354015E-01     2.024749027        0.9752964598    
FOB,PFOB,DIAG,PSTEP=    0.2497038192E-05    0.2436840962E-05     603.4821471       -0.4037875112E-08
J1,K1,R1,R2,RAT=  11  11   -0.1044068232E-01     2.010473179        0.9895593177    
FOB,PFOB,DIAG,PSTEP=   -0.1760640250E-05   -0.1742448198E-05     587.6508350        0.2965059832E-08
J1,K1,R1,R2,RAT= 109 109     1.997964316        0.1955721042E-02    0.9979643161    
FOB,PFOB,DIAG,PSTEP=   -0.7071524727E-04    0.7085382312E-04     13.81964521       -0.5127241330E-05
J1,K1,R1,R2,RAT= 110 110     171.2865987       -0.5473877745        0.4526122255    
FOB,PFOB,DIAG,PSTEP=   -0.1051519449E-01    0.1044820089E-01     12.23878315       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3474726698         32.19316337        0.6525273302    
FOB,PFOB,DIAG,PSTEP=    0.1589356716E-02    0.1624040092E-02     9.981612466       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     183.0530641       -0.7654413486        0.2345586514    
FOB,PFOB,DIAG,PSTEP=    0.1217195351E-01   -0.1207058269E-01     8.613818262        0.1537465380E-04
J1,K1,R1,R2,RAT= 113 113     324.8323147       -0.8488341203        0.1511658797    
FOB,PFOB,DIAG,PSTEP=   -0.2838936939E-01    0.2824138499E-01     6.669529103       -0.2613954044E-04
J1,K1,R1,R2,RAT= 114 114    -964.7503347        0.9887160095        0.1128399053E-01
FOB,PFOB,DIAG,PSTEP=   -0.7541928269        0.7526485535         3.904744384        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001      0.00001      0.00002 
     0.00002     -0.00001      0.00001     -0.00003      0.00000     -0.00002 
    -0.00003      0.00003      0.00002     -0.00003     -0.00002      0.00001 
     0.00001      0.00001     -0.00001     -0.00003     -0.00001     -0.00007 
     0.00003      0.00003      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001      0.00002     -0.00003      0.00001      0.00002      0.00005 
     0.00004      0.00001      0.00004     -0.00001     -0.00001      0.00006 
     0.00003      0.00006      0.00001     -0.00006      0.00002      0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009     -0.00003      0.00011 
     0.00004      0.00012      0.00007     -0.00004     -0.00008     -0.00001 
    -0.00007     -0.01052      0.00159      0.01217     -0.02839     -0.75419 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4146410573
 Log product of positive Hessian eigenvalues =          519.5669039990
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.9047443836
 Unscaled step for mode    7=        0.0000000085
 Unscaled step for mode    8=        0.0000000091
 Unscaled step for mode    9=        0.0000000020
 Unscaled step for mode   10=       -0.0000000041
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000087
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000026
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000439
 Unscaled step for mode   20=       -0.0000000143
 Unscaled step for mode   21=       -0.0000000153
 Unscaled step for mode   22=        0.0000000256
 Unscaled step for mode   23=       -0.0000000036
 Unscaled step for mode   24=        0.0000000116
 Unscaled step for mode   25=        0.0000000643
 Unscaled step for mode   26=        0.0000001059
 Unscaled step for mode   27=        0.0000000538
 Unscaled step for mode   28=       -0.0000000421
 Unscaled step for mode   29=       -0.0000000701
 Unscaled step for mode   30=        0.0000000798
 Unscaled step for mode   31=        0.0000000653
 Unscaled step for mode   32=        0.0000000306
 Unscaled step for mode   33=       -0.0000000504
 Unscaled step for mode   34=       -0.0000000548
 Unscaled step for mode   35=       -0.0000000922
 Unscaled step for mode   36=       -0.0000000816
 Unscaled step for mode   37=        0.0000000791
 Unscaled step for mode   38=       -0.0000000093
 Unscaled step for mode   39=        0.0000000876
 Unscaled step for mode   40=        0.0000000900
 Unscaled step for mode   41=        0.0000001914
 Unscaled step for mode   42=        0.0000000728
 Unscaled step for mode   43=        0.0000000852
 Unscaled step for mode   44=        0.0000001562
 Unscaled step for mode   45=       -0.0000000092
 Unscaled step for mode   46=       -0.0000001482
 Unscaled step for mode   47=        0.0000001428
 Unscaled step for mode   48=       -0.0000000323
 Unscaled step for mode   49=       -0.0000001478
 Unscaled step for mode   50=       -0.0000000454
 Unscaled step for mode   51=        0.0000000978
 Unscaled step for mode   52=       -0.0000000321
 Unscaled step for mode   53=       -0.0000000848
 Unscaled step for mode   54=       -0.0000001291
 Unscaled step for mode   55=       -0.0000001324
 Unscaled step for mode   56=        0.0000000402
 Unscaled step for mode   57=       -0.0000000878
 Unscaled step for mode   58=        0.0000001736
 Unscaled step for mode   59=       -0.0000000305
 Unscaled step for mode   60=        0.0000001709
 Unscaled step for mode   61=        0.0000002450
 Unscaled step for mode   62=       -0.0000001928
 Unscaled step for mode   63=       -0.0000001614
 Unscaled step for mode   64=        0.0000002713
 Unscaled step for mode   65=        0.0000001895
 Unscaled step for mode   66=       -0.0000001150
 Unscaled step for mode   67=       -0.0000000954
 Unscaled step for mode   68=       -0.0000000782
 Unscaled step for mode   69=        0.0000000628
 Unscaled step for mode   70=        0.0000002728
 Unscaled step for mode   71=        0.0000000639
 Unscaled step for mode   72=        0.0000006827
 Unscaled step for mode   73=       -0.0000002912
 Unscaled step for mode   74=       -0.0000002596
 Unscaled step for mode   75=       -0.0000008607
 Unscaled step for mode   76=       -0.0000002838
 Unscaled step for mode   77=        0.0000004583
 Unscaled step for mode   78=        0.0000001156
 Unscaled step for mode   79=        0.0000000865
 Unscaled step for mode   80=       -0.0000002574
 Unscaled step for mode   81=        0.0000003165
 Unscaled step for mode   82=       -0.0000001421
 Unscaled step for mode   83=       -0.0000001990
 Unscaled step for mode   84=       -0.0000007068
 Unscaled step for mode   85=       -0.0000005107
 Unscaled step for mode   86=       -0.0000002130
 Unscaled step for mode   87=       -0.0000006794
 Unscaled step for mode   88=        0.0000001725
 Unscaled step for mode   89=        0.0000001992
 Unscaled step for mode   90=       -0.0000010663
 Unscaled step for mode   91=       -0.0000004890
 Unscaled step for mode   92=       -0.0000011051
 Unscaled step for mode   93=       -0.0000001728
 Unscaled step for mode   94=        0.0000010646
 Unscaled step for mode   95=       -0.0000003115
 Unscaled step for mode   96=       -0.0000000066
 Unscaled step for mode   97=        0.0000010127
 Unscaled step for mode   98=        0.0000012978
 Unscaled step for mode   99=        0.0000032937
 Unscaled step for mode  100=        0.0000023796
 Unscaled step for mode  101=        0.0000007859
 Unscaled step for mode  102=       -0.0000036789
 Unscaled step for mode  103=       -0.0000013449
 Unscaled step for mode  104=       -0.0000042900
 Unscaled step for mode  105=       -0.0000028754
 Unscaled step for mode  106=        0.0000021298
 Unscaled step for mode  107=        0.0000038418
 Unscaled step for mode  108=        0.0000005698
 Unscaled step for mode  109=        0.0000051170
 Unscaled step for mode  110=        0.0008591693
 Unscaled step for mode  111=       -0.0001592284
 Unscaled step for mode  112=       -0.0014130701
 Unscaled step for mode  113=        0.0042565007
 Unscaled step for mode  114=       -0.1864344186
 Largest modulus ratio of non-zero e/values=           188.8499764    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.381205E-15    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.114166E-14    0.100695E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.883625E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.332200E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.283805E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.327348E-15    0.974000E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.624673E-05    0.737411E+03  0.847117E-08 0.100000E-04    0.993738E+00
   8   -0.611915E-05    0.674089E+03  0.907765E-08 0.100000E-04    0.996000E+00
   9   -0.128398E-05    0.627754E+03  0.204536E-08 0.100000E-04    0.997208E+00
  10    0.249704E-05    0.603482E+03 -0.413772E-08 0.100000E-04    0.975296E+00
  11   -0.176064E-05    0.587651E+03  0.299607E-08 0.100000E-04    0.989559E+00
  12   -0.502279E-05    0.574156E+03  0.874812E-08 0.100000E-04    0.995741E+00
  13   -0.359727E-05    0.567092E+03  0.634337E-08 0.100000E-04    0.991929E+00
  14    0.126160E-05    0.484576E+03 -0.260352E-08 0.100000E-04    0.991497E+00
  15    0.193406E-05    0.463575E+03 -0.417204E-08 0.100000E-04    0.993684E+00
  16    0.711758E-05    0.460901E+03 -0.154428E-07 0.100000E-04    0.993974E+00
  17    0.457376E-05    0.441524E+03 -0.103590E-07 0.100000E-04    0.988460E+00
  18    0.477911E-05    0.429229E+03 -0.111342E-07 0.100000E-04    0.998982E+00
  19   -0.185238E-04    0.422034E+03  0.438916E-07 0.100000E-04    0.996217E+00
  20    0.584787E-05    0.408375E+03 -0.143199E-07 0.100000E-04    0.998605E+00
  21    0.607315E-05    0.397072E+03 -0.152949E-07 0.100000E-04    0.998179E+00
  22   -0.994552E-05    0.388682E+03  0.255878E-07 0.100000E-04    0.995266E+00
  23    0.133674E-05    0.368440E+03 -0.362812E-08 0.100000E-04    0.959572E+00
  24   -0.417456E-05    0.361218E+03  0.115569E-07 0.100000E-04    0.992133E+00
  25   -0.225251E-04    0.350372E+03  0.642893E-07 0.100000E-04    0.997904E+00
  26   -0.355092E-04    0.335290E+03  0.105906E-06 0.100000E-04    0.998006E+00
  27   -0.175775E-04    0.326850E+03  0.537784E-07 0.100000E-04    0.999685E+00
  28    0.135203E-04    0.321494E+03 -0.420544E-07 0.100000E-04    0.998090E+00
  29    0.224332E-04    0.320131E+03 -0.700751E-07 0.100000E-04    0.988358E+00
  30   -0.248371E-04    0.311329E+03  0.797775E-07 0.100000E-04    0.995793E+00
  31   -0.197999E-04    0.303069E+03  0.653313E-07 0.100000E-04    0.999601E+00
  32   -0.884428E-05    0.289197E+03  0.305822E-07 0.100000E-04    0.995514E+00
  33    0.140323E-04    0.278496E+03 -0.503860E-07 0.100000E-04    0.992769E+00
  34    0.148605E-04    0.271144E+03 -0.548068E-07 0.100000E-04    0.992207E+00
  35    0.246572E-04    0.267408E+03 -0.922082E-07 0.100000E-04    0.997522E+00
  36    0.216020E-04    0.264590E+03 -0.816431E-07 0.100000E-04    0.999555E+00
  37   -0.206130E-04    0.260651E+03  0.790829E-07 0.100000E-04    0.997793E+00
  38    0.237126E-05    0.253921E+03 -0.933855E-08 0.100000E-04    0.976188E+00
  39   -0.212019E-04    0.241987E+03  0.876161E-07 0.100000E-04    0.997314E+00
  40   -0.215087E-04    0.239065E+03  0.899704E-07 0.100000E-04    0.992500E+00
  41   -0.448411E-04    0.234325E+03  0.191363E-06 0.100000E-04    0.998988E+00
  42   -0.166031E-04    0.228185E+03  0.727618E-07 0.100000E-04    0.999244E+00
  43   -0.186504E-04    0.218872E+03  0.852117E-07 0.100000E-04    0.999225E+00
  44   -0.334628E-04    0.214238E+03  0.156194E-06 0.100000E-04    0.998488E+00
  45    0.195769E-05    0.212710E+03 -0.920356E-08 0.100000E-04    0.922704E+00
  46    0.307118E-04    0.207168E+03 -0.148246E-06 0.100000E-04    0.997739E+00
  47   -0.290583E-04    0.203557E+03  0.142753E-06 0.100000E-04    0.996671E+00
  48    0.637221E-05    0.197014E+03 -0.323439E-07 0.100000E-04    0.989684E+00
  49    0.288260E-04    0.195051E+03 -0.147787E-06 0.100000E-04    0.998701E+00
  50    0.868152E-05    0.191425E+03 -0.453521E-07 0.100000E-04    0.972442E+00
  51   -0.179580E-04    0.183668E+03  0.977741E-07 0.100000E-04    0.998621E+00
  52    0.560116E-05    0.174472E+03 -0.321035E-07 0.100000E-04    0.994747E+00
  53    0.146050E-04    0.172163E+03 -0.848322E-07 0.100000E-04    0.996196E+00
  54    0.216450E-04    0.167653E+03 -0.129106E-06 0.100000E-04    0.999225E+00
  55    0.217795E-04    0.164528E+03 -0.132375E-06 0.100000E-04    0.999263E+00
  56   -0.637055E-05    0.158317E+03  0.402391E-07 0.100000E-04    0.994349E+00
  57    0.135380E-04    0.154279E+03 -0.877503E-07 0.100000E-04    0.992760E+00
  58   -0.263339E-04    0.151693E+03  0.173600E-06 0.100000E-04    0.999069E+00
  59    0.451825E-05    0.148095E+03 -0.305092E-07 0.100000E-04    0.979599E+00
  60   -0.245085E-04    0.143404E+03  0.170906E-06 0.100000E-04    0.999437E+00
  61   -0.336404E-04    0.137318E+03  0.244982E-06 0.100000E-04    0.991661E+00
  62    0.262126E-04    0.135928E+03 -0.192842E-06 0.100000E-04    0.998366E+00
  63    0.210748E-04    0.130573E+03 -0.161403E-06 0.100000E-04    0.993002E+00
  64   -0.348169E-04    0.128337E+03  0.271292E-06 0.100000E-04    0.995457E+00
  65   -0.239362E-04    0.126325E+03  0.189480E-06 0.100000E-04    0.991948E+00
  66    0.144176E-04    0.125317E+03 -0.115048E-06 0.100000E-04    0.998354E+00
  67    0.114299E-04    0.119845E+03 -0.953722E-07 0.100000E-04    0.997268E+00
  68    0.924020E-05    0.118118E+03 -0.782285E-07 0.100000E-04    0.997559E+00
  69   -0.735567E-05    0.117094E+03  0.628183E-07 0.100000E-04    0.986014E+00
  70   -0.301968E-04    0.110693E+03  0.272798E-06 0.100000E-04    0.996189E+00
  71   -0.686753E-05    0.107447E+03  0.639155E-07 0.100000E-04    0.998316E+00
  72   -0.714064E-04    0.104588E+03  0.682740E-06 0.100000E-04    0.994772E+00
  73    0.300166E-04    0.103077E+03 -0.291206E-06 0.100000E-04    0.998839E+00
  74    0.258860E-04    0.997130E+02 -0.259605E-06 0.100000E-04    0.997654E+00
  75    0.824232E-04    0.957654E+02 -0.860678E-06 0.100000E-04    0.998837E+00
  76    0.267041E-04    0.940839E+02 -0.283833E-06 0.100000E-04    0.980406E+00
  77   -0.429151E-04    0.936361E+02  0.458318E-06 0.100000E-04    0.993208E+00
  78   -0.104862E-04    0.907397E+02  0.115563E-06 0.100000E-04    0.999004E+00
  79   -0.772794E-05    0.893820E+02  0.864597E-07 0.100000E-04    0.994571E+00
  80    0.219249E-04    0.851707E+02 -0.257423E-06 0.100000E-04    0.996760E+00
  81   -0.256044E-04    0.808942E+02  0.316517E-06 0.100000E-04    0.998002E+00
  82    0.113582E-04    0.799487E+02 -0.142068E-06 0.100000E-04    0.999667E+00
  83    0.155626E-04    0.782198E+02 -0.198960E-06 0.100000E-04    0.989493E+00
  84    0.515488E-04    0.729351E+02 -0.706776E-06 0.100000E-04    0.991318E+00
  85    0.370258E-04    0.724958E+02 -0.510730E-06 0.100000E-04    0.996972E+00
  86    0.145338E-04    0.682370E+02 -0.212990E-06 0.100000E-04    0.985122E+00
  87    0.447296E-04    0.658357E+02 -0.679413E-06 0.100000E-04    0.997043E+00
  88   -0.108436E-04    0.628684E+02  0.172481E-06 0.100000E-04    0.988978E+00
  89   -0.119369E-04    0.599368E+02  0.199158E-06 0.100000E-04    0.951511E+00
  90    0.634728E-04    0.595274E+02 -0.106628E-05 0.100000E-04    0.998291E+00
  91    0.288629E-04    0.590183E+02 -0.489049E-06 0.100000E-04    0.969203E+00
  92    0.619395E-04    0.560491E+02 -0.110509E-05 0.100000E-04    0.996259E+00
  93    0.909116E-05    0.526187E+02 -0.172774E-06 0.100000E-04    0.968112E+00
  94   -0.556968E-04    0.523195E+02  0.106455E-05 0.100000E-04    0.995102E+00
  95    0.155805E-04    0.500218E+02 -0.311475E-06 0.100000E-04    0.986973E+00
  96    0.309967E-06    0.472177E+02 -0.656462E-08 0.100000E-04    0.498220E+02
  97   -0.434301E-04    0.428842E+02  0.101273E-05 0.100000E-04    0.987432E+00
  98   -0.526276E-04    0.405504E+02  0.129783E-05 0.100000E-04    0.993748E+00
  99   -0.124067E-03    0.376674E+02  0.329374E-05 0.100000E-04    0.995859E+00
 100   -0.864454E-04    0.363279E+02  0.237959E-05 0.100000E-04    0.997787E+00
 101   -0.266138E-04    0.338662E+02  0.785850E-06 0.100000E-04    0.972879E+00
 102    0.105928E-03    0.287930E+02 -0.367894E-05 0.100000E-04    0.995539E+00
 103    0.384292E-04    0.285741E+02 -0.134490E-05 0.100000E-04    0.995783E+00
 104    0.115857E-03    0.270063E+02 -0.429002E-05 0.100000E-04    0.990445E+00
 105    0.664416E-04    0.231071E+02 -0.287537E-05 0.100000E-04    0.996247E+00
 106   -0.447658E-04    0.210189E+02  0.212979E-05 0.100000E-04    0.938014E+00
 107   -0.792217E-04    0.206210E+02  0.384180E-05 0.100000E-04    0.972274E+00
 108   -0.955541E-05    0.167686E+02  0.569839E-06 0.100000E-04    0.841140E+00
 109   -0.707152E-04    0.138196E+02  0.511701E-05 0.100000E-04    0.997964E+00
 110   -0.105152E-01    0.122388E+02  0.100000E-04 0.100000E-04    0.452612E+00
 111    0.158936E-02    0.998161E+01 -0.100000E-04 0.100000E-04    0.652527E+00
 112    0.121720E-01    0.861382E+01 -0.138510E-04 0.138510E-04    0.234559E+00
 113   -0.283894E-01    0.666953E+01  0.284921E-04 0.284921E-04    0.151166E+00
 114   -0.754193E+00    0.390474E+01 -0.400000E-03 0.400000E-03    0.112840E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1864344186    

 Beginning of optimization cycle  393.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3387171175
 potential> RMS force:                                               0.0708478775   |gradient|=.7564483324    
 Eigenvalues of the Hessian matrix:
   737.47585    674.09658    627.76727    603.46860    587.64114    574.19896 
   567.09119    484.60270    463.55217    460.89469    441.52643    429.22287 
   422.03653    408.38006    397.06658    388.67774    368.44969    361.21003 
   350.36399    335.28044    326.86678    321.49760    320.12323    311.31092 
   303.05316    289.20768    278.49206    271.15278    267.41548    264.59455 
   260.67104    253.91999    241.98247    239.07799    234.31430    228.17816 
   218.85076    214.24562    212.71671    207.16760    203.55587    197.00500 
   195.04743    191.42299    183.65900    174.46359    172.16696    167.65547 
   164.51924    158.30585    154.28429    151.69843    148.08468    143.40595 
   137.32208    135.92899    130.57115    128.34182    126.32949    125.31179 
   119.84690    118.11871    117.09517    110.68803    107.44125    104.58532 
   103.07597     99.71217     95.76574     94.06867     93.64600     90.74357 
    89.37587     85.17372     80.89376     79.95099     78.21857     72.93826 
    72.50001     68.23592     65.82502     62.86065     59.93722     59.52243 
    59.01538     56.04892     52.61682     52.31948     50.02135     47.21151 
    42.88514     40.55311     37.67095     36.32992     33.85368     28.79270 
    28.57274     26.99859     23.10926     21.01532     20.62157     16.76751 
    13.82019     12.23874      9.98302      8.61048      6.66102      3.89917 
overlap for current and previous eigenvector    109 is        -0.9999997680
overlap for current and previous eigenvector    110 is         0.9999996291
overlap for current and previous eigenvector    111 is         0.9999996395
overlap for current and previous eigenvector    112 is         0.9999971346
overlap for current and previous eigenvector    113 is         0.9999972062
overlap for current and previous eigenvector    114 is         0.9999996994
J1,K1,R1,R2,RAT=   7   7   -0.4694126464E-02     2.004517931        0.9953058735    
FOB,PFOB,DIAG,PSTEP=   -0.6276055114E-05   -0.6246729592E-05     737.4758544        0.8471165428E-08
J1,K1,R1,R2,RAT=   8   8   -0.9686532014E-02     2.009665403        0.9903134680    
FOB,PFOB,DIAG,PSTEP=   -0.6178423927E-05   -0.6119149959E-05     674.0965841        0.9077652596E-08
J1,K1,R1,R2,RAT=   9   9   -0.2094079212E-01     2.020897759        0.9790592079    
FOB,PFOB,DIAG,PSTEP=   -0.1310871021E-05   -0.1283982825E-05     627.7672744        0.2045360605E-08
J1,K1,R1,R2,RAT=  10  10    0.1415828045E-01     1.985886611        0.9858417196    
FOB,PFOB,DIAG,PSTEP=    0.2461685218E-05    0.2497038192E-05     603.4686017       -0.4137716756E-08
J1,K1,R1,R2,RAT=  11  11   -0.4837504730E-02     2.004870508        0.9951624953    
FOB,PFOB,DIAG,PSTEP=   -0.1769157215E-05   -0.1760640250E-05     587.6411381        0.2996065257E-08
J1,K1,R1,R2,RAT= 109 109     1.996111130        0.3809324567E-02    0.9961111301    
FOB,PFOB,DIAG,PSTEP=    0.7044585923E-04   -0.7071524727E-04     13.82019487        0.5117008882E-05
J1,K1,R1,R2,RAT= 110 110   -0.5320070683         172.3665528        0.4679929317    
FOB,PFOB,DIAG,PSTEP=   -0.1058030547E-01   -0.1051519449E-01     12.23874332        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3527985607         31.48840461        0.6472014393    
FOB,PFOB,DIAG,PSTEP=    0.1554136768E-02    0.1589356716E-02     9.983019222       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9806850880         205.0982254        0.1931491198E-01
FOB,PFOB,DIAG,PSTEP=    0.1228891409E-01    0.1217195351E-01     8.610484468       -0.1385103946E-04
J1,K1,R1,R2,RAT= 113 113   -0.7435416007         299.9153267        0.2564583993    
FOB,PFOB,DIAG,PSTEP=   -0.2853048348E-01   -0.2838936939E-01     6.661018849        0.2849209908E-04
J1,K1,R1,R2,RAT= 114 114    0.9884418350        -968.1086999        0.1155816504E-01
FOB,PFOB,DIAG,PSTEP=   -0.7557344671       -0.7541928269         3.899167764       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00001      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001      0.00001      0.00002 
    -0.00002      0.00001     -0.00001      0.00003     -0.00000      0.00002 
    -0.00003      0.00003      0.00002     -0.00003     -0.00002      0.00001 
     0.00001      0.00001     -0.00001     -0.00003     -0.00001     -0.00007 
     0.00003      0.00003      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001      0.00002     -0.00003      0.00001     -0.00002      0.00005 
    -0.00004      0.00001      0.00004     -0.00001      0.00001     -0.00006 
     0.00003      0.00006      0.00001     -0.00006      0.00002      0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009     -0.00003      0.00011 
     0.00004     -0.00012     -0.00007      0.00004      0.00008      0.00001 
     0.00007     -0.01058      0.00155      0.01229     -0.02853     -0.75573 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4144347767
 Log product of positive Hessian eigenvalues =          519.5626542974
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8991677643
 Unscaled step for mode    7=        0.0000000085
 Unscaled step for mode    8=        0.0000000092
 Unscaled step for mode    9=        0.0000000021
 Unscaled step for mode   10=       -0.0000000041
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000089
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000028
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000439
 Unscaled step for mode   20=       -0.0000000142
 Unscaled step for mode   21=       -0.0000000152
 Unscaled step for mode   22=        0.0000000256
 Unscaled step for mode   23=       -0.0000000038
 Unscaled step for mode   24=        0.0000000117
 Unscaled step for mode   25=        0.0000000644
 Unscaled step for mode   26=        0.0000001059
 Unscaled step for mode   27=        0.0000000539
 Unscaled step for mode   28=       -0.0000000419
 Unscaled step for mode   29=       -0.0000000706
 Unscaled step for mode   30=        0.0000000799
 Unscaled step for mode   31=        0.0000000658
 Unscaled step for mode   32=        0.0000000307
 Unscaled step for mode   33=       -0.0000000503
 Unscaled step for mode   34=       -0.0000000550
 Unscaled step for mode   35=       -0.0000000924
 Unscaled step for mode   36=       -0.0000000819
 Unscaled step for mode   37=        0.0000000792
 Unscaled step for mode   38=       -0.0000000096
 Unscaled step for mode   39=        0.0000000877
 Unscaled step for mode   40=        0.0000000906
 Unscaled step for mode   41=        0.0000001918
 Unscaled step for mode   42=        0.0000000732
 Unscaled step for mode   43=        0.0000000858
 Unscaled step for mode   44=        0.0000001571
 Unscaled step for mode   45=       -0.0000000090
 Unscaled step for mode   46=       -0.0000001488
 Unscaled step for mode   47=        0.0000001428
 Unscaled step for mode   48=       -0.0000000323
 Unscaled step for mode   49=       -0.0000001485
 Unscaled step for mode   50=       -0.0000000443
 Unscaled step for mode   51=        0.0000000982
 Unscaled step for mode   52=       -0.0000000325
 Unscaled step for mode   53=       -0.0000000849
 Unscaled step for mode   54=       -0.0000001298
 Unscaled step for mode   55=        0.0000001326
 Unscaled step for mode   56=       -0.0000000399
 Unscaled step for mode   57=        0.0000000881
 Unscaled step for mode   58=       -0.0000001738
 Unscaled step for mode   59=        0.0000000305
 Unscaled step for mode   60=       -0.0000001714
 Unscaled step for mode   61=        0.0000002446
 Unscaled step for mode   62=       -0.0000001921
 Unscaled step for mode   63=       -0.0000001598
 Unscaled step for mode   64=        0.0000002724
 Unscaled step for mode   65=        0.0000001890
 Unscaled step for mode   66=       -0.0000001138
 Unscaled step for mode   67=       -0.0000000965
 Unscaled step for mode   68=       -0.0000000781
 Unscaled step for mode   69=        0.0000000626
 Unscaled step for mode   70=        0.0000002746
 Unscaled step for mode   71=        0.0000000641
 Unscaled step for mode   72=        0.0000006835
 Unscaled step for mode   73=       -0.0000002913
 Unscaled step for mode   74=       -0.0000002579
 Unscaled step for mode   75=       -0.0000008615
 Unscaled step for mode   76=       -0.0000002878
 Unscaled step for mode   77=        0.0000004538
 Unscaled step for mode   78=        0.0000001189
 Unscaled step for mode   79=        0.0000000854
 Unscaled step for mode   80=       -0.0000002581
 Unscaled step for mode   81=        0.0000003172
 Unscaled step for mode   82=       -0.0000001454
 Unscaled step for mode   83=        0.0000002010
 Unscaled step for mode   84=       -0.0000007067
 Unscaled step for mode   85=        0.0000005047
 Unscaled step for mode   86=       -0.0000002150
 Unscaled step for mode   87=       -0.0000006798
 Unscaled step for mode   88=        0.0000001728
 Unscaled step for mode   89=       -0.0000001969
 Unscaled step for mode   90=        0.0000010626
 Unscaled step for mode   91=       -0.0000004974
 Unscaled step for mode   92=       -0.0000011085
 Unscaled step for mode   93=       -0.0000001627
 Unscaled step for mode   94=        0.0000010632
 Unscaled step for mode   95=       -0.0000003026
 Unscaled step for mode   96=       -0.0000000080
 Unscaled step for mode   97=        0.0000010042
 Unscaled step for mode   98=        0.0000012979
 Unscaled step for mode   99=        0.0000032811
 Unscaled step for mode  100=        0.0000023778
 Unscaled step for mode  101=        0.0000007747
 Unscaled step for mode  102=       -0.0000036732
 Unscaled step for mode  103=       -0.0000013545
 Unscaled step for mode  104=        0.0000042840
 Unscaled step for mode  105=        0.0000028866
 Unscaled step for mode  106=       -0.0000021246
 Unscaled step for mode  107=       -0.0000038630
 Unscaled step for mode  108=       -0.0000005353
 Unscaled step for mode  109=       -0.0000050973
 Unscaled step for mode  110=        0.0008644922
 Unscaled step for mode  111=       -0.0001556780
 Unscaled step for mode  112=       -0.0014272007
 Unscaled step for mode  113=        0.0042831226
 Unscaled step for mode  114=       -0.1870389342
 Largest modulus ratio of non-zero e/values=           189.1367335    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.738559E-15    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.256479E-14    0.100695E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.246506E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.675675E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.300703E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.122325E-15    0.974002E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.627606E-05    0.737476E+03  0.851018E-08 0.100000E-04    0.995306E+00
   8   -0.617842E-05    0.674097E+03  0.916549E-08 0.100000E-04    0.990313E+00
   9   -0.131087E-05    0.627767E+03  0.208815E-08 0.100000E-04    0.979059E+00
  10    0.246169E-05    0.603469E+03 -0.407923E-08 0.100000E-04    0.985842E+00
  11   -0.176916E-05    0.587641E+03  0.301061E-08 0.100000E-04    0.995162E+00
  12   -0.510819E-05    0.574199E+03  0.889620E-08 0.100000E-04    0.982999E+00
  13   -0.363179E-05    0.567091E+03  0.640424E-08 0.100000E-04    0.990405E+00
  14    0.133418E-05    0.484603E+03 -0.275315E-08 0.100000E-04    0.942474E+00
  15    0.196642E-05    0.463552E+03 -0.424206E-08 0.100000E-04    0.983266E+00
  16    0.711169E-05    0.460895E+03 -0.154302E-07 0.100000E-04    0.999173E+00
  17    0.453469E-05    0.441526E+03 -0.102705E-07 0.100000E-04    0.991446E+00
  18    0.478727E-05    0.429223E+03 -0.111533E-07 0.100000E-04    0.998292E+00
  19   -0.185361E-04    0.422037E+03  0.439205E-07 0.100000E-04    0.999337E+00
  20    0.580011E-05    0.408380E+03 -0.142027E-07 0.100000E-04    0.991808E+00
  21    0.603302E-05    0.397067E+03 -0.151940E-07 0.100000E-04    0.993392E+00
  22   -0.996602E-05    0.388678E+03  0.256408E-07 0.100000E-04    0.997939E+00
  23    0.138978E-05    0.368450E+03 -0.377197E-08 0.100000E-04    0.960326E+00
  24   -0.421177E-05    0.361210E+03  0.116602E-07 0.100000E-04    0.991086E+00
  25   -0.225716E-04    0.350364E+03  0.644233E-07 0.100000E-04    0.997936E+00
  26   -0.355130E-04    0.335280E+03  0.105920E-06 0.100000E-04    0.999893E+00
  27   -0.176045E-04    0.326867E+03  0.538583E-07 0.100000E-04    0.998465E+00
  28    0.134681E-04    0.321498E+03 -0.418918E-07 0.100000E-04    0.996122E+00
  29    0.225873E-04    0.320123E+03 -0.705581E-07 0.100000E-04    0.993134E+00
  30   -0.248794E-04    0.311311E+03  0.799181E-07 0.100000E-04    0.998296E+00
  31   -0.199475E-04    0.303053E+03  0.658217E-07 0.100000E-04    0.992547E+00
  32   -0.886839E-05    0.289208E+03  0.306644E-07 0.100000E-04    0.997274E+00
  33    0.140011E-04    0.278492E+03 -0.502747E-07 0.100000E-04    0.997779E+00
  34    0.149003E-04    0.271153E+03 -0.549518E-07 0.100000E-04    0.997321E+00
  35    0.247192E-04    0.267415E+03 -0.924374E-07 0.100000E-04    0.997485E+00
  36    0.216713E-04    0.264595E+03 -0.819039E-07 0.100000E-04    0.996790E+00
  37   -0.206367E-04    0.260671E+03  0.791677E-07 0.100000E-04    0.998850E+00
  38    0.242854E-05    0.253920E+03 -0.956420E-08 0.100000E-04    0.975842E+00
  39   -0.212113E-04    0.241982E+03  0.876565E-07 0.100000E-04    0.999558E+00
  40   -0.216578E-04    0.239078E+03  0.905887E-07 0.100000E-04    0.993072E+00
  41   -0.449499E-04    0.234314E+03  0.191836E-06 0.100000E-04    0.997572E+00
  42   -0.167123E-04    0.228178E+03  0.732424E-07 0.100000E-04    0.993422E+00
  43   -0.187739E-04    0.218851E+03  0.857838E-07 0.100000E-04    0.993380E+00
  44   -0.336624E-04    0.214246E+03  0.157121E-06 0.100000E-04    0.994035E+00
  45    0.192112E-05    0.212717E+03 -0.903134E-08 0.100000E-04    0.981256E+00
  46    0.308290E-04    0.207168E+03 -0.148812E-06 0.100000E-04    0.996183E+00
  47   -0.290593E-04    0.203556E+03  0.142758E-06 0.100000E-04    0.999967E+00
  48    0.636987E-05    0.197005E+03 -0.323335E-07 0.100000E-04    0.999632E+00
  49    0.289704E-04    0.195047E+03 -0.148530E-06 0.100000E-04    0.994988E+00
  50    0.847054E-05    0.191423E+03 -0.442504E-07 0.100000E-04    0.975697E+00
  51   -0.180351E-04    0.183659E+03  0.981987E-07 0.100000E-04    0.995708E+00
  52    0.566671E-05    0.174464E+03 -0.324808E-07 0.100000E-04    0.988296E+00
  53    0.146205E-04    0.172167E+03 -0.849203E-07 0.100000E-04    0.998937E+00
  54    0.217657E-04    0.167655E+03 -0.129824E-06 0.100000E-04    0.994427E+00
  55   -0.218076E-04    0.164519E+03  0.132554E-06 0.100000E-04    0.998707E+00
  56    0.631479E-05    0.158306E+03 -0.398898E-07 0.100000E-04    0.991247E+00
  57   -0.135851E-04    0.154284E+03  0.880524E-07 0.100000E-04    0.996525E+00
  58    0.263672E-04    0.151698E+03 -0.173813E-06 0.100000E-04    0.998735E+00
  59   -0.451492E-05    0.148085E+03  0.304888E-07 0.100000E-04    0.999263E+00
  60    0.245739E-04    0.143406E+03 -0.171359E-06 0.100000E-04    0.997336E+00
  61   -0.335828E-04    0.137322E+03  0.244555E-06 0.100000E-04    0.998227E+00
  62    0.261173E-04    0.135929E+03 -0.192139E-06 0.100000E-04    0.996352E+00
  63    0.208650E-04    0.130571E+03 -0.159798E-06 0.100000E-04    0.990049E+00
  64   -0.349552E-04    0.128342E+03  0.272361E-06 0.100000E-04    0.996025E+00
  65   -0.238784E-04    0.126329E+03  0.189017E-06 0.100000E-04    0.997519E+00
  66    0.142557E-04    0.125312E+03 -0.113762E-06 0.100000E-04    0.988775E+00
  67    0.115711E-04    0.119847E+03 -0.965488E-07 0.100000E-04    0.987649E+00
  68    0.922353E-05    0.118119E+03 -0.780869E-07 0.100000E-04    0.998185E+00
  69   -0.732473E-05    0.117095E+03  0.625536E-07 0.100000E-04    0.995780E+00
  70   -0.303968E-04    0.110688E+03  0.274617E-06 0.100000E-04    0.993376E+00
  71   -0.688611E-05    0.107441E+03  0.640919E-07 0.100000E-04    0.997295E+00
  72   -0.714867E-04    0.104585E+03  0.683525E-06 0.100000E-04    0.998875E+00
  73    0.300255E-04    0.103076E+03 -0.291295E-06 0.100000E-04    0.999702E+00
  74    0.257183E-04    0.997122E+02 -0.257926E-06 0.100000E-04    0.993523E+00
  75    0.825044E-04    0.957657E+02 -0.861524E-06 0.100000E-04    0.999014E+00
  76    0.270699E-04    0.940687E+02 -0.287768E-06 0.100000E-04    0.986301E+00
  77   -0.424939E-04    0.936460E+02  0.453771E-06 0.100000E-04    0.989975E+00
  78   -0.107938E-04    0.907436E+02  0.118949E-06 0.100000E-04    0.970659E+00
  79   -0.762901E-05    0.893759E+02  0.853587E-07 0.100000E-04    0.987198E+00
  80    0.219795E-04    0.851737E+02 -0.258055E-06 0.100000E-04    0.997507E+00
  81   -0.256613E-04    0.808938E+02  0.317222E-06 0.100000E-04    0.997779E+00
  82    0.116262E-04    0.799510E+02 -0.145416E-06 0.100000E-04    0.976408E+00
  83   -0.157205E-04    0.782186E+02  0.200982E-06 0.100000E-04    0.989849E+00
  84    0.515481E-04    0.729383E+02 -0.706736E-06 0.100000E-04    0.999901E+00
  85   -0.365899E-04    0.725000E+02  0.504688E-06 0.100000E-04    0.988113E+00
  86    0.146733E-04    0.682359E+02 -0.215038E-06 0.100000E-04    0.990399E+00
  87    0.447485E-04    0.658250E+02 -0.679810E-06 0.100000E-04    0.999579E+00
  88   -0.108602E-04    0.628607E+02  0.172766E-06 0.100000E-04    0.998471E+00
  89    0.118042E-04    0.599372E+02 -0.196942E-06 0.100000E-04    0.988867E+00
  90   -0.632510E-04    0.595224E+02  0.106264E-05 0.100000E-04    0.996505E+00
  91    0.293552E-04    0.590154E+02 -0.497415E-06 0.100000E-04    0.982944E+00
  92    0.621282E-04    0.560489E+02 -0.110846E-05 0.100000E-04    0.996954E+00
  93    0.856213E-05    0.526168E+02 -0.162726E-06 0.100000E-04    0.941806E+00
  94   -0.556245E-04    0.523195E+02  0.106317E-05 0.100000E-04    0.998702E+00
  95    0.151379E-04    0.500214E+02 -0.302629E-06 0.100000E-04    0.971589E+00
  96    0.377965E-06    0.472115E+02 -0.800578E-08 0.100000E-04    0.780598E+00
  97   -0.430639E-04    0.428851E+02  0.100417E-05 0.100000E-04    0.991521E+00
  98   -0.526357E-04    0.405531E+02  0.129794E-05 0.100000E-04    0.999846E+00
  99   -0.123603E-03    0.376710E+02  0.328113E-05 0.100000E-04    0.996078E+00
 100   -0.863863E-04    0.363299E+02  0.237783E-05 0.100000E-04    0.999205E+00
 101   -0.262252E-04    0.338537E+02  0.774664E-06 0.100000E-04    0.985395E+00
 102    0.105763E-03    0.287927E+02 -0.367324E-05 0.100000E-04    0.998443E+00
 103    0.387015E-04    0.285727E+02 -0.135449E-05 0.100000E-04    0.992913E+00
 104   -0.115663E-03    0.269986E+02  0.428402E-05 0.100000E-04    0.998317E+00
 105   -0.667071E-04    0.231093E+02  0.288660E-05 0.100000E-04    0.996004E+00
 106    0.446501E-04    0.210153E+02 -0.212465E-05 0.100000E-04    0.997414E+00
 107    0.796611E-04    0.206216E+02 -0.386300E-05 0.100000E-04    0.994455E+00
 108    0.897482E-05    0.167675E+02 -0.535251E-06 0.100000E-04    0.939235E+00
 109    0.704459E-04    0.138202E+02 -0.509731E-05 0.100000E-04    0.996111E+00
 110   -0.105803E-01    0.122387E+02  0.100000E-04 0.100000E-04    0.467993E+00
 111    0.155414E-02    0.998302E+01 -0.100000E-04 0.100000E-04    0.647201E+00
 112    0.122889E-01    0.861048E+01 -0.150976E-04 0.150976E-04    0.193149E-01
 113   -0.285305E-01    0.666102E+01  0.256686E-04 0.256686E-04    0.256458E+00
 114   -0.755734E+00    0.389917E+01 -0.400000E-03 0.400000E-03    0.115582E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1870389342    

 Beginning of optimization cycle  394.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3384155485
 potential> RMS force:                                               0.0709927203   |gradient|=.7579948297    
 Eigenvalues of the Hessian matrix:
   737.54075    674.10399    627.78075    603.45475    587.63165    574.24121 
   567.09081    484.62954    463.52890    460.88863    441.52919    429.21632 
   422.03863    408.38499    397.06154    388.67386    368.45962    361.20206 
   350.35626    335.27123    326.88331    321.50087    320.11483    311.29300 
   303.03688    289.21815    278.48825    271.16195    267.42318    264.59859 
   260.69085    253.91838    241.97778    239.09120    234.30388    228.17162 
   218.83004    214.25282    212.72355    207.16705    203.55455    196.99571 
   195.04366    191.42121    183.64951    174.45528    172.17107    167.65813 
   164.51021    158.29427    154.28923    151.70434    148.07489    143.40793 
   137.32618    135.92971    130.56975    128.34627    126.33366    125.30626 
   119.84843    118.11938    117.09598    110.68320    107.43548    104.58280 
   103.07507     99.71132     95.76621     94.05335     93.65584     90.74735 
    89.36981     85.17667     80.89330     79.95318     78.21737     72.94148 
    72.50428     68.23495     65.81443     62.85286     59.93765     59.51765 
    59.01237     56.04879     52.61499     52.31952     50.02086     47.20536 
    42.88611     40.55588     37.67454     36.33212     33.84119     28.79245 
    28.57143     26.99093     23.11135     21.01194     20.62194     16.76640 
    13.82075     12.23871      9.98441      8.60714      6.65251      3.89358 
overlap for current and previous eigenvector    109 is        -0.9999997717
overlap for current and previous eigenvector    110 is         0.9999996336
overlap for current and previous eigenvector    111 is        -0.9999996554
overlap for current and previous eigenvector    112 is        -0.9999971855
overlap for current and previous eigenvector    113 is         0.9999972471
overlap for current and previous eigenvector    114 is         0.9999997070
J1,K1,R1,R2,RAT=   7   7   -0.6229868593E-02     2.006053894        0.9937701314    
FOB,PFOB,DIAG,PSTEP=   -0.6315157553E-05   -0.6276055114E-05     737.5407486        0.8510183861E-08
J1,K1,R1,R2,RAT=   8   8    0.3852457163E-02     1.996125580        0.9961255797    
FOB,PFOB,DIAG,PSTEP=   -0.6154621552E-05   -0.6178423927E-05     674.1039868        0.9165487667E-08
J1,K1,R1,R2,RAT=   9   9    0.2888848017E-02     1.997068231        0.9970682314    
FOB,PFOB,DIAG,PSTEP=   -0.1307084032E-05   -0.1310871021E-05     627.7807468        0.2088148067E-08
J1,K1,R1,R2,RAT=  10  10   -0.2416181281E-01     2.024207706        0.9758381872    
FOB,PFOB,DIAG,PSTEP=    0.2521162631E-05    0.2461685218E-05     603.4547544       -0.4079226676E-08
J1,K1,R1,R2,RAT=  11  11   -0.1053955871E-01     2.010571867        0.9894604413    
FOB,PFOB,DIAG,PSTEP=   -0.1787803050E-05   -0.1769157215E-05     587.6316453        0.3010608177E-08
J1,K1,R1,R2,RAT= 109 109     1.997943835        0.1976124370E-02    0.9979438353    
FOB,PFOB,DIAG,PSTEP=   -0.7030664388E-04    0.7044585923E-04     13.82074798       -0.5097313017E-05
J1,K1,R1,R2,RAT= 110 110   -0.5507224677         173.4497899        0.4492775323    
FOB,PFOB,DIAG,PSTEP=   -0.1064770679E-01   -0.1058030547E-01     12.23870739        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     30.77885385        0.3524022489        0.6475977511    
FOB,PFOB,DIAG,PSTEP=   -0.1518951468E-02    0.1554136768E-02     9.984414142       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     189.9278333       -0.7911822003        0.2088177997    
FOB,PFOB,DIAG,PSTEP=   -0.1239172622E-01    0.1228891409E-01     8.607141533       -0.1509763301E-04
J1,K1,R1,R2,RAT= 113 113   -0.8737308538         335.0321427        0.1262691462    
FOB,PFOB,DIAG,PSTEP=   -0.2867968196E-01   -0.2853048348E-01     6.652505796        0.2566855773E-04
J1,K1,R1,R2,RAT= 114 114    0.9886587107        -971.4756941        0.1134128932E-01
FOB,PFOB,DIAG,PSTEP=   -0.7572742372       -0.7557344671         3.893583528       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00004     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001     -0.00001     -0.00002 
    -0.00002     -0.00001     -0.00001      0.00003     -0.00000      0.00002 
     0.00003     -0.00003      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001     -0.00001      0.00001     -0.00003     -0.00001     -0.00007 
     0.00003      0.00003      0.00008     -0.00003     -0.00004     -0.00001 
    -0.00001      0.00002     -0.00003      0.00001     -0.00002      0.00005 
    -0.00004      0.00001      0.00004     -0.00001      0.00001     -0.00006 
     0.00003      0.00006     -0.00001      0.00006     -0.00002      0.00000 
     0.00004      0.00005     -0.00012     -0.00009     -0.00003      0.00011 
     0.00004     -0.00012     -0.00007      0.00005      0.00008      0.00001 
    -0.00007     -0.01065     -0.00152     -0.01239     -0.02868     -0.75727 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4142216071
 Log product of positive Hessian eigenvalues =          519.5584115135
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8935835282
 Unscaled step for mode    7=        0.0000000086
 Unscaled step for mode    8=        0.0000000091
 Unscaled step for mode    9=        0.0000000021
 Unscaled step for mode   10=       -0.0000000042
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000089
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000028
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000155
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000441
 Unscaled step for mode   20=       -0.0000000142
 Unscaled step for mode   21=       -0.0000000152
 Unscaled step for mode   22=        0.0000000258
 Unscaled step for mode   23=       -0.0000000036
 Unscaled step for mode   24=        0.0000000118
 Unscaled step for mode   25=        0.0000000646
 Unscaled step for mode   26=        0.0000001061
 Unscaled step for mode   27=        0.0000000539
 Unscaled step for mode   28=       -0.0000000418
 Unscaled step for mode   29=       -0.0000000714
 Unscaled step for mode   30=        0.0000000796
 Unscaled step for mode   31=        0.0000000659
 Unscaled step for mode   32=        0.0000000308
 Unscaled step for mode   33=       -0.0000000506
 Unscaled step for mode   34=       -0.0000000554
 Unscaled step for mode   35=       -0.0000000922
 Unscaled step for mode   36=       -0.0000000819
 Unscaled step for mode   37=        0.0000000793
 Unscaled step for mode   38=       -0.0000000098
 Unscaled step for mode   39=        0.0000000879
 Unscaled step for mode   40=        0.0000000912
 Unscaled step for mode   41=        0.0000001920
 Unscaled step for mode   42=        0.0000000733
 Unscaled step for mode   43=        0.0000000857
 Unscaled step for mode   44=        0.0000001574
 Unscaled step for mode   45=       -0.0000000097
 Unscaled step for mode   46=       -0.0000001491
 Unscaled step for mode   47=        0.0000001423
 Unscaled step for mode   48=       -0.0000000327
 Unscaled step for mode   49=       -0.0000001483
 Unscaled step for mode   50=       -0.0000000455
 Unscaled step for mode   51=        0.0000000981
 Unscaled step for mode   52=        0.0000000327
 Unscaled step for mode   53=        0.0000000852
 Unscaled step for mode   54=        0.0000001299
 Unscaled step for mode   55=        0.0000001327
 Unscaled step for mode   56=        0.0000000401
 Unscaled step for mode   57=        0.0000000887
 Unscaled step for mode   58=       -0.0000001740
 Unscaled step for mode   59=        0.0000000311
 Unscaled step for mode   60=       -0.0000001715
 Unscaled step for mode   61=       -0.0000002466
 Unscaled step for mode   62=        0.0000001918
 Unscaled step for mode   63=       -0.0000001609
 Unscaled step for mode   64=        0.0000002736
 Unscaled step for mode   65=        0.0000001905
 Unscaled step for mode   66=       -0.0000001136
 Unscaled step for mode   67=        0.0000000963
 Unscaled step for mode   68=        0.0000000783
 Unscaled step for mode   69=       -0.0000000634
 Unscaled step for mode   70=        0.0000002736
 Unscaled step for mode   71=        0.0000000640
 Unscaled step for mode   72=        0.0000006871
 Unscaled step for mode   73=       -0.0000002916
 Unscaled step for mode   74=       -0.0000002585
 Unscaled step for mode   75=       -0.0000008625
 Unscaled step for mode   76=        0.0000002932
 Unscaled step for mode   77=        0.0000004506
 Unscaled step for mode   78=        0.0000001189
 Unscaled step for mode   79=        0.0000000858
 Unscaled step for mode   80=       -0.0000002572
 Unscaled step for mode   81=        0.0000003178
 Unscaled step for mode   82=       -0.0000001454
 Unscaled step for mode   83=        0.0000001989
 Unscaled step for mode   84=       -0.0000007128
 Unscaled step for mode   85=        0.0000005060
 Unscaled step for mode   86=       -0.0000002182
 Unscaled step for mode   87=       -0.0000006820
 Unscaled step for mode   88=        0.0000001747
 Unscaled step for mode   89=       -0.0000001874
 Unscaled step for mode   90=        0.0000010640
 Unscaled step for mode   91=       -0.0000005123
 Unscaled step for mode   92=       -0.0000011043
 Unscaled step for mode   93=        0.0000001569
 Unscaled step for mode   94=       -0.0000010682
 Unscaled step for mode   95=        0.0000003065
 Unscaled step for mode   96=       -0.0000000148
 Unscaled step for mode   97=       -0.0000010166
 Unscaled step for mode   98=       -0.0000013058
 Unscaled step for mode   99=        0.0000032941
 Unscaled step for mode  100=        0.0000023728
 Unscaled step for mode  101=        0.0000007959
 Unscaled step for mode  102=       -0.0000036895
 Unscaled step for mode  103=       -0.0000013602
 Unscaled step for mode  104=        0.0000043258
 Unscaled step for mode  105=        0.0000028976
 Unscaled step for mode  106=       -0.0000022485
 Unscaled step for mode  107=       -0.0000037484
 Unscaled step for mode  108=       -0.0000006136
 Unscaled step for mode  109=        0.0000050870
 Unscaled step for mode  110=        0.0008700019
 Unscaled step for mode  111=        0.0001521323
 Unscaled step for mode  112=        0.0014396999
 Unscaled step for mode  113=        0.0043110295
 Unscaled step for mode  114=       -0.1876446747
 Largest modulus ratio of non-zero e/values=           189.4246632    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.140946E-16    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.135102E-14    0.100695E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.372121E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.850015E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.707984E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.106984E-15    0.974004E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.631516E-05    0.737541E+03  0.856245E-08 0.100000E-04    0.993770E+00
   8   -0.615462E-05    0.674104E+03  0.913008E-08 0.100000E-04    0.996126E+00
   9   -0.130708E-05    0.627781E+03  0.208207E-08 0.100000E-04    0.997068E+00
  10    0.252116E-05    0.603455E+03 -0.417788E-08 0.100000E-04    0.975838E+00
  11   -0.178780E-05    0.587632E+03  0.304239E-08 0.100000E-04    0.989460E+00
  12   -0.508777E-05    0.574241E+03  0.885998E-08 0.100000E-04    0.995855E+00
  13   -0.360347E-05    0.567091E+03  0.635432E-08 0.100000E-04    0.992204E+00
  14    0.134536E-05    0.484630E+03 -0.277605E-08 0.100000E-04    0.991626E+00
  15    0.195546E-05    0.463529E+03 -0.421863E-08 0.100000E-04    0.994427E+00
  16    0.715429E-05    0.460889E+03 -0.155228E-07 0.100000E-04    0.994010E+00
  17    0.458668E-05    0.441529E+03 -0.103882E-07 0.100000E-04    0.988535E+00
  18    0.479256E-05    0.429216E+03 -0.111658E-07 0.100000E-04    0.998895E+00
  19   -0.186056E-04    0.422039E+03  0.440851E-07 0.100000E-04    0.996247E+00
  20    0.580809E-05    0.408385E+03 -0.142221E-07 0.100000E-04    0.998625E+00
  21    0.604334E-05    0.397062E+03 -0.152202E-07 0.100000E-04    0.998290E+00
  22   -0.100119E-04    0.388674E+03  0.257591E-07 0.100000E-04    0.995397E+00
  23    0.133361E-05    0.368460E+03 -0.361941E-08 0.100000E-04    0.959528E+00
  24   -0.424415E-05    0.361202E+03  0.117501E-07 0.100000E-04    0.992311E+00
  25   -0.226185E-04    0.350356E+03  0.645586E-07 0.100000E-04    0.997922E+00
  26   -0.355836E-04    0.335271E+03  0.106134E-06 0.100000E-04    0.998013E+00
  27   -0.176109E-04    0.326883E+03  0.538753E-07 0.100000E-04    0.999634E+00
  28    0.134426E-04    0.321501E+03 -0.418120E-07 0.100000E-04    0.998085E+00
  29    0.228437E-04    0.320115E+03 -0.713611E-07 0.100000E-04    0.988645E+00
  30   -0.247727E-04    0.311293E+03  0.795799E-07 0.100000E-04    0.995711E+00
  31   -0.199552E-04    0.303037E+03  0.658507E-07 0.100000E-04    0.999613E+00
  32   -0.890648E-05    0.289218E+03  0.307950E-07 0.100000E-04    0.995705E+00
  33    0.141010E-04    0.278488E+03 -0.506340E-07 0.100000E-04    0.992867E+00
  34    0.150154E-04    0.271162E+03 -0.553745E-07 0.100000E-04    0.992274E+00
  35    0.246602E-04    0.267423E+03 -0.922142E-07 0.100000E-04    0.997556E+00
  36    0.216799E-04    0.264599E+03 -0.819351E-07 0.100000E-04    0.999605E+00
  37   -0.206813E-04    0.260691E+03  0.793326E-07 0.100000E-04    0.997842E+00
  38    0.248368E-05    0.253918E+03 -0.978141E-08 0.100000E-04    0.977296E+00
  39   -0.212676E-04    0.241978E+03  0.878905E-07 0.100000E-04    0.997349E+00
  40   -0.218167E-04    0.239091E+03  0.912486E-07 0.100000E-04    0.992660E+00
  41   -0.449949E-04    0.234304E+03  0.192036E-06 0.100000E-04    0.998999E+00
  42   -0.167237E-04    0.228172E+03  0.732943E-07 0.100000E-04    0.999320E+00
  43   -0.187584E-04    0.218830E+03  0.857215E-07 0.100000E-04    0.999179E+00
  44   -0.337139E-04    0.214253E+03  0.157356E-06 0.100000E-04    0.998470E+00
  45    0.206083E-05    0.212724E+03 -0.968782E-08 0.100000E-04    0.927279E+00
  46    0.308985E-04    0.207167E+03 -0.149148E-06 0.100000E-04    0.997745E+00
  47   -0.289622E-04    0.203555E+03  0.142282E-06 0.100000E-04    0.996661E+00
  48    0.643547E-05    0.196996E+03 -0.326681E-07 0.100000E-04    0.989701E+00
  49    0.289342E-04    0.195044E+03 -0.148347E-06 0.100000E-04    0.998749E+00
  50    0.870152E-05    0.191421E+03 -0.454574E-07 0.100000E-04    0.972731E+00
  51   -0.180114E-04    0.183650E+03  0.980748E-07 0.100000E-04    0.998687E+00
  52   -0.569782E-05    0.174455E+03  0.326606E-07 0.100000E-04    0.994511E+00
  53   -0.146751E-04    0.172171E+03  0.852356E-07 0.100000E-04    0.996263E+00
  54   -0.217839E-04    0.167658E+03  0.129930E-06 0.100000E-04    0.999164E+00
  55   -0.218228E-04    0.164510E+03  0.132653E-06 0.100000E-04    0.999302E+00
  56   -0.634912E-05    0.158294E+03  0.401096E-07 0.100000E-04    0.994562E+00
  57   -0.136827E-04    0.154289E+03  0.886822E-07 0.100000E-04    0.992814E+00
  58    0.263901E-04    0.151704E+03 -0.173958E-06 0.100000E-04    0.999130E+00
  59   -0.460400E-05    0.148075E+03  0.310924E-07 0.100000E-04    0.980269E+00
  60    0.245880E-04    0.143408E+03 -0.171455E-06 0.100000E-04    0.999424E+00
  61    0.338582E-04    0.137326E+03 -0.246553E-06 0.100000E-04    0.991800E+00
  62   -0.260735E-04    0.135930E+03  0.191816E-06 0.100000E-04    0.998312E+00
  63    0.210101E-04    0.130570E+03 -0.160911E-06 0.100000E-04    0.993050E+00
  64   -0.351135E-04    0.128346E+03  0.273584E-06 0.100000E-04    0.995473E+00
  65   -0.240664E-04    0.126334E+03  0.190499E-06 0.100000E-04    0.992126E+00
  66    0.142316E-04    0.125306E+03 -0.113575E-06 0.100000E-04    0.998308E+00
  67   -0.115405E-04    0.119848E+03  0.962926E-07 0.100000E-04    0.997333E+00
  68   -0.924520E-05    0.118119E+03  0.782700E-07 0.100000E-04    0.997651E+00
  69    0.742425E-05    0.117096E+03 -0.634031E-07 0.100000E-04    0.986413E+00
  70   -0.302821E-04    0.110683E+03  0.273593E-06 0.100000E-04    0.996226E+00
  71   -0.687461E-05    0.107435E+03  0.639883E-07 0.100000E-04    0.998330E+00
  72   -0.718561E-04    0.104583E+03  0.687074E-06 0.100000E-04    0.994833E+00
  73    0.300596E-04    0.103075E+03 -0.291629E-06 0.100000E-04    0.998863E+00
  74    0.257750E-04    0.997113E+02 -0.258497E-06 0.100000E-04    0.997795E+00
  75    0.825983E-04    0.957662E+02 -0.862500E-06 0.100000E-04    0.998862E+00
  76   -0.275786E-04    0.940534E+02  0.293223E-06 0.100000E-04    0.981206E+00
  77   -0.422000E-04    0.936558E+02  0.450586E-06 0.100000E-04    0.992876E+00
  78   -0.107871E-04    0.907474E+02  0.118870E-06 0.100000E-04    0.999292E+00
  79   -0.766861E-05    0.893698E+02  0.858076E-07 0.100000E-04    0.994809E+00
  80    0.219095E-04    0.851767E+02 -0.257224E-06 0.100000E-04    0.996743E+00
  81   -0.257111E-04    0.808933E+02  0.317840E-06 0.100000E-04    0.998058E+00
  82    0.116238E-04    0.799532E+02 -0.145383E-06 0.100000E-04    0.999745E+00
  83   -0.155572E-04    0.782174E+02  0.198897E-06 0.100000E-04    0.989611E+00
  84    0.519909E-04    0.729415E+02 -0.712776E-06 0.100000E-04    0.991409E+00
  85   -0.366907E-04    0.725043E+02  0.506049E-06 0.100000E-04    0.997245E+00
  86    0.148856E-04    0.682349E+02 -0.218153E-06 0.100000E-04    0.985531E+00
  87    0.448853E-04    0.658144E+02 -0.681998E-06 0.100000E-04    0.996941E+00
  88   -0.109779E-04    0.628529E+02  0.174660E-06 0.100000E-04    0.989161E+00
  89    0.112318E-04    0.599376E+02 -0.187391E-06 0.100000E-04    0.951498E+00
  90   -0.633244E-04    0.595176E+02  0.106396E-05 0.100000E-04    0.998839E+00
  91    0.302342E-04    0.590124E+02 -0.512336E-06 0.100000E-04    0.970054E+00
  92    0.618950E-04    0.560488E+02 -0.110431E-05 0.100000E-04    0.996246E+00
  93   -0.825285E-05    0.526150E+02  0.156854E-06 0.100000E-04    0.963877E+00
  94    0.558863E-04    0.523195E+02 -0.106817E-05 0.100000E-04    0.995294E+00
  95   -0.153336E-04    0.500209E+02  0.306544E-06 0.100000E-04    0.987072E+00
  96    0.698853E-06    0.472054E+02 -0.148045E-07 0.109000E-04    0.150899E+00
  97    0.435981E-04    0.428861E+02 -0.101660E-05 0.100000E-04    0.987594E+00
  98    0.529580E-04    0.405559E+02 -0.130580E-05 0.100000E-04    0.993877E+00
  99   -0.124104E-03    0.376745E+02  0.329410E-05 0.100000E-04    0.995954E+00
 100   -0.862105E-04    0.363321E+02  0.237285E-05 0.100000E-04    0.997844E+00
 101   -0.269339E-04    0.338412E+02  0.795891E-06 0.100000E-04    0.972968E+00
 102    0.106230E-03    0.287924E+02 -0.368950E-05 0.100000E-04    0.995584E+00
 103    0.388627E-04    0.285714E+02 -0.136019E-05 0.100000E-04    0.995836E+00
 104   -0.116757E-03    0.269909E+02  0.432577E-05 0.100000E-04    0.990539E+00
 105   -0.669685E-04    0.231113E+02  0.289764E-05 0.100000E-04    0.996083E+00
 106    0.472456E-04    0.210119E+02 -0.224851E-05 0.100000E-04    0.941861E+00
 107    0.773002E-04    0.206219E+02 -0.374844E-05 0.100000E-04    0.970328E+00
 108    0.102873E-04    0.167664E+02 -0.613568E-06 0.100000E-04    0.853747E+00
 109   -0.703066E-04    0.138207E+02  0.508704E-05 0.100000E-04    0.997944E+00
 110   -0.106477E-01    0.122387E+02  0.100000E-04 0.100000E-04    0.449278E+00
 111   -0.151895E-02    0.998441E+01  0.100000E-04 0.100000E-04    0.647598E+00
 112   -0.123917E-01    0.860714E+01  0.136015E-04 0.136015E-04    0.208818E+00
 113   -0.286797E-01    0.665251E+01  0.279787E-04 0.279787E-04    0.126269E+00
 114   -0.757274E+00    0.389358E+01 -0.400000E-03 0.400000E-03    0.113413E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1876446747    

 Beginning of optimization cycle  395.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3381134172
 potential> RMS force:                                               0.0711373158   |gradient|=.7595386871    
 Eigenvalues of the Hessian matrix:
   737.60573    674.11111    627.79422    603.44108    587.62201    574.28364 
   567.09023    484.65631    463.50562    460.88260    441.53196    429.20998 
   422.04079    408.38990    397.05650    388.67002    368.46961    361.19412 
   350.34871    335.26227    326.89995    321.50414    320.10640    311.27521 
   303.02063    289.22869    278.48452    271.17129    267.43098    264.60262 
   260.71102    253.91680    241.97321    239.10450    234.29360    228.16516 
   218.80929    214.26006    212.73044    207.16661    203.55317    196.98639 
   195.03996    191.41939    183.64008    174.44702    172.17515    167.66089 
   164.50113    158.28263    154.29419    151.71022    148.06501    143.40984 
   137.33034    135.93040    130.56828    128.35076    126.33783    125.30064 
   119.84992    118.12001    117.09671    110.67838    107.42970    104.58021 
   103.07413     99.71046     95.76671     94.03796     93.66561     90.75116 
    89.36370     85.17965     80.89282     79.95543     78.21614     72.94467 
    72.50846     68.23386     65.80385     62.84496     59.93811     59.51286 
    59.00919     56.04859     52.61313     52.31950     50.02037     47.19911 
    42.88713     40.55863     37.67806     36.33413     33.82864     28.79218 
    28.57012     26.98326     23.11347     21.00871     20.62208     16.76527 
    13.82130     12.23867      9.98582      8.60384      6.64395      3.88799 
overlap for current and previous eigenvector    109 is         0.9999997693
overlap for current and previous eigenvector    110 is         0.9999996320
overlap for current and previous eigenvector    111 is         0.9999996514
overlap for current and previous eigenvector    112 is         0.9999972177
overlap for current and previous eigenvector    113 is         0.9999972786
overlap for current and previous eigenvector    114 is         0.9999997033
J1,K1,R1,R2,RAT=   7   7   -0.4671039279E-02     2.004494845        0.9953289607    
FOB,PFOB,DIAG,PSTEP=   -0.6344658501E-05   -0.6315157553E-05     737.6057294        0.8562452400E-08
J1,K1,R1,R2,RAT=   8   8   -0.9540874922E-02     2.009519746        0.9904591251    
FOB,PFOB,DIAG,PSTEP=   -0.6213342647E-05   -0.6154621552E-05     674.1111084        0.9130077367E-08
J1,K1,R1,R2,RAT=   9   9   -0.2081543208E-01     2.020772495        0.9791845679    
FOB,PFOB,DIAG,PSTEP=   -0.1334292135E-05   -0.1307084032E-05     627.7942246        0.2082070912E-08
J1,K1,R1,R2,RAT=  10  10    0.1370219235E-01     1.986343125        0.9862978077    
FOB,PFOB,DIAG,PSTEP=    0.2486617959E-05    0.2521162631E-05     603.4410813       -0.4177881792E-08
J1,K1,R1,R2,RAT=  11  11   -0.4897262243E-02     2.004930061        0.9951027378    
FOB,PFOB,DIAG,PSTEP=   -0.1796558247E-05   -0.1787803050E-05     587.6220087        0.3042387293E-08
J1,K1,R1,R2,RAT= 109 109    0.3751477216E-02     1.996168893        0.9961688929    
FOB,PFOB,DIAG,PSTEP=   -0.7004287960E-04   -0.7030664388E-04     13.82129828        0.5087036097E-05
J1,K1,R1,R2,RAT= 110 110   -0.5355778756         174.5365824        0.4644221244    
FOB,PFOB,DIAG,PSTEP=   -0.1071325441E-01   -0.1064770679E-01     12.23867278        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3576130703         30.06456258        0.6423869297    
FOB,PFOB,DIAG,PSTEP=   -0.1483240880E-02   -0.1518951468E-02     9.985817490        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    -1.009411386         212.7887284        0.9411386325E-02
FOB,PFOB,DIAG,PSTEP=   -0.1250985248E-01   -0.1239172622E-01     8.603841003        0.1360147118E-04
J1,K1,R1,R2,RAT= 113 113   -0.7671524673         309.3345543        0.2328475327    
FOB,PFOB,DIAG,PSTEP=   -0.2882228736E-01   -0.2867968196E-01     6.643949424        0.2797872793E-04
J1,K1,R1,R2,RAT= 114 114    0.9883829254        -974.8511237        0.1161707463E-01
FOB,PFOB,DIAG,PSTEP=   -0.7588113674       -0.7572742372         3.887992658       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001     -0.00001     -0.00002 
    -0.00002     -0.00001     -0.00001      0.00003     -0.00000      0.00002 
     0.00003     -0.00003      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001     -0.00001      0.00001     -0.00003     -0.00001     -0.00007 
     0.00003      0.00003      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001      0.00002     -0.00003      0.00001     -0.00002      0.00005 
    -0.00004      0.00002     -0.00004      0.00001     -0.00001      0.00006 
    -0.00003     -0.00006      0.00001     -0.00006     -0.00001      0.00000 
     0.00004      0.00005     -0.00012     -0.00009     -0.00003      0.00011 
     0.00004     -0.00012     -0.00007      0.00005      0.00008      0.00001 
    -0.00007     -0.01071     -0.00148     -0.01251     -0.02882     -0.75881 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4140137724
 Log product of positive Hessian eigenvalues =          519.5541398809
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8879926579
 Unscaled step for mode    7=        0.0000000086
 Unscaled step for mode    8=        0.0000000092
 Unscaled step for mode    9=        0.0000000021
 Unscaled step for mode   10=       -0.0000000041
 Unscaled step for mode   11=        0.0000000031
 Unscaled step for mode   12=        0.0000000090
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000029
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000155
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000441
 Unscaled step for mode   20=       -0.0000000141
 Unscaled step for mode   21=       -0.0000000151
 Unscaled step for mode   22=        0.0000000258
 Unscaled step for mode   23=       -0.0000000038
 Unscaled step for mode   24=        0.0000000119
 Unscaled step for mode   25=        0.0000000647
 Unscaled step for mode   26=        0.0000001061
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000417
 Unscaled step for mode   29=       -0.0000000718
 Unscaled step for mode   30=        0.0000000797
 Unscaled step for mode   31=        0.0000000663
 Unscaled step for mode   32=        0.0000000309
 Unscaled step for mode   33=       -0.0000000505
 Unscaled step for mode   34=       -0.0000000555
 Unscaled step for mode   35=       -0.0000000924
 Unscaled step for mode   36=       -0.0000000822
 Unscaled step for mode   37=        0.0000000794
 Unscaled step for mode   38=       -0.0000000100
 Unscaled step for mode   39=        0.0000000879
 Unscaled step for mode   40=        0.0000000919
 Unscaled step for mode   41=        0.0000001925
 Unscaled step for mode   42=        0.0000000738
 Unscaled step for mode   43=        0.0000000863
 Unscaled step for mode   44=        0.0000001583
 Unscaled step for mode   45=       -0.0000000095
 Unscaled step for mode   46=       -0.0000001497
 Unscaled step for mode   47=        0.0000001423
 Unscaled step for mode   48=       -0.0000000327
 Unscaled step for mode   49=       -0.0000001491
 Unscaled step for mode   50=       -0.0000000444
 Unscaled step for mode   51=        0.0000000985
 Unscaled step for mode   52=        0.0000000330
 Unscaled step for mode   53=        0.0000000853
 Unscaled step for mode   54=        0.0000001306
 Unscaled step for mode   55=        0.0000001328
 Unscaled step for mode   56=        0.0000000398
 Unscaled step for mode   57=        0.0000000890
 Unscaled step for mode   58=       -0.0000001742
 Unscaled step for mode   59=        0.0000000311
 Unscaled step for mode   60=       -0.0000001719
 Unscaled step for mode   61=       -0.0000002461
 Unscaled step for mode   62=        0.0000001911
 Unscaled step for mode   63=       -0.0000001593
 Unscaled step for mode   64=        0.0000002746
 Unscaled step for mode   65=        0.0000001900
 Unscaled step for mode   66=       -0.0000001123
 Unscaled step for mode   67=        0.0000000975
 Unscaled step for mode   68=        0.0000000781
 Unscaled step for mode   69=       -0.0000000631
 Unscaled step for mode   70=        0.0000002754
 Unscaled step for mode   71=        0.0000000642
 Unscaled step for mode   72=        0.0000006879
 Unscaled step for mode   73=       -0.0000002917
 Unscaled step for mode   74=       -0.0000002568
 Unscaled step for mode   75=       -0.0000008633
 Unscaled step for mode   76=       -0.0000002972
 Unscaled step for mode   77=        0.0000004459
 Unscaled step for mode   78=        0.0000001222
 Unscaled step for mode   79=        0.0000000847
 Unscaled step for mode   80=       -0.0000002578
 Unscaled step for mode   81=        0.0000003186
 Unscaled step for mode   82=       -0.0000001487
 Unscaled step for mode   83=        0.0000002009
 Unscaled step for mode   84=       -0.0000007128
 Unscaled step for mode   85=        0.0000005000
 Unscaled step for mode   86=       -0.0000002202
 Unscaled step for mode   87=        0.0000006824
 Unscaled step for mode   88=       -0.0000001750
 Unscaled step for mode   89=        0.0000001857
 Unscaled step for mode   90=       -0.0000010600
 Unscaled step for mode   91=        0.0000005209
 Unscaled step for mode   92=        0.0000011076
 Unscaled step for mode   93=       -0.0000001468
 Unscaled step for mode   94=        0.0000010667
 Unscaled step for mode   95=        0.0000002978
 Unscaled step for mode   96=       -0.0000000164
 Unscaled step for mode   97=       -0.0000010081
 Unscaled step for mode   98=       -0.0000013059
 Unscaled step for mode   99=        0.0000032816
 Unscaled step for mode  100=        0.0000023711
 Unscaled step for mode  101=        0.0000007849
 Unscaled step for mode  102=       -0.0000036840
 Unscaled step for mode  103=       -0.0000013697
 Unscaled step for mode  104=        0.0000043204
 Unscaled step for mode  105=        0.0000029088
 Unscaled step for mode  106=       -0.0000022470
 Unscaled step for mode  107=       -0.0000037672
 Unscaled step for mode  108=       -0.0000005792
 Unscaled step for mode  109=        0.0000050677
 Unscaled step for mode  110=        0.0008753601
 Unscaled step for mode  111=        0.0001485347
 Unscaled step for mode  112=        0.0014539815
 Unscaled step for mode  113=        0.0043380440
 Unscaled step for mode  114=       -0.1882514244
 Largest modulus ratio of non-zero e/values=           189.7137660    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.313334E-15    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.196609E-14    0.100694E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.267581E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.456368E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.122705E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.501904E-15    0.974005E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.634466E-05    0.737606E+03  0.860169E-08 0.100000E-04    0.995329E+00
   8   -0.621334E-05    0.674111E+03  0.921709E-08 0.100000E-04    0.990459E+00
   9   -0.133429E-05    0.627794E+03  0.212537E-08 0.100000E-04    0.979185E+00
  10    0.248662E-05    0.603441E+03 -0.412073E-08 0.100000E-04    0.986298E+00
  11   -0.179656E-05    0.587622E+03  0.305734E-08 0.100000E-04    0.995103E+00
  12   -0.517277E-05    0.574284E+03  0.900734E-08 0.100000E-04    0.983294E+00
  13   -0.363726E-05    0.567090E+03  0.641390E-08 0.100000E-04    0.990625E+00
  14    0.141766E-05    0.484656E+03 -0.292508E-08 0.100000E-04    0.946262E+00
  15    0.198754E-05    0.463506E+03 -0.428806E-08 0.100000E-04    0.983594E+00
  16    0.714849E-05    0.460883E+03 -0.155104E-07 0.100000E-04    0.999189E+00
  17    0.454796E-05    0.441532E+03 -0.103004E-07 0.100000E-04    0.991546E+00
  18    0.480026E-05    0.429210E+03 -0.111839E-07 0.100000E-04    0.998392E+00
  19   -0.186181E-04    0.422041E+03  0.441145E-07 0.100000E-04    0.999327E+00
  20    0.576058E-05    0.408390E+03 -0.141056E-07 0.100000E-04    0.991797E+00
  21    0.600311E-05    0.397057E+03 -0.151190E-07 0.100000E-04    0.993343E+00
  22   -0.100327E-04    0.388670E+03  0.258129E-07 0.100000E-04    0.997921E+00
  23    0.138611E-05    0.368470E+03 -0.376181E-08 0.100000E-04    0.960629E+00
  24   -0.428180E-05    0.361194E+03  0.118546E-07 0.100000E-04    0.991129E+00
  25   -0.226646E-04    0.350349E+03  0.646914E-07 0.100000E-04    0.997965E+00
  26   -0.355872E-04    0.335262E+03  0.106147E-06 0.100000E-04    0.999898E+00
  27   -0.176373E-04    0.326900E+03  0.539532E-07 0.100000E-04    0.998502E+00
  28    0.133907E-04    0.321504E+03 -0.416501E-07 0.100000E-04    0.996118E+00
  29    0.229965E-04    0.320106E+03 -0.718401E-07 0.100000E-04    0.993315E+00
  30   -0.248129E-04    0.311275E+03  0.797138E-07 0.100000E-04    0.998375E+00
  31   -0.201014E-04    0.303021E+03  0.663369E-07 0.100000E-04    0.992670E+00
  32   -0.893113E-05    0.289229E+03  0.308791E-07 0.100000E-04    0.997233E+00
  33    0.140707E-04    0.278485E+03 -0.505260E-07 0.100000E-04    0.997853E+00
  34    0.150561E-04    0.271171E+03 -0.555224E-07 0.100000E-04    0.997295E+00
  35    0.247217E-04    0.267431E+03 -0.924414E-07 0.100000E-04    0.997506E+00
  36    0.217484E-04    0.264603E+03 -0.821929E-07 0.100000E-04    0.996838E+00
  37   -0.207040E-04    0.260711E+03  0.794138E-07 0.100000E-04    0.998900E+00
  38    0.254128E-05    0.253917E+03 -0.100083E-07 0.100000E-04    0.976808E+00
  39   -0.212766E-04    0.241973E+03  0.879297E-07 0.100000E-04    0.999573E+00
  40   -0.219661E-04    0.239104E+03  0.918680E-07 0.100000E-04    0.993156E+00
  41   -0.451024E-04    0.234294E+03  0.192504E-06 0.100000E-04    0.997610E+00
  42   -0.168327E-04    0.228165E+03  0.737744E-07 0.100000E-04    0.993479E+00
  43   -0.188793E-04    0.218809E+03  0.862822E-07 0.100000E-04    0.993554E+00
  44   -0.339133E-04    0.214260E+03  0.158281E-06 0.100000E-04    0.994086E+00
  45    0.202831E-05    0.212730E+03 -0.953464E-08 0.100000E-04    0.984157E+00
  46    0.310147E-04    0.207167E+03 -0.149709E-06 0.100000E-04    0.996241E+00
  47   -0.289615E-04    0.203553E+03  0.142280E-06 0.100000E-04    0.999974E+00
  48    0.643265E-05    0.196986E+03 -0.326553E-07 0.100000E-04    0.999562E+00
  49    0.290769E-04    0.195040E+03 -0.149082E-06 0.100000E-04    0.995068E+00
  50    0.849308E-05    0.191419E+03 -0.443690E-07 0.100000E-04    0.976045E+00
  51   -0.180864E-04    0.183640E+03  0.984885E-07 0.100000E-04    0.995834E+00
  52   -0.576359E-05    0.174447E+03  0.330392E-07 0.100000E-04    0.988455E+00
  53   -0.146899E-04    0.172175E+03  0.853196E-07 0.100000E-04    0.998991E+00
  54   -0.219031E-04    0.167661E+03  0.130639E-06 0.100000E-04    0.994526E+00
  55   -0.218510E-04    0.164501E+03  0.132832E-06 0.100000E-04    0.998709E+00
  56   -0.629480E-05    0.158283E+03  0.397693E-07 0.100000E-04    0.991443E+00
  57   -0.137296E-04    0.154294E+03  0.889834E-07 0.100000E-04    0.996572E+00
  58    0.264228E-04    0.151710E+03 -0.174166E-06 0.100000E-04    0.998762E+00
  59   -0.460179E-05    0.148065E+03  0.310795E-07 0.100000E-04    0.999520E+00
  60    0.246515E-04    0.143410E+03 -0.171895E-06 0.100000E-04    0.997418E+00
  61    0.338004E-04    0.137330E+03 -0.246125E-06 0.100000E-04    0.998233E+00
  62   -0.259797E-04    0.135930E+03  0.191125E-06 0.100000E-04    0.996394E+00
  63    0.208011E-04    0.130568E+03 -0.159312E-06 0.100000E-04    0.990055E+00
  64   -0.352509E-04    0.128351E+03  0.274645E-06 0.100000E-04    0.996087E+00
  65   -0.240073E-04    0.126338E+03  0.190025E-06 0.100000E-04    0.997478E+00
  66    0.140721E-04    0.125301E+03 -0.112306E-06 0.100000E-04    0.988788E+00
  67   -0.116808E-04    0.119850E+03  0.974621E-07 0.100000E-04    0.987841E+00
  68   -0.922852E-05    0.118120E+03  0.781284E-07 0.100000E-04    0.998186E+00
  69    0.739398E-05    0.117097E+03 -0.631442E-07 0.100000E-04    0.995911E+00
  70   -0.304789E-04    0.110678E+03  0.275383E-06 0.100000E-04    0.993500E+00
  71   -0.689306E-05    0.107430E+03  0.641635E-07 0.100000E-04    0.997316E+00
  72   -0.719388E-04    0.104580E+03  0.687882E-06 0.100000E-04    0.998848E+00
  73    0.300668E-04    0.103074E+03 -0.291701E-06 0.100000E-04    0.999762E+00
  74    0.256087E-04    0.997105E+02 -0.256831E-06 0.100000E-04    0.993547E+00
  75    0.826753E-04    0.957667E+02 -0.863298E-06 0.100000E-04    0.999069E+00
  76    0.279438E-04    0.940380E+02 -0.297155E-06 0.100000E-04    0.986753E+00
  77   -0.417671E-04    0.936656E+02  0.445917E-06 0.100000E-04    0.989533E+00
  78   -0.110904E-04    0.907512E+02  0.122207E-06 0.100000E-04    0.971882E+00
  79   -0.757192E-05    0.893637E+02  0.847315E-07 0.100000E-04    0.987391E+00
  80    0.219614E-04    0.851796E+02 -0.257825E-06 0.100000E-04    0.997629E+00
  81   -0.257687E-04    0.808928E+02  0.318554E-06 0.100000E-04    0.997759E+00
  82    0.118891E-04    0.799554E+02 -0.148697E-06 0.100000E-04    0.977177E+00
  83   -0.157114E-04    0.782161E+02  0.200872E-06 0.100000E-04    0.990088E+00
  84    0.519921E-04    0.729447E+02 -0.712761E-06 0.100000E-04    0.999936E+00
  85   -0.362527E-04    0.725085E+02  0.499979E-06 0.100000E-04    0.987947E+00
  86    0.150230E-04    0.682339E+02 -0.220170E-06 0.100000E-04    0.990769E+00
  87   -0.449044E-04    0.658039E+02  0.682397E-06 0.100000E-04    0.999575E+00
  88    0.109949E-04    0.628450E+02 -0.174953E-06 0.100000E-04    0.998448E+00
  89   -0.111294E-04    0.599381E+02  0.185681E-06 0.100000E-04    0.990866E+00
  90    0.630825E-04    0.595129E+02 -0.105998E-05 0.100000E-04    0.996179E+00
  91   -0.307374E-04    0.590092E+02  0.520892E-06 0.100000E-04    0.983355E+00
  92   -0.620792E-04    0.560486E+02  0.110760E-05 0.100000E-04    0.997024E+00
  93    0.772138E-05    0.526131E+02 -0.146758E-06 0.100000E-04    0.935599E+00
  94   -0.558115E-04    0.523195E+02  0.106674E-05 0.100000E-04    0.998662E+00
  95   -0.148956E-04    0.500204E+02  0.297790E-06 0.100000E-04    0.971434E+00
  96    0.772408E-06    0.471991E+02 -0.163649E-07 0.100000E-04    0.894736E+00
  97    0.432361E-04    0.428871E+02 -0.100814E-05 0.100000E-04    0.991649E+00
  98    0.529646E-04    0.405586E+02 -0.130588E-05 0.100000E-04    0.999876E+00
  99   -0.123645E-03    0.376781E+02  0.328161E-05 0.100000E-04    0.996115E+00
 100   -0.861530E-04    0.363341E+02  0.237113E-05 0.100000E-04    0.999223E+00
 101   -0.265514E-04    0.338286E+02  0.784879E-06 0.100000E-04    0.985793E+00
 102    0.106071E-03    0.287922E+02 -0.368404E-05 0.100000E-04    0.998511E+00
 103    0.391321E-04    0.285701E+02 -0.136969E-05 0.100000E-04    0.993067E+00
 104   -0.116579E-03    0.269833E+02  0.432042E-05 0.100000E-04    0.998478E+00
 105   -0.672336E-04    0.231135E+02  0.290885E-05 0.100000E-04    0.996042E+00
 106    0.472058E-04    0.210087E+02 -0.224696E-05 0.100000E-04    0.999156E+00
 107    0.776881E-04    0.206221E+02 -0.376723E-05 0.100000E-04    0.994982E+00
 108    0.970966E-05    0.167653E+02 -0.579153E-06 0.100000E-04    0.943843E+00
 109   -0.700429E-04    0.138213E+02  0.506775E-05 0.100000E-04    0.996169E+00
 110   -0.107133E-01    0.122387E+02  0.100000E-04 0.100000E-04    0.464422E+00
 111   -0.148324E-02    0.998582E+01  0.100000E-04 0.100000E-04    0.642387E+00
 112   -0.125099E-01    0.860384E+01  0.148256E-04 0.148256E-04    0.941139E-02
 113   -0.288223E-01    0.664395E+01  0.252061E-04 0.252061E-04    0.232848E+00
 114   -0.758811E+00    0.388799E+01 -0.400000E-03 0.400000E-03    0.116171E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1882514244    

 Beginning of optimization cycle  396.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3378106132
 potential> RMS force:                                               0.0712817473   |gradient|=.7610807934    
 Eigenvalues of the Hessian matrix:
   737.67063    674.11851    627.80767    603.42711    587.61257    574.32579 
   567.08980    484.68320    463.48239    460.87656    441.53479    429.20341 
   422.04286    408.39479    397.05149    388.66611    368.47962    361.18616 
   350.34100    335.25334    326.91655    321.50755    320.09765    311.25753 
   303.00423    289.23921    278.48072    271.18063    267.43866    264.60654 
   260.73098    253.91509    241.96850    239.11767    234.28328    228.15854 
   218.78859    214.26720    212.73729    207.16620    203.55178    196.97703 
   195.03618    191.41759    183.63058    174.43883    172.17916    167.66360 
   164.49206    158.27102    154.29910    151.71613    148.05521    143.41182 
   137.33446    135.93105    130.56690    128.35518    126.34202    125.29509 
   119.85143    118.12066    117.09750    110.67358    107.42402    104.57770 
   103.07318     99.70963     95.76734     94.02251     93.67532     90.75491 
    89.35763     85.18258     80.89234     79.95760     78.21494     72.94796 
    72.51273     68.23288     65.79340     62.83700     59.93860     59.50824 
    59.00596     56.04844     52.61137     52.31951     50.01988     47.19291 
    42.88813     40.56141     37.68161     36.33630     33.81615     28.79192 
    28.56880     26.97561     23.11556     21.00573     20.62200     16.76414 
    13.82185     12.23864      9.98721      8.60053      6.63539      3.88239 
overlap for current and previous eigenvector    109 is         0.9999997729
overlap for current and previous eigenvector    110 is         0.9999996363
overlap for current and previous eigenvector    111 is         0.9999996665
overlap for current and previous eigenvector    112 is         0.9999972665
overlap for current and previous eigenvector    113 is         0.9999973180
overlap for current and previous eigenvector    114 is         0.9999997107
J1,K1,R1,R2,RAT=   7   7   -0.6171801464E-02     2.005995832        0.9938281985    
FOB,PFOB,DIAG,PSTEP=   -0.6383819919E-05   -0.6344658501E-05     737.6706332        0.8601693626E-08
J1,K1,R1,R2,RAT=   8   8    0.3735867004E-02     1.996242185        0.9962421847    
FOB,PFOB,DIAG,PSTEP=   -0.6190130171E-05   -0.6213342647E-05     674.1185063        0.9217089838E-08
J1,K1,R1,R2,RAT=   9   9    0.3074386436E-02     1.996882796        0.9968827956    
FOB,PFOB,DIAG,PSTEP=   -0.1330189918E-05   -0.1334292135E-05     627.8076653        0.2125365419E-08
J1,K1,R1,R2,RAT=  10  10   -0.2366366625E-01     2.023709960        0.9763363338    
FOB,PFOB,DIAG,PSTEP=    0.2545459094E-05    0.2486617959E-05     603.4271138       -0.4120730317E-08
J1,K1,R1,R2,RAT=  11  11   -0.1053344093E-01     2.010565556        0.9894665591    
FOB,PFOB,DIAG,PSTEP=   -0.1815481884E-05   -0.1796558247E-05     587.6125731        0.3057336554E-08
J1,K1,R1,R2,RAT= 109 109    0.2056237782E-02     1.997863653        0.9978636532    
FOB,PFOB,DIAG,PSTEP=   -0.6989884902E-04   -0.7004287960E-04     13.82185191        0.5067749657E-05
J1,K1,R1,R2,RAT= 110 110   -0.5540021960         175.6266008        0.4459978040    
FOB,PFOB,DIAG,PSTEP=   -0.1078105676E-01   -0.1071325441E-01     12.23864214        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3572826935         29.34552717        0.6427173065    
FOB,PFOB,DIAG,PSTEP=   -0.1447558310E-02   -0.1483240880E-02     9.987209199        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8175076098         197.0380959        0.1824923902    
FOB,PFOB,DIAG,PSTEP=   -0.1261409128E-01   -0.1250985248E-01     8.600530233        0.1482560359E-04
J1,K1,R1,R2,RAT= 113 113   -0.8982685477         345.5551853        0.1017314523    
FOB,PFOB,DIAG,PSTEP=   -0.2897252461E-01   -0.2882228736E-01     6.635390010        0.2520606120E-04
J1,K1,R1,R2,RAT= 114 114    0.9886034066        -978.2352373        0.1139659341E-01
FOB,PFOB,DIAG,PSTEP=   -0.7603466267       -0.7588113674         3.882394378       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001     -0.00001     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00003      0.00000     -0.00002 
     0.00003     -0.00003      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001     -0.00001      0.00001      0.00003     -0.00001     -0.00007 
    -0.00003     -0.00003      0.00008     -0.00003     -0.00004     -0.00001 
     0.00001     -0.00002      0.00003     -0.00001      0.00002      0.00005 
     0.00004     -0.00002     -0.00005      0.00001     -0.00001      0.00006 
    -0.00003     -0.00006     -0.00001      0.00006     -0.00002      0.00000 
     0.00004      0.00005     -0.00012     -0.00009     -0.00003      0.00011 
     0.00004      0.00012      0.00007     -0.00005     -0.00008      0.00001 
    -0.00007     -0.01078     -0.00145     -0.01261     -0.02897     -0.76035 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4137991963
 Log product of positive Hessian eigenvalues =          519.5498745975
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8823943778
 Unscaled step for mode    7=        0.0000000087
 Unscaled step for mode    8=        0.0000000092
 Unscaled step for mode    9=        0.0000000021
 Unscaled step for mode   10=       -0.0000000042
 Unscaled step for mode   11=        0.0000000031
 Unscaled step for mode   12=        0.0000000090
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000029
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000156
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000112
 Unscaled step for mode   19=        0.0000000443
 Unscaled step for mode   20=       -0.0000000141
 Unscaled step for mode   21=       -0.0000000151
 Unscaled step for mode   22=        0.0000000259
 Unscaled step for mode   23=       -0.0000000036
 Unscaled step for mode   24=        0.0000000119
 Unscaled step for mode   25=        0.0000000648
 Unscaled step for mode   26=        0.0000001064
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000416
 Unscaled step for mode   29=       -0.0000000726
 Unscaled step for mode   30=        0.0000000794
 Unscaled step for mode   31=        0.0000000664
 Unscaled step for mode   32=        0.0000000310
 Unscaled step for mode   33=       -0.0000000509
 Unscaled step for mode   34=       -0.0000000559
 Unscaled step for mode   35=       -0.0000000922
 Unscaled step for mode   36=       -0.0000000822
 Unscaled step for mode   37=        0.0000000796
 Unscaled step for mode   38=       -0.0000000102
 Unscaled step for mode   39=        0.0000000882
 Unscaled step for mode   40=        0.0000000925
 Unscaled step for mode   41=        0.0000001927
 Unscaled step for mode   42=        0.0000000738
 Unscaled step for mode   43=        0.0000000862
 Unscaled step for mode   44=        0.0000001585
 Unscaled step for mode   45=       -0.0000000102
 Unscaled step for mode   46=       -0.0000001500
 Unscaled step for mode   47=        0.0000001418
 Unscaled step for mode   48=       -0.0000000330
 Unscaled step for mode   49=       -0.0000001489
 Unscaled step for mode   50=       -0.0000000456
 Unscaled step for mode   51=        0.0000000984
 Unscaled step for mode   52=        0.0000000332
 Unscaled step for mode   53=        0.0000000856
 Unscaled step for mode   54=        0.0000001308
 Unscaled step for mode   55=        0.0000001329
 Unscaled step for mode   56=        0.0000000400
 Unscaled step for mode   57=       -0.0000000896
 Unscaled step for mode   58=        0.0000001743
 Unscaled step for mode   59=       -0.0000000317
 Unscaled step for mode   60=        0.0000001720
 Unscaled step for mode   61=       -0.0000002481
 Unscaled step for mode   62=        0.0000001908
 Unscaled step for mode   63=       -0.0000001604
 Unscaled step for mode   64=        0.0000002759
 Unscaled step for mode   65=        0.0000001915
 Unscaled step for mode   66=       -0.0000001121
 Unscaled step for mode   67=        0.0000000972
 Unscaled step for mode   68=        0.0000000783
 Unscaled step for mode   69=       -0.0000000640
 Unscaled step for mode   70=       -0.0000002744
 Unscaled step for mode   71=        0.0000000641
 Unscaled step for mode   72=        0.0000006914
 Unscaled step for mode   73=        0.0000002920
 Unscaled step for mode   74=        0.0000002574
 Unscaled step for mode   75=       -0.0000008642
 Unscaled step for mode   76=        0.0000003026
 Unscaled step for mode   77=        0.0000004426
 Unscaled step for mode   78=        0.0000001222
 Unscaled step for mode   79=       -0.0000000852
 Unscaled step for mode   80=        0.0000002570
 Unscaled step for mode   81=       -0.0000003192
 Unscaled step for mode   82=        0.0000001487
 Unscaled step for mode   83=       -0.0000001988
 Unscaled step for mode   84=       -0.0000007188
 Unscaled step for mode   85=       -0.0000005012
 Unscaled step for mode   86=        0.0000002233
 Unscaled step for mode   87=        0.0000006846
 Unscaled step for mode   88=       -0.0000001769
 Unscaled step for mode   89=        0.0000001767
 Unscaled step for mode   90=       -0.0000010607
 Unscaled step for mode   91=        0.0000005360
 Unscaled step for mode   92=        0.0000011034
 Unscaled step for mode   93=        0.0000001407
 Unscaled step for mode   94=       -0.0000010716
 Unscaled step for mode   95=        0.0000003016
 Unscaled step for mode   96=       -0.0000000232
 Unscaled step for mode   97=       -0.0000010204
 Unscaled step for mode   98=       -0.0000013136
 Unscaled step for mode   99=        0.0000032942
 Unscaled step for mode  100=        0.0000023663
 Unscaled step for mode  101=        0.0000008060
 Unscaled step for mode  102=       -0.0000037001
 Unscaled step for mode  103=       -0.0000013753
 Unscaled step for mode  104=       -0.0000043617
 Unscaled step for mode  105=       -0.0000029202
 Unscaled step for mode  106=        0.0000023684
 Unscaled step for mode  107=        0.0000036481
 Unscaled step for mode  108=       -0.0000006571
 Unscaled step for mode  109=        0.0000050571
 Unscaled step for mode  110=        0.0008809023
 Unscaled step for mode  111=        0.0001449412
 Unscaled step for mode  112=        0.0014666612
 Unscaled step for mode  113=        0.0043662802
 Unscaled step for mode  114=       -0.1888594017
 Largest modulus ratio of non-zero e/values=           190.0040443    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.745714E-15    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.158120E-14    0.100694E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.862914E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.224647E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.174448E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.943839E-15    0.974007E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.638382E-05    0.737671E+03  0.865402E-08 0.100000E-04    0.993828E+00
   8   -0.619013E-05    0.674119E+03  0.918255E-08 0.100000E-04    0.996242E+00
   9   -0.133019E-05    0.627808E+03  0.211879E-08 0.100000E-04    0.996883E+00
  10    0.254546E-05    0.603427E+03 -0.421834E-08 0.100000E-04    0.976336E+00
  11   -0.181548E-05    0.587613E+03  0.308959E-08 0.100000E-04    0.989467E+00
  12   -0.515247E-05    0.574326E+03  0.897134E-08 0.100000E-04    0.995930E+00
  13   -0.360974E-05    0.567090E+03  0.636537E-08 0.100000E-04    0.992434E+00
  14    0.142927E-05    0.484683E+03 -0.294888E-08 0.100000E-04    0.991808E+00
  15    0.197781E-05    0.463482E+03 -0.426729E-08 0.100000E-04    0.995107E+00
  16    0.719074E-05    0.460877E+03 -0.156023E-07 0.100000E-04    0.994090E+00
  17    0.459932E-05    0.441535E+03 -0.104167E-07 0.100000E-04    0.988707E+00
  18    0.480604E-05    0.429203E+03 -0.111976E-07 0.100000E-04    0.998796E+00
  19   -0.186872E-04    0.422043E+03  0.442780E-07 0.100000E-04    0.996289E+00
  20    0.576801E-05    0.408395E+03 -0.141236E-07 0.100000E-04    0.998711E+00
  21    0.601295E-05    0.397051E+03 -0.151440E-07 0.100000E-04    0.998361E+00
  22   -0.100779E-04    0.388666E+03  0.259294E-07 0.100000E-04    0.995499E+00
  23    0.132994E-05    0.368480E+03 -0.360928E-08 0.100000E-04    0.959424E+00
  24   -0.431407E-05    0.361186E+03  0.119442E-07 0.100000E-04    0.992463E+00
  25   -0.227116E-04    0.350341E+03  0.648270E-07 0.100000E-04    0.997926E+00
  26   -0.356568E-04    0.335253E+03  0.106358E-06 0.100000E-04    0.998046E+00
  27   -0.176440E-04    0.326917E+03  0.539709E-07 0.100000E-04    0.999621E+00
  28    0.133650E-04    0.321508E+03 -0.415699E-07 0.100000E-04    0.998064E+00
  29    0.232504E-04    0.320098E+03 -0.726352E-07 0.100000E-04    0.988959E+00
  30   -0.247060E-04    0.311258E+03  0.793749E-07 0.100000E-04    0.995691E+00
  31   -0.201093E-04    0.303004E+03  0.663665E-07 0.100000E-04    0.999608E+00
  32   -0.896845E-05    0.289239E+03  0.310070E-07 0.100000E-04    0.995821E+00
  33    0.141693E-04    0.278481E+03 -0.508806E-07 0.100000E-04    0.992996E+00
  34    0.151708E-04    0.271181E+03 -0.559434E-07 0.100000E-04    0.992383E+00
  35    0.246636E-04    0.267439E+03 -0.922215E-07 0.100000E-04    0.997592E+00
  36    0.217563E-04    0.264607E+03 -0.822212E-07 0.100000E-04    0.999640E+00
  37   -0.207477E-04    0.260731E+03  0.795752E-07 0.100000E-04    0.997890E+00
  38    0.259628E-05    0.253915E+03 -0.102250E-07 0.100000E-04    0.978356E+00
  39   -0.213319E-04    0.241969E+03  0.881598E-07 0.100000E-04    0.997402E+00
  40   -0.221241E-04    0.239118E+03  0.925239E-07 0.100000E-04    0.992806E+00
  41   -0.451468E-04    0.234283E+03  0.192702E-06 0.100000E-04    0.999016E+00
  42   -0.168441E-04    0.228159E+03  0.738261E-07 0.100000E-04    0.999328E+00
  43   -0.188632E-04    0.218789E+03  0.862165E-07 0.100000E-04    0.999144E+00
  44   -0.339658E-04    0.214267E+03  0.158521E-06 0.100000E-04    0.998450E+00
  45    0.216762E-05    0.212737E+03 -0.101892E-07 0.100000E-04    0.931320E+00
  46    0.310835E-04    0.207166E+03 -0.150041E-06 0.100000E-04    0.997781E+00
  47   -0.288643E-04    0.203552E+03  0.141803E-06 0.100000E-04    0.996643E+00
  48    0.649856E-05    0.196977E+03 -0.329914E-07 0.100000E-04    0.989754E+00
  49    0.290417E-04    0.195036E+03 -0.148904E-06 0.100000E-04    0.998788E+00
  50    0.872113E-05    0.191418E+03 -0.455607E-07 0.100000E-04    0.973149E+00
  51   -0.180638E-04    0.183631E+03  0.983701E-07 0.100000E-04    0.998747E+00
  52   -0.579638E-05    0.174439E+03  0.332288E-07 0.100000E-04    0.994310E+00
  53   -0.147441E-04    0.172179E+03  0.856324E-07 0.100000E-04    0.996311E+00
  54   -0.219221E-04    0.167664E+03  0.130750E-06 0.100000E-04    0.999134E+00
  55   -0.218665E-04    0.164492E+03  0.132934E-06 0.100000E-04    0.999289E+00
  56   -0.632763E-05    0.158271E+03  0.399797E-07 0.100000E-04    0.994784E+00
  57    0.138273E-04    0.154299E+03 -0.896139E-07 0.100000E-04    0.992883E+00
  58   -0.264449E-04    0.151716E+03  0.174305E-06 0.100000E-04    0.999164E+00
  59    0.468945E-05    0.148055E+03 -0.316736E-07 0.100000E-04    0.980949E+00
  60   -0.246663E-04    0.143412E+03  0.171996E-06 0.100000E-04    0.999401E+00
  61    0.340723E-04    0.137334E+03 -0.248097E-06 0.100000E-04    0.991957E+00
  62   -0.259346E-04    0.135931E+03  0.190792E-06 0.100000E-04    0.998253E+00
  63    0.209425E-04    0.130567E+03 -0.160397E-06 0.100000E-04    0.993201E+00
  64   -0.354095E-04    0.128355E+03  0.275871E-06 0.100000E-04    0.995501E+00
  65   -0.241923E-04    0.126342E+03  0.191483E-06 0.100000E-04    0.992295E+00
  66    0.140476E-04    0.125295E+03 -0.112116E-06 0.100000E-04    0.998263E+00
  67   -0.116514E-04    0.119851E+03  0.972150E-07 0.100000E-04    0.997452E+00
  68   -0.924970E-05    0.118121E+03  0.783073E-07 0.100000E-04    0.997705E+00
  69    0.749251E-05    0.117097E+03 -0.639852E-07 0.100000E-04    0.986675E+00
  70    0.303653E-04    0.110674E+03 -0.274368E-06 0.100000E-04    0.996272E+00
  71   -0.688147E-05    0.107424E+03  0.640589E-07 0.100000E-04    0.998318E+00
  72   -0.723048E-04    0.104578E+03  0.691398E-06 0.100000E-04    0.994913E+00
  73   -0.301001E-04    0.103073E+03  0.292026E-06 0.100000E-04    0.998894E+00
  74   -0.256622E-04    0.997096E+02  0.257369E-06 0.100000E-04    0.997913E+00
  75    0.827668E-04    0.957673E+02 -0.864249E-06 0.100000E-04    0.998893E+00
  76   -0.284521E-04    0.940225E+02  0.302610E-06 0.100000E-04    0.981808E+00
  77   -0.414605E-04    0.936753E+02  0.442598E-06 0.100000E-04    0.992453E+00
  78   -0.110865E-04    0.907549E+02  0.122158E-06 0.100000E-04    0.999559E+00
  79    0.760916E-05    0.893576E+02 -0.851540E-07 0.100000E-04    0.995082E+00
  80   -0.218910E-04    0.851826E+02  0.256989E-06 0.100000E-04    0.996724E+00
  81    0.258180E-04    0.808923E+02 -0.319165E-06 0.100000E-04    0.998087E+00
  82   -0.118883E-04    0.799576E+02  0.148683E-06 0.100000E-04    0.999878E+00
  83    0.155505E-04    0.782149E+02 -0.198818E-06 0.100000E-04    0.989760E+00
  84    0.524331E-04    0.729480E+02 -0.718774E-06 0.100000E-04    0.991519E+00
  85    0.363420E-04    0.725127E+02 -0.501181E-06 0.100000E-04    0.997537E+00
  86   -0.152352E-04    0.682329E+02  0.223282E-06 0.100000E-04    0.985881E+00
  87   -0.450434E-04    0.657934E+02  0.684619E-06 0.100000E-04    0.996904E+00
  88    0.111130E-04    0.628370E+02 -0.176855E-06 0.100000E-04    0.989257E+00
  89   -0.105894E-04    0.599386E+02  0.176671E-06 0.100000E-04    0.951464E+00
  90    0.631184E-04    0.595082E+02 -0.106067E-05 0.100000E-04    0.999430E+00
  91   -0.316276E-04    0.590060E+02  0.536007E-06 0.100000E-04    0.971037E+00
  92   -0.618465E-04    0.560484E+02  0.110345E-05 0.100000E-04    0.996251E+00
  93   -0.740142E-05    0.526114E+02  0.140681E-06 0.100000E-04    0.958560E+00
  94    0.560640E-04    0.523195E+02 -0.107157E-05 0.100000E-04    0.995476E+00
  95   -0.150866E-04    0.500199E+02  0.301612E-06 0.100000E-04    0.987177E+00
  96    0.109424E-05    0.471929E+02 -0.231865E-07 0.100000E-04    0.583287E+00
  97    0.437646E-04    0.428881E+02 -0.102044E-05 0.100000E-04    0.987776E+00
  98    0.532835E-04    0.405614E+02 -0.131365E-05 0.100000E-04    0.993979E+00
  99   -0.124131E-03    0.376816E+02  0.329421E-05 0.100000E-04    0.996066E+00
 100   -0.859818E-04    0.363363E+02  0.236628E-05 0.100000E-04    0.997893E+00
 101   -0.272544E-04    0.338162E+02  0.805958E-06 0.100000E-04    0.973513E+00
 102    0.106533E-03    0.287919E+02 -0.370009E-05 0.100000E-04    0.995652E+00
 103    0.392905E-04    0.285688E+02 -0.137529E-05 0.100000E-04    0.995952E+00
 104    0.117661E-03    0.269756E+02 -0.436175E-05 0.100000E-04    0.990718E+00
 105    0.675021E-04    0.231156E+02 -0.292020E-05 0.100000E-04    0.996006E+00
 106   -0.497490E-04    0.210057E+02  0.236835E-05 0.100000E-04    0.946117E+00
 107   -0.752304E-04    0.206220E+02  0.364807E-05 0.100000E-04    0.968365E+00
 108    0.110153E-04    0.167641E+02 -0.657075E-06 0.100000E-04    0.865524E+00
 109   -0.698988E-04    0.138219E+02  0.505713E-05 0.100000E-04    0.997864E+00
 110   -0.107811E-01    0.122386E+02  0.100000E-04 0.100000E-04    0.445998E+00
 111   -0.144756E-02    0.998721E+01  0.100000E-04 0.100000E-04    0.642717E+00
 112   -0.126141E-01    0.860053E+01  0.161599E-04 0.161599E-04    0.182492E+00
 113   -0.289725E-01    0.663539E+01  0.274746E-04 0.274746E-04    0.101731E+00
 114   -0.760347E+00    0.388239E+01 -0.400000E-03 0.400000E-03    0.113966E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1888594017    

 Beginning of optimization cycle  397.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3375072832
 potential> RMS force:                                               0.0714258943   |gradient|=.7626198626    
 Eigenvalues of the Hessian matrix:
   737.73573    674.12577    627.82140    603.41286    587.60310    574.36797 
   567.08889    484.71005    463.45905    460.87050    441.53758    429.19698 
   422.04480    408.39943    397.04640    388.66197    368.48972    361.17824 
   350.33318    335.24459    326.93330    321.51097    320.08878    311.23987 
   302.98774    289.24972    278.47706    271.19005    267.44631    264.61042 
   260.75114    253.91326    241.96377    239.13090    234.27313    228.15189 
   218.76792    214.27439    212.74415    207.16589    203.55031    196.96759 
   195.03242    191.41585    183.62116    174.43070    172.18319    167.66633 
   164.48296    158.25941    154.30402    151.72201    148.04532    143.41376 
   137.33863    135.93169    130.56549    128.35962    126.34623    125.28942 
   119.85294    118.12132    117.09825    110.66883    107.41836    104.57522 
   103.07222     99.70880     95.76799     94.00700     93.68496     90.75868 
    89.35151     85.18556     80.89188     79.95983     78.21374     72.95125 
    72.51691     68.23188     65.78294     62.82896     59.93914     59.50367 
    59.00267     56.04827     52.60963     52.31946     50.01945     47.18667 
    42.88923     40.56420     37.68515     36.33847     33.80363     28.79169 
    28.56749     26.96800     23.11765     21.00295     20.62173     16.76300 
    13.82242     12.23862      9.98859      8.59744      6.62685      3.87678 
overlap for current and previous eigenvector    109 is         0.9999997773
overlap for current and previous eigenvector    110 is        -0.9999996400
overlap for current and previous eigenvector    111 is        -0.9999996719
overlap for current and previous eigenvector    112 is        -0.9999974410
overlap for current and previous eigenvector    113 is         0.9999974741
overlap for current and previous eigenvector    114 is         0.9999996981
J1,K1,R1,R2,RAT=   7   7   -0.5879212847E-02     2.005702749        0.9941207872    
FOB,PFOB,DIAG,PSTEP=   -0.6421355067E-05   -0.6383819919E-05     737.7357250        0.8654024752E-08
J1,K1,R1,R2,RAT=   8   8   -0.7711825865E-02     2.007690284        0.9922881741    
FOB,PFOB,DIAG,PSTEP=   -0.6237867891E-05   -0.6190130171E-05     674.1257673        0.9182554867E-08
J1,K1,R1,R2,RAT=   9   9   -0.6548490868E-01     2.065441164        0.9345150913    
FOB,PFOB,DIAG,PSTEP=   -0.1417299188E-05   -0.1330189918E-05     627.8213974        0.2118785723E-08
J1,K1,R1,R2,RAT=  10  10   -0.8206044541E-03     2.000867838        0.9991793955    
FOB,PFOB,DIAG,PSTEP=    0.2547547860E-05    0.2545459094E-05     603.4128632       -0.4218337287E-08
J1,K1,R1,R2,RAT=  11  11    0.1466389245E-01     1.985368362        0.9853361075    
FOB,PFOB,DIAG,PSTEP=   -0.1788860282E-05   -0.1815481884E-05     587.6030965        0.3089589922E-08
J1,K1,R1,R2,RAT= 109 109   -0.1418201525E-01     2.014100477        0.9858179847    
FOB,PFOB,DIAG,PSTEP=   -0.7089019598E-04   -0.6989884902E-04     13.82241543        0.5057126172E-05
J1,K1,R1,R2,RAT= 110 110     176.7238031       -0.5428200593        0.4571799407    
FOB,PFOB,DIAG,PSTEP=    0.1084749042E-01   -0.1078105676E-01     12.23861574        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     28.63099124        0.3532527968        0.6467472032    
FOB,PFOB,DIAG,PSTEP=    0.1412273344E-02   -0.1447558310E-02     9.988587647        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     182.3258638       -0.7417097827        0.2582902173    
FOB,PFOB,DIAG,PSTEP=    0.1271713986E-01   -0.1261409128E-01     8.597439658        0.1615990791E-04
J1,K1,R1,R2,RAT= 113 113   -0.8443298175         319.1009704        0.1556701825    
FOB,PFOB,DIAG,PSTEP=   -0.2912625191E-01   -0.2897252461E-01     6.626853622        0.2747460670E-04
J1,K1,R1,R2,RAT= 114 114    0.9879982357        -981.6296965        0.1200176431E-01
FOB,PFOB,DIAG,PSTEP=   -0.7618787279       -0.7603466267         3.876781031       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
    -0.00002      0.00001     -0.00001     -0.00003      0.00000     -0.00002 
    -0.00003     -0.00003     -0.00002      0.00004      0.00002     -0.00001 
     0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00007 
     0.00003      0.00003      0.00008     -0.00003     -0.00004     -0.00001 
    -0.00001      0.00002     -0.00003     -0.00001      0.00002      0.00005 
    -0.00004      0.00002     -0.00004      0.00001     -0.00001      0.00006 
    -0.00003     -0.00006     -0.00001      0.00006     -0.00001      0.00000 
     0.00004     -0.00005      0.00012      0.00009      0.00003     -0.00011 
    -0.00004     -0.00012     -0.00007      0.00005      0.00007      0.00001 
    -0.00007      0.01085      0.00141      0.01272     -0.02913     -0.76188 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4135818868
 Log product of positive Hessian eigenvalues =          519.5456303473
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8767810307
 Unscaled step for mode    7=        0.0000000087
 Unscaled step for mode    8=        0.0000000093
 Unscaled step for mode    9=        0.0000000023
 Unscaled step for mode   10=       -0.0000000042
 Unscaled step for mode   11=        0.0000000030
 Unscaled step for mode   12=        0.0000000092
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000031
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000156
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000443
 Unscaled step for mode   20=       -0.0000000139
 Unscaled step for mode   21=       -0.0000000150
 Unscaled step for mode   22=        0.0000000262
 Unscaled step for mode   23=       -0.0000000039
 Unscaled step for mode   24=        0.0000000122
 Unscaled step for mode   25=        0.0000000648
 Unscaled step for mode   26=        0.0000001064
 Unscaled step for mode   27=        0.0000000539
 Unscaled step for mode   28=       -0.0000000413
 Unscaled step for mode   29=       -0.0000000733
 Unscaled step for mode   30=        0.0000000795
 Unscaled step for mode   31=        0.0000000667
 Unscaled step for mode   32=        0.0000000314
 Unscaled step for mode   33=       -0.0000000510
 Unscaled step for mode   34=       -0.0000000563
 Unscaled step for mode   35=       -0.0000000925
 Unscaled step for mode   36=       -0.0000000828
 Unscaled step for mode   37=        0.0000000795
 Unscaled step for mode   38=       -0.0000000105
 Unscaled step for mode   39=        0.0000000882
 Unscaled step for mode   40=        0.0000000936
 Unscaled step for mode   41=        0.0000001934
 Unscaled step for mode   42=        0.0000000747
 Unscaled step for mode   43=        0.0000000867
 Unscaled step for mode   44=        0.0000001598
 Unscaled step for mode   45=       -0.0000000103
 Unscaled step for mode   46=       -0.0000001508
 Unscaled step for mode   47=        0.0000001420
 Unscaled step for mode   48=       -0.0000000328
 Unscaled step for mode   49=       -0.0000001494
 Unscaled step for mode   50=       -0.0000000448
 Unscaled step for mode   51=        0.0000000983
 Unscaled step for mode   52=       -0.0000000334
 Unscaled step for mode   53=        0.0000000854
 Unscaled step for mode   54=        0.0000001310
 Unscaled step for mode   55=        0.0000001333
 Unscaled step for mode   56=       -0.0000000409
 Unscaled step for mode   57=        0.0000000894
 Unscaled step for mode   58=        0.0000001746
 Unscaled step for mode   59=       -0.0000000325
 Unscaled step for mode   60=        0.0000001717
 Unscaled step for mode   61=        0.0000002477
 Unscaled step for mode   62=        0.0000001904
 Unscaled step for mode   63=        0.0000001591
 Unscaled step for mode   64=       -0.0000002769
 Unscaled step for mode   65=       -0.0000001905
 Unscaled step for mode   66=        0.0000001115
 Unscaled step for mode   67=       -0.0000000991
 Unscaled step for mode   68=        0.0000000777
 Unscaled step for mode   69=       -0.0000000638
 Unscaled step for mode   70=        0.0000002756
 Unscaled step for mode   71=       -0.0000000647
 Unscaled step for mode   72=       -0.0000006938
 Unscaled step for mode   73=       -0.0000002915
 Unscaled step for mode   74=       -0.0000002562
 Unscaled step for mode   75=       -0.0000008641
 Unscaled step for mode   76=        0.0000003074
 Unscaled step for mode   77=        0.0000004372
 Unscaled step for mode   78=        0.0000001218
 Unscaled step for mode   79=        0.0000000850
 Unscaled step for mode   80=       -0.0000002561
 Unscaled step for mode   81=        0.0000003206
 Unscaled step for mode   82=        0.0000001514
 Unscaled step for mode   83=       -0.0000001970
 Unscaled step for mode   84=       -0.0000007201
 Unscaled step for mode   85=        0.0000004954
 Unscaled step for mode   86=       -0.0000002239
 Unscaled step for mode   87=        0.0000006824
 Unscaled step for mode   88=       -0.0000001822
 Unscaled step for mode   89=        0.0000001737
 Unscaled step for mode   90=       -0.0000010543
 Unscaled step for mode   91=        0.0000005429
 Unscaled step for mode   92=        0.0000011025
 Unscaled step for mode   93=        0.0000001300
 Unscaled step for mode   94=       -0.0000010736
 Unscaled step for mode   95=        0.0000002981
 Unscaled step for mode   96=       -0.0000000242
 Unscaled step for mode   97=       -0.0000010103
 Unscaled step for mode   98=        0.0000013118
 Unscaled step for mode   99=       -0.0000032805
 Unscaled step for mode  100=       -0.0000023523
 Unscaled step for mode  101=       -0.0000007938
 Unscaled step for mode  102=        0.0000036983
 Unscaled step for mode  103=        0.0000013911
 Unscaled step for mode  104=        0.0000044025
 Unscaled step for mode  105=        0.0000029054
 Unscaled step for mode  106=       -0.0000023619
 Unscaled step for mode  107=       -0.0000035734
 Unscaled step for mode  108=       -0.0000005876
 Unscaled step for mode  109=        0.0000051286
 Unscaled step for mode  110=       -0.0008863324
 Unscaled step for mode  111=       -0.0001413887
 Unscaled step for mode  112=       -0.0014791743
 Unscaled step for mode  113=        0.0043951007
 Unscaled step for mode  114=       -0.1894686634
 Largest modulus ratio of non-zero e/values=           190.2959489    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.591324E-15    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.160137E-14    0.100694E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.193422E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.272026E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.651198E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.512828E-15    0.974009E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.642136E-05    0.737736E+03  0.870414E-08 0.100000E-04    0.994121E+00
   8   -0.623787E-05    0.674126E+03  0.925327E-08 0.100000E-04    0.992288E+00
   9   -0.141730E-05    0.627821E+03  0.225749E-08 0.100000E-04    0.934515E+00
  10    0.254755E-05    0.603413E+03 -0.422190E-08 0.100000E-04    0.999179E+00
  11   -0.178886E-05    0.587603E+03  0.304433E-08 0.100000E-04    0.985336E+00
  12   -0.530119E-05    0.574368E+03  0.922960E-08 0.100000E-04    0.971139E+00
  13   -0.358669E-05    0.567089E+03  0.632473E-08 0.100000E-04    0.993614E+00
  14    0.152070E-05    0.484710E+03 -0.313734E-08 0.100000E-04    0.936036E+00
  15    0.194104E-05    0.463459E+03 -0.418816E-08 0.100000E-04    0.981407E+00
  16    0.718150E-05    0.460871E+03 -0.155825E-07 0.100000E-04    0.998715E+00
  17    0.454051E-05    0.441538E+03 -0.102834E-07 0.100000E-04    0.987201E+00
  18    0.473149E-05    0.429197E+03 -0.110240E-07 0.100000E-04    0.984487E+00
  19   -0.186931E-04    0.422045E+03  0.442918E-07 0.100000E-04    0.999685E+00
  20    0.567595E-05    0.408399E+03 -0.138980E-07 0.100000E-04    0.984017E+00
  21    0.593946E-05    0.397046E+03 -0.149591E-07 0.100000E-04    0.987778E+00
  22   -0.101729E-04    0.388662E+03  0.261742E-07 0.100000E-04    0.990566E+00
  23    0.142639E-05    0.368490E+03 -0.387090E-08 0.100000E-04    0.927487E+00
  24   -0.440954E-05    0.361178E+03  0.122088E-07 0.100000E-04    0.977868E+00
  25   -0.226973E-04    0.350333E+03  0.647877E-07 0.100000E-04    0.999372E+00
  26   -0.356749E-04    0.335245E+03  0.106414E-06 0.100000E-04    0.999493E+00
  27   -0.176169E-04    0.326933E+03  0.538854E-07 0.100000E-04    0.998364E+00
  28    0.132851E-04    0.321511E+03 -0.413207E-07 0.100000E-04    0.993995E+00
  29    0.234486E-04    0.320089E+03 -0.732567E-07 0.100000E-04    0.991472E+00
  30   -0.247459E-04    0.311240E+03  0.795076E-07 0.100000E-04    0.998384E+00
  31   -0.202238E-04    0.302988E+03  0.667478E-07 0.100000E-04    0.994309E+00
  32   -0.909180E-05    0.289250E+03  0.314324E-07 0.100000E-04    0.986247E+00
  33    0.142052E-04    0.278477E+03 -0.510103E-07 0.100000E-04    0.997464E+00
  34    0.152584E-04    0.271190E+03 -0.562645E-07 0.100000E-04    0.994225E+00
  35    0.247265E-04    0.267446E+03 -0.924541E-07 0.100000E-04    0.997449E+00
  36    0.219182E-04    0.264610E+03 -0.828320E-07 0.100000E-04    0.992557E+00
  37   -0.207416E-04    0.260751E+03  0.795454E-07 0.100000E-04    0.999548E+00
  38    0.267798E-05    0.253913E+03 -0.105468E-07 0.100000E-04    0.968533E+00
  39   -0.213350E-04    0.241964E+03  0.881744E-07 0.100000E-04    0.999854E+00
  40   -0.223854E-04    0.239131E+03  0.936114E-07 0.100000E-04    0.988191E+00
  41   -0.453115E-04    0.234273E+03  0.193413E-06 0.100000E-04    0.996351E+00
  42   -0.170414E-04    0.228152E+03  0.746932E-07 0.100000E-04    0.988284E+00
  43   -0.189589E-04    0.218768E+03  0.866621E-07 0.100000E-04    0.994926E+00
  44   -0.342510E-04    0.214274E+03  0.159846E-06 0.100000E-04    0.991607E+00
  45    0.219962E-05    0.212744E+03 -0.103393E-07 0.100000E-04    0.985236E+00
  46    0.312362E-04    0.207166E+03 -0.150779E-06 0.100000E-04    0.995088E+00
  47   -0.288972E-04    0.203550E+03  0.141966E-06 0.100000E-04    0.998858E+00
  48    0.645737E-05    0.196968E+03 -0.327839E-07 0.100000E-04    0.993661E+00
  49    0.291392E-04    0.195032E+03 -0.149407E-06 0.100000E-04    0.996640E+00
  50    0.856835E-05    0.191416E+03 -0.447630E-07 0.100000E-04    0.982482E+00
  51   -0.180581E-04    0.183621E+03  0.983446E-07 0.100000E-04    0.999689E+00
  52    0.582275E-05    0.174431E+03 -0.333815E-07 0.100000E-04    0.995450E+00
  53   -0.147057E-04    0.172183E+03  0.854075E-07 0.100000E-04    0.997351E+00
  54   -0.219594E-04    0.167666E+03  0.130971E-06 0.100000E-04    0.998300E+00
  55   -0.219272E-04    0.164483E+03  0.133310E-06 0.100000E-04    0.997225E+00
  56    0.646967E-05    0.158259E+03 -0.408802E-07 0.100000E-04    0.977550E+00
  57   -0.138005E-04    0.154304E+03  0.894370E-07 0.100000E-04    0.997994E+00
  58   -0.264831E-04    0.151722E+03  0.174550E-06 0.100000E-04    0.998556E+00
  59    0.480445E-05    0.148045E+03 -0.324526E-07 0.100000E-04    0.975474E+00
  60   -0.246218E-04    0.143414E+03  0.171683E-06 0.100000E-04    0.998169E+00
  61   -0.340139E-04    0.137339E+03  0.247665E-06 0.100000E-04    0.998228E+00
  62   -0.258862E-04    0.135932E+03  0.190435E-06 0.100000E-04    0.998125E+00
  63   -0.207702E-04    0.130565E+03  0.159079E-06 0.100000E-04    0.991773E+00
  64    0.355436E-04    0.128360E+03 -0.276906E-06 0.100000E-04    0.996214E+00
  65    0.240647E-04    0.126346E+03 -0.190467E-06 0.100000E-04    0.994661E+00
  66   -0.139691E-04    0.125289E+03  0.111495E-06 0.100000E-04    0.994410E+00
  67    0.118749E-04    0.119853E+03 -0.990789E-07 0.100000E-04    0.980814E+00
  68   -0.918203E-05    0.118121E+03  0.777339E-07 0.100000E-04    0.992673E+00
  69    0.747561E-05    0.117098E+03 -0.638405E-07 0.100000E-04    0.997732E+00
  70   -0.305030E-04    0.110669E+03  0.275624E-06 0.100000E-04    0.995466E+00
  71    0.694588E-05    0.107418E+03 -0.646619E-07 0.100000E-04    0.990640E+00
  72    0.725572E-04    0.104575E+03 -0.693828E-06 0.100000E-04    0.996509E+00
  73    0.300431E-04    0.103072E+03 -0.291476E-06 0.100000E-04    0.998107E+00
  74    0.255445E-04    0.997088E+02 -0.256191E-06 0.100000E-04    0.995414E+00
  75    0.827508E-04    0.957680E+02 -0.864076E-06 0.100000E-04    0.999793E+00
  76   -0.289009E-04    0.940070E+02  0.307433E-06 0.100000E-04    0.984225E+00
  77   -0.409568E-04    0.936850E+02  0.437176E-06 0.100000E-04    0.987648E+00
  78   -0.110514E-04    0.907587E+02  0.121767E-06 0.100000E-04    0.996759E+00
  79   -0.759688E-05    0.893515E+02  0.850224E-07 0.100000E-04    0.998387E+00
  80    0.218131E-04    0.851856E+02 -0.256066E-06 0.100000E-04    0.996371E+00
  81   -0.259375E-04    0.808919E+02  0.320644E-06 0.100000E-04    0.995371E+00
  82   -0.121091E-04    0.799598E+02  0.151440E-06 0.100000E-04    0.981427E+00
  83    0.154108E-04    0.782137E+02 -0.197034E-06 0.100000E-04    0.991013E+00
  84    0.525290E-04    0.729513E+02 -0.720056E-06 0.100000E-04    0.998172E+00
  85   -0.359219E-04    0.725169E+02  0.495358E-06 0.100000E-04    0.988324E+00
  86    0.152754E-04    0.682319E+02 -0.223875E-06 0.100000E-04    0.997356E+00
  87   -0.448935E-04    0.657829E+02  0.682449E-06 0.100000E-04    0.996672E+00
  88    0.114465E-04    0.628290E+02 -0.182185E-06 0.100000E-04    0.969986E+00
  89   -0.104116E-04    0.599391E+02  0.173704E-06 0.100000E-04    0.983197E+00
  90    0.627375E-04    0.595037E+02 -0.105435E-05 0.100000E-04    0.993965E+00
  91   -0.320302E-04    0.590027E+02  0.542860E-06 0.100000E-04    0.987271E+00
  92   -0.617918E-04    0.560483E+02  0.110247E-05 0.100000E-04    0.999116E+00
  93   -0.684022E-05    0.526096E+02  0.130018E-06 0.100000E-04    0.924175E+00
  94    0.561700E-04    0.523195E+02 -0.107360E-05 0.100000E-04    0.998109E+00
  95   -0.149129E-04    0.500194E+02  0.298143E-06 0.100000E-04    0.988491E+00
  96    0.114401E-05    0.471867E+02 -0.242444E-07 0.100000E-04    0.954504E+00
  97    0.433326E-04    0.428892E+02 -0.101034E-05 0.100000E-04    0.990077E+00
  98   -0.532102E-04    0.405642E+02  0.131175E-05 0.100000E-04    0.998487E+00
  99    0.123625E-03    0.376852E+02 -0.328047E-05 0.100000E-04    0.995737E+00
 100    0.854775E-04    0.363385E+02 -0.235226E-05 0.100000E-04    0.994015E+00
 101    0.268328E-04    0.338036E+02 -0.793783E-06 0.100000E-04    0.984524E+00
 102   -0.106481E-03    0.287917E+02  0.369833E-05 0.100000E-04    0.999517E+00
 103   -0.397410E-04    0.285675E+02  0.139113E-05 0.100000E-04    0.988532E+00
 104   -0.118726E-03    0.269680E+02  0.440246E-05 0.100000E-04    0.990947E+00
 105   -0.671657E-04    0.231176E+02  0.290539E-05 0.100000E-04    0.994836E+00
 106    0.496074E-04    0.210029E+02 -0.236193E-05 0.100000E-04    0.997153E+00
 107    0.736897E-04    0.206217E+02 -0.357340E-05 0.100000E-04    0.979519E+00
 108    0.984913E-05    0.167630E+02 -0.587552E-06 0.100000E-04    0.894125E+00
 109   -0.708902E-04    0.138224E+02  0.512864E-05 0.100000E-04    0.985818E+00
 110    0.108475E-01    0.122386E+02 -0.100000E-04 0.100000E-04    0.457180E+00
 111    0.141227E-02    0.998859E+01 -0.100000E-04 0.100000E-04    0.646747E+00
 112    0.127171E-01    0.859744E+01 -0.145585E-04 0.145585E-04    0.258290E+00
 113   -0.291263E-01    0.662685E+01  0.299473E-04 0.299473E-04    0.155670E+00
 114   -0.761879E+00    0.387678E+01 -0.400000E-03 0.400000E-03    0.120018E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1894686634    

 Beginning of optimization cycle  398.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3372033984
 potential> RMS force:                                               0.0715697905   |gradient|=.7641562540    
 Eigenvalues of the Hessian matrix:
   737.80099    674.13276    627.83517    603.39879    587.59347    574.41037 
   567.08776    484.73682    463.43572    460.86446    441.54036    429.19078 
   422.04682    408.40406    397.04133    388.65787    368.49988    361.17035 
   350.32555    335.23610    326.95015    321.51439    320.07991    311.22231 
   302.97129    289.26029    278.47349    271.19964    267.45406    264.61431 
   260.77165    253.91145    241.95916    239.14423    234.26310    228.14533 
   218.74722    214.28163    212.75103    207.16568    203.54879    196.95812 
   195.02874    191.41406    183.61180    174.42263    172.18716    167.66918 
   164.47380    158.24773    154.30897    151.72787    148.03536    143.41564 
   137.34287    135.93231    130.56401    128.36409    126.35044    125.28364 
   119.85442    118.12195    117.09893    110.66408    107.41268    104.57266 
   103.07121     99.70794     95.76868     93.99140     93.69453     90.76247 
    89.34535     85.18856     80.89141     79.96212     78.21250     72.95451 
    72.52101     68.23077     65.77249     62.82081     59.93971     59.49910 
    58.99919     56.04804     52.60786     52.31936     50.01903     47.18032 
    42.89037     40.56696     37.68861     36.34044     33.79105     28.79145 
    28.56619     26.96038     23.11977     21.00032     20.62123     16.76183 
    13.82298     12.23859      9.98997      8.59439      6.61827      3.87116 
overlap for current and previous eigenvector    109 is         0.9999997751
overlap for current and previous eigenvector    110 is         0.9999996391
overlap for current and previous eigenvector    111 is         0.9999996668
overlap for current and previous eigenvector    112 is         0.9999974714
overlap for current and previous eigenvector    113 is         0.9999975029
overlap for current and previous eigenvector    114 is         0.9999996927
J1,K1,R1,R2,RAT=   7   7   -0.4297358279E-02     2.004120431        0.9957026417    
FOB,PFOB,DIAG,PSTEP=   -0.6448952372E-05   -0.6421355067E-05     737.8009934        0.8704140045E-08
J1,K1,R1,R2,RAT=   8   8   -0.9763693117E-02     2.009742936        0.9902363069    
FOB,PFOB,DIAG,PSTEP=   -0.6298773151E-05   -0.6237867891E-05     674.1327640        0.9253270225E-08
J1,K1,R1,R2,RAT=   9   9   -0.2032787882E-01     2.020284014        0.9796721212    
FOB,PFOB,DIAG,PSTEP=   -0.1446110506E-05   -0.1417299188E-05     627.8351673        0.2257487869E-08
J1,K1,R1,R2,RAT=  10  10    0.1313863674E-01     1.986907999        0.9868613633    
FOB,PFOB,DIAG,PSTEP=    0.2514077334E-05    0.2547547860E-05     603.3987931       -0.4221898496E-08
J1,K1,R1,R2,RAT=  11  11   -0.5018400958E-02     2.005051178        0.9949815990    
FOB,PFOB,DIAG,PSTEP=   -0.1797837353E-05   -0.1788860282E-05     587.5934666        0.3044334335E-08
J1,K1,R1,R2,RAT= 109 109    0.4141143314E-02     1.995777778        0.9957777776    
FOB,PFOB,DIAG,PSTEP=   -0.7059661762E-04   -0.7089019598E-04     13.82297581        0.5128640238E-05
J1,K1,R1,R2,RAT= 110 110   -0.5262905172         177.7932822        0.4737094828    
FOB,PFOB,DIAG,PSTEP=    0.1091190096E-01    0.1084749042E-01     12.23859029       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3571548056         27.91665839        0.6428451944    
FOB,PFOB,DIAG,PSTEP=    0.1376593671E-02    0.1412273344E-02     9.989974361       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9550759417         204.2321035        0.4492405830E-01
FOB,PFOB,DIAG,PSTEP=    0.1283664018E-01    0.1271713986E-01     8.594393591       -0.1455847560E-04
J1,K1,R1,R2,RAT= 113 113   -0.7491551898         294.6574686        0.2508448102    
FOB,PFOB,DIAG,PSTEP=   -0.2927473415E-01   -0.2912625191E-01     6.618274017        0.2994732131E-04
J1,K1,R1,R2,RAT= 114 114    0.9876559406        -985.0313779        0.1234405937E-01
FOB,PFOB,DIAG,PSTEP=   -0.7634080787       -0.7618787279         3.871162992       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
    -0.00002      0.00001     -0.00001     -0.00003      0.00000     -0.00002 
    -0.00003     -0.00003     -0.00002      0.00004      0.00002     -0.00001 
     0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00007 
     0.00003      0.00003      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001      0.00002     -0.00003     -0.00001      0.00002      0.00005 
    -0.00004      0.00002     -0.00004      0.00001     -0.00001      0.00006 
    -0.00003     -0.00006     -0.00001      0.00006     -0.00001      0.00000 
     0.00004     -0.00005      0.00012      0.00009      0.00003     -0.00011 
    -0.00004     -0.00012     -0.00007      0.00005      0.00007      0.00001 
    -0.00007      0.01091      0.00138      0.01284     -0.02927     -0.76341 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4133702284
 Log product of positive Hessian eigenvalues =          519.5413555255
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8711629924
 Unscaled step for mode    7=        0.0000000087
 Unscaled step for mode    8=        0.0000000093
 Unscaled step for mode    9=        0.0000000023
 Unscaled step for mode   10=       -0.0000000042
 Unscaled step for mode   11=        0.0000000031
 Unscaled step for mode   12=        0.0000000094
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000033
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000156
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000443
 Unscaled step for mode   20=       -0.0000000138
 Unscaled step for mode   21=       -0.0000000149
 Unscaled step for mode   22=        0.0000000262
 Unscaled step for mode   23=       -0.0000000040
 Unscaled step for mode   24=        0.0000000123
 Unscaled step for mode   25=        0.0000000649
 Unscaled step for mode   26=        0.0000001064
 Unscaled step for mode   27=        0.0000000539
 Unscaled step for mode   28=       -0.0000000411
 Unscaled step for mode   29=       -0.0000000737
 Unscaled step for mode   30=        0.0000000797
 Unscaled step for mode   31=        0.0000000672
 Unscaled step for mode   32=        0.0000000316
 Unscaled step for mode   33=       -0.0000000509
 Unscaled step for mode   34=       -0.0000000564
 Unscaled step for mode   35=       -0.0000000927
 Unscaled step for mode   36=       -0.0000000832
 Unscaled step for mode   37=        0.0000000796
 Unscaled step for mode   38=       -0.0000000107
 Unscaled step for mode   39=        0.0000000882
 Unscaled step for mode   40=        0.0000000942
 Unscaled step for mode   41=        0.0000001939
 Unscaled step for mode   42=        0.0000000753
 Unscaled step for mode   43=        0.0000000873
 Unscaled step for mode   44=        0.0000001608
 Unscaled step for mode   45=       -0.0000000102
 Unscaled step for mode   46=       -0.0000001513
 Unscaled step for mode   47=        0.0000001420
 Unscaled step for mode   48=       -0.0000000327
 Unscaled step for mode   49=       -0.0000001502
 Unscaled step for mode   50=       -0.0000000435
 Unscaled step for mode   51=        0.0000000988
 Unscaled step for mode   52=       -0.0000000337
 Unscaled step for mode   53=        0.0000000855
 Unscaled step for mode   54=        0.0000001317
 Unscaled step for mode   55=        0.0000001336
 Unscaled step for mode   56=       -0.0000000405
 Unscaled step for mode   57=        0.0000000898
 Unscaled step for mode   58=        0.0000001748
 Unscaled step for mode   59=       -0.0000000324
 Unscaled step for mode   60=        0.0000001722
 Unscaled step for mode   61=        0.0000002471
 Unscaled step for mode   62=        0.0000001898
 Unscaled step for mode   63=        0.0000001572
 Unscaled step for mode   64=       -0.0000002779
 Unscaled step for mode   65=       -0.0000001899
 Unscaled step for mode   66=        0.0000001102
 Unscaled step for mode   67=       -0.0000001004
 Unscaled step for mode   68=        0.0000000777
 Unscaled step for mode   69=       -0.0000000637
 Unscaled step for mode   70=        0.0000002775
 Unscaled step for mode   71=       -0.0000000648
 Unscaled step for mode   72=       -0.0000006945
 Unscaled step for mode   73=       -0.0000002916
 Unscaled step for mode   74=       -0.0000002546
 Unscaled step for mode   75=       -0.0000008649
 Unscaled step for mode   76=       -0.0000003116
 Unscaled step for mode   77=        0.0000004323
 Unscaled step for mode   78=        0.0000001251
 Unscaled step for mode   79=        0.0000000840
 Unscaled step for mode   80=       -0.0000002567
 Unscaled step for mode   81=        0.0000003215
 Unscaled step for mode   82=        0.0000001548
 Unscaled step for mode   83=       -0.0000001991
 Unscaled step for mode   84=       -0.0000007199
 Unscaled step for mode   85=        0.0000004890
 Unscaled step for mode   86=       -0.0000002258
 Unscaled step for mode   87=        0.0000006824
 Unscaled step for mode   88=       -0.0000001827
 Unscaled step for mode   89=        0.0000001728
 Unscaled step for mode   90=       -0.0000010491
 Unscaled step for mode   91=        0.0000005505
 Unscaled step for mode   92=        0.0000011065
 Unscaled step for mode   93=        0.0000001191
 Unscaled step for mode   94=       -0.0000010722
 Unscaled step for mode   95=        0.0000002890
 Unscaled step for mode   96=       -0.0000000251
 Unscaled step for mode   97=       -0.0000010009
 Unscaled step for mode   98=        0.0000013125
 Unscaled step for mode   99=       -0.0000032674
 Unscaled step for mode  100=       -0.0000023511
 Unscaled step for mode  101=       -0.0000007766
 Unscaled step for mode  102=        0.0000036925
 Unscaled step for mode  103=        0.0000013995
 Unscaled step for mode  104=        0.0000043925
 Unscaled step for mode  105=        0.0000029129
 Unscaled step for mode  106=       -0.0000023519
 Unscaled step for mode  107=       -0.0000036059
 Unscaled step for mode  108=       -0.0000005382
 Unscaled step for mode  109=        0.0000051072
 Unscaled step for mode  110=       -0.0008915972
 Unscaled step for mode  111=       -0.0001377975
 Unscaled step for mode  112=       -0.0014936029
 Unscaled step for mode  113=        0.0044232320
 Unscaled step for mode  114=       -0.1900788400
 Largest modulus ratio of non-zero e/values=           190.5889767    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.231802E-15    0.101905E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.143418E-14    0.100694E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.453957E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.141380E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.143874E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.309729E-15    0.974010E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.644895E-05    0.737801E+03  0.874077E-08 0.100000E-04    0.995703E+00
   8   -0.629877E-05    0.674133E+03  0.934352E-08 0.100000E-04    0.990236E+00
   9   -0.144611E-05    0.627835E+03  0.230333E-08 0.100000E-04    0.979672E+00
  10    0.251408E-05    0.603399E+03 -0.416653E-08 0.100000E-04    0.986861E+00
  11   -0.179784E-05    0.587593E+03  0.305966E-08 0.100000E-04    0.994982E+00
  12   -0.538708E-05    0.574410E+03  0.937845E-08 0.100000E-04    0.983799E+00
  13   -0.362334E-05    0.567088E+03  0.638938E-08 0.100000E-04    0.989781E+00
  14    0.159589E-05    0.484737E+03 -0.329228E-08 0.100000E-04    0.950558E+00
  15    0.197573E-05    0.463436E+03 -0.426321E-08 0.100000E-04    0.982131E+00
  16    0.717223E-05    0.460864E+03 -0.155626E-07 0.100000E-04    0.998709E+00
  17    0.450333E-05    0.441540E+03 -0.101991E-07 0.100000E-04    0.991798E+00
  18    0.473755E-05    0.429191E+03 -0.110383E-07 0.100000E-04    0.998718E+00
  19   -0.187030E-04    0.422047E+03  0.443150E-07 0.100000E-04    0.999470E+00
  20    0.562743E-05    0.408404E+03 -0.137791E-07 0.100000E-04    0.991429E+00
  21    0.589844E-05    0.397041E+03 -0.148560E-07 0.100000E-04    0.993093E+00
  22   -0.101959E-04    0.388658E+03  0.262336E-07 0.100000E-04    0.997744E+00
  23    0.148025E-05    0.368500E+03 -0.401696E-08 0.100000E-04    0.962239E+00
  24   -0.444274E-05    0.361170E+03  0.123010E-07 0.100000E-04    0.992470E+00
  25   -0.227473E-04    0.350326E+03  0.649318E-07 0.100000E-04    0.997799E+00
  26   -0.356647E-04    0.335236E+03  0.106387E-06 0.100000E-04    0.999715E+00
  27   -0.176362E-04    0.326950E+03  0.539414E-07 0.100000E-04    0.998908E+00
  28    0.132246E-04    0.321514E+03 -0.411323E-07 0.100000E-04    0.995431E+00
  29    0.235800E-04    0.320080E+03 -0.736691E-07 0.100000E-04    0.994398E+00
  30   -0.248124E-04    0.311222E+03  0.797257E-07 0.100000E-04    0.997313E+00
  31   -0.203726E-04    0.302971E+03  0.672427E-07 0.100000E-04    0.992641E+00
  32   -0.912835E-05    0.289260E+03  0.315576E-07 0.100000E-04    0.995980E+00
  33    0.141661E-04    0.278473E+03 -0.508707E-07 0.100000E-04    0.997251E+00
  34    0.152894E-04    0.271200E+03 -0.563769E-07 0.100000E-04    0.997967E+00
  35    0.247997E-04    0.267454E+03 -0.927250E-07 0.100000E-04    0.997042E+00
  36    0.220053E-04    0.264614E+03 -0.831600E-07 0.100000E-04    0.996026E+00
  37   -0.207654E-04    0.260772E+03  0.796306E-07 0.100000E-04    0.998851E+00
  38    0.272816E-05    0.253911E+03 -0.107445E-07 0.100000E-04    0.981262E+00
  39   -0.213385E-04    0.241959E+03  0.881905E-07 0.100000E-04    0.999837E+00
  40   -0.225367E-04    0.239144E+03  0.942391E-07 0.100000E-04    0.993239E+00
  41   -0.454174E-04    0.234263E+03  0.193874E-06 0.100000E-04    0.997662E+00
  42   -0.171726E-04    0.228145E+03  0.752704E-07 0.100000E-04    0.992302E+00
  43   -0.190865E-04    0.218747E+03  0.872538E-07 0.100000E-04    0.993267E+00
  44   -0.344590E-04    0.214282E+03  0.160812E-06 0.100000E-04    0.993926E+00
  45    0.216329E-05    0.212751E+03 -0.101682E-07 0.100000E-04    0.983419E+00
  46    0.313507E-04    0.207166E+03 -0.151331E-06 0.100000E-04    0.996335E+00
  47   -0.289000E-04    0.203549E+03  0.141981E-06 0.100000E-04    0.999903E+00
  48    0.644495E-05    0.196958E+03 -0.327224E-07 0.100000E-04    0.998077E+00
  49    0.292855E-04    0.195029E+03 -0.150160E-06 0.100000E-04    0.994981E+00
  50    0.833484E-05    0.191414E+03 -0.435435E-07 0.100000E-04    0.972747E+00
  51   -0.181322E-04    0.183612E+03  0.987532E-07 0.100000E-04    0.995896E+00
  52    0.588536E-05    0.174423E+03 -0.337419E-07 0.100000E-04    0.989248E+00
  53   -0.147159E-04    0.172187E+03  0.854644E-07 0.100000E-04    0.999311E+00
  54   -0.220854E-04    0.167669E+03  0.131720E-06 0.100000E-04    0.994262E+00
  55   -0.219729E-04    0.164474E+03  0.133595E-06 0.100000E-04    0.997914E+00
  56    0.641473E-05    0.158248E+03 -0.405360E-07 0.100000E-04    0.991508E+00
  57   -0.138550E-04    0.154309E+03  0.897872E-07 0.100000E-04    0.996053E+00
  58   -0.265256E-04    0.151728E+03  0.174824E-06 0.100000E-04    0.998394E+00
  59    0.479953E-05    0.148035E+03 -0.324215E-07 0.100000E-04    0.998975E+00
  60   -0.246915E-04    0.143416E+03  0.172168E-06 0.100000E-04    0.997167E+00
  61   -0.339441E-04    0.137343E+03  0.247149E-06 0.100000E-04    0.997886E+00
  62   -0.257961E-04    0.135932E+03  0.189772E-06 0.100000E-04    0.996510E+00
  63   -0.205307E-04    0.130564E+03  0.157247E-06 0.100000E-04    0.988469E+00
  64    0.356740E-04    0.128364E+03 -0.277912E-06 0.100000E-04    0.996331E+00
  65    0.239988E-04    0.126350E+03 -0.189938E-06 0.100000E-04    0.997192E+00
  66   -0.138043E-04    0.125284E+03  0.110184E-06 0.100000E-04    0.988200E+00
  67    0.120352E-04    0.119854E+03 -0.100416E-06 0.100000E-04    0.986498E+00
  68   -0.917260E-05    0.118122E+03  0.776536E-07 0.100000E-04    0.998962E+00
  69    0.745499E-05    0.117099E+03 -0.636641E-07 0.100000E-04    0.997230E+00
  70   -0.307125E-04    0.110664E+03  0.277529E-06 0.100000E-04    0.993133E+00
  71    0.695971E-05    0.107413E+03 -0.647942E-07 0.100000E-04    0.998007E+00
  72    0.726226E-04    0.104573E+03 -0.694470E-06 0.100000E-04    0.999099E+00
  73    0.300570E-04    0.103071E+03 -0.291614E-06 0.100000E-04    0.999536E+00
  74    0.253882E-04    0.997079E+02 -0.254626E-06 0.100000E-04    0.993883E+00
  75    0.828343E-04    0.957687E+02 -0.864941E-06 0.100000E-04    0.998991E+00
  76    0.292855E-04    0.939914E+02 -0.311576E-06 0.100000E-04    0.986691E+00
  77   -0.405035E-04    0.936945E+02  0.432293E-06 0.100000E-04    0.988728E+00
  78   -0.113588E-04    0.907625E+02  0.125148E-06 0.100000E-04    0.972195E+00
  79   -0.750420E-05    0.893454E+02  0.839909E-07 0.100000E-04    0.987799E+00
  80    0.218698E-04    0.851886E+02 -0.256723E-06 0.100000E-04    0.997399E+00
  81   -0.260032E-04    0.808914E+02  0.321458E-06 0.100000E-04    0.997468E+00
  82   -0.123808E-04    0.799621E+02  0.154834E-06 0.100000E-04    0.977562E+00
  83    0.155715E-04    0.782125E+02 -0.199092E-06 0.100000E-04    0.989571E+00
  84    0.525227E-04    0.729545E+02 -0.719938E-06 0.100000E-04    0.999792E+00
  85   -0.354606E-04    0.725210E+02  0.488970E-06 0.100000E-04    0.987046E+00
  86    0.154042E-04    0.682308E+02 -0.225766E-06 0.100000E-04    0.991572E+00
  87   -0.448807E-04    0.657725E+02  0.682362E-06 0.100000E-04    0.999713E+00
  88    0.114742E-04    0.628208E+02 -0.182650E-06 0.100000E-04    0.997580E+00
  89   -0.103559E-04    0.599397E+02  0.172772E-06 0.100000E-04    0.994627E+00
  90    0.624208E-04    0.594991E+02 -0.104911E-05 0.100000E-04    0.994952E+00
  91   -0.324779E-04    0.589992E+02  0.550480E-06 0.100000E-04    0.986023E+00
  92   -0.620153E-04    0.560480E+02  0.110647E-05 0.100000E-04    0.996383E+00
  93   -0.626326E-05    0.526079E+02  0.119056E-06 0.100000E-04    0.915649E+00
  94    0.560986E-04    0.523194E+02 -0.107223E-05 0.100000E-04    0.998729E+00
  95   -0.144575E-04    0.500190E+02  0.289041E-06 0.100000E-04    0.969463E+00
  96    0.118507E-05    0.471803E+02 -0.251179E-07 0.100000E-04    0.964106E+00
  97    0.429283E-04    0.428904E+02 -0.100088E-05 0.100000E-04    0.990617E+00
  98   -0.532459E-04    0.405670E+02  0.131254E-05 0.100000E-04    0.999329E+00
  99    0.123144E-03    0.376886E+02 -0.326739E-05 0.100000E-04    0.995921E+00
 100    0.854389E-04    0.363404E+02 -0.235107E-05 0.100000E-04    0.999440E+00
 101    0.262421E-04    0.337911E+02 -0.776600E-06 0.100000E-04    0.977981E+00
 102   -0.106311E-03    0.287914E+02  0.369247E-05 0.100000E-04    0.998405E+00
 103   -0.399792E-04    0.285662E+02  0.139953E-05 0.100000E-04    0.994007E+00
 104   -0.118425E-03    0.269604E+02  0.439254E-05 0.100000E-04    0.997464E+00
 105   -0.673449E-04    0.231198E+02  0.291287E-05 0.100000E-04    0.997332E+00
 106    0.493911E-04    0.210003E+02 -0.235192E-05 0.100000E-04    0.995640E+00
 107    0.743574E-04    0.206212E+02 -0.360587E-05 0.100000E-04    0.990938E+00
 108    0.902060E-05    0.167618E+02 -0.538163E-06 0.100000E-04    0.915872E+00
 109   -0.705966E-04    0.138230E+02  0.510719E-05 0.100000E-04    0.995778E+00
 110    0.109119E-01    0.122386E+02 -0.100000E-04 0.100000E-04    0.473709E+00
 111    0.137659E-02    0.998997E+01 -0.100000E-04 0.100000E-04    0.642845E+00
 112    0.128366E-01    0.859439E+01 -0.158687E-04 0.158687E-04    0.449241E-01
 113   -0.292747E-01    0.661827E+01  0.269796E-04 0.269796E-04    0.250845E+00
 114   -0.763408E+00    0.387116E+01 -0.400000E-03 0.400000E-03    0.123441E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1900788400    

 Beginning of optimization cycle  399.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3368988391
 potential> RMS force:                                               0.0717135250   |gradient|=.7656909178    
 Eigenvalues of the Hessian matrix:
   737.86618    674.14006    627.84890    603.38442    587.58405    574.45247 
   567.08681    484.76373    463.41243    460.85840    441.54320    429.18433 
   422.04874    408.40868    397.03629    388.65370    368.51005    361.16245 
   350.31774    335.22762    326.96694    321.51794    320.07071    311.20486 
   302.95467    289.27086    278.46985    271.20922    267.46168    264.61806 
   260.79194    253.90951    241.95441    239.15741    234.25304    228.13860 
   218.72656    214.28876    212.75788    207.16550    203.54724    196.94861 
   195.02496    191.41229    183.60237    174.41462    172.19108    167.67196 
   164.46466    158.23609    154.31386    151.73376    148.02547    143.41758 
   137.34706    135.93288    130.56263    128.36850    126.35468    125.27795 
   119.85592    118.12260    117.09967    110.65936    107.40711    104.57020 
   103.07020     99.70711     95.76948     93.97576     93.70403     90.76621 
    89.33922     85.19151     80.89093     79.96433     78.21129     72.95786 
    72.52519     68.22976     65.76215     62.81260     59.94030     59.49471 
    58.99566     56.04786     52.60618     52.31928     50.01861     47.17404 
    42.89149     40.56976     37.69211     36.34259     33.77853     28.79122 
    28.56487     26.95277     23.12185     20.99798     20.62047     16.76066 
    13.82354     12.23857      9.99135      8.59133      6.60969      3.86554 
overlap for current and previous eigenvector    109 is         0.9999997789
overlap for current and previous eigenvector    110 is         0.9999996436
overlap for current and previous eigenvector    111 is         0.9999996818
overlap for current and previous eigenvector    112 is        -0.9999975162
overlap for current and previous eigenvector    113 is         0.9999975394
overlap for current and previous eigenvector    114 is         0.9999997012
J1,K1,R1,R2,RAT=   7   7   -0.6107349676E-02     2.005930665        0.9938926503    
FOB,PFOB,DIAG,PSTEP=   -0.6488341859E-05   -0.6448952372E-05     737.8661784        0.8740774855E-08
J1,K1,R1,R2,RAT=   8   8    0.4167191560E-02     1.995811167        0.9958111667    
FOB,PFOB,DIAG,PSTEP=   -0.6272524672E-05   -0.6298773151E-05     674.1400588        0.9343520278E-08
J1,K1,R1,R2,RAT=   9   9    0.4158345786E-02     1.995797924        0.9957979238    
FOB,PFOB,DIAG,PSTEP=   -0.1440096947E-05   -0.1446110506E-05     627.8488953        0.2303328297E-08
J1,K1,R1,R2,RAT=  10  10   -0.2494716879E-01     2.024994826        0.9750528312    
FOB,PFOB,DIAG,PSTEP=    0.2576794951E-05    0.2514077334E-05     603.3844152       -0.4166526952E-08
J1,K1,R1,R2,RAT=  11  11   -0.1099884298E-01     2.011030896        0.9890011570    
FOB,PFOB,DIAG,PSTEP=   -0.1817611167E-05   -0.1797837353E-05     587.5840496        0.3059661918E-08
J1,K1,R1,R2,RAT= 109 109    0.2197123506E-02     1.997721311        0.9977213106    
FOB,PFOB,DIAG,PSTEP=   -0.7044150180E-04   -0.7059661762E-04     13.82353957        0.5107193891E-05
J1,K1,R1,R2,RAT= 110 110   -0.5459554106         178.8658374        0.4540445894    
FOB,PFOB,DIAG,PSTEP=    0.1097871809E-01    0.1091190096E-01     12.23856907       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3565755021         27.19913740        0.6434244979    
FOB,PFOB,DIAG,PSTEP=    0.1340966969E-02    0.1376593671E-02     9.991348624       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     189.0794003       -0.7671775663        0.2328224337    
FOB,PFOB,DIAG,PSTEP=   -0.1294123225E-01    0.1283664018E-01     8.591331031       -0.1586873840E-04
J1,K1,R1,R2,RAT= 113 113   -0.8767854197         329.2038099        0.1232145803    
FOB,PFOB,DIAG,PSTEP=   -0.2943108839E-01   -0.2927473415E-01     6.609693502        0.2697956875E-04
J1,K1,R1,R2,RAT= 114 114    0.9879021915        -988.4417846        0.1209780853E-01
FOB,PFOB,DIAG,PSTEP=   -0.7649355881       -0.7634080787         3.865537886       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001     -0.00001     -0.00002 
     0.00002      0.00001     -0.00001      0.00003     -0.00000      0.00002 
     0.00003      0.00003      0.00002     -0.00004     -0.00002      0.00001 
     0.00001      0.00001     -0.00001     -0.00003     -0.00001     -0.00007 
    -0.00003      0.00003      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001     -0.00002     -0.00003     -0.00001      0.00002      0.00005 
    -0.00004      0.00002     -0.00005      0.00001     -0.00001      0.00006 
    -0.00003     -0.00006      0.00001     -0.00006     -0.00001      0.00000 
     0.00004      0.00005     -0.00012      0.00009      0.00003     -0.00011 
    -0.00004     -0.00012     -0.00007      0.00005      0.00007     -0.00001 
    -0.00007      0.01098      0.00134     -0.01294     -0.02943     -0.76494 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4131514619
 Log product of positive Hessian eigenvalues =          519.5370877470
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8655378864
 Unscaled step for mode    7=        0.0000000088
 Unscaled step for mode    8=        0.0000000093
 Unscaled step for mode    9=        0.0000000023
 Unscaled step for mode   10=       -0.0000000043
 Unscaled step for mode   11=        0.0000000031
 Unscaled step for mode   12=        0.0000000093
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000033
 Unscaled step for mode   15=       -0.0000000042
 Unscaled step for mode   16=       -0.0000000157
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000445
 Unscaled step for mode   20=       -0.0000000138
 Unscaled step for mode   21=       -0.0000000149
 Unscaled step for mode   22=        0.0000000264
 Unscaled step for mode   23=       -0.0000000038
 Unscaled step for mode   24=        0.0000000124
 Unscaled step for mode   25=        0.0000000651
 Unscaled step for mode   26=        0.0000001066
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000411
 Unscaled step for mode   29=       -0.0000000745
 Unscaled step for mode   30=        0.0000000794
 Unscaled step for mode   31=        0.0000000673
 Unscaled step for mode   32=        0.0000000317
 Unscaled step for mode   33=       -0.0000000512
 Unscaled step for mode   34=       -0.0000000568
 Unscaled step for mode   35=       -0.0000000925
 Unscaled step for mode   36=       -0.0000000832
 Unscaled step for mode   37=        0.0000000798
 Unscaled step for mode   38=       -0.0000000110
 Unscaled step for mode   39=        0.0000000884
 Unscaled step for mode   40=        0.0000000949
 Unscaled step for mode   41=        0.0000001940
 Unscaled step for mode   42=        0.0000000753
 Unscaled step for mode   43=        0.0000000872
 Unscaled step for mode   44=        0.0000001610
 Unscaled step for mode   45=       -0.0000000109
 Unscaled step for mode   46=       -0.0000001516
 Unscaled step for mode   47=        0.0000001415
 Unscaled step for mode   48=       -0.0000000331
 Unscaled step for mode   49=       -0.0000001499
 Unscaled step for mode   50=       -0.0000000448
 Unscaled step for mode   51=        0.0000000986
 Unscaled step for mode   52=        0.0000000339
 Unscaled step for mode   53=        0.0000000858
 Unscaled step for mode   54=        0.0000001318
 Unscaled step for mode   55=       -0.0000001337
 Unscaled step for mode   56=       -0.0000000408
 Unscaled step for mode   57=        0.0000000904
 Unscaled step for mode   58=       -0.0000001750
 Unscaled step for mode   59=        0.0000000330
 Unscaled step for mode   60=       -0.0000001723
 Unscaled step for mode   61=       -0.0000002492
 Unscaled step for mode   62=       -0.0000001894
 Unscaled step for mode   63=       -0.0000001584
 Unscaled step for mode   64=        0.0000002791
 Unscaled step for mode   65=        0.0000001915
 Unscaled step for mode   66=       -0.0000001100
 Unscaled step for mode   67=       -0.0000001001
 Unscaled step for mode   68=       -0.0000000778
 Unscaled step for mode   69=        0.0000000646
 Unscaled step for mode   70=        0.0000002764
 Unscaled step for mode   71=        0.0000000647
 Unscaled step for mode   72=        0.0000006981
 Unscaled step for mode   73=        0.0000002919
 Unscaled step for mode   74=       -0.0000002552
 Unscaled step for mode   75=       -0.0000008658
 Unscaled step for mode   76=       -0.0000003172
 Unscaled step for mode   77=        0.0000004288
 Unscaled step for mode   78=        0.0000001250
 Unscaled step for mode   79=        0.0000000844
 Unscaled step for mode   80=        0.0000002558
 Unscaled step for mode   81=        0.0000003221
 Unscaled step for mode   82=        0.0000001547
 Unscaled step for mode   83=       -0.0000001969
 Unscaled step for mode   84=       -0.0000007262
 Unscaled step for mode   85=        0.0000004903
 Unscaled step for mode   86=       -0.0000002289
 Unscaled step for mode   87=        0.0000006847
 Unscaled step for mode   88=       -0.0000001847
 Unscaled step for mode   89=        0.0000001641
 Unscaled step for mode   90=       -0.0000010491
 Unscaled step for mode   91=        0.0000005660
 Unscaled step for mode   92=        0.0000011020
 Unscaled step for mode   93=       -0.0000001128
 Unscaled step for mode   94=        0.0000010771
 Unscaled step for mode   95=        0.0000002933
 Unscaled step for mode   96=       -0.0000000321
 Unscaled step for mode   97=       -0.0000010140
 Unscaled step for mode   98=       -0.0000013207
 Unscaled step for mode   99=        0.0000032807
 Unscaled step for mode  100=       -0.0000023462
 Unscaled step for mode  101=       -0.0000007985
 Unscaled step for mode  102=        0.0000037092
 Unscaled step for mode  103=        0.0000014046
 Unscaled step for mode  104=        0.0000044349
 Unscaled step for mode  105=        0.0000029244
 Unscaled step for mode  106=       -0.0000024727
 Unscaled step for mode  107=       -0.0000034757
 Unscaled step for mode  108=        0.0000006203
 Unscaled step for mode  109=        0.0000050958
 Unscaled step for mode  110=       -0.0008970582
 Unscaled step for mode  111=       -0.0001342128
 Unscaled step for mode  112=        0.0015063094
 Unscaled step for mode  113=        0.0044526278
 Unscaled step for mode  114=       -0.1906902558
 Largest modulus ratio of non-zero e/values=           190.8831837    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.156342E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.713080E-15    0.100693E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.694858E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.842208E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.297207E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.105547E-15    0.974012E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.648834E-05    0.737866E+03  0.879339E-08 0.100000E-04    0.993893E+00
   8   -0.627252E-05    0.674140E+03  0.930448E-08 0.100000E-04    0.995811E+00
   9   -0.144010E-05    0.627849E+03  0.229370E-08 0.100000E-04    0.995798E+00
  10    0.257679E-05    0.603384E+03 -0.427057E-08 0.100000E-04    0.975053E+00
  11   -0.181761E-05    0.587584E+03  0.309336E-08 0.100000E-04    0.989001E+00
  12   -0.536181E-05    0.574452E+03  0.933377E-08 0.100000E-04    0.995163E+00
  13   -0.359371E-05    0.567087E+03  0.633715E-08 0.100000E-04    0.991824E+00
  14    0.160493E-05    0.484764E+03 -0.331074E-08 0.100000E-04    0.994338E+00
  15    0.196544E-05    0.463412E+03 -0.424123E-08 0.100000E-04    0.994793E+00
  16    0.721570E-05    0.460858E+03 -0.156571E-07 0.100000E-04    0.993939E+00
  17    0.455756E-05    0.441543E+03 -0.103219E-07 0.100000E-04    0.987958E+00
  18    0.474416E-05    0.429184E+03 -0.110539E-07 0.100000E-04    0.998606E+00
  19   -0.187740E-04    0.422049E+03  0.444830E-07 0.100000E-04    0.996205E+00
  20    0.563653E-05    0.408409E+03 -0.138012E-07 0.100000E-04    0.998383E+00
  21    0.591027E-05    0.397036E+03 -0.148860E-07 0.100000E-04    0.997994E+00
  22   -0.102414E-04    0.388654E+03  0.263509E-07 0.100000E-04    0.995539E+00
  23    0.141869E-05    0.368510E+03 -0.384980E-08 0.100000E-04    0.958360E+00
  24   -0.447450E-05    0.361162E+03  0.123891E-07 0.100000E-04    0.992853E+00
  25   -0.227947E-04    0.350318E+03  0.650688E-07 0.100000E-04    0.997912E+00
  26   -0.357344E-04    0.335228E+03  0.106597E-06 0.100000E-04    0.998045E+00
  27   -0.176412E-04    0.326967E+03  0.539540E-07 0.100000E-04    0.999716E+00
  28    0.132000E-04    0.321518E+03 -0.410553E-07 0.100000E-04    0.998116E+00
  29    0.238335E-04    0.320071E+03 -0.744633E-07 0.100000E-04    0.989247E+00
  30   -0.246996E-04    0.311205E+03  0.793677E-07 0.100000E-04    0.995454E+00
  31   -0.203746E-04    0.302955E+03  0.672529E-07 0.100000E-04    0.999902E+00
  32   -0.916615E-05    0.289271E+03  0.316871E-07 0.100000E-04    0.995860E+00
  33    0.142683E-04    0.278470E+03 -0.512383E-07 0.100000E-04    0.992787E+00
  34    0.154063E-04    0.271209E+03 -0.568060E-07 0.100000E-04    0.992354E+00
  35    0.247367E-04    0.267462E+03 -0.924867E-07 0.100000E-04    0.997402E+00
  36    0.220099E-04    0.264618E+03 -0.831763E-07 0.100000E-04    0.999789E+00
  37   -0.208087E-04    0.260792E+03  0.797903E-07 0.100000E-04    0.997916E+00
  38    0.278246E-05    0.253910E+03 -0.109585E-07 0.100000E-04    0.980097E+00
  39   -0.213947E-04    0.241954E+03  0.884246E-07 0.100000E-04    0.997365E+00
  40   -0.226940E-04    0.239157E+03  0.948913E-07 0.100000E-04    0.993024E+00
  41   -0.454567E-04    0.234253E+03  0.194049E-06 0.100000E-04    0.999136E+00
  42   -0.171799E-04    0.228139E+03  0.753048E-07 0.100000E-04    0.999572E+00
  43   -0.190627E-04    0.218727E+03  0.871530E-07 0.100000E-04    0.998751E+00
  44   -0.345054E-04    0.214289E+03  0.161023E-06 0.100000E-04    0.998654E+00
  45    0.231155E-05    0.212758E+03 -0.108647E-07 0.100000E-04    0.931470E+00
  46    0.314153E-04    0.207166E+03 -0.151644E-06 0.100000E-04    0.997938E+00
  47   -0.287970E-04    0.203547E+03  0.141476E-06 0.100000E-04    0.996436E+00
  48    0.651397E-05    0.196949E+03 -0.330745E-07 0.100000E-04    0.989291E+00
  49    0.292420E-04    0.195025E+03 -0.149940E-06 0.100000E-04    0.998515E+00
  50    0.857900E-05    0.191412E+03 -0.448195E-07 0.100000E-04    0.970706E+00
  51   -0.181060E-04    0.183602E+03  0.986151E-07 0.100000E-04    0.998550E+00
  52   -0.591829E-05    0.174415E+03  0.339323E-07 0.100000E-04    0.994404E+00
  53   -0.147719E-04    0.172191E+03  0.857876E-07 0.100000E-04    0.996196E+00
  54   -0.220997E-04    0.167672E+03  0.131803E-06 0.100000E-04    0.999352E+00
  55    0.219897E-04    0.164465E+03 -0.133704E-06 0.100000E-04    0.999239E+00
  56    0.644955E-05    0.158236E+03 -0.407590E-07 0.100000E-04    0.994573E+00
  57   -0.139557E-04    0.154314E+03  0.904370E-07 0.100000E-04    0.992730E+00
  58    0.265468E-04    0.151734E+03 -0.174956E-06 0.100000E-04    0.999203E+00
  59   -0.488891E-05    0.148025E+03  0.330275E-07 0.100000E-04    0.981377E+00
  60    0.247053E-04    0.143418E+03 -0.172261E-06 0.100000E-04    0.999442E+00
  61    0.342270E-04    0.137347E+03 -0.249201E-06 0.100000E-04    0.991666E+00
  62    0.257505E-04    0.135933E+03 -0.189435E-06 0.100000E-04    0.998222E+00
  63    0.206815E-04    0.130563E+03 -0.158403E-06 0.100000E-04    0.992658E+00
  64   -0.358337E-04    0.128368E+03  0.279148E-06 0.100000E-04    0.995521E+00
  65   -0.241912E-04    0.126355E+03  0.191454E-06 0.100000E-04    0.991984E+00
  66    0.137852E-04    0.125278E+03 -0.110037E-06 0.100000E-04    0.998615E+00
  67    0.120006E-04    0.119856E+03 -0.100126E-06 0.100000E-04    0.997101E+00
  68    0.919487E-05    0.118123E+03 -0.778418E-07 0.100000E-04    0.997572E+00
  69   -0.756005E-05    0.117100E+03  0.645608E-07 0.100000E-04    0.985907E+00
  70   -0.305860E-04    0.110659E+03  0.276397E-06 0.100000E-04    0.995881E+00
  71   -0.694431E-05    0.107407E+03  0.646541E-07 0.100000E-04    0.997787E+00
  72   -0.729957E-04    0.104570E+03  0.698054E-06 0.100000E-04    0.994862E+00
  73   -0.300888E-04    0.103070E+03  0.291926E-06 0.100000E-04    0.998941E+00
  74    0.254477E-04    0.997071E+02 -0.255225E-06 0.100000E-04    0.997657E+00
  75    0.829214E-04    0.957695E+02 -0.865844E-06 0.100000E-04    0.998948E+00
  76    0.298125E-04    0.939758E+02 -0.317236E-06 0.100000E-04    0.981999E+00
  77   -0.401756E-04    0.937040E+02  0.428750E-06 0.100000E-04    0.991703E+00
  78   -0.113452E-04    0.907662E+02  0.124994E-06 0.100000E-04    0.998727E+00
  79   -0.754373E-05    0.893392E+02  0.844392E-07 0.100000E-04    0.994732E+00
  80   -0.217936E-04    0.851915E+02  0.255819E-06 0.100000E-04    0.996446E+00
  81   -0.260518E-04    0.808909E+02  0.322061E-06 0.100000E-04    0.998130E+00
  82   -0.123700E-04    0.799643E+02  0.154694E-06 0.100000E-04    0.999068E+00
  83    0.153993E-04    0.782113E+02 -0.196893E-06 0.100000E-04    0.988938E+00
  84    0.529796E-04    0.729579E+02 -0.726167E-06 0.100000E-04    0.991302E+00
  85   -0.355607E-04    0.725252E+02  0.490322E-06 0.100000E-04    0.997176E+00
  86    0.156200E-04    0.682298E+02 -0.228932E-06 0.100000E-04    0.985992E+00
  87   -0.450274E-04    0.657622E+02  0.684701E-06 0.100000E-04    0.996729E+00
  88    0.115989E-04    0.628126E+02 -0.184660E-06 0.100000E-04    0.989129E+00
  89   -0.983862E-05    0.599403E+02  0.164140E-06 0.100000E-04    0.950030E+00
  90    0.624155E-04    0.594947E+02 -0.104909E-05 0.100000E-04    0.999914E+00
  91   -0.333937E-04    0.589957E+02  0.566036E-06 0.100000E-04    0.971800E+00
  92   -0.617647E-04    0.560479E+02  0.110200E-05 0.100000E-04    0.995959E+00
  93    0.593463E-05    0.526062E+02 -0.112812E-06 0.100000E-04    0.947529E+00
  94   -0.563547E-04    0.523193E+02  0.107713E-05 0.100000E-04    0.995435E+00
  95   -0.146710E-04    0.500186E+02  0.293312E-06 0.100000E-04    0.985233E+00
  96    0.151569E-05    0.471740E+02 -0.321298E-07 0.100000E-04    0.720973E+00
  97    0.434906E-04    0.428915E+02 -0.101397E-05 0.100000E-04    0.986901E+00
  98    0.535794E-04    0.405698E+02 -0.132067E-05 0.100000E-04    0.993737E+00
  99   -0.123655E-03    0.376921E+02  0.328066E-05 0.100000E-04    0.995846E+00
 100    0.852685E-04    0.363426E+02 -0.234624E-05 0.100000E-04    0.997888E+00
 101    0.269706E-04    0.337785E+02 -0.798453E-06 0.100000E-04    0.972231E+00
 102   -0.106794E-03    0.287912E+02  0.370925E-05 0.100000E-04    0.995463E+00
 103   -0.401222E-04    0.285649E+02  0.140460E-05 0.100000E-04    0.996422E+00
 104   -0.119533E-03    0.269528E+02  0.443491E-05 0.100000E-04    0.990636E+00
 105   -0.676175E-04    0.231219E+02  0.292440E-05 0.100000E-04    0.995953E+00
 106    0.519208E-04    0.209980E+02 -0.247266E-05 0.100000E-04    0.948777E+00
 107    0.716701E-04    0.206205E+02 -0.347568E-05 0.100000E-04    0.963859E+00
 108   -0.103973E-04    0.167607E+02  0.620338E-06 0.100000E-04    0.847375E+00
 109   -0.704415E-04    0.138235E+02  0.509576E-05 0.100000E-04    0.997721E+00
 110    0.109787E-01    0.122386E+02 -0.100000E-04 0.100000E-04    0.454045E+00
 111    0.134097E-02    0.999135E+01 -0.100000E-04 0.100000E-04    0.643424E+00
 112   -0.129412E-01    0.859133E+01  0.142962E-04 0.142962E-04    0.232822E+00
 113   -0.294311E-01    0.660969E+01  0.294077E-04 0.294077E-04    0.123215E+00
 114   -0.764936E+00    0.386554E+01 -0.400000E-03 0.400000E-03    0.120978E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1906902558    

 Beginning of optimization cycle  400.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3365937263
 potential> RMS force:                                               0.0718570087   |gradient|=.7672229053    
 Eigenvalues of the Hessian matrix:
   737.93146    674.14706    627.86264    603.37022    587.57448    574.49476 
   567.08564    484.79055    463.38915    460.85237    441.54605    429.17811 
   422.05072    408.41328    397.03126    388.64957    368.52028    361.15458 
   350.31012    335.21939    326.98385    321.52147    320.06152    311.18754 
   302.93810    289.28149    278.46630    271.21898    267.46939    264.62182 
   260.81260    253.90760    241.94978    239.17069    234.24312    228.13196 
   218.70589    214.29593    212.76477    207.16543    203.54565    196.93908 
   195.02126    191.41048    183.59300    174.40668    172.19496    167.67485 
   164.45547    158.22438    154.31878    151.73963    148.01551    143.41945 
   137.35132    135.93344    130.56118    128.37294    126.35891    125.27216 
   119.85738    118.12321    117.10032    110.65464    107.40151    104.56766 
   103.06914     99.70626     95.77032     93.96004     93.71346     90.76996 
    89.33305     85.19448     80.89043     79.96659     78.21004     72.96117 
    72.52928     68.22864     65.75183     62.80429     59.94091     59.49032 
    58.99196     56.04761     52.60447     52.31915     50.01819     47.16766 
    42.89267     40.57253     37.69554     36.34454     33.76595     28.79097 
    28.56356     26.94516     23.12398     20.99580     20.61948     16.75946 
    13.82410     12.23855      9.99273      8.58831      6.60107      3.85991 
overlap for current and previous eigenvector    109 is         0.9999997763
overlap for current and previous eigenvector    110 is         0.9999996419
overlap for current and previous eigenvector    111 is         0.9999996769
overlap for current and previous eigenvector    112 is        -0.9999975462
overlap for current and previous eigenvector    113 is         0.9999975689
overlap for current and previous eigenvector    114 is         0.9999996968
J1,K1,R1,R2,RAT=   7   7   -0.4553122907E-02     2.004376193        0.9954468771    
FOB,PFOB,DIAG,PSTEP=   -0.6517886690E-05   -0.6488341859E-05     737.9314595        0.8793385642E-08
J1,K1,R1,R2,RAT=   8   8   -0.9736459681E-02     2.009715695        0.9902635403    
FOB,PFOB,DIAG,PSTEP=   -0.6333597490E-05   -0.6272524672E-05     674.1470581        0.9304482935E-08
J1,K1,R1,R2,RAT=   9   9   -0.2079056998E-01     2.020746802        0.9792094300    
FOB,PFOB,DIAG,PSTEP=   -0.1470038039E-05   -0.1440096947E-05     627.8626355        0.2293699899E-08
J1,K1,R1,R2,RAT=  10  10    0.1427849901E-01     1.985768555        0.9857215010    
FOB,PFOB,DIAG,PSTEP=    0.2540003053E-05    0.2576794951E-05     603.3702196       -0.4270569286E-08
J1,K1,R1,R2,RAT=  11  11   -0.4883966400E-02     2.004916526        0.9951160336    
FOB,PFOB,DIAG,PSTEP=   -0.1826488174E-05   -0.1817611167E-05     587.5744839        0.3093363695E-08
J1,K1,R1,R2,RAT= 109 109    0.3723984182E-02     1.996194899        0.9961948989    
FOB,PFOB,DIAG,PSTEP=   -0.7017916812E-04   -0.7044150180E-04     13.82410026        0.5095764469E-05
J1,K1,R1,R2,RAT= 110 110   -0.5298383484         179.9419311        0.4701616516    
FOB,PFOB,DIAG,PSTEP=    0.1104356261E-01    0.1097871809E-01     12.23854861       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3617877677         26.47705973        0.6382122323    
FOB,PFOB,DIAG,PSTEP=    0.1304814490E-02    0.1340966969E-02     9.992731390       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     211.7864354       -0.9826626320        0.1733736804E-01
FOB,PFOB,DIAG,PSTEP=    0.1306188346E-01   -0.1294123225E-01     8.588312244        0.1429616072E-04
J1,K1,R1,R2,RAT= 113 113   -0.7724879593         303.9942594        0.2275120407    
FOB,PFOB,DIAG,PSTEP=   -0.2958104570E-01   -0.2943108839E-01     6.601071498        0.2940772993E-04
J1,K1,R1,R2,RAT= 114 114    0.9875942948        -991.8607139        0.1240570517E-01
FOB,PFOB,DIAG,PSTEP=   -0.7664603968       -0.7649355881         3.859906848       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
    -0.00002      0.00001     -0.00001     -0.00003      0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00003     -0.00001     -0.00007 
    -0.00003      0.00003      0.00008     -0.00003     -0.00004     -0.00001 
    -0.00001     -0.00002     -0.00003     -0.00001      0.00002      0.00005 
    -0.00004      0.00002     -0.00005      0.00001     -0.00001      0.00006 
    -0.00003     -0.00006     -0.00001      0.00006     -0.00001     -0.00000 
    -0.00004      0.00005      0.00012      0.00009      0.00003     -0.00011 
    -0.00004     -0.00012     -0.00007      0.00005      0.00007      0.00001 
    -0.00007      0.01104      0.00130      0.01306     -0.02958     -0.76646 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4129382843
 Log product of positive Hessian eigenvalues =          519.5327906841
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8599068485
 Unscaled step for mode    7=        0.0000000088
 Unscaled step for mode    8=        0.0000000094
 Unscaled step for mode    9=        0.0000000023
 Unscaled step for mode   10=       -0.0000000042
 Unscaled step for mode   11=        0.0000000031
 Unscaled step for mode   12=        0.0000000095
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000035
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000156
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000445
 Unscaled step for mode   20=       -0.0000000137
 Unscaled step for mode   21=       -0.0000000148
 Unscaled step for mode   22=        0.0000000264
 Unscaled step for mode   23=       -0.0000000040
 Unscaled step for mode   24=        0.0000000125
 Unscaled step for mode   25=        0.0000000652
 Unscaled step for mode   26=        0.0000001066
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000409
 Unscaled step for mode   29=       -0.0000000749
 Unscaled step for mode   30=        0.0000000795
 Unscaled step for mode   31=        0.0000000678
 Unscaled step for mode   32=        0.0000000318
 Unscaled step for mode   33=       -0.0000000511
 Unscaled step for mode   34=       -0.0000000569
 Unscaled step for mode   35=       -0.0000000927
 Unscaled step for mode   36=       -0.0000000834
 Unscaled step for mode   37=        0.0000000799
 Unscaled step for mode   38=       -0.0000000112
 Unscaled step for mode   39=        0.0000000885
 Unscaled step for mode   40=        0.0000000955
 Unscaled step for mode   41=        0.0000001945
 Unscaled step for mode   42=        0.0000000758
 Unscaled step for mode   43=        0.0000000877
 Unscaled step for mode   44=        0.0000001620
 Unscaled step for mode   45=       -0.0000000107
 Unscaled step for mode   46=       -0.0000001522
 Unscaled step for mode   47=        0.0000001415
 Unscaled step for mode   48=       -0.0000000330
 Unscaled step for mode   49=       -0.0000001507
 Unscaled step for mode   50=       -0.0000000437
 Unscaled step for mode   51=        0.0000000990
 Unscaled step for mode   52=       -0.0000000343
 Unscaled step for mode   53=        0.0000000859
 Unscaled step for mode   54=        0.0000001325
 Unscaled step for mode   55=        0.0000001339
 Unscaled step for mode   56=       -0.0000000404
 Unscaled step for mode   57=        0.0000000907
 Unscaled step for mode   58=        0.0000001752
 Unscaled step for mode   59=       -0.0000000330
 Unscaled step for mode   60=        0.0000001727
 Unscaled step for mode   61=        0.0000002487
 Unscaled step for mode   62=        0.0000001888
 Unscaled step for mode   63=       -0.0000001567
 Unscaled step for mode   64=        0.0000002802
 Unscaled step for mode   65=        0.0000001909
 Unscaled step for mode   66=       -0.0000001088
 Unscaled step for mode   67=        0.0000001014
 Unscaled step for mode   68=       -0.0000000777
 Unscaled step for mode   69=        0.0000000643
 Unscaled step for mode   70=        0.0000002783
 Unscaled step for mode   71=        0.0000000648
 Unscaled step for mode   72=        0.0000006988
 Unscaled step for mode   73=        0.0000002919
 Unscaled step for mode   74=       -0.0000002535
 Unscaled step for mode   75=       -0.0000008665
 Unscaled step for mode   76=        0.0000003213
 Unscaled step for mode   77=        0.0000004235
 Unscaled step for mode   78=        0.0000001284
 Unscaled step for mode   79=        0.0000000834
 Unscaled step for mode   80=        0.0000002564
 Unscaled step for mode   81=        0.0000003228
 Unscaled step for mode   82=        0.0000001581
 Unscaled step for mode   83=       -0.0000001989
 Unscaled step for mode   84=       -0.0000007259
 Unscaled step for mode   85=        0.0000004839
 Unscaled step for mode   86=       -0.0000002308
 Unscaled step for mode   87=        0.0000006850
 Unscaled step for mode   88=       -0.0000001849
 Unscaled step for mode   89=        0.0000001639
 Unscaled step for mode   90=       -0.0000010442
 Unscaled step for mode   91=        0.0000005745
 Unscaled step for mode   92=        0.0000011055
 Unscaled step for mode   93=        0.0000001024
 Unscaled step for mode   94=       -0.0000010753
 Unscaled step for mode   95=        0.0000002842
 Unscaled step for mode   96=        0.0000000337
 Unscaled step for mode   97=        0.0000010047
 Unscaled step for mode   98=       -0.0000013204
 Unscaled step for mode   99=       -0.0000032673
 Unscaled step for mode  100=       -0.0000023448
 Unscaled step for mode  101=       -0.0000007860
 Unscaled step for mode  102=        0.0000037034
 Unscaled step for mode  103=        0.0000014139
 Unscaled step for mode  104=        0.0000044286
 Unscaled step for mode  105=        0.0000029354
 Unscaled step for mode  106=       -0.0000024716
 Unscaled step for mode  107=       -0.0000034981
 Unscaled step for mode  108=       -0.0000005806
 Unscaled step for mode  109=        0.0000050766
 Unscaled step for mode  110=       -0.0009023581
 Unscaled step for mode  111=       -0.0001305764
 Unscaled step for mode  112=       -0.0015208871
 Unscaled step for mode  113=        0.0044811591
 Unscaled step for mode  114=       -0.1913026654
 Largest modulus ratio of non-zero e/values=           191.1785669    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.607153E-16    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.928185E-15    0.100693E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.596311E-18    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.758508E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.354341E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.482118E-15    0.974013E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.651789E-05    0.737931E+03  0.883265E-08 0.100000E-04    0.995447E+00
   8   -0.633360E-05    0.674147E+03  0.939498E-08 0.100000E-04    0.990264E+00
   9   -0.147004E-05    0.627863E+03  0.234134E-08 0.100000E-04    0.979209E+00
  10    0.254000E-05    0.603370E+03 -0.420969E-08 0.100000E-04    0.985722E+00
  11   -0.182649E-05    0.587574E+03  0.310852E-08 0.100000E-04    0.995116E+00
  12   -0.545088E-05    0.574495E+03  0.948813E-08 0.100000E-04    0.983389E+00
  13   -0.362862E-05    0.567086E+03  0.639871E-08 0.100000E-04    0.990287E+00
  14    0.167953E-05    0.484791E+03 -0.346445E-08 0.100000E-04    0.953518E+00
  15    0.199858E-05    0.463389E+03 -0.431295E-08 0.100000E-04    0.983139E+00
  16    0.720740E-05    0.460852E+03 -0.156393E-07 0.100000E-04    0.998849E+00
  17    0.451493E-05    0.441546E+03 -0.102253E-07 0.100000E-04    0.990633E+00
  18    0.475109E-05    0.429178E+03 -0.110702E-07 0.100000E-04    0.998539E+00
  19   -0.187845E-04    0.422051E+03  0.445076E-07 0.100000E-04    0.999443E+00
  20    0.558750E-05    0.408413E+03 -0.136810E-07 0.100000E-04    0.991279E+00
  21    0.586740E-05    0.397031E+03 -0.147782E-07 0.100000E-04    0.992746E+00
  22   -0.102617E-04    0.388650E+03  0.264035E-07 0.100000E-04    0.998015E+00
  23    0.147504E-05    0.368520E+03 -0.400259E-08 0.100000E-04    0.960285E+00
  24   -0.451326E-05    0.361155E+03  0.124968E-07 0.100000E-04    0.991336E+00
  25   -0.228397E-04    0.350310E+03  0.651986E-07 0.100000E-04    0.998026E+00
  26   -0.357338E-04    0.335219E+03  0.106598E-06 0.100000E-04    0.999982E+00
  27   -0.176663E-04    0.326984E+03  0.540279E-07 0.100000E-04    0.998578E+00
  28    0.131476E-04    0.321521E+03 -0.408918E-07 0.100000E-04    0.996007E+00
  29    0.239769E-04    0.320062E+03 -0.749135E-07 0.100000E-04    0.993984E+00
  30   -0.247423E-04    0.311188E+03  0.795093E-07 0.100000E-04    0.998272E+00
  31   -0.205245E-04    0.302938E+03  0.677514E-07 0.100000E-04    0.992642E+00
  32   -0.919210E-05    0.289281E+03  0.317756E-07 0.100000E-04    0.997168E+00
  33    0.142334E-04    0.278466E+03 -0.511134E-07 0.100000E-04    0.997549E+00
  34    0.154450E-04    0.271219E+03 -0.569467E-07 0.100000E-04    0.997487E+00
  35    0.248020E-04    0.267469E+03 -0.927285E-07 0.100000E-04    0.997357E+00
  36    0.220803E-04    0.264622E+03 -0.834410E-07 0.100000E-04    0.996804E+00
  37   -0.208276E-04    0.260813E+03  0.798566E-07 0.100000E-04    0.999090E+00
  38    0.284063E-05    0.253908E+03 -0.111877E-07 0.100000E-04    0.979092E+00
  39   -0.214013E-04    0.241950E+03  0.884536E-07 0.100000E-04    0.999691E+00
  40   -0.228438E-04    0.239171E+03  0.955124E-07 0.100000E-04    0.993399E+00
  41   -0.455629E-04    0.234243E+03  0.194511E-06 0.100000E-04    0.997664E+00
  42   -0.172934E-04    0.228132E+03  0.758044E-07 0.100000E-04    0.993395E+00
  43   -0.191834E-04    0.218706E+03  0.877133E-07 0.100000E-04    0.993666E+00
  44   -0.347108E-04    0.214296E+03  0.161976E-06 0.100000E-04    0.994047E+00
  45    0.228232E-05    0.212765E+03 -0.107270E-07 0.100000E-04    0.987293E+00
  46    0.315309E-04    0.207165E+03 -0.152202E-06 0.100000E-04    0.996320E+00
  47   -0.287962E-04    0.203546E+03  0.141473E-06 0.100000E-04    0.999973E+00
  48    0.650573E-05    0.196939E+03 -0.330342E-07 0.100000E-04    0.998735E+00
  49    0.293880E-04    0.195021E+03 -0.150691E-06 0.100000E-04    0.995008E+00
  50    0.835595E-05    0.191410E+03 -0.436546E-07 0.100000E-04    0.974000E+00
  51   -0.181801E-04    0.183593E+03  0.990238E-07 0.100000E-04    0.995907E+00
  52    0.598528E-05    0.174407E+03 -0.343180E-07 0.100000E-04    0.988680E+00
  53   -0.147834E-04    0.172195E+03  0.858530E-07 0.100000E-04    0.999215E+00
  54   -0.222203E-04    0.167675E+03  0.132520E-06 0.100000E-04    0.994543E+00
  55   -0.220190E-04    0.164455E+03  0.133890E-06 0.100000E-04    0.998665E+00
  56    0.639468E-05    0.158224E+03 -0.404153E-07 0.100000E-04    0.991492E+00
  57   -0.140005E-04    0.154319E+03  0.907243E-07 0.100000E-04    0.996792E+00
  58   -0.265788E-04    0.151740E+03  0.175161E-06 0.100000E-04    0.998793E+00
  59    0.488470E-05    0.148016E+03 -0.330013E-07 0.100000E-04    0.999140E+00
  60   -0.247667E-04    0.143419E+03  0.172687E-06 0.100000E-04    0.997514E+00
  61   -0.341539E-04    0.137351E+03  0.248661E-06 0.100000E-04    0.997802E+00
  62   -0.256581E-04    0.135933E+03  0.188755E-06 0.100000E-04    0.996406E+00
  63    0.204565E-04    0.130561E+03 -0.156681E-06 0.100000E-04    0.989122E+00
  64   -0.359673E-04    0.128373E+03  0.280178E-06 0.100000E-04    0.996274E+00
  65   -0.241172E-04    0.126359E+03  0.190863E-06 0.100000E-04    0.996876E+00
  66    0.136236E-04    0.125272E+03 -0.108752E-06 0.100000E-04    0.988283E+00
  67   -0.121479E-04    0.119857E+03  0.101353E-06 0.100000E-04    0.987732E+00
  68    0.917611E-05    0.118123E+03 -0.776825E-07 0.100000E-04    0.997950E+00
  69   -0.752631E-05    0.117100E+03  0.642723E-07 0.100000E-04    0.995525E+00
  70   -0.307900E-04    0.110655E+03  0.278253E-06 0.100000E-04    0.993329E+00
  71   -0.696219E-05    0.107402E+03  0.648239E-07 0.100000E-04    0.997426E+00
  72   -0.730703E-04    0.104568E+03  0.698785E-06 0.100000E-04    0.998977E+00
  73   -0.300889E-04    0.103069E+03  0.291929E-06 0.100000E-04    0.999998E+00
  74    0.252741E-04    0.997063E+02 -0.253485E-06 0.100000E-04    0.993176E+00
  75    0.829855E-04    0.957703E+02 -0.866505E-06 0.100000E-04    0.999227E+00
  76   -0.301905E-04    0.939600E+02  0.321313E-06 0.100000E-04    0.987318E+00
  77   -0.396906E-04    0.937135E+02  0.423532E-06 0.100000E-04    0.987728E+00
  78   -0.116535E-04    0.907700E+02  0.128385E-06 0.100000E-04    0.972829E+00
  79   -0.744601E-05    0.893330E+02  0.833511E-07 0.100000E-04    0.987045E+00
  80   -0.218457E-04    0.851945E+02  0.256421E-06 0.100000E-04    0.997611E+00
  81   -0.261118E-04    0.808904E+02  0.322805E-06 0.100000E-04    0.997698E+00
  82   -0.126413E-04    0.799666E+02  0.158082E-06 0.100000E-04    0.978069E+00
  83    0.155596E-04    0.782100E+02 -0.198947E-06 0.100000E-04    0.989587E+00
  84    0.529618E-04    0.729612E+02 -0.725891E-06 0.100000E-04    0.999574E+00
  85   -0.350948E-04    0.725293E+02  0.483871E-06 0.100000E-04    0.986786E+00
  86    0.157479E-04    0.682286E+02 -0.230811E-06 0.100000E-04    0.991809E+00
  87   -0.450420E-04    0.657518E+02  0.685030E-06 0.100000E-04    0.999677E+00
  88    0.116119E-04    0.628043E+02 -0.184889E-06 0.100000E-04    0.998887E+00
  89   -0.982424E-05    0.599409E+02  0.163899E-06 0.100000E-04    0.998518E+00
  90    0.621188E-04    0.594903E+02 -0.104418E-05 0.100000E-04    0.995246E+00
  91   -0.338923E-04    0.589920E+02  0.574525E-06 0.100000E-04    0.985066E+00
  92   -0.619596E-04    0.560476E+02  0.110548E-05 0.100000E-04    0.996845E+00
  93   -0.538558E-05    0.526045E+02  0.102379E-06 0.100000E-04    0.907481E+00
  94    0.562587E-04    0.523192E+02 -0.107530E-05 0.100000E-04    0.998296E+00
  95   -0.142134E-04    0.500182E+02  0.284165E-06 0.100000E-04    0.968808E+00
  96   -0.159030E-05    0.471677E+02  0.337159E-07 0.100000E-04    0.950771E+00
  97   -0.430963E-04    0.428927E+02  0.100475E-05 0.100000E-04    0.990878E+00
  98    0.535708E-04    0.405725E+02 -0.132037E-05 0.100000E-04    0.999701E+00
  99    0.123163E-03    0.376955E+02 -0.326731E-05 0.100000E-04    0.995840E+00
 100    0.852210E-04    0.363445E+02 -0.234481E-05 0.100000E-04    0.999335E+00
 101    0.265396E-04    0.337660E+02 -0.785988E-06 0.100000E-04    0.984015E+00
 102   -0.106625E-03    0.287910E+02  0.370341E-05 0.100000E-04    0.998417E+00
 103   -0.403863E-04    0.285636E+02  0.141391E-05 0.100000E-04    0.993418E+00
 104   -0.119329E-03    0.269452E+02  0.442858E-05 0.100000E-04    0.998289E+00
 105   -0.678781E-04    0.231240E+02  0.293540E-05 0.100000E-04    0.996146E+00
 106    0.518934E-04    0.209958E+02 -0.247161E-05 0.100000E-04    0.999472E+00
 107    0.721288E-04    0.206195E+02 -0.349809E-05 0.100000E-04    0.993601E+00
 108    0.972987E-05    0.167595E+02 -0.580560E-06 0.100000E-04    0.935805E+00
 109   -0.701792E-04    0.138241E+02  0.507658E-05 0.100000E-04    0.996195E+00
 110    0.110436E-01    0.122385E+02 -0.100000E-04 0.100000E-04    0.470162E+00
 111    0.130481E-02    0.999273E+01 -0.100000E-04 0.100000E-04    0.638212E+00
 112    0.130619E-01    0.858831E+01 -0.155828E-04 0.155828E-04    0.173374E-01
 113   -0.295810E-01    0.660107E+01  0.264935E-04 0.264935E-04    0.227512E+00
 114   -0.766460E+00    0.385991E+01 -0.400000E-03 0.400000E-03    0.124057E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1913026654    

 Beginning of optimization cycle  401.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3362879414
 potential> RMS force:                                               0.0720003294   |gradient|=.7687531506    
 Eigenvalues of the Hessian matrix:
   737.99665    674.15435    627.87633    603.35573    587.56513    574.53676 
   567.08463    484.81751    463.36592    460.84633    441.54896    429.17164 
   422.05260    408.41786    397.02625    388.64536    368.53053    361.14670 
   350.30232    335.21118    327.00071    321.52514    320.05200    311.17033 
   302.92137    289.29211    278.46268    271.22872    267.47699    264.62545 
   260.83303    253.90556    241.94502    239.18384    234.23316    228.12515 
   218.68525    214.30300    212.77162    207.16538    203.54403    196.92951 
   195.01746    191.40868    183.58356    174.39879    172.19877    167.67768 
   164.44630    158.21271    154.32363    151.74552    148.00562    143.42139 
   137.35554    135.93394    130.55983    128.37731    126.36316    125.26644 
   119.85885    118.12384    117.10104    110.64996    107.39603    104.56521 
   103.06808     99.70544     95.77128     93.94428     93.72282     90.77366 
    89.32691     85.19742     80.88993     79.96878     78.20883     72.96458 
    72.53345     68.22764     65.74163     62.79593     59.94154     59.48612 
    58.98820     56.04741     52.60285     52.31905     50.01777     47.16134 
    42.89384     40.57534     37.69900     36.34667     33.75343     28.79074 
    28.56225     26.93756     23.12606     20.99390     20.61823     16.75827 
    13.82466     12.23853      9.99410      8.58528      6.59245      3.85427 
overlap for current and previous eigenvector    109 is        -0.9999997800
overlap for current and previous eigenvector    110 is        -0.9999996463
overlap for current and previous eigenvector    111 is         0.9999996912
overlap for current and previous eigenvector    112 is         0.9999975893
overlap for current and previous eigenvector    113 is         0.9999976042
overlap for current and previous eigenvector    114 is         0.9999997051
J1,K1,R1,R2,RAT=   7   7   -0.6079045866E-02     2.005902367        0.9939209541    
FOB,PFOB,DIAG,PSTEP=   -0.6557512723E-05   -0.6517886690E-05     737.9966536        0.8832645100E-08
J1,K1,R1,R2,RAT=   8   8    0.4038572340E-02     1.995939799        0.9959397986    
FOB,PFOB,DIAG,PSTEP=   -0.6308018522E-05   -0.6333597490E-05     674.1543487        0.9394979054E-08
J1,K1,R1,R2,RAT=   9   9    0.4221520283E-02     1.995734853        0.9957348531    
FOB,PFOB,DIAG,PSTEP=   -0.1463832108E-05   -0.1470038039E-05     627.8763316        0.2341337031E-08
J1,K1,R1,R2,RAT=  10  10   -0.2439133302E-01     2.024439378        0.9756086670    
FOB,PFOB,DIAG,PSTEP=    0.2601955625E-05    0.2540003053E-05     603.3557256       -0.4209692441E-08
J1,K1,R1,R2,RAT=  11  11   -0.1107416959E-01     2.011106016        0.9889258304    
FOB,PFOB,DIAG,PSTEP=   -0.1846714692E-05   -0.1826488174E-05     587.5651281        0.3108521939E-08
J1,K1,R1,R2,RAT= 109 109     1.997718728        0.2199684007E-02    0.9977187282    
FOB,PFOB,DIAG,PSTEP=    0.7002478983E-04   -0.7017916812E-04     13.82466422        0.5076581246E-05
J1,K1,R1,R2,RAT= 110 110     181.0212243       -0.5492159194        0.4507840806    
FOB,PFOB,DIAG,PSTEP=   -0.1111077858E-01    0.1104356261E-01     12.23853240       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3614214912         25.75026890        0.6385785088    
FOB,PFOB,DIAG,PSTEP=    0.1268693657E-02    0.1304814490E-02     9.994102030       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7926131580         196.0626473        0.2073868420    
FOB,PFOB,DIAG,PSTEP=    0.1316792144E-01    0.1306188346E-01     8.585276329       -0.1558281519E-04
J1,K1,R1,R2,RAT= 113 113   -0.9005567531         339.6341346        0.9944324693E-01
FOB,PFOB,DIAG,PSTEP=   -0.2973833398E-01   -0.2958104570E-01     6.592448506        0.2649345039E-04
J1,K1,R1,R2,RAT= 114 114    0.9878461368        -995.2884637        0.1215386322E-01
FOB,PFOB,DIAG,PSTEP=   -0.7679833667       -0.7664603968         3.854268937       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
    -0.00002      0.00001     -0.00001     -0.00003      0.00000     -0.00002 
    -0.00003     -0.00003      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00003     -0.00001      0.00007 
     0.00003      0.00003      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00003      0.00001     -0.00002     -0.00005 
    -0.00004      0.00002      0.00005     -0.00001      0.00001     -0.00006 
     0.00003      0.00006     -0.00001      0.00006     -0.00001     -0.00000 
    -0.00004     -0.00005     -0.00012     -0.00009     -0.00003     -0.00011 
    -0.00004     -0.00012     -0.00007      0.00005      0.00007      0.00001 
     0.00007     -0.01111      0.00127      0.01317     -0.02974     -0.76798 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4127181549
 Log product of positive Hessian eigenvalues =          519.5285001923
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8542689368
 Unscaled step for mode    7=        0.0000000089
 Unscaled step for mode    8=        0.0000000094
 Unscaled step for mode    9=        0.0000000023
 Unscaled step for mode   10=       -0.0000000043
 Unscaled step for mode   11=        0.0000000031
 Unscaled step for mode   12=        0.0000000094
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000035
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000157
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000447
 Unscaled step for mode   20=       -0.0000000137
 Unscaled step for mode   21=       -0.0000000148
 Unscaled step for mode   22=        0.0000000265
 Unscaled step for mode   23=       -0.0000000038
 Unscaled step for mode   24=        0.0000000126
 Unscaled step for mode   25=        0.0000000653
 Unscaled step for mode   26=        0.0000001068
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000408
 Unscaled step for mode   29=       -0.0000000757
 Unscaled step for mode   30=        0.0000000791
 Unscaled step for mode   31=        0.0000000678
 Unscaled step for mode   32=        0.0000000319
 Unscaled step for mode   33=       -0.0000000515
 Unscaled step for mode   34=       -0.0000000574
 Unscaled step for mode   35=       -0.0000000925
 Unscaled step for mode   36=       -0.0000000835
 Unscaled step for mode   37=        0.0000000800
 Unscaled step for mode   38=       -0.0000000114
 Unscaled step for mode   39=        0.0000000887
 Unscaled step for mode   40=        0.0000000962
 Unscaled step for mode   41=        0.0000001947
 Unscaled step for mode   42=        0.0000000758
 Unscaled step for mode   43=        0.0000000876
 Unscaled step for mode   44=        0.0000001622
 Unscaled step for mode   45=       -0.0000000114
 Unscaled step for mode   46=       -0.0000001525
 Unscaled step for mode   47=        0.0000001410
 Unscaled step for mode   48=       -0.0000000334
 Unscaled step for mode   49=       -0.0000001505
 Unscaled step for mode   50=       -0.0000000449
 Unscaled step for mode   51=        0.0000000989
 Unscaled step for mode   52=       -0.0000000345
 Unscaled step for mode   53=        0.0000000862
 Unscaled step for mode   54=        0.0000001326
 Unscaled step for mode   55=        0.0000001340
 Unscaled step for mode   56=       -0.0000000406
 Unscaled step for mode   57=        0.0000000914
 Unscaled step for mode   58=        0.0000001753
 Unscaled step for mode   59=       -0.0000000336
 Unscaled step for mode   60=        0.0000001728
 Unscaled step for mode   61=        0.0000002507
 Unscaled step for mode   62=        0.0000001884
 Unscaled step for mode   63=       -0.0000001578
 Unscaled step for mode   64=        0.0000002814
 Unscaled step for mode   65=        0.0000001924
 Unscaled step for mode   66=       -0.0000001086
 Unscaled step for mode   67=        0.0000001011
 Unscaled step for mode   68=       -0.0000000779
 Unscaled step for mode   69=        0.0000000652
 Unscaled step for mode   70=        0.0000002771
 Unscaled step for mode   71=        0.0000000647
 Unscaled step for mode   72=       -0.0000007024
 Unscaled step for mode   73=       -0.0000002922
 Unscaled step for mode   74=       -0.0000002540
 Unscaled step for mode   75=       -0.0000008674
 Unscaled step for mode   76=       -0.0000003271
 Unscaled step for mode   77=        0.0000004197
 Unscaled step for mode   78=        0.0000001283
 Unscaled step for mode   79=        0.0000000838
 Unscaled step for mode   80=        0.0000002555
 Unscaled step for mode   81=       -0.0000003234
 Unscaled step for mode   82=       -0.0000001580
 Unscaled step for mode   83=        0.0000001968
 Unscaled step for mode   84=        0.0000007321
 Unscaled step for mode   85=        0.0000004851
 Unscaled step for mode   86=       -0.0000002340
 Unscaled step for mode   87=       -0.0000006874
 Unscaled step for mode   88=        0.0000001869
 Unscaled step for mode   89=       -0.0000001558
 Unscaled step for mode   90=        0.0000010437
 Unscaled step for mode   91=       -0.0000005902
 Unscaled step for mode   92=       -0.0000011010
 Unscaled step for mode   93=        0.0000000960
 Unscaled step for mode   94=       -0.0000010800
 Unscaled step for mode   95=        0.0000002883
 Unscaled step for mode   96=        0.0000000408
 Unscaled step for mode   97=        0.0000010177
 Unscaled step for mode   98=        0.0000013284
 Unscaled step for mode   99=        0.0000032803
 Unscaled step for mode  100=        0.0000023401
 Unscaled step for mode  101=        0.0000008081
 Unscaled step for mode  102=        0.0000037201
 Unscaled step for mode  103=        0.0000014190
 Unscaled step for mode  104=        0.0000044709
 Unscaled step for mode  105=        0.0000029475
 Unscaled step for mode  106=       -0.0000025886
 Unscaled step for mode  107=       -0.0000033633
 Unscaled step for mode  108=       -0.0000006629
 Unscaled step for mode  109=       -0.0000050652
 Unscaled step for mode  110=        0.0009078515
 Unscaled step for mode  111=       -0.0001269442
 Unscaled step for mode  112=       -0.0015337760
 Unscaled step for mode  113=        0.0045108777
 Unscaled step for mode  114=       -0.1919163175
 Largest modulus ratio of non-zero e/values=           191.4751320    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.504805E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.155485E-14    0.100693E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.254116E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.142030E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.736824E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.111822E-15    0.974015E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.655751E-05    0.737997E+03  0.888556E-08 0.100000E-04    0.993921E+00
   8   -0.630802E-05    0.674154E+03  0.935694E-08 0.100000E-04    0.995940E+00
   9   -0.146383E-05    0.627876E+03  0.233140E-08 0.100000E-04    0.995735E+00
  10    0.260196E-05    0.603356E+03 -0.431247E-08 0.100000E-04    0.975609E+00
  11   -0.184671E-05    0.587565E+03  0.314300E-08 0.100000E-04    0.988926E+00
  12   -0.542601E-05    0.574537E+03  0.944415E-08 0.100000E-04    0.995292E+00
  13   -0.359996E-05    0.567085E+03  0.634819E-08 0.100000E-04    0.992103E+00
  14    0.168914E-05    0.484818E+03 -0.348408E-08 0.100000E-04    0.994277E+00
  15    0.198968E-05    0.463366E+03 -0.429397E-08 0.100000E-04    0.995548E+00
  16    0.725081E-05    0.460846E+03 -0.157337E-07 0.100000E-04    0.993976E+00
  17    0.456894E-05    0.441549E+03 -0.103475E-07 0.100000E-04    0.988037E+00
  18    0.475807E-05    0.429172E+03 -0.110866E-07 0.100000E-04    0.998531E+00
  19   -0.188552E-04    0.422053E+03  0.446750E-07 0.100000E-04    0.996235E+00
  20    0.559641E-05    0.408418E+03 -0.137027E-07 0.100000E-04    0.998404E+00
  21    0.587846E-05    0.397026E+03 -0.148062E-07 0.100000E-04    0.998114E+00
  22   -0.103062E-04    0.388645E+03  0.265182E-07 0.100000E-04    0.995665E+00
  23    0.141364E-05    0.368531E+03 -0.383587E-08 0.100000E-04    0.958320E+00
  24   -0.454485E-05    0.361147E+03  0.125845E-07 0.100000E-04    0.993001E+00
  25   -0.228870E-04    0.350302E+03  0.653349E-07 0.100000E-04    0.997932E+00
  26   -0.358035E-04    0.335211E+03  0.106809E-06 0.100000E-04    0.998049E+00
  27   -0.176723E-04    0.327001E+03  0.540436E-07 0.100000E-04    0.999659E+00
  28    0.131237E-04    0.321525E+03 -0.408170E-07 0.100000E-04    0.998160E+00
  29    0.242288E-04    0.320052E+03 -0.757026E-07 0.100000E-04    0.989496E+00
  30   -0.246277E-04    0.311170E+03  0.791454E-07 0.100000E-04    0.995369E+00
  31   -0.205262E-04    0.302921E+03  0.677608E-07 0.100000E-04    0.999916E+00
  32   -0.922846E-05    0.289292E+03  0.319001E-07 0.100000E-04    0.996045E+00
  33    0.143346E-04    0.278463E+03 -0.514777E-07 0.100000E-04    0.992885E+00
  34    0.155622E-04    0.271229E+03 -0.573766E-07 0.100000E-04    0.992415E+00
  35    0.247399E-04    0.267477E+03 -0.924935E-07 0.100000E-04    0.997437E+00
  36    0.220841E-04    0.264625E+03 -0.834542E-07 0.100000E-04    0.999828E+00
  37   -0.208699E-04    0.260833E+03  0.800126E-07 0.100000E-04    0.997968E+00
  38    0.289490E-05    0.253906E+03 -0.114015E-07 0.100000E-04    0.980898E+00
  39   -0.214569E-04    0.241945E+03  0.886850E-07 0.100000E-04    0.997404E+00
  40   -0.230000E-04    0.239184E+03  0.961605E-07 0.100000E-04    0.993160E+00
  41   -0.456019E-04    0.234233E+03  0.194686E-06 0.100000E-04    0.999144E+00
  42   -0.172995E-04    0.228125E+03  0.758334E-07 0.100000E-04    0.999647E+00
  43   -0.191584E-04    0.218685E+03  0.876073E-07 0.100000E-04    0.998697E+00
  44   -0.347583E-04    0.214303E+03  0.162192E-06 0.100000E-04    0.998633E+00
  45    0.242986E-05    0.212772E+03 -0.114200E-07 0.100000E-04    0.935359E+00
  46    0.315958E-04    0.207165E+03 -0.152515E-06 0.100000E-04    0.997941E+00
  47   -0.286935E-04    0.203544E+03  0.140969E-06 0.100000E-04    0.996430E+00
  48    0.657527E-05    0.196930E+03 -0.333889E-07 0.100000E-04    0.989311E+00
  49    0.293458E-04    0.195017E+03 -0.150478E-06 0.100000E-04    0.998566E+00
  50    0.859811E-05    0.191409E+03 -0.449202E-07 0.100000E-04    0.971019E+00
  51   -0.181549E-04    0.183584E+03  0.988920E-07 0.100000E-04    0.998618E+00
  52    0.602014E-05    0.174399E+03 -0.345194E-07 0.100000E-04    0.994176E+00
  53   -0.148385E-04    0.172199E+03  0.861710E-07 0.100000E-04    0.996273E+00
  54   -0.222361E-04    0.167678E+03  0.132612E-06 0.100000E-04    0.999288E+00
  55   -0.220348E-04    0.164446E+03  0.133994E-06 0.100000E-04    0.999283E+00
  56    0.642814E-05    0.158213E+03 -0.406297E-07 0.100000E-04    0.994767E+00
  57   -0.141013E-04    0.154324E+03  0.913752E-07 0.100000E-04    0.992794E+00
  58   -0.265983E-04    0.151746E+03  0.175282E-06 0.100000E-04    0.999266E+00
  59    0.497289E-05    0.148006E+03 -0.335994E-07 0.100000E-04    0.981944E+00
  60   -0.247808E-04    0.143421E+03  0.172783E-06 0.100000E-04    0.999434E+00
  61   -0.344338E-04    0.137356E+03  0.250691E-06 0.100000E-04    0.991806E+00
  62   -0.256114E-04    0.135934E+03  0.188411E-06 0.100000E-04    0.998172E+00
  63    0.206058E-04    0.130560E+03 -0.157826E-06 0.100000E-04    0.992703E+00
  64   -0.361278E-04    0.128377E+03  0.281419E-06 0.100000E-04    0.995536E+00
  65   -0.243065E-04    0.126363E+03  0.192354E-06 0.100000E-04    0.992152E+00
  66    0.136040E-04    0.125266E+03 -0.108601E-06 0.100000E-04    0.998561E+00
  67   -0.121138E-04    0.119859E+03  0.101067E-06 0.100000E-04    0.997172E+00
  68    0.919749E-05    0.118124E+03 -0.778631E-07 0.100000E-04    0.997670E+00
  69   -0.762926E-05    0.117101E+03  0.651511E-07 0.100000E-04    0.986321E+00
  70   -0.306644E-04    0.110650E+03  0.277130E-06 0.100000E-04    0.995920E+00
  71   -0.694694E-05    0.107396E+03  0.646853E-07 0.100000E-04    0.997810E+00
  72    0.734414E-04    0.104565E+03 -0.702351E-06 0.100000E-04    0.994921E+00
  73    0.301200E-04    0.103068E+03 -0.292234E-06 0.100000E-04    0.998965E+00
  74    0.253295E-04    0.997054E+02 -0.254043E-06 0.100000E-04    0.997807E+00
  75    0.830709E-04    0.957713E+02 -0.867388E-06 0.100000E-04    0.998971E+00
  76    0.307329E-04    0.939443E+02 -0.327140E-06 0.100000E-04    0.982033E+00
  77   -0.393348E-04    0.937228E+02  0.419692E-06 0.100000E-04    0.990835E+00
  78   -0.116428E-04    0.907737E+02  0.128262E-06 0.100000E-04    0.998999E+00
  79   -0.748334E-05    0.893269E+02  0.837748E-07 0.100000E-04    0.994985E+00
  80   -0.217691E-04    0.851974E+02  0.255513E-06 0.100000E-04    0.996425E+00
  81    0.261592E-04    0.808899E+02 -0.323393E-06 0.100000E-04    0.998184E+00
  82    0.126313E-04    0.799688E+02 -0.157952E-06 0.100000E-04    0.999151E+00
  83   -0.153892E-04    0.782088E+02  0.196771E-06 0.100000E-04    0.989050E+00
  84   -0.534172E-04    0.729646E+02  0.732097E-06 0.100000E-04    0.991403E+00
  85   -0.351838E-04    0.725334E+02  0.485070E-06 0.100000E-04    0.997463E+00
  86    0.159627E-04    0.682276E+02 -0.233962E-06 0.100000E-04    0.986359E+00
  87    0.451939E-04    0.657416E+02 -0.687448E-06 0.100000E-04    0.996626E+00
  88   -0.117360E-04    0.627959E+02  0.186892E-06 0.100000E-04    0.989303E+00
  89    0.933618E-05    0.599415E+02 -0.155755E-06 0.100000E-04    0.950301E+00
  90   -0.620846E-04    0.594861E+02  0.104368E-05 0.100000E-04    0.999449E+00
  91    0.348162E-04    0.589882E+02 -0.590222E-06 0.100000E-04    0.972741E+00
  92    0.617082E-04    0.560474E+02 -0.110100E-05 0.100000E-04    0.995944E+00
  93   -0.504866E-05    0.526029E+02  0.959770E-07 0.100000E-04    0.937438E+00
  94    0.565040E-04    0.523190E+02 -0.107999E-05 0.100000E-04    0.995641E+00
  95   -0.144220E-04    0.500178E+02  0.288337E-06 0.100000E-04    0.985326E+00
  96   -0.192620E-05    0.471613E+02  0.408427E-07 0.100000E-04    0.788756E+00
  97   -0.436532E-04    0.428938E+02  0.101770E-05 0.100000E-04    0.987077E+00
  98   -0.538989E-04    0.405753E+02  0.132837E-05 0.100000E-04    0.993875E+00
  99   -0.123663E-03    0.376990E+02  0.328028E-05 0.100000E-04    0.995940E+00
 100   -0.850560E-04    0.363467E+02  0.234013E-05 0.100000E-04    0.997946E+00
 101   -0.272748E-04    0.337534E+02  0.808062E-06 0.100000E-04    0.972287E+00
 102   -0.107104E-03    0.287907E+02  0.372008E-05 0.100000E-04    0.995507E+00
 103   -0.405296E-04    0.285623E+02  0.141899E-05 0.100000E-04    0.996452E+00
 104   -0.120436E-03    0.269376E+02  0.447094E-05 0.100000E-04    0.990717E+00
 105   -0.681639E-04    0.231261E+02  0.294750E-05 0.100000E-04    0.995790E+00
 106    0.543450E-04    0.209939E+02 -0.258861E-05 0.100000E-04    0.952753E+00
 107    0.693460E-04    0.206182E+02 -0.336334E-05 0.100000E-04    0.961418E+00
 108    0.111095E-04    0.167583E+02 -0.662927E-06 0.100000E-04    0.858197E+00
 109    0.700248E-04    0.138247E+02 -0.506521E-05 0.100000E-04    0.997719E+00
 110   -0.111108E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.450784E+00
 111    0.126869E-02    0.999410E+01 -0.100000E-04 0.100000E-04    0.638579E+00
 112    0.131679E-01    0.858528E+01 -0.140386E-04 0.140386E-04    0.207387E+00
 113   -0.297383E-01    0.659245E+01  0.288779E-04 0.288779E-04    0.994432E-01
 114   -0.767983E+00    0.385427E+01 -0.400000E-03 0.400000E-03    0.121539E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1919163175    

 Beginning of optimization cycle  402.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3359816043
 potential> RMS force:                                               0.0721433996   |gradient|=.7702807226    
 Eigenvalues of the Hessian matrix:
   738.06194    674.16135    627.89004    603.34141    587.55563    574.57895 
   567.08342    484.84438    463.34269    460.84031    441.55188    429.16539 
   422.05454    408.42243    397.02125    388.64119    368.54084    361.13887 
   350.29471    335.20321    327.01767    321.52880    320.04249    311.15326 
   302.90468    289.30279    278.45915    271.23864    267.48468    264.62907 
   260.85384    253.90354    241.94037    239.19708    234.22334    228.11842 
   218.66459    214.31012    212.77851    207.16544    203.54237    196.91991 
   195.01374    191.40685    183.57419    174.39097    172.20254    167.68061 
   164.43707    158.20098    154.32851    151.75140    147.99565    143.42326 
   137.35983    135.93443    130.55841    128.38171    126.36741    125.26063 
   119.86030    118.12444    117.10168    110.64527    107.39051    104.56269 
   103.06697     99.70460     95.77228     93.92845     93.73210     90.77738 
    89.32072     85.20037     80.88942     79.97103     78.20758     72.96795 
    72.53753     68.22651     65.73145     62.78745     59.94218     59.48192 
    58.98426     56.04714     52.60121     52.31889     50.01735     47.15492 
    42.89505     40.57812     37.70239     36.34860     33.74085     28.79049 
    28.56094     26.92995     23.12817     20.99218     20.61674     16.75704 
    13.82523     12.23852      9.99548      8.58228      6.58379      3.84863 
overlap for current and previous eigenvector    109 is         0.9999997775
overlap for current and previous eigenvector    110 is         0.9999996447
overlap for current and previous eigenvector    111 is         0.9999996865
overlap for current and previous eigenvector    112 is         0.9999976193
overlap for current and previous eigenvector    113 is         0.9999976337
overlap for current and previous eigenvector    114 is         0.9999997008
J1,K1,R1,R2,RAT=   7   7   -0.4531151401E-02     2.004354228        0.9954688486    
FOB,PFOB,DIAG,PSTEP=   -0.6587228435E-05   -0.6557512723E-05     738.0619437        0.8885558886E-08
J1,K1,R1,R2,RAT=   8   8   -0.9588960560E-02     2.009568193        0.9904110394    
FOB,PFOB,DIAG,PSTEP=   -0.6368506491E-05   -0.6308018522E-05     674.1613490        0.9356935149E-08
J1,K1,R1,R2,RAT=   9   9   -0.2064269710E-01     2.020599027        0.9793573029    
FOB,PFOB,DIAG,PSTEP=   -0.1494050211E-05   -0.1463832108E-05     627.8900415        0.2331401957E-08
J1,K1,R1,R2,RAT=  10  10    0.1381412162E-01     1.986233338        0.9861858784    
FOB,PFOB,DIAG,PSTEP=    0.2566012746E-05    0.2601955625E-05     603.3414083       -0.4312473578E-08
J1,K1,R1,R2,RAT=  11  11   -0.4963246310E-02     2.004995582        0.9950367537    
FOB,PFOB,DIAG,PSTEP=   -0.1855880243E-05   -0.1846714692E-05     587.5556285        0.3142995735E-08
J1,K1,R1,R2,RAT= 109 109    0.3671777422E-02     1.996247077        0.9962470771    
FOB,PFOB,DIAG,PSTEP=    0.6976766396E-04    0.7002478983E-04     13.82522515       -0.5065207278E-05
J1,K1,R1,R2,RAT= 110 110   -0.5333574302         182.1040289        0.4666425698    
FOB,PFOB,DIAG,PSTEP=   -0.1117605362E-01   -0.1111077858E-01     12.23851682        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3665203218         25.01882486        0.6334796782    
FOB,PFOB,DIAG,PSTEP=    0.1232058188E-02    0.1268693657E-02     9.995480841       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    -1.011006244         219.5965229        0.1100624438E-01
FOB,PFOB,DIAG,PSTEP=    0.1328973053E-01    0.1316792144E-01     8.582284338       -0.1403857224E-04
J1,K1,R1,R2,RAT= 113 113   -0.7950510398         313.6232949        0.2049489602    
FOB,PFOB,DIAG,PSTEP=   -0.2988949356E-01   -0.2973833398E-01     6.583785196        0.2887786092E-04
J1,K1,R1,R2,RAT= 114 114    0.9875368985        -998.7247830        0.1246310146E-01
FOB,PFOB,DIAG,PSTEP=   -0.7695036305       -0.7679833667         3.848625326       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00003      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00001     -0.00002 
    -0.00002      0.00001      0.00001      0.00003     -0.00000      0.00002 
    -0.00003     -0.00003     -0.00002      0.00004      0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00003     -0.00001      0.00007 
    -0.00003     -0.00003      0.00008      0.00003      0.00004     -0.00001 
    -0.00001     -0.00002      0.00003      0.00001     -0.00002     -0.00005 
    -0.00003      0.00002      0.00005     -0.00001      0.00001     -0.00006 
     0.00004      0.00006     -0.00000      0.00006     -0.00001     -0.00000 
     0.00004     -0.00005     -0.00012     -0.00009     -0.00003      0.00011 
    -0.00004      0.00012      0.00007     -0.00005     -0.00007     -0.00001 
     0.00007     -0.01118      0.00123      0.01329     -0.02989     -0.76950 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4125034819
 Log product of positive Hessian eigenvalues =          519.5241809547
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8486253257
 Unscaled step for mode    7=        0.0000000089
 Unscaled step for mode    8=        0.0000000094
 Unscaled step for mode    9=        0.0000000024
 Unscaled step for mode   10=       -0.0000000043
 Unscaled step for mode   11=        0.0000000032
 Unscaled step for mode   12=        0.0000000096
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000036
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000157
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000447
 Unscaled step for mode   20=       -0.0000000136
 Unscaled step for mode   21=       -0.0000000147
 Unscaled step for mode   22=        0.0000000266
 Unscaled step for mode   23=       -0.0000000040
 Unscaled step for mode   24=        0.0000000127
 Unscaled step for mode   25=        0.0000000655
 Unscaled step for mode   26=        0.0000001068
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000407
 Unscaled step for mode   29=       -0.0000000761
 Unscaled step for mode   30=        0.0000000793
 Unscaled step for mode   31=        0.0000000683
 Unscaled step for mode   32=        0.0000000320
 Unscaled step for mode   33=       -0.0000000514
 Unscaled step for mode   34=       -0.0000000575
 Unscaled step for mode   35=       -0.0000000927
 Unscaled step for mode   36=       -0.0000000837
 Unscaled step for mode   37=        0.0000000801
 Unscaled step for mode   38=       -0.0000000116
 Unscaled step for mode   39=        0.0000000887
 Unscaled step for mode   40=        0.0000000968
 Unscaled step for mode   41=        0.0000001951
 Unscaled step for mode   42=        0.0000000763
 Unscaled step for mode   43=        0.0000000882
 Unscaled step for mode   44=        0.0000001631
 Unscaled step for mode   45=       -0.0000000113
 Unscaled step for mode   46=       -0.0000001531
 Unscaled step for mode   47=        0.0000001410
 Unscaled step for mode   48=       -0.0000000333
 Unscaled step for mode   49=       -0.0000001512
 Unscaled step for mode   50=       -0.0000000438
 Unscaled step for mode   51=        0.0000000993
 Unscaled step for mode   52=       -0.0000000349
 Unscaled step for mode   53=        0.0000000862
 Unscaled step for mode   54=        0.0000001333
 Unscaled step for mode   55=        0.0000001342
 Unscaled step for mode   56=       -0.0000000403
 Unscaled step for mode   57=       -0.0000000917
 Unscaled step for mode   58=       -0.0000001755
 Unscaled step for mode   59=        0.0000000336
 Unscaled step for mode   60=       -0.0000001732
 Unscaled step for mode   61=        0.0000002502
 Unscaled step for mode   62=        0.0000001877
 Unscaled step for mode   63=        0.0000001561
 Unscaled step for mode   64=       -0.0000002824
 Unscaled step for mode   65=       -0.0000001918
 Unscaled step for mode   66=       -0.0000001073
 Unscaled step for mode   67=        0.0000001023
 Unscaled step for mode   68=       -0.0000000777
 Unscaled step for mode   69=        0.0000000649
 Unscaled step for mode   70=        0.0000002790
 Unscaled step for mode   71=        0.0000000649
 Unscaled step for mode   72=       -0.0000007031
 Unscaled step for mode   73=        0.0000002922
 Unscaled step for mode   74=        0.0000002523
 Unscaled step for mode   75=       -0.0000008680
 Unscaled step for mode   76=       -0.0000003315
 Unscaled step for mode   77=       -0.0000004141
 Unscaled step for mode   78=        0.0000001316
 Unscaled step for mode   79=        0.0000000827
 Unscaled step for mode   80=        0.0000002561
 Unscaled step for mode   81=       -0.0000003241
 Unscaled step for mode   82=       -0.0000001613
 Unscaled step for mode   83=        0.0000001988
 Unscaled step for mode   84=        0.0000007318
 Unscaled step for mode   85=        0.0000004786
 Unscaled step for mode   86=       -0.0000002358
 Unscaled step for mode   87=       -0.0000006878
 Unscaled step for mode   88=        0.0000001871
 Unscaled step for mode   89=       -0.0000001559
 Unscaled step for mode   90=        0.0000010385
 Unscaled step for mode   91=       -0.0000005988
 Unscaled step for mode   92=       -0.0000011044
 Unscaled step for mode   93=        0.0000000855
 Unscaled step for mode   94=       -0.0000010781
 Unscaled step for mode   95=        0.0000002793
 Unscaled step for mode   96=        0.0000000426
 Unscaled step for mode   97=       -0.0000010086
 Unscaled step for mode   98=        0.0000013280
 Unscaled step for mode   99=        0.0000032671
 Unscaled step for mode  100=        0.0000023387
 Unscaled step for mode  101=        0.0000007958
 Unscaled step for mode  102=       -0.0000037145
 Unscaled step for mode  103=        0.0000014282
 Unscaled step for mode  104=       -0.0000044653
 Unscaled step for mode  105=       -0.0000029585
 Unscaled step for mode  106=        0.0000025892
 Unscaled step for mode  107=        0.0000033842
 Unscaled step for mode  108=        0.0000006234
 Unscaled step for mode  109=       -0.0000050464
 Unscaled step for mode  110=        0.0009131862
 Unscaled step for mode  111=       -0.0001232615
 Unscaled step for mode  112=       -0.0015485037
 Unscaled step for mode  113=        0.0045397711
 Unscaled step for mode  114=       -0.1925309624
 Largest modulus ratio of non-zero e/values=           191.7728750    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.230068E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.173060E-14    0.100693E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.185464E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.487024E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.760243E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.361541E-15    0.974017E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.658723E-05    0.738062E+03  0.892503E-08 0.100000E-04    0.995469E+00
   8   -0.636851E-05    0.674161E+03  0.944656E-08 0.100000E-04    0.990411E+00
   9   -0.149405E-05    0.627890E+03  0.237948E-08 0.100000E-04    0.979357E+00
  10    0.256601E-05    0.603341E+03 -0.425300E-08 0.100000E-04    0.986186E+00
  11   -0.185588E-05    0.587556E+03  0.315865E-08 0.100000E-04    0.995037E+00
  12   -0.551460E-05    0.574579E+03  0.959763E-08 0.100000E-04    0.983675E+00
  13   -0.363414E-05    0.567083E+03  0.640848E-08 0.100000E-04    0.990506E+00
  14    0.176341E-05    0.484844E+03 -0.363707E-08 0.100000E-04    0.956033E+00
  15    0.202259E-05    0.463343E+03 -0.436521E-08 0.100000E-04    0.983460E+00
  16    0.724258E-05    0.460840E+03 -0.157160E-07 0.100000E-04    0.998865E+00
  17    0.452672E-05    0.441552E+03 -0.102519E-07 0.100000E-04    0.990747E+00
  18    0.476457E-05    0.429165E+03 -0.111020E-07 0.100000E-04    0.998632E+00
  19   -0.188659E-04    0.422055E+03  0.447002E-07 0.100000E-04    0.999431E+00
  20    0.554770E-05    0.408422E+03 -0.135832E-07 0.100000E-04    0.991274E+00
  21    0.583553E-05    0.397021E+03 -0.146983E-07 0.100000E-04    0.992696E+00
  22   -0.103268E-04    0.388641E+03  0.265715E-07 0.100000E-04    0.998001E+00
  23    0.146937E-05    0.368541E+03 -0.398698E-08 0.100000E-04    0.960579E+00
  24   -0.458400E-05    0.361139E+03  0.126932E-07 0.100000E-04    0.991384E+00
  25   -0.229315E-04    0.350295E+03  0.654635E-07 0.100000E-04    0.998054E+00
  26   -0.358027E-04    0.335203E+03  0.106809E-06 0.100000E-04    0.999979E+00
  27   -0.176968E-04    0.327018E+03  0.541157E-07 0.100000E-04    0.998612E+00
  28    0.130721E-04    0.321529E+03 -0.406560E-07 0.100000E-04    0.996044E+00
  29    0.243708E-04    0.320042E+03 -0.761486E-07 0.100000E-04    0.994138E+00
  30   -0.246683E-04    0.311153E+03  0.792801E-07 0.100000E-04    0.998353E+00
  31   -0.206746E-04    0.302905E+03  0.682546E-07 0.100000E-04    0.992768E+00
  32   -0.925492E-05    0.289303E+03  0.319904E-07 0.100000E-04    0.997132E+00
  33    0.143006E-04    0.278459E+03 -0.513561E-07 0.100000E-04    0.997624E+00
  34    0.156017E-04    0.271239E+03 -0.575202E-07 0.100000E-04    0.997461E+00
  35    0.248047E-04    0.267485E+03 -0.927331E-07 0.100000E-04    0.997381E+00
  36    0.221537E-04    0.264629E+03 -0.837160E-07 0.100000E-04    0.996849E+00
  37   -0.208879E-04    0.260854E+03  0.800751E-07 0.100000E-04    0.999140E+00
  38    0.295328E-05    0.253904E+03 -0.116315E-07 0.100000E-04    0.979830E+00
  39   -0.214631E-04    0.241940E+03  0.887125E-07 0.100000E-04    0.999710E+00
  40   -0.231502E-04    0.239197E+03  0.967830E-07 0.100000E-04    0.993471E+00
  41   -0.457066E-04    0.234223E+03  0.195141E-06 0.100000E-04    0.997703E+00
  42   -0.174126E-04    0.228118E+03  0.763315E-07 0.100000E-04    0.993461E+00
  43   -0.192762E-04    0.218665E+03  0.881543E-07 0.100000E-04    0.993851E+00
  44   -0.349633E-04    0.214310E+03  0.163144E-06 0.100000E-04    0.994100E+00
  45    0.240493E-05    0.212779E+03 -0.113025E-07 0.100000E-04    0.989678E+00
  46    0.317103E-04    0.207165E+03 -0.153068E-06 0.100000E-04    0.996377E+00
  47   -0.286910E-04    0.203542E+03  0.140958E-06 0.100000E-04    0.999915E+00
  48    0.656658E-05    0.196920E+03 -0.333464E-07 0.100000E-04    0.998678E+00
  49    0.294899E-04    0.195014E+03 -0.151220E-06 0.100000E-04    0.995089E+00
  50    0.837787E-05    0.191407E+03 -0.437699E-07 0.100000E-04    0.974384E+00
  51   -0.182270E-04    0.183574E+03  0.992894E-07 0.100000E-04    0.996033E+00
  52    0.608736E-05    0.174391E+03 -0.349064E-07 0.100000E-04    0.988833E+00
  53   -0.148494E-04    0.172203E+03  0.862322E-07 0.100000E-04    0.999268E+00
  54   -0.223553E-04    0.167681E+03  0.133321E-06 0.100000E-04    0.994639E+00
  55   -0.220642E-04    0.164437E+03  0.134180E-06 0.100000E-04    0.998668E+00
  56    0.637472E-05    0.158201E+03 -0.402951E-07 0.100000E-04    0.991689E+00
  57    0.141460E-04    0.154329E+03 -0.916618E-07 0.100000E-04    0.996832E+00
  58    0.266297E-04    0.151751E+03 -0.175482E-06 0.100000E-04    0.998820E+00
  59   -0.496984E-05    0.147996E+03  0.335810E-07 0.100000E-04    0.999385E+00
  60    0.248404E-04    0.143423E+03 -0.173196E-06 0.100000E-04    0.997595E+00
  61   -0.343607E-04    0.137360E+03  0.250151E-06 0.100000E-04    0.997815E+00
  62   -0.255208E-04    0.135934E+03  0.187743E-06 0.100000E-04    0.996454E+00
  63   -0.203817E-04    0.130558E+03  0.156112E-06 0.100000E-04    0.989127E+00
  64    0.362603E-04    0.128382E+03 -0.282441E-06 0.100000E-04    0.996334E+00
  65    0.242317E-04    0.126367E+03 -0.191756E-06 0.100000E-04    0.996856E+00
  66    0.134445E-04    0.125261E+03 -0.107333E-06 0.100000E-04    0.988276E+00
  67   -0.122600E-04    0.119860E+03  0.102286E-06 0.100000E-04    0.987929E+00
  68    0.917879E-05    0.118124E+03 -0.777044E-07 0.100000E-04    0.997957E+00
  69   -0.759624E-05    0.117102E+03  0.648688E-07 0.100000E-04    0.995662E+00
  70   -0.308650E-04    0.110645E+03  0.278954E-06 0.100000E-04    0.993458E+00
  71   -0.696464E-05    0.107391E+03  0.648534E-07 0.100000E-04    0.997452E+00
  72    0.735185E-04    0.104563E+03 -0.703104E-06 0.100000E-04    0.998951E+00
  73   -0.301184E-04    0.103067E+03  0.292221E-06 0.100000E-04    0.999944E+00
  74   -0.251573E-04    0.997046E+02  0.252318E-06 0.100000E-04    0.993201E+00
  75    0.831305E-04    0.957723E+02 -0.868002E-06 0.100000E-04    0.999282E+00
  76    0.311372E-04    0.939284E+02 -0.331499E-06 0.100000E-04    0.986844E+00
  77    0.388134E-04    0.937321E+02 -0.414089E-06 0.100000E-04    0.986549E+00
  78   -0.119465E-04    0.907774E+02  0.131603E-06 0.100000E-04    0.973911E+00
  79   -0.738768E-05    0.893207E+02  0.827096E-07 0.100000E-04    0.987216E+00
  80   -0.218184E-04    0.852004E+02  0.256083E-06 0.100000E-04    0.997735E+00
  81    0.262199E-04    0.808894E+02 -0.324145E-06 0.100000E-04    0.997680E+00
  82    0.128996E-04    0.799710E+02 -0.161304E-06 0.100000E-04    0.978755E+00
  83   -0.155457E-04    0.782076E+02  0.198775E-06 0.100000E-04    0.989830E+00
  84   -0.534008E-04    0.729680E+02  0.731839E-06 0.100000E-04    0.999601E+00
  85   -0.347164E-04    0.725375E+02  0.478599E-06 0.100000E-04    0.986604E+00
  86    0.160886E-04    0.682265E+02 -0.235812E-06 0.100000E-04    0.992112E+00
  87    0.452089E-04    0.657314E+02 -0.687782E-06 0.100000E-04    0.999668E+00
  88   -0.117495E-04    0.627875E+02  0.187131E-06 0.100000E-04    0.998853E+00
  89    0.934389E-05    0.599422E+02 -0.155882E-06 0.100000E-04    0.999175E+00
  90   -0.617737E-04    0.594819E+02  0.103853E-05 0.100000E-04    0.994993E+00
  91    0.353173E-04    0.589843E+02 -0.598758E-06 0.100000E-04    0.985605E+00
  92    0.618986E-04    0.560471E+02 -0.110440E-05 0.100000E-04    0.996916E+00
  93   -0.449872E-05    0.526012E+02  0.855250E-07 0.100000E-04    0.891068E+00
  94    0.564047E-04    0.523189E+02 -0.107809E-05 0.100000E-04    0.998243E+00
  95   -0.139692E-04    0.500174E+02  0.279288E-06 0.100000E-04    0.968606E+00
  96   -0.200655E-05    0.471549E+02  0.425524E-07 0.100000E-04    0.958277E+00
  97    0.432636E-04    0.428950E+02 -0.100859E-05 0.100000E-04    0.991019E+00
  98   -0.538887E-04    0.405781E+02  0.132802E-05 0.100000E-04    0.999674E+00
  99   -0.123176E-03    0.377024E+02  0.326707E-05 0.100000E-04    0.995883E+00
 100   -0.850101E-04    0.363486E+02  0.233874E-05 0.100000E-04    0.999354E+00
 101   -0.268507E-04    0.337408E+02  0.795791E-06 0.100000E-04    0.984443E+00
 102    0.106942E-03    0.287905E+02 -0.371448E-05 0.100000E-04    0.998487E+00
 103   -0.407909E-04    0.285609E+02  0.142821E-05 0.100000E-04    0.993552E+00
 104    0.120249E-03    0.269299E+02 -0.446525E-05 0.100000E-04    0.998446E+00
 105    0.684246E-04    0.231282E+02 -0.295850E-05 0.100000E-04    0.996176E+00
 106   -0.543534E-04    0.209922E+02  0.258922E-05 0.100000E-04    0.999846E+00
 107   -0.697705E-04    0.206167E+02  0.338417E-05 0.100000E-04    0.993878E+00
 108   -0.104461E-04    0.167570E+02  0.623388E-06 0.100000E-04    0.940285E+00
 109    0.697677E-04    0.138252E+02 -0.504640E-05 0.100000E-04    0.996247E+00
 110   -0.111761E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.466643E+00
 111    0.123206E-02    0.999548E+01 -0.100000E-04 0.100000E-04    0.633480E+00
 112    0.132897E-01    0.858228E+01 -0.153020E-04 0.153020E-04    0.110062E-01
 113   -0.298895E-01    0.658379E+01  0.260161E-04 0.260161E-04    0.204949E+00
 114   -0.769504E+00    0.384863E+01 -0.400000E-03 0.400000E-03    0.124631E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1925309624    

 Beginning of optimization cycle  403.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3356745975
 potential> RMS force:                                               0.0722863053   |gradient|=.7718065382    
 Eigenvalues of the Hessian matrix:
   738.12715    674.16864    627.90371    603.32680    587.54634    574.62085 
   567.08237    484.87138    463.31951    460.83429    441.55487    429.15890 
   422.05639    408.42699    397.01627    388.63695    368.55117    361.13101 
   350.28693    335.19526    327.03459    321.53257    320.03265    311.13630 
   302.88783    289.31347    278.45554    271.24854    267.49226    264.63256 
   260.87443    253.90139    241.93558    239.21018    234.21349    228.11153 
   218.64397    214.31712    212.78537    207.16552    203.54069    196.91029 
   195.00993    191.40502    183.56473    174.38320    172.20625    167.68348 
   164.42787    158.18929    154.33334    151.75729    147.98576    143.42520 
   137.36407    135.93487    130.55708    128.38605    126.37168    125.25490 
   119.86175    118.12506    117.10237    110.64062    107.38511    104.56025 
   103.06585     99.70379     95.77339     93.91257     93.74132     90.78104 
    89.31457     85.20328     80.88891     79.97320     78.20637     72.97142 
    72.54170     68.22550     65.72139     62.77893     59.94283     59.47791 
    58.98027     56.04693     52.59966     52.31876     50.01693     47.14857 
    42.89625     40.58094     37.70582     36.35070     33.72832     28.79025 
    28.55962     26.92236     23.13025     20.99075     20.61498     16.75582 
    13.82579     12.23851      9.99685      8.57927      6.57512      3.84298 
overlap for current and previous eigenvector    109 is         0.9999997811
overlap for current and previous eigenvector    110 is         0.9999996490
overlap for current and previous eigenvector    111 is        -0.9999997002
overlap for current and previous eigenvector    112 is        -0.9999976605
overlap for current and previous eigenvector    113 is        -0.9999976677
overlap for current and previous eigenvector    114 is        -0.9999997090
J1,K1,R1,R2,RAT=   7   7   -0.6023553087E-02     2.005846884        0.9939764469    
FOB,PFOB,DIAG,PSTEP=   -0.6626910460E-05   -0.6587228435E-05     738.1271456        0.8925034668E-08
J1,K1,R1,R2,RAT=   8   8    0.3919568270E-02     1.996058815        0.9960588154    
FOB,PFOB,DIAG,PSTEP=   -0.6343544425E-05   -0.6368506491E-05     674.1686355        0.9446561273E-08
J1,K1,R1,R2,RAT=   9   9    0.4335958274E-02     1.995620519        0.9956205192    
FOB,PFOB,DIAG,PSTEP=   -0.1487571931E-05   -0.1494050211E-05     627.9037055        0.2379477476E-08
J1,K1,R1,R2,RAT=  10  10   -0.2388267376E-01     2.023931099        0.9761173262    
FOB,PFOB,DIAG,PSTEP=    0.2627294508E-05    0.2566012746E-05     603.3268000       -0.4253002879E-08
J1,K1,R1,R2,RAT=  11  11   -0.1104009021E-01     2.011071723        0.9889599098    
FOB,PFOB,DIAG,PSTEP=   -0.1876369005E-05   -0.1855880243E-05     587.5463355        0.3158646013E-08
J1,K1,R1,R2,RAT= 109 109    0.2269152321E-02     1.997649246        0.9976492461    
FOB,PFOB,DIAG,PSTEP=    0.6960934404E-04    0.6976766396E-04     13.82578925       -0.5046403455E-05
J1,K1,R1,R2,RAT= 110 110   -0.5524278125         183.1899821        0.4475721875    
FOB,PFOB,DIAG,PSTEP=   -0.1124366253E-01   -0.1117605362E-01     12.23850556        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     24.28271577        0.3662180072        0.6337819928    
FOB,PFOB,DIAG,PSTEP=   -0.1195447932E-02    0.1232058188E-02     9.996847730       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     203.2818703       -0.8186332267        0.1813667733    
FOB,PFOB,DIAG,PSTEP=   -0.1339720105E-01    0.1328973053E-01     8.579274336       -0.1530204374E-04
J1,K1,R1,R2,RAT= 113 113     350.3881840       -0.9239071579        0.7609284207E-01
FOB,PFOB,DIAG,PSTEP=    0.3004753614E-01   -0.2988949356E-01     6.575120598        0.2601609092E-04
J1,K1,R1,R2,RAT= 114 114    -1002.169975        0.9877925398        0.1220746017E-01
FOB,PFOB,DIAG,PSTEP=    0.7710220554       -0.7695036305         3.842975056       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001     -0.00002 
    -0.00002      0.00001      0.00001      0.00003     -0.00001      0.00002 
    -0.00003     -0.00003     -0.00002      0.00004      0.00002      0.00001 
    -0.00001      0.00001     -0.00001      0.00003     -0.00001      0.00007 
    -0.00003     -0.00003      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001     -0.00002     -0.00003      0.00001     -0.00002     -0.00005 
     0.00003     -0.00002      0.00005     -0.00001      0.00001     -0.00006 
     0.00004      0.00006     -0.00000      0.00006     -0.00001     -0.00000 
     0.00004     -0.00005     -0.00012     -0.00008     -0.00003      0.00011 
    -0.00004      0.00012     -0.00007     -0.00006      0.00007     -0.00001 
     0.00007     -0.01124     -0.00120     -0.01340      0.03005      0.77102 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4122820043
 Log product of positive Hessian eigenvalues =          519.5198677381
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8429750560
 Unscaled step for mode    7=        0.0000000090
 Unscaled step for mode    8=        0.0000000094
 Unscaled step for mode    9=        0.0000000024
 Unscaled step for mode   10=       -0.0000000044
 Unscaled step for mode   11=        0.0000000032
 Unscaled step for mode   12=        0.0000000096
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000037
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000158
 Unscaled step for mode   17=       -0.0000000104
 Unscaled step for mode   18=       -0.0000000111
 Unscaled step for mode   19=        0.0000000449
 Unscaled step for mode   20=       -0.0000000136
 Unscaled step for mode   21=       -0.0000000147
 Unscaled step for mode   22=        0.0000000267
 Unscaled step for mode   23=       -0.0000000038
 Unscaled step for mode   24=        0.0000000128
 Unscaled step for mode   25=        0.0000000656
 Unscaled step for mode   26=        0.0000001070
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000406
 Unscaled step for mode   29=       -0.0000000769
 Unscaled step for mode   30=        0.0000000789
 Unscaled step for mode   31=        0.0000000683
 Unscaled step for mode   32=        0.0000000321
 Unscaled step for mode   33=       -0.0000000517
 Unscaled step for mode   34=       -0.0000000579
 Unscaled step for mode   35=       -0.0000000925
 Unscaled step for mode   36=       -0.0000000837
 Unscaled step for mode   37=        0.0000000802
 Unscaled step for mode   38=       -0.0000000118
 Unscaled step for mode   39=        0.0000000889
 Unscaled step for mode   40=        0.0000000974
 Unscaled step for mode   41=        0.0000001953
 Unscaled step for mode   42=        0.0000000764
 Unscaled step for mode   43=        0.0000000880
 Unscaled step for mode   44=        0.0000001634
 Unscaled step for mode   45=       -0.0000000120
 Unscaled step for mode   46=       -0.0000001534
 Unscaled step for mode   47=        0.0000001405
 Unscaled step for mode   48=       -0.0000000337
 Unscaled step for mode   49=       -0.0000001510
 Unscaled step for mode   50=       -0.0000000450
 Unscaled step for mode   51=        0.0000000992
 Unscaled step for mode   52=        0.0000000351
 Unscaled step for mode   53=       -0.0000000865
 Unscaled step for mode   54=        0.0000001334
 Unscaled step for mode   55=        0.0000001343
 Unscaled step for mode   56=       -0.0000000405
 Unscaled step for mode   57=       -0.0000000923
 Unscaled step for mode   58=       -0.0000001756
 Unscaled step for mode   59=        0.0000000342
 Unscaled step for mode   60=       -0.0000001733
 Unscaled step for mode   61=        0.0000002522
 Unscaled step for mode   62=        0.0000001874
 Unscaled step for mode   63=        0.0000001572
 Unscaled step for mode   64=       -0.0000002837
 Unscaled step for mode   65=       -0.0000001932
 Unscaled step for mode   66=       -0.0000001072
 Unscaled step for mode   67=        0.0000001020
 Unscaled step for mode   68=       -0.0000000779
 Unscaled step for mode   69=        0.0000000657
 Unscaled step for mode   70=       -0.0000002778
 Unscaled step for mode   71=        0.0000000647
 Unscaled step for mode   72=       -0.0000007066
 Unscaled step for mode   73=        0.0000002925
 Unscaled step for mode   74=        0.0000002528
 Unscaled step for mode   75=       -0.0000008689
 Unscaled step for mode   76=       -0.0000003377
 Unscaled step for mode   77=        0.0000004097
 Unscaled step for mode   78=        0.0000001315
 Unscaled step for mode   79=        0.0000000831
 Unscaled step for mode   80=        0.0000002552
 Unscaled step for mode   81=        0.0000003247
 Unscaled step for mode   82=       -0.0000001612
 Unscaled step for mode   83=        0.0000001966
 Unscaled step for mode   84=        0.0000007380
 Unscaled step for mode   85=       -0.0000004796
 Unscaled step for mode   86=        0.0000002390
 Unscaled step for mode   87=       -0.0000006902
 Unscaled step for mode   88=        0.0000001891
 Unscaled step for mode   89=       -0.0000001482
 Unscaled step for mode   90=        0.0000010375
 Unscaled step for mode   91=       -0.0000006145
 Unscaled step for mode   92=       -0.0000010999
 Unscaled step for mode   93=        0.0000000789
 Unscaled step for mode   94=       -0.0000010826
 Unscaled step for mode   95=        0.0000002834
 Unscaled step for mode   96=        0.0000000497
 Unscaled step for mode   97=       -0.0000010214
 Unscaled step for mode   98=        0.0000013359
 Unscaled step for mode   99=        0.0000032797
 Unscaled step for mode  100=        0.0000023342
 Unscaled step for mode  101=        0.0000008177
 Unscaled step for mode  102=       -0.0000037309
 Unscaled step for mode  103=        0.0000014332
 Unscaled step for mode  104=       -0.0000045072
 Unscaled step for mode  105=        0.0000029709
 Unscaled step for mode  106=        0.0000027007
 Unscaled step for mode  107=       -0.0000032461
 Unscaled step for mode  108=        0.0000007053
 Unscaled step for mode  109=       -0.0000050347
 Unscaled step for mode  110=        0.0009187113
 Unscaled step for mode  111=        0.0001195825
 Unscaled step for mode  112=        0.0015615736
 Unscaled step for mode  113=       -0.0045697882
 Unscaled step for mode  114=        0.1931468516
 Largest modulus ratio of non-zero e/values=           192.0718024    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.763278E-16    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.955616E-15    0.100692E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.304878E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.238524E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.512584E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.800399E-15    0.974018E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.662691E-05    0.738127E+03  0.897801E-08 0.100000E-04    0.993976E+00
   8   -0.634354E-05    0.674169E+03  0.940943E-08 0.100000E-04    0.996059E+00
   9   -0.148757E-05    0.627904E+03  0.236911E-08 0.100000E-04    0.995621E+00
  10    0.262729E-05    0.603327E+03 -0.435468E-08 0.100000E-04    0.976117E+00
  11   -0.187637E-05    0.587546E+03  0.319357E-08 0.100000E-04    0.988960E+00
  12   -0.548992E-05    0.574621E+03  0.955398E-08 0.100000E-04    0.995379E+00
  13   -0.360628E-05    0.567082E+03  0.635935E-08 0.100000E-04    0.992332E+00
  14    0.177350E-05    0.484871E+03 -0.365766E-08 0.100000E-04    0.994283E+00
  15    0.201497E-05    0.463320E+03 -0.434899E-08 0.100000E-04    0.996236E+00
  16    0.728561E-05    0.460834E+03 -0.158096E-07 0.100000E-04    0.994059E+00
  17    0.458005E-05    0.441555E+03 -0.103725E-07 0.100000E-04    0.988221E+00
  18    0.477200E-05    0.429159E+03 -0.111194E-07 0.100000E-04    0.998441E+00
  19   -0.189361E-04    0.422056E+03  0.448663E-07 0.100000E-04    0.996278E+00
  20    0.555603E-05    0.408427E+03 -0.136035E-07 0.100000E-04    0.998499E+00
  21    0.584609E-05    0.397016E+03 -0.147251E-07 0.100000E-04    0.998190E+00
  22   -0.103706E-04    0.388637E+03  0.266845E-07 0.100000E-04    0.995760E+00
  23    0.140805E-05    0.368551E+03 -0.382049E-08 0.100000E-04    0.958213E+00
  24   -0.461551E-05    0.361131E+03  0.127807E-07 0.100000E-04    0.993127E+00
  25   -0.229788E-04    0.350287E+03  0.656000E-07 0.100000E-04    0.997937E+00
  26   -0.358715E-04    0.335195E+03  0.107017E-06 0.100000E-04    0.998080E+00
  27   -0.177031E-04    0.327035E+03  0.541322E-07 0.100000E-04    0.999645E+00
  28    0.130486E-04    0.321533E+03 -0.405826E-07 0.100000E-04    0.998182E+00
  29    0.246200E-04    0.320033E+03 -0.769298E-07 0.100000E-04    0.989773E+00
  30   -0.245536E-04    0.311136E+03  0.789159E-07 0.100000E-04    0.995352E+00
  31   -0.206765E-04    0.302888E+03  0.682645E-07 0.100000E-04    0.999910E+00
  32   -0.929054E-05    0.289313E+03  0.321124E-07 0.100000E-04    0.996152E+00
  33    0.144004E-04    0.278456E+03 -0.517154E-07 0.100000E-04    0.993016E+00
  34    0.157184E-04    0.271249E+03 -0.579484E-07 0.100000E-04    0.992520E+00
  35    0.247435E-04    0.267492E+03 -0.925016E-07 0.100000E-04    0.997476E+00
  36    0.221570E-04    0.264633E+03 -0.837273E-07 0.100000E-04    0.999851E+00
  37   -0.209293E-04    0.260874E+03  0.802274E-07 0.100000E-04    0.998018E+00
  38    0.300737E-05    0.253901E+03 -0.118446E-07 0.100000E-04    0.981686E+00
  39   -0.215176E-04    0.241936E+03  0.889395E-07 0.100000E-04    0.997461E+00
  40   -0.233057E-04    0.239210E+03  0.974277E-07 0.100000E-04    0.993284E+00
  41   -0.457451E-04    0.234213E+03  0.195314E-06 0.100000E-04    0.999158E+00
  42   -0.174187E-04    0.228112E+03  0.763605E-07 0.100000E-04    0.999650E+00
  43   -0.192503E-04    0.218644E+03  0.880439E-07 0.100000E-04    0.998653E+00
  44   -0.350119E-04    0.214317E+03  0.163365E-06 0.100000E-04    0.998610E+00
  45    0.255216E-05    0.212785E+03 -0.119941E-07 0.100000E-04    0.938782E+00
  46    0.317745E-04    0.207166E+03 -0.153377E-06 0.100000E-04    0.997975E+00
  47   -0.285882E-04    0.203541E+03  0.140455E-06 0.100000E-04    0.996418E+00
  48    0.663636E-05    0.196910E+03 -0.337024E-07 0.100000E-04    0.989373E+00
  49    0.294489E-04    0.195010E+03 -0.151012E-06 0.100000E-04    0.998608E+00
  50    0.861687E-05    0.191405E+03 -0.450191E-07 0.100000E-04    0.971471E+00
  51   -0.182029E-04    0.183565E+03  0.991633E-07 0.100000E-04    0.998679E+00
  52   -0.612398E-05    0.174383E+03  0.351179E-07 0.100000E-04    0.993985E+00
  53    0.149039E-04    0.172206E+03 -0.865469E-07 0.100000E-04    0.996328E+00
  54   -0.223719E-04    0.167683E+03  0.133417E-06 0.100000E-04    0.999258E+00
  55   -0.220803E-04    0.164428E+03  0.134286E-06 0.100000E-04    0.999269E+00
  56    0.640676E-05    0.158189E+03 -0.405006E-07 0.100000E-04    0.994974E+00
  57    0.142469E-04    0.154333E+03 -0.923125E-07 0.100000E-04    0.992870E+00
  58    0.266484E-04    0.151757E+03 -0.175599E-06 0.100000E-04    0.999299E+00
  59   -0.505667E-05    0.147986E+03  0.341700E-07 0.100000E-04    0.982527E+00
  60    0.248549E-04    0.143425E+03 -0.173295E-06 0.100000E-04    0.999415E+00
  61   -0.346368E-04    0.137364E+03  0.252153E-06 0.100000E-04    0.991965E+00
  62   -0.254729E-04    0.135935E+03  0.187390E-06 0.100000E-04    0.998117E+00
  63   -0.205272E-04    0.130557E+03  0.157228E-06 0.100000E-04    0.992861E+00
  64    0.364212E-04    0.128386E+03 -0.283685E-06 0.100000E-04    0.995563E+00
  65    0.244180E-04    0.126372E+03 -0.193224E-06 0.100000E-04    0.992311E+00
  66    0.134245E-04    0.125255E+03 -0.107177E-06 0.100000E-04    0.998506E+00
  67   -0.122272E-04    0.119862E+03  0.102011E-06 0.100000E-04    0.997297E+00
  68    0.919963E-05    0.118125E+03 -0.778805E-07 0.100000E-04    0.997729E+00
  69   -0.769813E-05    0.117102E+03  0.657385E-07 0.100000E-04    0.986587E+00
  70    0.307406E-04    0.110641E+03 -0.277842E-06 0.100000E-04    0.995971E+00
  71   -0.694937E-05    0.107385E+03  0.647144E-07 0.100000E-04    0.997806E+00
  72    0.738860E-04    0.104560E+03 -0.706636E-06 0.100000E-04    0.995001E+00
  73   -0.301486E-04    0.103066E+03  0.292518E-06 0.100000E-04    0.998996E+00
  74   -0.252093E-04    0.997038E+02  0.252842E-06 0.100000E-04    0.997930E+00
  75    0.832135E-04    0.957734E+02 -0.868858E-06 0.100000E-04    0.999002E+00
  76    0.317189E-04    0.939126E+02 -0.337749E-06 0.100000E-04    0.981313E+00
  77   -0.384067E-04    0.937413E+02  0.409709E-06 0.100000E-04    0.989326E+00
  78   -0.119385E-04    0.907810E+02  0.131509E-06 0.100000E-04    0.999250E+00
  79   -0.742260E-05    0.893146E+02  0.831062E-07 0.100000E-04    0.995273E+00
  80   -0.217414E-04    0.852033E+02  0.255171E-06 0.100000E-04    0.996403E+00
  81   -0.262669E-04    0.808889E+02  0.324728E-06 0.100000E-04    0.998209E+00
  82    0.128911E-04    0.799732E+02 -0.161193E-06 0.100000E-04    0.999288E+00
  83   -0.153778E-04    0.782064E+02  0.196631E-06 0.100000E-04    0.989197E+00
  84   -0.538534E-04    0.729714E+02  0.738007E-06 0.100000E-04    0.991524E+00
  85    0.347939E-04    0.725417E+02 -0.479640E-06 0.100000E-04    0.997769E+00
  86   -0.163031E-04    0.682255E+02  0.238958E-06 0.100000E-04    0.986671E+00
  87    0.453630E-04    0.657214E+02 -0.690232E-06 0.100000E-04    0.996591E+00
  88   -0.118742E-04    0.627789E+02  0.189143E-06 0.100000E-04    0.989385E+00
  89    0.888218E-05    0.599428E+02 -0.148177E-06 0.100000E-04    0.950566E+00
  90   -0.617080E-04    0.594779E+02  0.103749E-05 0.100000E-04    0.998937E+00
  91    0.362424E-04    0.589803E+02 -0.614483E-06 0.100000E-04    0.973805E+00
  92    0.616479E-04    0.560469E+02 -0.109993E-05 0.100000E-04    0.995950E+00
  93   -0.415267E-05    0.525997E+02  0.789485E-07 0.100000E-04    0.923075E+00
  94    0.566396E-04    0.523188E+02 -0.108259E-05 0.100000E-04    0.995835E+00
  95   -0.141729E-04    0.500169E+02  0.283362E-06 0.100000E-04    0.985421E+00
  96   -0.234331E-05    0.471486E+02  0.497005E-07 0.100000E-04    0.832150E+00
  97    0.438143E-04    0.428963E+02 -0.102140E-05 0.100000E-04    0.987273E+00
  98   -0.542130E-04    0.405809E+02  0.133592E-05 0.100000E-04    0.993983E+00
  99   -0.123663E-03    0.377058E+02  0.327967E-05 0.100000E-04    0.996052E+00
 100   -0.848495E-04    0.363507E+02  0.233419E-05 0.100000E-04    0.997995E+00
 101   -0.275796E-04    0.337283E+02  0.817699E-06 0.100000E-04    0.972842E+00
 102    0.107415E-03    0.287903E+02 -0.373095E-05 0.100000E-04    0.995576E+00
 103   -0.409317E-04    0.285596E+02  0.143320E-05 0.100000E-04    0.996550E+00
 104    0.121344E-03    0.269224E+02 -0.450719E-05 0.100000E-04    0.990890E+00
 105   -0.687175E-04    0.231303E+02  0.297089E-05 0.100000E-04    0.995720E+00
 106   -0.566901E-04    0.209907E+02  0.270072E-05 0.100000E-04    0.957007E+00
 107    0.669187E-04    0.206150E+02 -0.324612E-05 0.100000E-04    0.959123E+00
 108   -0.118179E-04    0.167558E+02  0.705301E-06 0.100000E-04    0.868673E+00
 109    0.696093E-04    0.138258E+02 -0.503475E-05 0.100000E-04    0.997649E+00
 110   -0.112437E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.447572E+00
 111   -0.119545E-02    0.999685E+01  0.100000E-04 0.100000E-04    0.633782E+00
 112   -0.133972E-01    0.857927E+01  0.166792E-04 0.166792E-04    0.181367E+00
 113    0.300475E-01    0.657512E+01 -0.283575E-04 0.283575E-04    0.760928E-01
 114    0.771022E+00    0.384298E+01  0.400000E-03 0.400000E-03    0.122075E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1931468516    

 Beginning of optimization cycle  404.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3353670780
 potential> RMS force:                                               0.0724289206   |gradient|=.7733292527    
 Eigenvalues of the Hessian matrix:
   738.19255    674.17578    627.91768    603.31190    587.53700    574.66277 
   567.08082    484.89833    463.29621    460.82824    441.55781    429.15256 
   422.05811    408.43129    397.01122    388.63247    368.56160    361.12318 
   350.27904    335.18750    327.05166    321.53636    320.02272    311.11935 
   302.87089    289.32412    278.45208    271.25851    267.49980    264.63603 
   260.89521    253.89912    241.93077    239.22335    234.20381    228.10461 
   218.62340    214.32418    212.79222    207.16569    203.53893    196.90057 
   195.00615    191.40327    183.55537    174.37551    172.20996    167.68638 
   164.41863    158.17760    154.33817    151.76315    147.97578    143.42709 
   137.36836    135.93530    130.55572    128.39040    126.37598    125.24904 
   119.86321    118.12570    117.10303    110.63601    107.37972    104.55784 
   103.06472     99.70299     95.77453     93.89664     93.75045     90.78472 
    89.30838     85.20623     80.88841     79.97543     78.20515     72.97490 
    72.54578     68.22448     65.71133     62.77032     59.94352     59.47397 
    58.97621     56.04671     52.59813     52.31857     50.01658     47.14216 
    42.89754     40.58377     37.70924     36.35280     33.71577     28.79005 
    28.55832     26.91481     23.13233     20.98953     20.61302     16.75458 
    13.82636     12.23850      9.99820      8.57649      6.56649      3.83731 
overlap for current and previous eigenvector    109 is         0.9999997852
overlap for current and previous eigenvector    110 is        -0.9999996528
overlap for current and previous eigenvector    111 is         0.9999997040
overlap for current and previous eigenvector    112 is         0.9999978236
overlap for current and previous eigenvector    113 is         0.9999978129
overlap for current and previous eigenvector    114 is         0.9999996957
J1,K1,R1,R2,RAT=   7   7   -0.5778658474E-02     2.005601464        0.9942213415    
FOB,PFOB,DIAG,PSTEP=   -0.6665208505E-05   -0.6626910460E-05     738.1925475        0.8978006701E-08
J1,K1,R1,R2,RAT=   8   8   -0.7714775450E-02     2.007693573        0.9922852245    
FOB,PFOB,DIAG,PSTEP=   -0.6392483965E-05   -0.6343544425E-05     674.1757826        0.9409432731E-08
J1,K1,R1,R2,RAT=   9   9   -0.6208366770E-01     2.062039165        0.9379163323    
FOB,PFOB,DIAG,PSTEP=   -0.1579927907E-05   -0.1487571931E-05     627.9176776        0.2369108380E-08
J1,K1,R1,R2,RAT=  10  10   -0.1306022877E-02     2.001355432        0.9986939771    
FOB,PFOB,DIAG,PSTEP=    0.2630725730E-05    0.2627294508E-05     603.3118954       -0.4354678937E-08
J1,K1,R1,R2,RAT=  11  11    0.1433348094E-01     1.985698288        0.9856665191    
FOB,PFOB,DIAG,PSTEP=   -0.1849474533E-05   -0.1876369005E-05     587.5370028        0.3193567709E-08
J1,K1,R1,R2,RAT= 109 109   -0.1470657138E-01     2.014623530        0.9852934286    
FOB,PFOB,DIAG,PSTEP=    0.7063310133E-04    0.6960934404E-04     13.82636333       -0.5034746499E-05
J1,K1,R1,R2,RAT= 110 110     184.2835769       -0.5410589252        0.4589410748    
FOB,PFOB,DIAG,PSTEP=    0.1130988001E-01   -0.1124366253E-01     12.23849836        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3623917642         23.55087058        0.6376082358    
FOB,PFOB,DIAG,PSTEP=   -0.1159215278E-02   -0.1195447932E-02     9.998200286        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7416309773         188.0506644        0.2583690227    
FOB,PFOB,DIAG,PSTEP=   -0.1350329075E-01   -0.1339720105E-01     8.576486548        0.1667922768E-04
J1,K1,R1,R2,RAT= 113 113   -0.8706693743         323.5990901        0.1293306257    
FOB,PFOB,DIAG,PSTEP=    0.3020966298E-01    0.3004753614E-01     6.566487311       -0.2835753911E-04
J1,K1,R1,R2,RAT= 114 114    0.9871364653        -1005.625788        0.1286353465E-01
FOB,PFOB,DIAG,PSTEP=    0.7725372349        0.7710220554         3.837310330        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
    -0.00002     -0.00001      0.00001     -0.00003     -0.00001     -0.00002 
     0.00003      0.00003     -0.00002     -0.00004      0.00002     -0.00001 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001     -0.00007 
    -0.00003      0.00003      0.00008      0.00003     -0.00004     -0.00001 
     0.00001     -0.00002     -0.00003      0.00001     -0.00002     -0.00005 
     0.00003      0.00002      0.00005      0.00001      0.00001      0.00006 
    -0.00004      0.00006     -0.00000      0.00006      0.00001     -0.00000 
    -0.00004      0.00005     -0.00012     -0.00008      0.00003     -0.00011 
    -0.00004     -0.00012     -0.00007      0.00006     -0.00007      0.00001 
     0.00007      0.01131     -0.00116     -0.01350      0.03021      0.77254 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4120576671
 Log product of positive Hessian eigenvalues =          519.5155773315
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8373103298
 Unscaled step for mode    7=        0.0000000090
 Unscaled step for mode    8=        0.0000000095
 Unscaled step for mode    9=        0.0000000025
 Unscaled step for mode   10=       -0.0000000044
 Unscaled step for mode   11=        0.0000000031
 Unscaled step for mode   12=        0.0000000098
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000039
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000158
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000109
 Unscaled step for mode   19=        0.0000000449
 Unscaled step for mode   20=       -0.0000000134
 Unscaled step for mode   21=       -0.0000000145
 Unscaled step for mode   22=        0.0000000269
 Unscaled step for mode   23=       -0.0000000041
 Unscaled step for mode   24=        0.0000000131
 Unscaled step for mode   25=        0.0000000656
 Unscaled step for mode   26=        0.0000001071
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000403
 Unscaled step for mode   29=       -0.0000000775
 Unscaled step for mode   30=        0.0000000790
 Unscaled step for mode   31=        0.0000000686
 Unscaled step for mode   32=        0.0000000326
 Unscaled step for mode   33=       -0.0000000518
 Unscaled step for mode   34=       -0.0000000583
 Unscaled step for mode   35=       -0.0000000927
 Unscaled step for mode   36=       -0.0000000843
 Unscaled step for mode   37=        0.0000000802
 Unscaled step for mode   38=       -0.0000000122
 Unscaled step for mode   39=        0.0000000889
 Unscaled step for mode   40=        0.0000000985
 Unscaled step for mode   41=        0.0000001960
 Unscaled step for mode   42=        0.0000000772
 Unscaled step for mode   43=        0.0000000885
 Unscaled step for mode   44=        0.0000001647
 Unscaled step for mode   45=       -0.0000000122
 Unscaled step for mode   46=       -0.0000001541
 Unscaled step for mode   47=        0.0000001406
 Unscaled step for mode   48=       -0.0000000335
 Unscaled step for mode   49=       -0.0000001515
 Unscaled step for mode   50=       -0.0000000442
 Unscaled step for mode   51=        0.0000000991
 Unscaled step for mode   52=        0.0000000353
 Unscaled step for mode   53=       -0.0000000863
 Unscaled step for mode   54=       -0.0000001336
 Unscaled step for mode   55=        0.0000001347
 Unscaled step for mode   56=        0.0000000415
 Unscaled step for mode   57=       -0.0000000921
 Unscaled step for mode   58=        0.0000001758
 Unscaled step for mode   59=        0.0000000350
 Unscaled step for mode   60=        0.0000001729
 Unscaled step for mode   61=       -0.0000002516
 Unscaled step for mode   62=       -0.0000001871
 Unscaled step for mode   63=        0.0000001558
 Unscaled step for mode   64=        0.0000002847
 Unscaled step for mode   65=       -0.0000001921
 Unscaled step for mode   66=        0.0000001066
 Unscaled step for mode   67=        0.0000001039
 Unscaled step for mode   68=       -0.0000000773
 Unscaled step for mode   69=        0.0000000656
 Unscaled step for mode   70=        0.0000002791
 Unscaled step for mode   71=       -0.0000000653
 Unscaled step for mode   72=        0.0000007091
 Unscaled step for mode   73=        0.0000002919
 Unscaled step for mode   74=       -0.0000002516
 Unscaled step for mode   75=       -0.0000008685
 Unscaled step for mode   76=       -0.0000003437
 Unscaled step for mode   77=        0.0000004028
 Unscaled step for mode   78=        0.0000001310
 Unscaled step for mode   79=       -0.0000000830
 Unscaled step for mode   80=        0.0000002542
 Unscaled step for mode   81=        0.0000003262
 Unscaled step for mode   82=       -0.0000001639
 Unscaled step for mode   83=        0.0000001947
 Unscaled step for mode   84=        0.0000007391
 Unscaled step for mode   85=       -0.0000004735
 Unscaled step for mode   86=       -0.0000002394
 Unscaled step for mode   87=       -0.0000006881
 Unscaled step for mode   88=       -0.0000001948
 Unscaled step for mode   89=       -0.0000001470
 Unscaled step for mode   90=       -0.0000010302
 Unscaled step for mode   91=        0.0000006210
 Unscaled step for mode   92=       -0.0000010989
 Unscaled step for mode   93=        0.0000000677
 Unscaled step for mode   94=       -0.0000010842
 Unscaled step for mode   95=       -0.0000002798
 Unscaled step for mode   96=        0.0000000509
 Unscaled step for mode   97=        0.0000010108
 Unscaled step for mode   98=       -0.0000013336
 Unscaled step for mode   99=        0.0000032654
 Unscaled step for mode  100=        0.0000023201
 Unscaled step for mode  101=       -0.0000008044
 Unscaled step for mode  102=        0.0000037292
 Unscaled step for mode  103=        0.0000014490
 Unscaled step for mode  104=        0.0000045492
 Unscaled step for mode  105=        0.0000029553
 Unscaled step for mode  106=       -0.0000026844
 Unscaled step for mode  107=        0.0000031723
 Unscaled step for mode  108=       -0.0000006316
 Unscaled step for mode  109=       -0.0000051086
 Unscaled step for mode  110=       -0.0009241224
 Unscaled step for mode  111=        0.0001159424
 Unscaled step for mode  112=        0.0015744509
 Unscaled step for mode  113=       -0.0046004846
 Unscaled step for mode  114=        0.1937640294
 Largest modulus ratio of non-zero e/values=           192.3723869    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.237440E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.112464E-14    0.100692E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.520417E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.795804E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.340405E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.867226E-16    0.974020E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.666521E-05    0.738193E+03  0.902909E-08 0.100000E-04    0.994221E+00
   8   -0.639248E-05    0.674176E+03  0.948192E-08 0.100000E-04    0.992285E+00
   9   -0.157993E-05    0.627918E+03  0.251614E-08 0.100000E-04    0.937916E+00
  10    0.263073E-05    0.603312E+03 -0.436047E-08 0.100000E-04    0.998694E+00
  11   -0.184947E-05    0.587537E+03  0.314784E-08 0.100000E-04    0.985667E+00
  12   -0.564412E-05    0.574663E+03  0.982162E-08 0.100000E-04    0.971914E+00
  13   -0.358160E-05    0.567081E+03  0.631586E-08 0.100000E-04    0.993159E+00
  14    0.186716E-05    0.484898E+03 -0.385062E-08 0.100000E-04    0.947192E+00
  15    0.197614E-05    0.463296E+03 -0.426540E-08 0.100000E-04    0.980728E+00
  16    0.727367E-05    0.460828E+03 -0.157839E-07 0.100000E-04    0.998362E+00
  17    0.451735E-05    0.441558E+03 -0.102305E-07 0.100000E-04    0.986298E+00
  18    0.469421E-05    0.429153E+03 -0.109383E-07 0.100000E-04    0.983698E+00
  19   -0.189407E-04    0.422058E+03  0.448770E-07 0.100000E-04    0.999757E+00
  20    0.546102E-05    0.408431E+03 -0.133707E-07 0.100000E-04    0.982879E+00
  21    0.576871E-05    0.397011E+03 -0.145304E-07 0.100000E-04    0.986765E+00
  22   -0.104676E-04    0.388632E+03  0.269345E-07 0.100000E-04    0.990642E+00
  23    0.150795E-05    0.368562E+03 -0.409145E-08 0.100000E-04    0.929047E+00
  24   -0.471393E-05    0.361123E+03  0.130535E-07 0.100000E-04    0.978677E+00
  25   -0.229608E-04    0.350279E+03  0.655502E-07 0.100000E-04    0.999218E+00
  26   -0.358855E-04    0.335187E+03  0.107061E-06 0.100000E-04    0.999610E+00
  27   -0.176709E-04    0.327052E+03  0.540309E-07 0.100000E-04    0.998076E+00
  28    0.129679E-04    0.321536E+03 -0.403309E-07 0.100000E-04    0.993786E+00
  29    0.248089E-04    0.320023E+03 -0.775222E-07 0.100000E-04    0.992330E+00
  30   -0.245915E-04    0.311119E+03  0.790419E-07 0.100000E-04    0.998459E+00
  31   -0.207905E-04    0.302871E+03  0.686446E-07 0.100000E-04    0.994488E+00
  32   -0.941905E-05    0.289324E+03  0.325554E-07 0.100000E-04    0.986168E+00
  33    0.144361E-04    0.278452E+03 -0.518441E-07 0.100000E-04    0.997524E+00
  34    0.158069E-04    0.271259E+03 -0.582724E-07 0.100000E-04    0.994372E+00
  35    0.248082E-04    0.267500E+03 -0.927411E-07 0.100000E-04    0.997383E+00
  36    0.223216E-04    0.264636E+03 -0.843484E-07 0.100000E-04    0.992569E+00
  37   -0.209164E-04    0.260895E+03  0.801716E-07 0.100000E-04    0.999225E+00
  38    0.308988E-05    0.253899E+03 -0.121697E-07 0.100000E-04    0.972562E+00
  39   -0.215169E-04    0.241931E+03  0.889384E-07 0.100000E-04    0.999968E+00
  40   -0.235717E-04    0.239223E+03  0.985344E-07 0.100000E-04    0.988586E+00
  41   -0.459058E-04    0.234204E+03  0.196008E-06 0.100000E-04    0.996487E+00
  42   -0.176208E-04    0.228105E+03  0.772487E-07 0.100000E-04    0.988400E+00
  43   -0.193396E-04    0.218623E+03  0.884606E-07 0.100000E-04    0.995361E+00
  44   -0.353042E-04    0.214324E+03  0.164723E-06 0.100000E-04    0.991653E+00
  45    0.259420E-05    0.212792E+03 -0.121912E-07 0.100000E-04    0.983530E+00
  46    0.319270E-04    0.207166E+03 -0.154114E-06 0.100000E-04    0.995200E+00
  47   -0.286185E-04    0.203539E+03  0.140604E-06 0.100000E-04    0.998943E+00
  48    0.658949E-05    0.196901E+03 -0.334661E-07 0.100000E-04    0.992938E+00
  49    0.295437E-04    0.195006E+03 -0.151501E-06 0.100000E-04    0.996781E+00
  50    0.845939E-05    0.191403E+03 -0.441967E-07 0.100000E-04    0.981724E+00
  51   -0.181913E-04    0.183555E+03  0.991054E-07 0.100000E-04    0.999365E+00
  52   -0.614871E-05    0.174376E+03  0.352613E-07 0.100000E-04    0.995961E+00
  53    0.148617E-04    0.172210E+03 -0.862998E-07 0.100000E-04    0.997122E+00
  54    0.224044E-04    0.167686E+03 -0.133609E-06 0.100000E-04    0.998545E+00
  55   -0.221436E-04    0.164419E+03  0.134678E-06 0.100000E-04    0.997134E+00
  56   -0.655808E-05    0.158178E+03  0.414602E-07 0.100000E-04    0.976378E+00
  57    0.142163E-04    0.154338E+03 -0.921115E-07 0.100000E-04    0.997792E+00
  58   -0.266848E-04    0.151763E+03  0.175832E-06 0.100000E-04    0.998631E+00
  59   -0.517559E-05    0.147976E+03  0.349759E-07 0.100000E-04    0.976481E+00
  60   -0.248033E-04    0.143427E+03  0.172933E-06 0.100000E-04    0.997897E+00
  61    0.345661E-04    0.137368E+03 -0.251631E-06 0.100000E-04    0.997897E+00
  62    0.254296E-04    0.135935E+03 -0.187072E-06 0.100000E-04    0.998297E+00
  63   -0.203441E-04    0.130556E+03  0.155827E-06 0.100000E-04    0.991076E+00
  64   -0.365532E-04    0.128390E+03  0.284704E-06 0.100000E-04    0.996375E+00
  65    0.242740E-04    0.126376E+03 -0.192077E-06 0.100000E-04    0.994034E+00
  66   -0.133473E-04    0.125249E+03  0.106566E-06 0.100000E-04    0.994252E+00
  67   -0.124583E-04    0.119863E+03  0.103938E-06 0.100000E-04    0.981096E+00
  68    0.912760E-05    0.118126E+03 -0.772702E-07 0.100000E-04    0.992159E+00
  69   -0.767951E-05    0.117103E+03  0.655791E-07 0.100000E-04    0.997570E+00
  70   -0.308745E-04    0.110636E+03  0.279064E-06 0.100000E-04    0.995644E+00
  71    0.701371E-05    0.107380E+03 -0.653169E-07 0.100000E-04    0.990740E+00
  72   -0.741374E-04    0.104558E+03  0.709056E-06 0.100000E-04    0.996598E+00
  73   -0.300811E-04    0.103065E+03  0.291866E-06 0.100000E-04    0.997762E+00
  74    0.250869E-04    0.997030E+02 -0.251616E-06 0.100000E-04    0.995142E+00
  75    0.831766E-04    0.957745E+02 -0.868463E-06 0.100000E-04    0.999534E+00
  76    0.322712E-04    0.938966E+02 -0.343689E-06 0.100000E-04    0.982585E+00
  77   -0.377616E-04    0.937505E+02  0.402788E-06 0.100000E-04    0.983010E+00
  78   -0.118889E-04    0.907847E+02  0.130957E-06 0.100000E-04    0.995763E+00
  79    0.741131E-05    0.893084E+02 -0.829856E-07 0.100000E-04    0.998479E+00
  80   -0.216575E-04    0.852062E+02  0.254177E-06 0.100000E-04    0.996072E+00
  81   -0.263896E-04    0.808884E+02  0.326247E-06 0.100000E-04    0.995329E+00
  82    0.131115E-04    0.799754E+02 -0.163945E-06 0.100000E-04    0.982902E+00
  83   -0.152257E-04    0.782051E+02  0.194689E-06 0.100000E-04    0.990108E+00
  84   -0.539388E-04    0.729749E+02  0.739141E-06 0.100000E-04    0.998416E+00
  85    0.343488E-04    0.725458E+02 -0.473477E-06 0.100000E-04    0.987096E+00
  86    0.163299E-04    0.682245E+02 -0.239355E-06 0.100000E-04    0.998356E+00
  87    0.452153E-04    0.657113E+02 -0.688090E-06 0.100000E-04    0.996744E+00
  88    0.122245E-04    0.627703E+02 -0.194750E-06 0.100000E-04    0.970493E+00
  89    0.881204E-05    0.599435E+02 -0.147006E-06 0.100000E-04    0.992081E+00
  90    0.612677E-04    0.594740E+02 -0.103016E-05 0.100000E-04    0.992864E+00
  91   -0.366226E-04    0.589762E+02  0.620973E-06 0.100000E-04    0.989507E+00
  92    0.615903E-04    0.560467E+02 -0.109891E-05 0.100000E-04    0.999067E+00
  93   -0.356235E-05    0.525981E+02  0.677278E-07 0.100000E-04    0.857843E+00
  94    0.567236E-04    0.523186E+02 -0.108420E-05 0.100000E-04    0.998518E+00
  95    0.139935E-04    0.500166E+02 -0.279777E-06 0.100000E-04    0.987341E+00
  96   -0.239985E-05    0.471422E+02  0.509067E-07 0.100000E-04    0.975866E+00
  97   -0.433615E-04    0.428975E+02  0.101081E-05 0.100000E-04    0.989606E+00
  98    0.541219E-04    0.405838E+02 -0.133358E-05 0.100000E-04    0.998181E+00
  99   -0.123134E-03    0.377092E+02  0.326536E-05 0.100000E-04    0.995546E+00
 100   -0.843430E-04    0.363528E+02  0.232012E-05 0.100000E-04    0.993915E+00
 101    0.271217E-04    0.337158E+02 -0.804422E-06 0.100000E-04    0.983390E+00
 102   -0.107363E-03    0.287900E+02  0.372918E-05 0.100000E-04    0.999518E+00
 103   -0.413797E-04    0.285583E+02  0.144896E-05 0.100000E-04    0.989053E+00
 104   -0.122442E-03    0.269148E+02  0.454925E-05 0.100000E-04    0.990949E+00
 105   -0.683636E-04    0.231323E+02  0.295533E-05 0.100000E-04    0.994672E+00
 106    0.563453E-04    0.209895E+02 -0.268445E-05 0.100000E-04    0.993918E+00
 107   -0.653913E-04    0.206130E+02  0.317233E-05 0.100000E-04    0.977173E+00
 108    0.105816E-04    0.167546E+02 -0.631564E-06 0.100000E-04    0.895379E+00
 109    0.706331E-04    0.138264E+02 -0.510858E-05 0.100000E-04    0.985293E+00
 110    0.113099E-01    0.122385E+02 -0.100000E-04 0.100000E-04    0.458941E+00
 111   -0.115922E-02    0.999820E+01  0.100000E-04 0.100000E-04    0.637608E+00
 112   -0.135033E-01    0.857649E+01  0.150263E-04 0.150263E-04    0.258369E+00
 113    0.302097E-01    0.656649E+01 -0.309097E-04 0.309097E-04    0.129331E+00
 114    0.772537E+00    0.383731E+01  0.400000E-03 0.400000E-03    0.128635E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1937640294    

 Beginning of optimization cycle  405.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3350590141
 potential> RMS force:                                               0.0725712819   |gradient|=.7748492557    
 Eigenvalues of the Hessian matrix:
   738.25814    674.18266    627.93170    603.29717    587.52752    574.70491 
   567.07906    484.92520    463.27292    460.82220    441.56074    429.14645 
   422.05991    408.43556    397.00619    388.62804    368.57208    361.11540 
   350.27134    335.17999    327.06882    321.54013    320.01281    311.10250 
   302.85400    289.33485    278.44872    271.26866    267.50745    264.63950 
   260.91637    253.89687    241.92608    239.23660    234.19426    228.09778 
   218.60280    214.33129    212.79910    207.16598    203.53712    196.89083 
   195.00244    191.40147    183.54607    174.36789    172.21362    167.68939 
   164.40933    158.16584    154.34304    151.76900    147.96573    143.42892 
   137.37271    135.93572    130.55429    128.39479    126.38026    125.24309 
   119.86464    118.12629    117.10361    110.63140    107.37431    104.55536 
   103.06355     99.70215     95.77570     93.88064     93.75950     90.78843 
    89.30214     85.20920     80.88790     79.97772     78.20388     72.97833 
    72.54977     68.22333     65.70128     62.76159     59.94423     59.47005 
    58.97196     56.04641     52.59656     52.31832     50.01624     47.13565 
    42.89888     40.58657     37.71257     36.35470     33.70316     28.78983 
    28.55701     26.90725     23.13444     20.98848     20.61082     16.75331 
    13.82693     12.23849      9.99956      8.57374      6.55781      3.83164 
overlap for current and previous eigenvector    109 is        -0.9999997828
overlap for current and previous eigenvector    110 is        -0.9999996518
overlap for current and previous eigenvector    111 is         0.9999996984
overlap for current and previous eigenvector    112 is         0.9999978516
overlap for current and previous eigenvector    113 is        -0.9999978392
overlap for current and previous eigenvector    114 is        -0.9999996897
J1,K1,R1,R2,RAT=   7   7   -0.4138388883E-02     2.003960694        0.9958616111    
FOB,PFOB,DIAG,PSTEP=   -0.6692794181E-05   -0.6665208505E-05     738.2581397        0.9029092109E-08
J1,K1,R1,R2,RAT=   8   8   -0.9814512851E-02     2.009794119        0.9901854871    
FOB,PFOB,DIAG,PSTEP=   -0.6455223720E-05   -0.6392483965E-05     674.1826571        0.9481924640E-08
J1,K1,R1,R2,RAT=   9   9   -0.2025310633E-01     2.020208453        0.9797468937    
FOB,PFOB,DIAG,PSTEP=   -0.1611927069E-05   -0.1579927907E-05     627.9316971        0.2516138601E-08
J1,K1,R1,R2,RAT=  10  10    0.1322464498E-01     1.986824161        0.9867753550    
FOB,PFOB,DIAG,PSTEP=    0.2595936165E-05    0.2630725730E-05     603.2971732       -0.4360473828E-08
J1,K1,R1,R2,RAT=  11  11   -0.5091829063E-02     2.005124122        0.9949081709    
FOB,PFOB,DIAG,PSTEP=   -0.1858891589E-05   -0.1849474533E-05     587.5275165        0.3147843495E-08
J1,K1,R1,R2,RAT= 109 109     1.995798135        0.4119316789E-02    0.9957981350    
FOB,PFOB,DIAG,PSTEP=   -0.7034212920E-04    0.7063310133E-04     13.82693403       -0.5108581312E-05
J1,K1,R1,R2,RAT= 110 110     185.3485384       -0.5237973791        0.4762026209    
FOB,PFOB,DIAG,PSTEP=   -0.1137398491E-01    0.1130988001E-01     12.23849140       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3660522377         22.81927155        0.6339477623    
FOB,PFOB,DIAG,PSTEP=   -0.1122611661E-02   -0.1159215278E-02     9.999560825        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9547995350         210.5812566        0.4520046498E-01
FOB,PFOB,DIAG,PSTEP=   -0.1362629942E-01   -0.1350329075E-01     8.573744987        0.1502633124E-04
J1,K1,R1,R2,RAT= 113 113     298.8494183       -0.7770156300        0.2229843700    
FOB,PFOB,DIAG,PSTEP=   -0.3036716417E-01    0.3020966298E-01     6.557813629       -0.3090971763E-04
J1,K1,R1,R2,RAT= 114 114    -1009.088833        0.9867535045        0.1324649547E-01
FOB,PFOB,DIAG,PSTEP=   -0.7740495894        0.7725372349         3.831641906        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001      0.00001      0.00002 
     0.00002      0.00001      0.00001      0.00003      0.00001     -0.00002 
    -0.00003     -0.00003     -0.00002      0.00004      0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001     -0.00007 
    -0.00003      0.00002      0.00008      0.00003     -0.00004     -0.00001 
     0.00001     -0.00002     -0.00003     -0.00001      0.00002     -0.00005 
     0.00003      0.00002      0.00005      0.00001      0.00001      0.00006 
    -0.00004      0.00006     -0.00000      0.00006      0.00001      0.00000 
    -0.00004     -0.00005     -0.00012      0.00008     -0.00003     -0.00011 
    -0.00004     -0.00012      0.00007      0.00006     -0.00007      0.00001 
    -0.00007     -0.01137     -0.00112     -0.01363     -0.03037     -0.77405 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4118391096
 Log product of positive Hessian eigenvalues =          519.5112563741
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8316419056
 Unscaled step for mode    7=        0.0000000091
 Unscaled step for mode    8=        0.0000000096
 Unscaled step for mode    9=        0.0000000026
 Unscaled step for mode   10=       -0.0000000043
 Unscaled step for mode   11=        0.0000000032
 Unscaled step for mode   12=        0.0000000100
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000040
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000158
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000109
 Unscaled step for mode   19=        0.0000000449
 Unscaled step for mode   20=       -0.0000000132
 Unscaled step for mode   21=       -0.0000000144
 Unscaled step for mode   22=        0.0000000270
 Unscaled step for mode   23=       -0.0000000042
 Unscaled step for mode   24=        0.0000000131
 Unscaled step for mode   25=        0.0000000657
 Unscaled step for mode   26=        0.0000001070
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000401
 Unscaled step for mode   29=       -0.0000000779
 Unscaled step for mode   30=        0.0000000793
 Unscaled step for mode   31=        0.0000000691
 Unscaled step for mode   32=        0.0000000327
 Unscaled step for mode   33=       -0.0000000517
 Unscaled step for mode   34=       -0.0000000584
 Unscaled step for mode   35=       -0.0000000930
 Unscaled step for mode   36=       -0.0000000847
 Unscaled step for mode   37=        0.0000000802
 Unscaled step for mode   38=       -0.0000000124
 Unscaled step for mode   39=        0.0000000889
 Unscaled step for mode   40=        0.0000000992
 Unscaled step for mode   41=        0.0000001965
 Unscaled step for mode   42=        0.0000000779
 Unscaled step for mode   43=        0.0000000890
 Unscaled step for mode   44=        0.0000001657
 Unscaled step for mode   45=       -0.0000000121
 Unscaled step for mode   46=       -0.0000001547
 Unscaled step for mode   47=        0.0000001406
 Unscaled step for mode   48=       -0.0000000334
 Unscaled step for mode   49=       -0.0000001523
 Unscaled step for mode   50=       -0.0000000429
 Unscaled step for mode   51=        0.0000000995
 Unscaled step for mode   52=       -0.0000000356
 Unscaled step for mode   53=       -0.0000000863
 Unscaled step for mode   54=       -0.0000001344
 Unscaled step for mode   55=       -0.0000001350
 Unscaled step for mode   56=       -0.0000000411
 Unscaled step for mode   57=       -0.0000000925
 Unscaled step for mode   58=       -0.0000001761
 Unscaled step for mode   59=       -0.0000000349
 Unscaled step for mode   60=        0.0000001734
 Unscaled step for mode   61=        0.0000002510
 Unscaled step for mode   62=        0.0000001864
 Unscaled step for mode   63=        0.0000001539
 Unscaled step for mode   64=       -0.0000002857
 Unscaled step for mode   65=       -0.0000001914
 Unscaled step for mode   66=       -0.0000001052
 Unscaled step for mode   67=        0.0000001053
 Unscaled step for mode   68=       -0.0000000772
 Unscaled step for mode   69=        0.0000000654
 Unscaled step for mode   70=        0.0000002810
 Unscaled step for mode   71=       -0.0000000654
 Unscaled step for mode   72=        0.0000007096
 Unscaled step for mode   73=        0.0000002919
 Unscaled step for mode   74=       -0.0000002500
 Unscaled step for mode   75=       -0.0000008691
 Unscaled step for mode   76=       -0.0000003495
 Unscaled step for mode   77=        0.0000003957
 Unscaled step for mode   78=        0.0000001343
 Unscaled step for mode   79=       -0.0000000820
 Unscaled step for mode   80=        0.0000002548
 Unscaled step for mode   81=        0.0000003271
 Unscaled step for mode   82=        0.0000001674
 Unscaled step for mode   83=       -0.0000001968
 Unscaled step for mode   84=        0.0000007388
 Unscaled step for mode   85=       -0.0000004667
 Unscaled step for mode   86=       -0.0000002411
 Unscaled step for mode   87=       -0.0000006879
 Unscaled step for mode   88=       -0.0000001952
 Unscaled step for mode   89=       -0.0000001478
 Unscaled step for mode   90=       -0.0000010239
 Unscaled step for mode   91=        0.0000006282
 Unscaled step for mode   92=       -0.0000011031
 Unscaled step for mode   93=        0.0000000564
 Unscaled step for mode   94=       -0.0000010823
 Unscaled step for mode   95=       -0.0000002704
 Unscaled step for mode   96=       -0.0000000519
 Unscaled step for mode   97=        0.0000010007
 Unscaled step for mode   98=        0.0000013340
 Unscaled step for mode   99=        0.0000032516
 Unscaled step for mode  100=       -0.0000023193
 Unscaled step for mode  101=        0.0000007856
 Unscaled step for mode  102=        0.0000037231
 Unscaled step for mode  103=        0.0000014571
 Unscaled step for mode  104=        0.0000045387
 Unscaled step for mode  105=       -0.0000029624
 Unscaled step for mode  106=       -0.0000026749
 Unscaled step for mode  107=        0.0000032114
 Unscaled step for mode  108=       -0.0000005759
 Unscaled step for mode  109=        0.0000050873
 Unscaled step for mode  110=        0.0009293609
 Unscaled step for mode  111=        0.0001122661
 Unscaled step for mode  112=        0.0015893014
 Unscaled step for mode  113=        0.0046305849
 Unscaled step for mode  114=       -0.1943820974
 Largest modulus ratio of non-zero e/values=           192.6740958    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.213805E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.602274E-15    0.100692E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.209292E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.726541E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.155865E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.981610E-16    0.974022E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.669279E-05    0.738258E+03  0.906566E-08 0.100000E-04    0.995862E+00
   8   -0.645522E-05    0.674183E+03  0.957489E-08 0.100000E-04    0.990185E+00
   9   -0.161193E-05    0.627932E+03  0.256704E-08 0.100000E-04    0.979747E+00
  10    0.259594E-05    0.603297E+03 -0.430291E-08 0.100000E-04    0.986775E+00
  11   -0.185889E-05    0.587528E+03  0.316392E-08 0.100000E-04    0.994908E+00
  12   -0.573362E-05    0.574705E+03  0.997663E-08 0.100000E-04    0.984144E+00
  13   -0.361876E-05    0.567079E+03  0.638141E-08 0.100000E-04    0.989625E+00
  14    0.194435E-05    0.484925E+03 -0.400959E-08 0.100000E-04    0.958660E+00
  15    0.201171E-05    0.463273E+03 -0.434239E-08 0.100000E-04    0.982000E+00
  16    0.726164E-05    0.460822E+03 -0.157580E-07 0.100000E-04    0.998345E+00
  17    0.447668E-05    0.441561E+03 -0.101383E-07 0.100000E-04    0.990984E+00
  18    0.469895E-05    0.429146E+03 -0.109495E-07 0.100000E-04    0.998990E+00
  19   -0.189487E-04    0.422060E+03  0.448957E-07 0.100000E-04    0.999580E+00
  20    0.541136E-05    0.408436E+03 -0.132490E-07 0.100000E-04    0.990885E+00
  21    0.572505E-05    0.397006E+03 -0.144205E-07 0.100000E-04    0.992430E+00
  22   -0.104906E-04    0.388628E+03  0.269938E-07 0.100000E-04    0.997809E+00
  23    0.156518E-05    0.368572E+03 -0.424660E-08 0.100000E-04    0.962053E+00
  24   -0.474829E-05    0.361115E+03  0.131490E-07 0.100000E-04    0.992709E+00
  25   -0.230096E-04    0.350271E+03  0.656906E-07 0.100000E-04    0.997879E+00
  26   -0.358703E-04    0.335180E+03  0.107018E-06 0.100000E-04    0.999577E+00
  27   -0.176878E-04    0.327069E+03  0.540799E-07 0.100000E-04    0.999041E+00
  28    0.129082E-04    0.321540E+03 -0.401448E-07 0.100000E-04    0.995373E+00
  29    0.249279E-04    0.320013E+03 -0.778966E-07 0.100000E-04    0.995201E+00
  30   -0.246602E-04    0.311102E+03  0.792670E-07 0.100000E-04    0.997205E+00
  31   -0.209419E-04    0.302854E+03  0.691486E-07 0.100000E-04    0.992714E+00
  32   -0.945846E-05    0.289335E+03  0.326904E-07 0.100000E-04    0.995816E+00
  33    0.143927E-04    0.278449E+03 -0.516889E-07 0.100000E-04    0.996993E+00
  34    0.158361E-04    0.271269E+03 -0.583779E-07 0.100000E-04    0.998152E+00
  35    0.248853E-04    0.267507E+03 -0.930266E-07 0.100000E-04    0.996893E+00
  36    0.224109E-04    0.264639E+03 -0.846846E-07 0.100000E-04    0.996001E+00
  37   -0.209354E-04    0.260916E+03  0.802380E-07 0.100000E-04    0.999090E+00
  38    0.314043E-05    0.253897E+03 -0.123689E-07 0.100000E-04    0.983641E+00
  39   -0.215172E-04    0.241926E+03  0.889414E-07 0.100000E-04    0.999986E+00
  40   -0.237242E-04    0.239237E+03  0.991663E-07 0.100000E-04    0.993531E+00
  41   -0.460086E-04    0.234194E+03  0.196455E-06 0.100000E-04    0.997761E+00
  42   -0.177574E-04    0.228098E+03  0.778500E-07 0.100000E-04    0.992245E+00
  43   -0.194642E-04    0.218603E+03  0.890392E-07 0.100000E-04    0.993554E+00
  44   -0.355183E-04    0.214331E+03  0.165717E-06 0.100000E-04    0.993935E+00
  45    0.256615E-05    0.212799E+03 -0.120590E-07 0.100000E-04    0.989125E+00
  46    0.320395E-04    0.207166E+03 -0.154656E-06 0.100000E-04    0.996476E+00
  47   -0.286198E-04    0.203537E+03  0.140612E-06 0.100000E-04    0.999953E+00
  48    0.657009E-05    0.196891E+03 -0.333692E-07 0.100000E-04    0.997055E+00
  49    0.296914E-04    0.195002E+03 -0.152262E-06 0.100000E-04    0.995001E+00
  50    0.821286E-05    0.191401E+03 -0.429091E-07 0.100000E-04    0.970857E+00
  51   -0.182621E-04    0.183546E+03  0.994957E-07 0.100000E-04    0.996112E+00
  52    0.621197E-05    0.174368E+03 -0.356257E-07 0.100000E-04    0.989711E+00
  53    0.148676E-04    0.172214E+03 -0.863323E-07 0.100000E-04    0.999602E+00
  54    0.225308E-04    0.167689E+03 -0.134360E-06 0.100000E-04    0.994360E+00
  55    0.221913E-04    0.164409E+03 -0.134976E-06 0.100000E-04    0.997842E+00
  56    0.650425E-05    0.158166E+03 -0.411230E-07 0.100000E-04    0.991792E+00
  57    0.142691E-04    0.154343E+03 -0.924505E-07 0.100000E-04    0.996289E+00
  58    0.267267E-04    0.151769E+03 -0.176101E-06 0.100000E-04    0.998431E+00
  59    0.516989E-05    0.147966E+03 -0.349398E-07 0.100000E-04    0.998899E+00
  60   -0.248694E-04    0.143429E+03  0.173392E-06 0.100000E-04    0.997334E+00
  61   -0.344804E-04    0.137373E+03  0.250999E-06 0.100000E-04    0.997456E+00
  62   -0.253432E-04    0.135936E+03  0.186435E-06 0.100000E-04    0.996593E+00
  63   -0.200875E-04    0.130554E+03  0.153863E-06 0.100000E-04    0.987387E+00
  64    0.366776E-04    0.128395E+03 -0.285662E-06 0.100000E-04    0.996598E+00
  65    0.241924E-04    0.126380E+03 -0.191426E-06 0.100000E-04    0.996574E+00
  66    0.131817E-04    0.125243E+03 -0.105249E-06 0.100000E-04    0.987593E+00
  67   -0.126254E-04    0.119865E+03  0.105331E-06 0.100000E-04    0.986587E+00
  68    0.911640E-05    0.118126E+03 -0.771751E-07 0.100000E-04    0.998763E+00
  69   -0.765707E-05    0.117104E+03  0.653872E-07 0.100000E-04    0.997068E+00
  70   -0.310883E-04    0.110631E+03  0.281008E-06 0.100000E-04    0.993075E+00
  71    0.702672E-05    0.107374E+03 -0.654413E-07 0.100000E-04    0.998146E+00
  72   -0.741960E-04    0.104555E+03  0.709634E-06 0.100000E-04    0.999209E+00
  73   -0.300866E-04    0.103064E+03  0.291923E-06 0.100000E-04    0.999817E+00
  74    0.249256E-04    0.997022E+02 -0.250001E-06 0.100000E-04    0.993571E+00
  75    0.832425E-04    0.957757E+02 -0.869140E-06 0.100000E-04    0.999208E+00
  76    0.328140E-04    0.938806E+02 -0.349529E-06 0.100000E-04    0.983178E+00
  77   -0.371034E-04    0.937595E+02  0.395730E-06 0.100000E-04    0.982379E+00
  78   -0.121967E-04    0.907884E+02  0.134342E-06 0.100000E-04    0.974115E+00
  79    0.731991E-05    0.893021E+02 -0.819679E-07 0.100000E-04    0.987667E+00
  80   -0.217117E-04    0.852092E+02  0.254804E-06 0.100000E-04    0.997498E+00
  81   -0.264590E-04    0.808879E+02  0.327107E-06 0.100000E-04    0.997368E+00
  82   -0.133866E-04    0.799777E+02  0.167379E-06 0.100000E-04    0.979024E+00
  83    0.153890E-04    0.782039E+02 -0.196780E-06 0.100000E-04    0.989277E+00
  84   -0.539130E-04    0.729783E+02  0.738753E-06 0.100000E-04    0.999428E+00
  85    0.338583E-04    0.725498E+02 -0.466691E-06 0.100000E-04    0.985611E+00
  86    0.164470E-04    0.682233E+02 -0.241075E-06 0.100000E-04    0.992829E+00
  87    0.451965E-04    0.657013E+02 -0.687909E-06 0.100000E-04    0.999583E+00
  88    0.122499E-04    0.627616E+02 -0.195182E-06 0.100000E-04    0.997921E+00
  89    0.885750E-05    0.599442E+02 -0.147762E-06 0.100000E-04    0.994841E+00
  90    0.608939E-04    0.594700E+02 -0.102394E-05 0.100000E-04    0.993899E+00
  91   -0.370476E-04    0.589720E+02  0.628224E-06 0.100000E-04    0.988395E+00
  92    0.618229E-04    0.560464E+02 -0.110307E-05 0.100000E-04    0.996224E+00
  93   -0.296671E-05    0.525966E+02  0.564050E-07 0.100000E-04    0.832790E+00
  94    0.566264E-04    0.523183E+02 -0.108234E-05 0.100000E-04    0.998288E+00
  95    0.135222E-04    0.500162E+02 -0.270356E-06 0.100000E-04    0.966322E+00
  96    0.244523E-05    0.471356E+02 -0.518764E-07 0.100000E-04    0.981090E+00
  97   -0.429282E-04    0.428989E+02  0.100068E-05 0.100000E-04    0.989945E+00
  98   -0.541429E-04    0.405866E+02  0.133401E-05 0.100000E-04    0.999613E+00
  99   -0.122625E-03    0.377126E+02  0.325158E-05 0.100000E-04    0.995691E+00
 100    0.843162E-04    0.363547E+02 -0.231926E-05 0.100000E-04    0.999578E+00
 101   -0.264757E-04    0.337032E+02  0.785557E-06 0.100000E-04    0.976174E+00
 102   -0.107189E-03    0.287898E+02  0.372314E-05 0.100000E-04    0.998375E+00
 103   -0.416091E-04    0.285570E+02  0.145705E-05 0.100000E-04    0.994457E+00
 104   -0.122123E-03    0.269072E+02  0.453865E-05 0.100000E-04    0.997390E+00
 105    0.685346E-04    0.231344E+02 -0.296245E-05 0.100000E-04    0.997499E+00
 106    0.561428E-04    0.209885E+02 -0.267493E-05 0.100000E-04    0.996406E+00
 107   -0.661890E-04    0.206108E+02  0.321137E-05 0.100000E-04    0.987800E+00
 108    0.964819E-05    0.167533E+02 -0.575898E-06 0.100000E-04    0.911784E+00
 109   -0.703421E-04    0.138269E+02  0.508733E-05 0.100000E-04    0.995798E+00
 110   -0.113740E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.476203E+00
 111   -0.112261E-02    0.999956E+01  0.100000E-04 0.100000E-04    0.633948E+00
 112   -0.136263E-01    0.857374E+01  0.163787E-04 0.163787E-04    0.452005E-01
 113   -0.303672E-01    0.655781E+01  0.278466E-04 0.278466E-04    0.222984E+00
 114   -0.774050E+00    0.383164E+01 -0.400000E-03 0.400000E-03    0.132465E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1943820974    

 Beginning of optimization cycle  406.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3347502785
 potential> RMS force:                                               0.0727134811   |gradient|=.7763675282    
 Eigenvalues of the Hessian matrix:
   738.32364    674.18984    627.94567    603.28215    587.51825    574.74674 
   567.07747    484.95222    463.24969    460.81616    441.56374    429.14008 
   422.06160    408.43984    397.00118    388.62353    368.58258    361.10759 
   350.26346    335.17250    327.08593    321.54403    320.00258    311.08576 
   302.83695    289.34556    278.44528    271.27879    267.51497    264.64284 
   260.93728    253.89449    241.92125    239.24971    234.18467    228.09079 
   218.58225    214.33828    212.80594    207.16628    203.53529    196.88105 
   194.99864    191.39968    183.53669    174.36033    172.21722    167.69233 
   164.40006    158.15411    154.34784    151.77486    147.95576    143.43081 
   137.37703    135.93609    130.55296    128.39910    126.38457    125.23722 
   119.86608    118.12691    117.10425    110.62683    107.36901    104.55296 
   103.06238     99.70135     95.77699     93.86462     93.76847     90.79207 
    89.29594     85.21213     80.88739     79.97993     78.20266     72.98187 
    72.55384     68.22230     65.69135     62.75281     59.94494     59.46631 
    58.96767     56.04617     52.59510     52.31810     50.01589     47.12920 
    42.90020     40.58940     37.71594     36.35677     33.69061     28.78962 
    28.55570     26.89971     23.13651     20.98772     20.60835     16.75205 
    13.82751     12.23849     10.00091      8.57098      6.54914      3.82597 
overlap for current and previous eigenvector    109 is         0.9999997866
overlap for current and previous eigenvector    110 is         0.9999996563
overlap for current and previous eigenvector    111 is        -0.9999997121
overlap for current and previous eigenvector    112 is         0.9999978889
overlap for current and previous eigenvector    113 is         0.9999978703
overlap for current and previous eigenvector    114 is         0.9999996989
J1,K1,R1,R2,RAT=   7   7   -0.5958895216E-02     2.005781475        0.9940411048    
FOB,PFOB,DIAG,PSTEP=   -0.6732679379E-05   -0.6692794181E-05     738.3236366        0.9065655793E-08
J1,K1,R1,R2,RAT=   8   8    0.4356768192E-02     1.995621922        0.9956219221    
FOB,PFOB,DIAG,PSTEP=   -0.6427099507E-05   -0.6455223720E-05     674.1898405        0.9574888426E-08
J1,K1,R1,R2,RAT=   9   9    0.5339813159E-02     1.994615698        0.9946156984    
FOB,PFOB,DIAG,PSTEP=   -0.1603319489E-05   -0.1611927069E-05     627.9456652        0.2567042048E-08
J1,K1,R1,R2,RAT=  10  10   -0.2515316642E-01     2.025202982        0.9748468336    
FOB,PFOB,DIAG,PSTEP=    0.2661230553E-05    0.2595936165E-05     603.2821467       -0.4302914518E-08
J1,K1,R1,R2,RAT=  11  11   -0.1150020445E-01     2.011531753        0.9884997956    
FOB,PFOB,DIAG,PSTEP=   -0.1880268885E-05   -0.1858891589E-05     587.5182488        0.3163922602E-08
J1,K1,R1,R2,RAT= 109 109    0.2420171911E-02     1.997496814        0.9974968144    
FOB,PFOB,DIAG,PSTEP=   -0.7017188209E-04   -0.7034212920E-04     13.82750796        0.5087326595E-05
J1,K1,R1,R2,RAT= 110 110   -0.5441507715         186.4165223        0.4558492285    
FOB,PFOB,DIAG,PSTEP=   -0.1144058074E-01   -0.1137398491E-01     12.23848904        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     22.08471113        0.3654821769        0.6345178231    
FOB,PFOB,DIAG,PSTEP=    0.1086060123E-02   -0.1122611661E-02     10.00090864        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7666185694         194.8990247        0.2333814306    
FOB,PFOB,DIAG,PSTEP=   -0.1373391848E-01   -0.1362629942E-01     8.570978977        0.1637870105E-04
J1,K1,R1,R2,RAT= 113 113   -0.9024374428         333.9282252        0.9756255721E-01
FOB,PFOB,DIAG,PSTEP=   -0.3053174282E-01   -0.3036716417E-01     6.549140537        0.2784659246E-04
J1,K1,R1,R2,RAT= 114 114    0.9870380500        -1012.560784        0.1296195002E-01
FOB,PFOB,DIAG,PSTEP=   -0.7755601394       -0.7740495894         3.825967175       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
     0.00002      0.00001      0.00001      0.00003      0.00001     -0.00002 
     0.00003      0.00003      0.00002      0.00004      0.00002      0.00001 
    -0.00001     -0.00001      0.00001     -0.00003      0.00001     -0.00007 
    -0.00003      0.00002      0.00008      0.00003     -0.00004      0.00001 
     0.00001      0.00002      0.00003      0.00001     -0.00002     -0.00005 
     0.00003     -0.00002     -0.00005     -0.00001      0.00001      0.00006 
    -0.00004      0.00006      0.00000      0.00006      0.00001      0.00000 
     0.00004      0.00005      0.00012      0.00008     -0.00003     -0.00011 
     0.00004     -0.00012     -0.00007      0.00006      0.00006     -0.00001 
    -0.00007     -0.01144      0.00109     -0.01373     -0.03053     -0.77556 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4116133722
 Log product of positive Hessian eigenvalues =          519.5069421109
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8259671755
 Unscaled step for mode    7=        0.0000000091
 Unscaled step for mode    8=        0.0000000095
 Unscaled step for mode    9=        0.0000000026
 Unscaled step for mode   10=       -0.0000000044
 Unscaled step for mode   11=        0.0000000032
 Unscaled step for mode   12=        0.0000000099
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000040
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000451
 Unscaled step for mode   20=       -0.0000000133
 Unscaled step for mode   21=       -0.0000000145
 Unscaled step for mode   22=        0.0000000271
 Unscaled step for mode   23=       -0.0000000041
 Unscaled step for mode   24=        0.0000000132
 Unscaled step for mode   25=        0.0000000658
 Unscaled step for mode   26=        0.0000001072
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000401
 Unscaled step for mode   29=       -0.0000000787
 Unscaled step for mode   30=        0.0000000789
 Unscaled step for mode   31=        0.0000000691
 Unscaled step for mode   32=        0.0000000328
 Unscaled step for mode   33=       -0.0000000521
 Unscaled step for mode   34=       -0.0000000588
 Unscaled step for mode   35=       -0.0000000928
 Unscaled step for mode   36=       -0.0000000847
 Unscaled step for mode   37=        0.0000000804
 Unscaled step for mode   38=       -0.0000000126
 Unscaled step for mode   39=        0.0000000892
 Unscaled step for mode   40=        0.0000000998
 Unscaled step for mode   41=        0.0000001966
 Unscaled step for mode   42=        0.0000000779
 Unscaled step for mode   43=        0.0000000889
 Unscaled step for mode   44=        0.0000001659
 Unscaled step for mode   45=       -0.0000000128
 Unscaled step for mode   46=       -0.0000001549
 Unscaled step for mode   47=        0.0000001401
 Unscaled step for mode   48=       -0.0000000337
 Unscaled step for mode   49=       -0.0000001520
 Unscaled step for mode   50=       -0.0000000442
 Unscaled step for mode   51=        0.0000000994
 Unscaled step for mode   52=        0.0000000358
 Unscaled step for mode   53=       -0.0000000867
 Unscaled step for mode   54=       -0.0000001344
 Unscaled step for mode   55=       -0.0000001351
 Unscaled step for mode   56=       -0.0000000413
 Unscaled step for mode   57=       -0.0000000931
 Unscaled step for mode   58=       -0.0000001762
 Unscaled step for mode   59=       -0.0000000355
 Unscaled step for mode   60=        0.0000001735
 Unscaled step for mode   61=       -0.0000002531
 Unscaled step for mode   62=       -0.0000001861
 Unscaled step for mode   63=       -0.0000001551
 Unscaled step for mode   64=       -0.0000002869
 Unscaled step for mode   65=       -0.0000001930
 Unscaled step for mode   66=       -0.0000001051
 Unscaled step for mode   67=        0.0000001050
 Unscaled step for mode   68=        0.0000000774
 Unscaled step for mode   69=       -0.0000000663
 Unscaled step for mode   70=        0.0000002798
 Unscaled step for mode   71=       -0.0000000653
 Unscaled step for mode   72=        0.0000007132
 Unscaled step for mode   73=        0.0000002922
 Unscaled step for mode   74=       -0.0000002506
 Unscaled step for mode   75=       -0.0000008700
 Unscaled step for mode   76=       -0.0000003582
 Unscaled step for mode   77=        0.0000003889
 Unscaled step for mode   78=       -0.0000001341
 Unscaled step for mode   79=       -0.0000000824
 Unscaled step for mode   80=       -0.0000002538
 Unscaled step for mode   81=       -0.0000003277
 Unscaled step for mode   82=       -0.0000001671
 Unscaled step for mode   83=        0.0000001945
 Unscaled step for mode   84=        0.0000007451
 Unscaled step for mode   85=       -0.0000004679
 Unscaled step for mode   86=        0.0000002443
 Unscaled step for mode   87=        0.0000006905
 Unscaled step for mode   88=        0.0000001973
 Unscaled step for mode   89=       -0.0000001403
 Unscaled step for mode   90=       -0.0000010223
 Unscaled step for mode   91=        0.0000006442
 Unscaled step for mode   92=       -0.0000010983
 Unscaled step for mode   93=       -0.0000000497
 Unscaled step for mode   94=       -0.0000010869
 Unscaled step for mode   95=       -0.0000002749
 Unscaled step for mode   96=       -0.0000000592
 Unscaled step for mode   97=       -0.0000010143
 Unscaled step for mode   98=       -0.0000013423
 Unscaled step for mode   99=       -0.0000032649
 Unscaled step for mode  100=       -0.0000023147
 Unscaled step for mode  101=        0.0000008083
 Unscaled step for mode  102=        0.0000037404
 Unscaled step for mode  103=       -0.0000014615
 Unscaled step for mode  104=        0.0000045816
 Unscaled step for mode  105=        0.0000029751
 Unscaled step for mode  106=       -0.0000027812
 Unscaled step for mode  107=       -0.0000030644
 Unscaled step for mode  108=        0.0000006623
 Unscaled step for mode  109=        0.0000050748
 Unscaled step for mode  110=        0.0009348025
 Unscaled step for mode  111=       -0.0001085961
 Unscaled step for mode  112=        0.0016023704
 Unscaled step for mode  113=        0.0046618452
 Unscaled step for mode  114=       -0.1950014209
 Largest modulus ratio of non-zero e/values=           192.9769919    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.339138E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.113765E-14    0.100691E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.107622E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.559448E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.157480E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.580184E-15    0.974023E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.673268E-05    0.738324E+03  0.911887E-08 0.100000E-04    0.994041E+00
   8   -0.642710E-05    0.674190E+03  0.953307E-08 0.100000E-04    0.995622E+00
   9   -0.160332E-05    0.627946E+03  0.255328E-08 0.100000E-04    0.994616E+00
  10    0.266123E-05    0.603282E+03 -0.441125E-08 0.100000E-04    0.974847E+00
  11   -0.188027E-05    0.587518E+03  0.320036E-08 0.100000E-04    0.988500E+00
  12   -0.570363E-05    0.574747E+03  0.992372E-08 0.100000E-04    0.994624E+00
  13   -0.358876E-05    0.567077E+03  0.632851E-08 0.100000E-04    0.991708E+00
  14    0.195169E-05    0.484952E+03 -0.402449E-08 0.100000E-04    0.996227E+00
  15    0.200366E-05    0.463250E+03 -0.432523E-08 0.100000E-04    0.995998E+00
  16    0.730598E-05    0.460816E+03 -0.158544E-07 0.100000E-04    0.993894E+00
  17    0.453303E-05    0.441564E+03 -0.102659E-07 0.100000E-04    0.987412E+00
  18    0.470733E-05    0.429140E+03 -0.109692E-07 0.100000E-04    0.998217E+00
  19   -0.190209E-04    0.422062E+03  0.450665E-07 0.100000E-04    0.996191E+00
  20    0.542139E-05    0.408440E+03 -0.132734E-07 0.100000E-04    0.998146E+00
  21    0.573776E-05    0.397001E+03 -0.144527E-07 0.100000E-04    0.997780E+00
  22   -0.105346E-04    0.388624E+03  0.271076E-07 0.100000E-04    0.995798E+00
  23    0.149815E-05    0.368583E+03 -0.406462E-08 0.100000E-04    0.957119E+00
  24   -0.477919E-05    0.361108E+03  0.132348E-07 0.100000E-04    0.993492E+00
  25   -0.230574E-04    0.350263E+03  0.658288E-07 0.100000E-04    0.997919E+00
  26   -0.359393E-04    0.335172E+03  0.107226E-06 0.100000E-04    0.998077E+00
  27   -0.176925E-04    0.327086E+03  0.540913E-07 0.100000E-04    0.999737E+00
  28    0.128865E-04    0.321544E+03 -0.400768E-07 0.100000E-04    0.998295E+00
  29    0.251769E-04    0.320003E+03 -0.786773E-07 0.100000E-04    0.990010E+00
  30   -0.245396E-04    0.311086E+03  0.788837E-07 0.100000E-04    0.995110E+00
  31   -0.209375E-04    0.302837E+03  0.691379E-07 0.100000E-04    0.999789E+00
  32   -0.949447E-05    0.289346E+03  0.328136E-07 0.100000E-04    0.996193E+00
  33    0.144963E-04    0.278445E+03 -0.520614E-07 0.100000E-04    0.992805E+00
  34    0.159551E-04    0.271279E+03 -0.588143E-07 0.100000E-04    0.992487E+00
  35    0.248189E-04    0.267515E+03 -0.927759E-07 0.100000E-04    0.997277E+00
  36    0.224111E-04    0.264643E+03 -0.846843E-07 0.100000E-04    0.999984E+00
  37   -0.209764E-04    0.260937E+03  0.803886E-07 0.100000E-04    0.998043E+00
  38    0.319363E-05    0.253894E+03 -0.125786E-07 0.100000E-04    0.983060E+00
  39   -0.215726E-04    0.241921E+03  0.891720E-07 0.100000E-04    0.997427E+00
  40   -0.238790E-04    0.239250E+03  0.998077E-07 0.100000E-04    0.993477E+00
  41   -0.460418E-04    0.234185E+03  0.196604E-06 0.100000E-04    0.999278E+00
  42   -0.177592E-04    0.228091E+03  0.778603E-07 0.100000E-04    0.999899E+00
  43   -0.194299E-04    0.218582E+03  0.888906E-07 0.100000E-04    0.998237E+00
  44   -0.355603E-04    0.214338E+03  0.165908E-06 0.100000E-04    0.998817E+00
  45    0.272257E-05    0.212806E+03 -0.127937E-07 0.100000E-04    0.939047E+00
  46    0.320993E-04    0.207166E+03 -0.154945E-06 0.100000E-04    0.998136E+00
  47   -0.285113E-04    0.203535E+03  0.140081E-06 0.100000E-04    0.996209E+00
  48    0.664330E-05    0.196881E+03 -0.337427E-07 0.100000E-04    0.988856E+00
  49    0.296418E-04    0.194999E+03 -0.152010E-06 0.100000E-04    0.998331E+00
  50    0.846865E-05    0.191400E+03 -0.442459E-07 0.100000E-04    0.968854E+00
  51   -0.182344E-04    0.183537E+03  0.993504E-07 0.100000E-04    0.998488E+00
  52   -0.624891E-05    0.174360E+03  0.358390E-07 0.100000E-04    0.994054E+00
  53    0.149240E-04    0.172217E+03 -0.866580E-07 0.100000E-04    0.996206E+00
  54    0.225427E-04    0.167692E+03 -0.134429E-06 0.100000E-04    0.999473E+00
  55    0.222088E-04    0.164400E+03 -0.135090E-06 0.100000E-04    0.999213E+00
  56    0.653824E-05    0.158154E+03 -0.413409E-07 0.100000E-04    0.994775E+00
  57    0.143731E-04    0.154348E+03 -0.931214E-07 0.100000E-04    0.992712E+00
  58    0.267444E-04    0.151775E+03 -0.176211E-06 0.100000E-04    0.999337E+00
  59    0.525847E-05    0.147956E+03 -0.355409E-07 0.100000E-04    0.982864E+00
  60   -0.248831E-04    0.143431E+03  0.173485E-06 0.100000E-04    0.999450E+00
  61    0.347681E-04    0.137377E+03 -0.253085E-06 0.100000E-04    0.991656E+00
  62    0.252947E-04    0.135936E+03 -0.186078E-06 0.100000E-04    0.998081E+00
  63    0.202427E-04    0.130553E+03 -0.155053E-06 0.100000E-04    0.992272E+00
  64    0.368398E-04    0.128399E+03 -0.286916E-06 0.100000E-04    0.995577E+00
  65    0.243871E-04    0.126385E+03 -0.192959E-06 0.100000E-04    0.991955E+00
  66    0.131669E-04    0.125237E+03 -0.105136E-06 0.100000E-04    0.998878E+00
  67   -0.125872E-04    0.119866E+03  0.105011E-06 0.100000E-04    0.996950E+00
  68   -0.913836E-05    0.118127E+03  0.773606E-07 0.100000E-04    0.997591E+00
  69    0.776582E-05    0.117104E+03 -0.663155E-07 0.100000E-04    0.985798E+00
  70   -0.309506E-04    0.110627E+03  0.279775E-06 0.100000E-04    0.995571E+00
  71    0.700746E-05    0.107369E+03 -0.652652E-07 0.100000E-04    0.997260E+00
  72   -0.745706E-04    0.104553E+03  0.713233E-06 0.100000E-04    0.994951E+00
  73   -0.301155E-04    0.103062E+03  0.292207E-06 0.100000E-04    0.999038E+00
  74    0.249838E-04    0.997013E+02 -0.250587E-06 0.100000E-04    0.997664E+00
  75    0.833213E-04    0.957770E+02 -0.869951E-06 0.100000E-04    0.999054E+00
  76    0.336208E-04    0.938646E+02 -0.358184E-06 0.100000E-04    0.975408E+00
  77   -0.364680E-04    0.937685E+02  0.388915E-06 0.100000E-04    0.982685E+00
  78    0.121790E-04    0.907921E+02 -0.134142E-06 0.100000E-04    0.998470E+00
  79    0.735690E-05    0.892959E+02 -0.823878E-07 0.100000E-04    0.994946E+00
  80    0.216287E-04    0.852121E+02 -0.253821E-06 0.100000E-04    0.996108E+00
  81    0.265052E-04    0.808874E+02 -0.327680E-06 0.100000E-04    0.998256E+00
  82    0.133676E-04    0.799799E+02 -0.167137E-06 0.100000E-04    0.998526E+00
  83   -0.152093E-04    0.782027E+02  0.194486E-06 0.100000E-04    0.988327E+00
  84   -0.543815E-04    0.729819E+02  0.745137E-06 0.100000E-04    0.991311E+00
  85    0.339478E-04    0.725538E+02 -0.467898E-06 0.100000E-04    0.997357E+00
  86   -0.166656E-04    0.682223E+02  0.244283E-06 0.100000E-04    0.986707E+00
  87   -0.453592E-04    0.656913E+02  0.690489E-06 0.100000E-04    0.996400E+00
  88   -0.123819E-04    0.627528E+02  0.197313E-06 0.100000E-04    0.989225E+00
  89    0.840931E-05    0.599449E+02 -0.140284E-06 0.100000E-04    0.949376E+00
  90    0.607945E-04    0.594663E+02 -0.102234E-05 0.100000E-04    0.998368E+00
  91   -0.379850E-04    0.589677E+02  0.644166E-06 0.100000E-04    0.974697E+00
  92    0.615536E-04    0.560462E+02 -0.109827E-05 0.100000E-04    0.995644E+00
  93    0.261395E-05    0.525951E+02 -0.496995E-07 0.100000E-04    0.881090E+00
  94    0.568639E-04    0.523181E+02 -0.108689E-05 0.100000E-04    0.995807E+00
  95    0.137493E-04    0.500159E+02 -0.274899E-06 0.100000E-04    0.983205E+00
  96    0.279053E-05    0.471292E+02 -0.592103E-07 0.100000E-04    0.858764E+00
  97    0.435141E-04    0.429002E+02 -0.101431E-05 0.100000E-04    0.986350E+00
  98    0.544825E-04    0.405894E+02 -0.134228E-05 0.100000E-04    0.993728E+00
  99    0.123138E-03    0.377159E+02 -0.326487E-05 0.100000E-04    0.995822E+00
 100    0.841563E-04    0.363568E+02 -0.231474E-05 0.100000E-04    0.997990E+00
 101   -0.272308E-04    0.336906E+02  0.808261E-06 0.100000E-04    0.971470E+00
 102   -0.107683E-03    0.287896E+02  0.374035E-05 0.100000E-04    0.995386E+00
 103    0.417340E-04    0.285557E+02 -0.146149E-05 0.100000E-04    0.996997E+00
 104   -0.123244E-03    0.268997E+02  0.458160E-05 0.100000E-04    0.990817E+00
 105   -0.688323E-04    0.231365E+02  0.297505E-05 0.100000E-04    0.995656E+00
 106    0.583714E-04    0.209877E+02 -0.278122E-05 0.100000E-04    0.960303E+00
 107    0.631520E-04    0.206084E+02 -0.306439E-05 0.100000E-04    0.954110E+00
 108   -0.110955E-04    0.167520E+02  0.662334E-06 0.100000E-04    0.849985E+00
 109   -0.701719E-04    0.138275E+02  0.507480E-05 0.100000E-04    0.997497E+00
 110   -0.114406E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.455849E+00
 111    0.108606E-02    0.100009E+02 -0.100000E-04 0.100000E-04    0.634518E+00
 112   -0.137339E-01    0.857098E+01  0.147556E-04 0.147556E-04    0.233381E+00
 113   -0.305317E-01    0.654914E+01  0.303528E-04 0.303528E-04    0.975626E-01
 114   -0.775560E+00    0.382597E+01 -0.400000E-03 0.400000E-03    0.129620E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1950014209    

 Beginning of optimization cycle  407.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3344409998
 potential> RMS force:                                               0.0728554267   |gradient|=.7778830916    
 Eigenvalues of the Hessian matrix:
   738.38924    674.19672    627.95965    603.26731    587.50883    574.78877 
   567.07567    484.97913    463.22645    460.81013    441.56674    429.13395 
   422.06336    408.44408    396.99619    388.61907    368.59314    361.09983 
   350.25577    335.16525    327.10314    321.54789    319.99238    311.06915 
   302.81994    289.35634    278.44194    271.28909    267.52260    264.64618 
   260.95858    253.89214    241.91655    239.26292    234.17524    228.08388 
   218.56168    214.34531    212.81282    207.16668    203.53341    196.87124 
   194.99492    191.39786    183.52737    174.35284    172.22077    167.69538 
   164.39073    158.14233    154.35267    151.78071    147.94571    143.43264 
   137.38140    135.93643    130.55156    128.40345    126.38888    125.23125 
   119.86749    118.12749    117.10481    110.62226    107.36369    104.55050 
   103.06115     99.70052     95.77830     93.84856     93.77732     90.79574 
    89.28969     85.21507     80.88686     79.98220     78.20139     72.98536 
    72.55782     68.22115     65.68143     62.74392     59.94567     59.46260 
    58.96319     56.04585     52.59359     52.31783     50.01555     47.12266 
    42.90157     40.59221     37.71924     36.35865     33.67800     28.78939 
    28.55440     26.89216     23.13862     20.98712     20.60566     16.75075 
    13.82808     12.23849     10.00226      8.56826      6.54043      3.82029 
overlap for current and previous eigenvector    109 is         0.9999997838
overlap for current and previous eigenvector    110 is         0.9999996546
overlap for current and previous eigenvector    111 is         0.9999997066
overlap for current and previous eigenvector    112 is         0.9999979164
overlap for current and previous eigenvector    113 is         0.9999978971
overlap for current and previous eigenvector    114 is         0.9999996940
J1,K1,R1,R2,RAT=   7   7   -0.4415267787E-02     2.004237576        0.9955847322    
FOB,PFOB,DIAG,PSTEP=   -0.6762408602E-05   -0.6732679379E-05     738.3892395        0.9118872870E-08
J1,K1,R1,R2,RAT=   8   8   -0.9791100064E-02     2.009770697        0.9902088999    
FOB,PFOB,DIAG,PSTEP=   -0.6490028524E-05   -0.6427099507E-05     674.1967184        0.9533070838E-08
J1,K1,R1,R2,RAT=   9   9   -0.2064088543E-01     2.020596332        0.9793591146    
FOB,PFOB,DIAG,PSTEP=   -0.1636414160E-05   -0.1603319489E-05     627.9596542        0.2553277421E-08
J1,K1,R1,R2,RAT=  10  10    0.1438539247E-01     1.985663811        0.9856146075    
FOB,PFOB,DIAG,PSTEP=    0.2622948649E-05    0.2661230553E-05     603.2673051       -0.4411253620E-08
J1,K1,R1,R2,RAT=  11  11   -0.4986482200E-02     2.005018537        0.9950135178    
FOB,PFOB,DIAG,PSTEP=   -0.1889644662E-05   -0.1880268885E-05     587.5088327        0.3200358267E-08
J1,K1,R1,R2,RAT= 109 109    0.3657611012E-02     1.996259858        0.9962598582    
FOB,PFOB,DIAG,PSTEP=   -0.6991521005E-04   -0.7017188209E-04     13.82807858        0.5074803231E-05
J1,K1,R1,R2,RAT= 110 110   -0.5273113124         187.4880196        0.4726886876    
FOB,PFOB,DIAG,PSTEP=   -0.1150511567E-01   -0.1144058074E-01     12.23848674        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3705660859         21.34571819        0.6294339141    
FOB,PFOB,DIAG,PSTEP=    0.1048995122E-02    0.1086060123E-02     10.00226474       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9819132717         218.2397388        0.1808672828E-01
FOB,PFOB,DIAG,PSTEP=   -0.1385806146E-01   -0.1373391848E-01     8.568258393        0.1475558654E-04
J1,K1,R1,R2,RAT= 113 113   -0.7993268533         308.3925839        0.2006731467    
FOB,PFOB,DIAG,PSTEP=   -0.3069042537E-01   -0.3053174282E-01     6.540428819        0.3035278578E-04
J1,K1,R1,R2,RAT= 114 114    0.9866936233        -1016.041375        0.1330637668E-01
FOB,PFOB,DIAG,PSTEP=   -0.7770679208       -0.7755601394         3.820287486       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
     0.00002      0.00001      0.00001      0.00003      0.00001     -0.00002 
     0.00003      0.00003      0.00002      0.00004      0.00002      0.00001 
    -0.00001     -0.00001      0.00001      0.00003      0.00001     -0.00007 
    -0.00003      0.00002      0.00008     -0.00003     -0.00004      0.00001 
     0.00001     -0.00002      0.00003      0.00001     -0.00002     -0.00005 
    -0.00003      0.00002     -0.00005     -0.00001      0.00001      0.00006 
    -0.00004      0.00006      0.00000      0.00006      0.00001      0.00000 
     0.00004      0.00005      0.00012      0.00008     -0.00003     -0.00011 
     0.00004     -0.00012     -0.00007      0.00006      0.00006     -0.00001 
    -0.00007     -0.01151      0.00105     -0.01386     -0.03069     -0.77707 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4113933539
 Log product of positive Hessian eigenvalues =          519.5025986539
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8202874858
 Unscaled step for mode    7=        0.0000000092
 Unscaled step for mode    8=        0.0000000096
 Unscaled step for mode    9=        0.0000000026
 Unscaled step for mode   10=       -0.0000000043
 Unscaled step for mode   11=        0.0000000032
 Unscaled step for mode   12=        0.0000000101
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000042
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000158
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000451
 Unscaled step for mode   20=       -0.0000000132
 Unscaled step for mode   21=       -0.0000000143
 Unscaled step for mode   22=        0.0000000272
 Unscaled step for mode   23=       -0.0000000042
 Unscaled step for mode   24=        0.0000000133
 Unscaled step for mode   25=        0.0000000660
 Unscaled step for mode   26=        0.0000001072
 Unscaled step for mode   27=        0.0000000542
 Unscaled step for mode   28=       -0.0000000399
 Unscaled step for mode   29=       -0.0000000791
 Unscaled step for mode   30=        0.0000000790
 Unscaled step for mode   31=        0.0000000696
 Unscaled step for mode   32=        0.0000000329
 Unscaled step for mode   33=       -0.0000000519
 Unscaled step for mode   34=       -0.0000000589
 Unscaled step for mode   35=       -0.0000000930
 Unscaled step for mode   36=       -0.0000000850
 Unscaled step for mode   37=        0.0000000804
 Unscaled step for mode   38=       -0.0000000128
 Unscaled step for mode   39=        0.0000000892
 Unscaled step for mode   40=        0.0000001004
 Unscaled step for mode   41=        0.0000001971
 Unscaled step for mode   42=        0.0000000784
 Unscaled step for mode   43=        0.0000000894
 Unscaled step for mode   44=        0.0000001669
 Unscaled step for mode   45=       -0.0000000127
 Unscaled step for mode   46=       -0.0000001555
 Unscaled step for mode   47=        0.0000001401
 Unscaled step for mode   48=       -0.0000000337
 Unscaled step for mode   49=       -0.0000001528
 Unscaled step for mode   50=       -0.0000000430
 Unscaled step for mode   51=        0.0000000997
 Unscaled step for mode   52=        0.0000000362
 Unscaled step for mode   53=       -0.0000000867
 Unscaled step for mode   54=       -0.0000001351
 Unscaled step for mode   55=       -0.0000001353
 Unscaled step for mode   56=       -0.0000000410
 Unscaled step for mode   57=       -0.0000000934
 Unscaled step for mode   58=       -0.0000001764
 Unscaled step for mode   59=       -0.0000000355
 Unscaled step for mode   60=        0.0000001739
 Unscaled step for mode   61=       -0.0000002524
 Unscaled step for mode   62=       -0.0000001854
 Unscaled step for mode   63=       -0.0000001532
 Unscaled step for mode   64=       -0.0000002879
 Unscaled step for mode   65=       -0.0000001922
 Unscaled step for mode   66=       -0.0000001038
 Unscaled step for mode   67=        0.0000001063
 Unscaled step for mode   68=        0.0000000772
 Unscaled step for mode   69=       -0.0000000660
 Unscaled step for mode   70=       -0.0000002817
 Unscaled step for mode   71=       -0.0000000654
 Unscaled step for mode   72=        0.0000007139
 Unscaled step for mode   73=        0.0000002921
 Unscaled step for mode   74=       -0.0000002488
 Unscaled step for mode   75=       -0.0000008704
 Unscaled step for mode   76=        0.0000003674
 Unscaled step for mode   77=        0.0000003779
 Unscaled step for mode   78=       -0.0000001375
 Unscaled step for mode   79=       -0.0000000813
 Unscaled step for mode   80=        0.0000002544
 Unscaled step for mode   81=       -0.0000003285
 Unscaled step for mode   82=       -0.0000001706
 Unscaled step for mode   83=        0.0000001966
 Unscaled step for mode   84=        0.0000007446
 Unscaled step for mode   85=        0.0000004611
 Unscaled step for mode   86=       -0.0000002460
 Unscaled step for mode   87=        0.0000006907
 Unscaled step for mode   88=        0.0000001975
 Unscaled step for mode   89=       -0.0000001416
 Unscaled step for mode   90=       -0.0000010166
 Unscaled step for mode   91=        0.0000006522
 Unscaled step for mode   92=       -0.0000011019
 Unscaled step for mode   93=       -0.0000000390
 Unscaled step for mode   94=       -0.0000010846
 Unscaled step for mode   95=       -0.0000002654
 Unscaled step for mode   96=       -0.0000000609
 Unscaled step for mode   97=       -0.0000010044
 Unscaled step for mode   98=       -0.0000013415
 Unscaled step for mode   99=       -0.0000032508
 Unscaled step for mode  100=       -0.0000023136
 Unscaled step for mode  101=        0.0000007945
 Unscaled step for mode  102=        0.0000037344
 Unscaled step for mode  103=       -0.0000014706
 Unscaled step for mode  104=        0.0000045749
 Unscaled step for mode  105=        0.0000029858
 Unscaled step for mode  106=       -0.0000027782
 Unscaled step for mode  107=       -0.0000030934
 Unscaled step for mode  108=        0.0000006171
 Unscaled step for mode  109=        0.0000050560
 Unscaled step for mode  110=        0.0009400758
 Unscaled step for mode  111=       -0.0001048758
 Unscaled step for mode  112=        0.0016173678
 Unscaled step for mode  113=        0.0046923146
 Unscaled step for mode  114=       -0.1956217170
 Largest modulus ratio of non-zero e/values=           193.2810665    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.300324E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.870398E-15    0.100691E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.300541E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.250375E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.260209E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.541695E-15    0.974025E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.676241E-05    0.738389E+03  0.915832E-08 0.100000E-04    0.995585E+00
   8   -0.649003E-05    0.674197E+03  0.962631E-08 0.100000E-04    0.990209E+00
   9   -0.163641E-05    0.627960E+03  0.260592E-08 0.100000E-04    0.979359E+00
  10    0.262295E-05    0.603267E+03 -0.434790E-08 0.100000E-04    0.985615E+00
  11   -0.188964E-05    0.587509E+03  0.321637E-08 0.100000E-04    0.995014E+00
  12   -0.579639E-05    0.574789E+03  0.100844E-07 0.100000E-04    0.983737E+00
  13   -0.362413E-05    0.567076E+03  0.639091E-08 0.100000E-04    0.990144E+00
  14    0.202827E-05    0.484979E+03 -0.418218E-08 0.100000E-04    0.960762E+00
  15    0.203769E-05    0.463226E+03 -0.439892E-08 0.100000E-04    0.983013E+00
  16    0.729505E-05    0.460810E+03 -0.158309E-07 0.100000E-04    0.998505E+00
  17    0.448677E-05    0.441567E+03 -0.101610E-07 0.100000E-04    0.989781E+00
  18    0.471306E-05    0.429134E+03 -0.109827E-07 0.100000E-04    0.998782E+00
  19   -0.190295E-04    0.422063E+03  0.450867E-07 0.100000E-04    0.999547E+00
  20    0.537124E-05    0.408444E+03 -0.131505E-07 0.100000E-04    0.990728E+00
  21    0.569213E-05    0.396996E+03 -0.143380E-07 0.100000E-04    0.992049E+00
  22   -0.105547E-04    0.388619E+03  0.271595E-07 0.100000E-04    0.998096E+00
  23    0.155788E-05    0.368593E+03 -0.422656E-08 0.100000E-04    0.960131E+00
  24   -0.481943E-05    0.361100E+03  0.133465E-07 0.100000E-04    0.991581E+00
  25   -0.231009E-04    0.350256E+03  0.659544E-07 0.100000E-04    0.998113E+00
  26   -0.359342E-04    0.335165E+03  0.107213E-06 0.100000E-04    0.999858E+00
  27   -0.177157E-04    0.327103E+03  0.541594E-07 0.100000E-04    0.998688E+00
  28    0.128353E-04    0.321548E+03 -0.399171E-07 0.100000E-04    0.996004E+00
  29    0.253093E-04    0.319992E+03 -0.790935E-07 0.100000E-04    0.994742E+00
  30   -0.245829E-04    0.311069E+03  0.790272E-07 0.100000E-04    0.998234E+00
  31   -0.210896E-04    0.302820E+03  0.696441E-07 0.100000E-04    0.992734E+00
  32   -0.952234E-05    0.289356E+03  0.329087E-07 0.100000E-04    0.997064E+00
  33    0.144572E-04    0.278442E+03 -0.519219E-07 0.100000E-04    0.997308E+00
  34    0.159924E-04    0.271289E+03 -0.589498E-07 0.100000E-04    0.997658E+00
  35    0.248877E-04    0.267523E+03 -0.930304E-07 0.100000E-04    0.997228E+00
  36    0.224829E-04    0.264646E+03 -0.849544E-07 0.100000E-04    0.996798E+00
  37   -0.209902E-04    0.260959E+03  0.804351E-07 0.100000E-04    0.999340E+00
  38    0.325238E-05    0.253892E+03 -0.128101E-07 0.100000E-04    0.981605E+00
  39   -0.215761E-04    0.241917E+03  0.891882E-07 0.100000E-04    0.999838E+00
  40   -0.240298E-04    0.239263E+03  0.100433E-06 0.100000E-04    0.993682E+00
  41   -0.461449E-04    0.234175E+03  0.197053E-06 0.100000E-04    0.997759E+00
  42   -0.178767E-04    0.228084E+03  0.783778E-07 0.100000E-04    0.993384E+00
  43   -0.195468E-04    0.218562E+03  0.894337E-07 0.100000E-04    0.993984E+00
  44   -0.357716E-04    0.214345E+03  0.166888E-06 0.100000E-04    0.994058E+00
  45    0.270166E-05    0.212813E+03 -0.126950E-07 0.100000E-04    0.992253E+00
  46    0.322131E-04    0.207167E+03 -0.155494E-06 0.100000E-04    0.996454E+00
  47   -0.285091E-04    0.203533E+03  0.140071E-06 0.100000E-04    0.999923E+00
  48    0.662872E-05    0.196871E+03 -0.336703E-07 0.100000E-04    0.997804E+00
  49    0.297892E-04    0.194995E+03 -0.152769E-06 0.100000E-04    0.995026E+00
  50    0.823333E-05    0.191398E+03 -0.430168E-07 0.100000E-04    0.972212E+00
  51   -0.183053E-04    0.183527E+03  0.997417E-07 0.100000E-04    0.996112E+00
  52   -0.631719E-05    0.174353E+03  0.362322E-07 0.100000E-04    0.989073E+00
  53    0.149315E-04    0.172221E+03 -0.866995E-07 0.100000E-04    0.999500E+00
  54    0.226633E-04    0.167695E+03 -0.135146E-06 0.100000E-04    0.994647E+00
  55    0.222393E-04    0.164391E+03 -0.135283E-06 0.100000E-04    0.998626E+00
  56    0.648434E-05    0.158142E+03 -0.410032E-07 0.100000E-04    0.991756E+00
  57    0.144155E-04    0.154353E+03 -0.933933E-07 0.100000E-04    0.997049E+00
  58    0.267752E-04    0.151781E+03 -0.176407E-06 0.100000E-04    0.998848E+00
  59    0.525342E-05    0.147946E+03 -0.355091E-07 0.100000E-04    0.999039E+00
  60   -0.249405E-04    0.143433E+03  0.173883E-06 0.100000E-04    0.997693E+00
  61    0.346792E-04    0.137381E+03 -0.252430E-06 0.100000E-04    0.997379E+00
  62    0.252059E-04    0.135936E+03 -0.185424E-06 0.100000E-04    0.996487E+00
  63    0.200020E-04    0.130552E+03 -0.153211E-06 0.100000E-04    0.988109E+00
  64    0.369678E-04    0.128403E+03 -0.287903E-06 0.100000E-04    0.996526E+00
  65    0.242976E-04    0.126389E+03 -0.192245E-06 0.100000E-04    0.996264E+00
  66    0.130046E-04    0.125231E+03 -0.103845E-06 0.100000E-04    0.987670E+00
  67   -0.127404E-04    0.119867E+03  0.106288E-06 0.100000E-04    0.987830E+00
  68   -0.911765E-05    0.118127E+03  0.771848E-07 0.100000E-04    0.997723E+00
  69    0.772923E-05    0.117105E+03 -0.660027E-07 0.100000E-04    0.995279E+00
  70    0.311586E-04    0.110622E+03 -0.281667E-06 0.100000E-04    0.993279E+00
  71    0.702450E-05    0.107364E+03 -0.654271E-07 0.100000E-04    0.997569E+00
  72   -0.746389E-04    0.104550E+03  0.713903E-06 0.100000E-04    0.999084E+00
  73   -0.301066E-04    0.103061E+03  0.292123E-06 0.100000E-04    0.999702E+00
  74    0.248042E-04    0.997005E+02 -0.248787E-06 0.100000E-04    0.992812E+00
  75    0.833671E-04    0.957783E+02 -0.870418E-06 0.100000E-04    0.999450E+00
  76   -0.344809E-04    0.938486E+02  0.367410E-06 0.100000E-04    0.974412E+00
  77   -0.354378E-04    0.937773E+02  0.377893E-06 0.100000E-04    0.971565E+00
  78    0.124877E-04    0.907957E+02 -0.137536E-06 0.100000E-04    0.974653E+00
  79    0.725996E-05    0.892897E+02 -0.813080E-07 0.100000E-04    0.986823E+00
  80   -0.216783E-04    0.852151E+02  0.254395E-06 0.100000E-04    0.997707E+00
  81    0.265684E-04    0.808869E+02 -0.328464E-06 0.100000E-04    0.997614E+00
  82    0.136418E-04    0.799822E+02 -0.170561E-06 0.100000E-04    0.979486E+00
  83   -0.153724E-04    0.782014E+02  0.196574E-06 0.100000E-04    0.989278E+00
  84   -0.543432E-04    0.729854E+02  0.744577E-06 0.100000E-04    0.999201E+00
  85   -0.334538E-04    0.725578E+02  0.461064E-06 0.100000E-04    0.985339E+00
  86    0.167817E-04    0.682211E+02 -0.245989E-06 0.100000E-04    0.993034E+00
  87   -0.453693E-04    0.656814E+02  0.690748E-06 0.100000E-04    0.999776E+00
  88   -0.123908E-04    0.627439E+02  0.197482E-06 0.100000E-04    0.999282E+00
  89    0.848849E-05    0.599457E+02 -0.141603E-06 0.100000E-04    0.990584E+00
  90    0.604469E-04    0.594626E+02 -0.101655E-05 0.100000E-04    0.994281E+00
  91   -0.384580E-04    0.589632E+02  0.652237E-06 0.100000E-04    0.987546E+00
  92    0.617557E-04    0.560459E+02 -0.110188E-05 0.100000E-04    0.996716E+00
  93    0.205112E-05    0.525936E+02 -0.389993E-07 0.100000E-04    0.784674E+00
  94    0.567413E-04    0.523178E+02 -0.108455E-05 0.100000E-04    0.997845E+00
  95    0.132761E-04    0.500155E+02 -0.265439E-06 0.100000E-04    0.965582E+00
  96    0.287186E-05    0.471227E+02 -0.609443E-07 0.100000E-04    0.970854E+00
  97    0.430912E-04    0.429016E+02 -0.100442E-05 0.100000E-04    0.990217E+00
  98    0.544563E-04    0.405922E+02 -0.134154E-05 0.100000E-04    0.999380E+00
  99    0.122619E-03    0.377192E+02 -0.325082E-05 0.100000E-04    0.995610E+00
 100    0.841205E-04    0.363586E+02 -0.231363E-05 0.100000E-04    0.999472E+00
 101   -0.267559E-04    0.336780E+02  0.794463E-06 0.100000E-04    0.982554E+00
 102   -0.107510E-03    0.287894E+02  0.373437E-05 0.100000E-04    0.998393E+00
 103    0.419907E-04    0.285544E+02 -0.147055E-05 0.100000E-04    0.993848E+00
 104   -0.123028E-03    0.268922E+02  0.457485E-05 0.100000E-04    0.998246E+00
 105   -0.690881E-04    0.231386E+02  0.298584E-05 0.100000E-04    0.996283E+00
 106    0.583071E-04    0.209871E+02 -0.277823E-05 0.100000E-04    0.998898E+00
 107    0.637415E-04    0.206057E+02 -0.309340E-05 0.100000E-04    0.990664E+00
 108   -0.103372E-04    0.167508E+02  0.617116E-06 0.100000E-04    0.931651E+00
 109   -0.699152E-04    0.138281E+02  0.505603E-05 0.100000E-04    0.996260E+00
 110   -0.115051E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.472689E+00
 111    0.104900E-02    0.100023E+02 -0.100000E-04 0.100000E-04    0.629434E+00
 112   -0.138581E-01    0.856826E+01  0.160836E-04 0.160836E-04    0.180867E-01
 113   -0.306904E-01    0.654043E+01  0.273449E-04 0.273449E-04    0.200673E+00
 114   -0.777068E+00    0.382029E+01 -0.400000E-03 0.400000E-03    0.133064E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1956217170    

 Beginning of optimization cycle  408.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3341310519
 potential> RMS force:                                               0.0729972088   |gradient|=.7793969105    
 Eigenvalues of the Hessian matrix:
   738.45474    674.20390    627.97359    603.25217    587.49963    574.83049 
   567.07404    485.00619    463.20327    460.80410    441.56981    429.12756 
   422.06503    408.44833    396.99122    388.61452    368.60372    361.09205 
   350.24791    335.15801    327.12030    321.55189    319.98186    311.05266 
   302.80278    289.36710    278.43852    271.29937    267.53011    264.64939 
   260.97964    253.88965    241.91170    239.27598    234.16576    228.07681 
   218.54115    214.35224    212.81965    207.16711    203.53151    196.86140 
   194.99109    191.39605    183.51798    174.34541    172.22425    167.69836 
   164.38143    158.13058    154.35743    151.78658    147.93574    143.43453 
   137.38573    135.93674    130.55026    128.40772    126.39321    125.22537 
   119.86891    118.12809    117.10542    110.61771    107.35847    104.54812 
   103.05992     99.69972     95.77974     93.83254     93.78603     90.79934 
    89.28348     85.21798     80.88632     79.98440     78.20015     72.98895 
    72.56188     68.22011     65.67165     62.73499     59.94639     59.45907 
    58.95867     56.04559     52.59219     52.31758     50.01520     47.11618 
    42.90293     40.59505     37.72258     36.36070     33.66544     28.78918 
    28.55308     26.88462     23.14068     20.98681     20.60270     16.74946 
    13.82865     12.23849     10.00361      8.56551      6.53172      3.81460 
overlap for current and previous eigenvector    109 is         0.9999997875
overlap for current and previous eigenvector    110 is         0.9999996589
overlap for current and previous eigenvector    111 is         0.9999997197
overlap for current and previous eigenvector    112 is         0.9999979521
overlap for current and previous eigenvector    113 is         0.9999979272
overlap for current and previous eigenvector    114 is         0.9999997031
J1,K1,R1,R2,RAT=   7   7   -0.5934879493E-02     2.005757471        0.9940651205    
FOB,PFOB,DIAG,PSTEP=   -0.6802546243E-05   -0.6762408602E-05     738.4547436        0.9158324960E-08
J1,K1,R1,R2,RAT=   8   8    0.4225245537E-02     1.995753456        0.9957534557    
FOB,PFOB,DIAG,PSTEP=   -0.6462606268E-05   -0.6490028524E-05     674.2038983        0.9626312834E-08
J1,K1,R1,R2,RAT=   9   9    0.5340876291E-02     1.994614741        0.9946147413    
FOB,PFOB,DIAG,PSTEP=   -0.1627674080E-05   -0.1636414160E-05     627.9735897        0.2605922448E-08
J1,K1,R1,R2,RAT=  10  10   -0.2458515985E-01     2.024635343        0.9754148401    
FOB,PFOB,DIAG,PSTEP=    0.2687432643E-05    0.2622948649E-05     603.2521685       -0.4347904530E-08
J1,K1,R1,R2,RAT=  11  11   -0.1155242239E-01     2.011583743        0.9884475776    
FOB,PFOB,DIAG,PSTEP=   -0.1911474293E-05   -0.1889644662E-05     587.4996322        0.3216368090E-08
J1,K1,R1,R2,RAT= 109 109    0.2403824728E-02     1.997513194        0.9975131940    
FOB,PFOB,DIAG,PSTEP=   -0.6974713917E-04   -0.6991521005E-04     13.82865234        0.5056032161E-05
J1,K1,R1,R2,RAT= 110 110   -0.5473614552         188.5626567        0.4526385448    
FOB,PFOB,DIAG,PSTEP=   -0.1157210444E-01   -0.1150511567E-01     12.23848906        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3702227700         20.60211189        0.6297772300    
FOB,PFOB,DIAG,PSTEP=    0.1011959485E-02    0.1048995122E-02     10.00360846       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7916776235         201.9769227        0.2083223765    
FOB,PFOB,DIAG,PSTEP=   -0.1396712629E-01   -0.1385806146E-01     8.565512971        0.1608358932E-04
J1,K1,R1,R2,RAT= 113 113   -0.9250109311         344.5857555        0.7498906888E-01
FOB,PFOB,DIAG,PSTEP=   -0.3085564051E-01   -0.3069042537E-01     6.531717586        0.2734485205E-04
J1,K1,R1,R2,RAT= 114 114    0.9869842310        -1019.530969        0.1301576901E-01
FOB,PFOB,DIAG,PSTEP=   -0.7785739015       -0.7770679208         3.814601688       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
     0.00002      0.00001      0.00001      0.00003     -0.00001      0.00002 
     0.00003      0.00003      0.00002      0.00004      0.00002      0.00001 
    -0.00001     -0.00001      0.00001      0.00003      0.00001     -0.00008 
    -0.00003      0.00002      0.00008     -0.00004     -0.00003      0.00001 
     0.00001     -0.00002      0.00003      0.00001     -0.00002     -0.00005 
    -0.00003     -0.00002      0.00005     -0.00001      0.00001      0.00006 
    -0.00004      0.00006      0.00000      0.00006      0.00001      0.00000 
    -0.00004      0.00005      0.00012     -0.00008      0.00003     -0.00011 
     0.00004      0.00012     -0.00007      0.00006      0.00006     -0.00001 
    -0.00007     -0.01157      0.00101     -0.01397     -0.03086     -0.77857 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4111663132
 Log product of positive Hessian eigenvalues =          519.4982614460
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8146016884
 Unscaled step for mode    7=        0.0000000092
 Unscaled step for mode    8=        0.0000000096
 Unscaled step for mode    9=        0.0000000026
 Unscaled step for mode   10=       -0.0000000045
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000100
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000042
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000103
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000453
 Unscaled step for mode   20=       -0.0000000132
 Unscaled step for mode   21=       -0.0000000144
 Unscaled step for mode   22=        0.0000000273
 Unscaled step for mode   23=       -0.0000000040
 Unscaled step for mode   24=        0.0000000134
 Unscaled step for mode   25=        0.0000000661
 Unscaled step for mode   26=        0.0000001074
 Unscaled step for mode   27=        0.0000000542
 Unscaled step for mode   28=       -0.0000000399
 Unscaled step for mode   29=       -0.0000000799
 Unscaled step for mode   30=        0.0000000786
 Unscaled step for mode   31=        0.0000000696
 Unscaled step for mode   32=        0.0000000330
 Unscaled step for mode   33=       -0.0000000523
 Unscaled step for mode   34=       -0.0000000594
 Unscaled step for mode   35=       -0.0000000928
 Unscaled step for mode   36=       -0.0000000850
 Unscaled step for mode   37=        0.0000000806
 Unscaled step for mode   38=       -0.0000000130
 Unscaled step for mode   39=        0.0000000894
 Unscaled step for mode   40=        0.0000001011
 Unscaled step for mode   41=        0.0000001972
 Unscaled step for mode   42=        0.0000000784
 Unscaled step for mode   43=        0.0000000893
 Unscaled step for mode   44=        0.0000001671
 Unscaled step for mode   45=       -0.0000000134
 Unscaled step for mode   46=       -0.0000001558
 Unscaled step for mode   47=        0.0000001395
 Unscaled step for mode   48=       -0.0000000340
 Unscaled step for mode   49=       -0.0000001525
 Unscaled step for mode   50=       -0.0000000443
 Unscaled step for mode   51=        0.0000000996
 Unscaled step for mode   52=        0.0000000365
 Unscaled step for mode   53=       -0.0000000870
 Unscaled step for mode   54=       -0.0000001352
 Unscaled step for mode   55=       -0.0000001354
 Unscaled step for mode   56=       -0.0000000412
 Unscaled step for mode   57=       -0.0000000941
 Unscaled step for mode   58=       -0.0000001765
 Unscaled step for mode   59=        0.0000000361
 Unscaled step for mode   60=       -0.0000001740
 Unscaled step for mode   61=       -0.0000002545
 Unscaled step for mode   62=       -0.0000001851
 Unscaled step for mode   63=       -0.0000001544
 Unscaled step for mode   64=       -0.0000002892
 Unscaled step for mode   65=       -0.0000001938
 Unscaled step for mode   66=       -0.0000001037
 Unscaled step for mode   67=        0.0000001060
 Unscaled step for mode   68=        0.0000000774
 Unscaled step for mode   69=       -0.0000000669
 Unscaled step for mode   70=       -0.0000002804
 Unscaled step for mode   71=       -0.0000000653
 Unscaled step for mode   72=        0.0000007175
 Unscaled step for mode   73=        0.0000002924
 Unscaled step for mode   74=       -0.0000002493
 Unscaled step for mode   75=       -0.0000008712
 Unscaled step for mode   76=        0.0000003847
 Unscaled step for mode   77=        0.0000003614
 Unscaled step for mode   78=       -0.0000001374
 Unscaled step for mode   79=       -0.0000000817
 Unscaled step for mode   80=        0.0000002534
 Unscaled step for mode   81=       -0.0000003290
 Unscaled step for mode   82=       -0.0000001703
 Unscaled step for mode   83=        0.0000001943
 Unscaled step for mode   84=        0.0000007509
 Unscaled step for mode   85=        0.0000004621
 Unscaled step for mode   86=        0.0000002492
 Unscaled step for mode   87=       -0.0000006934
 Unscaled step for mode   88=        0.0000001996
 Unscaled step for mode   89=       -0.0000001345
 Unscaled step for mode   90=       -0.0000010146
 Unscaled step for mode   91=        0.0000006682
 Unscaled step for mode   92=       -0.0000010971
 Unscaled step for mode   93=       -0.0000000322
 Unscaled step for mode   94=       -0.0000010889
 Unscaled step for mode   95=       -0.0000002699
 Unscaled step for mode   96=       -0.0000000684
 Unscaled step for mode   97=        0.0000010179
 Unscaled step for mode   98=       -0.0000013497
 Unscaled step for mode   99=       -0.0000032638
 Unscaled step for mode  100=        0.0000023092
 Unscaled step for mode  101=       -0.0000008174
 Unscaled step for mode  102=        0.0000037515
 Unscaled step for mode  103=       -0.0000014750
 Unscaled step for mode  104=       -0.0000046178
 Unscaled step for mode  105=        0.0000029990
 Unscaled step for mode  106=       -0.0000028784
 Unscaled step for mode  107=       -0.0000029440
 Unscaled step for mode  108=        0.0000007038
 Unscaled step for mode  109=        0.0000050437
 Unscaled step for mode  110=        0.0009455492
 Unscaled step for mode  111=       -0.0001011594
 Unscaled step for mode  112=        0.0016306191
 Unscaled step for mode  113=        0.0047238650
 Unscaled step for mode  114=       -0.1962432712
 Largest modulus ratio of non-zero e/values=           193.5863306    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.641848E-16    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.155659E-14    0.100691E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.179354E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.145283E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.633655E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.859501E-16    0.974027E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.680255E-05    0.738455E+03  0.921187E-08 0.100000E-04    0.994065E+00
   8   -0.646261E-05    0.674204E+03  0.958554E-08 0.100000E-04    0.995753E+00
   9   -0.162767E-05    0.627974E+03  0.259195E-08 0.100000E-04    0.994615E+00
  10    0.268743E-05    0.603252E+03 -0.445491E-08 0.100000E-04    0.975415E+00
  11   -0.191147E-05    0.587500E+03  0.325358E-08 0.100000E-04    0.988448E+00
  12   -0.576689E-05    0.574830E+03  0.100323E-07 0.100000E-04    0.994766E+00
  13   -0.359510E-05    0.567074E+03  0.633973E-08 0.100000E-04    0.991990E+00
  14    0.203623E-05    0.485006E+03 -0.419835E-08 0.100000E-04    0.996077E+00
  15    0.203110E-05    0.463203E+03 -0.438490E-08 0.100000E-04    0.996763E+00
  16    0.733931E-05    0.460804E+03 -0.159272E-07 0.100000E-04    0.993933E+00
  17    0.454287E-05    0.441570E+03 -0.102880E-07 0.100000E-04    0.987497E+00
  18    0.472175E-05    0.429128E+03 -0.110031E-07 0.100000E-04    0.998156E+00
  19   -0.191014E-04    0.422065E+03  0.452569E-07 0.100000E-04    0.996222E+00
  20    0.538107E-05    0.408448E+03 -0.131744E-07 0.100000E-04    0.998169E+00
  21    0.570402E-05    0.396991E+03 -0.143681E-07 0.100000E-04    0.997912E+00
  22   -0.105978E-04    0.388615E+03  0.272707E-07 0.100000E-04    0.995918E+00
  23    0.149110E-05    0.368604E+03 -0.404528E-08 0.100000E-04    0.957081E+00
  24   -0.485021E-05    0.361092E+03  0.134321E-07 0.100000E-04    0.993614E+00
  25   -0.231485E-04    0.350248E+03  0.660917E-07 0.100000E-04    0.997942E+00
  26   -0.360033E-04    0.335158E+03  0.107422E-06 0.100000E-04    0.998077E+00
  27   -0.177215E-04    0.327120E+03  0.541742E-07 0.100000E-04    0.999674E+00
  28    0.128148E-04    0.321552E+03 -0.398528E-07 0.100000E-04    0.998377E+00
  29    0.255568E-04    0.319982E+03 -0.798695E-07 0.100000E-04    0.990222E+00
  30   -0.244605E-04    0.311053E+03  0.786380E-07 0.100000E-04    0.995021E+00
  31   -0.210849E-04    0.302803E+03  0.696323E-07 0.100000E-04    0.999774E+00
  32   -0.955687E-05    0.289367E+03  0.330268E-07 0.100000E-04    0.996374E+00
  33    0.145598E-04    0.278439E+03 -0.522910E-07 0.100000E-04    0.992903E+00
  34    0.161117E-04    0.271299E+03 -0.593873E-07 0.100000E-04    0.992541E+00
  35    0.248222E-04    0.267530E+03 -0.927830E-07 0.100000E-04    0.997313E+00
  36    0.224825E-04    0.264649E+03 -0.849520E-07 0.100000E-04    0.999959E+00
  37   -0.210302E-04    0.260980E+03  0.805816E-07 0.100000E-04    0.998098E+00
  38    0.330552E-05    0.253890E+03 -0.130195E-07 0.100000E-04    0.983659E+00
  39   -0.216307E-04    0.241912E+03  0.894158E-07 0.100000E-04    0.997468E+00
  40   -0.241838E-04    0.239276E+03  0.101071E-06 0.100000E-04    0.993593E+00
  41   -0.461780E-04    0.234166E+03  0.197202E-06 0.100000E-04    0.999283E+00
  42   -0.178772E-04    0.228077E+03  0.783823E-07 0.100000E-04    0.999974E+00
  43   -0.195111E-04    0.218541E+03  0.892787E-07 0.100000E-04    0.998173E+00
  44   -0.358148E-04    0.214352E+03  0.167084E-06 0.100000E-04    0.998793E+00
  45    0.285741E-05    0.212820E+03 -0.134265E-07 0.100000E-04    0.942349E+00
  46    0.322732E-04    0.207167E+03 -0.155783E-06 0.100000E-04    0.998136E+00
  47   -0.284010E-04    0.203532E+03  0.139541E-06 0.100000E-04    0.996209E+00
  48    0.670244E-05    0.196861E+03 -0.340465E-07 0.100000E-04    0.988878E+00
  49    0.297411E-04    0.194991E+03 -0.152525E-06 0.100000E-04    0.998384E+00
  50    0.848698E-05    0.191396E+03 -0.443425E-07 0.100000E-04    0.969192E+00
  51   -0.182789E-04    0.183518E+03  0.996029E-07 0.100000E-04    0.998558E+00
  52   -0.635613E-05    0.174345E+03  0.364571E-07 0.100000E-04    0.993835E+00
  53    0.149868E-04    0.172224E+03 -0.870191E-07 0.100000E-04    0.996294E+00
  54    0.226768E-04    0.167698E+03 -0.135223E-06 0.100000E-04    0.999408E+00
  55    0.222558E-04    0.164381E+03 -0.135391E-06 0.100000E-04    0.999261E+00
  56    0.651709E-05    0.158131E+03 -0.412134E-07 0.100000E-04    0.994949E+00
  57    0.145195E-04    0.154357E+03 -0.940643E-07 0.100000E-04    0.992785E+00
  58    0.267912E-04    0.151787E+03 -0.176506E-06 0.100000E-04    0.999404E+00
  59   -0.534089E-05    0.147936E+03  0.361028E-07 0.100000E-04    0.983349E+00
  60    0.249542E-04    0.143435E+03 -0.173977E-06 0.100000E-04    0.999448E+00
  61    0.349637E-04    0.137386E+03 -0.254493E-06 0.100000E-04    0.991796E+00
  62    0.251565E-04    0.135937E+03 -0.185060E-06 0.100000E-04    0.998033E+00
  63    0.201557E-04    0.130550E+03 -0.154391E-06 0.100000E-04    0.992312E+00
  64    0.371308E-04    0.128408E+03 -0.289163E-06 0.100000E-04    0.995591E+00
  65    0.244891E-04    0.126393E+03 -0.193754E-06 0.100000E-04    0.992119E+00
  66    0.129892E-04    0.125225E+03 -0.103726E-06 0.100000E-04    0.998815E+00
  67   -0.127028E-04    0.119869E+03  0.105973E-06 0.100000E-04    0.997027E+00
  68   -0.913865E-05    0.118128E+03  0.773622E-07 0.100000E-04    0.997697E+00
  69    0.783569E-05    0.117105E+03 -0.669114E-07 0.100000E-04    0.986226E+00
  70    0.310219E-04    0.110618E+03 -0.280443E-06 0.100000E-04    0.995613E+00
  71    0.700547E-05    0.107358E+03 -0.652531E-07 0.100000E-04    0.997291E+00
  72   -0.750114E-04    0.104548E+03  0.717482E-06 0.100000E-04    0.995009E+00
  73   -0.301348E-04    0.103060E+03  0.292401E-06 0.100000E-04    0.999061E+00
  74    0.248582E-04    0.996997E+02 -0.249331E-06 0.100000E-04    0.997823E+00
  75    0.834440E-04    0.957797E+02 -0.871207E-06 0.100000E-04    0.999078E+00
  76   -0.360966E-04    0.938325E+02  0.384692E-06 0.100000E-04    0.953135E+00
  77   -0.338952E-04    0.937860E+02  0.361410E-06 0.100000E-04    0.956289E+00
  78    0.124728E-04    0.907993E+02 -0.137367E-06 0.100000E-04    0.998728E+00
  79    0.729470E-05    0.892835E+02 -0.817027E-07 0.100000E-04    0.995215E+00
  80   -0.215948E-04    0.852180E+02  0.253407E-06 0.100000E-04    0.996083E+00
  81    0.266134E-04    0.808863E+02 -0.329022E-06 0.100000E-04    0.998308E+00
  82    0.136236E-04    0.799844E+02 -0.170329E-06 0.100000E-04    0.998612E+00
  83   -0.151946E-04    0.782002E+02  0.194304E-06 0.100000E-04    0.988433E+00
  84   -0.548094E-04    0.729890E+02  0.750927E-06 0.100000E-04    0.991422E+00
  85   -0.335323E-04    0.725619E+02  0.462120E-06 0.100000E-04    0.997655E+00
  86   -0.169991E-04    0.682201E+02  0.249180E-06 0.100000E-04    0.987044E+00
  87    0.455373E-04    0.656716E+02 -0.693410E-06 0.100000E-04    0.996296E+00
  88   -0.125222E-04    0.627350E+02  0.199605E-06 0.100000E-04    0.989393E+00
  89    0.806460E-05    0.599464E+02 -0.134530E-06 0.100000E-04    0.950039E+00
  90    0.603258E-04    0.594591E+02 -0.101458E-05 0.100000E-04    0.997997E+00
  91   -0.393937E-04    0.589587E+02  0.668157E-06 0.100000E-04    0.975668E+00
  92    0.614856E-04    0.560456E+02 -0.109706E-05 0.100000E-04    0.995626E+00
  93    0.169218E-05    0.525922E+02 -0.321755E-07 0.100000E-04    0.825000E+00
  94    0.569670E-04    0.523176E+02 -0.108887E-05 0.100000E-04    0.996023E+00
  95    0.134980E-04    0.500152E+02 -0.269878E-06 0.100000E-04    0.983286E+00
  96    0.322281E-05    0.471162E+02 -0.684013E-07 0.100000E-04    0.877779E+00
  97   -0.436712E-04    0.429029E+02  0.101791E-05 0.100000E-04    0.986541E+00
  98    0.547898E-04    0.405951E+02 -0.134967E-05 0.100000E-04    0.993876E+00
  99    0.123120E-03    0.377226E+02 -0.326381E-05 0.100000E-04    0.995915E+00
 100   -0.839658E-04    0.363607E+02  0.230925E-05 0.100000E-04    0.998048E+00
 101    0.275185E-04    0.336654E+02 -0.817410E-06 0.100000E-04    0.971490E+00
 102   -0.108002E-03    0.287892E+02  0.375146E-05 0.100000E-04    0.995430E+00
 103    0.421164E-04    0.285531E+02 -0.147502E-05 0.100000E-04    0.997007E+00
 104    0.124149E-03    0.268846E+02 -0.461783E-05 0.100000E-04    0.990886E+00
 105   -0.693994E-04    0.231407E+02  0.299902E-05 0.100000E-04    0.995495E+00
 106    0.604074E-04    0.209868E+02 -0.287835E-05 0.100000E-04    0.963977E+00
 107    0.606542E-04    0.206027E+02 -0.294399E-05 0.100000E-04    0.951559E+00
 108   -0.117878E-04    0.167495E+02  0.703772E-06 0.100000E-04    0.859657E+00
 109   -0.697471E-04    0.138287E+02  0.504367E-05 0.100000E-04    0.997513E+00
 110   -0.115721E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.452639E+00
 111    0.101196E-02    0.100036E+02 -0.100000E-04 0.100000E-04    0.629777E+00
 112   -0.139671E-01    0.856551E+01  0.144897E-04 0.144897E-04    0.208322E+00
 113   -0.308556E-01    0.653172E+01  0.298059E-04 0.298059E-04    0.749891E-01
 114   -0.778574E+00    0.381460E+01 -0.400000E-03 0.400000E-03    0.130158E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1962432712    

 Beginning of optimization cycle  409.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3338205620
 potential> RMS force:                                               0.0731387376   |gradient|=.7809080242    
 Eigenvalues of the Hessian matrix:
   738.52035    674.21078    627.98755    603.23721    587.49029    574.87240 
   567.07220    485.03315    463.18010    460.79808    441.57288    429.12140 
   422.06675    408.45255    396.98626    388.61002    368.61436    361.08432 
   350.24024    335.15101    327.13757    321.55585    319.97138    311.03629 
   302.78566    289.37794    278.43520    271.30982    267.53772    264.65259 
   261.00108    253.88719    241.90697    239.28914    234.15644    228.06982 
   218.52061    214.35922    212.82653    207.16764    203.52957    196.85154 
   194.98735    191.39420    183.50866    174.33805    172.22769    167.70145 
   164.37208    158.11877    154.36222    151.79244    147.92569    143.43636 
   137.39013    135.93703    130.54889    128.41203    126.39753    125.21939 
   119.87030    118.12866    117.10596    110.61318    107.35322    104.54567 
   103.05865     99.69889     95.78121     93.81681     93.79430     90.80297 
    89.27722     85.22090     80.88578     79.98664     78.19888     72.99250 
    72.56586     68.21896     65.66187     62.72594     59.94712     59.45556 
    58.95396     56.04526     52.59075     52.31728     50.01485     47.10961 
    42.90433     40.59788     37.72584     36.36256     33.65284     28.78895 
    28.55177     26.87708     23.14279     20.98664     20.59952     16.74813 
    13.82922     12.23849     10.00496      8.56281      6.52297      3.80891 
overlap for current and previous eigenvector    109 is         0.9999997848
overlap for current and previous eigenvector    110 is         0.9999996573
overlap for current and previous eigenvector    111 is         0.9999997144
overlap for current and previous eigenvector    112 is         0.9999979795
overlap for current and previous eigenvector    113 is         0.9999979539
overlap for current and previous eigenvector    114 is         0.9999996983
J1,K1,R1,R2,RAT=   7   7   -0.4394354823E-02     2.004216676        0.9956056452    
FOB,PFOB,DIAG,PSTEP=   -0.6832441701E-05   -0.6802546243E-05     738.5203534        0.9211866133E-08
J1,K1,R1,R2,RAT=   8   8   -0.9641586439E-02     2.009621178        0.9903584136    
FOB,PFOB,DIAG,PSTEP=   -0.6524916680E-05   -0.6462606268E-05     674.2107780        0.9585536785E-08
J1,K1,R1,R2,RAT=   9   9   -0.2047345775E-01     2.020429005        0.9795265422    
FOB,PFOB,DIAG,PSTEP=   -0.1660998937E-05   -0.1627674080E-05     627.9875475        0.2591946710E-08
J1,K1,R1,R2,RAT=  10  10    0.1391388071E-01     1.986135709        0.9860861193    
FOB,PFOB,DIAG,PSTEP=    0.2650040953E-05    0.2687432643E-05     603.2372113       -0.4454907555E-08
J1,K1,R1,R2,RAT=  11  11   -0.5084010726E-02     2.005115821        0.9949159893    
FOB,PFOB,DIAG,PSTEP=   -0.1921192095E-05   -0.1911474293E-05     587.4902882        0.3253575302E-08
J1,K1,R1,R2,RAT= 109 109    0.3610986928E-02     1.996306508        0.9963065084    
FOB,PFOB,DIAG,PSTEP=   -0.6949527277E-04   -0.6974713917E-04     13.82922283        0.5043668568E-05
J1,K1,R1,R2,RAT= 110 110   -0.5308030680         189.6407866        0.4691969320    
FOB,PFOB,DIAG,PSTEP=   -0.1163706673E-01   -0.1157210444E-01     12.23849130        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3751944914         19.85396130        0.6248055086    
FOB,PFOB,DIAG,PSTEP=    0.9744214262E-03    0.1011959485E-02     10.00496013       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    -1.009798155         226.1539125        0.9798154972E-02
FOB,PFOB,DIAG,PSTEP=   -0.1409241474E-01   -0.1396712629E-01     8.562813026        0.1448972011E-04
J1,K1,R1,R2,RAT= 113 113   -0.8207742225         318.2282717        0.1792257775    
FOB,PFOB,DIAG,PSTEP=   -0.3101521780E-01   -0.3085564051E-01     6.522968853        0.2980588874E-04
J1,K1,R1,R2,RAT= 114 114    0.9866387788        -1023.029246        0.1336122124E-01
FOB,PFOB,DIAG,PSTEP=   -0.7800771092       -0.7785739015         3.808911173       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
     0.00002      0.00001      0.00001      0.00003     -0.00001      0.00003 
     0.00003      0.00003     -0.00002     -0.00004     -0.00002     -0.00001 
     0.00001      0.00001     -0.00001     -0.00003     -0.00001      0.00008 
     0.00003     -0.00002      0.00008      0.00004     -0.00003      0.00001 
     0.00001      0.00002      0.00003      0.00001     -0.00002     -0.00005 
     0.00003      0.00002      0.00005     -0.00001      0.00001      0.00006 
    -0.00004      0.00006     -0.00000     -0.00006     -0.00001     -0.00000 
     0.00004      0.00005      0.00012     -0.00008      0.00003     -0.00011 
     0.00004      0.00012     -0.00007     -0.00006     -0.00006     -0.00001 
    -0.00007     -0.01164      0.00097     -0.01409     -0.03102     -0.78008 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4109448583
 Log product of positive Hessian eigenvalues =          519.4938955793
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8089111731
 Unscaled step for mode    7=        0.0000000093
 Unscaled step for mode    8=        0.0000000097
 Unscaled step for mode    9=        0.0000000026
 Unscaled step for mode   10=       -0.0000000044
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000102
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000044
 Unscaled step for mode   15=       -0.0000000045
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000110
 Unscaled step for mode   19=        0.0000000453
 Unscaled step for mode   20=       -0.0000000131
 Unscaled step for mode   21=       -0.0000000143
 Unscaled step for mode   22=        0.0000000273
 Unscaled step for mode   23=       -0.0000000042
 Unscaled step for mode   24=        0.0000000135
 Unscaled step for mode   25=        0.0000000662
 Unscaled step for mode   26=        0.0000001074
 Unscaled step for mode   27=        0.0000000542
 Unscaled step for mode   28=       -0.0000000397
 Unscaled step for mode   29=       -0.0000000803
 Unscaled step for mode   30=        0.0000000788
 Unscaled step for mode   31=        0.0000000701
 Unscaled step for mode   32=        0.0000000331
 Unscaled step for mode   33=       -0.0000000522
 Unscaled step for mode   34=       -0.0000000595
 Unscaled step for mode   35=       -0.0000000930
 Unscaled step for mode   36=       -0.0000000852
 Unscaled step for mode   37=        0.0000000806
 Unscaled step for mode   38=       -0.0000000133
 Unscaled step for mode   39=        0.0000000894
 Unscaled step for mode   40=        0.0000001017
 Unscaled step for mode   41=        0.0000001976
 Unscaled step for mode   42=        0.0000000789
 Unscaled step for mode   43=        0.0000000898
 Unscaled step for mode   44=        0.0000001681
 Unscaled step for mode   45=       -0.0000000133
 Unscaled step for mode   46=       -0.0000001563
 Unscaled step for mode   47=        0.0000001395
 Unscaled step for mode   48=       -0.0000000340
 Unscaled step for mode   49=       -0.0000001533
 Unscaled step for mode   50=       -0.0000000431
 Unscaled step for mode   51=        0.0000001000
 Unscaled step for mode   52=        0.0000000369
 Unscaled step for mode   53=       -0.0000000871
 Unscaled step for mode   54=       -0.0000001359
 Unscaled step for mode   55=       -0.0000001356
 Unscaled step for mode   56=       -0.0000000409
 Unscaled step for mode   57=       -0.0000000943
 Unscaled step for mode   58=       -0.0000001767
 Unscaled step for mode   59=        0.0000000361
 Unscaled step for mode   60=       -0.0000001744
 Unscaled step for mode   61=       -0.0000002538
 Unscaled step for mode   62=       -0.0000001844
 Unscaled step for mode   63=        0.0000001526
 Unscaled step for mode   64=        0.0000002901
 Unscaled step for mode   65=        0.0000001930
 Unscaled step for mode   66=        0.0000001024
 Unscaled step for mode   67=       -0.0000001072
 Unscaled step for mode   68=       -0.0000000772
 Unscaled step for mode   69=        0.0000000666
 Unscaled step for mode   70=        0.0000002823
 Unscaled step for mode   71=        0.0000000654
 Unscaled step for mode   72=       -0.0000007182
 Unscaled step for mode   73=       -0.0000002923
 Unscaled step for mode   74=        0.0000002475
 Unscaled step for mode   75=       -0.0000008716
 Unscaled step for mode   76=       -0.0000004236
 Unscaled step for mode   77=        0.0000003121
 Unscaled step for mode   78=       -0.0000001407
 Unscaled step for mode   79=       -0.0000000806
 Unscaled step for mode   80=       -0.0000002539
 Unscaled step for mode   81=       -0.0000003298
 Unscaled step for mode   82=       -0.0000001737
 Unscaled step for mode   83=        0.0000001963
 Unscaled step for mode   84=        0.0000007504
 Unscaled step for mode   85=       -0.0000004553
 Unscaled step for mode   86=       -0.0000002509
 Unscaled step for mode   87=       -0.0000006937
 Unscaled step for mode   88=        0.0000001998
 Unscaled step for mode   89=       -0.0000001361
 Unscaled step for mode   90=       -0.0000010087
 Unscaled step for mode   91=        0.0000006761
 Unscaled step for mode   92=       -0.0000011006
 Unscaled step for mode   93=        0.0000000215
 Unscaled step for mode   94=        0.0000010865
 Unscaled step for mode   95=        0.0000002605
 Unscaled step for mode   96=        0.0000000703
 Unscaled step for mode   97=       -0.0000010081
 Unscaled step for mode   98=       -0.0000013489
 Unscaled step for mode   99=       -0.0000032499
 Unscaled step for mode  100=        0.0000023082
 Unscaled step for mode  101=       -0.0000008038
 Unscaled step for mode  102=        0.0000037457
 Unscaled step for mode  103=       -0.0000014840
 Unscaled step for mode  104=       -0.0000046117
 Unscaled step for mode  105=        0.0000030098
 Unscaled step for mode  106=        0.0000028753
 Unscaled step for mode  107=        0.0000029731
 Unscaled step for mode  108=        0.0000006589
 Unscaled step for mode  109=        0.0000050252
 Unscaled step for mode  110=        0.0009508571
 Unscaled step for mode  111=       -0.0000973938
 Unscaled step for mode  112=        0.0016457648
 Unscaled step for mode  113=        0.0047546627
 Unscaled step for mode  114=       -0.1968657961
 Largest modulus ratio of non-zero e/values=           193.8927740    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.290566E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.828439E-15    0.100691E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.557554E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.516514E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.708905E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.101644E-16    0.974028E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.683244E-05    0.738520E+03  0.925153E-08 0.100000E-04    0.995606E+00
   8   -0.652492E-05    0.674211E+03  0.967786E-08 0.100000E-04    0.990358E+00
   9   -0.166100E-05    0.627988E+03  0.264496E-08 0.100000E-04    0.979527E+00
  10    0.265004E-05    0.603237E+03 -0.439303E-08 0.100000E-04    0.986086E+00
  11   -0.192119E-05    0.587490E+03  0.327017E-08 0.100000E-04    0.994916E+00
  12   -0.585907E-05    0.574872E+03  0.101919E-07 0.100000E-04    0.984017E+00
  13   -0.362975E-05    0.567072E+03  0.640085E-08 0.100000E-04    0.990362E+00
  14    0.211242E-05    0.485033E+03 -0.435521E-08 0.100000E-04    0.962583E+00
  15    0.206496E-05    0.463180E+03 -0.445823E-08 0.100000E-04    0.983326E+00
  16    0.732845E-05    0.460798E+03 -0.159038E-07 0.100000E-04    0.998521E+00
  17    0.449709E-05    0.441573E+03 -0.101843E-07 0.100000E-04    0.989910E+00
  18    0.472710E-05    0.429121E+03 -0.110158E-07 0.100000E-04    0.998867E+00
  19   -0.191103E-04    0.422067E+03  0.452778E-07 0.100000E-04    0.999534E+00
  20    0.533130E-05    0.408453E+03 -0.130524E-07 0.100000E-04    0.990729E+00
  21    0.565839E-05    0.396986E+03 -0.142534E-07 0.100000E-04    0.991999E+00
  22   -0.106181E-04    0.388610E+03  0.273232E-07 0.100000E-04    0.998085E+00
  23    0.155013E-05    0.368614E+03 -0.420529E-08 0.100000E-04    0.960416E+00
  24   -0.489079E-05    0.361084E+03  0.135447E-07 0.100000E-04    0.991633E+00
  25   -0.231915E-04    0.350240E+03  0.662161E-07 0.100000E-04    0.998140E+00
  26   -0.359981E-04    0.335151E+03  0.107409E-06 0.100000E-04    0.999858E+00
  27   -0.177442E-04    0.327138E+03  0.542407E-07 0.100000E-04    0.998719E+00
  28    0.127647E-04    0.321556E+03 -0.396967E-07 0.100000E-04    0.996071E+00
  29    0.256879E-04    0.319971E+03 -0.802819E-07 0.100000E-04    0.994869E+00
  30   -0.245017E-04    0.311036E+03  0.787745E-07 0.100000E-04    0.998317E+00
  31   -0.212354E-04    0.302786E+03  0.701333E-07 0.100000E-04    0.992862E+00
  32   -0.958521E-05    0.289378E+03  0.331235E-07 0.100000E-04    0.997035E+00
  33    0.145217E-04    0.278435E+03 -0.521549E-07 0.100000E-04    0.997384E+00
  34    0.161499E-04    0.271310E+03 -0.595256E-07 0.100000E-04    0.997633E+00
  35    0.248904E-04    0.267538E+03 -0.930350E-07 0.100000E-04    0.997256E+00
  36    0.225535E-04    0.264653E+03 -0.852194E-07 0.100000E-04    0.996839E+00
  37   -0.210430E-04    0.261001E+03  0.806240E-07 0.100000E-04    0.999392E+00
  38    0.336438E-05    0.253887E+03 -0.132515E-07 0.100000E-04    0.982194E+00
  39   -0.216337E-04    0.241907E+03  0.894300E-07 0.100000E-04    0.999860E+00
  40   -0.243351E-04    0.239289E+03  0.101697E-06 0.100000E-04    0.993745E+00
  41   -0.462796E-04    0.234156E+03  0.197644E-06 0.100000E-04    0.997799E+00
  42   -0.179941E-04    0.228070E+03  0.788975E-07 0.100000E-04    0.993457E+00
  43   -0.196246E-04    0.218521E+03  0.898066E-07 0.100000E-04    0.994181E+00
  44   -0.360257E-04    0.214359E+03  0.168062E-06 0.100000E-04    0.994112E+00
  45    0.284106E-05    0.212827E+03 -0.133492E-07 0.100000E-04    0.994214E+00
  46    0.323858E-04    0.207168E+03 -0.156326E-06 0.100000E-04    0.996510E+00
  47   -0.283972E-04    0.203530E+03  0.139524E-06 0.100000E-04    0.999865E+00
  48    0.668743E-05    0.196852E+03 -0.339720E-07 0.100000E-04    0.997761E+00
  49    0.298866E-04    0.194987E+03 -0.153274E-06 0.100000E-04    0.995110E+00
  50    0.825473E-05    0.191394E+03 -0.431294E-07 0.100000E-04    0.972633E+00
  51   -0.183477E-04    0.183509E+03  0.999827E-07 0.100000E-04    0.996238E+00
  52   -0.642463E-05    0.174338E+03  0.368516E-07 0.100000E-04    0.989222E+00
  53    0.149935E-04    0.172228E+03 -0.870563E-07 0.100000E-04    0.999553E+00
  54    0.227960E-04    0.167701E+03 -0.135932E-06 0.100000E-04    0.994741E+00
  55    0.222863E-04    0.164372E+03 -0.135584E-06 0.100000E-04    0.998630E+00
  56    0.646466E-05    0.158119E+03 -0.408848E-07 0.100000E-04    0.991954E+00
  57    0.145619E-04    0.154362E+03 -0.943358E-07 0.100000E-04    0.997082E+00
  58    0.268213E-04    0.151792E+03 -0.176697E-06 0.100000E-04    0.998876E+00
  59   -0.533701E-05    0.147926E+03  0.360790E-07 0.100000E-04    0.999273E+00
  60    0.250098E-04    0.143436E+03 -0.174362E-06 0.100000E-04    0.997773E+00
  61    0.348750E-04    0.137390E+03 -0.253839E-06 0.100000E-04    0.997399E+00
  62    0.250695E-04    0.135937E+03 -0.184420E-06 0.100000E-04    0.996539E+00
  63   -0.199161E-04    0.130549E+03  0.152557E-06 0.100000E-04    0.988112E+00
  64   -0.372576E-04    0.128412E+03  0.290141E-06 0.100000E-04    0.996583E+00
  65   -0.243992E-04    0.126398E+03  0.193036E-06 0.100000E-04    0.996261E+00
  66   -0.128286E-04    0.125219E+03  0.102449E-06 0.100000E-04    0.987640E+00
  67    0.128549E-04    0.119870E+03 -0.107240E-06 0.100000E-04    0.988032E+00
  68    0.911805E-05    0.118129E+03 -0.771875E-07 0.100000E-04    0.997737E+00
  69   -0.779989E-05    0.117106E+03  0.666054E-07 0.100000E-04    0.995422E+00
  70   -0.312263E-04    0.110613E+03  0.282301E-06 0.100000E-04    0.993413E+00
  71   -0.702228E-05    0.107353E+03  0.654129E-07 0.100000E-04    0.997600E+00
  72    0.750820E-04    0.104546E+03 -0.718175E-06 0.100000E-04    0.999058E+00
  73    0.301242E-04    0.103059E+03 -0.292302E-06 0.100000E-04    0.999647E+00
  74   -0.246802E-04    0.996989E+02  0.247547E-06 0.100000E-04    0.992837E+00
  75    0.834851E-04    0.957812E+02 -0.871623E-06 0.100000E-04    0.999507E+00
  76    0.397452E-04    0.938168E+02 -0.423647E-06 0.100000E-04    0.898903E+00
  77   -0.292764E-04    0.937943E+02  0.312134E-06 0.100000E-04    0.863568E+00
  78    0.127769E-04    0.908030E+02 -0.140710E-06 0.100000E-04    0.975622E+00
  79    0.719966E-05    0.892772E+02 -0.806439E-07 0.100000E-04    0.986971E+00
  80    0.216416E-04    0.852209E+02 -0.253948E-06 0.100000E-04    0.997832E+00
  81    0.266773E-04    0.808858E+02 -0.329815E-06 0.100000E-04    0.997597E+00
  82    0.138947E-04    0.799866E+02 -0.173712E-06 0.100000E-04    0.980107E+00
  83   -0.153537E-04    0.781989E+02  0.196342E-06 0.100000E-04    0.989526E+00
  84   -0.547720E-04    0.729925E+02  0.750379E-06 0.100000E-04    0.999221E+00
  85    0.330376E-04    0.725659E+02 -0.455277E-06 0.100000E-04    0.985138E+00
  86    0.171133E-04    0.682190E+02 -0.250858E-06 0.100000E-04    0.993284E+00
  87    0.455481E-04    0.656619E+02 -0.693677E-06 0.100000E-04    0.999763E+00
  88   -0.125317E-04    0.627259E+02  0.199786E-06 0.100000E-04    0.999239E+00
  89    0.815962E-05    0.599471E+02 -0.136114E-06 0.100000E-04    0.988217E+00
  90    0.599711E-04    0.594556E+02 -0.100867E-05 0.100000E-04    0.994121E+00
  91   -0.398605E-04    0.589540E+02  0.676129E-06 0.100000E-04    0.988149E+00
  92    0.616831E-04    0.560453E+02 -0.110059E-05 0.100000E-04    0.996788E+00
  93   -0.113044E-05    0.525907E+02  0.214950E-07 0.100000E-04    0.668027E+00
  94   -0.568407E-04    0.523173E+02  0.108646E-05 0.100000E-04    0.997784E+00
  95   -0.130298E-04    0.500149E+02  0.260519E-06 0.100000E-04    0.965317E+00
  96   -0.331008E-05    0.471096E+02  0.702633E-07 0.100000E-04    0.972918E+00
  97    0.432536E-04    0.429043E+02 -0.100814E-05 0.100000E-04    0.990372E+00
  98    0.547621E-04    0.405979E+02 -0.134889E-05 0.100000E-04    0.999355E+00
  99    0.122606E-03    0.377258E+02 -0.324993E-05 0.100000E-04    0.995660E+00
 100   -0.839317E-04    0.363626E+02  0.230819E-05 0.100000E-04    0.999491E+00
 101    0.270512E-04    0.336528E+02 -0.803830E-06 0.100000E-04    0.983012E+00
 102   -0.107836E-03    0.287890E+02  0.374574E-05 0.100000E-04    0.998466E+00
 103    0.423705E-04    0.285518E+02 -0.148399E-05 0.100000E-04    0.993966E+00
 104    0.123950E-03    0.268771E+02 -0.461174E-05 0.100000E-04    0.998400E+00
 105   -0.696557E-04    0.231428E+02  0.300983E-05 0.100000E-04    0.996307E+00
 106   -0.603432E-04    0.209866E+02  0.287531E-05 0.100000E-04    0.998936E+00
 107   -0.612436E-04    0.205995E+02  0.297306E-05 0.100000E-04    0.990281E+00
 108   -0.110347E-04    0.167481E+02  0.658862E-06 0.100000E-04    0.936108E+00
 109   -0.694953E-04    0.138292E+02  0.502525E-05 0.100000E-04    0.996307E+00
 110   -0.116371E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.469197E+00
 111    0.974421E-03    0.100050E+02 -0.100000E-04 0.100000E-04    0.624806E+00
 112   -0.140924E-01    0.856281E+01  0.157938E-04 0.157938E-04    0.979815E-02
 113   -0.310152E-01    0.652297E+01  0.324884E-04 0.324884E-04    0.179226E+00
 114   -0.780077E+00    0.380891E+01 -0.400000E-03 0.400000E-03    0.133612E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1968657961    

 Beginning of optimization cycle  410.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3335095790
 potential> RMS force:                                               0.0732799656   |gradient|=.7824159271    
 Eigenvalues of the Hessian matrix:
   738.58623    674.21750    628.00185    603.22196    587.48089    574.91436 
   567.06982    485.06005    463.15680    460.79202    441.57589    429.11542 
   422.06835    408.45650    396.98123    388.60528    368.62510    361.07661 
   350.23246    335.14422    327.15499    321.55981    319.96084    311.01990 
   302.76846    289.38874    278.43205    271.32034    267.54531    264.65577 
   261.02272    253.88459    241.90223    239.30236    234.14728    228.06282 
   218.50012    214.36624    212.83339    207.16827    203.52754    196.84157 
   194.98365    191.39242    183.49942    174.33078    172.23113    167.70457 
   164.36268    158.10696    154.36703    151.79825    147.91556    143.43814 
   137.39458    135.93730    130.54747    128.41635    126.40187    125.21328 
   119.87170    118.12924    117.10646    110.60869    107.34799    104.54325 
   103.05736     99.69806     95.78270     93.80676     93.79675     90.80662 
    89.27092     85.22387     80.88525     79.98896     78.19760     72.99606 
    72.56973     68.21779     65.65209     62.71680     59.94788     59.45213 
    58.94917     56.04492     52.58933     52.31691     50.01458     47.10298 
    42.90583     40.60071     37.72908     36.36440     33.64020     28.78876 
    28.55048     26.86958     23.14488     20.98668     20.59615     16.74679 
    13.82980     12.23850     10.00630      8.56034      6.51426      3.80321 
overlap for current and previous eigenvector    109 is         0.9999997884
overlap for current and previous eigenvector    110 is         0.9999996615
overlap for current and previous eigenvector    111 is         0.9999997163
overlap for current and previous eigenvector    112 is         0.9999981288
overlap for current and previous eigenvector    113 is         0.9999980835
overlap for current and previous eigenvector    114 is         0.9999996821
J1,K1,R1,R2,RAT=   7   7   -0.5337779689E-02     2.005159396        0.9946622203    
FOB,PFOB,DIAG,PSTEP=   -0.6868915022E-05   -0.6832441701E-05     738.5862292        0.9251527963E-08
J1,K1,R1,R2,RAT=   8   8   -0.8189711032E-02     2.008169760        0.9918102890    
FOB,PFOB,DIAG,PSTEP=   -0.6578354395E-05   -0.6524916680E-05     674.2175035        0.9677858755E-08
J1,K1,R1,R2,RAT=   9   9   -0.5972914666E-01     2.059683601        0.9402708533    
FOB,PFOB,DIAG,PSTEP=   -0.1760211246E-05   -0.1660998937E-05     628.0018489        0.2644955213E-08
J1,K1,R1,R2,RAT=  10  10   -0.1150864803E-02     2.001201441        0.9988491352    
FOB,PFOB,DIAG,PSTEP=    0.2653090714E-05    0.2650040953E-05     603.2219571       -0.4393032961E-08
J1,K1,R1,R2,RAT=  11  11    0.1544625245E-01     1.984585733        0.9845537475    
FOB,PFOB,DIAG,PSTEP=   -0.1891517351E-05   -0.1921192095E-05     587.4808927        0.3270168262E-08
J1,K1,R1,R2,RAT= 109 109   -0.1407337542E-01     2.013989466        0.9859266246    
FOB,PFOB,DIAG,PSTEP=   -0.7047334687E-04   -0.6949527277E-04     13.82980306        0.5025247883E-05
J1,K1,R1,R2,RAT= 110 110   -0.5169706170         190.6884760        0.4830293830    
FOB,PFOB,DIAG,PSTEP=   -0.1170033616E-01   -0.1163706673E-01     12.23849672        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3690809067         19.10708482        0.6309190933    
FOB,PFOB,DIAG,PSTEP=    0.9374900971E-03    0.9744214262E-03     10.00629631       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9216829251         209.3889758        0.7831707494E-01
FOB,PFOB,DIAG,PSTEP=   -0.1421702650E-01   -0.1409241474E-01     8.560339530        0.1579379492E-04
J1,K1,R1,R2,RAT= 113 113   -0.7829973998         293.8800755        0.2170026002    
FOB,PFOB,DIAG,PSTEP=   -0.3118092969E-01   -0.3101521780E-01     6.514255197        0.3248841872E-04
J1,K1,R1,R2,RAT= 114 114    0.9858496261        -1026.537262        0.1415037385E-01
FOB,PFOB,DIAG,PSTEP=   -0.7815768658       -0.7800771092         3.803208203       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00001      0.00002 
     0.00002      0.00001      0.00001      0.00003     -0.00001      0.00002 
     0.00003      0.00003     -0.00002     -0.00004     -0.00002     -0.00001 
     0.00001      0.00001     -0.00001     -0.00003      0.00001      0.00008 
     0.00003     -0.00002      0.00008      0.00005      0.00001      0.00001 
     0.00001     -0.00002      0.00003      0.00001     -0.00002     -0.00005 
     0.00003      0.00002      0.00005     -0.00001      0.00001      0.00006 
    -0.00004      0.00006     -0.00000     -0.00006     -0.00001     -0.00000 
     0.00004      0.00005      0.00012      0.00008     -0.00003     -0.00011 
     0.00004      0.00012     -0.00007     -0.00006     -0.00006     -0.00001 
    -0.00007     -0.01170      0.00094     -0.01422     -0.03118     -0.78158 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4107203019
 Log product of positive Hessian eigenvalues =          519.4895519637
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.8032082032
 Unscaled step for mode    7=        0.0000000093
 Unscaled step for mode    8=        0.0000000098
 Unscaled step for mode    9=        0.0000000028
 Unscaled step for mode   10=       -0.0000000044
 Unscaled step for mode   11=        0.0000000032
 Unscaled step for mode   12=        0.0000000105
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000046
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000100
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000453
 Unscaled step for mode   20=       -0.0000000128
 Unscaled step for mode   21=       -0.0000000140
 Unscaled step for mode   22=        0.0000000276
 Unscaled step for mode   23=       -0.0000000045
 Unscaled step for mode   24=        0.0000000138
 Unscaled step for mode   25=        0.0000000662
 Unscaled step for mode   26=        0.0000001074
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000394
 Unscaled step for mode   29=       -0.0000000808
 Unscaled step for mode   30=        0.0000000790
 Unscaled step for mode   31=        0.0000000705
 Unscaled step for mode   32=        0.0000000336
 Unscaled step for mode   33=       -0.0000000522
 Unscaled step for mode   34=       -0.0000000598
 Unscaled step for mode   35=       -0.0000000933
 Unscaled step for mode   36=       -0.0000000859
 Unscaled step for mode   37=        0.0000000806
 Unscaled step for mode   38=       -0.0000000135
 Unscaled step for mode   39=        0.0000000894
 Unscaled step for mode   40=        0.0000001028
 Unscaled step for mode   41=        0.0000001983
 Unscaled step for mode   42=        0.0000000799
 Unscaled step for mode   43=        0.0000000902
 Unscaled step for mode   44=        0.0000001695
 Unscaled step for mode   45=       -0.0000000136
 Unscaled step for mode   46=       -0.0000001570
 Unscaled step for mode   47=        0.0000001397
 Unscaled step for mode   48=       -0.0000000337
 Unscaled step for mode   49=       -0.0000001538
 Unscaled step for mode   50=       -0.0000000421
 Unscaled step for mode   51=        0.0000000999
 Unscaled step for mode   52=        0.0000000370
 Unscaled step for mode   53=       -0.0000000868
 Unscaled step for mode   54=       -0.0000001361
 Unscaled step for mode   55=       -0.0000001361
 Unscaled step for mode   56=       -0.0000000419
 Unscaled step for mode   57=       -0.0000000941
 Unscaled step for mode   58=       -0.0000001771
 Unscaled step for mode   59=        0.0000000369
 Unscaled step for mode   60=       -0.0000001741
 Unscaled step for mode   61=       -0.0000002531
 Unscaled step for mode   62=       -0.0000001842
 Unscaled step for mode   63=        0.0000001507
 Unscaled step for mode   64=        0.0000002911
 Unscaled step for mode   65=        0.0000001917
 Unscaled step for mode   66=        0.0000001018
 Unscaled step for mode   67=       -0.0000001094
 Unscaled step for mode   68=       -0.0000000766
 Unscaled step for mode   69=        0.0000000665
 Unscaled step for mode   70=        0.0000002837
 Unscaled step for mode   71=       -0.0000000660
 Unscaled step for mode   72=       -0.0000007203
 Unscaled step for mode   73=       -0.0000002916
 Unscaled step for mode   74=        0.0000002463
 Unscaled step for mode   75=       -0.0000008711
 Unscaled step for mode   76=       -0.0000005162
 Unscaled step for mode   77=       -0.0000000957
 Unscaled step for mode   78=       -0.0000001401
 Unscaled step for mode   79=       -0.0000000805
 Unscaled step for mode   80=        0.0000002531
 Unscaled step for mode   81=       -0.0000003315
 Unscaled step for mode   82=       -0.0000001767
 Unscaled step for mode   83=        0.0000001945
 Unscaled step for mode   84=        0.0000007510
 Unscaled step for mode   85=       -0.0000004485
 Unscaled step for mode   86=       -0.0000002510
 Unscaled step for mode   87=       -0.0000006910
 Unscaled step for mode   88=        0.0000002058
 Unscaled step for mode   89=       -0.0000001363
 Unscaled step for mode   90=       -0.0000009997
 Unscaled step for mode   91=        0.0000006803
 Unscaled step for mode   92=       -0.0000011006
 Unscaled step for mode   93=        0.0000000089
 Unscaled step for mode   94=        0.0000010879
 Unscaled step for mode   95=        0.0000002564
 Unscaled step for mode   96=        0.0000000701
 Unscaled step for mode   97=       -0.0000009959
 Unscaled step for mode   98=       -0.0000013470
 Unscaled step for mode   99=       -0.0000032340
 Unscaled step for mode  100=       -0.0000022938
 Unscaled step for mode  101=        0.0000007811
 Unscaled step for mode  102=        0.0000037424
 Unscaled step for mode  103=       -0.0000014979
 Unscaled step for mode  104=       -0.0000046469
 Unscaled step for mode  105=        0.0000029867
 Unscaled step for mode  106=        0.0000028318
 Unscaled step for mode  107=        0.0000029312
 Unscaled step for mode  108=        0.0000005625
 Unscaled step for mode  109=        0.0000050958
 Unscaled step for mode  110=        0.0009560264
 Unscaled step for mode  111=       -0.0000936900
 Unscaled step for mode  112=        0.0016607971
 Unscaled step for mode  113=        0.0047864590
 Unscaled step for mode  114=       -0.1974895093
 Largest modulus ratio of non-zero e/values=           194.2008404    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.747015E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.607478E-15    0.100690E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.242861E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.141922E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.584838E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.882812E-15    0.974030E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.686892E-05    0.738586E+03  0.930009E-08 0.100000E-04    0.994662E+00
   8   -0.657835E-05    0.674218E+03  0.975702E-08 0.100000E-04    0.991810E+00
   9   -0.176021E-05    0.628002E+03  0.280288E-08 0.100000E-04    0.940271E+00
  10    0.265309E-05    0.603222E+03 -0.439820E-08 0.100000E-04    0.998849E+00
  11   -0.189152E-05    0.587481E+03  0.321971E-08 0.100000E-04    0.984554E+00
  12   -0.601777E-05    0.574914E+03  0.104673E-07 0.100000E-04    0.972915E+00
  13   -0.360711E-05    0.567070E+03  0.636097E-08 0.100000E-04    0.993765E+00
  14    0.220949E-05    0.485060E+03 -0.455508E-08 0.100000E-04    0.954052E+00
  15    0.202810E-05    0.463157E+03 -0.437886E-08 0.100000E-04    0.982146E+00
  16    0.731163E-05    0.460792E+03 -0.158675E-07 0.100000E-04    0.997705E+00
  17    0.442610E-05    0.441576E+03 -0.100234E-07 0.100000E-04    0.984200E+00
  18    0.464849E-05    0.429115E+03 -0.108327E-07 0.100000E-04    0.983369E+00
  19   -0.191121E-04    0.422068E+03  0.452820E-07 0.100000E-04    0.999904E+00
  20    0.523002E-05    0.408456E+03 -0.128044E-07 0.100000E-04    0.980985E+00
  21    0.557544E-05    0.396981E+03 -0.140446E-07 0.100000E-04    0.985340E+00
  22   -0.107173E-04    0.388605E+03  0.275789E-07 0.100000E-04    0.990652E+00
  23    0.165692E-05    0.368625E+03 -0.449488E-08 0.100000E-04    0.931107E+00
  24   -0.498993E-05    0.361077E+03  0.138196E-07 0.100000E-04    0.979729E+00
  25   -0.231782E-04    0.350232E+03  0.661796E-07 0.100000E-04    0.999427E+00
  26   -0.359878E-04    0.335144E+03  0.107380E-06 0.100000E-04    0.999713E+00
  27   -0.176950E-04    0.327155E+03  0.540875E-07 0.100000E-04    0.997122E+00
  28    0.126749E-04    0.321560E+03 -0.394169E-07 0.100000E-04    0.992938E+00
  29    0.258459E-04    0.319961E+03 -0.807782E-07 0.100000E-04    0.993850E+00
  30   -0.245737E-04    0.311020E+03  0.790100E-07 0.100000E-04    0.997063E+00
  31   -0.213580E-04    0.302768E+03  0.705423E-07 0.100000E-04    0.994225E+00
  32   -0.972722E-05    0.289389E+03  0.336130E-07 0.100000E-04    0.985185E+00
  33    0.145468E-04    0.278432E+03 -0.522453E-07 0.100000E-04    0.998277E+00
  34    0.162245E-04    0.271320E+03 -0.597982E-07 0.100000E-04    0.995381E+00
  35    0.249707E-04    0.267545E+03 -0.933326E-07 0.100000E-04    0.996772E+00
  36    0.227317E-04    0.264656E+03 -0.858914E-07 0.100000E-04    0.992102E+00
  37   -0.210276E-04    0.261023E+03  0.805586E-07 0.100000E-04    0.999106E+00
  38    0.343956E-05    0.253885E+03 -0.135477E-07 0.100000E-04    0.977654E+00
  39   -0.216206E-04    0.241902E+03  0.893775E-07 0.100000E-04    0.999393E+00
  40   -0.246108E-04    0.239302E+03  0.102844E-06 0.100000E-04    0.988671E+00
  41   -0.464331E-04    0.234147E+03  0.198307E-06 0.100000E-04    0.996683E+00
  42   -0.182275E-04    0.228063E+03  0.799231E-07 0.100000E-04    0.987032E+00
  43   -0.197166E-04    0.218500E+03  0.902361E-07 0.100000E-04    0.995312E+00
  44   -0.363399E-04    0.214366E+03  0.169522E-06 0.100000E-04    0.991280E+00
  45    0.288704E-05    0.212833E+03 -0.135648E-07 0.100000E-04    0.983816E+00
  46    0.325334E-04    0.207168E+03 -0.157039E-06 0.100000E-04    0.995441E+00
  47   -0.284324E-04    0.203528E+03  0.139698E-06 0.100000E-04    0.998761E+00
  48    0.662721E-05    0.196842E+03 -0.336677E-07 0.100000E-04    0.990994E+00
  49    0.299885E-04    0.194984E+03 -0.153800E-06 0.100000E-04    0.996588E+00
  50    0.805448E-05    0.191392E+03 -0.420836E-07 0.100000E-04    0.975742E+00
  51   -0.183313E-04    0.183499E+03  0.998985E-07 0.100000E-04    0.999107E+00
  52   -0.644321E-05    0.174331E+03  0.369597E-07 0.100000E-04    0.997107E+00
  53    0.149492E-04    0.172231E+03 -0.867971E-07 0.100000E-04    0.997003E+00
  54    0.228321E-04    0.167705E+03 -0.136145E-06 0.100000E-04    0.998417E+00
  55    0.223759E-04    0.164363E+03 -0.136137E-06 0.100000E-04    0.995977E+00
  56    0.661753E-05    0.158107E+03 -0.418548E-07 0.100000E-04    0.976351E+00
  57    0.145286E-04    0.154367E+03 -0.941174E-07 0.100000E-04    0.997654E+00
  58    0.268776E-04    0.151798E+03 -0.177061E-06 0.100000E-04    0.997902E+00
  59   -0.545369E-05    0.147916E+03  0.368703E-07 0.100000E-04    0.978135E+00
  60    0.249655E-04    0.143438E+03 -0.174050E-06 0.100000E-04    0.998201E+00
  61    0.347760E-04    0.137395E+03 -0.253110E-06 0.100000E-04    0.997096E+00
  62    0.250346E-04    0.135937E+03 -0.184163E-06 0.100000E-04    0.998605E+00
  63   -0.196793E-04    0.130547E+03  0.150745E-06 0.100000E-04    0.988110E+00
  64   -0.373773E-04    0.128416E+03  0.291063E-06 0.100000E-04    0.996788E+00
  65   -0.242354E-04    0.126402E+03  0.191733E-06 0.100000E-04    0.993215E+00
  66   -0.127469E-04    0.125213E+03  0.101801E-06 0.100000E-04    0.993628E+00
  67    0.131182E-04    0.119872E+03 -0.109435E-06 0.100000E-04    0.979519E+00
  68    0.904826E-05    0.118129E+03 -0.765963E-07 0.100000E-04    0.992336E+00
  69   -0.778970E-05    0.117106E+03  0.665181E-07 0.100000E-04    0.998685E+00
  70   -0.313827E-04    0.110609E+03  0.283727E-06 0.100000E-04    0.994990E+00
  71    0.708322E-05    0.107348E+03 -0.659837E-07 0.100000E-04    0.991322E+00
  72    0.753027E-04    0.104543E+03 -0.720302E-06 0.100000E-04    0.997061E+00
  73    0.300464E-04    0.103057E+03 -0.291550E-06 0.100000E-04    0.997417E+00
  74   -0.245586E-04    0.996981E+02  0.246329E-06 0.100000E-04    0.995072E+00
  75    0.834385E-04    0.957827E+02 -0.871123E-06 0.100000E-04    0.999411E+00
  76    0.484226E-04    0.938068E+02 -0.516195E-06 0.100000E-04    0.781652E+00
  77    0.897382E-05    0.937967E+02 -0.956731E-07 0.100000E-04    0.306487E+00
  78    0.127236E-04    0.908066E+02 -0.140117E-06 0.100000E-04    0.995745E+00
  79    0.718857E-05    0.892709E+02 -0.805254E-07 0.100000E-04    0.998460E+00
  80   -0.215677E-04    0.852239E+02  0.253072E-06 0.100000E-04    0.996516E+00
  81    0.268108E-04    0.808852E+02 -0.331467E-06 0.100000E-04    0.994997E+00
  82    0.141329E-04    0.799890E+02 -0.176686E-06 0.100000E-04    0.982851E+00
  83   -0.152072E-04    0.781976E+02  0.194471E-06 0.100000E-04    0.990454E+00
  84   -0.548230E-04    0.729961E+02  0.751041E-06 0.100000E-04    0.999069E+00
  85    0.325491E-04    0.725697E+02 -0.448522E-06 0.100000E-04    0.985110E+00
  86    0.171201E-04    0.682178E+02 -0.250962E-06 0.100000E-04    0.999601E+00
  87    0.453631E-04    0.656521E+02 -0.690962E-06 0.100000E-04    0.995937E+00
  88   -0.129064E-04    0.627168E+02  0.205789E-06 0.100000E-04    0.970099E+00
  89    0.817064E-05    0.599479E+02 -0.136296E-06 0.100000E-04    0.998650E+00
  90    0.594359E-04    0.594521E+02 -0.999727E-06 0.100000E-04    0.991075E+00
  91   -0.401053E-04    0.589492E+02  0.680337E-06 0.100000E-04    0.993858E+00
  92    0.616848E-04    0.560449E+02 -0.110063E-05 0.100000E-04    0.999972E+00
  93   -0.467654E-06    0.525893E+02  0.889256E-08 0.100000E-04    0.413677E+00
  94   -0.569170E-04    0.523169E+02  0.108793E-05 0.100000E-04    0.998658E+00
  95   -0.128225E-04    0.500146E+02  0.256375E-06 0.100000E-04    0.984087E+00
  96   -0.330097E-05    0.471030E+02  0.700798E-07 0.100000E-04    0.997248E+00
  97    0.427290E-04    0.429058E+02 -0.995878E-06 0.100000E-04    0.987802E+00
  98    0.546907E-04    0.406007E+02 -0.134704E-05 0.100000E-04    0.998558E+00
  99    0.122017E-03    0.377291E+02 -0.323402E-05 0.100000E-04    0.995019E+00
 100    0.834133E-04    0.363644E+02 -0.229382E-05 0.100000E-04    0.993723E+00
 101   -0.262772E-04    0.336402E+02  0.781124E-06 0.100000E-04    0.971377E+00
 102   -0.107738E-03    0.287888E+02  0.374235E-05 0.100000E-04    0.999089E+00
 103    0.427662E-04    0.285505E+02 -0.149792E-05 0.100000E-04    0.990660E+00
 104    0.124861E-03    0.268696E+02 -0.464691E-05 0.100000E-04    0.992652E+00
 105   -0.691268E-04    0.231449E+02  0.298670E-05 0.100000E-04    0.992225E+00
 106   -0.594296E-04    0.209867E+02  0.283178E-05 0.100000E-04    0.984857E+00
 107   -0.603722E-04    0.205961E+02  0.293124E-05 0.100000E-04    0.985769E+00
 108   -0.942078E-05    0.167468E+02  0.562542E-06 0.100000E-04    0.853729E+00
 109   -0.704733E-04    0.138298E+02  0.509576E-05 0.100000E-04    0.985927E+00
 110   -0.117003E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.483029E+00
 111    0.937490E-03    0.100063E+02 -0.100000E-04 0.100000E-04    0.630919E+00
 112   -0.142170E-01    0.856034E+01  0.172152E-04 0.172152E-04    0.783171E-01
 113   -0.311809E-01    0.651426E+01  0.292688E-04 0.292688E-04    0.217003E+00
 114   -0.781577E+00    0.380321E+01 -0.400000E-03 0.400000E-03    0.141504E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1974895093    

 Beginning of optimization cycle  411.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3331979244
 potential> RMS force:                                               0.0734210329   |gradient|=.7839221137    
 Eigenvalues of the Hessian matrix:
   738.65204    674.22458    628.01611    603.20639    587.47172    574.95601 
   567.06764    485.08711    463.13357    460.78596    441.57897    429.10916 
   422.06987    408.46045    396.97623    388.60047    368.63585    361.06889 
   350.22448    335.13743    327.17233    321.56390    319.94995    311.00362 
   302.75109    289.39954    278.42881    271.33083    267.55277    264.65882 
   261.04410    253.88186    241.89733    239.31543    234.13808    228.05565 
   218.47966    214.37315    212.84021    207.16891    203.52550    196.83158 
   194.97984    191.39065    183.49011    174.32356    172.23449    167.70762 
   164.35331    158.09519    154.37177    151.80409    147.90551    143.43999 
   137.39898    135.93754    130.54617    128.42061    126.40623    125.20726 
   119.87310    118.12984    117.10702    110.60423    107.34287    104.54091 
   103.05608     99.69727     95.78431     93.81326     93.78255     90.81021 
    89.26466     85.22679     80.88471     79.99120     78.19635     72.99972 
    72.57370     68.21673     65.64244     62.70760     59.94865     59.44889 
    58.94435     56.04464     52.58801     52.31658     50.01431     47.09641 
    42.90731     40.60357     37.73236     36.36642     33.62761     28.78858 
    28.54917     26.86210     23.14694     20.98699     20.59253     16.74546 
    13.83039     12.23851     10.00762      8.55784      6.50555      3.79750 
overlap for current and previous eigenvector    109 is        -0.9999997927
overlap for current and previous eigenvector    110 is        -0.9999996663
overlap for current and previous eigenvector    111 is        -0.9999997295
overlap for current and previous eigenvector    112 is         0.9999981651
overlap for current and previous eigenvector    113 is         0.9999981151
overlap for current and previous eigenvector    114 is         0.9999996921
J1,K1,R1,R2,RAT=   7   7   -0.5845103004E-02     2.005666898        0.9941548970    
FOB,PFOB,DIAG,PSTEP=   -0.6909068116E-05   -0.6868915022E-05     738.6520449        0.9300085421E-08
J1,K1,R1,R2,RAT=   8   8    0.4649279180E-02     1.995329739        0.9953297391    
FOB,PFOB,DIAG,PSTEP=   -0.6547769469E-05   -0.6578354395E-05     674.2245767        0.9757021082E-08
J1,K1,R1,R2,RAT=   9   9    0.5905822994E-02     1.994048765        0.9940487649    
FOB,PFOB,DIAG,PSTEP=   -0.1749815514E-05   -0.1760211246E-05     628.0161087        0.2802875897E-08
J1,K1,R1,R2,RAT=  10  10   -0.2640839082E-01     2.026460006        0.9735916092    
FOB,PFOB,DIAG,PSTEP=    0.2723152763E-05    0.2653090714E-05     603.2063897       -0.4398199839E-08
J1,K1,R1,R2,RAT=  11  11   -0.1289605413E-01     2.012927278        0.9871039459    
FOB,PFOB,DIAG,PSTEP=   -0.1915910080E-05   -0.1891517351E-05     587.4717210        0.3219708717E-08
J1,K1,R1,R2,RAT= 109 109     1.998045064        0.1870542507E-02    0.9980450639    
FOB,PFOB,DIAG,PSTEP=    0.7034151792E-04   -0.7047334687E-04     13.83038665        0.5095759252E-05
J1,K1,R1,R2,RAT= 110 110     191.7439004       -0.5386233384        0.4613766616    
FOB,PFOB,DIAG,PSTEP=    0.1176625562E-01   -0.1170033616E-01     12.23850758        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     18.36621523        0.3693112303        0.6306887697    
FOB,PFOB,DIAG,PSTEP=   -0.9005308345E-03    0.9374900971E-03     10.00761947       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7397794694         193.7416998        0.2602205306    
FOB,PFOB,DIAG,PSTEP=   -0.1432601468E-01   -0.1421702650E-01     8.557839672        0.1721523646E-04
J1,K1,R1,R2,RAT= 113 113   -0.9054030487         328.4193117        0.9459695131E-01
FOB,PFOB,DIAG,PSTEP=   -0.3135332731E-01   -0.3118092969E-01     6.505545406        0.2926884569E-04
J1,K1,R1,R2,RAT= 114 114    0.9861657768        -1030.053893        0.1383422322E-01
FOB,PFOB,DIAG,PSTEP=   -0.7830748515       -0.7815768658         3.797499646       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001      0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00001      0.00003     -0.00001     -0.00002 
     0.00004      0.00002     -0.00002      0.00004      0.00002     -0.00001 
     0.00001      0.00001     -0.00001      0.00003     -0.00001      0.00008 
     0.00003     -0.00002      0.00008     -0.00004      0.00003      0.00001 
     0.00001      0.00002     -0.00003     -0.00001     -0.00002      0.00006 
     0.00003      0.00002     -0.00005     -0.00001      0.00001      0.00006 
    -0.00004     -0.00006      0.00000      0.00006      0.00001      0.00000 
    -0.00004      0.00006      0.00012     -0.00008      0.00003      0.00011 
     0.00004     -0.00013      0.00007      0.00006      0.00006      0.00001 
     0.00007      0.01177     -0.00090     -0.01433     -0.03135     -0.78307 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4104888705
 Log product of positive Hessian eigenvalues =          519.4852155310
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7974996460
 Unscaled step for mode    7=        0.0000000094
 Unscaled step for mode    8=        0.0000000097
 Unscaled step for mode    9=        0.0000000028
 Unscaled step for mode   10=       -0.0000000045
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000104
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000046
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000102
 Unscaled step for mode   18=       -0.0000000108
 Unscaled step for mode   19=        0.0000000455
 Unscaled step for mode   20=       -0.0000000128
 Unscaled step for mode   21=       -0.0000000141
 Unscaled step for mode   22=        0.0000000277
 Unscaled step for mode   23=       -0.0000000043
 Unscaled step for mode   24=        0.0000000139
 Unscaled step for mode   25=        0.0000000663
 Unscaled step for mode   26=        0.0000001076
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000394
 Unscaled step for mode   29=       -0.0000000816
 Unscaled step for mode   30=        0.0000000786
 Unscaled step for mode   31=        0.0000000705
 Unscaled step for mode   32=        0.0000000338
 Unscaled step for mode   33=       -0.0000000526
 Unscaled step for mode   34=       -0.0000000603
 Unscaled step for mode   35=       -0.0000000931
 Unscaled step for mode   36=       -0.0000000859
 Unscaled step for mode   37=        0.0000000807
 Unscaled step for mode   38=       -0.0000000138
 Unscaled step for mode   39=        0.0000000896
 Unscaled step for mode   40=        0.0000001035
 Unscaled step for mode   41=        0.0000001985
 Unscaled step for mode   42=        0.0000000799
 Unscaled step for mode   43=        0.0000000901
 Unscaled step for mode   44=        0.0000001697
 Unscaled step for mode   45=       -0.0000000143
 Unscaled step for mode   46=       -0.0000001573
 Unscaled step for mode   47=        0.0000001391
 Unscaled step for mode   48=       -0.0000000340
 Unscaled step for mode   49=       -0.0000001535
 Unscaled step for mode   50=       -0.0000000435
 Unscaled step for mode   51=        0.0000000997
 Unscaled step for mode   52=       -0.0000000372
 Unscaled step for mode   53=        0.0000000871
 Unscaled step for mode   54=        0.0000001362
 Unscaled step for mode   55=       -0.0000001362
 Unscaled step for mode   56=       -0.0000000421
 Unscaled step for mode   57=       -0.0000000948
 Unscaled step for mode   58=       -0.0000001771
 Unscaled step for mode   59=        0.0000000375
 Unscaled step for mode   60=        0.0000001741
 Unscaled step for mode   61=       -0.0000002553
 Unscaled step for mode   62=       -0.0000001838
 Unscaled step for mode   63=        0.0000001520
 Unscaled step for mode   64=       -0.0000002924
 Unscaled step for mode   65=       -0.0000001933
 Unscaled step for mode   66=        0.0000001017
 Unscaled step for mode   67=       -0.0000001091
 Unscaled step for mode   68=       -0.0000000768
 Unscaled step for mode   69=        0.0000000675
 Unscaled step for mode   70=       -0.0000002823
 Unscaled step for mode   71=        0.0000000658
 Unscaled step for mode   72=       -0.0000007240
 Unscaled step for mode   73=       -0.0000002919
 Unscaled step for mode   74=        0.0000002470
 Unscaled step for mode   75=       -0.0000008719
 Unscaled step for mode   76=        0.0000004330
 Unscaled step for mode   77=       -0.0000002987
 Unscaled step for mode   78=       -0.0000001398
 Unscaled step for mode   79=       -0.0000000810
 Unscaled step for mode   80=       -0.0000002519
 Unscaled step for mode   81=        0.0000003320
 Unscaled step for mode   82=        0.0000001762
 Unscaled step for mode   83=        0.0000001920
 Unscaled step for mode   84=       -0.0000007578
 Unscaled step for mode   85=       -0.0000004497
 Unscaled step for mode   86=       -0.0000002542
 Unscaled step for mode   87=        0.0000006937
 Unscaled step for mode   88=        0.0000002082
 Unscaled step for mode   89=       -0.0000001294
 Unscaled step for mode   90=       -0.0000009976
 Unscaled step for mode   91=        0.0000006964
 Unscaled step for mode   92=        0.0000010953
 Unscaled step for mode   93=       -0.0000000019
 Unscaled step for mode   94=       -0.0000010922
 Unscaled step for mode   95=       -0.0000002613
 Unscaled step for mode   96=       -0.0000000782
 Unscaled step for mode   97=        0.0000010101
 Unscaled step for mode   98=       -0.0000013555
 Unscaled step for mode   99=       -0.0000032479
 Unscaled step for mode  100=        0.0000022899
 Unscaled step for mode  101=       -0.0000008056
 Unscaled step for mode  102=       -0.0000037609
 Unscaled step for mode  103=       -0.0000015026
 Unscaled step for mode  104=        0.0000046930
 Unscaled step for mode  105=       -0.0000030022
 Unscaled step for mode  106=       -0.0000029287
 Unscaled step for mode  107=       -0.0000027719
 Unscaled step for mode  108=       -0.0000006531
 Unscaled step for mode  109=       -0.0000050860
 Unscaled step for mode  110=       -0.0009614117
 Unscaled step for mode  111=        0.0000899845
 Unscaled step for mode  112=        0.0016740176
 Unscaled step for mode  113=        0.0048193652
 Unscaled step for mode  114=       -0.1981144817
 Largest modulus ratio of non-zero e/values=           194.5101024    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.486156E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.166176E-14    0.100690E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.490059E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.639679E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.304561E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.191728E-15    0.974032E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.690907E-05    0.738652E+03  0.935362E-08 0.100000E-04    0.994155E+00
   8   -0.654777E-05    0.674225E+03  0.971156E-08 0.100000E-04    0.995330E+00
   9   -0.174982E-05    0.628016E+03  0.278626E-08 0.100000E-04    0.994049E+00
  10    0.272315E-05    0.603206E+03 -0.451446E-08 0.100000E-04    0.973592E+00
  11   -0.191591E-05    0.587472E+03  0.326128E-08 0.100000E-04    0.987104E+00
  12   -0.598627E-05    0.574956E+03  0.104117E-07 0.100000E-04    0.994621E+00
  13   -0.357620E-05    0.567068E+03  0.630647E-08 0.100000E-04    0.991429E+00
  14    0.221701E-05    0.485087E+03 -0.457034E-08 0.100000E-04    0.996595E+00
  15    0.201976E-05    0.463134E+03 -0.436108E-08 0.100000E-04    0.995891E+00
  16    0.735517E-05    0.460786E+03 -0.159622E-07 0.100000E-04    0.994045E+00
  17    0.449024E-05    0.441579E+03 -0.101686E-07 0.100000E-04    0.985508E+00
  18    0.465347E-05    0.429109E+03 -0.108445E-07 0.100000E-04    0.998929E+00
  19   -0.191840E-04    0.422070E+03  0.454521E-07 0.100000E-04    0.996240E+00
  20    0.524275E-05    0.408460E+03 -0.128354E-07 0.100000E-04    0.997566E+00
  21    0.559042E-05    0.396976E+03 -0.140825E-07 0.100000E-04    0.997312E+00
  22   -0.107633E-04    0.388600E+03  0.276975E-07 0.100000E-04    0.995713E+00
  23    0.158458E-05    0.368636E+03 -0.429851E-08 0.100000E-04    0.956283E+00
  24   -0.501705E-05    0.361069E+03  0.138950E-07 0.100000E-04    0.994563E+00
  25   -0.232231E-04    0.350224E+03  0.663093E-07 0.100000E-04    0.998063E+00
  26   -0.360621E-04    0.335137E+03  0.107604E-06 0.100000E-04    0.997936E+00
  27   -0.177039E-04    0.327172E+03  0.541119E-07 0.100000E-04    0.999496E+00
  28    0.126562E-04    0.321564E+03 -0.393581E-07 0.100000E-04    0.998497E+00
  29    0.260923E-04    0.319950E+03 -0.815513E-07 0.100000E-04    0.990464E+00
  30   -0.244449E-04    0.311004E+03  0.786002E-07 0.100000E-04    0.994761E+00
  31   -0.213437E-04    0.302751E+03  0.704991E-07 0.100000E-04    0.999329E+00
  32   -0.976769E-05    0.289400E+03  0.337516E-07 0.100000E-04    0.995840E+00
  33    0.146525E-04    0.278429E+03 -0.526257E-07 0.100000E-04    0.992730E+00
  34    0.163482E-04    0.271331E+03 -0.602520E-07 0.100000E-04    0.992373E+00
  35    0.249012E-04    0.267553E+03 -0.930701E-07 0.100000E-04    0.997160E+00
  36    0.227406E-04    0.264659E+03 -0.859241E-07 0.100000E-04    0.999608E+00
  37   -0.210659E-04    0.261044E+03  0.806985E-07 0.100000E-04    0.998181E+00
  38    0.349117E-05    0.253882E+03 -0.137512E-07 0.100000E-04    0.984995E+00
  39   -0.216795E-04    0.241897E+03  0.896228E-07 0.100000E-04    0.997276E+00
  40   -0.247621E-04    0.239315E+03  0.103471E-06 0.100000E-04    0.993851E+00
  41   -0.464659E-04    0.234138E+03  0.198455E-06 0.100000E-04    0.999296E+00
  42   -0.182242E-04    0.228056E+03  0.799112E-07 0.100000E-04    0.999820E+00
  43   -0.196749E-04    0.218480E+03  0.900536E-07 0.100000E-04    0.997884E+00
  44   -0.363742E-04    0.214373E+03  0.169677E-06 0.100000E-04    0.999056E+00
  45    0.304807E-05    0.212840E+03 -0.143210E-07 0.100000E-04    0.944225E+00
  46    0.325936E-04    0.207169E+03 -0.157329E-06 0.100000E-04    0.998151E+00
  47   -0.283191E-04    0.203526E+03  0.139143E-06 0.100000E-04    0.996016E+00
  48    0.670037E-05    0.196832E+03 -0.340411E-07 0.100000E-04    0.988960E+00
  49    0.299292E-04    0.194980E+03 -0.153499E-06 0.100000E-04    0.998023E+00
  50    0.832947E-05    0.191391E+03 -0.435208E-07 0.100000E-04    0.965858E+00
  51   -0.183012E-04    0.183490E+03  0.997394E-07 0.100000E-04    0.998357E+00
  52    0.648141E-05    0.174324E+03 -0.371803E-07 0.100000E-04    0.994072E+00
  53   -0.150003E-04    0.172234E+03  0.870923E-07 0.100000E-04    0.996580E+00
  54   -0.228428E-04    0.167708E+03  0.136206E-06 0.100000E-04    0.999534E+00
  55    0.223897E-04    0.164353E+03 -0.136229E-06 0.100000E-04    0.999383E+00
  56    0.665925E-05    0.158095E+03 -0.421217E-07 0.100000E-04    0.993696E+00
  57    0.146417E-04    0.154372E+03 -0.948468E-07 0.100000E-04    0.992220E+00
  58    0.268855E-04    0.151804E+03 -0.177106E-06 0.100000E-04    0.999706E+00
  59   -0.554546E-05    0.147906E+03  0.374932E-07 0.100000E-04    0.983173E+00
  60   -0.249735E-04    0.143440E+03  0.174104E-06 0.100000E-04    0.999680E+00
  61    0.350742E-04    0.137399E+03 -0.255273E-06 0.100000E-04    0.991424E+00
  62    0.249836E-04    0.135938E+03 -0.183787E-06 0.100000E-04    0.997957E+00
  63   -0.198482E-04    0.130546E+03  0.152040E-06 0.100000E-04    0.991420E+00
  64    0.375439E-04    0.128421E+03 -0.292351E-06 0.100000E-04    0.995544E+00
  65    0.244325E-04    0.126406E+03 -0.193286E-06 0.100000E-04    0.991864E+00
  66   -0.127335E-04    0.125207E+03  0.101699E-06 0.100000E-04    0.998946E+00
  67    0.130754E-04    0.119873E+03 -0.109077E-06 0.100000E-04    0.996719E+00
  68    0.907108E-05    0.118130E+03 -0.767891E-07 0.100000E-04    0.997478E+00
  69   -0.790296E-05    0.117107E+03  0.674849E-07 0.100000E-04    0.985460E+00
  70    0.312275E-04    0.110604E+03 -0.282336E-06 0.100000E-04    0.995055E+00
  71   -0.706061E-05    0.107343E+03  0.657762E-07 0.100000E-04    0.996807E+00
  72    0.756897E-04    0.104541E+03 -0.724020E-06 0.100000E-04    0.994860E+00
  73    0.300815E-04    0.103056E+03 -0.291894E-06 0.100000E-04    0.998833E+00
  74   -0.246244E-04    0.996973E+02  0.246992E-06 0.100000E-04    0.997319E+00
  75    0.835149E-04    0.957843E+02 -0.871906E-06 0.100000E-04    0.999085E+00
  76   -0.406218E-04    0.938133E+02  0.433007E-06 0.100000E-04    0.838774E+00
  77    0.280114E-04    0.937825E+02 -0.298685E-06 0.100000E-04    0.112178E+01
  78    0.126963E-04    0.908102E+02 -0.139811E-06 0.100000E-04    0.997778E+00
  79    0.722888E-05    0.892647E+02 -0.809826E-07 0.100000E-04    0.994392E+00
  80    0.214707E-04    0.852268E+02 -0.251924E-06 0.100000E-04    0.995430E+00
  81   -0.268575E-04    0.808847E+02  0.332047E-06 0.100000E-04    0.998257E+00
  82   -0.140977E-04    0.799912E+02  0.176240E-06 0.100000E-04    0.997448E+00
  83   -0.150111E-04    0.781964E+02  0.191967E-06 0.100000E-04    0.987107E+00
  84    0.553164E-04    0.729997E+02 -0.757762E-06 0.100000E-04    0.991000E+00
  85    0.326368E-04    0.725737E+02 -0.449706E-06 0.100000E-04    0.997306E+00
  86    0.173416E-04    0.682167E+02 -0.254213E-06 0.100000E-04    0.987061E+00
  87   -0.455379E-04    0.656424E+02  0.693726E-06 0.100000E-04    0.996147E+00
  88   -0.130526E-04    0.627076E+02  0.208150E-06 0.100000E-04    0.988671E+00
  89    0.775720E-05    0.599486E+02 -0.129397E-06 0.100000E-04    0.949374E+00
  90    0.593044E-04    0.594489E+02 -0.997570E-06 0.100000E-04    0.997788E+00
  91   -0.410477E-04    0.589443E+02  0.696380E-06 0.100000E-04    0.976500E+00
  92   -0.613863E-04    0.560446E+02  0.109531E-05 0.100000E-04    0.995160E+00
  93    0.102363E-06    0.525880E+02 -0.194651E-08 0.100000E-04    0.218867E+00
  94    0.571411E-04    0.523166E+02 -0.109222E-05 0.100000E-04    0.996062E+00
  95    0.130665E-04    0.500143E+02 -0.261256E-06 0.100000E-04    0.980969E+00
  96    0.368307E-05    0.470964E+02 -0.782028E-07 0.100000E-04    0.884230E+00
  97   -0.433407E-04    0.429073E+02  0.101010E-05 0.100000E-04    0.985685E+00
  98    0.550392E-04    0.406036E+02 -0.135553E-05 0.100000E-04    0.993630E+00
  99    0.122551E-03    0.377324E+02 -0.324791E-05 0.100000E-04    0.995620E+00
 100   -0.832752E-04    0.363664E+02  0.228989E-05 0.100000E-04    0.998233E+00
 101    0.270891E-04    0.336276E+02 -0.805561E-06 0.100000E-04    0.969090E+00
 102    0.108271E-03    0.287886E+02 -0.376091E-05 0.100000E-04    0.995046E+00
 103    0.428968E-04    0.285492E+02 -0.150256E-05 0.100000E-04    0.996948E+00
 104   -0.126065E-03    0.268621E+02  0.469303E-05 0.100000E-04    0.990353E+00
 105    0.694913E-04    0.231469E+02 -0.300218E-05 0.100000E-04    0.994727E+00
 106    0.614641E-04    0.209870E+02 -0.292868E-05 0.100000E-04    0.965767E+00
 107    0.570806E-04    0.205925E+02 -0.277191E-05 0.100000E-04    0.945468E+00
 108    0.109372E-04    0.167455E+02 -0.653146E-06 0.100000E-04    0.839018E+00
 109    0.703415E-04    0.138304E+02 -0.508601E-05 0.100000E-04    0.998045E+00
 110    0.117663E-01    0.122385E+02 -0.100000E-04 0.100000E-04    0.461377E+00
 111   -0.900531E-03    0.100076E+02  0.100000E-04 0.100000E-04    0.630689E+00
 112   -0.143260E-01    0.855784E+01  0.155092E-04 0.155092E-04    0.260221E+00
 113   -0.313533E-01    0.650555E+01  0.319030E-04 0.319030E-04    0.945970E-01
 114   -0.783075E+00    0.379750E+01 -0.400000E-03 0.400000E-03    0.138342E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1981144817    

 Beginning of optimization cycle  412.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3328857362
 potential> RMS force:                                               0.0735618432   |gradient|=.7854255557    
 Eigenvalues of the Hessian matrix:
   738.71798    674.23133    628.03040    603.19102    587.46240    574.99786 
   567.06524    485.11406    463.11034    460.77990    441.58205    429.10315 
   422.07144    408.46437    396.97124    388.59570    368.64666    361.06121 
   350.21671    335.13089    327.18979    321.56796    319.93913    310.98747 
   302.73377    289.41041    278.42567    271.34150    267.56035    264.66187 
   261.06588    253.87916    241.89257    239.32860    234.12903    228.04857 
   218.45919    214.38010    212.84706    207.16966    203.52341    196.82156 
   194.97612    191.38885    183.48086    174.31643    172.23781    167.71078 
   164.34389    158.08336    154.37654    151.80991    147.89538    143.44176 
   137.40344    135.93776    130.54479    128.42489    126.41059    125.20114 
   119.87448    118.13040    117.10749    110.59977    107.33772    104.53851 
   103.05474     99.69644     95.78594     93.82149     93.76646     90.81382 
    89.25835     85.22973     80.88417     79.99349     78.19507     73.00333 
    72.57757     68.21556     65.63279     62.69830     59.94942     59.44568 
    58.93934     56.04428     52.58665     52.31619     50.01404     47.08975 
    42.90884     40.60640     37.73556     36.36824     33.61498     28.78838 
    28.54787     26.85461     23.14903     20.98744     20.58870     16.74409 
    13.83097     12.23852     10.00895      8.55539      6.49680      3.79179 
overlap for current and previous eigenvector    109 is        -0.9999997897
overlap for current and previous eigenvector    110 is        -0.9999996645
overlap for current and previous eigenvector    111 is         0.9999997234
overlap for current and previous eigenvector    112 is        -0.9999981900
overlap for current and previous eigenvector    113 is         0.9999981390
overlap for current and previous eigenvector    114 is         0.9999996864
J1,K1,R1,R2,RAT=   7   7   -0.4315121330E-02     2.004136613        0.9956848787    
FOB,PFOB,DIAG,PSTEP=   -0.6938884244E-05   -0.6909068116E-05     738.7179786        0.9353616717E-08
J1,K1,R1,R2,RAT=   8   8   -0.1000035787E-01     2.009980326        0.9899996421    
FOB,PFOB,DIAG,PSTEP=   -0.6613250162E-05   -0.6547769469E-05     674.2313297        0.9711555608E-08
J1,K1,R1,R2,RAT=   9   9   -0.2069424404E-01     2.020648741        0.9793057560    
FOB,PFOB,DIAG,PSTEP=   -0.1786027447E-05   -0.1749815514E-05     628.0303972        0.2786258966E-08
J1,K1,R1,R2,RAT=  10  10    0.1496245379E-01     1.985088521        0.9850375462    
FOB,PFOB,DIAG,PSTEP=    0.2682408754E-05    0.2723152763E-05     603.1910159       -0.4514462727E-08
J1,K1,R1,R2,RAT=  11  11   -0.5064266910E-02     2.005096014        0.9949357331    
FOB,PFOB,DIAG,PSTEP=   -0.1925612606E-05   -0.1915910080E-05     587.4623960        0.3261280521E-08
J1,K1,R1,R2,RAT= 109 109     1.996319240        0.3596896434E-02    0.9963192401    
FOB,PFOB,DIAG,PSTEP=   -0.7008849615E-04    0.7034151792E-04     13.83096661       -0.5086012392E-05
J1,K1,R1,R2,RAT= 110 110     192.8031400       -0.5207778295        0.4792221705    
FOB,PFOB,DIAG,PSTEP=   -0.1182999111E-01    0.1176625562E-01     12.23851786       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3744245988         17.62008502        0.6255754012    
FOB,PFOB,DIAG,PSTEP=   -0.8630548595E-03   -0.9005308345E-03     10.00895110        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     216.8882238       -0.9518982278        0.4810177223E-01
FOB,PFOB,DIAG,PSTEP=    0.1445231958E-01   -0.1432601468E-01     8.555387146        0.1550922204E-04
J1,K1,R1,R2,RAT= 113 113   -0.8044431377         303.3439728        0.1955568623    
FOB,PFOB,DIAG,PSTEP=   -0.3152006234E-01   -0.3135332731E-01     6.496798713        0.3190304181E-04
J1,K1,R1,R2,RAT= 114 114    0.9857833134        -1033.579238        0.1421668661E-01
FOB,PFOB,DIAG,PSTEP=   -0.7845700035       -0.7830748515         3.791786826       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00002     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00002     -0.00002 
    -0.00002     -0.00001     -0.00001     -0.00003     -0.00001      0.00003 
     0.00003     -0.00002      0.00002     -0.00004     -0.00002     -0.00001 
     0.00001      0.00001     -0.00001      0.00003      0.00001      0.00008 
     0.00003     -0.00002      0.00008     -0.00004      0.00003      0.00001 
     0.00001     -0.00002     -0.00003     -0.00001      0.00002      0.00006 
     0.00003     -0.00002     -0.00005      0.00001     -0.00001      0.00006 
    -0.00004      0.00006      0.00000     -0.00006     -0.00001     -0.00000 
    -0.00004     -0.00005     -0.00012      0.00008      0.00003      0.00011 
    -0.00004      0.00013     -0.00007     -0.00006     -0.00006     -0.00001 
    -0.00007     -0.01183     -0.00086      0.01445     -0.03152     -0.78457 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4102634592
 Log product of positive Hessian eigenvalues =          519.4808494620
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7917868256
 Unscaled step for mode    7=        0.0000000094
 Unscaled step for mode    8=        0.0000000098
 Unscaled step for mode    9=        0.0000000028
 Unscaled step for mode   10=       -0.0000000044
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000106
 Unscaled step for mode   13=        0.0000000064
 Unscaled step for mode   14=       -0.0000000047
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000109
 Unscaled step for mode   19=        0.0000000455
 Unscaled step for mode   20=       -0.0000000127
 Unscaled step for mode   21=       -0.0000000140
 Unscaled step for mode   22=        0.0000000277
 Unscaled step for mode   23=       -0.0000000045
 Unscaled step for mode   24=        0.0000000140
 Unscaled step for mode   25=        0.0000000664
 Unscaled step for mode   26=        0.0000001076
 Unscaled step for mode   27=        0.0000000542
 Unscaled step for mode   28=       -0.0000000392
 Unscaled step for mode   29=       -0.0000000819
 Unscaled step for mode   30=        0.0000000788
 Unscaled step for mode   31=        0.0000000710
 Unscaled step for mode   32=        0.0000000339
 Unscaled step for mode   33=       -0.0000000525
 Unscaled step for mode   34=        0.0000000604
 Unscaled step for mode   35=       -0.0000000933
 Unscaled step for mode   36=       -0.0000000862
 Unscaled step for mode   37=        0.0000000807
 Unscaled step for mode   38=       -0.0000000140
 Unscaled step for mode   39=        0.0000000896
 Unscaled step for mode   40=        0.0000001041
 Unscaled step for mode   41=        0.0000001989
 Unscaled step for mode   42=        0.0000000804
 Unscaled step for mode   43=        0.0000000906
 Unscaled step for mode   44=        0.0000001707
 Unscaled step for mode   45=       -0.0000000142
 Unscaled step for mode   46=       -0.0000001579
 Unscaled step for mode   47=        0.0000001391
 Unscaled step for mode   48=       -0.0000000339
 Unscaled step for mode   49=       -0.0000001543
 Unscaled step for mode   50=       -0.0000000422
 Unscaled step for mode   51=        0.0000001001
 Unscaled step for mode   52=       -0.0000000376
 Unscaled step for mode   53=        0.0000000871
 Unscaled step for mode   54=        0.0000001369
 Unscaled step for mode   55=        0.0000001364
 Unscaled step for mode   56=        0.0000000418
 Unscaled step for mode   57=        0.0000000951
 Unscaled step for mode   58=        0.0000001773
 Unscaled step for mode   59=        0.0000000374
 Unscaled step for mode   60=       -0.0000001745
 Unscaled step for mode   61=       -0.0000002545
 Unscaled step for mode   62=        0.0000001831
 Unscaled step for mode   63=       -0.0000001501
 Unscaled step for mode   64=        0.0000002933
 Unscaled step for mode   65=        0.0000001925
 Unscaled step for mode   66=        0.0000001004
 Unscaled step for mode   67=       -0.0000001104
 Unscaled step for mode   68=       -0.0000000766
 Unscaled step for mode   69=        0.0000000671
 Unscaled step for mode   70=       -0.0000002843
 Unscaled step for mode   71=       -0.0000000659
 Unscaled step for mode   72=       -0.0000007246
 Unscaled step for mode   73=       -0.0000002917
 Unscaled step for mode   74=        0.0000002451
 Unscaled step for mode   75=       -0.0000008722
 Unscaled step for mode   76=        0.0000004072
 Unscaled step for mode   77=       -0.0000003305
 Unscaled step for mode   78=       -0.0000001433
 Unscaled step for mode   79=       -0.0000000799
 Unscaled step for mode   80=        0.0000002525
 Unscaled step for mode   81=        0.0000003329
 Unscaled step for mode   82=        0.0000001797
 Unscaled step for mode   83=       -0.0000001941
 Unscaled step for mode   84=       -0.0000007569
 Unscaled step for mode   85=       -0.0000004425
 Unscaled step for mode   86=        0.0000002558
 Unscaled step for mode   87=        0.0000006939
 Unscaled step for mode   88=       -0.0000002083
 Unscaled step for mode   89=        0.0000001318
 Unscaled step for mode   90=       -0.0000009914
 Unscaled step for mode   91=        0.0000007037
 Unscaled step for mode   92=       -0.0000010991
 Unscaled step for mode   93=       -0.0000000089
 Unscaled step for mode   94=        0.0000010894
 Unscaled step for mode   95=        0.0000002513
 Unscaled step for mode   96=        0.0000000800
 Unscaled step for mode   97=        0.0000009994
 Unscaled step for mode   98=        0.0000013543
 Unscaled step for mode   99=        0.0000032330
 Unscaled step for mode  100=       -0.0000022891
 Unscaled step for mode  101=       -0.0000007903
 Unscaled step for mode  102=       -0.0000037545
 Unscaled step for mode  103=        0.0000015115
 Unscaled step for mode  104=       -0.0000046854
 Unscaled step for mode  105=        0.0000030129
 Unscaled step for mode  106=        0.0000029209
 Unscaled step for mode  107=        0.0000028124
 Unscaled step for mode  108=        0.0000006022
 Unscaled step for mode  109=        0.0000050675
 Unscaled step for mode  110=        0.0009666187
 Unscaled step for mode  111=        0.0000862283
 Unscaled step for mode  112=       -0.0016892606
 Unscaled step for mode  113=        0.0048515156
 Unscaled step for mode  114=       -0.1987404063
 Largest modulus ratio of non-zero e/values=           194.8205457    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.112540E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.107618E-14    0.100690E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.282733E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.113425E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.233537E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.185629E-15    0.974033E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.693888E-05    0.738718E+03  0.939314E-08 0.100000E-04    0.995685E+00
   8   -0.661325E-05    0.674231E+03  0.980858E-08 0.100000E-04    0.990000E+00
   9   -0.178603E-05    0.628030E+03  0.284386E-08 0.100000E-04    0.979306E+00
  10    0.268241E-05    0.603191E+03 -0.444703E-08 0.100000E-04    0.985038E+00
  11   -0.192561E-05    0.587462E+03  0.327785E-08 0.100000E-04    0.994936E+00
  12   -0.608364E-05    0.574998E+03  0.105803E-07 0.100000E-04    0.983736E+00
  13   -0.361285E-05    0.567065E+03  0.637113E-08 0.100000E-04    0.989751E+00
  14    0.229618E-05    0.485114E+03 -0.473329E-08 0.100000E-04    0.964290E+00
  15    0.205493E-05    0.463110E+03 -0.443723E-08 0.100000E-04    0.982590E+00
  16    0.734125E-05    0.460780E+03 -0.159322E-07 0.100000E-04    0.998108E+00
  17    0.443974E-05    0.441582E+03 -0.100542E-07 0.100000E-04    0.988738E+00
  18    0.465821E-05    0.429103E+03 -0.108557E-07 0.100000E-04    0.998981E+00
  19   -0.191901E-04    0.422071E+03  0.454666E-07 0.100000E-04    0.999677E+00
  20    0.519119E-05    0.408464E+03 -0.127091E-07 0.100000E-04    0.990147E+00
  21    0.554195E-05    0.396971E+03 -0.139606E-07 0.100000E-04    0.991329E+00
  22   -0.107829E-04    0.388596E+03  0.277484E-07 0.100000E-04    0.998176E+00
  23    0.164873E-05    0.368647E+03 -0.447238E-08 0.100000E-04    0.959520E+00
  24   -0.505850E-05    0.361061E+03  0.140101E-07 0.100000E-04    0.991739E+00
  25   -0.232652E-04    0.350217E+03  0.664310E-07 0.100000E-04    0.998187E+00
  26   -0.360531E-04    0.335131E+03  0.107579E-06 0.100000E-04    0.999751E+00
  27   -0.177261E-04    0.327190E+03  0.541769E-07 0.100000E-04    0.998746E+00
  28    0.126059E-04    0.321568E+03 -0.392014E-07 0.100000E-04    0.996006E+00
  29    0.262155E-04    0.319939E+03 -0.819389E-07 0.100000E-04    0.995281E+00
  30   -0.244907E-04    0.310987E+03  0.787516E-07 0.100000E-04    0.998126E+00
  31   -0.214996E-04    0.302734E+03  0.710183E-07 0.100000E-04    0.992693E+00
  32   -0.979708E-05    0.289410E+03  0.338519E-07 0.100000E-04    0.996992E+00
  33    0.146084E-04    0.278426E+03 -0.524678E-07 0.100000E-04    0.996988E+00
  34   -0.163834E-04    0.271341E+03  0.603794E-07 0.100000E-04    0.997846E+00
  35    0.249739E-04    0.267560E+03 -0.933393E-07 0.100000E-04    0.997080E+00
  36    0.228150E-04    0.264662E+03 -0.862043E-07 0.100000E-04    0.996727E+00
  37   -0.210753E-04    0.261066E+03  0.807280E-07 0.100000E-04    0.999551E+00
  38    0.355044E-05    0.253879E+03 -0.139848E-07 0.100000E-04    0.983023E+00
  39   -0.216802E-04    0.241893E+03  0.896273E-07 0.100000E-04    0.999969E+00
  40   -0.249137E-04    0.239329E+03  0.104098E-06 0.100000E-04    0.993877E+00
  41   -0.465676E-04    0.234129E+03  0.198897E-06 0.100000E-04    0.997810E+00
  42   -0.183459E-04    0.228049E+03  0.804474E-07 0.100000E-04    0.993320E+00
  43   -0.197902E-04    0.218459E+03  0.905901E-07 0.100000E-04    0.994136E+00
  44   -0.365919E-04    0.214380E+03  0.170687E-06 0.100000E-04    0.994015E+00
  45    0.303161E-05    0.212847E+03 -0.142432E-07 0.100000E-04    0.994535E+00
  46    0.327071E-04    0.207170E+03 -0.157876E-06 0.100000E-04    0.996518E+00
  47   -0.283174E-04    0.203523E+03  0.139136E-06 0.100000E-04    0.999938E+00
  48    0.667977E-05    0.196822E+03 -0.339382E-07 0.100000E-04    0.996926E+00
  49    0.300800E-04    0.194976E+03 -0.154275E-06 0.100000E-04    0.994962E+00
  50    0.807846E-05    0.191389E+03 -0.422097E-07 0.100000E-04    0.969864E+00
  51   -0.183710E-04    0.183481E+03  0.100125E-06 0.100000E-04    0.996184E+00
  52    0.655090E-05    0.174316E+03 -0.375805E-07 0.100000E-04    0.989278E+00
  53   -0.150038E-04    0.172238E+03  0.871109E-07 0.100000E-04    0.999767E+00
  54   -0.229646E-04    0.167711E+03  0.136930E-06 0.100000E-04    0.994667E+00
  55   -0.224210E-04    0.164344E+03  0.136427E-06 0.100000E-04    0.998603E+00
  56   -0.660504E-05    0.158083E+03  0.417820E-07 0.100000E-04    0.991860E+00
  57   -0.146815E-04    0.154377E+03  0.951016E-07 0.100000E-04    0.997282E+00
  58   -0.269151E-04    0.151810E+03  0.177295E-06 0.100000E-04    0.998897E+00
  59   -0.553833E-05    0.147895E+03  0.374476E-07 0.100000E-04    0.998714E+00
  60    0.250280E-04    0.143442E+03 -0.174482E-06 0.100000E-04    0.997816E+00
  61    0.349687E-04    0.137403E+03 -0.254496E-06 0.100000E-04    0.996926E+00
  62   -0.248968E-04    0.135938E+03  0.183149E-06 0.100000E-04    0.996525E+00
  63    0.195906E-04    0.130545E+03 -0.150068E-06 0.100000E-04    0.987023E+00
  64   -0.376671E-04    0.128425E+03  0.293301E-06 0.100000E-04    0.996716E+00
  65   -0.243280E-04    0.126411E+03  0.192453E-06 0.100000E-04    0.995654E+00
  66   -0.125674E-04    0.125201E+03  0.100377E-06 0.100000E-04    0.986956E+00
  67    0.132359E-04    0.119874E+03 -0.110414E-06 0.100000E-04    0.987731E+00
  68    0.904834E-05    0.118130E+03 -0.765962E-07 0.100000E-04    0.997483E+00
  69   -0.786209E-05    0.117107E+03  0.671357E-07 0.100000E-04    0.994821E+00
  70    0.314430E-04    0.110600E+03 -0.284295E-06 0.100000E-04    0.993101E+00
  71    0.707661E-05    0.107338E+03 -0.659285E-07 0.100000E-04    0.997733E+00
  72    0.757492E-04    0.104539E+03 -0.724606E-06 0.100000E-04    0.999214E+00
  73    0.300654E-04    0.103055E+03 -0.291742E-06 0.100000E-04    0.999464E+00
  74   -0.244375E-04    0.996964E+02  0.245119E-06 0.100000E-04    0.992410E+00
  75    0.835452E-04    0.957859E+02 -0.872208E-06 0.100000E-04    0.999637E+00
  76   -0.382027E-04    0.938215E+02  0.407185E-06 0.100000E-04    0.940279E+00
  77    0.309878E-04    0.937665E+02 -0.330479E-06 0.100000E-04    0.893726E+00
  78    0.130101E-04    0.908138E+02 -0.143261E-06 0.100000E-04    0.975284E+00
  79    0.713030E-05    0.892583E+02 -0.798839E-07 0.100000E-04    0.986362E+00
  80   -0.215207E-04    0.852297E+02  0.252502E-06 0.100000E-04    0.997670E+00
  81   -0.269233E-04    0.808842E+02  0.332863E-06 0.100000E-04    0.997550E+00
  82   -0.143776E-04    0.799935E+02  0.179734E-06 0.100000E-04    0.980147E+00
  83    0.151807E-04    0.781951E+02 -0.194139E-06 0.100000E-04    0.988700E+00
  84    0.552541E-04    0.730033E+02 -0.756870E-06 0.100000E-04    0.998774E+00
  85    0.321164E-04    0.725776E+02 -0.442511E-06 0.100000E-04    0.983949E+00
  86   -0.174474E-04    0.682156E+02  0.255768E-06 0.100000E-04    0.993902E+00
  87   -0.455435E-04    0.656328E+02  0.693914E-06 0.100000E-04    0.999876E+00
  88    0.130572E-04    0.626983E+02 -0.208255E-06 0.100000E-04    0.999646E+00
  89   -0.790018E-05    0.599494E+02  0.131781E-06 0.100000E-04    0.981568E+00
  90    0.589362E-04    0.594457E+02 -0.991429E-06 0.100000E-04    0.993790E+00
  91   -0.414782E-04    0.589393E+02  0.703745E-06 0.100000E-04    0.989510E+00
  92    0.616004E-04    0.560443E+02 -0.109914E-05 0.100000E-04    0.996511E+00
  93    0.468196E-06    0.525867E+02 -0.890333E-08 0.100000E-04    0.257396E+01
  94   -0.569932E-04    0.523162E+02  0.108940E-05 0.100000E-04    0.997411E+00
  95   -0.125707E-04    0.500140E+02  0.251344E-06 0.100000E-04    0.962056E+00
  96   -0.376653E-05    0.470897E+02  0.799862E-07 0.100000E-04    0.977336E+00
  97   -0.428814E-04    0.429088E+02  0.999360E-06 0.100000E-04    0.989332E+00
  98   -0.549935E-04    0.406064E+02  0.135431E-05 0.100000E-04    0.999031E+00
  99   -0.122000E-03    0.377356E+02  0.323302E-05 0.100000E-04    0.995331E+00
 100    0.832495E-04    0.363682E+02 -0.228907E-05 0.100000E-04    0.999592E+00
 101    0.265662E-04    0.336150E+02 -0.790308E-06 0.100000E-04    0.980690E+00
 102    0.108087E-03    0.287884E+02 -0.375454E-05 0.100000E-04    0.998299E+00
 103   -0.431505E-04    0.285479E+02  0.151151E-05 0.100000E-04    0.994085E+00
 104    0.125824E-03    0.268546E+02 -0.468537E-05 0.100000E-04    0.998088E+00
 105   -0.697446E-04    0.231490E+02  0.301285E-05 0.100000E-04    0.996355E+00
 106   -0.613019E-04    0.209874E+02  0.292088E-05 0.100000E-04    0.997318E+00
 107   -0.579045E-04    0.205887E+02  0.281244E-05 0.100000E-04    0.985562E+00
 108   -0.100828E-04    0.167441E+02  0.602170E-06 0.100000E-04    0.921871E+00
 109   -0.700885E-04    0.138310E+02  0.506751E-05 0.100000E-04    0.996319E+00
 110   -0.118300E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.479222E+00
 111   -0.863055E-03    0.100090E+02  0.100000E-04 0.100000E-04    0.625575E+00
 112    0.144523E-01    0.855539E+01 -0.169051E-04 0.169051E-04    0.481018E-01
 113   -0.315201E-01    0.649680E+01  0.347743E-04 0.347743E-04    0.195557E+00
 114   -0.784570E+00    0.379179E+01 -0.400000E-03 0.400000E-03    0.142167E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1987404063    

 Beginning of optimization cycle  413.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3325730678
 potential> RMS force:                                               0.0737023448   |gradient|=.7869257028    
 Eigenvalues of the Hessian matrix:
   738.78420    674.23792    628.04506    603.17532    587.45301    575.03975 
   567.06227    485.14094    463.08698    460.77380    441.58506    429.09732 
   422.07289    408.46800    396.96618    388.59068    368.65757    361.05356 
   350.20883    335.12455    327.20740    321.57199    319.92826    310.97129 
   302.71637    289.42124    278.42273    271.35223    267.56790    264.66490 
   261.08786    253.87632    241.88779    239.34183    234.12017    228.04148 
   218.43878    214.38711    212.85390    207.17051    203.52123    196.81144 
   194.97244    191.38713    183.47171    174.30939    172.24113    167.71398 
   164.33443    158.07152    154.38133    151.81569    147.88516    143.44349 
   137.40796    135.93797    130.54336    128.42919    126.41497    125.19488 
   119.87586    118.13097    117.10793    110.59537    107.33258    104.53614 
   103.05341     99.69561     95.78760     93.82983     93.75012     90.81745 
    89.25199     85.23272     80.88364     79.99586     78.19377     73.00695 
    72.58134     68.21436     65.62314     62.68889     59.95022     59.44254 
    58.93425     56.04390     52.58532     52.31573     50.01385     47.08302 
    42.91046     40.60925     37.73874     36.37004     33.60230     28.78822 
    28.54658     26.84717     23.15111     20.98806     20.58471     16.74270 
    13.83156     12.23853     10.01027      8.55317      6.48809      3.78606 
overlap for current and previous eigenvector    109 is        -0.9999997930
overlap for current and previous eigenvector    110 is         0.9999996689
overlap for current and previous eigenvector    111 is        -0.9999997245
overlap for current and previous eigenvector    112 is        -0.9999983361
overlap for current and previous eigenvector    113 is         0.9999982640
overlap for current and previous eigenvector    114 is        -0.9999996681
J1,K1,R1,R2,RAT=   7   7   -0.5309892714E-02     2.005130619        0.9946901073    
FOB,PFOB,DIAG,PSTEP=   -0.6975732278E-05   -0.6938884244E-05     738.7842008        0.9393143859E-08
J1,K1,R1,R2,RAT=   8   8   -0.8482207756E-02     2.008462662        0.9915177922    
FOB,PFOB,DIAG,PSTEP=   -0.6669345672E-05   -0.6613250162E-05     674.2379189        0.9808577370E-08
J1,K1,R1,R2,RAT=   9   9   -0.5984839731E-01     2.059801711        0.9401516027    
FOB,PFOB,DIAG,PSTEP=   -0.1892920822E-05   -0.1786027447E-05     628.0450576        0.2843855098E-08
J1,K1,R1,R2,RAT=  10  10   -0.1225457771E-02     2.001277486        0.9987745422    
FOB,PFOB,DIAG,PSTEP=    0.2685695847E-05    0.2682408754E-05     603.1753249       -0.4447030349E-08
J1,K1,R1,R2,RAT=  11  11    0.1676111480E-01     1.983270823        0.9832388852    
FOB,PFOB,DIAG,PSTEP=   -0.1893337708E-05   -0.1925612606E-05     587.4530149        0.3277848283E-08
J1,K1,R1,R2,RAT= 109 109     2.014934089       -0.1501943266E-01    0.9849805673    
FOB,PFOB,DIAG,PSTEP=    0.7114123052E-04   -0.7008849615E-04     13.83155683        0.5067505267E-05
J1,K1,R1,R2,RAT= 110 110   -0.5060168349         193.8297232        0.4939831651    
FOB,PFOB,DIAG,PSTEP=   -0.1189192013E-01   -0.1182999111E-01     12.23853124        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     16.87554720        0.3678479139        0.6321520861    
FOB,PFOB,DIAG,PSTEP=    0.8262323048E-03   -0.8630548595E-03     10.01026600        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     200.7726983       -0.8676517119        0.1323482881    
FOB,PFOB,DIAG,PSTEP=   -0.1457777494E-01    0.1445231958E-01     8.553173516       -0.1690505202E-04
J1,K1,R1,R2,RAT= 113 113   -0.7696942111         280.1793081        0.2303057889    
FOB,PFOB,DIAG,PSTEP=   -0.3169372000E-01   -0.3152006234E-01     6.488093910        0.3477431557E-04
J1,K1,R1,R2,RAT= 114 114    -1037.114429        0.9849192865        0.1508071354E-01
FOB,PFOB,DIAG,PSTEP=    0.7860615895       -0.7845700035         3.786061472       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001     -0.00001      0.00002 
     0.00002      0.00001     -0.00001      0.00003      0.00001      0.00002 
    -0.00003     -0.00002      0.00002      0.00004     -0.00002     -0.00001 
    -0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00008 
     0.00003     -0.00002      0.00008     -0.00004      0.00003      0.00001 
     0.00001     -0.00002     -0.00003     -0.00001      0.00002     -0.00006 
    -0.00003      0.00002     -0.00005      0.00001     -0.00001      0.00006 
     0.00004     -0.00006     -0.00000     -0.00006      0.00001      0.00000 
    -0.00004     -0.00005     -0.00012     -0.00008      0.00003     -0.00011 
    -0.00004      0.00013     -0.00007      0.00006      0.00006      0.00001 
     0.00007     -0.01189      0.00083     -0.01458     -0.03169      0.78606 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4100347552
 Log product of positive Hessian eigenvalues =          519.4765082520
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7860614721
 Unscaled step for mode    7=        0.0000000094
 Unscaled step for mode    8=        0.0000000099
 Unscaled step for mode    9=        0.0000000030
 Unscaled step for mode   10=       -0.0000000045
 Unscaled step for mode   11=        0.0000000032
 Unscaled step for mode   12=        0.0000000109
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000049
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000455
 Unscaled step for mode   20=       -0.0000000124
 Unscaled step for mode   21=       -0.0000000137
 Unscaled step for mode   22=        0.0000000280
 Unscaled step for mode   23=       -0.0000000048
 Unscaled step for mode   24=        0.0000000143
 Unscaled step for mode   25=        0.0000000664
 Unscaled step for mode   26=        0.0000001075
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000389
 Unscaled step for mode   29=       -0.0000000824
 Unscaled step for mode   30=        0.0000000790
 Unscaled step for mode   31=        0.0000000714
 Unscaled step for mode   32=        0.0000000344
 Unscaled step for mode   33=       -0.0000000526
 Unscaled step for mode   34=        0.0000000607
 Unscaled step for mode   35=       -0.0000000937
 Unscaled step for mode   36=       -0.0000000869
 Unscaled step for mode   37=        0.0000000806
 Unscaled step for mode   38=       -0.0000000143
 Unscaled step for mode   39=        0.0000000896
 Unscaled step for mode   40=        0.0000001053
 Unscaled step for mode   41=        0.0000001996
 Unscaled step for mode   42=        0.0000000815
 Unscaled step for mode   43=        0.0000000910
 Unscaled step for mode   44=        0.0000001722
 Unscaled step for mode   45=       -0.0000000145
 Unscaled step for mode   46=       -0.0000001586
 Unscaled step for mode   47=        0.0000001393
 Unscaled step for mode   48=       -0.0000000336
 Unscaled step for mode   49=       -0.0000001548
 Unscaled step for mode   50=       -0.0000000411
 Unscaled step for mode   51=        0.0000001000
 Unscaled step for mode   52=        0.0000000377
 Unscaled step for mode   53=        0.0000000868
 Unscaled step for mode   54=       -0.0000001371
 Unscaled step for mode   55=       -0.0000001370
 Unscaled step for mode   56=       -0.0000000428
 Unscaled step for mode   57=        0.0000000948
 Unscaled step for mode   58=       -0.0000001777
 Unscaled step for mode   59=       -0.0000000383
 Unscaled step for mode   60=       -0.0000001741
 Unscaled step for mode   61=        0.0000002536
 Unscaled step for mode   62=        0.0000001829
 Unscaled step for mode   63=       -0.0000001481
 Unscaled step for mode   64=       -0.0000002942
 Unscaled step for mode   65=        0.0000001910
 Unscaled step for mode   66=        0.0000000997
 Unscaled step for mode   67=        0.0000001127
 Unscaled step for mode   68=        0.0000000760
 Unscaled step for mode   69=       -0.0000000670
 Unscaled step for mode   70=        0.0000002858
 Unscaled step for mode   71=       -0.0000000665
 Unscaled step for mode   72=       -0.0000007267
 Unscaled step for mode   73=       -0.0000002909
 Unscaled step for mode   74=        0.0000002438
 Unscaled step for mode   75=       -0.0000008715
 Unscaled step for mode   76=        0.0000003932
 Unscaled step for mode   77=       -0.0000003453
 Unscaled step for mode   78=       -0.0000001425
 Unscaled step for mode   79=       -0.0000000798
 Unscaled step for mode   80=        0.0000002516
 Unscaled step for mode   81=        0.0000003346
 Unscaled step for mode   82=        0.0000001828
 Unscaled step for mode   83=       -0.0000001921
 Unscaled step for mode   84=        0.0000007573
 Unscaled step for mode   85=        0.0000004354
 Unscaled step for mode   86=       -0.0000002556
 Unscaled step for mode   87=        0.0000006910
 Unscaled step for mode   88=       -0.0000002147
 Unscaled step for mode   89=        0.0000001327
 Unscaled step for mode   90=       -0.0000009822
 Unscaled step for mode   91=       -0.0000007069
 Unscaled step for mode   92=        0.0000010992
 Unscaled step for mode   93=        0.0000000219
 Unscaled step for mode   94=        0.0000010907
 Unscaled step for mode   95=       -0.0000002470
 Unscaled step for mode   96=       -0.0000000796
 Unscaled step for mode   97=        0.0000009861
 Unscaled step for mode   98=        0.0000013520
 Unscaled step for mode   99=        0.0000032160
 Unscaled step for mode  100=        0.0000022740
 Unscaled step for mode  101=       -0.0000007651
 Unscaled step for mode  102=        0.0000037506
 Unscaled step for mode  103=        0.0000015257
 Unscaled step for mode  104=       -0.0000047217
 Unscaled step for mode  105=        0.0000029872
 Unscaled step for mode  106=       -0.0000028665
 Unscaled step for mode  107=       -0.0000027796
 Unscaled step for mode  108=       -0.0000004965
 Unscaled step for mode  109=       -0.0000051434
 Unscaled step for mode  110=        0.0009716778
 Unscaled step for mode  111=       -0.0000825385
 Unscaled step for mode  112=        0.0017043654
 Unscaled step for mode  113=        0.0048847881
 Unscaled step for mode  114=        0.1993675182
 Largest modulus ratio of non-zero e/values=           195.1326481    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.152656E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.503720E-15    0.100690E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.294903E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.326775E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.158890E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.294496E-16    0.974035E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.697573E-05    0.738784E+03  0.944218E-08 0.100000E-04    0.994690E+00
   8   -0.666935E-05    0.674238E+03  0.989168E-08 0.100000E-04    0.991518E+00
   9   -0.189292E-05    0.628045E+03  0.301399E-08 0.100000E-04    0.940152E+00
  10    0.268570E-05    0.603175E+03 -0.445260E-08 0.100000E-04    0.998775E+00
  11   -0.189334E-05    0.587453E+03  0.322296E-08 0.100000E-04    0.983239E+00
  12   -0.625219E-05    0.575040E+03  0.108726E-07 0.100000E-04    0.972295E+00
  13   -0.358819E-05    0.567062E+03  0.632769E-08 0.100000E-04    0.993176E+00
  14    0.239728E-05    0.485141E+03 -0.494141E-08 0.100000E-04    0.955975E+00
  15    0.201405E-05    0.463087E+03 -0.434918E-08 0.100000E-04    0.980107E+00
  16    0.732064E-05    0.460774E+03 -0.158877E-07 0.100000E-04    0.997192E+00
  17    0.436200E-05    0.441585E+03 -0.987805E-08 0.100000E-04    0.982477E+00
  18    0.457354E-05    0.429097E+03 -0.106585E-07 0.100000E-04    0.981824E+00
  19   -0.191893E-04    0.422073E+03  0.454644E-07 0.100000E-04    0.999948E+00
  20    0.508436E-05    0.408468E+03 -0.124474E-07 0.100000E-04    0.979402E+00
  21    0.545356E-05    0.396966E+03 -0.137381E-07 0.100000E-04    0.984051E+00
  22   -0.108868E-04    0.388591E+03  0.280160E-07 0.100000E-04    0.990367E+00
  23    0.176348E-05    0.368658E+03 -0.478351E-08 0.100000E-04    0.930404E+00
  24   -0.516219E-05    0.361054E+03  0.142976E-07 0.100000E-04    0.979501E+00
  25   -0.232472E-04    0.350209E+03  0.663808E-07 0.100000E-04    0.999223E+00
  26   -0.360378E-04    0.335125E+03  0.107535E-06 0.100000E-04    0.999574E+00
  27   -0.176703E-04    0.327207E+03  0.540034E-07 0.100000E-04    0.996743E+00
  28    0.125127E-04    0.321572E+03 -0.389111E-07 0.100000E-04    0.992580E+00
  29    0.263664E-04    0.319928E+03 -0.824135E-07 0.100000E-04    0.994242E+00
  30   -0.245694E-04    0.310971E+03  0.790085E-07 0.100000E-04    0.996790E+00
  31   -0.216255E-04    0.302716E+03  0.714381E-07 0.100000E-04    0.994146E+00
  32   -0.994860E-05    0.289421E+03  0.343741E-07 0.100000E-04    0.984535E+00
  33    0.146322E-04    0.278423E+03 -0.525540E-07 0.100000E-04    0.998368E+00
  34   -0.164576E-04    0.271352E+03  0.606504E-07 0.100000E-04    0.995472E+00
  35    0.250594E-04    0.267568E+03 -0.936562E-07 0.100000E-04    0.996577E+00
  36    0.230032E-04    0.264665E+03 -0.869146E-07 0.100000E-04    0.991750E+00
  37   -0.210541E-04    0.261088E+03  0.806401E-07 0.100000E-04    0.998827E+00
  38    0.362645E-05    0.253876E+03 -0.142843E-07 0.100000E-04    0.978592E+00
  39   -0.216631E-04    0.241888E+03  0.895585E-07 0.100000E-04    0.999213E+00
  40   -0.251984E-04    0.239342E+03  0.105282E-06 0.100000E-04    0.988572E+00
  41   -0.467231E-04    0.234120E+03  0.199569E-06 0.100000E-04    0.996660E+00
  42   -0.185916E-04    0.228041E+03  0.815275E-07 0.100000E-04    0.986606E+00
  43   -0.198816E-04    0.218439E+03  0.910169E-07 0.100000E-04    0.995383E+00
  44   -0.369195E-04    0.214387E+03  0.172210E-06 0.100000E-04    0.991046E+00
  45    0.308233E-05    0.212854E+03 -0.144810E-07 0.100000E-04    0.983271E+00
  46    0.328578E-04    0.207171E+03 -0.158603E-06 0.100000E-04    0.995391E+00
  47   -0.283564E-04    0.203521E+03  0.139329E-06 0.100000E-04    0.998621E+00
  48    0.661060E-05    0.196811E+03 -0.335885E-07 0.100000E-04    0.989644E+00
  49    0.301831E-04    0.194972E+03 -0.154807E-06 0.100000E-04    0.996573E+00
  50    0.786393E-05    0.191387E+03 -0.410891E-07 0.100000E-04    0.973444E+00
  51   -0.183493E-04    0.183472E+03  0.100012E-06 0.100000E-04    0.998819E+00
  52   -0.656538E-05    0.174309E+03  0.376651E-07 0.100000E-04    0.997789E+00
  53   -0.149539E-04    0.172241E+03  0.868195E-07 0.100000E-04    0.996635E+00
  54    0.229968E-04    0.167714E+03 -0.137119E-06 0.100000E-04    0.998596E+00
  55    0.225159E-04    0.164334E+03 -0.137013E-06 0.100000E-04    0.995768E+00
  56    0.677161E-05    0.158072E+03 -0.428389E-07 0.100000E-04    0.974780E+00
  57   -0.146410E-04    0.154381E+03  0.948367E-07 0.100000E-04    0.997184E+00
  58    0.269731E-04    0.151816E+03 -0.177670E-06 0.100000E-04    0.997844E+00
  59    0.566075E-05    0.147885E+03 -0.382780E-07 0.100000E-04    0.977893E+00
  60    0.249761E-04    0.143443E+03 -0.174118E-06 0.100000E-04    0.997901E+00
  61   -0.348533E-04    0.137408E+03  0.253648E-06 0.100000E-04    0.996634E+00
  62   -0.248664E-04    0.135938E+03  0.182925E-06 0.100000E-04    0.998775E+00
  63    0.193362E-04    0.130543E+03 -0.148121E-06 0.100000E-04    0.987015E+00
  64    0.377835E-04    0.128429E+03 -0.294197E-06 0.100000E-04    0.996912E+00
  65   -0.241448E-04    0.126415E+03  0.190996E-06 0.100000E-04    0.992397E+00
  66   -0.124848E-04    0.125195E+03  0.997231E-07 0.100000E-04    0.993432E+00
  67   -0.135151E-04    0.119876E+03  0.112742E-06 0.100000E-04    0.978903E+00
  68   -0.897250E-05    0.118131E+03  0.759538E-07 0.100000E-04    0.991609E+00
  69    0.784946E-05    0.117108E+03 -0.670275E-07 0.100000E-04    0.998385E+00
  70   -0.316050E-04    0.110595E+03  0.285772E-06 0.100000E-04    0.994846E+00
  71    0.713983E-05    0.107333E+03 -0.665206E-07 0.100000E-04    0.991066E+00
  72    0.759682E-04    0.104536E+03 -0.726717E-06 0.100000E-04    0.997110E+00
  73    0.299773E-04    0.103053E+03 -0.290891E-06 0.100000E-04    0.997070E+00
  74   -0.243107E-04    0.996956E+02  0.243849E-06 0.100000E-04    0.994810E+00
  75    0.834819E-04    0.957876E+02 -0.871532E-06 0.100000E-04    0.999208E+00
  76   -0.368922E-04    0.938298E+02  0.393182E-06 0.100000E-04    0.965521E+00
  77    0.323742E-04    0.937501E+02 -0.345324E-06 0.100000E-04    0.955252E+00
  78    0.129398E-04    0.908175E+02 -0.142482E-06 0.100000E-04    0.994517E+00
  79    0.712087E-05    0.892520E+02 -0.797839E-07 0.100000E-04    0.998678E+00
  80   -0.214422E-04    0.852327E+02  0.251572E-06 0.100000E-04    0.996282E+00
  81   -0.270628E-04    0.808836E+02  0.334589E-06 0.100000E-04    0.994819E+00
  82   -0.146220E-04    0.799959E+02  0.182785E-06 0.100000E-04    0.982998E+00
  83    0.150211E-04    0.781938E+02 -0.192102E-06 0.100000E-04    0.989488E+00
  84   -0.552875E-04    0.730070E+02  0.757291E-06 0.100000E-04    0.999395E+00
  85   -0.316047E-04    0.725813E+02  0.435438E-06 0.100000E-04    0.983963E+00
  86    0.174388E-04    0.682144E+02 -0.255647E-06 0.100000E-04    0.999508E+00
  87   -0.453444E-04    0.656231E+02  0.690983E-06 0.100000E-04    0.995628E+00
  88    0.134567E-04    0.626889E+02 -0.214658E-06 0.100000E-04    0.969405E+00
  89   -0.795587E-05    0.599502E+02  0.132708E-06 0.100000E-04    0.992950E+00
  90    0.583827E-04    0.594425E+02 -0.982170E-06 0.100000E-04    0.990608E+00
  91    0.416627E-04    0.589343E+02 -0.706936E-06 0.100000E-04    0.995552E+00
  92   -0.616062E-04    0.560439E+02  0.109925E-05 0.100000E-04    0.999906E+00
  93   -0.115388E-05    0.525853E+02  0.219429E-07 0.100000E-04    0.464551E+00
  94   -0.570604E-04    0.523157E+02  0.109069E-05 0.100000E-04    0.998822E+00
  95    0.123541E-04    0.500138E+02 -0.247014E-06 0.100000E-04    0.982770E+00
  96    0.374557E-05    0.470830E+02 -0.795524E-07 0.100000E-04    0.994434E+00
  97   -0.423125E-04    0.429105E+02  0.986065E-06 0.100000E-04    0.986658E+00
  98   -0.549042E-04    0.406092E+02  0.135201E-05 0.100000E-04    0.998236E+00
  99   -0.121369E-03    0.377387E+02  0.321604E-05 0.100000E-04    0.994665E+00
 100   -0.827054E-04    0.363700E+02  0.227400E-05 0.100000E-04    0.993366E+00
 101    0.257106E-04    0.336023E+02 -0.765144E-06 0.100000E-04    0.967782E+00
 102   -0.107974E-03    0.287882E+02  0.375064E-05 0.100000E-04    0.998956E+00
 103   -0.435548E-04    0.285466E+02  0.152575E-05 0.100000E-04    0.990628E+00
 104    0.126764E-03    0.268472E+02 -0.472168E-05 0.100000E-04    0.992528E+00
 105   -0.691577E-04    0.231511E+02  0.298723E-05 0.100000E-04    0.991405E+00
 106    0.601615E-04    0.209881E+02 -0.286646E-05 0.100000E-04    0.981338E+00
 107    0.572162E-04    0.205847E+02 -0.277955E-05 0.100000E-04    0.988111E+00
 108    0.831268E-05    0.167427E+02 -0.496496E-06 0.100000E-04    0.824428E+00
 109    0.711412E-04    0.138316E+02 -0.514340E-05 0.100000E-04    0.984981E+00
 110   -0.118919E-01    0.122385E+02  0.100000E-04 0.100000E-04    0.493983E+00
 111    0.826232E-03    0.100103E+02 -0.100000E-04 0.100000E-04    0.632152E+00
 112   -0.145778E-01    0.855317E+01  0.184265E-04 0.184265E-04    0.132348E+00
 113   -0.316937E-01    0.648809E+01  0.313282E-04 0.313282E-04    0.230306E+00
 114    0.786062E+00    0.378606E+01  0.400000E-03 0.400000E-03    0.150807E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1993675182    

 Beginning of optimization cycle  414.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3322597251
 potential> RMS force:                                               0.0738426886   |gradient|=.7884241646    
 Eigenvalues of the Hessian matrix:
   738.85035    674.24488    628.05967    603.15931    587.44387    575.08132 
   567.05951    485.16800    463.06369    460.76770    441.58814    429.09120 
   422.07425    408.47164    396.96115    388.58558    368.66849    361.04589 
   350.20074    335.11821    327.22493    321.57617    319.91703    310.95521 
   302.69880    289.43207    278.41967    271.36292    267.57531    264.66780 
   261.10956    253.87334    241.88285    239.35491    234.11125    228.03422 
   218.41841    214.39399    212.86068    207.17136    203.51905    196.80129 
   194.96865    191.38540    183.46248    174.30241    172.24437    167.71710 
   164.32500    158.05972    154.38606    151.82149    147.87504    143.44529 
   137.41243    135.93814    130.54205    128.43342    126.41937    125.18873 
   119.87726    118.13158    117.10843    110.59099    107.32756    104.53385 
   103.05206     99.69482     95.78938     93.83817     93.73369     90.82102 
    89.24566     85.23565     80.88310     79.99814     78.19251     73.01068 
    72.58521     68.21330     65.61362     62.67944     59.95101     59.43960 
    58.92914     56.04359     52.58408     52.31532     50.01365     47.07637 
    42.91206     40.61212     37.74197     36.37204     33.58969     28.78807 
    28.54529     26.83974     23.15315     20.98896     20.58047     16.74133 
    13.83215     12.23855     10.01157      8.55093      6.47940      3.78033 
overlap for current and previous eigenvector    109 is        -0.9999997976
overlap for current and previous eigenvector    110 is         0.9999996739
overlap for current and previous eigenvector    111 is         0.9999997378
overlap for current and previous eigenvector    112 is         0.9999983689
overlap for current and previous eigenvector    113 is         0.9999982932
overlap for current and previous eigenvector    114 is        -0.9999996794
J1,K1,R1,R2,RAT=   7   7   -0.5810305888E-02     2.005631234        0.9941896941    
FOB,PFOB,DIAG,PSTEP=   -0.7016267046E-05   -0.6975732278E-05     738.8503544        0.9442178474E-08
J1,K1,R1,R2,RAT=   8   8    0.5108664349E-02     1.994870685        0.9948706849    
FOB,PFOB,DIAG,PSTEP=   -0.6635273872E-05   -0.6669345672E-05     674.2448807        0.9891679903E-08
J1,K1,R1,R2,RAT=   9   9    0.6763886725E-02     1.993189581        0.9931895807    
FOB,PFOB,DIAG,PSTEP=   -0.1880117022E-05   -0.1892920822E-05     628.0596703        0.3013988884E-08
J1,K1,R1,R2,RAT=  10  10   -0.2776234438E-01     2.027815456        0.9722376556    
FOB,PFOB,DIAG,PSTEP=    0.2760255080E-05    0.2685695847E-05     603.1593076       -0.4452595682E-08
J1,K1,R1,R2,RAT=  11  11   -0.1359899756E-01     2.013630129        0.9864010024    
FOB,PFOB,DIAG,PSTEP=   -0.1919084802E-05   -0.1893337708E-05     587.4438709        0.3222960236E-08
J1,K1,R1,R2,RAT= 109 109     1.998003121        0.1911038113E-02    0.9980031206    
FOB,PFOB,DIAG,PSTEP=   -0.7100527108E-04    0.7114123052E-04     13.83215051       -0.5143400081E-05
J1,K1,R1,R2,RAT= 110 110   -0.5291539642         194.8645896        0.4708460358    
FOB,PFOB,DIAG,PSTEP=   -0.1195668091E-01   -0.1189192013E-01     12.23855042        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3680235171         16.13753030        0.6319764829    
FOB,PFOB,DIAG,PSTEP=    0.7893873831E-03    0.8262323048E-03     10.01156719       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6899579858         185.7297026        0.3100420142    
FOB,PFOB,DIAG,PSTEP=   -0.1468648729E-01   -0.1457777494E-01     8.550927159        0.1842650671E-04
J1,K1,R1,R2,RAT= 113 113   -0.8886764603         313.1607463        0.1113235397    
FOB,PFOB,DIAG,PSTEP=   -0.3187411053E-01   -0.3169372000E-01     6.479395028        0.3132821223E-04
J1,K1,R1,R2,RAT= 114 114    -1040.658277        0.9852726489        0.1472735113E-01
FOB,PFOB,DIAG,PSTEP=   -0.7875514522        0.7860615895         3.780330864        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002      0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00001     -0.00003     -0.00001     -0.00002 
    -0.00004     -0.00002     -0.00002     -0.00004     -0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001      0.00008 
     0.00003     -0.00002      0.00008      0.00004     -0.00003      0.00001 
     0.00001      0.00002      0.00003     -0.00001     -0.00001     -0.00006 
     0.00003     -0.00002     -0.00005     -0.00001      0.00001      0.00006 
    -0.00004      0.00006      0.00000     -0.00006     -0.00001      0.00000 
     0.00004      0.00006      0.00012      0.00008      0.00003     -0.00011 
     0.00004      0.00013     -0.00007     -0.00006      0.00005      0.00001 
    -0.00007     -0.01196      0.00079     -0.01469     -0.03187     -0.78755 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4097988023
 Log product of positive Hessian eigenvalues =          519.4721750700
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7803308645
 Unscaled step for mode    7=        0.0000000095
 Unscaled step for mode    8=        0.0000000098
 Unscaled step for mode    9=        0.0000000030
 Unscaled step for mode   10=       -0.0000000046
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000108
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000050
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000100
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000456
 Unscaled step for mode   20=       -0.0000000125
 Unscaled step for mode   21=       -0.0000000138
 Unscaled step for mode   22=        0.0000000281
 Unscaled step for mode   23=       -0.0000000046
 Unscaled step for mode   24=        0.0000000144
 Unscaled step for mode   25=        0.0000000665
 Unscaled step for mode   26=        0.0000001078
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000389
 Unscaled step for mode   29=       -0.0000000832
 Unscaled step for mode   30=        0.0000000786
 Unscaled step for mode   31=        0.0000000714
 Unscaled step for mode   32=        0.0000000345
 Unscaled step for mode   33=       -0.0000000530
 Unscaled step for mode   34=        0.0000000611
 Unscaled step for mode   35=       -0.0000000934
 Unscaled step for mode   36=       -0.0000000869
 Unscaled step for mode   37=        0.0000000808
 Unscaled step for mode   38=       -0.0000000145
 Unscaled step for mode   39=        0.0000000898
 Unscaled step for mode   40=        0.0000001059
 Unscaled step for mode   41=        0.0000001997
 Unscaled step for mode   42=        0.0000000815
 Unscaled step for mode   43=        0.0000000908
 Unscaled step for mode   44=        0.0000001723
 Unscaled step for mode   45=       -0.0000000153
 Unscaled step for mode   46=       -0.0000001589
 Unscaled step for mode   47=        0.0000001387
 Unscaled step for mode   48=       -0.0000000340
 Unscaled step for mode   49=       -0.0000001545
 Unscaled step for mode   50=       -0.0000000426
 Unscaled step for mode   51=        0.0000000998
 Unscaled step for mode   52=       -0.0000000379
 Unscaled step for mode   53=        0.0000000871
 Unscaled step for mode   54=        0.0000001372
 Unscaled step for mode   55=       -0.0000001371
 Unscaled step for mode   56=       -0.0000000431
 Unscaled step for mode   57=       -0.0000000956
 Unscaled step for mode   58=        0.0000001777
 Unscaled step for mode   59=        0.0000000389
 Unscaled step for mode   60=        0.0000001742
 Unscaled step for mode   61=        0.0000002559
 Unscaled step for mode   62=        0.0000001825
 Unscaled step for mode   63=        0.0000001495
 Unscaled step for mode   64=        0.0000002955
 Unscaled step for mode   65=        0.0000001926
 Unscaled step for mode   66=       -0.0000000997
 Unscaled step for mode   67=        0.0000001123
 Unscaled step for mode   68=       -0.0000000762
 Unscaled step for mode   69=        0.0000000680
 Unscaled step for mode   70=        0.0000002842
 Unscaled step for mode   71=       -0.0000000663
 Unscaled step for mode   72=       -0.0000007305
 Unscaled step for mode   73=       -0.0000002912
 Unscaled step for mode   74=        0.0000002446
 Unscaled step for mode   75=       -0.0000008723
 Unscaled step for mode   76=       -0.0000003857
 Unscaled step for mode   77=        0.0000003556
 Unscaled step for mode   78=       -0.0000001421
 Unscaled step for mode   79=       -0.0000000803
 Unscaled step for mode   80=       -0.0000002503
 Unscaled step for mode   81=       -0.0000003351
 Unscaled step for mode   82=        0.0000001822
 Unscaled step for mode   83=        0.0000001894
 Unscaled step for mode   84=        0.0000007643
 Unscaled step for mode   85=       -0.0000004368
 Unscaled step for mode   86=        0.0000002590
 Unscaled step for mode   87=        0.0000006940
 Unscaled step for mode   88=        0.0000002171
 Unscaled step for mode   89=       -0.0000001259
 Unscaled step for mode   90=       -0.0000009797
 Unscaled step for mode   91=        0.0000007231
 Unscaled step for mode   92=       -0.0000010935
 Unscaled step for mode   93=       -0.0000000289
 Unscaled step for mode   94=        0.0000010950
 Unscaled step for mode   95=        0.0000002524
 Unscaled step for mode   96=       -0.0000000880
 Unscaled step for mode   97=       -0.0000010012
 Unscaled step for mode   98=       -0.0000013609
 Unscaled step for mode   99=       -0.0000032308
 Unscaled step for mode  100=       -0.0000022701
 Unscaled step for mode  101=       -0.0000007910
 Unscaled step for mode  102=        0.0000037702
 Unscaled step for mode  103=       -0.0000015300
 Unscaled step for mode  104=       -0.0000047695
 Unscaled step for mode  105=        0.0000030034
 Unscaled step for mode  106=        0.0000029571
 Unscaled step for mode  107=       -0.0000026124
 Unscaled step for mode  108=       -0.0000005932
 Unscaled step for mode  109=        0.0000051334
 Unscaled step for mode  110=        0.0009769678
 Unscaled step for mode  111=       -0.0000788475
 Unscaled step for mode  112=        0.0017175265
 Unscaled step for mode  113=        0.0049191844
 Unscaled step for mode  114=       -0.1999959030
 Largest modulus ratio of non-zero e/values=           195.4459493    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.979902E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.688252E-15    0.100689E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.302926E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.455799E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.419922E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.404733E-15    0.974037E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.701627E-05    0.738850E+03  0.949620E-08 0.100000E-04    0.994190E+00
   8   -0.663527E-05    0.674245E+03  0.984104E-08 0.100000E-04    0.994871E+00
   9   -0.188012E-05    0.628060E+03  0.299353E-08 0.100000E-04    0.993190E+00
  10    0.276026E-05    0.603159E+03 -0.457633E-08 0.100000E-04    0.972238E+00
  11   -0.191908E-05    0.587444E+03  0.326684E-08 0.100000E-04    0.986401E+00
  12   -0.621511E-05    0.575081E+03  0.108074E-07 0.100000E-04    0.993925E+00
  13   -0.355509E-05    0.567060E+03  0.626934E-08 0.100000E-04    0.990774E+00
  14    0.240190E-05    0.485168E+03 -0.495065E-08 0.100000E-04    0.998073E+00
  15    0.200535E-05    0.463064E+03 -0.433061E-08 0.100000E-04    0.995681E+00
  16    0.736595E-05    0.460768E+03 -0.159863E-07 0.100000E-04    0.993810E+00
  17    0.443054E-05    0.441588E+03 -0.100332E-07 0.100000E-04    0.984288E+00
  18    0.457922E-05    0.429091E+03 -0.106719E-07 0.100000E-04    0.998758E+00
  19   -0.192635E-04    0.422074E+03  0.456401E-07 0.100000E-04    0.996132E+00
  20    0.509948E-05    0.408472E+03 -0.124843E-07 0.100000E-04    0.997025E+00
  21    0.547082E-05    0.396961E+03 -0.137818E-07 0.100000E-04    0.996834E+00
  22   -0.109329E-04    0.388586E+03  0.281350E-07 0.100000E-04    0.995765E+00
  23    0.168477E-05    0.368668E+03 -0.456989E-08 0.100000E-04    0.955312E+00
  24   -0.518829E-05    0.361046E+03  0.143702E-07 0.100000E-04    0.994944E+00
  25   -0.232922E-04    0.350201E+03  0.665109E-07 0.100000E-04    0.998064E+00
  26   -0.361142E-04    0.335118E+03  0.107765E-06 0.100000E-04    0.997880E+00
  27   -0.176789E-04    0.327225E+03  0.540267E-07 0.100000E-04    0.999515E+00
  28    0.124969E-04    0.321576E+03 -0.388615E-07 0.100000E-04    0.998713E+00
  29    0.266145E-04    0.319917E+03 -0.831919E-07 0.100000E-04    0.990591E+00
  30   -0.244321E-04    0.310955E+03  0.785712E-07 0.100000E-04    0.994413E+00
  31   -0.216033E-04    0.302699E+03  0.713688E-07 0.100000E-04    0.998972E+00
  32   -0.998891E-05    0.289432E+03  0.345121E-07 0.100000E-04    0.995948E+00
  33    0.147427E-04    0.278420E+03 -0.529512E-07 0.100000E-04    0.992453E+00
  34   -0.165850E-04    0.271363E+03  0.611172E-07 0.100000E-04    0.992264E+00
  35    0.249839E-04    0.267575E+03 -0.933715E-07 0.100000E-04    0.996933E+00
  36    0.230095E-04    0.264668E+03 -0.869374E-07 0.100000E-04    0.999727E+00
  37   -0.210919E-04    0.261110E+03  0.807780E-07 0.100000E-04    0.998207E+00
  38    0.367707E-05    0.253873E+03 -0.144839E-07 0.100000E-04    0.986042E+00
  39   -0.217237E-04    0.241883E+03  0.898108E-07 0.100000E-04    0.997204E+00
  40   -0.253487E-04    0.239355E+03  0.105904E-06 0.100000E-04    0.994036E+00
  41   -0.467509E-04    0.234111E+03  0.199695E-06 0.100000E-04    0.999406E+00
  42   -0.185818E-04    0.228034E+03  0.814869E-07 0.100000E-04    0.999471E+00
  43   -0.198302E-04    0.218418E+03  0.907898E-07 0.100000E-04    0.997412E+00
  44   -0.369459E-04    0.214394E+03  0.172327E-06 0.100000E-04    0.999284E+00
  45    0.325258E-05    0.212861E+03 -0.152803E-07 0.100000E-04    0.944768E+00
  46    0.329144E-04    0.207171E+03 -0.158875E-06 0.100000E-04    0.998277E+00
  47   -0.282374E-04    0.203519E+03  0.138746E-06 0.100000E-04    0.995802E+00
  48    0.668798E-05    0.196801E+03 -0.339834E-07 0.100000E-04    0.988294E+00
  49    0.301144E-04    0.194969E+03 -0.154458E-06 0.100000E-04    0.997724E+00
  50    0.815968E-05    0.191385E+03 -0.426348E-07 0.100000E-04    0.962392E+00
  51   -0.183157E-04    0.183462E+03  0.998337E-07 0.100000E-04    0.998169E+00
  52    0.660414E-05    0.174302E+03 -0.378889E-07 0.100000E-04    0.994098E+00
  53   -0.150063E-04    0.172244E+03  0.871222E-07 0.100000E-04    0.996494E+00
  54   -0.230031E-04    0.167717E+03  0.137154E-06 0.100000E-04    0.999727E+00
  55    0.225293E-04    0.164325E+03 -0.137102E-06 0.100000E-04    0.999403E+00
  56    0.681612E-05    0.158060E+03 -0.431237E-07 0.100000E-04    0.993427E+00
  57    0.147580E-04    0.154386E+03 -0.955916E-07 0.100000E-04    0.992009E+00
  58   -0.269784E-04    0.151821E+03  0.177698E-06 0.100000E-04    0.999804E+00
  59   -0.575486E-05    0.147875E+03  0.389170E-07 0.100000E-04    0.983374E+00
  60   -0.249826E-04    0.143445E+03  0.174161E-06 0.100000E-04    0.999740E+00
  61   -0.351660E-04    0.137412E+03  0.255915E-06 0.100000E-04    0.991029E+00
  62   -0.248145E-04    0.135938E+03  0.182543E-06 0.100000E-04    0.997910E+00
  63   -0.195195E-04    0.130542E+03  0.149527E-06 0.100000E-04    0.990520E+00
  64   -0.379525E-04    0.128433E+03  0.295503E-06 0.100000E-04    0.995527E+00
  65   -0.243516E-04    0.126419E+03  0.192626E-06 0.100000E-04    0.991432E+00
  66    0.124768E-04    0.125189E+03 -0.996641E-07 0.100000E-04    0.999359E+00
  67   -0.134655E-04    0.119877E+03  0.112327E-06 0.100000E-04    0.996306E+00
  68    0.899619E-05    0.118132E+03 -0.761540E-07 0.100000E-04    0.997360E+00
  69   -0.796914E-05    0.117108E+03  0.680493E-07 0.100000E-04    0.984752E+00
  70   -0.314342E-04    0.110591E+03  0.284238E-06 0.100000E-04    0.994595E+00
  71    0.711301E-05    0.107328E+03 -0.662738E-07 0.100000E-04    0.996243E+00
  72    0.763654E-04    0.104534E+03 -0.730532E-06 0.100000E-04    0.994771E+00
  73    0.300122E-04    0.103052E+03 -0.291234E-06 0.100000E-04    0.998833E+00
  74   -0.243828E-04    0.996948E+02  0.244574E-06 0.100000E-04    0.997033E+00
  75    0.835552E-04    0.957894E+02 -0.872280E-06 0.100000E-04    0.999123E+00
  76    0.361924E-04    0.938382E+02 -0.385690E-06 0.100000E-04    0.980856E+00
  77   -0.333272E-04    0.937337E+02  0.355552E-06 0.100000E-04    0.970559E+00
  78    0.129020E-04    0.908210E+02 -0.142059E-06 0.100000E-04    0.996998E+00
  79    0.716364E-05    0.892457E+02 -0.802688E-07 0.100000E-04    0.993993E+00
  80    0.213379E-04    0.852356E+02 -0.250340E-06 0.100000E-04    0.995066E+00
  81    0.271078E-04    0.808831E+02 -0.335148E-06 0.100000E-04    0.998338E+00
  82   -0.145736E-04    0.799981E+02  0.182174E-06 0.100000E-04    0.996630E+00
  83   -0.148109E-04    0.781925E+02  0.189416E-06 0.100000E-04    0.986002E+00
  84   -0.558001E-04    0.730107E+02  0.764273E-06 0.100000E-04    0.990730E+00
  85    0.317081E-04    0.725852E+02 -0.436840E-06 0.100000E-04    0.996726E+00
  86   -0.176649E-04    0.682133E+02  0.258966E-06 0.100000E-04    0.987032E+00
  87   -0.455330E-04    0.656136E+02  0.693956E-06 0.100000E-04    0.995842E+00
  88   -0.136107E-04    0.626794E+02  0.217148E-06 0.100000E-04    0.988549E+00
  89    0.754830E-05    0.599510E+02 -0.125908E-06 0.100000E-04    0.948745E+00
  90    0.582341E-04    0.594396E+02 -0.979719E-06 0.100000E-04    0.997456E+00
  91   -0.426113E-04    0.589291E+02  0.723094E-06 0.100000E-04    0.977231E+00
  92    0.612842E-04    0.560436E+02 -0.109351E-05 0.100000E-04    0.994773E+00
  93    0.152101E-05    0.525841E+02 -0.289254E-07 0.100000E-04    0.681815E+00
  94   -0.572858E-04    0.523153E+02  0.109501E-05 0.100000E-04    0.996049E+00
  95   -0.126243E-04    0.500137E+02  0.252418E-06 0.100000E-04    0.978129E+00
  96    0.414368E-05    0.470764E+02 -0.880205E-07 0.100000E-04    0.893695E+00
  97    0.429651E-04    0.429121E+02 -0.100124E-05 0.100000E-04    0.984577E+00
  98    0.552680E-04    0.406121E+02 -0.136087E-05 0.100000E-04    0.993374E+00
  99    0.121937E-03    0.377420E+02 -0.323081E-05 0.100000E-04    0.995322E+00
 100    0.825697E-04    0.363720E+02 -0.227014E-05 0.100000E-04    0.998249E+00
 101    0.265704E-04    0.335897E+02 -0.791027E-06 0.100000E-04    0.966547E+00
 102   -0.108536E-03    0.287881E+02  0.377018E-05 0.100000E-04    0.994798E+00
 103    0.436734E-04    0.285453E+02 -0.152997E-05 0.100000E-04    0.997278E+00
 104    0.128013E-03    0.268397E+02 -0.476954E-05 0.100000E-04    0.990140E+00
 105   -0.695393E-04    0.231532E+02  0.300345E-05 0.100000E-04    0.994482E+00
 106   -0.620656E-04    0.209890E+02  0.295706E-05 0.100000E-04    0.968351E+00
 107    0.537644E-04    0.205805E+02 -0.261240E-05 0.100000E-04    0.939658E+00
 108    0.993163E-05    0.167413E+02 -0.593240E-06 0.100000E-04    0.805228E+00
 109   -0.710053E-04    0.138322E+02  0.513335E-05 0.100000E-04    0.998003E+00
 110   -0.119567E-01    0.122386E+02  0.100000E-04 0.100000E-04    0.470846E+00
 111    0.789387E-03    0.100116E+02 -0.100000E-04 0.100000E-04    0.631976E+00
 112   -0.146865E-01    0.855093E+01  0.166005E-04 0.166005E-04    0.310042E+00
 113   -0.318741E-01    0.647940E+01  0.341478E-04 0.341478E-04    0.111324E+00
 114   -0.787551E+00    0.378033E+01 -0.400000E-03 0.400000E-03    0.147274E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.1999959030    

 Beginning of optimization cycle  415.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3319458575
 potential> RMS force:                                               0.0739827715   |gradient|=.7899198401    
 Eigenvalues of the Hessian matrix:
   738.91664    674.25150    628.07432    603.14350    587.43456    575.12310 
   567.05652    485.19494    463.04039    460.76160    441.59122    429.08534 
   422.07567    408.47525    396.95613    388.58053    368.67948    361.03827 
   350.19287    335.11212    327.24259    321.58030    319.90589    310.93927 
   302.68129    289.44297    278.41674    271.37379    267.58285    264.67070 
   261.13169    253.87039    241.87805    239.36809    234.10250    228.02705 
   218.39803    214.40093    212.86750    207.17233    203.51681    196.79112 
   194.96495    191.38365    183.45332    174.29551    172.24756    167.72033 
   164.31551    158.04786    154.39081    151.82727    147.86483    143.44701 
   137.41697    135.93830    130.54065    128.43768    126.42377    125.18246 
   119.87862    118.13214    117.10884    110.58662    107.32250    104.53150 
   103.05067     99.69399     95.79118     93.84644     93.71718     90.82462 
    89.23930     85.23861     80.88255     80.00049     78.19120     73.01435 
    72.58897     68.21210     65.60411     62.66987     59.95181     59.43667 
    58.92384     56.04320     52.58279     52.31483     50.01346     47.06961 
    42.91372     40.61497     37.74510     36.37381     33.57703     28.78791 
    28.54399     26.83230     23.15523     20.98996     20.57606     16.73991 
    13.83274     12.23857     10.01288      8.54873      6.47066      3.77460 
overlap for current and previous eigenvector    109 is        -0.9999997942
overlap for current and previous eigenvector    110 is        -0.9999996718
overlap for current and previous eigenvector    111 is        -0.9999997309
overlap for current and previous eigenvector    112 is        -0.9999983909
overlap for current and previous eigenvector    113 is         0.9999983140
overlap for current and previous eigenvector    114 is         0.9999996728
J1,K1,R1,R2,RAT=   7   7   -0.4227433497E-02     2.004048027        0.9957725665    
FOB,PFOB,DIAG,PSTEP=   -0.7045930509E-05   -0.7016267046E-05     738.9166376        0.9496195006E-08
J1,K1,R1,R2,RAT=   8   8   -0.1038100063E-01     2.010361367        0.9896189994    
FOB,PFOB,DIAG,PSTEP=   -0.6704155330E-05   -0.6635273872E-05     674.2514997        0.9841044495E-08
J1,K1,R1,R2,RAT=   9   9   -0.2091450181E-01     2.020867859        0.9790854982    
FOB,PFOB,DIAG,PSTEP=   -0.1919439650E-05   -0.1880117022E-05     628.0743178        0.2993532480E-08
J1,K1,R1,R2,RAT=  10  10    0.1609948319E-01     1.983952937        0.9839005168    
FOB,PFOB,DIAG,PSTEP=    0.2715817564E-05    0.2760255080E-05     603.1434992       -0.4576328418E-08
J1,K1,R1,R2,RAT=  11  11   -0.5038167948E-02     2.005069858        0.9949618321    
FOB,PFOB,DIAG,PSTEP=   -0.1928753320E-05   -0.1919084802E-05     587.4345629        0.3266839433E-08
J1,K1,R1,R2,RAT= 109 109     1.996288243        0.3626500074E-02    0.9962882430    
FOB,PFOB,DIAG,PSTEP=    0.7074775948E-04   -0.7100527108E-04     13.83274018        0.5133350090E-05
J1,K1,R1,R2,RAT= 110 110     195.9033863       -0.5099314533        0.4900685467    
FOB,PFOB,DIAG,PSTEP=    0.1201908922E-01   -0.1195668091E-01     12.23856850        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     15.39418436        0.3732589874        0.6267410126    
FOB,PFOB,DIAG,PSTEP=   -0.7520134185E-03    0.7893873831E-03     10.01287737       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     207.8752026       -0.8961993146        0.1038006854    
FOB,PFOB,DIAG,PSTEP=    0.1481366946E-01   -0.1468648729E-01     8.548730132        0.1660045649E-04
J1,K1,R1,R2,RAT= 113 113   -0.7908096795         289.2985064        0.2091903205    
FOB,PFOB,DIAG,PSTEP=   -0.3204884663E-01   -0.3187411053E-01     6.470659640        0.3414775133E-04
J1,K1,R1,R2,RAT= 114 114    0.9848488031        -1044.210861        0.1515119693E-01
FOB,PFOB,DIAG,PSTEP=   -0.7890384149       -0.7875514522         3.774596506       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001     -0.00002      0.00002 
     0.00002      0.00001     -0.00001      0.00003      0.00001      0.00003 
    -0.00004      0.00002      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001      0.00001     -0.00001      0.00003     -0.00001     -0.00008 
     0.00003     -0.00002      0.00008      0.00004     -0.00003      0.00001 
     0.00001     -0.00002     -0.00003      0.00001      0.00001     -0.00006 
     0.00003      0.00002      0.00005      0.00001      0.00001     -0.00006 
    -0.00004     -0.00006      0.00000      0.00006      0.00001      0.00000 
    -0.00004      0.00006      0.00012      0.00008      0.00003     -0.00011 
     0.00004     -0.00013     -0.00007     -0.00006      0.00005      0.00001 
     0.00007      0.01202     -0.00075      0.01481     -0.03205     -0.78904 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4095693176
 Log product of positive Hessian eigenvalues =          519.4678111851
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7745965064
 Unscaled step for mode    7=        0.0000000095
 Unscaled step for mode    8=        0.0000000099
 Unscaled step for mode    9=        0.0000000031
 Unscaled step for mode   10=       -0.0000000045
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000110
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000051
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000456
 Unscaled step for mode   20=       -0.0000000124
 Unscaled step for mode   21=       -0.0000000137
 Unscaled step for mode   22=        0.0000000282
 Unscaled step for mode   23=       -0.0000000048
 Unscaled step for mode   24=        0.0000000145
 Unscaled step for mode   25=        0.0000000666
 Unscaled step for mode   26=        0.0000001077
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000387
 Unscaled step for mode   29=       -0.0000000836
 Unscaled step for mode   30=        0.0000000787
 Unscaled step for mode   31=        0.0000000719
 Unscaled step for mode   32=        0.0000000346
 Unscaled step for mode   33=       -0.0000000528
 Unscaled step for mode   34=        0.0000000612
 Unscaled step for mode   35=       -0.0000000937
 Unscaled step for mode   36=       -0.0000000872
 Unscaled step for mode   37=        0.0000000808
 Unscaled step for mode   38=       -0.0000000147
 Unscaled step for mode   39=        0.0000000898
 Unscaled step for mode   40=        0.0000001065
 Unscaled step for mode   41=        0.0000002001
 Unscaled step for mode   42=        0.0000000820
 Unscaled step for mode   43=        0.0000000913
 Unscaled step for mode   44=        0.0000001734
 Unscaled step for mode   45=       -0.0000000152
 Unscaled step for mode   46=       -0.0000001594
 Unscaled step for mode   47=        0.0000001388
 Unscaled step for mode   48=       -0.0000000338
 Unscaled step for mode   49=       -0.0000001553
 Unscaled step for mode   50=       -0.0000000412
 Unscaled step for mode   51=        0.0000001002
 Unscaled step for mode   52=        0.0000000383
 Unscaled step for mode   53=        0.0000000871
 Unscaled step for mode   54=       -0.0000001379
 Unscaled step for mode   55=       -0.0000001373
 Unscaled step for mode   56=       -0.0000000428
 Unscaled step for mode   57=        0.0000000958
 Unscaled step for mode   58=       -0.0000001779
 Unscaled step for mode   59=       -0.0000000388
 Unscaled step for mode   60=       -0.0000001745
 Unscaled step for mode   61=        0.0000002550
 Unscaled step for mode   62=       -0.0000001819
 Unscaled step for mode   63=       -0.0000001474
 Unscaled step for mode   64=        0.0000002964
 Unscaled step for mode   65=        0.0000001917
 Unscaled step for mode   66=       -0.0000000983
 Unscaled step for mode   67=        0.0000001137
 Unscaled step for mode   68=       -0.0000000759
 Unscaled step for mode   69=        0.0000000677
 Unscaled step for mode   70=       -0.0000002863
 Unscaled step for mode   71=        0.0000000664
 Unscaled step for mode   72=        0.0000007310
 Unscaled step for mode   73=       -0.0000002910
 Unscaled step for mode   74=        0.0000002426
 Unscaled step for mode   75=       -0.0000008725
 Unscaled step for mode   76=       -0.0000003775
 Unscaled step for mode   77=        0.0000003619
 Unscaled step for mode   78=       -0.0000001456
 Unscaled step for mode   79=       -0.0000000791
 Unscaled step for mode   80=        0.0000002510
 Unscaled step for mode   81=        0.0000003360
 Unscaled step for mode   82=       -0.0000001858
 Unscaled step for mode   83=       -0.0000001917
 Unscaled step for mode   84=        0.0000007630
 Unscaled step for mode   85=       -0.0000004293
 Unscaled step for mode   86=       -0.0000002604
 Unscaled step for mode   87=       -0.0000006941
 Unscaled step for mode   88=       -0.0000002171
 Unscaled step for mode   89=       -0.0000001291
 Unscaled step for mode   90=        0.0000009734
 Unscaled step for mode   91=        0.0000007297
 Unscaled step for mode   92=        0.0000010977
 Unscaled step for mode   93=       -0.0000000399
 Unscaled step for mode   94=       -0.0000010918
 Unscaled step for mode   95=       -0.0000002419
 Unscaled step for mode   96=       -0.0000000897
 Unscaled step for mode   97=        0.0000009895
 Unscaled step for mode   98=       -0.0000013592
 Unscaled step for mode   99=       -0.0000032149
 Unscaled step for mode  100=       -0.0000022696
 Unscaled step for mode  101=       -0.0000007739
 Unscaled step for mode  102=        0.0000037631
 Unscaled step for mode  103=       -0.0000015389
 Unscaled step for mode  104=        0.0000047600
 Unscaled step for mode  105=        0.0000030139
 Unscaled step for mode  106=        0.0000029448
 Unscaled step for mode  107=       -0.0000026663
 Unscaled step for mode  108=       -0.0000005355
 Unscaled step for mode  109=       -0.0000051145
 Unscaled step for mode  110=       -0.0009820656
 Unscaled step for mode  111=        0.0000751046
 Unscaled step for mode  112=       -0.0017328451
 Unscaled step for mode  113=        0.0049528274
 Unscaled step for mode  114=       -0.2006252167
 Largest modulus ratio of non-zero e/values=           195.7604306    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.206215E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.111066E-14    0.100689E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.361690E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.174869E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.334232E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.128692E-14    0.974038E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.704593E-05    0.738917E+03  0.953549E-08 0.100000E-04    0.995773E+00
   8   -0.670416E-05    0.674251E+03  0.994311E-08 0.100000E-04    0.989619E+00
   9   -0.191944E-05    0.628074E+03  0.305607E-08 0.100000E-04    0.979085E+00
  10    0.271582E-05    0.603143E+03 -0.450277E-08 0.100000E-04    0.983901E+00
  11   -0.192875E-05    0.587435E+03  0.328335E-08 0.100000E-04    0.994962E+00
  12   -0.631790E-05    0.575123E+03  0.109853E-07 0.100000E-04    0.983462E+00
  13   -0.359392E-05    0.567057E+03  0.633785E-08 0.100000E-04    0.989078E+00
  14    0.248410E-05    0.485195E+03 -0.511979E-08 0.100000E-04    0.965781E+00
  15    0.204189E-05    0.463040E+03 -0.440974E-08 0.100000E-04    0.981779E+00
  16    0.734879E-05    0.460762E+03 -0.159492E-07 0.100000E-04    0.997670E+00
  17    0.437493E-05    0.441591E+03 -0.990719E-08 0.100000E-04    0.987435E+00
  18    0.458347E-05    0.429085E+03 -0.106820E-07 0.100000E-04    0.999072E+00
  19   -0.192670E-04    0.422076E+03  0.456482E-07 0.100000E-04    0.999819E+00
  20    0.504614E-05    0.408475E+03 -0.123536E-07 0.100000E-04    0.989521E+00
  21    0.541937E-05    0.396956E+03 -0.136523E-07 0.100000E-04    0.990594E+00
  22   -0.109516E-04    0.388581E+03  0.281836E-07 0.100000E-04    0.998286E+00
  23    0.175436E-05    0.368679E+03 -0.475849E-08 0.100000E-04    0.958699E+00
  24   -0.523051E-05    0.361038E+03  0.144874E-07 0.100000E-04    0.991862E+00
  25   -0.233334E-04    0.350193E+03  0.666302E-07 0.100000E-04    0.998229E+00
  26   -0.361008E-04    0.335112E+03  0.107727E-06 0.100000E-04    0.999629E+00
  27   -0.177004E-04    0.327243E+03  0.540895E-07 0.100000E-04    0.998782E+00
  28    0.124463E-04    0.321580E+03 -0.387035E-07 0.100000E-04    0.995921E+00
  29    0.267289E-04    0.319906E+03 -0.835523E-07 0.100000E-04    0.995702E+00
  30   -0.244833E-04    0.310939E+03  0.787399E-07 0.100000E-04    0.997904E+00
  31   -0.217652E-04    0.302681E+03  0.719079E-07 0.100000E-04    0.992504E+00
  32   -0.100194E-04    0.289443E+03  0.346160E-07 0.100000E-04    0.996953E+00
  33    0.146919E-04    0.278417E+03 -0.527694E-07 0.100000E-04    0.996555E+00
  34   -0.166168E-04    0.271374E+03  0.612321E-07 0.100000E-04    0.998081E+00
  35    0.250616E-04    0.267583E+03 -0.936594E-07 0.100000E-04    0.996889E+00
  36    0.230875E-04    0.264671E+03 -0.872312E-07 0.100000E-04    0.996609E+00
  37   -0.210977E-04    0.261132E+03  0.807935E-07 0.100000E-04    0.999724E+00
  38    0.373652E-05    0.253870E+03 -0.147182E-07 0.100000E-04    0.983830E+00
  39   -0.217218E-04    0.241878E+03  0.898049E-07 0.100000E-04    0.999915E+00
  40   -0.255007E-04    0.239368E+03  0.106533E-06 0.100000E-04    0.994005E+00
  41   -0.468526E-04    0.234103E+03  0.200137E-06 0.100000E-04    0.997824E+00
  42   -0.187086E-04    0.228027E+03  0.820455E-07 0.100000E-04    0.993176E+00
  43   -0.199475E-04    0.218398E+03  0.913354E-07 0.100000E-04    0.994085E+00
  44   -0.371709E-04    0.214401E+03  0.173371E-06 0.100000E-04    0.993910E+00
  45    0.323609E-05    0.212867E+03 -0.152024E-07 0.100000E-04    0.994865E+00
  46    0.330288E-04    0.207172E+03 -0.159427E-06 0.100000E-04    0.996526E+00
  47   -0.282380E-04    0.203517E+03  0.138750E-06 0.100000E-04    0.999978E+00
  48    0.666095E-05    0.196791E+03 -0.338478E-07 0.100000E-04    0.995957E+00
  49    0.302711E-04    0.194965E+03 -0.155264E-06 0.100000E-04    0.994796E+00
  50    0.788858E-05    0.191384E+03 -0.412187E-07 0.100000E-04    0.966776E+00
  51   -0.183865E-04    0.183453E+03  0.100225E-06 0.100000E-04    0.996134E+00
  52   -0.667422E-05    0.174296E+03  0.382926E-07 0.100000E-04    0.989387E+00
  53   -0.150067E-04    0.172248E+03  0.871227E-07 0.100000E-04    0.999975E+00
  54    0.231281E-04    0.167720E+03 -0.137897E-06 0.100000E-04    0.994567E+00
  55    0.225615E-04    0.164316E+03 -0.137306E-06 0.100000E-04    0.998573E+00
  56    0.675993E-05    0.158048E+03 -0.427714E-07 0.100000E-04    0.991755E+00
  57   -0.147952E-04    0.154391E+03  0.958293E-07 0.100000E-04    0.997483E+00
  58    0.270081E-04    0.151827E+03 -0.177887E-06 0.100000E-04    0.998902E+00
  59    0.574426E-05    0.147865E+03 -0.388480E-07 0.100000E-04    0.998158E+00
  60    0.250363E-04    0.143447E+03 -0.174534E-06 0.100000E-04    0.997848E+00
  61   -0.350426E-04    0.137417E+03  0.255009E-06 0.100000E-04    0.996425E+00
  62    0.247283E-04    0.135938E+03 -0.181908E-06 0.100000E-04    0.996525E+00
  63    0.192425E-04    0.130541E+03 -0.147406E-06 0.100000E-04    0.985805E+00
  64   -0.380714E-04    0.128438E+03  0.296420E-06 0.100000E-04    0.996865E+00
  65   -0.242318E-04    0.126424E+03  0.191671E-06 0.100000E-04    0.995008E+00
  66    0.123046E-04    0.125182E+03 -0.982936E-07 0.100000E-04    0.986199E+00
  67   -0.136346E-04    0.119879E+03  0.113737E-06 0.100000E-04    0.987438E+00
  68    0.897113E-05    0.118132E+03 -0.759415E-07 0.100000E-04    0.997205E+00
  69   -0.792311E-05    0.117109E+03  0.676560E-07 0.100000E-04    0.994216E+00
  70    0.316619E-04    0.110587E+03 -0.286309E-06 0.100000E-04    0.992755E+00
  71   -0.712843E-05    0.107323E+03  0.664206E-07 0.100000E-04    0.997831E+00
  72   -0.764124E-04    0.104531E+03  0.730999E-06 0.100000E-04    0.999384E+00
  73    0.299900E-04    0.103051E+03 -0.291022E-06 0.100000E-04    0.999261E+00
  74   -0.241863E-04    0.996940E+02  0.242605E-06 0.100000E-04    0.991939E+00
  75    0.835743E-04    0.957912E+02 -0.872463E-06 0.100000E-04    0.999771E+00
  76    0.354313E-04    0.938464E+02 -0.377546E-06 0.100000E-04    0.978797E+00
  77   -0.339135E-04    0.937172E+02  0.361871E-06 0.100000E-04    0.982403E+00
  78    0.132265E-04    0.908246E+02 -0.145627E-06 0.100000E-04    0.974851E+00
  79    0.706150E-05    0.892393E+02 -0.791300E-07 0.100000E-04    0.985741E+00
  80   -0.213917E-04    0.852386E+02  0.250962E-06 0.100000E-04    0.997478E+00
  81   -0.271756E-04    0.808826E+02  0.335989E-06 0.100000E-04    0.997498E+00
  82    0.148631E-04    0.800005E+02 -0.185788E-06 0.100000E-04    0.980132E+00
  83    0.149924E-04    0.781912E+02 -0.191740E-06 0.100000E-04    0.987745E+00
  84   -0.557101E-04    0.730144E+02  0.763001E-06 0.100000E-04    0.998286E+00
  85    0.311621E-04    0.725890E+02 -0.429295E-06 0.100000E-04    0.982675E+00
  86    0.177617E-04    0.682121E+02 -0.260389E-06 0.100000E-04    0.994523E+00
  87    0.455326E-04    0.656041E+02 -0.694051E-06 0.100000E-04    0.999991E+00
  88    0.136087E-04    0.626699E+02 -0.217149E-06 0.100000E-04    0.999851E+00
  89    0.773778E-05    0.599518E+02 -0.129067E-06 0.100000E-04    0.974898E+00
  90   -0.578577E-04    0.594367E+02  0.973435E-06 0.100000E-04    0.993536E+00
  91   -0.429995E-04    0.589238E+02  0.729747E-06 0.100000E-04    0.990888E+00
  92   -0.615174E-04    0.560432E+02  0.109768E-05 0.100000E-04    0.996195E+00
  93    0.209975E-05    0.525828E+02 -0.399322E-07 0.100000E-04    0.619499E+00
  94    0.571157E-04    0.523148E+02 -0.109177E-05 0.100000E-04    0.997031E+00
  95    0.120993E-04    0.500135E+02 -0.241921E-06 0.100000E-04    0.958413E+00
  96    0.422243E-05    0.470696E+02 -0.897060E-07 0.100000E-04    0.980994E+00
  97   -0.424624E-04    0.429137E+02  0.989482E-06 0.100000E-04    0.988223E+00
  98    0.552048E-04    0.406150E+02 -0.135922E-05 0.100000E-04    0.998716E+00
  99    0.121346E-03    0.377451E+02 -0.321487E-05 0.100000E-04    0.994984E+00
 100    0.825529E-04    0.363738E+02 -0.226957E-05 0.100000E-04    0.999698E+00
 101    0.259851E-04    0.335770E+02 -0.773894E-06 0.100000E-04    0.977963E+00
 102   -0.108332E-03    0.287879E+02  0.376310E-05 0.100000E-04    0.998118E+00
 103    0.439269E-04    0.285440E+02 -0.153892E-05 0.100000E-04    0.994195E+00
 104   -0.127722E-03    0.268323E+02  0.476001E-05 0.100000E-04    0.997724E+00
 105   -0.697878E-04    0.231552E+02  0.301391E-05 0.100000E-04    0.996428E+00
 106   -0.618104E-04    0.209900E+02  0.294476E-05 0.100000E-04    0.995793E+00
 107    0.548623E-04    0.205761E+02 -0.266631E-05 0.100000E-04    0.979576E+00
 108    0.896487E-05    0.167399E+02 -0.535539E-06 0.100000E-04    0.902651E+00
 109    0.707478E-04    0.138327E+02 -0.511452E-05 0.100000E-04    0.996288E+00
 110    0.120191E-01    0.122386E+02 -0.100000E-04 0.100000E-04    0.490069E+00
 111   -0.752013E-03    0.100129E+02  0.100000E-04 0.100000E-04    0.626741E+00
 112    0.148137E-01    0.854873E+01 -0.180945E-04 0.180945E-04    0.103801E+00
 113   -0.320488E-01    0.647066E+01  0.307637E-04 0.307637E-04    0.209190E+00
 114   -0.789038E+00    0.377460E+01 -0.400000E-03 0.400000E-03    0.151512E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2006252167    

 Beginning of optimization cycle  416.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3316313182
 potential> RMS force:                                               0.0741226952   |gradient|=.7914138167    
 Eigenvalues of the Hessian matrix:
   738.98280    674.25846    628.08890    603.12738    587.42549    575.16455 
   567.05374    485.22204    463.01717    460.75550    441.59437    429.07920 
   422.07700    408.47886    396.95115    388.57540    368.69049    361.03063 
   350.18480    335.10603    327.26017    321.58456    319.89441    310.92344 
   302.66361    289.45385    278.41370    271.38462    267.59026    264.67347 
   261.15355    253.86731    241.87309    239.38111    234.09371    228.01971 
   218.37769    214.40774    212.87427    207.17331    203.51456    196.78092 
   194.96114    191.38190    183.44407    174.28866    172.25068    167.72349 
   164.30605    158.03604    154.39549    151.83307    147.85471    143.44881 
   137.42145    135.93841    130.53937    128.44187    126.42819    125.17630 
   119.87999    118.13272    117.10932    110.58227    107.31756    104.52923 
   103.04928     99.69320     95.79311     93.85465     93.70062     90.82814 
    89.23297     85.24151     80.88200     80.00275     78.18993     73.01813 
    72.59283     68.21103     65.59474     62.66026     59.95260     59.43394 
    58.91851     56.04287     52.58161     52.31439     50.01326     47.06292 
    42.91535     40.61786     37.74829     36.37579     33.56442     28.78776 
    28.54269     26.82488     23.15726     20.99122     20.57142     16.73851 
    13.83333     12.23859     10.01417      8.54649      6.46193      3.76886 
overlap for current and previous eigenvector    109 is         0.9999997983
overlap for current and previous eigenvector    110 is         0.9999996764
overlap for current and previous eigenvector    111 is         0.9999997437
overlap for current and previous eigenvector    112 is         0.9999984183
overlap for current and previous eigenvector    113 is         0.9999983384
overlap for current and previous eigenvector    114 is         0.9999996842
J1,K1,R1,R2,RAT=   7   7   -0.5816252545E-02     2.005637193        0.9941837475    
FOB,PFOB,DIAG,PSTEP=   -0.7086915089E-05   -0.7045930509E-05     738.9827985        0.9535487700E-08
J1,K1,R1,R2,RAT=   8   8    0.4988071862E-02     1.994991283        0.9949912826    
FOB,PFOB,DIAG,PSTEP=   -0.6670714177E-05   -0.6704155330E-05     674.2584599        0.9943107777E-08
J1,K1,R1,R2,RAT=   9   9    0.7092368469E-02     1.992861209        0.9928612090    
FOB,PFOB,DIAG,PSTEP=   -0.1905825961E-05   -0.1919439650E-05     628.0888965        0.3056070907E-08
J1,K1,R1,R2,RAT=  10  10   -0.2656627494E-01     2.026619730        0.9734337251    
FOB,PFOB,DIAG,PSTEP=    0.2787964792E-05    0.2715817564E-05     603.1273792       -0.4502771841E-08
J1,K1,R1,R2,RAT=  11  11   -0.1266937026E-01     2.012700249        0.9873306297    
FOB,PFOB,DIAG,PSTEP=   -0.1953189033E-05   -0.1928753320E-05     587.4254933        0.3283350082E-08
J1,K1,R1,R2,RAT= 109 109    0.2601449963E-02     1.997312834        0.9973128339    
FOB,PFOB,DIAG,PSTEP=    0.7056370484E-04    0.7074775948E-04     13.83333305       -0.5114515168E-05
J1,K1,R1,R2,RAT= 110 110   -0.5324537498         196.9453963        0.4675462502    
FOB,PFOB,DIAG,PSTEP=    0.1208425406E-01    0.1201908922E-01     12.23859188       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3727594246         14.64622099        0.6272405754    
FOB,PFOB,DIAG,PSTEP=   -0.7146846410E-03   -0.7520134185E-03     10.01417404        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7126210901         192.2961111        0.2873789099    
FOB,PFOB,DIAG,PSTEP=    0.1492387242E-01    0.1481366946E-01     8.546494878       -0.1809449758E-04
J1,K1,R1,R2,RAT= 113 113   -0.9100122099         323.3442450        0.8998779011E-01
FOB,PFOB,DIAG,PSTEP=   -0.3222975076E-01   -0.3204884663E-01     6.461928147        0.3076373993E-04
J1,K1,R1,R2,RAT= 114 114    0.9852161269        -1047.772647        0.1478387314E-01
FOB,PFOB,DIAG,PSTEP=   -0.7905236704       -0.7890384149         3.768856940       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00002      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001     -0.00002      0.00002 
     0.00002      0.00001     -0.00001      0.00003     -0.00001     -0.00003 
     0.00004     -0.00002      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001      0.00001     -0.00001      0.00003     -0.00001      0.00008 
    -0.00003      0.00002      0.00008      0.00003     -0.00003      0.00001 
    -0.00001     -0.00002     -0.00003      0.00001     -0.00001      0.00006 
     0.00003     -0.00002      0.00005     -0.00001     -0.00001      0.00006 
     0.00004      0.00006     -0.00000      0.00006      0.00001      0.00000 
     0.00004      0.00006      0.00012     -0.00008      0.00003      0.00011 
    -0.00004      0.00013     -0.00007     -0.00006      0.00005      0.00001 
     0.00007      0.01208     -0.00071      0.01492     -0.03223     -0.79052 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4093321789
 Log product of positive Hessian eigenvalues =          519.4634546130
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7688569398
 Unscaled step for mode    7=        0.0000000096
 Unscaled step for mode    8=        0.0000000099
 Unscaled step for mode    9=        0.0000000030
 Unscaled step for mode   10=       -0.0000000046
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000109
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000051
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000101
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000458
 Unscaled step for mode   20=       -0.0000000124
 Unscaled step for mode   21=       -0.0000000137
 Unscaled step for mode   22=        0.0000000283
 Unscaled step for mode   23=       -0.0000000045
 Unscaled step for mode   24=        0.0000000146
 Unscaled step for mode   25=        0.0000000668
 Unscaled step for mode   26=        0.0000001079
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000387
 Unscaled step for mode   29=       -0.0000000843
 Unscaled step for mode   30=        0.0000000783
 Unscaled step for mode   31=        0.0000000718
 Unscaled step for mode   32=        0.0000000347
 Unscaled step for mode   33=       -0.0000000532
 Unscaled step for mode   34=        0.0000000617
 Unscaled step for mode   35=       -0.0000000934
 Unscaled step for mode   36=       -0.0000000872
 Unscaled step for mode   37=        0.0000000809
 Unscaled step for mode   38=       -0.0000000149
 Unscaled step for mode   39=        0.0000000900
 Unscaled step for mode   40=        0.0000001072
 Unscaled step for mode   41=        0.0000002002
 Unscaled step for mode   42=        0.0000000820
 Unscaled step for mode   43=        0.0000000911
 Unscaled step for mode   44=        0.0000001735
 Unscaled step for mode   45=       -0.0000000160
 Unscaled step for mode   46=       -0.0000001597
 Unscaled step for mode   47=        0.0000001382
 Unscaled step for mode   48=       -0.0000000343
 Unscaled step for mode   49=       -0.0000001549
 Unscaled step for mode   50=       -0.0000000427
 Unscaled step for mode   51=        0.0000001001
 Unscaled step for mode   52=        0.0000000385
 Unscaled step for mode   53=        0.0000000875
 Unscaled step for mode   54=       -0.0000001379
 Unscaled step for mode   55=       -0.0000001374
 Unscaled step for mode   56=       -0.0000000430
 Unscaled step for mode   57=        0.0000000965
 Unscaled step for mode   58=       -0.0000001780
 Unscaled step for mode   59=        0.0000000395
 Unscaled step for mode   60=        0.0000001746
 Unscaled step for mode   61=       -0.0000002572
 Unscaled step for mode   62=        0.0000001815
 Unscaled step for mode   63=       -0.0000001488
 Unscaled step for mode   64=        0.0000002977
 Unscaled step for mode   65=        0.0000001933
 Unscaled step for mode   66=       -0.0000000983
 Unscaled step for mode   67=        0.0000001133
 Unscaled step for mode   68=       -0.0000000761
 Unscaled step for mode   69=        0.0000000687
 Unscaled step for mode   70=       -0.0000002848
 Unscaled step for mode   71=        0.0000000662
 Unscaled step for mode   72=       -0.0000007347
 Unscaled step for mode   73=        0.0000002913
 Unscaled step for mode   74=       -0.0000002432
 Unscaled step for mode   75=       -0.0000008731
 Unscaled step for mode   76=       -0.0000003725
 Unscaled step for mode   77=        0.0000003688
 Unscaled step for mode   78=       -0.0000001453
 Unscaled step for mode   79=        0.0000000795
 Unscaled step for mode   80=        0.0000002498
 Unscaled step for mode   81=        0.0000003365
 Unscaled step for mode   82=       -0.0000001853
 Unscaled step for mode   83=        0.0000001892
 Unscaled step for mode   84=       -0.0000007698
 Unscaled step for mode   85=       -0.0000004306
 Unscaled step for mode   86=        0.0000002637
 Unscaled step for mode   87=       -0.0000006972
 Unscaled step for mode   88=        0.0000002195
 Unscaled step for mode   89=        0.0000001226
 Unscaled step for mode   90=       -0.0000009705
 Unscaled step for mode   91=       -0.0000007457
 Unscaled step for mode   92=       -0.0000010921
 Unscaled step for mode   93=        0.0000000470
 Unscaled step for mode   94=       -0.0000010959
 Unscaled step for mode   95=       -0.0000002473
 Unscaled step for mode   96=       -0.0000000978
 Unscaled step for mode   97=       -0.0000010046
 Unscaled step for mode   98=       -0.0000013679
 Unscaled step for mode   99=       -0.0000032292
 Unscaled step for mode  100=        0.0000022654
 Unscaled step for mode  101=       -0.0000007994
 Unscaled step for mode  102=       -0.0000037818
 Unscaled step for mode  103=        0.0000015424
 Unscaled step for mode  104=       -0.0000048057
 Unscaled step for mode  105=        0.0000030285
 Unscaled step for mode  106=        0.0000030246
 Unscaled step for mode  107=       -0.0000025024
 Unscaled step for mode  108=       -0.0000006335
 Unscaled step for mode  109=       -0.0000051010
 Unscaled step for mode  110=       -0.0009873883
 Unscaled step for mode  111=        0.0000713673
 Unscaled step for mode  112=       -0.0017461927
 Unscaled step for mode  113=        0.0049875128
 Unscaled step for mode  114=       -0.2012558153
 Largest modulus ratio of non-zero e/values=           196.0761075    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.109721E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.124336E-14    0.100689E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.544782E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.215475E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.434982E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.746311E-15    0.974040E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.708692E-05    0.738983E+03  0.959009E-08 0.100000E-04    0.994184E+00
   8   -0.667071E-05    0.674258E+03  0.989341E-08 0.100000E-04    0.994991E+00
   9   -0.190583E-05    0.628089E+03  0.303433E-08 0.100000E-04    0.992861E+00
  10    0.278796E-05    0.603127E+03 -0.462251E-08 0.100000E-04    0.973434E+00
  11   -0.195319E-05    0.587425E+03  0.332500E-08 0.100000E-04    0.987331E+00
  12   -0.627753E-05    0.575165E+03  0.109143E-07 0.100000E-04    0.993467E+00
  13   -0.356151E-05    0.567054E+03  0.628073E-08 0.100000E-04    0.990983E+00
  14    0.248676E-05    0.485222E+03 -0.512500E-08 0.100000E-04    0.998926E+00
  15    0.203627E-05    0.463017E+03 -0.439782E-08 0.100000E-04    0.997247E+00
  16    0.739630E-05    0.460755E+03 -0.160526E-07 0.100000E-04    0.993534E+00
  17    0.443806E-05    0.441594E+03 -0.100501E-07 0.100000E-04    0.985571E+00
  18    0.459449E-05    0.429079E+03 -0.107078E-07 0.100000E-04    0.997597E+00
  19   -0.193431E-04    0.422077E+03  0.458285E-07 0.100000E-04    0.996048E+00
  20    0.505988E-05    0.408479E+03 -0.123871E-07 0.100000E-04    0.997276E+00
  21    0.543487E-05    0.396951E+03 -0.136915E-07 0.100000E-04    0.997140E+00
  22   -0.109939E-04    0.388575E+03  0.282928E-07 0.100000E-04    0.996139E+00
  23    0.167553E-05    0.368690E+03 -0.454454E-08 0.100000E-04    0.955007E+00
  24   -0.525968E-05    0.361031E+03  0.145685E-07 0.100000E-04    0.994423E+00
  25   -0.233815E-04    0.350185E+03  0.667690E-07 0.100000E-04    0.997939E+00
  26   -0.361723E-04    0.335106E+03  0.107943E-06 0.100000E-04    0.998019E+00
  27   -0.177052E-04    0.327260E+03  0.541012E-07 0.100000E-04    0.999730E+00
  28    0.124323E-04    0.321585E+03 -0.386595E-07 0.100000E-04    0.998852E+00
  29    0.269768E-04    0.319894E+03 -0.843303E-07 0.100000E-04    0.990725E+00
  30   -0.243445E-04    0.310923E+03  0.782975E-07 0.100000E-04    0.994331E+00
  31   -0.217456E-04    0.302664E+03  0.718473E-07 0.100000E-04    0.999099E+00
  32   -0.100521E-04    0.289454E+03  0.347278E-07 0.100000E-04    0.996732E+00
  33    0.148020E-04    0.278414E+03 -0.531656E-07 0.100000E-04    0.992501E+00
  34   -0.167423E-04    0.271385E+03  0.616923E-07 0.100000E-04    0.992444E+00
  35    0.249856E-04    0.267590E+03 -0.933727E-07 0.100000E-04    0.996911E+00
  36    0.230804E-04    0.264673E+03 -0.872034E-07 0.100000E-04    0.999671E+00
  37   -0.211357E-04    0.261154E+03  0.809322E-07 0.100000E-04    0.998199E+00
  38    0.378758E-05    0.253867E+03 -0.149195E-07 0.100000E-04    0.986336E+00
  39   -0.217779E-04    0.241873E+03  0.900387E-07 0.100000E-04    0.997417E+00
  40   -0.256524E-04    0.239381E+03  0.107161E-06 0.100000E-04    0.994052E+00
  41   -0.468750E-04    0.234094E+03  0.200240E-06 0.100000E-04    0.999522E+00
  42   -0.186963E-04    0.228020E+03  0.819944E-07 0.100000E-04    0.999345E+00
  43   -0.198910E-04    0.218378E+03  0.910855E-07 0.100000E-04    0.997171E+00
  44   -0.372007E-04    0.214408E+03  0.173504E-06 0.100000E-04    0.999200E+00
  45    0.341005E-05    0.212874E+03 -0.160191E-07 0.100000E-04    0.946243E+00
  46    0.330808E-04    0.207173E+03 -0.159677E-06 0.100000E-04    0.998426E+00
  47   -0.281192E-04    0.203515E+03  0.138168E-06 0.100000E-04    0.995792E+00
  48    0.674352E-05    0.196781E+03 -0.342692E-07 0.100000E-04    0.987603E+00
  49    0.302065E-04    0.194961E+03 -0.154936E-06 0.100000E-04    0.997867E+00
  50    0.817796E-05    0.191382E+03 -0.427311E-07 0.100000E-04    0.963316E+00
  51   -0.183546E-04    0.183444E+03  0.100055E-06 0.100000E-04    0.998261E+00
  52   -0.671646E-05    0.174289E+03  0.385364E-07 0.100000E-04    0.993671E+00
  53   -0.150645E-04    0.172251E+03  0.874566E-07 0.100000E-04    0.996150E+00
  54    0.231339E-04    0.167723E+03 -0.137929E-06 0.100000E-04    0.999749E+00
  55    0.225781E-04    0.164306E+03 -0.137415E-06 0.100000E-04    0.999263E+00
  56    0.679578E-05    0.158036E+03 -0.430014E-07 0.100000E-04    0.994696E+00
  57   -0.149059E-04    0.154395E+03  0.965439E-07 0.100000E-04    0.992513E+00
  58    0.270192E-04    0.151833E+03 -0.177953E-06 0.100000E-04    0.999590E+00
  59   -0.583466E-05    0.147855E+03  0.394621E-07 0.100000E-04    0.984261E+00
  60   -0.250482E-04    0.143449E+03  0.174614E-06 0.100000E-04    0.999526E+00
  61    0.353503E-04    0.137421E+03 -0.257240E-06 0.100000E-04    0.991218E+00
  62   -0.246764E-04    0.135938E+03  0.181527E-06 0.100000E-04    0.997900E+00
  63    0.194193E-04    0.130539E+03 -0.148762E-06 0.100000E-04    0.990812E+00
  64   -0.382392E-04    0.128442E+03  0.297716E-06 0.100000E-04    0.995594E+00
  65   -0.244392E-04    0.126428E+03  0.193305E-06 0.100000E-04    0.991442E+00
  66    0.122995E-04    0.125176E+03 -0.982576E-07 0.100000E-04    0.999584E+00
  67   -0.135853E-04    0.119880E+03  0.113324E-06 0.100000E-04    0.996357E+00
  68    0.899302E-05    0.118133E+03 -0.761264E-07 0.100000E-04    0.997560E+00
  69   -0.804062E-05    0.117109E+03  0.686591E-07 0.100000E-04    0.985169E+00
  70    0.314973E-04    0.110582E+03 -0.284831E-06 0.100000E-04    0.994800E+00
  71   -0.710118E-05    0.107318E+03  0.661698E-07 0.100000E-04    0.996177E+00
  72    0.767997E-04    0.104529E+03 -0.734720E-06 0.100000E-04    0.994931E+00
  73   -0.300158E-04    0.103049E+03  0.291276E-06 0.100000E-04    0.999141E+00
  74    0.242480E-04    0.996932E+02 -0.243226E-06 0.100000E-04    0.997448E+00
  75    0.836417E-04    0.957931E+02 -0.873149E-06 0.100000E-04    0.999193E+00
  76    0.349610E-04    0.938546E+02 -0.372501E-06 0.100000E-04    0.986551E+00
  77   -0.345593E-04    0.937006E+02  0.368826E-06 0.100000E-04    0.980956E+00
  78    0.131941E-04    0.908281E+02 -0.145264E-06 0.100000E-04    0.997475E+00
  79   -0.709802E-05    0.892330E+02  0.795448E-07 0.100000E-04    0.994828E+00
  80   -0.212948E-04    0.852415E+02  0.249818E-06 0.100000E-04    0.995405E+00
  81   -0.272165E-04    0.808820E+02  0.336496E-06 0.100000E-04    0.998497E+00
  82    0.148220E-04    0.800028E+02 -0.185268E-06 0.100000E-04    0.997173E+00
  83   -0.147904E-04    0.781899E+02  0.189159E-06 0.100000E-04    0.986525E+00
  84    0.562076E-04    0.730181E+02 -0.769776E-06 0.100000E-04    0.991069E+00
  85    0.312593E-04    0.725928E+02 -0.430612E-06 0.100000E-04    0.996879E+00
  86   -0.179869E-04    0.682110E+02  0.263694E-06 0.100000E-04    0.987322E+00
  87    0.457297E-04    0.655947E+02 -0.697155E-06 0.100000E-04    0.995670E+00
  88   -0.137547E-04    0.626603E+02  0.219512E-06 0.100000E-04    0.989272E+00
  89   -0.734868E-05    0.599526E+02  0.122575E-06 0.100000E-04    0.949689E+00
  90    0.576783E-04    0.594339E+02 -0.970461E-06 0.100000E-04    0.996899E+00
  91    0.439340E-04    0.589185E+02 -0.745674E-06 0.100000E-04    0.978265E+00
  92    0.612041E-04    0.560429E+02 -0.109209E-05 0.100000E-04    0.994906E+00
  93   -0.246898E-05    0.525816E+02  0.469552E-07 0.100000E-04    0.824150E+00
  94    0.573326E-04    0.523144E+02 -0.109592E-05 0.100000E-04    0.996203E+00
  95    0.123665E-04    0.500133E+02 -0.247264E-06 0.100000E-04    0.977922E+00
  96    0.460232E-05    0.470629E+02 -0.977908E-07 0.100000E-04    0.910016E+00
  97    0.431138E-04    0.429154E+02 -0.100462E-05 0.100000E-04    0.984660E+00
  98    0.555631E-04    0.406179E+02 -0.136795E-05 0.100000E-04    0.993510E+00
  99    0.121895E-03    0.377483E+02 -0.322916E-05 0.100000E-04    0.995472E+00
 100   -0.824052E-04    0.363758E+02  0.226539E-05 0.100000E-04    0.998103E+00
 101    0.268301E-04    0.335644E+02 -0.799361E-06 0.100000E-04    0.967468E+00
 102    0.108868E-03    0.287878E+02 -0.378176E-05 0.100000E-04    0.995046E+00
 103   -0.440241E-04    0.285427E+02  0.154239E-05 0.100000E-04    0.997788E+00
 104    0.128912E-03    0.268249E+02 -0.480569E-05 0.100000E-04    0.990680E+00
 105   -0.701329E-04    0.231573E+02  0.302855E-05 0.100000E-04    0.995055E+00
 106   -0.634908E-04    0.209912E+02  0.302464E-05 0.100000E-04    0.972815E+00
 107    0.514785E-04    0.205714E+02 -0.250243E-05 0.100000E-04    0.938308E+00
 108    0.106032E-04    0.167385E+02 -0.633463E-06 0.100000E-04    0.817232E+00
 109    0.705637E-04    0.138333E+02 -0.510099E-05 0.100000E-04    0.997313E+00
 110    0.120843E-01    0.122386E+02 -0.100000E-04 0.100000E-04    0.467546E+00
 111   -0.714685E-03    0.100142E+02  0.100000E-04 0.100000E-04    0.627241E+00
 112    0.149239E-01    0.854649E+01 -0.163013E-04 0.163013E-04    0.287379E+00
 113   -0.322298E-01    0.646193E+01  0.335325E-04 0.335325E-04    0.899878E-01
 114   -0.790524E+00    0.376886E+01 -0.400000E-03 0.400000E-03    0.147839E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2012558153    

 Beginning of optimization cycle  417.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3313162552
 potential> RMS force:                                               0.0742623584   |gradient|=.7929050121    
 Eigenvalues of the Hessian matrix:
   739.04909    674.26508    628.10351    603.11146    587.41627    575.20620 
   567.05071    485.24902    462.99394    460.74941    441.59752    429.07331 
   422.07839    408.48244    396.94616    388.57031    368.70156    361.02304 
   350.17695    335.10019    327.27786    321.58876    319.88302    310.90774 
   302.64600    289.46481    278.41079    271.39562    267.59780    264.67624 
   261.17582    253.86425    241.86827    239.39424    234.08507    228.01246 
   218.35735    214.41461    212.88108    207.17440    203.51226    196.77068 
   194.95743    191.38012    183.43489    174.28190    172.25374    167.72675 
   164.29654    158.02417    154.40020    151.83885    147.84451    143.45054 
   137.42600    135.93850    130.53800    128.44608    126.43259    125.17004 
   119.88133    118.13327    117.10971    110.57794    107.31258    104.52689 
   103.04784     99.69238     95.79506     93.86277     93.68400     90.83170 
    89.22660     85.24445     80.88144     80.00508     78.18862     73.02186 
    72.59658     68.20983     65.58538     62.65054     59.95338     59.43122 
    58.91299     56.04246     52.58039     52.31388     50.01307     47.05614 
    42.91704     40.62072     37.75140     36.37755     33.55175     28.78759 
    28.54140     26.81746     23.15934     20.99256     20.56662     16.73706 
    13.83392     12.23861     10.01548      8.54431      6.45316      3.76311 
overlap for current and previous eigenvector    109 is         0.9999997950
overlap for current and previous eigenvector    110 is         0.9999996744
overlap for current and previous eigenvector    111 is         0.9999997370
overlap for current and previous eigenvector    112 is         0.9999984401
overlap for current and previous eigenvector    113 is         0.9999983588
overlap for current and previous eigenvector    114 is         0.9999996777
J1,K1,R1,R2,RAT=   7   7   -0.4194956648E-02     2.004015567        0.9958050434    
FOB,PFOB,DIAG,PSTEP=   -0.7116647058E-05   -0.7086915089E-05     739.0490874        0.9590094795E-08
J1,K1,R1,R2,RAT=   8   8   -0.1022141078E-01     2.010201768        0.9897785892    
FOB,PFOB,DIAG,PSTEP=   -0.6738898956E-05   -0.6670714177E-05     674.2650820        0.9893408201E-08
J1,K1,R1,R2,RAT=   9   9   -0.2069898455E-01     2.020652450        0.9793010155    
FOB,PFOB,DIAG,PSTEP=   -0.1945275541E-05   -0.1905825961E-05     628.1035109        0.3034325191E-08
J1,K1,R1,R2,RAT=  10  10    0.1559820977E-01     1.984454573        0.9844017902    
FOB,PFOB,DIAG,PSTEP=    0.2744478680E-05    0.2787964792E-05     603.1114622       -0.4622514063E-08
J1,K1,R1,R2,RAT=  11  11   -0.5144326319E-02     2.005175746        0.9948556737    
FOB,PFOB,DIAG,PSTEP=   -0.1963236717E-05   -0.1953189033E-05     587.4162650        0.3324998753E-08
J1,K1,R1,R2,RAT= 109 109    0.3636570642E-02     1.996278287        0.9962782871    
FOB,PFOB,DIAG,PSTEP=    0.7030708402E-04    0.7056370484E-04     13.83392198       -0.5100990815E-05
J1,K1,R1,R2,RAT= 110 110   -0.5135596766         197.9910522        0.4864403234    
FOB,PFOB,DIAG,PSTEP=    0.1214710665E-01    0.1208425406E-01     12.23861404       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3778302504         13.89377110        0.6221697496    
FOB,PFOB,DIAG,PSTEP=   -0.6768431304E-03   -0.7146846410E-03     10.01547932        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.9212762973         215.2157839        0.7872370273E-01
FOB,PFOB,DIAG,PSTEP=    0.1505219124E-01    0.1492387242E-01     8.544308750       -0.1630134917E-04
J1,K1,R1,R2,RAT= 113 113   -0.8112546333         298.6963728        0.1887453667    
FOB,PFOB,DIAG,PSTEP=   -0.3240529853E-01   -0.3222975076E-01     6.453161087        0.3353247653E-04
J1,K1,R1,R2,RAT= 114 114    0.9847907287        -1051.343194        0.1520927128E-01
FOB,PFOB,DIAG,PSTEP=   -0.7920060223       -0.7905236704         3.763113941       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00001      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001     -0.00002      0.00002 
    -0.00002      0.00001     -0.00001      0.00003      0.00001      0.00003 
    -0.00004      0.00002      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001     -0.00001      0.00001      0.00003     -0.00001     -0.00008 
     0.00003      0.00002      0.00008     -0.00003      0.00003     -0.00001 
    -0.00001     -0.00002     -0.00003     -0.00002     -0.00001     -0.00006 
     0.00003     -0.00002     -0.00005     -0.00001      0.00001     -0.00006 
    -0.00004     -0.00006     -0.00000     -0.00006     -0.00001      0.00000 
    -0.00004     -0.00006      0.00012      0.00008      0.00003     -0.00011 
     0.00004     -0.00013     -0.00007     -0.00006      0.00005      0.00001 
     0.00007      0.01215     -0.00068      0.01505     -0.03241     -0.79201 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4091013413
 Log product of positive Hessian eigenvalues =          519.4590678797
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7631139409
 Unscaled step for mode    7=        0.0000000096
 Unscaled step for mode    8=        0.0000000100
 Unscaled step for mode    9=        0.0000000031
 Unscaled step for mode   10=       -0.0000000046
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000111
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000053
 Unscaled step for mode   15=       -0.0000000045
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000107
 Unscaled step for mode   19=        0.0000000458
 Unscaled step for mode   20=       -0.0000000123
 Unscaled step for mode   21=       -0.0000000136
 Unscaled step for mode   22=        0.0000000283
 Unscaled step for mode   23=       -0.0000000047
 Unscaled step for mode   24=        0.0000000147
 Unscaled step for mode   25=        0.0000000669
 Unscaled step for mode   26=        0.0000001079
 Unscaled step for mode   27=        0.0000000542
 Unscaled step for mode   28=       -0.0000000385
 Unscaled step for mode   29=       -0.0000000847
 Unscaled step for mode   30=        0.0000000785
 Unscaled step for mode   31=        0.0000000724
 Unscaled step for mode   32=        0.0000000348
 Unscaled step for mode   33=       -0.0000000530
 Unscaled step for mode   34=        0.0000000618
 Unscaled step for mode   35=       -0.0000000937
 Unscaled step for mode   36=       -0.0000000875
 Unscaled step for mode   37=        0.0000000809
 Unscaled step for mode   38=       -0.0000000152
 Unscaled step for mode   39=        0.0000000900
 Unscaled step for mode   40=        0.0000001078
 Unscaled step for mode   41=        0.0000002007
 Unscaled step for mode   42=        0.0000000826
 Unscaled step for mode   43=        0.0000000916
 Unscaled step for mode   44=        0.0000001745
 Unscaled step for mode   45=       -0.0000000160
 Unscaled step for mode   46=       -0.0000001602
 Unscaled step for mode   47=        0.0000001382
 Unscaled step for mode   48=       -0.0000000341
 Unscaled step for mode   49=       -0.0000001557
 Unscaled step for mode   50=       -0.0000000413
 Unscaled step for mode   51=        0.0000001004
 Unscaled step for mode   52=        0.0000000389
 Unscaled step for mode   53=        0.0000000875
 Unscaled step for mode   54=       -0.0000001387
 Unscaled step for mode   55=        0.0000001376
 Unscaled step for mode   56=       -0.0000000427
 Unscaled step for mode   57=        0.0000000968
 Unscaled step for mode   58=       -0.0000001781
 Unscaled step for mode   59=       -0.0000000394
 Unscaled step for mode   60=       -0.0000001750
 Unscaled step for mode   61=        0.0000002563
 Unscaled step for mode   62=       -0.0000001809
 Unscaled step for mode   63=       -0.0000001466
 Unscaled step for mode   64=        0.0000002986
 Unscaled step for mode   65=        0.0000001924
 Unscaled step for mode   66=       -0.0000000969
 Unscaled step for mode   67=        0.0000001147
 Unscaled step for mode   68=        0.0000000759
 Unscaled step for mode   69=       -0.0000000683
 Unscaled step for mode   70=       -0.0000002869
 Unscaled step for mode   71=        0.0000000663
 Unscaled step for mode   72=        0.0000007352
 Unscaled step for mode   73=       -0.0000002910
 Unscaled step for mode   74=       -0.0000002413
 Unscaled step for mode   75=       -0.0000008733
 Unscaled step for mode   76=        0.0000003658
 Unscaled step for mode   77=       -0.0000003734
 Unscaled step for mode   78=        0.0000001488
 Unscaled step for mode   79=        0.0000000784
 Unscaled step for mode   80=        0.0000002504
 Unscaled step for mode   81=        0.0000003373
 Unscaled step for mode   82=        0.0000001888
 Unscaled step for mode   83=        0.0000001914
 Unscaled step for mode   84=        0.0000007685
 Unscaled step for mode   85=       -0.0000004231
 Unscaled step for mode   86=        0.0000002651
 Unscaled step for mode   87=        0.0000006973
 Unscaled step for mode   88=        0.0000002195
 Unscaled step for mode   89=       -0.0000001259
 Unscaled step for mode   90=        0.0000009642
 Unscaled step for mode   91=        0.0000007521
 Unscaled step for mode   92=        0.0000010962
 Unscaled step for mode   93=        0.0000000579
 Unscaled step for mode   94=        0.0000010926
 Unscaled step for mode   95=        0.0000002369
 Unscaled step for mode   96=       -0.0000000996
 Unscaled step for mode   97=        0.0000009931
 Unscaled step for mode   98=        0.0000013663
 Unscaled step for mode   99=       -0.0000032134
 Unscaled step for mode  100=       -0.0000022649
 Unscaled step for mode  101=       -0.0000007824
 Unscaled step for mode  102=        0.0000037750
 Unscaled step for mode  103=       -0.0000015512
 Unscaled step for mode  104=        0.0000047966
 Unscaled step for mode  105=        0.0000030389
 Unscaled step for mode  106=        0.0000030120
 Unscaled step for mode  107=       -0.0000025580
 Unscaled step for mode  108=       -0.0000005759
 Unscaled step for mode  109=       -0.0000050822
 Unscaled step for mode  110=       -0.0009925221
 Unscaled step for mode  111=        0.0000675797
 Unscaled step for mode  112=       -0.0017616574
 Unscaled step for mode  113=        0.0050214896
 Unscaled step for mode  114=       -0.2018873358
 Largest modulus ratio of non-zero e/values=           196.3929604    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.176725E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.818681E-15    0.100689E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.126201E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.241886E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.400660E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.361866E-15    0.974042E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.711665E-05    0.739049E+03  0.962946E-08 0.100000E-04    0.995805E+00
   8   -0.673890E-05    0.674265E+03  0.999444E-08 0.100000E-04    0.989779E+00
   9   -0.194528E-05    0.628104E+03  0.309706E-08 0.100000E-04    0.979301E+00
  10    0.274448E-05    0.603111E+03 -0.455053E-08 0.100000E-04    0.984402E+00
  11   -0.196324E-05    0.587416E+03  0.334216E-08 0.100000E-04    0.994856E+00
  12   -0.637936E-05    0.575206E+03  0.110906E-07 0.100000E-04    0.983781E+00
  13   -0.359957E-05    0.567051E+03  0.634788E-08 0.100000E-04    0.989313E+00
  14    0.256825E-05    0.485249E+03 -0.529264E-08 0.100000E-04    0.967234E+00
  15    0.207270E-05    0.462994E+03 -0.447674E-08 0.100000E-04    0.982105E+00
  16    0.737931E-05    0.460749E+03 -0.160159E-07 0.100000E-04    0.997702E+00
  17    0.438307E-05    0.441598E+03 -0.992549E-08 0.100000E-04    0.987596E+00
  18    0.459856E-05    0.429073E+03 -0.107174E-07 0.100000E-04    0.999114E+00
  19   -0.193472E-04    0.422078E+03  0.458379E-07 0.100000E-04    0.999792E+00
  20    0.500706E-05    0.408482E+03 -0.122577E-07 0.100000E-04    0.989542E+00
  21    0.538354E-05    0.396946E+03 -0.135624E-07 0.100000E-04    0.990556E+00
  22   -0.110127E-04    0.388570E+03  0.283415E-07 0.100000E-04    0.998292E+00
  23    0.174410E-05    0.368702E+03 -0.473039E-08 0.100000E-04    0.959073E+00
  24   -0.530205E-05    0.361023E+03  0.146862E-07 0.100000E-04    0.991944E+00
  25   -0.234226E-04    0.350177E+03  0.668879E-07 0.100000E-04    0.998242E+00
  26   -0.361585E-04    0.335100E+03  0.107904E-06 0.100000E-04    0.999618E+00
  27   -0.177260E-04    0.327278E+03  0.541619E-07 0.100000E-04    0.998825E+00
  28    0.123828E-04    0.321589E+03 -0.385052E-07 0.100000E-04    0.995995E+00
  29    0.270896E-04    0.319883E+03 -0.846860E-07 0.100000E-04    0.995818E+00
  30   -0.243940E-04    0.310908E+03  0.784605E-07 0.100000E-04    0.997969E+00
  31   -0.219056E-04    0.302646E+03  0.723804E-07 0.100000E-04    0.992638E+00
  32   -0.100830E-04    0.289465E+03  0.348331E-07 0.100000E-04    0.996930E+00
  33    0.147521E-04    0.278411E+03 -0.529870E-07 0.100000E-04    0.996629E+00
  34   -0.167748E-04    0.271396E+03  0.618092E-07 0.100000E-04    0.998064E+00
  35    0.250627E-04    0.267598E+03 -0.936580E-07 0.100000E-04    0.996916E+00
  36    0.231577E-04    0.264676E+03 -0.874944E-07 0.100000E-04    0.996653E+00
  37   -0.211404E-04    0.261176E+03  0.809430E-07 0.100000E-04    0.999781E+00
  38    0.384675E-05    0.253864E+03 -0.151528E-07 0.100000E-04    0.984376E+00
  39   -0.217754E-04    0.241868E+03  0.900302E-07 0.100000E-04    0.999885E+00
  40   -0.258049E-04    0.239394E+03  0.107792E-06 0.100000E-04    0.994057E+00
  41   -0.469747E-04    0.234085E+03  0.200674E-06 0.100000E-04    0.997873E+00
  42   -0.188225E-04    0.228012E+03  0.825501E-07 0.100000E-04    0.993255E+00
  43   -0.200043E-04    0.218357E+03  0.916128E-07 0.100000E-04    0.994304E+00
  44   -0.374251E-04    0.214415E+03  0.174546E-06 0.100000E-04    0.993967E+00
  45    0.339873E-05    0.212881E+03 -0.159654E-07 0.100000E-04    0.996617E+00
  46    0.331936E-04    0.207174E+03 -0.160220E-06 0.100000E-04    0.996590E+00
  47   -0.281182E-04    0.203512E+03  0.138165E-06 0.100000E-04    0.999965E+00
  48    0.671570E-05    0.196771E+03 -0.341296E-07 0.100000E-04    0.995874E+00
  49    0.303612E-04    0.194957E+03 -0.155732E-06 0.100000E-04    0.994881E+00
  50    0.791048E-05    0.191380E+03 -0.413339E-07 0.100000E-04    0.967292E+00
  51   -0.184229E-04    0.183435E+03  0.100433E-06 0.100000E-04    0.996278E+00
  52   -0.678636E-05    0.174282E+03  0.389390E-07 0.100000E-04    0.989593E+00
  53   -0.150644E-04    0.172254E+03  0.874548E-07 0.100000E-04    0.999962E+00
  54    0.232578E-04    0.167727E+03 -0.138665E-06 0.100000E-04    0.994644E+00
  55   -0.226104E-04    0.164297E+03  0.137619E-06 0.100000E-04    0.998570E+00
  56    0.674102E-05    0.158024E+03 -0.426582E-07 0.100000E-04    0.991943E+00
  57   -0.149433E-04    0.154400E+03  0.967828E-07 0.100000E-04    0.997495E+00
  58    0.270486E-04    0.151839E+03 -0.178140E-06 0.100000E-04    0.998910E+00
  59    0.582537E-05    0.147845E+03 -0.394020E-07 0.100000E-04    0.998408E+00
  60    0.251005E-04    0.143451E+03 -0.174977E-06 0.100000E-04    0.997911E+00
  61   -0.352277E-04    0.137426E+03  0.256339E-06 0.100000E-04    0.996466E+00
  62    0.245924E-04    0.135939E+03 -0.180909E-06 0.100000E-04    0.996595E+00
  63    0.191432E-04    0.130538E+03 -0.146649E-06 0.100000E-04    0.985785E+00
  64   -0.383566E-04    0.128446E+03  0.298620E-06 0.100000E-04    0.996931E+00
  65   -0.243195E-04    0.126433E+03  0.192351E-06 0.100000E-04    0.995033E+00
  66    0.121292E-04    0.125170E+03 -0.969015E-07 0.100000E-04    0.986148E+00
  67   -0.137528E-04    0.119881E+03  0.114720E-06 0.100000E-04    0.987669E+00
  68   -0.896816E-05    0.118133E+03  0.759157E-07 0.100000E-04    0.997227E+00
  69    0.799596E-05    0.117110E+03 -0.682775E-07 0.100000E-04    0.994440E+00
  70    0.317212E-04    0.110578E+03 -0.286867E-06 0.100000E-04    0.992890E+00
  71   -0.711662E-05    0.107313E+03  0.663167E-07 0.100000E-04    0.997826E+00
  72   -0.768487E-04    0.104527E+03  0.735205E-06 0.100000E-04    0.999363E+00
  73    0.299916E-04    0.103048E+03 -0.291046E-06 0.100000E-04    0.999195E+00
  74    0.240530E-04    0.996924E+02 -0.241273E-06 0.100000E-04    0.991960E+00
  75    0.836562E-04    0.957951E+02 -0.873283E-06 0.100000E-04    0.999827E+00
  76   -0.343312E-04    0.938628E+02  0.365760E-06 0.100000E-04    0.981815E+00
  77    0.349782E-04    0.936840E+02 -0.373363E-06 0.100000E-04    0.987876E+00
  78   -0.135137E-04    0.908317E+02  0.148777E-06 0.100000E-04    0.975780E+00
  79   -0.699802E-05    0.892266E+02  0.784297E-07 0.100000E-04    0.985910E+00
  80   -0.213459E-04    0.852444E+02  0.250408E-06 0.100000E-04    0.997603E+00
  81   -0.272852E-04    0.808814E+02  0.337348E-06 0.100000E-04    0.997476E+00
  82   -0.151080E-04    0.800051E+02  0.188839E-06 0.100000E-04    0.980699E+00
  83   -0.149682E-04    0.781886E+02  0.191437E-06 0.100000E-04    0.987976E+00
  84   -0.561179E-04    0.730219E+02  0.768508E-06 0.100000E-04    0.998301E+00
  85    0.307149E-04    0.725966E+02 -0.423089E-06 0.100000E-04    0.982479E+00
  86   -0.180819E-04    0.682098E+02  0.265092E-06 0.100000E-04    0.994719E+00
  87   -0.457295E-04    0.655854E+02  0.697251E-06 0.100000E-04    0.999995E+00
  88   -0.137523E-04    0.626505E+02  0.219508E-06 0.100000E-04    0.999827E+00
  89    0.754794E-05    0.599534E+02 -0.125897E-06 0.100000E-04    0.972886E+00
  90   -0.573033E-04    0.594312E+02  0.964195E-06 0.100000E-04    0.993497E+00
  91   -0.443080E-04    0.589130E+02  0.752092E-06 0.100000E-04    0.991487E+00
  92   -0.614332E-04    0.560425E+02  0.109619E-05 0.100000E-04    0.996256E+00
  93   -0.304479E-05    0.525804E+02  0.579072E-07 0.100000E-04    0.766779E+00
  94   -0.571599E-04    0.523139E+02  0.109263E-05 0.100000E-04    0.996988E+00
  95   -0.118481E-04    0.500131E+02  0.236899E-06 0.100000E-04    0.958080E+00
  96    0.468646E-05    0.470561E+02 -0.995930E-07 0.100000E-04    0.981715E+00
  97   -0.426190E-04    0.429170E+02  0.993056E-06 0.100000E-04    0.988447E+00
  98   -0.555008E-04    0.406207E+02  0.136632E-05 0.100000E-04    0.998739E+00
  99    0.121312E-03    0.377514E+02 -0.321343E-05 0.100000E-04    0.995048E+00
 100    0.823899E-04    0.363775E+02 -0.226486E-05 0.100000E-04    0.999718E+00
 101    0.262495E-04    0.335518E+02 -0.782357E-06 0.100000E-04    0.978351E+00
 102   -0.108672E-03    0.287876E+02  0.377496E-05 0.100000E-04    0.998194E+00
 103    0.442744E-04    0.285414E+02 -0.155124E-05 0.100000E-04    0.994313E+00
 104   -0.128633E-03    0.268175E+02  0.479663E-05 0.100000E-04    0.997838E+00
 105   -0.703800E-04    0.231593E+02  0.303895E-05 0.100000E-04    0.996477E+00
 106   -0.632301E-04    0.209926E+02  0.301202E-05 0.100000E-04    0.995765E+00
 107    0.526098E-04    0.205666E+02 -0.255802E-05 0.100000E-04    0.978017E+00
 108    0.963936E-05    0.167371E+02 -0.575929E-06 0.100000E-04    0.909089E+00
 109    0.703071E-04    0.138339E+02 -0.508222E-05 0.100000E-04    0.996278E+00
 110    0.121471E-01    0.122386E+02 -0.100000E-04 0.100000E-04    0.486440E+00
 111   -0.676843E-03    0.100155E+02  0.100000E-04 0.100000E-04    0.622170E+00
 112    0.150522E-01    0.854431E+01 -0.177685E-04 0.177685E-04    0.787237E-01
 113   -0.324053E-01    0.645316E+01  0.365504E-04 0.365504E-04    0.188745E+00
 114   -0.792006E+00    0.376311E+01 -0.400000E-03 0.400000E-03    0.152093E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2018873358    

 Beginning of optimization cycle  418.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3310007270
 potential> RMS force:                                               0.0744017055   |gradient|=.7943928318    
 Eigenvalues of the Hessian matrix:
   739.11569    674.27153    628.11852    603.09521    587.40698    575.24790 
   567.04710    485.27592    462.97057    460.74326    441.60060    429.06762 
   422.07965    408.48572    396.94111    388.56497    368.71273    361.01548 
   350.16897    335.09455    327.29570    321.59295    319.87160    310.89199 
   302.62830    289.47573    278.40807    271.40669    267.60531    264.67899 
   261.19828    253.86105    241.86343    239.40743    234.07662    228.00522 
   218.33708    214.42152    212.88786    207.17558    203.50987    196.76035 
   194.95376    191.37842    183.42582    174.27525    172.25681    167.73005 
   164.28698    158.01228    154.40493    151.84459    147.83421    143.45221 
   137.43061    135.93859    130.53660    128.45032    126.43702    125.16362 
   119.88268    118.13383    117.11005    110.57365    107.30761    104.52458 
   103.04639     99.69155     95.79703     93.87081     93.66732     90.83528 
    89.22017     85.24743     80.88089     80.00749     78.18730     73.02560 
    72.60023     68.20861     65.57600     62.64071     59.95419     59.42858 
    58.90741     56.04204     52.57919     52.31330     50.01296     47.04928 
    42.91883     40.62359     37.75448     36.37928     33.53905     28.78746 
    28.54012     26.81008     23.16140     20.99406     20.56168     16.73560 
    13.83452     12.23864     10.01677      8.54237      6.44444      3.75736 
overlap for current and previous eigenvector    109 is        -0.9999997980
overlap for current and previous eigenvector    110 is         0.9999996790
overlap for current and previous eigenvector    111 is        -0.9999997373
overlap for current and previous eigenvector    112 is        -0.9999985773
overlap for current and previous eigenvector    113 is         0.9999984736
overlap for current and previous eigenvector    114 is         0.9999996577
J1,K1,R1,R2,RAT=   7   7   -0.5235015215E-02     2.005054804        0.9947649848    
FOB,PFOB,DIAG,PSTEP=   -0.7153906171E-05   -0.7116647058E-05     739.1156857        0.9629464645E-08
J1,K1,R1,R2,RAT=   8   8   -0.8656277765E-02     2.008637141        0.9913437222    
FOB,PFOB,DIAG,PSTEP=   -0.6797233295E-05   -0.6738898956E-05     674.2715336        0.9994435625E-08
J1,K1,R1,R2,RAT=   9   9   -0.5868922792E-01     2.058641430        0.9413107721    
FOB,PFOB,DIAG,PSTEP=   -0.2059444989E-05   -0.1945275541E-05     628.1185222        0.3097062041E-08
J1,K1,R1,R2,RAT=  10  10   -0.1505947374E-02     2.001559846        0.9984940526    
FOB,PFOB,DIAG,PSTEP=    0.2748611609E-05    0.2744478680E-05     603.0952091       -0.4550533114E-08
J1,K1,R1,R2,RAT=  11  11    0.1717903361E-01     1.982852586        0.9828209664    
FOB,PFOB,DIAG,PSTEP=   -0.1929510740E-05   -0.1963236717E-05     587.4069784        0.3342155867E-08
J1,K1,R1,R2,RAT= 109 109     2.015620043       -0.1570671113E-01    0.9842932889    
FOB,PFOB,DIAG,PSTEP=   -0.7141142493E-04    0.7030708402E-04     13.83452148       -0.5082223546E-05
J1,K1,R1,R2,RAT= 110 110   -0.4981869716         199.0023920        0.5018130284    
FOB,PFOB,DIAG,PSTEP=    0.1220807795E-01    0.1214710665E-01     12.23863912       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     13.14324760        0.3709562265        0.6290437735    
FOB,PFOB,DIAG,PSTEP=    0.6396853108E-03   -0.6768431304E-03     10.01676664        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     199.1741098       -0.8382227447        0.1617772553    
FOB,PFOB,DIAG,PSTEP=   -0.1517942075E-01    0.1505219124E-01     8.542369884       -0.1776847059E-04
J1,K1,R1,R2,RAT= 113 113   -0.7784089684         275.9277564        0.2215910316    
FOB,PFOB,DIAG,PSTEP=   -0.3258865041E-01   -0.3240529853E-01     6.444443317        0.3655039941E-04
J1,K1,R1,R2,RAT= 114 114    0.9838478904        -1054.923707        0.1615210955E-01
FOB,PFOB,DIAG,PSTEP=   -0.7934846900       -0.7920060223         3.757358713       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00002      0.00002 
     0.00002      0.00001      0.00001     -0.00003     -0.00001      0.00003 
    -0.00004     -0.00002     -0.00002      0.00004      0.00002     -0.00001 
    -0.00001     -0.00001      0.00001     -0.00003     -0.00001     -0.00008 
     0.00003     -0.00002      0.00008      0.00003      0.00004     -0.00001 
     0.00001     -0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00003      0.00002     -0.00005     -0.00001      0.00001      0.00006 
     0.00004     -0.00006      0.00000     -0.00006      0.00001     -0.00000 
     0.00004      0.00006      0.00012     -0.00008      0.00003      0.00011 
     0.00004     -0.00013      0.00007      0.00006     -0.00005      0.00001 
    -0.00007      0.01221      0.00064     -0.01518     -0.03259     -0.79348 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4088670349
 Log product of positive Hessian eigenvalues =          519.4547083090
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7573587133
 Unscaled step for mode    7=        0.0000000097
 Unscaled step for mode    8=        0.0000000101
 Unscaled step for mode    9=        0.0000000033
 Unscaled step for mode   10=       -0.0000000046
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000114
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000055
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000097
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000458
 Unscaled step for mode   20=       -0.0000000120
 Unscaled step for mode   21=       -0.0000000133
 Unscaled step for mode   22=        0.0000000286
 Unscaled step for mode   23=       -0.0000000051
 Unscaled step for mode   24=        0.0000000150
 Unscaled step for mode   25=        0.0000000668
 Unscaled step for mode   26=        0.0000001078
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000382
 Unscaled step for mode   29=       -0.0000000851
 Unscaled step for mode   30=        0.0000000787
 Unscaled step for mode   31=        0.0000000728
 Unscaled step for mode   32=        0.0000000354
 Unscaled step for mode   33=       -0.0000000531
 Unscaled step for mode   34=        0.0000000621
 Unscaled step for mode   35=       -0.0000000940
 Unscaled step for mode   36=       -0.0000000882
 Unscaled step for mode   37=        0.0000000808
 Unscaled step for mode   38=       -0.0000000155
 Unscaled step for mode   39=        0.0000000899
 Unscaled step for mode   40=        0.0000001090
 Unscaled step for mode   41=        0.0000002013
 Unscaled step for mode   42=        0.0000000837
 Unscaled step for mode   43=        0.0000000920
 Unscaled step for mode   44=        0.0000001761
 Unscaled step for mode   45=       -0.0000000162
 Unscaled step for mode   46=       -0.0000001610
 Unscaled step for mode   47=        0.0000001384
 Unscaled step for mode   48=       -0.0000000337
 Unscaled step for mode   49=       -0.0000001563
 Unscaled step for mode   50=       -0.0000000402
 Unscaled step for mode   51=        0.0000001003
 Unscaled step for mode   52=        0.0000000390
 Unscaled step for mode   53=       -0.0000000871
 Unscaled step for mode   54=       -0.0000001388
 Unscaled step for mode   55=       -0.0000001382
 Unscaled step for mode   56=       -0.0000000438
 Unscaled step for mode   57=       -0.0000000965
 Unscaled step for mode   58=        0.0000001785
 Unscaled step for mode   59=        0.0000000403
 Unscaled step for mode   60=       -0.0000001746
 Unscaled step for mode   61=        0.0000002554
 Unscaled step for mode   62=        0.0000001807
 Unscaled step for mode   63=        0.0000001446
 Unscaled step for mode   64=       -0.0000002995
 Unscaled step for mode   65=       -0.0000001907
 Unscaled step for mode   66=        0.0000000962
 Unscaled step for mode   67=        0.0000001172
 Unscaled step for mode   68=        0.0000000752
 Unscaled step for mode   69=       -0.0000000682
 Unscaled step for mode   70=        0.0000002884
 Unscaled step for mode   71=        0.0000000669
 Unscaled step for mode   72=        0.0000007373
 Unscaled step for mode   73=       -0.0000002901
 Unscaled step for mode   74=        0.0000002400
 Unscaled step for mode   75=       -0.0000008724
 Unscaled step for mode   76=       -0.0000003589
 Unscaled step for mode   77=       -0.0000003787
 Unscaled step for mode   78=        0.0000001478
 Unscaled step for mode   79=       -0.0000000783
 Unscaled step for mode   80=        0.0000002494
 Unscaled step for mode   81=       -0.0000003391
 Unscaled step for mode   82=       -0.0000001919
 Unscaled step for mode   83=        0.0000001892
 Unscaled step for mode   84=       -0.0000007687
 Unscaled step for mode   85=        0.0000004157
 Unscaled step for mode   86=       -0.0000002647
 Unscaled step for mode   87=        0.0000006942
 Unscaled step for mode   88=        0.0000002263
 Unscaled step for mode   89=       -0.0000001278
 Unscaled step for mode   90=       -0.0000009549
 Unscaled step for mode   91=       -0.0000007539
 Unscaled step for mode   92=        0.0000010964
 Unscaled step for mode   93=       -0.0000000714
 Unscaled step for mode   94=        0.0000010936
 Unscaled step for mode   95=       -0.0000002324
 Unscaled step for mode   96=        0.0000000990
 Unscaled step for mode   97=       -0.0000009789
 Unscaled step for mode   98=       -0.0000013636
 Unscaled step for mode   99=       -0.0000031956
 Unscaled step for mode  100=        0.0000022493
 Unscaled step for mode  101=       -0.0000007548
 Unscaled step for mode  102=       -0.0000037707
 Unscaled step for mode  103=       -0.0000015656
 Unscaled step for mode  104=        0.0000048338
 Unscaled step for mode  105=       -0.0000030114
 Unscaled step for mode  106=       -0.0000029454
 Unscaled step for mode  107=        0.0000025397
 Unscaled step for mode  108=       -0.0000004618
 Unscaled step for mode  109=        0.0000051618
 Unscaled step for mode  110=       -0.0009975019
 Unscaled step for mode  111=       -0.0000638615
 Unscaled step for mode  112=        0.0017769510
 Unscaled step for mode  113=        0.0050567311
 Unscaled step for mode  114=       -0.2025200354
 Largest modulus ratio of non-zero e/values=           196.7115046    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.541451E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.127632E-14    0.100688E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.258212E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.220256E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.265413E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.518845E-15    0.974043E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.715391E-05    0.739116E+03  0.967901E-08 0.100000E-04    0.994765E+00
   8   -0.679723E-05    0.674272E+03  0.100809E-07 0.100000E-04    0.991344E+00
   9   -0.205944E-05    0.628119E+03  0.327875E-08 0.100000E-04    0.941311E+00
  10    0.274861E-05    0.603095E+03 -0.455751E-08 0.100000E-04    0.998494E+00
  11   -0.192951E-05    0.587407E+03  0.328479E-08 0.100000E-04    0.982821E+00
  12   -0.655627E-05    0.575248E+03  0.113973E-07 0.100000E-04    0.972270E+00
  13   -0.357309E-05    0.567047E+03  0.630122E-08 0.100000E-04    0.992643E+00
  14    0.267258E-05    0.485276E+03 -0.550733E-08 0.100000E-04    0.959381E+00
  15    0.202851E-05    0.462971E+03 -0.438151E-08 0.100000E-04    0.978678E+00
  16    0.735480E-05    0.460743E+03 -0.159629E-07 0.100000E-04    0.996679E+00
  17    0.429922E-05    0.441601E+03 -0.973555E-08 0.100000E-04    0.980856E+00
  18    0.450896E-05    0.429068E+03 -0.105087E-07 0.100000E-04    0.980514E+00
  19   -0.193441E-04    0.422080E+03  0.458304E-07 0.100000E-04    0.999834E+00
  20    0.489568E-05    0.408486E+03 -0.119849E-07 0.100000E-04    0.977740E+00
  21    0.529013E-05    0.396941E+03 -0.133272E-07 0.100000E-04    0.982648E+00
  22   -0.111201E-04    0.388565E+03  0.286184E-07 0.100000E-04    0.990246E+00
  23    0.186528E-05    0.368713E+03 -0.505889E-08 0.100000E-04    0.930526E+00
  24   -0.540949E-05    0.361015E+03  0.149841E-07 0.100000E-04    0.979737E+00
  25   -0.234001E-04    0.350169E+03  0.668252E-07 0.100000E-04    0.999040E+00
  26   -0.361374E-04    0.335095E+03  0.107843E-06 0.100000E-04    0.999418E+00
  27   -0.176631E-04    0.327296E+03  0.539669E-07 0.100000E-04    0.996346E+00
  28    0.122878E-04    0.321593E+03 -0.382093E-07 0.100000E-04    0.992302E+00
  29    0.272309E-04    0.319872E+03 -0.851306E-07 0.100000E-04    0.994785E+00
  30   -0.244769E-04    0.310892E+03  0.787314E-07 0.100000E-04    0.996598E+00
  31   -0.220334E-04    0.302628E+03  0.728067E-07 0.100000E-04    0.994169E+00
  32   -0.102432E-04    0.289476E+03  0.353853E-07 0.100000E-04    0.984108E+00
  33    0.147746E-04    0.278408E+03 -0.530682E-07 0.100000E-04    0.998477E+00
  34   -0.168484E-04    0.271407E+03  0.620780E-07 0.100000E-04    0.995612E+00
  35    0.251523E-04    0.267605E+03 -0.939905E-07 0.100000E-04    0.996422E+00
  36    0.233537E-04    0.264679E+03 -0.882340E-07 0.100000E-04    0.991537E+00
  37   -0.211119E-04    0.261198E+03  0.808272E-07 0.100000E-04    0.998482E+00
  38    0.392291E-05    0.253861E+03 -0.154530E-07 0.100000E-04    0.980203E+00
  39   -0.217535E-04    0.241863E+03  0.899412E-07 0.100000E-04    0.998992E+00
  40   -0.260972E-04    0.239407E+03  0.109008E-06 0.100000E-04    0.988671E+00
  41   -0.471282E-04    0.234077E+03  0.201337E-06 0.100000E-04    0.996731E+00
  42   -0.190781E-04    0.228005E+03  0.836738E-07 0.100000E-04    0.986419E+00
  43   -0.200904E-04    0.218337E+03  0.920157E-07 0.100000E-04    0.995695E+00
  44   -0.377641E-04    0.214422E+03  0.176121E-06 0.100000E-04    0.990943E+00
  45    0.345874E-05    0.212888E+03 -0.162468E-07 0.100000E-04    0.982345E+00
  46    0.333454E-04    0.207176E+03 -0.160953E-06 0.100000E-04    0.995425E+00
  47   -0.281583E-04    0.203510E+03  0.138363E-06 0.100000E-04    0.998574E+00
  48    0.663745E-05    0.196760E+03 -0.337337E-07 0.100000E-04    0.988348E+00
  49    0.304633E-04    0.194954E+03 -0.156259E-06 0.100000E-04    0.996635E+00
  50    0.768471E-05    0.191378E+03 -0.401545E-07 0.100000E-04    0.971459E+00
  51   -0.183947E-04    0.183426E+03  0.100284E-06 0.100000E-04    0.998468E+00
  52   -0.679658E-05    0.174275E+03  0.389991E-07 0.100000E-04    0.998494E+00
  53    0.150097E-04    0.172257E+03 -0.871357E-07 0.100000E-04    0.996333E+00
  54    0.232855E-04    0.167730E+03 -0.138827E-06 0.100000E-04    0.998808E+00
  55    0.227101E-04    0.164287E+03 -0.138234E-06 0.100000E-04    0.995590E+00
  56    0.692026E-05    0.158012E+03 -0.437957E-07 0.100000E-04    0.973409E+00
  57    0.148969E-04    0.154405E+03 -0.964796E-07 0.100000E-04    0.996837E+00
  58   -0.271076E-04    0.151845E+03  0.178522E-06 0.100000E-04    0.997817E+00
  59   -0.595312E-05    0.147834E+03  0.402689E-07 0.100000E-04    0.978070E+00
  60    0.250409E-04    0.143452E+03 -0.174559E-06 0.100000E-04    0.997601E+00
  61   -0.350962E-04    0.137431E+03  0.255374E-06 0.100000E-04    0.996200E+00
  62   -0.245679E-04    0.135939E+03  0.180728E-06 0.100000E-04    0.999003E+00
  63   -0.188714E-04    0.130537E+03  0.144568E-06 0.100000E-04    0.985799E+00
  64    0.384684E-04    0.128450E+03 -0.299481E-06 0.100000E-04    0.997083E+00
  65    0.241173E-04    0.126437E+03 -0.190746E-06 0.100000E-04    0.991618E+00
  66   -0.120450E-04    0.125164E+03  0.962340E-07 0.100000E-04    0.993060E+00
  67   -0.140452E-04    0.119883E+03  0.117158E-06 0.100000E-04    0.978737E+00
  68   -0.888688E-05    0.118134E+03  0.752273E-07 0.100000E-04    0.990927E+00
  69    0.798162E-05    0.117110E+03 -0.681549E-07 0.100000E-04    0.998201E+00
  70   -0.318847E-04    0.110574E+03  0.288357E-06 0.100000E-04    0.994845E+00
  71   -0.718095E-05    0.107308E+03  0.669193E-07 0.100000E-04    0.990959E+00
  72   -0.770640E-04    0.104525E+03  0.737281E-06 0.100000E-04    0.997198E+00
  73    0.298922E-04    0.103046E+03 -0.290085E-06 0.100000E-04    0.996686E+00
  74   -0.239215E-04    0.996916E+02  0.239955E-06 0.100000E-04    0.994530E+00
  75    0.835715E-04    0.957970E+02 -0.872381E-06 0.100000E-04    0.998947E+00
  76    0.336945E-04    0.938708E+02 -0.358945E-06 0.100000E-04    0.981283E+00
  77    0.354724E-04    0.936673E+02 -0.378706E-06 0.100000E-04    0.985868E+00
  78   -0.134264E-04    0.908353E+02  0.147810E-06 0.100000E-04    0.993462E+00
  79    0.699014E-05    0.892202E+02 -0.783470E-07 0.100000E-04    0.998874E+00
  80   -0.212625E-04    0.852474E+02  0.249421E-06 0.100000E-04    0.996023E+00
  81    0.274300E-04    0.808809E+02 -0.339141E-06 0.100000E-04    0.994691E+00
  82    0.153557E-04    0.800075E+02 -0.191929E-06 0.100000E-04    0.983606E+00
  83   -0.147954E-04    0.781873E+02  0.189231E-06 0.100000E-04    0.988458E+00
  84    0.561316E-04    0.730256E+02 -0.768657E-06 0.100000E-04    0.999754E+00
  85   -0.301808E-04    0.726002E+02  0.415712E-06 0.100000E-04    0.982512E+00
  86    0.180577E-04    0.682086E+02 -0.264742E-06 0.100000E-04    0.998663E+00
  87   -0.455233E-04    0.655760E+02  0.694207E-06 0.100000E-04    0.995491E+00
  88   -0.141745E-04    0.626407E+02  0.226282E-06 0.100000E-04    0.969295E+00
  89    0.766189E-05    0.599542E+02 -0.127796E-06 0.100000E-04    0.984903E+00
  90    0.567481E-04    0.594286E+02 -0.954895E-06 0.100000E-04    0.990310E+00
  91    0.444109E-04    0.589074E+02 -0.753910E-06 0.100000E-04    0.997677E+00
  92   -0.614437E-04    0.560420E+02  0.109639E-05 0.100000E-04    0.999828E+00
  93    0.375186E-05    0.525792E+02 -0.713565E-07 0.100000E-04    0.767768E+00
  94   -0.572086E-04    0.523133E+02  0.109358E-05 0.100000E-04    0.999149E+00
  95    0.116215E-04    0.500130E+02 -0.232370E-06 0.100000E-04    0.980878E+00
  96   -0.465944E-05    0.470493E+02  0.990332E-07 0.100000E-04    0.994233E+00
  97    0.420139E-04    0.429188E+02 -0.978915E-06 0.100000E-04    0.985718E+00
  98    0.553934E-04    0.406236E+02 -0.136358E-05 0.100000E-04    0.997922E+00
  99    0.120649E-03    0.377545E+02 -0.319562E-05 0.100000E-04    0.994376E+00
 100   -0.818290E-04    0.363793E+02  0.224933E-05 0.100000E-04    0.993097E+00
 101    0.253169E-04    0.335391E+02 -0.754848E-06 0.100000E-04    0.964460E+00
 102    0.108549E-03    0.287875E+02 -0.377070E-05 0.100000E-04    0.998869E+00
 103    0.446820E-04    0.285401E+02 -0.156559E-05 0.100000E-04    0.990794E+00
 104   -0.129595E-03    0.268101E+02  0.483382E-05 0.100000E-04    0.992521E+00
 105    0.697471E-04    0.231614E+02 -0.301135E-05 0.100000E-04    0.990830E+00
 106    0.618369E-04    0.209941E+02 -0.294545E-05 0.100000E-04    0.977825E+00
 107   -0.522207E-04    0.205617E+02  0.253971E-05 0.100000E-04    0.992601E+00
 108    0.772881E-05    0.167356E+02 -0.461819E-06 0.100000E-04    0.801780E+00
 109   -0.714114E-04    0.138345E+02  0.516183E-05 0.100000E-04    0.984293E+00
 110    0.122081E-01    0.122386E+02 -0.100000E-04 0.100000E-04    0.501813E+00
 111    0.639685E-03    0.100168E+02 -0.100000E-04 0.100000E-04    0.629044E+00
 112   -0.151794E-01    0.854237E+01  0.193676E-04 0.193676E-04    0.161777E+00
 113   -0.325887E-01    0.644444E+01  0.329283E-04 0.329283E-04    0.221591E+00
 114   -0.793485E+00    0.375736E+01 -0.400000E-03 0.400000E-03    0.161521E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2025200354    

 Beginning of optimization cycle  419.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3306845237
 potential> RMS force:                                               0.0745408967   |gradient|=.7958789868    
 Eigenvalues of the Hessian matrix:
   739.18220    674.27838    628.13348    603.07862    587.39794    575.28925 
   567.04372    485.30301    462.94728    460.73711    441.60375    429.06161 
   422.08082    408.48901    396.93609    388.55954    368.72391    361.00789 
   350.16078    335.08890    327.31346    321.59728    319.85981    310.87636 
   302.61042    289.48663    278.40524    271.41771    267.61267    264.68161 
   261.22045    253.85770    241.85843    239.42046    234.06811    227.99779 
   218.31684    214.42831    212.89459    207.17676    203.50747    196.74999 
   194.94997    191.37673    183.41665    174.26865    172.25980    167.73327 
   164.27747    158.00045    154.40959    151.85035    147.82401    143.45395 
   137.43516    135.93864    130.53531    128.45447    126.44148    125.15733 
   119.88404    118.13441    117.11047    110.56940    107.30276    104.52237 
   103.04495     99.69076     95.79912     93.87880     93.65061     90.83879 
    89.21379     85.25035     80.88034     80.00981     78.18602     73.02944 
    72.60398     68.20752     65.56677     62.63084     59.95500     59.42613 
    58.90181     56.04169     52.57808     52.31277     50.01284     47.04251 
    42.92059     40.62650     37.75761     36.38123     33.52642     28.78735 
    28.53883     26.80272     23.16342     20.99580     20.55652     16.73414 
    13.83512     12.23867     10.01804      8.54039      6.43573      3.75160 
overlap for current and previous eigenvector    109 is        -0.9999998028
overlap for current and previous eigenvector    110 is        -0.9999996841
overlap for current and previous eigenvector    111 is         0.9999997503
overlap for current and previous eigenvector    112 is         0.9999986053
overlap for current and previous eigenvector    113 is         0.9999984997
overlap for current and previous eigenvector    114 is         0.9999996704
J1,K1,R1,R2,RAT=   7   7   -0.5726131893E-02     2.005546154        0.9942738681    
FOB,PFOB,DIAG,PSTEP=   -0.7194874068E-05   -0.7153906171E-05     739.1822039        0.9679007372E-08
J1,K1,R1,R2,RAT=   8   8    0.5441271932E-02     1.994538429        0.9945384285    
FOB,PFOB,DIAG,PSTEP=   -0.6760247325E-05   -0.6797233295E-05     674.2783774        0.1008085461E-07
J1,K1,R1,R2,RAT=   9   9    0.7589719713E-02     1.992362664        0.9923626639    
FOB,PFOB,DIAG,PSTEP=   -0.2043814007E-05   -0.2059444989E-05     628.1334769        0.3278752204E-08
J1,K1,R1,R2,RAT=  10  10   -0.2853495331E-01     2.028589953        0.9714650467    
FOB,PFOB,DIAG,PSTEP=    0.2827040956E-05    0.2748611609E-05     603.0786246       -0.4557508612E-08
J1,K1,R1,R2,RAT=  11  11   -0.1418607352E-01     2.014216851        0.9858139265    
FOB,PFOB,DIAG,PSTEP=   -0.1956882500E-05   -0.1929510740E-05     587.3979391        0.3284793698E-08
J1,K1,R1,R2,RAT= 109 109     1.997904948        0.2007884980E-02    0.9979049480    
FOB,PFOB,DIAG,PSTEP=    0.7126803276E-04   -0.7141142493E-04     13.83512447        0.5161828330E-05
J1,K1,R1,R2,RAT= 110 110     200.0225699       -0.5225020425        0.4774979575    
FOB,PFOB,DIAG,PSTEP=   -0.1227202526E-01    0.1220807795E-01     12.23867048       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3711347843         12.39953342        0.6288652157    
FOB,PFOB,DIAG,PSTEP=    0.6025048805E-03    0.6396853108E-03     10.01803978       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6628267075         184.2028937        0.3371732925    
FOB,PFOB,DIAG,PSTEP=   -0.1528905704E-01   -0.1517942075E-01     8.540391175        0.1936763295E-04
J1,K1,R1,R2,RAT= 113 113   -0.8947615380         308.4543105        0.1052384620    
FOB,PFOB,DIAG,PSTEP=   -0.3277826619E-01   -0.3258865041E-01     6.435732840        0.3292828776E-04
J1,K1,R1,R2,RAT= 114 114    0.9842470034        -1058.512960        0.1575299658E-01
FOB,PFOB,DIAG,PSTEP=   -0.7949616900       -0.7934846900         3.751598799       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00002      0.00002 
    -0.00002     -0.00001      0.00002      0.00003      0.00001      0.00003 
    -0.00004     -0.00002     -0.00002      0.00004      0.00002     -0.00001 
     0.00001      0.00001     -0.00001     -0.00003      0.00001      0.00008 
     0.00003     -0.00002      0.00008     -0.00003     -0.00004     -0.00001 
     0.00001     -0.00002     -0.00003     -0.00002      0.00001     -0.00006 
    -0.00003     -0.00002      0.00005     -0.00001      0.00001      0.00006 
     0.00005     -0.00006     -0.00000      0.00006     -0.00001     -0.00001 
     0.00004      0.00006      0.00012     -0.00008     -0.00003      0.00011 
    -0.00004     -0.00013     -0.00007     -0.00006      0.00005     -0.00001 
     0.00007     -0.01227      0.00060     -0.01529     -0.03278     -0.79496 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4086252393
 Log product of positive Hessian eigenvalues =          519.4503570684
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7515987991
 Unscaled step for mode    7=        0.0000000097
 Unscaled step for mode    8=        0.0000000100
 Unscaled step for mode    9=        0.0000000033
 Unscaled step for mode   10=       -0.0000000047
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000113
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000055
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000460
 Unscaled step for mode   20=       -0.0000000120
 Unscaled step for mode   21=       -0.0000000134
 Unscaled step for mode   22=        0.0000000287
 Unscaled step for mode   23=       -0.0000000048
 Unscaled step for mode   24=        0.0000000151
 Unscaled step for mode   25=        0.0000000670
 Unscaled step for mode   26=        0.0000001081
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000382
 Unscaled step for mode   29=       -0.0000000859
 Unscaled step for mode   30=        0.0000000783
 Unscaled step for mode   31=        0.0000000727
 Unscaled step for mode   32=        0.0000000355
 Unscaled step for mode   33=       -0.0000000535
 Unscaled step for mode   34=        0.0000000626
 Unscaled step for mode   35=       -0.0000000937
 Unscaled step for mode   36=       -0.0000000882
 Unscaled step for mode   37=        0.0000000810
 Unscaled step for mode   38=       -0.0000000156
 Unscaled step for mode   39=        0.0000000902
 Unscaled step for mode   40=        0.0000001096
 Unscaled step for mode   41=        0.0000002014
 Unscaled step for mode   42=        0.0000000836
 Unscaled step for mode   43=        0.0000000917
 Unscaled step for mode   44=        0.0000001762
 Unscaled step for mode   45=       -0.0000000171
 Unscaled step for mode   46=       -0.0000001612
 Unscaled step for mode   47=        0.0000001378
 Unscaled step for mode   48=       -0.0000000342
 Unscaled step for mode   49=       -0.0000001559
 Unscaled step for mode   50=       -0.0000000418
 Unscaled step for mode   51=        0.0000001001
 Unscaled step for mode   52=        0.0000000392
 Unscaled step for mode   53=       -0.0000000874
 Unscaled step for mode   54=       -0.0000001388
 Unscaled step for mode   55=        0.0000001383
 Unscaled step for mode   56=        0.0000000441
 Unscaled step for mode   57=       -0.0000000973
 Unscaled step for mode   58=       -0.0000001785
 Unscaled step for mode   59=       -0.0000000409
 Unscaled step for mode   60=       -0.0000001746
 Unscaled step for mode   61=        0.0000002577
 Unscaled step for mode   62=        0.0000001803
 Unscaled step for mode   63=        0.0000001461
 Unscaled step for mode   64=       -0.0000003008
 Unscaled step for mode   65=       -0.0000001924
 Unscaled step for mode   66=        0.0000000962
 Unscaled step for mode   67=       -0.0000001167
 Unscaled step for mode   68=       -0.0000000754
 Unscaled step for mode   69=        0.0000000692
 Unscaled step for mode   70=        0.0000002867
 Unscaled step for mode   71=       -0.0000000666
 Unscaled step for mode   72=       -0.0000007412
 Unscaled step for mode   73=       -0.0000002904
 Unscaled step for mode   74=        0.0000002407
 Unscaled step for mode   75=       -0.0000008731
 Unscaled step for mode   76=        0.0000003551
 Unscaled step for mode   77=        0.0000003845
 Unscaled step for mode   78=        0.0000001473
 Unscaled step for mode   79=       -0.0000000788
 Unscaled step for mode   80=        0.0000002481
 Unscaled step for mode   81=        0.0000003397
 Unscaled step for mode   82=        0.0000001912
 Unscaled step for mode   83=       -0.0000001864
 Unscaled step for mode   84=        0.0000007758
 Unscaled step for mode   85=        0.0000004172
 Unscaled step for mode   86=        0.0000002681
 Unscaled step for mode   87=       -0.0000006974
 Unscaled step for mode   88=        0.0000002289
 Unscaled step for mode   89=       -0.0000001214
 Unscaled step for mode   90=       -0.0000009520
 Unscaled step for mode   91=       -0.0000007698
 Unscaled step for mode   92=        0.0000010902
 Unscaled step for mode   93=        0.0000000784
 Unscaled step for mode   94=       -0.0000010977
 Unscaled step for mode   95=        0.0000002382
 Unscaled step for mode   96=        0.0000001079
 Unscaled step for mode   97=       -0.0000009949
 Unscaled step for mode   98=       -0.0000013727
 Unscaled step for mode   99=       -0.0000032109
 Unscaled step for mode  100=        0.0000022457
 Unscaled step for mode  101=        0.0000007820
 Unscaled step for mode  102=       -0.0000037910
 Unscaled step for mode  103=        0.0000015693
 Unscaled step for mode  104=        0.0000048830
 Unscaled step for mode  105=        0.0000030286
 Unscaled step for mode  106=        0.0000030221
 Unscaled step for mode  107=       -0.0000023666
 Unscaled step for mode  108=        0.0000005646
 Unscaled step for mode  109=       -0.0000051512
 Unscaled step for mode  110=        0.0010027244
 Unscaled step for mode  111=       -0.0000601420
 Unscaled step for mode  112=        0.0017902000
 Unscaled step for mode  113=        0.0050930355
 Unscaled step for mode  114=       -0.2031540217
 Largest modulus ratio of non-zero e/values=           197.0312508    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.370797E-16    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.116498E-14    0.100688E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.455365E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.194737E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.292084E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.458577E-15    0.974045E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.719487E-05    0.739182E+03  0.973356E-08 0.100000E-04    0.994274E+00
   8   -0.676025E-05    0.674278E+03  0.100259E-07 0.100000E-04    0.994538E+00
   9   -0.204381E-05    0.628133E+03  0.325379E-08 0.100000E-04    0.992363E+00
  10    0.282704E-05    0.603079E+03 -0.468768E-08 0.100000E-04    0.971465E+00
  11   -0.195688E-05    0.587398E+03  0.333144E-08 0.100000E-04    0.985814E+00
  12   -0.651356E-05    0.575289E+03  0.113222E-07 0.100000E-04    0.993342E+00
  13   -0.353856E-05    0.567044E+03  0.624036E-08 0.100000E-04    0.990336E+00
  14    0.267462E-05    0.485303E+03 -0.551124E-08 0.100000E-04    0.999235E+00
  15    0.202101E-05    0.462947E+03 -0.436552E-08 0.100000E-04    0.996300E+00
  16    0.740160E-05    0.460737E+03 -0.160647E-07 0.100000E-04    0.993637E+00
  17    0.437149E-05    0.441604E+03 -0.989912E-08 0.100000E-04    0.983191E+00
  18    0.451592E-05    0.429062E+03 -0.105251E-07 0.100000E-04    0.998455E+00
  19   -0.194203E-04    0.422081E+03  0.460108E-07 0.100000E-04    0.996062E+00
  20    0.491252E-05    0.408489E+03 -0.120261E-07 0.100000E-04    0.996560E+00
  21    0.530923E-05    0.396936E+03 -0.133755E-07 0.100000E-04    0.996388E+00
  22   -0.111656E-04    0.388560E+03  0.287359E-07 0.100000E-04    0.995908E+00
  23    0.178012E-05    0.368724E+03 -0.482779E-08 0.100000E-04    0.954287E+00
  24   -0.543452E-05    0.361008E+03  0.150537E-07 0.100000E-04    0.995372E+00
  25   -0.234454E-04    0.350161E+03  0.669560E-07 0.100000E-04    0.998066E+00
  26   -0.362152E-04    0.335089E+03  0.108076E-06 0.100000E-04    0.997848E+00
  27   -0.176717E-04    0.327313E+03  0.539903E-07 0.100000E-04    0.999513E+00
  28    0.122763E-04    0.321597E+03 -0.381728E-07 0.100000E-04    0.999032E+00
  29    0.274785E-04    0.319860E+03 -0.859080E-07 0.100000E-04    0.990905E+00
  30   -0.243311E-04    0.310876E+03  0.782663E-07 0.100000E-04    0.994042E+00
  31   -0.220030E-04    0.302610E+03  0.727107E-07 0.100000E-04    0.998622E+00
  32   -0.102824E-04    0.289487E+03  0.355193E-07 0.100000E-04    0.996176E+00
  33    0.148883E-04    0.278405E+03 -0.534771E-07 0.100000E-04    0.992305E+00
  34   -0.169790E-04    0.271418E+03  0.625566E-07 0.100000E-04    0.992248E+00
  35    0.250717E-04    0.267613E+03 -0.936864E-07 0.100000E-04    0.996737E+00
  36    0.233572E-04    0.264682E+03 -0.882465E-07 0.100000E-04    0.999847E+00
  37   -0.211481E-04    0.261220E+03  0.809587E-07 0.100000E-04    0.998287E+00
  38    0.397218E-05    0.253858E+03 -0.156473E-07 0.100000E-04    0.987439E+00
  39   -0.218144E-04    0.241858E+03  0.901950E-07 0.100000E-04    0.997199E+00
  40   -0.262461E-04    0.239420E+03  0.109623E-06 0.100000E-04    0.994297E+00
  41   -0.471505E-04    0.234068E+03  0.201439E-06 0.100000E-04    0.999527E+00
  42   -0.190612E-04    0.227998E+03  0.836028E-07 0.100000E-04    0.999118E+00
  43   -0.200272E-04    0.218317E+03  0.917346E-07 0.100000E-04    0.996852E+00
  44   -0.377836E-04    0.214428E+03  0.176206E-06 0.100000E-04    0.999484E+00
  45    0.363820E-05    0.212895E+03 -0.170892E-07 0.100000E-04    0.948116E+00
  46    0.333976E-04    0.207177E+03 -0.161204E-06 0.100000E-04    0.998435E+00
  47   -0.280340E-04    0.203507E+03  0.137754E-06 0.100000E-04    0.995584E+00
  48    0.671973E-05    0.196750E+03 -0.341537E-07 0.100000E-04    0.987602E+00
  49    0.303863E-04    0.194950E+03 -0.155867E-06 0.100000E-04    0.997471E+00
  50    0.799834E-05    0.191377E+03 -0.417937E-07 0.100000E-04    0.959187E+00
  51   -0.183589E-04    0.183417E+03  0.100094E-06 0.100000E-04    0.998056E+00
  52   -0.683795E-05    0.174269E+03  0.392380E-07 0.100000E-04    0.993913E+00
  53    0.150628E-04    0.172260E+03 -0.874425E-07 0.100000E-04    0.996462E+00
  54    0.232882E-04    0.167733E+03 -0.138841E-06 0.100000E-04    0.999885E+00
  55   -0.227237E-04    0.164277E+03  0.138325E-06 0.100000E-04    0.999403E+00
  56   -0.696620E-05    0.158000E+03  0.440897E-07 0.100000E-04    0.993362E+00
  57    0.150176E-04    0.154410E+03 -0.972582E-07 0.100000E-04    0.991900E+00
  58    0.271094E-04    0.151850E+03 -0.178527E-06 0.100000E-04    0.999934E+00
  59    0.604827E-05    0.147824E+03 -0.409154E-07 0.100000E-04    0.984014E+00
  60    0.250464E-04    0.143454E+03 -0.174596E-06 0.100000E-04    0.999778E+00
  61   -0.354198E-04    0.137435E+03  0.257720E-06 0.100000E-04    0.990780E+00
  62   -0.245140E-04    0.135939E+03  0.180331E-06 0.100000E-04    0.997802E+00
  63   -0.190657E-04    0.130535E+03  0.146057E-06 0.100000E-04    0.989704E+00
  64    0.386405E-04    0.128454E+03 -0.300811E-06 0.100000E-04    0.995528E+00
  65    0.243317E-04    0.126441E+03 -0.192434E-06 0.100000E-04    0.991112E+00
  66   -0.120419E-04    0.125157E+03  0.962140E-07 0.100000E-04    0.999742E+00
  67    0.139899E-04    0.119884E+03 -0.116695E-06 0.100000E-04    0.996040E+00
  68    0.891076E-05    0.118134E+03 -0.754290E-07 0.100000E-04    0.997314E+00
  69   -0.810674E-05    0.117110E+03  0.692230E-07 0.100000E-04    0.984325E+00
  70   -0.316995E-04    0.110569E+03  0.286693E-06 0.100000E-04    0.994189E+00
  71    0.714980E-05    0.107303E+03 -0.666320E-07 0.100000E-04    0.995661E+00
  72    0.774674E-04    0.104522E+03 -0.741156E-06 0.100000E-04    0.994765E+00
  73    0.299263E-04    0.103045E+03 -0.290420E-06 0.100000E-04    0.998861E+00
  74   -0.239961E-04    0.996908E+02  0.240706E-06 0.100000E-04    0.996879E+00
  75    0.836389E-04    0.957991E+02 -0.873065E-06 0.100000E-04    0.999194E+00
  76   -0.333329E-04    0.938788E+02  0.355063E-06 0.100000E-04    0.989099E+00
  77   -0.360059E-04    0.936506E+02  0.384471E-06 0.100000E-04    0.984958E+00
  78   -0.133808E-04    0.908388E+02  0.147302E-06 0.100000E-04    0.996526E+00
  79    0.703247E-05    0.892138E+02 -0.788272E-07 0.100000E-04    0.993943E+00
  80   -0.211503E-04    0.852504E+02  0.248096E-06 0.100000E-04    0.994654E+00
  81   -0.274727E-04    0.808803E+02  0.339671E-06 0.100000E-04    0.998444E+00
  82   -0.152954E-04    0.800098E+02  0.191169E-06 0.100000E-04    0.996013E+00
  83    0.145731E-04    0.781860E+02 -0.186390E-06 0.100000E-04    0.984971E+00
  84   -0.566592E-04    0.730294E+02  0.775841E-06 0.100000E-04    0.990601E+00
  85   -0.302904E-04    0.726040E+02  0.417200E-06 0.100000E-04    0.996369E+00
  86   -0.182884E-04    0.682075E+02  0.268129E-06 0.100000E-04    0.987221E+00
  87    0.457290E-04    0.655668E+02 -0.697442E-06 0.100000E-04    0.995480E+00
  88   -0.143378E-04    0.626308E+02  0.228925E-06 0.100000E-04    0.988479E+00
  89    0.727603E-05    0.599550E+02 -0.121358E-06 0.100000E-04    0.949612E+00
  90    0.565708E-04    0.594261E+02 -0.951951E-06 0.100000E-04    0.996876E+00
  91    0.453454E-04    0.589018E+02 -0.769848E-06 0.100000E-04    0.978955E+00
  92   -0.610980E-04    0.560417E+02  0.109022E-05 0.100000E-04    0.994373E+00
  93   -0.412393E-05    0.525781E+02  0.784344E-07 0.100000E-04    0.900829E+00
  94    0.574239E-04    0.523128E+02 -0.109770E-05 0.100000E-04    0.996237E+00
  95   -0.119133E-04    0.500128E+02  0.238206E-06 0.100000E-04    0.974888E+00
  96   -0.507410E-05    0.470425E+02  0.107862E-06 0.100000E-04    0.910994E+00
  97    0.427015E-04    0.429206E+02 -0.994895E-06 0.100000E-04    0.983635E+00
  98    0.557686E-04    0.406265E+02 -0.137272E-05 0.100000E-04    0.993226E+00
  99    0.121237E-03    0.377576E+02 -0.321093E-05 0.100000E-04    0.995128E+00
 100   -0.816998E-04    0.363812E+02  0.224566E-05 0.100000E-04    0.998313E+00
 101   -0.262190E-04    0.335264E+02  0.782040E-06 0.100000E-04    0.964354E+00
 102    0.109133E-03    0.287874E+02 -0.379099E-05 0.100000E-04    0.994623E+00
 103   -0.447860E-04    0.285388E+02  0.156930E-05 0.100000E-04    0.997673E+00
 104   -0.130877E-03    0.268027E+02  0.488299E-05 0.100000E-04    0.990103E+00
 105   -0.701538E-04    0.231634E+02  0.302865E-05 0.100000E-04    0.994170E+00
 106   -0.634520E-04    0.209958E+02  0.302213E-05 0.100000E-04    0.973882E+00
 107    0.486483E-04    0.205565E+02 -0.236656E-05 0.100000E-04    0.931574E+00
 108   -0.944854E-05    0.167341E+02  0.564626E-06 0.100000E-04    0.777472E+00
 109    0.712680E-04    0.138351E+02 -0.515124E-05 0.100000E-04    0.997905E+00
 110   -0.122720E-01    0.122387E+02  0.100000E-04 0.100000E-04    0.477498E+00
 111    0.602505E-03    0.100180E+02 -0.100000E-04 0.100000E-04    0.628865E+00
 112   -0.152891E-01    0.854039E+01  0.174483E-04 0.174483E-04    0.337173E+00
 113   -0.327783E-01    0.643573E+01  0.358918E-04 0.358918E-04    0.105238E+00
 114   -0.794962E+00    0.375160E+01 -0.400000E-03 0.400000E-03    0.157530E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2031540217    

 Beginning of optimization cycle  420.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3303678062
 potential> RMS force:                                               0.0746798233   |gradient|=.7973623174    
 Eigenvalues of the Hessian matrix:
   739.24886    674.28486    628.14847    603.06226    587.38873    575.33083 
   567.04009    485.32998    462.92399    460.73096    441.60689    429.05588 
   422.08205    408.49227    396.93108    388.55417    368.73516    361.00037 
   350.15282    335.08351    327.33135    321.60154    319.84814    310.86085 
   302.59261    289.49762    278.40253    271.42890    267.62018    264.68423 
   261.24306    253.85439    241.85357    239.43359    234.05978    227.99047 
   218.29660    214.43515    212.90136    207.17806    203.50502    196.73960 
   194.94628    191.37500    183.40757    174.26214    172.26273    167.73660 
   164.26789    157.98854    154.41428    151.85609    147.81373    143.45562 
   137.43978    135.93867    130.53393    128.45867    126.44592    125.15092 
   119.88536    118.13496    117.11079    110.56515    107.29786    104.52008 
   103.04345     99.68994     95.80123     93.88668     93.63384     90.84232 
    89.20736     85.25330     80.87977     80.01219     78.18468     73.03323 
    72.60762     68.20630     65.55754     62.62086     59.95579     59.42369 
    58.89603     56.04125     52.57693     52.31217     50.01272     47.03563 
    42.92240     40.62938     37.76065     36.38295     33.51372     28.78722 
    28.53754     26.79535     23.16547     20.99760     20.55123     16.73265 
    13.83572     12.23870     10.01932      8.53846      6.42699      3.74584 
overlap for current and previous eigenvector    109 is        -0.9999997991
overlap for current and previous eigenvector    110 is         0.9999996819
overlap for current and previous eigenvector    111 is         0.9999997428
overlap for current and previous eigenvector    112 is         0.9999986243
overlap for current and previous eigenvector    113 is         0.9999985169
overlap for current and previous eigenvector    114 is         0.9999996628
J1,K1,R1,R2,RAT=   7   7   -0.4117535957E-02     2.003937190        0.9958824640    
FOB,PFOB,DIAG,PSTEP=   -0.7224501892E-05   -0.7194874068E-05     739.2488640        0.9733559642E-08
J1,K1,R1,R2,RAT=   8   8   -0.1061323690E-01     2.010594008        0.9893867631    
FOB,PFOB,DIAG,PSTEP=   -0.6831996122E-05   -0.6760247325E-05     674.2848601        0.1002589962E-07
J1,K1,R1,R2,RAT=   9   9   -0.2095272992E-01     2.020904978        0.9790472701    
FOB,PFOB,DIAG,PSTEP=   -0.2086638512E-05   -0.2043814007E-05     628.1484745        0.3253789333E-08
J1,K1,R1,R2,RAT=  10  10    0.1675003511E-01     1.983304241        0.9832499649    
FOB,PFOB,DIAG,PSTEP=    0.2779689206E-05    0.2827040956E-05     603.0622587       -0.4687682238E-08
J1,K1,R1,R2,RAT=  11  11   -0.5154249463E-02     2.005185605        0.9948457505    
FOB,PFOB,DIAG,PSTEP=   -0.1966968603E-05   -0.1956882500E-05     587.3887302        0.3331442571E-08
J1,K1,R1,R2,RAT= 109 109     1.996275347        0.3638121375E-02    0.9962753466    
FOB,PFOB,DIAG,PSTEP=   -0.7100873978E-04    0.7126803276E-04     13.83572308       -0.5151239002E-05
J1,K1,R1,R2,RAT= 110 110   -0.5021722993         201.0467597        0.4978277007    
FOB,PFOB,DIAG,PSTEP=   -0.1233348462E-01   -0.1227202526E-01     12.23870005        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3763452672         11.65051386        0.6236547328    
FOB,PFOB,DIAG,PSTEP=    0.5647976357E-03    0.6025048805E-03     10.01932215       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8656316503         206.1128961        0.1343683497    
FOB,PFOB,DIAG,PSTEP=   -0.1541802043E-01   -0.1528905704E-01     8.538464009        0.1744831797E-04
J1,K1,R1,R2,RAT= 113 113   -0.7989099533         284.9915944        0.2010900467    
FOB,PFOB,DIAG,PSTEP=   -0.3296255582E-01   -0.3277826619E-01     6.426987166        0.3589183366E-04
J1,K1,R1,R2,RAT= 114 114    0.9837759661        -1062.110989        0.1622403386E-01
FOB,PFOB,DIAG,PSTEP=   -0.7964357153       -0.7949616900         3.745835937       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00002      0.00002 
    -0.00002     -0.00001     -0.00002     -0.00003     -0.00001      0.00003 
     0.00004      0.00002     -0.00002      0.00004     -0.00002      0.00001 
     0.00001     -0.00001      0.00001      0.00003      0.00001     -0.00008 
    -0.00003     -0.00002      0.00008      0.00003      0.00004     -0.00001 
     0.00001     -0.00002      0.00003      0.00002     -0.00001      0.00006 
     0.00003     -0.00002     -0.00005      0.00001      0.00001      0.00006 
     0.00005     -0.00006      0.00000     -0.00006     -0.00001     -0.00001 
    -0.00004     -0.00006     -0.00012      0.00008     -0.00003     -0.00011 
     0.00005     -0.00013      0.00007      0.00006     -0.00005      0.00001 
    -0.00007     -0.01233      0.00056     -0.01542     -0.03296     -0.79644 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4083902324
 Log product of positive Hessian eigenvalues =          519.4459745698
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7458359375
 Unscaled step for mode    7=        0.0000000098
 Unscaled step for mode    8=        0.0000000101
 Unscaled step for mode    9=        0.0000000033
 Unscaled step for mode   10=       -0.0000000046
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000115
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000057
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000098
 Unscaled step for mode   18=       -0.0000000105
 Unscaled step for mode   19=        0.0000000460
 Unscaled step for mode   20=       -0.0000000119
 Unscaled step for mode   21=       -0.0000000132
 Unscaled step for mode   22=        0.0000000288
 Unscaled step for mode   23=       -0.0000000050
 Unscaled step for mode   24=        0.0000000152
 Unscaled step for mode   25=        0.0000000671
 Unscaled step for mode   26=        0.0000001080
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000380
 Unscaled step for mode   29=       -0.0000000862
 Unscaled step for mode   30=        0.0000000784
 Unscaled step for mode   31=        0.0000000733
 Unscaled step for mode   32=        0.0000000356
 Unscaled step for mode   33=       -0.0000000533
 Unscaled step for mode   34=        0.0000000627
 Unscaled step for mode   35=       -0.0000000940
 Unscaled step for mode   36=       -0.0000000886
 Unscaled step for mode   37=        0.0000000810
 Unscaled step for mode   38=       -0.0000000159
 Unscaled step for mode   39=        0.0000000902
 Unscaled step for mode   40=        0.0000001103
 Unscaled step for mode   41=        0.0000002019
 Unscaled step for mode   42=        0.0000000842
 Unscaled step for mode   43=        0.0000000923
 Unscaled step for mode   44=        0.0000001773
 Unscaled step for mode   45=       -0.0000000170
 Unscaled step for mode   46=       -0.0000001618
 Unscaled step for mode   47=        0.0000001378
 Unscaled step for mode   48=       -0.0000000340
 Unscaled step for mode   49=       -0.0000001567
 Unscaled step for mode   50=       -0.0000000403
 Unscaled step for mode   51=        0.0000001005
 Unscaled step for mode   52=        0.0000000396
 Unscaled step for mode   53=       -0.0000000874
 Unscaled step for mode   54=       -0.0000001396
 Unscaled step for mode   55=        0.0000001385
 Unscaled step for mode   56=        0.0000000437
 Unscaled step for mode   57=        0.0000000975
 Unscaled step for mode   58=        0.0000001787
 Unscaled step for mode   59=        0.0000000408
 Unscaled step for mode   60=       -0.0000001749
 Unscaled step for mode   61=       -0.0000002567
 Unscaled step for mode   62=       -0.0000001797
 Unscaled step for mode   63=        0.0000001438
 Unscaled step for mode   64=       -0.0000003017
 Unscaled step for mode   65=        0.0000001914
 Unscaled step for mode   66=       -0.0000000948
 Unscaled step for mode   67=       -0.0000001182
 Unscaled step for mode   68=        0.0000000752
 Unscaled step for mode   69=       -0.0000000688
 Unscaled step for mode   70=       -0.0000002888
 Unscaled step for mode   71=       -0.0000000668
 Unscaled step for mode   72=        0.0000007415
 Unscaled step for mode   73=        0.0000002901
 Unscaled step for mode   74=        0.0000002387
 Unscaled step for mode   75=       -0.0000008731
 Unscaled step for mode   76=       -0.0000003489
 Unscaled step for mode   77=       -0.0000003880
 Unscaled step for mode   78=        0.0000001509
 Unscaled step for mode   79=       -0.0000000777
 Unscaled step for mode   80=        0.0000002487
 Unscaled step for mode   81=       -0.0000003405
 Unscaled step for mode   82=       -0.0000001949
 Unscaled step for mode   83=        0.0000001888
 Unscaled step for mode   84=       -0.0000007742
 Unscaled step for mode   85=       -0.0000004093
 Unscaled step for mode   86=        0.0000002694
 Unscaled step for mode   87=        0.0000006974
 Unscaled step for mode   88=       -0.0000002288
 Unscaled step for mode   89=       -0.0000001254
 Unscaled step for mode   90=       -0.0000009457
 Unscaled step for mode   91=       -0.0000007755
 Unscaled step for mode   92=        0.0000010947
 Unscaled step for mode   93=       -0.0000000895
 Unscaled step for mode   94=        0.0000010940
 Unscaled step for mode   95=        0.0000002272
 Unscaled step for mode   96=        0.0000001096
 Unscaled step for mode   97=        0.0000009822
 Unscaled step for mode   98=        0.0000013706
 Unscaled step for mode   99=        0.0000031941
 Unscaled step for mode  100=       -0.0000022454
 Unscaled step for mode  101=        0.0000007631
 Unscaled step for mode  102=        0.0000037834
 Unscaled step for mode  103=       -0.0000015782
 Unscaled step for mode  104=        0.0000048721
 Unscaled step for mode  105=       -0.0000030389
 Unscaled step for mode  106=       -0.0000030059
 Unscaled step for mode  107=        0.0000024365
 Unscaled step for mode  108=       -0.0000005000
 Unscaled step for mode  109=        0.0000051323
 Unscaled step for mode  110=        0.0010077436
 Unscaled step for mode  111=       -0.0000563708
 Unscaled step for mode  112=        0.0018057077
 Unscaled step for mode  113=        0.0051286377
 Unscaled step for mode  114=       -0.2037889054
 Largest modulus ratio of non-zero e/values=           197.3521735    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.316370E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.183425E-14    0.100688E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.313219E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.104929E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.136393E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.279927E-15    0.974047E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.722450E-05    0.739249E+03  0.977276E-08 0.100000E-04    0.995882E+00
   8   -0.683200E-05    0.674285E+03  0.101322E-07 0.100000E-04    0.989387E+00
   9   -0.208664E-05    0.628148E+03  0.332189E-08 0.100000E-04    0.979047E+00
  10    0.277969E-05    0.603062E+03 -0.460929E-08 0.100000E-04    0.983250E+00
  11   -0.196697E-05    0.587389E+03  0.334867E-08 0.100000E-04    0.994846E+00
  12   -0.662126E-05    0.575331E+03  0.115086E-07 0.100000E-04    0.983466E+00
  13   -0.357892E-05    0.567040E+03  0.631158E-08 0.100000E-04    0.988594E+00
  14    0.275944E-05    0.485330E+03 -0.568570E-08 0.100000E-04    0.968289E+00
  15    0.205880E-05    0.462924E+03 -0.444739E-08 0.100000E-04    0.981297E+00
  16    0.738103E-05    0.460731E+03 -0.160203E-07 0.100000E-04    0.997221E+00
  17    0.431110E-05    0.441607E+03 -0.976230E-08 0.100000E-04    0.986171E+00
  18    0.451932E-05    0.429056E+03 -0.105332E-07 0.100000E-04    0.999248E+00
  19   -0.194212E-04    0.422082E+03  0.460129E-07 0.100000E-04    0.999950E+00
  20    0.485787E-05    0.408492E+03 -0.118922E-07 0.100000E-04    0.988860E+00
  21    0.525475E-05    0.396931E+03 -0.132384E-07 0.100000E-04    0.989737E+00
  22   -0.111836E-04    0.388554E+03  0.287826E-07 0.100000E-04    0.998387E+00
  23    0.185461E-05    0.368735E+03 -0.502964E-08 0.100000E-04    0.958158E+00
  24   -0.547778E-05    0.361000E+03  0.151739E-07 0.100000E-04    0.992040E+00
  25   -0.234854E-04    0.350153E+03  0.670718E-07 0.100000E-04    0.998293E+00
  26   -0.361971E-04    0.335084E+03  0.108024E-06 0.100000E-04    0.999501E+00
  27   -0.176920E-04    0.327331E+03  0.540492E-07 0.100000E-04    0.998855E+00
  28    0.122264E-04    0.321602E+03 -0.380172E-07 0.100000E-04    0.995910E+00
  29    0.275826E-04    0.319848E+03 -0.862366E-07 0.100000E-04    0.996212E+00
  30   -0.243861E-04    0.310861E+03  0.784471E-07 0.100000E-04    0.997739E+00
  31   -0.221694E-04    0.302593E+03  0.732648E-07 0.100000E-04    0.992437E+00
  32   -0.103145E-04    0.289498E+03  0.356289E-07 0.100000E-04    0.996875E+00
  33    0.148314E-04    0.278403E+03 -0.532733E-07 0.100000E-04    0.996180E+00
  34   -0.170078E-04    0.271429E+03  0.626603E-07 0.100000E-04    0.998301E+00
  35    0.251538E-04    0.267620E+03 -0.939907E-07 0.100000E-04    0.996724E+00
  36    0.234386E-04    0.264684E+03 -0.885531E-07 0.100000E-04    0.996516E+00
  37   -0.211488E-04    0.261243E+03  0.809546E-07 0.100000E-04    0.999862E+00
  38    0.403168E-05    0.253854E+03 -0.158819E-07 0.100000E-04    0.985022E+00
  39   -0.218093E-04    0.241854E+03  0.901755E-07 0.100000E-04    0.999764E+00
  40   -0.263989E-04    0.239434E+03  0.110256E-06 0.100000E-04    0.994177E+00
  41   -0.472503E-04    0.234060E+03  0.201873E-06 0.100000E-04    0.997884E+00
  42   -0.191927E-04    0.227990E+03  0.841819E-07 0.100000E-04    0.993105E+00
  43   -0.201422E-04    0.218297E+03  0.922697E-07 0.100000E-04    0.994260E+00
  44   -0.380156E-04    0.214435E+03  0.177283E-06 0.100000E-04    0.993859E+00
  45    0.362715E-05    0.212901E+03 -0.170367E-07 0.100000E-04    0.996898E+00
  46    0.335115E-04    0.207178E+03 -0.161752E-06 0.100000E-04    0.996590E+00
  47   -0.280356E-04    0.203505E+03  0.137763E-06 0.100000E-04    0.999943E+00
  48    0.668517E-05    0.196740E+03 -0.339798E-07 0.100000E-04    0.994856E+00
  49    0.305470E-04    0.194946E+03 -0.156694E-06 0.100000E-04    0.994711E+00
  50    0.770962E-05    0.191375E+03 -0.402854E-07 0.100000E-04    0.963902E+00
  51   -0.184282E-04    0.183408E+03  0.100477E-06 0.100000E-04    0.996223E+00
  52   -0.690848E-05    0.174262E+03  0.396442E-07 0.100000E-04    0.989685E+00
  53    0.150593E-04    0.172263E+03 -0.874203E-07 0.100000E-04    0.999729E+00
  54    0.234151E-04    0.167737E+03 -0.139594E-06 0.100000E-04    0.994552E+00
  55   -0.227567E-04    0.164268E+03  0.138534E-06 0.100000E-04    0.998547E+00
  56   -0.690948E-05    0.157989E+03  0.437341E-07 0.100000E-04    0.991858E+00
  57   -0.150520E-04    0.154414E+03  0.974777E-07 0.100000E-04    0.997713E+00
  58   -0.271386E-04    0.151856E+03  0.178712E-06 0.100000E-04    0.998926E+00
  59   -0.603530E-05    0.147814E+03  0.408305E-07 0.100000E-04    0.997855E+00
  60    0.250975E-04    0.143456E+03 -0.174950E-06 0.100000E-04    0.997961E+00
  61    0.352783E-04    0.137440E+03 -0.256682E-06 0.100000E-04    0.995936E+00
  62    0.244306E-04    0.135939E+03 -0.179718E-06 0.100000E-04    0.996598E+00
  63   -0.187692E-04    0.130534E+03  0.143788E-06 0.100000E-04    0.984452E+00
  64    0.387532E-04    0.128459E+03 -0.301678E-06 0.100000E-04    0.997084E+00
  65   -0.241959E-04    0.126446E+03  0.191354E-06 0.100000E-04    0.994349E+00
  66    0.118646E-04    0.125151E+03 -0.948022E-07 0.100000E-04    0.985275E+00
  67    0.141667E-04    0.119885E+03 -0.118169E-06 0.100000E-04    0.987365E+00
  68   -0.888365E-05    0.118135E+03  0.751992E-07 0.100000E-04    0.996949E+00
  69    0.805634E-05    0.117111E+03 -0.687925E-07 0.100000E-04    0.993778E+00
  70    0.319361E-04    0.110565E+03 -0.288844E-06 0.100000E-04    0.992535E+00
  71    0.716433E-05    0.107298E+03 -0.667705E-07 0.100000E-04    0.997968E+00
  72   -0.775034E-04    0.104520E+03  0.741517E-06 0.100000E-04    0.999535E+00
  73   -0.298961E-04    0.103043E+03  0.290131E-06 0.100000E-04    0.998991E+00
  74   -0.237916E-04    0.996899E+02  0.238656E-06 0.100000E-04    0.991476E+00
  75    0.836406E-04    0.958012E+02 -0.873064E-06 0.100000E-04    0.999976E+00
  76    0.327586E-04    0.938867E+02 -0.348916E-06 0.100000E-04    0.982605E+00
  77    0.363318E-04    0.936338E+02 -0.388020E-06 0.100000E-04    0.990948E+00
  78   -0.137114E-04    0.908423E+02  0.150937E-06 0.100000E-04    0.975288E+00
  79    0.692868E-05    0.892074E+02 -0.776694E-07 0.100000E-04    0.985241E+00
  80   -0.212054E-04    0.852533E+02  0.248734E-06 0.100000E-04    0.997394E+00
  81    0.275435E-04    0.808798E+02 -0.340549E-06 0.100000E-04    0.997422E+00
  82    0.155913E-04    0.800122E+02 -0.194861E-06 0.100000E-04    0.980654E+00
  83   -0.147632E-04    0.781847E+02  0.188825E-06 0.100000E-04    0.986951E+00
  84    0.565398E-04    0.730332E+02 -0.774165E-06 0.100000E-04    0.997788E+00
  85    0.297198E-04    0.726076E+02 -0.409321E-06 0.100000E-04    0.981065E+00
  86   -0.183739E-04    0.682063E+02  0.269387E-06 0.100000E-04    0.995325E+00
  87   -0.457223E-04    0.655575E+02  0.697438E-06 0.100000E-04    0.999853E+00
  88    0.143288E-04    0.626209E+02 -0.228818E-06 0.100000E-04    0.999374E+00
  89    0.751970E-05    0.599558E+02 -0.125421E-06 0.100000E-04    0.966511E+00
  90    0.561974E-04    0.594237E+02 -0.945707E-06 0.100000E-04    0.993400E+00
  91    0.456717E-04    0.588960E+02 -0.775463E-06 0.100000E-04    0.992805E+00
  92   -0.613472E-04    0.560412E+02  0.109468E-05 0.100000E-04    0.995921E+00
  93    0.470449E-05    0.525769E+02 -0.894783E-07 0.100000E-04    0.859219E+00
  94   -0.572282E-04    0.523122E+02  0.109398E-05 0.100000E-04    0.996593E+00
  95   -0.113633E-04    0.500127E+02  0.227209E-06 0.100000E-04    0.953834E+00
  96   -0.515365E-05    0.470356E+02  0.109569E-06 0.100000E-04    0.984320E+00
  97   -0.421597E-04    0.429224E+02  0.982231E-06 0.100000E-04    0.987228E+00
  98   -0.556861E-04    0.406294E+02  0.137059E-05 0.100000E-04    0.998378E+00
  99   -0.120612E-03    0.377606E+02  0.319412E-05 0.100000E-04    0.994685E+00
 100    0.816935E-04    0.363830E+02 -0.224538E-05 0.100000E-04    0.999829E+00
 101   -0.255746E-04    0.335137E+02  0.763109E-06 0.100000E-04    0.975413E+00
 102   -0.108915E-03    0.287872E+02  0.378345E-05 0.100000E-04    0.998006E+00
 103    0.450371E-04    0.285375E+02 -0.157817E-05 0.100000E-04    0.994394E+00
 104   -0.130549E-03    0.267953E+02  0.487209E-05 0.100000E-04    0.997492E+00
 105    0.703965E-04    0.231655E+02 -0.303885E-05 0.100000E-04    0.996541E+00
 106    0.631172E-04    0.209976E+02 -0.300593E-05 0.100000E-04    0.994552E+00
 107   -0.500741E-04    0.205512E+02  0.243655E-05 0.100000E-04    0.970685E+00
 108    0.836654E-05    0.167327E+02 -0.500013E-06 0.100000E-04    0.885474E+00
 109   -0.710087E-04    0.138357E+02  0.513228E-05 0.100000E-04    0.996275E+00
 110   -0.123335E-01    0.122387E+02  0.100000E-04 0.100000E-04    0.497828E+00
 111    0.564798E-03    0.100193E+02 -0.100000E-04 0.100000E-04    0.623655E+00
 112   -0.154180E-01    0.853846E+01  0.190187E-04 0.190187E-04    0.134368E+00
 113   -0.329626E-01    0.642699E+01  0.323350E-04 0.323350E-04    0.201090E+00
 114   -0.796436E+00    0.374584E+01 -0.400000E-03 0.400000E-03    0.162240E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2037889054    

 Beginning of optimization cycle  421.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3300504162
 potential> RMS force:                                               0.0748185928   |gradient|=.7988439703    
 Eigenvalues of the Hessian matrix:
   739.31539    674.29170    628.16339    603.04558    587.37977    575.37205 
   567.03669    485.35710    462.90077    460.72481    441.61012    429.04985 
   422.08319    408.49553    396.92610    388.54871    368.74643    360.99281 
   350.14465    335.07810    327.34915    321.60594    319.83613    310.84546 
   302.57464    289.50859    278.39972    271.44005    267.62755    264.68672 
   261.26539    253.85093    241.84856    239.44657    234.05139    227.98296 
   218.27640    214.44187    212.90807    207.17936    203.50257    196.72919 
   194.94247    191.37328    183.39839    174.25568    172.26558    167.73985 
   164.25836    157.97669    154.41890    151.86184    147.80354    143.45737 
   137.44435    135.93866    130.53267    128.46278    126.45039    125.14462 
   119.88670    118.13553    117.11118    110.56093    107.29308    104.51788 
   103.04195     99.68915     95.80347     93.89450     93.61704     90.84579 
    89.20097     85.25619     80.87921     80.01449     78.18339     73.03712 
    72.61136     68.20521     65.54845     62.61083     59.95657     59.42144 
    58.89023     56.04088     52.57588     52.31162     50.01260     47.02883 
    42.92419     40.63229     37.76374     36.38488     33.50109     28.78710 
    28.53625     26.78799     23.16748     20.99964     20.54575     16.73117 
    13.83632     12.23874     10.02059      8.53649      6.41825      3.74007 
overlap for current and previous eigenvector    109 is         0.9999998034
overlap for current and previous eigenvector    110 is         0.9999996865
overlap for current and previous eigenvector    111 is         0.9999997553
overlap for current and previous eigenvector    112 is         0.9999986474
overlap for current and previous eigenvector    113 is         0.9999985385
overlap for current and previous eigenvector    114 is         0.9999996755
J1,K1,R1,R2,RAT=   7   7   -0.5731773891E-02     2.005551812        0.9942682261    
FOB,PFOB,DIAG,PSTEP=   -0.7265914830E-05   -0.7224501892E-05     739.3153883        0.9772760222E-08
J1,K1,R1,R2,RAT=   8   8    0.5315377664E-02     1.994664327        0.9946643273    
FOB,PFOB,DIAG,PSTEP=   -0.6795681113E-05   -0.6831996122E-05     674.2917025        0.1013221047E-07
J1,K1,R1,R2,RAT=   9   9    0.7880363864E-02     1.992072134        0.9920721341    
FOB,PFOB,DIAG,PSTEP=   -0.2070194651E-05   -0.2086638512E-05     628.1633940        0.3321887415E-08
J1,K1,R1,R2,RAT=  10  10   -0.2729446494E-01     2.027349792        0.9727055351    
FOB,PFOB,DIAG,PSTEP=    0.2855557237E-05    0.2779689206E-05     603.0455762       -0.4609290610E-08
J1,K1,R1,R2,RAT=  11  11   -0.1317499171E-01     2.013205500        0.9868250083    
FOB,PFOB,DIAG,PSTEP=   -0.1992883003E-05   -0.1966968603E-05     587.3797702        0.3348665886E-08
J1,K1,R1,R2,RAT= 109 109    0.2718485421E-02     1.997194521        0.9971945213    
FOB,PFOB,DIAG,PSTEP=   -0.7081569516E-04   -0.7100873978E-04     13.83632492        0.5132275295E-05
J1,K1,R1,R2,RAT= 110 110   -0.5258410306         202.0741919        0.4741589694    
FOB,PFOB,DIAG,PSTEP=   -0.1239784091E-01   -0.1233348462E-01     12.23873533        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3757881474         10.89695338        0.6242118526    
FOB,PFOB,DIAG,PSTEP=    0.5271414442E-03    0.5647976357E-03     10.02059055       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.6844872909         190.6169216        0.3155127091    
FOB,PFOB,DIAG,PSTEP=   -0.1552914878E-01   -0.1541802043E-01     8.536491517        0.1901866659E-04
J1,K1,R1,R2,RAT= 113 113   -0.9154723020         318.5749439        0.8452769796E-01
FOB,PFOB,DIAG,PSTEP=   -0.3315254737E-01   -0.3296255582E-01     6.418246568        0.3233498528E-04
J1,K1,R1,R2,RAT= 114 114    0.9841898218        -1065.718332        0.1581017816E-01
FOB,PFOB,DIAG,PSTEP=   -0.7979080902       -0.7964357153         3.740068453       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00002      0.00002 
    -0.00002      0.00001      0.00002      0.00003      0.00001     -0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002      0.00001 
     0.00001     -0.00001      0.00001      0.00003      0.00001      0.00008 
     0.00003      0.00002      0.00008     -0.00003     -0.00004     -0.00001 
    -0.00001      0.00002     -0.00003     -0.00002      0.00001      0.00006 
     0.00003      0.00002      0.00005      0.00001      0.00001     -0.00006 
    -0.00005      0.00006     -0.00001      0.00006     -0.00001      0.00001 
     0.00004      0.00006      0.00012      0.00008     -0.00003      0.00011 
    -0.00005      0.00013     -0.00007     -0.00006      0.00005      0.00001 
    -0.00007     -0.01240      0.00053     -0.01553     -0.03315     -0.79791 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4081473074
 Log product of positive Hessian eigenvalues =          519.4415996799
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7400684528
 Unscaled step for mode    7=        0.0000000098
 Unscaled step for mode    8=        0.0000000101
 Unscaled step for mode    9=        0.0000000033
 Unscaled step for mode   10=       -0.0000000047
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000114
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000057
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000099
 Unscaled step for mode   18=       -0.0000000106
 Unscaled step for mode   19=        0.0000000462
 Unscaled step for mode   20=       -0.0000000119
 Unscaled step for mode   21=       -0.0000000133
 Unscaled step for mode   22=        0.0000000289
 Unscaled step for mode   23=       -0.0000000048
 Unscaled step for mode   24=        0.0000000153
 Unscaled step for mode   25=        0.0000000672
 Unscaled step for mode   26=        0.0000001082
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000380
 Unscaled step for mode   29=       -0.0000000870
 Unscaled step for mode   30=        0.0000000780
 Unscaled step for mode   31=        0.0000000732
 Unscaled step for mode   32=        0.0000000357
 Unscaled step for mode   33=       -0.0000000537
 Unscaled step for mode   34=        0.0000000631
 Unscaled step for mode   35=       -0.0000000937
 Unscaled step for mode   36=       -0.0000000885
 Unscaled step for mode   37=        0.0000000811
 Unscaled step for mode   38=       -0.0000000161
 Unscaled step for mode   39=        0.0000000904
 Unscaled step for mode   40=        0.0000001109
 Unscaled step for mode   41=        0.0000002020
 Unscaled step for mode   42=        0.0000000841
 Unscaled step for mode   43=        0.0000000920
 Unscaled step for mode   44=        0.0000001774
 Unscaled step for mode   45=       -0.0000000179
 Unscaled step for mode   46=       -0.0000001620
 Unscaled step for mode   47=        0.0000001372
 Unscaled step for mode   48=       -0.0000000344
 Unscaled step for mode   49=       -0.0000001563
 Unscaled step for mode   50=       -0.0000000419
 Unscaled step for mode   51=        0.0000001003
 Unscaled step for mode   52=        0.0000000399
 Unscaled step for mode   53=       -0.0000000878
 Unscaled step for mode   54=       -0.0000001396
 Unscaled step for mode   55=        0.0000001386
 Unscaled step for mode   56=       -0.0000000440
 Unscaled step for mode   57=       -0.0000000982
 Unscaled step for mode   58=       -0.0000001788
 Unscaled step for mode   59=       -0.0000000415
 Unscaled step for mode   60=        0.0000001750
 Unscaled step for mode   61=        0.0000002590
 Unscaled step for mode   62=        0.0000001793
 Unscaled step for mode   63=       -0.0000001452
 Unscaled step for mode   64=        0.0000003030
 Unscaled step for mode   65=       -0.0000001930
 Unscaled step for mode   66=       -0.0000000948
 Unscaled step for mode   67=       -0.0000001177
 Unscaled step for mode   68=        0.0000000754
 Unscaled step for mode   69=       -0.0000000698
 Unscaled step for mode   70=       -0.0000002872
 Unscaled step for mode   71=       -0.0000000665
 Unscaled step for mode   72=       -0.0000007453
 Unscaled step for mode   73=       -0.0000002904
 Unscaled step for mode   74=       -0.0000002393
 Unscaled step for mode   75=       -0.0000008737
 Unscaled step for mode   76=        0.0000003452
 Unscaled step for mode   77=        0.0000003934
 Unscaled step for mode   78=        0.0000001505
 Unscaled step for mode   79=        0.0000000781
 Unscaled step for mode   80=       -0.0000002475
 Unscaled step for mode   81=        0.0000003410
 Unscaled step for mode   82=        0.0000001942
 Unscaled step for mode   83=       -0.0000001861
 Unscaled step for mode   84=       -0.0000007811
 Unscaled step for mode   85=       -0.0000004107
 Unscaled step for mode   86=       -0.0000002728
 Unscaled step for mode   87=       -0.0000007008
 Unscaled step for mode   88=       -0.0000002313
 Unscaled step for mode   89=       -0.0000001193
 Unscaled step for mode   90=        0.0000009423
 Unscaled step for mode   91=        0.0000007911
 Unscaled step for mode   92=       -0.0000010887
 Unscaled step for mode   93=        0.0000000966
 Unscaled step for mode   94=       -0.0000010979
 Unscaled step for mode   95=        0.0000002330
 Unscaled step for mode   96=       -0.0000001180
 Unscaled step for mode   97=       -0.0000009982
 Unscaled step for mode   98=       -0.0000013796
 Unscaled step for mode   99=       -0.0000032089
 Unscaled step for mode  100=       -0.0000022413
 Unscaled step for mode  101=        0.0000007898
 Unscaled step for mode  102=       -0.0000038028
 Unscaled step for mode  103=        0.0000015811
 Unscaled step for mode  104=       -0.0000049190
 Unscaled step for mode  105=        0.0000030544
 Unscaled step for mode  106=        0.0000030725
 Unscaled step for mode  107=       -0.0000022680
 Unscaled step for mode  108=       -0.0000006039
 Unscaled step for mode  109=        0.0000051181
 Unscaled step for mode  110=        0.0010129991
 Unscaled step for mode  111=       -0.0000526058
 Unscaled step for mode  112=        0.0018191428
 Unscaled step for mode  113=        0.0051652211
 Unscaled step for mode  114=       -0.2044250866
 Largest modulus ratio of non-zero e/values=           197.6742933    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.109548E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.112313E-14    0.100688E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.133357E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.950357E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.173831E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.232006E-15    0.974048E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.726591E-05    0.739315E+03  0.982790E-08 0.100000E-04    0.994268E+00
   8   -0.679568E-05    0.674292E+03  0.100783E-07 0.100000E-04    0.994664E+00
   9   -0.207019E-05    0.628163E+03  0.329563E-08 0.100000E-04    0.992072E+00
  10    0.285556E-05    0.603046E+03 -0.473523E-08 0.100000E-04    0.972706E+00
  11   -0.199288E-05    0.587380E+03  0.339284E-08 0.100000E-04    0.986825E+00
  12   -0.657513E-05    0.575372E+03  0.114276E-07 0.100000E-04    0.992890E+00
  13   -0.354510E-05    0.567037E+03  0.625198E-08 0.100000E-04    0.990552E+00
  14    0.275946E-05    0.485357E+03 -0.568541E-08 0.100000E-04    0.999894E+00
  15    0.205456E-05    0.462901E+03 -0.443844E-08 0.100000E-04    0.997936E+00
  16    0.743012E-05    0.460725E+03 -0.161270E-07 0.100000E-04    0.993349E+00
  17    0.437766E-05    0.441610E+03 -0.991296E-08 0.100000E-04    0.984559E+00
  18    0.453181E-05    0.429050E+03 -0.105624E-07 0.100000E-04    0.997235E+00
  19   -0.194994E-04    0.422083E+03  0.461980E-07 0.100000E-04    0.995975E+00
  20    0.487329E-05    0.408496E+03 -0.119299E-07 0.100000E-04    0.996826E+00
  21    0.527199E-05    0.396926E+03 -0.132820E-07 0.100000E-04    0.996719E+00
  22   -0.112251E-04    0.388549E+03  0.288899E-07 0.100000E-04    0.996286E+00
  23    0.176938E-05    0.368746E+03 -0.479836E-08 0.100000E-04    0.953986E+00
  24   -0.550605E-05    0.360993E+03  0.152525E-07 0.100000E-04    0.994838E+00
  25   -0.235338E-04    0.350145E+03  0.672117E-07 0.100000E-04    0.997937E+00
  26   -0.362696E-04    0.335078E+03  0.108242E-06 0.100000E-04    0.997996E+00
  27   -0.176966E-04    0.327349E+03  0.540602E-07 0.100000E-04    0.999742E+00
  28    0.122167E-04    0.321606E+03 -0.379865E-07 0.100000E-04    0.999177E+00
  29    0.278302E-04    0.319836E+03 -0.870139E-07 0.100000E-04    0.991025E+00
  30   -0.242390E-04    0.310845E+03  0.779775E-07 0.100000E-04    0.993964E+00
  31   -0.221417E-04    0.302575E+03  0.731777E-07 0.100000E-04    0.998752E+00
  32   -0.103458E-04    0.289509E+03  0.357358E-07 0.100000E-04    0.996962E+00
  33    0.149449E-04    0.278400E+03 -0.536813E-07 0.100000E-04    0.992351E+00
  34   -0.171366E-04    0.271440E+03  0.631322E-07 0.100000E-04    0.992428E+00
  35    0.250725E-04    0.267628E+03 -0.936843E-07 0.100000E-04    0.996713E+00
  36    0.234284E-04    0.264687E+03 -0.885139E-07 0.100000E-04    0.999547E+00
  37   -0.211852E-04    0.261265E+03  0.810870E-07 0.100000E-04    0.998279E+00
  38    0.408136E-05    0.253851E+03 -0.160778E-07 0.100000E-04    0.987678E+00
  39   -0.218654E-04    0.241849E+03  0.904095E-07 0.100000E-04    0.997426E+00
  40   -0.265494E-04    0.239447E+03  0.110878E-06 0.100000E-04    0.994300E+00
  41   -0.472670E-04    0.234051E+03  0.201951E-06 0.100000E-04    0.999647E+00
  42   -0.191734E-04    0.227983E+03  0.841002E-07 0.100000E-04    0.998997E+00
  43   -0.200734E-04    0.218276E+03  0.919633E-07 0.100000E-04    0.996588E+00
  44   -0.380386E-04    0.214442E+03  0.177384E-06 0.100000E-04    0.999395E+00
  45    0.381054E-05    0.212908E+03 -0.178976E-07 0.100000E-04    0.949439E+00
  46    0.335588E-04    0.207179E+03 -0.161980E-06 0.100000E-04    0.998588E+00
  47   -0.279116E-04    0.203503E+03  0.137156E-06 0.100000E-04    0.995580E+00
  48    0.677287E-05    0.196729E+03 -0.344274E-07 0.100000E-04    0.986880E+00
  49    0.304744E-04    0.194942E+03 -0.156325E-06 0.100000E-04    0.997622E+00
  50    0.801641E-05    0.191373E+03 -0.418888E-07 0.100000E-04    0.960207E+00
  51   -0.183942E-04    0.183398E+03  0.100296E-06 0.100000E-04    0.998152E+00
  52   -0.695354E-05    0.174256E+03  0.399042E-07 0.100000E-04    0.993478E+00
  53    0.151179E-04    0.172266E+03 -0.877595E-07 0.100000E-04    0.996103E+00
  54    0.234173E-04    0.167740E+03 -0.139605E-06 0.100000E-04    0.999905E+00
  55   -0.227737E-04    0.164258E+03  0.138646E-06 0.100000E-04    0.999252E+00
  56    0.694640E-05    0.157977E+03 -0.439710E-07 0.100000E-04    0.994657E+00
  57    0.151661E-04    0.154419E+03 -0.982140E-07 0.100000E-04    0.992417E+00
  58    0.271467E-04    0.151862E+03 -0.178759E-06 0.100000E-04    0.999700E+00
  59    0.612672E-05    0.147804E+03 -0.414517E-07 0.100000E-04    0.984853E+00
  60   -0.251087E-04    0.143457E+03  0.175026E-06 0.100000E-04    0.999553E+00
  61   -0.355967E-04    0.137444E+03  0.258990E-06 0.100000E-04    0.990974E+00
  62   -0.243767E-04    0.135939E+03  0.179321E-06 0.100000E-04    0.997794E+00
  63    0.189566E-04    0.130533E+03 -0.145225E-06 0.100000E-04    0.990018E+00
  64   -0.389239E-04    0.128463E+03  0.302997E-06 0.100000E-04    0.995596E+00
  65    0.244109E-04    0.126450E+03 -0.193048E-06 0.100000E-04    0.991113E+00
  66    0.118645E-04    0.125145E+03 -0.948063E-07 0.100000E-04    0.999993E+00
  67    0.141118E-04    0.119887E+03 -0.117710E-06 0.100000E-04    0.996104E+00
  68   -0.890562E-05    0.118136E+03  0.753848E-07 0.100000E-04    0.997527E+00
  69    0.817919E-05    0.117111E+03 -0.698413E-07 0.100000E-04    0.984751E+00
  70    0.317575E-04    0.110561E+03 -0.287239E-06 0.100000E-04    0.994407E+00
  71    0.713264E-05    0.107293E+03 -0.664781E-07 0.100000E-04    0.995576E+00
  72    0.778965E-04    0.104518E+03 -0.745294E-06 0.100000E-04    0.994928E+00
  73    0.299203E-04    0.103042E+03 -0.290370E-06 0.100000E-04    0.999189E+00
  74    0.238555E-04    0.996892E+02 -0.239299E-06 0.100000E-04    0.997313E+00
  75    0.837018E-04    0.958035E+02 -0.873683E-06 0.100000E-04    0.999268E+00
  76   -0.324129E-04    0.938945E+02  0.345205E-06 0.100000E-04    0.989280E+00
  77   -0.368247E-04    0.936170E+02  0.393355E-06 0.100000E-04    0.986431E+00
  78   -0.136713E-04    0.908458E+02  0.150489E-06 0.100000E-04    0.996995E+00
  79   -0.696459E-05    0.892010E+02  0.780775E-07 0.100000E-04    0.994817E+00
  80    0.211011E-04    0.852562E+02 -0.247502E-06 0.100000E-04    0.995014E+00
  81   -0.275820E-04    0.808792E+02  0.341027E-06 0.100000E-04    0.998604E+00
  82   -0.155386E-04    0.800145E+02  0.194197E-06 0.100000E-04    0.996560E+00
  83    0.145494E-04    0.781834E+02 -0.186093E-06 0.100000E-04    0.985512E+00
  84    0.570513E-04    0.730371E+02 -0.781127E-06 0.100000E-04    0.990954E+00
  85    0.298238E-04    0.726114E+02 -0.410732E-06 0.100000E-04    0.996500E+00
  86    0.186033E-04    0.682052E+02 -0.272755E-06 0.100000E-04    0.987515E+00
  87    0.459366E-04    0.655485E+02 -0.700803E-06 0.100000E-04    0.995313E+00
  88    0.144834E-04    0.626108E+02 -0.231324E-06 0.100000E-04    0.989207E+00
  89    0.715074E-05    0.599566E+02 -0.119265E-06 0.100000E-04    0.950909E+00
  90   -0.559936E-04    0.594214E+02  0.942314E-06 0.100000E-04    0.996374E+00
  91   -0.465872E-04    0.588902E+02  0.791086E-06 0.100000E-04    0.979951E+00
  92    0.610109E-04    0.560409E+02 -0.108869E-05 0.100000E-04    0.994517E+00
  93   -0.507701E-05    0.525759E+02  0.965653E-07 0.100000E-04    0.920815E+00
  94    0.574353E-04    0.523116E+02 -0.109795E-05 0.100000E-04    0.996382E+00
  95   -0.116521E-04    0.500126E+02  0.232983E-06 0.100000E-04    0.974591E+00
  96    0.554848E-05    0.470288E+02 -0.117980E-06 0.100000E-04    0.923376E+00
  97    0.428456E-04    0.429242E+02 -0.998170E-06 0.100000E-04    0.983731E+00
  98    0.560555E-04    0.406323E+02 -0.137958E-05 0.100000E-04    0.993366E+00
  99    0.121181E-03    0.377637E+02 -0.320892E-05 0.100000E-04    0.995284E+00
 100    0.815511E-04    0.363849E+02 -0.224134E-05 0.100000E-04    0.998150E+00
 101   -0.264602E-04    0.335011E+02  0.789832E-06 0.100000E-04    0.965358E+00
 102    0.109472E-03    0.287871E+02 -0.380283E-05 0.100000E-04    0.994882E+00
 103   -0.451184E-04    0.285363E+02  0.158109E-05 0.100000E-04    0.998195E+00
 104    0.131769E-03    0.267880E+02 -0.491897E-05 0.100000E-04    0.990652E+00
 105   -0.707636E-04    0.231675E+02  0.305444E-05 0.100000E-04    0.994785E+00
 106   -0.645220E-04    0.209996E+02  0.307253E-05 0.100000E-04    0.977746E+00
 107    0.465987E-04    0.205457E+02 -0.226805E-05 0.100000E-04    0.930577E+00
 108    0.101041E-04    0.167312E+02 -0.603908E-06 0.100000E-04    0.792304E+00
 109   -0.708157E-04    0.138363E+02  0.511810E-05 0.100000E-04    0.997195E+00
 110   -0.123978E-01    0.122387E+02  0.100000E-04 0.100000E-04    0.474159E+00
 111    0.527141E-03    0.100206E+02 -0.100000E-04 0.100000E-04    0.624212E+00
 112   -0.155291E-01    0.853649E+01  0.171339E-04 0.171339E-04    0.315513E+00
 113   -0.331525E-01    0.641825E+01  0.352451E-04 0.352451E-04    0.845277E-01
 114   -0.797908E+00    0.374007E+01 -0.400000E-03 0.400000E-03    0.158102E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2044250866    

 Beginning of optimization cycle  422.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3297325130
 potential> RMS force:                                               0.0749570984   |gradient|=.8003228048    
 Eigenvalues of the Hessian matrix:
   739.38205    674.29819    628.17836    603.02911    587.37065    575.41349 
   567.03303    485.38410    462.87755    460.71866    441.61334    429.04410 
   422.08439    408.49876    396.92113    388.54330    368.75776    360.98530 
   350.13671    335.07295    327.36707    321.61028    319.82422    310.83020 
   302.55673    289.51963    278.39704    271.45137    267.63506    264.68921 
   261.28813    253.84751    241.84368    239.45965    234.04318    227.97556 
   218.25621    214.44864    212.91482    207.18078    203.50006    196.71874 
   194.93876    191.37153    183.38928    174.24932    172.26838    167.74321 
   164.24876    157.96477    154.42354    151.86758    147.79327    143.45903 
   137.44898    135.93863    130.53133    128.46692    126.45485    125.13821 
   119.88800    118.13606    117.11148    110.55672    107.28827    104.51561 
   103.04040     99.68833     95.80574     93.90222     93.60019     90.84929 
    89.19454     85.25911     80.87862     80.01686     78.18205     73.04096 
    72.61499     68.20400     65.53938     62.60069     59.95735     59.41920 
    58.88425     56.04043     52.57478     52.31099     50.01248     47.02192 
    42.92604     40.63518     37.76675     36.38658     33.48840     28.78696 
    28.53497     26.78063     23.16953     21.00171     20.54014     16.72964 
    13.83692     12.23877     10.02187      8.53457      6.40947      3.73430 
overlap for current and previous eigenvector    109 is        -0.9999997998
overlap for current and previous eigenvector    110 is         0.9999996844
overlap for current and previous eigenvector    111 is        -0.9999997481
overlap for current and previous eigenvector    112 is        -0.9999986661
overlap for current and previous eigenvector    113 is         0.9999985554
overlap for current and previous eigenvector    114 is         0.9999996681
J1,K1,R1,R2,RAT=   7   7   -0.4084812945E-02     2.003904488        0.9959151871    
FOB,PFOB,DIAG,PSTEP=   -0.7295597409E-05   -0.7265914830E-05     739.3820527        0.9827896111E-08
J1,K1,R1,R2,RAT=   8   8   -0.1044841342E-01     2.010429174        0.9895515866    
FOB,PFOB,DIAG,PSTEP=   -0.6866685882E-05   -0.6795681113E-05     674.2981889        0.1007825113E-07
J1,K1,R1,R2,RAT=   9   9   -0.2072320157E-01     2.020675563        0.9792767984    
FOB,PFOB,DIAG,PSTEP=   -0.2113096734E-05   -0.2070194651E-05     628.1783568        0.3295630835E-08
J1,K1,R1,R2,RAT=  10  10    0.1623140485E-01     1.983823219        0.9837685951    
FOB,PFOB,DIAG,PSTEP=    0.2809208797E-05    0.2855557237E-05     603.0291062       -0.4735226241E-08
J1,K1,R1,R2,RAT=  11  11   -0.5274947490E-02     2.005306015        0.9947250525    
FOB,PFOB,DIAG,PSTEP=   -0.2003395193E-05   -0.1992883003E-05     587.3706461        0.3392835613E-08
J1,K1,R1,R2,RAT= 109 109     1.996257193        0.3656438362E-02    0.9962571925    
FOB,PFOB,DIAG,PSTEP=    0.7055675076E-04   -0.7081569516E-04     13.83692246        0.5118100043E-05
J1,K1,R1,R2,RAT= 110 110   -0.5058669832         203.1053473        0.4941330168    
FOB,PFOB,DIAG,PSTEP=   -0.1245975280E-01   -0.1239784091E-01     12.23876872        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     10.13899825        0.3808261167        0.6191738833    
FOB,PFOB,DIAG,PSTEP=   -0.4889755543E-03    0.5271414442E-03     10.02186778       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     213.2819308       -0.8895659320        0.1104340680    
FOB,PFOB,DIAG,PSTEP=    0.1565923069E-01   -0.1552914878E-01     8.534570292        0.1713393386E-04
J1,K1,R1,R2,RAT= 113 113   -0.8187887144         294.3305462        0.1812112856    
FOB,PFOB,DIAG,PSTEP=   -0.3333751394E-01   -0.3315254737E-01     6.409471659        0.3524513395E-04
J1,K1,R1,R2,RAT= 114 114    0.9837172706        -1069.334469        0.1628272944E-01
FOB,PFOB,DIAG,PSTEP=   -0.7993774878       -0.7979080902         3.734298350       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00002      0.00002 
     0.00002     -0.00001     -0.00002     -0.00003      0.00001     -0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002      0.00001 
     0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00008 
     0.00003      0.00002      0.00008     -0.00003      0.00004     -0.00001 
    -0.00001      0.00002      0.00003      0.00002     -0.00001     -0.00006 
    -0.00003     -0.00002      0.00005     -0.00001      0.00001     -0.00006 
    -0.00005      0.00006     -0.00001      0.00006     -0.00001      0.00001 
     0.00004      0.00006      0.00012      0.00008     -0.00003     -0.00011 
     0.00005      0.00013     -0.00007      0.00006      0.00005     -0.00001 
     0.00007     -0.01246     -0.00049      0.01566     -0.03334     -0.79938 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4079109986
 Log product of positive Hessian eigenvalues =          519.4371940816
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7342983502
 Unscaled step for mode    7=        0.0000000099
 Unscaled step for mode    8=        0.0000000102
 Unscaled step for mode    9=        0.0000000034
 Unscaled step for mode   10=       -0.0000000047
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000116
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000059
 Unscaled step for mode   15=       -0.0000000045
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000098
 Unscaled step for mode   18=       -0.0000000106
 Unscaled step for mode   19=        0.0000000462
 Unscaled step for mode   20=       -0.0000000118
 Unscaled step for mode   21=       -0.0000000131
 Unscaled step for mode   22=        0.0000000289
 Unscaled step for mode   23=       -0.0000000050
 Unscaled step for mode   24=        0.0000000154
 Unscaled step for mode   25=        0.0000000673
 Unscaled step for mode   26=        0.0000001082
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000378
 Unscaled step for mode   29=       -0.0000000873
 Unscaled step for mode   30=        0.0000000782
 Unscaled step for mode   31=        0.0000000737
 Unscaled step for mode   32=        0.0000000358
 Unscaled step for mode   33=       -0.0000000535
 Unscaled step for mode   34=        0.0000000632
 Unscaled step for mode   35=       -0.0000000940
 Unscaled step for mode   36=       -0.0000000888
 Unscaled step for mode   37=        0.0000000811
 Unscaled step for mode   38=       -0.0000000163
 Unscaled step for mode   39=        0.0000000904
 Unscaled step for mode   40=        0.0000001115
 Unscaled step for mode   41=        0.0000002024
 Unscaled step for mode   42=        0.0000000847
 Unscaled step for mode   43=        0.0000000925
 Unscaled step for mode   44=        0.0000001785
 Unscaled step for mode   45=       -0.0000000179
 Unscaled step for mode   46=       -0.0000001625
 Unscaled step for mode   47=        0.0000001372
 Unscaled step for mode   48=       -0.0000000342
 Unscaled step for mode   49=       -0.0000001571
 Unscaled step for mode   50=       -0.0000000404
 Unscaled step for mode   51=        0.0000001007
 Unscaled step for mode   52=        0.0000000403
 Unscaled step for mode   53=       -0.0000000877
 Unscaled step for mode   54=       -0.0000001404
 Unscaled step for mode   55=       -0.0000001389
 Unscaled step for mode   56=        0.0000000436
 Unscaled step for mode   57=        0.0000000984
 Unscaled step for mode   58=        0.0000001789
 Unscaled step for mode   59=       -0.0000000414
 Unscaled step for mode   60=        0.0000001754
 Unscaled step for mode   61=        0.0000002580
 Unscaled step for mode   62=        0.0000001787
 Unscaled step for mode   63=       -0.0000001430
 Unscaled step for mode   64=        0.0000003039
 Unscaled step for mode   65=       -0.0000001920
 Unscaled step for mode   66=       -0.0000000934
 Unscaled step for mode   67=       -0.0000001192
 Unscaled step for mode   68=        0.0000000752
 Unscaled step for mode   69=       -0.0000000694
 Unscaled step for mode   70=        0.0000002894
 Unscaled step for mode   71=       -0.0000000666
 Unscaled step for mode   72=       -0.0000007457
 Unscaled step for mode   73=       -0.0000002901
 Unscaled step for mode   74=       -0.0000002373
 Unscaled step for mode   75=       -0.0000008736
 Unscaled step for mode   76=        0.0000003392
 Unscaled step for mode   77=       -0.0000003966
 Unscaled step for mode   78=        0.0000001541
 Unscaled step for mode   79=        0.0000000769
 Unscaled step for mode   80=       -0.0000002481
 Unscaled step for mode   81=       -0.0000003419
 Unscaled step for mode   82=       -0.0000001978
 Unscaled step for mode   83=        0.0000001885
 Unscaled step for mode   84=        0.0000007795
 Unscaled step for mode   85=        0.0000004029
 Unscaled step for mode   86=        0.0000002740
 Unscaled step for mode   87=       -0.0000007008
 Unscaled step for mode   88=        0.0000002312
 Unscaled step for mode   89=       -0.0000001234
 Unscaled step for mode   90=        0.0000009362
 Unscaled step for mode   91=        0.0000007964
 Unscaled step for mode   92=       -0.0000010931
 Unscaled step for mode   93=        0.0000001075
 Unscaled step for mode   94=       -0.0000010942
 Unscaled step for mode   95=        0.0000002221
 Unscaled step for mode   96=       -0.0000001198
 Unscaled step for mode   97=       -0.0000009857
 Unscaled step for mode   98=       -0.0000013775
 Unscaled step for mode   99=       -0.0000031924
 Unscaled step for mode  100=       -0.0000022411
 Unscaled step for mode  101=        0.0000007710
 Unscaled step for mode  102=        0.0000037956
 Unscaled step for mode  103=       -0.0000015898
 Unscaled step for mode  104=       -0.0000049085
 Unscaled step for mode  105=        0.0000030646
 Unscaled step for mode  106=       -0.0000030563
 Unscaled step for mode  107=       -0.0000023398
 Unscaled step for mode  108=        0.0000005395
 Unscaled step for mode  109=       -0.0000050992
 Unscaled step for mode  110=        0.0010180550
 Unscaled step for mode  111=        0.0000487909
 Unscaled step for mode  112=       -0.0018347940
 Unscaled step for mode  113=        0.0052011482
 Unscaled step for mode  114=       -0.2050621569
 Largest modulus ratio of non-zero e/values=           197.9975844    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.109851E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.920704E-15    0.100687E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.171521E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.928511E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.184915E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.263732E-15    0.974050E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.729560E-05    0.739382E+03  0.986716E-08 0.100000E-04    0.995915E+00
   8   -0.686669E-05    0.674298E+03  0.101835E-07 0.100000E-04    0.989552E+00
   9   -0.211310E-05    0.628178E+03  0.336385E-08 0.100000E-04    0.979277E+00
  10    0.280921E-05    0.603029E+03 -0.465850E-08 0.100000E-04    0.983769E+00
  11   -0.200340E-05    0.587371E+03  0.341079E-08 0.100000E-04    0.994725E+00
  12   -0.668174E-05    0.575413E+03  0.116121E-07 0.100000E-04    0.983786E+00
  13   -0.358468E-05    0.567033E+03  0.632182E-08 0.100000E-04    0.988837E+00
  14    0.284349E-05    0.485384E+03 -0.585822E-08 0.100000E-04    0.969549E+00
  15    0.209229E-05    0.462878E+03 -0.452018E-08 0.100000E-04    0.981632E+00
  16    0.740972E-05    0.460719E+03 -0.160830E-07 0.100000E-04    0.997254E+00
  17    0.431797E-05    0.441613E+03 -0.977773E-08 0.100000E-04    0.986351E+00
  18    0.453506E-05    0.429044E+03 -0.105701E-07 0.100000E-04    0.999284E+00
  19   -0.195010E-04    0.422084E+03  0.462016E-07 0.100000E-04    0.999920E+00
  20    0.481923E-05    0.408499E+03 -0.117974E-07 0.100000E-04    0.988891E+00
  21    0.521769E-05    0.396921E+03 -0.131454E-07 0.100000E-04    0.989700E+00
  22   -0.112432E-04    0.388543E+03  0.289367E-07 0.100000E-04    0.998394E+00
  23    0.184275E-05    0.368758E+03 -0.499719E-08 0.100000E-04    0.958533E+00
  24   -0.554941E-05    0.360985E+03  0.153730E-07 0.100000E-04    0.992125E+00
  25   -0.235737E-04    0.350137E+03  0.673271E-07 0.100000E-04    0.998305E+00
  26   -0.362512E-04    0.335073E+03  0.108189E-06 0.100000E-04    0.999491E+00
  27   -0.177161E-04    0.327367E+03  0.541168E-07 0.100000E-04    0.998897E+00
  28    0.121680E-04    0.321610E+03 -0.378347E-07 0.100000E-04    0.995991E+00
  29    0.279328E-04    0.319824E+03 -0.873379E-07 0.100000E-04    0.996313E+00
  30   -0.242922E-04    0.310830E+03  0.781526E-07 0.100000E-04    0.997804E+00
  31   -0.223061E-04    0.302557E+03  0.737255E-07 0.100000E-04    0.992574E+00
  32   -0.103784E-04    0.289520E+03  0.358469E-07 0.100000E-04    0.996855E+00
  33    0.148889E-04    0.278397E+03 -0.534808E-07 0.100000E-04    0.996256E+00
  34   -0.171660E-04    0.271451E+03  0.632380E-07 0.100000E-04    0.998283E+00
  35    0.251539E-04    0.267635E+03 -0.939857E-07 0.100000E-04    0.996755E+00
  36    0.235091E-04    0.264689E+03 -0.888178E-07 0.100000E-04    0.996557E+00
  37   -0.211847E-04    0.261288E+03  0.810779E-07 0.100000E-04    0.999801E+00
  38    0.414048E-05    0.253848E+03 -0.163109E-07 0.100000E-04    0.985514E+00
  39   -0.218595E-04    0.241844E+03  0.903870E-07 0.100000E-04    0.999731E+00
  40   -0.267027E-04    0.239460E+03  0.111512E-06 0.100000E-04    0.994225E+00
  41   -0.473646E-04    0.234043E+03  0.202376E-06 0.100000E-04    0.997934E+00
  42   -0.193040E-04    0.227976E+03  0.846757E-07 0.100000E-04    0.993190E+00
  43   -0.201839E-04    0.218256E+03  0.924781E-07 0.100000E-04    0.994495E+00
  44   -0.382700E-04    0.214449E+03  0.178458E-06 0.100000E-04    0.993918E+00
  45    0.380498E-05    0.212915E+03 -0.178709E-07 0.100000E-04    0.998475E+00
  46    0.336711E-04    0.207181E+03 -0.162521E-06 0.100000E-04    0.996654E+00
  47   -0.279116E-04    0.203500E+03  0.137158E-06 0.100000E-04    0.999998E+00
  48    0.673752E-05    0.196719E+03 -0.342495E-07 0.100000E-04    0.994780E+00
  49    0.306329E-04    0.194939E+03 -0.157141E-06 0.100000E-04    0.994799E+00
  50    0.773162E-05    0.191372E+03 -0.404011E-07 0.100000E-04    0.964474E+00
  51   -0.184609E-04    0.183389E+03  0.100665E-06 0.100000E-04    0.996371E+00
  52   -0.702381E-05    0.174249E+03  0.403090E-07 0.100000E-04    0.989894E+00
  53    0.151140E-04    0.172268E+03 -0.877352E-07 0.100000E-04    0.999707E+00
  54    0.235431E-04    0.167743E+03 -0.140352E-06 0.100000E-04    0.994629E+00
  55    0.228068E-04    0.164249E+03 -0.138856E-06 0.100000E-04    0.998545E+00
  56   -0.689117E-05    0.157965E+03  0.436247E-07 0.100000E-04    0.992048E+00
  57   -0.152007E-04    0.154424E+03  0.984350E-07 0.100000E-04    0.997719E+00
  58   -0.271757E-04    0.151868E+03  0.178943E-06 0.100000E-04    0.998933E+00
  59    0.611511E-05    0.147793E+03 -0.413761E-07 0.100000E-04    0.998105E+00
  60   -0.251584E-04    0.143459E+03  0.175370E-06 0.100000E-04    0.998023E+00
  61   -0.354562E-04    0.137449E+03  0.257959E-06 0.100000E-04    0.995986E+00
  62   -0.242955E-04    0.135939E+03  0.178724E-06 0.100000E-04    0.996671E+00
  63    0.186614E-04    0.130531E+03 -0.142965E-06 0.100000E-04    0.984427E+00
  64   -0.390348E-04    0.128467E+03  0.303851E-06 0.100000E-04    0.997150E+00
  65    0.242756E-04    0.126455E+03 -0.191971E-06 0.100000E-04    0.994387E+00
  66    0.116889E-04    0.125138E+03 -0.934083E-07 0.100000E-04    0.985202E+00
  67    0.142868E-04    0.119888E+03 -0.119168E-06 0.100000E-04    0.987603E+00
  68   -0.887879E-05    0.118136E+03  0.751573E-07 0.100000E-04    0.996978E+00
  69    0.813029E-05    0.117111E+03 -0.694235E-07 0.100000E-04    0.994016E+00
  70   -0.319900E-04    0.110557E+03  0.289354E-06 0.100000E-04    0.992676E+00
  71    0.714715E-05    0.107288E+03 -0.666164E-07 0.100000E-04    0.997965E+00
  72    0.779344E-04    0.104516E+03 -0.745672E-06 0.100000E-04    0.999514E+00
  73    0.298882E-04    0.103040E+03 -0.290063E-06 0.100000E-04    0.998925E+00
  74    0.236527E-04    0.996883E+02 -0.237267E-06 0.100000E-04    0.991499E+00
  75    0.836986E-04    0.958057E+02 -0.873628E-06 0.100000E-04    0.999914E+00
  76   -0.318558E-04    0.939022E+02  0.339244E-06 0.100000E-04    0.982650E+00
  77    0.371235E-04    0.936002E+02 -0.396618E-06 0.100000E-04    0.991884E+00
  78   -0.139969E-04    0.908493E+02  0.154067E-06 0.100000E-04    0.976185E+00
  79   -0.686293E-05    0.891945E+02  0.769434E-07 0.100000E-04    0.985403E+00
  80    0.211534E-04    0.852591E+02 -0.248107E-06 0.100000E-04    0.997522E+00
  81    0.276537E-04    0.808786E+02 -0.341916E-06 0.100000E-04    0.997400E+00
  82    0.158307E-04    0.800169E+02 -0.197842E-06 0.100000E-04    0.981199E+00
  83   -0.147358E-04    0.781821E+02  0.188480E-06 0.100000E-04    0.987188E+00
  84   -0.569319E-04    0.730410E+02  0.779451E-06 0.100000E-04    0.997803E+00
  85   -0.292559E-04    0.726150E+02  0.402890E-06 0.100000E-04    0.980857E+00
  86   -0.186872E-04    0.682040E+02  0.273989E-06 0.100000E-04    0.995493E+00
  87    0.459300E-04    0.655394E+02 -0.700801E-06 0.100000E-04    0.999858E+00
  88   -0.144740E-04    0.626007E+02  0.231212E-06 0.100000E-04    0.999351E+00
  89    0.740156E-05    0.599573E+02 -0.123447E-06 0.100000E-04    0.964924E+00
  90   -0.556267E-04    0.594192E+02  0.936173E-06 0.100000E-04    0.993446E+00
  91   -0.468970E-04    0.588843E+02  0.796426E-06 0.100000E-04    0.993351E+00
  92    0.612559E-04    0.560404E+02 -0.109307E-05 0.100000E-04    0.995984E+00
  93   -0.565303E-05    0.525748E+02  0.107524E-06 0.100000E-04    0.886541E+00
  94    0.572376E-04    0.523110E+02 -0.109418E-05 0.100000E-04    0.996558E+00
  95   -0.111091E-04    0.500125E+02  0.222127E-06 0.100000E-04    0.953401E+00
  96    0.563356E-05    0.470219E+02 -0.119807E-06 0.100000E-04    0.984665E+00
  97    0.423126E-04    0.429260E+02 -0.985709E-06 0.100000E-04    0.987474E+00
  98    0.559741E-04    0.406352E+02 -0.137748E-05 0.100000E-04    0.998406E+00
  99    0.120565E-03    0.377667E+02 -0.319235E-05 0.100000E-04    0.994757E+00
 100    0.815462E-04    0.363866E+02 -0.224111E-05 0.100000E-04    0.999848E+00
 101   -0.258210E-04    0.334884E+02  0.771042E-06 0.100000E-04    0.975832E+00
 102   -0.109263E-03    0.287870E+02  0.379556E-05 0.100000E-04    0.998086E+00
 103    0.453663E-04    0.285350E+02 -0.158985E-05 0.100000E-04    0.994505E+00
 104    0.131454E-03    0.267806E+02 -0.490854E-05 0.100000E-04    0.997605E+00
 105   -0.710052E-04    0.231695E+02  0.306459E-05 0.100000E-04    0.996587E+00
 106    0.641885E-04    0.210017E+02 -0.305634E-05 0.100000E-04    0.994633E+00
 107    0.480591E-04    0.205401E+02 -0.233977E-05 0.100000E-04    0.968652E+00
 108   -0.902565E-05    0.167296E+02  0.539501E-06 0.100000E-04    0.893258E+00
 109    0.705568E-04    0.138369E+02 -0.509917E-05 0.100000E-04    0.996257E+00
 110   -0.124598E-01    0.122388E+02  0.100000E-04 0.100000E-04    0.494133E+00
 111   -0.488976E-03    0.100219E+02  0.100000E-04 0.100000E-04    0.619174E+00
 112    0.156592E-01    0.853457E+01 -0.186760E-04 0.186760E-04    0.110434E+00
 113   -0.333375E-01    0.640947E+01  0.384172E-04 0.384172E-04    0.181211E+00
 114   -0.799377E+00    0.373430E+01 -0.400000E-03 0.400000E-03    0.162827E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2050621569    

 Beginning of optimization cycle  423.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3294141605
 potential> RMS force:                                               0.0750952798   |gradient|=.8017981784    
 Eigenvalues of the Hessian matrix:
   739.44905    674.30450    628.19374    603.01228    587.36146    575.45497 
   567.02877    485.41102    462.85419    460.71245    441.61648    429.03854 
   422.08546    408.50168    396.91608    388.53762    368.76919    360.97784 
   350.12863    335.06800    327.38514    321.61459    319.81230    310.81488 
   302.53873    289.53063    278.39457    271.46274    267.64255    264.69168 
   261.31108    253.84395    241.83878    239.47280    234.03515    227.96816 
   218.23608    214.45545    212.92155    207.18228    203.49746    196.70819 
   194.93511    191.36987    183.38029    174.24308    172.27118    167.74661 
   164.23912    157.95285    154.42821    151.87328    147.78290    143.46064 
   137.45368    135.93860    130.52994    128.47109    126.45933    125.13165 
   119.88931    118.13660    117.11173    110.55256    107.28346    104.51337 
   103.03885     99.68749     95.80801     93.90985     93.58329     90.85281 
    89.18805     85.26209     80.87806     80.01931     78.18070     73.04481 
    72.61852     68.20275     65.53028     62.59045     59.95815     59.41703 
    58.87822     56.03996     52.57371     52.31030     50.01245     47.01495 
    42.92799     40.63808     37.76973     36.38826     33.47568     28.78687 
    28.53369     26.77332     23.17157     21.00391     20.53442     16.72810 
    13.83753     12.23880     10.02313      8.53291      6.40075      3.72852 
overlap for current and previous eigenvector    109 is         0.9999998024
overlap for current and previous eigenvector    110 is         0.9999996891
overlap for current and previous eigenvector    111 is         0.9999997476
overlap for current and previous eigenvector    112 is         0.9999987938
overlap for current and previous eigenvector    113 is         0.9999986590
overlap for current and previous eigenvector    114 is         0.9999996462
J1,K1,R1,R2,RAT=   7   7   -0.5162256143E-02     2.004981052        0.9948377439    
FOB,PFOB,DIAG,PSTEP=   -0.7333262564E-05   -0.7295597409E-05     739.4490485        0.9867155122E-08
J1,K1,R1,R2,RAT=   8   8   -0.8844293141E-02     2.008825582        0.9911557069    
FOB,PFOB,DIAG,PSTEP=   -0.6927417433E-05   -0.6866685882E-05     674.3044975        0.1018345592E-07
J1,K1,R1,R2,RAT=   9   9   -0.5767290431E-01     2.057623919        0.9423270957    
FOB,PFOB,DIAG,PSTEP=   -0.2234968144E-05   -0.2113096734E-05     628.1937429        0.3363848358E-08
J1,K1,R1,R2,RAT=  10  10   -0.1783072090E-02     2.001838877        0.9982169279    
FOB,PFOB,DIAG,PSTEP=    0.2814217679E-05    0.2809208797E-05     603.0122807       -0.4658496196E-08
J1,K1,R1,R2,RAT=  11  11    0.1753910406E-01     1.982492171        0.9824608959    
FOB,PFOB,DIAG,PSTEP=   -0.1968257985E-05   -0.2003395193E-05     587.3614611        0.3410785346E-08
J1,K1,R1,R2,RAT= 109 109   -0.1639539213E-01     2.016307450        0.9836046079    
FOB,PFOB,DIAG,PSTEP=    0.7171360722E-04    0.7055675076E-04     13.83753091       -0.5099165003E-05
J1,K1,R1,R2,RAT= 110 110   -0.4898616094         204.1004745        0.5101383906    
FOB,PFOB,DIAG,PSTEP=   -0.1251970601E-01   -0.1245975280E-01     12.23880487        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3736283878         9.383319011        0.6263716122    
FOB,PFOB,DIAG,PSTEP=   -0.4515263111E-03   -0.4889755543E-03     10.02312576        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8077503077         197.3337008        0.1922496923    
FOB,PFOB,DIAG,PSTEP=    0.1578795413E-01    0.1565923069E-01     8.532905349       -0.1867598791E-04
J1,K1,R1,R2,RAT= 113 113   -0.7877521023         271.9357758        0.2122478977    
FOB,PFOB,DIAG,PSTEP=   -0.3353122139E-01   -0.3333751394E-01     6.400753453        0.3841719601E-04
J1,K1,R1,R2,RAT= 114 114    0.9826884199        -1072.960681        0.1731158014E-01
FOB,PFOB,DIAG,PSTEP=   -0.8008430757       -0.7993774878         3.728516319       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00002      0.00002 
     0.00002     -0.00001     -0.00002     -0.00003      0.00001     -0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002      0.00001 
     0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00008 
     0.00003      0.00002      0.00008      0.00003      0.00004      0.00001 
    -0.00001      0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00003     -0.00002      0.00005     -0.00001      0.00001     -0.00006 
    -0.00005      0.00006     -0.00001      0.00006     -0.00001      0.00001 
     0.00004      0.00006      0.00012      0.00008     -0.00002     -0.00011 
     0.00005      0.00013     -0.00007      0.00006      0.00005     -0.00001 
     0.00007     -0.01252     -0.00045      0.01579     -0.03353     -0.80084 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4076710392
 Log product of positive Hessian eigenvalues =          519.4328180474
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7285163186
 Unscaled step for mode    7=        0.0000000099
 Unscaled step for mode    8=        0.0000000103
 Unscaled step for mode    9=        0.0000000036
 Unscaled step for mode   10=       -0.0000000047
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000119
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000061
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000103
 Unscaled step for mode   19=        0.0000000462
 Unscaled step for mode   20=       -0.0000000115
 Unscaled step for mode   21=       -0.0000000129
 Unscaled step for mode   22=        0.0000000292
 Unscaled step for mode   23=       -0.0000000053
 Unscaled step for mode   24=        0.0000000157
 Unscaled step for mode   25=        0.0000000673
 Unscaled step for mode   26=        0.0000001081
 Unscaled step for mode   27=        0.0000000539
 Unscaled step for mode   28=       -0.0000000375
 Unscaled step for mode   29=       -0.0000000878
 Unscaled step for mode   30=        0.0000000784
 Unscaled step for mode   31=        0.0000000742
 Unscaled step for mode   32=        0.0000000364
 Unscaled step for mode   33=       -0.0000000536
 Unscaled step for mode   34=        0.0000000635
 Unscaled step for mode   35=       -0.0000000943
 Unscaled step for mode   36=       -0.0000000896
 Unscaled step for mode   37=        0.0000000809
 Unscaled step for mode   38=       -0.0000000166
 Unscaled step for mode   39=        0.0000000903
 Unscaled step for mode   40=        0.0000001128
 Unscaled step for mode   41=        0.0000002030
 Unscaled step for mode   42=        0.0000000858
 Unscaled step for mode   43=        0.0000000929
 Unscaled step for mode   44=        0.0000001801
 Unscaled step for mode   45=       -0.0000000182
 Unscaled step for mode   46=       -0.0000001633
 Unscaled step for mode   47=        0.0000001374
 Unscaled step for mode   48=       -0.0000000338
 Unscaled step for mode   49=       -0.0000001577
 Unscaled step for mode   50=       -0.0000000392
 Unscaled step for mode   51=        0.0000001005
 Unscaled step for mode   52=        0.0000000403
 Unscaled step for mode   53=       -0.0000000874
 Unscaled step for mode   54=       -0.0000001405
 Unscaled step for mode   55=       -0.0000001395
 Unscaled step for mode   56=        0.0000000448
 Unscaled step for mode   57=        0.0000000981
 Unscaled step for mode   58=        0.0000001793
 Unscaled step for mode   59=       -0.0000000423
 Unscaled step for mode   60=        0.0000001749
 Unscaled step for mode   61=        0.0000002569
 Unscaled step for mode   62=        0.0000001786
 Unscaled step for mode   63=       -0.0000001407
 Unscaled step for mode   64=        0.0000003047
 Unscaled step for mode   65=       -0.0000001902
 Unscaled step for mode   66=       -0.0000000927
 Unscaled step for mode   67=       -0.0000001217
 Unscaled step for mode   68=        0.0000000744
 Unscaled step for mode   69=       -0.0000000693
 Unscaled step for mode   70=        0.0000002909
 Unscaled step for mode   71=       -0.0000000672
 Unscaled step for mode   72=       -0.0000007477
 Unscaled step for mode   73=       -0.0000002890
 Unscaled step for mode   74=       -0.0000002359
 Unscaled step for mode   75=       -0.0000008725
 Unscaled step for mode   76=       -0.0000003330
 Unscaled step for mode   77=       -0.0000004011
 Unscaled step for mode   78=       -0.0000001529
 Unscaled step for mode   79=        0.0000000769
 Unscaled step for mode   80=       -0.0000002471
 Unscaled step for mode   81=        0.0000003438
 Unscaled step for mode   82=        0.0000002010
 Unscaled step for mode   83=       -0.0000001861
 Unscaled step for mode   84=       -0.0000007793
 Unscaled step for mode   85=        0.0000003952
 Unscaled step for mode   86=        0.0000002734
 Unscaled step for mode   87=       -0.0000006976
 Unscaled step for mode   88=        0.0000002384
 Unscaled step for mode   89=       -0.0000001262
 Unscaled step for mode   90=        0.0000009271
 Unscaled step for mode   91=        0.0000007967
 Unscaled step for mode   92=       -0.0000010934
 Unscaled step for mode   93=        0.0000001213
 Unscaled step for mode   94=       -0.0000010948
 Unscaled step for mode   95=        0.0000002174
 Unscaled step for mode   96=       -0.0000001191
 Unscaled step for mode   97=       -0.0000009707
 Unscaled step for mode   98=       -0.0000013743
 Unscaled step for mode   99=       -0.0000031737
 Unscaled step for mode  100=       -0.0000022251
 Unscaled step for mode  101=        0.0000007410
 Unscaled step for mode  102=        0.0000037909
 Unscaled step for mode  103=       -0.0000016043
 Unscaled step for mode  104=       -0.0000049466
 Unscaled step for mode  105=        0.0000030349
 Unscaled step for mode  106=       -0.0000029792
 Unscaled step for mode  107=       -0.0000023371
 Unscaled step for mode  108=        0.0000004164
 Unscaled step for mode  109=       -0.0000051825
 Unscaled step for mode  110=        0.0010229506
 Unscaled step for mode  111=        0.0000450485
 Unscaled step for mode  112=       -0.0018502373
 Unscaled step for mode  113=        0.0052384929
 Unscaled step for mode  114=       -0.2057003953
 Largest modulus ratio of non-zero e/values=           198.3225995    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.732487E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.114578E-14    0.100687E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.210416E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.266497E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.106302E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.624772E-17    0.974052E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.733326E-05    0.739449E+03  0.991720E-08 0.100000E-04    0.994838E+00
   8   -0.692742E-05    0.674304E+03  0.102734E-07 0.100000E-04    0.991156E+00
   9   -0.223497E-05    0.628194E+03  0.355777E-08 0.100000E-04    0.942327E+00
  10    0.281422E-05    0.603012E+03 -0.466693E-08 0.100000E-04    0.998217E+00
  11   -0.196826E-05    0.587361E+03  0.335102E-08 0.100000E-04    0.982461E+00
  12   -0.686745E-05    0.575455E+03  0.119339E-07 0.100000E-04    0.972209E+00
  13   -0.355634E-05    0.567029E+03  0.627189E-08 0.100000E-04    0.992094E+00
  14    0.295113E-05    0.485411E+03 -0.607964E-08 0.100000E-04    0.962148E+00
  15    0.204457E-05    0.462854E+03 -0.441732E-08 0.100000E-04    0.977192E+00
  16    0.738104E-05    0.460712E+03 -0.160209E-07 0.100000E-04    0.996129E+00
  17    0.422763E-05    0.441616E+03 -0.957309E-08 0.100000E-04    0.979064E+00
  18    0.444033E-05    0.429039E+03 -0.103495E-07 0.100000E-04    0.979111E+00
  19   -0.194956E-04    0.422085E+03  0.461886E-07 0.100000E-04    0.999717E+00
  20    0.470316E-05    0.408502E+03 -0.115132E-07 0.100000E-04    0.975901E+00
  21    0.511902E-05    0.396916E+03 -0.128970E-07 0.100000E-04    0.981090E+00
  22   -0.113542E-04    0.388538E+03  0.292230E-07 0.100000E-04    0.990120E+00
  23    0.197073E-05    0.368769E+03 -0.534408E-08 0.100000E-04    0.930551E+00
  24   -0.566066E-05    0.360978E+03  0.156815E-07 0.100000E-04    0.979952E+00
  25   -0.235466E-04    0.350129E+03  0.672513E-07 0.100000E-04    0.998850E+00
  26   -0.362241E-04    0.335068E+03  0.108110E-06 0.100000E-04    0.999254E+00
  27   -0.176458E-04    0.327385E+03  0.538993E-07 0.100000E-04    0.995925E+00
  28    0.120711E-04    0.321615E+03 -0.375328E-07 0.100000E-04    0.992008E+00
  29    0.280641E-04    0.319812E+03 -0.877517E-07 0.100000E-04    0.995299E+00
  30   -0.243800E-04    0.310815E+03  0.784390E-07 0.100000E-04    0.996385E+00
  31   -0.224359E-04    0.302539E+03  0.741586E-07 0.100000E-04    0.994184E+00
  32   -0.105478E-04    0.289531E+03  0.364308E-07 0.100000E-04    0.983671E+00
  33    0.149098E-04    0.278395E+03 -0.535565E-07 0.100000E-04    0.998595E+00
  34   -0.172389E-04    0.271463E+03  0.635039E-07 0.100000E-04    0.995754E+00
  35    0.252479E-04    0.267643E+03 -0.943343E-07 0.100000E-04    0.996262E+00
  36    0.237134E-04    0.264692E+03 -0.895889E-07 0.100000E-04    0.991309E+00
  37   -0.211483E-04    0.261311E+03  0.809316E-07 0.100000E-04    0.998108E+00
  38    0.421655E-05    0.253844E+03 -0.166108E-07 0.100000E-04    0.981628E+00
  39   -0.218322E-04    0.241839E+03  0.902760E-07 0.100000E-04    0.998751E+00
  40   -0.270030E-04    0.239473E+03  0.112760E-06 0.100000E-04    0.988754E+00
  41   -0.475159E-04    0.234035E+03  0.203029E-06 0.100000E-04    0.996806E+00
  42   -0.195698E-04    0.227968E+03  0.858444E-07 0.100000E-04    0.986231E+00
  43   -0.202637E-04    0.218236E+03  0.928524E-07 0.100000E-04    0.996045E+00
  44   -0.386207E-04    0.214455E+03  0.180087E-06 0.100000E-04    0.990838E+00
  45    0.387511E-05    0.212922E+03 -0.181997E-07 0.100000E-04    0.981568E+00
  46    0.338242E-04    0.207182E+03 -0.163258E-06 0.100000E-04    0.995454E+00
  47   -0.279530E-04    0.203497E+03  0.137363E-06 0.100000E-04    0.998518E+00
  48    0.664949E-05    0.196708E+03 -0.338038E-07 0.100000E-04    0.986933E+00
  49    0.307340E-04    0.194935E+03 -0.157663E-06 0.100000E-04    0.996699E+00
  50    0.749412E-05    0.191370E+03 -0.391604E-07 0.100000E-04    0.969282E+00
  51   -0.184258E-04    0.183380E+03  0.100479E-06 0.100000E-04    0.998097E+00
  52   -0.702912E-05    0.174243E+03  0.403409E-07 0.100000E-04    0.999243E+00
  53    0.150545E-04    0.172271E+03 -0.873882E-07 0.100000E-04    0.996029E+00
  54    0.235661E-04    0.167747E+03 -0.140486E-06 0.100000E-04    0.999024E+00
  55    0.229115E-04    0.164239E+03 -0.139501E-06 0.100000E-04    0.995412E+00
  56   -0.708380E-05    0.157953E+03  0.448476E-07 0.100000E-04    0.972044E+00
  57   -0.151480E-04    0.154428E+03  0.980911E-07 0.100000E-04    0.996475E+00
  58   -0.272359E-04    0.151873E+03  0.179333E-06 0.100000E-04    0.997784E+00
  59    0.624844E-05    0.147783E+03 -0.422812E-07 0.100000E-04    0.978194E+00
  60   -0.250906E-04    0.143461E+03  0.174895E-06 0.100000E-04    0.997284E+00
  61   -0.353079E-04    0.137454E+03  0.256871E-06 0.100000E-04    0.995748E+00
  62   -0.242774E-04    0.135939E+03  0.178591E-06 0.100000E-04    0.999253E+00
  63    0.183710E-04    0.130530E+03 -0.140742E-06 0.100000E-04    0.984443E+00
  64   -0.391416E-04    0.128471E+03  0.304672E-06 0.100000E-04    0.997264E+00
  65    0.240539E-04    0.126459E+03 -0.190210E-06 0.100000E-04    0.990794E+00
  66    0.116023E-04    0.125132E+03 -0.927207E-07 0.100000E-04    0.992586E+00
  67    0.145929E-04    0.119889E+03 -0.121719E-06 0.100000E-04    0.978575E+00
  68   -0.879186E-05    0.118137E+03  0.744211E-07 0.100000E-04    0.990200E+00
  69    0.811410E-05    0.117112E+03 -0.692851E-07 0.100000E-04    0.998005E+00
  70   -0.321551E-04    0.110553E+03  0.290858E-06 0.100000E-04    0.994842E+00
  71    0.721267E-05    0.107283E+03 -0.672301E-07 0.100000E-04    0.990832E+00
  72    0.781453E-04    0.104513E+03 -0.747706E-06 0.100000E-04    0.997294E+00
  73    0.297771E-04    0.103039E+03 -0.288989E-06 0.100000E-04    0.996283E+00
  74    0.235163E-04    0.996875E+02 -0.235901E-06 0.100000E-04    0.994233E+00
  75    0.835912E-04    0.958080E+02 -0.872487E-06 0.100000E-04    0.998669E+00
  76    0.312708E-04    0.939099E+02 -0.332988E-06 0.100000E-04    0.981476E+00
  77    0.375358E-04    0.935833E+02 -0.401095E-06 0.100000E-04    0.988894E+00
  78    0.138919E-04    0.908528E+02 -0.152906E-06 0.100000E-04    0.992424E+00
  79   -0.685669E-05    0.891880E+02  0.768790E-07 0.100000E-04    0.999090E+00
  80    0.210652E-04    0.852621E+02 -0.247064E-06 0.100000E-04    0.995763E+00
  81   -0.278041E-04    0.808781E+02  0.343778E-06 0.100000E-04    0.994561E+00
  82   -0.160816E-04    0.800193E+02  0.200972E-06 0.100000E-04    0.984149E+00
  83    0.145493E-04    0.781807E+02 -0.186099E-06 0.100000E-04    0.987349E+00
  84    0.569239E-04    0.730448E+02 -0.779301E-06 0.100000E-04    0.999754E+00
  85   -0.287005E-04    0.726185E+02  0.395223E-06 0.100000E-04    0.980920E+00
  86   -0.186468E-04    0.682028E+02  0.273403E-06 0.100000E-04    0.997842E+00
  87    0.457168E-04    0.655303E+02 -0.697644E-06 0.100000E-04    0.995356E+00
  88   -0.149197E-04    0.625905E+02  0.238371E-06 0.100000E-04    0.969199E+00
  89    0.756933E-05    0.599581E+02 -0.126244E-06 0.100000E-04    0.977333E+00
  90   -0.550848E-04    0.594170E+02  0.927088E-06 0.100000E-04    0.990259E+00
  91   -0.469101E-04    0.588782E+02  0.796730E-06 0.100000E-04    0.999720E+00
  92    0.612724E-04    0.560400E+02 -0.109337E-05 0.100000E-04    0.999730E+00
  93   -0.637859E-05    0.525737E+02  0.121327E-06 0.100000E-04    0.871649E+00
  94    0.572675E-04    0.523103E+02 -0.109477E-05 0.100000E-04    0.999478E+00
  95   -0.108714E-04    0.500125E+02  0.217374E-06 0.100000E-04    0.978601E+00
  96    0.559988E-05    0.470149E+02 -0.119108E-06 0.100000E-04    0.994021E+00
  97    0.416695E-04    0.429280E+02 -0.970683E-06 0.100000E-04    0.984711E+00
  98    0.558476E-04    0.406381E+02 -0.137427E-05 0.100000E-04    0.997597E+00
  99    0.119870E-03    0.377697E+02 -0.317370E-05 0.100000E-04    0.994077E+00
 100    0.809672E-04    0.363883E+02 -0.222509E-05 0.100000E-04    0.992807E+00
 101   -0.248066E-04    0.334757E+02  0.741033E-06 0.100000E-04    0.960699E+00
 102   -0.109129E-03    0.287869E+02  0.379092E-05 0.100000E-04    0.998774E+00
 103    0.457779E-04    0.285337E+02 -0.160435E-05 0.100000E-04    0.990925E+00
 104    0.132436E-03    0.267733E+02 -0.494658E-05 0.100000E-04    0.992523E+00
 105   -0.703239E-04    0.231716E+02  0.303492E-05 0.100000E-04    0.990230E+00
 106    0.625755E-04    0.210039E+02 -0.297923E-05 0.100000E-04    0.974664E+00
 107    0.479902E-04    0.205344E+02 -0.233706E-05 0.100000E-04    0.998565E+00
 108   -0.696568E-05    0.167281E+02  0.416406E-06 0.100000E-04    0.771743E+00
 109    0.717136E-04    0.138375E+02 -0.518254E-05 0.100000E-04    0.983605E+00
 110   -0.125197E-01    0.122388E+02  0.100000E-04 0.100000E-04    0.510138E+00
 111   -0.451526E-03    0.100231E+02  0.100000E-04 0.100000E-04    0.626372E+00
 112    0.157880E-01    0.853291E+01 -0.203568E-04 0.203568E-04    0.192250E+00
 113   -0.335312E-01    0.640075E+01  0.346101E-04 0.346101E-04    0.212248E+00
 114   -0.800843E+00    0.372852E+01 -0.400000E-03 0.400000E-03    0.173116E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2057003953    

 Beginning of optimization cycle  424.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3290951318
 potential> RMS force:                                               0.0752333076   |gradient|=.8032719119    
 Eigenvalues of the Hessian matrix:
   739.51595    674.31122    628.20906    602.99512    587.35253    575.49609 
   567.02476    485.43813    462.83090    460.70624    441.61970    429.03266 
   422.08643    408.50461    396.91107    388.53186    368.78064    360.97034 
   350.12033    335.06303    327.40312    321.61904    319.80001    310.79967 
   302.52056    289.54161    278.39198    271.47406    267.64988    264.69403 
   261.33371    253.84022    241.83372    239.48577    234.02707    227.96057 
   218.21600    214.46215    212.92821    207.18379    203.49486    196.69762 
   194.93132    191.36821    183.37120    174.23688    172.27389    167.74992 
   164.22953    157.94097    154.43281    151.87899    147.77264    143.46233 
   137.45831    135.93853    130.52867    128.47517    126.46383    125.12521 
   119.89064    118.13717    117.11205    110.54843    107.27877    104.51124 
   103.03731     99.68671     95.81041     93.91742     93.56636     90.85626 
    89.18160     85.26500     80.87749     80.02166     78.17939     73.04876 
    72.62215     68.20165     65.52133     62.58016     59.95893     59.41506 
    58.87218     56.03957     52.57273     52.30966     50.01241     47.00806 
    42.92991     40.64101     37.77277     36.39016     33.46302     28.78679 
    28.53241     26.76603     23.17356     21.00633     20.52853     16.72657 
    13.83814     12.23885     10.02437      8.53119      6.39204      3.72273 
overlap for current and previous eigenvector    109 is         0.9999998074
overlap for current and previous eigenvector    110 is        -0.9999996943
overlap for current and previous eigenvector    111 is        -0.9999997604
overlap for current and previous eigenvector    112 is        -0.9999988176
overlap for current and previous eigenvector    113 is         0.9999986825
overlap for current and previous eigenvector    114 is         0.9999996604
J1,K1,R1,R2,RAT=   7   7   -0.5643697097E-02     2.005462759        0.9943563029    
FOB,PFOB,DIAG,PSTEP=   -0.7374653021E-05   -0.7333262564E-05     739.5159517        0.9917197918E-08
J1,K1,R1,R2,RAT=   8   8    0.5779979976E-02     1.994200085        0.9942000846    
FOB,PFOB,DIAG,PSTEP=   -0.6887376700E-05   -0.6927417433E-05     674.3112189        0.1027342611E-07
J1,K1,R1,R2,RAT=   9   9    0.8346700520E-02     1.991604526        0.9916045256    
FOB,PFOB,DIAG,PSTEP=   -0.2216313080E-05   -0.2234968144E-05     628.2090630        0.3557768873E-08
J1,K1,R1,R2,RAT=  10  10   -0.2931168127E-01     2.029368606        0.9706883187    
FOB,PFOB,DIAG,PSTEP=    0.2896704783E-05    0.2814217679E-05     602.9951180       -0.4666932614E-08
J1,K1,R1,R2,RAT=  11  11   -0.1475578774E-01     2.014786184        0.9852442123    
FOB,PFOB,DIAG,PSTEP=   -0.1997300741E-05   -0.1968257985E-05     587.3525344        0.3351016564E-08
J1,K1,R1,R2,RAT= 109 109    0.2092507500E-02     1.997819047        0.9978190467    
FOB,PFOB,DIAG,PSTEP=    0.7156353932E-04    0.7171360722E-04     13.83814287       -0.5182543597E-05
J1,K1,R1,R2,RAT= 110 110     205.1050262       -0.5154077920        0.4845922080    
FOB,PFOB,DIAG,PSTEP=    0.1258278598E-01   -0.1251970601E-01     12.23884780        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     8.634764624        0.3738084919        0.6261915081    
FOB,PFOB,DIAG,PSTEP=    0.4140543680E-03   -0.4515263111E-03     10.02436913        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     182.4524279       -0.6348027308        0.3651972692    
FOB,PFOB,DIAG,PSTEP=   -0.1589819907E-01    0.1578795413E-01     8.531193426       -0.2035682682E-04
J1,K1,R1,R2,RAT= 113 113   -0.9015865274         304.0371914        0.9841347256E-01
FOB,PFOB,DIAG,PSTEP=   -0.3373067864E-01   -0.3353122139E-01     6.392043688        0.3461008650E-04
J1,K1,R1,R2,RAT= 114 114    0.9831379818        -1076.595708        0.1686201819E-01
FOB,PFOB,DIAG,PSTEP=   -0.8023070587       -0.8008430757         3.722730181       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003      0.00001     -0.00002     -0.00001      0.00002      0.00002 
    -0.00002     -0.00001      0.00002      0.00003     -0.00001     -0.00003 
     0.00004      0.00002      0.00002     -0.00004     -0.00002      0.00001 
     0.00001      0.00001     -0.00001      0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008      0.00003     -0.00004      0.00001 
    -0.00001      0.00002     -0.00003     -0.00002      0.00001     -0.00006 
     0.00003      0.00002      0.00005     -0.00002      0.00001      0.00005 
     0.00005      0.00006     -0.00001      0.00006     -0.00001      0.00001 
     0.00004     -0.00006     -0.00012      0.00008      0.00003     -0.00011 
     0.00005      0.00013     -0.00007     -0.00006      0.00004     -0.00001 
     0.00007      0.01258      0.00041     -0.01590     -0.03373     -0.80231 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4074233343
 Log product of positive Hessian eigenvalues =          519.4284506748
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7227301815
 Unscaled step for mode    7=        0.0000000100
 Unscaled step for mode    8=        0.0000000102
 Unscaled step for mode    9=        0.0000000035
 Unscaled step for mode   10=       -0.0000000048
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000118
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000061
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000097
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000464
 Unscaled step for mode   20=       -0.0000000116
 Unscaled step for mode   21=       -0.0000000130
 Unscaled step for mode   22=        0.0000000293
 Unscaled step for mode   23=       -0.0000000051
 Unscaled step for mode   24=        0.0000000157
 Unscaled step for mode   25=        0.0000000674
 Unscaled step for mode   26=        0.0000001083
 Unscaled step for mode   27=        0.0000000539
 Unscaled step for mode   28=       -0.0000000375
 Unscaled step for mode   29=       -0.0000000885
 Unscaled step for mode   30=        0.0000000779
 Unscaled step for mode   31=        0.0000000740
 Unscaled step for mode   32=        0.0000000366
 Unscaled step for mode   33=       -0.0000000540
 Unscaled step for mode   34=        0.0000000640
 Unscaled step for mode   35=       -0.0000000940
 Unscaled step for mode   36=       -0.0000000896
 Unscaled step for mode   37=        0.0000000811
 Unscaled step for mode   38=       -0.0000000168
 Unscaled step for mode   39=        0.0000000905
 Unscaled step for mode   40=        0.0000001134
 Unscaled step for mode   41=        0.0000002031
 Unscaled step for mode   42=        0.0000000857
 Unscaled step for mode   43=        0.0000000925
 Unscaled step for mode   44=        0.0000001801
 Unscaled step for mode   45=       -0.0000000191
 Unscaled step for mode   46=       -0.0000001635
 Unscaled step for mode   47=        0.0000001367
 Unscaled step for mode   48=       -0.0000000343
 Unscaled step for mode   49=       -0.0000001572
 Unscaled step for mode   50=       -0.0000000409
 Unscaled step for mode   51=        0.0000001003
 Unscaled step for mode   52=        0.0000000406
 Unscaled step for mode   53=       -0.0000000877
 Unscaled step for mode   54=       -0.0000001405
 Unscaled step for mode   55=        0.0000001396
 Unscaled step for mode   56=        0.0000000452
 Unscaled step for mode   57=       -0.0000000989
 Unscaled step for mode   58=       -0.0000001793
 Unscaled step for mode   59=        0.0000000429
 Unscaled step for mode   60=        0.0000001749
 Unscaled step for mode   61=       -0.0000002593
 Unscaled step for mode   62=       -0.0000001782
 Unscaled step for mode   63=       -0.0000001423
 Unscaled step for mode   64=        0.0000003060
 Unscaled step for mode   65=        0.0000001920
 Unscaled step for mode   66=       -0.0000000927
 Unscaled step for mode   67=       -0.0000001212
 Unscaled step for mode   68=       -0.0000000746
 Unscaled step for mode   69=        0.0000000704
 Unscaled step for mode   70=       -0.0000002891
 Unscaled step for mode   71=       -0.0000000669
 Unscaled step for mode   72=       -0.0000007516
 Unscaled step for mode   73=        0.0000002893
 Unscaled step for mode   74=        0.0000002367
 Unscaled step for mode   75=       -0.0000008731
 Unscaled step for mode   76=       -0.0000003296
 Unscaled step for mode   77=        0.0000004063
 Unscaled step for mode   78=       -0.0000001523
 Unscaled step for mode   79=        0.0000000774
 Unscaled step for mode   80=       -0.0000002456
 Unscaled step for mode   81=        0.0000003443
 Unscaled step for mode   82=        0.0000002001
 Unscaled step for mode   83=       -0.0000001831
 Unscaled step for mode   84=        0.0000007867
 Unscaled step for mode   85=       -0.0000003968
 Unscaled step for mode   86=       -0.0000002769
 Unscaled step for mode   87=       -0.0000007012
 Unscaled step for mode   88=        0.0000002412
 Unscaled step for mode   89=       -0.0000001201
 Unscaled step for mode   90=       -0.0000009238
 Unscaled step for mode   91=       -0.0000008123
 Unscaled step for mode   92=       -0.0000010868
 Unscaled step for mode   93=        0.0000001284
 Unscaled step for mode   94=       -0.0000010987
 Unscaled step for mode   95=        0.0000002237
 Unscaled step for mode   96=       -0.0000001283
 Unscaled step for mode   97=       -0.0000009875
 Unscaled step for mode   98=        0.0000013837
 Unscaled step for mode   99=        0.0000031896
 Unscaled step for mode  100=       -0.0000022216
 Unscaled step for mode  101=       -0.0000007696
 Unscaled step for mode  102=        0.0000038120
 Unscaled step for mode  103=       -0.0000016075
 Unscaled step for mode  104=       -0.0000049971
 Unscaled step for mode  105=        0.0000030533
 Unscaled step for mode  106=        0.0000030436
 Unscaled step for mode  107=       -0.0000021589
 Unscaled step for mode  108=        0.0000005257
 Unscaled step for mode  109=       -0.0000051715
 Unscaled step for mode  110=       -0.0010281011
 Unscaled step for mode  111=       -0.0000413048
 Unscaled step for mode  112=        0.0018635311
 Unscaled step for mode  113=        0.0052768318
 Unscaled step for mode  114=       -0.2063399336
 Largest modulus ratio of non-zero e/values=           198.6488184    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.109504E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.142345E-14    0.100687E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.107163E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.437698E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.747666E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.348164E-15    0.974053E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.737465E-05    0.739516E+03  0.997227E-08 0.100000E-04    0.994356E+00
   8   -0.688738E-05    0.674311E+03  0.102139E-07 0.100000E-04    0.994200E+00
   9   -0.221631E-05    0.628209E+03  0.352799E-08 0.100000E-04    0.991605E+00
  10    0.289670E-05    0.602995E+03 -0.480386E-08 0.100000E-04    0.970688E+00
  11   -0.199730E-05    0.587353E+03  0.340051E-08 0.100000E-04    0.985244E+00
  12   -0.681879E-05    0.575496E+03  0.118486E-07 0.100000E-04    0.992773E+00
  13   -0.352029E-05    0.567025E+03  0.620836E-08 0.100000E-04    0.989863E+00
  14    0.295042E-05    0.485438E+03 -0.607784E-08 0.100000E-04    0.999648E+00
  15    0.203842E-05    0.462831E+03 -0.440424E-08 0.100000E-04    0.996990E+00
  16    0.742944E-05    0.460706E+03 -0.161262E-07 0.100000E-04    0.993443E+00
  17    0.430386E-05    0.441620E+03 -0.974563E-08 0.100000E-04    0.981969E+00
  18    0.444864E-05    0.429033E+03 -0.103690E-07 0.100000E-04    0.998128E+00
  19   -0.195738E-04    0.422086E+03  0.463739E-07 0.100000E-04    0.995987E+00
  20    0.472174E-05    0.408505E+03 -0.115586E-07 0.100000E-04    0.996050E+00
  21    0.514012E-05    0.396911E+03 -0.129503E-07 0.100000E-04    0.995878E+00
  22   -0.113992E-04    0.388532E+03  0.293391E-07 0.100000E-04    0.996044E+00
  23    0.187880E-05    0.368781E+03 -0.509463E-08 0.100000E-04    0.953290E+00
  24   -0.568458E-05    0.360970E+03  0.157481E-07 0.100000E-04    0.995774E+00
  25   -0.235921E-04    0.350120E+03  0.673830E-07 0.100000E-04    0.998066E+00
  26   -0.363035E-04    0.335063E+03  0.108348E-06 0.100000E-04    0.997809E+00
  27   -0.176546E-04    0.327403E+03  0.539231E-07 0.100000E-04    0.999503E+00
  28    0.120641E-04    0.321619E+03 -0.375104E-07 0.100000E-04    0.999390E+00
  29    0.283119E-04    0.319800E+03 -0.885301E-07 0.100000E-04    0.991169E+00
  30   -0.242254E-04    0.310800E+03  0.779454E-07 0.100000E-04    0.993659E+00
  31   -0.223968E-04    0.302521E+03  0.740341E-07 0.100000E-04    0.998260E+00
  32   -0.105858E-04    0.289542E+03  0.365604E-07 0.100000E-04    0.996404E+00
  33    0.150269E-04    0.278392E+03 -0.539777E-07 0.100000E-04    0.992145E+00
  34   -0.173731E-04    0.271474E+03  0.639954E-07 0.100000E-04    0.992218E+00
  35    0.251616E-04    0.267650E+03 -0.940095E-07 0.100000E-04    0.996529E+00
  36    0.237146E-04    0.264694E+03 -0.895927E-07 0.100000E-04    0.999949E+00
  37   -0.211828E-04    0.261334E+03  0.810563E-07 0.100000E-04    0.998372E+00
  38    0.426433E-05    0.253840E+03 -0.167993E-07 0.100000E-04    0.988667E+00
  39   -0.218934E-04    0.241834E+03  0.905310E-07 0.100000E-04    0.997196E+00
  40   -0.271505E-04    0.239486E+03  0.113370E-06 0.100000E-04    0.994537E+00
  41   -0.475328E-04    0.234027E+03  0.203108E-06 0.100000E-04    0.999646E+00
  42   -0.195455E-04    0.227961E+03  0.857407E-07 0.100000E-04    0.998760E+00
  43   -0.201877E-04    0.218216E+03  0.925126E-07 0.100000E-04    0.996249E+00
  44   -0.386328E-04    0.214462E+03  0.180138E-06 0.100000E-04    0.999687E+00
  45    0.406407E-05    0.212928E+03 -0.190866E-07 0.100000E-04    0.951238E+00
  46    0.338718E-04    0.207184E+03 -0.163487E-06 0.100000E-04    0.998593E+00
  47   -0.278234E-04    0.203495E+03  0.136728E-06 0.100000E-04    0.995366E+00
  48    0.673712E-05    0.196698E+03 -0.342511E-07 0.100000E-04    0.986821E+00
  49    0.306483E-04    0.194931E+03 -0.157226E-06 0.100000E-04    0.997212E+00
  50    0.782657E-05    0.191368E+03 -0.408980E-07 0.100000E-04    0.955638E+00
  51   -0.183880E-04    0.183371E+03  0.100278E-06 0.100000E-04    0.997950E+00
  52   -0.707327E-05    0.174237E+03  0.405957E-07 0.100000E-04    0.993720E+00
  53    0.151083E-04    0.172274E+03 -0.876992E-07 0.100000E-04    0.996426E+00
  54    0.235650E-04    0.167750E+03 -0.140477E-06 0.100000E-04    0.999915E+00
  55   -0.229252E-04    0.164230E+03  0.139592E-06 0.100000E-04    0.999402E+00
  56   -0.713134E-05    0.157941E+03  0.451519E-07 0.100000E-04    0.993288E+00
  57    0.152724E-04    0.154433E+03 -0.988936E-07 0.100000E-04    0.991789E+00
  58    0.272341E-04    0.151879E+03 -0.179314E-06 0.100000E-04    0.999858E+00
  59   -0.634481E-05    0.147773E+03  0.429363E-07 0.100000E-04    0.984576E+00
  60   -0.250953E-04    0.143462E+03  0.174926E-06 0.100000E-04    0.999815E+00
  61    0.356432E-04    0.137458E+03 -0.259302E-06 0.100000E-04    0.990503E+00
  62    0.242212E-04    0.135939E+03 -0.178177E-06 0.100000E-04    0.997683E+00
  63    0.185771E-04    0.130529E+03 -0.142322E-06 0.100000E-04    0.988781E+00
  64   -0.393170E-04    0.128475E+03  0.306028E-06 0.100000E-04    0.995519E+00
  65   -0.242766E-04    0.126464E+03  0.191964E-06 0.100000E-04    0.990743E+00
  66    0.116042E-04    0.125125E+03 -0.927410E-07 0.100000E-04    0.999832E+00
  67    0.145316E-04    0.119891E+03 -0.121208E-06 0.100000E-04    0.995784E+00
  68    0.881586E-05    0.118137E+03 -0.746240E-07 0.100000E-04    0.997270E+00
  69   -0.824490E-05    0.117112E+03  0.704018E-07 0.100000E-04    0.983880E+00
  70    0.319548E-04    0.110548E+03 -0.289057E-06 0.100000E-04    0.993771E+00
  71    0.717697E-05    0.107279E+03 -0.669002E-07 0.100000E-04    0.995050E+00
  72    0.785552E-04    0.104511E+03 -0.751644E-06 0.100000E-04    0.994754E+00
  73   -0.298104E-04    0.103037E+03  0.289317E-06 0.100000E-04    0.998881E+00
  74   -0.235936E-04    0.996867E+02  0.236677E-06 0.100000E-04    0.996715E+00
  75    0.836526E-04    0.958104E+02 -0.873106E-06 0.100000E-04    0.999265E+00
  76    0.309541E-04    0.939174E+02 -0.329589E-06 0.100000E-04    0.989712E+00
  77   -0.380152E-04    0.935664E+02  0.406292E-06 0.100000E-04    0.987224E+00
  78    0.138382E-04    0.908563E+02 -0.152309E-06 0.100000E-04    0.996059E+00
  79   -0.689843E-05    0.891816E+02  0.773526E-07 0.100000E-04    0.993912E+00
  80    0.209447E-04    0.852650E+02 -0.245643E-06 0.100000E-04    0.994211E+00
  81   -0.278444E-04    0.808775E+02  0.344278E-06 0.100000E-04    0.998551E+00
  82   -0.160087E-04    0.800217E+02  0.200055E-06 0.100000E-04    0.995408E+00
  83    0.143141E-04    0.781794E+02 -0.183093E-06 0.100000E-04    0.983834E+00
  84   -0.574667E-04    0.730488E+02  0.786690E-06 0.100000E-04    0.990464E+00
  85    0.288184E-04    0.726221E+02 -0.396826E-06 0.100000E-04    0.995892E+00
  86    0.188826E-04    0.682017E+02 -0.276864E-06 0.100000E-04    0.987355E+00
  87    0.459409E-04    0.655213E+02 -0.701159E-06 0.100000E-04    0.995097E+00
  88   -0.150930E-04    0.625802E+02  0.241179E-06 0.100000E-04    0.988385E+00
  89    0.720054E-05    0.599589E+02 -0.120091E-06 0.100000E-04    0.951252E+00
  90    0.548900E-04    0.594151E+02 -0.923840E-06 0.100000E-04    0.996464E+00
  91    0.478243E-04    0.588722E+02 -0.812341E-06 0.100000E-04    0.980509E+00
  92    0.609017E-04    0.560396E+02 -0.108676E-05 0.100000E-04    0.993949E+00
  93   -0.675163E-05    0.525727E+02  0.128425E-06 0.100000E-04    0.941515E+00
  94    0.574732E-04    0.523097E+02 -0.109871E-05 0.100000E-04    0.996408E+00
  95   -0.111860E-04    0.500124E+02  0.223664E-06 0.100000E-04    0.971062E+00
  96    0.603134E-05    0.470081E+02 -0.128304E-06 0.100000E-04    0.922940E+00
  97    0.423938E-04    0.429299E+02 -0.987512E-06 0.100000E-04    0.982619E+00
  98   -0.562349E-04    0.406410E+02  0.138370E-05 0.100000E-04    0.993065E+00
  99   -0.120479E-03    0.377728E+02  0.318957E-05 0.100000E-04    0.994917E+00
 100    0.808441E-04    0.363902E+02 -0.222159E-05 0.100000E-04    0.998376E+00
 101    0.257533E-04    0.334630E+02 -0.769606E-06 0.100000E-04    0.961819E+00
 102   -0.109735E-03    0.287868E+02  0.381200E-05 0.100000E-04    0.994443E+00
 103    0.458672E-04    0.285324E+02 -0.160755E-05 0.100000E-04    0.998051E+00
 104    0.133753E-03    0.267660E+02 -0.499711E-05 0.100000E-04    0.990056E+00
 105   -0.707569E-04    0.231736E+02  0.305335E-05 0.100000E-04    0.993843E+00
 106   -0.639349E-04    0.210063E+02  0.304360E-05 0.100000E-04    0.978278E+00
 107    0.443185E-04    0.205285E+02 -0.215887E-05 0.100000E-04    0.923469E+00
 108   -0.879370E-05    0.167266E+02  0.525733E-06 0.100000E-04    0.737542E+00
 109    0.715635E-04    0.138381E+02 -0.517147E-05 0.100000E-04    0.997819E+00
 110    0.125828E-01    0.122388E+02 -0.100000E-04 0.100000E-04    0.484592E+00
 111    0.414054E-03    0.100244E+02 -0.100000E-04 0.100000E-04    0.626192E+00
 112   -0.158982E-01    0.853119E+01  0.183395E-04 0.183395E-04    0.365197E+00
 113   -0.337307E-01    0.639204E+01  0.377250E-04 0.377250E-04    0.984135E-01
 114   -0.802307E+00    0.372273E+01 -0.400000E-03 0.400000E-03    0.168620E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2063399336    

 Beginning of optimization cycle  425.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3287756000
 potential> RMS force:                                               0.0753710671   |gradient|=.8047427818    
 Eigenvalues of the Hessian matrix:
   739.58301    674.31756    628.22443    602.97818    587.34343    575.53744 
   567.02047    485.46510    462.80762    460.70003    441.62290    429.02707 
   422.08748    408.50750    396.90606    388.52615    368.79216    360.96291 
   350.11227    335.05832    327.42122    321.62342    319.78787    310.78459 
   302.50247    289.55268    278.38952    271.48556    267.65737    264.69637 
   261.35680    253.83654    241.82880    239.49887    234.01916    227.95310 
   218.19592    214.46888    212.93490    207.18541    203.49221    196.68702 
   194.92764    191.36651    183.36219    174.23079    172.27655    167.75335 
   164.21987    157.92904    154.43743    151.88468    147.76229    143.46394 
   137.46301    135.93844    130.52732    128.47929    126.46833    125.11866 
   119.89192    118.13770    117.11228    110.54430    107.27403    104.50902 
   103.03570     99.68588     95.81284     93.92489     93.54938     90.85974 
    89.17511     85.26793     80.87691     80.02409     78.17803     73.05266 
    72.62566     68.20041     65.51238     62.56977     59.95971     59.41308 
    58.86596     56.03908     52.57170     52.30894     50.01238     47.00106 
    42.93188     40.64392     37.77571     36.39181     33.45030     28.78670 
    28.53113     26.75873     23.17559     21.00877     20.52253     16.72499 
    13.83875     12.23889     10.02562      8.52954      6.38330      3.71694 
overlap for current and previous eigenvector    109 is         0.9999998033
overlap for current and previous eigenvector    110 is         0.9999996919
overlap for current and previous eigenvector    111 is         0.9999997524
overlap for current and previous eigenvector    112 is         0.9999988335
overlap for current and previous eigenvector    113 is         0.9999986959
overlap for current and previous eigenvector    114 is         0.9999996517
J1,K1,R1,R2,RAT=   7   7   -0.4008198181E-02     2.003826857        0.9959918018    
FOB,PFOB,DIAG,PSTEP=   -0.7404214772E-05   -0.7374653021E-05     739.5830100        0.9972270381E-08
J1,K1,R1,R2,RAT=   8   8   -0.1085374194E-01     2.010834934        0.9891462581    
FOB,PFOB,DIAG,PSTEP=   -0.6962131212E-05   -0.6887376700E-05     674.3175601        0.1021394351E-07
J1,K1,R1,R2,RAT=   9   9   -0.2099267075E-01     2.020943736        0.9790073292    
FOB,PFOB,DIAG,PSTEP=   -0.2262840549E-05   -0.2216313080E-05     628.2244341        0.3527986479E-08
J1,K1,R1,R2,RAT=  10  10    0.1742198591E-01     1.982634181        0.9825780141    
FOB,PFOB,DIAG,PSTEP=    0.2846239851E-05    0.2896704783E-05     602.9781843       -0.4803861087E-08
J1,K1,R1,R2,RAT=  11  11   -0.5311236015E-02     2.005342230        0.9946887640    
FOB,PFOB,DIAG,PSTEP=   -0.2007908712E-05   -0.1997300741E-05     587.3434322        0.3400514383E-08
J1,K1,R1,R2,RAT= 109 109    0.3669080620E-02     1.996243163        0.9962431629    
FOB,PFOB,DIAG,PSTEP=    0.7130095541E-04    0.7156353932E-04     13.83875009       -0.5171469899E-05
J1,K1,R1,R2,RAT= 110 110   -0.4939329245         206.1136878        0.5060670755    
FOB,PFOB,DIAG,PSTEP=    0.1264323788E-01    0.1258278598E-01     12.23888822       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3789798769         7.880943934        0.6210201231    
FOB,PFOB,DIAG,PSTEP=    0.3760592783E-03    0.4140543680E-03     10.02562197       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8340059164         204.1003344        0.1659940836    
FOB,PFOB,DIAG,PSTEP=   -0.1602866034E-01   -0.1589819907E-01     8.529535483        0.1833948362E-04
J1,K1,R1,R2,RAT= 113 113   -0.8076952955         280.9512577        0.1923047045    
FOB,PFOB,DIAG,PSTEP=   -0.3392517971E-01   -0.3373067864E-01     6.383299844        0.3772499428E-04
J1,K1,R1,R2,RAT= 114 114    0.9826147942        -1080.239533        0.1738520580E-01
FOB,PFOB,DIAG,PSTEP=   -0.8037679875       -0.8023070587         3.716941931       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001      0.00002      0.00002 
    -0.00002     -0.00001      0.00002      0.00003     -0.00001     -0.00003 
    -0.00004     -0.00002      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001      0.00001     -0.00001     -0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008     -0.00003     -0.00004     -0.00001 
    -0.00001     -0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00003     -0.00002      0.00005     -0.00002      0.00001      0.00005 
     0.00005      0.00006     -0.00001      0.00006     -0.00001      0.00001 
     0.00004      0.00006      0.00012     -0.00008      0.00003     -0.00011 
     0.00005      0.00013     -0.00007     -0.00006      0.00005     -0.00001 
     0.00007      0.01264      0.00038     -0.01603     -0.03393     -0.80377 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4071827575
 Log product of positive Hessian eigenvalues =          519.4240514442
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7169419311
 Unscaled step for mode    7=        0.0000000100
 Unscaled step for mode    8=        0.0000000103
 Unscaled step for mode    9=        0.0000000036
 Unscaled step for mode   10=       -0.0000000047
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000120
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000063
 Unscaled step for mode   15=       -0.0000000045
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000464
 Unscaled step for mode   20=       -0.0000000114
 Unscaled step for mode   21=       -0.0000000128
 Unscaled step for mode   22=        0.0000000294
 Unscaled step for mode   23=       -0.0000000053
 Unscaled step for mode   24=        0.0000000159
 Unscaled step for mode   25=        0.0000000675
 Unscaled step for mode   26=        0.0000001083
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000374
 Unscaled step for mode   29=       -0.0000000888
 Unscaled step for mode   30=        0.0000000781
 Unscaled step for mode   31=        0.0000000746
 Unscaled step for mode   32=        0.0000000367
 Unscaled step for mode   33=       -0.0000000538
 Unscaled step for mode   34=        0.0000000641
 Unscaled step for mode   35=       -0.0000000943
 Unscaled step for mode   36=       -0.0000000899
 Unscaled step for mode   37=        0.0000000810
 Unscaled step for mode   38=       -0.0000000170
 Unscaled step for mode   39=        0.0000000905
 Unscaled step for mode   40=        0.0000001140
 Unscaled step for mode   41=        0.0000002035
 Unscaled step for mode   42=        0.0000000863
 Unscaled step for mode   43=        0.0000000930
 Unscaled step for mode   44=        0.0000001812
 Unscaled step for mode   45=       -0.0000000191
 Unscaled step for mode   46=       -0.0000001640
 Unscaled step for mode   47=        0.0000001367
 Unscaled step for mode   48=       -0.0000000340
 Unscaled step for mode   49=       -0.0000001581
 Unscaled step for mode   50=        0.0000000393
 Unscaled step for mode   51=        0.0000001007
 Unscaled step for mode   52=        0.0000000410
 Unscaled step for mode   53=       -0.0000000877
 Unscaled step for mode   54=       -0.0000001412
 Unscaled step for mode   55=        0.0000001398
 Unscaled step for mode   56=        0.0000000448
 Unscaled step for mode   57=       -0.0000000991
 Unscaled step for mode   58=       -0.0000001795
 Unscaled step for mode   59=        0.0000000428
 Unscaled step for mode   60=        0.0000001753
 Unscaled step for mode   61=        0.0000002581
 Unscaled step for mode   62=        0.0000001776
 Unscaled step for mode   63=       -0.0000001399
 Unscaled step for mode   64=        0.0000003068
 Unscaled step for mode   65=        0.0000001908
 Unscaled step for mode   66=       -0.0000000913
 Unscaled step for mode   67=        0.0000001227
 Unscaled step for mode   68=       -0.0000000744
 Unscaled step for mode   69=        0.0000000699
 Unscaled step for mode   70=        0.0000002913
 Unscaled step for mode   71=       -0.0000000670
 Unscaled step for mode   72=       -0.0000007519
 Unscaled step for mode   73=        0.0000002889
 Unscaled step for mode   74=        0.0000002345
 Unscaled step for mode   75=       -0.0000008729
 Unscaled step for mode   76=        0.0000003237
 Unscaled step for mode   77=        0.0000004092
 Unscaled step for mode   78=        0.0000001560
 Unscaled step for mode   79=        0.0000000762
 Unscaled step for mode   80=        0.0000002463
 Unscaled step for mode   81=       -0.0000003452
 Unscaled step for mode   82=       -0.0000002038
 Unscaled step for mode   83=        0.0000001857
 Unscaled step for mode   84=       -0.0000007846
 Unscaled step for mode   85=        0.0000003886
 Unscaled step for mode   86=        0.0000002780
 Unscaled step for mode   87=       -0.0000007010
 Unscaled step for mode   88=        0.0000002409
 Unscaled step for mode   89=       -0.0000001250
 Unscaled step for mode   90=       -0.0000009179
 Unscaled step for mode   91=       -0.0000008168
 Unscaled step for mode   92=       -0.0000010915
 Unscaled step for mode   93=        0.0000001394
 Unscaled step for mode   94=       -0.0000010945
 Unscaled step for mode   95=        0.0000002121
 Unscaled step for mode   96=       -0.0000001300
 Unscaled step for mode   97=       -0.0000009739
 Unscaled step for mode   98=       -0.0000013811
 Unscaled step for mode   99=       -0.0000031719
 Unscaled step for mode  100=        0.0000022216
 Unscaled step for mode  101=       -0.0000007488
 Unscaled step for mode  102=        0.0000038040
 Unscaled step for mode  103=       -0.0000016164
 Unscaled step for mode  104=       -0.0000049847
 Unscaled step for mode  105=        0.0000030633
 Unscaled step for mode  106=        0.0000030249
 Unscaled step for mode  107=       -0.0000022455
 Unscaled step for mode  108=        0.0000004537
 Unscaled step for mode  109=       -0.0000051523
 Unscaled step for mode  110=       -0.0010330370
 Unscaled step for mode  111=       -0.0000375098
 Unscaled step for mode  112=        0.0018791884
 Unscaled step for mode  113=        0.0053145273
 Unscaled step for mode  114=       -0.2069803326
 Largest modulus ratio of non-zero e/values=           198.9762078    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.923307E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.914850E-15    0.100687E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.173527E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.818139E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.623115E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.136203E-15    0.974055E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.740421E-05    0.739583E+03  0.100113E-07 0.100000E-04    0.995992E+00
   8   -0.696213E-05    0.674318E+03  0.103247E-07 0.100000E-04    0.989146E+00
   9   -0.226284E-05    0.628224E+03  0.360196E-08 0.100000E-04    0.979007E+00
  10    0.284624E-05    0.602978E+03 -0.472030E-08 0.100000E-04    0.982578E+00
  11   -0.200791E-05    0.587343E+03  0.341863E-08 0.100000E-04    0.994689E+00
  12   -0.693161E-05    0.575537E+03  0.120437E-07 0.100000E-04    0.983457E+00
  13   -0.356231E-05    0.567020E+03  0.628251E-08 0.100000E-04    0.988064E+00
  14    0.303794E-05    0.485465E+03 -0.625779E-08 0.100000E-04    0.970338E+00
  15    0.207754E-05    0.462808E+03 -0.448899E-08 0.100000E-04    0.980808E+00
  16    0.740519E-05    0.460700E+03 -0.160738E-07 0.100000E-04    0.996736E+00
  17    0.423844E-05    0.441623E+03 -0.959743E-08 0.100000E-04    0.984785E+00
  18    0.445118E-05    0.429027E+03 -0.103750E-07 0.100000E-04    0.999430E+00
  19   -0.195721E-04    0.422087E+03  0.463698E-07 0.100000E-04    0.999910E+00
  20    0.466588E-05    0.408508E+03 -0.114218E-07 0.100000E-04    0.988156E+00
  21    0.508251E-05    0.396906E+03 -0.128053E-07 0.100000E-04    0.988791E+00
  22   -0.114164E-04    0.388526E+03  0.293838E-07 0.100000E-04    0.998491E+00
  23    0.195847E-05    0.368792E+03 -0.531050E-08 0.100000E-04    0.957596E+00
  24   -0.572883E-05    0.360963E+03  0.158710E-07 0.100000E-04    0.992216E+00
  25   -0.236309E-04    0.350112E+03  0.674951E-07 0.100000E-04    0.998358E+00
  26   -0.362805E-04    0.335058E+03  0.108281E-06 0.100000E-04    0.999368E+00
  27   -0.176735E-04    0.327421E+03  0.539779E-07 0.100000E-04    0.998929E+00
  28    0.120148E-04    0.321623E+03 -0.373568E-07 0.100000E-04    0.995890E+00
  29    0.284054E-04    0.319788E+03 -0.888259E-07 0.100000E-04    0.996697E+00
  30   -0.242847E-04    0.310785E+03  0.781399E-07 0.100000E-04    0.997553E+00
  31   -0.225680E-04    0.302502E+03  0.746043E-07 0.100000E-04    0.992358E+00
  32   -0.106197E-04    0.289553E+03  0.366763E-07 0.100000E-04    0.996793E+00
  33    0.149636E-04    0.278390E+03 -0.537504E-07 0.100000E-04    0.995781E+00
  34   -0.173986E-04    0.271486E+03  0.640867E-07 0.100000E-04    0.998531E+00
  35    0.252483E-04    0.267657E+03 -0.943306E-07 0.100000E-04    0.996557E+00
  36    0.237998E-04    0.264696E+03 -0.899138E-07 0.100000E-04    0.996407E+00
  37   -0.211780E-04    0.261357E+03  0.810309E-07 0.100000E-04    0.999598E+00
  38    0.432370E-05    0.253837E+03 -0.170334E-07 0.100000E-04    0.986078E+00
  39   -0.218847E-04    0.241829E+03  0.904968E-07 0.100000E-04    0.999602E+00
  40   -0.273042E-04    0.239499E+03  0.114006E-06 0.100000E-04    0.994339E+00
  41   -0.476304E-04    0.234019E+03  0.203532E-06 0.100000E-04    0.997947E+00
  42   -0.196816E-04    0.227953E+03  0.863407E-07 0.100000E-04    0.993036E+00
  43   -0.202996E-04    0.218196E+03  0.930336E-07 0.100000E-04    0.994460E+00
  44   -0.388721E-04    0.214469E+03  0.181248E-06 0.100000E-04    0.993805E+00
  45    0.405915E-05    0.212935E+03 -0.190629E-07 0.100000E-04    0.998725E+00
  46    0.339853E-04    0.207185E+03 -0.164033E-06 0.100000E-04    0.996650E+00
  47   -0.278262E-04    0.203492E+03  0.136743E-06 0.100000E-04    0.999900E+00
  48    0.669438E-05    0.196687E+03 -0.340357E-07 0.100000E-04    0.993656E+00
  49    0.308132E-04    0.194928E+03 -0.158075E-06 0.100000E-04    0.994620E+00
  50   -0.751939E-05    0.191367E+03  0.392931E-07 0.100000E-04    0.960751E+00
  51   -0.184557E-04    0.183362E+03  0.100652E-06 0.100000E-04    0.996319E+00
  52   -0.714391E-05    0.174231E+03  0.410026E-07 0.100000E-04    0.990012E+00
  53    0.151007E-04    0.172277E+03 -0.876535E-07 0.100000E-04    0.999465E+00
  54    0.236939E-04    0.167753E+03 -0.141243E-06 0.100000E-04    0.994529E+00
  55   -0.229590E-04    0.164220E+03  0.139806E-06 0.100000E-04    0.998526E+00
  56   -0.707407E-05    0.157929E+03  0.447927E-07 0.100000E-04    0.991969E+00
  57    0.153038E-04    0.154437E+03 -0.990938E-07 0.100000E-04    0.997945E+00
  58    0.272628E-04    0.151885E+03 -0.179496E-06 0.100000E-04    0.998946E+00
  59   -0.632932E-05    0.147762E+03  0.428345E-07 0.100000E-04    0.997558E+00
  60   -0.251435E-04    0.143464E+03  0.175260E-06 0.100000E-04    0.998077E+00
  61   -0.354827E-04    0.137463E+03  0.258126E-06 0.100000E-04    0.995430E+00
  62   -0.241408E-04    0.135938E+03  0.177587E-06 0.100000E-04    0.996685E+00
  63    0.182604E-04    0.130527E+03 -0.139897E-06 0.100000E-04    0.982948E+00
  64   -0.394226E-04    0.128479E+03  0.306840E-06 0.100000E-04    0.997314E+00
  65   -0.241244E-04    0.126468E+03  0.190755E-06 0.100000E-04    0.993663E+00
  66    0.114210E-04    0.125119E+03 -0.912812E-07 0.100000E-04    0.984207E+00
  67   -0.147162E-04    0.119892E+03  0.122745E-06 0.100000E-04    0.987301E+00
  68    0.878677E-05    0.118138E+03 -0.743774E-07 0.100000E-04    0.996691E+00
  69   -0.818994E-05    0.117112E+03  0.699324E-07 0.100000E-04    0.993330E+00
  70   -0.322008E-04    0.110544E+03  0.291293E-06 0.100000E-04    0.992301E+00
  71    0.719053E-05    0.107274E+03 -0.670295E-07 0.100000E-04    0.998111E+00
  72    0.785792E-04    0.104509E+03 -0.751890E-06 0.100000E-04    0.999694E+00
  73   -0.297719E-04    0.103036E+03  0.288948E-06 0.100000E-04    0.998709E+00
  74   -0.233809E-04    0.996859E+02  0.234546E-06 0.100000E-04    0.990986E+00
  75    0.836355E-04    0.958128E+02 -0.872905E-06 0.100000E-04    0.999744E+00
  76   -0.304000E-04    0.939249E+02  0.323662E-06 0.100000E-04    0.981940E+00
  77   -0.382843E-04    0.935494E+02  0.409242E-06 0.100000E-04    0.992921E+00
  78   -0.141755E-04    0.908597E+02  0.156016E-06 0.100000E-04    0.975626E+00
  79   -0.679293E-05    0.891751E+02  0.761751E-07 0.100000E-04    0.984705E+00
  80   -0.210015E-04    0.852679E+02  0.246300E-06 0.100000E-04    0.997289E+00
  81    0.279184E-04    0.808769E+02 -0.345196E-06 0.100000E-04    0.997341E+00
  82    0.163111E-04    0.800241E+02 -0.203827E-06 0.100000E-04    0.981115E+00
  83   -0.145138E-04    0.781780E+02  0.185651E-06 0.100000E-04    0.986051E+00
  84    0.573153E-04    0.730527E+02 -0.784575E-06 0.100000E-04    0.997258E+00
  85   -0.282246E-04    0.726257E+02  0.388631E-06 0.100000E-04    0.979299E+00
  86   -0.189564E-04    0.682004E+02  0.277951E-06 0.100000E-04    0.996092E+00
  87    0.459270E-04    0.655124E+02 -0.701043E-06 0.100000E-04    0.999698E+00
  88   -0.150760E-04    0.625698E+02  0.240947E-06 0.100000E-04    0.998871E+00
  89    0.749402E-05    0.599597E+02 -0.124984E-06 0.100000E-04    0.959242E+00
  90    0.545329E-04    0.594131E+02 -0.917860E-06 0.100000E-04    0.993493E+00
  91    0.480830E-04    0.588660E+02 -0.816821E-06 0.100000E-04    0.994591E+00
  92    0.611685E-04    0.560391E+02 -0.109153E-05 0.100000E-04    0.995618E+00
  93   -0.732982E-05    0.525717E+02  0.139425E-06 0.100000E-04    0.914362E+00
  94    0.572527E-04    0.523089E+02 -0.109451E-05 0.100000E-04    0.996163E+00
  95   -0.106095E-04    0.500124E+02  0.212138E-06 0.100000E-04    0.948464E+00
  96    0.611151E-05    0.470011E+02 -0.130029E-06 0.100000E-04    0.986706E+00
  97    0.418112E-04    0.429319E+02 -0.973895E-06 0.100000E-04    0.986165E+00
  98    0.561321E-04    0.406439E+02 -0.138107E-05 0.100000E-04    0.998028E+00
  99    0.119820E-03    0.377757E+02 -0.317189E-05 0.100000E-04    0.994379E+00
 100   -0.808485E-04    0.363918E+02  0.222161E-05 0.100000E-04    0.999945E+00
 101    0.250464E-04    0.334503E+02 -0.748763E-06 0.100000E-04    0.972537E+00
 102   -0.109503E-03    0.287867E+02  0.380396E-05 0.100000E-04    0.997888E+00
 103    0.461164E-04    0.285311E+02 -0.161635E-05 0.100000E-04    0.994566E+00
 104    0.133384E-03    0.267587E+02 -0.498470E-05 0.100000E-04    0.997243E+00
 105   -0.709933E-04    0.231756E+02  0.306328E-05 0.100000E-04    0.996660E+00
 106   -0.635498E-04    0.210088E+02  0.302492E-05 0.100000E-04    0.993745E+00
 107    0.460843E-04    0.205225E+02 -0.224554E-05 0.100000E-04    0.960145E+00
 108   -0.758824E-05    0.167250E+02  0.453707E-06 0.100000E-04    0.862904E+00
 109    0.713010E-04    0.138388E+02 -0.515227E-05 0.100000E-04    0.996243E+00
 110    0.126432E-01    0.122389E+02 -0.100000E-04 0.100000E-04    0.506067E+00
 111    0.376059E-03    0.100256E+02 -0.100000E-04 0.100000E-04    0.621020E+00
 112   -0.160287E-01    0.852954E+01  0.199900E-04 0.199900E-04    0.165994E+00
 113   -0.339252E-01    0.638330E+01  0.411202E-04 0.411202E-04    0.192305E+00
 114   -0.803768E+00    0.371694E+01 -0.400000E-03 0.400000E-03    0.173852E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2069803326    

 Beginning of optimization cycle  426.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3284556347
 potential> RMS force:                                               0.0755084931   |gradient|=.8062100891    
 Eigenvalues of the Hessian matrix:
   739.65043    674.32371    628.24026    602.96087    587.33426    575.57883 
   567.01554    485.49198    462.78418    460.69374    441.62602    429.02170 
   422.08839    408.51005    396.90098    388.52015    368.80378    360.95551 
   350.10407    335.05382    327.43948    321.62777    319.77571    310.76945 
   302.48428    289.56371    278.38729    271.49710    267.66483    264.69870 
   261.38008    253.83271    241.82386    239.51203    234.01146    227.94563 
   218.17592    214.47567    212.94157    207.18713    203.48946    196.67630 
   194.92402    191.36492    183.35330    174.22482    172.27921    167.75681 
   164.21016    157.91710    154.44208    151.89032    147.75183    143.46549 
   137.46778    135.93835    130.52591    128.48342    126.47284    125.11194 
   119.89323    118.13824    117.11245    110.54024    107.26930    104.50684 
   103.03411     99.68504     95.81526     93.93226     93.53235     90.86325 
    89.16856     85.27093     80.87634     80.02661     78.17666     73.05655 
    72.62906     68.19915     65.50341     62.55926     59.96051     59.41117 
    58.85969     56.03859     52.57069     52.30816     50.01244     46.99399 
    42.93397     40.64683     37.77863     36.39345     33.43754     28.78664 
    28.52987     26.75148     23.17761     21.01131     20.51644     16.72340 
    13.83937     12.23893     10.02685      8.52815      6.37462      3.71114 
overlap for current and previous eigenvector    109 is         0.9999998055
overlap for current and previous eigenvector    110 is         0.9999996969
overlap for current and previous eigenvector    111 is         0.9999997513
overlap for current and previous eigenvector    112 is         0.9999989552
overlap for current and previous eigenvector    113 is        -0.9999987912
overlap for current and previous eigenvector    114 is        -0.9999996269
J1,K1,R1,R2,RAT=   7   7   -0.5142821580E-02     2.004960528        0.9948571784    
FOB,PFOB,DIAG,PSTEP=   -0.7442296799E-05   -0.7404214772E-05     739.6504267        0.1001133703E-07
J1,K1,R1,R2,RAT=   8   8   -0.9193314300E-02     2.009175069        0.9908066857    
FOB,PFOB,DIAG,PSTEP=   -0.7026136857E-05   -0.6962131212E-05     674.3237117        0.1032470697E-07
J1,K1,R1,R2,RAT=   9   9   -0.5799404258E-01     2.057943654        0.9420059574    
FOB,PFOB,DIAG,PSTEP=   -0.2394075126E-05   -0.2262840549E-05     628.2402621        0.3601962016E-08
J1,K1,R1,R2,RAT=  10  10   -0.1874681715E-02     2.001932110        0.9981253183    
FOB,PFOB,DIAG,PSTEP=    0.2851575491E-05    0.2846239851E-05     602.9608707       -0.4720303196E-08
J1,K1,R1,R2,RAT=  11  11    0.1892313694E-01     1.981108084        0.9810768631    
FOB,PFOB,DIAG,PSTEP=   -0.1969913374E-05   -0.2007908712E-05     587.3342636        0.3418628015E-08
J1,K1,R1,R2,RAT= 109 109   -0.1739032431E-01     2.017300908        0.9826096757    
FOB,PFOB,DIAG,PSTEP=    0.7254095758E-04    0.7130095541E-04     13.83936883       -0.5152268444E-05
J1,K1,R1,R2,RAT= 110 110   -0.4768609065         207.0837541        0.5231390935    
FOB,PFOB,DIAG,PSTEP=    0.1270160056E-01    0.1264323788E-01     12.23893132       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3712252451         7.129816933        0.6287747549    
FOB,PFOB,DIAG,PSTEP=    0.3388370645E-03    0.3760592783E-03     10.02685412       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7557781874         188.7995030        0.2442218126    
FOB,PFOB,DIAG,PSTEP=   -0.1615750390E-01   -0.1602866034E-01     8.528148916        0.1999003715E-04
J1,K1,R1,R2,RAT= 113 113     259.6256071       -0.7791920370        0.2208079630    
FOB,PFOB,DIAG,PSTEP=    0.3412942615E-01   -0.3392517971E-01     6.374620241        0.4112024376E-04
J1,K1,R1,R2,RAT= 114 114    -1083.893533        0.9814875399        0.1851246014E-01
FOB,PFOB,DIAG,PSTEP=    0.8052249632       -0.8037679875         3.711141598       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00001     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001      0.00002      0.00002 
    -0.00002     -0.00001     -0.00002     -0.00003     -0.00001     -0.00003 
     0.00004      0.00002     -0.00002      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001     -0.00003      0.00001      0.00008 
     0.00003      0.00002      0.00008     -0.00003      0.00004     -0.00001 
    -0.00001     -0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00003     -0.00002      0.00005      0.00002      0.00001      0.00005 
     0.00005      0.00006      0.00001     -0.00006      0.00001     -0.00001 
    -0.00004      0.00006      0.00012      0.00008      0.00002     -0.00011 
     0.00005     -0.00013      0.00007      0.00006     -0.00005     -0.00001 
     0.00007      0.01270      0.00034     -0.01616      0.03413      0.80522 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4069383034
 Log product of positive Hessian eigenvalues =          519.4196848523
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7111415977
 Unscaled step for mode    7=        0.0000000101
 Unscaled step for mode    8=        0.0000000104
 Unscaled step for mode    9=        0.0000000038
 Unscaled step for mode   10=       -0.0000000047
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000124
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000065
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000094
 Unscaled step for mode   18=       -0.0000000101
 Unscaled step for mode   19=        0.0000000463
 Unscaled step for mode   20=       -0.0000000111
 Unscaled step for mode   21=       -0.0000000125
 Unscaled step for mode   22=        0.0000000297
 Unscaled step for mode   23=       -0.0000000057
 Unscaled step for mode   24=        0.0000000162
 Unscaled step for mode   25=        0.0000000674
 Unscaled step for mode   26=        0.0000001082
 Unscaled step for mode   27=        0.0000000537
 Unscaled step for mode   28=       -0.0000000370
 Unscaled step for mode   29=       -0.0000000892
 Unscaled step for mode   30=        0.0000000785
 Unscaled step for mode   31=        0.0000000751
 Unscaled step for mode   32=        0.0000000373
 Unscaled step for mode   33=       -0.0000000538
 Unscaled step for mode   34=        0.0000000643
 Unscaled step for mode   35=       -0.0000000947
 Unscaled step for mode   36=       -0.0000000907
 Unscaled step for mode   37=        0.0000000809
 Unscaled step for mode   38=       -0.0000000173
 Unscaled step for mode   39=        0.0000000904
 Unscaled step for mode   40=        0.0000001153
 Unscaled step for mode   41=        0.0000002042
 Unscaled step for mode   42=        0.0000000876
 Unscaled step for mode   43=        0.0000000934
 Unscaled step for mode   44=        0.0000001830
 Unscaled step for mode   45=       -0.0000000194
 Unscaled step for mode   46=       -0.0000001648
 Unscaled step for mode   47=        0.0000001370
 Unscaled step for mode   48=       -0.0000000335
 Unscaled step for mode   49=       -0.0000001586
 Unscaled step for mode   50=        0.0000000380
 Unscaled step for mode   51=        0.0000001004
 Unscaled step for mode   52=        0.0000000410
 Unscaled step for mode   53=       -0.0000000873
 Unscaled step for mode   54=       -0.0000001413
 Unscaled step for mode   55=        0.0000001405
 Unscaled step for mode   56=        0.0000000461
 Unscaled step for mode   57=        0.0000000987
 Unscaled step for mode   58=        0.0000001799
 Unscaled step for mode   59=        0.0000000438
 Unscaled step for mode   60=        0.0000001747
 Unscaled step for mode   61=       -0.0000002569
 Unscaled step for mode   62=       -0.0000001775
 Unscaled step for mode   63=        0.0000001375
 Unscaled step for mode   64=       -0.0000003076
 Unscaled step for mode   65=        0.0000001888
 Unscaled step for mode   66=       -0.0000000906
 Unscaled step for mode   67=        0.0000001255
 Unscaled step for mode   68=        0.0000000736
 Unscaled step for mode   69=       -0.0000000698
 Unscaled step for mode   70=        0.0000002929
 Unscaled step for mode   71=       -0.0000000677
 Unscaled step for mode   72=       -0.0000007539
 Unscaled step for mode   73=       -0.0000002878
 Unscaled step for mode   74=       -0.0000002331
 Unscaled step for mode   75=       -0.0000008715
 Unscaled step for mode   76=        0.0000003174
 Unscaled step for mode   77=       -0.0000004135
 Unscaled step for mode   78=        0.0000001546
 Unscaled step for mode   79=        0.0000000761
 Unscaled step for mode   80=        0.0000002452
 Unscaled step for mode   81=       -0.0000003471
 Unscaled step for mode   82=       -0.0000002070
 Unscaled step for mode   83=        0.0000001831
 Unscaled step for mode   84=       -0.0000007841
 Unscaled step for mode   85=        0.0000003806
 Unscaled step for mode   86=        0.0000002771
 Unscaled step for mode   87=       -0.0000006976
 Unscaled step for mode   88=       -0.0000002486
 Unscaled step for mode   89=       -0.0000001285
 Unscaled step for mode   90=       -0.0000009089
 Unscaled step for mode   91=       -0.0000008158
 Unscaled step for mode   92=       -0.0000010920
 Unscaled step for mode   93=       -0.0000001536
 Unscaled step for mode   94=        0.0000010949
 Unscaled step for mode   95=       -0.0000002071
 Unscaled step for mode   96=        0.0000001290
 Unscaled step for mode   97=        0.0000009577
 Unscaled step for mode   98=       -0.0000013773
 Unscaled step for mode   99=       -0.0000031521
 Unscaled step for mode  100=       -0.0000022047
 Unscaled step for mode  101=       -0.0000007157
 Unscaled step for mode  102=        0.0000037987
 Unscaled step for mode  103=       -0.0000016313
 Unscaled step for mode  104=        0.0000050239
 Unscaled step for mode  105=       -0.0000030306
 Unscaled step for mode  106=       -0.0000029388
 Unscaled step for mode  107=        0.0000022548
 Unscaled step for mode  108=        0.0000003192
 Unscaled step for mode  109=       -0.0000052416
 Unscaled step for mode  110=       -0.0010378020
 Unscaled step for mode  111=       -0.0000337930
 Unscaled step for mode  112=        0.0018946018
 Unscaled step for mode  113=       -0.0053538009
 Unscaled step for mode  114=        0.2076218948
 Largest modulus ratio of non-zero e/values=           199.3053639    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.287964E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.127925E-14    0.100686E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.513849E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.609881E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.632957E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.261632E-15    0.974057E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.744230E-05    0.739650E+03  0.100619E-07 0.100000E-04    0.994857E+00
   8   -0.702614E-05    0.674324E+03  0.104195E-07 0.100000E-04    0.990807E+00
   9   -0.239408E-05    0.628240E+03  0.381076E-08 0.100000E-04    0.942006E+00
  10    0.285158E-05    0.602961E+03 -0.472929E-08 0.100000E-04    0.998125E+00
  11   -0.196991E-05    0.587334E+03  0.335399E-08 0.100000E-04    0.981077E+00
  12   -0.712915E-05    0.575579E+03  0.123861E-07 0.100000E-04    0.971502E+00
  13   -0.353168E-05    0.567016E+03  0.622854E-08 0.100000E-04    0.991402E+00
  14    0.315017E-05    0.485492E+03 -0.648862E-08 0.100000E-04    0.963057E+00
  15    0.202478E-05    0.462784E+03 -0.437522E-08 0.100000E-04    0.974605E+00
  16    0.737169E-05    0.460694E+03 -0.160013E-07 0.100000E-04    0.995476E+00
  17    0.413974E-05    0.441626E+03 -0.937385E-08 0.100000E-04    0.976698E+00
  18    0.434943E-05    0.429022E+03 -0.101380E-07 0.100000E-04    0.977141E+00
  19   -0.195636E-04    0.422088E+03  0.463494E-07 0.100000E-04    0.999558E+00
  20    0.454336E-05    0.408510E+03 -0.111218E-07 0.100000E-04    0.973729E+00
  21    0.497742E-05    0.396901E+03 -0.125407E-07 0.100000E-04    0.979324E+00
  22   -0.115328E-04    0.388520E+03  0.296838E-07 0.100000E-04    0.989803E+00
  23    0.209606E-05    0.368804E+03 -0.568340E-08 0.100000E-04    0.929749E+00
  24   -0.584523E-05    0.360956E+03  0.161938E-07 0.100000E-04    0.979682E+00
  25   -0.235981E-04    0.350104E+03  0.674031E-07 0.100000E-04    0.998613E+00
  26   -0.362473E-04    0.335054E+03  0.108183E-06 0.100000E-04    0.999084E+00
  27   -0.175950E-04    0.327439E+03  0.537351E-07 0.100000E-04    0.995447E+00
  28    0.119135E-04    0.321628E+03 -0.370413E-07 0.100000E-04    0.991542E+00
  29    0.285285E-04    0.319776E+03 -0.892142E-07 0.100000E-04    0.995667E+00
  30   -0.243810E-04    0.310769E+03  0.784535E-07 0.100000E-04    0.996035E+00
  31   -0.227018E-04    0.302484E+03  0.750511E-07 0.100000E-04    0.994071E+00
  32   -0.108008E-04    0.289564E+03  0.373002E-07 0.100000E-04    0.982949E+00
  33    0.149828E-04    0.278387E+03 -0.538201E-07 0.100000E-04    0.998711E+00
  34   -0.174706E-04    0.271497E+03  0.643491E-07 0.100000E-04    0.995862E+00
  35    0.253483E-04    0.267665E+03 -0.947016E-07 0.100000E-04    0.996039E+00
  36    0.240163E-04    0.264699E+03 -0.907306E-07 0.100000E-04    0.990907E+00
  37   -0.211341E-04    0.261380E+03  0.808557E-07 0.100000E-04    0.997749E+00
  38    0.440025E-05    0.253833E+03 -0.173353E-07 0.100000E-04    0.982294E+00
  39   -0.218524E-04    0.241824E+03  0.903651E-07 0.100000E-04    0.998524E+00
  40   -0.276149E-04    0.239512E+03  0.115297E-06 0.100000E-04    0.988621E+00
  41   -0.477833E-04    0.234011E+03  0.204192E-06 0.100000E-04    0.996788E+00
  42   -0.199618E-04    0.227946E+03  0.875727E-07 0.100000E-04    0.985764E+00
  43   -0.203773E-04    0.218176E+03  0.933986E-07 0.100000E-04    0.996169E+00
  44   -0.392384E-04    0.214476E+03  0.182950E-06 0.100000E-04    0.990578E+00
  45    0.413574E-05    0.212942E+03 -0.194220E-07 0.100000E-04    0.981131E+00
  46    0.341420E-04    0.207187E+03 -0.164788E-06 0.100000E-04    0.995389E+00
  47   -0.278722E-04    0.203489E+03  0.136971E-06 0.100000E-04    0.998347E+00
  48    0.659495E-05    0.196676E+03 -0.335320E-07 0.100000E-04    0.985146E+00
  49    0.309153E-04    0.194924E+03 -0.158602E-06 0.100000E-04    0.996685E+00
  50   -0.726516E-05    0.191365E+03  0.379650E-07 0.100000E-04    0.966191E+00
  51   -0.184140E-04    0.183353E+03  0.100429E-06 0.100000E-04    0.997739E+00
  52   -0.714315E-05    0.174225E+03  0.409996E-07 0.100000E-04    0.999894E+00
  53    0.150352E-04    0.172279E+03 -0.872720E-07 0.100000E-04    0.995632E+00
  54    0.237121E-04    0.167757E+03 -0.141348E-06 0.100000E-04    0.999233E+00
  55   -0.230695E-04    0.164210E+03  0.140488E-06 0.100000E-04    0.995184E+00
  56   -0.728330E-05    0.157917E+03  0.461210E-07 0.100000E-04    0.970421E+00
  57   -0.152424E-04    0.154442E+03  0.986935E-07 0.100000E-04    0.995930E+00
  58   -0.273254E-04    0.151890E+03  0.179902E-06 0.100000E-04    0.997704E+00
  59   -0.646950E-05    0.147752E+03  0.437863E-07 0.100000E-04    0.977850E+00
  60   -0.250667E-04    0.143465E+03  0.174723E-06 0.100000E-04    0.996923E+00
  61    0.353150E-04    0.137468E+03 -0.256896E-06 0.100000E-04    0.995203E+00
  62    0.241285E-04    0.135938E+03 -0.177496E-06 0.100000E-04    0.999488E+00
  63   -0.179486E-04    0.130526E+03  0.137510E-06 0.100000E-04    0.982925E+00
  64    0.395245E-04    0.128483E+03 -0.307623E-06 0.100000E-04    0.997416E+00
  65   -0.238799E-04    0.126473E+03  0.188815E-06 0.100000E-04    0.989794E+00
  66    0.113317E-04    0.125112E+03 -0.905726E-07 0.100000E-04    0.992183E+00
  67   -0.150409E-04    0.119893E+03  0.125453E-06 0.100000E-04    0.977934E+00
  68   -0.869276E-05    0.118138E+03  0.735813E-07 0.100000E-04    0.989292E+00
  69    0.817082E-05    0.117112E+03 -0.697691E-07 0.100000E-04    0.997663E+00
  70   -0.323722E-04    0.110540E+03  0.292854E-06 0.100000E-04    0.994677E+00
  71    0.725879E-05    0.107269E+03 -0.676688E-07 0.100000E-04    0.990507E+00
  72    0.787867E-04    0.104507E+03 -0.753890E-06 0.100000E-04    0.997360E+00
  73    0.296489E-04    0.103034E+03 -0.287758E-06 0.100000E-04    0.995867E+00
  74    0.232387E-04    0.996850E+02 -0.233121E-06 0.100000E-04    0.993918E+00
  75    0.835075E-04    0.958153E+02 -0.871547E-06 0.100000E-04    0.998419E+00
  76   -0.298170E-04    0.939323E+02  0.317431E-06 0.100000E-04    0.980669E+00
  77    0.386797E-04    0.935323E+02 -0.413544E-06 0.100000E-04    0.989671E+00
  78   -0.140506E-04    0.908632E+02  0.154635E-06 0.100000E-04    0.991112E+00
  79   -0.678887E-05    0.891686E+02  0.761352E-07 0.100000E-04    0.999402E+00
  80   -0.209089E-04    0.852709E+02  0.245205E-06 0.100000E-04    0.995520E+00
  81    0.280758E-04    0.808763E+02 -0.347145E-06 0.100000E-04    0.994363E+00
  82    0.165691E-04    0.800266E+02 -0.207045E-06 0.100000E-04    0.984179E+00
  83   -0.143123E-04    0.781767E+02  0.183076E-06 0.100000E-04    0.986115E+00
  84    0.572841E-04    0.730566E+02 -0.784107E-06 0.100000E-04    0.999351E+00
  85   -0.276458E-04    0.726291E+02  0.380644E-06 0.100000E-04    0.979403E+00
  86   -0.188981E-04    0.681992E+02  0.277102E-06 0.100000E-04    0.996925E+00
  87    0.456980E-04    0.655034E+02 -0.697643E-06 0.100000E-04    0.995012E+00
  88    0.155503E-04    0.625593E+02 -0.248569E-06 0.100000E-04    0.968531E+00
  89    0.770236E-05    0.599605E+02 -0.128457E-06 0.100000E-04    0.972200E+00
  90    0.539972E-04    0.594112E+02 -0.908872E-06 0.100000E-04    0.990176E+00
  91    0.480171E-04    0.588597E+02 -0.815789E-06 0.100000E-04    0.998630E+00
  92    0.611926E-04    0.560386E+02 -0.109197E-05 0.100000E-04    0.999606E+00
  93    0.807644E-05    0.525707E+02 -0.153630E-06 0.100000E-04    0.898137E+00
  94   -0.572727E-04    0.523082E+02  0.109491E-05 0.100000E-04    0.999650E+00
  95    0.103590E-04    0.500124E+02 -0.207129E-06 0.100000E-04    0.976387E+00
  96   -0.606284E-05    0.469940E+02  0.129013E-06 0.100000E-04    0.992036E+00
  97   -0.411159E-04    0.429340E+02  0.957655E-06 0.100000E-04    0.983276E+00
  98    0.559842E-04    0.406468E+02 -0.137733E-05 0.100000E-04    0.997223E+00
  99    0.119080E-03    0.377786E+02 -0.315205E-05 0.100000E-04    0.993667E+00
 100    0.802379E-04    0.363935E+02 -0.220473E-05 0.100000E-04    0.992357E+00
 101    0.239313E-04    0.334375E+02 -0.715701E-06 0.100000E-04    0.955462E+00
 102   -0.109351E-03    0.287866E+02  0.379867E-05 0.100000E-04    0.998607E+00
 103    0.465397E-04    0.285299E+02 -0.163126E-05 0.100000E-04    0.990821E+00
 104   -0.134396E-03    0.267515E+02  0.502386E-05 0.100000E-04    0.992415E+00
 105    0.702417E-04    0.231776E+02 -0.303058E-05 0.100000E-04    0.989240E+00
 106    0.617481E-04    0.210113E+02 -0.293880E-05 0.100000E-04    0.971411E+00
 107   -0.462596E-04    0.205164E+02  0.225476E-05 0.100000E-04    0.996194E+00
 108   -0.533738E-05    0.167234E+02  0.319156E-06 0.100000E-04    0.703347E+00
 109    0.725410E-04    0.138394E+02 -0.524164E-05 0.100000E-04    0.982610E+00
 110    0.127016E-01    0.122389E+02 -0.100000E-04 0.100000E-04    0.523139E+00
 111    0.338837E-03    0.100269E+02 -0.100000E-04 0.100000E-04    0.628775E+00
 112   -0.161575E-01    0.852815E+01  0.180090E-04 0.180090E-04    0.244222E+00
 113    0.341294E-01    0.637462E+01 -0.370453E-04 0.370453E-04    0.220808E+00
 114    0.805225E+00    0.371114E+01  0.400000E-03 0.400000E-03    0.185125E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2076218948    

 Beginning of optimization cycle  427.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3281349286
 potential> RMS force:                                               0.0756458297   |gradient|=.8076764428    
 Eigenvalues of the Hessian matrix:
   739.71761    674.33011    628.25564    602.94382    587.32525    575.62006 
   567.01123    485.51901    462.76099    460.68751    441.62928    429.01608 
   422.08943    408.51293    396.89603    388.51442    368.81535    360.94810 
   350.09602    335.04936    327.45759    321.63222    319.76335    310.75457 
   302.46608    289.57483    278.38486    271.50872    267.67232    264.70093 
   261.40327    253.82891    241.81893    239.52506    234.00366    227.93810 
   218.15589    214.48232    212.94823    207.18886    203.48674    196.66564 
   194.92032    191.36320    183.34428    174.21889    172.28172    167.76027 
   164.20048    157.90513    154.44666    151.89602    147.74150    143.46709 
   137.47250    135.93820    130.52459    128.48749    126.47734    125.10539 
   119.89449    118.13876    117.11265    110.53616    107.26465    104.50465 
   103.03246     99.68420     95.81783     93.93955     93.51529     90.86669 
    89.16205     85.27383     80.87573     80.02902     78.17528     73.06050 
    72.63256     68.19791     65.49460     62.54870     59.96125     59.40937 
    58.85329     56.03809     52.56971     52.30743     50.01240     46.98697 
    42.93597     40.64974     37.78153     36.39508     33.42483     28.78655 
    28.52859     26.74419     23.17963     21.01395     20.51018     16.72180 
    13.83997     12.23898     10.02810      8.52649      6.36585      3.70535 
overlap for current and previous eigenvector    109 is        -0.9999998045
overlap for current and previous eigenvector    110 is        -0.9999996955
overlap for current and previous eigenvector    111 is        -0.9999997569
overlap for current and previous eigenvector    112 is        -0.9999988688
overlap for current and previous eigenvector    113 is         0.9999987264
overlap for current and previous eigenvector    114 is         0.9999996556
J1,K1,R1,R2,RAT=   7   7   -0.3963302726E-02     2.003781661        0.9960366973    
FOB,PFOB,DIAG,PSTEP=   -0.7471795553E-05   -0.7442296799E-05     739.7176086        0.1006191105E-07
J1,K1,R1,R2,RAT=   8   8    0.4302505696E-02     1.995678522        0.9956785223    
FOB,PFOB,DIAG,PSTEP=   -0.6995906576E-05   -0.7026136857E-05     674.3301084        0.1041953106E-07
J1,K1,R1,R2,RAT=   9   9    0.4351665900E-01     1.956434399        0.9564343986    
FOB,PFOB,DIAG,PSTEP=   -0.2289890426E-05   -0.2394075126E-05     628.2556363        0.3810763606E-08
J1,K1,R1,R2,RAT=  10  10   -0.1084950217E-01     2.010906062        0.9891504978    
FOB,PFOB,DIAG,PSTEP=    0.2882512791E-05    0.2851575491E-05     602.9438194       -0.4729287802E-08
J1,K1,R1,R2,RAT=  11  11   -0.3854353906E-01     2.038574240        0.9614564609    
FOB,PFOB,DIAG,PSTEP=   -0.2045839641E-05   -0.1969913374E-05     587.3252477        0.3353990216E-08
J1,K1,R1,R2,RAT= 109 109     1.975567254        0.2434519920E-01    0.9755672537    
FOB,PFOB,DIAG,PSTEP=   -0.7077485621E-04    0.7254095758E-04     13.83997465       -0.5241637714E-05
J1,K1,R1,R2,RAT= 110 110     208.0571909       -0.4973220435        0.5026779565    
FOB,PFOB,DIAG,PSTEP=   -0.1276246768E-01    0.1270160056E-01     12.23897531       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     6.377198555        0.3805532568        0.6194467432    
FOB,PFOB,DIAG,PSTEP=   -0.3006748022E-03    0.3388370645E-03     10.02810029       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     211.3041978       -0.8569782112        0.1430217888    
FOB,PFOB,DIAG,PSTEP=    0.1628909632E-01   -0.1615750390E-01     8.526493210        0.1800904248E-04
J1,K1,R1,R2,RAT= 113 113   -0.8391364274         290.2867801        0.1608635726    
FOB,PFOB,DIAG,PSTEP=    0.3432731510E-01    0.3412942615E-01     6.365847958       -0.3704526465E-04
J1,K1,R1,R2,RAT= 114 114    0.9824681959        -1087.553309        0.1753180407E-01
FOB,PFOB,DIAG,PSTEP=    0.8066811185        0.8052249632         3.705349587        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00002      0.00003      0.00001      0.00003 
    -0.00004     -0.00002      0.00002     -0.00004     -0.00002      0.00001 
    -0.00001     -0.00001      0.00001     -0.00003      0.00001      0.00008 
    -0.00003      0.00002      0.00008     -0.00003     -0.00004      0.00001 
    -0.00001     -0.00002     -0.00003     -0.00002     -0.00001     -0.00006 
    -0.00003     -0.00002     -0.00005     -0.00002     -0.00001     -0.00005 
    -0.00005     -0.00006     -0.00001      0.00006     -0.00001      0.00001 
     0.00004     -0.00006     -0.00012     -0.00008     -0.00002      0.00011 
    -0.00005      0.00013     -0.00007     -0.00006      0.00004      0.00001 
    -0.00007     -0.01276     -0.00030      0.01629      0.03433      0.80668 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4066963072
 Log product of positive Hessian eigenvalues =          519.4152609154
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.7053495867
 Unscaled step for mode    7=        0.0000000101
 Unscaled step for mode    8=        0.0000000104
 Unscaled step for mode    9=        0.0000000036
 Unscaled step for mode   10=       -0.0000000048
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000121
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000064
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000466
 Unscaled step for mode   20=       -0.0000000113
 Unscaled step for mode   21=       -0.0000000127
 Unscaled step for mode   22=        0.0000000295
 Unscaled step for mode   23=       -0.0000000053
 Unscaled step for mode   24=        0.0000000160
 Unscaled step for mode   25=        0.0000000678
 Unscaled step for mode   26=        0.0000001084
 Unscaled step for mode   27=        0.0000000540
 Unscaled step for mode   28=       -0.0000000372
 Unscaled step for mode   29=       -0.0000000898
 Unscaled step for mode   30=        0.0000000780
 Unscaled step for mode   31=        0.0000000751
 Unscaled step for mode   32=        0.0000000370
 Unscaled step for mode   33=       -0.0000000539
 Unscaled step for mode   34=        0.0000000646
 Unscaled step for mode   35=       -0.0000000944
 Unscaled step for mode   36=       -0.0000000903
 Unscaled step for mode   37=        0.0000000811
 Unscaled step for mode   38=       -0.0000000174
 Unscaled step for mode   39=        0.0000000907
 Unscaled step for mode   40=        0.0000001153
 Unscaled step for mode   41=        0.0000002040
 Unscaled step for mode   42=        0.0000000870
 Unscaled step for mode   43=        0.0000000932
 Unscaled step for mode   44=        0.0000001824
 Unscaled step for mode   45=       -0.0000000200
 Unscaled step for mode   46=       -0.0000001647
 Unscaled step for mode   47=        0.0000001361
 Unscaled step for mode   48=       -0.0000000342
 Unscaled step for mode   49=       -0.0000001585
 Unscaled step for mode   50=        0.0000000393
 Unscaled step for mode   51=        0.0000001008
 Unscaled step for mode   52=        0.0000000416
 Unscaled step for mode   53=        0.0000000879
 Unscaled step for mode   54=        0.0000001420
 Unscaled step for mode   55=       -0.0000001403
 Unscaled step for mode   56=       -0.0000000447
 Unscaled step for mode   57=       -0.0000001001
 Unscaled step for mode   58=       -0.0000001798
 Unscaled step for mode   59=       -0.0000000434
 Unscaled step for mode   60=       -0.0000001757
 Unscaled step for mode   61=        0.0000002594
 Unscaled step for mode   62=        0.0000001766
 Unscaled step for mode   63=       -0.0000001388
 Unscaled step for mode   64=        0.0000003089
 Unscaled step for mode   65=        0.0000001914
 Unscaled step for mode   66=       -0.0000000899
 Unscaled step for mode   67=        0.0000001240
 Unscaled step for mode   68=        0.0000000744
 Unscaled step for mode   69=       -0.0000000708
 Unscaled step for mode   70=        0.0000002918
 Unscaled step for mode   71=       -0.0000000667
 Unscaled step for mode   72=       -0.0000007558
 Unscaled step for mode   73=        0.0000002889
 Unscaled step for mode   74=       -0.0000002334
 Unscaled step for mode   75=       -0.0000008734
 Unscaled step for mode   76=        0.0000003144
 Unscaled step for mode   77=        0.0000004175
 Unscaled step for mode   78=       -0.0000001591
 Unscaled step for mode   79=        0.0000000755
 Unscaled step for mode   80=        0.0000002456
 Unscaled step for mode   81=        0.0000003467
 Unscaled step for mode   82=        0.0000002067
 Unscaled step for mode   83=        0.0000001852
 Unscaled step for mode   84=        0.0000007898
 Unscaled step for mode   85=        0.0000003820
 Unscaled step for mode   86=        0.0000002824
 Unscaled step for mode   87=        0.0000007039
 Unscaled step for mode   88=        0.0000002439
 Unscaled step for mode   89=        0.0000001238
 Unscaled step for mode   90=        0.0000009075
 Unscaled step for mode   91=        0.0000008346
 Unscaled step for mode   92=        0.0000010906
 Unscaled step for mode   93=        0.0000001587
 Unscaled step for mode   94=       -0.0000010947
 Unscaled step for mode   95=        0.0000002071
 Unscaled step for mode   96=       -0.0000001393
 Unscaled step for mode   97=       -0.0000009770
 Unscaled step for mode   98=        0.0000013897
 Unscaled step for mode   99=        0.0000031701
 Unscaled step for mode  100=        0.0000022179
 Unscaled step for mode  101=        0.0000007470
 Unscaled step for mode  102=       -0.0000038163
 Unscaled step for mode  103=        0.0000016254
 Unscaled step for mode  104=       -0.0000050142
 Unscaled step for mode  105=        0.0000030834
 Unscaled step for mode  106=        0.0000030553
 Unscaled step for mode  107=       -0.0000021829
 Unscaled step for mode  108=       -0.0000004726
 Unscaled step for mode  109=        0.0000051138
 Unscaled step for mode  110=        0.0010427714
 Unscaled step for mode  111=        0.0000299832
 Unscaled step for mode  112=       -0.0019104028
 Unscaled step for mode  113=       -0.0053922615
 Unscaled step for mode  114=        0.2082643195
 Largest modulus ratio of non-zero e/values=           199.6350388    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.737257E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.202941E-14    0.100686E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.969908E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.126700E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.215052E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.344451E-15    0.974059E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.747180E-05    0.739718E+03  0.101009E-07 0.100000E-04    0.996037E+00
   8   -0.699591E-05    0.674330E+03  0.103746E-07 0.100000E-04    0.995679E+00
   9   -0.228989E-05    0.628256E+03  0.364484E-08 0.100000E-04    0.956434E+00
  10    0.288251E-05    0.602944E+03 -0.478073E-08 0.100000E-04    0.989150E+00
  11   -0.204584E-05    0.587325E+03  0.348332E-08 0.100000E-04    0.961456E+00
  12   -0.698648E-05    0.575620E+03  0.121373E-07 0.100000E-04    0.979846E+00
  13   -0.356944E-05    0.567011E+03  0.629519E-08 0.100000E-04    0.989308E+00
  14    0.312191E-05    0.485519E+03 -0.643004E-08 0.100000E-04    0.990916E+00
  15    0.211502E-05    0.462761E+03 -0.457044E-08 0.100000E-04    0.955431E+00
  16    0.742849E-05    0.460688E+03 -0.161248E-07 0.100000E-04    0.992295E+00
  17    0.424957E-05    0.441629E+03 -0.962249E-08 0.100000E-04    0.973468E+00
  18    0.446557E-05    0.429016E+03 -0.104089E-07 0.100000E-04    0.973297E+00
  19   -0.196501E-04    0.422089E+03  0.465543E-07 0.100000E-04    0.995577E+00
  20    0.462805E-05    0.408513E+03 -0.113290E-07 0.100000E-04    0.981361E+00
  21    0.504715E-05    0.396896E+03 -0.127166E-07 0.100000E-04    0.985991E+00
  22   -0.114796E-04    0.388514E+03  0.295473E-07 0.100000E-04    0.995386E+00
  23    0.194182E-05    0.368815E+03 -0.526502E-08 0.100000E-04    0.926355E+00
  24   -0.579249E-05    0.360948E+03  0.160480E-07 0.100000E-04    0.990978E+00
  25   -0.237262E-04    0.350096E+03  0.677705E-07 0.100000E-04    0.994573E+00
  26   -0.363120E-04    0.335049E+03  0.108378E-06 0.100000E-04    0.998214E+00
  27   -0.176840E-04    0.327458E+03  0.540039E-07 0.100000E-04    0.994943E+00
  28    0.119505E-04    0.321632E+03 -0.371558E-07 0.100000E-04    0.996897E+00
  29    0.287173E-04    0.319763E+03 -0.898079E-07 0.100000E-04    0.993383E+00
  30   -0.242273E-04    0.310755E+03  0.779627E-07 0.100000E-04    0.993696E+00
  31   -0.227019E-04    0.302466E+03  0.750560E-07 0.100000E-04    0.999995E+00
  32   -0.107047E-04    0.289575E+03  0.369669E-07 0.100000E-04    0.991025E+00
  33    0.150101E-04    0.278385E+03 -0.539186E-07 0.100000E-04    0.998179E+00
  34   -0.175435E-04    0.271509E+03  0.646149E-07 0.100000E-04    0.995827E+00
  35    0.252587E-04    0.267672E+03 -0.943641E-07 0.100000E-04    0.996408E+00
  36    0.238973E-04    0.264701E+03 -0.902803E-07 0.100000E-04    0.995029E+00
  37   -0.212119E-04    0.261403E+03  0.811464E-07 0.100000E-04    0.996316E+00
  38    0.441898E-05    0.253829E+03 -0.174093E-07 0.100000E-04    0.995745E+00
  39   -0.219279E-04    0.241819E+03  0.906792E-07 0.100000E-04    0.996544E+00
  40   -0.276111E-04    0.239525E+03  0.115274E-06 0.100000E-04    0.999753E+00
  41   -0.477319E-04    0.234004E+03  0.203979E-06 0.100000E-04    0.998923E+00
  42   -0.198218E-04    0.227938E+03  0.869611E-07 0.100000E-04    0.992984E+00
  43   -0.203320E-04    0.218156E+03  0.931993E-07 0.100000E-04    0.997774E+00
  44   -0.391323E-04    0.214482E+03  0.182450E-06 0.100000E-04    0.997235E+00
  45    0.425308E-05    0.212948E+03 -0.199723E-07 0.100000E-04    0.971630E+00
  46    0.341338E-04    0.207189E+03 -0.164747E-06 0.100000E-04    0.999745E+00
  47   -0.277009E-04    0.203487E+03  0.136131E-06 0.100000E-04    0.993856E+00
  48    0.673180E-05    0.196666E+03 -0.342297E-07 0.100000E-04    0.979249E+00
  49    0.308915E-04    0.194920E+03 -0.158483E-06 0.100000E-04    0.999231E+00
  50   -0.752372E-05    0.191363E+03  0.393164E-07 0.100000E-04    0.964411E+00
  51   -0.184795E-04    0.183344E+03  0.100791E-06 0.100000E-04    0.996440E+00
  52   -0.725172E-05    0.174219E+03  0.416242E-07 0.100000E-04    0.984801E+00
  53   -0.151507E-04    0.172282E+03  0.879416E-07 0.100000E-04    0.992313E+00
  54   -0.238268E-04    0.167760E+03  0.142029E-06 0.100000E-04    0.995161E+00
  55    0.230381E-04    0.164200E+03 -0.140305E-06 0.100000E-04    0.998636E+00
  56    0.705935E-05    0.157905E+03 -0.447063E-07 0.100000E-04    0.969248E+00
  57    0.154676E-04    0.154447E+03 -0.100148E-06 0.100000E-04    0.985230E+00
  58    0.273160E-04    0.151896E+03 -0.179833E-06 0.100000E-04    0.999581E+00
  59    0.640711E-05    0.147741E+03 -0.433670E-07 0.100000E-04    0.990355E+00
  60    0.252126E-04    0.143467E+03 -0.175738E-06 0.100000E-04    0.994179E+00
  61   -0.356556E-04    0.137473E+03  0.259365E-06 0.100000E-04    0.990355E+00
  62   -0.240097E-04    0.135938E+03  0.176622E-06 0.100000E-04    0.995078E+00
  63    0.181107E-04    0.130525E+03 -0.138753E-06 0.100000E-04    0.990966E+00
  64   -0.396896E-04    0.128487E+03  0.308899E-06 0.100000E-04    0.995822E+00
  65   -0.242033E-04    0.126477E+03  0.191365E-06 0.100000E-04    0.986459E+00
  66    0.112416E-04    0.125105E+03 -0.898570E-07 0.100000E-04    0.992047E+00
  67   -0.148617E-04    0.119894E+03  0.123956E-06 0.100000E-04    0.988063E+00
  68   -0.879089E-05    0.118139E+03  0.744116E-07 0.100000E-04    0.988711E+00
  69    0.829062E-05    0.117113E+03 -0.707918E-07 0.100000E-04    0.985339E+00
  70   -0.322584E-04    0.110536E+03  0.291836E-06 0.100000E-04    0.996485E+00
  71    0.715904E-05    0.107265E+03 -0.667418E-07 0.100000E-04    0.986257E+00
  72    0.789893E-04    0.104505E+03 -0.755845E-06 0.100000E-04    0.997428E+00
  73   -0.297644E-04    0.103032E+03  0.288883E-06 0.100000E-04    0.996105E+00
  74    0.232643E-04    0.996842E+02 -0.233380E-06 0.100000E-04    0.998900E+00
  75    0.836851E-04    0.958178E+02 -0.873377E-06 0.100000E-04    0.997874E+00
  76   -0.295327E-04    0.939395E+02  0.314380E-06 0.100000E-04    0.990310E+00
  77   -0.390429E-04    0.935153E+02  0.417503E-06 0.100000E-04    0.990608E+00
  78    0.144545E-04    0.908667E+02 -0.159074E-06 0.100000E-04    0.971254E+00
  79   -0.673500E-05    0.891621E+02  0.755366E-07 0.100000E-04    0.992064E+00
  80   -0.209461E-04    0.852738E+02  0.245634E-06 0.100000E-04    0.998219E+00
  81   -0.280426E-04    0.808757E+02  0.346737E-06 0.100000E-04    0.998818E+00
  82   -0.165450E-04    0.800290E+02  0.206737E-06 0.100000E-04    0.998482E+00
  83   -0.144799E-04    0.781753E+02  0.185224E-06 0.100000E-04    0.988286E+00
  84   -0.577012E-04    0.730605E+02  0.789773E-06 0.100000E-04    0.992719E+00
  85   -0.277477E-04    0.726326E+02  0.382028E-06 0.100000E-04    0.996316E+00
  86   -0.192618E-04    0.681979E+02  0.282439E-06 0.100000E-04    0.980756E+00
  87   -0.460987E-04    0.654946E+02  0.703856E-06 0.100000E-04    0.991229E+00
  88   -0.152531E-04    0.625487E+02  0.243860E-06 0.100000E-04    0.980884E+00
  89   -0.742291E-05    0.599612E+02  0.123795E-06 0.100000E-04    0.963694E+00
  90   -0.539141E-04    0.594094E+02  0.907502E-06 0.100000E-04    0.998462E+00
  91   -0.491165E-04    0.588533E+02  0.834558E-06 0.100000E-04    0.977101E+00
  92   -0.611158E-04    0.560381E+02  0.109061E-05 0.100000E-04    0.998746E+00
  93   -0.834411E-05    0.525697E+02  0.158725E-06 0.100000E-04    0.966857E+00
  94    0.572603E-04    0.523074E+02 -0.109469E-05 0.100000E-04    0.999784E+00
  95   -0.103590E-04    0.500124E+02  0.207128E-06 0.100000E-04    0.999998E+00
  96    0.654693E-05    0.469870E+02 -0.139335E-06 0.100000E-04    0.920144E+00
  97    0.419466E-04    0.429360E+02 -0.976958E-06 0.100000E-04    0.979798E+00
  98   -0.564906E-04    0.406497E+02  0.138969E-05 0.100000E-04    0.990956E+00
  99   -0.119770E-03    0.377815E+02  0.317006E-05 0.100000E-04    0.994209E+00
 100   -0.807193E-04    0.363951E+02  0.221786E-05 0.100000E-04    0.994001E+00
 101   -0.249667E-04    0.334248E+02  0.746951E-06 0.100000E-04    0.956716E+00
 102    0.109858E-03    0.287865E+02 -0.381628E-05 0.100000E-04    0.995366E+00
 103   -0.463705E-04    0.285286E+02  0.162541E-05 0.100000E-04    0.996366E+00
 104    0.134101E-03    0.267442E+02 -0.501422E-05 0.100000E-04    0.997808E+00
 105   -0.714732E-04    0.231796E+02  0.308345E-05 0.100000E-04    0.982468E+00
 106   -0.642038E-04    0.210140E+02  0.305529E-05 0.100000E-04    0.960236E+00
 107    0.447724E-04    0.205102E+02 -0.218294E-05 0.100000E-04    0.967841E+00
 108    0.790272E-05    0.167218E+02 -0.472600E-06 0.100000E-04    0.519318E+00
 109   -0.707749E-04    0.138400E+02  0.511380E-05 0.100000E-04    0.975567E+00
 110   -0.127625E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.502678E+00
 111   -0.300675E-03    0.100281E+02  0.100000E-04 0.100000E-04    0.619447E+00
 112    0.162891E-01    0.852649E+01 -0.196299E-04 0.196299E-04    0.143022E+00
 113    0.343273E-01    0.636585E+01 -0.403793E-04 0.403793E-04    0.160864E+00
 114    0.806681E+00    0.370535E+01  0.400000E-03 0.400000E-03    0.175318E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2082643195    

 Beginning of optimization cycle  428.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3278137901
 potential> RMS force:                                               0.0757828336   |gradient|=.8091392440    
 Eigenvalues of the Hessian matrix:
   739.78503    674.33627    628.27143    602.92641    587.31617    575.66129 
   567.00629    485.54592    462.73763    460.68122    441.63247    429.01068 
   422.09031    408.51547    396.89099    388.50840    368.82706    360.94073 
   350.08784    335.04509    327.47588    321.63663    319.75099    310.73966 
   302.44780    289.58591    278.38265    271.52038    267.67979    264.70313 
   261.42668    253.82496    241.81397    239.53816    233.99607    227.93056 
   218.13595    214.48903    212.95487    207.19068    203.48393    196.65487 
   194.91668    191.36158    183.33537    174.21308    172.28423    167.76376 
   164.19076    157.89318    154.45127    151.90166    147.73106    143.46863 
   137.47728    135.93806    130.52322    128.49158    126.48187    125.09868 
   119.89577    118.13929    117.11280    110.53213    107.25999    104.50249 
   103.03081     99.68336     95.82040     93.94675     93.49819     90.87016 
    89.15550     85.27679     80.87515     80.03152     78.17390     73.06445 
    72.63595     68.19664     65.48578     62.53804     59.96201     59.40764 
    58.84685     56.03758     52.56876     52.30662     50.01245     46.97988 
    42.93808     40.65267     37.78441     36.39670     33.41208     28.78649 
    28.52733     26.73696     23.18164     21.01670     20.50385     16.72017 
    13.84059     12.23902     10.02933      8.52510      6.35714      3.69954 
overlap for current and previous eigenvector    109 is         0.9999998060
overlap for current and previous eigenvector    110 is         0.9999996993
overlap for current and previous eigenvector    111 is         0.9999997556
overlap for current and previous eigenvector    112 is        -0.9999989859
overlap for current and previous eigenvector    113 is        -0.9999988197
overlap for current and previous eigenvector    114 is        -0.9999996332
J1,K1,R1,R2,RAT=   7   7   -0.5543875414E-02     2.005361595        0.9944561246    
FOB,PFOB,DIAG,PSTEP=   -0.7513222033E-05   -0.7471795553E-05     739.7850329        0.1010087561E-07
J1,K1,R1,R2,RAT=   8   8   -0.9218898788E-02     2.009200630        0.9907811012    
FOB,PFOB,DIAG,PSTEP=   -0.7060401720E-05   -0.6995906576E-05     674.3362680        0.1037460213E-07
J1,K1,R1,R2,RAT=   9   9   -0.5730962149E-01     2.057259358        0.9426903785    
FOB,PFOB,DIAG,PSTEP=   -0.2421126478E-05   -0.2289890426E-05     628.2714260        0.3644838651E-08
J1,K1,R1,R2,RAT=  10  10    0.3876872263E-04     2.000018996        0.9999612313    
FOB,PFOB,DIAG,PSTEP=    0.2882401043E-05    0.2882512791E-05     602.9264055       -0.4780731965E-08
J1,K1,R1,R2,RAT=  11  11    0.1796187087E-01     1.982069040        0.9820381291    
FOB,PFOB,DIAG,PSTEP=   -0.2009093102E-05   -0.2045839641E-05     587.3161706        0.3483316355E-08
J1,K1,R1,R2,RAT= 109 109   -0.1790626596E-01     2.017817097        0.9820937340    
FOB,PFOB,DIAG,PSTEP=   -0.7204222611E-04   -0.7077485621E-04     13.84059173        0.5113799554E-05
J1,K1,R1,R2,RAT= 110 110   -0.4807688532         209.0344886        0.5192311468    
FOB,PFOB,DIAG,PSTEP=   -0.1282130909E-01   -0.1276246768E-01     12.23902187        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3754387225         5.620473157        0.6245612775    
FOB,PFOB,DIAG,PSTEP=   -0.2630208254E-03   -0.3006748022E-03     10.02932692        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     195.4512470       -0.7762265858        0.2237734142    
FOB,PFOB,DIAG,PSTEP=   -0.1641899516E-01    0.1628909632E-01     8.525103058       -0.1962985630E-04
J1,K1,R1,R2,RAT= 113 113     268.2534359       -0.7996352911        0.2003647089    
FOB,PFOB,DIAG,PSTEP=   -0.3453257920E-01    0.3432731510E-01     6.357141216       -0.4037933847E-04
J1,K1,R1,R2,RAT= 114 114    -1091.225408        0.9814121462        0.1858785383E-01
FOB,PFOB,DIAG,PSTEP=   -0.8081334294        0.8066811185         3.699543961        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
    -0.00002     -0.00001     -0.00002     -0.00003      0.00001      0.00003 
     0.00004      0.00002     -0.00002      0.00004     -0.00002      0.00001 
    -0.00002      0.00001     -0.00001     -0.00003     -0.00001     -0.00008 
     0.00003      0.00002      0.00008      0.00003     -0.00004     -0.00001 
    -0.00001      0.00002      0.00003      0.00002      0.00001      0.00006 
     0.00003      0.00002      0.00005     -0.00002      0.00001      0.00005 
    -0.00005     -0.00006     -0.00001      0.00006      0.00001      0.00001 
     0.00004      0.00006      0.00012      0.00008      0.00002     -0.00011 
     0.00005     -0.00014     -0.00007     -0.00006      0.00004      0.00001 
    -0.00007     -0.01282     -0.00026     -0.01642     -0.03453     -0.80813 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4064506210
 Log product of positive Hessian eigenvalues =          519.4108703698
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6995439613
 Unscaled step for mode    7=        0.0000000102
 Unscaled step for mode    8=        0.0000000105
 Unscaled step for mode    9=        0.0000000039
 Unscaled step for mode   10=       -0.0000000048
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000125
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000067
 Unscaled step for mode   15=       -0.0000000045
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000094
 Unscaled step for mode   18=       -0.0000000102
 Unscaled step for mode   19=        0.0000000465
 Unscaled step for mode   20=       -0.0000000110
 Unscaled step for mode   21=       -0.0000000124
 Unscaled step for mode   22=        0.0000000298
 Unscaled step for mode   23=       -0.0000000056
 Unscaled step for mode   24=        0.0000000164
 Unscaled step for mode   25=        0.0000000677
 Unscaled step for mode   26=        0.0000001083
 Unscaled step for mode   27=        0.0000000538
 Unscaled step for mode   28=       -0.0000000369
 Unscaled step for mode   29=       -0.0000000903
 Unscaled step for mode   30=        0.0000000782
 Unscaled step for mode   31=        0.0000000755
 Unscaled step for mode   32=        0.0000000375
 Unscaled step for mode   33=       -0.0000000540
 Unscaled step for mode   34=        0.0000000649
 Unscaled step for mode   35=       -0.0000000947
 Unscaled step for mode   36=       -0.0000000910
 Unscaled step for mode   37=        0.0000000809
 Unscaled step for mode   38=       -0.0000000178
 Unscaled step for mode   39=        0.0000000906
 Unscaled step for mode   40=        0.0000001165
 Unscaled step for mode   41=        0.0000002046
 Unscaled step for mode   42=        0.0000000881
 Unscaled step for mode   43=        0.0000000935
 Unscaled step for mode   44=        0.0000001841
 Unscaled step for mode   45=       -0.0000000204
 Unscaled step for mode   46=       -0.0000001655
 Unscaled step for mode   47=        0.0000001363
 Unscaled step for mode   48=       -0.0000000338
 Unscaled step for mode   49=       -0.0000001590
 Unscaled step for mode   50=        0.0000000381
 Unscaled step for mode   51=        0.0000001006
 Unscaled step for mode   52=        0.0000000417
 Unscaled step for mode   53=        0.0000000876
 Unscaled step for mode   54=        0.0000001421
 Unscaled step for mode   55=        0.0000001408
 Unscaled step for mode   56=        0.0000000460
 Unscaled step for mode   57=        0.0000000997
 Unscaled step for mode   58=        0.0000001801
 Unscaled step for mode   59=       -0.0000000443
 Unscaled step for mode   60=       -0.0000001751
 Unscaled step for mode   61=       -0.0000002581
 Unscaled step for mode   62=       -0.0000001765
 Unscaled step for mode   63=        0.0000001366
 Unscaled step for mode   64=       -0.0000003097
 Unscaled step for mode   65=        0.0000001894
 Unscaled step for mode   66=       -0.0000000892
 Unscaled step for mode   67=        0.0000001265
 Unscaled step for mode   68=       -0.0000000735
 Unscaled step for mode   69=        0.0000000704
 Unscaled step for mode   70=        0.0000002933
 Unscaled step for mode   71=        0.0000000674
 Unscaled step for mode   72=        0.0000007579
 Unscaled step for mode   73=       -0.0000002875
 Unscaled step for mode   74=       -0.0000002317
 Unscaled step for mode   75=       -0.0000008718
 Unscaled step for mode   76=       -0.0000003081
 Unscaled step for mode   77=        0.0000004214
 Unscaled step for mode   78=        0.0000001578
 Unscaled step for mode   79=        0.0000000754
 Unscaled step for mode   80=       -0.0000002445
 Unscaled step for mode   81=       -0.0000003485
 Unscaled step for mode   82=       -0.0000002099
 Unscaled step for mode   83=       -0.0000001827
 Unscaled step for mode   84=       -0.0000007891
 Unscaled step for mode   85=       -0.0000003740
 Unscaled step for mode   86=       -0.0000002816
 Unscaled step for mode   87=       -0.0000007012
 Unscaled step for mode   88=        0.0000002510
 Unscaled step for mode   89=       -0.0000001278
 Unscaled step for mode   90=       -0.0000008994
 Unscaled step for mode   91=        0.0000008348
 Unscaled step for mode   92=        0.0000010903
 Unscaled step for mode   93=        0.0000001718
 Unscaled step for mode   94=       -0.0000010944
 Unscaled step for mode   95=       -0.0000002019
 Unscaled step for mode   96=       -0.0000001395
 Unscaled step for mode   97=       -0.0000009611
 Unscaled step for mode   98=       -0.0000013843
 Unscaled step for mode   99=       -0.0000031500
 Unscaled step for mode  100=       -0.0000022010
 Unscaled step for mode  101=       -0.0000007217
 Unscaled step for mode  102=        0.0000038111
 Unscaled step for mode  103=       -0.0000016416
 Unscaled step for mode  104=        0.0000050584
 Unscaled step for mode  105=        0.0000030567
 Unscaled step for mode  106=        0.0000029741
 Unscaled step for mode  107=       -0.0000021779
 Unscaled step for mode  108=       -0.0000003559
 Unscaled step for mode  109=        0.0000052051
 Unscaled step for mode  110=        0.0010475751
 Unscaled step for mode  111=        0.0000262252
 Unscaled step for mode  112=        0.0019259514
 Unscaled step for mode  113=        0.0054319322
 Unscaled step for mode  114=       -0.2089080233
 Largest modulus ratio of non-zero e/values=           199.9665474    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.887094E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.258647E-14    0.100686E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.222847E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.589693E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.148631E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.140354E-14    0.974060E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.751322E-05    0.739785E+03  0.101560E-07 0.100000E-04    0.994456E+00
   8   -0.706040E-05    0.674336E+03  0.104701E-07 0.100000E-04    0.990781E+00
   9   -0.242113E-05    0.628271E+03  0.385363E-08 0.100000E-04    0.942690E+00
  10    0.288240E-05    0.602926E+03 -0.478068E-08 0.100000E-04    0.999961E+00
  11   -0.200909E-05    0.587316E+03  0.342080E-08 0.100000E-04    0.982038E+00
  12   -0.718705E-05    0.575661E+03  0.124849E-07 0.100000E-04    0.971294E+00
  13   -0.353780E-05    0.567006E+03  0.623944E-08 0.100000E-04    0.991136E+00
  14    0.323316E-05    0.485546E+03 -0.665882E-08 0.100000E-04    0.964365E+00
  15    0.206173E-05    0.462738E+03 -0.445550E-08 0.100000E-04    0.974802E+00
  16    0.739707E-05    0.460681E+03 -0.160568E-07 0.100000E-04    0.995770E+00
  17    0.414440E-05    0.441632E+03 -0.938428E-08 0.100000E-04    0.975237E+00
  18    0.436716E-05    0.429011E+03 -0.101796E-07 0.100000E-04    0.977962E+00
  19   -0.196426E-04    0.422090E+03  0.465365E-07 0.100000E-04    0.999616E+00
  20    0.450598E-05    0.408515E+03 -0.110301E-07 0.100000E-04    0.973613E+00
  21    0.493995E-05    0.396891E+03 -0.124466E-07 0.100000E-04    0.978761E+00
  22   -0.115900E-04    0.388508E+03  0.298321E-07 0.100000E-04    0.990379E+00
  23    0.208154E-05    0.368827E+03 -0.564367E-08 0.100000E-04    0.928050E+00
  24   -0.591580E-05    0.360941E+03  0.163900E-07 0.100000E-04    0.978711E+00
  25   -0.236870E-04    0.350088E+03  0.676601E-07 0.100000E-04    0.998349E+00
  26   -0.362935E-04    0.335045E+03  0.108324E-06 0.100000E-04    0.999490E+00
  27   -0.176161E-04    0.327476E+03  0.537934E-07 0.100000E-04    0.996048E+00
  28    0.118610E-04    0.321637E+03 -0.368770E-07 0.100000E-04    0.992485E+00
  29    0.288617E-04    0.319751E+03 -0.902631E-07 0.100000E-04    0.994970E+00
  30   -0.242852E-04    0.310740E+03  0.781530E-07 0.100000E-04    0.997607E+00
  31   -0.228349E-04    0.302448E+03  0.755003E-07 0.100000E-04    0.994140E+00
  32   -0.108657E-04    0.289586E+03  0.375216E-07 0.100000E-04    0.984955E+00
  33    0.150348E-04    0.278383E+03 -0.540077E-07 0.100000E-04    0.998355E+00
  34   -0.176266E-04    0.271520E+03  0.649182E-07 0.100000E-04    0.995264E+00
  35    0.253460E-04    0.267680E+03 -0.946877E-07 0.100000E-04    0.996543E+00
  36    0.240879E-04    0.264703E+03 -0.909995E-07 0.100000E-04    0.992025E+00
  37   -0.211612E-04    0.261427E+03  0.809449E-07 0.100000E-04    0.997427E+00
  38    0.450590E-05    0.253825E+03 -0.177520E-07 0.100000E-04    0.980328E+00
  39   -0.219000E-04    0.241814E+03  0.905656E-07 0.100000E-04    0.998727E+00
  40   -0.279166E-04    0.239538E+03  0.116544E-06 0.100000E-04    0.988936E+00
  41   -0.478848E-04    0.233996E+03  0.204639E-06 0.100000E-04    0.996797E+00
  42   -0.200703E-04    0.227931E+03  0.880545E-07 0.100000E-04    0.987460E+00
  43   -0.203972E-04    0.218136E+03  0.935066E-07 0.100000E-04    0.996794E+00
  44   -0.394917E-04    0.214489E+03  0.184120E-06 0.100000E-04    0.990816E+00
  45    0.433565E-05    0.212955E+03 -0.203595E-07 0.100000E-04    0.980586E+00
  46    0.342928E-04    0.207191E+03 -0.165513E-06 0.100000E-04    0.995343E+00
  47   -0.277413E-04    0.203484E+03  0.136332E-06 0.100000E-04    0.998541E+00
  48    0.664278E-05    0.196655E+03 -0.337789E-07 0.100000E-04    0.986776E+00
  49    0.309939E-04    0.194917E+03 -0.159011E-06 0.100000E-04    0.996685E+00
  50   -0.728580E-05    0.191362E+03  0.380735E-07 0.100000E-04    0.968377E+00
  51   -0.184411E-04    0.183335E+03  0.100587E-06 0.100000E-04    0.997920E+00
  52   -0.726047E-05    0.174213E+03  0.416758E-07 0.100000E-04    0.998794E+00
  53   -0.150886E-04    0.172284E+03  0.875797E-07 0.100000E-04    0.995871E+00
  54   -0.238379E-04    0.167764E+03  0.142092E-06 0.100000E-04    0.999536E+00
  55   -0.231232E-04    0.164191E+03  0.140831E-06 0.100000E-04    0.996307E+00
  56   -0.726395E-05    0.157893E+03  0.460054E-07 0.100000E-04    0.971015E+00
  57   -0.153929E-04    0.154451E+03  0.996616E-07 0.100000E-04    0.995110E+00
  58   -0.273618E-04    0.151902E+03  0.180129E-06 0.100000E-04    0.998321E+00
  59    0.654521E-05    0.147731E+03 -0.443049E-07 0.100000E-04    0.978444E+00
  60    0.251256E-04    0.143469E+03 -0.175130E-06 0.100000E-04    0.996527E+00
  61    0.354850E-04    0.137477E+03 -0.258116E-06 0.100000E-04    0.995148E+00
  62    0.239927E-04    0.135938E+03 -0.176498E-06 0.100000E-04    0.999293E+00
  63   -0.178244E-04    0.130523E+03  0.136561E-06 0.100000E-04    0.984192E+00
  64    0.397996E-04    0.128492E+03 -0.309745E-06 0.100000E-04    0.997229E+00
  65   -0.239506E-04    0.126482E+03  0.189360E-06 0.100000E-04    0.989487E+00
  66    0.111536E-04    0.125099E+03 -0.891581E-07 0.100000E-04    0.992169E+00
  67   -0.151644E-04    0.119896E+03  0.126480E-06 0.100000E-04    0.979632E+00
  68    0.868592E-05    0.118139E+03 -0.735227E-07 0.100000E-04    0.988050E+00
  69   -0.824929E-05    0.117113E+03  0.704388E-07 0.100000E-04    0.995012E+00
  70   -0.324212E-04    0.110532E+03  0.293320E-06 0.100000E-04    0.994951E+00
  71   -0.723050E-05    0.107260E+03  0.674109E-07 0.100000E-04    0.990018E+00
  72   -0.792062E-04    0.104502E+03  0.757936E-06 0.100000E-04    0.997254E+00
  73    0.296243E-04    0.103031E+03 -0.287528E-06 0.100000E-04    0.995294E+00
  74    0.230956E-04    0.996834E+02 -0.231690E-06 0.100000E-04    0.992750E+00
  75    0.835327E-04    0.958204E+02 -0.871764E-06 0.100000E-04    0.998126E+00
  76    0.289468E-04    0.939467E+02 -0.308119E-06 0.100000E-04    0.980009E+00
  77   -0.393957E-04    0.934982E+02  0.421353E-06 0.100000E-04    0.990962E+00
  78   -0.143383E-04    0.908702E+02  0.157789E-06 0.100000E-04    0.991881E+00
  79   -0.671980E-05    0.891555E+02  0.753716E-07 0.100000E-04    0.997743E+00
  80    0.208518E-04    0.852768E+02 -0.244519E-06 0.100000E-04    0.995426E+00
  81    0.281882E-04    0.808751E+02 -0.348540E-06 0.100000E-04    0.994806E+00
  82    0.168009E-04    0.800315E+02 -0.209929E-06 0.100000E-04    0.984531E+00
  83    0.142840E-04    0.781739E+02 -0.182721E-06 0.100000E-04    0.986471E+00
  84    0.576524E-04    0.730645E+02 -0.789062E-06 0.100000E-04    0.999045E+00
  85    0.271691E-04    0.726360E+02 -0.374045E-06 0.100000E-04    0.979057E+00
  86    0.192041E-04    0.681966E+02 -0.281598E-06 0.100000E-04    0.997004E+00
  87    0.459185E-04    0.654858E+02 -0.701198E-06 0.100000E-04    0.996089E+00
  88   -0.156958E-04    0.625380E+02  0.250981E-06 0.100000E-04    0.970970E+00
  89    0.766020E-05    0.599620E+02 -0.127751E-06 0.100000E-04    0.968033E+00
  90    0.534342E-04    0.594076E+02 -0.899449E-06 0.100000E-04    0.991098E+00
  91   -0.491240E-04    0.588469E+02  0.834776E-06 0.100000E-04    0.999848E+00
  92   -0.610997E-04    0.560376E+02  0.109033E-05 0.100000E-04    0.999736E+00
  93   -0.903212E-05    0.525688E+02  0.171815E-06 0.100000E-04    0.917544E+00
  94    0.572445E-04    0.523066E+02 -0.109440E-05 0.100000E-04    0.999724E+00
  95    0.100992E-04    0.500125E+02 -0.201934E-06 0.100000E-04    0.974918E+00
  96    0.655385E-05    0.469799E+02 -0.139503E-06 0.100000E-04    0.998942E+00
  97    0.412666E-04    0.429381E+02 -0.961073E-06 0.100000E-04    0.983692E+00
  98    0.562740E-04    0.406527E+02 -0.138426E-05 0.100000E-04    0.996022E+00
  99    0.119020E-03    0.377844E+02 -0.314998E-05 0.100000E-04    0.993590E+00
 100    0.801084E-04    0.363967E+02 -0.220098E-05 0.100000E-04    0.992343E+00
 101    0.241134E-04    0.334121E+02 -0.721697E-06 0.100000E-04    0.965808E+00
 102   -0.109708E-03    0.287865E+02  0.381110E-05 0.100000E-04    0.998640E+00
 103    0.468298E-04    0.285273E+02 -0.164158E-05 0.100000E-04    0.990095E+00
 104   -0.135245E-03    0.267370E+02  0.505836E-05 0.100000E-04    0.991467E+00
 105   -0.708583E-04    0.231816E+02  0.305666E-05 0.100000E-04    0.991224E+00
 106   -0.625061E-04    0.210167E+02  0.297411E-05 0.100000E-04    0.973299E+00
 107    0.446558E-04    0.205038E+02 -0.217792E-05 0.100000E-04    0.997396E+00
 108    0.595143E-05    0.167202E+02 -0.355943E-06 0.100000E-04    0.753063E+00
 109   -0.720422E-04    0.138406E+02  0.520514E-05 0.100000E-04    0.982094E+00
 110   -0.128213E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.519231E+00
 111   -0.263021E-03    0.100293E+02  0.100000E-04 0.100000E-04    0.624561E+00
 112   -0.164190E-01    0.852510E+01  0.176846E-04 0.176846E-04    0.223773E+00
 113   -0.345326E-01    0.635714E+01  0.363778E-04 0.363778E-04    0.200365E+00
 114   -0.808133E+00    0.369954E+01 -0.400000E-03 0.400000E-03    0.185879E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2089080233    

 Beginning of optimization cycle  429.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3274919134
 potential> RMS force:                                               0.0759197465   |gradient|=.8106010748    
 Eigenvalues of the Hessian matrix:
   739.85222    674.34267    628.28677    602.90925    587.30725    575.70237 
   567.00195    485.57299    462.71452    460.67497    441.63581    429.00503 
   422.09132    408.51832    396.88609    388.50264    368.83872    360.93335 
   350.07981    335.04086    327.49401    321.64114    319.73844    310.72502 
   302.42951    289.59709    278.38025    271.53211    267.68729    264.70523 
   261.45000    253.82105    241.80902    239.55113    233.98839    227.92295 
   218.11598    214.49559    212.96150    207.19251    203.48116    196.64416 
   194.91296    191.35983    183.32633    174.20730    172.28660    167.76724 
   164.18105    157.88120    154.45580    151.90735    147.72074    143.47023 
   137.48201    135.93786    130.52194    128.49560    126.48639    125.09213 
   119.89701    118.13979    117.11297    110.52808    107.25541    104.50032 
   103.02911     99.68253     95.82311     93.95386     93.48107     90.87356 
    89.14899     85.27966     80.87452     80.03392     78.17252     73.06846 
    72.63944     68.19540     65.47712     62.52733     59.96272     59.40601 
    58.84029     56.03707     52.56783     52.30586     50.01241     46.97283 
    42.94011     40.65559     37.78728     36.39831     33.39938     28.78639 
    28.52604     26.72968     23.18365     21.01954     20.49735     16.71853 
    13.84120     12.23907     10.03057      8.52345      6.34834      3.69375 
overlap for current and previous eigenvector    109 is         0.9999998050
overlap for current and previous eigenvector    110 is         0.9999996979
overlap for current and previous eigenvector    111 is         0.9999997611
overlap for current and previous eigenvector    112 is         0.9999989029
overlap for current and previous eigenvector    113 is         0.9999987581
overlap for current and previous eigenvector    114 is         0.9999996612
J1,K1,R1,R2,RAT=   7   7   -0.3993079352E-02     2.003811456        0.9960069206    
FOB,PFOB,DIAG,PSTEP=   -0.7543225649E-05   -0.7513222033E-05     739.8522202        0.1015595301E-07
J1,K1,R1,R2,RAT=   8   8    0.4165106765E-02     1.995815918        0.9958159182    
FOB,PFOB,DIAG,PSTEP=   -0.7030994114E-05   -0.7060401720E-05     674.3426658        0.1047014977E-07
J1,K1,R1,R2,RAT=   9   9    0.4244465075E-01     1.957506516        0.9575065160    
FOB,PFOB,DIAG,PSTEP=   -0.2318360101E-05   -0.2421126478E-05     628.2867666        0.3853631373E-08
J1,K1,R1,R2,RAT=  10  10   -0.1053038978E-01     2.010587285        0.9894696102    
FOB,PFOB,DIAG,PSTEP=    0.2912752986E-05    0.2882401043E-05     602.9092542       -0.4780684701E-08
J1,K1,R1,R2,RAT=  11  11   -0.3754798443E-01     2.037578377        0.9624520156    
FOB,PFOB,DIAG,PSTEP=   -0.2084529352E-05   -0.2009093102E-05     587.3072456        0.3420803312E-08
J1,K1,R1,R2,RAT= 109 109    0.2394115283E-01     1.975971516        0.9759715158    
FOB,PFOB,DIAG,PSTEP=   -0.7031737685E-04   -0.7204222611E-04     13.84119611        0.5205140614E-05
J1,K1,R1,R2,RAT= 110 110   -0.5008392857         210.0152854        0.4991607143    
FOB,PFOB,DIAG,PSTEP=   -0.1288260715E-01   -0.1282130909E-01     12.23906926        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3847571162         4.859628591        0.6152428838    
FOB,PFOB,DIAG,PSTEP=   -0.2244275029E-03   -0.2630208254E-03     10.03056755        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.8804246343         218.7351801        0.1195753657    
FOB,PFOB,DIAG,PSTEP=   -0.1655170457E-01   -0.1641899516E-01     8.523449343        0.1768455522E-04
J1,K1,R1,R2,RAT= 113 113   -0.8597902888         299.9226124        0.1402097112    
FOB,PFOB,DIAG,PSTEP=   -0.3473113800E-01   -0.3453257920E-01     6.348342715        0.3637778241E-04
J1,K1,R1,R2,RAT= 114 114    0.9823960229        -1094.903419        0.1760397714E-01
FOB,PFOB,DIAG,PSTEP=   -0.8095849182       -0.8081334294         3.693746680       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00001     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
    -0.00002     -0.00001     -0.00002     -0.00003     -0.00001      0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00001      0.00001     -0.00001     -0.00003     -0.00001     -0.00008 
     0.00003      0.00002      0.00008      0.00003     -0.00004      0.00001 
    -0.00001      0.00002      0.00003      0.00002      0.00001      0.00006 
     0.00003      0.00002      0.00005     -0.00002      0.00001      0.00005 
    -0.00005     -0.00006     -0.00001      0.00006      0.00001     -0.00001 
    -0.00004     -0.00006     -0.00012      0.00008      0.00003     -0.00011 
     0.00005     -0.00013     -0.00007     -0.00006     -0.00004      0.00001 
    -0.00007     -0.01288     -0.00022     -0.01655     -0.03473     -0.80958 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4062073801
 Log product of positive Hessian eigenvalues =          519.4064232580
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6937466799
 Unscaled step for mode    7=        0.0000000102
 Unscaled step for mode    8=        0.0000000104
 Unscaled step for mode    9=        0.0000000037
 Unscaled step for mode   10=       -0.0000000048
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000122
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000066
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000162
 Unscaled step for mode   17=       -0.0000000096
 Unscaled step for mode   18=       -0.0000000104
 Unscaled step for mode   19=        0.0000000467
 Unscaled step for mode   20=       -0.0000000112
 Unscaled step for mode   21=       -0.0000000126
 Unscaled step for mode   22=        0.0000000297
 Unscaled step for mode   23=       -0.0000000052
 Unscaled step for mode   24=        0.0000000162
 Unscaled step for mode   25=        0.0000000680
 Unscaled step for mode   26=        0.0000001085
 Unscaled step for mode   27=        0.0000000541
 Unscaled step for mode   28=       -0.0000000370
 Unscaled step for mode   29=       -0.0000000909
 Unscaled step for mode   30=        0.0000000777
 Unscaled step for mode   31=        0.0000000755
 Unscaled step for mode   32=        0.0000000372
 Unscaled step for mode   33=       -0.0000000541
 Unscaled step for mode   34=        0.0000000652
 Unscaled step for mode   35=       -0.0000000944
 Unscaled step for mode   36=       -0.0000000906
 Unscaled step for mode   37=        0.0000000812
 Unscaled step for mode   38=       -0.0000000178
 Unscaled step for mode   39=        0.0000000909
 Unscaled step for mode   40=        0.0000001165
 Unscaled step for mode   41=        0.0000002044
 Unscaled step for mode   42=        0.0000000874
 Unscaled step for mode   43=        0.0000000933
 Unscaled step for mode   44=        0.0000001836
 Unscaled step for mode   45=       -0.0000000209
 Unscaled step for mode   46=       -0.0000001655
 Unscaled step for mode   47=        0.0000001355
 Unscaled step for mode   48=       -0.0000000345
 Unscaled step for mode   49=       -0.0000001589
 Unscaled step for mode   50=        0.0000000394
 Unscaled step for mode   51=        0.0000001009
 Unscaled step for mode   52=        0.0000000423
 Unscaled step for mode   53=        0.0000000882
 Unscaled step for mode   54=        0.0000001428
 Unscaled step for mode   55=        0.0000001406
 Unscaled step for mode   56=        0.0000000446
 Unscaled step for mode   57=        0.0000001011
 Unscaled step for mode   58=        0.0000001800
 Unscaled step for mode   59=        0.0000000439
 Unscaled step for mode   60=       -0.0000001761
 Unscaled step for mode   61=        0.0000002606
 Unscaled step for mode   62=        0.0000001756
 Unscaled step for mode   63=       -0.0000001378
 Unscaled step for mode   64=        0.0000003110
 Unscaled step for mode   65=       -0.0000001919
 Unscaled step for mode   66=        0.0000000885
 Unscaled step for mode   67=        0.0000001250
 Unscaled step for mode   68=       -0.0000000743
 Unscaled step for mode   69=        0.0000000714
 Unscaled step for mode   70=        0.0000002923
 Unscaled step for mode   71=        0.0000000665
 Unscaled step for mode   72=        0.0000007599
 Unscaled step for mode   73=       -0.0000002886
 Unscaled step for mode   74=       -0.0000002319
 Unscaled step for mode   75=       -0.0000008735
 Unscaled step for mode   76=       -0.0000003050
 Unscaled step for mode   77=        0.0000004252
 Unscaled step for mode   78=       -0.0000001622
 Unscaled step for mode   79=        0.0000000748
 Unscaled step for mode   80=       -0.0000002449
 Unscaled step for mode   81=       -0.0000003481
 Unscaled step for mode   82=       -0.0000002096
 Unscaled step for mode   83=       -0.0000001848
 Unscaled step for mode   84=       -0.0000007947
 Unscaled step for mode   85=       -0.0000003753
 Unscaled step for mode   86=       -0.0000002869
 Unscaled step for mode   87=       -0.0000007074
 Unscaled step for mode   88=        0.0000002463
 Unscaled step for mode   89=       -0.0000001233
 Unscaled step for mode   90=       -0.0000008980
 Unscaled step for mode   91=        0.0000008533
 Unscaled step for mode   92=        0.0000010889
 Unscaled step for mode   93=        0.0000001768
 Unscaled step for mode   94=       -0.0000010940
 Unscaled step for mode   95=       -0.0000002019
 Unscaled step for mode   96=        0.0000001500
 Unscaled step for mode   97=        0.0000009801
 Unscaled step for mode   98=        0.0000013963
 Unscaled step for mode   99=        0.0000031676
 Unscaled step for mode  100=       -0.0000022140
 Unscaled step for mode  101=       -0.0000007533
 Unscaled step for mode  102=        0.0000038287
 Unscaled step for mode  103=       -0.0000016360
 Unscaled step for mode  104=        0.0000050500
 Unscaled step for mode  105=        0.0000031096
 Unscaled step for mode  106=        0.0000030867
 Unscaled step for mode  107=        0.0000021041
 Unscaled step for mode  108=       -0.0000005086
 Unscaled step for mode  109=        0.0000050803
 Unscaled step for mode  110=        0.0010525795
 Unscaled step for mode  111=        0.0000223744
 Unscaled step for mode  112=        0.0019418948
 Unscaled step for mode  113=        0.0054707347
 Unscaled step for mode  114=       -0.2095525921
 Largest modulus ratio of non-zero e/values=           200.2985815    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.669929E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.101557E-14    0.100686E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.329597E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.693076E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.792637E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.853809E-17    0.974062E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.754323E-05    0.739852E+03  0.101956E-07 0.100000E-04    0.996007E+00
   8   -0.703099E-05    0.674343E+03  0.104264E-07 0.100000E-04    0.995816E+00
   9   -0.231836E-05    0.628287E+03  0.368997E-08 0.100000E-04    0.957507E+00
  10    0.291275E-05    0.602909E+03 -0.483116E-08 0.100000E-04    0.989470E+00
  11   -0.208453E-05    0.587307E+03  0.354930E-08 0.100000E-04    0.962452E+00
  12   -0.704692E-05    0.575702E+03  0.122406E-07 0.100000E-04    0.980361E+00
  13   -0.357547E-05    0.567002E+03  0.630592E-08 0.100000E-04    0.989354E+00
  14    0.320627E-05    0.485573E+03 -0.660307E-08 0.100000E-04    0.991572E+00
  15    0.215241E-05    0.462715E+03 -0.465170E-08 0.100000E-04    0.956016E+00
  16    0.745348E-05    0.460675E+03 -0.161795E-07 0.100000E-04    0.992374E+00
  17    0.425318E-05    0.441636E+03 -0.963050E-08 0.100000E-04    0.973754E+00
  18    0.448146E-05    0.429005E+03 -0.104462E-07 0.100000E-04    0.973826E+00
  19   -0.197286E-04    0.422091E+03  0.467400E-07 0.100000E-04    0.995625E+00
  20    0.458946E-05    0.408518E+03 -0.112344E-07 0.100000E-04    0.981474E+00
  21    0.500782E-05    0.396886E+03 -0.126178E-07 0.100000E-04    0.986262E+00
  22   -0.115374E-04    0.388503E+03  0.296971E-07 0.100000E-04    0.995461E+00
  23    0.192935E-05    0.368839E+03 -0.523089E-08 0.100000E-04    0.926827E+00
  24   -0.586461E-05    0.360933E+03  0.162484E-07 0.100000E-04    0.991346E+00
  25   -0.238132E-04    0.350080E+03  0.680222E-07 0.100000E-04    0.994672E+00
  26   -0.363596E-04    0.335041E+03  0.108523E-06 0.100000E-04    0.998180E+00
  27   -0.177059E-04    0.327494E+03  0.540649E-07 0.100000E-04    0.994898E+00
  28    0.118991E-04    0.321641E+03 -0.369949E-07 0.100000E-04    0.996790E+00
  29    0.290512E-04    0.319738E+03 -0.908594E-07 0.100000E-04    0.993433E+00
  30   -0.241298E-04    0.310725E+03  0.776566E-07 0.100000E-04    0.993601E+00
  31   -0.228344E-04    0.302430E+03  0.755032E-07 0.100000E-04    0.999977E+00
  32   -0.107700E-04    0.289597E+03  0.371894E-07 0.100000E-04    0.991108E+00
  33    0.150623E-04    0.278380E+03 -0.541071E-07 0.100000E-04    0.998169E+00
  34   -0.177011E-04    0.271532E+03  0.651898E-07 0.100000E-04    0.995772E+00
  35    0.252576E-04    0.267687E+03 -0.943548E-07 0.100000E-04    0.996457E+00
  36    0.239716E-04    0.264705E+03 -0.905596E-07 0.100000E-04    0.995158E+00
  37   -0.212372E-04    0.261450E+03  0.812286E-07 0.100000E-04    0.996405E+00
  38    0.452538E-05    0.253821E+03 -0.178290E-07 0.100000E-04    0.995678E+00
  39   -0.219747E-04    0.241809E+03  0.908763E-07 0.100000E-04    0.996590E+00
  40   -0.279152E-04    0.239551E+03  0.116531E-06 0.100000E-04    0.999839E+00
  41   -0.478360E-04    0.233988E+03  0.204438E-06 0.100000E-04    0.998982E+00
  42   -0.199310E-04    0.227923E+03  0.874460E-07 0.100000E-04    0.993057E+00
  43   -0.203497E-04    0.218116E+03  0.932978E-07 0.100000E-04    0.997675E+00
  44   -0.393898E-04    0.214496E+03  0.183639E-06 0.100000E-04    0.997359E+00
  45    0.445359E-05    0.212962E+03 -0.209127E-07 0.100000E-04    0.972797E+00
  46    0.342866E-04    0.207193E+03 -0.165482E-06 0.100000E-04    0.999800E+00
  47   -0.275728E-04    0.203481E+03  0.135505E-06 0.100000E-04    0.993923E+00
  48    0.677900E-05    0.196644E+03 -0.344735E-07 0.100000E-04    0.979492E+00
  49    0.309719E-04    0.194913E+03 -0.158901E-06 0.100000E-04    0.999289E+00
  50   -0.754163E-05    0.191360E+03  0.394107E-07 0.100000E-04    0.964887E+00
  51   -0.185065E-04    0.183326E+03  0.100949E-06 0.100000E-04    0.996450E+00
  52   -0.737082E-05    0.174207E+03  0.423106E-07 0.100000E-04    0.984800E+00
  53   -0.152007E-04    0.172287E+03  0.882291E-07 0.100000E-04    0.992572E+00
  54   -0.239532E-04    0.167767E+03  0.142777E-06 0.100000E-04    0.995161E+00
  55   -0.230906E-04    0.164181E+03  0.140641E-06 0.100000E-04    0.998592E+00
  56   -0.704319E-05    0.157881E+03  0.446107E-07 0.100000E-04    0.969608E+00
  57   -0.156155E-04    0.154456E+03  0.101100E-06 0.100000E-04    0.985537E+00
  58   -0.273503E-04    0.151907E+03  0.180046E-06 0.100000E-04    0.999505E+00
  59   -0.648427E-05    0.147721E+03  0.438954E-07 0.100000E-04    0.990689E+00
  60    0.252687E-04    0.143470E+03 -0.176125E-06 0.100000E-04    0.994307E+00
  61   -0.358211E-04    0.137482E+03  0.260551E-06 0.100000E-04    0.990530E+00
  62   -0.238742E-04    0.135938E+03  0.175626E-06 0.100000E-04    0.995060E+00
  63    0.179857E-04    0.130522E+03 -0.137798E-06 0.100000E-04    0.990953E+00
  64   -0.399653E-04    0.128496E+03  0.311025E-06 0.100000E-04    0.995837E+00
  65    0.242685E-04    0.126486E+03 -0.191867E-06 0.100000E-04    0.986725E+00
  66   -0.110647E-04    0.125092E+03  0.884521E-07 0.100000E-04    0.992029E+00
  67   -0.149884E-04    0.119897E+03  0.125011E-06 0.100000E-04    0.988375E+00
  68    0.878169E-05    0.118140E+03 -0.743331E-07 0.100000E-04    0.988974E+00
  69   -0.836585E-05    0.117113E+03  0.714340E-07 0.100000E-04    0.985870E+00
  70   -0.323092E-04    0.110528E+03  0.292316E-06 0.100000E-04    0.996543E+00
  71   -0.713243E-05    0.107255E+03  0.664995E-07 0.100000E-04    0.986436E+00
  72   -0.794114E-04    0.104500E+03  0.759915E-06 0.100000E-04    0.997409E+00
  73    0.297376E-04    0.103029E+03 -0.288633E-06 0.100000E-04    0.996175E+00
  74    0.231169E-04    0.996825E+02 -0.231905E-06 0.100000E-04    0.999078E+00
  75    0.837053E-04    0.958231E+02 -0.873540E-06 0.100000E-04    0.997934E+00
  76    0.286605E-04    0.939539E+02 -0.305049E-06 0.100000E-04    0.989960E+00
  77   -0.397475E-04    0.934811E+02  0.425193E-06 0.100000E-04    0.991070E+00
  78    0.147384E-04    0.908736E+02 -0.162186E-06 0.100000E-04    0.972094E+00
  79   -0.666544E-05    0.891490E+02  0.747674E-07 0.100000E-04    0.991911E+00
  80    0.208855E-04    0.852797E+02 -0.244906E-06 0.100000E-04    0.998382E+00
  81    0.281557E-04    0.808745E+02 -0.348140E-06 0.100000E-04    0.998845E+00
  82    0.167771E-04    0.800339E+02 -0.209625E-06 0.100000E-04    0.998524E+00
  83    0.144480E-04    0.781725E+02 -0.184821E-06 0.100000E-04    0.988524E+00
  84    0.580658E-04    0.730685E+02 -0.794676E-06 0.100000E-04    0.992830E+00
  85    0.272603E-04    0.726394E+02 -0.375283E-06 0.100000E-04    0.996643E+00
  86    0.195630E-04    0.681954E+02 -0.286867E-06 0.100000E-04    0.981309E+00
  87    0.463189E-04    0.654771E+02 -0.707405E-06 0.100000E-04    0.991280E+00
  88   -0.154028E-04    0.625273E+02  0.246336E-06 0.100000E-04    0.981324E+00
  89    0.739449E-05    0.599627E+02 -0.123318E-06 0.100000E-04    0.965291E+00
  90    0.533457E-04    0.594060E+02 -0.897985E-06 0.100000E-04    0.998344E+00
  91   -0.502078E-04    0.588403E+02  0.853289E-06 0.100000E-04    0.977934E+00
  92   -0.610164E-04    0.560371E+02  0.108886E-05 0.100000E-04    0.998637E+00
  93   -0.929597E-05    0.525678E+02  0.176838E-06 0.100000E-04    0.970787E+00
  94    0.572252E-04    0.523059E+02 -0.109405E-05 0.100000E-04    0.999663E+00
  95    0.100985E-04    0.500124E+02 -0.201919E-06 0.100000E-04    0.999927E+00
  96   -0.704485E-05    0.469728E+02  0.149977E-06 0.100000E-04    0.925071E+00
  97   -0.420845E-04    0.429401E+02  0.980074E-06 0.100000E-04    0.980182E+00
  98   -0.567686E-04    0.406556E+02  0.139633E-05 0.100000E-04    0.991211E+00
  99   -0.119695E-03    0.377873E+02  0.316760E-05 0.100000E-04    0.994331E+00
 100    0.805845E-04    0.363983E+02 -0.221396E-05 0.100000E-04    0.994056E+00
 101    0.251603E-04    0.333994E+02 -0.753318E-06 0.100000E-04    0.956566E+00
 102   -0.110214E-03    0.287864E+02  0.382868E-05 0.100000E-04    0.995391E+00
 103    0.466687E-04    0.285260E+02 -0.163600E-05 0.100000E-04    0.996560E+00
 104   -0.134985E-03    0.267297E+02  0.505001E-05 0.100000E-04    0.998078E+00
 105   -0.720909E-04    0.231836E+02  0.310956E-05 0.100000E-04    0.982607E+00
 106   -0.648802E-04    0.210195E+02  0.308666E-05 0.100000E-04    0.962023E+00
 107   -0.431277E-04    0.204974E+02  0.210406E-05 0.100000E-04    0.965769E+00
 108    0.850304E-05    0.167185E+02 -0.508600E-06 0.100000E-04    0.571220E+00
 109   -0.703174E-04    0.138412E+02  0.508030E-05 0.100000E-04    0.975972E+00
 110   -0.128826E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.499161E+00
 111   -0.224428E-03    0.100306E+02  0.100000E-04 0.100000E-04    0.615243E+00
 112   -0.165517E-01    0.852345E+01  0.192762E-04 0.192762E-04    0.119575E+00
 113   -0.347311E-01    0.634834E+01  0.396518E-04 0.396518E-04    0.140210E+00
 114   -0.809585E+00    0.369375E+01 -0.400000E-03 0.400000E-03    0.176040E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2095525921    

 Beginning of optimization cycle  430.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3271696055
 potential> RMS force:                                               0.0760563279   |gradient|=.8120593650    
 Eigenvalues of the Hessian matrix:
   739.91965    674.34883    628.30252    602.89174    587.29826    575.74345 
   566.99700    485.59994    462.69124    460.66867    441.63908    428.99959 
   422.09217    408.52084    396.88109    388.49659    368.85051    360.92601 
   350.07165    335.03682    327.51233    321.64560    319.72588    310.71036 
   302.41114    289.60822    278.37807    271.54388    267.69478    264.70731 
   261.47353    253.81700    241.80405    239.56417    233.98092    227.91534 
   218.09610    214.50221    212.96812    207.19444    203.47829    196.63335 
   194.90931    191.35818    183.31741    174.20165    172.28896    167.77076 
   164.17132    157.86923    154.46035    151.91299    147.71032    143.47177 
   137.48679    135.93765    130.52060    128.49963    126.49092    125.08543 
   119.89826    118.14030    117.11309    110.52408    107.25082    104.49818 
   103.02741     99.68169     95.82584     93.96089     93.46390     90.87699 
    89.14244     85.28259     80.87392     80.03640     78.17113     73.07245 
    72.64282     68.19414     65.46845     62.51653     59.96345     59.40445 
    58.83369     56.03654     52.56692     52.30504     50.01245     46.96572 
    42.94225     40.65853     37.79012     36.39991     33.38664     28.78633 
    28.52477     26.72246     23.18564     21.02246     20.49080     16.71687 
    13.84181     12.23912     10.03179      8.52206      6.33961      3.68794 
overlap for current and previous eigenvector    109 is         0.9999998065
overlap for current and previous eigenvector    110 is         0.9999997018
overlap for current and previous eigenvector    111 is         0.9999997597
overlap for current and previous eigenvector    112 is         0.9999990158
overlap for current and previous eigenvector    113 is         0.9999988478
overlap for current and previous eigenvector    114 is         0.9999996395
J1,K1,R1,R2,RAT=   7   7   -0.5494245043E-02     2.005311990        0.9945057550    
FOB,PFOB,DIAG,PSTEP=   -0.7584673756E-05   -0.7543225649E-05     739.9196471        0.1019558426E-07
J1,K1,R1,R2,RAT=   8   8   -0.9072282072E-02     2.009053998        0.9909277179    
FOB,PFOB,DIAG,PSTEP=   -0.7094781859E-05   -0.7030994114E-05     674.3488309        0.1042644114E-07
J1,K1,R1,R2,RAT=   9   9   -0.5608669684E-01     2.056036560        0.9439133032    
FOB,PFOB,DIAG,PSTEP=   -0.2448392521E-05   -0.2318360101E-05     628.3025172        0.3689971243E-08
J1,K1,R1,R2,RAT=  10  10   -0.1704919314E-03     2.000228578        0.9998295081    
FOB,PFOB,DIAG,PSTEP=    0.2913249572E-05    0.2912752986E-05     602.8917443       -0.4831163173E-08
J1,K1,R1,R2,RAT=  11  11    0.1688433052E-01     1.983146261        0.9831156695    
FOB,PFOB,DIAG,PSTEP=   -0.2049334008E-05   -0.2084529352E-05     587.2982626        0.3549299566E-08
J1,K1,R1,R2,RAT= 109 109   -0.1762859371E-01     2.017539680        0.9823714063    
FOB,PFOB,DIAG,PSTEP=   -0.7155702843E-04   -0.7031737685E-04     13.84181148        0.5080296261E-05
J1,K1,R1,R2,RAT= 110 110   -0.4846808169         210.9999477        0.5153191831    
FOB,PFOB,DIAG,PSTEP=   -0.1294192781E-01   -0.1288260715E-01     12.23911913        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3798627440         4.094463974        0.6201372560    
FOB,PFOB,DIAG,PSTEP=   -0.1863204748E-03   -0.2244275029E-03     10.03178878        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7973720921         202.3125192        0.2026279079    
FOB,PFOB,DIAG,PSTEP=   -0.1668269092E-01   -0.1655170457E-01     8.522056049        0.1927616519E-04
J1,K1,R1,R2,RAT= 113 113   -0.8191313435         277.1464185        0.1808686565    
FOB,PFOB,DIAG,PSTEP=   -0.3493704863E-01   -0.3473113800E-01     6.339609639        0.3965178282E-04
J1,K1,R1,R2,RAT= 114 114    0.9813449797        -1098.593755        0.1865502033E-01
FOB,PFOB,DIAG,PSTEP=   -0.8110325733       -0.8095849182         3.687936248       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
    -0.00002     -0.00001     -0.00002     -0.00003     -0.00001     -0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00002      0.00001     -0.00001     -0.00003     -0.00001     -0.00008 
    -0.00003     -0.00002      0.00008     -0.00003     -0.00004      0.00001 
    -0.00001      0.00002      0.00003      0.00002      0.00001      0.00006 
     0.00003      0.00002      0.00005     -0.00002      0.00001      0.00005 
    -0.00005     -0.00006     -0.00001      0.00006      0.00001     -0.00001 
    -0.00004     -0.00006     -0.00012      0.00008     -0.00002     -0.00011 
     0.00005      0.00014      0.00007     -0.00006     -0.00004      0.00001 
    -0.00007     -0.01294     -0.00019     -0.01668     -0.03494     -0.81103 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4059604946
 Log product of positive Hessian eigenvalues =          519.4020089754
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6879362475
 Unscaled step for mode    7=        0.0000000103
 Unscaled step for mode    8=        0.0000000105
 Unscaled step for mode    9=        0.0000000039
 Unscaled step for mode   10=       -0.0000000048
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000126
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000068
 Unscaled step for mode   15=       -0.0000000045
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000094
 Unscaled step for mode   18=       -0.0000000102
 Unscaled step for mode   19=        0.0000000467
 Unscaled step for mode   20=       -0.0000000109
 Unscaled step for mode   21=       -0.0000000124
 Unscaled step for mode   22=        0.0000000300
 Unscaled step for mode   23=       -0.0000000056
 Unscaled step for mode   24=        0.0000000166
 Unscaled step for mode   25=        0.0000000679
 Unscaled step for mode   26=        0.0000001085
 Unscaled step for mode   27=        0.0000000539
 Unscaled step for mode   28=       -0.0000000367
 Unscaled step for mode   29=       -0.0000000913
 Unscaled step for mode   30=        0.0000000778
 Unscaled step for mode   31=        0.0000000759
 Unscaled step for mode   32=        0.0000000377
 Unscaled step for mode   33=       -0.0000000542
 Unscaled step for mode   34=        0.0000000655
 Unscaled step for mode   35=       -0.0000000947
 Unscaled step for mode   36=       -0.0000000913
 Unscaled step for mode   37=        0.0000000810
 Unscaled step for mode   38=       -0.0000000182
 Unscaled step for mode   39=        0.0000000908
 Unscaled step for mode   40=        0.0000001178
 Unscaled step for mode   41=        0.0000002051
 Unscaled step for mode   42=        0.0000000885
 Unscaled step for mode   43=        0.0000000936
 Unscaled step for mode   44=        0.0000001853
 Unscaled step for mode   45=       -0.0000000213
 Unscaled step for mode   46=       -0.0000001662
 Unscaled step for mode   47=        0.0000001357
 Unscaled step for mode   48=       -0.0000000340
 Unscaled step for mode   49=       -0.0000001594
 Unscaled step for mode   50=        0.0000000382
 Unscaled step for mode   51=        0.0000001007
 Unscaled step for mode   52=        0.0000000424
 Unscaled step for mode   53=        0.0000000879
 Unscaled step for mode   54=        0.0000001428
 Unscaled step for mode   55=        0.0000001412
 Unscaled step for mode   56=        0.0000000459
 Unscaled step for mode   57=        0.0000001006
 Unscaled step for mode   58=        0.0000001803
 Unscaled step for mode   59=        0.0000000448
 Unscaled step for mode   60=        0.0000001755
 Unscaled step for mode   61=        0.0000002593
 Unscaled step for mode   62=        0.0000001755
 Unscaled step for mode   63=       -0.0000001356
 Unscaled step for mode   64=        0.0000003119
 Unscaled step for mode   65=       -0.0000001899
 Unscaled step for mode   66=        0.0000000877
 Unscaled step for mode   67=        0.0000001275
 Unscaled step for mode   68=       -0.0000000735
 Unscaled step for mode   69=        0.0000000711
 Unscaled step for mode   70=        0.0000002938
 Unscaled step for mode   71=        0.0000000672
 Unscaled step for mode   72=        0.0000007620
 Unscaled step for mode   73=        0.0000002873
 Unscaled step for mode   74=        0.0000002302
 Unscaled step for mode   75=       -0.0000008719
 Unscaled step for mode   76=        0.0000002989
 Unscaled step for mode   77=        0.0000004290
 Unscaled step for mode   78=       -0.0000001609
 Unscaled step for mode   79=        0.0000000746
 Unscaled step for mode   80=       -0.0000002438
 Unscaled step for mode   81=       -0.0000003499
 Unscaled step for mode   82=       -0.0000002128
 Unscaled step for mode   83=       -0.0000001823
 Unscaled step for mode   84=       -0.0000007940
 Unscaled step for mode   85=       -0.0000003673
 Unscaled step for mode   86=       -0.0000002860
 Unscaled step for mode   87=       -0.0000007049
 Unscaled step for mode   88=        0.0000002534
 Unscaled step for mode   89=       -0.0000001274
 Unscaled step for mode   90=       -0.0000008903
 Unscaled step for mode   91=        0.0000008533
 Unscaled step for mode   92=        0.0000010886
 Unscaled step for mode   93=        0.0000001898
 Unscaled step for mode   94=       -0.0000010936
 Unscaled step for mode   95=       -0.0000001967
 Unscaled step for mode   96=        0.0000001503
 Unscaled step for mode   97=        0.0000009645
 Unscaled step for mode   98=        0.0000013909
 Unscaled step for mode   99=        0.0000031479
 Unscaled step for mode  100=       -0.0000021974
 Unscaled step for mode  101=        0.0000007285
 Unscaled step for mode  102=        0.0000038237
 Unscaled step for mode  103=       -0.0000016519
 Unscaled step for mode  104=       -0.0000050939
 Unscaled step for mode  105=       -0.0000030836
 Unscaled step for mode  106=        0.0000030057
 Unscaled step for mode  107=        0.0000021021
 Unscaled step for mode  108=       -0.0000003939
 Unscaled step for mode  109=        0.0000051696
 Unscaled step for mode  110=        0.0010574220
 Unscaled step for mode  111=        0.0000185730
 Unscaled step for mode  112=        0.0019575824
 Unscaled step for mode  113=        0.0055107475
 Unscaled step for mode  114=       -0.2101984309
 Largest modulus ratio of non-zero e/values=           200.6324398    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.293602E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.245615E-14    0.100685E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.197850E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.678711E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.100133E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.900633E-15    0.974064E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.758467E-05    0.739920E+03  0.102507E-07 0.100000E-04    0.994506E+00
   8   -0.709478E-05    0.674349E+03  0.105209E-07 0.100000E-04    0.990928E+00
   9   -0.244839E-05    0.628303E+03  0.389684E-08 0.100000E-04    0.943913E+00
  10    0.291325E-05    0.602892E+03 -0.483213E-08 0.100000E-04    0.999830E+00
  11   -0.204933E-05    0.587298E+03  0.348943E-08 0.100000E-04    0.983116E+00
  12   -0.724494E-05    0.575743E+03  0.125836E-07 0.100000E-04    0.971902E+00
  13   -0.354427E-05    0.566997E+03  0.625096E-08 0.100000E-04    0.991276E+00
  14    0.331640E-05    0.485600E+03 -0.682949E-08 0.100000E-04    0.965653E+00
  15    0.210046E-05    0.462691E+03 -0.453966E-08 0.100000E-04    0.975865E+00
  16    0.742237E-05    0.460669E+03 -0.161122E-07 0.100000E-04    0.995827E+00
  17    0.414958E-05    0.441639E+03 -0.939586E-08 0.100000E-04    0.975628E+00
  18    0.438464E-05    0.429000E+03 -0.102206E-07 0.100000E-04    0.978396E+00
  19   -0.197218E-04    0.422092E+03  0.467238E-07 0.100000E-04    0.999652E+00
  20    0.446905E-05    0.408521E+03 -0.109396E-07 0.100000E-04    0.973751E+00
  21    0.490152E-05    0.396881E+03 -0.123501E-07 0.100000E-04    0.978773E+00
  22   -0.116463E-04    0.388497E+03  0.299779E-07 0.100000E-04    0.990559E+00
  23    0.206669E-05    0.368851E+03 -0.560306E-08 0.100000E-04    0.928819E+00
  24   -0.598659E-05    0.360926E+03  0.165868E-07 0.100000E-04    0.979199E+00
  25   -0.237748E-04    0.350072E+03  0.679141E-07 0.100000E-04    0.998388E+00
  26   -0.363410E-04    0.335037E+03  0.108469E-06 0.100000E-04    0.999488E+00
  27   -0.176385E-04    0.327512E+03  0.538560E-07 0.100000E-04    0.996080E+00
  28    0.118116E-04    0.321646E+03 -0.367225E-07 0.100000E-04    0.992622E+00
  29    0.291938E-04    0.319726E+03 -0.913090E-07 0.100000E-04    0.995091E+00
  30   -0.241847E-04    0.310710E+03  0.778367E-07 0.100000E-04    0.997728E+00
  31   -0.229652E-04    0.302411E+03  0.759404E-07 0.100000E-04    0.994269E+00
  32   -0.109292E-04    0.289608E+03  0.377379E-07 0.100000E-04    0.985214E+00
  33    0.150869E-04    0.278378E+03 -0.541958E-07 0.100000E-04    0.998369E+00
  34   -0.177842E-04    0.271544E+03  0.654930E-07 0.100000E-04    0.995305E+00
  35    0.253434E-04    0.267695E+03 -0.946728E-07 0.100000E-04    0.996601E+00
  36    0.241595E-04    0.264707E+03 -0.912686E-07 0.100000E-04    0.992163E+00
  37   -0.211853E-04    0.261474E+03  0.810228E-07 0.100000E-04    0.997376E+00
  38    0.461138E-05    0.253817E+03 -0.181681E-07 0.100000E-04    0.980997E+00
  39   -0.219460E-04    0.241804E+03  0.907594E-07 0.100000E-04    0.998693E+00
  40   -0.282185E-04    0.239564E+03  0.117791E-06 0.100000E-04    0.989135E+00
  41   -0.479848E-04    0.233981E+03  0.205080E-06 0.100000E-04    0.996889E+00
  42   -0.201756E-04    0.227915E+03  0.885224E-07 0.100000E-04    0.987725E+00
  43   -0.204094E-04    0.218096E+03  0.935796E-07 0.100000E-04    0.997071E+00
  44   -0.397457E-04    0.214502E+03  0.185293E-06 0.100000E-04    0.990966E+00
  45    0.454054E-05    0.212968E+03 -0.213203E-07 0.100000E-04    0.980478E+00
  46    0.344434E-04    0.207194E+03 -0.166237E-06 0.100000E-04    0.995427E+00
  47   -0.276101E-04    0.203478E+03  0.135691E-06 0.100000E-04    0.998644E+00
  48    0.669091E-05    0.196633E+03 -0.340274E-07 0.100000E-04    0.987005E+00
  49    0.310721E-04    0.194909E+03 -0.159418E-06 0.100000E-04    0.996764E+00
  50   -0.730815E-05    0.191358E+03  0.381909E-07 0.100000E-04    0.969041E+00
  51   -0.184675E-04    0.183317E+03  0.100740E-06 0.100000E-04    0.997889E+00
  52   -0.738012E-05    0.174202E+03  0.423654E-07 0.100000E-04    0.998738E+00
  53   -0.151395E-04    0.172289E+03  0.878727E-07 0.100000E-04    0.995947E+00
  54   -0.239641E-04    0.167771E+03  0.142838E-06 0.100000E-04    0.999547E+00
  55   -0.231748E-04    0.164171E+03  0.141162E-06 0.100000E-04    0.996353E+00
  56   -0.724547E-05    0.157869E+03  0.458954E-07 0.100000E-04    0.971279E+00
  57   -0.155427E-04    0.154460E+03  0.100626E-06 0.100000E-04    0.995282E+00
  58   -0.273950E-04    0.151913E+03  0.180334E-06 0.100000E-04    0.998366E+00
  59   -0.662137E-05    0.147710E+03  0.448267E-07 0.100000E-04    0.978855E+00
  60   -0.251820E-04    0.143472E+03  0.175519E-06 0.100000E-04    0.996549E+00
  61   -0.356524E-04    0.137487E+03  0.259315E-06 0.100000E-04    0.995220E+00
  62   -0.238582E-04    0.135938E+03  0.175509E-06 0.100000E-04    0.999331E+00
  63    0.177015E-04    0.130521E+03 -0.135622E-06 0.100000E-04    0.984197E+00
  64   -0.400745E-04    0.128500E+03  0.311865E-06 0.100000E-04    0.997267E+00
  65    0.240181E-04    0.126491E+03 -0.189880E-06 0.100000E-04    0.989611E+00
  66   -0.109758E-04    0.125085E+03  0.877464E-07 0.100000E-04    0.991968E+00
  67   -0.152869E-04    0.119898E+03  0.127499E-06 0.100000E-04    0.980084E+00
  68    0.867813E-05    0.118140E+03 -0.734561E-07 0.100000E-04    0.988198E+00
  69   -0.832532E-05    0.117113E+03  0.710878E-07 0.100000E-04    0.995153E+00
  70   -0.324672E-04    0.110524E+03  0.293756E-06 0.100000E-04    0.995110E+00
  71   -0.720229E-05    0.107251E+03  0.671537E-07 0.100000E-04    0.990204E+00
  72   -0.796265E-04    0.104498E+03  0.761989E-06 0.100000E-04    0.997291E+00
  73   -0.295977E-04    0.103027E+03  0.287280E-06 0.100000E-04    0.995297E+00
  74   -0.229493E-04    0.996817E+02  0.230226E-06 0.100000E-04    0.992750E+00
  75    0.835495E-04    0.958258E+02 -0.871889E-06 0.100000E-04    0.998082E+00
  76   -0.280807E-04    0.939609E+02  0.298855E-06 0.100000E-04    0.979620E+00
  77   -0.400914E-04    0.934639E+02  0.428950E-06 0.100000E-04    0.991347E+00
  78    0.146237E-04    0.908770E+02 -0.160917E-06 0.100000E-04    0.992138E+00
  79   -0.664985E-05    0.891424E+02  0.745981E-07 0.100000E-04    0.997661E+00
  80    0.207911E-04    0.852826E+02 -0.243790E-06 0.100000E-04    0.995410E+00
  81    0.283001E-04    0.808739E+02 -0.349929E-06 0.100000E-04    0.994870E+00
  82    0.170290E-04    0.800364E+02 -0.212766E-06 0.100000E-04    0.984987E+00
  83    0.142529E-04    0.781711E+02 -0.182329E-06 0.100000E-04    0.986498E+00
  84    0.580164E-04    0.730725E+02 -0.793958E-06 0.100000E-04    0.999041E+00
  85    0.266849E-04    0.726428E+02 -0.367344E-06 0.100000E-04    0.978799E+00
  86    0.195063E-04    0.681941E+02 -0.286040E-06 0.100000E-04    0.997100E+00
  87    0.461470E-04    0.654685E+02 -0.704874E-06 0.100000E-04    0.996290E+00
  88   -0.158409E-04    0.625165E+02  0.253387E-06 0.100000E-04    0.971551E+00
  89    0.764108E-05    0.599634E+02 -0.127429E-06 0.100000E-04    0.966654E+00
  90    0.528852E-04    0.594045E+02 -0.890257E-06 0.100000E-04    0.991368E+00
  91   -0.502016E-04    0.588337E+02  0.853280E-06 0.100000E-04    0.999877E+00
  92   -0.609998E-04    0.560365E+02  0.108857E-05 0.100000E-04    0.999728E+00
  93   -0.997788E-05    0.525669E+02  0.189813E-06 0.100000E-04    0.926644E+00
  94    0.572014E-04    0.523050E+02 -0.109361E-05 0.100000E-04    0.999586E+00
  95    0.983885E-05    0.500125E+02 -0.196728E-06 0.100000E-04    0.974291E+00
  96   -0.706013E-05    0.469657E+02  0.150325E-06 0.100000E-04    0.997832E+00
  97   -0.414162E-04    0.429423E+02  0.964462E-06 0.100000E-04    0.984021E+00
  98   -0.565529E-04    0.406585E+02  0.139092E-05 0.100000E-04    0.996057E+00
  99   -0.118958E-03    0.377901E+02  0.314786E-05 0.100000E-04    0.993693E+00
 100    0.799858E-04    0.363999E+02 -0.219742E-05 0.100000E-04    0.992484E+00
 101   -0.243212E-04    0.333866E+02  0.728470E-06 0.100000E-04    0.966634E+00
 102   -0.110072E-03    0.287863E+02  0.382374E-05 0.100000E-04    0.998709E+00
 103    0.471214E-04    0.285248E+02 -0.165195E-05 0.100000E-04    0.990299E+00
 104    0.136122E-03    0.267225E+02 -0.509391E-05 0.100000E-04    0.991578E+00
 105    0.714946E-04    0.231856E+02 -0.308357E-05 0.100000E-04    0.991557E+00
 106   -0.631876E-04    0.210225E+02  0.300572E-05 0.100000E-04    0.973638E+00
 107   -0.430740E-04    0.204908E+02  0.210212E-05 0.100000E-04    0.998754E+00
 108    0.658426E-05    0.167169E+02 -0.393869E-06 0.100000E-04    0.774319E+00
 109   -0.715570E-04    0.138418E+02  0.516963E-05 0.100000E-04    0.982371E+00
 110   -0.129419E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.515319E+00
 111   -0.186320E-03    0.100318E+02  0.100000E-04 0.100000E-04    0.620137E+00
 112   -0.166827E-01    0.852206E+01  0.173659E-04 0.173659E-04    0.202628E+00
 113   -0.349370E-01    0.633961E+01  0.432204E-04 0.432204E-04    0.180869E+00
 114   -0.811033E+00    0.368794E+01 -0.400000E-03 0.400000E-03    0.186550E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2101984309    

 Beginning of optimization cycle  431.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3268468220
 potential> RMS force:                                               0.0761926263   |gradient|=.8135146337    
 Eigenvalues of the Hessian matrix:
   739.98739    674.35463    628.31841    602.87442    587.28909    575.78480 
   566.99169    485.62676    462.66796    460.66234    441.64230    428.99448 
   422.09310    408.52328    396.87610    388.49058    368.86235    360.91874 
   350.06371    335.03306    327.53075    321.64999    319.71350    310.69576 
   302.39284    289.61943    278.37606    271.55582    267.70242    264.70940 
   261.49750    253.81297    241.79923    239.57733    233.97364    227.90787 
   218.07624    214.50887    212.97475    207.19648    203.47536    196.62248 
   194.90576    191.35650    183.30858    174.19612    172.29127    167.77440 
   164.16150    157.85719    154.46494    151.91860    147.69981    143.47322 
   137.49166    135.93743    130.51918    128.50371    126.49544    125.07859 
   119.89948    118.14077    117.11310    110.52011    107.24620    104.49597 
   103.02566     99.68080     95.82857     93.96780     93.44668     90.88046 
    89.13582     85.28554     80.87329     80.03897     78.16968     73.07639 
    72.64607     68.19273     65.45976     62.50560     59.96416     59.40288 
    58.82691     56.03593     52.56597     52.30413     50.01252     46.95850 
    42.94446     40.66144     37.79287     36.40126     33.37383     28.78626 
    28.52351     26.71524     23.18768     21.02537     20.48417     16.71517 
    13.84242     12.23917     10.03302      8.52075      6.33085      3.68213 
overlap for current and previous eigenvector    109 is         0.9999998027
overlap for current and previous eigenvector    110 is         0.9999997004
overlap for current and previous eigenvector    111 is         0.9999997507
overlap for current and previous eigenvector    112 is         0.9999990377
overlap for current and previous eigenvector    113 is         0.9999988612
overlap for current and previous eigenvector    114 is         0.9999996248
J1,K1,R1,R2,RAT=   7   7   -0.3472812253E-02     2.003289729        0.9965271877    
FOB,PFOB,DIAG,PSTEP=   -0.7611016316E-05   -0.7584673756E-05     739.9873869        0.1025067220E-07
J1,K1,R1,R2,RAT=   8   8   -0.1123539298E-01     2.011218187        0.9887646070    
FOB,PFOB,DIAG,PSTEP=   -0.7174495207E-05   -0.7094781859E-05     674.3546323        0.1052093743E-07
J1,K1,R1,R2,RAT=   9   9   -0.2508284179E-01     2.025032259        0.9749171582    
FOB,PFOB,DIAG,PSTEP=   -0.2509806716E-05   -0.2448392521E-05     628.3184083        0.3896837039E-08
J1,K1,R1,R2,RAT=  10  10    0.1639981549E-01     1.983657654        0.9836001845    
FOB,PFOB,DIAG,PSTEP=    0.2865474189E-05    0.2913249572E-05     602.8744209       -0.4832127159E-08
J1,K1,R1,R2,RAT=  11  11   -0.2995237182E-02     2.003026474        0.9970047628    
FOB,PFOB,DIAG,PSTEP=   -0.2055472153E-05   -0.2049334008E-05     587.2890900        0.3489426307E-08
J1,K1,R1,R2,RAT= 109 109    0.2628287515E-02     1.997283366        0.9972833664    
FOB,PFOB,DIAG,PSTEP=   -0.7136894768E-04   -0.7155702843E-04     13.84242294        0.5169628885E-05
J1,K1,R1,R2,RAT= 110 110   -0.4604439269         211.9442677        0.5395560731    
FOB,PFOB,DIAG,PSTEP=   -0.1299828231E-01   -0.1294192781E-01     12.23916570        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3814693969         3.332677244        0.6185306031    
FOB,PFOB,DIAG,PSTEP=   -0.1480475868E-03   -0.1863204748E-03     10.03301662        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112    -1.024020888         226.5106699        0.2402088819E-01
FOB,PFOB,DIAG,PSTEP=   -0.1683421585E-01   -0.1668269092E-01     8.520745741        0.1736591459E-04
J1,K1,R1,R2,RAT= 113 113   -0.7499633160         256.1170625        0.2500366840    
FOB,PFOB,DIAG,PSTEP=   -0.3514225521E-01   -0.3493704863E-01     6.330850386        0.4322044328E-04
J1,K1,R1,R2,RAT= 114 114    0.9805755224        -1102.290816        0.1942447761E-01
FOB,PFOB,DIAG,PSTEP=   -0.8124768143       -0.8110325733         3.682125816       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
    -0.00002     -0.00001     -0.00002     -0.00003      0.00001      0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00002      0.00001     -0.00001     -0.00003     -0.00001     -0.00008 
    -0.00003     -0.00002      0.00008     -0.00003     -0.00004      0.00001 
    -0.00001      0.00002      0.00003      0.00002     -0.00001     -0.00006 
     0.00003      0.00002      0.00005     -0.00002      0.00001      0.00005 
    -0.00005     -0.00006     -0.00001      0.00006      0.00001     -0.00001 
    -0.00004     -0.00006     -0.00012      0.00008      0.00002      0.00011 
    -0.00005     -0.00014      0.00007     -0.00006     -0.00005      0.00000 
    -0.00007     -0.01300     -0.00015     -0.01683     -0.03514     -0.81248 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4057204442
 Log product of positive Hessian eigenvalues =          519.3975657359
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6821258158
 Unscaled step for mode    7=        0.0000000103
 Unscaled step for mode    8=        0.0000000106
 Unscaled step for mode    9=        0.0000000040
 Unscaled step for mode   10=       -0.0000000048
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000128
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000070
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000092
 Unscaled step for mode   18=       -0.0000000102
 Unscaled step for mode   19=        0.0000000467
 Unscaled step for mode   20=       -0.0000000108
 Unscaled step for mode   21=       -0.0000000122
 Unscaled step for mode   22=        0.0000000301
 Unscaled step for mode   23=       -0.0000000059
 Unscaled step for mode   24=        0.0000000167
 Unscaled step for mode   25=        0.0000000680
 Unscaled step for mode   26=        0.0000001083
 Unscaled step for mode   27=        0.0000000538
 Unscaled step for mode   28=       -0.0000000365
 Unscaled step for mode   29=       -0.0000000915
 Unscaled step for mode   30=        0.0000000782
 Unscaled step for mode   31=        0.0000000765
 Unscaled step for mode   32=        0.0000000380
 Unscaled step for mode   33=       -0.0000000539
 Unscaled step for mode   34=        0.0000000655
 Unscaled step for mode   35=       -0.0000000951
 Unscaled step for mode   36=       -0.0000000918
 Unscaled step for mode   37=        0.0000000810
 Unscaled step for mode   38=       -0.0000000184
 Unscaled step for mode   39=        0.0000000907
 Unscaled step for mode   40=        0.0000001185
 Unscaled step for mode   41=        0.0000002055
 Unscaled step for mode   42=        0.0000000894
 Unscaled step for mode   43=        0.0000000941
 Unscaled step for mode   44=        0.0000001866
 Unscaled step for mode   45=       -0.0000000213
 Unscaled step for mode   46=       -0.0000001668
 Unscaled step for mode   47=        0.0000001358
 Unscaled step for mode   48=       -0.0000000336
 Unscaled step for mode   49=       -0.0000001603
 Unscaled step for mode   50=        0.0000000363
 Unscaled step for mode   51=        0.0000001010
 Unscaled step for mode   52=        0.0000000427
 Unscaled step for mode   53=        0.0000000877
 Unscaled step for mode   54=        0.0000001436
 Unscaled step for mode   55=        0.0000001416
 Unscaled step for mode   56=        0.0000000457
 Unscaled step for mode   57=        0.0000001008
 Unscaled step for mode   58=        0.0000001807
 Unscaled step for mode   59=       -0.0000000448
 Unscaled step for mode   60=       -0.0000001758
 Unscaled step for mode   61=        0.0000002579
 Unscaled step for mode   62=        0.0000001750
 Unscaled step for mode   63=       -0.0000001327
 Unscaled step for mode   64=        0.0000003125
 Unscaled step for mode   65=       -0.0000001884
 Unscaled step for mode   66=        0.0000000862
 Unscaled step for mode   67=        0.0000001295
 Unscaled step for mode   68=       -0.0000000732
 Unscaled step for mode   69=        0.0000000707
 Unscaled step for mode   70=        0.0000002962
 Unscaled step for mode   71=        0.0000000673
 Unscaled step for mode   72=        0.0000007620
 Unscaled step for mode   73=        0.0000002868
 Unscaled step for mode   74=        0.0000002282
 Unscaled step for mode   75=       -0.0000008715
 Unscaled step for mode   76=        0.0000002928
 Unscaled step for mode   77=        0.0000004320
 Unscaled step for mode   78=       -0.0000001643
 Unscaled step for mode   79=        0.0000000736
 Unscaled step for mode   80=       -0.0000002444
 Unscaled step for mode   81=       -0.0000003512
 Unscaled step for mode   82=       -0.0000002167
 Unscaled step for mode   83=        0.0000001847
 Unscaled step for mode   84=        0.0000007913
 Unscaled step for mode   85=       -0.0000003585
 Unscaled step for mode   86=       -0.0000002866
 Unscaled step for mode   87=       -0.0000007035
 Unscaled step for mode   88=        0.0000002540
 Unscaled step for mode   89=       -0.0000001332
 Unscaled step for mode   90=       -0.0000008839
 Unscaled step for mode   91=        0.0000008539
 Unscaled step for mode   92=        0.0000010945
 Unscaled step for mode   93=        0.0000002023
 Unscaled step for mode   94=       -0.0000010896
 Unscaled step for mode   95=       -0.0000001847
 Unscaled step for mode   96=        0.0000001505
 Unscaled step for mode   97=        0.0000009483
 Unscaled step for mode   98=        0.0000013889
 Unscaled step for mode   99=        0.0000031283
 Unscaled step for mode  100=       -0.0000021965
 Unscaled step for mode  101=       -0.0000006943
 Unscaled step for mode  102=       -0.0000038145
 Unscaled step for mode  103=        0.0000016598
 Unscaled step for mode  104=        0.0000050766
 Unscaled step for mode  105=       -0.0000030833
 Unscaled step for mode  106=        0.0000029738
 Unscaled step for mode  107=        0.0000022304
 Unscaled step for mode  108=       -0.0000002823
 Unscaled step for mode  109=        0.0000051558
 Unscaled step for mode  110=        0.0010620224
 Unscaled step for mode  111=        0.0000147560
 Unscaled step for mode  112=        0.0019756663
 Unscaled step for mode  113=        0.0055507823
 Unscaled step for mode  114=       -0.2108449605
 Largest modulus ratio of non-zero e/values=           200.9674367    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.361907E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.131449E-14    0.100685E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.262377E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.325450E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.357539E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.588505E-15    0.974065E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.761102E-05    0.739987E+03  0.102853E-07 0.100000E-04    0.996527E+00
   8   -0.717450E-05    0.674355E+03  0.106391E-07 0.100000E-04    0.988765E+00
   9   -0.250981E-05    0.628318E+03  0.399448E-08 0.100000E-04    0.974917E+00
  10    0.286547E-05    0.602874E+03 -0.475302E-08 0.100000E-04    0.983600E+00
  11   -0.205547E-05    0.587289E+03  0.349993E-08 0.100000E-04    0.997005E+00
  12   -0.737260E-05    0.575785E+03  0.128044E-07 0.100000E-04    0.982380E+00
  13   -0.358571E-05    0.566992E+03  0.632410E-08 0.100000E-04    0.988308E+00
  14    0.341261E-05    0.485627E+03 -0.702722E-08 0.100000E-04    0.970992E+00
  15    0.213556E-05    0.462668E+03 -0.461575E-08 0.100000E-04    0.983289E+00
  16    0.738766E-05    0.460662E+03 -0.160370E-07 0.100000E-04    0.995324E+00
  17    0.407677E-05    0.441642E+03 -0.923094E-08 0.100000E-04    0.982440E+00
  18    0.437414E-05    0.428994E+03 -0.101963E-07 0.100000E-04    0.997604E+00
  19   -0.197129E-04    0.422093E+03  0.467028E-07 0.100000E-04    0.999548E+00
  20    0.440395E-05    0.408523E+03 -0.107802E-07 0.100000E-04    0.985421E+00
  21    0.483605E-05    0.396876E+03 -0.121853E-07 0.100000E-04    0.986643E+00
  22   -0.116752E-04    0.388491E+03  0.300528E-07 0.100000E-04    0.997519E+00
  23    0.216063E-05    0.368862E+03 -0.585755E-08 0.100000E-04    0.954548E+00
  24   -0.603104E-05    0.360919E+03  0.167102E-07 0.100000E-04    0.992576E+00
  25   -0.238126E-04    0.350064E+03  0.680235E-07 0.100000E-04    0.998412E+00
  26   -0.362915E-04    0.335033E+03  0.108322E-06 0.100000E-04    0.998639E+00
  27   -0.176363E-04    0.327531E+03  0.538464E-07 0.100000E-04    0.999765E+00
  28    0.117464E-04    0.321650E+03 -0.365191E-07 0.100000E-04    0.994448E+00
  29    0.292460E-04    0.319714E+03 -0.914756E-07 0.100000E-04    0.998214E+00
  30   -0.242972E-04    0.310696E+03  0.782026E-07 0.100000E-04    0.995347E+00
  31   -0.231466E-04    0.302393E+03  0.765448E-07 0.100000E-04    0.992102E+00
  32   -0.109980E-04    0.289619E+03  0.379741E-07 0.100000E-04    0.993703E+00
  33    0.150105E-04    0.278376E+03 -0.539216E-07 0.100000E-04    0.994933E+00
  34   -0.177938E-04    0.271556E+03  0.655255E-07 0.100000E-04    0.999460E+00
  35    0.254537E-04    0.267702E+03 -0.950821E-07 0.100000E-04    0.995649E+00
  36    0.242879E-04    0.264709E+03 -0.917531E-07 0.100000E-04    0.994684E+00
  37   -0.211733E-04    0.261498E+03  0.809694E-07 0.100000E-04    0.999249E+00
  38    0.466135E-05    0.253813E+03 -0.183653E-07 0.100000E-04    0.989162E+00
  39   -0.219243E-04    0.241799E+03  0.906715E-07 0.100000E-04    0.999012E+00
  40   -0.283907E-04    0.239577E+03  0.118503E-06 0.100000E-04    0.993898E+00
  41   -0.480831E-04    0.233974E+03  0.205506E-06 0.100000E-04    0.997953E+00
  42   -0.203653E-04    0.227908E+03  0.893578E-07 0.100000E-04    0.990595E+00
  43   -0.205259E-04    0.218076E+03  0.941224E-07 0.100000E-04    0.994291E+00
  44   -0.400190E-04    0.214509E+03  0.186561E-06 0.100000E-04    0.993123E+00
  45    0.454472E-05    0.212975E+03 -0.213392E-07 0.100000E-04    0.999080E+00
  46    0.345582E-04    0.207196E+03 -0.166790E-06 0.100000E-04    0.996665E+00
  47   -0.276254E-04    0.203475E+03  0.135768E-06 0.100000E-04    0.999449E+00
  48    0.661607E-05    0.196622E+03 -0.336486E-07 0.100000E-04    0.988813E+00
  49    0.312427E-04    0.194906E+03 -0.160296E-06 0.100000E-04    0.994511E+00
  50   -0.694688E-05    0.191357E+03  0.363033E-07 0.100000E-04    0.950566E+00
  51   -0.185207E-04    0.183309E+03  0.101036E-06 0.100000E-04    0.997118E+00
  52   -0.743375E-05    0.174196E+03  0.426746E-07 0.100000E-04    0.992733E+00
  53   -0.151175E-04    0.172291E+03  0.877440E-07 0.100000E-04    0.998522E+00
  54   -0.240971E-04    0.167774E+03  0.143628E-06 0.100000E-04    0.994448E+00
  55   -0.232421E-04    0.164162E+03  0.141581E-06 0.100000E-04    0.997095E+00
  56   -0.721217E-05    0.157857E+03  0.456879E-07 0.100000E-04    0.995403E+00
  57   -0.155730E-04    0.154465E+03  0.100819E-06 0.100000E-04    0.998050E+00
  58   -0.274450E-04    0.151919E+03  0.180656E-06 0.100000E-04    0.998173E+00
  59    0.661467E-05    0.147700E+03 -0.447845E-07 0.100000E-04    0.998988E+00
  60    0.252266E-04    0.143473E+03 -0.175828E-06 0.100000E-04    0.998226E+00
  61   -0.354542E-04    0.137492E+03  0.257864E-06 0.100000E-04    0.994370E+00
  62   -0.237932E-04    0.135937E+03  0.175031E-06 0.100000E-04    0.997274E+00
  63    0.173150E-04    0.130519E+03 -0.132663E-06 0.100000E-04    0.978168E+00
  64   -0.401572E-04    0.128504E+03  0.312498E-06 0.100000E-04    0.997937E+00
  65    0.238321E-04    0.126495E+03 -0.188403E-06 0.100000E-04    0.992183E+00
  66   -0.107844E-04    0.125079E+03  0.862213E-07 0.100000E-04    0.982564E+00
  67   -0.155214E-04    0.119899E+03  0.129453E-06 0.100000E-04    0.984664E+00
  68    0.864967E-05    0.118141E+03 -0.732149E-07 0.100000E-04    0.996712E+00
  69   -0.828516E-05    0.117113E+03  0.707449E-07 0.100000E-04    0.995176E+00
  70   -0.327388E-04    0.110520E+03  0.296225E-06 0.100000E-04    0.991633E+00
  71   -0.721678E-05    0.107246E+03  0.672917E-07 0.100000E-04    0.997988E+00
  72   -0.796273E-04    0.104496E+03  0.762013E-06 0.100000E-04    0.999990E+00
  73   -0.295508E-04    0.103026E+03  0.286829E-06 0.100000E-04    0.998413E+00
  74   -0.227521E-04    0.996808E+02  0.228250E-06 0.100000E-04    0.991408E+00
  75    0.835139E-04    0.958286E+02 -0.871493E-06 0.100000E-04    0.999518E+00
  76   -0.275162E-04    0.939678E+02  0.292825E-06 0.100000E-04    0.979752E+00
  77   -0.403660E-04    0.934467E+02  0.431968E-06 0.100000E-04    0.993149E+00
  78    0.149318E-04    0.908805E+02 -0.164302E-06 0.100000E-04    0.978929E+00
  79   -0.655869E-05    0.891358E+02  0.735808E-07 0.100000E-04    0.986290E+00
  80    0.208445E-04    0.852855E+02 -0.244409E-06 0.100000E-04    0.997429E+00
  81    0.283997E-04    0.808733E+02 -0.351163E-06 0.100000E-04    0.996481E+00
  82    0.173461E-04    0.800390E+02 -0.216720E-06 0.100000E-04    0.981383E+00
  83   -0.144377E-04    0.781697E+02  0.184696E-06 0.100000E-04    0.987035E+00
  84   -0.578273E-04    0.730764E+02  0.791326E-06 0.100000E-04    0.996632E+00
  85    0.260423E-04    0.726461E+02 -0.358482E-06 0.100000E-04    0.975830E+00
  86    0.195463E-04    0.681927E+02 -0.286634E-06 0.100000E-04    0.997946E+00
  87    0.460528E-04    0.654598E+02 -0.703528E-06 0.100000E-04    0.997957E+00
  88   -0.158795E-04    0.625056E+02  0.254049E-06 0.100000E-04    0.997560E+00
  89    0.798605E-05    0.599642E+02 -0.133180E-06 0.100000E-04    0.954853E+00
  90    0.525064E-04    0.594029E+02 -0.883903E-06 0.100000E-04    0.992836E+00
  91   -0.502314E-04    0.588269E+02  0.853885E-06 0.100000E-04    0.999407E+00
  92   -0.613319E-04    0.560359E+02  0.109451E-05 0.100000E-04    0.994556E+00
  93   -0.106342E-04    0.525660E+02  0.202301E-06 0.100000E-04    0.934226E+00
  94    0.569891E-04    0.523041E+02 -0.108957E-05 0.100000E-04    0.996287E+00
  95    0.923867E-05    0.500125E+02 -0.184727E-06 0.100000E-04    0.938996E+00
  96   -0.706745E-05    0.469585E+02  0.150504E-06 0.100000E-04    0.998963E+00
  97   -0.407226E-04    0.429445E+02  0.948263E-06 0.100000E-04    0.983153E+00
  98   -0.564766E-04    0.406614E+02  0.138895E-05 0.100000E-04    0.998507E+00
  99   -0.118227E-03    0.377929E+02  0.312830E-05 0.100000E-04    0.993713E+00
 100    0.799552E-04    0.364013E+02 -0.219650E-05 0.100000E-04    0.999543E+00
 101    0.231721E-04    0.333738E+02 -0.694320E-06 0.100000E-04    0.952738E+00
 102    0.109805E-03    0.287863E+02 -0.381449E-05 0.100000E-04    0.997578E+00
 103   -0.473438E-04    0.285235E+02  0.165982E-05 0.100000E-04    0.995281E+00
 104   -0.135622E-03    0.267152E+02  0.507657E-05 0.100000E-04    0.996326E+00
 105    0.714954E-04    0.231877E+02 -0.308334E-05 0.100000E-04    0.999836E+00
 106   -0.625247E-04    0.210254E+02  0.297377E-05 0.100000E-04    0.989233E+00
 107   -0.456872E-04    0.204842E+02  0.223037E-05 0.100000E-04    0.939313E+00
 108    0.471818E-05    0.167152E+02 -0.282269E-06 0.100000E-04    0.716556E+00
 109   -0.713689E-04    0.138424E+02  0.515581E-05 0.100000E-04    0.997283E+00
 110   -0.129983E-01    0.122392E+02  0.100000E-04 0.100000E-04    0.539556E+00
 111   -0.148048E-03    0.100330E+02  0.100000E-04 0.100000E-04    0.618531E+00
 112   -0.168342E-01    0.852075E+01  0.189288E-04 0.189288E-04    0.240209E-01
 113   -0.351423E-01    0.633085E+01  0.389373E-04 0.389373E-04    0.250037E+00
 114   -0.812477E+00    0.368213E+01 -0.400000E-03 0.400000E-03    0.194245E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2108449605    

 Beginning of optimization cycle  432.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3265233496
 potential> RMS force:                                               0.0763287841   |gradient|=.8149684007    
 Eigenvalues of the Hessian matrix:
   740.05494    674.36086    628.33416    602.85680    587.28020    575.82574 
   566.98672    485.65377    462.64479    460.65602    441.64563    428.98901 
   422.09395    408.52579    396.87116    388.48451    368.87420    360.91142 
   350.05556    335.02926    327.54906    321.65451    319.70076    310.68129 
   302.37438    289.63062    278.37391    271.56771    267.70992    264.71136 
   261.52113    253.80880    241.79424    239.59030    233.96628    227.90020 
   218.05642    214.51540    212.98132    207.19851    203.47244    196.61161 
   194.90208    191.35483    183.29964    174.19063    172.29348    167.77794 
   164.15174    157.84520    154.46945    151.92424    147.68941    143.47475 
   137.49646    135.93717    130.51788    128.50769    126.49999    125.07189 
   119.90071    118.14128    117.11320    110.51615    107.24169    104.49385 
   103.02391     99.67995     95.83143     93.97464     93.42945     90.88384 
    89.12925     85.28843     80.87266     80.04143     78.16827     73.08045 
    72.64944     68.19147     65.45123     62.49463     59.96484     59.40148 
    58.82015     56.03539     52.56511     52.30329     50.01255     46.95136 
    42.94662     40.66438     37.79567     36.40283     33.36110     28.78620 
    28.52224     26.70803     23.18966     21.02846     20.47740     16.71348 
    13.84304     12.23922     10.03423      8.51935      6.32209      3.67631 
overlap for current and previous eigenvector    109 is         0.9999998076
overlap for current and previous eigenvector    110 is         0.9999997053
overlap for current and previous eigenvector    111 is        -0.9999997637
overlap for current and previous eigenvector    112 is        -0.9999990450
overlap for current and previous eigenvector    113 is         0.9999988728
overlap for current and previous eigenvector    114 is         0.9999996437
J1,K1,R1,R2,RAT=   7   7   -0.5390252865E-02     2.005207682        0.9946097471    
FOB,PFOB,DIAG,PSTEP=   -0.7652045363E-05   -0.7611016316E-05     740.0549432        0.1028533249E-07
J1,K1,R1,R2,RAT=   8   8    0.6444631070E-02     1.993536907        0.9935369065    
FOB,PFOB,DIAG,PSTEP=   -0.7128257805E-05   -0.7174495207E-05     674.3608575        0.1063905379E-07
J1,K1,R1,R2,RAT=   9   9    0.1362747162E-01     1.986322387        0.9863223872    
FOB,PFOB,DIAG,PSTEP=   -0.2475603539E-05   -0.2509806716E-05     628.3341610        0.3994482229E-08
J1,K1,R1,R2,RAT=  10  10   -0.2969896631E-01     2.029757434        0.9703010337    
FOB,PFOB,DIAG,PSTEP=    0.2950573323E-05    0.2865474189E-05     602.8567970       -0.4753020016E-08
J1,K1,R1,R2,RAT=  11  11   -0.1661622592E-01     2.016646505        0.9833837741    
FOB,PFOB,DIAG,PSTEP=   -0.2089625826E-05   -0.2055472153E-05     587.2801989        0.3499932466E-08
J1,K1,R1,R2,RAT= 109 109    0.5102376284E-02     1.994808966        0.9948089665    
FOB,PFOB,DIAG,PSTEP=   -0.7100478031E-04   -0.7136894768E-04     13.84303658        0.5155813256E-05
J1,K1,R1,R2,RAT= 110 110   -0.4881810873         212.8919701        0.5118189127    
FOB,PFOB,DIAG,PSTEP=   -0.1305803186E-01   -0.1299828231E-01     12.23921887        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.569717497        0.3811331990        0.6188668010    
FOB,PFOB,DIAG,PSTEP=    0.1098038014E-03   -0.1480475868E-03     10.03423094        0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112     209.6006441       -0.8190264007        0.1809735993    
FOB,PFOB,DIAG,PSTEP=    0.1696629325E-01   -0.1683421585E-01     8.519350185        0.1892884690E-04
J1,K1,R1,R2,RAT= 113 113   -0.8508512205         286.3683483        0.1491487795    
FOB,PFOB,DIAG,PSTEP=   -0.3535170529E-01   -0.3514225521E-01     6.322089769        0.3893733629E-04
J1,K1,R1,R2,RAT= 114 114    0.9811848346        -1105.996942        0.1881516541E-01
FOB,PFOB,DIAG,PSTEP=   -0.8139196714       -0.8124768143         3.676313251       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
    -0.00002     -0.00001     -0.00002     -0.00003      0.00001      0.00003 
    -0.00004     -0.00002     -0.00002      0.00004     -0.00002      0.00001 
    -0.00002      0.00001     -0.00001      0.00003     -0.00001     -0.00008 
    -0.00003     -0.00002      0.00008     -0.00003     -0.00004      0.00001 
    -0.00001      0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00003     -0.00002     -0.00005      0.00002     -0.00001     -0.00005 
     0.00005      0.00006     -0.00001      0.00006      0.00001      0.00001 
    -0.00004     -0.00006     -0.00012     -0.00008      0.00002      0.00011 
    -0.00005     -0.00014      0.00007     -0.00006     -0.00004      0.00001 
    -0.00007     -0.01306      0.00011      0.01697     -0.03535     -0.81392 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4054721804
 Log product of positive Hessian eigenvalues =          519.3931262826
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6763132508
 Unscaled step for mode    7=        0.0000000103
 Unscaled step for mode    8=        0.0000000106
 Unscaled step for mode    9=        0.0000000039
 Unscaled step for mode   10=       -0.0000000049
 Unscaled step for mode   11=        0.0000000036
 Unscaled step for mode   12=        0.0000000127
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000070
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000162
 Unscaled step for mode   17=       -0.0000000094
 Unscaled step for mode   18=       -0.0000000103
 Unscaled step for mode   19=        0.0000000469
 Unscaled step for mode   20=       -0.0000000108
 Unscaled step for mode   21=       -0.0000000123
 Unscaled step for mode   22=        0.0000000301
 Unscaled step for mode   23=       -0.0000000056
 Unscaled step for mode   24=        0.0000000168
 Unscaled step for mode   25=        0.0000000682
 Unscaled step for mode   26=        0.0000001085
 Unscaled step for mode   27=        0.0000000539
 Unscaled step for mode   28=       -0.0000000365
 Unscaled step for mode   29=       -0.0000000922
 Unscaled step for mode   30=        0.0000000777
 Unscaled step for mode   31=        0.0000000764
 Unscaled step for mode   32=        0.0000000380
 Unscaled step for mode   33=       -0.0000000544
 Unscaled step for mode   34=        0.0000000660
 Unscaled step for mode   35=       -0.0000000947
 Unscaled step for mode   36=       -0.0000000916
 Unscaled step for mode   37=        0.0000000811
 Unscaled step for mode   38=       -0.0000000185
 Unscaled step for mode   39=        0.0000000909
 Unscaled step for mode   40=        0.0000001191
 Unscaled step for mode   41=        0.0000002055
 Unscaled step for mode   42=        0.0000000891
 Unscaled step for mode   43=        0.0000000937
 Unscaled step for mode   44=        0.0000001865
 Unscaled step for mode   45=       -0.0000000223
 Unscaled step for mode   46=       -0.0000001669
 Unscaled step for mode   47=        0.0000001351
 Unscaled step for mode   48=       -0.0000000342
 Unscaled step for mode   49=       -0.0000001598
 Unscaled step for mode   50=        0.0000000382
 Unscaled step for mode   51=        0.0000001009
 Unscaled step for mode   52=        0.0000000430
 Unscaled step for mode   53=        0.0000000881
 Unscaled step for mode   54=        0.0000001436
 Unscaled step for mode   55=        0.0000001417
 Unscaled step for mode   56=        0.0000000458
 Unscaled step for mode   57=        0.0000001017
 Unscaled step for mode   58=        0.0000001807
 Unscaled step for mode   59=       -0.0000000453
 Unscaled step for mode   60=       -0.0000001760
 Unscaled step for mode   61=        0.0000002605
 Unscaled step for mode   62=        0.0000001746
 Unscaled step for mode   63=        0.0000001344
 Unscaled step for mode   64=       -0.0000003139
 Unscaled step for mode   65=        0.0000001904
 Unscaled step for mode   66=       -0.0000000863
 Unscaled step for mode   67=        0.0000001287
 Unscaled step for mode   68=       -0.0000000735
 Unscaled step for mode   69=        0.0000000720
 Unscaled step for mode   70=       -0.0000002943
 Unscaled step for mode   71=        0.0000000668
 Unscaled step for mode   72=        0.0000007659
 Unscaled step for mode   73=        0.0000002871
 Unscaled step for mode   74=        0.0000002290
 Unscaled step for mode   75=       -0.0000008721
 Unscaled step for mode   76=        0.0000002896
 Unscaled step for mode   77=        0.0000004369
 Unscaled step for mode   78=       -0.0000001640
 Unscaled step for mode   79=        0.0000000739
 Unscaled step for mode   80=       -0.0000002431
 Unscaled step for mode   81=       -0.0000003515
 Unscaled step for mode   82=       -0.0000002156
 Unscaled step for mode   83=        0.0000001819
 Unscaled step for mode   84=       -0.0000007989
 Unscaled step for mode   85=        0.0000003605
 Unscaled step for mode   86=        0.0000002904
 Unscaled step for mode   87=        0.0000007078
 Unscaled step for mode   88=       -0.0000002564
 Unscaled step for mode   89=        0.0000001272
 Unscaled step for mode   90=        0.0000008803
 Unscaled step for mode   91=       -0.0000008693
 Unscaled step for mode   92=       -0.0000010876
 Unscaled step for mode   93=        0.0000002091
 Unscaled step for mode   94=       -0.0000010932
 Unscaled step for mode   95=       -0.0000001917
 Unscaled step for mode   96=       -0.0000001599
 Unscaled step for mode   97=        0.0000009675
 Unscaled step for mode   98=        0.0000013995
 Unscaled step for mode   99=        0.0000031458
 Unscaled step for mode  100=        0.0000021941
 Unscaled step for mode  101=       -0.0000007253
 Unscaled step for mode  102=       -0.0000038363
 Unscaled step for mode  103=        0.0000016600
 Unscaled step for mode  104=        0.0000051223
 Unscaled step for mode  105=       -0.0000031041
 Unscaled step for mode  106=        0.0000030268
 Unscaled step for mode  107=        0.0000020537
 Unscaled step for mode  108=       -0.0000004100
 Unscaled step for mode  109=        0.0000051293
 Unscaled step for mode  110=        0.0010668995
 Unscaled step for mode  111=       -0.0000109429
 Unscaled step for mode  112=       -0.0019914930
 Unscaled step for mode  113=        0.0055916004
 Unscaled step for mode  114=       -0.2114927773
 Largest modulus ratio of non-zero e/values=           201.3035595    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.642498E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.617562E-15    0.100685E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.398109E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.527356E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.333402E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.944476E-16    0.974067E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.765205E-05    0.740055E+03  0.103398E-07 0.100000E-04    0.994610E+00
   8   -0.712826E-05    0.674361E+03  0.105704E-07 0.100000E-04    0.993537E+00
   9   -0.247560E-05    0.628334E+03  0.393995E-08 0.100000E-04    0.986322E+00
  10    0.295057E-05    0.602857E+03 -0.489432E-08 0.100000E-04    0.970301E+00
  11   -0.208963E-05    0.587280E+03  0.355814E-08 0.100000E-04    0.983384E+00
  12   -0.729751E-05    0.575826E+03  0.126731E-07 0.100000E-04    0.989673E+00
  13   -0.355215E-05    0.566987E+03  0.626496E-08 0.100000E-04    0.990640E+00
  14    0.339968E-05    0.485654E+03 -0.700020E-08 0.100000E-04    0.996100E+00
  15    0.214198E-05    0.462645E+03 -0.462986E-08 0.100000E-04    0.996993E+00
  16    0.744336E-05    0.460656E+03 -0.161582E-07 0.100000E-04    0.992460E+00
  17    0.416026E-05    0.441646E+03 -0.941991E-08 0.100000E-04    0.979521E+00
  18    0.440003E-05    0.428989E+03 -0.102567E-07 0.100000E-04    0.994081E+00
  19   -0.197992E-04    0.422094E+03  0.469070E-07 0.100000E-04    0.995625E+00
  20    0.443215E-05    0.408526E+03 -0.108491E-07 0.100000E-04    0.993596E+00
  21    0.486576E-05    0.396871E+03 -0.122603E-07 0.100000E-04    0.993858E+00
  22   -0.117078E-04    0.388485E+03  0.301370E-07 0.100000E-04    0.997212E+00
  23    0.204790E-05    0.368874E+03 -0.555176E-08 0.100000E-04    0.947764E+00
  24   -0.604904E-05    0.360911E+03  0.167604E-07 0.100000E-04    0.997016E+00
  25   -0.238706E-04    0.350056E+03  0.681910E-07 0.100000E-04    0.997561E+00
  26   -0.363673E-04    0.335029E+03  0.108550E-06 0.100000E-04    0.997912E+00
  27   -0.176477E-04    0.327549E+03  0.538782E-07 0.100000E-04    0.999354E+00
  28    0.117528E-04    0.321655E+03 -0.365385E-07 0.100000E-04    0.999454E+00
  29    0.294923E-04    0.319701E+03 -0.922498E-07 0.100000E-04    0.991577E+00
  30   -0.241268E-04    0.310681E+03  0.776579E-07 0.100000E-04    0.992988E+00
  31   -0.230953E-04    0.302374E+03  0.763799E-07 0.100000E-04    0.997784E+00
  32   -0.110150E-04    0.289631E+03  0.380314E-07 0.100000E-04    0.998453E+00
  33    0.151296E-04    0.278374E+03 -0.543501E-07 0.100000E-04    0.992061E+00
  34   -0.179276E-04    0.271568E+03  0.660151E-07 0.100000E-04    0.992486E+00
  35    0.253533E-04    0.267710E+03 -0.947045E-07 0.100000E-04    0.996001E+00
  36    0.242589E-04    0.264711E+03 -0.916427E-07 0.100000E-04    0.998789E+00
  37   -0.212123E-04    0.261521E+03  0.811111E-07 0.100000E-04    0.998159E+00
  38    0.470379E-05    0.253809E+03 -0.185328E-07 0.100000E-04    0.990896E+00
  39   -0.219859E-04    0.241794E+03  0.909280E-07 0.100000E-04    0.997192E+00
  40   -0.285242E-04    0.239590E+03  0.119054E-06 0.100000E-04    0.995296E+00
  41   -0.480772E-04    0.233966E+03  0.205488E-06 0.100000E-04    0.999878E+00
  42   -0.203143E-04    0.227900E+03  0.891367E-07 0.100000E-04    0.997492E+00
  43   -0.204221E-04    0.218056E+03  0.936552E-07 0.100000E-04    0.994946E+00
  44   -0.400066E-04    0.214515E+03  0.186498E-06 0.100000E-04    0.999630E+00
  45    0.475194E-05    0.212981E+03 -0.223115E-07 0.100000E-04    0.954404E+00
  46    0.345854E-04    0.207199E+03 -0.166919E-06 0.100000E-04    0.999213E+00
  47   -0.274809E-04    0.203472E+03  0.135060E-06 0.100000E-04    0.994770E+00
  48    0.672491E-05    0.196612E+03 -0.342040E-07 0.100000E-04    0.983548E+00
  49    0.311460E-04    0.194902E+03 -0.159803E-06 0.100000E-04    0.996906E+00
  50   -0.731104E-05    0.191355E+03  0.382067E-07 0.100000E-04    0.947579E+00
  51   -0.184870E-04    0.183300E+03  0.100857E-06 0.100000E-04    0.998182E+00
  52   -0.748995E-05    0.174191E+03  0.429986E-07 0.100000E-04    0.992440E+00
  53   -0.151872E-04    0.172293E+03  0.881474E-07 0.100000E-04    0.995390E+00
  54   -0.240969E-04    0.167778E+03  0.143624E-06 0.100000E-04    0.999948E+00
  55   -0.232566E-04    0.164152E+03  0.141678E-06 0.100000E-04    0.999377E+00
  56   -0.723057E-05    0.157845E+03  0.458080E-07 0.100000E-04    0.997448E+00
  57   -0.157078E-04    0.154469E+03  0.101689E-06 0.100000E-04    0.991345E+00
  58   -0.274478E-04    0.151924E+03  0.180668E-06 0.100000E-04    0.999899E+00
  59    0.669702E-05    0.147689E+03 -0.453453E-07 0.100000E-04    0.987549E+00
  60    0.252494E-04    0.143475E+03 -0.175985E-06 0.100000E-04    0.999097E+00
  61   -0.358179E-04    0.137496E+03  0.260501E-06 0.100000E-04    0.989741E+00
  62   -0.237281E-04    0.135937E+03  0.174552E-06 0.100000E-04    0.997265E+00
  63   -0.175395E-04    0.130518E+03  0.134384E-06 0.100000E-04    0.987036E+00
  64    0.403360E-04    0.128508E+03 -0.313880E-06 0.100000E-04    0.995548E+00
  65   -0.240904E-04    0.126500E+03  0.190438E-06 0.100000E-04    0.989163E+00
  66    0.107952E-04    0.125072E+03 -0.863120E-07 0.100000E-04    0.999001E+00
  67   -0.154346E-04    0.119901E+03  0.128729E-06 0.100000E-04    0.994392E+00
  68    0.868123E-05    0.118141E+03 -0.734818E-07 0.100000E-04    0.996351E+00
  69   -0.842881E-05    0.117113E+03  0.719715E-07 0.100000E-04    0.982661E+00
  70    0.325203E-04    0.110516E+03 -0.294258E-06 0.100000E-04    0.993326E+00
  71   -0.716492E-05    0.107242E+03  0.668109E-07 0.100000E-04    0.992813E+00
  72   -0.800282E-04    0.104494E+03  0.765866E-06 0.100000E-04    0.994964E+00
  73   -0.295790E-04    0.103024E+03  0.287108E-06 0.100000E-04    0.999046E+00
  74   -0.228310E-04    0.996799E+02  0.229043E-06 0.100000E-04    0.996532E+00
  75    0.835741E-04    0.958314E+02 -0.872095E-06 0.100000E-04    0.999279E+00
  76   -0.272169E-04    0.939746E+02  0.289619E-06 0.100000E-04    0.988978E+00
  77   -0.408159E-04    0.934294E+02  0.436864E-06 0.100000E-04    0.988851E+00
  78    0.149016E-04    0.908838E+02 -0.163963E-06 0.100000E-04    0.997903E+00
  79   -0.658995E-05    0.891293E+02  0.739371E-07 0.100000E-04    0.995232E+00
  80    0.207296E-04    0.852884E+02 -0.243053E-06 0.100000E-04    0.994419E+00
  81    0.284271E-04    0.808727E+02 -0.351505E-06 0.100000E-04    0.999035E+00
  82    0.172554E-04    0.800414E+02 -0.215581E-06 0.100000E-04    0.994712E+00
  83   -0.142168E-04    0.781683E+02  0.181874E-06 0.100000E-04    0.984701E+00
  84    0.583862E-04    0.730804E+02 -0.798931E-06 0.100000E-04    0.990334E+00
  85   -0.261934E-04    0.726494E+02  0.360546E-06 0.100000E-04    0.994196E+00
  86   -0.198054E-04    0.681915E+02  0.290438E-06 0.100000E-04    0.986745E+00
  87   -0.463277E-04    0.654512E+02  0.707821E-06 0.100000E-04    0.994028E+00
  88    0.160210E-04    0.624946E+02 -0.256358E-06 0.100000E-04    0.991088E+00
  89   -0.762630E-05    0.599648E+02  0.127180E-06 0.100000E-04    0.954930E+00
  90   -0.522920E-04    0.594015E+02  0.880314E-06 0.100000E-04    0.995916E+00
  91    0.511302E-04    0.588202E+02 -0.869263E-06 0.100000E-04    0.982106E+00
  92    0.609457E-04    0.560354E+02 -0.108763E-05 0.100000E-04    0.993704E+00
  93   -0.109927E-04    0.525651E+02  0.209125E-06 0.100000E-04    0.966286E+00
  94    0.571781E-04    0.523033E+02 -0.109320E-05 0.100000E-04    0.996683E+00
  95    0.958574E-05    0.500126E+02 -0.191667E-06 0.100000E-04    0.962433E+00
  96    0.750660E-05    0.469514E+02 -0.159880E-06 0.100000E-04    0.937854E+00
  97   -0.415500E-04    0.429466E+02  0.967481E-06 0.100000E-04    0.979683E+00
  98   -0.569099E-04    0.406644E+02  0.139950E-05 0.100000E-04    0.992328E+00
  99   -0.118898E-03    0.377957E+02  0.314582E-05 0.100000E-04    0.994326E+00
 100   -0.798709E-04    0.364028E+02  0.219409E-05 0.100000E-04    0.998860E+00
 101    0.241963E-04    0.333611E+02 -0.725285E-06 0.100000E-04    0.955784E+00
 102    0.110433E-03    0.287862E+02 -0.383632E-05 0.100000E-04    0.994279E+00
 103   -0.473482E-04    0.285222E+02  0.166005E-05 0.100000E-04    0.999907E+00
 104   -0.136807E-03    0.267080E+02  0.512232E-05 0.100000E-04    0.991258E+00
 105    0.719834E-04    0.231897E+02 -0.310412E-05 0.100000E-04    0.993176E+00
 106   -0.636484E-04    0.210285E+02  0.302677E-05 0.100000E-04    0.982030E+00
 107   -0.420552E-04    0.204774E+02  0.205373E-05 0.100000E-04    0.920476E+00
 108    0.685262E-05    0.167135E+02 -0.410006E-06 0.100000E-04    0.547567E+00
 109   -0.710048E-04    0.138430E+02  0.512928E-05 0.100000E-04    0.994809E+00
 110   -0.130580E-01    0.122392E+02  0.100000E-04 0.100000E-04    0.511819E+00
 111    0.109804E-03    0.100342E+02 -0.100000E-04 0.100000E-04    0.618867E+00
 112    0.169663E-01    0.851935E+01 -0.206324E-04 0.206324E-04    0.180974E+00
 113   -0.353517E-01    0.632209E+01  0.424417E-04 0.424417E-04    0.149149E+00
 114   -0.813920E+00    0.367631E+01 -0.400000E-03 0.400000E-03    0.188152E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2114927773    

 Beginning of optimization cycle  433.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3261994630
 potential> RMS force:                                               0.0764646002   |gradient|=.8164185200    
 Eigenvalues of the Hessian matrix:
   740.12281    674.36686    628.35038    602.83879    587.27124    575.86671 
   566.98108    485.68067    462.62144    460.64962    441.64887    428.98377 
   422.09464    408.52794    396.86613    388.47813    368.88618    360.90416 
   350.04727    335.02566    327.56756    321.65900    319.68801    310.66679 
   302.35582    289.64178    278.37198    271.57963    267.71740    264.71330 
   261.54500    253.80447    241.78922    239.60336    233.95914    227.89253 
   218.03669    214.52198    212.98786    207.20064    203.46943    196.60063 
   194.89846    191.35325    183.29082    174.18528    172.29570    167.78152 
   164.14195    157.83322    154.47399    151.92983    147.67891    143.47623 
   137.50131    135.93691    130.51653    128.51170    126.50457    125.06503 
   119.90195    118.14180    117.11324    110.51225    107.23718    104.49178 
   103.02216     99.67910     95.83430     93.98139     93.41217     90.88725 
    89.12263     85.29138     80.87207     80.04398     78.16685     73.08449 
    72.65270     68.19019     65.44269     62.48357     59.96555     59.40015 
    58.81336     56.03483     52.56426     52.30238     50.01269     46.94415 
    42.94890     40.66733     37.79846     36.40438     33.34833     28.78619 
    28.52098     26.70087     23.19164     21.03163     20.47058     16.71177 
    13.84366     12.23928     10.03542      8.51824      6.31340      3.67049 
overlap for current and previous eigenvector    109 is        -0.9999998089
overlap for current and previous eigenvector    110 is         0.9999997095
overlap for current and previous eigenvector    111 is        -0.9999997616
overlap for current and previous eigenvector    112 is         0.9999991544
overlap for current and previous eigenvector    113 is        -0.9999989565
overlap for current and previous eigenvector    114 is        -0.9999996188
J1,K1,R1,R2,RAT=   7   7   -0.5506115932E-02     2.005322714        0.9944938841    
FOB,PFOB,DIAG,PSTEP=   -0.7694182276E-05   -0.7652045363E-05     740.1228130        0.1033983414E-07
J1,K1,R1,R2,RAT=   8   8   -0.9475367836E-02     2.009457571        0.9905246322    
FOB,PFOB,DIAG,PSTEP=   -0.7195801271E-05   -0.7128257805E-05     674.3668583        0.1057039080E-07
J1,K1,R1,R2,RAT=   9   9   -0.5692206340E-01     2.056870452        0.9430779366    
FOB,PFOB,DIAG,PSTEP=   -0.2616523637E-05   -0.2475603539E-05     628.3503761        0.3939947392E-08
J1,K1,R1,R2,RAT=  10  10   -0.7184134082E-03     2.000778168        0.9992815866    
FOB,PFOB,DIAG,PSTEP=    0.2952692991E-05    0.2950573323E-05     602.8387858       -0.4894318747E-08
J1,K1,R1,R2,RAT=  11  11    0.1711179193E-01     1.982918721        0.9828882081    
FOB,PFOB,DIAG,PSTEP=   -0.2053869129E-05   -0.2089625826E-05     587.2712394        0.3558141122E-08
J1,K1,R1,R2,RAT= 109 109     2.019477067       -0.1956741737E-01    0.9804325826    
FOB,PFOB,DIAG,PSTEP=    0.7239422325E-04   -0.7100478031E-04     13.84366197        0.5129277806E-05
J1,K1,R1,R2,RAT= 110 110   -0.4712163551         213.8503878        0.5287836449    
FOB,PFOB,DIAG,PSTEP=   -0.1311570533E-01   -0.1305803186E-01     12.23927506        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.811269610        0.3770543393        0.6229456607    
FOB,PFOB,DIAG,PSTEP=   -0.7196479700E-04    0.1098038014E-03     10.03542473       -0.1000000000E-04
J1,K1,R1,R2,RAT= 112 112   -0.7437945975         193.8145997        0.2562054025    
FOB,PFOB,DIAG,PSTEP=    0.1709701667E-01    0.1696629325E-01     8.518236640       -0.2063244312E-04
J1,K1,R1,R2,RAT= 113 113     264.6783806       -0.8120364225        0.1879635775    
FOB,PFOB,DIAG,PSTEP=    0.3556929175E-01   -0.3535170529E-01     6.313404679        0.4244169655E-04
J1,K1,R1,R2,RAT= 114 114    -1109.715176        0.9800262053        0.1997379466E-01
FOB,PFOB,DIAG,PSTEP=    0.8153585409       -0.8139196714         3.670487362       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002      0.00001      0.00002      0.00002 
    -0.00002      0.00001      0.00002     -0.00003     -0.00001     -0.00003 
     0.00004      0.00002      0.00002      0.00004      0.00002      0.00001 
     0.00002      0.00001     -0.00001     -0.00003      0.00001     -0.00008 
    -0.00003     -0.00002      0.00008     -0.00003     -0.00004      0.00001 
    -0.00001      0.00002      0.00003     -0.00002      0.00001      0.00006 
    -0.00003     -0.00002      0.00005      0.00002     -0.00001      0.00005 
     0.00005      0.00006     -0.00001     -0.00006      0.00001      0.00001 
    -0.00004     -0.00006     -0.00012     -0.00008     -0.00002      0.00011 
     0.00005     -0.00014      0.00007      0.00006      0.00004      0.00000 
     0.00007     -0.01312     -0.00007      0.01710      0.03557      0.81536 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4052206934
 Log product of positive Hessian eigenvalues =          519.3887232991
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6704873621
 Unscaled step for mode    7=        0.0000000104
 Unscaled step for mode    8=        0.0000000107
 Unscaled step for mode    9=        0.0000000042
 Unscaled step for mode   10=       -0.0000000049
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000130
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000072
 Unscaled step for mode   15=       -0.0000000045
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000092
 Unscaled step for mode   18=       -0.0000000100
 Unscaled step for mode   19=        0.0000000469
 Unscaled step for mode   20=       -0.0000000105
 Unscaled step for mode   21=       -0.0000000120
 Unscaled step for mode   22=        0.0000000304
 Unscaled step for mode   23=       -0.0000000060
 Unscaled step for mode   24=        0.0000000171
 Unscaled step for mode   25=        0.0000000681
 Unscaled step for mode   26=        0.0000001085
 Unscaled step for mode   27=        0.0000000537
 Unscaled step for mode   28=       -0.0000000363
 Unscaled step for mode   29=       -0.0000000927
 Unscaled step for mode   30=        0.0000000779
 Unscaled step for mode   31=        0.0000000768
 Unscaled step for mode   32=        0.0000000386
 Unscaled step for mode   33=       -0.0000000544
 Unscaled step for mode   34=        0.0000000663
 Unscaled step for mode   35=       -0.0000000950
 Unscaled step for mode   36=       -0.0000000924
 Unscaled step for mode   37=        0.0000000809
 Unscaled step for mode   38=       -0.0000000189
 Unscaled step for mode   39=        0.0000000908
 Unscaled step for mode   40=        0.0000001203
 Unscaled step for mode   41=        0.0000002062
 Unscaled step for mode   42=        0.0000000903
 Unscaled step for mode   43=        0.0000000939
 Unscaled step for mode   44=        0.0000001882
 Unscaled step for mode   45=       -0.0000000227
 Unscaled step for mode   46=       -0.0000001677
 Unscaled step for mode   47=        0.0000001353
 Unscaled step for mode   48=       -0.0000000337
 Unscaled step for mode   49=       -0.0000001603
 Unscaled step for mode   50=        0.0000000369
 Unscaled step for mode   51=        0.0000001006
 Unscaled step for mode   52=       -0.0000000430
 Unscaled step for mode   53=       -0.0000000877
 Unscaled step for mode   54=       -0.0000001437
 Unscaled step for mode   55=        0.0000001422
 Unscaled step for mode   56=       -0.0000000473
 Unscaled step for mode   57=       -0.0000001012
 Unscaled step for mode   58=        0.0000001809
 Unscaled step for mode   59=        0.0000000463
 Unscaled step for mode   60=        0.0000001753
 Unscaled step for mode   61=       -0.0000002591
 Unscaled step for mode   62=       -0.0000001745
 Unscaled step for mode   63=       -0.0000001321
 Unscaled step for mode   64=       -0.0000003147
 Unscaled step for mode   65=       -0.0000001882
 Unscaled step for mode   66=       -0.0000000855
 Unscaled step for mode   67=       -0.0000001314
 Unscaled step for mode   68=       -0.0000000725
 Unscaled step for mode   69=        0.0000000716
 Unscaled step for mode   70=        0.0000002957
 Unscaled step for mode   71=       -0.0000000675
 Unscaled step for mode   72=        0.0000007680
 Unscaled step for mode   73=        0.0000002857
 Unscaled step for mode   74=        0.0000002273
 Unscaled step for mode   75=       -0.0000008702
 Unscaled step for mode   76=        0.0000002834
 Unscaled step for mode   77=        0.0000004406
 Unscaled step for mode   78=       -0.0000001625
 Unscaled step for mode   79=        0.0000000738
 Unscaled step for mode   80=       -0.0000002418
 Unscaled step for mode   81=       -0.0000003534
 Unscaled step for mode   82=        0.0000002187
 Unscaled step for mode   83=       -0.0000001791
 Unscaled step for mode   84=       -0.0000007980
 Unscaled step for mode   85=        0.0000003522
 Unscaled step for mode   86=        0.0000002893
 Unscaled step for mode   87=       -0.0000007051
 Unscaled step for mode   88=       -0.0000002640
 Unscaled step for mode   89=        0.0000001320
 Unscaled step for mode   90=       -0.0000008732
 Unscaled step for mode   91=       -0.0000008682
 Unscaled step for mode   92=       -0.0000010872
 Unscaled step for mode   93=        0.0000002224
 Unscaled step for mode   94=        0.0000010925
 Unscaled step for mode   95=       -0.0000001861
 Unscaled step for mode   96=       -0.0000001606
 Unscaled step for mode   97=        0.0000009505
 Unscaled step for mode   98=        0.0000013933
 Unscaled step for mode   99=        0.0000031250
 Unscaled step for mode  100=        0.0000021772
 Unscaled step for mode  101=        0.0000006988
 Unscaled step for mode  102=       -0.0000038316
 Unscaled step for mode  103=       -0.0000016775
 Unscaled step for mode  104=        0.0000051704
 Unscaled step for mode  105=       -0.0000030780
 Unscaled step for mode  106=       -0.0000029420
 Unscaled step for mode  107=       -0.0000020563
 Unscaled step for mode  108=       -0.0000002843
 Unscaled step for mode  109=       -0.0000052294
 Unscaled step for mode  110=        0.0010716068
 Unscaled step for mode  111=        0.0000071711
 Unscaled step for mode  112=       -0.0020070994
 Unscaled step for mode  113=       -0.0056337530
 Unscaled step for mode  114=        0.2121418579
 Largest modulus ratio of non-zero e/values=           201.6415642    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.239826E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.128456E-14    0.100684E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.420887E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.144795E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.446162E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.631141E-15    0.974069E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.769418E-05    0.740123E+03  0.103958E-07 0.100000E-04    0.994494E+00
   8   -0.719580E-05    0.674367E+03  0.106705E-07 0.100000E-04    0.990525E+00
   9   -0.261652E-05    0.628350E+03  0.416412E-08 0.100000E-04    0.943078E+00
  10    0.295269E-05    0.602839E+03 -0.489798E-08 0.100000E-04    0.999282E+00
  11   -0.205387E-05    0.587271E+03  0.349731E-08 0.100000E-04    0.982888E+00
  12   -0.751283E-05    0.575867E+03  0.130461E-07 0.100000E-04    0.970495E+00
  13   -0.351893E-05    0.566981E+03  0.620643E-08 0.100000E-04    0.990648E+00
  14    0.351754E-05    0.485681E+03 -0.724250E-08 0.100000E-04    0.965332E+00
  15    0.208284E-05    0.462621E+03 -0.450226E-08 0.100000E-04    0.972388E+00
  16    0.740479E-05    0.460650E+03 -0.160747E-07 0.100000E-04    0.994818E+00
  17    0.405310E-05    0.441649E+03 -0.917720E-08 0.100000E-04    0.974227E+00
  18    0.429051E-05    0.428984E+03 -0.100016E-07 0.100000E-04    0.975108E+00
  19   -0.197867E-04    0.422095E+03  0.468775E-07 0.100000E-04    0.999368E+00
  20    0.430622E-05    0.408528E+03 -0.105408E-07 0.100000E-04    0.971577E+00
  21    0.475345E-05    0.396866E+03 -0.119775E-07 0.100000E-04    0.976918E+00
  22   -0.118248E-04    0.388478E+03  0.304389E-07 0.100000E-04    0.990000E+00
  23    0.219630E-05    0.368886E+03 -0.595388E-08 0.100000E-04    0.927538E+00
  24   -0.617347E-05    0.360904E+03  0.171056E-07 0.100000E-04    0.979429E+00
  25   -0.238219E-04    0.350047E+03  0.680535E-07 0.100000E-04    0.997960E+00
  26   -0.363499E-04    0.335026E+03  0.108499E-06 0.100000E-04    0.999521E+00
  27   -0.175785E-04    0.327568E+03  0.536638E-07 0.100000E-04    0.995964E+00
  28    0.116612E-04    0.321659E+03 -0.362532E-07 0.100000E-04    0.992178E+00
  29    0.296279E-04    0.319688E+03 -0.926776E-07 0.100000E-04    0.995402E+00
  30   -0.241865E-04    0.310667E+03  0.778535E-07 0.100000E-04    0.997527E+00
  31   -0.232270E-04    0.302356E+03  0.768201E-07 0.100000E-04    0.994298E+00
  32   -0.111911E-04    0.289642E+03  0.386378E-07 0.100000E-04    0.984016E+00
  33    0.151519E-04    0.278372E+03 -0.544304E-07 0.100000E-04    0.998529E+00
  34   -0.180130E-04    0.271580E+03  0.663267E-07 0.100000E-04    0.995235E+00
  35    0.254462E-04    0.267717E+03 -0.950488E-07 0.100000E-04    0.996337E+00
  36    0.244722E-04    0.264713E+03 -0.924479E-07 0.100000E-04    0.991206E+00
  37   -0.211499E-04    0.261545E+03  0.808652E-07 0.100000E-04    0.996877E+00
  38    0.479050E-05    0.253804E+03 -0.188748E-07 0.100000E-04    0.981566E+00
  39   -0.219564E-04    0.241789E+03  0.908080E-07 0.100000E-04    0.998659E+00
  40   -0.288357E-04    0.239603E+03  0.120347E-06 0.100000E-04    0.989083E+00
  41   -0.482343E-04    0.233959E+03  0.206166E-06 0.100000E-04    0.996731E+00
  42   -0.205719E-04    0.227893E+03  0.902703E-07 0.100000E-04    0.987316E+00
  43   -0.204821E-04    0.218037E+03  0.939387E-07 0.100000E-04    0.997064E+00
  44   -0.403762E-04    0.214522E+03  0.188215E-06 0.100000E-04    0.990764E+00
  45    0.484090E-05    0.212988E+03 -0.227285E-07 0.100000E-04    0.981279E+00
  46    0.347525E-04    0.207201E+03 -0.167724E-06 0.100000E-04    0.995169E+00
  47   -0.275233E-04    0.203469E+03  0.135270E-06 0.100000E-04    0.998458E+00
  48    0.662042E-05    0.196601E+03 -0.336745E-07 0.100000E-04    0.984461E+00
  49    0.312446E-04    0.194898E+03 -0.160312E-06 0.100000E-04    0.996833E+00
  50   -0.706599E-05    0.191353E+03  0.369264E-07 0.100000E-04    0.966482E+00
  51   -0.184412E-04    0.183291E+03  0.100612E-06 0.100000E-04    0.997521E+00
  52    0.749156E-05    0.174185E+03 -0.430091E-07 0.100000E-04    0.999785E+00
  53    0.151126E-04    0.172296E+03 -0.877133E-07 0.100000E-04    0.995063E+00
  54    0.241044E-04    0.167782E+03 -0.143665E-06 0.100000E-04    0.999689E+00
  55   -0.233395E-04    0.164142E+03  0.142191E-06 0.100000E-04    0.996436E+00
  56    0.745869E-05    0.157833E+03 -0.472568E-07 0.100000E-04    0.968448E+00
  57    0.156308E-04    0.154474E+03 -0.101187E-06 0.100000E-04    0.995036E+00
  58   -0.274841E-04    0.151930E+03  0.180900E-06 0.100000E-04    0.998677E+00
  59   -0.684385E-05    0.147679E+03  0.463428E-07 0.100000E-04    0.978074E+00
  60   -0.251459E-04    0.143476E+03  0.175262E-06 0.100000E-04    0.995880E+00
  61    0.356301E-04    0.137501E+03 -0.259126E-06 0.100000E-04    0.994686E+00
  62    0.237170E-04    0.135937E+03 -0.174471E-06 0.100000E-04    0.999533E+00
  63    0.172412E-04    0.130517E+03 -0.132100E-06 0.100000E-04    0.982992E+00
  64    0.404432E-04    0.128512E+03 -0.314704E-06 0.100000E-04    0.997342E+00
  65    0.238107E-04    0.126505E+03 -0.188220E-06 0.100000E-04    0.988321E+00
  66    0.106987E-04    0.125065E+03 -0.855450E-07 0.100000E-04    0.991059E+00
  67    0.157512E-04    0.119902E+03 -0.131368E-06 0.100000E-04    0.979489E+00
  68    0.857044E-05    0.118142E+03 -0.725436E-07 0.100000E-04    0.987229E+00
  69   -0.838221E-05    0.117113E+03  0.715736E-07 0.100000E-04    0.994471E+00
  70   -0.326787E-04    0.110512E+03  0.295702E-06 0.100000E-04    0.995129E+00
  71    0.723926E-05    0.107237E+03 -0.675070E-07 0.100000E-04    0.989624E+00
  72   -0.802489E-04    0.104492E+03  0.767992E-06 0.100000E-04    0.997243E+00
  73   -0.294357E-04    0.103022E+03  0.285722E-06 0.100000E-04    0.995157E+00
  74   -0.226611E-04    0.996791E+02  0.227341E-06 0.100000E-04    0.992560E+00
  75    0.833992E-04    0.958343E+02 -0.870243E-06 0.100000E-04    0.997847E+00
  76   -0.266380E-04    0.939814E+02  0.283439E-06 0.100000E-04    0.978590E+00
  77   -0.411550E-04    0.934122E+02  0.440575E-06 0.100000E-04    0.991691E+00
  78    0.147646E-04    0.908873E+02 -0.162450E-06 0.100000E-04    0.990734E+00
  79   -0.657981E-05    0.891226E+02  0.738288E-07 0.100000E-04    0.998461E+00
  80    0.206219E-04    0.852914E+02 -0.241781E-06 0.100000E-04    0.994734E+00
  81    0.285810E-04    0.808721E+02 -0.353410E-06 0.100000E-04    0.994586E+00
  82   -0.175073E-04    0.800440E+02  0.218721E-06 0.100000E-04    0.985402E+00
  83    0.139998E-04    0.781669E+02 -0.179101E-06 0.100000E-04    0.984736E+00
  84    0.583236E-04    0.730845E+02 -0.798030E-06 0.100000E-04    0.998817E+00
  85   -0.255891E-04    0.726527E+02  0.352212E-06 0.100000E-04    0.976841E+00
  86   -0.197300E-04    0.681902E+02  0.289338E-06 0.100000E-04    0.996191E+00
  87    0.461413E-04    0.654427E+02 -0.705065E-06 0.100000E-04    0.995976E+00
  88    0.164942E-04    0.624836E+02 -0.263976E-06 0.100000E-04    0.970460E+00
  89   -0.791573E-05    0.599656E+02  0.132005E-06 0.100000E-04    0.962049E+00
  90    0.518677E-04    0.594002E+02 -0.873192E-06 0.100000E-04    0.991887E+00
  91    0.510620E-04    0.588134E+02 -0.868203E-06 0.100000E-04    0.998666E+00
  92    0.609230E-04    0.560348E+02 -0.108724E-05 0.100000E-04    0.999627E+00
  93   -0.116894E-04    0.525643E+02  0.222382E-06 0.100000E-04    0.936622E+00
  94   -0.571379E-04    0.523024E+02  0.109245E-05 0.100000E-04    0.999297E+00
  95    0.930747E-05    0.500127E+02 -0.186102E-06 0.100000E-04    0.970965E+00
  96    0.754085E-05    0.469442E+02 -0.160634E-06 0.100000E-04    0.995436E+00
  97   -0.408213E-04    0.429489E+02  0.950462E-06 0.100000E-04    0.982356E+00
  98   -0.566632E-04    0.406673E+02  0.139334E-05 0.100000E-04    0.995521E+00
  99   -0.118122E-03    0.377985E+02  0.312504E-05 0.100000E-04    0.993321E+00
 100   -0.792597E-04    0.364044E+02  0.217720E-05 0.100000E-04    0.992262E+00
 101   -0.233032E-04    0.333483E+02  0.698781E-06 0.100000E-04    0.963074E+00
 102    0.110296E-03    0.287862E+02 -0.383157E-05 0.100000E-04    0.998761E+00
 103    0.478449E-04    0.285210E+02 -0.167753E-05 0.100000E-04    0.989509E+00
 104   -0.138055E-03    0.267009E+02  0.517042E-05 0.100000E-04    0.990878E+00
 105    0.713838E-04    0.231916E+02 -0.307800E-05 0.100000E-04    0.991501E+00
 106    0.618742E-04    0.210316E+02 -0.294196E-05 0.100000E-04    0.971828E+00
 107    0.420933E-04    0.204706E+02 -0.205628E-05 0.100000E-04    0.999094E+00
 108    0.475177E-05    0.167118E+02 -0.284336E-06 0.100000E-04    0.693391E+00
 109    0.723942E-04    0.138437E+02 -0.522941E-05 0.100000E-04    0.980433E+00
 110   -0.131157E-01    0.122393E+02  0.100000E-04 0.100000E-04    0.528784E+00
 111   -0.719648E-04    0.100354E+02  0.717108E-05 0.100000E-04    0.622946E+00
 112    0.170970E-01    0.851824E+01 -0.185878E-04 0.185878E-04    0.256205E+00
 113    0.355693E-01    0.631340E+01 -0.462614E-04 0.462614E-04    0.187964E+00
 114    0.815359E+00    0.367049E+01  0.400000E-03 0.400000E-03    0.199738E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2121418579    

 Beginning of optimization cycle  434.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3258751137
 potential> RMS force:                                               0.0766001278   |gradient|=.8178655588    
 Eigenvalues of the Hessian matrix:
   740.19084    674.37292    628.36683    602.82088    587.26224    575.90806 
   566.97537    485.70754    462.59821    460.64312    441.65230    428.97894 
   422.09532    408.53009    396.86128    388.47183    368.89814    360.89700 
   350.03923    335.02239    327.58610    321.66341    319.67547    310.65263 
   302.33733    289.65291    278.37008    271.59168    267.72509    264.71532 
   261.56912    253.80020    241.78435    239.61648    233.95213    227.88502 
   218.01696    214.52854    212.99439    207.20280    203.46627    196.58966 
   194.89500    191.35161    183.28208    174.17991    172.29785    167.78520 
   164.13202    157.82120    154.47847    151.93545    147.66839    143.47763 
   137.50626    135.93664    130.51512    128.51570    126.50909    125.05799 
   119.90315    118.14218    117.11320    110.50829    107.23261    104.48956 
   103.02032     99.67819     95.83716     93.98796     93.39481     90.89068 
    89.11590     85.29439     80.87141     80.04660     78.16536     73.08849 
    72.65574     68.18879     65.43415     62.47235     59.96617     59.39878 
    58.80640     56.03415     52.56331     52.30129     50.01282     46.93685 
    42.95117     40.67018     37.80113     36.40578     33.33561     28.78618 
    28.51975     26.69372     23.19360     21.03477     20.46367     16.70997 
    13.84427     12.23926     10.03660      8.51719      6.30470      3.66467 
overlap for current and previous eigenvector    109 is         0.9999998020
overlap for current and previous eigenvector    110 is         0.9999997047
overlap for current and previous eigenvector    111 is         0.9999997580
overlap for current and previous eigenvector    112 is         0.9999991852
overlap for current and previous eigenvector    113 is         0.9999989719
overlap for current and previous eigenvector    114 is         0.9999996030
J1,K1,R1,R2,RAT=   7   7   -0.1579918272E-02     2.001396117        0.9984200817    
FOB,PFOB,DIAG,PSTEP=   -0.7706339573E-05   -0.7694182276E-05     740.1908369        0.1039581829E-07
J1,K1,R1,R2,RAT=   8   8   -0.1040413195E-01     2.010386164        0.9895958680    
FOB,PFOB,DIAG,PSTEP=   -0.7270668010E-05   -0.7195801271E-05     674.3729170        0.1067045508E-07
J1,K1,R1,R2,RAT=   9   9   -0.2540960607E-01     2.025357223        0.9745903939    
FOB,PFOB,DIAG,PSTEP=   -0.2683010213E-05   -0.2616523637E-05     628.3668341        0.4164115653E-08
J1,K1,R1,R2,RAT=  10  10    0.1573105609E-01     1.984328338        0.9842689439    
FOB,PFOB,DIAG,PSTEP=    0.2906245391E-05    0.2952692991E-05     602.8208839       -0.4897981120E-08
J1,K1,R1,R2,RAT=  11  11    0.9456853128E-02     1.990573798        0.9905431469    
FOB,PFOB,DIAG,PSTEP=   -0.2034446288E-05   -0.2053869129E-05     587.2622393        0.3497309235E-08
J1,K1,R1,R2,RAT= 109 109   -0.1209180490E-02     2.001122011        0.9987908195    
FOB,PFOB,DIAG,PSTEP=    0.7248176475E-04    0.7239422325E-04     13.84426537       -0.5229412809E-05
J1,K1,R1,R2,RAT= 110 110   -0.4431058341         214.7649114        0.5568941659    
FOB,PFOB,DIAG,PSTEP=   -0.1316993822E-01   -0.1311570533E-01     12.23926356        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1122175983         1.887548628        0.8875486277    
FOB,PFOB,DIAG,PSTEP=   -0.6388813626E-04   -0.7196479700E-04     10.03659788        0.7171076353E-05
J1,K1,R1,R2,RAT= 112 112   -0.9606396812         216.9469195        0.3936031876E-01
FOB,PFOB,DIAG,PSTEP=    0.1724910107E-01    0.1709701667E-01     8.517193005       -0.1858778660E-04
J1,K1,R1,R2,RAT= 113 113   -0.7411417132         244.6465065        0.2588582868    
FOB,PFOB,DIAG,PSTEP=    0.3578545662E-01    0.3556929175E-01     6.304702911       -0.4626144924E-04
J1,K1,R1,R2,RAT= 114 114    0.9792198070        -1113.438816        0.2078019295E-01
FOB,PFOB,DIAG,PSTEP=    0.8167939463        0.8153585409         3.664665863        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00000      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002      0.00001      0.00002      0.00002 
    -0.00002     -0.00001      0.00002     -0.00003      0.00001     -0.00003 
     0.00004      0.00002     -0.00002     -0.00004     -0.00002     -0.00001 
    -0.00002     -0.00001      0.00001      0.00003      0.00001     -0.00008 
     0.00003      0.00002      0.00008      0.00003     -0.00004      0.00002 
    -0.00001      0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00002      0.00002      0.00005     -0.00002     -0.00001      0.00005 
    -0.00005     -0.00006      0.00001      0.00006     -0.00001      0.00001 
     0.00004      0.00006     -0.00012     -0.00008     -0.00002      0.00011 
     0.00005     -0.00014      0.00007     -0.00006      0.00004     -0.00000 
     0.00007     -0.01317     -0.00006      0.01725      0.03579      0.81679 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4049753256
 Log product of positive Hessian eigenvalues =          519.3842696620
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6646658631
 Unscaled step for mode    7=        0.0000000104
 Unscaled step for mode    8=        0.0000000108
 Unscaled step for mode    9=        0.0000000043
 Unscaled step for mode   10=       -0.0000000048
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000132
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000074
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000089
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000469
 Unscaled step for mode   20=       -0.0000000103
 Unscaled step for mode   21=       -0.0000000118
 Unscaled step for mode   22=        0.0000000306
 Unscaled step for mode   23=       -0.0000000062
 Unscaled step for mode   24=        0.0000000174
 Unscaled step for mode   25=        0.0000000682
 Unscaled step for mode   26=        0.0000001086
 Unscaled step for mode   27=        0.0000000536
 Unscaled step for mode   28=       -0.0000000360
 Unscaled step for mode   29=       -0.0000000928
 Unscaled step for mode   30=        0.0000000781
 Unscaled step for mode   31=        0.0000000774
 Unscaled step for mode   32=        0.0000000390
 Unscaled step for mode   33=       -0.0000000543
 Unscaled step for mode   34=        0.0000000664
 Unscaled step for mode   35=       -0.0000000955
 Unscaled step for mode   36=       -0.0000000927
 Unscaled step for mode   37=        0.0000000808
 Unscaled step for mode   38=       -0.0000000192
 Unscaled step for mode   39=        0.0000000909
 Unscaled step for mode   40=        0.0000001210
 Unscaled step for mode   41=        0.0000002067
 Unscaled step for mode   42=        0.0000000912
 Unscaled step for mode   43=        0.0000000947
 Unscaled step for mode   44=        0.0000001894
 Unscaled step for mode   45=       -0.0000000234
 Unscaled step for mode   46=       -0.0000001680
 Unscaled step for mode   47=        0.0000001351
 Unscaled step for mode   48=       -0.0000000334
 Unscaled step for mode   49=       -0.0000001609
 Unscaled step for mode   50=        0.0000000352
 Unscaled step for mode   51=        0.0000001009
 Unscaled step for mode   52=       -0.0000000431
 Unscaled step for mode   53=       -0.0000000878
 Unscaled step for mode   54=       -0.0000001440
 Unscaled step for mode   55=        0.0000001427
 Unscaled step for mode   56=        0.0000000475
 Unscaled step for mode   57=       -0.0000001011
 Unscaled step for mode   58=        0.0000001810
 Unscaled step for mode   59=       -0.0000000463
 Unscaled step for mode   60=        0.0000001751
 Unscaled step for mode   61=       -0.0000002580
 Unscaled step for mode   62=       -0.0000001749
 Unscaled step for mode   63=        0.0000001290
 Unscaled step for mode   64=        0.0000003150
 Unscaled step for mode   65=        0.0000001871
 Unscaled step for mode   66=        0.0000000848
 Unscaled step for mode   67=        0.0000001328
 Unscaled step for mode   68=        0.0000000729
 Unscaled step for mode   69=       -0.0000000715
 Unscaled step for mode   70=       -0.0000002987
 Unscaled step for mode   71=       -0.0000000681
 Unscaled step for mode   72=        0.0000007680
 Unscaled step for mode   73=       -0.0000002846
 Unscaled step for mode   74=       -0.0000002256
 Unscaled step for mode   75=       -0.0000008683
 Unscaled step for mode   76=       -0.0000002769
 Unscaled step for mode   77=        0.0000004428
 Unscaled step for mode   78=       -0.0000001657
 Unscaled step for mode   79=        0.0000000732
 Unscaled step for mode   80=       -0.0000002418
 Unscaled step for mode   81=        0.0000003547
 Unscaled step for mode   82=        0.0000002214
 Unscaled step for mode   83=       -0.0000001812
 Unscaled step for mode   84=       -0.0000007943
 Unscaled step for mode   85=        0.0000003422
 Unscaled step for mode   86=       -0.0000002898
 Unscaled step for mode   87=       -0.0000007060
 Unscaled step for mode   88=        0.0000002658
 Unscaled step for mode   89=        0.0000001378
 Unscaled step for mode   90=       -0.0000008676
 Unscaled step for mode   91=        0.0000008687
 Unscaled step for mode   92=        0.0000010938
 Unscaled step for mode   93=       -0.0000002328
 Unscaled step for mode   94=       -0.0000010919
 Unscaled step for mode   95=        0.0000001769
 Unscaled step for mode   96=       -0.0000001622
 Unscaled step for mode   97=       -0.0000009301
 Unscaled step for mode   98=       -0.0000013874
 Unscaled step for mode   99=        0.0000031072
 Unscaled step for mode  100=        0.0000021758
 Unscaled step for mode  101=        0.0000006671
 Unscaled step for mode  102=       -0.0000038290
 Unscaled step for mode  103=       -0.0000016732
 Unscaled step for mode  104=        0.0000051562
 Unscaled step for mode  105=       -0.0000030913
 Unscaled step for mode  106=        0.0000029024
 Unscaled step for mode  107=       -0.0000021556
 Unscaled step for mode  108=        0.0000001956
 Unscaled step for mode  109=       -0.0000052355
 Unscaled step for mode  110=        0.0010760388
 Unscaled step for mode  111=        0.0000063655
 Unscaled step for mode  112=       -0.0020252013
 Unscaled step for mode  113=       -0.0056758113
 Unscaled step for mode  114=        0.2127913975
 Largest modulus ratio of non-zero e/values=           201.9804437    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.454281E-16    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.930462E-15    0.100684E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.282435E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.550992E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.928251E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.762560E-15    0.974071E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.770634E-05    0.740191E+03  0.104113E-07 0.100000E-04    0.998420E+00
   8   -0.727067E-05    0.674373E+03  0.107814E-07 0.100000E-04    0.989596E+00
   9   -0.268301E-05    0.628367E+03  0.426982E-08 0.100000E-04    0.974590E+00
  10    0.290625E-05    0.602821E+03 -0.482108E-08 0.100000E-04    0.984269E+00
  11   -0.203445E-05    0.587262E+03  0.346429E-08 0.100000E-04    0.990543E+00
  12   -0.762846E-05    0.575908E+03  0.132460E-07 0.100000E-04    0.984611E+00
  13   -0.354074E-05    0.566975E+03  0.624496E-08 0.100000E-04    0.993803E+00
  14    0.358373E-05    0.485708E+03 -0.737836E-08 0.100000E-04    0.981185E+00
  15    0.211515E-05    0.462598E+03 -0.457234E-08 0.100000E-04    0.984485E+00
  16    0.734614E-05    0.460643E+03 -0.159476E-07 0.100000E-04    0.992079E+00
  17    0.391436E-05    0.441652E+03 -0.886298E-08 0.100000E-04    0.965754E+00
  18    0.424269E-05    0.428979E+03 -0.989022E-08 0.100000E-04    0.988856E+00
  19   -0.198001E-04    0.422095E+03  0.469092E-07 0.100000E-04    0.999322E+00
  20    0.419041E-05    0.408530E+03 -0.102573E-07 0.100000E-04    0.973095E+00
  21    0.469107E-05    0.396861E+03 -0.118204E-07 0.100000E-04    0.986877E+00
  22   -0.118749E-04    0.388472E+03  0.305683E-07 0.100000E-04    0.995764E+00
  23    0.230479E-05    0.368898E+03 -0.624777E-08 0.100000E-04    0.950606E+00
  24   -0.628859E-05    0.360897E+03  0.174249E-07 0.100000E-04    0.981352E+00
  25   -0.238849E-04    0.350039E+03  0.682350E-07 0.100000E-04    0.997356E+00
  26   -0.363736E-04    0.335022E+03  0.108571E-06 0.100000E-04    0.999347E+00
  27   -0.175435E-04    0.327586E+03  0.535540E-07 0.100000E-04    0.997897E+00
  28    0.115825E-04    0.321663E+03 -0.360082E-07 0.100000E-04    0.993229E+00
  29    0.296594E-04    0.319675E+03 -0.927797E-07 0.100000E-04    0.998937E+00
  30   -0.242520E-04    0.310653E+03  0.780679E-07 0.100000E-04    0.997292E+00
  31   -0.234148E-04    0.302337E+03  0.774460E-07 0.100000E-04    0.991913E+00
  32   -0.113059E-04    0.289653E+03  0.390326E-07 0.100000E-04    0.989742E+00
  33    0.151239E-04    0.278370E+03 -0.543304E-07 0.100000E-04    0.998155E+00
  34   -0.180299E-04    0.271592E+03  0.663860E-07 0.100000E-04    0.999062E+00
  35    0.255768E-04    0.267725E+03 -0.955339E-07 0.100000E-04    0.994868E+00
  36    0.245277E-04    0.264715E+03 -0.926570E-07 0.100000E-04    0.997731E+00
  37   -0.211334E-04    0.261569E+03  0.807945E-07 0.100000E-04    0.999034E+00
  38    0.486745E-05    0.253800E+03 -0.191783E-07 0.100000E-04    0.983936E+00
  39   -0.219744E-04    0.241784E+03  0.908844E-07 0.100000E-04    0.999179E+00
  40   -0.289925E-04    0.239616E+03  0.120995E-06 0.100000E-04    0.994561E+00
  41   -0.483500E-04    0.233952E+03  0.206666E-06 0.100000E-04    0.997603E+00
  42   -0.207821E-04    0.227885E+03  0.911958E-07 0.100000E-04    0.989781E+00
  43   -0.206511E-04    0.218017E+03  0.947226E-07 0.100000E-04    0.991746E+00
  44   -0.406215E-04    0.214529E+03  0.189353E-06 0.100000E-04    0.993924E+00
  45    0.497906E-05    0.212994E+03 -0.233765E-07 0.100000E-04    0.971462E+00
  46    0.348140E-04    0.207203E+03 -0.168019E-06 0.100000E-04    0.998230E+00
  47   -0.274883E-04    0.203466E+03  0.135100E-06 0.100000E-04    0.998728E+00
  48    0.655693E-05    0.196590E+03 -0.333534E-07 0.100000E-04    0.990409E+00
  49    0.313610E-04    0.194895E+03 -0.160912E-06 0.100000E-04    0.996275E+00
  50   -0.672927E-05    0.191352E+03  0.351670E-07 0.100000E-04    0.952346E+00
  51   -0.184984E-04    0.183282E+03  0.100928E-06 0.100000E-04    0.996898E+00
  52    0.750621E-05    0.174180E+03 -0.430946E-07 0.100000E-04    0.998044E+00
  53    0.151304E-04    0.172298E+03 -0.878155E-07 0.100000E-04    0.998823E+00
  54    0.241654E-04    0.167785E+03 -0.144026E-06 0.100000E-04    0.997469E+00
  55   -0.234204E-04    0.164132E+03  0.142693E-06 0.100000E-04    0.996533E+00
  56   -0.749407E-05    0.157821E+03  0.474846E-07 0.100000E-04    0.995255E+00
  57    0.156107E-04    0.154478E+03 -0.101054E-06 0.100000E-04    0.998658E+00
  58   -0.274928E-04    0.151935E+03  0.180950E-06 0.100000E-04    0.999686E+00
  59    0.683147E-05    0.147668E+03 -0.462623E-07 0.100000E-04    0.998191E+00
  60   -0.251166E-04    0.143478E+03  0.175056E-06 0.100000E-04    0.998816E+00
  61    0.354704E-04    0.137506E+03 -0.257955E-06 0.100000E-04    0.995447E+00
  62    0.237762E-04    0.135937E+03 -0.174906E-06 0.100000E-04    0.997507E+00
  63   -0.168303E-04    0.130515E+03  0.128953E-06 0.100000E-04    0.976170E+00
  64   -0.404816E-04    0.128516E+03  0.314993E-06 0.100000E-04    0.999051E+00
  65   -0.236641E-04    0.126509E+03  0.187055E-06 0.100000E-04    0.993772E+00
  66   -0.106014E-04    0.125058E+03  0.847720E-07 0.100000E-04    0.990907E+00
  67   -0.159251E-04    0.119903E+03  0.132817E-06 0.100000E-04    0.988960E+00
  68   -0.861405E-05    0.118142E+03  0.729126E-07 0.100000E-04    0.994911E+00
  69    0.837176E-05    0.117113E+03 -0.714844E-07 0.100000E-04    0.998754E+00
  70    0.330109E-04    0.110508E+03 -0.298719E-06 0.100000E-04    0.989834E+00
  71    0.730082E-05    0.107233E+03 -0.680839E-07 0.100000E-04    0.991496E+00
  72   -0.802432E-04    0.104490E+03  0.767954E-06 0.100000E-04    0.999928E+00
  73    0.293244E-04    0.103020E+03 -0.284647E-06 0.100000E-04    0.996220E+00
  74    0.224873E-04    0.996782E+02 -0.225599E-06 0.100000E-04    0.992327E+00
  75    0.832112E-04    0.958372E+02 -0.868256E-06 0.100000E-04    0.997687E+00
  76    0.260276E-04    0.939880E+02 -0.276925E-06 0.100000E-04    0.976946E+00
  77   -0.413513E-04    0.933948E+02  0.442758E-06 0.100000E-04    0.995230E+00
  78    0.150565E-04    0.908907E+02 -0.165655E-06 0.100000E-04    0.980235E+00
  79   -0.652053E-05    0.891159E+02  0.731691E-07 0.100000E-04    0.990990E+00
  80    0.206282E-04    0.852944E+02 -0.241848E-06 0.100000E-04    0.999690E+00
  81   -0.286857E-04    0.808714E+02  0.354707E-06 0.100000E-04    0.996338E+00
  82   -0.177260E-04    0.800466E+02  0.221446E-06 0.100000E-04    0.987509E+00
  83    0.141623E-04    0.781654E+02 -0.181184E-06 0.100000E-04    0.988390E+00
  84    0.580558E-04    0.730885E+02 -0.794322E-06 0.100000E-04    0.995298E+00
  85   -0.248635E-04    0.726557E+02  0.342210E-06 0.100000E-04    0.971562E+00
  86    0.197627E-04    0.681888E+02 -0.289823E-06 0.100000E-04    0.998345E+00
  87    0.461963E-04    0.654342E+02 -0.705996E-06 0.100000E-04    0.998809E+00
  88   -0.166032E-04    0.624724E+02  0.265770E-06 0.100000E-04    0.993386E+00
  89   -0.826460E-05    0.599662E+02  0.137821E-06 0.100000E-04    0.955928E+00
  90    0.515356E-04    0.593988E+02 -0.867620E-06 0.100000E-04    0.993596E+00
  91   -0.510846E-04    0.588064E+02  0.868692E-06 0.100000E-04    0.999556E+00
  92   -0.612879E-04    0.560342E+02  0.109376E-05 0.100000E-04    0.994011E+00
  93    0.122375E-04    0.525633E+02 -0.232815E-06 0.100000E-04    0.953103E+00
  94    0.571054E-04    0.523013E+02 -0.109185E-05 0.100000E-04    0.999431E+00
  95   -0.884705E-05    0.500128E+02  0.176896E-06 0.100000E-04    0.950527E+00
  96    0.761519E-05    0.469369E+02 -0.162243E-06 0.100000E-04    0.990140E+00
  97    0.399488E-04    0.429512E+02 -0.930098E-06 0.100000E-04    0.978522E+00
  98    0.564278E-04    0.406702E+02 -0.138745E-05 0.100000E-04    0.995705E+00
  99   -0.117456E-03    0.378011E+02  0.310720E-05 0.100000E-04    0.994222E+00
 100   -0.792120E-04    0.364058E+02  0.217581E-05 0.100000E-04    0.999322E+00
 101   -0.222382E-04    0.333356E+02  0.667099E-06 0.100000E-04    0.954280E+00
 102    0.110221E-03    0.287862E+02 -0.382897E-05 0.100000E-04    0.999321E+00
 103    0.477196E-04    0.285198E+02 -0.167321E-05 0.100000E-04    0.997380E+00
 104   -0.137639E-03    0.266937E+02  0.515624E-05 0.100000E-04    0.996989E+00
 105    0.716990E-04    0.231936E+02 -0.309133E-05 0.100000E-04    0.995585E+00
 106   -0.610506E-04    0.210348E+02  0.290237E-05 0.100000E-04    0.986393E+00
 107    0.441124E-04    0.204637E+02 -0.215565E-05 0.100000E-04    0.952015E+00
 108   -0.326794E-05    0.167100E+02  0.195568E-06 0.100000E-04    0.687699E+00
 109    0.724818E-04    0.138443E+02 -0.523551E-05 0.100000E-04    0.998791E+00
 110   -0.131699E-01    0.122393E+02  0.100000E-04 0.100000E-04    0.556894E+00
 111   -0.638881E-04    0.100366E+02  0.636552E-05 0.100000E-04    0.887549E+00
 112    0.172491E-01    0.851719E+01 -0.202607E-04 0.202607E-04    0.393603E-01
 113    0.357855E-01    0.630470E+01 -0.416770E-04 0.416770E-04    0.258858E+00
 114    0.816794E+00    0.366467E+01  0.400000E-03 0.400000E-03    0.207802E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2127913975    

 Beginning of optimization cycle  435.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3255500698
 potential> RMS force:                                               0.0767355197   |gradient|=.8193111486    
 Eigenvalues of the Hessian matrix:
   740.25860    674.37955    628.38317    602.80265    587.25358    575.94901 
   566.97009    485.73465    462.57513    460.63659    441.65590    428.97376 
   422.09587    408.53232    396.85653    388.46546    368.91011    360.88981 
   350.03098    335.01909    327.60451    321.66798    319.66255    310.63867 
   302.31866    289.66400    278.36798    271.60365    267.73263    264.71722 
   261.59283    253.79577    241.77929    239.62938    233.94501    227.87729 
   217.99727    214.53495    213.00086    207.20492    203.46310    196.57869 
   194.89141    191.34996    183.27319    174.17454    172.29992    167.78877 
   164.12215    157.80924    154.48284    151.94110    147.65802    143.47913 
   137.51112    135.93633    130.51385    128.51959    126.51363    125.05109 
   119.90435    118.14257    117.11325    110.50433    107.22817    104.48743 
   103.01847     99.67733     95.84014     93.99444     93.37743     90.89402 
    89.10921     85.29733     80.87073     80.04908     78.16391     73.09263 
    72.65890     68.18757     65.42580     62.46110     59.96673     59.39756 
    58.79948     56.03355     52.56245     52.30024     50.01291     46.92966 
    42.95339     40.67305     37.80388     36.40745     33.32299     28.78618 
    28.51851     26.68658     23.19550     21.03808     20.45662     16.70818 
    13.84487     12.23924     10.03775      8.51605      6.29600      3.65884 
overlap for current and previous eigenvector    109 is         0.9999998069
overlap for current and previous eigenvector    110 is         0.9999997088
overlap for current and previous eigenvector    111 is         0.9999997728
overlap for current and previous eigenvector    112 is         0.9999991948
overlap for current and previous eigenvector    113 is         0.9999989870
overlap for current and previous eigenvector    114 is         0.9999996248
J1,K1,R1,R2,RAT=   7   7   -0.4932560456E-02     2.004749473        0.9950674395    
FOB,PFOB,DIAG,PSTEP=   -0.7744355039E-05   -0.7706339573E-05     740.2586029        0.1041128745E-07
J1,K1,R1,R2,RAT=   8   8    0.7368127635E-02     1.992612197        0.9926121965    
FOB,PFOB,DIAG,PSTEP=   -0.7217096273E-05   -0.7270668010E-05     674.3795515        0.1078137604E-07
J1,K1,R1,R2,RAT=   9   9    0.1429956926E-01     1.985648448        0.9856484476    
FOB,PFOB,DIAG,PSTEP=   -0.2644643326E-05   -0.2683010213E-05     628.3831667        0.4269815127E-08
J1,K1,R1,R2,RAT=  10  10   -0.3172910417E-01     2.031789610        0.9682708958    
FOB,PFOB,DIAG,PSTEP=    0.2998455165E-05    0.2906245391E-05     602.8026473       -0.4821076159E-08
J1,K1,R1,R2,RAT=  11  11   -0.1438138928E-01     2.014410875        0.9856186107    
FOB,PFOB,DIAG,PSTEP=   -0.2063704021E-05   -0.2034446288E-05     587.2535814        0.3464289293E-08
J1,K1,R1,R2,RAT= 109 109    0.3774543240E-02     1.996138709        0.9961387088    
FOB,PFOB,DIAG,PSTEP=    0.7220816733E-04    0.7248176475E-04     13.84486588       -0.5235508191E-05
J1,K1,R1,R2,RAT= 110 110   -0.4722086615         215.6806274        0.5277913385    
FOB,PFOB,DIAG,PSTEP=   -0.1322773297E-01   -0.1316993822E-01     12.23924073        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.6189136619E-02     2.005959706        0.9938108634    
FOB,PFOB,DIAG,PSTEP=   -0.6428359402E-04   -0.6388813626E-04     10.03774936        0.6365517181E-05
J1,K1,R1,R2,RAT= 112 112   -0.7608930197         200.7028911        0.2391069803    
FOB,PFOB,DIAG,PSTEP=    0.1738038635E-01    0.1724910107E-01     8.516051105       -0.2026068739E-04
J1,K1,R1,R2,RAT= 113 113   -0.8365895837         273.5932281        0.1634104163    
FOB,PFOB,DIAG,PSTEP=    0.3600497642E-01    0.3578545662E-01     6.296003695       -0.4167698130E-04
J1,K1,R1,R2,RAT= 114 114    0.9799146532        -1117.171291        0.2008534675E-01
FOB,PFOB,DIAG,PSTEP=    0.8182280881        0.8167939463         3.658843652        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
    -0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002      0.00001      0.00002      0.00002 
    -0.00002      0.00001     -0.00002      0.00003     -0.00001      0.00003 
    -0.00004      0.00002      0.00002      0.00004      0.00002      0.00001 
     0.00002      0.00001     -0.00001      0.00003      0.00001     -0.00008 
     0.00003      0.00002      0.00008     -0.00003     -0.00004      0.00002 
    -0.00001      0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00003     -0.00002      0.00005      0.00002      0.00001     -0.00005 
     0.00005      0.00006      0.00001      0.00006     -0.00001     -0.00001 
    -0.00004     -0.00006     -0.00012     -0.00008      0.00002     -0.00011 
    -0.00005      0.00014     -0.00007      0.00006     -0.00004      0.00001 
     0.00007     -0.01323     -0.00006      0.01738      0.03600      0.81823 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4047211052
 Log product of positive Hessian eigenvalues =          519.3798150121
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6588436516
 Unscaled step for mode    7=        0.0000000105
 Unscaled step for mode    8=        0.0000000107
 Unscaled step for mode    9=        0.0000000042
 Unscaled step for mode   10=       -0.0000000050
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000131
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000073
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000090
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000471
 Unscaled step for mode   20=       -0.0000000103
 Unscaled step for mode   21=       -0.0000000119
 Unscaled step for mode   22=        0.0000000307
 Unscaled step for mode   23=       -0.0000000059
 Unscaled step for mode   24=        0.0000000175
 Unscaled step for mode   25=        0.0000000684
 Unscaled step for mode   26=        0.0000001089
 Unscaled step for mode   27=        0.0000000536
 Unscaled step for mode   28=       -0.0000000360
 Unscaled step for mode   29=       -0.0000000936
 Unscaled step for mode   30=        0.0000000774
 Unscaled step for mode   31=        0.0000000772
 Unscaled step for mode   32=        0.0000000391
 Unscaled step for mode   33=       -0.0000000548
 Unscaled step for mode   34=        0.0000000669
 Unscaled step for mode   35=       -0.0000000951
 Unscaled step for mode   36=       -0.0000000924
 Unscaled step for mode   37=        0.0000000809
 Unscaled step for mode   38=       -0.0000000194
 Unscaled step for mode   39=        0.0000000912
 Unscaled step for mode   40=        0.0000001215
 Unscaled step for mode   41=        0.0000002067
 Unscaled step for mode   42=        0.0000000909
 Unscaled step for mode   43=        0.0000000943
 Unscaled step for mode   44=        0.0000001892
 Unscaled step for mode   45=       -0.0000000246
 Unscaled step for mode   46=       -0.0000001681
 Unscaled step for mode   47=        0.0000001343
 Unscaled step for mode   48=       -0.0000000340
 Unscaled step for mode   49=       -0.0000001603
 Unscaled step for mode   50=        0.0000000373
 Unscaled step for mode   51=        0.0000001007
 Unscaled step for mode   52=       -0.0000000434
 Unscaled step for mode   53=       -0.0000000883
 Unscaled step for mode   54=       -0.0000001439
 Unscaled step for mode   55=        0.0000001428
 Unscaled step for mode   56=       -0.0000000477
 Unscaled step for mode   57=        0.0000001019
 Unscaled step for mode   58=       -0.0000001808
 Unscaled step for mode   59=        0.0000000468
 Unscaled step for mode   60=       -0.0000001751
 Unscaled step for mode   61=        0.0000002609
 Unscaled step for mode   62=       -0.0000001747
 Unscaled step for mode   63=       -0.0000001309
 Unscaled step for mode   64=       -0.0000003164
 Unscaled step for mode   65=       -0.0000001893
 Unscaled step for mode   66=       -0.0000000851
 Unscaled step for mode   67=       -0.0000001318
 Unscaled step for mode   68=       -0.0000000734
 Unscaled step for mode   69=        0.0000000728
 Unscaled step for mode   70=       -0.0000002967
 Unscaled step for mode   71=       -0.0000000677
 Unscaled step for mode   72=        0.0000007720
 Unscaled step for mode   73=       -0.0000002847
 Unscaled step for mode   74=       -0.0000002265
 Unscaled step for mode   75=       -0.0000008685
 Unscaled step for mode   76=        0.0000002738
 Unscaled step for mode   77=        0.0000004474
 Unscaled step for mode   78=       -0.0000001651
 Unscaled step for mode   79=        0.0000000737
 Unscaled step for mode   80=       -0.0000002402
 Unscaled step for mode   81=        0.0000003550
 Unscaled step for mode   82=        0.0000002197
 Unscaled step for mode   83=       -0.0000001780
 Unscaled step for mode   84=       -0.0000008022
 Unscaled step for mode   85=        0.0000003444
 Unscaled step for mode   86=        0.0000002938
 Unscaled step for mode   87=       -0.0000007114
 Unscaled step for mode   88=       -0.0000002684
 Unscaled step for mode   89=       -0.0000001315
 Unscaled step for mode   90=        0.0000008643
 Unscaled step for mode   91=       -0.0000008848
 Unscaled step for mode   92=       -0.0000010863
 Unscaled step for mode   93=       -0.0000002388
 Unscaled step for mode   94=       -0.0000010968
 Unscaled step for mode   95=        0.0000001856
 Unscaled step for mode   96=        0.0000001728
 Unscaled step for mode   97=        0.0000009499
 Unscaled step for mode   98=        0.0000013975
 Unscaled step for mode   99=        0.0000031269
 Unscaled step for mode  100=        0.0000021736
 Unscaled step for mode  101=       -0.0000007031
 Unscaled step for mode  102=        0.0000038547
 Unscaled step for mode  103=        0.0000016692
 Unscaled step for mode  104=       -0.0000052069
 Unscaled step for mode  105=        0.0000031188
 Unscaled step for mode  106=       -0.0000029527
 Unscaled step for mode  107=        0.0000019524
 Unscaled step for mode  108=       -0.0000003446
 Unscaled step for mode  109=       -0.0000052155
 Unscaled step for mode  110=        0.0010807629
 Unscaled step for mode  111=        0.0000064042
 Unscaled step for mode  112=       -0.0020408889
 Unscaled step for mode  113=       -0.0057185162
 Unscaled step for mode  114=        0.2134421910
 Largest modulus ratio of non-zero e/values=           202.3203704    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.113028E-14    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.102978E-14    0.100684E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.136609E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.539391E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.648589E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.852603E-15    0.974072E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.774436E-05    0.740259E+03  0.104617E-07 0.100000E-04    0.995067E+00
   8   -0.721710E-05    0.674380E+03  0.107018E-07 0.100000E-04    0.992612E+00
   9   -0.264464E-05    0.628383E+03  0.420865E-08 0.100000E-04    0.985648E+00
  10    0.299846E-05    0.602803E+03 -0.497419E-08 0.100000E-04    0.968271E+00
  11   -0.206370E-05    0.587254E+03  0.351416E-08 0.100000E-04    0.985619E+00
  12   -0.754040E-05    0.575949E+03  0.130921E-07 0.100000E-04    0.988316E+00
  13   -0.349882E-05    0.566970E+03  0.617109E-08 0.100000E-04    0.988162E+00
  14    0.355758E-05    0.485735E+03 -0.732412E-08 0.100000E-04    0.992592E+00
  15    0.212081E-05    0.462575E+03 -0.458479E-08 0.100000E-04    0.997327E+00
  16    0.740078E-05    0.460637E+03 -0.160664E-07 0.100000E-04    0.992562E+00
  17    0.398876E-05    0.441656E+03 -0.903137E-08 0.100000E-04    0.980993E+00
  18    0.425932E-05    0.428974E+03 -0.992910E-08 0.100000E-04    0.996081E+00
  19   -0.198982E-04    0.422096E+03  0.471415E-07 0.100000E-04    0.995045E+00
  20    0.420844E-05    0.408532E+03 -0.103014E-07 0.100000E-04    0.995697E+00
  21    0.472672E-05    0.396857E+03 -0.119104E-07 0.100000E-04    0.992401E+00
  22   -0.119125E-04    0.388465E+03  0.306654E-07 0.100000E-04    0.996839E+00
  23    0.218542E-05    0.368910E+03 -0.592400E-08 0.100000E-04    0.948146E+00
  24   -0.632472E-05    0.360890E+03  0.175253E-07 0.100000E-04    0.994255E+00
  25   -0.239507E-04    0.350031E+03  0.684244E-07 0.100000E-04    0.997248E+00
  26   -0.364778E-04    0.335019E+03  0.108883E-06 0.100000E-04    0.997136E+00
  27   -0.175504E-04    0.327605E+03  0.535719E-07 0.100000E-04    0.999608E+00
  28    0.115919E-04    0.321668E+03 -0.360368E-07 0.100000E-04    0.999191E+00
  29    0.299107E-04    0.319663E+03 -0.935696E-07 0.100000E-04    0.991527E+00
  30   -0.240495E-04    0.310639E+03  0.774194E-07 0.100000E-04    0.991648E+00
  31   -0.233504E-04    0.302319E+03  0.772376E-07 0.100000E-04    0.997247E+00
  32   -0.113313E-04    0.289664E+03  0.391187E-07 0.100000E-04    0.997758E+00
  33    0.152674E-04    0.278368E+03 -0.548461E-07 0.100000E-04    0.990515E+00
  34   -0.181744E-04    0.271604E+03  0.669151E-07 0.100000E-04    0.991987E+00
  35    0.254715E-04    0.267733E+03 -0.951377E-07 0.100000E-04    0.995825E+00
  36    0.244715E-04    0.264717E+03 -0.924440E-07 0.100000E-04    0.997694E+00
  37   -0.211716E-04    0.261593E+03  0.809336E-07 0.100000E-04    0.998188E+00
  38    0.491672E-05    0.253796E+03 -0.193727E-07 0.100000E-04    0.989879E+00
  39   -0.220510E-04    0.241779E+03  0.912029E-07 0.100000E-04    0.996517E+00
  40   -0.291194E-04    0.239629E+03  0.121518E-06 0.100000E-04    0.995624E+00
  41   -0.483452E-04    0.233945E+03  0.206652E-06 0.100000E-04    0.999900E+00
  42   -0.207195E-04    0.227877E+03  0.909239E-07 0.100000E-04    0.996985E+00
  43   -0.205480E-04    0.217997E+03  0.942581E-07 0.100000E-04    0.995006E+00
  44   -0.405855E-04    0.214535E+03  0.189179E-06 0.100000E-04    0.999053E+00
  45    0.523330E-05    0.213001E+03 -0.245694E-07 0.100000E-04    0.948939E+00
  46    0.348239E-04    0.207205E+03 -0.168065E-06 0.100000E-04    0.999715E+00
  47   -0.273217E-04    0.203463E+03  0.134283E-06 0.100000E-04    0.993942E+00
  48    0.667918E-05    0.196579E+03 -0.339771E-07 0.100000E-04    0.981354E+00
  49    0.312351E-04    0.194891E+03 -0.160269E-06 0.100000E-04    0.995984E+00
  50   -0.713874E-05    0.191350E+03  0.373072E-07 0.100000E-04    0.939150E+00
  51   -0.184641E-04    0.183273E+03  0.100746E-06 0.100000E-04    0.998145E+00
  52    0.755523E-05    0.174175E+03 -0.433774E-07 0.100000E-04    0.993469E+00
  53    0.152144E-04    0.172300E+03 -0.883019E-07 0.100000E-04    0.994448E+00
  54    0.241411E-04    0.167789E+03 -0.143878E-06 0.100000E-04    0.998950E+00
  55   -0.234338E-04    0.164122E+03  0.142783E-06 0.100000E-04    0.999427E+00
  56    0.753394E-05    0.157809E+03 -0.477408E-07 0.100000E-04    0.994679E+00
  57   -0.157382E-04    0.154483E+03  0.101877E-06 0.100000E-04    0.991832E+00
  58    0.274782E-04    0.151941E+03 -0.180848E-06 0.100000E-04    0.999397E+00
  59   -0.691691E-05    0.147658E+03  0.468441E-07 0.100000E-04    0.987493E+00
  60    0.251172E-04    0.143479E+03 -0.175058E-06 0.100000E-04    0.999979E+00
  61   -0.358754E-04    0.137511E+03  0.260891E-06 0.100000E-04    0.988584E+00
  62    0.237443E-04    0.135936E+03 -0.174672E-06 0.100000E-04    0.998658E+00
  63    0.170833E-04    0.130514E+03 -0.130892E-06 0.100000E-04    0.984970E+00
  64    0.406576E-04    0.128520E+03 -0.316353E-06 0.100000E-04    0.995652E+00
  65    0.239533E-04    0.126514E+03 -0.189334E-06 0.100000E-04    0.987782E+00
  66    0.106479E-04    0.125051E+03 -0.851484E-07 0.100000E-04    0.995615E+00
  67    0.158051E-04    0.119904E+03 -0.131814E-06 0.100000E-04    0.992441E+00
  68    0.866751E-05    0.118143E+03 -0.733648E-07 0.100000E-04    0.993794E+00
  69   -0.853157E-05    0.117113E+03  0.728489E-07 0.100000E-04    0.980911E+00
  70    0.327837E-04    0.110504E+03 -0.296674E-06 0.100000E-04    0.993118E+00
  71    0.725878E-05    0.107228E+03 -0.676947E-07 0.100000E-04    0.994242E+00
  72   -0.806636E-04    0.104487E+03  0.771993E-06 0.100000E-04    0.994761E+00
  73    0.293332E-04    0.103018E+03 -0.284737E-06 0.100000E-04    0.999701E+00
  74    0.225818E-04    0.996773E+02 -0.226549E-06 0.100000E-04    0.995797E+00
  75    0.832343E-04    0.958401E+02 -0.868470E-06 0.100000E-04    0.999723E+00
  76   -0.257324E-04    0.939944E+02  0.273765E-06 0.100000E-04    0.988522E+00
  77   -0.417782E-04    0.933774E+02  0.447412E-06 0.100000E-04    0.989673E+00
  78    0.150075E-04    0.908940E+02 -0.165110E-06 0.100000E-04    0.996673E+00
  79   -0.656462E-05    0.891092E+02  0.736693E-07 0.100000E-04    0.993239E+00
  80    0.204886E-04    0.852973E+02 -0.240202E-06 0.100000E-04    0.993163E+00
  81   -0.287071E-04    0.808707E+02  0.354975E-06 0.100000E-04    0.999253E+00
  82   -0.175834E-04    0.800491E+02  0.219658E-06 0.100000E-04    0.991897E+00
  83    0.139122E-04    0.781639E+02 -0.177988E-06 0.100000E-04    0.982342E+00
  84    0.586315E-04    0.730926E+02 -0.802154E-06 0.100000E-04    0.990083E+00
  85   -0.250264E-04    0.726589E+02  0.344436E-06 0.100000E-04    0.993452E+00
  86   -0.200306E-04    0.681876E+02  0.293758E-06 0.100000E-04    0.986439E+00
  87    0.465436E-04    0.654258E+02 -0.711395E-06 0.100000E-04    0.992480E+00
  88    0.167660E-04    0.624611E+02 -0.268424E-06 0.100000E-04    0.990193E+00
  89    0.788332E-05    0.599667E+02 -0.131462E-06 0.100000E-04    0.953848E+00
  90   -0.513378E-04    0.593976E+02  0.864308E-06 0.100000E-04    0.996162E+00
  91    0.520248E-04    0.587995E+02 -0.884783E-06 0.100000E-04    0.981595E+00
  92    0.608668E-04    0.560335E+02 -0.108626E-05 0.100000E-04    0.993128E+00
  93    0.125494E-04    0.525624E+02 -0.238752E-06 0.100000E-04    0.974518E+00
  94    0.573604E-04    0.523002E+02 -0.109675E-05 0.100000E-04    0.995535E+00
  95   -0.928426E-05    0.500129E+02  0.185637E-06 0.100000E-04    0.950581E+00
  96   -0.810735E-05    0.469297E+02  0.172755E-06 0.100000E-04    0.935362E+00
  97   -0.408009E-04    0.429534E+02  0.949888E-06 0.100000E-04    0.978671E+00
  98   -0.568406E-04    0.406731E+02  0.139750E-05 0.100000E-04    0.992685E+00
  99   -0.118210E-03    0.378039E+02  0.312692E-05 0.100000E-04    0.993583E+00
 100   -0.791342E-04    0.364074E+02  0.217357E-05 0.100000E-04    0.998926E+00
 101    0.234285E-04    0.333230E+02 -0.703073E-06 0.100000E-04    0.946452E+00
 102   -0.110961E-03    0.287862E+02  0.385465E-05 0.100000E-04    0.993291E+00
 103   -0.476041E-04    0.285185E+02  0.166924E-05 0.100000E-04    0.997581E+00
 104    0.138955E-03    0.266866E+02 -0.520693E-05 0.100000E-04    0.990437E+00
 105   -0.723419E-04    0.231955E+02  0.311879E-05 0.100000E-04    0.991034E+00
 106    0.621184E-04    0.210381E+02 -0.295266E-05 0.100000E-04    0.982512E+00
 107   -0.399403E-04    0.204566E+02  0.195244E-05 0.100000E-04    0.905388E+00
 108    0.575790E-05    0.167082E+02 -0.344615E-06 0.100000E-04    0.237985E+00
 109    0.722082E-04    0.138449E+02 -0.521552E-05 0.100000E-04    0.996139E+00
 110   -0.132277E-01    0.122392E+02  0.100000E-04 0.100000E-04    0.527791E+00
 111   -0.642836E-04    0.100377E+02  0.640418E-05 0.100000E-04    0.993811E+00
 112    0.173804E-01    0.851605E+01 -0.182529E-04 0.182529E-04    0.239107E+00
 113    0.360050E-01    0.629600E+01 -0.454279E-04 0.454279E-04    0.163410E+00
 114    0.818228E+00    0.365884E+01  0.400000E-03 0.400000E-03    0.200853E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2134421910    

 Beginning of optimization cycle  436.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3252245646
 potential> RMS force:                                               0.0768706236   |gradient|=.8207536639    
 Eigenvalues of the Hessian matrix:
   740.32658    674.38574    628.39961    602.78462    587.24473    575.99022 
   566.96445    485.76158    462.55202    460.63005    441.65947    428.96892 
   422.09650    408.53447    396.85177    388.45913    368.92215    360.88269 
   350.02296    335.01605    327.62305    321.67244    319.64984    310.62483 
   302.30007    289.67518    278.36605    271.61579    267.74036    264.71913 
   261.61702    253.79139    241.77439    239.64241    233.93810    227.86971 
   217.97762    214.54140    213.00736    207.20716    203.45987    196.56769 
   194.88795    191.34828    183.26441    174.16930    172.30192    167.79246 
   164.11220    157.79722    154.48723    151.94674    147.64754    143.48053 
   137.51606    135.93600    130.51248    128.52352    126.51816    125.04405 
   119.90553    118.14291    117.11319    110.50039    107.22367    104.48522 
   103.01657     99.67642     95.84314     94.00081     93.36002     90.89740 
    89.10247     85.30030     80.87004     80.05167     78.16241     73.09669 
    72.66192     68.18619     65.41743     62.44973     59.96728     59.39632 
    58.79238     56.03284     52.56153     52.29910     50.01302     46.92234 
    42.95568     40.67590     37.80653     36.40885     33.31031     28.78617 
    28.51728     26.67944     23.19744     21.04136     20.44952     16.70634 
    13.84546     12.23921     10.03891      8.51500      6.28728      3.65302 
overlap for current and previous eigenvector    109 is         0.9999998019
overlap for current and previous eigenvector    110 is         0.9999997062
overlap for current and previous eigenvector    111 is         0.9999997631
overlap for current and previous eigenvector    112 is        -0.9999992125
overlap for current and previous eigenvector    113 is         0.9999989972
overlap for current and previous eigenvector    114 is         0.9999996105
J1,K1,R1,R2,RAT=   7   7   -0.3918691616E-02     2.003735053        0.9960813084    
FOB,PFOB,DIAG,PSTEP=   -0.7774705565E-05   -0.7744355039E-05     740.3265791        0.1046168867E-07
J1,K1,R1,R2,RAT=   8   8   -0.1174759229E-01     2.011729248        0.9882524077    
FOB,PFOB,DIAG,PSTEP=   -0.7301880555E-05   -0.7217096273E-05     674.3857372        0.1070183142E-07
J1,K1,R1,R2,RAT=   9   9   -0.2556624901E-01     2.025513905        0.9744337510    
FOB,PFOB,DIAG,PSTEP=   -0.2712258705E-05   -0.2644643326E-05     628.3996131        0.4208647631E-08
J1,K1,R1,R2,RAT=  10  10    0.1929092748E-01     1.980768873        0.9807090725    
FOB,PFOB,DIAG,PSTEP=    0.2940613913E-05    0.2998455165E-05     602.7846238       -0.4974190439E-08
J1,K1,R1,R2,RAT=  11  11   -0.3194506811E-02     2.003224664        0.9968054932    
FOB,PFOB,DIAG,PSTEP=   -0.2070296438E-05   -0.2063704021E-05     587.2447267        0.3514161660E-08
J1,K1,R1,R2,RAT= 109 109    0.1552955047E-02     1.998360896        0.9983608960    
FOB,PFOB,DIAG,PSTEP=    0.7209602646E-04    0.7220816733E-04     13.84546226       -0.5215519454E-05
J1,K1,R1,R2,RAT= 110 110   -0.4468503973         216.6001501        0.5531496027    
FOB,PFOB,DIAG,PSTEP=   -0.1328242395E-01   -0.1322773297E-01     12.23921448        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.7269490856E-02     1.992499435        0.9924994354    
FOB,PFOB,DIAG,PSTEP=   -0.6381623103E-04   -0.6428359402E-04     10.03890923        0.6404184015E-05
J1,K1,R1,R2,RAT= 112 112     224.6355766       -0.9830812234        0.1691877657E-01
FOB,PFOB,DIAG,PSTEP=   -0.1753317992E-01    0.1738038635E-01     8.514996559       -0.1825287152E-04
J1,K1,R1,R2,RAT= 113 113   -0.7585459520         252.8782896        0.2414540480    
FOB,PFOB,DIAG,PSTEP=    0.3622163084E-01    0.3600497642E-01     6.287281660       -0.4542790962E-04
J1,K1,R1,R2,RAT= 114 114    0.9791470839        -1120.912894        0.2085291608E-01
FOB,PFOB,DIAG,PSTEP=    0.8196588257        0.8182280881         3.653020057        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
     0.00002      0.00000     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002      0.00001     -0.00002      0.00003     -0.00001     -0.00003 
    -0.00004      0.00002     -0.00002     -0.00004     -0.00002     -0.00001 
    -0.00002     -0.00001      0.00001      0.00003      0.00001     -0.00008 
    -0.00003     -0.00002      0.00008      0.00003      0.00004      0.00002 
    -0.00001      0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00002     -0.00002      0.00005      0.00002      0.00001     -0.00005 
     0.00005      0.00006      0.00001      0.00006     -0.00001     -0.00001 
     0.00004      0.00006     -0.00012     -0.00008      0.00002      0.00011 
    -0.00005     -0.00014     -0.00007      0.00006     -0.00004      0.00000 
     0.00007     -0.01328     -0.00006     -0.01753      0.03622      0.81966 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4044743255
 Log product of positive Hessian eigenvalues =          519.3753329051
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6530200565
 Unscaled step for mode    7=        0.0000000105
 Unscaled step for mode    8=        0.0000000108
 Unscaled step for mode    9=        0.0000000043
 Unscaled step for mode   10=       -0.0000000049
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000133
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000075
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000088
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000471
 Unscaled step for mode   20=       -0.0000000101
 Unscaled step for mode   21=       -0.0000000117
 Unscaled step for mode   22=        0.0000000307
 Unscaled step for mode   23=       -0.0000000062
 Unscaled step for mode   24=        0.0000000177
 Unscaled step for mode   25=        0.0000000685
 Unscaled step for mode   26=        0.0000001088
 Unscaled step for mode   27=        0.0000000536
 Unscaled step for mode   28=       -0.0000000359
 Unscaled step for mode   29=       -0.0000000938
 Unscaled step for mode   30=        0.0000000777
 Unscaled step for mode   31=        0.0000000779
 Unscaled step for mode   32=        0.0000000393
 Unscaled step for mode   33=       -0.0000000546
 Unscaled step for mode   34=        0.0000000670
 Unscaled step for mode   35=       -0.0000000955
 Unscaled step for mode   36=       -0.0000000929
 Unscaled step for mode   37=       -0.0000000808
 Unscaled step for mode   38=       -0.0000000196
 Unscaled step for mode   39=        0.0000000911
 Unscaled step for mode   40=        0.0000001222
 Unscaled step for mode   41=        0.0000002071
 Unscaled step for mode   42=        0.0000000916
 Unscaled step for mode   43=        0.0000000947
 Unscaled step for mode   44=        0.0000001905
 Unscaled step for mode   45=       -0.0000000246
 Unscaled step for mode   46=       -0.0000001687
 Unscaled step for mode   47=        0.0000001344
 Unscaled step for mode   48=       -0.0000000336
 Unscaled step for mode   49=       -0.0000001612
 Unscaled step for mode   50=        0.0000000354
 Unscaled step for mode   51=        0.0000001011
 Unscaled step for mode   52=       -0.0000000437
 Unscaled step for mode   53=       -0.0000000882
 Unscaled step for mode   54=        0.0000001446
 Unscaled step for mode   55=        0.0000001430
 Unscaled step for mode   56=       -0.0000000475
 Unscaled step for mode   57=        0.0000001019
 Unscaled step for mode   58=       -0.0000001811
 Unscaled step for mode   59=        0.0000000468
 Unscaled step for mode   60=        0.0000001753
 Unscaled step for mode   61=        0.0000002593
 Unscaled step for mode   62=       -0.0000001742
 Unscaled step for mode   63=        0.0000001280
 Unscaled step for mode   64=        0.0000003170
 Unscaled step for mode   65=        0.0000001876
 Unscaled step for mode   66=        0.0000000836
 Unscaled step for mode   67=        0.0000001337
 Unscaled step for mode   68=        0.0000000730
 Unscaled step for mode   69=       -0.0000000722
 Unscaled step for mode   70=       -0.0000002992
 Unscaled step for mode   71=       -0.0000000679
 Unscaled step for mode   72=        0.0000007720
 Unscaled step for mode   73=        0.0000002840
 Unscaled step for mode   74=        0.0000002242
 Unscaled step for mode   75=       -0.0000008676
 Unscaled step for mode   76=       -0.0000002676
 Unscaled step for mode   77=       -0.0000004498
 Unscaled step for mode   78=       -0.0000001686
 Unscaled step for mode   79=        0.0000000725
 Unscaled step for mode   80=       -0.0000002408
 Unscaled step for mode   81=        0.0000003561
 Unscaled step for mode   82=        0.0000002237
 Unscaled step for mode   83=       -0.0000001805
 Unscaled step for mode   84=       -0.0000007988
 Unscaled step for mode   85=        0.0000003352
 Unscaled step for mode   86=        0.0000002941
 Unscaled step for mode   87=       -0.0000007106
 Unscaled step for mode   88=       -0.0000002684
 Unscaled step for mode   89=       -0.0000001382
 Unscaled step for mode   90=        0.0000008592
 Unscaled step for mode   91=       -0.0000008860
 Unscaled step for mode   92=       -0.0000010918
 Unscaled step for mode   93=       -0.0000002499
 Unscaled step for mode   94=       -0.0000010917
 Unscaled step for mode   95=        0.0000001728
 Unscaled step for mode   96=        0.0000001741
 Unscaled step for mode   97=       -0.0000009327
 Unscaled step for mode   98=       -0.0000013931
 Unscaled step for mode   99=        0.0000031058
 Unscaled step for mode  100=        0.0000021727
 Unscaled step for mode  101=       -0.0000006752
 Unscaled step for mode  102=       -0.0000038450
 Unscaled step for mode  103=        0.0000016785
 Unscaled step for mode  104=        0.0000051944
 Unscaled step for mode  105=        0.0000031240
 Unscaled step for mode  106=       -0.0000029256
 Unscaled step for mode  107=        0.0000020757
 Unscaled step for mode  108=       -0.0000002423
 Unscaled step for mode  109=       -0.0000052072
 Unscaled step for mode  110=        0.0010852337
 Unscaled step for mode  111=        0.0000063569
 Unscaled step for mode  112=        0.0020590855
 Unscaled step for mode  113=       -0.0057609044
 Unscaled step for mode  114=        0.2140937678
 Largest modulus ratio of non-zero e/values=           202.6615150    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.858688E-16    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.125507E-14    0.100684E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.689769E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.142615E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.939882E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.346430E-15    0.974074E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.777471E-05    0.740327E+03  0.105017E-07 0.100000E-04    0.996081E+00
   8   -0.730188E-05    0.674386E+03  0.108275E-07 0.100000E-04    0.988252E+00
   9   -0.271226E-05    0.628400E+03  0.431614E-08 0.100000E-04    0.974434E+00
  10    0.294061E-05    0.602785E+03 -0.487838E-08 0.100000E-04    0.980709E+00
  11   -0.207030E-05    0.587245E+03  0.352544E-08 0.100000E-04    0.996805E+00
  12   -0.768170E-05    0.575990E+03  0.133365E-07 0.100000E-04    0.981262E+00
  13   -0.354076E-05    0.566964E+03  0.624511E-08 0.100000E-04    0.988014E+00
  14    0.365804E-05    0.485762E+03 -0.753052E-08 0.100000E-04    0.971764E+00
  15    0.215421E-05    0.462552E+03 -0.465722E-08 0.100000E-04    0.984251E+00
  16    0.736396E-05    0.460630E+03 -0.159867E-07 0.100000E-04    0.995025E+00
  17    0.390274E-05    0.441659E+03 -0.883653E-08 0.100000E-04    0.978418E+00
  18    0.424940E-05    0.428969E+03 -0.990609E-08 0.100000E-04    0.997671E+00
  19   -0.198866E-04    0.422096E+03  0.471140E-07 0.100000E-04    0.999414E+00
  20    0.414144E-05    0.408534E+03 -0.101373E-07 0.100000E-04    0.984070E+00
  21    0.465392E-05    0.396852E+03 -0.117271E-07 0.100000E-04    0.984598E+00
  22   -0.119360E-04    0.388459E+03  0.307266E-07 0.100000E-04    0.998023E+00
  23    0.229079E-05    0.368922E+03 -0.620942E-08 0.100000E-04    0.951788E+00
  24   -0.637813E-05    0.360883E+03  0.176737E-07 0.100000E-04    0.991555E+00
  25   -0.239778E-04    0.350023E+03  0.685034E-07 0.100000E-04    0.998868E+00
  26   -0.364393E-04    0.335016E+03  0.108769E-06 0.100000E-04    0.998944E+00
  27   -0.175591E-04    0.327623E+03  0.535954E-07 0.100000E-04    0.999505E+00
  28    0.115375E-04    0.321672E+03 -0.358673E-07 0.100000E-04    0.995281E+00
  29    0.299779E-04    0.319650E+03 -0.937835E-07 0.100000E-04    0.997753E+00
  30   -0.241276E-04    0.310625E+03  0.776745E-07 0.100000E-04    0.996749E+00
  31   -0.235376E-04    0.302300E+03  0.778617E-07 0.100000E-04    0.991981E+00
  32   -0.113815E-04    0.289675E+03  0.392905E-07 0.100000E-04    0.995569E+00
  33    0.151901E-04    0.278366E+03 -0.545687E-07 0.100000E-04    0.994936E+00
  34   -0.181931E-04    0.271616E+03  0.669809E-07 0.100000E-04    0.998972E+00
  35    0.255747E-04    0.267740E+03 -0.955206E-07 0.100000E-04    0.995947E+00
  36    0.245819E-04    0.264719E+03 -0.928604E-07 0.100000E-04    0.995489E+00
  37    0.211456E-04    0.261617E+03 -0.808265E-07 0.100000E-04    0.998584E+00
  38    0.497831E-05    0.253791E+03 -0.196157E-07 0.100000E-04    0.987473E+00
  39   -0.220290E-04    0.241774E+03  0.911137E-07 0.100000E-04    0.999002E+00
  40   -0.292909E-04    0.239642E+03  0.122227E-06 0.100000E-04    0.994112E+00
  41   -0.484462E-04    0.233938E+03  0.207090E-06 0.100000E-04    0.997910E+00
  42   -0.208826E-04    0.227870E+03  0.916427E-07 0.100000E-04    0.992128E+00
  43   -0.206508E-04    0.217978E+03  0.947380E-07 0.100000E-04    0.994998E+00
  44   -0.408640E-04    0.214541E+03  0.190471E-06 0.100000E-04    0.993138E+00
  45    0.524485E-05    0.213007E+03 -0.246229E-07 0.100000E-04    0.997792E+00
  46    0.349458E-04    0.207207E+03 -0.168652E-06 0.100000E-04    0.996500E+00
  47   -0.273371E-04    0.203460E+03  0.134361E-06 0.100000E-04    0.999436E+00
  48    0.660395E-05    0.196568E+03 -0.335963E-07 0.100000E-04    0.988736E+00
  49    0.314133E-04    0.194888E+03 -0.161187E-06 0.100000E-04    0.994293E+00
  50   -0.676974E-05    0.191348E+03  0.353791E-07 0.100000E-04    0.948310E+00
  51   -0.185194E-04    0.183264E+03  0.101053E-06 0.100000E-04    0.997003E+00
  52    0.761899E-05    0.174169E+03 -0.437447E-07 0.100000E-04    0.991561E+00
  53    0.151895E-04    0.172302E+03 -0.881566E-07 0.100000E-04    0.998342E+00
  54   -0.242696E-04    0.167792E+03  0.144641E-06 0.100000E-04    0.994677E+00
  55   -0.234731E-04    0.164112E+03  0.143031E-06 0.100000E-04    0.998323E+00
  56    0.749884E-05    0.157797E+03 -0.475220E-07 0.100000E-04    0.995340E+00
  57   -0.157477E-04    0.154487E+03  0.101935E-06 0.100000E-04    0.999398E+00
  58    0.275113E-04    0.151947E+03 -0.181059E-06 0.100000E-04    0.998798E+00
  59   -0.690792E-05    0.147648E+03  0.467865E-07 0.100000E-04    0.998699E+00
  60   -0.251460E-04    0.143481E+03  0.175257E-06 0.100000E-04    0.998853E+00
  61   -0.356510E-04    0.137516E+03  0.259250E-06 0.100000E-04    0.993675E+00
  62    0.236772E-04    0.135936E+03 -0.174179E-06 0.100000E-04    0.997176E+00
  63   -0.167019E-04    0.130512E+03  0.127972E-06 0.100000E-04    0.977678E+00
  64   -0.407435E-04    0.128524E+03  0.317012E-06 0.100000E-04    0.997888E+00
  65   -0.237347E-04    0.126518E+03  0.187599E-06 0.100000E-04    0.990802E+00
  66   -0.104493E-04    0.125044E+03  0.835653E-07 0.100000E-04    0.981352E+00
  67   -0.160304E-04    0.119906E+03  0.133692E-06 0.100000E-04    0.985747E+00
  68   -0.862270E-05    0.118143E+03  0.729853E-07 0.100000E-04    0.994824E+00
  69    0.845902E-05    0.117113E+03 -0.722295E-07 0.100000E-04    0.991497E+00
  70    0.330605E-04    0.110500E+03 -0.299189E-06 0.100000E-04    0.991556E+00
  71    0.727733E-05    0.107224E+03 -0.678705E-07 0.100000E-04    0.997444E+00
  72   -0.806659E-04    0.104485E+03  0.772032E-06 0.100000E-04    0.999971E+00
  73   -0.292535E-04    0.103017E+03  0.283969E-06 0.100000E-04    0.997283E+00
  74   -0.223467E-04    0.996764E+02  0.224192E-06 0.100000E-04    0.989589E+00
  75    0.831548E-04    0.958431E+02 -0.867613E-06 0.100000E-04    0.998982E+00
  76    0.251523E-04    0.940008E+02 -0.267575E-06 0.100000E-04    0.977321E+00
  77    0.419959E-04    0.933600E+02 -0.449827E-06 0.100000E-04    0.994789E+00
  78    0.153294E-04    0.908974E+02 -0.168645E-06 0.100000E-04    0.978553E+00
  79   -0.645924E-05    0.891025E+02  0.724922E-07 0.100000E-04    0.983946E+00
  80    0.205420E-04    0.853003E+02 -0.240820E-06 0.100000E-04    0.997394E+00
  81   -0.287982E-04    0.808700E+02  0.356104E-06 0.100000E-04    0.996828E+00
  82   -0.179089E-04    0.800517E+02  0.223717E-06 0.100000E-04    0.981491E+00
  83    0.141100E-04    0.781624E+02 -0.180522E-06 0.100000E-04    0.985781E+00
  84    0.583885E-04    0.730967E+02 -0.798785E-06 0.100000E-04    0.995745E+00
  85   -0.243589E-04    0.726619E+02  0.335236E-06 0.100000E-04    0.973246E+00
  86   -0.200560E-04    0.681862E+02  0.294136E-06 0.100000E-04    0.998735E+00
  87    0.464835E-04    0.654174E+02 -0.710567E-06 0.100000E-04    0.998708E+00
  88    0.167619E-04    0.624497E+02 -0.268407E-06 0.100000E-04    0.999755E+00
  89    0.828922E-05    0.599673E+02 -0.138229E-06 0.100000E-04    0.948512E+00
  90   -0.510352E-04    0.593963E+02  0.859231E-06 0.100000E-04    0.994105E+00
  91    0.520914E-04    0.587924E+02 -0.886023E-06 0.100000E-04    0.998718E+00
  92    0.611746E-04    0.560328E+02 -0.109176E-05 0.100000E-04    0.994943E+00
  93    0.131373E-04    0.525615E+02 -0.249941E-06 0.100000E-04    0.953151E+00
  94    0.570962E-04    0.522991E+02 -0.109172E-05 0.100000E-04    0.995394E+00
  95   -0.864393E-05    0.500130E+02  0.172834E-06 0.100000E-04    0.931026E+00
  96   -0.817057E-05    0.469223E+02  0.174130E-06 0.100000E-04    0.992200E+00
  97    0.400634E-04    0.429557E+02 -0.932668E-06 0.100000E-04    0.981818E+00
  98    0.566639E-04    0.406759E+02 -0.139306E-05 0.100000E-04    0.996751E+00
  99   -0.117418E-03    0.378065E+02  0.310577E-05 0.100000E-04    0.993167E+00
 100   -0.791067E-04    0.364089E+02  0.217273E-05 0.100000E-04    0.999575E+00
 101    0.224926E-04    0.333103E+02 -0.675245E-06 0.100000E-04    0.960038E+00
 102    0.110682E-03    0.287862E+02 -0.384496E-05 0.100000E-04    0.997485E+00
 103   -0.478657E-04    0.285173E+02  0.167848E-05 0.100000E-04    0.994505E+00
 104   -0.138583E-03    0.266794E+02  0.519438E-05 0.100000E-04    0.997323E+00
 105   -0.724692E-04    0.231974E+02  0.312402E-05 0.100000E-04    0.998240E+00
 106    0.615588E-04    0.210414E+02 -0.292561E-05 0.100000E-04    0.990682E+00
 107   -0.424469E-04    0.204495E+02  0.207569E-05 0.100000E-04    0.937219E+00
 108    0.404825E-05    0.167063E+02 -0.242318E-06 0.100000E-04    0.703045E+00
 109    0.720960E-04    0.138455E+02 -0.520720E-05 0.100000E-04    0.998361E+00
 110   -0.132824E-01    0.122392E+02  0.100000E-04 0.100000E-04    0.553150E+00
 111   -0.638162E-04    0.100389E+02  0.635689E-05 0.100000E-04    0.992499E+00
 112   -0.175332E-01    0.851500E+01  0.198956E-04 0.198956E-04    0.169188E-01
 113    0.362216E-01    0.628728E+01 -0.409260E-04 0.409260E-04    0.241454E+00
 114    0.819659E+00    0.365302E+01  0.400000E-03 0.400000E-03    0.208529E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2140937678    

 Beginning of optimization cycle  437.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3248983675
 potential> RMS force:                                               0.0770055906   |gradient|=.8221947163    
 Eigenvalues of the Hessian matrix:
   740.39435    674.39237    628.41591    602.76630    587.23617    576.03100 
   566.95916    485.78872    462.52903    460.62350    441.66316    428.96371 
   422.09703    408.53669    396.84707    388.45274    368.93420    360.87553 
   350.01473    335.01297    327.64148    321.67705    319.63674    310.61111 
   302.28132    289.68632    278.36397    271.62785    267.74793    264.72091 
   261.64085    253.78686    241.76931    239.65525    233.93110    227.86191 
   217.95801    214.54772    213.01380    207.20937    203.45665    196.55669 
   194.88434    191.34660    183.25551    174.16409    172.30383    167.79605 
   164.10231    157.78526    154.49154    151.95240    147.63719    143.48203 
   137.52093    135.93563    130.51125    128.52736    126.52271    125.03716 
   119.90671    118.14328    117.11322    110.49647    107.21929    104.48310 
   103.01467     99.67555     95.84627     94.00712     93.34259     90.90069 
    89.09578     85.30321     80.86935     80.05414     78.16094     73.10088 
    72.66506     68.18496     65.40923     62.43834     59.96780     59.39524 
    58.78533     56.03222     52.56071     52.29804     50.01311     46.91513 
    42.95792     40.67878     37.80924     36.41050     33.29770     28.78617 
    28.51605     26.67230     23.19932     21.04479     20.44231     16.70451 
    13.84606     12.23919     10.04005      8.51385      6.27856      3.64720 
overlap for current and previous eigenvector    109 is         0.9999998073
overlap for current and previous eigenvector    110 is         0.9999997112
overlap for current and previous eigenvector    111 is         0.9999997759
overlap for current and previous eigenvector    112 is         0.9999992181
overlap for current and previous eigenvector    113 is         0.9999990097
overlap for current and previous eigenvector    114 is         0.9999996314
J1,K1,R1,R2,RAT=   7   7   -0.5339834826E-02     2.005156778        0.9946601652    
FOB,PFOB,DIAG,PSTEP=   -0.7816225008E-05   -0.7774705565E-05     740.3943461        0.1050172422E-07
J1,K1,R1,R2,RAT=   8   8    0.6855496454E-02     1.993124822        0.9931248217    
FOB,PFOB,DIAG,PSTEP=   -0.7251822046E-05   -0.7301880555E-05     674.3923738        0.1082745401E-07
J1,K1,R1,R2,RAT=   9   9    0.1404515562E-01     1.985902982        0.9859029818    
FOB,PFOB,DIAG,PSTEP=   -0.2674163622E-05   -0.2712258705E-05     628.4159087        0.4316136816E-08
J1,K1,R1,R2,RAT=  10  10   -0.3038387730E-01     2.030444684        0.9696161227    
FOB,PFOB,DIAG,PSTEP=    0.3029958449E-05    0.2940613913E-05     602.7662977       -0.4878382422E-08
J1,K1,R1,R2,RAT=  11  11   -0.1728199603E-01     2.017311144        0.9827180040    
FOB,PFOB,DIAG,PSTEP=   -0.2106074771E-05   -0.2070296438E-05     587.2361684        0.3525440661E-08
J1,K1,R1,R2,RAT= 109 109    0.4897151051E-02     1.995016432        0.9950164320    
FOB,PFOB,DIAG,PSTEP=    0.7174294607E-04    0.7209602646E-04     13.84606053       -0.5207195331E-05
J1,K1,R1,R2,RAT= 110 110   -0.4759699777         217.5233302        0.5240300223    
FOB,PFOB,DIAG,PSTEP=   -0.1334067884E-01   -0.1328242395E-01     12.23919419        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.6716289462E-03     2.000443410        0.9993283711    
FOB,PFOB,DIAG,PSTEP=   -0.6385909675E-04   -0.6381623103E-04     10.04005489        0.6356888938E-05
J1,K1,R1,R2,RAT= 112 112   -0.7820808144         207.7995833        0.2179191856    
FOB,PFOB,DIAG,PSTEP=   -0.1766565532E-01   -0.1753317992E-01     8.513848646        0.1989562996E-04
J1,K1,R1,R2,RAT= 113 113   -0.8560747235         282.7840942        0.1439252765    
FOB,PFOB,DIAG,PSTEP=    0.3644160488E-01    0.3622163084E-01     6.278559020       -0.4092604470E-04
J1,K1,R1,R2,RAT= 114 114    0.9798324142        -1124.663678        0.2016758583E-01
FOB,PFOB,DIAG,PSTEP=    0.8210882816        0.8196588257         3.647195022        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00003     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002      0.00001     -0.00002      0.00003     -0.00001     -0.00003 
    -0.00004     -0.00002     -0.00002     -0.00004     -0.00002     -0.00001 
    -0.00002     -0.00001      0.00001      0.00003      0.00001     -0.00008 
    -0.00003     -0.00002     -0.00008     -0.00002      0.00004      0.00002 
     0.00001      0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00002     -0.00002      0.00005      0.00002      0.00001     -0.00005 
     0.00005      0.00006     -0.00001     -0.00006      0.00001      0.00001 
     0.00004     -0.00006      0.00012      0.00008      0.00002      0.00011 
    -0.00005     -0.00014     -0.00007      0.00006     -0.00004      0.00001 
     0.00007     -0.01334     -0.00006     -0.01767      0.03644      0.82109 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4042190396
 Log product of positive Hessian eigenvalues =          519.3708545866
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6471950216
 Unscaled step for mode    7=        0.0000000106
 Unscaled step for mode    8=        0.0000000108
 Unscaled step for mode    9=        0.0000000043
 Unscaled step for mode   10=       -0.0000000050
 Unscaled step for mode   11=        0.0000000036
 Unscaled step for mode   12=        0.0000000132
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000075
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000090
 Unscaled step for mode   18=       -0.0000000100
 Unscaled step for mode   19=        0.0000000473
 Unscaled step for mode   20=       -0.0000000102
 Unscaled step for mode   21=       -0.0000000118
 Unscaled step for mode   22=        0.0000000308
 Unscaled step for mode   23=       -0.0000000059
 Unscaled step for mode   24=        0.0000000177
 Unscaled step for mode   25=        0.0000000687
 Unscaled step for mode   26=        0.0000001090
 Unscaled step for mode   27=        0.0000000536
 Unscaled step for mode   28=       -0.0000000359
 Unscaled step for mode   29=       -0.0000000946
 Unscaled step for mode   30=        0.0000000771
 Unscaled step for mode   31=        0.0000000777
 Unscaled step for mode   32=        0.0000000393
 Unscaled step for mode   33=       -0.0000000550
 Unscaled step for mode   34=        0.0000000675
 Unscaled step for mode   35=       -0.0000000951
 Unscaled step for mode   36=       -0.0000000927
 Unscaled step for mode   37=       -0.0000000810
 Unscaled step for mode   38=       -0.0000000198
 Unscaled step for mode   39=        0.0000000914
 Unscaled step for mode   40=        0.0000001228
 Unscaled step for mode   41=        0.0000002071
 Unscaled step for mode   42=        0.0000000914
 Unscaled step for mode   43=        0.0000000942
 Unscaled step for mode   44=        0.0000001904
 Unscaled step for mode   45=       -0.0000000257
 Unscaled step for mode   46=       -0.0000001688
 Unscaled step for mode   47=        0.0000001336
 Unscaled step for mode   48=       -0.0000000342
 Unscaled step for mode   49=       -0.0000001606
 Unscaled step for mode   50=        0.0000000374
 Unscaled step for mode   51=        0.0000001009
 Unscaled step for mode   52=       -0.0000000441
 Unscaled step for mode   53=       -0.0000000886
 Unscaled step for mode   54=        0.0000001446
 Unscaled step for mode   55=        0.0000001431
 Unscaled step for mode   56=       -0.0000000477
 Unscaled step for mode   57=        0.0000001028
 Unscaled step for mode   58=       -0.0000001810
 Unscaled step for mode   59=        0.0000000474
 Unscaled step for mode   60=        0.0000001754
 Unscaled step for mode   61=        0.0000002620
 Unscaled step for mode   62=        0.0000001737
 Unscaled step for mode   63=        0.0000001298
 Unscaled step for mode   64=        0.0000003184
 Unscaled step for mode   65=        0.0000001897
 Unscaled step for mode   66=        0.0000000837
 Unscaled step for mode   67=        0.0000001329
 Unscaled step for mode   68=        0.0000000733
 Unscaled step for mode   69=       -0.0000000735
 Unscaled step for mode   70=       -0.0000002971
 Unscaled step for mode   71=       -0.0000000673
 Unscaled step for mode   72=        0.0000007760
 Unscaled step for mode   73=        0.0000002842
 Unscaled step for mode   74=        0.0000002250
 Unscaled step for mode   75=        0.0000008681
 Unscaled step for mode   76=        0.0000002645
 Unscaled step for mode   77=       -0.0000004546
 Unscaled step for mode   78=       -0.0000001682
 Unscaled step for mode   79=       -0.0000000728
 Unscaled step for mode   80=       -0.0000002393
 Unscaled step for mode   81=        0.0000003564
 Unscaled step for mode   82=        0.0000002224
 Unscaled step for mode   83=       -0.0000001775
 Unscaled step for mode   84=       -0.0000008066
 Unscaled step for mode   85=        0.0000003375
 Unscaled step for mode   86=        0.0000002980
 Unscaled step for mode   87=       -0.0000007153
 Unscaled step for mode   88=       -0.0000002708
 Unscaled step for mode   89=       -0.0000001323
 Unscaled step for mode   90=        0.0000008557
 Unscaled step for mode   91=       -0.0000009014
 Unscaled step for mode   92=       -0.0000010843
 Unscaled step for mode   93=        0.0000002565
 Unscaled step for mode   94=        0.0000010953
 Unscaled step for mode   95=       -0.0000001804
 Unscaled step for mode   96=       -0.0000001841
 Unscaled step for mode   97=       -0.0000009528
 Unscaled step for mode   98=        0.0000014038
 Unscaled step for mode   99=       -0.0000031241
 Unscaled step for mode  100=       -0.0000021707
 Unscaled step for mode  101=       -0.0000007089
 Unscaled step for mode  102=       -0.0000038682
 Unscaled step for mode  103=        0.0000016775
 Unscaled step for mode  104=        0.0000052426
 Unscaled step for mode  105=        0.0000031472
 Unscaled step for mode  106=       -0.0000029722
 Unscaled step for mode  107=        0.0000018886
 Unscaled step for mode  108=       -0.0000003811
 Unscaled step for mode  109=       -0.0000051815
 Unscaled step for mode  110=        0.0010899952
 Unscaled step for mode  111=        0.0000063604
 Unscaled step for mode  112=        0.0020749229
 Unscaled step for mode  113=       -0.0058039396
 Unscaled step for mode  114=        0.2147466400
 Largest modulus ratio of non-zero e/values=           203.0037719    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.552509E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.122537E-14    0.100683E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.757857E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.922574E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.290890E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.904916E-15    0.974076E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.781623E-05    0.740394E+03  0.105568E-07 0.100000E-04    0.994660E+00
   8   -0.725182E-05    0.674392E+03  0.107531E-07 0.100000E-04    0.993125E+00
   9   -0.267416E-05    0.628416E+03  0.425540E-08 0.100000E-04    0.985903E+00
  10    0.302996E-05    0.602766E+03 -0.502675E-08 0.100000E-04    0.969616E+00
  11   -0.210607E-05    0.587236E+03  0.358642E-08 0.100000E-04    0.982718E+00
  12   -0.759903E-05    0.576031E+03  0.131920E-07 0.100000E-04    0.989097E+00
  13   -0.350527E-05    0.566959E+03  0.618259E-08 0.100000E-04    0.989979E+00
  14    0.364109E-05    0.485789E+03 -0.749522E-08 0.100000E-04    0.995257E+00
  15    0.216312E-05    0.462529E+03 -0.467673E-08 0.100000E-04    0.995861E+00
  16    0.742198E-05    0.460624E+03 -0.161129E-07 0.100000E-04    0.992121E+00
  17    0.399025E-05    0.441663E+03 -0.903461E-08 0.100000E-04    0.977576E+00
  18    0.427619E-05    0.428964E+03 -0.996865E-08 0.100000E-04    0.993697E+00
  19   -0.199766E-04    0.422097E+03  0.473271E-07 0.100000E-04    0.995475E+00
  20    0.417135E-05    0.408537E+03 -0.102105E-07 0.100000E-04    0.992778E+00
  21    0.468637E-05    0.396847E+03 -0.118090E-07 0.100000E-04    0.993027E+00
  22   -0.119677E-04    0.388453E+03  0.308086E-07 0.100000E-04    0.997349E+00
  23    0.217060E-05    0.368934E+03 -0.588344E-08 0.100000E-04    0.947470E+00
  24   -0.639610E-05    0.360876E+03  0.177238E-07 0.100000E-04    0.997182E+00
  25   -0.240368E-04    0.350015E+03  0.686738E-07 0.100000E-04    0.997536E+00
  26   -0.365212E-04    0.335013E+03  0.109014E-06 0.100000E-04    0.997751E+00
  27   -0.175733E-04    0.327641E+03  0.536357E-07 0.100000E-04    0.999192E+00
  28    0.115503E-04    0.321677E+03 -0.359065E-07 0.100000E-04    0.998891E+00
  29    0.302283E-04    0.319637E+03 -0.945709E-07 0.100000E-04    0.991646E+00
  30   -0.239428E-04    0.310611E+03  0.770829E-07 0.100000E-04    0.992339E+00
  31   -0.234750E-04    0.302281E+03  0.776594E-07 0.100000E-04    0.997339E+00
  32   -0.113955E-04    0.289686E+03  0.393375E-07 0.100000E-04    0.998766E+00
  33    0.153158E-04    0.278364E+03 -0.550208E-07 0.100000E-04    0.991723E+00
  34   -0.183332E-04    0.271628E+03  0.674939E-07 0.100000E-04    0.992296E+00
  35    0.254673E-04    0.267748E+03 -0.951168E-07 0.100000E-04    0.995744E+00
  36    0.245478E-04    0.264721E+03 -0.927309E-07 0.100000E-04    0.998600E+00
  37    0.211824E-04    0.261641E+03 -0.809597E-07 0.100000E-04    0.998261E+00
  38    0.501999E-05    0.253787E+03 -0.197803E-07 0.100000E-04    0.991627E+00
  39   -0.220905E-04    0.241769E+03  0.913701E-07 0.100000E-04    0.997207E+00
  40   -0.294235E-04    0.239655E+03  0.122774E-06 0.100000E-04    0.995472E+00
  41   -0.484362E-04    0.233931E+03  0.207053E-06 0.100000E-04    0.999793E+00
  42   -0.208191E-04    0.227862E+03  0.913671E-07 0.100000E-04    0.996959E+00
  43   -0.205317E-04    0.217958E+03  0.942001E-07 0.100000E-04    0.994232E+00
  44   -0.408407E-04    0.214548E+03  0.190357E-06 0.100000E-04    0.999371E+00
  45    0.546411E-05    0.213014E+03 -0.256514E-07 0.100000E-04    0.958197E+00
  46    0.349683E-04    0.207209E+03 -0.168758E-06 0.100000E-04    0.999356E+00
  47   -0.271869E-04    0.203457E+03  0.133625E-06 0.100000E-04    0.994506E+00
  48    0.672090E-05    0.196557E+03 -0.341932E-07 0.100000E-04    0.982290E+00
  49    0.313066E-04    0.194884E+03 -0.160642E-06 0.100000E-04    0.996603E+00
  50   -0.715830E-05    0.191347E+03  0.374101E-07 0.100000E-04    0.942603E+00
  51   -0.184855E-04    0.183256E+03  0.100873E-06 0.100000E-04    0.998170E+00
  52    0.767949E-05    0.174164E+03 -0.440934E-07 0.100000E-04    0.992060E+00
  53    0.152608E-04    0.172304E+03 -0.885691E-07 0.100000E-04    0.995310E+00
  54   -0.242649E-04    0.167796E+03  0.144609E-06 0.100000E-04    0.999762E+00
  55   -0.234857E-04    0.164102E+03  0.143116E-06 0.100000E-04    0.999466E+00
  56    0.751937E-05    0.157785E+03 -0.476557E-07 0.100000E-04    0.997262E+00
  57   -0.158847E-04    0.154492E+03  0.102819E-06 0.100000E-04    0.991298E+00
  58    0.275084E-04    0.151952E+03 -0.181033E-06 0.100000E-04    0.999823E+00
  59   -0.699233E-05    0.147637E+03  0.473615E-07 0.100000E-04    0.987780E+00
  60   -0.251660E-04    0.143482E+03  0.175395E-06 0.100000E-04    0.999202E+00
  61   -0.360322E-04    0.137521E+03  0.262012E-06 0.100000E-04    0.989310E+00
  62   -0.236123E-04    0.135936E+03  0.173702E-06 0.100000E-04    0.997261E+00
  63   -0.169461E-04    0.130511E+03  0.129844E-06 0.100000E-04    0.985384E+00
  64   -0.409287E-04    0.128527E+03  0.318443E-06 0.100000E-04    0.995455E+00
  65   -0.240041E-04    0.126523E+03  0.189722E-06 0.100000E-04    0.988648E+00
  66   -0.104682E-04    0.125037E+03  0.837207E-07 0.100000E-04    0.998196E+00
  67   -0.159343E-04    0.119907E+03  0.132889E-06 0.100000E-04    0.993987E+00
  68   -0.865564E-05    0.118143E+03  0.732639E-07 0.100000E-04    0.996179E+00
  69    0.860768E-05    0.117113E+03 -0.734988E-07 0.100000E-04    0.982426E+00
  70    0.328259E-04    0.110496E+03 -0.297077E-06 0.100000E-04    0.992904E+00
  71    0.722121E-05    0.107219E+03 -0.673499E-07 0.100000E-04    0.992288E+00
  72   -0.810798E-04    0.104483E+03  0.776008E-06 0.100000E-04    0.994870E+00
  73   -0.292753E-04    0.103015E+03  0.284186E-06 0.100000E-04    0.999256E+00
  74   -0.224284E-04    0.996756E+02  0.225014E-06 0.100000E-04    0.996342E+00
  75   -0.832077E-04    0.958463E+02  0.868137E-06 0.100000E-04    0.999364E+00
  76   -0.248629E-04    0.940071E+02  0.264479E-06 0.100000E-04    0.988362E+00
  77    0.424361E-04    0.933426E+02 -0.454628E-06 0.100000E-04    0.989515E+00
  78    0.152919E-04    0.909007E+02 -0.168227E-06 0.100000E-04    0.997487E+00
  79    0.648919E-05    0.890958E+02 -0.728339E-07 0.100000E-04    0.995362E+00
  80    0.204167E-04    0.853032E+02 -0.239343E-06 0.100000E-04    0.993833E+00
  81   -0.288206E-04    0.808694E+02  0.356384E-06 0.100000E-04    0.999222E+00
  82   -0.178006E-04    0.800541E+02  0.222357E-06 0.100000E-04    0.993892E+00
  83    0.138722E-04    0.781609E+02 -0.177482E-06 0.100000E-04    0.983141E+00
  84    0.589656E-04    0.731009E+02 -0.806634E-06 0.100000E-04    0.990117E+00
  85   -0.245244E-04    0.726651E+02  0.337499E-06 0.100000E-04    0.993206E+00
  86   -0.203210E-04    0.681850E+02  0.298028E-06 0.100000E-04    0.986786E+00
  87    0.467903E-04    0.654092E+02 -0.715347E-06 0.100000E-04    0.993398E+00
  88    0.169100E-04    0.624383E+02 -0.270827E-06 0.100000E-04    0.991168E+00
  89    0.793296E-05    0.599678E+02 -0.132287E-06 0.100000E-04    0.957004E+00
  90   -0.508262E-04    0.593952E+02  0.855728E-06 0.100000E-04    0.995905E+00
  91    0.529874E-04    0.587853E+02 -0.901370E-06 0.100000E-04    0.982799E+00
  92    0.607570E-04    0.560322E+02 -0.108432E-05 0.100000E-04    0.993174E+00
  93   -0.134812E-04    0.525607E+02  0.256488E-06 0.100000E-04    0.973820E+00
  94   -0.572830E-04    0.522980E+02  0.109532E-05 0.100000E-04    0.996727E+00
  95    0.902185E-05    0.500131E+02 -0.180390E-06 0.100000E-04    0.956279E+00
  96    0.863721E-05    0.469151E+02 -0.184103E-06 0.100000E-04    0.942880E+00
  97    0.409316E-04    0.429579E+02 -0.952829E-06 0.100000E-04    0.978331E+00
  98   -0.571062E-04    0.406788E+02  0.140383E-05 0.100000E-04    0.992195E+00
  99    0.118120E-03    0.378092E+02 -0.312411E-05 0.100000E-04    0.994021E+00
 100    0.790369E-04    0.364105E+02 -0.217072E-05 0.100000E-04    0.999027E+00
 101    0.236050E-04    0.332977E+02 -0.708908E-06 0.100000E-04    0.950526E+00
 102    0.111351E-03    0.287862E+02 -0.386820E-05 0.100000E-04    0.993957E+00
 103   -0.478352E-04    0.285160E+02  0.167748E-05 0.100000E-04    0.999363E+00
 104   -0.139831E-03    0.266723E+02  0.524256E-05 0.100000E-04    0.990992E+00
 105   -0.730121E-04    0.231993E+02  0.314717E-05 0.100000E-04    0.992509E+00
 106    0.625483E-04    0.210448E+02 -0.297215E-05 0.100000E-04    0.983928E+00
 107   -0.386078E-04    0.204423E+02  0.188862E-05 0.100000E-04    0.909522E+00
 108    0.636659E-05    0.167045E+02 -0.381130E-06 0.100000E-04    0.427259E+00
 109    0.717429E-04    0.138461E+02 -0.518147E-05 0.100000E-04    0.995016E+00
 110   -0.133407E-01    0.122392E+02  0.100000E-04 0.100000E-04    0.524030E+00
 111   -0.638591E-04    0.100401E+02  0.636043E-05 0.100000E-04    0.999328E+00
 112   -0.176657E-01    0.851385E+01  0.179240E-04 0.179240E-04    0.217919E+00
 113    0.364416E-01    0.627856E+01 -0.446094E-04 0.446094E-04    0.143925E+00
 114    0.821088E+00    0.364720E+01  0.400000E-03 0.400000E-03    0.201676E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2147466400    

 Beginning of optimization cycle  438.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3245717100
 potential> RMS force:                                               0.0771402706   |gradient|=.8236327051    
 Eigenvalues of the Hessian matrix:
   740.46232    674.39858    628.43232    602.74818    587.22742    576.07203 
   566.95352    485.81569    462.50601    460.61694    441.66681    428.95883 
   422.09763    408.53882    396.84236    388.44639    368.94633    360.86844 
   350.00674    335.01015    327.66004    321.68156    319.62386    310.59750 
   302.26265    289.69755    278.36207    271.64008    267.75568    264.72270 
   261.66516    253.78236    241.76439    239.66821    233.92430    227.85426 
   217.93844    214.55407    213.02026    207.21170    203.45337    196.54564 
   194.88086    191.34490    183.24671    174.15901    172.30567    167.79977 
   164.09235    157.77323    154.49588    151.95803    147.62674    143.48342 
   137.52588    135.93525    130.50992    128.53124    126.52724    125.03013 
   119.90785    118.14360    117.11313    110.49256    107.21486    104.48090 
   103.01272     99.67464     95.84941     94.01330     93.32512     90.90403 
    89.08904     85.30615     80.86864     80.05670     78.15943     73.10499 
    72.66807     68.18359     65.40101     62.42685     59.96830     59.39415 
    58.77810     56.03151     52.55984     52.29688     50.01320     46.90780 
    42.96023     40.68164     37.81184     36.41189     33.28503     28.78616 
    28.51481     26.66517     23.20125     21.04818     20.43506     16.70263 
    13.84665     12.23917     10.04121      8.51279      6.26981      3.64137 
overlap for current and previous eigenvector    109 is         0.9999998024
overlap for current and previous eigenvector    110 is         0.9999997087
overlap for current and previous eigenvector    111 is         0.9999997666
overlap for current and previous eigenvector    112 is         0.9999992353
overlap for current and previous eigenvector    113 is         0.9999990194
overlap for current and previous eigenvector    114 is         0.9999996174
J1,K1,R1,R2,RAT=   7   7   -0.3844124559E-02     2.003660525        0.9961558754    
FOB,PFOB,DIAG,PSTEP=   -0.7846274309E-05   -0.7816225008E-05     740.4623202        0.1055684049E-07
J1,K1,R1,R2,RAT=   8   8   -0.1153949781E-01     2.011521104        0.9884605022    
FOB,PFOB,DIAG,PSTEP=   -0.7335505200E-05   -0.7251822046E-05     674.3985760        0.1075311989E-07
J1,K1,R1,R2,RAT=   9   9   -0.2517761649E-01     2.025125392        0.9748223835    
FOB,PFOB,DIAG,PSTEP=   -0.2741494446E-05   -0.2674163622E-05     628.4323186        0.4255404080E-08
J1,K1,R1,R2,RAT=  10  10    0.1864905491E-01     1.981411074        0.9813509451    
FOB,PFOB,DIAG,PSTEP=    0.2973454286E-05    0.3029958449E-05     602.7481763       -0.5026754914E-08
J1,K1,R1,R2,RAT=  11  11   -0.3253013299E-02     2.003282802        0.9967469867    
FOB,PFOB,DIAG,PSTEP=   -0.2112925758E-05   -0.2106074771E-05     587.2274222        0.3586418692E-08
J1,K1,R1,R2,RAT= 109 109    0.1621001965E-02     1.998293203        0.9982932033    
FOB,PFOB,DIAG,PSTEP=    0.7162664562E-04    0.7174294607E-04     13.84665452       -0.5181469914E-05
J1,K1,R1,R2,RAT= 110 110   -0.4510469334         218.4507836        0.5489530666    
FOB,PFOB,DIAG,PSTEP=   -0.1339588324E-01   -0.1334067884E-01     12.23916969        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.6403550163E-02     1.993366748        0.9933667475    
FOB,PFOB,DIAG,PSTEP=   -0.6345012485E-04   -0.6385909675E-04     10.04120814        0.6360433028E-05
J1,K1,R1,R2,RAT= 112 112    -1.006150966         232.5606851        0.6150965608E-02
FOB,PFOB,DIAG,PSTEP=   -0.1781917697E-01   -0.1766565532E-01     8.512786524        0.1792399096E-04
J1,K1,R1,R2,RAT= 113 113   -0.7775463877         261.3608261        0.2224536123    
FOB,PFOB,DIAG,PSTEP=    0.3665907884E-01    0.3644160488E-01     6.269814223       -0.4460938872E-04
J1,K1,R1,R2,RAT= 114 114    0.9790621669        -1128.423546        0.2093783306E-01
FOB,PFOB,DIAG,PSTEP=    0.8225143323        0.8210882816         3.641369014        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002      0.00001      0.00002     -0.00002 
    -0.00002      0.00001     -0.00002      0.00003     -0.00001     -0.00003 
     0.00004     -0.00002     -0.00002     -0.00004     -0.00002     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00003     -0.00001      0.00008 
     0.00003     -0.00002     -0.00008      0.00002      0.00004     -0.00002 
     0.00001     -0.00002      0.00003      0.00002     -0.00001     -0.00006 
     0.00002     -0.00002      0.00005      0.00002      0.00001     -0.00005 
     0.00005      0.00006     -0.00001     -0.00006      0.00001      0.00001 
     0.00004     -0.00006      0.00012      0.00008     -0.00002      0.00011 
    -0.00005     -0.00014     -0.00007      0.00006     -0.00004      0.00000 
     0.00007     -0.01340     -0.00006     -0.01782      0.03666      0.82251 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4039709618
 Log product of positive Hessian eigenvalues =          519.3663489384
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6413690138
 Unscaled step for mode    7=        0.0000000106
 Unscaled step for mode    8=        0.0000000109
 Unscaled step for mode    9=        0.0000000044
 Unscaled step for mode   10=       -0.0000000049
 Unscaled step for mode   11=        0.0000000036
 Unscaled step for mode   12=        0.0000000134
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000077
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000088
 Unscaled step for mode   18=       -0.0000000099
 Unscaled step for mode   19=        0.0000000473
 Unscaled step for mode   20=       -0.0000000100
 Unscaled step for mode   21=       -0.0000000116
 Unscaled step for mode   22=        0.0000000309
 Unscaled step for mode   23=       -0.0000000062
 Unscaled step for mode   24=        0.0000000179
 Unscaled step for mode   25=        0.0000000688
 Unscaled step for mode   26=        0.0000001089
 Unscaled step for mode   27=        0.0000000537
 Unscaled step for mode   28=       -0.0000000357
 Unscaled step for mode   29=       -0.0000000948
 Unscaled step for mode   30=        0.0000000773
 Unscaled step for mode   31=        0.0000000783
 Unscaled step for mode   32=        0.0000000395
 Unscaled step for mode   33=       -0.0000000547
 Unscaled step for mode   34=        0.0000000676
 Unscaled step for mode   35=       -0.0000000955
 Unscaled step for mode   36=       -0.0000000931
 Unscaled step for mode   37=       -0.0000000808
 Unscaled step for mode   38=       -0.0000000200
 Unscaled step for mode   39=        0.0000000913
 Unscaled step for mode   40=        0.0000001235
 Unscaled step for mode   41=        0.0000002075
 Unscaled step for mode   42=        0.0000000921
 Unscaled step for mode   43=        0.0000000947
 Unscaled step for mode   44=        0.0000001916
 Unscaled step for mode   45=       -0.0000000257
 Unscaled step for mode   46=       -0.0000001693
 Unscaled step for mode   47=        0.0000001337
 Unscaled step for mode   48=       -0.0000000338
 Unscaled step for mode   49=       -0.0000001615
 Unscaled step for mode   50=        0.0000000355
 Unscaled step for mode   51=        0.0000001012
 Unscaled step for mode   52=       -0.0000000445
 Unscaled step for mode   53=       -0.0000000884
 Unscaled step for mode   54=        0.0000001454
 Unscaled step for mode   55=        0.0000001434
 Unscaled step for mode   56=       -0.0000000474
 Unscaled step for mode   57=        0.0000001029
 Unscaled step for mode   58=       -0.0000001812
 Unscaled step for mode   59=        0.0000000473
 Unscaled step for mode   60=        0.0000001756
 Unscaled step for mode   61=       -0.0000002604
 Unscaled step for mode   62=        0.0000001732
 Unscaled step for mode   63=        0.0000001269
 Unscaled step for mode   64=        0.0000003191
 Unscaled step for mode   65=        0.0000001880
 Unscaled step for mode   66=        0.0000000822
 Unscaled step for mode   67=        0.0000001347
 Unscaled step for mode   68=        0.0000000729
 Unscaled step for mode   69=       -0.0000000729
 Unscaled step for mode   70=        0.0000002996
 Unscaled step for mode   71=        0.0000000675
 Unscaled step for mode   72=       -0.0000007761
 Unscaled step for mode   73=       -0.0000002834
 Unscaled step for mode   74=        0.0000002227
 Unscaled step for mode   75=        0.0000008672
 Unscaled step for mode   76=       -0.0000002583
 Unscaled step for mode   77=       -0.0000004570
 Unscaled step for mode   78=        0.0000001717
 Unscaled step for mode   79=       -0.0000000717
 Unscaled step for mode   80=        0.0000002399
 Unscaled step for mode   81=       -0.0000003575
 Unscaled step for mode   82=       -0.0000002263
 Unscaled step for mode   83=        0.0000001800
 Unscaled step for mode   84=        0.0000008033
 Unscaled step for mode   85=       -0.0000003284
 Unscaled step for mode   86=        0.0000002984
 Unscaled step for mode   87=       -0.0000007145
 Unscaled step for mode   88=       -0.0000002708
 Unscaled step for mode   89=       -0.0000001391
 Unscaled step for mode   90=        0.0000008509
 Unscaled step for mode   91=       -0.0000009023
 Unscaled step for mode   92=       -0.0000010898
 Unscaled step for mode   93=        0.0000002675
 Unscaled step for mode   94=        0.0000010903
 Unscaled step for mode   95=       -0.0000001678
 Unscaled step for mode   96=       -0.0000001856
 Unscaled step for mode   97=       -0.0000009358
 Unscaled step for mode   98=        0.0000013994
 Unscaled step for mode   99=       -0.0000031033
 Unscaled step for mode  100=       -0.0000021699
 Unscaled step for mode  101=        0.0000006811
 Unscaled step for mode  102=       -0.0000038588
 Unscaled step for mode  103=        0.0000016864
 Unscaled step for mode  104=        0.0000052303
 Unscaled step for mode  105=        0.0000031523
 Unscaled step for mode  106=       -0.0000029456
 Unscaled step for mode  107=        0.0000020124
 Unscaled step for mode  108=       -0.0000002795
 Unscaled step for mode  109=       -0.0000051728
 Unscaled step for mode  110=        0.0010945078
 Unscaled step for mode  111=        0.0000063190
 Unscaled step for mode  112=        0.0020932158
 Unscaled step for mode  113=       -0.0058467164
 Unscaled step for mode  114=        0.2154002797
 Largest modulus ratio of non-zero e/values=           203.3472349    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.524754E-16    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.105872E-14    0.100683E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.505297E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.232670E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.122379E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.621695E-15    0.974077E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.784627E-05    0.740462E+03  0.105965E-07 0.100000E-04    0.996156E+00
   8   -0.733551E-05    0.674399E+03  0.108771E-07 0.100000E-04    0.988461E+00
   9   -0.274149E-05    0.628432E+03  0.436243E-08 0.100000E-04    0.974822E+00
  10    0.297345E-05    0.602748E+03 -0.493316E-08 0.100000E-04    0.981351E+00
  11   -0.211293E-05    0.587227E+03  0.359814E-08 0.100000E-04    0.996747E+00
  12   -0.773808E-05    0.576072E+03  0.134325E-07 0.100000E-04    0.981703E+00
  13   -0.354595E-05    0.566954E+03  0.625440E-08 0.100000E-04    0.988395E+00
  14    0.373979E-05    0.485816E+03 -0.769797E-08 0.100000E-04    0.972894E+00
  15    0.219666E-05    0.462506E+03 -0.474948E-08 0.100000E-04    0.984494E+00
  16    0.738471E-05    0.460617E+03 -0.160322E-07 0.100000E-04    0.994979E+00
  17    0.390410E-05    0.441667E+03 -0.883946E-08 0.100000E-04    0.978392E+00
  18    0.426603E-05    0.428959E+03 -0.994509E-08 0.100000E-04    0.997625E+00
  19   -0.199658E-04    0.422098E+03  0.473013E-07 0.100000E-04    0.999454E+00
  20    0.410450E-05    0.408539E+03 -0.100468E-07 0.100000E-04    0.983963E+00
  21    0.461415E-05    0.396842E+03 -0.116272E-07 0.100000E-04    0.984590E+00
  22   -0.119917E-04    0.388446E+03  0.308708E-07 0.100000E-04    0.997996E+00
  23    0.227436E-05    0.368946E+03 -0.616448E-08 0.100000E-04    0.952199E+00
  24   -0.645034E-05    0.360868E+03  0.178745E-07 0.100000E-04    0.991519E+00
  25   -0.240645E-04    0.350007E+03  0.687545E-07 0.100000E-04    0.998849E+00
  26   -0.364831E-04    0.335010E+03  0.108901E-06 0.100000E-04    0.998956E+00
  27   -0.175802E-04    0.327660E+03  0.536539E-07 0.100000E-04    0.999603E+00
  28    0.114968E-04    0.321682E+03 -0.357396E-07 0.100000E-04    0.995337E+00
  29    0.302937E-04    0.319624E+03 -0.947791E-07 0.100000E-04    0.997838E+00
  30   -0.240193E-04    0.310598E+03  0.773325E-07 0.100000E-04    0.996806E+00
  31   -0.236601E-04    0.302263E+03  0.782766E-07 0.100000E-04    0.992113E+00
  32   -0.114470E-04    0.289698E+03  0.395136E-07 0.100000E-04    0.995483E+00
  33    0.152399E-04    0.278362E+03 -0.547486E-07 0.100000E-04    0.995046E+00
  34   -0.183522E-04    0.271640E+03  0.675607E-07 0.100000E-04    0.998965E+00
  35    0.255694E-04    0.267756E+03 -0.954952E-07 0.100000E-04    0.995993E+00
  36    0.246565E-04    0.264723E+03 -0.931410E-07 0.100000E-04    0.995571E+00
  37    0.211549E-04    0.261665E+03 -0.808472E-07 0.100000E-04    0.998518E+00
  38    0.508125E-05    0.253782E+03 -0.200221E-07 0.100000E-04    0.987797E+00
  39   -0.220675E-04    0.241764E+03  0.912768E-07 0.100000E-04    0.998958E+00
  40   -0.295953E-04    0.239668E+03  0.123484E-06 0.100000E-04    0.994163E+00
  41   -0.485342E-04    0.233924E+03  0.207478E-06 0.100000E-04    0.997975E+00
  42   -0.209817E-04    0.227854E+03  0.920839E-07 0.100000E-04    0.992189E+00
  43   -0.206287E-04    0.217938E+03  0.946539E-07 0.100000E-04    0.995272E+00
  44   -0.411171E-04    0.214554E+03  0.191640E-06 0.100000E-04    0.993232E+00
  45    0.548439E-05    0.213020E+03 -0.257459E-07 0.100000E-04    0.996288E+00
  46    0.350867E-04    0.207212E+03 -0.169328E-06 0.100000E-04    0.996613E+00
  47   -0.271997E-04    0.203453E+03  0.133690E-06 0.100000E-04    0.999533E+00
  48    0.664557E-05    0.196546E+03 -0.338119E-07 0.100000E-04    0.988792E+00
  49    0.314812E-04    0.194881E+03 -0.161541E-06 0.100000E-04    0.994422E+00
  50   -0.679441E-05    0.191345E+03  0.355087E-07 0.100000E-04    0.949166E+00
  51   -0.185381E-04    0.183247E+03  0.101165E-06 0.100000E-04    0.997157E+00
  52    0.774218E-05    0.174159E+03 -0.444547E-07 0.100000E-04    0.991836E+00
  53    0.152366E-04    0.172306E+03 -0.884277E-07 0.100000E-04    0.998393E+00
  54   -0.243902E-04    0.167800E+03  0.145353E-06 0.100000E-04    0.994835E+00
  55   -0.235261E-04    0.164092E+03  0.143371E-06 0.100000E-04    0.998279E+00
  56    0.748633E-05    0.157773E+03 -0.474499E-07 0.100000E-04    0.995605E+00
  57   -0.158937E-04    0.154496E+03  0.102875E-06 0.100000E-04    0.999434E+00
  58    0.275412E-04    0.151958E+03 -0.181242E-06 0.100000E-04    0.998808E+00
  59   -0.698437E-05    0.147627E+03  0.473110E-07 0.100000E-04    0.998862E+00
  60   -0.251927E-04    0.143483E+03  0.175579E-06 0.100000E-04    0.998941E+00
  61    0.358101E-04    0.137526E+03 -0.260388E-06 0.100000E-04    0.993765E+00
  62   -0.235490E-04    0.135935E+03  0.173237E-06 0.100000E-04    0.997317E+00
  63   -0.165654E-04    0.130510E+03  0.126928E-06 0.100000E-04    0.977536E+00
  64   -0.410115E-04    0.128531E+03  0.319078E-06 0.100000E-04    0.997976E+00
  65   -0.237882E-04    0.126527E+03  0.188009E-06 0.100000E-04    0.990935E+00
  66   -0.102726E-04    0.125030E+03  0.821608E-07 0.100000E-04    0.981313E+00
  67   -0.161566E-04    0.119908E+03  0.134742E-06 0.100000E-04    0.986045E+00
  68   -0.861277E-05    0.118144E+03  0.729009E-07 0.100000E-04    0.995042E+00
  69    0.853797E-05    0.117113E+03 -0.729036E-07 0.100000E-04    0.991901E+00
  70   -0.330984E-04    0.110493E+03  0.299553E-06 0.100000E-04    0.991698E+00
  71   -0.723920E-05    0.107215E+03  0.675205E-07 0.100000E-04    0.997508E+00
  72    0.810834E-04    0.104481E+03 -0.776060E-06 0.100000E-04    0.999955E+00
  73    0.291934E-04    0.103013E+03 -0.283396E-06 0.100000E-04    0.997202E+00
  74   -0.221970E-04    0.996746E+02  0.222695E-06 0.100000E-04    0.989683E+00
  75   -0.831194E-04    0.958494E+02  0.867187E-06 0.100000E-04    0.998874E+00
  76    0.242839E-04    0.940133E+02 -0.258303E-06 0.100000E-04    0.976583E+00
  77    0.426506E-04    0.933251E+02 -0.457011E-06 0.100000E-04    0.994945E+00
  78   -0.156085E-04    0.909040E+02  0.171703E-06 0.100000E-04    0.979303E+00
  79    0.638564E-05    0.890890E+02 -0.716771E-07 0.100000E-04    0.984042E+00
  80   -0.204668E-04    0.853061E+02  0.239921E-06 0.100000E-04    0.997549E+00
  81    0.289130E-04    0.808686E+02 -0.357530E-06 0.100000E-04    0.996794E+00
  82    0.181204E-04    0.800567E+02 -0.226345E-06 0.100000E-04    0.982035E+00
  83   -0.140657E-04    0.781594E+02  0.179962E-06 0.100000E-04    0.986048E+00
  84   -0.587217E-04    0.731050E+02  0.803252E-06 0.100000E-04    0.995751E+00
  85    0.238620E-04    0.726681E+02 -0.328369E-06 0.100000E-04    0.972908E+00
  86   -0.203459E-04    0.681836E+02  0.298399E-06 0.100000E-04    0.998775E+00
  87    0.467322E-04    0.654010E+02 -0.714548E-06 0.100000E-04    0.998758E+00
  88    0.169083E-04    0.624268E+02 -0.270849E-06 0.100000E-04    0.999900E+00
  89    0.833960E-05    0.599683E+02 -0.139067E-06 0.100000E-04    0.948742E+00
  90   -0.505384E-04    0.593941E+02  0.850899E-06 0.100000E-04    0.994338E+00
  91    0.530373E-04    0.587781E+02 -0.902330E-06 0.100000E-04    0.999058E+00
  92    0.610615E-04    0.560315E+02 -0.108977E-05 0.100000E-04    0.994988E+00
  93   -0.140599E-04    0.525598E+02  0.267503E-06 0.100000E-04    0.957073E+00
  94   -0.570213E-04    0.522969E+02  0.109034E-05 0.100000E-04    0.995430E+00
  95    0.839057E-05    0.500132E+02 -0.167767E-06 0.100000E-04    0.930023E+00
  96    0.870427E-05    0.469078E+02 -0.185561E-06 0.100000E-04    0.992234E+00
  97    0.402030E-04    0.429602E+02 -0.935819E-06 0.100000E-04    0.982094E+00
  98   -0.569298E-04    0.406816E+02  0.139940E-05 0.100000E-04    0.996771E+00
  99    0.117341E-03    0.378118E+02 -0.310330E-05 0.100000E-04    0.993268E+00
 100    0.790102E-04    0.364119E+02 -0.216990E-05 0.100000E-04    0.999586E+00
 101   -0.226699E-04    0.332850E+02  0.681084E-06 0.100000E-04    0.960371E+00
 102    0.111081E-03    0.287862E+02 -0.385884E-05 0.100000E-04    0.997581E+00
 103   -0.480863E-04    0.285148E+02  0.168636E-05 0.100000E-04    0.994749E+00
 104   -0.139466E-03    0.266652E+02  0.523026E-05 0.100000E-04    0.997385E+00
 105   -0.731381E-04    0.232013E+02  0.315233E-05 0.100000E-04    0.998274E+00
 106    0.619996E-04    0.210482E+02 -0.294560E-05 0.100000E-04    0.990907E+00
 107   -0.411229E-04    0.204351E+02  0.201237E-05 0.100000E-04    0.934830E+00
 108    0.466783E-05    0.167026E+02 -0.279467E-06 0.100000E-04    0.733146E+00
 109    0.716266E-04    0.138467E+02 -0.517285E-05 0.100000E-04    0.998293E+00
 110   -0.133959E-01    0.122392E+02  0.100000E-04 0.100000E-04    0.548953E+00
 111   -0.634501E-04    0.100412E+02  0.631897E-05 0.100000E-04    0.993367E+00
 112   -0.178192E-01    0.851279E+01  0.195372E-04 0.195372E-04    0.615097E-02
 113    0.366591E-01    0.626981E+01 -0.401886E-04 0.401886E-04    0.222454E+00
 114    0.822514E+00    0.364137E+01  0.400000E-03 0.400000E-03    0.209378E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2154002797    

 Beginning of optimization cycle  439.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3242443631
 potential> RMS force:                                               0.0772748123   |gradient|=.8250692178    
 Eigenvalues of the Hessian matrix:
   740.53009    674.40522    628.44858    602.72976    587.21897    576.11266 
   566.94823    485.84286    462.48311    460.61037    441.67058    428.95359 
   422.09813    408.54102    396.83770    388.43997    368.95847    360.86130 
   349.99854    335.00730    327.67848    321.68621    319.61060    310.58402 
   302.24382    289.70874    278.36002    271.65223    267.76328    264.72437 
   261.68911    253.77772    241.75929    239.68098    233.91742    227.84640 
   217.91891    214.56029    213.02665    207.21400    203.45010    196.53460 
   194.87724    191.34320    183.23779    174.15398    172.30742    167.80339 
   164.08245    157.76126    154.50014    151.96368    147.61641    143.48492 
   137.53075    135.93483    130.50872    128.53502    126.53180    125.02325 
   119.90901    118.14396    117.11313    110.48867    107.21055    104.47880 
   103.01077     99.67377     95.85268     94.01943     93.30764     90.90728 
    89.08235     85.30902     80.86793     80.05915     78.15795     73.10922 
    72.67120     68.18236     65.39296     62.41532     59.96876     59.39320 
    58.77093     56.03088     52.55907     52.29580     50.01327     46.90056 
    42.96250     40.68453     37.81452     36.41352     33.27243     28.78616 
    28.51357     26.65805     23.20313     21.05173     20.42770     16.70076 
    13.84725     12.23915     10.04235      8.51163      6.26107      3.63554 
overlap for current and previous eigenvector    109 is        -0.9999998076
overlap for current and previous eigenvector    110 is         0.9999997135
overlap for current and previous eigenvector    111 is        -0.9999997789
overlap for current and previous eigenvector    112 is        -0.9999992407
overlap for current and previous eigenvector    113 is         0.9999990316
overlap for current and previous eigenvector    114 is        -0.9999996379
J1,K1,R1,R2,RAT=   7   7   -0.5300331646E-02     2.005117312        0.9946996684    
FOB,PFOB,DIAG,PSTEP=   -0.7887865971E-05   -0.7846274309E-05     740.5300860        0.1059645318E-07
J1,K1,R1,R2,RAT=   8   8    0.6685560528E-02     1.993294734        0.9932947344    
FOB,PFOB,DIAG,PSTEP=   -0.7286462753E-05   -0.7335505200E-05     674.4052206        0.1087710660E-07
J1,K1,R1,R2,RAT=   9   9    0.1382375510E-01     1.986124501        0.9861245013    
FOB,PFOB,DIAG,PSTEP=   -0.2703595718E-05   -0.2741494446E-05     628.4485777        0.4362433893E-08
J1,K1,R1,R2,RAT=  10  10   -0.2969267288E-01     2.029753782        0.9703073271    
FOB,PFOB,DIAG,PSTEP=    0.3061741394E-05    0.2973454286E-05     602.7297602       -0.4933161813E-08
J1,K1,R1,R2,RAT=  11  11   -0.1695613435E-01     2.016984929        0.9830438656    
FOB,PFOB,DIAG,PSTEP=   -0.2148752296E-05   -0.2112925758E-05     587.2189677        0.3598138777E-08
J1,K1,R1,R2,RAT= 109 109     1.995026790        0.4887147394E-02    0.9950267904    
FOB,PFOB,DIAG,PSTEP=   -0.7127658059E-04    0.7162664562E-04     13.84725038       -0.5172848469E-05
J1,K1,R1,R2,RAT= 110 110   -0.4796761530         219.3818352        0.5203238470    
FOB,PFOB,DIAG,PSTEP=   -0.1345459153E-01   -0.1339588324E-01     12.23915132        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.000363839       -0.5907469154E-03    0.9994092531    
FOB,PFOB,DIAG,PSTEP=    0.6348761207E-04   -0.6345012485E-04     10.04234748        0.6318973172E-05
J1,K1,R1,R2,RAT= 112 112     215.1140488       -0.8034812101        0.1965187899    
FOB,PFOB,DIAG,PSTEP=    0.1795279029E-01   -0.1781917697E-01     8.511631950        0.1953715014E-04
J1,K1,R1,R2,RAT= 113 113   -0.8756723098         292.2557252        0.1243276902    
FOB,PFOB,DIAG,PSTEP=    0.3687941884E-01    0.3665907884E-01     6.261068169       -0.4018863849E-04
J1,K1,R1,R2,RAT= 114 114    -1132.192606        0.9797521954        0.2024780462E-01
FOB,PFOB,DIAG,PSTEP=   -0.8239391043        0.8225143323         3.635541843        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00002      0.00003     -0.00001     -0.00003 
     0.00004     -0.00002      0.00002      0.00004      0.00002      0.00001 
    -0.00002     -0.00001      0.00001     -0.00003      0.00001      0.00008 
     0.00003     -0.00002     -0.00008     -0.00002      0.00004     -0.00002 
     0.00001     -0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00002     -0.00002      0.00005      0.00002      0.00001     -0.00005 
     0.00005      0.00006     -0.00001     -0.00006      0.00001      0.00001 
    -0.00004      0.00006      0.00012      0.00008     -0.00002      0.00011 
    -0.00005     -0.00014     -0.00007      0.00006     -0.00004      0.00001 
    -0.00007     -0.01345      0.00006      0.01795      0.03688     -0.82394 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4037145474
 Log product of positive Hessian eigenvalues =          519.3618466704
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6355418428
 Unscaled step for mode    7=        0.0000000107
 Unscaled step for mode    8=        0.0000000108
 Unscaled step for mode    9=        0.0000000043
 Unscaled step for mode   10=       -0.0000000051
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000133
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000077
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000162
 Unscaled step for mode   17=       -0.0000000090
 Unscaled step for mode   18=       -0.0000000100
 Unscaled step for mode   19=        0.0000000475
 Unscaled step for mode   20=       -0.0000000101
 Unscaled step for mode   21=       -0.0000000117
 Unscaled step for mode   22=        0.0000000310
 Unscaled step for mode   23=       -0.0000000058
 Unscaled step for mode   24=        0.0000000179
 Unscaled step for mode   25=        0.0000000689
 Unscaled step for mode   26=        0.0000001091
 Unscaled step for mode   27=        0.0000000537
 Unscaled step for mode   28=       -0.0000000358
 Unscaled step for mode   29=       -0.0000000956
 Unscaled step for mode   30=        0.0000000767
 Unscaled step for mode   31=        0.0000000781
 Unscaled step for mode   32=        0.0000000396
 Unscaled step for mode   33=       -0.0000000552
 Unscaled step for mode   34=        0.0000000681
 Unscaled step for mode   35=       -0.0000000951
 Unscaled step for mode   36=       -0.0000000930
 Unscaled step for mode   37=       -0.0000000810
 Unscaled step for mode   38=       -0.0000000202
 Unscaled step for mode   39=        0.0000000915
 Unscaled step for mode   40=        0.0000001240
 Unscaled step for mode   41=        0.0000002074
 Unscaled step for mode   42=        0.0000000918
 Unscaled step for mode   43=        0.0000000941
 Unscaled step for mode   44=        0.0000001915
 Unscaled step for mode   45=       -0.0000000268
 Unscaled step for mode   46=       -0.0000001694
 Unscaled step for mode   47=        0.0000001330
 Unscaled step for mode   48=       -0.0000000344
 Unscaled step for mode   49=       -0.0000001610
 Unscaled step for mode   50=        0.0000000375
 Unscaled step for mode   51=        0.0000001010
 Unscaled step for mode   52=        0.0000000448
 Unscaled step for mode   53=        0.0000000888
 Unscaled step for mode   54=        0.0000001453
 Unscaled step for mode   55=       -0.0000001435
 Unscaled step for mode   56=       -0.0000000476
 Unscaled step for mode   57=       -0.0000001038
 Unscaled step for mode   58=       -0.0000001812
 Unscaled step for mode   59=        0.0000000479
 Unscaled step for mode   60=        0.0000001757
 Unscaled step for mode   61=       -0.0000002631
 Unscaled step for mode   62=        0.0000001728
 Unscaled step for mode   63=       -0.0000001288
 Unscaled step for mode   64=       -0.0000003205
 Unscaled step for mode   65=       -0.0000001901
 Unscaled step for mode   66=       -0.0000000823
 Unscaled step for mode   67=        0.0000001340
 Unscaled step for mode   68=        0.0000000732
 Unscaled step for mode   69=       -0.0000000742
 Unscaled step for mode   70=        0.0000002975
 Unscaled step for mode   71=       -0.0000000670
 Unscaled step for mode   72=       -0.0000007800
 Unscaled step for mode   73=       -0.0000002836
 Unscaled step for mode   74=        0.0000002235
 Unscaled step for mode   75=        0.0000008677
 Unscaled step for mode   76=        0.0000002552
 Unscaled step for mode   77=       -0.0000004618
 Unscaled step for mode   78=        0.0000001713
 Unscaled step for mode   79=       -0.0000000720
 Unscaled step for mode   80=        0.0000002384
 Unscaled step for mode   81=        0.0000003578
 Unscaled step for mode   82=        0.0000002250
 Unscaled step for mode   83=       -0.0000001770
 Unscaled step for mode   84=       -0.0000008110
 Unscaled step for mode   85=        0.0000003305
 Unscaled step for mode   86=        0.0000003023
 Unscaled step for mode   87=       -0.0000007193
 Unscaled step for mode   88=       -0.0000002733
 Unscaled step for mode   89=       -0.0000001334
 Unscaled step for mode   90=        0.0000008474
 Unscaled step for mode   91=       -0.0000009173
 Unscaled step for mode   92=       -0.0000010824
 Unscaled step for mode   93=        0.0000002740
 Unscaled step for mode   94=        0.0000010937
 Unscaled step for mode   95=       -0.0000001752
 Unscaled step for mode   96=       -0.0000001955
 Unscaled step for mode   97=        0.0000009557
 Unscaled step for mode   98=       -0.0000014100
 Unscaled step for mode   99=       -0.0000031212
 Unscaled step for mode  100=       -0.0000021680
 Unscaled step for mode  101=        0.0000007143
 Unscaled step for mode  102=       -0.0000038818
 Unscaled step for mode  103=        0.0000016854
 Unscaled step for mode  104=        0.0000052779
 Unscaled step for mode  105=        0.0000031756
 Unscaled step for mode  106=       -0.0000029880
 Unscaled step for mode  107=        0.0000018280
 Unscaled step for mode  108=       -0.0000004170
 Unscaled step for mode  109=        0.0000051473
 Unscaled step for mode  110=        0.0010993062
 Unscaled step for mode  111=       -0.0000063220
 Unscaled step for mode  112=       -0.0021091972
 Unscaled step for mode  113=       -0.0058900715
 Unscaled step for mode  114=       -0.2160552078
 Largest modulus ratio of non-zero e/values=           203.6918066    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.705165E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.132381E-14    0.100683E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.258501E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.102002E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.772521E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.160286E-15    0.974079E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.788787E-05    0.740530E+03  0.106516E-07 0.100000E-04    0.994700E+00
   8   -0.728646E-05    0.674405E+03  0.108043E-07 0.100000E-04    0.993295E+00
   9   -0.270360E-05    0.628449E+03  0.430202E-08 0.100000E-04    0.986125E+00
  10    0.306174E-05    0.602730E+03 -0.507979E-08 0.100000E-04    0.970307E+00
  11   -0.214875E-05    0.587219E+03  0.365920E-08 0.100000E-04    0.983044E+00
  12   -0.765643E-05    0.576113E+03  0.132898E-07 0.100000E-04    0.989308E+00
  13   -0.351140E-05    0.566948E+03  0.619351E-08 0.100000E-04    0.990256E+00
  14    0.372381E-05    0.485843E+03 -0.766464E-08 0.100000E-04    0.995615E+00
  15    0.220732E-05    0.462483E+03 -0.477276E-08 0.100000E-04    0.995148E+00
  16    0.744197E-05    0.460610E+03 -0.161567E-07 0.100000E-04    0.992247E+00
  17    0.399037E-05    0.441671E+03 -0.903471E-08 0.100000E-04    0.977903E+00
  18    0.429298E-05    0.428954E+03 -0.100080E-07 0.100000E-04    0.993684E+00
  19   -0.200549E-04    0.422098E+03  0.475124E-07 0.100000E-04    0.995536E+00
  20    0.413337E-05    0.408541E+03 -0.101174E-07 0.100000E-04    0.992965E+00
  21    0.464575E-05    0.396838E+03 -0.117069E-07 0.100000E-04    0.993152E+00
  22   -0.120228E-04    0.388440E+03  0.309514E-07 0.100000E-04    0.997404E+00
  23    0.215510E-05    0.368958E+03 -0.584104E-08 0.100000E-04    0.947498E+00
  24   -0.646846E-05    0.360861E+03  0.179251E-07 0.100000E-04    0.997192E+00
  25   -0.241235E-04    0.349999E+03  0.689245E-07 0.100000E-04    0.997551E+00
  26   -0.365638E-04    0.335007E+03  0.109143E-06 0.100000E-04    0.997786E+00
  27   -0.175949E-04    0.327678E+03  0.536955E-07 0.100000E-04    0.999169E+00
  28    0.115104E-04    0.321686E+03 -0.357814E-07 0.100000E-04    0.998815E+00
  29    0.305418E-04    0.319611E+03 -0.955596E-07 0.100000E-04    0.991807E+00
  30   -0.238360E-04    0.310584E+03  0.767458E-07 0.100000E-04    0.992370E+00
  31   -0.235980E-04    0.302244E+03  0.780759E-07 0.100000E-04    0.997373E+00
  32   -0.114606E-04    0.289709E+03  0.395591E-07 0.100000E-04    0.998811E+00
  33    0.153635E-04    0.278360E+03 -0.551928E-07 0.100000E-04    0.991894E+00
  34   -0.184919E-04    0.271652E+03  0.680719E-07 0.100000E-04    0.992389E+00
  35    0.254634E-04    0.267763E+03 -0.950967E-07 0.100000E-04    0.995799E+00
  36    0.246244E-04    0.264724E+03 -0.930189E-07 0.100000E-04    0.998683E+00
  37    0.211898E-04    0.261689E+03 -0.809733E-07 0.100000E-04    0.998348E+00
  38    0.512260E-05    0.253778E+03 -0.201854E-07 0.100000E-04    0.991861E+00
  39   -0.221268E-04    0.241759E+03  0.915243E-07 0.100000E-04    0.997310E+00
  40   -0.297285E-04    0.239681E+03  0.124034E-06 0.100000E-04    0.995498E+00
  41   -0.485246E-04    0.233917E+03  0.207443E-06 0.100000E-04    0.999801E+00
  42   -0.209190E-04    0.227846E+03  0.918120E-07 0.100000E-04    0.997013E+00
  43   -0.205073E-04    0.217919E+03  0.941052E-07 0.100000E-04    0.994113E+00
  44   -0.410961E-04    0.214560E+03  0.191536E-06 0.100000E-04    0.999432E+00
  45    0.570336E-05    0.213027E+03 -0.267730E-07 0.100000E-04    0.960075E+00
  46    0.351090E-04    0.207214E+03 -0.169434E-06 0.100000E-04    0.999366E+00
  47   -0.270511E-04    0.203450E+03  0.132962E-06 0.100000E-04    0.994539E+00
  48    0.676216E-05    0.196535E+03 -0.344070E-07 0.100000E-04    0.982455E+00
  49    0.313768E-04    0.194877E+03 -0.161008E-06 0.100000E-04    0.996682E+00
  50   -0.717708E-05    0.191343E+03  0.375090E-07 0.100000E-04    0.943678E+00
  51   -0.185056E-04    0.183238E+03  0.100992E-06 0.100000E-04    0.998251E+00
  52   -0.780470E-05    0.174154E+03  0.448150E-07 0.100000E-04    0.991924E+00
  53   -0.153064E-04    0.172307E+03  0.888319E-07 0.100000E-04    0.995418E+00
  54   -0.243868E-04    0.167803E+03  0.145330E-06 0.100000E-04    0.999818E+00
  55    0.235394E-04    0.164082E+03 -0.143461E-06 0.100000E-04    0.999433E+00
  56    0.750597E-05    0.157761E+03 -0.475780E-07 0.100000E-04    0.997376E+00
  57    0.160299E-04    0.154500E+03 -0.103753E-06 0.100000E-04    0.991433E+00
  58    0.275379E-04    0.151964E+03 -0.181214E-06 0.100000E-04    0.999805E+00
  59   -0.706776E-05    0.147616E+03  0.478792E-07 0.100000E-04    0.988059E+00
  60   -0.252130E-04    0.143485E+03  0.175719E-06 0.100000E-04    0.999192E+00
  61    0.361854E-04    0.137531E+03 -0.263107E-06 0.100000E-04    0.989521E+00
  62   -0.234831E-04    0.135935E+03  0.172753E-06 0.100000E-04    0.997204E+00
  63    0.168036E-04    0.130509E+03 -0.128755E-06 0.100000E-04    0.985618E+00
  64    0.411971E-04    0.128535E+03 -0.320512E-06 0.100000E-04    0.995476E+00
  65    0.240534E-04    0.126532E+03 -0.190098E-06 0.100000E-04    0.988851E+00
  66    0.102902E-04    0.125023E+03 -0.823060E-07 0.100000E-04    0.998288E+00
  67   -0.160635E-04    0.119909E+03  0.133964E-06 0.100000E-04    0.994213E+00
  68   -0.864453E-05    0.118144E+03  0.731695E-07 0.100000E-04    0.996312E+00
  69    0.868488E-05    0.117113E+03 -0.741581E-07 0.100000E-04    0.982793E+00
  70   -0.328668E-04    0.110489E+03  0.297468E-06 0.100000E-04    0.993003E+00
  71    0.718355E-05    0.107211E+03 -0.670042E-07 0.100000E-04    0.992313E+00
  72    0.814924E-04    0.104479E+03 -0.779990E-06 0.100000E-04    0.994955E+00
  73    0.292138E-04    0.103011E+03 -0.283599E-06 0.100000E-04    0.999301E+00
  74   -0.222743E-04    0.996738E+02  0.223472E-06 0.100000E-04    0.996521E+00
  75   -0.831686E-04    0.958527E+02  0.867671E-06 0.100000E-04    0.999408E+00
  76   -0.239927E-04    0.940194E+02  0.255189E-06 0.100000E-04    0.987878E+00
  77    0.430848E-04    0.933076E+02 -0.461750E-06 0.100000E-04    0.989818E+00
  78   -0.155739E-04    0.909073E+02  0.171316E-06 0.100000E-04    0.997713E+00
  79    0.641258E-05    0.890824E+02 -0.719849E-07 0.100000E-04    0.995781E+00
  80   -0.203409E-04    0.853090E+02  0.238438E-06 0.100000E-04    0.993783E+00
  81   -0.289356E-04    0.808679E+02  0.357814E-06 0.100000E-04    0.999216E+00
  82   -0.180148E-04    0.800591E+02  0.225019E-06 0.100000E-04    0.994110E+00
  83    0.138306E-04    0.781580E+02 -0.176957E-06 0.100000E-04    0.983283E+00
  84    0.592911E-04    0.731092E+02 -0.810993E-06 0.100000E-04    0.990304E+00
  85   -0.240167E-04    0.726712E+02  0.330484E-06 0.100000E-04    0.993517E+00
  86   -0.206092E-04    0.681824E+02  0.302266E-06 0.100000E-04    0.987058E+00
  87    0.470394E-04    0.653930E+02 -0.719335E-06 0.100000E-04    0.993425E+00
  88    0.170576E-04    0.624153E+02 -0.273291E-06 0.100000E-04    0.991169E+00
  89    0.799946E-05    0.599688E+02 -0.133394E-06 0.100000E-04    0.959198E+00
  90   -0.503277E-04    0.593932E+02  0.847365E-06 0.100000E-04    0.995831E+00
  91    0.539093E-04    0.587709E+02 -0.917278E-06 0.100000E-04    0.983556E+00
  92    0.606459E-04    0.560309E+02 -0.108237E-05 0.100000E-04    0.993194E+00
  93   -0.144032E-04    0.525591E+02  0.274039E-06 0.100000E-04    0.975582E+00
  94   -0.571979E-04    0.522958E+02  0.109374E-05 0.100000E-04    0.996903E+00
  95    0.876076E-05    0.500133E+02 -0.175169E-06 0.100000E-04    0.955880E+00
  96    0.916949E-05    0.469006E+02 -0.195509E-06 0.100000E-04    0.946545E+00
  97   -0.410587E-04    0.429625E+02  0.955687E-06 0.100000E-04    0.978716E+00
  98    0.573656E-04    0.406845E+02 -0.141001E-05 0.100000E-04    0.992346E+00
  99    0.118025E-03    0.378145E+02 -0.312116E-05 0.100000E-04    0.994173E+00
 100    0.789438E-04    0.364135E+02 -0.216798E-05 0.100000E-04    0.999070E+00
 101   -0.237674E-04    0.332724E+02  0.714328E-06 0.100000E-04    0.951568E+00
 102    0.111741E-03    0.287862E+02 -0.388176E-05 0.100000E-04    0.994061E+00
 103   -0.480557E-04    0.285136E+02  0.168536E-05 0.100000E-04    0.999363E+00
 104   -0.140699E-03    0.266581E+02  0.527794E-05 0.100000E-04    0.991151E+00
 105   -0.736848E-04    0.232031E+02  0.317564E-05 0.100000E-04    0.992526E+00
 106    0.629018E-04    0.210517E+02 -0.298796E-05 0.100000E-04    0.985452E+00
 107   -0.373423E-04    0.204277E+02  0.182802E-05 0.100000E-04    0.908031E+00
 108    0.696442E-05    0.167008E+02 -0.417013E-06 0.100000E-04    0.507941E+00
 109   -0.712766E-04    0.138473E+02  0.514735E-05 0.100000E-04    0.995027E+00
 110   -0.134546E-01    0.122392E+02  0.100000E-04 0.100000E-04    0.520324E+00
 111    0.634876E-04    0.100423E+02 -0.632199E-05 0.100000E-04    0.999409E+00
 112    0.179528E-01    0.851163E+01 -0.212955E-04 0.212955E-04    0.196519E+00
 113    0.368794E-01    0.626107E+01 -0.438056E-04 0.438056E-04    0.124328E+00
 114   -0.823939E+00    0.363554E+01 -0.400000E-03 0.400000E-03    0.202478E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2160552078    

 Beginning of optimization cycle  440.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3239166226
 potential> RMS force:                                               0.0774090041   |gradient|=.8265019942    
 Eigenvalues of the Hessian matrix:
   740.59818    674.41163    628.46532    602.71094    587.21045    576.15330 
   566.94226    485.86992    462.46003    460.60374    441.67426    428.94858 
   422.09847    408.54284    396.83294    388.43324    368.97074    360.85422 
   349.99020    335.00463    327.69711    321.69082    319.59737    310.57050 
   302.22490    289.71991    278.35820    271.66441    267.77087    264.72603 
   261.71329    253.77291    241.75418    239.69384    233.91077    227.83854 
   217.89949    214.56657    213.03301    207.21641    203.44674    196.52345 
   194.87368    191.34160    183.22899    174.14908    172.30917    167.80703 
   164.07252    157.74930    154.50442    151.96928    147.60598    143.48635 
   137.53568    135.93442    130.50747    128.53882    126.53639    125.01621 
   119.91018    118.14433    117.11307    110.48484    107.20624    104.47675 
   103.00882     99.67290     95.85597     94.02546     93.29013     90.91056 
    89.07561     85.31195     80.86725     80.06170     78.15647     73.11344 
    72.67422     68.18112     65.38490     62.40371     59.96925     59.39232 
    58.76373     56.03022     52.55829     52.29464     50.01344     46.89325 
    42.96488     40.68744     37.81717     36.41513     33.25979     28.78620 
    28.51235     26.65099     23.20499     21.05533     20.42031     16.69886 
    13.84786     12.23914     10.04347      8.51077      6.25240      3.62970 
overlap for current and previous eigenvector    109 is         0.9999998083
overlap for current and previous eigenvector    110 is         0.9999997178
overlap for current and previous eigenvector    111 is         0.9999997761
overlap for current and previous eigenvector    112 is         0.9999993341
overlap for current and previous eigenvector    113 is         0.9999990982
overlap for current and previous eigenvector    114 is         0.9999996118
J1,K1,R1,R2,RAT=   7   7   -0.5438135397E-02     2.005254244        0.9945618646    
FOB,PFOB,DIAG,PSTEP=   -0.7930765199E-05   -0.7887865971E-05     740.5981809        0.1065164822E-07
J1,K1,R1,R2,RAT=   8   8   -0.9590720187E-02     2.009571706        0.9904092798    
FOB,PFOB,DIAG,PSTEP=   -0.7356345843E-05   -0.7286462753E-05     674.4116323        0.1080427988E-07
J1,K1,R1,R2,RAT=   9   9   -0.5496571341E-01     2.054912430        0.9450342866    
FOB,PFOB,DIAG,PSTEP=   -0.2852204744E-05   -0.2703595718E-05     628.4653212        0.4302015811E-08
J1,K1,R1,R2,RAT=  10  10   -0.1060000919E-02     2.001122447        0.9989399991    
FOB,PFOB,DIAG,PSTEP=    0.3064986741E-05    0.3061741394E-05     602.7109416       -0.5079791303E-08
J1,K1,R1,R2,RAT=  11  11    0.1641995351E-01     1.983609074        0.9835800465    
FOB,PFOB,DIAG,PSTEP=   -0.2113470395E-05   -0.2148752296E-05     587.2104451        0.3659201105E-08
J1,K1,R1,R2,RAT= 109 109   -0.2007776305E-01     2.019990001        0.9799222370    
FOB,PFOB,DIAG,PSTEP=   -0.7270771768E-04   -0.7127658059E-04     13.84785804        0.5147345403E-05
J1,K1,R1,R2,RAT= 110 110   -0.4624032928         220.3241929        0.5375967072    
FOB,PFOB,DIAG,PSTEP=   -0.1351118570E-01   -0.1345459153E-01     12.23913583        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.6299298889E-02     2.006076724        0.9937007011    
FOB,PFOB,DIAG,PSTEP=    0.6388758402E-04    0.6348761207E-04     10.04346519       -0.6321989174E-05
J1,K1,R1,R2,RAT= 112 112   -0.7279243475         198.8375693        0.2720756525    
FOB,PFOB,DIAG,PSTEP=    0.1808471999E-01    0.1795279029E-01     8.510765452       -0.2129549366E-04
J1,K1,R1,R2,RAT= 113 113   -0.8370115568         270.1375192        0.1629884432    
FOB,PFOB,DIAG,PSTEP=    0.3710866831E-01    0.3687941884E-01     6.252404987       -0.4380561595E-04
J1,K1,R1,R2,RAT= 114 114    0.9784951315        -1135.974022        0.2150486848E-01
FOB,PFOB,DIAG,PSTEP=   -0.8253597626       -0.8239391043         3.629701988       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00002      0.00003     -0.00001     -0.00003 
     0.00004      0.00002     -0.00002     -0.00004     -0.00002     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00003      0.00001      0.00008 
     0.00003     -0.00002     -0.00008      0.00002      0.00004      0.00002 
     0.00001     -0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00002     -0.00002      0.00005      0.00002      0.00001     -0.00005 
     0.00005      0.00006     -0.00002     -0.00006      0.00001     -0.00001 
     0.00004     -0.00006     -0.00012     -0.00008     -0.00002      0.00011 
    -0.00005     -0.00014     -0.00007      0.00006     -0.00004      0.00000 
    -0.00007     -0.01351      0.00006      0.01808      0.03711     -0.82536 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4034548095
 Log product of positive Hessian eigenvalues =          519.3573831183
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6297019877
 Unscaled step for mode    7=        0.0000000107
 Unscaled step for mode    8=        0.0000000109
 Unscaled step for mode    9=        0.0000000045
 Unscaled step for mode   10=       -0.0000000051
 Unscaled step for mode   11=        0.0000000036
 Unscaled step for mode   12=        0.0000000137
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000079
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000088
 Unscaled step for mode   18=       -0.0000000097
 Unscaled step for mode   19=        0.0000000475
 Unscaled step for mode   20=       -0.0000000098
 Unscaled step for mode   21=       -0.0000000114
 Unscaled step for mode   22=        0.0000000313
 Unscaled step for mode   23=       -0.0000000063
 Unscaled step for mode   24=        0.0000000183
 Unscaled step for mode   25=        0.0000000688
 Unscaled step for mode   26=        0.0000001091
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000355
 Unscaled step for mode   29=       -0.0000000960
 Unscaled step for mode   30=        0.0000000769
 Unscaled step for mode   31=        0.0000000785
 Unscaled step for mode   32=        0.0000000402
 Unscaled step for mode   33=       -0.0000000553
 Unscaled step for mode   34=        0.0000000684
 Unscaled step for mode   35=       -0.0000000955
 Unscaled step for mode   36=       -0.0000000938
 Unscaled step for mode   37=       -0.0000000807
 Unscaled step for mode   38=       -0.0000000205
 Unscaled step for mode   39=        0.0000000914
 Unscaled step for mode   40=        0.0000001254
 Unscaled step for mode   41=        0.0000002081
 Unscaled step for mode   42=        0.0000000930
 Unscaled step for mode   43=        0.0000000943
 Unscaled step for mode   44=        0.0000001933
 Unscaled step for mode   45=       -0.0000000273
 Unscaled step for mode   46=       -0.0000001702
 Unscaled step for mode   47=        0.0000001332
 Unscaled step for mode   48=       -0.0000000338
 Unscaled step for mode   49=       -0.0000001615
 Unscaled step for mode   50=        0.0000000362
 Unscaled step for mode   51=        0.0000001007
 Unscaled step for mode   52=        0.0000000448
 Unscaled step for mode   53=        0.0000000884
 Unscaled step for mode   54=        0.0000001453
 Unscaled step for mode   55=       -0.0000001440
 Unscaled step for mode   56=       -0.0000000491
 Unscaled step for mode   57=       -0.0000001032
 Unscaled step for mode   58=       -0.0000001814
 Unscaled step for mode   59=        0.0000000489
 Unscaled step for mode   60=        0.0000001749
 Unscaled step for mode   61=       -0.0000002616
 Unscaled step for mode   62=       -0.0000001727
 Unscaled step for mode   63=        0.0000001263
 Unscaled step for mode   64=        0.0000003213
 Unscaled step for mode   65=        0.0000001877
 Unscaled step for mode   66=        0.0000000815
 Unscaled step for mode   67=        0.0000001367
 Unscaled step for mode   68=        0.0000000722
 Unscaled step for mode   69=       -0.0000000737
 Unscaled step for mode   70=        0.0000002989
 Unscaled step for mode   71=       -0.0000000677
 Unscaled step for mode   72=       -0.0000007821
 Unscaled step for mode   73=       -0.0000002820
 Unscaled step for mode   74=        0.0000002217
 Unscaled step for mode   75=        0.0000008655
 Unscaled step for mode   76=       -0.0000002491
 Unscaled step for mode   77=       -0.0000004653
 Unscaled step for mode   78=       -0.0000001696
 Unscaled step for mode   79=       -0.0000000719
 Unscaled step for mode   80=        0.0000002371
 Unscaled step for mode   81=        0.0000003598
 Unscaled step for mode   82=        0.0000002281
 Unscaled step for mode   83=       -0.0000001740
 Unscaled step for mode   84=       -0.0000008097
 Unscaled step for mode   85=        0.0000003220
 Unscaled step for mode   86=        0.0000003009
 Unscaled step for mode   87=       -0.0000007167
 Unscaled step for mode   88=       -0.0000002812
 Unscaled step for mode   89=       -0.0000001390
 Unscaled step for mode   90=        0.0000008413
 Unscaled step for mode   91=       -0.0000009148
 Unscaled step for mode   92=       -0.0000010821
 Unscaled step for mode   93=        0.0000002872
 Unscaled step for mode   94=        0.0000010926
 Unscaled step for mode   95=       -0.0000001693
 Unscaled step for mode   96=        0.0000001964
 Unscaled step for mode   97=       -0.0000009379
 Unscaled step for mode   98=        0.0000014032
 Unscaled step for mode   99=        0.0000030998
 Unscaled step for mode  100=        0.0000021510
 Unscaled step for mode  101=        0.0000006861
 Unscaled step for mode  102=       -0.0000038771
 Unscaled step for mode  103=        0.0000017024
 Unscaled step for mode  104=        0.0000053272
 Unscaled step for mode  105=        0.0000031488
 Unscaled step for mode  106=       -0.0000028978
 Unscaled step for mode  107=        0.0000018431
 Unscaled step for mode  108=       -0.0000002852
 Unscaled step for mode  109=        0.0000052505
 Unscaled step for mode  110=        0.0011039316
 Unscaled step for mode  111=       -0.0000063611
 Unscaled step for mode  112=       -0.0021249133
 Unscaled step for mode  113=       -0.0059348941
 Unscaled step for mode  114=       -0.2167113767
 Largest modulus ratio of non-zero e/values=           204.0382884    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.882324E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.157480E-14    0.100683E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.656038E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.249041E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.231369E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.219293E-15    0.974081E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.793077E-05    0.740598E+03  0.107086E-07 0.100000E-04    0.994562E+00
   8   -0.735635E-05    0.674412E+03  0.109078E-07 0.100000E-04    0.990409E+00
   9   -0.285220E-05    0.628465E+03  0.453836E-08 0.100000E-04    0.945034E+00
  10    0.306499E-05    0.602711E+03 -0.508533E-08 0.100000E-04    0.998940E+00
  11   -0.211347E-05    0.587210E+03  0.359917E-08 0.100000E-04    0.983580E+00
  12   -0.788012E-05    0.576153E+03  0.136771E-07 0.100000E-04    0.970787E+00
  13   -0.347627E-05    0.566942E+03  0.613161E-08 0.100000E-04    0.989995E+00
  14    0.384389E-05    0.485870E+03 -0.791135E-08 0.100000E-04    0.967757E+00
  15    0.214474E-05    0.462460E+03 -0.463767E-08 0.100000E-04    0.971646E+00
  16    0.739876E-05    0.460604E+03 -0.160632E-07 0.100000E-04    0.994195E+00
  17    0.387689E-05    0.441674E+03 -0.877771E-08 0.100000E-04    0.971545E+00
  18    0.417936E-05    0.428949E+03 -0.974327E-08 0.100000E-04    0.973534E+00
  19   -0.200405E-04    0.422098E+03  0.474783E-07 0.100000E-04    0.999280E+00
  20    0.400377E-05    0.408543E+03 -0.980012E-08 0.100000E-04    0.968636E+00
  21    0.452855E-05    0.396833E+03 -0.114117E-07 0.100000E-04    0.974771E+00
  22   -0.121425E-04    0.388433E+03  0.312601E-07 0.100000E-04    0.990045E+00
  23    0.230930E-05    0.368971E+03 -0.625876E-08 0.100000E-04    0.928451E+00
  24   -0.659572E-05    0.360854E+03  0.182781E-07 0.100000E-04    0.980325E+00
  25   -0.240698E-04    0.349990E+03  0.687728E-07 0.100000E-04    0.997775E+00
  26   -0.365413E-04    0.335005E+03  0.109077E-06 0.100000E-04    0.999384E+00
  27   -0.175192E-04    0.327697E+03  0.534616E-07 0.100000E-04    0.995588E+00
  28    0.114191E-04    0.321691E+03 -0.354971E-07 0.100000E-04    0.992038E+00
  29    0.306670E-04    0.319597E+03 -0.959550E-07 0.100000E-04    0.995904E+00
  30   -0.238950E-04    0.310571E+03  0.769390E-07 0.100000E-04    0.997526E+00
  31   -0.237291E-04    0.302225E+03  0.785146E-07 0.100000E-04    0.994443E+00
  32   -0.116435E-04    0.289720E+03  0.401890E-07 0.100000E-04    0.984040E+00
  33    0.153845E-04    0.278358E+03 -0.552688E-07 0.100000E-04    0.998629E+00
  34   -0.185777E-04    0.271664E+03  0.683848E-07 0.100000E-04    0.995360E+00
  35    0.255588E-04    0.267771E+03 -0.954503E-07 0.100000E-04    0.996254E+00
  36    0.248436E-04    0.264726E+03 -0.938463E-07 0.100000E-04    0.991099E+00
  37    0.211146E-04    0.261713E+03 -0.806785E-07 0.100000E-04    0.996267E+00
  38    0.520818E-05    0.253773E+03 -0.205230E-07 0.100000E-04    0.983293E+00
  39   -0.220880E-04    0.241754E+03  0.913656E-07 0.100000E-04    0.998245E+00
  40   -0.300470E-04    0.239694E+03  0.125356E-06 0.100000E-04    0.989288E+00
  41   -0.486753E-04    0.233911E+03  0.208094E-06 0.100000E-04    0.996893E+00
  42   -0.211801E-04    0.227839E+03  0.929611E-07 0.100000E-04    0.987518E+00
  43   -0.205502E-04    0.217899E+03  0.943106E-07 0.100000E-04    0.997906E+00
  44   -0.414733E-04    0.214567E+03  0.193289E-06 0.100000E-04    0.990822E+00
  45    0.580954E-05    0.213033E+03 -0.272706E-07 0.100000E-04    0.981384E+00
  46    0.352759E-04    0.207216E+03 -0.170237E-06 0.100000E-04    0.995247E+00
  47   -0.270920E-04    0.203447E+03  0.133165E-06 0.100000E-04    0.998487E+00
  48    0.664702E-05    0.196523E+03 -0.338230E-07 0.100000E-04    0.982972E+00
  49    0.314716E-04    0.194874E+03 -0.161498E-06 0.100000E-04    0.996977E+00
  50   -0.692496E-05    0.191342E+03  0.361916E-07 0.100000E-04    0.964871E+00
  51   -0.184517E-04    0.183229E+03  0.100703E-06 0.100000E-04    0.997086E+00
  52   -0.780121E-05    0.174149E+03  0.447962E-07 0.100000E-04    0.999553E+00
  53   -0.152281E-04    0.172309E+03  0.883768E-07 0.100000E-04    0.994867E+00
  54   -0.243873E-04    0.167807E+03  0.145329E-06 0.100000E-04    0.999976E+00
  55    0.236238E-04    0.164073E+03 -0.143984E-06 0.100000E-04    0.996416E+00
  56    0.774771E-05    0.157749E+03 -0.491141E-07 0.100000E-04    0.967792E+00
  57    0.159449E-04    0.154504E+03 -0.103200E-06 0.100000E-04    0.994642E+00
  58    0.275732E-04    0.151969E+03 -0.181439E-06 0.100000E-04    0.998718E+00
  59   -0.722052E-05    0.147606E+03  0.489175E-07 0.100000E-04    0.978385E+00
  60   -0.250986E-04    0.143486E+03  0.174920E-06 0.100000E-04    0.995442E+00
  61    0.359808E-04    0.137536E+03 -0.261611E-06 0.100000E-04    0.994276E+00
  62    0.234815E-04    0.135934E+03 -0.172741E-06 0.100000E-04    0.999930E+00
  63   -0.164893E-04    0.130507E+03  0.126348E-06 0.100000E-04    0.981294E+00
  64   -0.412984E-04    0.128539E+03  0.321291E-06 0.100000E-04    0.997541E+00
  65   -0.237522E-04    0.126536E+03  0.187711E-06 0.100000E-04    0.987405E+00
  66   -0.101874E-04    0.125016E+03  0.814885E-07 0.100000E-04    0.990011E+00
  67   -0.163898E-04    0.119910E+03  0.136684E-06 0.100000E-04    0.979687E+00
  68   -0.852889E-05    0.118144E+03  0.721904E-07 0.100000E-04    0.986616E+00
  69    0.863440E-05    0.117113E+03 -0.737270E-07 0.100000E-04    0.994187E+00
  70   -0.330209E-04    0.110485E+03  0.298873E-06 0.100000E-04    0.995312E+00
  71    0.725818E-05    0.107206E+03 -0.677029E-07 0.100000E-04    0.989611E+00
  72    0.817072E-04    0.104477E+03 -0.782061E-06 0.100000E-04    0.997365E+00
  73    0.290520E-04    0.103009E+03 -0.282034E-06 0.100000E-04    0.994460E+00
  74   -0.220996E-04    0.996729E+02  0.221722E-06 0.100000E-04    0.992160E+00
  75   -0.829615E-04    0.958560E+02  0.865481E-06 0.100000E-04    0.997442E+00
  76    0.234194E-04    0.940255E+02 -0.249075E-06 0.100000E-04    0.975977E+00
  77    0.434053E-04    0.932901E+02 -0.465272E-06 0.100000E-04    0.992560E+00
  78    0.154202E-04    0.909106E+02 -0.169619E-06 0.100000E-04    0.990059E+00
  79    0.640226E-05    0.890756E+02 -0.718745E-07 0.100000E-04    0.998391E+00
  80   -0.202277E-04    0.853119E+02  0.237103E-06 0.100000E-04    0.994368E+00
  81   -0.290930E-04    0.808673E+02  0.359763E-06 0.100000E-04    0.994561E+00
  82   -0.182647E-04    0.800617E+02  0.228133E-06 0.100000E-04    0.986126E+00
  83    0.135983E-04    0.781565E+02 -0.173988E-06 0.100000E-04    0.983206E+00
  84    0.591998E-04    0.731134E+02 -0.809697E-06 0.100000E-04    0.998344E+00
  85   -0.233980E-04    0.726742E+02  0.321957E-06 0.100000E-04    0.974157E+00
  86   -0.205179E-04    0.681811E+02  0.300932E-06 0.100000E-04    0.995569E+00
  87    0.468586E-04    0.653849E+02 -0.716657E-06 0.100000E-04    0.996155E+00
  88    0.175457E-04    0.624037E+02 -0.281165E-06 0.100000E-04    0.971377E+00
  89    0.833831E-05    0.599692E+02 -0.139043E-06 0.100000E-04    0.957640E+00
  90   -0.499672E-04    0.593923E+02  0.841308E-06 0.100000E-04    0.992837E+00
  91    0.537558E-04    0.587637E+02 -0.914779E-06 0.100000E-04    0.997153E+00
  92    0.606288E-04    0.560302E+02 -0.108207E-05 0.100000E-04    0.999718E+00
  93   -0.150960E-04    0.525583E+02  0.287224E-06 0.100000E-04    0.951901E+00
  94   -0.571353E-04    0.522946E+02  0.109257E-05 0.100000E-04    0.998907E+00
  95    0.846856E-05    0.500134E+02 -0.169326E-06 0.100000E-04    0.966641E+00
  96   -0.921056E-05    0.468933E+02  0.196415E-06 0.100000E-04    0.995520E+00
  97    0.402980E-04    0.429649E+02 -0.937929E-06 0.100000E-04    0.981363E+00
  98   -0.570921E-04    0.406874E+02  0.140319E-05 0.100000E-04    0.995090E+00
  99   -0.117226E-03    0.378172E+02  0.309981E-05 0.100000E-04    0.993088E+00
 100   -0.783306E-04    0.364151E+02  0.215105E-05 0.100000E-04    0.992145E+00
 101   -0.228200E-04    0.332598E+02  0.686114E-06 0.100000E-04    0.960123E+00
 102    0.111607E-03    0.287862E+02 -0.387710E-05 0.100000E-04    0.998797E+00
 103   -0.485408E-04    0.285124E+02  0.170245E-05 0.100000E-04    0.989905E+00
 104   -0.141975E-03    0.266510E+02  0.532720E-05 0.100000E-04    0.990931E+00
 105   -0.730669E-04    0.232050E+02  0.314876E-05 0.100000E-04    0.991454E+00
 106    0.610151E-04    0.210553E+02 -0.289785E-05 0.100000E-04    0.969670E+00
 107   -0.376367E-04    0.204203E+02  0.184310E-05 0.100000E-04    0.992114E+00
 108    0.476313E-05    0.166989E+02 -0.285237E-06 0.100000E-04    0.683887E+00
 109   -0.727077E-04    0.138479E+02  0.525047E-05 0.100000E-04    0.979922E+00
 110   -0.135112E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.537597E+00
 111    0.638876E-04    0.100435E+02 -0.636111E-05 0.100000E-04    0.993701E+00
 112    0.180847E-01    0.851077E+01 -0.191851E-04 0.191851E-04    0.272076E+00
 113    0.371087E-01    0.625240E+01 -0.477481E-04 0.477481E-04    0.162988E+00
 114   -0.825360E+00    0.362970E+01 -0.400000E-03 0.400000E-03    0.215049E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2167113767    

 Beginning of optimization cycle  441.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3235884351
 potential> RMS force:                                               0.0775429034   |gradient|=.8279316471    
 Eigenvalues of the Hessian matrix:
   740.66664    674.41764    628.48223    602.69233    587.20172    576.19422 
   566.93591    485.89682    462.43695    460.59705    441.67787    428.94391 
   422.09890    408.54459    396.82819    388.42655    368.98305    360.84722 
   349.98209    335.00224    327.71585    321.69533    319.58436    310.55705 
   302.20607    289.73115    278.35659    271.67677    267.77863    264.72771 
   261.73794    253.76815    241.74923    239.70683    233.90432    227.83085 
   217.88011    214.57288    213.03937    207.21894    203.44331    196.51224 
   194.87025    191.33998    183.22031    174.14433    172.31084    167.81080 
   164.06250    157.73726    154.50874    151.97485    147.59544    143.48767 
   137.54070    135.93399    130.50612    128.54266    126.54096    125.00902 
   119.91131    118.14466    117.11289    110.48104    107.20187    104.47462 
   103.00682     99.67197     95.85926     94.03136     93.27257     90.91388 
    89.06879     85.31491     80.86655     80.06435     78.15492     73.11759 
    72.67709     68.17972     65.37680     62.39196     59.96971     59.39142 
    58.75635     56.02947     52.55747     52.29340     50.01363     46.88583 
    42.96733     40.69031     37.81971     36.41645     33.24709     28.78623 
    28.51113     26.64393     23.20690     21.05886     20.41289     16.69693 
    13.84846     12.23912     10.04459      8.50999      6.24372      3.62386 
overlap for current and previous eigenvector    109 is        -0.9999998035
overlap for current and previous eigenvector    110 is         0.9999997162
overlap for current and previous eigenvector    111 is         0.9999997659
overlap for current and previous eigenvector    112 is         0.9999993481
overlap for current and previous eigenvector    113 is         0.9999991002
overlap for current and previous eigenvector    114 is         0.9999995934
J1,K1,R1,R2,RAT=   7   7   -0.3231434375E-02     2.003046579        0.9967685656    
FOB,PFOB,DIAG,PSTEP=   -0.7956395315E-05   -0.7930765199E-05     740.6666388        0.1070859395E-07
J1,K1,R1,R2,RAT=   8   8   -0.1180022450E-01     2.011782420        0.9881997755    
FOB,PFOB,DIAG,PSTEP=   -0.7443153148E-05   -0.7356345843E-05     674.4176361        0.1090779798E-07
J1,K1,R1,R2,RAT=   9   9   -0.2499745217E-01     2.024943643        0.9750025478    
FOB,PFOB,DIAG,PSTEP=   -0.2923504514E-05   -0.2852204744E-05     628.4822302        0.4538364566E-08
J1,K1,R1,R2,RAT=  10  10    0.1770001923E-01     1.982361752        0.9822999808    
FOB,PFOB,DIAG,PSTEP=    0.3010738093E-05    0.3064986741E-05     602.6923272       -0.5085334494E-08
J1,K1,R1,R2,RAT=  11  11   -0.3444392273E-02     2.003474124        0.9965556077    
FOB,PFOB,DIAG,PSTEP=   -0.2120749908E-05   -0.2113470395E-05     587.2017159        0.3599170301E-08
J1,K1,R1,R2,RAT= 109 109     1.997187206        0.2725689187E-02    0.9971872062    
FOB,PFOB,DIAG,PSTEP=    0.7250953041E-04   -0.7270771768E-04     13.84846117        0.5250466714E-05
J1,K1,R1,R2,RAT= 110 110   -0.4356206045         221.2225708        0.5643793955    
FOB,PFOB,DIAG,PSTEP=   -0.1356450181E-01   -0.1351118570E-01     12.23911620        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1804030121E-02     1.997971978        0.9979719782    
FOB,PFOB,DIAG,PSTEP=    0.6377231599E-04    0.6388758402E-04     10.04459015       -0.6361109716E-05
J1,K1,R1,R2,RAT= 112 112   -0.9453246801         222.4831935        0.5467531987E-01
FOB,PFOB,DIAG,PSTEP=    0.1823905868E-01    0.1808471999E-01     8.509990551       -0.1918512942E-04
J1,K1,R1,R2,RAT= 113 113   -0.7718937523         249.7182677        0.2281062477    
FOB,PFOB,DIAG,PSTEP=    0.3733878975E-01    0.3710866831E-01     6.243717874       -0.4774812139E-04
J1,K1,R1,R2,RAT= 114 114    0.9775507668        -1139.761724        0.2244923324E-01
FOB,PFOB,DIAG,PSTEP=   -0.8267767670       -0.8253597626         3.623863862       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002     -0.00001     -0.00002      0.00003     -0.00001     -0.00003 
    -0.00004      0.00002     -0.00002     -0.00004     -0.00002     -0.00001 
    -0.00002     -0.00001     -0.00001     -0.00003      0.00001      0.00008 
     0.00003     -0.00002     -0.00008     -0.00002      0.00004      0.00002 
     0.00001     -0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00002     -0.00002      0.00005      0.00002      0.00001     -0.00005 
     0.00005      0.00006     -0.00002     -0.00006      0.00001      0.00001 
     0.00004     -0.00006     -0.00012     -0.00008      0.00002      0.00011 
    -0.00005     -0.00014     -0.00007      0.00006     -0.00004     -0.00000 
     0.00007     -0.01356      0.00006      0.01824      0.03734     -0.82678 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4032026459
 Log product of positive Hessian eigenvalues =          519.3528897764
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6238638621
 Unscaled step for mode    7=        0.0000000107
 Unscaled step for mode    8=        0.0000000110
 Unscaled step for mode    9=        0.0000000047
 Unscaled step for mode   10=       -0.0000000050
 Unscaled step for mode   11=        0.0000000036
 Unscaled step for mode   12=        0.0000000139
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000081
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000086
 Unscaled step for mode   18=       -0.0000000097
 Unscaled step for mode   19=        0.0000000474
 Unscaled step for mode   20=       -0.0000000096
 Unscaled step for mode   21=       -0.0000000112
 Unscaled step for mode   22=        0.0000000313
 Unscaled step for mode   23=       -0.0000000065
 Unscaled step for mode   24=        0.0000000184
 Unscaled step for mode   25=        0.0000000689
 Unscaled step for mode   26=        0.0000001089
 Unscaled step for mode   27=        0.0000000534
 Unscaled step for mode   28=       -0.0000000353
 Unscaled step for mode   29=       -0.0000000960
 Unscaled step for mode   30=        0.0000000774
 Unscaled step for mode   31=        0.0000000792
 Unscaled step for mode   32=        0.0000000405
 Unscaled step for mode   33=       -0.0000000549
 Unscaled step for mode   34=        0.0000000684
 Unscaled step for mode   35=       -0.0000000959
 Unscaled step for mode   36=       -0.0000000944
 Unscaled step for mode   37=       -0.0000000806
 Unscaled step for mode   38=       -0.0000000207
 Unscaled step for mode   39=        0.0000000912
 Unscaled step for mode   40=        0.0000001261
 Unscaled step for mode   41=        0.0000002085
 Unscaled step for mode   42=        0.0000000939
 Unscaled step for mode   43=        0.0000000948
 Unscaled step for mode   44=        0.0000001946
 Unscaled step for mode   45=       -0.0000000274
 Unscaled step for mode   46=       -0.0000001708
 Unscaled step for mode   47=        0.0000001333
 Unscaled step for mode   48=       -0.0000000333
 Unscaled step for mode   49=       -0.0000001624
 Unscaled step for mode   50=        0.0000000341
 Unscaled step for mode   51=        0.0000001010
 Unscaled step for mode   52=        0.0000000451
 Unscaled step for mode   53=        0.0000000882
 Unscaled step for mode   54=        0.0000001461
 Unscaled step for mode   55=       -0.0000001444
 Unscaled step for mode   56=        0.0000000489
 Unscaled step for mode   57=        0.0000001034
 Unscaled step for mode   58=       -0.0000001818
 Unscaled step for mode   59=        0.0000000489
 Unscaled step for mode   60=        0.0000001752
 Unscaled step for mode   61=        0.0000002598
 Unscaled step for mode   62=       -0.0000001723
 Unscaled step for mode   63=        0.0000001230
 Unscaled step for mode   64=        0.0000003218
 Unscaled step for mode   65=        0.0000001859
 Unscaled step for mode   66=        0.0000000798
 Unscaled step for mode   67=        0.0000001388
 Unscaled step for mode   68=        0.0000000719
 Unscaled step for mode   69=        0.0000000733
 Unscaled step for mode   70=        0.0000003015
 Unscaled step for mode   71=       -0.0000000678
 Unscaled step for mode   72=       -0.0000007818
 Unscaled step for mode   73=       -0.0000002814
 Unscaled step for mode   74=        0.0000002196
 Unscaled step for mode   75=        0.0000008646
 Unscaled step for mode   76=        0.0000002429
 Unscaled step for mode   77=       -0.0000004680
 Unscaled step for mode   78=       -0.0000001731
 Unscaled step for mode   79=       -0.0000000708
 Unscaled step for mode   80=        0.0000002378
 Unscaled step for mode   81=        0.0000003611
 Unscaled step for mode   82=        0.0000002323
 Unscaled step for mode   83=       -0.0000001766
 Unscaled step for mode   84=       -0.0000008060
 Unscaled step for mode   85=        0.0000003125
 Unscaled step for mode   86=        0.0000003011
 Unscaled step for mode   87=       -0.0000007149
 Unscaled step for mode   88=       -0.0000002816
 Unscaled step for mode   89=       -0.0000001462
 Unscaled step for mode   90=        0.0000008363
 Unscaled step for mode   91=       -0.0000009128
 Unscaled step for mode   92=       -0.0000010890
 Unscaled step for mode   93=        0.0000002996
 Unscaled step for mode   94=        0.0000010877
 Unscaled step for mode   95=       -0.0000001561
 Unscaled step for mode   96=       -0.0000001963
 Unscaled step for mode   97=       -0.0000009195
 Unscaled step for mode   98=        0.0000014003
 Unscaled step for mode   99=        0.0000030783
 Unscaled step for mode  100=        0.0000021507
 Unscaled step for mode  101=       -0.0000006460
 Unscaled step for mode  102=       -0.0000038667
 Unscaled step for mode  103=        0.0000017098
 Unscaled step for mode  104=        0.0000053055
 Unscaled step for mode  105=        0.0000031469
 Unscaled step for mode  106=       -0.0000028669
 Unscaled step for mode  107=        0.0000020071
 Unscaled step for mode  108=        0.0000001515
 Unscaled step for mode  109=       -0.0000052359
 Unscaled step for mode  110=        0.0011082896
 Unscaled step for mode  111=       -0.0000063489
 Unscaled step for mode  112=       -0.0021432427
 Unscaled step for mode  113=       -0.0059800035
 Unscaled step for mode  114=       -0.2173681199
 Largest modulus ratio of non-zero e/values=           204.3858895    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.626994E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.946400E-15    0.100682E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.825856E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.477049E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.868663E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.616803E-15    0.974082E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.795640E-05    0.740667E+03  0.107422E-07 0.100000E-04    0.996769E+00
   8   -0.744315E-05    0.674418E+03  0.110364E-07 0.100000E-04    0.988200E+00
   9   -0.292350E-05    0.628482E+03  0.465169E-08 0.100000E-04    0.975003E+00
  10    0.301074E-05    0.602692E+03 -0.499548E-08 0.100000E-04    0.982300E+00
  11   -0.212075E-05    0.587202E+03  0.361162E-08 0.100000E-04    0.996556E+00
  12   -0.802093E-05    0.576194E+03  0.139205E-07 0.100000E-04    0.982131E+00
  13   -0.352161E-05    0.566936E+03  0.621166E-08 0.100000E-04    0.986956E+00
  14    0.394694E-05    0.485897E+03 -0.812300E-08 0.100000E-04    0.973192E+00
  15    0.218119E-05    0.462437E+03 -0.471672E-08 0.100000E-04    0.983005E+00
  16    0.735412E-05    0.460597E+03 -0.159665E-07 0.100000E-04    0.993965E+00
  17    0.379294E-05    0.441678E+03 -0.858756E-08 0.100000E-04    0.978330E+00
  18    0.416632E-05    0.428944E+03 -0.971298E-08 0.100000E-04    0.996881E+00
  19   -0.200247E-04    0.422099E+03  0.474407E-07 0.100000E-04    0.999208E+00
  20    0.393655E-05    0.408545E+03 -0.963554E-08 0.100000E-04    0.983203E+00
  21    0.445573E-05    0.396828E+03 -0.112284E-07 0.100000E-04    0.983920E+00
  22   -0.121711E-04    0.388427E+03  0.313345E-07 0.100000E-04    0.997638E+00
  23    0.241607E-05    0.368983E+03 -0.654793E-08 0.100000E-04    0.953766E+00
  24   -0.664017E-05    0.360847E+03  0.184016E-07 0.100000E-04    0.993261E+00
  25   -0.241043E-04    0.349982E+03  0.688729E-07 0.100000E-04    0.998568E+00
  26   -0.364779E-04    0.335002E+03  0.108888E-06 0.100000E-04    0.998264E+00
  27   -0.175121E-04    0.327716E+03  0.534368E-07 0.100000E-04    0.999479E+00
  28    0.113519E-04    0.321695E+03 -0.352877E-07 0.100000E-04    0.994088E+00
  29    0.306912E-04    0.319584E+03 -0.960348E-07 0.100000E-04    0.999209E+00
  30   -0.240252E-04    0.310557E+03  0.773618E-07 0.100000E-04    0.994549E+00
  31   -0.239230E-04    0.302206E+03  0.791611E-07 0.100000E-04    0.991828E+00
  32   -0.117206E-04    0.289731E+03  0.404533E-07 0.100000E-04    0.993383E+00
  33    0.152917E-04    0.278357E+03 -0.549357E-07 0.100000E-04    0.993966E+00
  34   -0.185771E-04    0.271677E+03  0.683793E-07 0.100000E-04    0.999875E+00
  35    0.256809E-04    0.267779E+03 -0.959033E-07 0.100000E-04    0.995224E+00
  36    0.249874E-04    0.264728E+03 -0.943889E-07 0.100000E-04    0.994212E+00
  37    0.210875E-04    0.261738E+03 -0.805674E-07 0.100000E-04    0.998528E+00
  38    0.525576E-05    0.253768E+03 -0.207109E-07 0.100000E-04    0.990864E+00
  39   -0.220541E-04    0.241749E+03  0.912271E-07 0.100000E-04    0.998463E+00
  40   -0.302237E-04    0.239707E+03  0.126086E-06 0.100000E-04    0.994119E+00
  41   -0.487667E-04    0.233904E+03  0.208490E-06 0.100000E-04    0.998122E+00
  42   -0.213853E-04    0.227831E+03  0.938648E-07 0.100000E-04    0.990312E+00
  43   -0.206553E-04    0.217880E+03  0.948014E-07 0.100000E-04    0.994885E+00
  44   -0.417648E-04    0.214573E+03  0.194642E-06 0.100000E-04    0.992971E+00
  45    0.583078E-05    0.213039E+03 -0.273695E-07 0.100000E-04    0.996344E+00
  46    0.353908E-04    0.207219E+03 -0.170789E-06 0.100000E-04    0.996741E+00
  47   -0.271121E-04    0.203443E+03  0.133266E-06 0.100000E-04    0.999259E+00
  48    0.654749E-05    0.196512E+03 -0.333185E-07 0.100000E-04    0.985026E+00
  49    0.316515E-04    0.194870E+03 -0.162423E-06 0.100000E-04    0.994286E+00
  50   -0.651790E-05    0.191340E+03  0.340645E-07 0.100000E-04    0.941217E+00
  51   -0.184986E-04    0.183220E+03  0.100964E-06 0.100000E-04    0.997457E+00
  52   -0.785030E-05    0.174144E+03  0.450793E-07 0.100000E-04    0.993707E+00
  53   -0.151970E-04    0.172311E+03  0.881951E-07 0.100000E-04    0.997934E+00
  54   -0.245253E-04    0.167811E+03  0.146149E-06 0.100000E-04    0.994340E+00
  55    0.236951E-04    0.164062E+03 -0.144427E-06 0.100000E-04    0.996982E+00
  56   -0.771589E-05    0.157737E+03  0.489161E-07 0.100000E-04    0.995893E+00
  57   -0.159686E-04    0.154509E+03  0.103351E-06 0.100000E-04    0.998512E+00
  58    0.276268E-04    0.151975E+03 -0.181785E-06 0.100000E-04    0.998057E+00
  59   -0.721023E-05    0.147595E+03  0.488513E-07 0.100000E-04    0.998575E+00
  60   -0.251369E-04    0.143488E+03  0.175185E-06 0.100000E-04    0.998473E+00
  61   -0.357381E-04    0.137541E+03  0.259837E-06 0.100000E-04    0.993182E+00
  62    0.234255E-04    0.135934E+03 -0.172330E-06 0.100000E-04    0.997615E+00
  63   -0.160504E-04    0.130506E+03  0.122986E-06 0.100000E-04    0.973384E+00
  64   -0.413603E-04    0.128543E+03  0.321763E-06 0.100000E-04    0.998501E+00
  65   -0.235271E-04    0.126541E+03  0.185925E-06 0.100000E-04    0.990450E+00
  66   -0.997747E-05    0.125009E+03  0.798140E-07 0.100000E-04    0.979394E+00
  67   -0.166468E-04    0.119911E+03  0.138826E-06 0.100000E-04    0.984317E+00
  68   -0.849590E-05    0.118145E+03  0.719110E-07 0.100000E-04    0.996127E+00
  69   -0.858627E-05    0.117113E+03  0.733162E-07 0.100000E-04    0.994426E+00
  70   -0.333140E-04    0.110481E+03  0.301536E-06 0.100000E-04    0.991123E+00
  71    0.726978E-05    0.107202E+03 -0.678139E-07 0.100000E-04    0.998402E+00
  72    0.816789E-04    0.104475E+03 -0.781806E-06 0.100000E-04    0.999653E+00
  73    0.289820E-04    0.103007E+03 -0.281360E-06 0.100000E-04    0.997592E+00
  74   -0.218904E-04    0.996720E+02  0.219624E-06 0.100000E-04    0.990531E+00
  75   -0.828795E-04    0.958593E+02  0.864595E-06 0.100000E-04    0.998943E+00
  76   -0.228410E-04    0.940314E+02  0.242908E-06 0.100000E-04    0.975177E+00
  77    0.436498E-04    0.932726E+02 -0.467981E-06 0.100000E-04    0.994367E+00
  78    0.157405E-04    0.909139E+02 -0.173137E-06 0.100000E-04    0.979226E+00
  79    0.630792E-05    0.890688E+02 -0.708207E-07 0.100000E-04    0.985263E+00
  80   -0.202855E-04    0.853149E+02  0.237772E-06 0.100000E-04    0.997145E+00
  81   -0.292025E-04    0.808665E+02  0.361120E-06 0.100000E-04    0.996237E+00
  82   -0.185966E-04    0.800643E+02  0.232270E-06 0.100000E-04    0.981833E+00
  83    0.138019E-04    0.781549E+02 -0.176596E-06 0.100000E-04    0.985029E+00
  84    0.589347E-04    0.731176E+02 -0.806026E-06 0.100000E-04    0.995409E+00
  85   -0.227119E-04    0.726771E+02  0.312504E-06 0.100000E-04    0.970600E+00
  86   -0.205315E-04    0.681797E+02  0.301138E-06 0.100000E-04    0.999336E+00
  87    0.467370E-04    0.653768E+02 -0.714887E-06 0.100000E-04    0.997405E+00
  88    0.175698E-04    0.623920E+02 -0.281603E-06 0.100000E-04    0.998630E+00
  89    0.876665E-05    0.599697E+02 -0.146185E-06 0.100000E-04    0.948631E+00
  90   -0.496695E-04    0.593914E+02  0.836308E-06 0.100000E-04    0.994042E+00
  91    0.536352E-04    0.587564E+02 -0.912841E-06 0.100000E-04    0.997756E+00
  92    0.610135E-04    0.560295E+02 -0.108895E-05 0.100000E-04    0.993655E+00
  93   -0.157444E-04    0.525575E+02  0.299566E-06 0.100000E-04    0.957045E+00
  94   -0.568811E-04    0.522934E+02  0.108773E-05 0.100000E-04    0.995551E+00
  95    0.780522E-05    0.500136E+02 -0.156062E-06 0.100000E-04    0.921663E+00
  96    0.920592E-05    0.468858E+02 -0.196348E-06 0.100000E-04    0.999497E+00
  97    0.395071E-04    0.429673E+02 -0.919468E-06 0.100000E-04    0.980260E+00
  98   -0.569781E-04    0.406903E+02  0.140029E-05 0.100000E-04    0.997862E+00
  99   -0.116420E-03    0.378197E+02  0.307829E-05 0.100000E-04    0.992989E+00
 100   -0.783222E-04    0.364165E+02  0.215074E-05 0.100000E-04    0.999820E+00
 101    0.214769E-04    0.332471E+02 -0.645979E-06 0.100000E-04    0.941121E+00
 102    0.111306E-03    0.287862E+02 -0.386665E-05 0.100000E-04    0.997305E+00
 103   -0.487489E-04    0.285111E+02  0.170982E-05 0.100000E-04    0.995714E+00
 104   -0.141359E-03    0.266439E+02  0.530548E-05 0.100000E-04    0.995657E+00
 105   -0.730287E-04    0.232069E+02  0.314685E-05 0.100000E-04    0.999314E+00
 106    0.603744E-04    0.210589E+02 -0.286693E-05 0.100000E-04    0.989164E+00
 107   -0.409704E-04    0.204129E+02  0.200709E-05 0.100000E-04    0.911390E+00
 108   -0.253003E-05    0.166969E+02  0.151526E-06 0.100000E-04    0.531115E+00
 109    0.725095E-04    0.138485E+02 -0.523593E-05 0.100000E-04    0.997187E+00
 110   -0.135645E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.564379E+00
 111    0.637723E-04    0.100446E+02 -0.634892E-05 0.100000E-04    0.997972E+00
 112    0.182391E-01    0.850999E+01 -0.209118E-04 0.209118E-04    0.546753E-01
 113    0.373388E-01    0.624372E+01 -0.430163E-04 0.430163E-04    0.228106E+00
 114   -0.826777E+00    0.362386E+01 -0.400000E-03 0.400000E-03    0.224492E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2173681199    

 Beginning of optimization cycle  442.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3232595516
 potential> RMS force:                                               0.0776766699   |gradient|=.8293598825    
 Eigenvalues of the Hessian matrix:
   740.73488    674.42411    628.49897    602.67340    587.19329    576.23471 
   566.92993    485.92393    462.41399    460.59037    441.68161    428.93887 
   422.09925    408.54641    396.82350    388.41980    368.99539    360.84016 
   349.97375    334.99980    327.73446    321.70000    319.57097    310.54371 
   302.18707    289.74237    278.35480    271.68905    267.78623    264.72926 
   261.76220    253.76322    241.74410    239.71961    233.89777    227.82294 
   217.86077    214.57905    213.04566    207.22144    203.43990    196.50103 
   194.86667    191.33835    183.21149    174.13961    172.31242    167.81448 
   164.05254    157.72528    154.51297    151.98045    147.58503    143.48909 
   137.54564    135.93353    130.50491    128.54641    126.54555    125.00200 
   119.91245    118.14502    117.11280    110.47725    107.19762    104.47259 
   103.00482     99.67108     95.86268     94.03721     93.25500     90.91712 
    89.06205     85.31779     80.86583     80.06687     78.15342     73.12186 
    72.68009     68.17848     65.36888     62.38020     59.97014     59.39066 
    58.74904     56.02881     52.55673     52.29224     50.01379     46.87850 
    42.96973     40.69322     37.82232     36.41803     33.23447     28.78628 
    28.50990     26.63688     23.20875     21.06255     20.40536     16.69500 
    13.84907     12.23910     10.04570      8.50911      6.23503      3.61803 
overlap for current and previous eigenvector    109 is         0.9999998094
overlap for current and previous eigenvector    110 is         0.9999997214
overlap for current and previous eigenvector    111 is         0.9999997788
overlap for current and previous eigenvector    112 is         0.9999993525
overlap for current and previous eigenvector    113 is         0.9999991134
overlap for current and previous eigenvector    114 is         0.9999996165
J1,K1,R1,R2,RAT=   7   7   -0.5215293784E-02     2.005031054        0.9947847062    
FOB,PFOB,DIAG,PSTEP=   -0.7997894077E-05   -0.7956395315E-05     740.7348752        0.1074220830E-07
J1,K1,R1,R2,RAT=   8   8    0.7213278830E-02     1.992767517        0.9927675175    
FOB,PFOB,DIAG,PSTEP=   -0.7389463094E-05   -0.7443153148E-05     674.4241118        0.1103641534E-07
J1,K1,R1,R2,RAT=   9   9    0.1467162532E-01     1.985275093        0.9852750928    
FOB,PFOB,DIAG,PSTEP=   -0.2880610809E-05   -0.2923504514E-05     628.4989740        0.4651690014E-08
J1,K1,R1,R2,RAT=  10  10   -0.3120330176E-01     2.031266101        0.9687966982    
FOB,PFOB,DIAG,PSTEP=    0.3104680112E-05    0.3010738093E-05     602.6734036       -0.4995481039E-08
J1,K1,R1,R2,RAT=  11  11   -0.1768332765E-01     2.017712015        0.9823166723    
FOB,PFOB,DIAG,PSTEP=   -0.2158251285E-05   -0.2120749908E-05     587.1932935        0.3611620761E-08
J1,K1,R1,R2,RAT= 109 109    0.5280146522E-02     1.994632435        0.9946324348    
FOB,PFOB,DIAG,PSTEP=    0.7212665273E-04    0.7250953041E-04     13.84906650       -0.5235926903E-05
J1,K1,R1,R2,RAT= 110 110   -0.4661863006         222.1245983        0.5338136994    
FOB,PFOB,DIAG,PSTEP=   -0.1362155884E-01   -0.1356450181E-01     12.23910403        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1130849408E-02     2.000909761        0.9988691506    
FOB,PFOB,DIAG,PSTEP=    0.6384444084E-04    0.6377231599E-04     10.04570064       -0.6348921664E-05
J1,K1,R1,R2,RAT= 112 112   -0.7474130546         205.7488373        0.2525869454    
FOB,PFOB,DIAG,PSTEP=    0.1837205396E-01    0.1823905868E-01     8.509113311       -0.2091179107E-04
J1,K1,R1,R2,RAT= 113 113   -0.8685763601         279.3001257        0.1314236399    
FOB,PFOB,DIAG,PSTEP=    0.3757174891E-01    0.3733878975E-01     6.235029007       -0.4301632557E-04
J1,K1,R1,R2,RAT= 114 114    0.9783063635        -1143.558518        0.2169363646E-01
FOB,PFOB,DIAG,PSTEP=   -0.8281925818       -0.8267767670         3.618025058       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002     -0.00001     -0.00002      0.00003     -0.00001     -0.00003 
     0.00004      0.00002     -0.00002     -0.00004     -0.00002     -0.00001 
    -0.00002     -0.00001     -0.00001     -0.00003      0.00001      0.00008 
     0.00003     -0.00002     -0.00008      0.00002      0.00004      0.00002 
     0.00001     -0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00002     -0.00002      0.00005      0.00002      0.00001     -0.00005 
     0.00005      0.00006     -0.00002     -0.00006      0.00001      0.00001 
     0.00004     -0.00006     -0.00012     -0.00008     -0.00002      0.00011 
    -0.00005     -0.00014     -0.00007      0.00006     -0.00004     -0.00000 
     0.00007     -0.01362      0.00006      0.01837      0.03757     -0.82819 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4029416436
 Log product of positive Hessian eigenvalues =          519.3484004187
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6180250578
 Unscaled step for mode    7=        0.0000000108
 Unscaled step for mode    8=        0.0000000110
 Unscaled step for mode    9=        0.0000000046
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000138
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000081
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000088
 Unscaled step for mode   18=       -0.0000000098
 Unscaled step for mode   19=        0.0000000477
 Unscaled step for mode   20=       -0.0000000097
 Unscaled step for mode   21=       -0.0000000113
 Unscaled step for mode   22=        0.0000000314
 Unscaled step for mode   23=       -0.0000000062
 Unscaled step for mode   24=        0.0000000184
 Unscaled step for mode   25=        0.0000000690
 Unscaled step for mode   26=        0.0000001091
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000353
 Unscaled step for mode   29=       -0.0000000968
 Unscaled step for mode   30=        0.0000000768
 Unscaled step for mode   31=        0.0000000789
 Unscaled step for mode   32=        0.0000000405
 Unscaled step for mode   33=       -0.0000000554
 Unscaled step for mode   34=        0.0000000689
 Unscaled step for mode   35=       -0.0000000955
 Unscaled step for mode   36=       -0.0000000943
 Unscaled step for mode   37=       -0.0000000807
 Unscaled step for mode   38=       -0.0000000209
 Unscaled step for mode   39=        0.0000000915
 Unscaled step for mode   40=        0.0000001266
 Unscaled step for mode   41=        0.0000002084
 Unscaled step for mode   42=        0.0000000936
 Unscaled step for mode   43=        0.0000000942
 Unscaled step for mode   44=        0.0000001945
 Unscaled step for mode   45=       -0.0000000284
 Unscaled step for mode   46=       -0.0000001709
 Unscaled step for mode   47=        0.0000001325
 Unscaled step for mode   48=       -0.0000000339
 Unscaled step for mode   49=       -0.0000001618
 Unscaled step for mode   50=        0.0000000362
 Unscaled step for mode   51=        0.0000001008
 Unscaled step for mode   52=        0.0000000455
 Unscaled step for mode   53=        0.0000000886
 Unscaled step for mode   54=        0.0000001461
 Unscaled step for mode   55=       -0.0000001445
 Unscaled step for mode   56=        0.0000000490
 Unscaled step for mode   57=        0.0000001043
 Unscaled step for mode   58=       -0.0000001818
 Unscaled step for mode   59=        0.0000000494
 Unscaled step for mode   60=        0.0000001753
 Unscaled step for mode   61=       -0.0000002627
 Unscaled step for mode   62=       -0.0000001718
 Unscaled step for mode   63=        0.0000001249
 Unscaled step for mode   64=        0.0000003232
 Unscaled step for mode   65=        0.0000001881
 Unscaled step for mode   66=        0.0000000800
 Unscaled step for mode   67=        0.0000001380
 Unscaled step for mode   68=        0.0000000722
 Unscaled step for mode   69=        0.0000000747
 Unscaled step for mode   70=        0.0000002993
 Unscaled step for mode   71=       -0.0000000672
 Unscaled step for mode   72=       -0.0000007858
 Unscaled step for mode   73=       -0.0000002816
 Unscaled step for mode   74=        0.0000002205
 Unscaled step for mode   75=        0.0000008651
 Unscaled step for mode   76=       -0.0000002399
 Unscaled step for mode   77=       -0.0000004728
 Unscaled step for mode   78=       -0.0000001726
 Unscaled step for mode   79=       -0.0000000711
 Unscaled step for mode   80=        0.0000002362
 Unscaled step for mode   81=        0.0000003614
 Unscaled step for mode   82=        0.0000002308
 Unscaled step for mode   83=       -0.0000001734
 Unscaled step for mode   84=       -0.0000008141
 Unscaled step for mode   85=        0.0000003150
 Unscaled step for mode   86=        0.0000003052
 Unscaled step for mode   87=       -0.0000007199
 Unscaled step for mode   88=       -0.0000002842
 Unscaled step for mode   89=       -0.0000001403
 Unscaled step for mode   90=        0.0000008327
 Unscaled step for mode   91=       -0.0000009277
 Unscaled step for mode   92=       -0.0000010811
 Unscaled step for mode   93=        0.0000003060
 Unscaled step for mode   94=        0.0000010913
 Unscaled step for mode   95=       -0.0000001641
 Unscaled step for mode   96=       -0.0000002064
 Unscaled step for mode   97=       -0.0000009407
 Unscaled step for mode   98=        0.0000014116
 Unscaled step for mode   99=        0.0000030972
 Unscaled step for mode  100=        0.0000021489
 Unscaled step for mode  101=        0.0000006803
 Unscaled step for mode  102=       -0.0000038905
 Unscaled step for mode  103=        0.0000017081
 Unscaled step for mode  104=        0.0000053538
 Unscaled step for mode  105=        0.0000031705
 Unscaled step for mode  106=       -0.0000029067
 Unscaled step for mode  107=        0.0000018162
 Unscaled step for mode  108=        0.0000002966
 Unscaled step for mode  109=       -0.0000052081
 Unscaled step for mode  110=        0.0011129525
 Unscaled step for mode  111=       -0.0000063554
 Unscaled step for mode  112=       -0.0021590932
 Unscaled step for mode  113=       -0.0060256953
 Unscaled step for mode  114=       -0.2180261602
 Largest modulus ratio of non-zero e/values=           204.7345896    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.578856E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.181582E-14    0.100682E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.892190E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.969277E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.502689E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.244610E-15    0.974084E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.799789E-05    0.740735E+03  0.107972E-07 0.100000E-04    0.994785E+00
   8   -0.738946E-05    0.674424E+03  0.109567E-07 0.100000E-04    0.992768E+00
   9   -0.288061E-05    0.628499E+03  0.458332E-08 0.100000E-04    0.985275E+00
  10    0.310468E-05    0.602673E+03 -0.515151E-08 0.100000E-04    0.968797E+00
  11   -0.215825E-05    0.587193E+03  0.367554E-08 0.100000E-04    0.982317E+00
  12   -0.792976E-05    0.576235E+03  0.137613E-07 0.100000E-04    0.988494E+00
  13   -0.348449E-05    0.566930E+03  0.614625E-08 0.100000E-04    0.989459E+00
  14    0.392628E-05    0.485924E+03 -0.808003E-08 0.100000E-04    0.994654E+00
  15    0.219277E-05    0.462414E+03 -0.474200E-08 0.100000E-04    0.994691E+00
  16    0.741419E-05    0.460590E+03 -0.160971E-07 0.100000E-04    0.991831E+00
  17    0.388541E-05    0.441682E+03 -0.879686E-08 0.100000E-04    0.975620E+00
  18    0.419614E-05    0.428939E+03 -0.978262E-08 0.100000E-04    0.992843E+00
  19   -0.201167E-04    0.422099E+03  0.476587E-07 0.100000E-04    0.995404E+00
  20    0.396854E-05    0.408546E+03 -0.971380E-08 0.100000E-04    0.991874E+00
  21    0.449160E-05    0.396823E+03 -0.113189E-07 0.100000E-04    0.991948E+00
  22   -0.122020E-04    0.388420E+03  0.314144E-07 0.100000E-04    0.997468E+00
  23    0.228697E-05    0.368995E+03 -0.619783E-08 0.100000E-04    0.946499E+00
  24   -0.665583E-05    0.360840E+03  0.184454E-07 0.100000E-04    0.997642E+00
  25   -0.241650E-04    0.349974E+03  0.690481E-07 0.100000E-04    0.997480E+00
  26   -0.365586E-04    0.335000E+03  0.109130E-06 0.100000E-04    0.997787E+00
  27   -0.175259E-04    0.327734E+03  0.534760E-07 0.100000E-04    0.999210E+00
  28    0.113693E-04    0.321700E+03 -0.353414E-07 0.100000E-04    0.998465E+00
  29    0.309415E-04    0.319571E+03 -0.968219E-07 0.100000E-04    0.991845E+00
  30   -0.238359E-04    0.310544E+03  0.767555E-07 0.100000E-04    0.992120E+00
  31   -0.238508E-04    0.302187E+03  0.789273E-07 0.100000E-04    0.996984E+00
  32   -0.117331E-04    0.289742E+03  0.404951E-07 0.100000E-04    0.998928E+00
  33    0.154197E-04    0.278355E+03 -0.553959E-07 0.100000E-04    0.991630E+00
  34   -0.187199E-04    0.271689E+03  0.689021E-07 0.100000E-04    0.992309E+00
  35    0.255664E-04    0.267786E+03 -0.954730E-07 0.100000E-04    0.995484E+00
  36    0.249530E-04    0.264729E+03 -0.942586E-07 0.100000E-04    0.998614E+00
  37    0.211225E-04    0.261762E+03 -0.806936E-07 0.100000E-04    0.998341E+00
  38    0.529461E-05    0.253763E+03 -0.208644E-07 0.100000E-04    0.992608E+00
  39   -0.221141E-04    0.241744E+03  0.914772E-07 0.100000E-04    0.997279E+00
  40   -0.303557E-04    0.239720E+03  0.126630E-06 0.100000E-04    0.995632E+00
  41   -0.487495E-04    0.233898E+03  0.208422E-06 0.100000E-04    0.999646E+00
  42   -0.213147E-04    0.227823E+03  0.935583E-07 0.100000E-04    0.996699E+00
  43   -0.205188E-04    0.217861E+03  0.941832E-07 0.100000E-04    0.993391E+00
  44   -0.417319E-04    0.214579E+03  0.194483E-06 0.100000E-04    0.999155E+00
  45    0.606017E-05    0.213046E+03 -0.284454E-07 0.100000E-04    0.960660E+00
  46    0.354063E-04    0.207221E+03 -0.170862E-06 0.100000E-04    0.999564E+00
  47   -0.269573E-04    0.203440E+03  0.132507E-06 0.100000E-04    0.994289E+00
  48    0.667117E-05    0.196501E+03 -0.339498E-07 0.100000E-04    0.981110E+00
  49    0.315356E-04    0.194867E+03 -0.161832E-06 0.100000E-04    0.996339E+00
  50   -0.692563E-05    0.191338E+03  0.361957E-07 0.100000E-04    0.937443E+00
  51   -0.184633E-04    0.183211E+03  0.100776E-06 0.100000E-04    0.998088E+00
  52   -0.791477E-05    0.174140E+03  0.454507E-07 0.100000E-04    0.991788E+00
  53   -0.152702E-04    0.172312E+03  0.886195E-07 0.100000E-04    0.995179E+00
  54   -0.245170E-04    0.167814E+03  0.146096E-06 0.100000E-04    0.999617E+00
  55    0.237109E-04    0.164053E+03 -0.144533E-06 0.100000E-04    0.999330E+00
  56   -0.773536E-05    0.157725E+03  0.490432E-07 0.100000E-04    0.997476E+00
  57   -0.161108E-04    0.154513E+03  0.104269E-06 0.100000E-04    0.991094E+00
  58    0.276237E-04    0.151980E+03 -0.181758E-06 0.100000E-04    0.999814E+00
  59   -0.729530E-05    0.147585E+03  0.494311E-07 0.100000E-04    0.988201E+00
  60   -0.251596E-04    0.143489E+03  0.175341E-06 0.100000E-04    0.999099E+00
  61    0.361328E-04    0.137546E+03 -0.262697E-06 0.100000E-04    0.988956E+00
  62    0.233554E-04    0.135934E+03 -0.171815E-06 0.100000E-04    0.997007E+00
  63   -0.163044E-04    0.130505E+03  0.124933E-06 0.100000E-04    0.984178E+00
  64   -0.415494E-04    0.128546E+03  0.323225E-06 0.100000E-04    0.995427E+00
  65   -0.238089E-04    0.126546E+03  0.188145E-06 0.100000E-04    0.988022E+00
  66   -0.100016E-04    0.125002E+03  0.800116E-07 0.100000E-04    0.997581E+00
  67   -0.165454E-04    0.119912E+03  0.137979E-06 0.100000E-04    0.993887E+00
  68   -0.852888E-05    0.118145E+03  0.721899E-07 0.100000E-04    0.996118E+00
  69   -0.874417E-05    0.117113E+03  0.746645E-07 0.100000E-04    0.981610E+00
  70   -0.330635E-04    0.110477E+03  0.299279E-06 0.100000E-04    0.992480E+00
  71    0.720685E-05    0.107198E+03 -0.672296E-07 0.100000E-04    0.991344E+00
  72    0.820960E-04    0.104473E+03 -0.785814E-06 0.100000E-04    0.994893E+00
  73    0.290031E-04    0.103005E+03 -0.281570E-06 0.100000E-04    0.999274E+00
  74   -0.219764E-04    0.996711E+02  0.220489E-06 0.100000E-04    0.996072E+00
  75   -0.829279E-04    0.958627E+02  0.865070E-06 0.100000E-04    0.999416E+00
  76    0.225603E-04    0.940372E+02 -0.239908E-06 0.100000E-04    0.987587E+00
  77    0.440933E-04    0.932550E+02 -0.472825E-06 0.100000E-04    0.989836E+00
  78    0.156960E-04    0.909171E+02 -0.172641E-06 0.100000E-04    0.997102E+00
  79    0.633585E-05    0.890620E+02 -0.711397E-07 0.100000E-04    0.995572E+00
  80   -0.201517E-04    0.853178E+02  0.236196E-06 0.100000E-04    0.993337E+00
  81   -0.292233E-04    0.808658E+02  0.361380E-06 0.100000E-04    0.999287E+00
  82   -0.184761E-04    0.800669E+02  0.230758E-06 0.100000E-04    0.993458E+00
  83    0.135520E-04    0.781534E+02 -0.173402E-06 0.100000E-04    0.981891E+00
  84    0.595275E-04    0.731219E+02 -0.814086E-06 0.100000E-04    0.989941E+00
  85   -0.228962E-04    0.726801E+02  0.315027E-06 0.100000E-04    0.991885E+00
  86   -0.208052E-04    0.681785E+02  0.305157E-06 0.100000E-04    0.986673E+00
  87    0.470582E-04    0.653689E+02 -0.719887E-06 0.100000E-04    0.993126E+00
  88    0.177288E-04    0.623802E+02 -0.284206E-06 0.100000E-04    0.990943E+00
  89    0.841564E-05    0.599701E+02 -0.140330E-06 0.100000E-04    0.959947E+00
  90   -0.494545E-04    0.593907E+02  0.832698E-06 0.100000E-04    0.995670E+00
  91    0.545024E-04    0.587490E+02 -0.927716E-06 0.100000E-04    0.983830E+00
  92    0.605708E-04    0.560288E+02 -0.108107E-05 0.100000E-04    0.992744E+00
  93   -0.160830E-04    0.525567E+02  0.306012E-06 0.100000E-04    0.978496E+00
  94   -0.570649E-04    0.522922E+02  0.109127E-05 0.100000E-04    0.996768E+00
  95    0.820922E-05    0.500138E+02 -0.164139E-06 0.100000E-04    0.948240E+00
  96    0.967643E-05    0.468785E+02 -0.206415E-06 0.100000E-04    0.948883E+00
  97    0.404212E-04    0.429697E+02 -0.940689E-06 0.100000E-04    0.976864E+00
  98   -0.574440E-04    0.406932E+02  0.141164E-05 0.100000E-04    0.991823E+00
  99   -0.117144E-03    0.378223E+02  0.309722E-05 0.100000E-04    0.993780E+00
 100   -0.782577E-04    0.364180E+02  0.214887E-05 0.100000E-04    0.999089E+00
 101   -0.226082E-04    0.332345E+02  0.680264E-06 0.100000E-04    0.947304E+00
 102    0.111992E-03    0.287863E+02 -0.389046E-05 0.100000E-04    0.993842E+00
 103   -0.486966E-04    0.285099E+02  0.170806E-05 0.100000E-04    0.998928E+00
 104   -0.142609E-03    0.266369E+02  0.535380E-05 0.100000E-04    0.991156E+00
 105   -0.735841E-04    0.232087E+02  0.317053E-05 0.100000E-04    0.992396E+00
 106    0.612217E-04    0.210625E+02 -0.290666E-05 0.100000E-04    0.985968E+00
 107   -0.370593E-04    0.204054E+02  0.181615E-05 0.100000E-04    0.904502E+00
 108   -0.495207E-05    0.166950E+02  0.296620E-06 0.109000E-04    0.425674E-01
 109    0.721267E-04    0.138491E+02 -0.520805E-05 0.100000E-04    0.994632E+00
 110   -0.136216E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.533814E+00
 111    0.638444E-04    0.100457E+02 -0.635540E-05 0.100000E-04    0.998869E+00
 112    0.183721E-01    0.850911E+01 -0.188395E-04 0.188395E-04    0.252587E+00
 113    0.375717E-01    0.623503E+01 -0.468878E-04 0.468878E-04    0.131424E+00
 114   -0.828193E+00    0.361803E+01 -0.400000E-03 0.400000E-03    0.216936E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2180261602    

 Beginning of optimization cycle  443.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3229302222
 potential> RMS force:                                               0.0778101448   |gradient|=.8307850045    
 Eigenvalues of the Hessian matrix:
   740.80334    674.43013    628.51584    602.65469    587.18468    576.27544 
   566.92357    485.95086    462.39102    460.58366    441.68530    428.93417 
   422.09966    408.54814    396.81879    388.41309    369.00779    360.83319 
   349.96567    334.99763    327.75321    321.70455    319.55781    310.53048 
   302.16816    289.75367    278.35321    271.70149    267.79403    264.73083 
   261.78694    253.75834    241.73913    239.73253    233.89143    227.81519 
   217.84149    214.58526    213.05197    207.22406    203.43642    196.48979 
   194.86322    191.33670    183.20279    174.13503    172.31392    167.81827 
   164.04251    157.71324    154.51723    151.98602    147.57452    143.49040 
   137.55066    135.93305    130.50360    128.55019    126.55013    124.99482 
   119.91355    118.14533    117.11259    110.47348    107.19332    104.47048 
   103.00277     99.67015     95.86611     94.04293     93.23740     90.92040 
    89.05523     85.32071     80.86511     80.06950     78.15186     73.12606 
    72.68295     68.17708     65.36093     62.36833     59.97054     59.38987 
    58.74156     56.02804     52.55594     52.29098     50.01397     46.87106 
    42.97220     40.69611     37.82482     36.41934     33.22178     28.78631 
    28.50868     26.62983     23.21064     21.06617     20.39781     16.69303 
    13.84967     12.23909     10.04682      8.50833      6.22632      3.61219 
overlap for current and previous eigenvector    109 is        -0.9999998039
overlap for current and previous eigenvector    110 is         0.9999997187
overlap for current and previous eigenvector    111 is        -0.9999997688
overlap for current and previous eigenvector    112 is         0.9999993658
overlap for current and previous eigenvector    113 is        -0.9999991177
overlap for current and previous eigenvector    114 is        -0.9999996008
J1,K1,R1,R2,RAT=   7   7   -0.3733894403E-02     2.003549065        0.9962661056    
FOB,PFOB,DIAG,PSTEP=   -0.8027760129E-05   -0.7997894077E-05     740.8033364        0.1079724250E-07
J1,K1,R1,R2,RAT=   8   8   -0.1180403177E-01     2.011786186        0.9881959682    
FOB,PFOB,DIAG,PSTEP=   -0.7476689329E-05   -0.7389463094E-05     674.4301296        0.1095670063E-07
J1,K1,R1,R2,RAT=   9   9   -0.2513684503E-01     2.025083166        0.9748631550    
FOB,PFOB,DIAG,PSTEP=   -0.2953022220E-05   -0.2880610809E-05     628.5158431        0.4583318236E-08
J1,K1,R1,R2,RAT=  10  10    0.1937854801E-01     1.980683543        0.9806214520    
FOB,PFOB,DIAG,PSTEP=    0.3044517787E-05    0.3104680112E-05     602.6546940       -0.5151513396E-08
J1,K1,R1,R2,RAT=  11  11   -0.3524213091E-02     2.003553563        0.9964757869    
FOB,PFOB,DIAG,PSTEP=   -0.2165857311E-05   -0.2158251285E-05     587.1846765        0.3675538037E-08
J1,K1,R1,R2,RAT= 109 109     1.998225737        0.1687523238E-02    0.9982257372    
FOB,PFOB,DIAG,PSTEP=   -0.7200493205E-04    0.7212665273E-04     13.84966716       -0.5208051583E-05
J1,K1,R1,R2,RAT= 110 110   -0.4399636215         223.0310603        0.5600363785    
FOB,PFOB,DIAG,PSTEP=   -0.1367540637E-01   -0.1362155884E-01     12.23908686        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.993574888        0.6202490401E-02    0.9935748875    
FOB,PFOB,DIAG,PSTEP=   -0.6344840223E-04    0.6384444084E-04     10.04681896       -0.6355399503E-05
J1,K1,R1,R2,RAT= 112 112   -0.9667114386         230.1987568        0.3328856143E-01
FOB,PFOB,DIAG,PSTEP=    0.1852701026E-01    0.1837205396E-01     8.508326086       -0.1883945141E-04
J1,K1,R1,R2,RAT= 113 113     258.1867493       -0.7916732621        0.2083267379    
FOB,PFOB,DIAG,PSTEP=   -0.3780286871E-01    0.3757174891E-01     6.226318948       -0.4688779488E-04
J1,K1,R1,R2,RAT= 114 114    -1147.364350        0.9774525410        0.2254745902E-01
FOB,PFOB,DIAG,PSTEP=    0.8296048780       -0.8281925818         3.612186181       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002      0.00001     -0.00002     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00003      0.00001     -0.00003 
     0.00004      0.00002     -0.00002     -0.00004     -0.00002     -0.00001 
    -0.00002     -0.00001     -0.00001     -0.00003      0.00001     -0.00008 
     0.00003     -0.00002      0.00008     -0.00002      0.00004     -0.00002 
    -0.00001      0.00002      0.00003     -0.00002      0.00001      0.00006 
    -0.00002      0.00002      0.00005     -0.00002      0.00001      0.00005 
    -0.00005      0.00006      0.00002      0.00006     -0.00001     -0.00001 
     0.00004     -0.00006     -0.00012     -0.00008     -0.00002      0.00011 
    -0.00005     -0.00014      0.00007      0.00006      0.00004      0.00000 
    -0.00007     -0.01368     -0.00006      0.01853     -0.03780      0.82960 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4026882114
 Log product of positive Hessian eigenvalues =          519.3438832673
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6121861811
 Unscaled step for mode    7=        0.0000000108
 Unscaled step for mode    8=        0.0000000111
 Unscaled step for mode    9=        0.0000000047
 Unscaled step for mode   10=       -0.0000000051
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000140
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000083
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000086
 Unscaled step for mode   18=       -0.0000000098
 Unscaled step for mode   19=        0.0000000476
 Unscaled step for mode   20=       -0.0000000095
 Unscaled step for mode   21=       -0.0000000111
 Unscaled step for mode   22=        0.0000000315
 Unscaled step for mode   23=       -0.0000000065
 Unscaled step for mode   24=        0.0000000186
 Unscaled step for mode   25=        0.0000000691
 Unscaled step for mode   26=        0.0000001090
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000352
 Unscaled step for mode   29=       -0.0000000970
 Unscaled step for mode   30=        0.0000000770
 Unscaled step for mode   31=        0.0000000796
 Unscaled step for mode   32=        0.0000000407
 Unscaled step for mode   33=       -0.0000000551
 Unscaled step for mode   34=        0.0000000690
 Unscaled step for mode   35=       -0.0000000959
 Unscaled step for mode   36=       -0.0000000947
 Unscaled step for mode   37=       -0.0000000805
 Unscaled step for mode   38=       -0.0000000211
 Unscaled step for mode   39=        0.0000000914
 Unscaled step for mode   40=        0.0000001273
 Unscaled step for mode   41=        0.0000002088
 Unscaled step for mode   42=        0.0000000943
 Unscaled step for mode   43=        0.0000000946
 Unscaled step for mode   44=        0.0000001958
 Unscaled step for mode   45=       -0.0000000286
 Unscaled step for mode   46=       -0.0000001714
 Unscaled step for mode   47=        0.0000001326
 Unscaled step for mode   48=       -0.0000000335
 Unscaled step for mode   49=       -0.0000001628
 Unscaled step for mode   50=        0.0000000342
 Unscaled step for mode   51=        0.0000001010
 Unscaled step for mode   52=       -0.0000000458
 Unscaled step for mode   53=        0.0000000885
 Unscaled step for mode   54=        0.0000001469
 Unscaled step for mode   55=        0.0000001448
 Unscaled step for mode   56=        0.0000000488
 Unscaled step for mode   57=       -0.0000001043
 Unscaled step for mode   58=        0.0000001820
 Unscaled step for mode   59=       -0.0000000494
 Unscaled step for mode   60=        0.0000001755
 Unscaled step for mode   61=       -0.0000002609
 Unscaled step for mode   62=       -0.0000001714
 Unscaled step for mode   63=        0.0000001218
 Unscaled step for mode   64=        0.0000003238
 Unscaled step for mode   65=        0.0000001863
 Unscaled step for mode   66=        0.0000000784
 Unscaled step for mode   67=        0.0000001399
 Unscaled step for mode   68=        0.0000000718
 Unscaled step for mode   69=        0.0000000740
 Unscaled step for mode   70=        0.0000003019
 Unscaled step for mode   71=       -0.0000000674
 Unscaled step for mode   72=        0.0000007857
 Unscaled step for mode   73=       -0.0000002807
 Unscaled step for mode   74=        0.0000002181
 Unscaled step for mode   75=       -0.0000008639
 Unscaled step for mode   76=        0.0000002337
 Unscaled step for mode   77=       -0.0000004750
 Unscaled step for mode   78=        0.0000001762
 Unscaled step for mode   79=        0.0000000700
 Unscaled step for mode   80=       -0.0000002368
 Unscaled step for mode   81=       -0.0000003626
 Unscaled step for mode   82=        0.0000002348
 Unscaled step for mode   83=       -0.0000001760
 Unscaled step for mode   84=       -0.0000008102
 Unscaled step for mode   85=        0.0000003056
 Unscaled step for mode   86=       -0.0000003053
 Unscaled step for mode   87=       -0.0000007189
 Unscaled step for mode   88=        0.0000002841
 Unscaled step for mode   89=       -0.0000001478
 Unscaled step for mode   90=       -0.0000008286
 Unscaled step for mode   91=        0.0000009275
 Unscaled step for mode   92=       -0.0000010870
 Unscaled step for mode   93=       -0.0000003168
 Unscaled step for mode   94=       -0.0000010860
 Unscaled step for mode   95=        0.0000001509
 Unscaled step for mode   96=        0.0000002078
 Unscaled step for mode   97=       -0.0000009226
 Unscaled step for mode   98=        0.0000014066
 Unscaled step for mode   99=        0.0000030754
 Unscaled step for mode  100=        0.0000021483
 Unscaled step for mode  101=        0.0000006498
 Unscaled step for mode  102=       -0.0000038804
 Unscaled step for mode  103=        0.0000017170
 Unscaled step for mode  104=        0.0000053394
 Unscaled step for mode  105=       -0.0000031750
 Unscaled step for mode  106=       -0.0000028808
 Unscaled step for mode  107=       -0.0000019559
 Unscaled step for mode  108=       -0.0000001847
 Unscaled step for mode  109=        0.0000051990
 Unscaled step for mode  110=        0.0011173537
 Unscaled step for mode  111=        0.0000063153
 Unscaled step for mode  112=       -0.0021775050
 Unscaled step for mode  113=        0.0060712398
 Unscaled step for mode  114=        0.2186849099
 Largest modulus ratio of non-zero e/values=           205.0844833    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.128782E-14    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.763387E-15    0.100682E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.382723E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.297715E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.594278E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.189478E-15    0.974086E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.802776E-05    0.740803E+03  0.108366E-07 0.100000E-04    0.996266E+00
   8   -0.747669E-05    0.674430E+03  0.110859E-07 0.100000E-04    0.988196E+00
   9   -0.295302E-05    0.628516E+03  0.469841E-08 0.100000E-04    0.974863E+00
  10    0.304452E-05    0.602655E+03 -0.505184E-08 0.100000E-04    0.980621E+00
  11   -0.216586E-05    0.587185E+03  0.368855E-08 0.100000E-04    0.996476E+00
  12   -0.807526E-05    0.576275E+03  0.140128E-07 0.100000E-04    0.981653E+00
  13   -0.352705E-05    0.566924E+03  0.622139E-08 0.100000E-04    0.987787E+00
  14    0.402813E-05    0.485951E+03 -0.828917E-08 0.100000E-04    0.974060E+00
  15    0.222722E-05    0.462391E+03 -0.481674E-08 0.100000E-04    0.984288E+00
  16    0.737194E-05    0.460584E+03 -0.160056E-07 0.100000E-04    0.994301E+00
  17    0.379285E-05    0.441685E+03 -0.858721E-08 0.100000E-04    0.976160E+00
  18    0.418477E-05    0.428934E+03 -0.975620E-08 0.100000E-04    0.997289E+00
  19   -0.201025E-04    0.422100E+03  0.476251E-07 0.100000E-04    0.999295E+00
  20    0.390041E-05    0.408548E+03 -0.954701E-08 0.100000E-04    0.982825E+00
  21    0.441560E-05    0.396819E+03 -0.111275E-07 0.100000E-04    0.983080E+00
  22   -0.122252E-04    0.388413E+03  0.314748E-07 0.100000E-04    0.998095E+00
  23    0.239739E-05    0.369008E+03 -0.649687E-08 0.100000E-04    0.951717E+00
  24   -0.671098E-05    0.360833E+03  0.185986E-07 0.100000E-04    0.991713E+00
  25   -0.241909E-04    0.349966E+03  0.691237E-07 0.100000E-04    0.998927E+00
  26   -0.365140E-04    0.334998E+03  0.108998E-06 0.100000E-04    0.998781E+00
  27   -0.175304E-04    0.327753E+03  0.534867E-07 0.100000E-04    0.999742E+00
  28    0.113145E-04    0.321705E+03 -0.351706E-07 0.100000E-04    0.995154E+00
  29    0.309944E-04    0.319558E+03 -0.969914E-07 0.100000E-04    0.998291E+00
  30   -0.239193E-04    0.310530E+03  0.770272E-07 0.100000E-04    0.996502E+00
  31   -0.240420E-04    0.302168E+03  0.795651E-07 0.100000E-04    0.991982E+00
  32   -0.117877E-04    0.289754E+03  0.406819E-07 0.100000E-04    0.995349E+00
  33    0.153357E-04    0.278353E+03 -0.550943E-07 0.100000E-04    0.994551E+00
  34   -0.187340E-04    0.271701E+03  0.689506E-07 0.100000E-04    0.999251E+00
  35    0.256733E-04    0.267794E+03 -0.958695E-07 0.100000E-04    0.995818E+00
  36    0.250682E-04    0.264731E+03 -0.946933E-07 0.100000E-04    0.995382E+00
  37    0.210868E-04    0.261787E+03 -0.805494E-07 0.100000E-04    0.998119E+00
  38    0.535501E-05    0.253758E+03 -0.211028E-07 0.100000E-04    0.988591E+00
  39   -0.220858E-04    0.241739E+03  0.913622E-07 0.100000E-04    0.998722E+00
  40   -0.305289E-04    0.239733E+03  0.127346E-06 0.100000E-04    0.994295E+00
  41   -0.488442E-04    0.233891E+03  0.208833E-06 0.100000E-04    0.998057E+00
  42   -0.214834E-04    0.227815E+03  0.943018E-07 0.100000E-04    0.992087E+00
  43   -0.206084E-04    0.217841E+03  0.946027E-07 0.100000E-04    0.995634E+00
  44   -0.420172E-04    0.214585E+03  0.195806E-06 0.100000E-04    0.993165E+00
  45    0.609018E-05    0.213052E+03 -0.285854E-07 0.100000E-04    0.995048E+00
  46    0.355247E-04    0.207224E+03 -0.171431E-06 0.100000E-04    0.996655E+00
  47   -0.269720E-04    0.203436E+03  0.132582E-06 0.100000E-04    0.999452E+00
  48    0.658422E-05    0.196490E+03 -0.335092E-07 0.100000E-04    0.986965E+00
  49    0.317149E-04    0.194863E+03 -0.162755E-06 0.100000E-04    0.994314E+00
  50   -0.653963E-05    0.191337E+03  0.341786E-07 0.100000E-04    0.944264E+00
  51   -0.185125E-04    0.183203E+03  0.101049E-06 0.100000E-04    0.997332E+00
  52    0.797512E-05    0.174135E+03 -0.457985E-07 0.100000E-04    0.992375E+00
  53   -0.152419E-04    0.172314E+03  0.884541E-07 0.100000E-04    0.998125E+00
  54   -0.246444E-04    0.167818E+03  0.146852E-06 0.100000E-04    0.994804E+00
  55   -0.237523E-04    0.164043E+03  0.144793E-06 0.100000E-04    0.998257E+00
  56   -0.770291E-05    0.157713E+03  0.488412E-07 0.100000E-04    0.995804E+00
  57    0.161157E-04    0.154517E+03 -0.104297E-06 0.100000E-04    0.999698E+00
  58   -0.276571E-04    0.151986E+03  0.181971E-06 0.100000E-04    0.998790E+00
  59    0.728493E-05    0.147575E+03 -0.493644E-07 0.100000E-04    0.998579E+00
  60   -0.251824E-04    0.143490E+03  0.175499E-06 0.100000E-04    0.999092E+00
  61    0.358882E-04    0.137551E+03 -0.260909E-06 0.100000E-04    0.993157E+00
  62    0.232964E-04    0.135933E+03 -0.171381E-06 0.100000E-04    0.997475E+00
  63   -0.158983E-04    0.130504E+03  0.121823E-06 0.100000E-04    0.975096E+00
  64   -0.416212E-04    0.128550E+03  0.323774E-06 0.100000E-04    0.998272E+00
  65   -0.235736E-04    0.126550E+03  0.186279E-06 0.100000E-04    0.990046E+00
  66   -0.979692E-05    0.124995E+03  0.783786E-07 0.100000E-04    0.979533E+00
  67   -0.167770E-04    0.119914E+03  0.139909E-06 0.100000E-04    0.985998E+00
  68   -0.848373E-05    0.118145E+03  0.718076E-07 0.100000E-04    0.994701E+00
  69   -0.866934E-05    0.117113E+03  0.740257E-07 0.100000E-04    0.991442E+00
  70   -0.333471E-04    0.110473E+03  0.301856E-06 0.100000E-04    0.991424E+00
  71    0.722387E-05    0.107193E+03 -0.673911E-07 0.100000E-04    0.997638E+00
  72   -0.820836E-04    0.104470E+03  0.785711E-06 0.100000E-04    0.999849E+00
  73    0.289108E-04    0.103003E+03 -0.280679E-06 0.100000E-04    0.996817E+00
  74   -0.217370E-04    0.996702E+02  0.218089E-06 0.100000E-04    0.989106E+00
  75    0.828145E-04    0.958661E+02 -0.863856E-06 0.100000E-04    0.998561E+00
  76   -0.219748E-04    0.940429E+02  0.233668E-06 0.100000E-04    0.973930E+00
  77    0.442921E-04    0.932374E+02 -0.475046E-06 0.100000E-04    0.995492E+00
  78   -0.160189E-04    0.909204E+02  0.176186E-06 0.100000E-04    0.979431E+00
  79   -0.623084E-05    0.890552E+02  0.699660E-07 0.100000E-04    0.983425E+00
  80    0.202046E-04    0.853207E+02 -0.236808E-06 0.100000E-04    0.997374E+00
  81    0.293204E-04    0.808651E+02 -0.362584E-06 0.100000E-04    0.996677E+00
  82   -0.188026E-04    0.800695E+02  0.234828E-06 0.100000E-04    0.982330E+00
  83    0.137569E-04    0.781519E+02 -0.176027E-06 0.100000E-04    0.984879E+00
  84    0.592432E-04    0.731261E+02 -0.810151E-06 0.100000E-04    0.995109E+00
  85   -0.222146E-04    0.726830E+02  0.305637E-06 0.100000E-04    0.970152E+00
  86    0.208161E-04    0.681771E+02 -0.305325E-06 0.100000E-04    0.999472E+00
  87    0.469876E-04    0.653609E+02 -0.718894E-06 0.100000E-04    0.998499E+00
  88   -0.177163E-04    0.623683E+02  0.284059E-06 0.100000E-04    0.999293E+00
  89    0.886398E-05    0.599705E+02 -0.147806E-06 0.100000E-04    0.946726E+00
  90    0.492082E-04    0.593899E+02 -0.828563E-06 0.100000E-04    0.995020E+00
  91   -0.544855E-04    0.587416E+02  0.927547E-06 0.100000E-04    0.999691E+00
  92    0.608999E-04    0.560280E+02 -0.108695E-05 0.100000E-04    0.994566E+00
  93    0.166510E-04    0.525559E+02 -0.316825E-06 0.100000E-04    0.964681E+00
  94    0.567854E-04    0.522910E+02 -0.108595E-05 0.100000E-04    0.995101E+00
  95   -0.754633E-05    0.500140E+02  0.150884E-06 0.100000E-04    0.919244E+00
  96   -0.974071E-05    0.468711E+02  0.207819E-06 0.100000E-04    0.993356E+00
  97    0.396441E-04    0.429722E+02 -0.922553E-06 0.100000E-04    0.980662E+00
  98   -0.572441E-04    0.406961E+02  0.140662E-05 0.100000E-04    0.996377E+00
  99   -0.116328E-03    0.378248E+02  0.307545E-05 0.100000E-04    0.992904E+00
 100   -0.782383E-04    0.364193E+02  0.214826E-05 0.100000E-04    0.999681E+00
 101   -0.215882E-04    0.332218E+02  0.649820E-06 0.100000E-04    0.954865E+00
 102    0.111703E-03    0.287863E+02 -0.388043E-05 0.100000E-04    0.997422E+00
 103   -0.489490E-04    0.285087E+02  0.171699E-05 0.100000E-04    0.994817E+00
 104   -0.142189E-03    0.266298E+02  0.533945E-05 0.100000E-04    0.997053E+00
 105    0.736936E-04    0.232106E+02 -0.317499E-05 0.100000E-04    0.998512E+00
 106    0.606876E-04    0.210662E+02 -0.288081E-05 0.100000E-04    0.990934E+00
 107    0.398966E-04    0.203978E+02 -0.195593E-05 0.100000E-04    0.923409E+00
 108    0.308256E-05    0.166930E+02 -0.184662E-06 0.100000E-04    0.622434E+00
 109   -0.720049E-04    0.138497E+02  0.519904E-05 0.100000E-04    0.998226E+00
 110   -0.136754E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.560036E+00
 111   -0.634484E-04    0.100468E+02  0.631527E-05 0.100000E-04    0.993575E+00
 112    0.185270E-01    0.850833E+01 -0.205350E-04 0.205350E-04    0.332886E-01
 113   -0.378029E-01    0.622632E+01  0.422413E-04 0.422413E-04    0.208327E+00
 114    0.829605E+00    0.361219E+01  0.400000E-03 0.400000E-03    0.225475E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2186849099    

 Beginning of optimization cycle  444.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3226001995
 potential> RMS force:                                               0.0779434857   |gradient|=.8322086963    
 Eigenvalues of the Hessian matrix:
   740.87157    674.43661    628.53255    602.63569    587.17636    576.31575 
   566.91760    485.97800    462.36816    460.57695    441.68913    428.92909 
   422.09998    408.54995    396.81415    388.40633    369.02021    360.82616 
   349.95736    334.99541    327.77183    321.70925    319.54428    310.51738 
   302.14908    289.76494    278.35146    271.71384    267.80167    264.73228 
   261.81131    253.75330    241.73399    239.74524    233.88500    227.80721 
   217.82224    214.59133    213.05821    207.22664    203.43295    196.47854 
   194.85963    191.33505    183.19395    174.13049    172.31534    167.82197 
   164.03255    157.70125    154.52140    151.99161    147.56414    143.49182 
   137.55560    135.93253    130.50243    128.55388    126.55474    124.98781 
   119.91467    118.14568    117.11247    110.46973    107.18914    104.46846 
   103.00073     99.66926     95.86967     94.04859     93.21979     90.92359 
    89.04848     85.32356     80.86438     80.07201     78.15034     73.13038 
    72.68594     68.17584     65.35315     62.35644     59.97091     59.38923 
    58.73414     56.02736     52.55525     52.28981     50.01411     46.86372 
    42.97463     40.69904     37.82739     36.42090     33.20917     28.78635 
    28.50745     26.62279     23.21247     21.06994     20.39016     16.69106 
    13.85027     12.23908     10.04792      8.50744      6.21761      3.60635 
overlap for current and previous eigenvector    109 is         0.9999998096
overlap for current and previous eigenvector    110 is        -0.9999997236
overlap for current and previous eigenvector    111 is        -0.9999997814
overlap for current and previous eigenvector    112 is         0.9999993702
overlap for current and previous eigenvector    113 is        -0.9999991311
overlap for current and previous eigenvector    114 is        -0.9999996234
J1,K1,R1,R2,RAT=   7   7   -0.5216340325E-02     2.005032141        0.9947836597    
FOB,PFOB,DIAG,PSTEP=   -0.8069639515E-05   -0.8027760129E-05     740.8715704        0.1083656044E-07
J1,K1,R1,R2,RAT=   8   8    0.7038253571E-02     1.992942521        0.9929425212    
FOB,PFOB,DIAG,PSTEP=   -0.7424065988E-05   -0.7476689329E-05     674.4366127        0.1108593611E-07
J1,K1,R1,R2,RAT=   9   9    0.1433177593E-01     1.985615070        0.9856150700    
FOB,PFOB,DIAG,PSTEP=   -0.2910699042E-05   -0.2953022220E-05     628.5325477        0.4698405381E-08
J1,K1,R1,R2,RAT=  10  10   -0.3044583739E-01     2.030508923        0.9695541626    
FOB,PFOB,DIAG,PSTEP=    0.3137207757E-05    0.3044517787E-05     602.6356853       -0.5051844477E-08
J1,K1,R1,R2,RAT=  11  11   -0.1738193473E-01     2.017410248        0.9826180653    
FOB,PFOB,DIAG,PSTEP=   -0.2203503569E-05   -0.2165857311E-05     587.1763641        0.3688545355E-08
J1,K1,R1,R2,RAT= 109 109    0.5024629248E-02     1.994888352        0.9948883517    
FOB,PFOB,DIAG,PSTEP=   -0.7164311822E-04   -0.7200493205E-04     13.85026978        0.5199037003E-05
J1,K1,R1,R2,RAT= 110 110     223.9412352       -0.4700213131        0.5299786869    
FOB,PFOB,DIAG,PSTEP=    0.1373293263E-01   -0.1367540637E-01     12.23907646        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.000510280       -0.7300400881E-03    0.9992699599    
FOB,PFOB,DIAG,PSTEP=    0.6349472720E-04   -0.6344840223E-04     10.04792303        0.6315272772E-05
J1,K1,R1,R2,RAT= 112 112   -0.7675406849         212.8680877        0.2324593151    
FOB,PFOB,DIAG,PSTEP=    0.1866109982E-01    0.1852701026E-01     8.507438119       -0.2053500204E-04
J1,K1,R1,R2,RAT= 113 113     288.7569773       -0.8881498763        0.1118501237    
FOB,PFOB,DIAG,PSTEP=    0.3803613199E-01   -0.3780286871E-01     6.217607249        0.4224125665E-04
J1,K1,R1,R2,RAT= 114 114    -1151.179388        0.9782199929        0.2178000708E-01
FOB,PFOB,DIAG,PSTEP=   -0.8310159982        0.8296048780         3.606346876        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00002      0.00003     -0.00001     -0.00003 
     0.00004      0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00003     -0.00001      0.00008 
    -0.00003     -0.00002      0.00008     -0.00002     -0.00004     -0.00002 
    -0.00001      0.00002      0.00003      0.00002      0.00001     -0.00006 
    -0.00002     -0.00002     -0.00005      0.00002      0.00001     -0.00005 
    -0.00006      0.00006      0.00002     -0.00006      0.00001      0.00001 
     0.00004     -0.00006     -0.00012     -0.00008      0.00002      0.00011 
     0.00005     -0.00014      0.00007     -0.00006     -0.00004      0.00001 
    -0.00007      0.01373      0.00006      0.01866      0.03804     -0.83102 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4024261278
 Log product of positive Hessian eigenvalues =          519.3393696777
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6063468763
 Unscaled step for mode    7=        0.0000000109
 Unscaled step for mode    8=        0.0000000110
 Unscaled step for mode    9=        0.0000000046
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000139
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000082
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000088
 Unscaled step for mode   18=       -0.0000000098
 Unscaled step for mode   19=        0.0000000478
 Unscaled step for mode   20=       -0.0000000096
 Unscaled step for mode   21=       -0.0000000112
 Unscaled step for mode   22=        0.0000000316
 Unscaled step for mode   23=       -0.0000000062
 Unscaled step for mode   24=        0.0000000186
 Unscaled step for mode   25=        0.0000000693
 Unscaled step for mode   26=        0.0000001092
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000352
 Unscaled step for mode   29=       -0.0000000978
 Unscaled step for mode   30=        0.0000000764
 Unscaled step for mode   31=        0.0000000793
 Unscaled step for mode   32=        0.0000000407
 Unscaled step for mode   33=       -0.0000000556
 Unscaled step for mode   34=        0.0000000695
 Unscaled step for mode   35=       -0.0000000954
 Unscaled step for mode   36=       -0.0000000946
 Unscaled step for mode   37=       -0.0000000807
 Unscaled step for mode   38=       -0.0000000213
 Unscaled step for mode   39=        0.0000000916
 Unscaled step for mode   40=        0.0000001279
 Unscaled step for mode   41=        0.0000002088
 Unscaled step for mode   42=        0.0000000940
 Unscaled step for mode   43=        0.0000000940
 Unscaled step for mode   44=        0.0000001957
 Unscaled step for mode   45=       -0.0000000297
 Unscaled step for mode   46=       -0.0000001715
 Unscaled step for mode   47=        0.0000001318
 Unscaled step for mode   48=       -0.0000000341
 Unscaled step for mode   49=       -0.0000001622
 Unscaled step for mode   50=        0.0000000363
 Unscaled step for mode   51=        0.0000001009
 Unscaled step for mode   52=        0.0000000462
 Unscaled step for mode   53=        0.0000000889
 Unscaled step for mode   54=        0.0000001468
 Unscaled step for mode   55=       -0.0000001449
 Unscaled step for mode   56=       -0.0000000490
 Unscaled step for mode   57=       -0.0000001052
 Unscaled step for mode   58=       -0.0000001819
 Unscaled step for mode   59=        0.0000000499
 Unscaled step for mode   60=        0.0000001756
 Unscaled step for mode   61=       -0.0000002637
 Unscaled step for mode   62=       -0.0000001709
 Unscaled step for mode   63=       -0.0000001238
 Unscaled step for mode   64=        0.0000003252
 Unscaled step for mode   65=       -0.0000001885
 Unscaled step for mode   66=        0.0000000786
 Unscaled step for mode   67=        0.0000001391
 Unscaled step for mode   68=        0.0000000721
 Unscaled step for mode   69=       -0.0000000753
 Unscaled step for mode   70=        0.0000002996
 Unscaled step for mode   71=        0.0000000668
 Unscaled step for mode   72=       -0.0000007897
 Unscaled step for mode   73=        0.0000002809
 Unscaled step for mode   74=        0.0000002189
 Unscaled step for mode   75=       -0.0000008643
 Unscaled step for mode   76=        0.0000002307
 Unscaled step for mode   77=        0.0000004798
 Unscaled step for mode   78=        0.0000001757
 Unscaled step for mode   79=        0.0000000703
 Unscaled step for mode   80=       -0.0000002352
 Unscaled step for mode   81=       -0.0000003628
 Unscaled step for mode   82=       -0.0000002333
 Unscaled step for mode   83=       -0.0000001728
 Unscaled step for mode   84=        0.0000008181
 Unscaled step for mode   85=        0.0000003080
 Unscaled step for mode   86=        0.0000003093
 Unscaled step for mode   87=        0.0000007240
 Unscaled step for mode   88=       -0.0000002867
 Unscaled step for mode   89=       -0.0000001422
 Unscaled step for mode   90=        0.0000008251
 Unscaled step for mode   91=        0.0000009423
 Unscaled step for mode   92=       -0.0000010790
 Unscaled step for mode   93=       -0.0000003231
 Unscaled step for mode   94=        0.0000010893
 Unscaled step for mode   95=       -0.0000001588
 Unscaled step for mode   96=       -0.0000002181
 Unscaled step for mode   97=       -0.0000009434
 Unscaled step for mode   98=        0.0000014176
 Unscaled step for mode   99=        0.0000030941
 Unscaled step for mode  100=        0.0000021465
 Unscaled step for mode  101=       -0.0000006847
 Unscaled step for mode  102=       -0.0000039042
 Unscaled step for mode  103=       -0.0000017153
 Unscaled step for mode  104=        0.0000053884
 Unscaled step for mode  105=       -0.0000031996
 Unscaled step for mode  106=        0.0000029179
 Unscaled step for mode  107=        0.0000017642
 Unscaled step for mode  108=       -0.0000003308
 Unscaled step for mode  109=        0.0000051727
 Unscaled step for mode  110=       -0.0011220549
 Unscaled step for mode  111=       -0.0000063192
 Unscaled step for mode  112=       -0.0021934935
 Unscaled step for mode  113=       -0.0061172582
 Unscaled step for mode  114=       -0.2193449523
 Largest modulus ratio of non-zero e/values=           205.4354714    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.686950E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.118286E-14    0.100682E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.502772E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.210986E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.375646E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.161560E-15    0.974088E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.806964E-05    0.740872E+03  0.108921E-07 0.100000E-04    0.994784E+00
   8   -0.742407E-05    0.674437E+03  0.110078E-07 0.100000E-04    0.992943E+00
   9   -0.291070E-05    0.628533E+03  0.463094E-08 0.100000E-04    0.985615E+00
  10    0.313721E-05    0.602636E+03 -0.520581E-08 0.100000E-04    0.969554E+00
  11   -0.220350E-05    0.587176E+03  0.375271E-08 0.100000E-04    0.982618E+00
  12   -0.798558E-05    0.576316E+03  0.138563E-07 0.100000E-04    0.988756E+00
  13   -0.349090E-05    0.566918E+03  0.615768E-08 0.100000E-04    0.989750E+00
  14    0.400841E-05    0.485978E+03 -0.824814E-08 0.100000E-04    0.994994E+00
  15    0.224081E-05    0.462368E+03 -0.484637E-08 0.100000E-04    0.993899E+00
  16    0.743147E-05    0.460577E+03 -0.161351E-07 0.100000E-04    0.991925E+00
  17    0.388415E-05    0.441689E+03 -0.879386E-08 0.100000E-04    0.975927E+00
  18    0.421394E-05    0.428929E+03 -0.982434E-08 0.100000E-04    0.993028E+00
  19   -0.201944E-04    0.422100E+03  0.478427E-07 0.100000E-04    0.995431E+00
  20    0.393149E-05    0.408550E+03 -0.962304E-08 0.100000E-04    0.992031E+00
  21    0.445006E-05    0.396814E+03 -0.112145E-07 0.100000E-04    0.992197E+00
  22   -0.122553E-04    0.388406E+03  0.315527E-07 0.100000E-04    0.997542E+00
  23    0.226974E-05    0.369020E+03 -0.615073E-08 0.100000E-04    0.946689E+00
  24   -0.672767E-05    0.360826E+03  0.186452E-07 0.100000E-04    0.997512E+00
  25   -0.242509E-04    0.349957E+03  0.692968E-07 0.100000E-04    0.997520E+00
  26   -0.365970E-04    0.334995E+03  0.109246E-06 0.100000E-04    0.997727E+00
  27   -0.175461E-04    0.327772E+03  0.535316E-07 0.100000E-04    0.999104E+00
  28    0.113335E-04    0.321709E+03 -0.352290E-07 0.100000E-04    0.998324E+00
  29    0.312450E-04    0.319544E+03 -0.977800E-07 0.100000E-04    0.991912E+00
  30   -0.237268E-04    0.310517E+03  0.764105E-07 0.100000E-04    0.991951E+00
  31   -0.239693E-04    0.302149E+03  0.793293E-07 0.100000E-04    0.996973E+00
  32   -0.117987E-04    0.289765E+03  0.407182E-07 0.100000E-04    0.999068E+00
  33    0.154632E-04    0.278351E+03 -0.555527E-07 0.100000E-04    0.991686E+00
  34   -0.188782E-04    0.271714E+03  0.694784E-07 0.100000E-04    0.992299E+00
  35    0.255599E-04    0.267802E+03 -0.954435E-07 0.100000E-04    0.995528E+00
  36    0.250348E-04    0.264732E+03 -0.945664E-07 0.100000E-04    0.998655E+00
  37    0.211196E-04    0.261811E+03 -0.806673E-07 0.100000E-04    0.998443E+00
  38    0.539433E-05    0.253753E+03 -0.212582E-07 0.100000E-04    0.992658E+00
  39   -0.221449E-04    0.241734E+03  0.916087E-07 0.100000E-04    0.997323E+00
  40   -0.306612E-04    0.239745E+03  0.127891E-06 0.100000E-04    0.995668E+00
  41   -0.488287E-04    0.233885E+03  0.208772E-06 0.100000E-04    0.999682E+00
  42   -0.214109E-04    0.227807E+03  0.939870E-07 0.100000E-04    0.996627E+00
  43   -0.204693E-04    0.217822E+03  0.939726E-07 0.100000E-04    0.993251E+00
  44   -0.419861E-04    0.214591E+03  0.195656E-06 0.100000E-04    0.999205E+00
  45    0.631992E-05    0.213058E+03 -0.296629E-07 0.100000E-04    0.962278E+00
  46    0.355415E-04    0.207227E+03 -0.171510E-06 0.100000E-04    0.999527E+00
  47   -0.268187E-04    0.203433E+03  0.131831E-06 0.100000E-04    0.994316E+00
  48    0.670870E-05    0.196479E+03 -0.341447E-07 0.100000E-04    0.981093E+00
  49    0.316011E-04    0.194860E+03 -0.162174E-06 0.100000E-04    0.996413E+00
  50   -0.694424E-05    0.191335E+03  0.362936E-07 0.100000E-04    0.938129E+00
  51   -0.184793E-04    0.183194E+03  0.100873E-06 0.100000E-04    0.998204E+00
  52   -0.804166E-05    0.174130E+03  0.461818E-07 0.100000E-04    0.991656E+00
  53   -0.153131E-04    0.172315E+03  0.888668E-07 0.100000E-04    0.995326E+00
  54   -0.246375E-04    0.167822E+03  0.146807E-06 0.100000E-04    0.999677E+00
  55    0.237661E-04    0.164033E+03 -0.144887E-06 0.100000E-04    0.999416E+00
  56    0.772298E-05    0.157701E+03 -0.489722E-07 0.100000E-04    0.997394E+00
  57    0.162561E-04    0.154521E+03 -0.105203E-06 0.100000E-04    0.991288E+00
  58    0.276506E-04    0.151992E+03 -0.181922E-06 0.100000E-04    0.999692E+00
  59   -0.736933E-05    0.147564E+03  0.499398E-07 0.100000E-04    0.988414E+00
  60   -0.252031E-04    0.143492E+03  0.175642E-06 0.100000E-04    0.999176E+00
  61    0.362788E-04    0.137556E+03 -0.263739E-06 0.100000E-04    0.989118E+00
  62    0.232269E-04    0.135933E+03 -0.170871E-06 0.100000E-04    0.997017E+00
  63    0.161514E-04    0.130502E+03 -0.123763E-06 0.100000E-04    0.984081E+00
  64   -0.418118E-04    0.128554E+03  0.325248E-06 0.100000E-04    0.995420E+00
  65    0.238511E-04    0.126555E+03 -0.188464E-06 0.100000E-04    0.988232E+00
  66   -0.982089E-05    0.124988E+03  0.785748E-07 0.100000E-04    0.997553E+00
  67   -0.166766E-04    0.119915E+03  0.139071E-06 0.100000E-04    0.993995E+00
  68   -0.851570E-05    0.118146E+03  0.720779E-07 0.100000E-04    0.996233E+00
  69    0.882312E-05    0.117112E+03 -0.753389E-07 0.100000E-04    0.982261E+00
  70   -0.330994E-04    0.110470E+03  0.299624E-06 0.100000E-04    0.992572E+00
  71   -0.716232E-05    0.107189E+03  0.668194E-07 0.100000E-04    0.991479E+00
  72    0.824996E-04    0.104468E+03 -0.789709E-06 0.100000E-04    0.994931E+00
  73   -0.289305E-04    0.103001E+03  0.280877E-06 0.100000E-04    0.999316E+00
  74   -0.218169E-04    0.996693E+02  0.218893E-06 0.100000E-04    0.996324E+00
  75    0.828585E-04    0.958697E+02 -0.864283E-06 0.100000E-04    0.999469E+00
  76   -0.216935E-04    0.940486E+02  0.230663E-06 0.100000E-04    0.987079E+00
  77   -0.447256E-04    0.932198E+02  0.479787E-06 0.100000E-04    0.990210E+00
  78   -0.159771E-04    0.909236E+02  0.175720E-06 0.100000E-04    0.997319E+00
  79   -0.625619E-05    0.890485E+02  0.702560E-07 0.100000E-04    0.995930E+00
  80    0.200697E-04    0.853236E+02 -0.235218E-06 0.100000E-04    0.993254E+00
  81    0.293400E-04    0.808644E+02 -0.362830E-06 0.100000E-04    0.999332E+00
  82    0.186820E-04    0.800720E+02 -0.233315E-06 0.100000E-04    0.993526E+00
  83    0.135077E-04    0.781503E+02 -0.172843E-06 0.100000E-04    0.981891E+00
  84   -0.598293E-04    0.731304E+02  0.818118E-06 0.100000E-04    0.990107E+00
  85   -0.223879E-04    0.726859E+02  0.308009E-06 0.100000E-04    0.992198E+00
  86   -0.210864E-04    0.681758E+02  0.309294E-06 0.100000E-04    0.987017E+00
  87   -0.473177E-04    0.653532E+02  0.724030E-06 0.100000E-04    0.992974E+00
  88    0.178748E-04    0.623564E+02 -0.286655E-06 0.100000E-04    0.991053E+00
  89    0.853018E-05    0.599709E+02 -0.142239E-06 0.100000E-04    0.962330E+00
  90   -0.490005E-04    0.593892E+02  0.825074E-06 0.100000E-04    0.995779E+00
  91   -0.553430E-04    0.587341E+02  0.942262E-06 0.100000E-04    0.984261E+00
  92    0.604551E-04    0.560274E+02 -0.107903E-05 0.100000E-04    0.992695E+00
  93    0.169823E-04    0.525552E+02 -0.323132E-06 0.100000E-04    0.980104E+00
  94   -0.569598E-04    0.522898E+02  0.108931E-05 0.100000E-04    0.996928E+00
  95    0.794353E-05    0.500141E+02 -0.158826E-06 0.100000E-04    0.947364E+00
  96    0.102219E-04    0.468637E+02 -0.218120E-06 0.100000E-04    0.950592E+00
  97    0.405442E-04    0.429746E+02 -0.943444E-06 0.100000E-04    0.977298E+00
  98   -0.576958E-04    0.406990E+02  0.141762E-05 0.100000E-04    0.992109E+00
  99   -0.117040E-03    0.378274E+02  0.309405E-05 0.100000E-04    0.993883E+00
 100   -0.781786E-04    0.364209E+02  0.214653E-05 0.100000E-04    0.999151E+00
 101    0.227392E-04    0.332092E+02 -0.684726E-06 0.100000E-04    0.946665E+00
 102    0.112388E-03    0.287863E+02 -0.390420E-05 0.100000E-04    0.993872E+00
 103    0.488995E-04    0.285075E+02 -0.171532E-05 0.100000E-04    0.998988E+00
 104   -0.143454E-03    0.266228E+02  0.538841E-05 0.100000E-04    0.991095E+00
 105    0.742711E-04    0.232125E+02 -0.319962E-05 0.100000E-04    0.992164E+00
 106   -0.614807E-04    0.210699E+02  0.291793E-05 0.100000E-04    0.986935E+00
 107   -0.359717E-04    0.203902E+02  0.176417E-05 0.100000E-04    0.901584E+00
 108    0.552108E-05    0.166911E+02 -0.330781E-06 0.100000E-04    0.208838E+00
 109   -0.716431E-04    0.138503E+02  0.517269E-05 0.100000E-04    0.994888E+00
 110    0.137329E-01    0.122391E+02 -0.100000E-04 0.100000E-04    0.529979E+00
 111    0.634947E-04    0.100479E+02 -0.631919E-05 0.100000E-04    0.999270E+00
 112    0.186611E-01    0.850744E+01 -0.185000E-04 0.185000E-04    0.232459E+00
 113    0.380361E-01    0.621761E+01 -0.460430E-04 0.460430E-04    0.111850E+00
 114   -0.831016E+00    0.360635E+01 -0.400000E-03 0.400000E-03    0.217800E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2193449523    

 Beginning of optimization cycle  445.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3222697320
 potential> RMS force:                                               0.0780765362   |gradient|=.8336292865    
 Eigenvalues of the Hessian matrix:
   740.94003    674.44265    628.54938    602.61688    587.16786    576.35630 
   566.91124    486.00496    462.34529    460.57021    441.69291    428.92436 
   422.10036    408.55167    396.80949    388.39959    369.03269    360.81922 
   349.94930    334.99344    327.79059    321.71385    319.53097    310.50439 
   302.13010    289.77630    278.34990    271.72636    267.80951    264.73374 
   261.83615    253.74831    241.72900    239.75810    233.87878    227.79940 
   217.80306    214.59743    213.06447    207.22935    203.42942    196.46726 
   194.85616    191.33338    183.18523    174.12608    172.31667    167.82578 
   164.02250    157.68921    154.52560    151.99719    147.55366    143.49313 
   137.56062    135.93200    130.50116    128.55760    126.55932    124.98065 
   119.91575    118.14597    117.11223    110.46599    107.18490    104.46637 
   102.99863     99.66832     95.87325     94.05413     93.20215     90.92682 
    89.04167     85.32644     80.86363     80.07462     78.14877     73.13462 
    72.68879     68.17445     65.34535     62.34445     59.97125     59.38855 
    58.72656     56.02659     52.55450     52.28854     50.01427     46.85627 
    42.97712     40.70193     37.82986     36.42219     33.19649     28.78637 
    28.50623     26.61575     23.21435     21.07364     20.38249     16.68905 
    13.85087     12.23906     10.04903      8.50664      6.20888      3.60051 
overlap for current and previous eigenvector    109 is         0.9999998042
overlap for current and previous eigenvector    110 is         0.9999997210
overlap for current and previous eigenvector    111 is         0.9999997717
overlap for current and previous eigenvector    112 is         0.9999993832
overlap for current and previous eigenvector    113 is         0.9999991353
overlap for current and previous eigenvector    114 is         0.9999996082
J1,K1,R1,R2,RAT=   7   7   -0.3714071687E-02     2.003529288        0.9962859283    
FOB,PFOB,DIAG,PSTEP=   -0.8099613504E-05   -0.8069639515E-05     740.9400272        0.1089208958E-07
J1,K1,R1,R2,RAT=   8   8   -0.1161033324E-01     2.011592442        0.9883896668    
FOB,PFOB,DIAG,PSTEP=   -0.7510262639E-05   -0.7424065988E-05     674.4426460        0.1100780392E-07
J1,K1,R1,R2,RAT=   9   9   -0.2478427162E-01     2.024730722        0.9752157284    
FOB,PFOB,DIAG,PSTEP=   -0.2982840529E-05   -0.2910699042E-05     628.5493771        0.4630944019E-08
J1,K1,R1,R2,RAT=  10  10    0.1876214325E-01     1.981300254        0.9812378567    
FOB,PFOB,DIAG,PSTEP=    0.3078348852E-05    0.3137207757E-05     602.6168846       -0.5205811461E-08
J1,K1,R1,R2,RAT=  11  11   -0.3844662862E-02     2.003873615        0.9961553371    
FOB,PFOB,DIAG,PSTEP=   -0.2211975174E-05   -0.2203503569E-05     587.1678642        0.3752711627E-08
J1,K1,R1,R2,RAT= 109 109    0.1685985166E-02     1.998227676        0.9982276760    
FOB,PFOB,DIAG,PSTEP=   -0.7152232377E-04   -0.7164311822E-04     13.85086771        0.5172687561E-05
J1,K1,R1,R2,RAT= 110 110   -0.4443106814         224.8558520        0.5556893186    
FOB,PFOB,DIAG,PSTEP=    0.1378731209E-01    0.1373293263E-01     12.23906093       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.6089979035E-02     1.993688790        0.9936887897    
FOB,PFOB,DIAG,PSTEP=    0.6310800286E-04    0.6349472720E-04     10.04903461       -0.6319189250E-05
J1,K1,R1,R2,RAT= 112 112   -0.9889009863         238.1467190        0.1109901375E-01
FOB,PFOB,DIAG,PSTEP=    0.1881672597E-01    0.1866109982E-01     8.506639218       -0.1850000184E-04
J1,K1,R1,R2,RAT= 113 113   -0.8103417561         266.9135355        0.1896582439    
FOB,PFOB,DIAG,PSTEP=    0.3826778848E-01    0.3803613199E-01     6.208875148       -0.4604296974E-04
J1,K1,R1,R2,RAT= 114 114    0.9773665597        -1155.003469        0.2263344035E-01
FOB,PFOB,DIAG,PSTEP=   -0.8324236046       -0.8310159982         3.600507808       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00002      0.00003     -0.00001      0.00003 
     0.00004      0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00003     -0.00001      0.00008 
    -0.00003     -0.00002      0.00008     -0.00002     -0.00004      0.00002 
    -0.00001      0.00002      0.00003      0.00002      0.00001     -0.00006 
    -0.00002     -0.00002     -0.00005      0.00002      0.00001     -0.00005 
    -0.00006      0.00006      0.00002     -0.00006      0.00001      0.00001 
     0.00004     -0.00006     -0.00012      0.00008     -0.00002     -0.00011 
    -0.00005      0.00014      0.00007     -0.00006     -0.00004      0.00000 
    -0.00007      0.01379      0.00006      0.01882      0.03827     -0.83242 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4021714591
 Log product of positive Hessian eigenvalues =          519.3348288081
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.6005078081
 Unscaled step for mode    7=        0.0000000109
 Unscaled step for mode    8=        0.0000000111
 Unscaled step for mode    9=        0.0000000047
 Unscaled step for mode   10=       -0.0000000051
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000141
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000085
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000086
 Unscaled step for mode   18=       -0.0000000098
 Unscaled step for mode   19=        0.0000000478
 Unscaled step for mode   20=       -0.0000000095
 Unscaled step for mode   21=       -0.0000000110
 Unscaled step for mode   22=        0.0000000316
 Unscaled step for mode   23=       -0.0000000064
 Unscaled step for mode   24=        0.0000000188
 Unscaled step for mode   25=        0.0000000694
 Unscaled step for mode   26=        0.0000001091
 Unscaled step for mode   27=        0.0000000535
 Unscaled step for mode   28=       -0.0000000351
 Unscaled step for mode   29=       -0.0000000979
 Unscaled step for mode   30=        0.0000000767
 Unscaled step for mode   31=        0.0000000800
 Unscaled step for mode   32=        0.0000000409
 Unscaled step for mode   33=       -0.0000000553
 Unscaled step for mode   34=        0.0000000695
 Unscaled step for mode   35=       -0.0000000958
 Unscaled step for mode   36=       -0.0000000950
 Unscaled step for mode   37=       -0.0000000805
 Unscaled step for mode   38=       -0.0000000215
 Unscaled step for mode   39=        0.0000000915
 Unscaled step for mode   40=        0.0000001286
 Unscaled step for mode   41=        0.0000002092
 Unscaled step for mode   42=        0.0000000947
 Unscaled step for mode   43=        0.0000000944
 Unscaled step for mode   44=        0.0000001970
 Unscaled step for mode   45=       -0.0000000298
 Unscaled step for mode   46=       -0.0000001721
 Unscaled step for mode   47=        0.0000001319
 Unscaled step for mode   48=       -0.0000000337
 Unscaled step for mode   49=       -0.0000001631
 Unscaled step for mode   50=        0.0000000343
 Unscaled step for mode   51=        0.0000001011
 Unscaled step for mode   52=        0.0000000465
 Unscaled step for mode   53=        0.0000000887
 Unscaled step for mode   54=        0.0000001476
 Unscaled step for mode   55=       -0.0000001451
 Unscaled step for mode   56=       -0.0000000488
 Unscaled step for mode   57=       -0.0000001052
 Unscaled step for mode   58=       -0.0000001821
 Unscaled step for mode   59=        0.0000000499
 Unscaled step for mode   60=       -0.0000001758
 Unscaled step for mode   61=       -0.0000002620
 Unscaled step for mode   62=       -0.0000001705
 Unscaled step for mode   63=       -0.0000001207
 Unscaled step for mode   64=        0.0000003258
 Unscaled step for mode   65=       -0.0000001866
 Unscaled step for mode   66=        0.0000000770
 Unscaled step for mode   67=        0.0000001410
 Unscaled step for mode   68=        0.0000000717
 Unscaled step for mode   69=       -0.0000000747
 Unscaled step for mode   70=        0.0000003021
 Unscaled step for mode   71=        0.0000000670
 Unscaled step for mode   72=       -0.0000007896
 Unscaled step for mode   73=        0.0000002800
 Unscaled step for mode   74=        0.0000002165
 Unscaled step for mode   75=       -0.0000008630
 Unscaled step for mode   76=        0.0000002245
 Unscaled step for mode   77=        0.0000004820
 Unscaled step for mode   78=       -0.0000001792
 Unscaled step for mode   79=        0.0000000691
 Unscaled step for mode   80=       -0.0000002358
 Unscaled step for mode   81=       -0.0000003640
 Unscaled step for mode   82=       -0.0000002373
 Unscaled step for mode   83=       -0.0000001754
 Unscaled step for mode   84=        0.0000008142
 Unscaled step for mode   85=        0.0000002987
 Unscaled step for mode   86=        0.0000003095
 Unscaled step for mode   87=        0.0000007231
 Unscaled step for mode   88=       -0.0000002865
 Unscaled step for mode   89=       -0.0000001497
 Unscaled step for mode   90=        0.0000008212
 Unscaled step for mode   91=        0.0000009420
 Unscaled step for mode   92=       -0.0000010848
 Unscaled step for mode   93=       -0.0000003337
 Unscaled step for mode   94=        0.0000010840
 Unscaled step for mode   95=       -0.0000001457
 Unscaled step for mode   96=       -0.0000002197
 Unscaled step for mode   97=       -0.0000009256
 Unscaled step for mode   98=        0.0000014126
 Unscaled step for mode   99=        0.0000030727
 Unscaled step for mode  100=       -0.0000021460
 Unscaled step for mode  101=        0.0000006548
 Unscaled step for mode  102=        0.0000038946
 Unscaled step for mode  103=        0.0000017242
 Unscaled step for mode  104=       -0.0000053748
 Unscaled step for mode  105=       -0.0000032043
 Unscaled step for mode  106=        0.0000028934
 Unscaled step for mode  107=        0.0000019027
 Unscaled step for mode  108=       -0.0000002200
 Unscaled step for mode  109=        0.0000051637
 Unscaled step for mode  110=       -0.0011264994
 Unscaled step for mode  111=       -0.0000062800
 Unscaled step for mode  112=       -0.0022119939
 Unscaled step for mode  113=       -0.0061631671
 Unscaled step for mode  114=       -0.2200056934
 Largest modulus ratio of non-zero e/values=           205.7876463    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.695082E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.178395E-14    0.100681E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.345047E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.785179E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.779245E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.271945E-15    0.974089E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.809961E-05    0.740940E+03  0.109315E-07 0.100000E-04    0.996286E+00
   8   -0.751026E-05    0.674443E+03  0.111355E-07 0.100000E-04    0.988390E+00
   9   -0.298284E-05    0.628549E+03  0.474559E-08 0.100000E-04    0.975216E+00
  10    0.307835E-05    0.602617E+03 -0.510830E-08 0.100000E-04    0.981238E+00
  11   -0.221198E-05    0.587168E+03  0.376719E-08 0.100000E-04    0.996155E+00
  12   -0.812943E-05    0.576356E+03  0.141049E-07 0.100000E-04    0.981987E+00
  13   -0.353266E-05    0.566911E+03  0.623142E-08 0.100000E-04    0.988037E+00
  14    0.410925E-05    0.486005E+03 -0.845517E-08 0.100000E-04    0.974845E+00
  15    0.227544E-05    0.462345E+03 -0.492152E-08 0.100000E-04    0.984543E+00
  16    0.738932E-05    0.460570E+03 -0.160439E-07 0.100000E-04    0.994329E+00
  17    0.379285E-05    0.441693E+03 -0.858707E-08 0.100000E-04    0.976477E+00
  18    0.420246E-05    0.428924E+03 -0.979767E-08 0.100000E-04    0.997275E+00
  19   -0.201809E-04    0.422100E+03  0.478106E-07 0.100000E-04    0.999328E+00
  20    0.386437E-05    0.408552E+03 -0.945871E-08 0.100000E-04    0.982918E+00
  21    0.437452E-05    0.396809E+03 -0.110242E-07 0.100000E-04    0.983025E+00
  22   -0.122785E-04    0.388400E+03  0.316130E-07 0.100000E-04    0.998106E+00
  23    0.237855E-05    0.369033E+03 -0.644536E-08 0.100000E-04    0.952065E+00
  24   -0.678277E-05    0.360819E+03  0.187983E-07 0.100000E-04    0.991810E+00
  25   -0.242765E-04    0.349949E+03  0.693716E-07 0.100000E-04    0.998944E+00
  26   -0.365531E-04    0.334993E+03  0.109116E-06 0.100000E-04    0.998800E+00
  27   -0.175505E-04    0.327791E+03  0.535418E-07 0.100000E-04    0.999751E+00
  28    0.112802E-04    0.321714E+03 -0.350627E-07 0.100000E-04    0.995264E+00
  29    0.312977E-04    0.319531E+03 -0.979490E-07 0.100000E-04    0.998314E+00
  30   -0.238070E-04    0.310504E+03  0.766721E-07 0.100000E-04    0.996618E+00
  31   -0.241576E-04    0.302130E+03  0.799575E-07 0.100000E-04    0.992143E+00
  32   -0.118533E-04    0.289776E+03  0.409051E-07 0.100000E-04    0.995370E+00
  33    0.153806E-04    0.278350E+03 -0.552562E-07 0.100000E-04    0.994657E+00
  34   -0.188932E-04    0.271726E+03  0.695303E-07 0.100000E-04    0.999207E+00
  35    0.256650E-04    0.267810E+03 -0.958331E-07 0.100000E-04    0.995888E+00
  36    0.251496E-04    0.264734E+03 -0.949997E-07 0.100000E-04    0.995413E+00
  37    0.210819E-04    0.261836E+03 -0.805157E-07 0.100000E-04    0.998026E+00
  38    0.545428E-05    0.253748E+03 -0.214948E-07 0.100000E-04    0.988886E+00
  39   -0.221156E-04    0.241729E+03  0.914892E-07 0.100000E-04    0.998674E+00
  40   -0.308346E-04    0.239758E+03  0.128607E-06 0.100000E-04    0.994346E+00
  41   -0.489208E-04    0.233879E+03  0.209172E-06 0.100000E-04    0.998113E+00
  42   -0.215772E-04    0.227799E+03  0.947202E-07 0.100000E-04    0.992233E+00
  43   -0.205516E-04    0.217803E+03  0.943587E-07 0.100000E-04    0.995979E+00
  44   -0.422693E-04    0.214597E+03  0.196970E-06 0.100000E-04    0.993256E+00
  45    0.635705E-05    0.213064E+03 -0.298363E-07 0.100000E-04    0.994126E+00
  46    0.356584E-04    0.207229E+03 -0.172072E-06 0.100000E-04    0.996711E+00
  47   -0.268314E-04    0.203429E+03  0.131896E-06 0.100000E-04    0.999526E+00
  48    0.662171E-05    0.196467E+03 -0.337039E-07 0.100000E-04    0.987033E+00
  49    0.317773E-04    0.194856E+03 -0.163081E-06 0.100000E-04    0.994425E+00
  50   -0.656431E-05    0.191333E+03  0.343083E-07 0.100000E-04    0.945289E+00
  51   -0.185260E-04    0.183185E+03  0.101133E-06 0.100000E-04    0.997472E+00
  52   -0.810170E-05    0.174126E+03  0.465278E-07 0.100000E-04    0.992534E+00
  53   -0.152844E-04    0.172317E+03  0.886994E-07 0.100000E-04    0.998108E+00
  54   -0.247631E-04    0.167826E+03  0.147553E-06 0.100000E-04    0.994901E+00
  55    0.238069E-04    0.164023E+03 -0.145144E-06 0.100000E-04    0.998287E+00
  56    0.769208E-05    0.157689E+03 -0.487800E-07 0.100000E-04    0.995999E+00
  57    0.162613E-04    0.154526E+03 -0.105234E-06 0.100000E-04    0.999679E+00
  58    0.276829E-04    0.151997E+03 -0.182128E-06 0.100000E-04    0.998831E+00
  59   -0.736032E-05    0.147554E+03  0.498823E-07 0.100000E-04    0.998778E+00
  60    0.252239E-04    0.143493E+03 -0.175785E-06 0.100000E-04    0.999175E+00
  61    0.360366E-04    0.137561E+03 -0.261969E-06 0.100000E-04    0.993252E+00
  62    0.231700E-04    0.135932E+03 -0.170453E-06 0.100000E-04    0.997548E+00
  63    0.157489E-04    0.130501E+03 -0.120680E-06 0.100000E-04    0.975077E+00
  64   -0.418819E-04    0.128558E+03  0.325783E-06 0.100000E-04    0.998325E+00
  65    0.236177E-04    0.126559E+03 -0.186613E-06 0.100000E-04    0.990143E+00
  66   -0.961744E-05    0.124981E+03  0.769515E-07 0.100000E-04    0.979283E+00
  67   -0.169052E-04    0.119916E+03  0.140976E-06 0.100000E-04    0.986292E+00
  68   -0.847136E-05    0.118146E+03  0.717025E-07 0.100000E-04    0.994789E+00
  69    0.874965E-05    0.117112E+03 -0.747116E-07 0.100000E-04    0.991672E+00
  70   -0.333770E-04    0.110466E+03  0.302148E-06 0.100000E-04    0.991612E+00
  71   -0.717873E-05    0.107185E+03  0.669752E-07 0.100000E-04    0.997708E+00
  72    0.824897E-04    0.104466E+03 -0.789630E-06 0.100000E-04    0.999880E+00
  73   -0.288371E-04    0.102999E+03  0.279975E-06 0.100000E-04    0.996769E+00
  74   -0.215803E-04    0.996683E+02  0.216521E-06 0.100000E-04    0.989156E+00
  75    0.827385E-04    0.958732E+02 -0.862999E-06 0.100000E-04    0.998477E+00
  76   -0.211114E-04    0.940541E+02  0.224460E-06 0.100000E-04    0.973049E+00
  77   -0.449214E-04    0.932021E+02  0.481979E-06 0.100000E-04    0.995621E+00
  78    0.162945E-04    0.909268E+02 -0.179205E-06 0.100000E-04    0.980132E+00
  79   -0.615283E-05    0.890417E+02  0.691006E-07 0.100000E-04    0.983477E+00
  80    0.201194E-04    0.853264E+02 -0.235793E-06 0.100000E-04    0.997522E+00
  81    0.294376E-04    0.808636E+02 -0.364040E-06 0.100000E-04    0.996675E+00
  82    0.190025E-04    0.800746E+02 -0.237310E-06 0.100000E-04    0.982845E+00
  83    0.137079E-04    0.781488E+02 -0.175408E-06 0.100000E-04    0.985183E+00
  84   -0.595462E-04    0.731346E+02  0.814199E-06 0.100000E-04    0.995151E+00
  85   -0.217127E-04    0.726888E+02  0.298708E-06 0.100000E-04    0.969766E+00
  86   -0.210966E-04    0.681745E+02  0.309451E-06 0.100000E-04    0.999515E+00
  87   -0.472494E-04    0.653454E+02  0.723072E-06 0.100000E-04    0.998557E+00
  88    0.178618E-04    0.623444E+02 -0.286502E-06 0.100000E-04    0.999275E+00
  89    0.897911E-05    0.599712E+02 -0.149724E-06 0.100000E-04    0.947372E+00
  90   -0.487725E-04    0.593886E+02  0.821244E-06 0.100000E-04    0.995347E+00
  91   -0.553187E-04    0.587266E+02  0.941970E-06 0.100000E-04    0.999561E+00
  92    0.607779E-04    0.560266E+02 -0.108481E-05 0.100000E-04    0.994659E+00
  93    0.175387E-04    0.525545E+02 -0.333724E-06 0.100000E-04    0.967237E+00
  94   -0.566820E-04    0.522885E+02  0.108402E-05 0.100000E-04    0.995123E+00
  95    0.728842E-05    0.500143E+02 -0.145727E-06 0.100000E-04    0.917523E+00
  96    0.102947E-04    0.468563E+02 -0.219707E-06 0.100000E-04    0.992880E+00
  97    0.397785E-04    0.429771E+02 -0.925573E-06 0.100000E-04    0.981000E+00
  98   -0.574952E-04    0.407019E+02  0.141259E-05 0.100000E-04    0.996381E+00
  99   -0.116238E-03    0.378299E+02  0.307266E-05 0.100000E-04    0.993020E+00
 100    0.781615E-04    0.364222E+02 -0.214599E-05 0.100000E-04    0.999711E+00
 101   -0.217367E-04    0.331965E+02  0.654788E-06 0.100000E-04    0.955897E+00
 102   -0.112110E-03    0.287864E+02  0.389456E-05 0.100000E-04    0.997528E+00
 103   -0.491491E-04    0.285062E+02  0.172415E-05 0.100000E-04    0.994895E+00
 104    0.143055E-03    0.266158E+02 -0.537483E-05 0.100000E-04    0.997216E+00
 105    0.743866E-04    0.232144E+02 -0.320434E-05 0.100000E-04    0.998445E+00
 106   -0.609748E-04    0.210736E+02  0.289341E-05 0.100000E-04    0.991422E+00
 107   -0.387820E-04    0.203825E+02  0.190271E-05 0.100000E-04    0.921843E+00
 108    0.367139E-05    0.166890E+02 -0.219988E-06 0.100000E-04    0.664935E+00
 109   -0.715223E-04    0.138509E+02  0.516374E-05 0.100000E-04    0.998228E+00
 110    0.137873E-01    0.122391E+02 -0.100000E-04 0.100000E-04    0.555689E+00
 111    0.631080E-04    0.100490E+02 -0.628001E-05 0.100000E-04    0.993689E+00
 112    0.188167E-01    0.850664E+01 -0.201650E-04 0.201650E-04    0.110990E-01
 113    0.382678E-01    0.620888E+01 -0.501868E-04 0.501868E-04    0.189658E+00
 114   -0.832424E+00    0.360051E+01 -0.400000E-03 0.400000E-03    0.226334E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2200056934    

 Beginning of optimization cycle  446.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3219389043
 potential> RMS force:                                               0.0782092203   |gradient|=.8350459650    
 Eigenvalues of the Hessian matrix:
   741.00894    674.44844    628.56676    602.59767    587.15928    576.39689 
   566.90415    486.03179    462.32225    460.56336    441.69657    428.91990 
   422.10060    408.55300    396.80474    388.39254    369.04529    360.81233 
   349.94109    334.99169    327.80951    321.71839    319.51774    310.49131 
   302.11104    289.78760    278.34862    271.73892    267.81733    264.73520 
   261.86119    253.74316    241.72401    239.77104    233.87279    227.79161 
   217.78399    214.60358    213.07068    207.23216    203.42579    196.45585 
   194.85278    191.33182    183.17665    174.12184    172.31801    167.82964 
   164.01242    157.67717    154.52984    152.00269    147.54307    143.49437 
   137.56572    135.93147    130.49984    128.56134    126.56393    124.97331 
   119.91684    118.14629    117.11192    110.46232    107.18065    104.46433 
   102.99653     99.66737     95.87682     94.05955     93.18446     90.93009 
    89.03479     85.32939     80.86291     80.07734     78.14718     73.13885 
    72.69151     68.17303     65.33752     62.33234     59.97160     59.38793 
    58.71896     56.02579     52.55375     52.28720     50.01454     46.84874 
    42.97974     40.70484     37.83230     36.42344     33.18378     28.78645 
    28.50502     26.60878     23.21621     21.07737     20.37481     16.68701 
    13.85148     12.23905     10.05012      8.50614      6.20023      3.59466 
overlap for current and previous eigenvector    109 is         0.9999998037
overlap for current and previous eigenvector    110 is         0.9999997259
overlap for current and previous eigenvector    111 is         0.9999997672
overlap for current and previous eigenvector    112 is         0.9999994606
overlap for current and previous eigenvector    113 is         0.9999991779
overlap for current and previous eigenvector    114 is         0.9999995745
J1,K1,R1,R2,RAT=   7   7   -0.4692728835E-02     2.004506737        0.9953072712    
FOB,PFOB,DIAG,PSTEP=   -0.8137626329E-05   -0.8099613504E-05     741.0089378        0.1093153725E-07
J1,K1,R1,R2,RAT=   8   8   -0.1021268127E-01     2.010195498        0.9897873187    
FOB,PFOB,DIAG,PSTEP=   -0.7586963217E-05   -0.7510262639E-05     674.4484407        0.1113550972E-07
J1,K1,R1,R2,RAT=   9   9   -0.5400420414E-01     2.053948909        0.9459957959    
FOB,PFOB,DIAG,PSTEP=   -0.3143930912E-05   -0.2982840529E-05     628.5667553        0.4745594599E-08
J1,K1,R1,R2,RAT=  10  10   -0.9717650541E-03     2.001035550        0.9990282349    
FOB,PFOB,DIAG,PSTEP=    0.3081340188E-05    0.3078348852E-05     602.5976662       -0.5108301693E-08
J1,K1,R1,R2,RAT=  11  11    0.1792231070E-01     1.982106940        0.9820776893    
FOB,PFOB,DIAG,PSTEP=   -0.2172332048E-05   -0.2211975174E-05     587.1592768        0.3767193863E-08
J1,K1,R1,R2,RAT= 109 109   -0.1868852528E-01     2.018600563        0.9813114747    
FOB,PFOB,DIAG,PSTEP=   -0.7285902931E-04   -0.7152232377E-04     13.85147692        0.5163743185E-05
J1,K1,R1,R2,RAT= 110 110   -0.4235247006         225.7239664        0.5764752994    
FOB,PFOB,DIAG,PSTEP=    0.1383914747E-01    0.1378731209E-01     12.23904577       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1425623430E-01     2.014039829        0.9857437657    
FOB,PFOB,DIAG,PSTEP=    0.6400778270E-04    0.6310800286E-04     10.05012206       -0.6280006519E-05
J1,K1,R1,R2,RAT= 112 112   -0.9018701822         220.3052008        0.9812981783E-01
FOB,PFOB,DIAG,PSTEP=    0.1897142047E-01    0.1881672597E-01     8.506140867       -0.2016500200E-04
J1,K1,R1,R2,RAT= 113 113   -0.7878444415         246.7486492        0.2121555585    
FOB,PFOB,DIAG,PSTEP=    0.3851294188E-01    0.3826778848E-01     6.200227564       -0.5018683702E-04
J1,K1,R1,R2,RAT= 114 114    0.9758060735        -1158.837553        0.2419392650E-01
FOB,PFOB,DIAG,PSTEP=   -0.8338266806       -0.8324236046         3.594658890       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00002      0.00003     -0.00001      0.00003 
     0.00004      0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00002     -0.00001      0.00001     -0.00003     -0.00001      0.00008 
    -0.00003     -0.00002      0.00008     -0.00002     -0.00005      0.00002 
    -0.00001      0.00002      0.00003      0.00002      0.00001     -0.00006 
    -0.00002     -0.00002     -0.00005      0.00002      0.00001     -0.00005 
    -0.00005      0.00006      0.00002     -0.00006      0.00001      0.00001 
     0.00004     -0.00006     -0.00012      0.00008     -0.00002     -0.00011 
    -0.00005      0.00014      0.00007     -0.00006     -0.00004      0.00000 
    -0.00007      0.01384      0.00006      0.01897      0.03851     -0.83383 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4019130946
 Log product of positive Hessian eigenvalues =          519.3303253758
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5946588904
 Unscaled step for mode    7=        0.0000000110
 Unscaled step for mode    8=        0.0000000112
 Unscaled step for mode    9=        0.0000000050
 Unscaled step for mode   10=       -0.0000000051
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000145
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000087
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000083
 Unscaled step for mode   18=       -0.0000000095
 Unscaled step for mode   19=        0.0000000478
 Unscaled step for mode   20=       -0.0000000091
 Unscaled step for mode   21=       -0.0000000107
 Unscaled step for mode   22=        0.0000000319
 Unscaled step for mode   23=       -0.0000000069
 Unscaled step for mode   24=        0.0000000191
 Unscaled step for mode   25=        0.0000000692
 Unscaled step for mode   26=        0.0000001089
 Unscaled step for mode   27=        0.0000000532
 Unscaled step for mode   28=       -0.0000000347
 Unscaled step for mode   29=       -0.0000000982
 Unscaled step for mode   30=        0.0000000771
 Unscaled step for mode   31=        0.0000000805
 Unscaled step for mode   32=        0.0000000416
 Unscaled step for mode   33=       -0.0000000553
 Unscaled step for mode   34=        0.0000000697
 Unscaled step for mode   35=       -0.0000000963
 Unscaled step for mode   36=       -0.0000000959
 Unscaled step for mode   37=       -0.0000000802
 Unscaled step for mode   38=       -0.0000000218
 Unscaled step for mode   39=        0.0000000912
 Unscaled step for mode   40=        0.0000001300
 Unscaled step for mode   41=        0.0000002098
 Unscaled step for mode   42=        0.0000000961
 Unscaled step for mode   43=        0.0000000946
 Unscaled step for mode   44=        0.0000001989
 Unscaled step for mode   45=       -0.0000000304
 Unscaled step for mode   46=       -0.0000001728
 Unscaled step for mode   47=        0.0000001321
 Unscaled step for mode   48=       -0.0000000330
 Unscaled step for mode   49=       -0.0000001636
 Unscaled step for mode   50=        0.0000000326
 Unscaled step for mode   51=        0.0000001008
 Unscaled step for mode   52=        0.0000000464
 Unscaled step for mode   53=        0.0000000882
 Unscaled step for mode   54=        0.0000001476
 Unscaled step for mode   55=       -0.0000001459
 Unscaled step for mode   56=       -0.0000000504
 Unscaled step for mode   57=       -0.0000001047
 Unscaled step for mode   58=       -0.0000001826
 Unscaled step for mode   59=        0.0000000509
 Unscaled step for mode   60=       -0.0000001751
 Unscaled step for mode   61=       -0.0000002602
 Unscaled step for mode   62=       -0.0000001706
 Unscaled step for mode   63=       -0.0000001175
 Unscaled step for mode   64=        0.0000003263
 Unscaled step for mode   65=       -0.0000001840
 Unscaled step for mode   66=        0.0000000760
 Unscaled step for mode   67=        0.0000001441
 Unscaled step for mode   68=        0.0000000708
 Unscaled step for mode   69=       -0.0000000745
 Unscaled step for mode   70=        0.0000003039
 Unscaled step for mode   71=        0.0000000676
 Unscaled step for mode   72=       -0.0000007912
 Unscaled step for mode   73=        0.0000002783
 Unscaled step for mode   74=        0.0000002149
 Unscaled step for mode   75=       -0.0000008606
 Unscaled step for mode   76=        0.0000002182
 Unscaled step for mode   77=        0.0000004857
 Unscaled step for mode   78=       -0.0000001774
 Unscaled step for mode   79=        0.0000000691
 Unscaled step for mode   80=       -0.0000002346
 Unscaled step for mode   81=       -0.0000003663
 Unscaled step for mode   82=       -0.0000002407
 Unscaled step for mode   83=       -0.0000001725
 Unscaled step for mode   84=        0.0000008120
 Unscaled step for mode   85=        0.0000002896
 Unscaled step for mode   86=        0.0000003077
 Unscaled step for mode   87=        0.0000007193
 Unscaled step for mode   88=       -0.0000002950
 Unscaled step for mode   89=       -0.0000001564
 Unscaled step for mode   90=        0.0000008152
 Unscaled step for mode   91=        0.0000009350
 Unscaled step for mode   92=       -0.0000010866
 Unscaled step for mode   93=       -0.0000003487
 Unscaled step for mode   94=        0.0000010830
 Unscaled step for mode   95=       -0.0000001389
 Unscaled step for mode   96=       -0.0000002180
 Unscaled step for mode   97=       -0.0000009052
 Unscaled step for mode   98=        0.0000014068
 Unscaled step for mode   99=        0.0000030492
 Unscaled step for mode  100=       -0.0000021282
 Unscaled step for mode  101=        0.0000006092
 Unscaled step for mode  102=        0.0000038872
 Unscaled step for mode  103=        0.0000017384
 Unscaled step for mode  104=       -0.0000054112
 Unscaled step for mode  105=       -0.0000031650
 Unscaled step for mode  106=        0.0000027897
 Unscaled step for mode  107=        0.0000019783
 Unscaled step for mode  108=       -0.0000000431
 Unscaled step for mode  109=        0.0000052600
 Unscaled step for mode  110=       -0.0011307360
 Unscaled step for mode  111=       -0.0000063689
 Unscaled step for mode  112=       -0.0022303094
 Unscaled step for mode  113=       -0.0062112972
 Unscaled step for mode  114=       -0.2206674526
 Largest modulus ratio of non-zero e/values=           206.1416564    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.770217E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.220191E-14    0.100681E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.228550E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.670145E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.493558E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.702156E-16    0.974091E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.813763E-05    0.741009E+03  0.109818E-07 0.100000E-04    0.995307E+00
   8   -0.758696E-05    0.674448E+03  0.112491E-07 0.100000E-04    0.989787E+00
   9   -0.314393E-05    0.628567E+03  0.500175E-08 0.100000E-04    0.945996E+00
  10    0.308134E-05    0.602598E+03 -0.511343E-08 0.100000E-04    0.999028E+00
  11   -0.217233E-05    0.587159E+03  0.369973E-08 0.100000E-04    0.982078E+00
  12   -0.836119E-05    0.576397E+03  0.145060E-07 0.100000E-04    0.971493E+00
  13   -0.350069E-05    0.566904E+03  0.617510E-08 0.100000E-04    0.990949E+00
  14    0.423379E-05    0.486032E+03 -0.871092E-08 0.100000E-04    0.969696E+00
  15    0.221368E-05    0.462322E+03 -0.478818E-08 0.100000E-04    0.972857E+00
  16    0.733522E-05    0.460563E+03 -0.159266E-07 0.100000E-04    0.992679E+00
  17    0.366472E-05    0.441697E+03 -0.829692E-08 0.100000E-04    0.966202E+00
  18    0.408538E-05    0.428920E+03 -0.952480E-08 0.100000E-04    0.972139E+00
  19   -0.201613E-04    0.422101E+03  0.477641E-07 0.100000E-04    0.999028E+00
  20    0.372600E-05    0.408553E+03 -0.911999E-08 0.100000E-04    0.964187E+00
  21    0.424979E-05    0.396805E+03 -0.107100E-07 0.100000E-04    0.971486E+00
  22   -0.124037E-04    0.388393E+03  0.319360E-07 0.100000E-04    0.989800E+00
  23    0.254527E-05    0.369045E+03 -0.689692E-08 0.100000E-04    0.929906E+00
  24   -0.690895E-05    0.360812E+03  0.191483E-07 0.100000E-04    0.981397E+00
  25   -0.242302E-04    0.349941E+03  0.692409E-07 0.100000E-04    0.998093E+00
  26   -0.364908E-04    0.334992E+03  0.108930E-06 0.100000E-04    0.998294E+00
  27   -0.174449E-04    0.327810E+03  0.532165E-07 0.100000E-04    0.993866E+00
  28    0.111701E-04    0.321718E+03 -0.347201E-07 0.100000E-04    0.990214E+00
  29    0.313679E-04    0.319518E+03 -0.981728E-07 0.100000E-04    0.997757E+00
  30   -0.239318E-04    0.310491E+03  0.770774E-07 0.100000E-04    0.994757E+00
  31   -0.243066E-04    0.302111E+03  0.804559E-07 0.100000E-04    0.993830E+00
  32   -0.120672E-04    0.289788E+03  0.416415E-07 0.100000E-04    0.981959E+00
  33    0.153827E-04    0.278349E+03 -0.552640E-07 0.100000E-04    0.999864E+00
  34   -0.189533E-04    0.271739E+03  0.697481E-07 0.100000E-04    0.996822E+00
  35    0.257863E-04    0.267817E+03 -0.962833E-07 0.100000E-04    0.995273E+00
  36    0.253971E-04    0.264735E+03 -0.959338E-07 0.100000E-04    0.990162E+00
  37    0.209992E-04    0.261861E+03 -0.801921E-07 0.100000E-04    0.995885E+00
  38    0.552590E-05    0.253743E+03 -0.217775E-07 0.100000E-04    0.986868E+00
  39   -0.220563E-04    0.241724E+03  0.912456E-07 0.100000E-04    0.997317E+00
  40   -0.311672E-04    0.239771E+03  0.129987E-06 0.100000E-04    0.989213E+00
  41   -0.490564E-04    0.233873E+03  0.209757E-06 0.100000E-04    0.997228E+00
  42   -0.218944E-04    0.227792E+03  0.961161E-07 0.100000E-04    0.985297E+00
  43   -0.205918E-04    0.217784E+03  0.945516E-07 0.100000E-04    0.998044E+00
  44   -0.426785E-04    0.214604E+03  0.198871E-06 0.100000E-04    0.990320E+00
  45    0.648144E-05    0.213071E+03 -0.304192E-07 0.100000E-04    0.980432E+00
  46    0.358160E-04    0.207232E+03 -0.172830E-06 0.100000E-04    0.995581E+00
  47   -0.268814E-04    0.203426E+03  0.132144E-06 0.100000E-04    0.998136E+00
  48    0.647422E-05    0.196456E+03 -0.329551E-07 0.100000E-04    0.977725E+00
  49    0.318807E-04    0.194853E+03 -0.163614E-06 0.100000E-04    0.996746E+00
  50   -0.624370E-05    0.191332E+03  0.326329E-07 0.100000E-04    0.951158E+00
  51   -0.184598E-04    0.183177E+03  0.100776E-06 0.100000E-04    0.996427E+00
  52   -0.807714E-05    0.174122E+03  0.463879E-07 0.100000E-04    0.996968E+00
  53   -0.152055E-04    0.172318E+03  0.882409E-07 0.100000E-04    0.994823E+00
  54   -0.247695E-04    0.167830E+03  0.147587E-06 0.100000E-04    0.999744E+00
  55    0.239340E-04    0.164012E+03 -0.145928E-06 0.100000E-04    0.994660E+00
  56    0.794140E-05    0.157677E+03 -0.503649E-07 0.100000E-04    0.967585E+00
  57    0.161749E-04    0.154530E+03 -0.104672E-06 0.100000E-04    0.994630E+00
  58    0.277539E-04    0.152003E+03 -0.182588E-06 0.100000E-04    0.997437E+00
  59   -0.751223E-05    0.147543E+03  0.509155E-07 0.100000E-04    0.979361E+00
  60    0.251195E-04    0.143494E+03 -0.175056E-06 0.100000E-04    0.995844E+00
  61    0.357880E-04    0.137566E+03 -0.260152E-06 0.100000E-04    0.993028E+00
  62    0.231863E-04    0.135931E+03 -0.170573E-06 0.100000E-04    0.999296E+00
  63    0.153401E-04    0.130500E+03 -0.117549E-06 0.100000E-04    0.974045E+00
  64   -0.419498E-04    0.128561E+03  0.326301E-06 0.100000E-04    0.998379E+00
  65    0.232883E-04    0.126564E+03 -0.184004E-06 0.100000E-04    0.985981E+00
  66   -0.950009E-05    0.124973E+03  0.760170E-07 0.100000E-04    0.987797E+00
  67   -0.172817E-04    0.119917E+03  0.144114E-06 0.100000E-04    0.977728E+00
  68   -0.836002E-05    0.118146E+03  0.707599E-07 0.100000E-04    0.986851E+00
  69    0.871907E-05    0.117112E+03 -0.744508E-07 0.100000E-04    0.996506E+00
  70   -0.335681E-04    0.110462E+03  0.303887E-06 0.100000E-04    0.994276E+00
  71   -0.724983E-05    0.107181E+03  0.676413E-07 0.100000E-04    0.990095E+00
  72    0.826497E-04    0.104464E+03 -0.791176E-06 0.100000E-04    0.998061E+00
  73   -0.286593E-04    0.102997E+03  0.278255E-06 0.100000E-04    0.993834E+00
  74   -0.214177E-04    0.996674E+02  0.214892E-06 0.100000E-04    0.992465E+00
  75    0.825088E-04    0.958768E+02 -0.860571E-06 0.100000E-04    0.997150E+00
  76   -0.205266E-04    0.940595E+02  0.218230E-06 0.100000E-04    0.972186E+00
  77   -0.452624E-04    0.931845E+02  0.485729E-06 0.100000E-04    0.992408E+00
  78    0.161322E-04    0.909301E+02 -0.177413E-06 0.100000E-04    0.989967E+00
  79   -0.614988E-05    0.890348E+02  0.690728E-07 0.100000E-04    0.999521E+00
  80    0.200219E-04    0.853294E+02 -0.234642E-06 0.100000E-04    0.995084E+00
  81    0.296166E-04    0.808629E+02 -0.366257E-06 0.100000E-04    0.993918E+00
  82    0.192769E-04    0.800773E+02 -0.240729E-06 0.100000E-04    0.985561E+00
  83    0.134841E-04    0.781472E+02 -0.172547E-06 0.100000E-04    0.983671E+00
  84   -0.593891E-04    0.731388E+02  0.812006E-06 0.100000E-04    0.997248E+00
  85   -0.210484E-04    0.726915E+02  0.289558E-06 0.100000E-04    0.969328E+00
  86   -0.209762E-04    0.681730E+02  0.307690E-06 0.100000E-04    0.994290E+00
  87   -0.469981E-04    0.653375E+02  0.719312E-06 0.100000E-04    0.994680E+00
  88    0.183901E-04    0.623323E+02 -0.295032E-06 0.100000E-04    0.970422E+00
  89    0.937851E-05    0.599716E+02 -0.156383E-06 0.100000E-04    0.955519E+00
  90   -0.484116E-04    0.593879E+02  0.815175E-06 0.100000E-04    0.992599E+00
  91   -0.549024E-04    0.587190E+02  0.935003E-06 0.100000E-04    0.992474E+00
  92    0.608770E-04    0.560258E+02 -0.108659E-05 0.100000E-04    0.998371E+00
  93    0.183272E-04    0.525537E+02 -0.348733E-06 0.100000E-04    0.955040E+00
  94   -0.566250E-04    0.522872E+02  0.108296E-05 0.100000E-04    0.998995E+00
  95    0.694939E-05    0.500145E+02 -0.138947E-06 0.100000E-04    0.953473E+00
  96    0.102136E-04    0.468487E+02 -0.218012E-06 0.100000E-04    0.992124E+00
  97    0.389040E-04    0.429797E+02 -0.905170E-06 0.100000E-04    0.977896E+00
  98   -0.572641E-04    0.407048E+02  0.140681E-05 0.100000E-04    0.995838E+00
  99   -0.115358E-03    0.378323E+02  0.304921E-05 0.100000E-04    0.992303E+00
 100    0.775165E-04    0.364234E+02 -0.212820E-05 0.100000E-04    0.991678E+00
 101   -0.202163E-04    0.331838E+02  0.609222E-06 0.100000E-04    0.930028E+00
 102   -0.111898E-03    0.287865E+02  0.388717E-05 0.100000E-04    0.998100E+00
 103   -0.495543E-04    0.285050E+02  0.173844E-05 0.100000E-04    0.991755E+00
 104    0.143984E-03    0.266088E+02 -0.541116E-05 0.100000E-04    0.993502E+00
 105    0.734797E-04    0.232162E+02 -0.316502E-05 0.100000E-04    0.987648E+00
 106   -0.587988E-04    0.210774E+02  0.278966E-05 0.100000E-04    0.963965E+00
 107   -0.403072E-04    0.203748E+02  0.197828E-05 0.100000E-04    0.960659E+00
 108    0.718517E-06    0.166870E+02 -0.430584E-07 0.109000E-04    0.195609E+00
 109   -0.728590E-04    0.138515E+02  0.526002E-05 0.100000E-04    0.981311E+00
 110    0.138391E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.576475E+00
 111    0.640078E-04    0.100501E+02 -0.636886E-05 0.100000E-04    0.985744E+00
 112    0.189714E-01    0.850614E+01 -0.219799E-04 0.219799E-04    0.981298E-01
 113    0.385129E-01    0.620023E+01 -0.452134E-04 0.452134E-04    0.212156E+00
 114   -0.833827E+00    0.359466E+01 -0.400000E-03 0.400000E-03    0.241939E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2206674526    

 Beginning of optimization cycle  447.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3216073759
 potential> RMS force:                                               0.0783417763   |gradient|=.8364612761    
 Eigenvalues of the Hessian matrix:
   741.07767    674.45474    628.58397    602.57813    587.15100    576.43704 
   566.89746    486.05886    462.29934    460.55651    441.70036    428.91502 
   422.10076    408.55442    396.80005    388.38543    369.05790    360.80539 
   349.93265    334.98988    327.82830    321.72309    319.50410    310.47833 
   302.09180    289.79889    278.34716    271.75138    267.82498    264.73654 
   261.88585    253.73783    241.71883    239.78377    233.86670    227.78360 
   217.76496    214.60960    213.07680    207.23493    203.42219    196.44444 
   194.84922    191.33025    183.16793    174.11764    172.31924    167.83338 
   164.00240    157.66518    154.53399    152.00822    147.53261    143.49570 
   137.57073    135.93091    130.49865    128.56499    126.56857    124.96614 
   119.91794    118.14664    117.11171    110.45868    107.17652    104.46240 
   102.99444     99.66646     95.88052     94.06493     93.16677     90.93327 
    89.02798     85.33225     80.86218     80.07993     78.14563     73.14320 
    72.69437     68.17177     65.32986     62.32022     59.97192     59.38746 
    58.71144     56.02508     52.55309     52.28595     50.01478     46.84131 
    42.98229     40.70778     37.83481     36.42495     33.17114     28.78654 
    28.50381     26.60181     23.21802     21.08125     20.36703     16.68499 
    13.85209     12.23904     10.05120      8.50554      6.19158      3.58881 
overlap for current and previous eigenvector    109 is         0.9999998105
overlap for current and previous eigenvector    110 is         0.9999997316
overlap for current and previous eigenvector    111 is         0.9999997802
overlap for current and previous eigenvector    112 is         0.9999994662
overlap for current and previous eigenvector    113 is         0.9999991950
overlap for current and previous eigenvector    114 is         0.9999995999
J1,K1,R1,R2,RAT=   7   7   -0.5200815814E-02     2.005015326        0.9947991842    
FOB,PFOB,DIAG,PSTEP=   -0.8179952550E-05   -0.8137626329E-05     741.0776689        0.1098181940E-07
J1,K1,R1,R2,RAT=   8   8    0.7507790853E-02     1.992473525        0.9924735254    
FOB,PFOB,DIAG,PSTEP=   -0.7530001351E-05   -0.7586963217E-05     674.4547414        0.1124913746E-07
J1,K1,R1,R2,RAT=   9   9    0.1480947384E-01     1.985135753        0.9851357526    
FOB,PFOB,DIAG,PSTEP=   -0.3097369674E-05   -0.3143930912E-05     628.5839702        0.5001745456E-08
J1,K1,R1,R2,RAT=  10  10   -0.3254982086E-01     2.032614654        0.9674501791    
FOB,PFOB,DIAG,PSTEP=    0.3181634008E-05    0.3081340188E-05     602.5781327       -0.5113428680E-08
J1,K1,R1,R2,RAT=  11  11   -0.1974686649E-01     2.019775062        0.9802531335    
FOB,PFOB,DIAG,PSTEP=   -0.2215228194E-05   -0.2172332048E-05     587.1509992        0.3699732140E-08
J1,K1,R1,R2,RAT= 109 109    0.4663741337E-02     1.995247855        0.9952478551    
FOB,PFOB,DIAG,PSTEP=   -0.7251921863E-04   -0.7285902931E-04     13.85208921        0.5260018822E-05
J1,K1,R1,R2,RAT= 110 110   -0.4559672860         226.6035331        0.5440327140    
FOB,PFOB,DIAG,PSTEP=    0.1389495350E-01    0.1383914747E-01     12.23904172       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1686872231E-02     1.998099433        0.9980994326    
FOB,PFOB,DIAG,PSTEP=    0.6389979821E-04    0.6400778270E-04     10.05119600       -0.6368856251E-05
J1,K1,R1,R2,RAT= 112 112   -0.7116216446         203.6682661        0.2883783554    
FOB,PFOB,DIAG,PSTEP=    0.1910445848E-01    0.1897142047E-01     8.505538287       -0.2197985218E-04
J1,K1,R1,R2,RAT= 113 113   -0.8826659305         276.0319337        0.1173340695    
FOB,PFOB,DIAG,PSTEP=    0.3876003730E-01    0.3851294188E-01     6.191579903       -0.4521336668E-04
J1,K1,R1,R2,RAT= 114 114    0.9766381454        -1162.680226        0.2336185457E-01
FOB,PFOB,DIAG,PSTEP=   -0.8352286681       -0.8338266806         3.588809956       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001      0.00002      0.00003     -0.00001      0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00002      0.00001     -0.00001     -0.00003     -0.00001      0.00008 
    -0.00003     -0.00002      0.00008      0.00002     -0.00005      0.00002 
    -0.00001      0.00002      0.00003      0.00002      0.00001     -0.00006 
    -0.00002     -0.00002     -0.00005      0.00002      0.00001     -0.00005 
    -0.00006      0.00006      0.00002     -0.00006      0.00001      0.00001 
    -0.00004      0.00006      0.00012     -0.00008     -0.00002     -0.00011 
    -0.00005      0.00015      0.00007     -0.00006      0.00004      0.00000 
    -0.00007      0.01389      0.00006      0.01910      0.03876     -0.83523 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4016462842
 Log product of positive Hessian eigenvalues =          519.3258272279
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5888099556
 Unscaled step for mode    7=        0.0000000110
 Unscaled step for mode    8=        0.0000000112
 Unscaled step for mode    9=        0.0000000049
 Unscaled step for mode   10=       -0.0000000053
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000143
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000087
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000161
 Unscaled step for mode   17=       -0.0000000085
 Unscaled step for mode   18=       -0.0000000096
 Unscaled step for mode   19=        0.0000000480
 Unscaled step for mode   20=       -0.0000000092
 Unscaled step for mode   21=       -0.0000000108
 Unscaled step for mode   22=        0.0000000320
 Unscaled step for mode   23=       -0.0000000065
 Unscaled step for mode   24=        0.0000000192
 Unscaled step for mode   25=        0.0000000694
 Unscaled step for mode   26=        0.0000001092
 Unscaled step for mode   27=        0.0000000533
 Unscaled step for mode   28=       -0.0000000348
 Unscaled step for mode   29=       -0.0000000990
 Unscaled step for mode   30=        0.0000000764
 Unscaled step for mode   31=        0.0000000802
 Unscaled step for mode   32=        0.0000000417
 Unscaled step for mode   33=       -0.0000000557
 Unscaled step for mode   34=        0.0000000703
 Unscaled step for mode   35=       -0.0000000958
 Unscaled step for mode   36=       -0.0000000959
 Unscaled step for mode   37=       -0.0000000803
 Unscaled step for mode   38=       -0.0000000219
 Unscaled step for mode   39=        0.0000000915
 Unscaled step for mode   40=        0.0000001305
 Unscaled step for mode   41=        0.0000002097
 Unscaled step for mode   42=        0.0000000958
 Unscaled step for mode   43=        0.0000000939
 Unscaled step for mode   44=        0.0000001987
 Unscaled step for mode   45=       -0.0000000315
 Unscaled step for mode   46=       -0.0000001729
 Unscaled step for mode   47=        0.0000001314
 Unscaled step for mode   48=       -0.0000000336
 Unscaled step for mode   49=       -0.0000001630
 Unscaled step for mode   50=        0.0000000349
 Unscaled step for mode   51=        0.0000001006
 Unscaled step for mode   52=        0.0000000468
 Unscaled step for mode   53=        0.0000000886
 Unscaled step for mode   54=        0.0000001475
 Unscaled step for mode   55=       -0.0000001460
 Unscaled step for mode   56=       -0.0000000505
 Unscaled step for mode   57=       -0.0000001057
 Unscaled step for mode   58=       -0.0000001825
 Unscaled step for mode   59=        0.0000000515
 Unscaled step for mode   60=       -0.0000001752
 Unscaled step for mode   61=        0.0000002631
 Unscaled step for mode   62=        0.0000001700
 Unscaled step for mode   63=       -0.0000001197
 Unscaled step for mode   64=        0.0000003278
 Unscaled step for mode   65=       -0.0000001863
 Unscaled step for mode   66=        0.0000000762
 Unscaled step for mode   67=        0.0000001432
 Unscaled step for mode   68=       -0.0000000710
 Unscaled step for mode   69=        0.0000000758
 Unscaled step for mode   70=        0.0000003014
 Unscaled step for mode   71=        0.0000000670
 Unscaled step for mode   72=       -0.0000007953
 Unscaled step for mode   73=        0.0000002786
 Unscaled step for mode   74=        0.0000002158
 Unscaled step for mode   75=       -0.0000008611
 Unscaled step for mode   76=       -0.0000002154
 Unscaled step for mode   77=        0.0000004907
 Unscaled step for mode   78=       -0.0000001768
 Unscaled step for mode   79=        0.0000000694
 Unscaled step for mode   80=       -0.0000002329
 Unscaled step for mode   81=       -0.0000003665
 Unscaled step for mode   82=       -0.0000002390
 Unscaled step for mode   83=       -0.0000001691
 Unscaled step for mode   84=        0.0000008205
 Unscaled step for mode   85=        0.0000002923
 Unscaled step for mode   86=        0.0000003118
 Unscaled step for mode   87=        0.0000007246
 Unscaled step for mode   88=       -0.0000002979
 Unscaled step for mode   89=       -0.0000001507
 Unscaled step for mode   90=        0.0000008120
 Unscaled step for mode   91=        0.0000009499
 Unscaled step for mode   92=       -0.0000010779
 Unscaled step for mode   93=       -0.0000003550
 Unscaled step for mode   94=        0.0000010862
 Unscaled step for mode   95=       -0.0000001474
 Unscaled step for mode   96=       -0.0000002291
 Unscaled step for mode   97=        0.0000009274
 Unscaled step for mode   98=       -0.0000014186
 Unscaled step for mode   99=       -0.0000030690
 Unscaled step for mode  100=        0.0000021272
 Unscaled step for mode  101=        0.0000006463
 Unscaled step for mode  102=        0.0000039125
 Unscaled step for mode  103=        0.0000017376
 Unscaled step for mode  104=       -0.0000054636
 Unscaled step for mode  105=       -0.0000031925
 Unscaled step for mode  106=        0.0000028288
 Unscaled step for mode  107=       -0.0000017740
 Unscaled step for mode  108=       -0.0000001965
 Unscaled step for mode  109=        0.0000052353
 Unscaled step for mode  110=       -0.0011352960
 Unscaled step for mode  111=       -0.0000063574
 Unscaled step for mode  112=       -0.0022461085
 Unscaled step for mode  113=       -0.0062598754
 Unscaled step for mode  114=       -0.2213305153
 Largest modulus ratio of non-zero e/values=           206.4967714    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.299890E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.119815E-14    0.100681E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.488189E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.208384E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.976228E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.628702E-15    0.974093E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.817995E-05    0.741078E+03  0.110379E-07 0.100000E-04    0.994799E+00
   8   -0.753000E-05    0.674455E+03  0.111646E-07 0.100000E-04    0.992474E+00
   9   -0.309737E-05    0.628584E+03  0.492754E-08 0.100000E-04    0.985136E+00
  10    0.318163E-05    0.602578E+03 -0.528004E-08 0.100000E-04    0.967450E+00
  11   -0.221523E-05    0.587151E+03  0.377284E-08 0.100000E-04    0.980253E+00
  12   -0.826713E-05    0.576437E+03  0.143418E-07 0.100000E-04    0.988612E+00
  13   -0.346308E-05    0.566897E+03  0.610883E-08 0.100000E-04    0.989257E+00
  14    0.421357E-05    0.486059E+03 -0.866885E-08 0.100000E-04    0.995114E+00
  15    0.222665E-05    0.462299E+03 -0.481646E-08 0.100000E-04    0.994143E+00
  16    0.739581E-05    0.460557E+03 -0.160584E-07 0.100000E-04    0.991741E+00
  17    0.377093E-05    0.441700E+03 -0.853731E-08 0.100000E-04    0.971019E+00
  18    0.411294E-05    0.428915E+03 -0.958916E-08 0.100000E-04    0.993254E+00
  19   -0.202527E-04    0.422101E+03  0.479808E-07 0.100000E-04    0.995464E+00
  20    0.376313E-05    0.408554E+03 -0.921084E-08 0.100000E-04    0.990036E+00
  21    0.428948E-05    0.396800E+03 -0.108102E-07 0.100000E-04    0.990660E+00
  22   -0.124359E-04    0.388385E+03  0.320194E-07 0.100000E-04    0.997407E+00
  23    0.240786E-05    0.369058E+03 -0.652434E-08 0.100000E-04    0.945945E+00
  24   -0.691699E-05    0.360805E+03  0.191710E-07 0.100000E-04    0.998837E+00
  25   -0.242872E-04    0.349933E+03  0.694054E-07 0.100000E-04    0.997649E+00
  26   -0.365788E-04    0.334990E+03  0.109194E-06 0.100000E-04    0.997586E+00
  27   -0.174680E-04    0.327828E+03  0.532840E-07 0.100000E-04    0.998673E+00
  28    0.111937E-04    0.321723E+03 -0.347929E-07 0.100000E-04    0.997887E+00
  29    0.316218E-04    0.319504E+03 -0.989716E-07 0.100000E-04    0.991906E+00
  30   -0.237330E-04    0.310478E+03  0.764400E-07 0.100000E-04    0.991689E+00
  31   -0.242199E-04    0.302092E+03  0.801741E-07 0.100000E-04    0.996434E+00
  32   -0.120817E-04    0.289799E+03  0.416901E-07 0.100000E-04    0.998794E+00
  33    0.155119E-04    0.278347E+03 -0.557284E-07 0.100000E-04    0.991601E+00
  34   -0.191033E-04    0.271751E+03  0.702969E-07 0.100000E-04    0.992085E+00
  35    0.256654E-04    0.267825E+03 -0.958292E-07 0.100000E-04    0.995255E+00
  36    0.253797E-04    0.264737E+03 -0.958677E-07 0.100000E-04    0.999305E+00
  37    0.210297E-04    0.261886E+03 -0.803010E-07 0.100000E-04    0.998547E+00
  38    0.556142E-05    0.253738E+03 -0.219180E-07 0.100000E-04    0.993572E+00
  39   -0.221193E-04    0.241719E+03  0.915085E-07 0.100000E-04    0.997141E+00
  40   -0.312963E-04    0.239784E+03  0.130519E-06 0.100000E-04    0.995858E+00
  41   -0.490400E-04    0.233867E+03  0.209692E-06 0.100000E-04    0.999665E+00
  42   -0.218132E-04    0.227784E+03  0.957629E-07 0.100000E-04    0.996290E+00
  43   -0.204399E-04    0.217765E+03  0.938622E-07 0.100000E-04    0.992621E+00
  44   -0.426340E-04    0.214610E+03  0.198658E-06 0.100000E-04    0.998901E+00
  45    0.671147E-05    0.213077E+03 -0.314979E-07 0.100000E-04    0.964511E+00
  46    0.358346E-04    0.207235E+03 -0.172918E-06 0.100000E-04    0.999479E+00
  47   -0.267239E-04    0.203422E+03  0.131372E-06 0.100000E-04    0.994138E+00
  48    0.660032E-05    0.196444E+03 -0.335989E-07 0.100000E-04    0.980522E+00
  49    0.317543E-04    0.194849E+03 -0.162968E-06 0.100000E-04    0.996034E+00
  50   -0.667831E-05    0.191330E+03  0.349046E-07 0.100000E-04    0.930393E+00
  51   -0.184237E-04    0.183168E+03  0.100584E-06 0.100000E-04    0.998045E+00
  52   -0.814475E-05    0.174118E+03  0.467773E-07 0.100000E-04    0.991629E+00
  53   -0.152705E-04    0.172319E+03  0.886173E-07 0.100000E-04    0.995727E+00
  54   -0.247625E-04    0.167833E+03  0.147542E-06 0.100000E-04    0.999676E+00
  55    0.239436E-04    0.164002E+03 -0.145996E-06 0.100000E-04    0.999596E+00
  56    0.796828E-05    0.157665E+03 -0.505392E-07 0.100000E-04    0.996615E+00
  57    0.163293E-04    0.154534E+03 -0.105668E-06 0.100000E-04    0.990457E+00
  58    0.277378E-04    0.152008E+03 -0.182476E-06 0.100000E-04    0.999347E+00
  59   -0.760117E-05    0.147533E+03  0.515220E-07 0.100000E-04    0.988159E+00
  60    0.251380E-04    0.143496E+03 -0.175183E-06 0.100000E-04    0.999265E+00
  61   -0.361984E-04    0.137571E+03  0.263126E-06 0.100000E-04    0.988533E+00
  62   -0.231067E-04    0.135931E+03  0.169989E-06 0.100000E-04    0.996569E+00
  63    0.156176E-04    0.130499E+03 -0.119676E-06 0.100000E-04    0.981915E+00
  64   -0.421489E-04    0.128565E+03  0.327842E-06 0.100000E-04    0.995252E+00
  65    0.235759E-04    0.126569E+03 -0.186270E-06 0.100000E-04    0.987651E+00
  66   -0.952256E-05    0.124966E+03  0.762011E-07 0.100000E-04    0.997635E+00
  67   -0.171752E-04    0.119918E+03  0.143225E-06 0.100000E-04    0.993817E+00
  68    0.839144E-05    0.118147E+03 -0.710257E-07 0.100000E-04    0.996242E+00
  69   -0.888139E-05    0.117112E+03  0.758370E-07 0.100000E-04    0.981383E+00
  70   -0.332929E-04    0.110459E+03  0.301406E-06 0.100000E-04    0.991800E+00
  71   -0.718098E-05    0.107177E+03  0.670014E-07 0.100000E-04    0.990502E+00
  72    0.830839E-04    0.104462E+03 -0.795348E-06 0.100000E-04    0.994746E+00
  73   -0.286934E-04    0.102994E+03  0.278592E-06 0.100000E-04    0.998808E+00
  74   -0.215108E-04    0.996665E+02  0.215828E-06 0.100000E-04    0.995652E+00
  75    0.825617E-04    0.958805E+02 -0.861089E-06 0.100000E-04    0.999360E+00
  76    0.202642E-04    0.940649E+02 -0.215427E-06 0.100000E-04    0.987103E+00
  77   -0.457139E-04    0.931668E+02  0.490667E-06 0.100000E-04    0.990023E+00
  78    0.160797E-04    0.909333E+02 -0.176830E-06 0.100000E-04    0.996679E+00
  79   -0.617869E-05    0.890280E+02  0.694017E-07 0.100000E-04    0.995315E+00
  80    0.198705E-04    0.853322E+02 -0.232860E-06 0.100000E-04    0.992371E+00
  81    0.296372E-04    0.808622E+02 -0.366516E-06 0.100000E-04    0.999304E+00
  82    0.191371E-04    0.800799E+02 -0.238974E-06 0.100000E-04    0.992680E+00
  83    0.132135E-04    0.781456E+02 -0.169088E-06 0.100000E-04    0.979934E+00
  84   -0.600156E-04    0.731432E+02  0.820522E-06 0.100000E-04    0.989453E+00
  85   -0.212476E-04    0.726944E+02  0.292287E-06 0.100000E-04    0.990535E+00
  86   -0.212582E-04    0.681718E+02  0.311833E-06 0.100000E-04    0.986556E+00
  87   -0.473374E-04    0.653299E+02  0.724591E-06 0.100000E-04    0.992779E+00
  88    0.185658E-04    0.623202E+02 -0.297910E-06 0.100000E-04    0.990442E+00
  89    0.903725E-05    0.599719E+02 -0.150691E-06 0.100000E-04    0.963602E+00
  90   -0.482209E-04    0.593875E+02  0.811972E-06 0.100000E-04    0.996063E+00
  91   -0.557709E-04    0.587114E+02  0.949916E-06 0.100000E-04    0.984179E+00
  92    0.603895E-04    0.560251E+02 -0.107790E-05 0.100000E-04    0.991992E+00
  93    0.186554E-04    0.525531E+02 -0.354982E-06 0.100000E-04    0.982092E+00
  94   -0.567938E-04    0.522860E+02  0.108622E-05 0.100000E-04    0.997019E+00
  95    0.737039E-05    0.500148E+02 -0.147364E-06 0.100000E-04    0.939419E+00
  96    0.107329E-04    0.468413E+02 -0.229134E-06 0.100000E-04    0.949145E+00
  97   -0.398627E-04    0.429823E+02  0.927422E-06 0.100000E-04    0.975357E+00
  98    0.577481E-04    0.407078E+02 -0.141860E-05 0.100000E-04    0.991549E+00
  99    0.116117E-03    0.378348E+02 -0.306904E-05 0.100000E-04    0.993429E+00
 100   -0.774829E-04    0.364250E+02  0.212719E-05 0.100000E-04    0.999484E+00
 101   -0.214371E-04    0.331711E+02  0.646258E-06 0.100000E-04    0.939590E+00
 102   -0.112629E-03    0.287865E+02  0.391255E-05 0.100000E-04    0.993468E+00
 103   -0.495270E-04    0.285038E+02  0.173756E-05 0.100000E-04    0.999448E+00
 104    0.145342E-03    0.266018E+02 -0.546360E-05 0.100000E-04    0.990572E+00
 105    0.741242E-04    0.232180E+02 -0.319253E-05 0.100000E-04    0.991229E+00
 106   -0.596349E-04    0.210812E+02  0.282881E-05 0.100000E-04    0.985783E+00
 107    0.361315E-04    0.203670E+02 -0.177402E-05 0.100000E-04    0.896364E+00
 108    0.327822E-05    0.166850E+02 -0.196478E-06 0.100000E-04    0.256292E+01
 109   -0.725192E-04    0.138521E+02  0.523525E-05 0.100000E-04    0.995248E+00
 110    0.138950E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.544033E+00
 111    0.638998E-04    0.100512E+02 -0.635743E-05 0.100000E-04    0.998099E+00
 112    0.191045E-01    0.850554E+01 -0.198017E-04 0.198017E-04    0.288378E+00
 113    0.387600E-01    0.619158E+01 -0.492826E-04 0.492826E-04    0.117334E+00
 114   -0.835229E+00    0.358881E+01 -0.400000E-03 0.400000E-03    0.233619E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2213305153    

 Beginning of optimization cycle  448.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3212754171
 potential> RMS force:                                               0.0784740359   |gradient|=.8378734218    
 Eigenvalues of the Hessian matrix:
   741.14664    674.46056    628.60132    602.55882    587.14252    576.47745 
   566.89038    486.08574    462.27641    460.54963    441.70409    428.91051 
   422.10098    408.55574    396.79535    388.37836    369.07058    360.79853 
   349.92446    334.98834    327.84722    321.72768    319.49072    310.46547 
   302.07267    289.81026    278.34590    271.76401    267.83284    264.73791 
   261.91101    253.73256    241.71382    239.79664    233.86084    227.77576 
   217.74600    214.61563    213.08294    207.23783    203.41851    196.43299 
   194.84582    191.32865    183.15932    174.11358    172.32040    167.83726 
   163.99231    157.65313    154.53817    152.01373    147.52204    143.49693 
   137.57582    135.93033    130.49736    128.56868    126.57319    124.95882 
   119.91901    118.14694    117.11136    110.45505    107.17234    104.46038 
   102.99230     99.66551     95.88423     94.07017     93.14905     90.93649 
    89.02110     85.33515     80.86144     80.08263     78.14402     73.14747 
    72.69708     68.17035     65.32217     62.30799     59.97220     59.38694 
    58.70374     56.02426     52.55237     52.28461     50.01503     46.83376 
    42.98493     40.71070     37.83720     36.42618     33.15843     28.78662 
    28.50260     26.59485     23.21987     21.08505     20.35924     16.68291 
    13.85270     12.23903     10.05228      8.50503      6.18291      3.58296 
overlap for current and previous eigenvector    109 is         0.9999998044
overlap for current and previous eigenvector    110 is         0.9999997286
overlap for current and previous eigenvector    111 is         0.9999997695
overlap for current and previous eigenvector    112 is         0.9999994759
overlap for current and previous eigenvector    113 is         0.9999991940
overlap for current and previous eigenvector    114 is         0.9999995822
J1,K1,R1,R2,RAT=   7   7   -0.3631665916E-02     2.003445538        0.9963683341    
FOB,PFOB,DIAG,PSTEP=   -0.8209662170E-05   -0.8179952550E-05     741.1466429        0.1103791531E-07
J1,K1,R1,R2,RAT=   8   8   -0.1206216395E-01     2.012044899        0.9879378361    
FOB,PFOB,DIAG,PSTEP=   -0.7620830246E-05   -0.7530001351E-05     674.4605637        0.1116457620E-07
J1,K1,R1,R2,RAT=   9   9   -0.2514569932E-01     2.025090488        0.9748543007    
FOB,PFOB,DIAG,PSTEP=   -0.3175257351E-05   -0.3097369674E-05     628.6013231        0.4927535255E-08
J1,K1,R1,R2,RAT=  10  10    0.2012339730E-01     1.979940696        0.9798766027    
FOB,PFOB,DIAG,PSTEP=    0.3117610775E-05    0.3181634008E-05     602.5588227       -0.5280035626E-08
J1,K1,R1,R2,RAT=  11  11   -0.3815841200E-02     2.003844718        0.9961841588    
FOB,PFOB,DIAG,PSTEP=   -0.2223681031E-05   -0.2215228194E-05     587.1425219        0.3772842415E-08
J1,K1,R1,R2,RAT= 109 109    0.1661541782E-02     1.998250821        0.9982508206    
FOB,PFOB,DIAG,PSTEP=   -0.7239871964E-04   -0.7251921863E-04     13.85269622        0.5235254952E-05
J1,K1,R1,R2,RAT= 110 110   -0.4283897083         227.4880818        0.5716102917    
FOB,PFOB,DIAG,PSTEP=    0.1394738425E-01    0.1389495350E-01     12.23903139       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.5953757523E-02     1.993830981        0.9938309814    
FOB,PFOB,DIAG,PSTEP=    0.6351931335E-04    0.6389979821E-04     10.05227794       -0.6357432307E-05
J1,K1,R1,R2,RAT= 112 112   -0.9261043473         227.8013272        0.7389565267E-01
FOB,PFOB,DIAG,PSTEP=    0.1926042722E-01    0.1910445848E-01     8.505030394       -0.1980166863E-04
J1,K1,R1,R2,RAT= 113 113   -0.8070110082         255.2132514        0.1929889918    
FOB,PFOB,DIAG,PSTEP=    0.3900594146E-01    0.3876003730E-01     6.182912170       -0.4928256969E-04
J1,K1,R1,R2,RAT= 114 114    0.9756937839        -1166.531896        0.2430621610E-01
FOB,PFOB,DIAG,PSTEP=   -0.8366270175       -0.8352286681         3.582961793       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00001      0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00002      0.00001     -0.00001     -0.00003     -0.00001      0.00008 
    -0.00003     -0.00002      0.00008      0.00002     -0.00005      0.00002 
    -0.00001      0.00002      0.00003      0.00002      0.00001     -0.00006 
    -0.00002     -0.00002     -0.00005      0.00002      0.00001     -0.00005 
    -0.00006      0.00006      0.00002     -0.00006      0.00001      0.00001 
     0.00004      0.00006      0.00012      0.00008     -0.00002     -0.00011 
    -0.00005      0.00014      0.00007      0.00006     -0.00004      0.00000 
    -0.00007      0.01395      0.00006      0.01926      0.03901     -0.83663 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4013874480
 Log product of positive Hessian eigenvalues =          519.3213006716
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5829617926
 Unscaled step for mode    7=        0.0000000111
 Unscaled step for mode    8=        0.0000000113
 Unscaled step for mode    9=        0.0000000051
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000146
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000089
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000083
 Unscaled step for mode   18=       -0.0000000096
 Unscaled step for mode   19=        0.0000000479
 Unscaled step for mode   20=       -0.0000000090
 Unscaled step for mode   21=       -0.0000000106
 Unscaled step for mode   22=        0.0000000321
 Unscaled step for mode   23=       -0.0000000068
 Unscaled step for mode   24=        0.0000000193
 Unscaled step for mode   25=        0.0000000695
 Unscaled step for mode   26=        0.0000001090
 Unscaled step for mode   27=        0.0000000533
 Unscaled step for mode   28=       -0.0000000346
 Unscaled step for mode   29=       -0.0000000991
 Unscaled step for mode   30=        0.0000000767
 Unscaled step for mode   31=        0.0000000808
 Unscaled step for mode   32=        0.0000000419
 Unscaled step for mode   33=       -0.0000000554
 Unscaled step for mode   34=        0.0000000703
 Unscaled step for mode   35=       -0.0000000962
 Unscaled step for mode   36=       -0.0000000963
 Unscaled step for mode   37=       -0.0000000801
 Unscaled step for mode   38=       -0.0000000222
 Unscaled step for mode   39=        0.0000000914
 Unscaled step for mode   40=        0.0000001312
 Unscaled step for mode   41=        0.0000002101
 Unscaled step for mode   42=        0.0000000965
 Unscaled step for mode   43=        0.0000000942
 Unscaled step for mode   44=        0.0000002000
 Unscaled step for mode   45=       -0.0000000317
 Unscaled step for mode   46=       -0.0000001735
 Unscaled step for mode   47=        0.0000001315
 Unscaled step for mode   48=       -0.0000000331
 Unscaled step for mode   49=       -0.0000001639
 Unscaled step for mode   50=        0.0000000328
 Unscaled step for mode   51=        0.0000001008
 Unscaled step for mode   52=        0.0000000471
 Unscaled step for mode   53=        0.0000000884
 Unscaled step for mode   54=        0.0000001483
 Unscaled step for mode   55=       -0.0000001463
 Unscaled step for mode   56=       -0.0000000503
 Unscaled step for mode   57=        0.0000001057
 Unscaled step for mode   58=        0.0000001827
 Unscaled step for mode   59=        0.0000000514
 Unscaled step for mode   60=       -0.0000001753
 Unscaled step for mode   61=        0.0000002612
 Unscaled step for mode   62=        0.0000001696
 Unscaled step for mode   63=       -0.0000001164
 Unscaled step for mode   64=        0.0000003283
 Unscaled step for mode   65=       -0.0000001842
 Unscaled step for mode   66=        0.0000000745
 Unscaled step for mode   67=        0.0000001452
 Unscaled step for mode   68=       -0.0000000706
 Unscaled step for mode   69=        0.0000000751
 Unscaled step for mode   70=        0.0000003041
 Unscaled step for mode   71=        0.0000000672
 Unscaled step for mode   72=       -0.0000007951
 Unscaled step for mode   73=        0.0000002776
 Unscaled step for mode   74=        0.0000002133
 Unscaled step for mode   75=       -0.0000008596
 Unscaled step for mode   76=       -0.0000002091
 Unscaled step for mode   77=        0.0000004927
 Unscaled step for mode   78=       -0.0000001804
 Unscaled step for mode   79=        0.0000000682
 Unscaled step for mode   80=       -0.0000002335
 Unscaled step for mode   81=       -0.0000003678
 Unscaled step for mode   82=       -0.0000002431
 Unscaled step for mode   83=       -0.0000001719
 Unscaled step for mode   84=        0.0000008160
 Unscaled step for mode   85=        0.0000002826
 Unscaled step for mode   86=        0.0000003118
 Unscaled step for mode   87=        0.0000007234
 Unscaled step for mode   88=       -0.0000002976
 Unscaled step for mode   89=       -0.0000001589
 Unscaled step for mode   90=        0.0000008086
 Unscaled step for mode   91=        0.0000009488
 Unscaled step for mode   92=       -0.0000010842
 Unscaled step for mode   93=       -0.0000003655
 Unscaled step for mode   94=        0.0000010806
 Unscaled step for mode   95=       -0.0000001334
 Unscaled step for mode   96=       -0.0000002305
 Unscaled step for mode   97=       -0.0000009080
 Unscaled step for mode   98=       -0.0000014129
 Unscaled step for mode   99=       -0.0000030463
 Unscaled step for mode  100=       -0.0000021268
 Unscaled step for mode  101=        0.0000006134
 Unscaled step for mode  102=        0.0000039019
 Unscaled step for mode  103=        0.0000017465
 Unscaled step for mode  104=       -0.0000054475
 Unscaled step for mode  105=       -0.0000031965
 Unscaled step for mode  106=       -0.0000028042
 Unscaled step for mode  107=        0.0000019283
 Unscaled step for mode  108=       -0.0000000744
 Unscaled step for mode  109=        0.0000052263
 Unscaled step for mode  110=       -0.0011395809
 Unscaled step for mode  111=       -0.0000063189
 Unscaled step for mode  112=       -0.0022645808
 Unscaled step for mode  113=       -0.0063084172
 Unscaled step for mode  114=       -0.2219942276
 Largest modulus ratio of non-zero e/values=           206.8530690    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.890889E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.208763E-14    0.100681E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.139781E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.732053E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.831149E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.171399E-15    0.974094E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.820966E-05    0.741147E+03  0.110770E-07 0.100000E-04    0.996368E+00
   8   -0.762083E-05    0.674461E+03  0.112991E-07 0.100000E-04    0.987938E+00
   9   -0.317526E-05    0.628601E+03  0.505131E-08 0.100000E-04    0.974854E+00
  10    0.311761E-05    0.602559E+03 -0.517395E-08 0.100000E-04    0.979877E+00
  11   -0.222368E-05    0.587143E+03  0.378729E-08 0.100000E-04    0.996184E+00
  12   -0.841948E-05    0.576477E+03  0.146050E-07 0.100000E-04    0.981573E+00
  13   -0.350750E-05    0.566890E+03  0.618727E-08 0.100000E-04    0.987172E+00
  14    0.431869E-05    0.486086E+03 -0.888462E-08 0.100000E-04    0.975054E+00
  15    0.226192E-05    0.462276E+03 -0.489300E-08 0.100000E-04    0.984159E+00
  16    0.734791E-05    0.460550E+03 -0.159546E-07 0.100000E-04    0.993523E+00
  17    0.367117E-05    0.441704E+03 -0.831139E-08 0.100000E-04    0.973529E+00
  18    0.409976E-05    0.428911E+03 -0.955855E-08 0.100000E-04    0.996797E+00
  19   -0.202350E-04    0.422101E+03  0.479388E-07 0.100000E-04    0.999125E+00
  20    0.369352E-05    0.408556E+03 -0.904044E-08 0.100000E-04    0.981497E+00
  21    0.420945E-05    0.396795E+03 -0.106086E-07 0.100000E-04    0.981343E+00
  22   -0.124587E-04    0.388378E+03  0.320787E-07 0.100000E-04    0.998168E+00
  23    0.252562E-05    0.369071E+03 -0.684319E-08 0.100000E-04    0.951095E+00
  24   -0.697372E-05    0.360799E+03  0.193286E-07 0.100000E-04    0.991798E+00
  25   -0.243110E-04    0.349924E+03  0.694750E-07 0.100000E-04    0.999020E+00
  26   -0.365292E-04    0.334988E+03  0.109046E-06 0.100000E-04    0.998642E+00
  27   -0.174702E-04    0.327847E+03  0.532877E-07 0.100000E-04    0.999873E+00
  28    0.111374E-04    0.321728E+03 -0.346175E-07 0.100000E-04    0.994942E+00
  29    0.316628E-04    0.319491E+03 -0.991039E-07 0.100000E-04    0.998705E+00
  30   -0.238221E-04    0.310465E+03  0.767302E-07 0.100000E-04    0.996245E+00
  31   -0.244175E-04    0.302073E+03  0.808332E-07 0.100000E-04    0.991843E+00
  32   -0.121398E-04    0.289810E+03  0.418887E-07 0.100000E-04    0.995198E+00
  33    0.154199E-04    0.278346E+03 -0.553984E-07 0.100000E-04    0.994074E+00
  34   -0.191125E-04    0.271764E+03  0.703274E-07 0.100000E-04    0.999520E+00
  35    0.257770E-04    0.267833E+03 -0.962427E-07 0.100000E-04    0.995655E+00
  36    0.255016E-04    0.264738E+03 -0.963278E-07 0.100000E-04    0.995196E+00
  37    0.209847E-04    0.261911E+03 -0.801214E-07 0.100000E-04    0.997667E+00
  38    0.562146E-05    0.253733E+03 -0.221551E-07 0.100000E-04    0.989205E+00
  39   -0.220859E-04    0.241714E+03  0.913723E-07 0.100000E-04    0.998491E+00
  40   -0.314706E-04    0.239797E+03  0.131239E-06 0.100000E-04    0.994432E+00
  41   -0.491316E-04    0.233861E+03  0.210089E-06 0.100000E-04    0.998132E+00
  42   -0.219876E-04    0.227776E+03  0.965319E-07 0.100000E-04    0.992005E+00
  43   -0.205208E-04    0.217746E+03  0.942418E-07 0.100000E-04    0.996043E+00
  44   -0.429277E-04    0.214616E+03  0.200021E-06 0.100000E-04    0.993112E+00
  45    0.675310E-05    0.213083E+03 -0.316924E-07 0.100000E-04    0.993797E+00
  46    0.359532E-04    0.207238E+03 -0.173488E-06 0.100000E-04    0.996689E+00
  47   -0.267404E-04    0.203419E+03  0.131455E-06 0.100000E-04    0.999380E+00
  48    0.650164E-05    0.196433E+03 -0.330985E-07 0.100000E-04    0.985049E+00
  49    0.319379E-04    0.194846E+03 -0.163914E-06 0.100000E-04    0.994217E+00
  50   -0.626986E-05    0.191329E+03  0.327701E-07 0.100000E-04    0.938839E+00
  51   -0.184698E-04    0.183159E+03  0.100840E-06 0.100000E-04    0.997498E+00
  52   -0.820229E-05    0.174114E+03  0.471088E-07 0.100000E-04    0.992936E+00
  53   -0.152377E-04    0.172320E+03  0.884268E-07 0.100000E-04    0.997843E+00
  54   -0.248909E-04    0.167837E+03  0.148304E-06 0.100000E-04    0.994817E+00
  55    0.239852E-04    0.163992E+03 -0.146258E-06 0.100000E-04    0.998266E+00
  56    0.793719E-05    0.157653E+03 -0.503459E-07 0.100000E-04    0.996098E+00
  57   -0.163289E-04    0.154538E+03  0.105663E-06 0.100000E-04    0.999926E+00
  58   -0.277706E-04    0.152014E+03  0.182685E-06 0.100000E-04    0.998819E+00
  59   -0.758811E-05    0.147522E+03  0.514371E-07 0.100000E-04    0.998282E+00
  60    0.251554E-04    0.143497E+03 -0.175302E-06 0.100000E-04    0.999309E+00
  61   -0.359304E-04    0.137576E+03  0.261168E-06 0.100000E-04    0.992524E+00
  62   -0.230530E-04    0.135930E+03  0.169594E-06 0.100000E-04    0.997674E+00
  63    0.151862E-04    0.130497E+03 -0.116371E-06 0.100000E-04    0.972377E+00
  64   -0.422088E-04    0.128569E+03  0.328297E-06 0.100000E-04    0.998581E+00
  65    0.233206E-04    0.126573E+03 -0.184246E-06 0.100000E-04    0.989099E+00
  66   -0.930837E-05    0.124959E+03  0.744915E-07 0.100000E-04    0.977507E+00
  67   -0.174160E-04    0.119919E+03  0.145231E-06 0.100000E-04    0.985982E+00
  68    0.834461E-05    0.118147E+03 -0.706291E-07 0.100000E-04    0.994414E+00
  69   -0.880051E-05    0.117111E+03  0.751465E-07 0.100000E-04    0.990893E+00
  70   -0.335878E-04    0.110455E+03  0.304086E-06 0.100000E-04    0.991141E+00
  71   -0.719690E-05    0.107172E+03  0.671526E-07 0.100000E-04    0.997782E+00
  72    0.830554E-04    0.104460E+03 -0.795090E-06 0.100000E-04    0.999657E+00
  73   -0.285907E-04    0.102992E+03  0.277600E-06 0.100000E-04    0.996419E+00
  74   -0.212636E-04    0.996655E+02  0.213350E-06 0.100000E-04    0.988509E+00
  75    0.824198E-04    0.958842E+02 -0.859576E-06 0.100000E-04    0.998204E+00
  76    0.196734E-04    0.940702E+02 -0.209135E-06 0.100000E-04    0.970736E+00
  77   -0.458982E-04    0.931491E+02  0.492739E-06 0.100000E-04    0.995968E+00
  78    0.164091E-04    0.909365E+02 -0.180446E-06 0.100000E-04    0.979516E+00
  79   -0.607208E-05    0.890211E+02  0.682094E-07 0.100000E-04    0.982744E+00
  80    0.199263E-04    0.853351E+02 -0.233506E-06 0.100000E-04    0.997192E+00
  81    0.297390E-04    0.808614E+02 -0.367778E-06 0.100000E-04    0.996566E+00
  82    0.194689E-04    0.800826E+02 -0.243110E-06 0.100000E-04    0.982661E+00
  83    0.134296E-04    0.781440E+02 -0.171857E-06 0.100000E-04    0.983643E+00
  84   -0.596893E-04    0.731475E+02  0.816013E-06 0.100000E-04    0.994447E+00
  85   -0.205457E-04    0.726971E+02  0.282621E-06 0.100000E-04    0.966893E+00
  86   -0.212546E-04    0.681703E+02  0.311786E-06 0.100000E-04    0.999830E+00
  87   -0.472559E-04    0.653222E+02  0.723429E-06 0.100000E-04    0.998279E+00
  88    0.185420E-04    0.623080E+02 -0.297587E-06 0.100000E-04    0.998721E+00
  89    0.952708E-05    0.599722E+02 -0.158858E-06 0.100000E-04    0.945799E+00
  90   -0.480202E-04    0.593869E+02  0.808598E-06 0.100000E-04    0.995836E+00
  91   -0.556955E-04    0.587037E+02  0.948755E-06 0.100000E-04    0.998647E+00
  92    0.607435E-04    0.560243E+02 -0.108424E-05 0.100000E-04    0.994138E+00
  93    0.192085E-04    0.525524E+02 -0.365512E-06 0.100000E-04    0.970351E+00
  94   -0.564993E-04    0.522846E+02  0.108061E-05 0.100000E-04    0.994814E+00
  95    0.667378E-05    0.500150E+02 -0.133435E-06 0.100000E-04    0.905476E+00
  96    0.107974E-04    0.468338E+02 -0.230547E-06 0.100000E-04    0.993993E+00
  97    0.390320E-04    0.429849E+02 -0.908038E-06 0.100000E-04    0.979038E+00
  98    0.575182E-04    0.407107E+02 -0.141285E-05 0.100000E-04    0.995877E+00
  99    0.115265E-03    0.378372E+02 -0.304633E-05 0.100000E-04    0.992538E+00
 100    0.774708E-04    0.364262E+02 -0.212679E-05 0.100000E-04    0.999777E+00
 101   -0.203391E-04    0.331584E+02  0.613392E-06 0.100000E-04    0.948761E+00
 102   -0.112322E-03    0.287866E+02  0.390189E-05 0.100000E-04    0.997275E+00
 103   -0.497803E-04    0.285026E+02  0.174652E-05 0.100000E-04    0.994885E+00
 104    0.144875E-03    0.265949E+02 -0.544749E-05 0.100000E-04    0.996790E+00
 105    0.742230E-04    0.232199E+02 -0.319653E-05 0.100000E-04    0.998668E+00
 106    0.591270E-04    0.210850E+02 -0.280422E-05 0.100000E-04    0.991126E+00
 107   -0.392588E-04    0.203592E+02  0.192830E-05 0.100000E-04    0.913414E+00
 108    0.124076E-05    0.166829E+02 -0.743729E-07 0.100000E-04    0.378407E+00
 109   -0.723987E-04    0.138527E+02  0.522633E-05 0.100000E-04    0.998251E+00
 110    0.139474E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.571610E+00
 111    0.635193E-04    0.100523E+02 -0.631890E-05 0.100000E-04    0.993831E+00
 112    0.192604E-01    0.850503E+01 -0.215838E-04 0.215838E-04    0.738957E-01
 113    0.390059E-01    0.618291E+01 -0.537180E-04 0.537180E-04    0.192989E+00
 114   -0.836627E+00    0.358296E+01 -0.400000E-03 0.400000E-03    0.243062E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2219942276    

 Beginning of optimization cycle  449.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3209431208
 potential> RMS force:                                               0.0786059163   |gradient|=.8392815191    
 Eigenvalues of the Hessian matrix:
   741.21611    674.46613    628.61927    602.53907    587.13395    576.51790 
   566.88250    486.11247    462.25331    460.54263    441.70769    428.90630 
   422.10105    408.55665    396.79056    388.37096    369.08337    360.79174 
   349.91612    334.98702    327.86632    321.73221    319.47743    310.45250 
   302.05345    289.82158    278.34494    271.77668    267.84069    264.73928 
   261.93638    253.72712    241.70880    239.80962    233.85521    227.76796 
   217.72718    214.62172    213.08902    207.24083    203.41473    196.42141 
   194.84249    191.32718    183.15088    174.10971    172.32155    167.84117 
   163.98216    157.64108    154.54240    152.01917    147.51136    143.49808 
   137.58100    135.92976    130.49601    128.57239    126.57783    124.95130 
   119.92009    118.14727    117.11095    110.45149    107.16814    104.45842 
   102.99016     99.66453     95.88793     94.07530     93.13129     90.93975 
    89.01414     85.33811     80.86071     80.08545     78.14240     73.15171 
    72.69965     68.16889     65.31444     62.29565     59.97250     59.38648 
    58.69603     56.02343     52.55165     52.28318     50.01540     46.82614 
    42.98769     40.71362     37.83958     36.42735     33.14569     28.78675 
    28.50141     26.58796     23.22170     21.08889     20.35144     16.68081 
    13.85332     12.23902     10.05333      8.50484      6.17434      3.57710 
overlap for current and previous eigenvector    109 is         0.9999998030
overlap for current and previous eigenvector    110 is         0.9999997337
overlap for current and previous eigenvector    111 is         0.9999997642
overlap for current and previous eigenvector    112 is         0.9999995439
overlap for current and previous eigenvector    113 is         0.9999992230
overlap for current and previous eigenvector    114 is         0.9999995440
J1,K1,R1,R2,RAT=   7   7   -0.4676398740E-02     2.004488968        0.9953236013    
FOB,PFOB,DIAG,PSTEP=   -0.8248057422E-05   -0.8209662170E-05     741.2161063        0.1107697410E-07
J1,K1,R1,R2,RAT=   8   8   -0.1065475105E-01     2.010638246        0.9893452490    
FOB,PFOB,DIAG,PSTEP=   -0.7702028965E-05   -0.7620830246E-05     674.4661296        0.1129914877E-07
J1,K1,R1,R2,RAT=   9   9   -0.5457830014E-01     2.054521212        0.9454216999    
FOB,PFOB,DIAG,PSTEP=   -0.3348562446E-05   -0.3175257351E-05     628.6192663        0.5051305548E-08
J1,K1,R1,R2,RAT=  10  10   -0.9381640791E-03     2.001003741        0.9990618359    
FOB,PFOB,DIAG,PSTEP=    0.3120535510E-05    0.3117610775E-05     602.5390664       -0.5173952580E-08
J1,K1,R1,R2,RAT=  11  11    0.1909710082E-01     1.980932101        0.9809028992    
FOB,PFOB,DIAG,PSTEP=   -0.2181215790E-05   -0.2223681031E-05     587.1339492        0.3787293456E-08
J1,K1,R1,R2,RAT= 109 109   -0.1966938440E-01     2.019580030        0.9803306156    
FOB,PFOB,DIAG,PSTEP=   -0.7382282151E-04   -0.7239871964E-04     13.85331514        0.5226326955E-05
J1,K1,R1,R2,RAT= 110 110   -0.4062086544         228.3228682        0.5937913456    
FOB,PFOB,DIAG,PSTEP=    0.1399710021E-01    0.1394738425E-01     12.23902130       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1528314529E-01     2.015073036        0.9847168547    
FOB,PFOB,DIAG,PSTEP=    0.6449019024E-04    0.6351931335E-04     10.05333409       -0.6318897442E-05
J1,K1,R1,R2,RAT= 112 112   -0.8430325276         210.6893526        0.1569674724    
FOB,PFOB,DIAG,PSTEP=    0.1941518015E-01    0.1926042722E-01     8.504842346       -0.2158381881E-04
J1,K1,R1,R2,RAT= 113 113   -0.7864109356         235.9935996        0.2135890644    
FOB,PFOB,DIAG,PSTEP=    0.3926677277E-01    0.3900594146E-01     6.174336954       -0.5371800096E-04
J1,K1,R1,R2,RAT= 114 114    0.9739799412        -1170.393606        0.2602005885E-01
FOB,PFOB,DIAG,PSTEP=   -0.8380206283       -0.8366270175         3.577103542       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00001      0.00003 
    -0.00004     -0.00002      0.00001     -0.00004      0.00002     -0.00001 
    -0.00002      0.00001     -0.00001      0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008     -0.00002     -0.00005     -0.00002 
    -0.00001      0.00002      0.00003     -0.00002     -0.00001      0.00006 
     0.00002     -0.00002      0.00005     -0.00002     -0.00001      0.00005 
     0.00006     -0.00006     -0.00002      0.00006      0.00001      0.00001 
     0.00004      0.00006      0.00011      0.00008     -0.00002     -0.00011 
    -0.00005      0.00015      0.00007      0.00006     -0.00004     -0.00000 
    -0.00007      0.01400      0.00006      0.01942      0.03927     -0.83802 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4011246935
 Log product of positive Hessian eigenvalues =          519.3168150919
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5771035419
 Unscaled step for mode    7=        0.0000000111
 Unscaled step for mode    8=        0.0000000114
 Unscaled step for mode    9=        0.0000000053
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000150
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000092
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000158
 Unscaled step for mode   17=       -0.0000000080
 Unscaled step for mode   18=       -0.0000000093
 Unscaled step for mode   19=        0.0000000479
 Unscaled step for mode   20=       -0.0000000087
 Unscaled step for mode   21=       -0.0000000103
 Unscaled step for mode   22=        0.0000000324
 Unscaled step for mode   23=       -0.0000000073
 Unscaled step for mode   24=        0.0000000197
 Unscaled step for mode   25=        0.0000000693
 Unscaled step for mode   26=        0.0000001088
 Unscaled step for mode   27=        0.0000000529
 Unscaled step for mode   28=       -0.0000000343
 Unscaled step for mode   29=       -0.0000000993
 Unscaled step for mode   30=        0.0000000772
 Unscaled step for mode   31=        0.0000000814
 Unscaled step for mode   32=        0.0000000427
 Unscaled step for mode   33=       -0.0000000554
 Unscaled step for mode   34=        0.0000000705
 Unscaled step for mode   35=       -0.0000000967
 Unscaled step for mode   36=       -0.0000000973
 Unscaled step for mode   37=       -0.0000000798
 Unscaled step for mode   38=       -0.0000000224
 Unscaled step for mode   39=        0.0000000911
 Unscaled step for mode   40=        0.0000001327
 Unscaled step for mode   41=        0.0000002107
 Unscaled step for mode   42=        0.0000000980
 Unscaled step for mode   43=        0.0000000944
 Unscaled step for mode   44=        0.0000002020
 Unscaled step for mode   45=       -0.0000000323
 Unscaled step for mode   46=       -0.0000001743
 Unscaled step for mode   47=        0.0000001317
 Unscaled step for mode   48=       -0.0000000323
 Unscaled step for mode   49=       -0.0000001645
 Unscaled step for mode   50=        0.0000000310
 Unscaled step for mode   51=        0.0000001004
 Unscaled step for mode   52=        0.0000000469
 Unscaled step for mode   53=        0.0000000879
 Unscaled step for mode   54=        0.0000001483
 Unscaled step for mode   55=       -0.0000001471
 Unscaled step for mode   56=       -0.0000000521
 Unscaled step for mode   57=        0.0000001050
 Unscaled step for mode   58=        0.0000001832
 Unscaled step for mode   59=        0.0000000525
 Unscaled step for mode   60=       -0.0000001745
 Unscaled step for mode   61=        0.0000002592
 Unscaled step for mode   62=        0.0000001698
 Unscaled step for mode   63=       -0.0000001130
 Unscaled step for mode   64=        0.0000003287
 Unscaled step for mode   65=       -0.0000001814
 Unscaled step for mode   66=        0.0000000735
 Unscaled step for mode   67=        0.0000001486
 Unscaled step for mode   68=       -0.0000000696
 Unscaled step for mode   69=        0.0000000749
 Unscaled step for mode   70=       -0.0000003059
 Unscaled step for mode   71=       -0.0000000679
 Unscaled step for mode   72=       -0.0000007965
 Unscaled step for mode   73=        0.0000002757
 Unscaled step for mode   74=        0.0000002117
 Unscaled step for mode   75=       -0.0000008569
 Unscaled step for mode   76=        0.0000002029
 Unscaled step for mode   77=        0.0000004965
 Unscaled step for mode   78=        0.0000001784
 Unscaled step for mode   79=        0.0000000682
 Unscaled step for mode   80=       -0.0000002323
 Unscaled step for mode   81=       -0.0000003701
 Unscaled step for mode   82=        0.0000002466
 Unscaled step for mode   83=        0.0000001688
 Unscaled step for mode   84=       -0.0000008134
 Unscaled step for mode   85=       -0.0000002731
 Unscaled step for mode   86=        0.0000003097
 Unscaled step for mode   87=       -0.0000007194
 Unscaled step for mode   88=        0.0000003066
 Unscaled step for mode   89=        0.0000001662
 Unscaled step for mode   90=       -0.0000008030
 Unscaled step for mode   91=       -0.0000009404
 Unscaled step for mode   92=        0.0000010863
 Unscaled step for mode   93=        0.0000003809
 Unscaled step for mode   94=       -0.0000010794
 Unscaled step for mode   95=       -0.0000001262
 Unscaled step for mode   96=       -0.0000002284
 Unscaled step for mode   97=       -0.0000008861
 Unscaled step for mode   98=       -0.0000014064
 Unscaled step for mode   99=       -0.0000030214
 Unscaled step for mode  100=       -0.0000021079
 Unscaled step for mode  101=        0.0000005635
 Unscaled step for mode  102=        0.0000038935
 Unscaled step for mode  103=        0.0000017614
 Unscaled step for mode  104=       -0.0000054844
 Unscaled step for mode  105=       -0.0000031533
 Unscaled step for mode  106=       -0.0000026942
 Unscaled step for mode  107=        0.0000020170
 Unscaled step for mode  108=        0.0000001187
 Unscaled step for mode  109=        0.0000053289
 Unscaled step for mode  110=       -0.0011436439
 Unscaled step for mode  111=       -0.0000064148
 Unscaled step for mode  112=       -0.0022828264
 Unscaled step for mode  113=       -0.0063594172
 Unscaled step for mode  114=       -0.2226589384
 Largest modulus ratio of non-zero e/values=           207.2112528    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.537114E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.703214E-15    0.100680E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.285283E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.535379E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.469812E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.726917E-15    0.974096E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.824806E-05    0.741216E+03  0.111277E-07 0.100000E-04    0.995324E+00
   8   -0.770203E-05    0.674466E+03  0.114194E-07 0.100000E-04    0.989345E+00
   9   -0.334856E-05    0.628619E+03  0.532685E-08 0.100000E-04    0.945422E+00
  10    0.312054E-05    0.602539E+03 -0.517898E-08 0.100000E-04    0.999062E+00
  11   -0.218122E-05    0.587134E+03  0.371502E-08 0.100000E-04    0.980903E+00
  12   -0.866642E-05    0.576518E+03  0.150323E-07 0.100000E-04    0.970673E+00
  13   -0.347331E-05    0.566883E+03  0.612704E-08 0.100000E-04    0.990253E+00
  14    0.444878E-05    0.486112E+03 -0.915175E-08 0.100000E-04    0.969878E+00
  15    0.219346E-05    0.462253E+03 -0.474515E-08 0.100000E-04    0.969733E+00
  16    0.728709E-05    0.460543E+03 -0.158228E-07 0.100000E-04    0.991723E+00
  17    0.353168E-05    0.441708E+03 -0.799551E-08 0.100000E-04    0.961986E+00
  18    0.397443E-05    0.428906E+03 -0.926643E-08 0.100000E-04    0.969429E+00
  19   -0.202113E-04    0.422101E+03  0.478826E-07 0.100000E-04    0.998826E+00
  20    0.354764E-05    0.408557E+03 -0.868336E-08 0.100000E-04    0.960499E+00
  21    0.407670E-05    0.396791E+03 -0.102742E-07 0.100000E-04    0.968464E+00
  22   -0.125900E-04    0.388371E+03  0.324174E-07 0.100000E-04    0.989458E+00
  23    0.270497E-05    0.369083E+03 -0.732889E-08 0.100000E-04    0.928990E+00
  24   -0.710544E-05    0.360792E+03  0.196940E-07 0.100000E-04    0.981111E+00
  25   -0.242578E-04    0.349916E+03  0.693247E-07 0.100000E-04    0.997812E+00
  26   -0.364578E-04    0.334987E+03  0.108834E-06 0.100000E-04    0.998047E+00
  27   -0.173536E-04    0.327866E+03  0.529288E-07 0.100000E-04    0.993206E+00
  28    0.110203E-04    0.321732E+03 -0.342529E-07 0.100000E-04    0.989456E+00
  29    0.317211E-04    0.319477E+03 -0.992907E-07 0.100000E-04    0.998156E+00
  30   -0.239594E-04    0.310452E+03  0.771758E-07 0.100000E-04    0.994235E+00
  31   -0.245729E-04    0.302053E+03  0.813527E-07 0.100000E-04    0.993637E+00
  32   -0.123686E-04    0.289822E+03  0.426765E-07 0.100000E-04    0.981152E+00
  33    0.154185E-04    0.278345E+03 -0.553937E-07 0.100000E-04    0.999911E+00
  34   -0.191698E-04    0.271777E+03  0.705353E-07 0.100000E-04    0.996998E+00
  35    0.259059E-04    0.267841E+03 -0.967211E-07 0.100000E-04    0.994999E+00
  36    0.257645E-04    0.264739E+03 -0.973202E-07 0.100000E-04    0.989692E+00
  37    0.208902E-04    0.261936E+03 -0.797531E-07 0.100000E-04    0.995306E+00
  38    0.569265E-05    0.253727E+03 -0.224361E-07 0.100000E-04    0.987337E+00
  39   -0.220193E-04    0.241709E+03  0.910986E-07 0.100000E-04    0.996984E+00
  40   -0.318147E-04    0.239810E+03  0.132666E-06 0.100000E-04    0.989066E+00
  41   -0.492675E-04    0.233855E+03  0.210675E-06 0.100000E-04    0.997235E+00
  42   -0.223226E-04    0.227768E+03  0.980061E-07 0.100000E-04    0.984762E+00
  43   -0.205545E-04    0.217727E+03  0.944050E-07 0.100000E-04    0.998355E+00
  44   -0.433554E-04    0.214622E+03  0.202009E-06 0.100000E-04    0.990036E+00
  45    0.688775E-05    0.213089E+03 -0.323233E-07 0.100000E-04    0.980062E+00
  46    0.361152E-04    0.207241E+03 -0.174267E-06 0.100000E-04    0.995496E+00
  47   -0.267962E-04    0.203415E+03  0.131732E-06 0.100000E-04    0.997916E+00
  48    0.633738E-05    0.196421E+03 -0.322642E-07 0.100000E-04    0.974734E+00
  49    0.320427E-04    0.194842E+03 -0.164454E-06 0.100000E-04    0.996719E+00
  50   -0.592685E-05    0.191327E+03  0.309776E-07 0.100000E-04    0.945293E+00
  51   -0.183948E-04    0.183151E+03  0.100435E-06 0.100000E-04    0.995937E+00
  52   -0.816746E-05    0.174110E+03  0.469099E-07 0.100000E-04    0.995755E+00
  53   -0.151530E-04    0.172322E+03  0.879347E-07 0.100000E-04    0.994429E+00
  54   -0.248914E-04    0.167841E+03  0.148303E-06 0.100000E-04    0.999974E+00
  55    0.241189E-04    0.163982E+03 -0.147083E-06 0.100000E-04    0.994421E+00
  56    0.820682E-05    0.157641E+03 -0.520602E-07 0.100000E-04    0.966026E+00
  57   -0.162312E-04    0.154542E+03  0.105027E-06 0.100000E-04    0.993959E+00
  58   -0.278454E-04    0.152019E+03  0.183170E-06 0.100000E-04    0.997304E+00
  59   -0.774780E-05    0.147511E+03  0.525234E-07 0.100000E-04    0.978954E+00
  60    0.250398E-04    0.143498E+03 -0.174496E-06 0.100000E-04    0.995390E+00
  61   -0.356558E-04    0.137581E+03  0.259163E-06 0.100000E-04    0.992283E+00
  62   -0.230772E-04    0.135930E+03  0.169773E-06 0.100000E-04    0.998950E+00
  63    0.147473E-04    0.130496E+03 -0.113010E-06 0.100000E-04    0.971101E+00
  64   -0.422669E-04    0.128572E+03  0.328740E-06 0.100000E-04    0.998622E+00
  65    0.229618E-04    0.126578E+03 -0.181405E-06 0.100000E-04    0.984542E+00
  66   -0.918389E-05    0.124951E+03  0.734998E-07 0.100000E-04    0.986626E+00
  67   -0.178153E-04    0.119920E+03  0.148560E-06 0.100000E-04    0.977071E+00
  68    0.822469E-05    0.118147E+03 -0.696139E-07 0.100000E-04    0.985624E+00
  69   -0.876587E-05    0.117111E+03  0.748510E-07 0.100000E-04    0.996063E+00
  70    0.337876E-04    0.110451E+03 -0.305905E-06 0.100000E-04    0.994051E+00
  71    0.727157E-05    0.107168E+03 -0.678520E-07 0.100000E-04    0.989624E+00
  72    0.832061E-04    0.104458E+03 -0.796548E-06 0.100000E-04    0.998186E+00
  73   -0.283979E-04    0.102990E+03  0.275734E-06 0.100000E-04    0.993258E+00
  74   -0.210945E-04    0.996645E+02  0.211655E-06 0.100000E-04    0.992045E+00
  75    0.821633E-04    0.958879E+02 -0.856868E-06 0.100000E-04    0.996811E+00
  76   -0.190849E-04    0.940753E+02  0.202868E-06 0.100000E-04    0.969980E+00
  77   -0.462386E-04    0.931313E+02  0.496488E-06 0.100000E-04    0.992582E+00
  78   -0.162242E-04    0.909398E+02  0.178406E-06 0.100000E-04    0.988661E+00
  79   -0.607253E-05    0.890141E+02  0.682198E-07 0.100000E-04    0.999926E+00
  80    0.198258E-04    0.853381E+02 -0.232321E-06 0.100000E-04    0.994889E+00
  81    0.299268E-04    0.808607E+02 -0.370104E-06 0.100000E-04    0.993684E+00
  82   -0.197522E-04    0.800855E+02  0.246639E-06 0.100000E-04    0.985447E+00
  83   -0.131902E-04    0.781424E+02  0.168797E-06 0.100000E-04    0.982171E+00
  84    0.594990E-04    0.731517E+02 -0.813365E-06 0.100000E-04    0.996697E+00
  85    0.198565E-04    0.726996E+02 -0.273130E-06 0.100000E-04    0.966383E+00
  86   -0.211121E-04    0.681689E+02  0.309703E-06 0.100000E-04    0.993296E+00
  87    0.469843E-04    0.653144E+02 -0.719355E-06 0.100000E-04    0.994251E+00
  88   -0.191000E-04    0.622956E+02  0.306603E-06 0.100000E-04    0.969902E+00
  89   -0.996961E-05    0.599725E+02  0.166236E-06 0.100000E-04    0.953551E+00
  90    0.476846E-04    0.593865E+02 -0.802954E-06 0.100000E-04    0.993012E+00
  91    0.551955E-04    0.586960E+02 -0.940362E-06 0.100000E-04    0.991022E+00
  92   -0.608605E-04    0.560234E+02  0.108634E-05 0.100000E-04    0.998073E+00
  93   -0.200192E-04    0.525516E+02  0.380944E-06 0.100000E-04    0.957794E+00
  94    0.564351E-04    0.522832E+02 -0.107941E-05 0.100000E-04    0.998865E+00
  95    0.631235E-05    0.500154E+02 -0.126208E-06 0.100000E-04    0.945829E+00
  96    0.106950E-04    0.468261E+02 -0.228397E-06 0.100000E-04    0.990511E+00
  97    0.380905E-04    0.429877E+02 -0.886078E-06 0.100000E-04    0.975752E+00
  98    0.572599E-04    0.407136E+02 -0.140641E-05 0.100000E-04    0.995365E+00
  99    0.114330E-03    0.378396E+02 -0.302144E-05 0.100000E-04    0.991767E+00
 100    0.767861E-04    0.364274E+02 -0.210792E-05 0.100000E-04    0.991097E+00
 101   -0.186774E-04    0.331457E+02  0.563493E-06 0.100000E-04    0.918267E+00
 102   -0.112082E-03    0.287868E+02  0.389352E-05 0.100000E-04    0.997850E+00
 103   -0.502014E-04    0.285014E+02  0.176136E-05 0.100000E-04    0.991541E+00
 104    0.145819E-03    0.265880E+02 -0.548438E-05 0.100000E-04    0.993487E+00
 105    0.732252E-04    0.232217E+02 -0.315331E-05 0.100000E-04    0.986399E+00
 106    0.568178E-04    0.210889E+02 -0.269421E-05 0.100000E-04    0.960589E+00
 107   -0.410499E-04    0.203514E+02  0.201705E-05 0.100000E-04    0.954360E+00
 108   -0.197978E-05    0.166808E+02  0.118686E-06 0.100000E-04    0.404306E+00
 109   -0.738228E-04    0.138533E+02  0.532889E-05 0.100000E-04    0.980331E+00
 110    0.139971E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.593791E+00
 111    0.644902E-04    0.100533E+02 -0.641481E-05 0.100000E-04    0.984717E+00
 112    0.194152E-01    0.850484E+01 -0.235264E-04 0.235264E-04    0.156967E+00
 113    0.392668E-01    0.617434E+01 -0.483946E-04 0.483946E-04    0.213589E+00
 114   -0.838021E+00    0.357710E+01 -0.400000E-03 0.400000E-03    0.260201E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2226589384    

 Beginning of optimization cycle  450.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3206101154
 potential> RMS force:                                               0.0787376751   |gradient|=.8406883181    
 Eigenvalues of the Hessian matrix:
   741.28537    674.47224    628.63703    602.51898    587.12570    576.55788 
   566.87507    486.13946    462.23033    460.53563    441.71142    428.90163 
   422.10104    408.55766    396.78583    388.36349    369.09618    360.78488 
   349.90753    334.98562    327.88527    321.73691    319.46371    310.43963 
   302.03404    289.83288    278.34379    271.78925    267.84835    264.74053 
   261.96133    253.72151    241.70358    239.82237    233.84947    227.75991 
   217.70839    214.62767    213.09501    207.24380    203.41098    196.40983 
   194.83898    191.32570    183.14228    174.10586    172.32260    167.84497 
   163.97210    157.62909    154.54653    152.02463    147.50082    143.49934 
   137.58608    135.92915    130.49481    128.57600    126.58251    124.94397 
   119.92118    118.14763    117.11064    110.44795    107.16407    104.45657 
   102.98803     99.66361     95.89177     94.08039     93.11353     90.94291 
    89.00726     85.34099     80.85998     80.08814     78.14081     73.15609 
    72.70237     68.16761     65.30689     62.28330     59.97276     59.38616 
    58.68841     56.02269     52.55102     52.28186     50.01574     46.81862 
    42.99038     40.71659     37.84202     36.42881     33.13303     28.78690 
    28.50020     26.58108     23.22348     21.09286     20.34354     16.67873 
    13.85394     12.23902     10.05438      8.50454      6.16576      3.57125 
overlap for current and previous eigenvector    109 is         0.9999998107
overlap for current and previous eigenvector    110 is         0.9999997396
overlap for current and previous eigenvector    111 is         0.9999997780
overlap for current and previous eigenvector    112 is         0.9999995498
overlap for current and previous eigenvector    113 is         0.9999992432
overlap for current and previous eigenvector    114 is         0.9999995729
J1,K1,R1,R2,RAT=   7   7   -0.5152472918E-02     2.004965594        0.9948475271    
FOB,PFOB,DIAG,PSTEP=   -0.8290559286E-05   -0.8248057422E-05     741.2853717        0.1112773637E-07
J1,K1,R1,R2,RAT=   8   8    0.8061514658E-02     1.991920375        0.9919203749    
FOB,PFOB,DIAG,PSTEP=   -0.7639938384E-05   -0.7702028965E-05     674.4722371        0.1141944514E-07
J1,K1,R1,R2,RAT=   9   9    0.1552992549E-01     1.984413557        0.9844135573    
FOB,PFOB,DIAG,PSTEP=   -0.3296558051E-05   -0.3348562446E-05     628.6370307        0.5326853034E-08
J1,K1,R1,R2,RAT=  10  10   -0.3417141291E-01     2.034238083        0.9658285871    
FOB,PFOB,DIAG,PSTEP=    0.3227165062E-05    0.3120535510E-05     602.5189815       -0.5178976242E-08
J1,K1,R1,R2,RAT=  11  11   -0.2070485002E-01     2.020732935        0.9792951500    
FOB,PFOB,DIAG,PSTEP=   -0.2226376902E-05   -0.2181215790E-05     587.1257045        0.3715022429E-08
J1,K1,R1,R2,RAT= 109 109    0.4805259225E-02     1.995104914        0.9951049138    
FOB,PFOB,DIAG,PSTEP=   -0.7346806778E-04   -0.7382282151E-04     13.85393737        0.5328892091E-05
J1,K1,R1,R2,RAT= 110 110   -0.4408477304         229.1698885        0.5591522696    
FOB,PFOB,DIAG,PSTEP=    0.1405105567E-01    0.1399710021E-01     12.23902322       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1639794289E-02     1.998152917        0.9981529171    
FOB,PFOB,DIAG,PSTEP=    0.6438442863E-04    0.6449019024E-04     10.05437617       -0.6414806239E-05
J1,K1,R1,R2,RAT= 112 112   -0.6576791519         194.7309827        0.3423208481    
FOB,PFOB,DIAG,PSTEP=    0.1954676919E-01    0.1941518015E-01     8.504540180       -0.2352636250E-04
J1,K1,R1,R2,RAT= 113 113   -0.8794008636         264.0707501        0.1205991364    
FOB,PFOB,DIAG,PSTEP=    0.3952917679E-01    0.3926677277E-01     6.165761627       -0.4839459546E-04
J1,K1,R1,R2,RAT= 114 114    0.9748981244        -1174.263844        0.2510187561E-01
FOB,PFOB,DIAG,PSTEP=   -0.8394132686       -0.8380206283         3.571245733       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00002 
     0.00002      0.00001     -0.00002     -0.00003     -0.00001      0.00003 
    -0.00004     -0.00002      0.00002     -0.00004      0.00002     -0.00001 
    -0.00002      0.00001     -0.00001     -0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008      0.00002     -0.00005     -0.00002 
    -0.00001      0.00002      0.00003     -0.00002     -0.00001      0.00006 
    -0.00002      0.00002      0.00005     -0.00002     -0.00001      0.00005 
    -0.00006     -0.00006     -0.00002      0.00006      0.00001      0.00001 
     0.00004      0.00006      0.00012      0.00008     -0.00002     -0.00011 
    -0.00005      0.00015      0.00007      0.00006     -0.00004      0.00000 
    -0.00007      0.01405      0.00006      0.01955      0.03953     -0.83941 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4008529910
 Log product of positive Hessian eigenvalues =          519.3123355199
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5712457328
 Unscaled step for mode    7=        0.0000000112
 Unscaled step for mode    8=        0.0000000113
 Unscaled step for mode    9=        0.0000000052
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000149
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000091
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000160
 Unscaled step for mode   17=       -0.0000000083
 Unscaled step for mode   18=       -0.0000000093
 Unscaled step for mode   19=        0.0000000481
 Unscaled step for mode   20=       -0.0000000088
 Unscaled step for mode   21=       -0.0000000104
 Unscaled step for mode   22=        0.0000000325
 Unscaled step for mode   23=       -0.0000000069
 Unscaled step for mode   24=        0.0000000197
 Unscaled step for mode   25=        0.0000000695
 Unscaled step for mode   26=        0.0000001091
 Unscaled step for mode   27=        0.0000000530
 Unscaled step for mode   28=       -0.0000000343
 Unscaled step for mode   29=       -0.0000001001
 Unscaled step for mode   30=        0.0000000765
 Unscaled step for mode   31=        0.0000000810
 Unscaled step for mode   32=        0.0000000427
 Unscaled step for mode   33=       -0.0000000559
 Unscaled step for mode   34=        0.0000000711
 Unscaled step for mode   35=       -0.0000000962
 Unscaled step for mode   36=       -0.0000000972
 Unscaled step for mode   37=       -0.0000000799
 Unscaled step for mode   38=       -0.0000000226
 Unscaled step for mode   39=        0.0000000914
 Unscaled step for mode   40=        0.0000001332
 Unscaled step for mode   41=        0.0000002106
 Unscaled step for mode   42=        0.0000000976
 Unscaled step for mode   43=        0.0000000936
 Unscaled step for mode   44=        0.0000002017
 Unscaled step for mode   45=       -0.0000000335
 Unscaled step for mode   46=       -0.0000001743
 Unscaled step for mode   47=        0.0000001309
 Unscaled step for mode   48=       -0.0000000330
 Unscaled step for mode   49=       -0.0000001637
 Unscaled step for mode   50=        0.0000000334
 Unscaled step for mode   51=        0.0000001002
 Unscaled step for mode   52=        0.0000000473
 Unscaled step for mode   53=        0.0000000883
 Unscaled step for mode   54=        0.0000001482
 Unscaled step for mode   55=       -0.0000001471
 Unscaled step for mode   56=       -0.0000000522
 Unscaled step for mode   57=        0.0000001061
 Unscaled step for mode   58=        0.0000001830
 Unscaled step for mode   59=        0.0000000531
 Unscaled step for mode   60=       -0.0000001746
 Unscaled step for mode   61=        0.0000002623
 Unscaled step for mode   62=        0.0000001692
 Unscaled step for mode   63=       -0.0000001153
 Unscaled step for mode   64=        0.0000003303
 Unscaled step for mode   65=       -0.0000001838
 Unscaled step for mode   66=        0.0000000737
 Unscaled step for mode   67=        0.0000001476
 Unscaled step for mode   68=       -0.0000000699
 Unscaled step for mode   69=        0.0000000763
 Unscaled step for mode   70=        0.0000003032
 Unscaled step for mode   71=       -0.0000000671
 Unscaled step for mode   72=       -0.0000008009
 Unscaled step for mode   73=        0.0000002761
 Unscaled step for mode   74=        0.0000002127
 Unscaled step for mode   75=       -0.0000008574
 Unscaled step for mode   76=       -0.0000002002
 Unscaled step for mode   77=        0.0000005015
 Unscaled step for mode   78=        0.0000001777
 Unscaled step for mode   79=        0.0000000686
 Unscaled step for mode   80=       -0.0000002304
 Unscaled step for mode   81=       -0.0000003703
 Unscaled step for mode   82=        0.0000002446
 Unscaled step for mode   83=        0.0000001651
 Unscaled step for mode   84=       -0.0000008223
 Unscaled step for mode   85=        0.0000002763
 Unscaled step for mode   86=       -0.0000003140
 Unscaled step for mode   87=       -0.0000007250
 Unscaled step for mode   88=        0.0000003096
 Unscaled step for mode   89=        0.0000001603
 Unscaled step for mode   90=       -0.0000007998
 Unscaled step for mode   91=        0.0000009556
 Unscaled step for mode   92=        0.0000010770
 Unscaled step for mode   93=        0.0000003870
 Unscaled step for mode   94=       -0.0000010828
 Unscaled step for mode   95=       -0.0000001354
 Unscaled step for mode   96=       -0.0000002400
 Unscaled step for mode   97=       -0.0000009098
 Unscaled step for mode   98=       -0.0000014189
 Unscaled step for mode   99=       -0.0000030427
 Unscaled step for mode  100=       -0.0000021071
 Unscaled step for mode  101=        0.0000006029
 Unscaled step for mode  102=        0.0000039202
 Unscaled step for mode  103=        0.0000017599
 Unscaled step for mode  104=       -0.0000055389
 Unscaled step for mode  105=       -0.0000031823
 Unscaled step for mode  106=       -0.0000027326
 Unscaled step for mode  107=        0.0000018004
 Unscaled step for mode  108=       -0.0000000460
 Unscaled step for mode  109=        0.0000053030
 Unscaled step for mode  110=       -0.0011480522
 Unscaled step for mode  111=       -0.0000064036
 Unscaled step for mode  112=       -0.0022983801
 Unscaled step for mode  113=       -0.0064108142
 Unscaled step for mode  114=       -0.2233249674
 Largest modulus ratio of non-zero e/values=           207.5705306    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.272568E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.143516E-14    0.100680E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.135688E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.248282E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.491967E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.832423E-15    0.974098E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.829056E-05    0.741285E+03  0.111840E-07 0.100000E-04    0.994848E+00
   8   -0.763994E-05    0.674472E+03  0.113273E-07 0.100000E-04    0.991920E+00
   9   -0.329656E-05    0.628637E+03  0.524398E-08 0.100000E-04    0.984414E+00
  10    0.322717E-05    0.602519E+03 -0.535612E-08 0.100000E-04    0.965829E+00
  11   -0.222638E-05    0.587126E+03  0.379199E-08 0.100000E-04    0.979295E+00
  12   -0.856231E-05    0.576558E+03  0.148507E-07 0.100000E-04    0.987850E+00
  13   -0.343291E-05    0.566875E+03  0.605586E-08 0.100000E-04    0.988368E+00
  14    0.442343E-05    0.486139E+03 -0.909909E-08 0.100000E-04    0.994191E+00
  15    0.220775E-05    0.462230E+03 -0.477630E-08 0.100000E-04    0.993485E+00
  16    0.735127E-05    0.460536E+03 -0.159624E-07 0.100000E-04    0.991193E+00
  17    0.364594E-05    0.441711E+03 -0.825412E-08 0.100000E-04    0.967646E+00
  18    0.400422E-05    0.428902E+03 -0.933598E-08 0.100000E-04    0.992505E+00
  19   -0.203066E-04    0.422101E+03  0.481084E-07 0.100000E-04    0.995285E+00
  20    0.358851E-05    0.408558E+03 -0.878337E-08 0.100000E-04    0.988480E+00
  21    0.412083E-05    0.396786E+03 -0.103855E-07 0.100000E-04    0.989176E+00
  22   -0.126217E-04    0.388363E+03  0.324997E-07 0.100000E-04    0.997483E+00
  23    0.255686E-05    0.369096E+03 -0.692736E-08 0.100000E-04    0.945178E+00
  24   -0.711109E-05    0.360785E+03  0.197100E-07 0.100000E-04    0.999206E+00
  25   -0.243160E-04    0.349908E+03  0.694927E-07 0.100000E-04    0.997601E+00
  26   -0.365500E-04    0.334986E+03  0.109109E-06 0.100000E-04    0.997472E+00
  27   -0.173783E-04    0.327885E+03  0.530010E-07 0.100000E-04    0.998578E+00
  28    0.110490E-04    0.321737E+03 -0.343417E-07 0.100000E-04    0.997395E+00
  29    0.319809E-04    0.319464E+03 -0.100108E-06 0.100000E-04    0.991811E+00
  30   -0.237489E-04    0.310440E+03  0.765008E-07 0.100000E-04    0.991213E+00
  31   -0.244734E-04    0.302034E+03  0.810287E-07 0.100000E-04    0.995954E+00
  32   -0.123808E-04    0.289833E+03  0.427170E-07 0.100000E-04    0.999012E+00
  33    0.155545E-04    0.278344E+03 -0.558822E-07 0.100000E-04    0.991185E+00
  34   -0.193257E-04    0.271789E+03  0.711055E-07 0.100000E-04    0.991870E+00
  35    0.257751E-04    0.267848E+03 -0.962302E-07 0.100000E-04    0.994896E+00
  36    0.257451E-04    0.264741E+03 -0.972465E-07 0.100000E-04    0.999237E+00
  37    0.209203E-04    0.261961E+03 -0.798604E-07 0.100000E-04    0.998559E+00
  38    0.572604E-05    0.253722E+03 -0.225682E-07 0.100000E-04    0.994133E+00
  39   -0.220849E-04    0.241704E+03  0.913720E-07 0.100000E-04    0.997020E+00
  40   -0.319419E-04    0.239822E+03  0.133190E-06 0.100000E-04    0.996002E+00
  41   -0.492447E-04    0.233849E+03  0.210583E-06 0.100000E-04    0.999539E+00
  42   -0.222294E-04    0.227760E+03  0.976002E-07 0.100000E-04    0.995823E+00
  43   -0.203858E-04    0.217708E+03  0.936380E-07 0.100000E-04    0.991789E+00
  44   -0.432965E-04    0.214628E+03  0.201728E-06 0.100000E-04    0.998585E+00
  45    0.712841E-05    0.213095E+03 -0.334518E-07 0.100000E-04    0.965061E+00
  46    0.361286E-04    0.207244E+03 -0.174329E-06 0.100000E-04    0.999627E+00
  47   -0.266317E-04    0.203411E+03  0.130926E-06 0.100000E-04    0.993864E+00
  48    0.647283E-05    0.196410E+03 -0.329557E-07 0.100000E-04    0.978626E+00
  49    0.319033E-04    0.194839E+03 -0.163742E-06 0.100000E-04    0.995650E+00
  50   -0.639326E-05    0.191326E+03  0.334156E-07 0.100000E-04    0.921305E+00
  51   -0.183565E-04    0.183142E+03  0.100231E-06 0.100000E-04    0.997921E+00
  52   -0.823723E-05    0.174106E+03  0.473116E-07 0.100000E-04    0.991457E+00
  53   -0.152208E-04    0.172323E+03  0.883273E-07 0.100000E-04    0.995530E+00
  54   -0.248796E-04    0.167845E+03  0.148229E-06 0.100000E-04    0.999480E+00
  55    0.241280E-04    0.163972E+03 -0.147147E-06 0.100000E-04    0.999622E+00
  56    0.823533E-05    0.157629E+03 -0.522450E-07 0.100000E-04    0.996527E+00
  57   -0.163919E-04    0.154547E+03  0.106065E-06 0.100000E-04    0.990095E+00
  58   -0.278260E-04    0.152025E+03  0.183036E-06 0.100000E-04    0.999229E+00
  59   -0.783914E-05    0.147501E+03  0.531464E-07 0.100000E-04    0.988210E+00
  60    0.250588E-04    0.143499E+03 -0.174626E-06 0.100000E-04    0.999242E+00
  61   -0.360905E-04    0.137586E+03  0.262312E-06 0.100000E-04    0.987811E+00
  62   -0.229935E-04    0.135929E+03  0.169158E-06 0.100000E-04    0.996374E+00
  63    0.150490E-04    0.130495E+03 -0.115323E-06 0.100000E-04    0.979542E+00
  64   -0.424723E-04    0.128576E+03  0.330329E-06 0.100000E-04    0.995141E+00
  65    0.232681E-04    0.126583E+03 -0.183818E-06 0.100000E-04    0.986661E+00
  66   -0.921452E-05    0.124944E+03  0.737492E-07 0.100000E-04    0.996664E+00
  67   -0.176976E-04    0.119921E+03  0.147577E-06 0.100000E-04    0.993373E+00
  68    0.825745E-05    0.118148E+03 -0.698909E-07 0.100000E-04    0.996018E+00
  69   -0.893793E-05    0.117111E+03  0.763204E-07 0.100000E-04    0.980371E+00
  70   -0.334904E-04    0.110448E+03  0.303223E-06 0.100000E-04    0.991203E+00
  71    0.719541E-05    0.107164E+03 -0.671439E-07 0.100000E-04    0.989525E+00
  72    0.836543E-04    0.104457E+03 -0.800852E-06 0.100000E-04    0.994614E+00
  73   -0.284345E-04    0.102988E+03  0.276095E-06 0.100000E-04    0.998712E+00
  74   -0.211959E-04    0.996636E+02  0.212674E-06 0.100000E-04    0.995191E+00
  75    0.822172E-04    0.958918E+02 -0.857396E-06 0.100000E-04    0.999344E+00
  76    0.188370E-04    0.940804E+02 -0.200222E-06 0.100000E-04    0.986904E+00
  77   -0.466987E-04    0.931135E+02  0.501525E-06 0.100000E-04    0.990046E+00
  78   -0.161610E-04    0.909429E+02  0.177704E-06 0.100000E-04    0.996031E+00
  79   -0.610289E-05    0.890073E+02  0.685662E-07 0.100000E-04    0.995000E+00
  80    0.196642E-04    0.853410E+02 -0.230419E-06 0.100000E-04    0.991780E+00
  81    0.299439E-04    0.808600E+02 -0.370317E-06 0.100000E-04    0.999432E+00
  82   -0.195926E-04    0.800881E+02  0.244638E-06 0.100000E-04    0.991853E+00
  83   -0.129005E-04    0.781408E+02  0.165092E-06 0.100000E-04    0.978034E+00
  84    0.601558E-04    0.731561E+02 -0.822294E-06 0.100000E-04    0.988962E+00
  85   -0.200896E-04    0.727024E+02  0.276327E-06 0.100000E-04    0.988258E+00
  86    0.214050E-04    0.681676E+02 -0.314006E-06 0.100000E-04    0.986125E+00
  87    0.473485E-04    0.653069E+02 -0.725015E-06 0.100000E-04    0.992247E+00
  88   -0.192855E-04    0.622833E+02  0.309641E-06 0.100000E-04    0.990288E+00
  89   -0.961609E-05    0.599728E+02  0.160341E-06 0.100000E-04    0.964532E+00
  90    0.474966E-04    0.593862E+02 -0.799792E-06 0.100000E-04    0.996057E+00
  91   -0.560798E-04    0.586884E+02  0.955551E-06 0.100000E-04    0.983978E+00
  92   -0.603363E-04    0.560227E+02  0.107700E-05 0.100000E-04    0.991387E+00
  93   -0.203361E-04    0.525510E+02  0.386978E-06 0.100000E-04    0.984171E+00
  94    0.566134E-04    0.522819E+02 -0.108285E-05 0.100000E-04    0.996842E+00
  95    0.677189E-05    0.500157E+02 -0.135395E-06 0.100000E-04    0.927201E+00
  96    0.112345E-04    0.468186E+02 -0.239957E-06 0.100000E-04    0.949548E+00
  97    0.391146E-04    0.429904E+02 -0.909846E-06 0.100000E-04    0.973113E+00
  98    0.577715E-04    0.407166E+02 -0.141887E-05 0.100000E-04    0.991065E+00
  99    0.115140E-03    0.378420E+02 -0.304266E-05 0.100000E-04    0.992915E+00
 100    0.767576E-04    0.364288E+02 -0.210706E-05 0.100000E-04    0.999549E+00
 101   -0.199762E-04    0.331330E+02  0.602908E-06 0.100000E-04    0.930435E+00
 102   -0.112851E-03    0.287869E+02  0.392022E-05 0.100000E-04    0.993138E+00
 103   -0.501567E-04    0.285002E+02  0.175987E-05 0.100000E-04    0.999110E+00
 104    0.147230E-03    0.265811E+02 -0.553890E-05 0.100000E-04    0.990319E+00
 105    0.739031E-04    0.232235E+02 -0.318226E-05 0.100000E-04    0.990742E+00
 106    0.576389E-04    0.210929E+02 -0.273263E-05 0.100000E-04    0.985551E+00
 107   -0.366261E-04    0.203435E+02  0.180038E-05 0.100000E-04    0.892194E+00
 108    0.767439E-06    0.166787E+02 -0.460130E-07 0.100000E-04    0.387563E+00
 109   -0.734681E-04    0.138539E+02  0.530305E-05 0.100000E-04    0.995105E+00
 110    0.140511E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.559152E+00
 111    0.643844E-04    0.100544E+02 -0.640362E-05 0.100000E-04    0.998153E+00
 112    0.195468E-01    0.850454E+01 -0.211949E-04 0.211949E-04    0.342321E+00
 113    0.395292E-01    0.616576E+01 -0.527501E-04 0.527501E-04    0.120599E+00
 114   -0.839413E+00    0.357125E+01 -0.400000E-03 0.400000E-03    0.251019E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2233249674    

 Beginning of optimization cycle  451.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3202766954
 potential> RMS force:                                               0.0788691308   |gradient|=.8420918816    
 Eigenvalues of the Hessian matrix:
   741.35490    674.47783    628.65495    602.49914    587.11725    576.59814 
   566.86720    486.16624    462.20735    460.52858    441.71509    428.89737 
   422.10110    408.55856    396.78108    388.35607    369.10905    360.77812 
   349.89922    334.98450    327.90437    321.74148    319.45027    310.42688 
   302.01475    289.84428    278.34285    271.80199    267.85624    264.74180 
   261.98680    253.71595    241.69855    239.83528    233.84396    227.75206 
   217.68968    214.63364    213.10101    207.24690    203.40716    196.39821 
   194.83563    191.32420    183.13381    174.10217    172.32357    167.84890 
   163.96195    157.61704    154.55070    152.03007    147.49017    143.50048 
   137.59125    135.92853    130.49349    128.57965    126.58716    124.93648 
   119.92223    118.14794    117.11019    110.44444    107.15993    104.45463 
   102.98584     99.66262     95.89562     94.08533     93.09574     90.94613 
    89.00031     85.34390     80.85924     80.09094     78.13917     73.16038 
    72.70493     68.16617     65.29931     62.27084     59.97298     59.38579 
    58.68062     56.02184     52.55032     52.28043     50.01609     46.81099 
    42.99316     40.71952     37.84435     36.42996     33.12029     28.78703 
    28.49901     26.57419     23.22530     21.09675     20.33564     16.67659 
    13.85455     12.23902     10.05543      8.50434      6.15717      3.56539 
overlap for current and previous eigenvector    109 is         0.9999998037
overlap for current and previous eigenvector    110 is         0.9999997364
overlap for current and previous eigenvector    111 is         0.9999997663
overlap for current and previous eigenvector    112 is         0.9999995558
overlap for current and previous eigenvector    113 is         0.9999992364
overlap for current and previous eigenvector    114 is         0.9999995525
J1,K1,R1,R2,RAT=   7   7   -0.3552103888E-02     2.003364530        0.9964478961    
FOB,PFOB,DIAG,PSTEP=   -0.8320010976E-05   -0.8290559286E-05     741.3549011        0.1118403196E-07
J1,K1,R1,R2,RAT=   8   8   -0.1254078356E-01     2.012524196        0.9874592164    
FOB,PFOB,DIAG,PSTEP=   -0.7735749992E-05   -0.7639938384E-05     674.4778312        0.1132728371E-07
J1,K1,R1,R2,RAT=   9   9   -0.2549030340E-01     2.025433309        0.9745096966    
FOB,PFOB,DIAG,PSTEP=   -0.3380590711E-05   -0.3296558051E-05     628.6549458        0.5243976874E-08
J1,K1,R1,R2,RAT=  10  10    0.2161395472E-01     1.978451918        0.9783860453    
FOB,PFOB,DIAG,PSTEP=    0.3157415560E-05    0.3227165062E-05     602.4991374       -0.5356121818E-08
J1,K1,R1,R2,RAT=  11  11   -0.3877252220E-02     2.003906066        0.9961227478    
FOB,PFOB,DIAG,PSTEP=   -0.2235009002E-05   -0.2226376902E-05     587.1172461        0.3791993579E-08
J1,K1,R1,R2,RAT= 109 109    0.1715104865E-02     1.998195909        0.9981959090    
FOB,PFOB,DIAG,PSTEP=   -0.7334205673E-04   -0.7346806778E-04     13.85455380        0.5303046044E-05
J1,K1,R1,R2,RAT= 110 110   -0.4112857700         230.0221203        0.5887142300    
FOB,PFOB,DIAG,PSTEP=    0.1410139301E-01    0.1405105567E-01     12.23901799       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.5953062694E-02     1.993837949        0.9938379493    
FOB,PFOB,DIAG,PSTEP=    0.6400110404E-04    0.6438442863E-04     10.05542690       -0.6403622418E-05
J1,K1,R1,R2,RAT= 112 112   -0.8654840307         217.7520334        0.1345159693    
FOB,PFOB,DIAG,PSTEP=    0.1970277164E-01    0.1954676919E-01     8.504338840       -0.2119492117E-04
J1,K1,R1,R2,RAT= 113 113   -0.8057393544         244.2186021        0.1942606456    
FOB,PFOB,DIAG,PSTEP=    0.3979087383E-01    0.3952917679E-01     6.157166245       -0.5275010905E-04
J1,K1,R1,R2,RAT= 114 114    0.9738518594        -1178.143029        0.2614814060E-01
FOB,PFOB,DIAG,PSTEP=   -0.8408021330       -0.8394132686         3.565389262       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00001     -0.00003 
     0.00004      0.00002      0.00001     -0.00004      0.00002     -0.00001 
     0.00002     -0.00001     -0.00001     -0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008      0.00002     -0.00005      0.00002 
    -0.00001      0.00002      0.00003     -0.00002     -0.00001      0.00006 
    -0.00002      0.00002      0.00005     -0.00002     -0.00001      0.00005 
    -0.00006     -0.00006     -0.00002      0.00006      0.00001      0.00001 
    -0.00004     -0.00006     -0.00011      0.00008     -0.00002      0.00011 
     0.00005     -0.00015     -0.00007     -0.00006      0.00004     -0.00000 
    -0.00007      0.01410      0.00006      0.01970      0.03979     -0.84080 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4005898617
 Log product of positive Hessian eigenvalues =          519.3078264243
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5653892618
 Unscaled step for mode    7=        0.0000000112
 Unscaled step for mode    8=        0.0000000115
 Unscaled step for mode    9=        0.0000000054
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000151
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000093
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000158
 Unscaled step for mode   17=       -0.0000000080
 Unscaled step for mode   18=       -0.0000000093
 Unscaled step for mode   19=        0.0000000481
 Unscaled step for mode   20=       -0.0000000086
 Unscaled step for mode   21=       -0.0000000102
 Unscaled step for mode   22=        0.0000000326
 Unscaled step for mode   23=       -0.0000000073
 Unscaled step for mode   24=        0.0000000199
 Unscaled step for mode   25=        0.0000000696
 Unscaled step for mode   26=        0.0000001089
 Unscaled step for mode   27=        0.0000000530
 Unscaled step for mode   28=       -0.0000000342
 Unscaled step for mode   29=       -0.0000001002
 Unscaled step for mode   30=        0.0000000768
 Unscaled step for mode   31=        0.0000000817
 Unscaled step for mode   32=        0.0000000429
 Unscaled step for mode   33=       -0.0000000555
 Unscaled step for mode   34=        0.0000000711
 Unscaled step for mode   35=       -0.0000000967
 Unscaled step for mode   36=       -0.0000000977
 Unscaled step for mode   37=       -0.0000000796
 Unscaled step for mode   38=       -0.0000000228
 Unscaled step for mode   39=        0.0000000912
 Unscaled step for mode   40=        0.0000001339
 Unscaled step for mode   41=        0.0000002110
 Unscaled step for mode   42=        0.0000000984
 Unscaled step for mode   43=        0.0000000940
 Unscaled step for mode   44=        0.0000002031
 Unscaled step for mode   45=       -0.0000000337
 Unscaled step for mode   46=       -0.0000001749
 Unscaled step for mode   47=        0.0000001310
 Unscaled step for mode   48=       -0.0000000324
 Unscaled step for mode   49=       -0.0000001647
 Unscaled step for mode   50=        0.0000000311
 Unscaled step for mode   51=        0.0000001005
 Unscaled step for mode   52=        0.0000000476
 Unscaled step for mode   53=        0.0000000881
 Unscaled step for mode   54=        0.0000001490
 Unscaled step for mode   55=       -0.0000001474
 Unscaled step for mode   56=       -0.0000000520
 Unscaled step for mode   57=        0.0000001060
 Unscaled step for mode   58=        0.0000001833
 Unscaled step for mode   59=        0.0000000530
 Unscaled step for mode   60=        0.0000001747
 Unscaled step for mode   61=       -0.0000002602
 Unscaled step for mode   62=       -0.0000001688
 Unscaled step for mode   63=       -0.0000001118
 Unscaled step for mode   64=        0.0000003307
 Unscaled step for mode   65=       -0.0000001816
 Unscaled step for mode   66=        0.0000000719
 Unscaled step for mode   67=       -0.0000001497
 Unscaled step for mode   68=        0.0000000695
 Unscaled step for mode   69=        0.0000000756
 Unscaled step for mode   70=        0.0000003061
 Unscaled step for mode   71=       -0.0000000673
 Unscaled step for mode   72=       -0.0000008004
 Unscaled step for mode   73=        0.0000002750
 Unscaled step for mode   74=        0.0000002101
 Unscaled step for mode   75=       -0.0000008557
 Unscaled step for mode   76=       -0.0000001938
 Unscaled step for mode   77=        0.0000005035
 Unscaled step for mode   78=       -0.0000001815
 Unscaled step for mode   79=        0.0000000673
 Unscaled step for mode   80=       -0.0000002311
 Unscaled step for mode   81=       -0.0000003716
 Unscaled step for mode   82=        0.0000002489
 Unscaled step for mode   83=        0.0000001681
 Unscaled step for mode   84=       -0.0000008172
 Unscaled step for mode   85=        0.0000002663
 Unscaled step for mode   86=       -0.0000003137
 Unscaled step for mode   87=       -0.0000007236
 Unscaled step for mode   88=        0.0000003091
 Unscaled step for mode   89=        0.0000001692
 Unscaled step for mode   90=       -0.0000007969
 Unscaled step for mode   91=        0.0000009535
 Unscaled step for mode   92=        0.0000010840
 Unscaled step for mode   93=        0.0000003975
 Unscaled step for mode   94=       -0.0000010769
 Unscaled step for mode   95=       -0.0000001206
 Unscaled step for mode   96=       -0.0000002412
 Unscaled step for mode   97=        0.0000008889
 Unscaled step for mode   98=        0.0000014124
 Unscaled step for mode   99=        0.0000030185
 Unscaled step for mode  100=       -0.0000021068
 Unscaled step for mode  101=        0.0000005668
 Unscaled step for mode  102=       -0.0000039084
 Unscaled step for mode  103=       -0.0000017691
 Unscaled step for mode  104=        0.0000055198
 Unscaled step for mode  105=        0.0000031854
 Unscaled step for mode  106=        0.0000027084
 Unscaled step for mode  107=       -0.0000019718
 Unscaled step for mode  108=        0.0000000888
 Unscaled step for mode  109=        0.0000052937
 Unscaled step for mode  110=       -0.0011521655
 Unscaled step for mode  111=       -0.0000063648
 Unscaled step for mode  112=       -0.0023167781
 Unscaled step for mode  113=       -0.0064622605
 Unscaled step for mode  114=       -0.2239915908
 Largest modulus ratio of non-zero e/values=           207.9309850    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.220744E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.121539E-14    0.100680E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.368629E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.553971E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.171345E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.121241E-15    0.974100E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.832001E-05    0.741355E+03  0.112227E-07 0.100000E-04    0.996448E+00
   8   -0.773575E-05    0.674478E+03  0.114692E-07 0.100000E-04    0.987459E+00
   9   -0.338059E-05    0.628655E+03  0.537750E-08 0.100000E-04    0.974510E+00
  10    0.315742E-05    0.602499E+03 -0.524053E-08 0.100000E-04    0.978386E+00
  11   -0.223501E-05    0.587117E+03  0.380675E-08 0.100000E-04    0.996123E+00
  12   -0.872372E-05    0.576598E+03  0.151296E-07 0.100000E-04    0.981150E+00
  13   -0.348041E-05    0.566867E+03  0.613973E-08 0.100000E-04    0.986163E+00
  14    0.453318E-05    0.486166E+03 -0.932433E-08 0.100000E-04    0.975191E+00
  15    0.224364E-05    0.462207E+03 -0.485419E-08 0.100000E-04    0.983742E+00
  16    0.729739E-05    0.460529E+03 -0.158457E-07 0.100000E-04    0.992671E+00
  17    0.353750E-05    0.441715E+03 -0.800856E-08 0.100000E-04    0.970242E+00
  18    0.398962E-05    0.428897E+03 -0.930203E-08 0.100000E-04    0.996354E+00
  19   -0.202845E-04    0.422101E+03  0.480560E-07 0.100000E-04    0.998912E+00
  20    0.351678E-05    0.408559E+03 -0.860777E-08 0.100000E-04    0.980005E+00
  21    0.403603E-05    0.396781E+03 -0.101719E-07 0.100000E-04    0.979423E+00
  22   -0.126436E-04    0.388356E+03  0.325567E-07 0.100000E-04    0.998266E+00
  23    0.268409E-05    0.369109E+03 -0.727180E-08 0.100000E-04    0.950243E+00
  24   -0.716887E-05    0.360778E+03  0.198706E-07 0.100000E-04    0.991874E+00
  25   -0.243379E-04    0.349899E+03  0.695568E-07 0.100000E-04    0.999101E+00
  26   -0.364932E-04    0.334985E+03  0.108940E-06 0.100000E-04    0.998448E+00
  27   -0.173783E-04    0.327904E+03  0.529980E-07 0.100000E-04    0.999886E+00
  28    0.109892E-04    0.321741E+03 -0.341553E-07 0.100000E-04    0.994558E+00
  29    0.320089E-04    0.319450E+03 -0.100200E-06 0.100000E-04    0.999125E+00
  30   -0.238482E-04    0.310427E+03  0.768238E-07 0.100000E-04    0.995819E+00
  31   -0.246810E-04    0.302015E+03  0.817211E-07 0.100000E-04    0.991518E+00
  32   -0.124421E-04    0.289844E+03  0.429267E-07 0.100000E-04    0.995052E+00
  33    0.154520E-04    0.278343E+03 -0.555143E-07 0.100000E-04    0.993413E+00
  34   -0.193282E-04    0.271802E+03  0.711113E-07 0.100000E-04    0.999871E+00
  35    0.258935E-04    0.267856E+03 -0.966693E-07 0.100000E-04    0.995408E+00
  36    0.258749E-04    0.264742E+03 -0.977365E-07 0.100000E-04    0.994955E+00
  37    0.208671E-04    0.261987E+03 -0.796494E-07 0.100000E-04    0.997260E+00
  38    0.578570E-05    0.253716E+03 -0.228039E-07 0.100000E-04    0.989581E+00
  39   -0.220472E-04    0.241699E+03  0.912177E-07 0.100000E-04    0.998290E+00
  40   -0.321168E-04    0.239835E+03  0.133912E-06 0.100000E-04    0.994524E+00
  41   -0.493355E-04    0.233844E+03  0.210976E-06 0.100000E-04    0.998157E+00
  42   -0.224122E-04    0.227752E+03  0.984061E-07 0.100000E-04    0.991777E+00
  43   -0.204646E-04    0.217690E+03  0.940081E-07 0.100000E-04    0.996133E+00
  44   -0.436015E-04    0.214634E+03  0.203144E-06 0.100000E-04    0.992956E+00
  45    0.717418E-05    0.213101E+03 -0.336656E-07 0.100000E-04    0.993579E+00
  46    0.362495E-04    0.207247E+03 -0.174910E-06 0.100000E-04    0.996655E+00
  47   -0.266528E-04    0.203407E+03  0.131032E-06 0.100000E-04    0.999210E+00
  48    0.636080E-05    0.196398E+03 -0.323873E-07 0.100000E-04    0.982691E+00
  49    0.320955E-04    0.194836E+03 -0.164731E-06 0.100000E-04    0.993976E+00
  50   -0.595418E-05    0.191324E+03  0.311209E-07 0.100000E-04    0.931321E+00
  51   -0.184017E-04    0.183134E+03  0.100482E-06 0.100000E-04    0.997541E+00
  52   -0.829162E-05    0.174102E+03  0.476250E-07 0.100000E-04    0.993398E+00
  53   -0.151840E-04    0.172324E+03  0.881135E-07 0.100000E-04    0.997574E+00
  54   -0.250119E-04    0.167849E+03  0.149014E-06 0.100000E-04    0.994681E+00
  55    0.241700E-04    0.163962E+03 -0.147412E-06 0.100000E-04    0.998260E+00
  56    0.820345E-05    0.157617E+03 -0.520467E-07 0.100000E-04    0.996128E+00
  57   -0.163862E-04    0.154551E+03  0.106025E-06 0.100000E-04    0.999597E+00
  58   -0.278598E-04    0.152030E+03  0.183252E-06 0.100000E-04    0.998783E+00
  59   -0.782172E-05    0.147490E+03  0.530322E-07 0.100000E-04    0.997779E+00
  60   -0.250733E-04    0.143500E+03  0.174726E-06 0.100000E-04    0.999421E+00
  61    0.357949E-04    0.137591E+03 -0.260154E-06 0.100000E-04    0.991735E+00
  62    0.229427E-04    0.135929E+03 -0.168785E-06 0.100000E-04    0.997791E+00
  63    0.145865E-04    0.130493E+03 -0.111780E-06 0.100000E-04    0.969268E+00
  64   -0.425207E-04    0.128580E+03  0.330695E-06 0.100000E-04    0.998861E+00
  65    0.229891E-04    0.126587E+03 -0.181607E-06 0.100000E-04    0.987938E+00
  66   -0.898803E-05    0.124936E+03  0.719408E-07 0.100000E-04    0.975418E+00
  67    0.179511E-04    0.119922E+03 -0.149690E-06 0.100000E-04    0.985671E+00
  68   -0.820744E-05    0.118148E+03  0.694675E-07 0.100000E-04    0.993939E+00
  69   -0.884915E-05    0.117110E+03  0.755626E-07 0.100000E-04    0.990067E+00
  70   -0.338039E-04    0.110444E+03  0.306072E-06 0.100000E-04    0.990638E+00
  71    0.721104E-05    0.107160E+03 -0.672924E-07 0.100000E-04    0.997827E+00
  72    0.836051E-04    0.104455E+03 -0.800397E-06 0.100000E-04    0.999412E+00
  73   -0.283218E-04    0.102986E+03  0.275007E-06 0.100000E-04    0.996037E+00
  74   -0.209370E-04    0.996626E+02  0.210079E-06 0.100000E-04    0.987787E+00
  75    0.820536E-04    0.958956E+02 -0.855655E-06 0.100000E-04    0.997930E+00
  76    0.182380E-04    0.940853E+02 -0.193845E-06 0.100000E-04    0.968097E+00
  77   -0.468706E-04    0.930957E+02  0.503467E-06 0.100000E-04    0.996319E+00
  78    0.165037E-04    0.909461E+02 -0.181467E-06 0.100000E-04    0.978794E+00
  79   -0.599317E-05    0.890003E+02  0.673388E-07 0.100000E-04    0.982021E+00
  80    0.197272E-04    0.853439E+02 -0.231150E-06 0.100000E-04    0.996793E+00
  81    0.300501E-04    0.808592E+02 -0.371635E-06 0.100000E-04    0.996451E+00
  82   -0.199373E-04    0.800909E+02  0.248933E-06 0.100000E-04    0.982411E+00
  83   -0.131350E-04    0.781392E+02  0.168097E-06 0.100000E-04    0.981820E+00
  84    0.597838E-04    0.731604E+02 -0.817161E-06 0.100000E-04    0.993699E+00
  85   -0.193606E-04    0.727049E+02  0.266290E-06 0.100000E-04    0.963643E+00
  86    0.213867E-04    0.681662E+02 -0.313743E-06 0.100000E-04    0.999142E+00
  87    0.472508E-04    0.652993E+02 -0.723604E-06 0.100000E-04    0.997937E+00
  88   -0.192469E-04    0.622708E+02  0.309083E-06 0.100000E-04    0.997998E+00
  89   -0.101477E-04    0.599730E+02  0.169204E-06 0.100000E-04    0.944719E+00
  90    0.473240E-04    0.593858E+02 -0.796890E-06 0.100000E-04    0.996366E+00
  91   -0.559525E-04    0.586806E+02  0.953509E-06 0.100000E-04    0.997730E+00
  92   -0.607249E-04    0.560218E+02  0.108395E-05 0.100000E-04    0.993559E+00
  93   -0.208874E-04    0.525503E+02  0.397475E-06 0.100000E-04    0.972888E+00
  94    0.563017E-04    0.522804E+02 -0.107692E-05 0.100000E-04    0.994495E+00
  95    0.603047E-05    0.500161E+02 -0.120571E-06 0.100000E-04    0.890503E+00
  96    0.112895E-04    0.468110E+02 -0.241171E-06 0.100000E-04    0.995103E+00
  97   -0.382168E-04    0.429932E+02  0.888905E-06 0.100000E-04    0.976919E+00
  98   -0.575132E-04    0.407195E+02  0.141242E-05 0.100000E-04    0.995385E+00
  99   -0.114235E-03    0.378444E+02  0.301855E-05 0.100000E-04    0.992014E+00
 100    0.767507E-04    0.364300E+02 -0.210680E-05 0.100000E-04    0.999848E+00
 101   -0.187729E-04    0.331203E+02  0.566808E-06 0.100000E-04    0.939739E+00
 102    0.112512E-03    0.287870E+02 -0.390843E-05 0.100000E-04    0.996989E+00
 103    0.504165E-04    0.284990E+02 -0.176906E-05 0.100000E-04    0.994820E+00
 104   -0.146685E-03    0.265742E+02  0.551982E-05 0.100000E-04    0.996297E+00
 105   -0.739810E-04    0.232253E+02  0.318536E-05 0.100000E-04    0.998946E+00
 106   -0.571385E-04    0.210967E+02  0.270840E-05 0.100000E-04    0.990951E+00
 107    0.400986E-04    0.203356E+02 -0.197184E-05 0.100000E-04    0.905156E+00
 108   -0.148028E-05    0.166766E+02  0.887637E-07 0.109000E-04    0.710285E-01
 109   -0.733421E-04    0.138546E+02  0.529371E-05 0.100000E-04    0.998196E+00
 110    0.141014E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.588714E+00
 111    0.640011E-04    0.100554E+02 -0.636483E-05 0.100000E-04    0.993838E+00
 112    0.197028E-01    0.850434E+01 -0.231025E-04 0.231025E-04    0.134516E+00
 113    0.397909E-01    0.615717E+01 -0.574976E-04 0.574976E-04    0.194261E+00
 114   -0.840802E+00    0.356539E+01 -0.400000E-03 0.400000E-03    0.261481E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2239915908    

 Beginning of optimization cycle  452.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3199429625
 potential> RMS force:                                               0.0790001935   |gradient|=.8434912477    
 Eigenvalues of the Hessian matrix:
   741.42496    674.48315    628.67350    602.47882    587.10868    576.63844 
   566.85850    486.19286    462.18417    460.52141    441.71862    428.89341 
   422.10100    408.55903    396.77624    388.34829    369.12204    360.77143 
   349.89074    334.98361    327.92365    321.74599    319.43695    310.41400 
   301.99538    289.85561    278.34225    271.81476    267.86412    264.74309 
   262.01248    253.71022    241.69351    239.84829    233.83870    227.74425 
   217.67112    214.63966    213.10695    207.25010    203.40322    196.38645 
   194.83237    191.32282    183.12552    174.09866    172.32454    167.85287 
   163.95175    157.60499    154.55491    152.03543    147.47939    143.50153 
   137.59651    135.92791    130.49211    128.58333    126.59184    124.92878 
   119.92330    118.14827    117.10966    110.44099    107.15577    104.45275 
   102.98366     99.66163     95.89945     94.09016     93.07791     90.94938 
    88.99327     85.34689     80.85852     80.09388     78.13750     73.16463 
    72.70735     68.16468     65.29168     62.25826     59.97321     59.38548 
    58.67281     56.02096     52.54963     52.27892     50.01657     46.80326 
    42.99607     40.72247     37.84665     36.43106     33.10752     28.78722 
    28.49783     26.56739     23.22710     21.10067     20.32774     16.67443 
    13.85518     12.23901     10.05645      8.50448      6.14867      3.55952 
overlap for current and previous eigenvector    109 is         0.9999998012
overlap for current and previous eigenvector    110 is         0.9999997416
overlap for current and previous eigenvector    111 is         0.9999997601
overlap for current and previous eigenvector    112 is         0.9999996132
overlap for current and previous eigenvector    113 is         0.9999992499
overlap for current and previous eigenvector    114 is         0.9999995090
J1,K1,R1,R2,RAT=   7   7   -0.4662758345E-02     2.004473780        0.9953372417    
FOB,PFOB,DIAG,PSTEP=   -0.8358808842E-05   -0.8320010976E-05     741.4249579        0.1122270988E-07
J1,K1,R1,R2,RAT=   8   8   -0.1112339880E-01     2.011107628        0.9888766012    
FOB,PFOB,DIAG,PSTEP=   -0.7821798503E-05   -0.7735749992E-05     674.4831497        0.1146924277E-07
J1,K1,R1,R2,RAT=   9   9   -0.5514255269E-01     2.055083541        0.9448574473    
FOB,PFOB,DIAG,PSTEP=   -0.3567010613E-05   -0.3380590711E-05     628.6734954        0.5377497996E-08
J1,K1,R1,R2,RAT=  10  10   -0.8896244411E-03     2.000957082        0.9991103756    
FOB,PFOB,DIAG,PSTEP=    0.3160224380E-05    0.3157415560E-05     602.4788166       -0.5240531255E-08
J1,K1,R1,R2,RAT=  11  11    0.2030940428E-01     1.979719764        0.9796905957    
FOB,PFOB,DIAG,PSTEP=   -0.2189617963E-05   -0.2235009002E-05     587.1086836        0.3806750725E-08
J1,K1,R1,R2,RAT= 109 109   -0.2065081580E-01     2.020560016        0.9793491842    
FOB,PFOB,DIAG,PSTEP=   -0.7485669880E-04   -0.7334205673E-04     13.85518283        0.5293714815E-05
J1,K1,R1,R2,RAT= 110 110   -0.3876059152         230.8211093        0.6123940848    
FOB,PFOB,DIAG,PSTEP=    0.1414883215E-01    0.1410139301E-01     12.23901282       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1637908065E-01     2.016175593        0.9836209194    
FOB,PFOB,DIAG,PSTEP=    0.6504948995E-04    0.6400110404E-04     10.05645008       -0.6364832112E-05
J1,K1,R1,R2,RAT= 112 112   -0.7861743311         201.3494183        0.2138256689    
FOB,PFOB,DIAG,PSTEP=    0.1985723477E-01    0.1970277164E-01     8.504478161       -0.2310246408E-04
J1,K1,R1,R2,RAT= 113 113   -0.7868469186         225.8903795        0.2131530814    
FOB,PFOB,DIAG,PSTEP=    0.4006905095E-01    0.3979087383E-01     6.148671658       -0.5749761886E-04
J1,K1,R1,R2,RAT= 114 114    0.9719680792        -1182.032291        0.2803192075E-01
FOB,PFOB,DIAG,PSTEP=   -0.8421860299       -0.8408021330         3.559522391       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00001     -0.00002 
     0.00004      0.00002      0.00001     -0.00004      0.00002     -0.00001 
     0.00002     -0.00001     -0.00001     -0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008     -0.00002     -0.00005     -0.00002 
    -0.00001     -0.00002     -0.00003     -0.00002     -0.00001      0.00006 
    -0.00002      0.00002      0.00005     -0.00002      0.00001     -0.00005 
    -0.00006     -0.00006     -0.00002      0.00006      0.00001      0.00001 
    -0.00004     -0.00006     -0.00011      0.00008     -0.00002      0.00011 
     0.00005     -0.00015     -0.00007     -0.00005      0.00004     -0.00000 
    -0.00007      0.01415      0.00007      0.01986      0.04007     -0.84219 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4003225753
 Log product of positive Hessian eigenvalues =          519.3033620462
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5595223912
 Unscaled step for mode    7=        0.0000000113
 Unscaled step for mode    8=        0.0000000116
 Unscaled step for mode    9=        0.0000000057
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000156
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000096
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000157
 Unscaled step for mode   17=       -0.0000000077
 Unscaled step for mode   18=       -0.0000000090
 Unscaled step for mode   19=        0.0000000480
 Unscaled step for mode   20=       -0.0000000082
 Unscaled step for mode   21=       -0.0000000098
 Unscaled step for mode   22=        0.0000000329
 Unscaled step for mode   23=       -0.0000000078
 Unscaled step for mode   24=        0.0000000203
 Unscaled step for mode   25=        0.0000000694
 Unscaled step for mode   26=        0.0000001087
 Unscaled step for mode   27=        0.0000000526
 Unscaled step for mode   28=       -0.0000000338
 Unscaled step for mode   29=       -0.0000001003
 Unscaled step for mode   30=        0.0000000773
 Unscaled step for mode   31=        0.0000000823
 Unscaled step for mode   32=        0.0000000438
 Unscaled step for mode   33=       -0.0000000555
 Unscaled step for mode   34=        0.0000000713
 Unscaled step for mode   35=       -0.0000000972
 Unscaled step for mode   36=       -0.0000000988
 Unscaled step for mode   37=       -0.0000000792
 Unscaled step for mode   38=       -0.0000000231
 Unscaled step for mode   39=        0.0000000909
 Unscaled step for mode   40=        0.0000001354
 Unscaled step for mode   41=        0.0000002116
 Unscaled step for mode   42=        0.0000001000
 Unscaled step for mode   43=        0.0000000941
 Unscaled step for mode   44=        0.0000002052
 Unscaled step for mode   45=       -0.0000000343
 Unscaled step for mode   46=       -0.0000001757
 Unscaled step for mode   47=        0.0000001313
 Unscaled step for mode   48=       -0.0000000315
 Unscaled step for mode   49=       -0.0000001653
 Unscaled step for mode   50=        0.0000000292
 Unscaled step for mode   51=        0.0000001000
 Unscaled step for mode   52=        0.0000000474
 Unscaled step for mode   53=        0.0000000876
 Unscaled step for mode   54=        0.0000001490
 Unscaled step for mode   55=       -0.0000001483
 Unscaled step for mode   56=       -0.0000000539
 Unscaled step for mode   57=        0.0000001053
 Unscaled step for mode   58=        0.0000001838
 Unscaled step for mode   59=        0.0000000542
 Unscaled step for mode   60=        0.0000001738
 Unscaled step for mode   61=       -0.0000002579
 Unscaled step for mode   62=       -0.0000001690
 Unscaled step for mode   63=       -0.0000001082
 Unscaled step for mode   64=        0.0000003311
 Unscaled step for mode   65=       -0.0000001785
 Unscaled step for mode   66=        0.0000000709
 Unscaled step for mode   67=       -0.0000001532
 Unscaled step for mode   68=        0.0000000684
 Unscaled step for mode   69=        0.0000000752
 Unscaled step for mode   70=        0.0000003080
 Unscaled step for mode   71=       -0.0000000680
 Unscaled step for mode   72=       -0.0000008018
 Unscaled step for mode   73=        0.0000002730
 Unscaled step for mode   74=        0.0000002083
 Unscaled step for mode   75=       -0.0000008526
 Unscaled step for mode   76=        0.0000001875
 Unscaled step for mode   77=        0.0000005072
 Unscaled step for mode   78=        0.0000001792
 Unscaled step for mode   79=        0.0000000674
 Unscaled step for mode   80=        0.0000002299
 Unscaled step for mode   81=        0.0000003741
 Unscaled step for mode   82=        0.0000002526
 Unscaled step for mode   83=        0.0000001648
 Unscaled step for mode   84=       -0.0000008140
 Unscaled step for mode   85=        0.0000002564
 Unscaled step for mode   86=       -0.0000003113
 Unscaled step for mode   87=       -0.0000007192
 Unscaled step for mode   88=        0.0000003186
 Unscaled step for mode   89=       -0.0000001773
 Unscaled step for mode   90=        0.0000007917
 Unscaled step for mode   91=        0.0000009436
 Unscaled step for mode   92=        0.0000010864
 Unscaled step for mode   93=        0.0000004134
 Unscaled step for mode   94=       -0.0000010756
 Unscaled step for mode   95=       -0.0000001128
 Unscaled step for mode   96=       -0.0000002385
 Unscaled step for mode   97=        0.0000008653
 Unscaled step for mode   98=        0.0000014053
 Unscaled step for mode   99=        0.0000029921
 Unscaled step for mode  100=       -0.0000020868
 Unscaled step for mode  101=        0.0000005122
 Unscaled step for mode  102=       -0.0000038990
 Unscaled step for mode  103=       -0.0000017845
 Unscaled step for mode  104=        0.0000055572
 Unscaled step for mode  105=        0.0000031379
 Unscaled step for mode  106=        0.0000025920
 Unscaled step for mode  107=       -0.0000020747
 Unscaled step for mode  108=        0.0000002994
 Unscaled step for mode  109=        0.0000054028
 Unscaled step for mode  110=       -0.0011560420
 Unscaled step for mode  111=       -0.0000064684
 Unscaled step for mode  112=       -0.0023349024
 Unscaled step for mode  113=       -0.0065164237
 Unscaled step for mode  114=       -0.2246591922
 Largest modulus ratio of non-zero e/values=           208.2933822    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.223562E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.155735E-14    0.100680E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.156394E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.110480E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.751081E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.142478E-15    0.974101E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.835881E-05    0.741425E+03  0.112740E-07 0.100000E-04    0.995337E+00
   8   -0.782180E-05    0.674483E+03  0.115967E-07 0.100000E-04    0.988877E+00
   9   -0.356701E-05    0.628673E+03  0.567387E-08 0.100000E-04    0.944857E+00
  10    0.316022E-05    0.602479E+03 -0.524537E-08 0.100000E-04    0.999110E+00
  11   -0.218962E-05    0.587109E+03  0.372949E-08 0.100000E-04    0.979691E+00
  12   -0.898691E-05    0.576638E+03  0.155850E-07 0.100000E-04    0.969832E+00
  13   -0.344392E-05    0.566859E+03  0.607545E-08 0.100000E-04    0.989515E+00
  14    0.466913E-05    0.486193E+03 -0.960345E-08 0.100000E-04    0.970011E+00
  15    0.216782E-05    0.462184E+03 -0.469039E-08 0.100000E-04    0.966205E+00
  16    0.722924E-05    0.460521E+03 -0.156979E-07 0.100000E-04    0.990661E+00
  17    0.338554E-05    0.441719E+03 -0.766448E-08 0.100000E-04    0.957028E+00
  18    0.385557E-05    0.428893E+03 -0.898958E-08 0.100000E-04    0.966401E+00
  19   -0.202563E-04    0.422101E+03  0.479892E-07 0.100000E-04    0.998610E+00
  20    0.336292E-05    0.408559E+03 -0.823118E-08 0.100000E-04    0.956250E+00
  21    0.389473E-05    0.396776E+03 -0.981595E-08 0.100000E-04    0.964990E+00
  22   -0.127813E-04    0.388348E+03  0.329120E-07 0.100000E-04    0.989105E+00
  23    0.287700E-05    0.369122E+03 -0.779418E-08 0.100000E-04    0.928128E+00
  24   -0.730642E-05    0.360771E+03  0.202522E-07 0.100000E-04    0.980813E+00
  25   -0.242774E-04    0.349891E+03  0.693855E-07 0.100000E-04    0.997513E+00
  26   -0.364120E-04    0.334984E+03  0.108698E-06 0.100000E-04    0.997775E+00
  27   -0.172496E-04    0.327924E+03  0.526025E-07 0.100000E-04    0.992478E+00
  28    0.108641E-04    0.321746E+03 -0.337662E-07 0.100000E-04    0.988594E+00
  29    0.320543E-04    0.319437E+03 -0.100346E-06 0.100000E-04    0.998581E+00
  30   -0.239991E-04    0.310414E+03  0.773134E-07 0.100000E-04    0.993669E+00
  31   -0.248434E-04    0.301995E+03  0.822641E-07 0.100000E-04    0.993420E+00
  32   -0.126870E-04    0.289856E+03  0.437702E-07 0.100000E-04    0.980311E+00
  33    0.154468E-04    0.278342E+03 -0.554956E-07 0.100000E-04    0.999660E+00
  34   -0.193824E-04    0.271815E+03  0.713076E-07 0.100000E-04    0.997193E+00
  35    0.260304E-04    0.267864E+03 -0.971776E-07 0.100000E-04    0.994712E+00
  36    0.261541E-04    0.264743E+03 -0.987905E-07 0.100000E-04    0.989211E+00
  37    0.207597E-04    0.262012E+03 -0.792318E-07 0.100000E-04    0.994659E+00
  38    0.585626E-05    0.253710E+03 -0.230825E-07 0.100000E-04    0.987804E+00
  39   -0.219728E-04    0.241694E+03  0.909117E-07 0.100000E-04    0.996625E+00
  40   -0.324728E-04    0.239848E+03  0.135389E-06 0.100000E-04    0.988917E+00
  41   -0.494713E-04    0.233839E+03  0.211562E-06 0.100000E-04    0.997248E+00
  42   -0.227662E-04    0.227744E+03  0.999641E-07 0.100000E-04    0.984203E+00
  43   -0.204910E-04    0.217671E+03  0.941377E-07 0.100000E-04    0.998707E+00
  44   -0.440487E-04    0.214640E+03  0.205222E-06 0.100000E-04    0.989744E+00
  45    0.732003E-05    0.213107E+03 -0.343491E-07 0.100000E-04    0.979670E+00
  46    0.364160E-04    0.207250E+03 -0.175710E-06 0.100000E-04    0.995407E+00
  47   -0.267145E-04    0.203403E+03  0.131338E-06 0.100000E-04    0.997684E+00
  48    0.617819E-05    0.196386E+03 -0.314594E-07 0.100000E-04    0.971290E+00
  49    0.322017E-04    0.194832E+03 -0.165279E-06 0.100000E-04    0.996692E+00
  50   -0.558725E-05    0.191323E+03  0.292033E-07 0.100000E-04    0.938373E+00
  51   -0.183170E-04    0.183126E+03  0.100025E-06 0.100000E-04    0.995401E+00
  52   -0.824528E-05    0.174099E+03  0.473598E-07 0.100000E-04    0.994411E+00
  53   -0.150936E-04    0.172325E+03  0.875884E-07 0.100000E-04    0.994035E+00
  54   -0.250060E-04    0.167853E+03  0.148976E-06 0.100000E-04    0.999718E+00
  55    0.243108E-04    0.163952E+03 -0.148280E-06 0.100000E-04    0.994177E+00
  56    0.849482E-05    0.157605E+03 -0.538994E-07 0.100000E-04    0.964479E+00
  57   -0.162762E-04    0.154555E+03  0.105310E-06 0.100000E-04    0.993233E+00
  58   -0.279390E-04    0.152035E+03  0.183767E-06 0.100000E-04    0.997157E+00
  59   -0.798957E-05    0.147479E+03  0.541742E-07 0.100000E-04    0.978539E+00
  60   -0.249458E-04    0.143502E+03  0.173836E-06 0.100000E-04    0.994900E+00
  61    0.354924E-04    0.137597E+03 -0.257945E-06 0.100000E-04    0.991473E+00
  62    0.229754E-04    0.135928E+03 -0.169026E-06 0.100000E-04    0.998574E+00
  63    0.141149E-04    0.130492E+03 -0.108167E-06 0.100000E-04    0.967669E+00
  64   -0.425679E-04    0.128583E+03  0.331053E-06 0.100000E-04    0.998891E+00
  65    0.225989E-04    0.126592E+03 -0.178518E-06 0.100000E-04    0.982952E+00
  66   -0.885539E-05    0.124929E+03  0.708835E-07 0.100000E-04    0.985242E+00
  67    0.183747E-04    0.119923E+03 -0.153221E-06 0.100000E-04    0.976403E+00
  68   -0.807842E-05    0.118148E+03  0.683753E-07 0.100000E-04    0.984274E+00
  69   -0.881018E-05    0.117110E+03  0.752302E-07 0.100000E-04    0.995596E+00
  70   -0.340132E-04    0.110441E+03  0.307976E-06 0.100000E-04    0.993810E+00
  71    0.728965E-05    0.107156E+03 -0.680286E-07 0.100000E-04    0.989098E+00
  72    0.837452E-04    0.104453E+03 -0.801752E-06 0.100000E-04    0.998325E+00
  73   -0.281131E-04    0.102984E+03  0.272986E-06 0.100000E-04    0.992632E+00
  74   -0.207610E-04    0.996616E+02  0.208315E-06 0.100000E-04    0.991594E+00
  75    0.817686E-04    0.958994E+02 -0.852649E-06 0.100000E-04    0.996447E+00
  76   -0.176464E-04    0.940902E+02  0.187548E-06 0.100000E-04    0.967463E+00
  77   -0.472111E-04    0.930779E+02  0.507221E-06 0.100000E-04    0.992735E+00
  78   -0.162949E-04    0.909494E+02  0.179165E-06 0.100000E-04    0.987280E+00
  79   -0.599754E-05    0.889933E+02  0.673932E-07 0.100000E-04    0.999271E+00
  80   -0.196242E-04    0.853469E+02  0.229934E-06 0.100000E-04    0.994705E+00
  81   -0.302473E-04    0.808585E+02  0.374076E-06 0.100000E-04    0.993440E+00
  82   -0.202302E-04    0.800939E+02  0.252581E-06 0.100000E-04    0.985308E+00
  83   -0.128794E-04    0.781375E+02  0.164829E-06 0.100000E-04    0.980539E+00
  84    0.595581E-04    0.731646E+02 -0.814029E-06 0.100000E-04    0.996108E+00
  85   -0.186449E-04    0.727073E+02  0.256437E-06 0.100000E-04    0.962966E+00
  86    0.212208E-04    0.681647E+02 -0.311317E-06 0.100000E-04    0.992246E+00
  87    0.469573E-04    0.652917E+02 -0.719192E-06 0.100000E-04    0.993786E+00
  88   -0.198354E-04    0.622583E+02  0.318599E-06 0.100000E-04    0.969414E+00
  89    0.106354E-04    0.599732E+02 -0.177336E-06 0.100000E-04    0.951935E+00
  90   -0.470152E-04    0.593855E+02  0.791695E-06 0.100000E-04    0.993476E+00
  91   -0.553658E-04    0.586728E+02  0.943637E-06 0.100000E-04    0.989513E+00
  92   -0.608626E-04    0.560210E+02  0.108643E-05 0.100000E-04    0.997733E+00
  93   -0.217226E-04    0.525496E+02  0.413374E-06 0.100000E-04    0.960014E+00
  94    0.562309E-04    0.522789E+02 -0.107559E-05 0.100000E-04    0.998741E+00
  95    0.564428E-05    0.500166E+02 -0.112848E-06 0.100000E-04    0.935941E+00
  96    0.111635E-04    0.468033E+02 -0.238520E-06 0.100000E-04    0.988842E+00
  97   -0.372038E-04    0.429961E+02  0.865284E-06 0.100000E-04    0.973359E+00
  98   -0.572258E-04    0.407225E+02  0.140526E-05 0.100000E-04    0.994858E+00
  99   -0.113242E-03    0.378467E+02  0.299212E-05 0.100000E-04    0.991185E+00
 100    0.760229E-04    0.364311E+02 -0.208676E-05 0.100000E-04    0.990457E+00
 101   -0.169575E-04    0.331075E+02  0.512195E-06 0.100000E-04    0.903262E+00
 102    0.112241E-03    0.287872E+02 -0.389897E-05 0.100000E-04    0.997573E+00
 103    0.508545E-04    0.284978E+02 -0.178450E-05 0.100000E-04    0.991312E+00
 104   -0.147639E-03    0.265674E+02  0.555715E-05 0.100000E-04    0.993493E+00
 105   -0.728843E-04    0.232271E+02  0.313790E-05 0.100000E-04    0.985022E+00
 106   -0.546926E-04    0.211007E+02  0.259198E-05 0.100000E-04    0.956829E+00
 107    0.421730E-04    0.203277E+02 -0.207465E-05 0.100000E-04    0.948246E+00
 108   -0.499158E-05    0.166744E+02  0.299356E-06 0.100000E-04    0.137237E+01
 109   -0.748567E-04    0.138552E+02  0.540279E-05 0.100000E-04    0.979349E+00
 110    0.141488E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.612394E+00
 111    0.650495E-04    0.100565E+02 -0.646843E-05 0.100000E-04    0.983621E+00
 112    0.198572E-01    0.850448E+01 -0.208130E-04 0.208130E-04    0.213826E+00
 113    0.400691E-01    0.614867E+01 -0.517997E-04 0.517997E-04    0.213153E+00
 114   -0.842186E+00    0.355952E+01 -0.400000E-03 0.400000E-03    0.280319E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2246591922    

 Beginning of optimization cycle  453.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3196084251
 potential> RMS force:                                               0.0791312234   |gradient|=.8448902646    
 Eigenvalues of the Hessian matrix:
   741.49466    674.48882    628.69141    602.45886    587.10034    576.67850 
   566.85064    486.21970    462.16133    460.51429    441.72234    428.88911 
   422.10108    408.55994    396.77156    388.34087    369.13496    360.76470 
   349.88244    334.98271    327.94271    321.75061    319.42340    310.40142 
   301.97602    289.86706    278.34135    271.82757    267.87204    264.74429 
   262.03797    253.70454    241.68846    239.86113    233.83330    227.73634 
   217.65254    214.64550    213.11286    207.25327    203.39935    196.37478 
   194.82899    191.32129    183.11703    174.09517    172.32533    167.85683 
   163.94158    157.59292    154.55903    152.04087    147.46877    143.50266 
   137.60169    135.92724    130.49085    128.58692    126.59650    124.92131 
   119.92433    118.14857    117.10918    110.43752    107.15170    104.45085 
   102.98143     99.66063     95.90342     94.09492     93.06008     90.95256 
    88.98631     85.34975     80.85774     80.09665     78.13583     73.16897 
    72.70990     68.16323     65.28421     62.24568     59.97335     59.38520 
    58.66494     56.02010     52.54896     52.27749     50.01691     46.79562 
    42.99885     40.72541     37.84894     36.43218     33.09480     28.78735 
    28.49663     26.56053     23.22890     21.10460     20.31974     16.67225 
    13.85580     12.23901     10.05749      8.50426      6.14005      3.55367 
overlap for current and previous eigenvector    109 is         0.9999998050
overlap for current and previous eigenvector    110 is         0.9999997401
overlap for current and previous eigenvector    111 is         0.9999997683
overlap for current and previous eigenvector    112 is         0.9999995663
overlap for current and previous eigenvector    113 is         0.9999992435
overlap for current and previous eigenvector    114 is         0.9999995575
J1,K1,R1,R2,RAT=   7   7   -0.3198604376E-02     2.003010609        0.9968013956    
FOB,PFOB,DIAG,PSTEP=   -0.8385547878E-05   -0.8358808842E-05     741.4946566        0.1127397824E-07
J1,K1,R1,R2,RAT=   8   8    0.6894492021E-02     1.993088698        0.9930886983    
FOB,PFOB,DIAG,PSTEP=   -0.7767870722E-05   -0.7821798503E-05     674.4888187        0.1159672930E-07
J1,K1,R1,R2,RAT=   9   9    0.4362705967E-01     1.956315945        0.9563159445    
FOB,PFOB,DIAG,PSTEP=   -0.3411387993E-05   -0.3567010613E-05     628.6914118        0.5673868294E-08
J1,K1,R1,R2,RAT=  10  10   -0.1283692700E-01     2.012903165        0.9871630730    
FOB,PFOB,DIAG,PSTEP=    0.3200790606E-05    0.3160224380E-05     602.4588638       -0.5245370115E-08
J1,K1,R1,R2,RAT=  11  11   -0.4397782226E-01     2.044006244        0.9560221777    
FOB,PFOB,DIAG,PSTEP=   -0.2285911224E-05   -0.2189617963E-05     587.1003404        0.3729493404E-08
J1,K1,R1,R2,RAT= 109 109    0.2899470862E-01     1.970916709        0.9709167092    
FOB,PFOB,DIAG,PSTEP=   -0.7268615450E-04   -0.7485669880E-04     13.85579652        0.5402794009E-05
J1,K1,R1,R2,RAT= 110 110   -0.4157056536         231.6244538        0.5842943464    
FOB,PFOB,DIAG,PSTEP=    0.1419971041E-01    0.1414883215E-01     12.23901107       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1427047459E-01     1.985522154        0.9855221535    
FOB,PFOB,DIAG,PSTEP=    0.6412110660E-04    0.6504948995E-04     10.05749290       -0.6468434627E-05
J1,K1,R1,R2,RAT= 112 112   -0.8838421737         225.2601493        0.1161578263    
FOB,PFOB,DIAG,PSTEP=    0.2001367430E-01    0.1985723477E-01     8.504258354       -0.2081303070E-04
J1,K1,R1,R2,RAT= 113 113   -0.8394087297         252.8044087        0.1605912703    
FOB,PFOB,DIAG,PSTEP=    0.4033602701E-01    0.4006905095E-01     6.140050640       -0.5179965663E-04
J1,K1,R1,R2,RAT= 114 114    0.9735748870        -1185.925754        0.2642511305E-01
FOB,PFOB,DIAG,PSTEP=   -0.8435699358       -0.8421860299         3.553670961       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002     -0.00003 
     0.00002      0.00001     -0.00002      0.00003     -0.00001     -0.00003 
     0.00004      0.00002      0.00001     -0.00004      0.00002     -0.00001 
     0.00002     -0.00001     -0.00001     -0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008      0.00002     -0.00005      0.00002 
    -0.00001     -0.00002     -0.00003     -0.00002     -0.00001      0.00006 
    -0.00002      0.00002      0.00005     -0.00002      0.00001     -0.00005 
    -0.00006     -0.00006     -0.00002      0.00006      0.00001      0.00001 
    -0.00004     -0.00006     -0.00011      0.00008     -0.00002      0.00011 
     0.00005     -0.00015     -0.00007     -0.00006      0.00004      0.00000 
    -0.00007      0.01420      0.00006      0.02001      0.04034     -0.84357 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.4000580322
 Log product of positive Hessian eigenvalues =          519.2988268334
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5536709612
 Unscaled step for mode    7=        0.0000000113
 Unscaled step for mode    8=        0.0000000115
 Unscaled step for mode    9=        0.0000000054
 Unscaled step for mode   10=       -0.0000000053
 Unscaled step for mode   11=        0.0000000039
 Unscaled step for mode   12=        0.0000000152
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000095
 Unscaled step for mode   15=       -0.0000000050
 Unscaled step for mode   16=       -0.0000000159
 Unscaled step for mode   17=       -0.0000000080
 Unscaled step for mode   18=       -0.0000000093
 Unscaled step for mode   19=        0.0000000482
 Unscaled step for mode   20=       -0.0000000085
 Unscaled step for mode   21=       -0.0000000101
 Unscaled step for mode   22=        0.0000000327
 Unscaled step for mode   23=       -0.0000000072
 Unscaled step for mode   24=        0.0000000200
 Unscaled step for mode   25=        0.0000000698
 Unscaled step for mode   26=        0.0000001089
 Unscaled step for mode   27=        0.0000000530
 Unscaled step for mode   28=       -0.0000000340
 Unscaled step for mode   29=       -0.0000001010
 Unscaled step for mode   30=        0.0000000767
 Unscaled step for mode   31=        0.0000000821
 Unscaled step for mode   32=        0.0000000433
 Unscaled step for mode   33=       -0.0000000556
 Unscaled step for mode   34=        0.0000000716
 Unscaled step for mode   35=       -0.0000000967
 Unscaled step for mode   36=       -0.0000000982
 Unscaled step for mode   37=       -0.0000000796
 Unscaled step for mode   38=       -0.0000000231
 Unscaled step for mode   39=        0.0000000913
 Unscaled step for mode   40=        0.0000001352
 Unscaled step for mode   41=        0.0000002112
 Unscaled step for mode   42=        0.0000000990
 Unscaled step for mode   43=        0.0000000936
 Unscaled step for mode   44=        0.0000002043
 Unscaled step for mode   45=       -0.0000000351
 Unscaled step for mode   46=       -0.0000001755
 Unscaled step for mode   47=        0.0000001303
 Unscaled step for mode   48=       -0.0000000324
 Unscaled step for mode   49=       -0.0000001650
 Unscaled step for mode   50=        0.0000000311
 Unscaled step for mode   51=        0.0000001005
 Unscaled step for mode   52=        0.0000000482
 Unscaled step for mode   53=        0.0000000883
 Unscaled step for mode   54=        0.0000001498
 Unscaled step for mode   55=       -0.0000001480
 Unscaled step for mode   56=       -0.0000000520
 Unscaled step for mode   57=        0.0000001071
 Unscaled step for mode   58=       -0.0000001836
 Unscaled step for mode   59=        0.0000000535
 Unscaled step for mode   60=        0.0000001751
 Unscaled step for mode   61=       -0.0000002611
 Unscaled step for mode   62=       -0.0000001679
 Unscaled step for mode   63=       -0.0000001101
 Unscaled step for mode   64=        0.0000003324
 Unscaled step for mode   65=       -0.0000001819
 Unscaled step for mode   66=        0.0000000704
 Unscaled step for mode   67=       -0.0000001511
 Unscaled step for mode   68=        0.0000000694
 Unscaled step for mode   69=        0.0000000766
 Unscaled step for mode   70=        0.0000003064
 Unscaled step for mode   71=       -0.0000000666
 Unscaled step for mode   72=       -0.0000008039
 Unscaled step for mode   73=        0.0000002743
 Unscaled step for mode   74=        0.0000002088
 Unscaled step for mode   75=       -0.0000008545
 Unscaled step for mode   76=       -0.0000001848
 Unscaled step for mode   77=        0.0000005110
 Unscaled step for mode   78=       -0.0000001844
 Unscaled step for mode   79=        0.0000000666
 Unscaled step for mode   80=        0.0000002301
 Unscaled step for mode   81=        0.0000003734
 Unscaled step for mode   82=        0.0000002513
 Unscaled step for mode   83=        0.0000001674
 Unscaled step for mode   84=       -0.0000008209
 Unscaled step for mode   85=        0.0000002595
 Unscaled step for mode   86=       -0.0000003177
 Unscaled step for mode   87=       -0.0000007269
 Unscaled step for mode   88=        0.0000003122
 Unscaled step for mode   89=       -0.0000001721
 Unscaled step for mode   90=        0.0000007899
 Unscaled step for mode   91=        0.0000009632
 Unscaled step for mode   92=        0.0000010830
 Unscaled step for mode   93=        0.0000004159
 Unscaled step for mode   94=       -0.0000010752
 Unscaled step for mode   95=       -0.0000001153
 Unscaled step for mode   96=       -0.0000002513
 Unscaled step for mode   97=        0.0000008916
 Unscaled step for mode   98=        0.0000014213
 Unscaled step for mode   99=        0.0000030157
 Unscaled step for mode  100=       -0.0000021052
 Unscaled step for mode  101=        0.0000005550
 Unscaled step for mode  102=       -0.0000039221
 Unscaled step for mode  103=       -0.0000017726
 Unscaled step for mode  104=        0.0000055418
 Unscaled step for mode  105=        0.0000032059
 Unscaled step for mode  106=        0.0000027128
 Unscaled step for mode  107=       -0.0000019704
 Unscaled step for mode  108=       -0.0000000912
 Unscaled step for mode  109=        0.0000052459
 Unscaled step for mode  110=       -0.0011601992
 Unscaled step for mode  111=       -0.0000063755
 Unscaled step for mode  112=       -0.0023533579
 Unscaled step for mode  113=       -0.0065690478
 Unscaled step for mode  114=       -0.2253275007
 Largest modulus ratio of non-zero e/values=           208.6559686    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.315720E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.221297E-14    0.100679E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.380772E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.705816E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.399719E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.685812E-15    0.974103E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.838555E-05    0.741495E+03  0.113090E-07 0.100000E-04    0.996801E+00
   8   -0.776787E-05    0.674489E+03  0.115167E-07 0.100000E-04    0.993089E+00
   9   -0.341139E-05    0.628691E+03  0.542617E-08 0.100000E-04    0.956316E+00
  10    0.320079E-05    0.602459E+03 -0.531288E-08 0.100000E-04    0.987163E+00
  11   -0.228591E-05    0.587100E+03  0.389356E-08 0.100000E-04    0.956022E+00
  12   -0.876837E-05    0.576679E+03  0.152050E-07 0.100000E-04    0.975545E+00
  13   -0.348918E-05    0.566851E+03  0.615537E-08 0.100000E-04    0.986860E+00
  14    0.461339E-05    0.486220E+03 -0.948829E-08 0.100000E-04    0.987954E+00
  15    0.229979E-05    0.462161E+03 -0.497617E-08 0.100000E-04    0.939121E+00
  16    0.730454E-05    0.460514E+03 -0.158617E-07 0.100000E-04    0.989584E+00
  17    0.354438E-05    0.441722E+03 -0.802401E-08 0.100000E-04    0.953084E+00
  18    0.400817E-05    0.428889E+03 -0.934546E-08 0.100000E-04    0.960421E+00
  19   -0.203590E-04    0.422101E+03  0.482324E-07 0.100000E-04    0.994933E+00
  20    0.348553E-05    0.408560E+03 -0.853127E-08 0.100000E-04    0.963541E+00
  21    0.399827E-05    0.396772E+03 -0.100770E-07 0.100000E-04    0.973417E+00
  22   -0.127004E-04    0.388341E+03  0.327043E-07 0.100000E-04    0.993670E+00
  23    0.265712E-05    0.369135E+03 -0.719823E-08 0.100000E-04    0.923504E+00
  24   -0.722395E-05    0.360765E+03  0.200240E-07 0.100000E-04    0.988712E+00
  25   -0.244335E-04    0.349882E+03  0.698333E-07 0.100000E-04    0.993570E+00
  26   -0.364930E-04    0.334983E+03  0.108940E-06 0.100000E-04    0.997776E+00
  27   -0.173778E-04    0.327943E+03  0.529904E-07 0.100000E-04    0.992567E+00
  28    0.109437E-04    0.321751E+03 -0.340131E-07 0.100000E-04    0.992673E+00
  29    0.322498E-04    0.319423E+03 -0.100963E-06 0.100000E-04    0.993901E+00
  30   -0.237992E-04    0.310401E+03  0.766722E-07 0.100000E-04    0.991667E+00
  31   -0.247943E-04    0.301976E+03  0.821070E-07 0.100000E-04    0.998026E+00
  32   -0.125410E-04    0.289867E+03  0.432647E-07 0.100000E-04    0.988411E+00
  33    0.154742E-04    0.278341E+03 -0.555944E-07 0.100000E-04    0.998222E+00
  34   -0.194638E-04    0.271828E+03  0.716033E-07 0.100000E-04    0.995805E+00
  35    0.258960E-04    0.267872E+03 -0.966729E-07 0.100000E-04    0.994777E+00
  36    0.260078E-04    0.264744E+03 -0.982374E-07 0.100000E-04    0.994397E+00
  37    0.208484E-04    0.262038E+03 -0.795624E-07 0.100000E-04    0.995730E+00
  38    0.586124E-05    0.253705E+03 -0.231026E-07 0.100000E-04    0.999150E+00
  39   -0.220627E-04    0.241688E+03  0.912855E-07 0.100000E-04    0.995910E+00
  40   -0.324264E-04    0.239861E+03  0.135188E-06 0.100000E-04    0.998464E+00
  41   -0.493836E-04    0.233833E+03  0.211191E-06 0.100000E-04    0.998228E+00
  42   -0.225475E-04    0.227736E+03  0.990072E-07 0.100000E-04    0.990393E+00
  43   -0.203677E-04    0.217653E+03  0.935789E-07 0.100000E-04    0.993979E+00
  44   -0.438577E-04    0.214646E+03  0.204326E-06 0.100000E-04    0.995610E+00
  45    0.747956E-05    0.213113E+03 -0.350967E-07 0.100000E-04    0.978207E+00
  46    0.363660E-04    0.207253E+03 -0.175466E-06 0.100000E-04    0.998596E+00
  47   -0.265124E-04    0.203399E+03  0.130346E-06 0.100000E-04    0.992433E+00
  48    0.636754E-05    0.196375E+03 -0.324254E-07 0.100000E-04    0.969350E+00
  49    0.321456E-04    0.194829E+03 -0.164994E-06 0.100000E-04    0.998260E+00
  50   -0.595176E-05    0.191321E+03  0.311087E-07 0.100000E-04    0.934760E+00
  51   -0.183984E-04    0.183117E+03  0.100474E-06 0.100000E-04    0.995556E+00
  52   -0.839983E-05    0.174095E+03  0.482485E-07 0.100000E-04    0.981255E+00
  53   -0.152217E-04    0.172325E+03  0.883312E-07 0.100000E-04    0.991514E+00
  54   -0.251412E-04    0.167857E+03  0.149778E-06 0.100000E-04    0.994596E+00
  55    0.242675E-04    0.163942E+03 -0.148025E-06 0.100000E-04    0.998219E+00
  56    0.819589E-05    0.157593E+03 -0.520067E-07 0.100000E-04    0.964808E+00
  57   -0.165573E-04    0.154559E+03  0.107126E-06 0.100000E-04    0.982732E+00
  58    0.279141E-04    0.152041E+03 -0.183596E-06 0.100000E-04    0.999034E+00
  59   -0.789326E-05    0.147469E+03  0.535250E-07 0.100000E-04    0.987945E+00
  60   -0.251307E-04    0.143503E+03  0.175123E-06 0.100000E-04    0.992588E+00
  61    0.359326E-04    0.137602E+03 -0.261135E-06 0.100000E-04    0.987596E+00
  62    0.228166E-04    0.135927E+03 -0.167859E-06 0.100000E-04    0.993089E+00
  63    0.143656E-04    0.130491E+03 -0.110089E-06 0.100000E-04    0.982240E+00
  64   -0.427484E-04    0.128587E+03  0.332448E-06 0.100000E-04    0.995758E+00
  65    0.230310E-04    0.126597E+03 -0.181924E-06 0.100000E-04    0.980881E+00
  66   -0.879339E-05    0.124921E+03  0.703914E-07 0.100000E-04    0.992998E+00
  67    0.181189E-04    0.119924E+03 -0.151086E-06 0.100000E-04    0.986062E+00
  68   -0.820201E-05    0.118149E+03  0.694212E-07 0.100000E-04    0.984701E+00
  69   -0.897324E-05    0.117109E+03  0.766228E-07 0.100000E-04    0.981492E+00
  70   -0.338375E-04    0.110438E+03  0.306395E-06 0.100000E-04    0.994836E+00
  71    0.713774E-05    0.107152E+03 -0.666134E-07 0.100000E-04    0.979159E+00
  72    0.839687E-04    0.104451E+03 -0.803907E-06 0.100000E-04    0.997330E+00
  73   -0.282435E-04    0.102981E+03  0.274258E-06 0.100000E-04    0.995363E+00
  74   -0.208128E-04    0.996606E+02  0.208836E-06 0.100000E-04    0.997508E+00
  75    0.819510E-04    0.959034E+02 -0.854516E-06 0.100000E-04    0.997769E+00
  76    0.173891E-04    0.940949E+02 -0.184804E-06 0.100000E-04    0.985316E+00
  77   -0.475499E-04    0.930601E+02  0.510959E-06 0.100000E-04    0.992822E+00
  78    0.167752E-04    0.909526E+02 -0.184439E-06 0.100000E-04    0.970525E+00
  79   -0.592578E-05    0.889863E+02  0.665921E-07 0.100000E-04    0.988035E+00
  80   -0.196374E-04    0.853498E+02  0.230082E-06 0.100000E-04    0.999325E+00
  81   -0.301909E-04    0.808577E+02  0.373383E-06 0.100000E-04    0.998137E+00
  82   -0.201262E-04    0.800967E+02  0.251274E-06 0.100000E-04    0.994792E+00
  83   -0.130800E-04    0.781358E+02  0.167401E-06 0.100000E-04    0.984421E+00
  84    0.600628E-04    0.731690E+02 -0.820878E-06 0.100000E-04    0.991526E+00
  85   -0.188715E-04    0.727099E+02  0.259545E-06 0.100000E-04    0.987847E+00
  86    0.216582E-04    0.681632E+02 -0.317741E-06 0.100000E-04    0.979387E+00
  87    0.474571E-04    0.652842E+02 -0.726931E-06 0.100000E-04    0.989354E+00
  88   -0.194314E-04    0.622457E+02  0.312172E-06 0.100000E-04    0.979624E+00
  89    0.103206E-04    0.599734E+02 -0.172086E-06 0.100000E-04    0.970391E+00
  90   -0.469109E-04    0.593852E+02  0.789942E-06 0.100000E-04    0.997781E+00
  91   -0.565062E-04    0.586649E+02  0.963201E-06 0.100000E-04    0.979401E+00
  92   -0.606724E-04    0.560201E+02  0.108305E-05 0.100000E-04    0.996875E+00
  93   -0.218551E-04    0.525490E+02  0.415900E-06 0.100000E-04    0.993903E+00
  94    0.562096E-04    0.522775E+02 -0.107522E-05 0.100000E-04    0.999621E+00
  95    0.576509E-05    0.500169E+02 -0.115263E-06 0.100000E-04    0.978595E+00
  96    0.117611E-04    0.467956E+02 -0.251329E-06 0.100000E-04    0.946462E+00
  97   -0.383367E-04    0.429989E+02  0.891574E-06 0.100000E-04    0.969552E+00
  98   -0.578836E-04    0.407254E+02  0.142132E-05 0.100000E-04    0.988505E+00
  99   -0.114141E-03    0.378489E+02  0.301570E-05 0.100000E-04    0.992059E+00
 100    0.766955E-04    0.364322E+02 -0.210516E-05 0.100000E-04    0.991154E+00
 101   -0.183668E-04    0.330948E+02  0.554975E-06 0.100000E-04    0.916861E+00
 102    0.112907E-03    0.287874E+02 -0.392210E-05 0.100000E-04    0.994064E+00
 103    0.505143E-04    0.284966E+02 -0.177264E-05 0.100000E-04    0.993310E+00
 104   -0.147192E-03    0.265605E+02  0.554176E-05 0.100000E-04    0.996971E+00
 105   -0.744688E-04    0.232289E+02  0.320587E-05 0.100000E-04    0.978261E+00
 106   -0.572533E-04    0.211046E+02  0.271283E-05 0.100000E-04    0.953189E+00
 107    0.400387E-04    0.203197E+02 -0.197044E-05 0.100000E-04    0.949372E+00
 108    0.152067E-05    0.166723E+02 -0.912094E-07 0.100000E-04    0.304555E+00
 109   -0.726862E-04    0.138558E+02  0.524590E-05 0.100000E-04    0.970917E+00
 110    0.141997E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.584294E+00
 111    0.641211E-04    0.100575E+02 -0.637546E-05 0.100000E-04    0.985522E+00
 112    0.200137E-01    0.850426E+01 -0.226862E-04 0.226862E-04    0.116158E+00
 113    0.403360E-01    0.614005E+01 -0.564616E-04 0.564616E-04    0.160591E+00
 114   -0.843570E+00    0.355367E+01 -0.400000E-03 0.400000E-03    0.264251E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2253275007    

 Beginning of optimization cycle  454.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3192735759
 potential> RMS force:                                               0.0792618619   |gradient|=.8462851014    
 Eigenvalues of the Hessian matrix:
   741.56471    674.49415    628.70991    602.43846    587.09191    576.71858 
   566.84196    486.24635    462.13828    460.50707    441.72596    428.88511 
   422.10096    408.56041    396.76676    388.33308    369.14803    360.75804 
   349.87399    334.98200    327.96198    321.75516    319.40996    310.38876 
   301.95658    289.87845    278.34078    271.84041    267.87997    264.74548 
   262.06371    253.69869    241.68340    239.87407    233.82815    227.72848 
   217.63411    214.65140    213.11873    207.25655    203.39537    196.36298 
   194.82572    191.31989    183.10870    174.09186    172.32613    167.86082 
   163.93137    157.58087    154.56318    152.04623    147.45803    143.50371 
   137.60695    135.92658    130.48951    128.59054    126.60119    124.91363 
   119.92537    118.14888    117.10862    110.43411    107.14760    104.44899 
   102.97921     99.65962     95.90739     94.09956     93.04222     90.95576 
    88.97929     85.35270     80.85700     80.09956     78.13415     73.17327 
    72.71231     68.16175     65.27673     62.23300     59.97350     59.38498 
    58.65706     56.01921     52.54829     52.27598     50.01737     46.78788 
    43.00178     40.72837     37.85121     36.43326     33.08204     28.78754 
    28.49545     26.55374     23.23068     21.10857     20.31175     16.67005 
    13.85642     12.23901     10.05851      8.50437      6.13153      3.54781 
overlap for current and previous eigenvector    109 is        -0.9999998015
overlap for current and previous eigenvector    110 is         0.9999997438
overlap for current and previous eigenvector    111 is        -0.9999997621
overlap for current and previous eigenvector    112 is        -0.9999996214
overlap for current and previous eigenvector    113 is        -0.9999992599
overlap for current and previous eigenvector    114 is         0.9999995185
J1,K1,R1,R2,RAT=   7   7   -0.5268693692E-02     2.005079750        0.9947313063    
FOB,PFOB,DIAG,PSTEP=   -0.8429732936E-05   -0.8385547878E-05     741.5647136        0.1130897951E-07
J1,K1,R1,R2,RAT=   8   8   -0.1117557373E-01     2.011159763        0.9888244263    
FOB,PFOB,DIAG,PSTEP=   -0.7854681820E-05   -0.7767870722E-05     674.4941508        0.1151667827E-07
J1,K1,R1,R2,RAT=   9   9   -0.5462390928E-01     2.054565067        0.9453760907    
FOB,PFOB,DIAG,PSTEP=   -0.3597736824E-05   -0.3411387993E-05     628.7099090        0.5426172410E-08
J1,K1,R1,R2,RAT=  10  10    0.1663910305E-02     1.998403824        0.9983360897    
FOB,PFOB,DIAG,PSTEP=    0.3195464958E-05    0.3200790606E-05     602.4384609       -0.5312878269E-08
J1,K1,R1,R2,RAT=  11  11    0.1910815378E-01     1.980920576        0.9808918462    
FOB,PFOB,DIAG,PSTEP=   -0.2242232308E-05   -0.2285911224E-05     587.0919068        0.3893561401E-08
J1,K1,R1,R2,RAT= 109 109     2.021774797       -0.2186509454E-01    0.9781349055    
FOB,PFOB,DIAG,PSTEP=    0.7427551589E-04   -0.7268615450E-04     13.85642212        0.5245902275E-05
J1,K1,R1,R2,RAT= 110 110   -0.3925449354         232.4327608        0.6074550646    
FOB,PFOB,DIAG,PSTEP=    0.1424775401E-01    0.1419971041E-01     12.23900810       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.009858591       -0.1006073286E-01    0.9899392671    
FOB,PFOB,DIAG,PSTEP=   -0.6476627713E-04    0.6412110660E-04     10.05850953       -0.6375456309E-05
J1,K1,R1,R2,RAT= 112 112     208.2715282       -0.8027700138        0.1972299862    
FOB,PFOB,DIAG,PSTEP=   -0.2016855427E-01    0.2001367430E-01     8.504372867       -0.2268620346E-04
J1,K1,R1,R2,RAT= 113 113     233.8313776       -0.8073424742        0.1926575258    
FOB,PFOB,DIAG,PSTEP=   -0.4061552597E-01    0.4033602701E-01     6.131532260       -0.5646162573E-04
J1,K1,R1,R2,RAT= 114 114    0.9718229931        -1189.832862        0.2817700687E-01
FOB,PFOB,DIAG,PSTEP=   -0.8449490720       -0.8435699358         3.547807137       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00002     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001      0.00002     -0.00003 
    -0.00002     -0.00001     -0.00002     -0.00003      0.00001      0.00002 
    -0.00004     -0.00002      0.00001      0.00004      0.00002      0.00001 
     0.00002      0.00001      0.00001      0.00003     -0.00001      0.00008 
    -0.00003      0.00002     -0.00008      0.00002     -0.00005      0.00002 
     0.00001      0.00002      0.00003      0.00002      0.00001      0.00006 
     0.00002      0.00002      0.00005     -0.00002      0.00001     -0.00005 
     0.00006     -0.00006     -0.00002      0.00006      0.00001     -0.00001 
     0.00004     -0.00006      0.00011      0.00008      0.00002      0.00011 
    -0.00005     -0.00015      0.00007      0.00005     -0.00004     -0.00000 
     0.00007      0.01425     -0.00006     -0.02017     -0.04062     -0.84495 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3997896303
 Log product of positive Hessian eigenvalues =          519.2943373836
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5478071372
 Unscaled step for mode    7=        0.0000000114
 Unscaled step for mode    8=        0.0000000116
 Unscaled step for mode    9=        0.0000000057
 Unscaled step for mode   10=       -0.0000000053
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000157
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000098
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000157
 Unscaled step for mode   17=       -0.0000000077
 Unscaled step for mode   18=       -0.0000000090
 Unscaled step for mode   19=        0.0000000482
 Unscaled step for mode   20=       -0.0000000082
 Unscaled step for mode   21=       -0.0000000097
 Unscaled step for mode   22=        0.0000000330
 Unscaled step for mode   23=       -0.0000000077
 Unscaled step for mode   24=        0.0000000204
 Unscaled step for mode   25=        0.0000000696
 Unscaled step for mode   26=        0.0000001088
 Unscaled step for mode   27=        0.0000000526
 Unscaled step for mode   28=       -0.0000000337
 Unscaled step for mode   29=       -0.0000001012
 Unscaled step for mode   30=        0.0000000770
 Unscaled step for mode   31=        0.0000000826
 Unscaled step for mode   32=        0.0000000440
 Unscaled step for mode   33=       -0.0000000556
 Unscaled step for mode   34=        0.0000000719
 Unscaled step for mode   35=       -0.0000000971
 Unscaled step for mode   36=       -0.0000000992
 Unscaled step for mode   37=       -0.0000000791
 Unscaled step for mode   38=       -0.0000000234
 Unscaled step for mode   39=        0.0000000910
 Unscaled step for mode   40=        0.0000001366
 Unscaled step for mode   41=        0.0000002118
 Unscaled step for mode   42=        0.0000001003
 Unscaled step for mode   43=        0.0000000936
 Unscaled step for mode   44=        0.0000002064
 Unscaled step for mode   45=       -0.0000000358
 Unscaled step for mode   46=       -0.0000001763
 Unscaled step for mode   47=        0.0000001306
 Unscaled step for mode   48=       -0.0000000316
 Unscaled step for mode   49=       -0.0000001655
 Unscaled step for mode   50=        0.0000000293
 Unscaled step for mode   51=        0.0000001001
 Unscaled step for mode   52=        0.0000000481
 Unscaled step for mode   53=       -0.0000000878
 Unscaled step for mode   54=        0.0000001497
 Unscaled step for mode   55=        0.0000001487
 Unscaled step for mode   56=        0.0000000538
 Unscaled step for mode   57=        0.0000001063
 Unscaled step for mode   58=        0.0000001839
 Unscaled step for mode   59=       -0.0000000546
 Unscaled step for mode   60=       -0.0000001741
 Unscaled step for mode   61=        0.0000002589
 Unscaled step for mode   62=        0.0000001681
 Unscaled step for mode   63=       -0.0000001068
 Unscaled step for mode   64=       -0.0000003329
 Unscaled step for mode   65=       -0.0000001787
 Unscaled step for mode   66=       -0.0000000694
 Unscaled step for mode   67=       -0.0000001543
 Unscaled step for mode   68=       -0.0000000682
 Unscaled step for mode   69=       -0.0000000760
 Unscaled step for mode   70=       -0.0000003082
 Unscaled step for mode   71=        0.0000000674
 Unscaled step for mode   72=       -0.0000008054
 Unscaled step for mode   73=        0.0000002720
 Unscaled step for mode   74=       -0.0000002067
 Unscaled step for mode   75=        0.0000008511
 Unscaled step for mode   76=       -0.0000001785
 Unscaled step for mode   77=        0.0000005141
 Unscaled step for mode   78=       -0.0000001823
 Unscaled step for mode   79=       -0.0000000665
 Unscaled step for mode   80=       -0.0000002288
 Unscaled step for mode   81=       -0.0000003756
 Unscaled step for mode   82=       -0.0000002548
 Unscaled step for mode   83=       -0.0000001642
 Unscaled step for mode   84=       -0.0000008174
 Unscaled step for mode   85=       -0.0000002498
 Unscaled step for mode   86=       -0.0000003153
 Unscaled step for mode   87=       -0.0000007236
 Unscaled step for mode   88=        0.0000003208
 Unscaled step for mode   89=       -0.0000001807
 Unscaled step for mode   90=        0.0000007857
 Unscaled step for mode   91=       -0.0000009559
 Unscaled step for mode   92=        0.0000010843
 Unscaled step for mode   93=        0.0000004298
 Unscaled step for mode   94=       -0.0000010733
 Unscaled step for mode   95=       -0.0000001074
 Unscaled step for mode   96=        0.0000002506
 Unscaled step for mode   97=       -0.0000008683
 Unscaled step for mode   98=        0.0000014114
 Unscaled step for mode   99=       -0.0000029891
 Unscaled step for mode  100=       -0.0000020851
 Unscaled step for mode  101=       -0.0000005130
 Unscaled step for mode  102=       -0.0000039132
 Unscaled step for mode  103=        0.0000017898
 Unscaled step for mode  104=        0.0000055877
 Unscaled step for mode  105=       -0.0000031673
 Unscaled step for mode  106=       -0.0000026021
 Unscaled step for mode  107=        0.0000020420
 Unscaled step for mode  108=        0.0000002714
 Unscaled step for mode  109=       -0.0000053604
 Unscaled step for mode  110=       -0.0011641250
 Unscaled step for mode  111=        0.0000064390
 Unscaled step for mode  112=        0.0023715377
 Unscaled step for mode  113=        0.0066237512
 Unscaled step for mode  114=       -0.2259969566
 Largest modulus ratio of non-zero e/values=           209.0205823    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.890022E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.833101E-15    0.100679E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.158012E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.290348E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.102322E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.129833E-16    0.974105E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.842973E-05    0.741565E+03  0.113675E-07 0.100000E-04    0.994731E+00
   8   -0.785468E-05    0.674494E+03  0.116453E-07 0.100000E-04    0.988824E+00
   9   -0.359774E-05    0.628710E+03  0.572241E-08 0.100000E-04    0.945376E+00
  10    0.319546E-05    0.602438E+03 -0.530422E-08 0.100000E-04    0.998336E+00
  11   -0.224223E-05    0.587092E+03  0.381922E-08 0.100000E-04    0.980892E+00
  12   -0.903570E-05    0.576719E+03  0.156674E-07 0.100000E-04    0.969515E+00
  13   -0.345074E-05    0.566842E+03  0.608766E-08 0.100000E-04    0.988984E+00
  14    0.474763E-05    0.486246E+03 -0.976384E-08 0.100000E-04    0.970904E+00
  15    0.222320E-05    0.462138E+03 -0.481068E-08 0.100000E-04    0.966694E+00
  16    0.723982E-05    0.460507E+03 -0.157214E-07 0.100000E-04    0.991139E+00
  17    0.338272E-05    0.441726E+03 -0.765797E-08 0.100000E-04    0.954373E+00
  18    0.387783E-05    0.428885E+03 -0.904165E-08 0.100000E-04    0.967482E+00
  19   -0.203329E-04    0.422101E+03  0.481706E-07 0.100000E-04    0.998718E+00
  20    0.333145E-05    0.408560E+03 -0.815413E-08 0.100000E-04    0.955792E+00
  21    0.385366E-05    0.396767E+03 -0.971266E-08 0.100000E-04    0.963832E+00
  22   -0.128298E-04    0.388333E+03  0.330380E-07 0.100000E-04    0.989815E+00
  23    0.285352E-05    0.369148E+03 -0.773001E-08 0.100000E-04    0.926089E+00
  24   -0.737368E-05    0.360758E+03  0.204394E-07 0.100000E-04    0.979272E+00
  25   -0.243634E-04    0.349874E+03  0.696349E-07 0.100000E-04    0.997134E+00
  26   -0.364362E-04    0.334982E+03  0.108771E-06 0.100000E-04    0.998445E+00
  27   -0.172654E-04    0.327962E+03  0.526445E-07 0.100000E-04    0.993413E+00
  28    0.108344E-04    0.321755E+03 -0.336729E-07 0.100000E-04    0.989984E+00
  29    0.323318E-04    0.319410E+03 -0.101224E-06 0.100000E-04    0.997457E+00
  30   -0.238893E-04    0.310389E+03  0.769659E-07 0.100000E-04    0.996211E+00
  31   -0.249524E-04    0.301957E+03  0.826356E-07 0.100000E-04    0.993626E+00
  32   -0.127546E-04    0.289878E+03  0.439997E-07 0.100000E-04    0.982974E+00
  33    0.154789E-04    0.278341E+03 -0.556112E-07 0.100000E-04    0.999700E+00
  34   -0.195359E-04    0.271840E+03  0.718655E-07 0.100000E-04    0.996291E+00
  35    0.260135E-04    0.267880E+03 -0.971088E-07 0.100000E-04    0.995461E+00
  36    0.262497E-04    0.264745E+03 -0.991508E-07 0.100000E-04    0.990698E+00
  37    0.207307E-04    0.262064E+03 -0.791055E-07 0.100000E-04    0.994158E+00
  38    0.594711E-05    0.253699E+03 -0.234416E-07 0.100000E-04    0.985348E+00
  39   -0.219956E-04    0.241683E+03  0.910101E-07 0.100000E-04    0.996962E+00
  40   -0.327745E-04    0.239874E+03  0.136632E-06 0.100000E-04    0.989265E+00
  41   -0.495232E-04    0.233828E+03  0.211793E-06 0.100000E-04    0.997173E+00
  42   -0.228522E-04    0.227728E+03  0.100349E-06 0.100000E-04    0.986487E+00
  43   -0.203745E-04    0.217634E+03  0.936180E-07 0.100000E-04    0.999667E+00
  44   -0.442933E-04    0.214651E+03  0.206350E-06 0.100000E-04    0.990067E+00
  45    0.763245E-05    0.213119E+03 -0.358131E-07 0.100000E-04    0.979560E+00
  46    0.365364E-04    0.207257E+03 -0.176286E-06 0.100000E-04    0.995312E+00
  47   -0.265664E-04    0.203395E+03  0.130615E-06 0.100000E-04    0.997961E+00
  48    0.620409E-05    0.196363E+03 -0.315950E-07 0.100000E-04    0.974330E+00
  49    0.322519E-04    0.194826E+03 -0.165542E-06 0.100000E-04    0.996695E+00
  50   -0.561033E-05    0.191320E+03  0.293243E-07 0.100000E-04    0.942633E+00
  51   -0.183202E-04    0.183109E+03  0.100051E-06 0.100000E-04    0.995745E+00
  52   -0.836991E-05    0.174092E+03  0.480775E-07 0.100000E-04    0.996437E+00
  53    0.151358E-04    0.172326E+03 -0.878324E-07 0.100000E-04    0.994349E+00
  54   -0.251227E-04    0.167861E+03  0.149664E-06 0.100000E-04    0.999219E+00
  55   -0.243698E-04    0.163931E+03  0.148659E-06 0.100000E-04    0.995783E+00
  56   -0.848179E-05    0.157581E+03  0.538250E-07 0.100000E-04    0.965114E+00
  57   -0.164247E-04    0.154563E+03  0.106265E-06 0.100000E-04    0.991936E+00
  58   -0.279663E-04    0.152046E+03  0.183933E-06 0.100000E-04    0.998128E+00
  59    0.805754E-05    0.147458E+03 -0.546429E-07 0.100000E-04    0.979186E+00
  60    0.249853E-04    0.143504E+03 -0.174109E-06 0.100000E-04    0.994202E+00
  61   -0.356284E-04    0.137607E+03  0.258915E-06 0.100000E-04    0.991458E+00
  62   -0.228443E-04    0.135927E+03  0.168064E-06 0.100000E-04    0.998785E+00
  63    0.139365E-04    0.130490E+03 -0.106802E-06 0.100000E-04    0.970131E+00
  64    0.428106E-04    0.128591E+03 -0.332922E-06 0.100000E-04    0.998545E+00
  65    0.226299E-04    0.126601E+03 -0.178749E-06 0.100000E-04    0.982510E+00
  66    0.866456E-05    0.124914E+03 -0.693644E-07 0.100000E-04    0.985349E+00
  67    0.185088E-04    0.119925E+03 -0.154336E-06 0.100000E-04    0.978485E+00
  68    0.806088E-05    0.118149E+03 -0.682265E-07 0.100000E-04    0.982788E+00
  69    0.889893E-05    0.117109E+03 -0.759887E-07 0.100000E-04    0.991719E+00
  70    0.340356E-04    0.110434E+03 -0.308199E-06 0.100000E-04    0.994145E+00
  71   -0.722102E-05    0.107148E+03  0.673932E-07 0.100000E-04    0.988332E+00
  72    0.841242E-04    0.104449E+03 -0.805410E-06 0.100000E-04    0.998148E+00
  73   -0.280108E-04    0.102979E+03  0.272004E-06 0.100000E-04    0.991760E+00
  74    0.205984E-04    0.996596E+02 -0.206687E-06 0.100000E-04    0.989699E+00
  75   -0.816315E-04    0.959074E+02  0.851149E-06 0.100000E-04    0.996019E+00
  76    0.167957E-04    0.940996E+02 -0.178489E-06 0.100000E-04    0.965781E+00
  77   -0.478316E-04    0.930422E+02  0.514085E-06 0.100000E-04    0.994074E+00
  78    0.165785E-04    0.909558E+02 -0.182270E-06 0.100000E-04    0.988205E+00
  79    0.591391E-05    0.889793E+02 -0.664639E-07 0.100000E-04    0.997996E+00
  80    0.195328E-04    0.853527E+02 -0.228848E-06 0.100000E-04    0.994602E+00
  81    0.303699E-04    0.808570E+02 -0.375600E-06 0.100000E-04    0.994072E+00
  82    0.204120E-04    0.800996E+02 -0.254833E-06 0.100000E-04    0.985801E+00
  83    0.128326E-04    0.781341E+02 -0.164238E-06 0.100000E-04    0.981082E+00
  84    0.598138E-04    0.731733E+02 -0.817427E-06 0.100000E-04    0.995737E+00
  85    0.181601E-04    0.727123E+02 -0.249752E-06 0.100000E-04    0.962238E+00
  86    0.214912E-04    0.681617E+02 -0.315297E-06 0.100000E-04    0.992288E+00
  87    0.472355E-04    0.652767E+02 -0.723619E-06 0.100000E-04    0.995330E+00
  88   -0.199653E-04    0.622330E+02  0.320815E-06 0.100000E-04    0.972516E+00
  89    0.108348E-04    0.599735E+02 -0.180660E-06 0.100000E-04    0.950177E+00
  90   -0.466597E-04    0.593850E+02  0.785715E-06 0.100000E-04    0.994645E+00
  91    0.560675E-04    0.586571E+02 -0.955853E-06 0.100000E-04    0.992237E+00
  92   -0.607441E-04    0.560192E+02  0.108434E-05 0.100000E-04    0.998818E+00
  93   -0.225863E-04    0.525483E+02  0.429820E-06 0.100000E-04    0.966542E+00
  94    0.561053E-04    0.522760E+02 -0.107325E-05 0.100000E-04    0.998146E+00
  95    0.537078E-05    0.500174E+02 -0.107378E-06 0.100000E-04    0.931585E+00
  96   -0.117269E-04    0.467879E+02  0.250639E-06 0.100000E-04    0.997090E+00
  97    0.373381E-04    0.430018E+02 -0.868293E-06 0.100000E-04    0.973819E+00
  98   -0.574853E-04    0.407284E+02  0.141143E-05 0.100000E-04    0.992974E+00
  99    0.113140E-03    0.378512E+02 -0.298907E-05 0.100000E-04    0.991110E+00
 100    0.759686E-04    0.364333E+02 -0.208514E-05 0.100000E-04    0.990464E+00
 101    0.169712E-04    0.330820E+02 -0.513004E-06 0.100000E-04    0.923987E+00
 102    0.112653E-03    0.287875E+02 -0.391324E-05 0.100000E-04    0.997734E+00
 103   -0.510015E-04    0.284955E+02  0.178981E-05 0.100000E-04    0.990354E+00
 104   -0.148375E-03    0.265537E+02  0.558773E-05 0.100000E-04    0.991960E+00
 105    0.735788E-04    0.232307E+02 -0.316731E-05 0.100000E-04    0.987896E+00
 106    0.549264E-04    0.211086E+02 -0.260209E-05 0.100000E-04    0.958991E+00
 107   -0.414759E-04    0.203117E+02  0.204196E-05 0.100000E-04    0.964092E+00
 108   -0.452402E-05    0.166700E+02  0.271386E-06 0.100000E-04    0.975284E+00
 109    0.742755E-04    0.138564E+02 -0.536037E-05 0.100000E-04    0.978135E+00
 110    0.142478E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.607455E+00
 111   -0.647663E-04    0.100585E+02  0.643895E-05 0.100000E-04    0.989939E+00
 112   -0.201686E-01    0.850437E+01  0.247280E-04 0.247280E-04    0.197230E+00
 113   -0.406155E-01    0.613153E+01  0.615432E-04 0.615432E-04    0.192658E+00
 114   -0.844949E+00    0.354781E+01 -0.400000E-03 0.400000E-03    0.281770E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2259969566    

 Beginning of optimization cycle  455.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3189384406
 potential> RMS force:                                               0.0793920919   |gradient|=.8476755775    
 Eigenvalues of the Hessian matrix:
   741.63541    674.49920    628.72911    602.41755    587.08335    576.75871 
   566.83239    486.27285    462.11501    460.49971    441.72940    428.88144 
   422.10069    408.56041    396.76186    388.32492    369.16122    360.75145 
   349.86537    334.98153    327.98144    321.75964    319.39663    310.37596 
   301.93706    289.88980    278.34055    271.85329    267.88788    264.74670 
   262.08970    253.69266    241.67833    239.88713    233.82328    227.72068 
   217.61585    214.65735    213.12451    207.25996    203.39128    196.35103 
   194.82252    191.31862    183.10057    174.08875    172.32691    167.86485 
   163.92111    157.56883    154.56739    152.05151    147.44716    143.50466 
   137.61230    135.92592    130.48810    128.59418    126.60591    124.90572 
   119.92643    118.14922    117.10797    110.43079    107.14348    104.44721 
   102.97700     99.65859     95.91133     94.10409     93.02433     90.95901 
    88.97217     85.35571     80.85627     80.10262     78.13243     73.17752 
    72.71456     68.16023     65.26918     62.22019     59.97366     59.38481 
    58.64917     56.01829     52.54761     52.27438     50.01797     46.78007 
    43.00484     40.73133     37.85344     36.43428     33.06924     28.78780 
    28.49429     26.54702     23.23245     21.11257     20.30375     16.66782 
    13.85706     12.23901     10.05950      8.50486      6.12313      3.54193 
overlap for current and previous eigenvector    109 is         0.9999997981
overlap for current and previous eigenvector    110 is         0.9999997496
overlap for current and previous eigenvector    111 is         0.9999997547
overlap for current and previous eigenvector    112 is         0.9999996676
overlap for current and previous eigenvector    113 is         0.9999992569
overlap for current and previous eigenvector    114 is         0.9999994687
J1,K1,R1,R2,RAT=   7   7   -0.4739527526E-02     2.004548887        0.9952604725    
FOB,PFOB,DIAG,PSTEP=   -0.8469689696E-05   -0.8429732936E-05     741.6354065        0.1136749468E-07
J1,K1,R1,R2,RAT=   8   8   -0.1168829577E-01     2.011673331        0.9883117042    
FOB,PFOB,DIAG,PSTEP=   -0.7946490352E-05   -0.7854681820E-05     674.4991975        0.1164529271E-07
J1,K1,R1,R2,RAT=   9   9   -0.5611281751E-01     2.056051750        0.9438871825    
FOB,PFOB,DIAG,PSTEP=   -0.3799622138E-05   -0.3597736824E-05     628.7291064        0.5722411517E-08
J1,K1,R1,R2,RAT=  10  10   -0.1436182006E-02     2.001505613        0.9985638180    
FOB,PFOB,DIAG,PSTEP=    0.3200054068E-05    0.3195464958E-05     602.4175477       -0.5304218049E-08
J1,K1,R1,R2,RAT=  11  11    0.1976507972E-01     1.980264073        0.9802349203    
FOB,PFOB,DIAG,PSTEP=   -0.2197915054E-05   -0.2242232308E-05     587.0833492        0.3819218562E-08
J1,K1,R1,R2,RAT= 109 109   -0.2253591222E-01     2.022443582        0.9774640878    
FOB,PFOB,DIAG,PSTEP=    0.7594945968E-04    0.7427551589E-04     13.85706183       -0.5360367579E-05
J1,K1,R1,R2,RAT= 110 110   -0.3676357038         233.1929399        0.6323642962    
FOB,PFOB,DIAG,PSTEP=    0.1429274898E-01    0.1424775401E-01     12.23900818       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1410005950E-01     2.013903502        0.9858999405    
FOB,PFOB,DIAG,PSTEP=   -0.6567957525E-04   -0.6476627713E-04     10.05949816        0.6438953698E-05
J1,K1,R1,R2,RAT= 112 112   -0.7311411174         192.5314820        0.2688588826    
FOB,PFOB,DIAG,PSTEP=   -0.2032231895E-01   -0.2016855427E-01     8.504858028        0.2472796178E-04
J1,K1,R1,R2,RAT= 113 113   -0.7893830423         216.3497954        0.2106169577    
FOB,PFOB,DIAG,PSTEP=   -0.4091299439E-01   -0.4061552597E-01     6.123125981        0.6154317205E-04
J1,K1,R1,R2,RAT= 114 114    0.9697435422        -1193.749528        0.3025645778E-01
FOB,PFOB,DIAG,PSTEP=   -0.8463229784       -0.8449490720         3.541932397       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001      0.00002     -0.00003 
    -0.00002     -0.00001     -0.00002     -0.00003      0.00001      0.00002 
    -0.00004     -0.00002      0.00001     -0.00004     -0.00002      0.00001 
     0.00002      0.00001      0.00001      0.00003     -0.00001      0.00008 
    -0.00003      0.00002     -0.00008      0.00002      0.00005      0.00002 
     0.00001      0.00002      0.00003      0.00002      0.00001     -0.00006 
    -0.00002      0.00002      0.00005     -0.00002     -0.00001      0.00005 
     0.00006     -0.00006     -0.00002      0.00006      0.00000     -0.00001 
     0.00004     -0.00006      0.00011      0.00008      0.00002      0.00011 
    -0.00005     -0.00015      0.00007      0.00005     -0.00004     -0.00001 
     0.00008      0.01429     -0.00007     -0.02032     -0.04091     -0.84632 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3995176354
 Log product of positive Hessian eigenvalues =          519.2898978182
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5419323970
 Unscaled step for mode    7=        0.0000000114
 Unscaled step for mode    8=        0.0000000118
 Unscaled step for mode    9=        0.0000000060
 Unscaled step for mode   10=       -0.0000000053
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000162
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000101
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000156
 Unscaled step for mode   17=       -0.0000000073
 Unscaled step for mode   18=       -0.0000000087
 Unscaled step for mode   19=        0.0000000481
 Unscaled step for mode   20=       -0.0000000078
 Unscaled step for mode   21=       -0.0000000093
 Unscaled step for mode   22=        0.0000000334
 Unscaled step for mode   23=       -0.0000000083
 Unscaled step for mode   24=        0.0000000208
 Unscaled step for mode   25=        0.0000000694
 Unscaled step for mode   26=        0.0000001085
 Unscaled step for mode   27=        0.0000000522
 Unscaled step for mode   28=       -0.0000000333
 Unscaled step for mode   29=       -0.0000001013
 Unscaled step for mode   30=        0.0000000775
 Unscaled step for mode   31=        0.0000000832
 Unscaled step for mode   32=        0.0000000449
 Unscaled step for mode   33=       -0.0000000556
 Unscaled step for mode   34=        0.0000000721
 Unscaled step for mode   35=       -0.0000000977
 Unscaled step for mode   36=       -0.0000001003
 Unscaled step for mode   37=       -0.0000000786
 Unscaled step for mode   38=       -0.0000000237
 Unscaled step for mode   39=        0.0000000907
 Unscaled step for mode   40=        0.0000001381
 Unscaled step for mode   41=        0.0000002124
 Unscaled step for mode   42=        0.0000001020
 Unscaled step for mode   43=        0.0000000937
 Unscaled step for mode   44=        0.0000002085
 Unscaled step for mode   45=       -0.0000000365
 Unscaled step for mode   46=       -0.0000001772
 Unscaled step for mode   47=        0.0000001310
 Unscaled step for mode   48=       -0.0000000305
 Unscaled step for mode   49=       -0.0000001661
 Unscaled step for mode   50=        0.0000000273
 Unscaled step for mode   51=        0.0000000995
 Unscaled step for mode   52=        0.0000000477
 Unscaled step for mode   53=       -0.0000000872
 Unscaled step for mode   54=        0.0000001496
 Unscaled step for mode   55=        0.0000001495
 Unscaled step for mode   56=        0.0000000559
 Unscaled step for mode   57=        0.0000001055
 Unscaled step for mode   58=        0.0000001844
 Unscaled step for mode   59=       -0.0000000559
 Unscaled step for mode   60=       -0.0000001731
 Unscaled step for mode   61=        0.0000002565
 Unscaled step for mode   62=        0.0000001683
 Unscaled step for mode   63=       -0.0000001030
 Unscaled step for mode   64=        0.0000003332
 Unscaled step for mode   65=        0.0000001753
 Unscaled step for mode   66=       -0.0000000682
 Unscaled step for mode   67=       -0.0000001581
 Unscaled step for mode   68=       -0.0000000670
 Unscaled step for mode   69=       -0.0000000756
 Unscaled step for mode   70=       -0.0000003101
 Unscaled step for mode   71=        0.0000000682
 Unscaled step for mode   72=       -0.0000008068
 Unscaled step for mode   73=        0.0000002700
 Unscaled step for mode   74=       -0.0000002049
 Unscaled step for mode   75=        0.0000008479
 Unscaled step for mode   76=       -0.0000001723
 Unscaled step for mode   77=       -0.0000005179
 Unscaled step for mode   78=       -0.0000001797
 Unscaled step for mode   79=       -0.0000000666
 Unscaled step for mode   80=       -0.0000002275
 Unscaled step for mode   81=       -0.0000003782
 Unscaled step for mode   82=       -0.0000002586
 Unscaled step for mode   83=       -0.0000001607
 Unscaled step for mode   84=        0.0000008140
 Unscaled step for mode   85=        0.0000002394
 Unscaled step for mode   86=       -0.0000003125
 Unscaled step for mode   87=       -0.0000007188
 Unscaled step for mode   88=        0.0000003310
 Unscaled step for mode   89=        0.0000001897
 Unscaled step for mode   90=       -0.0000007814
 Unscaled step for mode   91=       -0.0000009447
 Unscaled step for mode   92=        0.0000010869
 Unscaled step for mode   93=        0.0000004463
 Unscaled step for mode   94=       -0.0000010715
 Unscaled step for mode   95=       -0.0000000988
 Unscaled step for mode   96=        0.0000002483
 Unscaled step for mode   97=       -0.0000008428
 Unscaled step for mode   98=        0.0000014035
 Unscaled step for mode   99=       -0.0000029611
 Unscaled step for mode  100=       -0.0000020646
 Unscaled step for mode  101=       -0.0000004545
 Unscaled step for mode  102=       -0.0000039034
 Unscaled step for mode  103=        0.0000018077
 Unscaled step for mode  104=        0.0000056287
 Unscaled step for mode  105=       -0.0000031181
 Unscaled step for mode  106=       -0.0000024836
 Unscaled step for mode  107=        0.0000021535
 Unscaled step for mode  108=        0.0000005014
 Unscaled step for mode  109=       -0.0000054809
 Unscaled step for mode  110=       -0.0011678013
 Unscaled step for mode  111=        0.0000065291
 Unscaled step for mode  112=        0.0023894817
 Unscaled step for mode  113=        0.0066814186
 Unscaled step for mode  114=       -0.2266673734
 Largest modulus ratio of non-zero e/values=           209.3872280    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.230285E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.171662E-14    0.100679E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.221893E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.422839E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.269750E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.742407E-16    0.974107E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.846969E-05    0.741635E+03  0.114203E-07 0.100000E-04    0.995260E+00
   8   -0.794649E-05    0.674499E+03  0.117813E-07 0.100000E-04    0.988312E+00
   9   -0.379962E-05    0.628729E+03  0.604334E-08 0.100000E-04    0.943887E+00
  10    0.320005E-05    0.602418E+03 -0.531202E-08 0.100000E-04    0.998564E+00
  11   -0.219792E-05    0.587083E+03  0.374379E-08 0.100000E-04    0.980235E+00
  12   -0.932272E-05    0.576759E+03  0.161640E-07 0.100000E-04    0.968237E+00
  13   -0.341325E-05    0.566832E+03  0.602162E-08 0.100000E-04    0.989136E+00
  14    0.489476E-05    0.486273E+03 -0.100659E-07 0.100000E-04    0.969012E+00
  15    0.213725E-05    0.462115E+03 -0.462493E-08 0.100000E-04    0.961337E+00
  16    0.716146E-05    0.460500E+03 -0.155515E-07 0.100000E-04    0.989176E+00
  17    0.322632E-05    0.441729E+03 -0.730384E-08 0.100000E-04    0.953749E+00
  18    0.372928E-05    0.428881E+03 -0.869537E-08 0.100000E-04    0.961693E+00
  19   -0.202961E-04    0.422101E+03  0.480836E-07 0.100000E-04    0.998193E+00
  20    0.317219E-05    0.408560E+03 -0.776430E-08 0.100000E-04    0.952192E+00
  21    0.370399E-05    0.396762E+03 -0.933555E-08 0.100000E-04    0.961161E+00
  22   -0.129770E-04    0.388325E+03  0.334179E-07 0.100000E-04    0.988524E+00
  23    0.306182E-05    0.369161E+03 -0.829400E-08 0.100000E-04    0.927002E+00
  24   -0.751072E-05    0.360751E+03  0.208196E-07 0.100000E-04    0.981415E+00
  25   -0.242896E-04    0.349865E+03  0.694255E-07 0.100000E-04    0.996970E+00
  26   -0.363505E-04    0.334982E+03  0.108515E-06 0.100000E-04    0.997647E+00
  27   -0.171329E-04    0.327981E+03  0.522375E-07 0.100000E-04    0.992209E+00
  28    0.107014E-04    0.321760E+03 -0.332589E-07 0.100000E-04    0.987692E+00
  29    0.323643E-04    0.319397E+03 -0.101330E-06 0.100000E-04    0.998995E+00
  30   -0.240544E-04    0.310376E+03  0.775007E-07 0.100000E-04    0.993092E+00
  31   -0.251189E-04    0.301937E+03  0.831924E-07 0.100000E-04    0.993327E+00
  32   -0.130222E-04    0.289890E+03  0.449211E-07 0.100000E-04    0.979019E+00
  33    0.154660E-04    0.278341E+03 -0.555649E-07 0.100000E-04    0.999167E+00
  34   -0.195891E-04    0.271853E+03  0.720577E-07 0.100000E-04    0.997277E+00
  35    0.261608E-04    0.267888E+03 -0.976557E-07 0.100000E-04    0.994339E+00
  36    0.265659E-04    0.264747E+03 -0.100345E-06 0.100000E-04    0.987955E+00
  37    0.206063E-04    0.262090E+03 -0.786230E-07 0.100000E-04    0.993802E+00
  38    0.601571E-05    0.253693E+03 -0.237126E-07 0.100000E-04    0.988466E+00
  39   -0.219169E-04    0.241678E+03  0.906863E-07 0.100000E-04    0.996421E+00
  40   -0.331404E-04    0.239887E+03  0.138150E-06 0.100000E-04    0.988836E+00
  41   -0.496666E-04    0.233823E+03  0.212411E-06 0.100000E-04    0.997103E+00
  42   -0.232259E-04    0.227721E+03  0.101993E-06 0.100000E-04    0.983647E+00
  43   -0.203969E-04    0.217616E+03  0.937287E-07 0.100000E-04    0.998901E+00
  44   -0.447604E-04    0.214657E+03  0.208520E-06 0.100000E-04    0.989456E+00
  45    0.777908E-05    0.213125E+03 -0.365002E-07 0.100000E-04    0.980789E+00
  46    0.367178E-04    0.207260E+03 -0.177158E-06 0.100000E-04    0.995036E+00
  47   -0.266367E-04    0.203391E+03  0.130963E-06 0.100000E-04    0.997356E+00
  48    0.599463E-05    0.196351E+03 -0.305302E-07 0.100000E-04    0.966236E+00
  49    0.323585E-04    0.194823E+03 -0.166092E-06 0.100000E-04    0.996695E+00
  50   -0.522220E-05    0.191319E+03  0.272958E-07 0.100000E-04    0.930818E+00
  51   -0.182252E-04    0.183101E+03  0.995368E-07 0.100000E-04    0.994819E+00
  52   -0.830910E-05    0.174089E+03  0.477291E-07 0.100000E-04    0.992735E+00
  53    0.150285E-04    0.172327E+03 -0.872094E-07 0.100000E-04    0.992901E+00
  54   -0.251154E-04    0.167865E+03  0.149616E-06 0.100000E-04    0.999658E+00
  55   -0.245096E-04    0.163921E+03  0.149521E-06 0.100000E-04    0.994262E+00
  56   -0.880463E-05    0.157569E+03  0.558780E-07 0.100000E-04    0.961934E+00
  57   -0.163095E-04    0.154567E+03  0.105517E-06 0.100000E-04    0.992931E+00
  58   -0.280384E-04    0.152052E+03  0.184401E-06 0.100000E-04    0.997423E+00
  59    0.823697E-05    0.147447E+03 -0.558639E-07 0.100000E-04    0.977730E+00
  60    0.248390E-04    0.143505E+03 -0.173088E-06 0.100000E-04    0.994130E+00
  61   -0.352950E-04    0.137612E+03  0.256482E-06 0.100000E-04    0.990565E+00
  62   -0.228806E-04    0.135926E+03  0.168331E-06 0.100000E-04    0.998413E+00
  63    0.134384E-04    0.130488E+03 -0.102985E-06 0.100000E-04    0.964255E+00
  64   -0.428505E-04    0.128594E+03  0.333222E-06 0.100000E-04    0.999070E+00
  65   -0.221973E-04    0.126606E+03  0.175326E-06 0.100000E-04    0.980813E+00
  66    0.851313E-05    0.124906E+03 -0.681565E-07 0.100000E-04    0.982522E+00
  67    0.189607E-04    0.119926E+03 -0.158103E-06 0.100000E-04    0.975583E+00
  68    0.792044E-05    0.118149E+03 -0.670376E-07 0.100000E-04    0.982573E+00
  69    0.885170E-05    0.117108E+03 -0.755858E-07 0.100000E-04    0.994693E+00
  70    0.342462E-04    0.110431E+03 -0.310115E-06 0.100000E-04    0.993813E+00
  71   -0.730492E-05    0.107143E+03  0.681788E-07 0.100000E-04    0.988381E+00
  72    0.842632E-04    0.104447E+03 -0.806754E-06 0.100000E-04    0.998348E+00
  73   -0.278006E-04    0.102977E+03  0.269969E-06 0.100000E-04    0.992497E+00
  74    0.204195E-04    0.996586E+02 -0.204895E-06 0.100000E-04    0.991317E+00
  75   -0.813256E-04    0.959113E+02  0.847925E-06 0.100000E-04    0.996171E+00
  76    0.162095E-04    0.941041E+02 -0.172251E-06 0.100000E-04    0.965002E+00
  77    0.481804E-04    0.930243E+02 -0.517933E-06 0.100000E-04    0.992708E+00
  78    0.163444E-04    0.909590E+02 -0.179690E-06 0.100000E-04    0.985808E+00
  79    0.592562E-05    0.889722E+02 -0.666008E-07 0.100000E-04    0.998021E+00
  80    0.194182E-04    0.853557E+02 -0.227498E-06 0.100000E-04    0.994066E+00
  81    0.305802E-04    0.808563E+02 -0.378204E-06 0.100000E-04    0.993076E+00
  82    0.207108E-04    0.801026E+02 -0.258554E-06 0.100000E-04    0.985360E+00
  83    0.125537E-04    0.781324E+02 -0.160672E-06 0.100000E-04    0.978269E+00
  84   -0.595671E-04    0.731775E+02  0.814008E-06 0.100000E-04    0.995758E+00
  85   -0.174085E-04    0.727146E+02  0.239409E-06 0.100000E-04    0.958555E+00
  86    0.213016E-04    0.681602E+02 -0.312523E-06 0.100000E-04    0.991178E+00
  87    0.469127E-04    0.652692E+02 -0.718757E-06 0.100000E-04    0.993166E+00
  88   -0.205929E-04    0.622202E+02  0.330969E-06 0.100000E-04    0.968557E+00
  89   -0.113755E-04    0.599737E+02  0.189675E-06 0.100000E-04    0.950096E+00
  90    0.464039E-04    0.593848E+02 -0.781410E-06 0.100000E-04    0.994518E+00
  91    0.554081E-04    0.586492E+02 -0.944738E-06 0.100000E-04    0.988237E+00
  92   -0.608890E-04    0.560183E+02  0.108695E-05 0.100000E-04    0.997615E+00
  93   -0.234498E-04    0.525476E+02  0.446257E-06 0.100000E-04    0.961771E+00
  94    0.560116E-04    0.522744E+02 -0.107149E-05 0.100000E-04    0.998329E+00
  95    0.494376E-05    0.500180E+02 -0.988397E-07 0.100000E-04    0.920470E+00
  96   -0.116149E-04    0.467801E+02  0.248288E-06 0.100000E-04    0.990451E+00
  97    0.362453E-04    0.430048E+02 -0.842818E-06 0.100000E-04    0.970590E+00
  98   -0.571661E-04    0.407313E+02  0.140349E-05 0.100000E-04    0.994301E+00
  99    0.112089E-03    0.378534E+02 -0.296114E-05 0.100000E-04    0.990596E+00
 100    0.752223E-04    0.364343E+02 -0.206460E-05 0.100000E-04    0.990120E+00
 101    0.150314E-04    0.330692E+02 -0.454543E-06 0.100000E-04    0.885654E+00
 102    0.112370E-03    0.287878E+02 -0.390340E-05 0.100000E-04    0.997476E+00
 103   -0.515088E-04    0.284943E+02  0.180769E-05 0.100000E-04    0.990052E+00
 104   -0.149424E-03    0.265470E+02  0.562866E-05 0.100000E-04    0.992928E+00
 105    0.724422E-04    0.232324E+02 -0.311815E-05 0.100000E-04    0.984402E+00
 106    0.524354E-04    0.211126E+02 -0.248361E-05 0.100000E-04    0.954278E+00
 107   -0.437231E-04    0.203038E+02  0.215345E-05 0.100000E-04    0.945796E+00
 108   -0.835761E-05    0.166678E+02  0.501422E-06 0.109000E-04    0.152500E+00
 109    0.759495E-04    0.138571E+02 -0.548092E-05 0.100000E-04    0.977464E+00
 110    0.142927E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.632364E+00
 111   -0.656796E-04    0.100595E+02  0.652911E-05 0.100000E-04    0.985900E+00
 112   -0.203223E-01    0.850486E+01  0.222774E-04 0.222774E-04    0.268859E+00
 113   -0.409130E-01    0.612313E+01  0.554443E-04 0.554443E-04    0.210617E+00
 114   -0.846323E+00    0.354193E+01 -0.400000E-03 0.400000E-03    0.302565E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2266673734    

 Beginning of optimization cycle  456.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3186024822
 potential> RMS force:                                               0.0795223042   |gradient|=.8490658651    
 Eigenvalues of the Hessian matrix:
   741.70571    674.50462    628.74762    602.39704    587.07503    576.79860 
   566.82371    486.29957    462.09212    460.49241    441.73305    428.87739 
   422.10060    408.56088    396.75713    388.31714    369.17434    360.74482 
   349.85693    334.98105    328.00067    321.76424    319.38306    310.36346 
   301.91755    289.90127    278.34000    271.86619    267.89583    264.74783 
   262.11548    253.68669    241.67326    239.90000    233.81824    227.71277 
   217.59755    214.66311    213.13026    207.26332    203.38726    196.33919 
   194.81921    191.31718    183.09222    174.08564    172.32752    167.86887 
   163.91089    157.55676    154.57150    152.05688    147.43645    143.50569 
   137.61756    135.92521    130.48680    128.59774    126.61060    124.89807 
   119.92745    118.14953    117.10738    110.42743    107.13944    104.44539 
   102.97473     99.65757     95.91543     94.10855     93.00644     90.96218 
    88.96513     85.35859     80.85550     80.10551     78.13072     73.18187 
    72.71696     68.15875     65.26181     62.20739     59.97373     59.38467 
    58.64123     56.01739     52.54697     52.27287     50.01841     46.77232 
    43.00777     40.73430     37.85566     36.43533     33.05649     28.78799 
    28.49310     26.54025     23.23421     21.11657     20.29567     16.66558 
    13.85769     12.23901     10.06051      8.50496      6.11458      3.53607 
overlap for current and previous eigenvector    109 is        -0.9999998033
overlap for current and previous eigenvector    110 is        -0.9999997479
overlap for current and previous eigenvector    111 is         0.9999997637
overlap for current and previous eigenvector    112 is         0.9999996304
overlap for current and previous eigenvector    113 is         0.9999992660
overlap for current and previous eigenvector    114 is         0.9999995236
J1,K1,R1,R2,RAT=   7   7   -0.3014707660E-02     2.002825132        0.9969852923    
FOB,PFOB,DIAG,PSTEP=   -0.8495225755E-05   -0.8469689696E-05     741.7057111        0.1142028768E-07
J1,K1,R1,R2,RAT=   8   8    0.7491714403E-02     1.992492194        0.9924921936    
FOB,PFOB,DIAG,PSTEP=   -0.7886957036E-05   -0.7946490352E-05     674.5046245        0.1178131921E-07
J1,K1,R1,R2,RAT=   9   9    0.4449855450E-01     1.955442545        0.9554425451    
FOB,PFOB,DIAG,PSTEP=   -0.3630539466E-05   -0.3799622138E-05     628.7476232        0.6043337423E-08
J1,K1,R1,R2,RAT=  10  10   -0.1305908942E-01     2.013127188        0.9869409106    
FOB,PFOB,DIAG,PSTEP=    0.3241842437E-05    0.3200054068E-05     602.3970365       -0.5312020010E-08
J1,K1,R1,R2,RAT=  11  11   -0.4616836610E-01     2.046196723        0.9538316339    
FOB,PFOB,DIAG,PSTEP=   -0.2299387762E-05   -0.2197915054E-05     587.0750254        0.3743787074E-08
J1,K1,R1,R2,RAT= 109 109     1.969658029        0.3025203141E-01    0.9696580288    
FOB,PFOB,DIAG,PSTEP=   -0.7365173091E-04    0.7594945968E-04     13.85768501       -0.5480920890E-05
J1,K1,R1,R2,RAT= 110 110     233.9580505       -0.3975354131        0.6024645869    
FOB,PFOB,DIAG,PSTEP=   -0.1434140338E-01    0.1429274898E-01     12.23901135       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1446876330E-01     1.985330466        0.9853304656    
FOB,PFOB,DIAG,PSTEP=   -0.6472917761E-04   -0.6567957525E-04     10.06050809        0.6529110517E-05
J1,K1,R1,R2,RAT= 112 112   -0.8234414331         215.3424429        0.1765585669    
FOB,PFOB,DIAG,PSTEP=   -0.2047833533E-01   -0.2032231895E-01     8.504957548        0.2227744304E-04
J1,K1,R1,R2,RAT= 113 113   -0.8409083503         242.2021058        0.1590916497    
FOB,PFOB,DIAG,PSTEP=   -0.4119807815E-01   -0.4091299439E-01     6.114583952        0.5544429914E-04
J1,K1,R1,R2,RAT= 114 114    0.9715025434        -1197.669915        0.2849745660E-01
FOB,PFOB,DIAG,PSTEP=   -0.8476971006       -0.8463229784         3.536074625       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00004      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002      0.00003 
     0.00002     -0.00001     -0.00002      0.00003      0.00001     -0.00003 
    -0.00004     -0.00002      0.00001     -0.00004      0.00002     -0.00001 
     0.00002     -0.00001      0.00001      0.00003      0.00001     -0.00008 
     0.00003     -0.00002      0.00008      0.00002      0.00005      0.00002 
    -0.00001      0.00002      0.00003     -0.00002     -0.00001      0.00006 
     0.00002     -0.00002     -0.00005     -0.00002      0.00001     -0.00005 
    -0.00006     -0.00006     -0.00002      0.00006     -0.00001      0.00001 
    -0.00004      0.00006      0.00011      0.00008     -0.00002      0.00011 
    -0.00005      0.00015      0.00007      0.00006      0.00004      0.00000 
    -0.00007     -0.01434     -0.00006     -0.02048     -0.04120     -0.84770 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3992486694
 Log product of positive Hessian eigenvalues =          519.2853826364
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5360746255
 Unscaled step for mode    7=        0.0000000115
 Unscaled step for mode    8=        0.0000000117
 Unscaled step for mode    9=        0.0000000058
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000039
 Unscaled step for mode   12=        0.0000000158
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000099
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000157
 Unscaled step for mode   17=       -0.0000000077
 Unscaled step for mode   18=       -0.0000000091
 Unscaled step for mode   19=        0.0000000483
 Unscaled step for mode   20=       -0.0000000081
 Unscaled step for mode   21=       -0.0000000096
 Unscaled step for mode   22=        0.0000000332
 Unscaled step for mode   23=       -0.0000000077
 Unscaled step for mode   24=        0.0000000206
 Unscaled step for mode   25=        0.0000000699
 Unscaled step for mode   26=        0.0000001088
 Unscaled step for mode   27=        0.0000000527
 Unscaled step for mode   28=       -0.0000000335
 Unscaled step for mode   29=       -0.0000001020
 Unscaled step for mode   30=        0.0000000768
 Unscaled step for mode   31=        0.0000000830
 Unscaled step for mode   32=        0.0000000444
 Unscaled step for mode   33=       -0.0000000557
 Unscaled step for mode   34=        0.0000000724
 Unscaled step for mode   35=       -0.0000000971
 Unscaled step for mode   36=       -0.0000000998
 Unscaled step for mode   37=       -0.0000000790
 Unscaled step for mode   38=       -0.0000000237
 Unscaled step for mode   39=        0.0000000911
 Unscaled step for mode   40=        0.0000001379
 Unscaled step for mode   41=        0.0000002120
 Unscaled step for mode   42=        0.0000001009
 Unscaled step for mode   43=        0.0000000931
 Unscaled step for mode   44=        0.0000002075
 Unscaled step for mode   45=       -0.0000000373
 Unscaled step for mode   46=       -0.0000001769
 Unscaled step for mode   47=        0.0000001299
 Unscaled step for mode   48=       -0.0000000316
 Unscaled step for mode   49=       -0.0000001658
 Unscaled step for mode   50=        0.0000000293
 Unscaled step for mode   51=        0.0000001000
 Unscaled step for mode   52=        0.0000000487
 Unscaled step for mode   53=        0.0000000880
 Unscaled step for mode   54=       -0.0000001505
 Unscaled step for mode   55=       -0.0000001492
 Unscaled step for mode   56=        0.0000000538
 Unscaled step for mode   57=        0.0000001074
 Unscaled step for mode   58=       -0.0000001842
 Unscaled step for mode   59=       -0.0000000551
 Unscaled step for mode   60=        0.0000001745
 Unscaled step for mode   61=        0.0000002599
 Unscaled step for mode   62=        0.0000001671
 Unscaled step for mode   63=       -0.0000001051
 Unscaled step for mode   64=        0.0000003346
 Unscaled step for mode   65=       -0.0000001790
 Unscaled step for mode   66=        0.0000000677
 Unscaled step for mode   67=       -0.0000001558
 Unscaled step for mode   68=        0.0000000682
 Unscaled step for mode   69=       -0.0000000771
 Unscaled step for mode   70=       -0.0000003084
 Unscaled step for mode   71=       -0.0000000666
 Unscaled step for mode   72=        0.0000008089
 Unscaled step for mode   73=       -0.0000002713
 Unscaled step for mode   74=        0.0000002055
 Unscaled step for mode   75=       -0.0000008499
 Unscaled step for mode   76=       -0.0000001696
 Unscaled step for mode   77=       -0.0000005217
 Unscaled step for mode   78=       -0.0000001853
 Unscaled step for mode   79=        0.0000000657
 Unscaled step for mode   80=       -0.0000002276
 Unscaled step for mode   81=       -0.0000003774
 Unscaled step for mode   82=        0.0000002570
 Unscaled step for mode   83=        0.0000001634
 Unscaled step for mode   84=       -0.0000008212
 Unscaled step for mode   85=       -0.0000002430
 Unscaled step for mode   86=        0.0000003193
 Unscaled step for mode   87=        0.0000007270
 Unscaled step for mode   88=        0.0000003240
 Unscaled step for mode   89=       -0.0000001841
 Unscaled step for mode   90=        0.0000007797
 Unscaled step for mode   91=        0.0000009651
 Unscaled step for mode   92=        0.0000010832
 Unscaled step for mode   93=        0.0000004482
 Unscaled step for mode   94=       -0.0000010712
 Unscaled step for mode   95=        0.0000001017
 Unscaled step for mode   96=       -0.0000002617
 Unscaled step for mode   97=        0.0000008708
 Unscaled step for mode   98=       -0.0000014204
 Unscaled step for mode   99=       -0.0000029864
 Unscaled step for mode  100=       -0.0000020845
 Unscaled step for mode  101=        0.0000005004
 Unscaled step for mode  102=       -0.0000039278
 Unscaled step for mode  103=        0.0000017944
 Unscaled step for mode  104=       -0.0000056110
 Unscaled step for mode  105=       -0.0000031905
 Unscaled step for mode  106=       -0.0000026110
 Unscaled step for mode  107=       -0.0000020416
 Unscaled step for mode  108=       -0.0000002783
 Unscaled step for mode  109=        0.0000053149
 Unscaled step for mode  110=        0.0011717763
 Unscaled step for mode  111=        0.0000064340
 Unscaled step for mode  112=        0.0024077976
 Unscaled step for mode  113=        0.0067373690
 Unscaled step for mode  114=       -0.2273384605
 Largest modulus ratio of non-zero e/values=           209.7539757    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.715573E-17    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.121853E-14    0.100679E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.585747E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.161329E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.202177E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.171426E-15    0.974109E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.849523E-05    0.741706E+03  0.114536E-07 0.100000E-04    0.996985E+00
   8   -0.788696E-05    0.674505E+03  0.116930E-07 0.100000E-04    0.992492E+00
   9   -0.363054E-05    0.628748E+03  0.577424E-08 0.100000E-04    0.955443E+00
  10    0.324184E-05    0.602397E+03 -0.538157E-08 0.100000E-04    0.986941E+00
  11   -0.229939E-05    0.587075E+03  0.391668E-08 0.100000E-04    0.953832E+00
  12   -0.908483E-05    0.576799E+03  0.157504E-07 0.100000E-04    0.974345E+00
  13   -0.346115E-05    0.566824E+03  0.610622E-08 0.100000E-04    0.985967E+00
  14    0.483183E-05    0.486300E+03 -0.993592E-08 0.100000E-04    0.987035E+00
  15    0.227956E-05    0.462092E+03 -0.493314E-08 0.100000E-04    0.933409E+00
  16    0.724156E-05    0.460492E+03 -0.157257E-07 0.100000E-04    0.988816E+00
  17    0.339762E-05    0.441733E+03 -0.769157E-08 0.100000E-04    0.946905E+00
  18    0.389175E-05    0.428877E+03 -0.907428E-08 0.100000E-04    0.956434E+00
  19   -0.204029E-04    0.422101E+03  0.483366E-07 0.100000E-04    0.994738E+00
  20    0.330466E-05    0.408561E+03 -0.808853E-08 0.100000E-04    0.958240E+00
  21    0.381661E-05    0.396757E+03 -0.961952E-08 0.100000E-04    0.969593E+00
  22   -0.128886E-04    0.388317E+03  0.331910E-07 0.100000E-04    0.993189E+00
  23    0.282590E-05    0.369174E+03 -0.765465E-08 0.100000E-04    0.922878E+00
  24   -0.742057E-05    0.360745E+03  0.205701E-07 0.100000E-04    0.987998E+00
  25   -0.244539E-04    0.349857E+03  0.698968E-07 0.100000E-04    0.993237E+00
  26   -0.364375E-04    0.334981E+03  0.108775E-06 0.100000E-04    0.997605E+00
  27   -0.172715E-04    0.328001E+03  0.526570E-07 0.100000E-04    0.991909E+00
  28    0.107899E-04    0.321764E+03 -0.335334E-07 0.100000E-04    0.991732E+00
  29    0.325634E-04    0.319383E+03 -0.101957E-06 0.100000E-04    0.993849E+00
  30   -0.238426E-04    0.310363E+03  0.768217E-07 0.100000E-04    0.991198E+00
  31   -0.250601E-04    0.301918E+03  0.830032E-07 0.100000E-04    0.997662E+00
  32   -0.128624E-04    0.289901E+03  0.443683E-07 0.100000E-04    0.987653E+00
  33    0.154934E-04    0.278340E+03 -0.556636E-07 0.100000E-04    0.998227E+00
  34   -0.196714E-04    0.271866E+03  0.723571E-07 0.100000E-04    0.995798E+00
  35    0.260153E-04    0.267896E+03 -0.971099E-07 0.100000E-04    0.994382E+00
  36    0.264104E-04    0.264748E+03 -0.997568E-07 0.100000E-04    0.994138E+00
  37    0.206998E-04    0.262115E+03 -0.789723E-07 0.100000E-04    0.995459E+00
  38    0.601812E-05    0.253687E+03 -0.237227E-07 0.100000E-04    0.999598E+00
  39   -0.220131E-04    0.241673E+03  0.910861E-07 0.100000E-04    0.995612E+00
  40   -0.330804E-04    0.239900E+03  0.137892E-06 0.100000E-04    0.998082E+00
  41   -0.495703E-04    0.233818E+03  0.212004E-06 0.100000E-04    0.998061E+00
  42   -0.229869E-04    0.227713E+03  0.100947E-06 0.100000E-04    0.989711E+00
  43   -0.202610E-04    0.217598E+03  0.931123E-07 0.100000E-04    0.993340E+00
  44   -0.445452E-04    0.214663E+03  0.207512E-06 0.100000E-04    0.995140E+00
  45    0.794456E-05    0.213130E+03 -0.372756E-07 0.100000E-04    0.978728E+00
  46    0.366585E-04    0.207263E+03 -0.176869E-06 0.100000E-04    0.998352E+00
  47   -0.264257E-04    0.203387E+03  0.129928E-06 0.100000E-04    0.992078E+00
  48    0.619863E-05    0.196339E+03 -0.315710E-07 0.100000E-04    0.965967E+00
  49    0.322957E-04    0.194819E+03 -0.165773E-06 0.100000E-04    0.998060E+00
  50   -0.561161E-05    0.191317E+03  0.293314E-07 0.100000E-04    0.925431E+00
  51   -0.183133E-04    0.183092E+03  0.100022E-06 0.100000E-04    0.995170E+00
  52   -0.847342E-05    0.174086E+03  0.486739E-07 0.100000E-04    0.980223E+00
  53   -0.151621E-04    0.172328E+03  0.879842E-07 0.100000E-04    0.991111E+00
  54    0.252561E-04    0.167869E+03 -0.150451E-06 0.100000E-04    0.994397E+00
  55    0.244624E-04    0.163911E+03 -0.149242E-06 0.100000E-04    0.998073E+00
  56   -0.848359E-05    0.157557E+03  0.538446E-07 0.100000E-04    0.963534E+00
  57   -0.166055E-04    0.154571E+03  0.107430E-06 0.100000E-04    0.981846E+00
  58    0.280089E-04    0.152057E+03 -0.184200E-06 0.100000E-04    0.998878E+00
  59    0.812966E-05    0.147436E+03 -0.551401E-07 0.100000E-04    0.986972E+00
  60   -0.250354E-04    0.143506E+03  0.174456E-06 0.100000E-04    0.992094E+00
  61   -0.357621E-04    0.137618E+03  0.259865E-06 0.100000E-04    0.986769E+00
  62   -0.227124E-04    0.135925E+03  0.167095E-06 0.100000E-04    0.992651E+00
  63    0.137129E-04    0.130487E+03 -0.105091E-06 0.100000E-04    0.979567E+00
  64   -0.430350E-04    0.128598E+03  0.334649E-06 0.100000E-04    0.995692E+00
  65    0.226599E-04    0.126611E+03 -0.178973E-06 0.100000E-04    0.979164E+00
  66   -0.845644E-05    0.124898E+03  0.677068E-07 0.100000E-04    0.993341E+00
  67    0.186829E-04    0.119927E+03 -0.155785E-06 0.100000E-04    0.985333E+00
  68   -0.805299E-05    0.118150E+03  0.681593E-07 0.100000E-04    0.983266E+00
  69    0.902451E-05    0.117107E+03 -0.770619E-07 0.100000E-04    0.980477E+00
  70    0.340585E-04    0.110427E+03 -0.308425E-06 0.100000E-04    0.994520E+00
  71    0.713942E-05    0.107139E+03 -0.666367E-07 0.100000E-04    0.977344E+00
  72   -0.844894E-04    0.104445E+03  0.808934E-06 0.100000E-04    0.997316E+00
  73    0.279401E-04    0.102975E+03 -0.271330E-06 0.100000E-04    0.994982E+00
  74   -0.204785E-04    0.996576E+02  0.205488E-06 0.100000E-04    0.997113E+00
  75    0.815163E-04    0.959154E+02 -0.849877E-06 0.100000E-04    0.997656E+00
  76    0.159623E-04    0.941086E+02 -0.169616E-06 0.100000E-04    0.984657E+00
  77    0.485212E-04    0.930064E+02 -0.521697E-06 0.100000E-04    0.992925E+00
  78    0.168522E-04    0.909622E+02 -0.185266E-06 0.100000E-04    0.968937E+00
  79   -0.584901E-05    0.889651E+02  0.657450E-07 0.100000E-04    0.987072E+00
  80    0.194310E-04    0.853586E+02 -0.227640E-06 0.100000E-04    0.999341E+00
  81    0.305163E-04    0.808555E+02 -0.377418E-06 0.100000E-04    0.997911E+00
  82   -0.205884E-04    0.801055E+02  0.257016E-06 0.100000E-04    0.994017E+00
  83   -0.127698E-04    0.781307E+02  0.163441E-06 0.100000E-04    0.982786E+00
  84    0.600942E-04    0.731819E+02 -0.821163E-06 0.100000E-04    0.991150E+00
  85    0.176709E-04    0.727170E+02 -0.243010E-06 0.100000E-04    0.984927E+00
  86   -0.217602E-04    0.681587E+02  0.319258E-06 0.100000E-04    0.978470E+00
  87   -0.474425E-04    0.652618E+02  0.726956E-06 0.100000E-04    0.988706E+00
  88   -0.201558E-04    0.622074E+02  0.324009E-06 0.100000E-04    0.978766E+00
  89    0.110420E-04    0.599737E+02 -0.184114E-06 0.100000E-04    0.970681E+00
  90   -0.463004E-04    0.593847E+02  0.779669E-06 0.100000E-04    0.997769E+00
  91   -0.565933E-04    0.586412E+02  0.965077E-06 0.100000E-04    0.978607E+00
  92   -0.606805E-04    0.560174E+02  0.108324E-05 0.100000E-04    0.996575E+00
  93   -0.235499E-04    0.525470E+02  0.448168E-06 0.100000E-04    0.995730E+00
  94    0.559950E-04    0.522729E+02 -0.107121E-05 0.100000E-04    0.999705E+00
  95   -0.508606E-05    0.500184E+02  0.101684E-06 0.100000E-04    0.971217E+00
  96    0.122388E-04    0.467723E+02 -0.261668E-06 0.100000E-04    0.946275E+00
  97   -0.374502E-04    0.430078E+02  0.870777E-06 0.100000E-04    0.966759E+00
  98    0.578604E-04    0.407343E+02 -0.142044E-05 0.100000E-04    0.987854E+00
  99    0.113051E-03    0.378557E+02 -0.298636E-05 0.100000E-04    0.991422E+00
 100    0.759488E-04    0.364353E+02 -0.208448E-05 0.100000E-04    0.990342E+00
 101   -0.165419E-04    0.330565E+02  0.500412E-06 0.100000E-04    0.899472E+00
 102    0.113073E-03    0.287880E+02 -0.392779E-05 0.100000E-04    0.993743E+00
 103   -0.511288E-04    0.284931E+02  0.179443E-05 0.100000E-04    0.992623E+00
 104    0.148918E-03    0.265402E+02 -0.561102E-05 0.100000E-04    0.996610E+00
 105    0.741294E-04    0.232342E+02 -0.319053E-05 0.100000E-04    0.976713E+00
 106    0.551343E-04    0.211166E+02 -0.261095E-05 0.100000E-04    0.948539E+00
 107    0.414360E-04    0.202957E+02 -0.204162E-05 0.100000E-04    0.947669E+00
 108    0.463793E-05    0.166656E+02 -0.278294E-06 0.100000E-04    0.554875E+00
 109   -0.736517E-04    0.138577E+02  0.531487E-05 0.100000E-04    0.969658E+00
 110   -0.143414E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.602465E+00
 111   -0.647292E-04    0.100605E+02  0.643399E-05 0.100000E-04    0.985330E+00
 112   -0.204783E-01    0.850496E+01  0.242824E-04 0.242824E-04    0.176559E+00
 113   -0.411981E-01    0.611458E+01  0.604343E-04 0.604343E-04    0.159092E+00
 114   -0.847697E+00    0.353607E+01 -0.400000E-03 0.400000E-03    0.284975E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2273384605    

 Beginning of optimization cycle  457.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3182662388
 potential> RMS force:                                               0.0796521099   |gradient|=.8504518104    
 Eigenvalues of the Hessian matrix:
   741.77640    674.50969    628.76676    602.37605    587.06660    576.83851 
   566.81417    486.32610    462.06900    460.48499    441.73658    428.87367 
   422.10031    408.56088    396.75228    388.30896    369.18761    360.73827 
   349.84834    334.98077    328.02012    321.76876    319.36963    310.35088 
   301.89797    289.91267    278.33980    271.87912    267.90380    264.74896 
   262.14152    253.68055    241.66818    239.91299    233.81348    227.70492 
   217.57943    214.66892    213.13596    207.26680    203.38313    196.32721 
   194.81601    191.31589    183.08406    174.08272    172.32812    167.87292 
   163.90063    157.54471    154.57564    152.06216    147.42562    143.50664 
   137.62290    135.92450    130.48544    128.60132    126.61532    124.89020 
   119.92848    118.14986    117.10669    110.42414    107.13538    104.44363 
   102.97247     99.65653     95.91951     94.11289     92.98852     90.96538 
    88.95802     85.36155     80.85476     80.10854     78.12900     73.18617 
    72.71921     68.15723     65.25441     62.19448     59.97380     59.38458 
    58.63327     56.01646     52.54631     52.27127     50.01898     46.76450 
    43.01085     40.73728     37.85785     36.43632     33.04370     28.78824 
    28.49194     26.53355     23.23596     21.12060     20.28760     16.66330 
    13.85832     12.23901     10.06149      8.50541      6.10615      3.53020 
overlap for current and previous eigenvector    109 is         0.9999997984
overlap for current and previous eigenvector    110 is         0.9999997518
overlap for current and previous eigenvector    111 is         0.9999997565
overlap for current and previous eigenvector    112 is         0.9999996739
overlap for current and previous eigenvector    113 is         0.9999992659
overlap for current and previous eigenvector    114 is         0.9999994793
J1,K1,R1,R2,RAT=   7   7   -0.5313326382E-02     2.005122726        0.9946866736    
FOB,PFOB,DIAG,PSTEP=   -0.8540367964E-05   -0.8495225755E-05     741.7764024        0.1145363401E-07
J1,K1,R1,R2,RAT=   8   8   -0.1168183848E-01     2.011666823        0.9883181615    
FOB,PFOB,DIAG,PSTEP=   -0.7979091886E-05   -0.7886957036E-05     674.5096886        0.1169296214E-07
J1,K1,R1,R2,RAT=   9   9   -0.5520925261E-01     2.055148367        0.9447907474    
FOB,PFOB,DIAG,PSTEP=   -0.3830984938E-05   -0.3630539466E-05     628.7667645        0.5774239666E-08
J1,K1,R1,R2,RAT=  10  10    0.1901427566E-02     1.998168267        0.9980985724    
FOB,PFOB,DIAG,PSTEP=    0.3235678523E-05    0.3241842437E-05     602.3760454       -0.5381571025E-08
J1,K1,R1,R2,RAT=  11  11    0.2019745645E-01     1.979831235        0.9798025436    
FOB,PFOB,DIAG,PSTEP=   -0.2252946644E-05   -0.2299387762E-05     587.0666035        0.3916684687E-08
J1,K1,R1,R2,RAT= 109 109   -0.2299016324E-01     2.022898411        0.9770098368    
FOB,PFOB,DIAG,PSTEP=   -0.7534507391E-04   -0.7365173091E-04     13.85832078        0.5314865422E-05
J1,K1,R1,R2,RAT= 110 110   -0.3727836429         234.7283364        0.6272163571    
FOB,PFOB,DIAG,PSTEP=   -0.1438702842E-01   -0.1434140338E-01     12.23901308        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1058981833E-01     2.010394615        0.9894101817    
FOB,PFOB,DIAG,PSTEP=   -0.6541471475E-04   -0.6472917761E-04     10.06149011        0.6433986934E-05
J1,K1,R1,R2,RAT= 112 112   -0.7461919992         199.0528810        0.2538080008    
FOB,PFOB,DIAG,PSTEP=   -0.2063244783E-01   -0.2047833533E-01     8.505413704        0.2428241292E-04
J1,K1,R1,R2,RAT= 113 113   -0.8100185364         224.0931181        0.1899814636    
FOB,PFOB,DIAG,PSTEP=   -0.4149699201E-01   -0.4119807815E-01     6.106153316        0.6043428606E-04
J1,K1,R1,R2,RAT= 114 114    0.9695761101        -1201.604328        0.3042388991E-01
FOB,PFOB,DIAG,PSTEP=   -0.8490662212       -0.8476971006         3.530203915       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002      0.00003 
     0.00002     -0.00001     -0.00002      0.00003      0.00001     -0.00002 
    -0.00004     -0.00002      0.00001     -0.00004      0.00002     -0.00001 
     0.00002     -0.00001      0.00001      0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008      0.00002      0.00005      0.00002 
    -0.00001     -0.00002     -0.00003     -0.00002     -0.00001      0.00006 
     0.00002     -0.00002     -0.00005     -0.00002      0.00001     -0.00005 
    -0.00006     -0.00006     -0.00002      0.00006     -0.00000      0.00001 
    -0.00004      0.00006      0.00011      0.00008     -0.00002      0.00011 
    -0.00005      0.00015      0.00007      0.00005      0.00004      0.00001 
    -0.00008     -0.01439     -0.00007     -0.02063     -0.04150     -0.84907 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3989756313
 Log product of positive Hessian eigenvalues =          519.2809173191
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5302039153
 Unscaled step for mode    7=        0.0000000115
 Unscaled step for mode    8=        0.0000000118
 Unscaled step for mode    9=        0.0000000061
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000162
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000102
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000156
 Unscaled step for mode   17=       -0.0000000073
 Unscaled step for mode   18=       -0.0000000087
 Unscaled step for mode   19=        0.0000000483
 Unscaled step for mode   20=       -0.0000000077
 Unscaled step for mode   21=       -0.0000000092
 Unscaled step for mode   22=        0.0000000335
 Unscaled step for mode   23=       -0.0000000082
 Unscaled step for mode   24=        0.0000000210
 Unscaled step for mode   25=        0.0000000697
 Unscaled step for mode   26=        0.0000001086
 Unscaled step for mode   27=        0.0000000523
 Unscaled step for mode   28=       -0.0000000332
 Unscaled step for mode   29=       -0.0000001022
 Unscaled step for mode   30=        0.0000000771
 Unscaled step for mode   31=        0.0000000836
 Unscaled step for mode   32=        0.0000000452
 Unscaled step for mode   33=       -0.0000000557
 Unscaled step for mode   34=        0.0000000726
 Unscaled step for mode   35=       -0.0000000976
 Unscaled step for mode   36=       -0.0000001007
 Unscaled step for mode   37=       -0.0000000785
 Unscaled step for mode   38=       -0.0000000241
 Unscaled step for mode   39=        0.0000000908
 Unscaled step for mode   40=        0.0000001394
 Unscaled step for mode   41=        0.0000002126
 Unscaled step for mode   42=        0.0000001024
 Unscaled step for mode   43=        0.0000000931
 Unscaled step for mode   44=        0.0000002096
 Unscaled step for mode   45=       -0.0000000380
 Unscaled step for mode   46=       -0.0000001777
 Unscaled step for mode   47=        0.0000001302
 Unscaled step for mode   48=       -0.0000000306
 Unscaled step for mode   49=       -0.0000001663
 Unscaled step for mode   50=        0.0000000274
 Unscaled step for mode   51=        0.0000000995
 Unscaled step for mode   52=        0.0000000484
 Unscaled step for mode   53=        0.0000000875
 Unscaled step for mode   54=       -0.0000001503
 Unscaled step for mode   55=       -0.0000001499
 Unscaled step for mode   56=        0.0000000558
 Unscaled step for mode   57=        0.0000001065
 Unscaled step for mode   58=       -0.0000001846
 Unscaled step for mode   59=       -0.0000000563
 Unscaled step for mode   60=        0.0000001733
 Unscaled step for mode   61=        0.0000002574
 Unscaled step for mode   62=        0.0000001674
 Unscaled step for mode   63=       -0.0000001016
 Unscaled step for mode   64=        0.0000003350
 Unscaled step for mode   65=       -0.0000001755
 Unscaled step for mode   66=        0.0000000666
 Unscaled step for mode   67=       -0.0000001592
 Unscaled step for mode   68=        0.0000000669
 Unscaled step for mode   69=       -0.0000000764
 Unscaled step for mode   70=       -0.0000003103
 Unscaled step for mode   71=       -0.0000000675
 Unscaled step for mode   72=       -0.0000008103
 Unscaled step for mode   73=        0.0000002689
 Unscaled step for mode   74=        0.0000002032
 Unscaled step for mode   75=       -0.0000008462
 Unscaled step for mode   76=       -0.0000001633
 Unscaled step for mode   77=       -0.0000005248
 Unscaled step for mode   78=       -0.0000001828
 Unscaled step for mode   79=        0.0000000657
 Unscaled step for mode   80=        0.0000002264
 Unscaled step for mode   81=        0.0000003797
 Unscaled step for mode   82=        0.0000002607
 Unscaled step for mode   83=        0.0000001601
 Unscaled step for mode   84=       -0.0000008172
 Unscaled step for mode   85=       -0.0000002328
 Unscaled step for mode   86=        0.0000003164
 Unscaled step for mode   87=        0.0000007234
 Unscaled step for mode   88=        0.0000003331
 Unscaled step for mode   89=       -0.0000001935
 Unscaled step for mode   90=        0.0000007759
 Unscaled step for mode   91=        0.0000009565
 Unscaled step for mode   92=        0.0000010848
 Unscaled step for mode   93=        0.0000004624
 Unscaled step for mode   94=       -0.0000010691
 Unscaled step for mode   95=        0.0000000932
 Unscaled step for mode   96=       -0.0000002606
 Unscaled step for mode   97=        0.0000008457
 Unscaled step for mode   98=       -0.0000014096
 Unscaled step for mode   99=       -0.0000029581
 Unscaled step for mode  100=       -0.0000020632
 Unscaled step for mode  101=        0.0000004545
 Unscaled step for mode  102=       -0.0000039178
 Unscaled step for mode  103=        0.0000018124
 Unscaled step for mode  104=       -0.0000056582
 Unscaled step for mode  105=       -0.0000031481
 Unscaled step for mode  106=       -0.0000024939
 Unscaled step for mode  107=       -0.0000021248
 Unscaled step for mode  108=       -0.0000004747
 Unscaled step for mode  109=        0.0000054368
 Unscaled step for mode  110=        0.0011755040
 Unscaled step for mode  111=        0.0000065015
 Unscaled step for mode  112=        0.0024257875
 Unscaled step for mode  113=        0.0067956164
 Unscaled step for mode  114=       -0.2280106883
 Largest modulus ratio of non-zero e/values=           210.1228202    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.508382E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.218391E-14    0.100678E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.211853E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.360822E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.176967E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.206432E-15    0.974110E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.854037E-05    0.741776E+03  0.115134E-07 0.100000E-04    0.994687E+00
   8   -0.797909E-05    0.674510E+03  0.118295E-07 0.100000E-04    0.988318E+00
   9   -0.383098E-05    0.628767E+03  0.609286E-08 0.100000E-04    0.944791E+00
  10    0.323568E-05    0.602376E+03 -0.537153E-08 0.100000E-04    0.998099E+00
  11   -0.225295E-05    0.587067E+03  0.383763E-08 0.100000E-04    0.979803E+00
  12   -0.936992E-05    0.576839E+03  0.162436E-07 0.100000E-04    0.968621E+00
  13   -0.342024E-05    0.566814E+03  0.603415E-08 0.100000E-04    0.988181E+00
  14    0.497224E-05    0.486326E+03 -0.102241E-07 0.100000E-04    0.970942E+00
  15    0.219479E-05    0.462069E+03 -0.474992E-08 0.100000E-04    0.962810E+00
  16    0.716932E-05    0.460485E+03 -0.155691E-07 0.100000E-04    0.990024E+00
  17    0.322189E-05    0.441737E+03 -0.729370E-08 0.100000E-04    0.948264E+00
  18    0.375239E-05    0.428874E+03 -0.874941E-08 0.100000E-04    0.964191E+00
  19   -0.203722E-04    0.422100E+03  0.482638E-07 0.100000E-04    0.998494E+00
  20    0.314223E-05    0.408561E+03 -0.769097E-08 0.100000E-04    0.950849E+00
  21    0.366257E-05    0.396752E+03 -0.923137E-08 0.100000E-04    0.959637E+00
  22   -0.130240E-04    0.388309E+03  0.335404E-07 0.100000E-04    0.989493E+00
  23    0.303720E-05    0.369188E+03 -0.822670E-08 0.100000E-04    0.925231E+00
  24   -0.757731E-05    0.360738E+03  0.210050E-07 0.100000E-04    0.978878E+00
  25   -0.243751E-04    0.349848E+03  0.696733E-07 0.100000E-04    0.996779E+00
  26   -0.363721E-04    0.334981E+03  0.108580E-06 0.100000E-04    0.998203E+00
  27   -0.171476E-04    0.328020E+03  0.522760E-07 0.100000E-04    0.992706E+00
  28    0.106728E-04    0.321769E+03 -0.331693E-07 0.100000E-04    0.989127E+00
  29    0.326348E-04    0.319370E+03 -0.102185E-06 0.100000E-04    0.997808E+00
  30   -0.239424E-04    0.310351E+03  0.771461E-07 0.100000E-04    0.995818E+00
  31   -0.252251E-04    0.301898E+03  0.835552E-07 0.100000E-04    0.993415E+00
  32   -0.130905E-04    0.289913E+03  0.451532E-07 0.100000E-04    0.982268E+00
  33    0.154946E-04    0.278340E+03 -0.556678E-07 0.100000E-04    0.999925E+00
  34   -0.197416E-04    0.271879E+03  0.726115E-07 0.100000E-04    0.996436E+00
  35    0.261398E-04    0.267904E+03 -0.975715E-07 0.100000E-04    0.995217E+00
  36    0.266670E-04    0.264749E+03 -0.100726E-06 0.100000E-04    0.990283E+00
  37    0.205671E-04    0.262142E+03 -0.784579E-07 0.100000E-04    0.993387E+00
  38    0.610430E-05    0.253681E+03 -0.240629E-07 0.100000E-04    0.985681E+00
  39   -0.219385E-04    0.241668E+03  0.907795E-07 0.100000E-04    0.996613E+00
  40   -0.334400E-04    0.239913E+03  0.139384E-06 0.100000E-04    0.989129E+00
  41   -0.497104E-04    0.233813E+03  0.212607E-06 0.100000E-04    0.997175E+00
  42   -0.233076E-04    0.227705E+03  0.102359E-06 0.100000E-04    0.986049E+00
  43   -0.202579E-04    0.217579E+03  0.931059E-07 0.100000E-04    0.999847E+00
  44   -0.450002E-04    0.214669E+03  0.209626E-06 0.100000E-04    0.989786E+00
  45    0.810920E-05    0.213136E+03 -0.380471E-07 0.100000E-04    0.979277E+00
  46    0.368344E-04    0.207267E+03 -0.177715E-06 0.100000E-04    0.995201E+00
  47   -0.264857E-04    0.203383E+03  0.130226E-06 0.100000E-04    0.997729E+00
  48    0.601703E-05    0.196327E+03 -0.306479E-07 0.100000E-04    0.970700E+00
  49    0.324035E-04    0.194816E+03 -0.166329E-06 0.100000E-04    0.996662E+00
  50   -0.524669E-05    0.191316E+03  0.274242E-07 0.100000E-04    0.934971E+00
  51   -0.182253E-04    0.183084E+03  0.995463E-07 0.100000E-04    0.995199E+00
  52   -0.843234E-05    0.174083E+03  0.484387E-07 0.100000E-04    0.995152E+00
  53   -0.150706E-04    0.172328E+03  0.874529E-07 0.100000E-04    0.993958E+00
  54    0.252298E-04    0.167873E+03 -0.150291E-06 0.100000E-04    0.998911E+00
  55    0.245686E-04    0.163901E+03 -0.149899E-06 0.100000E-04    0.995659E+00
  56   -0.879225E-05    0.157545E+03  0.558079E-07 0.100000E-04    0.963614E+00
  57   -0.164578E-04    0.154576E+03  0.106471E-06 0.100000E-04    0.991048E+00
  58    0.280635E-04    0.152062E+03 -0.184553E-06 0.100000E-04    0.998051E+00
  59    0.830217E-05    0.147426E+03 -0.563143E-07 0.100000E-04    0.978779E+00
  60   -0.248756E-04    0.143507E+03  0.173341E-06 0.100000E-04    0.993606E+00
  61   -0.354279E-04    0.137623E+03  0.257427E-06 0.100000E-04    0.990578E+00
  62   -0.227488E-04    0.135924E+03  0.167363E-06 0.100000E-04    0.998400E+00
  63    0.132525E-04    0.130485E+03 -0.101563E-06 0.100000E-04    0.966425E+00
  64   -0.430866E-04    0.128601E+03  0.335040E-06 0.100000E-04    0.998801E+00
  65    0.222241E-04    0.126615E+03 -0.175525E-06 0.100000E-04    0.980696E+00
  66   -0.831846E-05    0.124890E+03  0.666062E-07 0.100000E-04    0.983682E+00
  67    0.190960E-04    0.119928E+03 -0.159228E-06 0.100000E-04    0.977892E+00
  68   -0.790152E-05    0.118150E+03  0.668771E-07 0.100000E-04    0.981186E+00
  69    0.894228E-05    0.117107E+03 -0.763601E-07 0.100000E-04    0.990887E+00
  70    0.342659E-04    0.110424E+03 -0.310311E-06 0.100000E-04    0.993913E+00
  71    0.722728E-05    0.107135E+03 -0.674593E-07 0.100000E-04    0.987694E+00
  72    0.846343E-04    0.104444E+03 -0.810335E-06 0.100000E-04    0.998285E+00
  73   -0.276892E-04    0.102972E+03  0.268899E-06 0.100000E-04    0.991020E+00
  74   -0.202539E-04    0.996565E+02  0.203237E-06 0.100000E-04    0.989035E+00
  75    0.811648E-04    0.959195E+02 -0.846176E-06 0.100000E-04    0.995603E+00
  76    0.153675E-04    0.941129E+02 -0.163288E-06 0.100000E-04    0.962647E+00
  77    0.487984E-04    0.929885E+02 -0.524779E-06 0.100000E-04    0.994284E+00
  78    0.166313E-04    0.909654E+02 -0.182831E-06 0.100000E-04    0.986821E+00
  79   -0.584033E-05    0.889580E+02  0.656526E-07 0.100000E-04    0.998514E+00
  80   -0.193243E-04    0.853616E+02  0.226382E-06 0.100000E-04    0.994440E+00
  81   -0.307035E-04    0.808548E+02  0.379737E-06 0.100000E-04    0.993864E+00
  82   -0.208837E-04    0.801085E+02  0.260692E-06 0.100000E-04    0.985660E+00
  83   -0.125063E-04    0.781290E+02  0.160072E-06 0.100000E-04    0.979363E+00
  84    0.598067E-04    0.731862E+02 -0.817185E-06 0.100000E-04    0.995098E+00
  85    0.169317E-04    0.727192E+02 -0.232836E-06 0.100000E-04    0.958105E+00
  86   -0.215681E-04    0.681572E+02  0.316446E-06 0.100000E-04    0.991170E+00
  87   -0.472024E-04    0.652544E+02  0.723359E-06 0.100000E-04    0.994938E+00
  88   -0.207153E-04    0.621945E+02  0.333073E-06 0.100000E-04    0.972234E+00
  89    0.116047E-04    0.599738E+02 -0.193496E-06 0.100000E-04    0.949041E+00
  90   -0.460783E-04    0.593846E+02  0.775931E-06 0.100000E-04    0.995204E+00
  91   -0.560806E-04    0.586333E+02  0.956464E-06 0.100000E-04    0.990940E+00
  92   -0.607694E-04    0.560165E+02  0.108485E-05 0.100000E-04    0.998535E+00
  93   -0.242992E-04    0.525463E+02  0.462434E-06 0.100000E-04    0.968181E+00
  94    0.558829E-04    0.522713E+02 -0.106909E-05 0.100000E-04    0.997998E+00
  95   -0.466370E-05    0.500190E+02  0.932386E-07 0.100000E-04    0.916936E+00
  96    0.121878E-04    0.467645E+02 -0.260620E-06 0.100000E-04    0.995829E+00
  97   -0.363758E-04    0.430109E+02  0.845735E-06 0.100000E-04    0.971170E+00
  98    0.574215E-04    0.407373E+02 -0.140956E-05 0.100000E-04    0.992269E+00
  99    0.111987E-03    0.378579E+02 -0.295809E-05 0.100000E-04    0.990476E+00
 100    0.751761E-04    0.364363E+02 -0.206322E-05 0.100000E-04    0.989772E+00
 101   -0.150175E-04    0.330437E+02  0.454474E-06 0.100000E-04    0.907813E+00
 102    0.112787E-03    0.287882E+02 -0.391782E-05 0.100000E-04    0.997453E+00
 103   -0.516392E-04    0.284919E+02  0.181241E-05 0.100000E-04    0.990018E+00
 104    0.150132E-03    0.265335E+02 -0.565819E-05 0.100000E-04    0.991845E+00
 105    0.731490E-04    0.232360E+02 -0.314810E-05 0.100000E-04    0.986626E+00
 106    0.526724E-04    0.211206E+02 -0.249389E-05 0.100000E-04    0.954973E+00
 107    0.431079E-04    0.202876E+02 -0.212484E-05 0.100000E-04    0.959635E+00
 108    0.790945E-05    0.166633E+02 -0.474663E-06 0.100000E-04    0.294520E+00
 109   -0.753451E-04    0.138583E+02  0.543681E-05 0.100000E-04    0.977010E+00
 110   -0.143870E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.627216E+00
 111   -0.654147E-04    0.100615E+02  0.650149E-05 0.100000E-04    0.989410E+00
 112   -0.206324E-01    0.850541E+01  0.218760E-04 0.218760E-04    0.253808E+00
 113   -0.414970E-01    0.610615E+01  0.658734E-04 0.658734E-04    0.189981E+00
 114   -0.849066E+00    0.353020E+01 -0.400000E-03 0.400000E-03    0.304239E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2280106883    

 Beginning of optimization cycle  458.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3179296450
 potential> RMS force:                                               0.0797815791   |gradient|=.8518341631    
 Eigenvalues of the Hessian matrix:
   741.84763    674.51421    628.78620    602.35526    587.05791    576.87873 
   566.80405    486.35239    462.04586    460.47747    441.73998    428.87043 
   422.10013    408.56074    396.74741    388.30083    369.20092    360.73182 
   349.84002    334.98081    328.03971    321.77313    319.35657    310.33833 
   301.87851    289.92417    278.33990    271.89224    267.91200    264.75015 
   262.16808    253.67446    241.66330    239.92617    233.80899    227.69730 
   217.56143    214.67475    213.14164    207.27043    203.37890    196.31515 
   194.81297    191.31458    183.07606    174.08001    172.32865    167.87713 
   163.89025    157.53258    154.57985    152.06741    147.41464    143.50744 
   137.62837    135.92378    130.48394    128.60495    126.62002    124.88211 
   119.92948    118.15014    117.10585    110.42088    107.13124    104.44180 
   102.97015     99.65542     95.92358     94.11707     92.97056     90.96865 
    88.95081     85.36456     80.85399     80.11171     78.12718     73.19036 
    72.72126     68.15552     65.24693     62.18144     59.97382     59.38442 
    58.62514     56.01540     52.54558     52.26956     50.01959     46.75653 
    43.01402     40.74022     37.85991     36.43697     33.03084     28.78849 
    28.49079     26.52687     23.23775     21.12453     20.27952     16.66097 
    13.85895     12.23901     10.06248      8.50602      6.09771      3.52434 
overlap for current and previous eigenvector    109 is         0.9999997899
overlap for current and previous eigenvector    110 is         0.9999997493
overlap for current and previous eigenvector    111 is         0.9999997409
overlap for current and previous eigenvector    112 is         0.9999996739
overlap for current and previous eigenvector    113 is         0.9999992367
overlap for current and previous eigenvector    114 is         0.9999994410
J1,K1,R1,R2,RAT=   7   7   -0.2731652017E-02     2.002539618        0.9972683480    
FOB,PFOB,DIAG,PSTEP=   -0.8563699517E-05   -0.8540367964E-05     741.8476324        0.1151339937E-07
J1,K1,R1,R2,RAT=   8   8   -0.1370117300E-01     2.013687781        0.9862988270    
FOB,PFOB,DIAG,PSTEP=   -0.8088415537E-05   -0.7979091886E-05     674.5142051        0.1182946965E-07
J1,K1,R1,R2,RAT=   9   9   -0.2985307076E-01     2.029791262        0.9701469292    
FOB,PFOB,DIAG,PSTEP=   -0.3945355137E-05   -0.3830984938E-05     628.7861968        0.6092855340E-08
J1,K1,R1,R2,RAT=  10  10    0.2274682352E-01     1.977322200        0.9772531765    
FOB,PFOB,DIAG,PSTEP=    0.3162079655E-05    0.3235678523E-05     602.3552570       -0.5371525889E-08
J1,K1,R1,R2,RAT=  11  11   -0.1339681488E-02     2.001369284        0.9986603185    
FOB,PFOB,DIAG,PSTEP=   -0.2255964830E-05   -0.2252946644E-05     587.0579144        0.3837633806E-08
J1,K1,R1,R2,RAT= 109 109    0.1354191842E-02     1.998554774        0.9985547739    
FOB,PFOB,DIAG,PSTEP=   -0.7524303758E-04   -0.7534507391E-04     13.85895160        0.5436811221E-05
J1,K1,R1,R2,RAT= 110 110   -0.3367293097         235.4379602        0.6632706903    
FOB,PFOB,DIAG,PSTEP=   -0.1442824075E-01   -0.1438702842E-01     12.23900731        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2459998981E-02     2.002263578        0.9975400010    
FOB,PFOB,DIAG,PSTEP=   -0.6557565069E-04   -0.6541471475E-04     10.06247835        0.6501493718E-05
J1,K1,R1,R2,RAT= 112 112   -0.9722657954         222.7334273        0.2773420458E-01
FOB,PFOB,DIAG,PSTEP=   -0.2081336521E-01   -0.2063244783E-01     8.506020063        0.2187604767E-04
J1,K1,R1,R2,RAT= 113 113   -0.7619075643         207.3807369        0.2380924357    
FOB,PFOB,DIAG,PSTEP=   -0.4180303258E-01   -0.4149699201E-01     6.097710793        0.6587337181E-04
J1,K1,R1,R2,RAT= 114 114    0.9679196905        -1205.543667        0.3208030948E-01
FOB,PFOB,DIAG,PSTEP=   -0.8504307313       -0.8490662212         3.524337191       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002     -0.00001     -0.00002      0.00003 
     0.00002     -0.00001      0.00002     -0.00003     -0.00001      0.00002 
    -0.00004     -0.00002      0.00001      0.00004     -0.00002     -0.00001 
     0.00002      0.00001     -0.00001      0.00003     -0.00001      0.00008 
    -0.00003     -0.00002      0.00008      0.00001      0.00005      0.00002 
    -0.00001     -0.00002     -0.00003     -0.00002      0.00001     -0.00006 
    -0.00002     -0.00002     -0.00005     -0.00002      0.00001     -0.00005 
    -0.00006     -0.00006     -0.00003      0.00006     -0.00000      0.00001 
    -0.00004      0.00006      0.00011     -0.00008      0.00001     -0.00011 
     0.00005     -0.00015     -0.00007     -0.00005     -0.00005      0.00001 
    -0.00008     -0.01443     -0.00007     -0.02081     -0.04180     -0.85043 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3987116301
 Log product of positive Hessian eigenvalues =          519.2764245388
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5243371911
 Unscaled step for mode    7=        0.0000000115
 Unscaled step for mode    8=        0.0000000120
 Unscaled step for mode    9=        0.0000000063
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000166
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000105
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000070
 Unscaled step for mode   18=       -0.0000000087
 Unscaled step for mode   19=        0.0000000482
 Unscaled step for mode   20=       -0.0000000075
 Unscaled step for mode   21=       -0.0000000090
 Unscaled step for mode   22=        0.0000000336
 Unscaled step for mode   23=       -0.0000000087
 Unscaled step for mode   24=        0.0000000212
 Unscaled step for mode   25=        0.0000000697
 Unscaled step for mode   26=        0.0000001082
 Unscaled step for mode   27=        0.0000000522
 Unscaled step for mode   28=       -0.0000000329
 Unscaled step for mode   29=       -0.0000001020
 Unscaled step for mode   30=        0.0000000778
 Unscaled step for mode   31=        0.0000000844
 Unscaled step for mode   32=        0.0000000456
 Unscaled step for mode   33=       -0.0000000552
 Unscaled step for mode   34=        0.0000000725
 Unscaled step for mode   35=       -0.0000000982
 Unscaled step for mode   36=       -0.0000001015
 Unscaled step for mode   37=       -0.0000000782
 Unscaled step for mode   38=       -0.0000000242
 Unscaled step for mode   39=        0.0000000905
 Unscaled step for mode   40=        0.0000001402
 Unscaled step for mode   41=        0.0000002130
 Unscaled step for mode   42=        0.0000001036
 Unscaled step for mode   43=        0.0000000935
 Unscaled step for mode   44=        0.0000002113
 Unscaled step for mode   45=       -0.0000000383
 Unscaled step for mode   46=       -0.0000001783
 Unscaled step for mode   47=        0.0000001305
 Unscaled step for mode   48=       -0.0000000297
 Unscaled step for mode   49=       -0.0000001674
 Unscaled step for mode   50=        0.0000000245
 Unscaled step for mode   51=        0.0000000997
 Unscaled step for mode   52=        0.0000000485
 Unscaled step for mode   53=        0.0000000871
 Unscaled step for mode   54=       -0.0000001512
 Unscaled step for mode   55=       -0.0000001505
 Unscaled step for mode   56=        0.0000000558
 Unscaled step for mode   57=       -0.0000001064
 Unscaled step for mode   58=        0.0000001850
 Unscaled step for mode   59=        0.0000000562
 Unscaled step for mode   60=       -0.0000001734
 Unscaled step for mode   61=        0.0000002546
 Unscaled step for mode   62=        0.0000001672
 Unscaled step for mode   63=       -0.0000000968
 Unscaled step for mode   64=       -0.0000003349
 Unscaled step for mode   65=        0.0000001727
 Unscaled step for mode   66=        0.0000000645
 Unscaled step for mode   67=       -0.0000001621
 Unscaled step for mode   68=       -0.0000000664
 Unscaled step for mode   69=        0.0000000757
 Unscaled step for mode   70=       -0.0000003137
 Unscaled step for mode   71=        0.0000000676
 Unscaled step for mode   72=       -0.0000008092
 Unscaled step for mode   73=        0.0000002676
 Unscaled step for mode   74=        0.0000002008
 Unscaled step for mode   75=       -0.0000008440
 Unscaled step for mode   76=       -0.0000001567
 Unscaled step for mode   77=       -0.0000005272
 Unscaled step for mode   78=       -0.0000001864
 Unscaled step for mode   79=        0.0000000646
 Unscaled step for mode   80=        0.0000002273
 Unscaled step for mode   81=        0.0000003816
 Unscaled step for mode   82=        0.0000002655
 Unscaled step for mode   83=       -0.0000001632
 Unscaled step for mode   84=        0.0000008106
 Unscaled step for mode   85=        0.0000002215
 Unscaled step for mode   86=        0.0000003153
 Unscaled step for mode   87=        0.0000007196
 Unscaled step for mode   88=        0.0000003335
 Unscaled step for mode   89=       -0.0000002040
 Unscaled step for mode   90=        0.0000007734
 Unscaled step for mode   91=        0.0000009481
 Unscaled step for mode   92=        0.0000010949
 Unscaled step for mode   93=        0.0000004758
 Unscaled step for mode   94=       -0.0000010632
 Unscaled step for mode   95=        0.0000000762
 Unscaled step for mode   96=       -0.0000002586
 Unscaled step for mode   97=        0.0000008192
 Unscaled step for mode   98=       -0.0000014038
 Unscaled step for mode   99=       -0.0000029293
 Unscaled step for mode  100=        0.0000020614
 Unscaled step for mode  101=       -0.0000003915
 Unscaled step for mode  102=        0.0000039016
 Unscaled step for mode  103=       -0.0000018210
 Unscaled step for mode  104=        0.0000056239
 Unscaled step for mode  105=        0.0000031334
 Unscaled step for mode  106=        0.0000024581
 Unscaled step for mode  107=        0.0000023835
 Unscaled step for mode  108=       -0.0000006945
 Unscaled step for mode  109=        0.0000054292
 Unscaled step for mode  110=        0.0011788718
 Unscaled step for mode  111=        0.0000065168
 Unscaled step for mode  112=        0.0024468836
 Unscaled step for mode  113=        0.0068552067
 Unscaled step for mode  114=       -0.2286831729
 Largest modulus ratio of non-zero e/values=           210.4928082    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.194397E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.166436E-14    0.100678E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.210877E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.166317E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.967011E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.220283E-15    0.974112E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.856370E-05    0.741848E+03  0.115437E-07 0.100000E-04    0.997268E+00
   8   -0.808842E-05    0.674514E+03  0.119915E-07 0.100000E-04    0.986299E+00
   9   -0.394536E-05    0.628786E+03  0.627456E-08 0.100000E-04    0.970147E+00
  10    0.316208E-05    0.602355E+03 -0.524953E-08 0.100000E-04    0.977253E+00
  11   -0.225596E-05    0.587058E+03  0.384283E-08 0.100000E-04    0.998660E+00
  12   -0.956547E-05    0.576879E+03  0.165814E-07 0.100000E-04    0.979131E+00
  13   -0.347318E-05    0.566804E+03  0.612766E-08 0.100000E-04    0.984521E+00
  14    0.510146E-05    0.486352E+03 -0.104892E-07 0.100000E-04    0.974013E+00
  15    0.222317E-05    0.462046E+03 -0.481158E-08 0.100000E-04    0.987069E+00
  16    0.709076E-05    0.460477E+03 -0.153987E-07 0.100000E-04    0.989042E+00
  17    0.309088E-05    0.441740E+03 -0.699705E-08 0.100000E-04    0.959321E+00
  18    0.371921E-05    0.428870E+03 -0.867211E-08 0.100000E-04    0.991157E+00
  19   -0.203327E-04    0.422100E+03  0.481704E-07 0.100000E-04    0.998064E+00
  20    0.305667E-05    0.408561E+03 -0.748156E-08 0.100000E-04    0.972771E+00
  21    0.356130E-05    0.396747E+03 -0.897624E-08 0.100000E-04    0.972351E+00
  22   -0.130614E-04    0.388301E+03  0.336372E-07 0.100000E-04    0.997134E+00
  23    0.319797E-05    0.369201E+03 -0.866187E-08 0.100000E-04    0.947067E+00
  24   -0.763066E-05    0.360732E+03  0.211533E-07 0.100000E-04    0.992958E+00
  25   -0.243943E-04    0.349840E+03  0.697299E-07 0.100000E-04    0.999212E+00
  26   -0.362608E-04    0.334981E+03  0.108247E-06 0.100000E-04    0.996939E+00
  27   -0.171102E-04    0.328040E+03  0.521591E-07 0.100000E-04    0.997703E+00
  28    0.105768E-04    0.321773E+03 -0.328704E-07 0.100000E-04    0.990975E+00
  29    0.325780E-04    0.319357E+03 -0.102011E-06 0.100000E-04    0.998260E+00
  30   -0.241487E-04    0.310338E+03  0.778141E-07 0.100000E-04    0.991382E+00
  31   -0.254688E-04    0.301879E+03  0.843676E-07 0.100000E-04    0.990342E+00
  32   -0.132128E-04    0.289924E+03  0.455733E-07 0.100000E-04    0.990658E+00
  33    0.153539E-04    0.278340E+03 -0.551624E-07 0.100000E-04    0.990920E+00
  34   -0.197042E-04    0.271892E+03  0.724708E-07 0.100000E-04    0.998014E+00
  35    0.263026E-04    0.267912E+03 -0.981761E-07 0.100000E-04    0.993773E+00
  36    0.268747E-04    0.264750E+03 -0.101510E-06 0.100000E-04    0.992211E+00
  37    0.204900E-04    0.262168E+03 -0.781560E-07 0.100000E-04    0.996051E+00
  38    0.614649E-05    0.253674E+03 -0.242299E-07 0.100000E-04    0.993087E+00
  39   -0.218752E-04    0.241663E+03  0.905195E-07 0.100000E-04    0.997115E+00
  40   -0.336391E-04    0.239926E+03  0.140206E-06 0.100000E-04    0.994047E+00
  41   -0.497952E-04    0.233809E+03  0.212974E-06 0.100000E-04    0.998293E+00
  42   -0.235874E-04    0.227697E+03  0.103591E-06 0.100000E-04    0.987996E+00
  43   -0.203404E-04    0.217561E+03  0.934927E-07 0.100000E-04    0.995928E+00
  44   -0.453686E-04    0.214675E+03  0.211336E-06 0.100000E-04    0.991814E+00
  45    0.817189E-05    0.213142E+03 -0.383402E-07 0.100000E-04    0.992270E+00
  46    0.369620E-04    0.207270E+03 -0.178327E-06 0.100000E-04    0.996538E+00
  47   -0.265327E-04    0.203379E+03  0.130459E-06 0.100000E-04    0.998226E+00
  48    0.583076E-05    0.196315E+03 -0.297010E-07 0.100000E-04    0.969041E+00
  49    0.326170E-04    0.194813E+03 -0.167427E-06 0.100000E-04    0.993410E+00
  50   -0.468380E-05    0.191315E+03  0.244822E-07 0.100000E-04    0.892714E+00
  51   -0.182465E-04    0.183076E+03  0.996663E-07 0.100000E-04    0.998839E+00
  52   -0.844567E-05    0.174080E+03  0.485160E-07 0.100000E-04    0.998420E+00
  53   -0.150140E-04    0.172329E+03  0.871240E-07 0.100000E-04    0.996237E+00
  54    0.253776E-04    0.167877E+03 -0.151168E-06 0.100000E-04    0.994140E+00
  55    0.246625E-04    0.163890E+03 -0.150482E-06 0.100000E-04    0.996178E+00
  56   -0.879178E-05    0.157533E+03  0.558093E-07 0.100000E-04    0.999947E+00
  57    0.164489E-04    0.154580E+03 -0.106410E-06 0.100000E-04    0.999406E+00
  58   -0.281379E-04    0.152067E+03  0.185035E-06 0.100000E-04    0.997351E+00
  59   -0.829115E-05    0.147415E+03  0.562437E-07 0.100000E-04    0.998672E+00
  60    0.248882E-04    0.143507E+03 -0.173428E-06 0.100000E-04    0.999496E+00
  61   -0.350405E-04    0.137628E+03  0.254602E-06 0.100000E-04    0.988986E+00
  62   -0.227208E-04    0.135924E+03  0.167158E-06 0.100000E-04    0.998768E+00
  63    0.126368E-04    0.130484E+03 -0.968459E-07 0.100000E-04    0.953540E+00
  64    0.430762E-04    0.128605E+03 -0.334950E-06 0.100000E-04    0.999701E+00
  65   -0.218672E-04    0.126620E+03  0.172699E-06 0.100000E-04    0.983867E+00
  66   -0.805269E-05    0.124882E+03  0.644823E-07 0.100000E-04    0.968048E+00
  67    0.194423E-04    0.119929E+03 -0.162114E-06 0.100000E-04    0.981867E+00
  68    0.784535E-05    0.118150E+03 -0.664015E-07 0.100000E-04    0.992887E+00
  69   -0.887043E-05    0.117106E+03  0.757471E-07 0.100000E-04    0.991966E+00
  70    0.346432E-04    0.110421E+03 -0.313738E-06 0.100000E-04    0.988988E+00
  71   -0.724495E-05    0.107131E+03  0.676268E-07 0.100000E-04    0.997555E+00
  72    0.845118E-04    0.104442E+03 -0.809176E-06 0.100000E-04    0.998552E+00
  73   -0.275569E-04    0.102970E+03  0.267620E-06 0.100000E-04    0.995222E+00
  74   -0.200094E-04    0.996554E+02  0.200785E-06 0.100000E-04    0.987925E+00
  75    0.809576E-04    0.959236E+02 -0.843980E-06 0.100000E-04    0.997362E+00
  76    0.147443E-04    0.941171E+02 -0.156659E-06 0.100000E-04    0.959357E+00
  77    0.490104E-04    0.929706E+02 -0.527160E-06 0.100000E-04    0.995657E+00
  78    0.169547E-04    0.909687E+02 -0.186379E-06 0.100000E-04    0.980555E+00
  79   -0.575022E-05    0.889508E+02  0.646449E-07 0.100000E-04    0.984570E+00
  80   -0.194009E-04    0.853646E+02  0.227271E-06 0.100000E-04    0.996037E+00
  81   -0.308543E-04    0.808540E+02  0.381605E-06 0.100000E-04    0.995090E+00
  82   -0.212732E-04    0.801117E+02  0.265545E-06 0.100000E-04    0.981346E+00
  83    0.127513E-04    0.781272E+02 -0.163211E-06 0.100000E-04    0.980411E+00
  84   -0.593249E-04    0.731904E+02  0.810556E-06 0.100000E-04    0.991831E+00
  85   -0.161048E-04    0.727213E+02  0.221460E-06 0.100000E-04    0.951111E+00
  86   -0.214896E-04    0.681555E+02  0.315303E-06 0.100000E-04    0.996363E+00
  87   -0.469524E-04    0.652469E+02  0.719611E-06 0.100000E-04    0.994705E+00
  88   -0.207380E-04    0.621814E+02  0.333508E-06 0.100000E-04    0.998903E+00
  89    0.122372E-04    0.599738E+02 -0.204042E-06 0.100000E-04    0.945498E+00
  90   -0.459302E-04    0.593844E+02  0.773439E-06 0.100000E-04    0.996786E+00
  91   -0.555828E-04    0.586251E+02  0.948106E-06 0.100000E-04    0.991122E+00
  92   -0.613305E-04    0.560154E+02  0.109489E-05 0.100000E-04    0.990766E+00
  93   -0.250008E-04    0.525456E+02  0.475793E-06 0.100000E-04    0.971127E+00
  94    0.555719E-04    0.522696E+02 -0.106318E-05 0.100000E-04    0.994434E+00
  95   -0.381374E-05    0.500196E+02  0.762448E-07 0.100000E-04    0.817727E+00
  96    0.120901E-04    0.467565E+02 -0.258575E-06 0.100000E-04    0.991982E+00
  97   -0.352377E-04    0.430140E+02  0.819213E-06 0.100000E-04    0.968567E+00
  98    0.571916E-04    0.407402E+02 -0.140381E-05 0.100000E-04    0.995852E+00
  99    0.110905E-03    0.378599E+02 -0.292934E-05 0.100000E-04    0.990225E+00
 100   -0.751114E-04    0.364370E+02  0.206141E-05 0.100000E-04    0.999104E+00
 101    0.129304E-04    0.330308E+02 -0.391466E-06 0.100000E-04    0.860969E+00
 102   -0.112322E-03    0.287885E+02  0.390162E-05 0.100000E-04    0.995857E+00
 103    0.518803E-04    0.284908E+02 -0.182095E-05 0.100000E-04    0.995331E+00
 104   -0.149183E-03    0.265269E+02  0.562386E-05 0.100000E-04    0.993681E+00
 105   -0.728132E-04    0.232378E+02  0.313340E-05 0.100000E-04    0.995255E+00
 106   -0.519252E-04    0.211245E+02  0.245805E-05 0.100000E-04    0.985444E+00
 107   -0.483368E-04    0.202795E+02  0.238353E-05 0.100000E-04    0.878653E+00
 108    0.115716E-04    0.166610E+02 -0.694532E-06 0.100000E-04    0.536929E+00
 109   -0.752430E-04    0.138590E+02  0.542920E-05 0.100000E-04    0.998555E+00
 110   -0.144282E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.663271E+00
 111   -0.655757E-04    0.100625E+02  0.651685E-05 0.100000E-04    0.997540E+00
 112   -0.208134E-01    0.850602E+01  0.238449E-04 0.238449E-04    0.277342E-01
 113   -0.418030E-01    0.609771E+01  0.593454E-04 0.593454E-04    0.238092E+00
 114   -0.850431E+00    0.352434E+01 -0.400000E-03 0.400000E-03    0.320803E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2286831729    

 Beginning of optimization cycle  459.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3175923005
 potential> RMS force:                                               0.0799109589   |gradient|=.8532155618    
 Eigenvalues of the Hessian matrix:
   741.91852    674.51935    628.80534    602.33416    587.04962    576.91842 
   566.79452    486.37897    462.02291    460.46995    441.74356    428.86668 
   422.09986    408.56076    396.74264    388.29267    369.21423    360.72530 
   349.83144    334.98074    328.05910    321.77770    319.34303    310.32591 
   301.85886    289.93563    278.33974    271.90524    267.92001    264.75122 
   262.19411    253.66820    241.65821    239.93908    233.80432    227.68941 
   217.54347    214.68041    213.14723    207.27397    203.37472    196.30312 
   194.80974    191.31325    183.06787    174.07730    172.32907    167.88120 
   163.87998    157.52052    154.58394    152.07270    147.40385    143.50837 
   137.63371    135.92302    130.48263    128.60847    126.62475    124.87426 
   119.93049    118.15046    117.10513    110.41764    107.12724    104.44008 
   102.96785     99.65436     95.92779     94.12122     92.95260     90.97181 
    88.94369     85.36747     80.85321     80.11472     78.12543     73.19471 
    72.72350     68.15400     65.23965     62.16842     59.97380     59.38441 
    58.61713     56.01447     52.54495     52.26797     50.02015     46.74870 
    43.01711     40.74321     37.86207     36.43793     33.01807     28.78874 
    28.48962     26.52019     23.23948     21.12860     20.27136     16.65866 
    13.85958     12.23901     10.06345      8.50645      6.08925      3.51847 
overlap for current and previous eigenvector    109 is         0.9999997998
overlap for current and previous eigenvector    110 is         0.9999997555
overlap for current and previous eigenvector    111 is         0.9999997580
overlap for current and previous eigenvector    112 is         0.9999996801
overlap for current and previous eigenvector    113 is         0.9999992688
overlap for current and previous eigenvector    114 is         0.9999994849
J1,K1,R1,R2,RAT=   7   7   -0.4709906782E-02     2.004518826        0.9952900932    
FOB,PFOB,DIAG,PSTEP=   -0.8604037598E-05   -0.8563699517E-05     741.9185155        0.1154374449E-07
J1,K1,R1,R2,RAT=   8   8    0.9651814660E-02     1.990332920        0.9903329195    
FOB,PFOB,DIAG,PSTEP=   -0.8010347053E-05   -0.8088415537E-05     674.5193536        0.1199146805E-07
J1,K1,R1,R2,RAT=   9   9    0.2105990718E-01     1.978879221        0.9788792208    
FOB,PFOB,DIAG,PSTEP=   -0.3862263795E-05   -0.3945355137E-05     628.8053351        0.6274557485E-08
J1,K1,R1,R2,RAT=  10  10   -0.3754890726E-01     2.037618954        0.9624510927    
FOB,PFOB,DIAG,PSTEP=    0.3280808132E-05    0.3162079655E-05     602.3341612       -0.5249526120E-08
J1,K1,R1,R2,RAT=  11  11   -0.2342392613E-01     2.023452197        0.9765760739    
FOB,PFOB,DIAG,PSTEP=   -0.2308807637E-05   -0.2255964830E-05     587.0496161        0.3842831814E-08
J1,K1,R1,R2,RAT= 109 109    0.8546411236E-02     1.991362328        0.9913623278    
FOB,PFOB,DIAG,PSTEP=   -0.7459995029E-04   -0.7524303758E-04     13.85958402        0.5429201267E-05
J1,K1,R1,R2,RAT= 110 110   -0.3776422771         236.1522311        0.6223577229    
FOB,PFOB,DIAG,PSTEP=   -0.1447446043E-01   -0.1442824075E-01     12.23901254        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.9971826097E-03     2.000803604        0.9990028174    
FOB,PFOB,DIAG,PSTEP=   -0.6564104792E-04   -0.6557565069E-04     10.06345239        0.6516848872E-05
J1,K1,R1,R2,RAT= 112 112   -0.7609794388         205.9852016        0.2390205612    
FOB,PFOB,DIAG,PSTEP=   -0.2096771875E-01   -0.2081336521E-01     8.506449401        0.2384489196E-04
J1,K1,R1,R2,RAT= 113 113   -0.8452881679         232.2045705        0.1547118321    
FOB,PFOB,DIAG,PSTEP=   -0.4210849350E-01   -0.4180303258E-01     6.089251906        0.5934538001E-04
J1,K1,R1,R2,RAT= 114 114    0.9692120186        -1209.491343        0.3078798139E-01
FOB,PFOB,DIAG,PSTEP=   -0.8517947902       -0.8504307313         3.518473969       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002     -0.00001     -0.00002      0.00003 
     0.00002     -0.00001      0.00002     -0.00003     -0.00001      0.00002 
    -0.00004     -0.00002      0.00001      0.00004     -0.00002     -0.00001 
     0.00002      0.00001     -0.00001     -0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008     -0.00001      0.00005      0.00002 
    -0.00001     -0.00002      0.00003      0.00002     -0.00001      0.00006 
     0.00002      0.00002     -0.00005     -0.00002      0.00001     -0.00005 
    -0.00006     -0.00006     -0.00003      0.00006     -0.00000      0.00001 
    -0.00004      0.00006      0.00011     -0.00008      0.00001     -0.00011 
     0.00005     -0.00015     -0.00007     -0.00005     -0.00004      0.00001 
    -0.00007     -0.01447     -0.00007     -0.02097     -0.04211     -0.85179 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3984372195
 Log product of positive Hessian eigenvalues =          519.2719316393
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5184739686
 Unscaled step for mode    7=        0.0000000116
 Unscaled step for mode    8=        0.0000000119
 Unscaled step for mode    9=        0.0000000061
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000039
 Unscaled step for mode   12=        0.0000000163
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000104
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000156
 Unscaled step for mode   17=       -0.0000000073
 Unscaled step for mode   18=       -0.0000000088
 Unscaled step for mode   19=        0.0000000484
 Unscaled step for mode   20=       -0.0000000076
 Unscaled step for mode   21=       -0.0000000091
 Unscaled step for mode   22=        0.0000000337
 Unscaled step for mode   23=       -0.0000000081
 Unscaled step for mode   24=        0.0000000211
 Unscaled step for mode   25=        0.0000000700
 Unscaled step for mode   26=        0.0000001085
 Unscaled step for mode   27=        0.0000000523
 Unscaled step for mode   28=       -0.0000000330
 Unscaled step for mode   29=       -0.0000001029
 Unscaled step for mode   30=        0.0000000770
 Unscaled step for mode   31=        0.0000000839
 Unscaled step for mode   32=        0.0000000455
 Unscaled step for mode   33=       -0.0000000557
 Unscaled step for mode   34=        0.0000000731
 Unscaled step for mode   35=       -0.0000000976
 Unscaled step for mode   36=       -0.0000001013
 Unscaled step for mode   37=       -0.0000000783
 Unscaled step for mode   38=       -0.0000000243
 Unscaled step for mode   39=        0.0000000908
 Unscaled step for mode   40=        0.0000001406
 Unscaled step for mode   41=        0.0000002127
 Unscaled step for mode   42=        0.0000001030
 Unscaled step for mode   43=        0.0000000925
 Unscaled step for mode   44=        0.0000002108
 Unscaled step for mode   45=       -0.0000000396
 Unscaled step for mode   46=       -0.0000001782
 Unscaled step for mode   47=        0.0000001295
 Unscaled step for mode   48=       -0.0000000306
 Unscaled step for mode   49=       -0.0000001665
 Unscaled step for mode   50=        0.0000000274
 Unscaled step for mode   51=        0.0000000995
 Unscaled step for mode   52=        0.0000000490
 Unscaled step for mode   53=        0.0000000877
 Unscaled step for mode   54=       -0.0000001511
 Unscaled step for mode   55=       -0.0000001506
 Unscaled step for mode   56=        0.0000000558
 Unscaled step for mode   57=       -0.0000001076
 Unscaled step for mode   58=        0.0000001849
 Unscaled step for mode   59=        0.0000000568
 Unscaled step for mode   60=       -0.0000001737
 Unscaled step for mode   61=        0.0000002584
 Unscaled step for mode   62=        0.0000001664
 Unscaled step for mode   63=       -0.0000000997
 Unscaled step for mode   64=       -0.0000003367
 Unscaled step for mode   65=        0.0000001758
 Unscaled step for mode   66=        0.0000000650
 Unscaled step for mode   67=       -0.0000001607
 Unscaled step for mode   68=       -0.0000000668
 Unscaled step for mode   69=        0.0000000775
 Unscaled step for mode   70=        0.0000003106
 Unscaled step for mode   71=       -0.0000000666
 Unscaled step for mode   72=       -0.0000008136
 Unscaled step for mode   73=        0.0000002680
 Unscaled step for mode   74=        0.0000002020
 Unscaled step for mode   75=       -0.0000008446
 Unscaled step for mode   76=        0.0000001544
 Unscaled step for mode   77=       -0.0000005323
 Unscaled step for mode   78=       -0.0000001859
 Unscaled step for mode   79=        0.0000000649
 Unscaled step for mode   80=        0.0000002253
 Unscaled step for mode   81=       -0.0000003816
 Unscaled step for mode   82=       -0.0000002628
 Unscaled step for mode   83=        0.0000001594
 Unscaled step for mode   84=       -0.0000008205
 Unscaled step for mode   85=       -0.0000002263
 Unscaled step for mode   86=       -0.0000003204
 Unscaled step for mode   87=        0.0000007268
 Unscaled step for mode   88=        0.0000003360
 Unscaled step for mode   89=       -0.0000001973
 Unscaled step for mode   90=        0.0000007699
 Unscaled step for mode   91=        0.0000009645
 Unscaled step for mode   92=        0.0000010842
 Unscaled step for mode   93=        0.0000004809
 Unscaled step for mode   94=       -0.0000010673
 Unscaled step for mode   95=        0.0000000877
 Unscaled step for mode   96=       -0.0000002707
 Unscaled step for mode   97=        0.0000008484
 Unscaled step for mode   98=       -0.0000014190
 Unscaled step for mode   99=       -0.0000029552
 Unscaled step for mode  100=        0.0000020620
 Unscaled step for mode  101=       -0.0000004378
 Unscaled step for mode  102=        0.0000039315
 Unscaled step for mode  103=       -0.0000018143
 Unscaled step for mode  104=        0.0000056751
 Unscaled step for mode  105=        0.0000031676
 Unscaled step for mode  106=        0.0000024991
 Unscaled step for mode  107=        0.0000021413
 Unscaled step for mode  108=       -0.0000004876
 Unscaled step for mode  109=        0.0000053826
 Unscaled step for mode  110=        0.0011826477
 Unscaled step for mode  111=        0.0000065227
 Unscaled step for mode  112=        0.0024649052
 Unscaled step for mode  113=        0.0069148856
 Unscaled step for mode  114=       -0.2293569497
 Largest modulus ratio of non-zero e/values=           210.8637216    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.891431E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.202518E-14    0.100678E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.365498E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.656716E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.241560E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.556331E-15    0.974114E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.860404E-05    0.741919E+03  0.115970E-07 0.100000E-04    0.995290E+00
   8   -0.801035E-05    0.674519E+03  0.118756E-07 0.100000E-04    0.990333E+00
   9   -0.386226E-05    0.628805E+03  0.614222E-08 0.100000E-04    0.978879E+00
  10    0.328081E-05    0.602334E+03 -0.544682E-08 0.100000E-04    0.962451E+00
  11   -0.230881E-05    0.587050E+03  0.393290E-08 0.100000E-04    0.976576E+00
  12   -0.940953E-05    0.576918E+03  0.163100E-07 0.100000E-04    0.983561E+00
  13   -0.343063E-05    0.566795E+03  0.605268E-08 0.100000E-04    0.987747E+00
  14    0.505017E-05    0.486379E+03 -0.103832E-07 0.100000E-04    0.989837E+00
  15    0.225680E-05    0.462023E+03 -0.488462E-08 0.100000E-04    0.984870E+00
  16    0.717073E-05    0.460470E+03 -0.155726E-07 0.100000E-04    0.988721E+00
  17    0.322834E-05    0.441744E+03 -0.730817E-08 0.100000E-04    0.955528E+00
  18    0.377367E-05    0.428867E+03 -0.879918E-08 0.100000E-04    0.985356E+00
  19   -0.204454E-04    0.422100E+03  0.484375E-07 0.100000E-04    0.994457E+00
  20    0.311517E-05    0.408561E+03 -0.762475E-08 0.100000E-04    0.980861E+00
  21    0.362559E-05    0.396743E+03 -0.913839E-08 0.100000E-04    0.981948E+00
  22   -0.130780E-04    0.388293E+03  0.336809E-07 0.100000E-04    0.998724E+00
  23    0.300643E-05    0.369214E+03 -0.814278E-08 0.100000E-04    0.940035E+00
  24   -0.762672E-05    0.360725E+03  0.211427E-07 0.100000E-04    0.999483E+00
  25   -0.244727E-04    0.349831E+03  0.699558E-07 0.100000E-04    0.996784E+00
  26   -0.363587E-04    0.334981E+03  0.108540E-06 0.100000E-04    0.997300E+00
  27   -0.171427E-04    0.328059E+03  0.522550E-07 0.100000E-04    0.998101E+00
  28    0.106278E-04    0.321778E+03 -0.330284E-07 0.100000E-04    0.995180E+00
  29    0.328513E-04    0.319343E+03 -0.102871E-06 0.100000E-04    0.991612E+00
  30   -0.239037E-04    0.310326E+03  0.770278E-07 0.100000E-04    0.989856E+00
  31   -0.253347E-04    0.301859E+03  0.839290E-07 0.100000E-04    0.994736E+00
  32   -0.131953E-04    0.289936E+03  0.455110E-07 0.100000E-04    0.998593E+00
  33    0.155063E-04    0.278340E+03 -0.557101E-07 0.100000E-04    0.990072E+00
  34   -0.198697E-04    0.271905E+03  0.730757E-07 0.100000E-04    0.991605E+00
  35    0.261380E-04    0.267920E+03 -0.975589E-07 0.100000E-04    0.993683E+00
  36    0.268161E-04    0.264751E+03 -0.101288E-06 0.100000E-04    0.997811E+00
  37    0.205294E-04    0.262194E+03 -0.782984E-07 0.100000E-04    0.998079E+00
  38    0.617148E-05    0.253668E+03 -0.243289E-07 0.100000E-04    0.995936E+00
  39   -0.219506E-04    0.241658E+03  0.908331E-07 0.100000E-04    0.996556E+00
  40   -0.337453E-04    0.239939E+03  0.140641E-06 0.100000E-04    0.996843E+00
  41   -0.497390E-04    0.233804E+03  0.212738E-06 0.100000E-04    0.998871E+00
  42   -0.234430E-04    0.227689E+03  0.102960E-06 0.100000E-04    0.993878E+00
  43   -0.201151E-04    0.217543E+03  0.924648E-07 0.100000E-04    0.988923E+00
  44   -0.452504E-04    0.214680E+03  0.210780E-06 0.100000E-04    0.997342E+00
  45    0.844993E-05    0.213147E+03 -0.396436E-07 0.100000E-04    0.965978E+00
  46    0.369413E-04    0.207274E+03 -0.178224E-06 0.100000E-04    0.999406E+00
  47   -0.263406E-04    0.203375E+03  0.129518E-06 0.100000E-04    0.992761E+00
  48    0.601143E-05    0.196303E+03 -0.306232E-07 0.100000E-04    0.969012E+00
  49    0.324443E-04    0.194810E+03 -0.166544E-06 0.100000E-04    0.994706E+00
  50   -0.524126E-05    0.191313E+03  0.273962E-07 0.100000E-04    0.880981E+00
  51   -0.182135E-04    0.183068E+03  0.994905E-07 0.100000E-04    0.998192E+00
  52   -0.853387E-05    0.174077E+03  0.490235E-07 0.100000E-04    0.989557E+00
  53   -0.151094E-04    0.172329E+03  0.876774E-07 0.100000E-04    0.993646E+00
  54    0.253605E-04    0.167881E+03 -0.151062E-06 0.100000E-04    0.999275E+00
  55    0.246729E-04    0.163880E+03 -0.150555E-06 0.100000E-04    0.999578E+00
  56   -0.878396E-05    0.157521E+03  0.557639E-07 0.100000E-04    0.999111E+00
  57    0.166341E-04    0.154584E+03 -0.107605E-06 0.100000E-04    0.988743E+00
  58   -0.281230E-04    0.152073E+03  0.184931E-06 0.100000E-04    0.999403E+00
  59   -0.836809E-05    0.147404E+03  0.567698E-07 0.100000E-04    0.990719E+00
  60    0.249343E-04    0.143508E+03 -0.173748E-06 0.100000E-04    0.998147E+00
  61   -0.355584E-04    0.137634E+03  0.258355E-06 0.100000E-04    0.985220E+00
  62   -0.226205E-04    0.135923E+03  0.166421E-06 0.100000E-04    0.995586E+00
  63    0.130053E-04    0.130483E+03 -0.996710E-07 0.100000E-04    0.970839E+00
  64    0.432963E-04    0.128608E+03 -0.336652E-06 0.100000E-04    0.994891E+00
  65   -0.222593E-04    0.126625E+03  0.175789E-06 0.100000E-04    0.982072E+00
  66   -0.811477E-05    0.124874E+03  0.649835E-07 0.100000E-04    0.992291E+00
  67    0.192710E-04    0.119930E+03 -0.160685E-06 0.100000E-04    0.991173E+00
  68    0.789367E-05    0.118150E+03 -0.668103E-07 0.100000E-04    0.993841E+00
  69   -0.907732E-05    0.117105E+03  0.775143E-07 0.100000E-04    0.976677E+00
  70   -0.342964E-04    0.110418E+03  0.310606E-06 0.100000E-04    0.989990E+00
  71    0.713598E-05    0.107127E+03 -0.666122E-07 0.100000E-04    0.984960E+00
  72    0.849756E-04    0.104440E+03 -0.813630E-06 0.100000E-04    0.994512E+00
  73   -0.275917E-04    0.102968E+03  0.267964E-06 0.100000E-04    0.998736E+00
  74   -0.201326E-04    0.996544E+02  0.202024E-06 0.100000E-04    0.993840E+00
  75    0.810232E-04    0.959278E+02 -0.844627E-06 0.100000E-04    0.999190E+00
  76   -0.145322E-04    0.941212E+02  0.154399E-06 0.100000E-04    0.985530E+00
  77    0.494828E-04    0.929526E+02 -0.532345E-06 0.100000E-04    0.990358E+00
  78    0.169089E-04    0.909718E+02 -0.185870E-06 0.100000E-04    0.997234E+00
  79   -0.577288E-05    0.889437E+02  0.649049E-07 0.100000E-04    0.996059E+00
  80   -0.192304E-04    0.853675E+02  0.225267E-06 0.100000E-04    0.991145E+00
  81    0.308514E-04    0.808532E+02 -0.381573E-06 0.100000E-04    0.999908E+00
  82    0.210565E-04    0.801147E+02 -0.262829E-06 0.100000E-04    0.989736E+00
  83   -0.124524E-04    0.781254E+02  0.159390E-06 0.100000E-04    0.976565E+00
  84    0.600584E-04    0.731947E+02 -0.820530E-06 0.100000E-04    0.987636E+00
  85    0.164554E-04    0.727235E+02 -0.226273E-06 0.100000E-04    0.978235E+00
  86    0.218333E-04    0.681540E+02 -0.320353E-06 0.100000E-04    0.984007E+00
  87   -0.474148E-04    0.652396E+02  0.726779E-06 0.100000E-04    0.990151E+00
  88   -0.208901E-04    0.621684E+02  0.336025E-06 0.100000E-04    0.992663E+00
  89    0.118317E-04    0.599738E+02 -0.197281E-06 0.100000E-04    0.966866E+00
  90   -0.457214E-04    0.593844E+02  0.769922E-06 0.100000E-04    0.995453E+00
  91   -0.565371E-04    0.586171E+02  0.964514E-06 0.100000E-04    0.982830E+00
  92   -0.607320E-04    0.560145E+02  0.108422E-05 0.100000E-04    0.990241E+00
  93   -0.252706E-04    0.525450E+02  0.480933E-06 0.100000E-04    0.989208E+00
  94    0.557857E-04    0.522680E+02 -0.106730E-05 0.100000E-04    0.996153E+00
  95   -0.438796E-05    0.500201E+02  0.877239E-07 0.100000E-04    0.849434E+00
  96    0.126552E-04    0.467487E+02 -0.270707E-06 0.100000E-04    0.953248E+00
  97   -0.364964E-04    0.430171E+02  0.848417E-06 0.100000E-04    0.964280E+00
  98    0.578148E-04    0.407432E+02 -0.141900E-05 0.100000E-04    0.989105E+00
  99    0.111891E-03    0.378621E+02 -0.295523E-05 0.100000E-04    0.991105E+00
 100   -0.751342E-04    0.364379E+02  0.206198E-05 0.100000E-04    0.999696E+00
 101    0.144556E-04    0.330181E+02 -0.437809E-06 0.100000E-04    0.882001E+00
 102   -0.113184E-03    0.287887E+02  0.393153E-05 0.100000E-04    0.992327E+00
 103    0.516894E-04    0.284896E+02 -0.181433E-05 0.100000E-04    0.996321E+00
 104   -0.150505E-03    0.265202E+02  0.567511E-05 0.100000E-04    0.991139E+00
 105   -0.736142E-04    0.232395E+02  0.316764E-05 0.100000E-04    0.989000E+00
 106   -0.528018E-04    0.211286E+02  0.249907E-05 0.100000E-04    0.983121E+00
 107   -0.434073E-04    0.202714E+02  0.214131E-05 0.100000E-04    0.897976E+00
 108    0.812208E-05    0.166587E+02 -0.487559E-06 0.100000E-04    0.701858E+00
 109   -0.746000E-04    0.138596E+02  0.538255E-05 0.100000E-04    0.991362E+00
 110   -0.144745E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.622358E+00
 111   -0.656410E-04    0.100635E+02  0.652272E-05 0.100000E-04    0.999003E+00
 112   -0.209677E-01    0.850645E+01  0.214819E-04 0.214819E-04    0.239021E+00
 113   -0.421085E-01    0.608925E+01  0.646865E-04 0.646865E-04    0.154712E+00
 114   -0.851795E+00    0.351847E+01 -0.400000E-03 0.400000E-03    0.307880E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2293569497    

 Beginning of optimization cycle  460.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3172546070
 potential> RMS force:                                               0.0800400036   |gradient|=.8545933820    
 Eigenvalues of the Hessian matrix:
   741.98975    674.52389    628.82471    602.31329    587.04107    576.95840 
   566.78443    486.40528    461.99992    460.46236    441.74704    428.86339 
   422.09966    408.56062    396.73782    388.28454    369.22762    360.71889 
   349.82315    334.98096    328.07867    321.78210    319.32988    310.31358 
   301.83935    289.94719    278.33988    271.91841    267.92828    264.75233 
   262.22070    253.66200    241.65331    239.95218    233.79993    227.68174 
   217.52563    214.68609    213.15281    207.27767    203.37045    196.29104 
   194.80669    191.31191    183.05984    174.07478    172.32941    167.88543 
   163.86960    157.50840    154.58808    152.07795    147.39291    143.50916 
   137.63917    135.92225    130.48118    128.61203    126.62945    124.86621 
   119.93146    118.15072    117.10425    110.41442    107.12316    104.43827 
   102.96549     99.65324     95.93199     94.12522     92.93462     90.97504 
    88.93649     85.37043     80.85242     80.11787     78.12360     73.19895 
    72.72555     68.15229     65.23231     62.15530     59.97372     59.38433 
    58.60895     56.01340     52.54425     52.26625     50.02073     46.74072 
    43.02029     40.74616     37.86409     36.43855     33.00522     28.78899 
    28.48846     26.51353     23.24125     21.13256     20.26322     16.65629 
    13.86021     12.23901     10.06443      8.50703      6.08079      3.51261 
overlap for current and previous eigenvector    109 is        -0.9999997902
overlap for current and previous eigenvector    110 is         0.9999997516
overlap for current and previous eigenvector    111 is         0.9999997427
overlap for current and previous eigenvector    112 is        -0.9999996798
overlap for current and previous eigenvector    113 is        -0.9999992453
overlap for current and previous eigenvector    114 is        -0.9999994518
J1,K1,R1,R2,RAT=   7   7   -0.3480724703E-02     2.003288727        0.9965192753    
FOB,PFOB,DIAG,PSTEP=   -0.8633988759E-05   -0.8604037598E-05     741.9897456        0.1159701156E-07
J1,K1,R1,R2,RAT=   8   8   -0.1373782122E-01     2.013724378        0.9862621788    
FOB,PFOB,DIAG,PSTEP=   -0.8120392509E-05   -0.8010347053E-05     674.5238874        0.1187563709E-07
J1,K1,R1,R2,RAT=   9   9   -0.2997947318E-01     2.029917847        0.9700205268    
FOB,PFOB,DIAG,PSTEP=   -0.3978055997E-05   -0.3862263795E-05     628.8247112        0.6142224914E-08
J1,K1,R1,R2,RAT=  10  10    0.2502234212E-01     1.975046972        0.9749776579    
FOB,PFOB,DIAG,PSTEP=    0.3198717474E-05    0.3280808132E-05     602.3132867       -0.5446823945E-08
J1,K1,R1,R2,RAT=  11  11   -0.1738368272E-02     2.001767483        0.9982616317    
FOB,PFOB,DIAG,PSTEP=   -0.2312821136E-05   -0.2308807637E-05     587.0410705        0.3932900344E-08
J1,K1,R1,R2,RAT= 109 109     2.000308404       -0.3988842252E-03    0.9996011158    
FOB,PFOB,DIAG,PSTEP=    0.7462970838E-04   -0.7459995029E-04     13.86021106        0.5382553344E-05
J1,K1,R1,R2,RAT= 110 110   -0.3422615906         236.8722072        0.6577384094    
FOB,PFOB,DIAG,PSTEP=   -0.1451634986E-01   -0.1447446043E-01     12.23900880        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.4465685651E-02     1.995339315        0.9953393146    
FOB,PFOB,DIAG,PSTEP=   -0.6534788705E-04   -0.6564104792E-04     10.06443367        0.6522716598E-05
J1,K1,R1,R2,RAT= 112 112     230.4615569       -0.9888770017        0.1112299831E-01
FOB,PFOB,DIAG,PSTEP=    0.2114843303E-01   -0.2096771875E-01     8.507026986        0.2148188465E-04
J1,K1,R1,R2,RAT= 113 113     214.8884823       -0.7835832574        0.2164167426    
FOB,PFOB,DIAG,PSTEP=    0.4241671167E-01   -0.4210849350E-01     6.080785472        0.6468646421E-04
J1,K1,R1,R2,RAT= 114 114    -1213.448245        0.9677091286        0.3229087139E-01
FOB,PFOB,DIAG,PSTEP=    0.8531544650       -0.8517947902         3.512612225       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00002      0.00003 
     0.00002     -0.00001     -0.00002     -0.00003     -0.00001     -0.00002 
    -0.00004     -0.00002     -0.00001      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001     -0.00003      0.00001      0.00008 
    -0.00003     -0.00002      0.00008     -0.00001     -0.00005     -0.00002 
    -0.00001     -0.00002      0.00003      0.00002     -0.00001      0.00006 
     0.00002      0.00002     -0.00005      0.00002      0.00001     -0.00005 
    -0.00006     -0.00006      0.00003     -0.00006     -0.00000     -0.00001 
    -0.00004     -0.00006     -0.00011     -0.00008      0.00001      0.00011 
     0.00005     -0.00015      0.00007     -0.00005      0.00005      0.00001 
     0.00007     -0.01452     -0.00007      0.02115      0.04242      0.85315 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3981719723
 Log product of positive Hessian eigenvalues =          519.2674140203
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5126122249
 Unscaled step for mode    7=        0.0000000116
 Unscaled step for mode    8=        0.0000000120
 Unscaled step for mode    9=        0.0000000063
 Unscaled step for mode   10=       -0.0000000053
 Unscaled step for mode   11=        0.0000000039
 Unscaled step for mode   12=        0.0000000167
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000106
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000070
 Unscaled step for mode   18=       -0.0000000087
 Unscaled step for mode   19=        0.0000000483
 Unscaled step for mode   20=       -0.0000000074
 Unscaled step for mode   21=       -0.0000000089
 Unscaled step for mode   22=        0.0000000338
 Unscaled step for mode   23=       -0.0000000086
 Unscaled step for mode   24=        0.0000000213
 Unscaled step for mode   25=        0.0000000700
 Unscaled step for mode   26=        0.0000001083
 Unscaled step for mode   27=        0.0000000522
 Unscaled step for mode   28=       -0.0000000328
 Unscaled step for mode   29=       -0.0000001028
 Unscaled step for mode   30=        0.0000000775
 Unscaled step for mode   31=        0.0000000847
 Unscaled step for mode   32=        0.0000000458
 Unscaled step for mode   33=       -0.0000000553
 Unscaled step for mode   34=        0.0000000730
 Unscaled step for mode   35=       -0.0000000981
 Unscaled step for mode   36=       -0.0000001019
 Unscaled step for mode   37=       -0.0000000779
 Unscaled step for mode   38=       -0.0000000246
 Unscaled step for mode   39=        0.0000000906
 Unscaled step for mode   40=        0.0000001414
 Unscaled step for mode   41=        0.0000002131
 Unscaled step for mode   42=        0.0000001039
 Unscaled step for mode   43=        0.0000000927
 Unscaled step for mode   44=        0.0000002124
 Unscaled step for mode   45=       -0.0000000400
 Unscaled step for mode   46=       -0.0000001789
 Unscaled step for mode   47=        0.0000001297
 Unscaled step for mode   48=       -0.0000000298
 Unscaled step for mode   49=       -0.0000001676
 Unscaled step for mode   50=        0.0000000246
 Unscaled step for mode   51=        0.0000000996
 Unscaled step for mode   52=       -0.0000000492
 Unscaled step for mode   53=       -0.0000000874
 Unscaled step for mode   54=       -0.0000001518
 Unscaled step for mode   55=       -0.0000001509
 Unscaled step for mode   56=        0.0000000558
 Unscaled step for mode   57=        0.0000001074
 Unscaled step for mode   58=        0.0000001852
 Unscaled step for mode   59=        0.0000000567
 Unscaled step for mode   60=        0.0000001737
 Unscaled step for mode   61=        0.0000002555
 Unscaled step for mode   62=        0.0000001662
 Unscaled step for mode   63=        0.0000000954
 Unscaled step for mode   64=       -0.0000003367
 Unscaled step for mode   65=        0.0000001729
 Unscaled step for mode   66=       -0.0000000629
 Unscaled step for mode   67=        0.0000001633
 Unscaled step for mode   68=        0.0000000662
 Unscaled step for mode   69=       -0.0000000765
 Unscaled step for mode   70=        0.0000003139
 Unscaled step for mode   71=       -0.0000000668
 Unscaled step for mode   72=       -0.0000008127
 Unscaled step for mode   73=        0.0000002664
 Unscaled step for mode   74=        0.0000001991
 Unscaled step for mode   75=       -0.0000008420
 Unscaled step for mode   76=        0.0000001477
 Unscaled step for mode   77=        0.0000005340
 Unscaled step for mode   78=        0.0000001895
 Unscaled step for mode   79=        0.0000000637
 Unscaled step for mode   80=        0.0000002261
 Unscaled step for mode   81=       -0.0000003832
 Unscaled step for mode   82=       -0.0000002676
 Unscaled step for mode   83=        0.0000001626
 Unscaled step for mode   84=       -0.0000008136
 Unscaled step for mode   85=       -0.0000002150
 Unscaled step for mode   86=       -0.0000003191
 Unscaled step for mode   87=        0.0000007242
 Unscaled step for mode   88=       -0.0000003355
 Unscaled step for mode   89=       -0.0000002082
 Unscaled step for mode   90=        0.0000007683
 Unscaled step for mode   91=        0.0000009592
 Unscaled step for mode   92=        0.0000010927
 Unscaled step for mode   93=       -0.0000004919
 Unscaled step for mode   94=        0.0000010608
 Unscaled step for mode   95=        0.0000000707
 Unscaled step for mode   96=        0.0000002710
 Unscaled step for mode   97=        0.0000008222
 Unscaled step for mode   98=        0.0000014100
 Unscaled step for mode   99=        0.0000029262
 Unscaled step for mode  100=        0.0000020599
 Unscaled step for mode  101=       -0.0000003898
 Unscaled step for mode  102=       -0.0000039162
 Unscaled step for mode  103=       -0.0000018251
 Unscaled step for mode  104=        0.0000056525
 Unscaled step for mode  105=       -0.0000031625
 Unscaled step for mode  106=        0.0000024684
 Unscaled step for mode  107=       -0.0000023592
 Unscaled step for mode  108=       -0.0000006723
 Unscaled step for mode  109=       -0.0000053845
 Unscaled step for mode  110=        0.0011860707
 Unscaled step for mode  111=        0.0000064930
 Unscaled step for mode  112=       -0.0024859804
 Unscaled step for mode  113=       -0.0069751923
 Unscaled step for mode  114=        0.2300311855
 Largest modulus ratio of non-zero e/values=           211.2358832    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.890022E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.245084E-14    0.100678E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.516080E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.771139E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.118458E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.638378E-15    0.974116E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.863399E-05    0.741990E+03  0.116363E-07 0.100000E-04    0.996519E+00
   8   -0.812039E-05    0.674524E+03  0.120387E-07 0.100000E-04    0.986262E+00
   9   -0.397806E-05    0.628825E+03  0.632618E-08 0.100000E-04    0.970021E+00
  10    0.319872E-05    0.602313E+03 -0.531072E-08 0.100000E-04    0.974978E+00
  11   -0.231282E-05    0.587041E+03  0.393979E-08 0.100000E-04    0.998262E+00
  12   -0.961147E-05    0.576958E+03  0.166589E-07 0.100000E-04    0.978540E+00
  13   -0.347976E-05    0.566784E+03  0.613948E-08 0.100000E-04    0.985677E+00
  14    0.517794E-05    0.486405E+03 -0.106453E-07 0.100000E-04    0.974702E+00
  15    0.228245E-05    0.462000E+03 -0.494038E-08 0.100000E-04    0.988634E+00
  16    0.709588E-05    0.460462E+03 -0.154103E-07 0.100000E-04    0.989562E+00
  17    0.308579E-05    0.441747E+03 -0.698542E-08 0.100000E-04    0.955829E+00
  18    0.374235E-05    0.428863E+03 -0.872622E-08 0.100000E-04    0.991701E+00
  19   -0.204082E-04    0.422100E+03  0.483493E-07 0.100000E-04    0.998180E+00
  20    0.302830E-05    0.408561E+03 -0.741211E-08 0.100000E-04    0.972112E+00
  21    0.351959E-05    0.396738E+03 -0.887133E-08 0.100000E-04    0.970764E+00
  22   -0.131076E-04    0.388285E+03  0.337577E-07 0.100000E-04    0.997738E+00
  23    0.317252E-05    0.369228E+03 -0.859232E-08 0.100000E-04    0.944756E+00
  24   -0.769606E-05    0.360719E+03  0.213353E-07 0.100000E-04    0.990908E+00
  25   -0.244792E-04    0.349823E+03  0.699758E-07 0.100000E-04    0.999738E+00
  26   -0.362767E-04    0.334981E+03  0.108295E-06 0.100000E-04    0.997743E+00
  27   -0.171235E-04    0.328079E+03  0.521932E-07 0.100000E-04    0.998757E+00
  28    0.105489E-04    0.321782E+03 -0.327828E-07 0.100000E-04    0.992551E+00
  29    0.328398E-04    0.319330E+03 -0.102840E-06 0.100000E-04    0.999651E+00
  30   -0.240386E-04    0.310314E+03  0.774655E-07 0.100000E-04    0.994358E+00
  31   -0.255720E-04    0.301839E+03  0.847204E-07 0.100000E-04    0.990634E+00
  32   -0.132830E-04    0.289947E+03  0.458117E-07 0.100000E-04    0.993352E+00
  33    0.153794E-04    0.278340E+03 -0.552539E-07 0.100000E-04    0.991811E+00
  34   -0.198546E-04    0.271918E+03  0.730166E-07 0.100000E-04    0.999142E+00
  35    0.262780E-04    0.267928E+03 -0.980784E-07 0.100000E-04    0.994644E+00
  36    0.269839E-04    0.264752E+03 -0.101921E-06 0.100000E-04    0.993743E+00
  37    0.204401E-04    0.262221E+03 -0.779499E-07 0.100000E-04    0.995448E+00
  38    0.623218E-05    0.253662E+03 -0.245688E-07 0.100000E-04    0.990164E+00
  39   -0.218964E-04    0.241653E+03  0.906109E-07 0.100000E-04    0.997533E+00
  40   -0.339384E-04    0.239952E+03  0.141438E-06 0.100000E-04    0.994278E+00
  41   -0.498314E-04    0.233800E+03  0.213137E-06 0.100000E-04    0.998143E+00
  42   -0.236674E-04    0.227682E+03  0.103949E-06 0.100000E-04    0.990427E+00
  43   -0.201749E-04    0.217526E+03  0.927471E-07 0.100000E-04    0.997030E+00
  44   -0.456079E-04    0.214686E+03  0.212440E-06 0.100000E-04    0.992099E+00
  45    0.852123E-05    0.213153E+03 -0.399771E-07 0.100000E-04    0.991562E+00
  46    0.370751E-04    0.207278E+03 -0.178867E-06 0.100000E-04    0.996377E+00
  47   -0.263802E-04    0.203370E+03  0.129715E-06 0.100000E-04    0.998495E+00
  48    0.584710E-05    0.196291E+03 -0.297879E-07 0.100000E-04    0.972663E+00
  49    0.326572E-04    0.194807E+03 -0.167639E-06 0.100000E-04    0.993440E+00
  50   -0.470957E-05    0.191312E+03  0.246172E-07 0.100000E-04    0.898556E+00
  51   -0.182400E-04    0.183060E+03  0.996397E-07 0.100000E-04    0.998545E+00
  52    0.856601E-05    0.174075E+03 -0.492088E-07 0.100000E-04    0.996234E+00
  53    0.150556E-04    0.172329E+03 -0.873652E-07 0.100000E-04    0.996437E+00
  54    0.254916E-04    0.167885E+03 -0.151839E-06 0.100000E-04    0.994829E+00
  55    0.247225E-04    0.163870E+03 -0.150867E-06 0.100000E-04    0.997989E+00
  56   -0.878234E-05    0.157508E+03  0.557579E-07 0.100000E-04    0.999816E+00
  57   -0.165967E-04    0.154588E+03  0.107361E-06 0.100000E-04    0.997701E+00
  58   -0.281657E-04    0.152078E+03  0.185206E-06 0.100000E-04    0.998483E+00
  59   -0.835593E-05    0.147393E+03  0.566916E-07 0.100000E-04    0.998547E+00
  60   -0.249228E-04    0.143509E+03  0.173667E-06 0.100000E-04    0.999528E+00
  61   -0.351696E-04    0.137639E+03  0.255520E-06 0.100000E-04    0.988987E+00
  62   -0.225878E-04    0.135922E+03  0.166182E-06 0.100000E-04    0.998557E+00
  63   -0.124418E-04    0.130481E+03  0.953530E-07 0.100000E-04    0.956666E+00
  64    0.433042E-04    0.128612E+03 -0.336704E-06 0.100000E-04    0.999818E+00
  65   -0.218882E-04    0.126629E+03  0.172853E-06 0.100000E-04    0.983259E+00
  66    0.785625E-05    0.124866E+03 -0.629173E-07 0.100000E-04    0.968140E+00
  67   -0.195804E-04    0.119931E+03  0.163263E-06 0.100000E-04    0.983945E+00
  68   -0.782303E-05    0.118151E+03  0.662123E-07 0.100000E-04    0.991047E+00
  69    0.896424E-05    0.117104E+03 -0.765492E-07 0.100000E-04    0.987542E+00
  70   -0.346598E-04    0.110414E+03  0.313906E-06 0.100000E-04    0.989404E+00
  71    0.716000E-05    0.107123E+03 -0.668389E-07 0.100000E-04    0.996635E+00
  72    0.848773E-04    0.104438E+03 -0.812703E-06 0.100000E-04    0.998844E+00
  73   -0.274305E-04    0.102965E+03  0.266405E-06 0.100000E-04    0.994157E+00
  74   -0.198451E-04    0.996532E+02  0.199142E-06 0.100000E-04    0.985720E+00
  75    0.807742E-04    0.959320E+02 -0.841994E-06 0.100000E-04    0.996839E+00
  76   -0.139062E-04    0.941252E+02  0.147741E-06 0.100000E-04    0.956837E+00
  77   -0.496278E-04    0.929346E+02  0.534008E-06 0.100000E-04    0.997069E+00
  78   -0.172371E-04    0.909750E+02  0.189470E-06 0.100000E-04    0.980594E+00
  79   -0.566610E-05    0.889365E+02  0.637095E-07 0.100000E-04    0.981503E+00
  80   -0.193022E-04    0.853704E+02  0.226100E-06 0.100000E-04    0.996267E+00
  81    0.309829E-04    0.808524E+02 -0.383204E-06 0.100000E-04    0.995737E+00
  82    0.214359E-04    0.801179E+02 -0.267554E-06 0.100000E-04    0.981982E+00
  83   -0.126996E-04    0.781236E+02  0.162557E-06 0.100000E-04    0.980154E+00
  84    0.595543E-04    0.731989E+02 -0.813595E-06 0.100000E-04    0.991491E+00
  85    0.156350E-04    0.727256E+02 -0.214987E-06 0.100000E-04    0.950092E+00
  86    0.217501E-04    0.681523E+02 -0.319139E-06 0.100000E-04    0.996187E+00
  87   -0.472402E-04    0.652323E+02  0.724183E-06 0.100000E-04    0.996316E+00
  88    0.208549E-04    0.621553E+02 -0.335529E-06 0.100000E-04    0.998313E+00
  89    0.124861E-04    0.599737E+02 -0.208193E-06 0.100000E-04    0.944689E+00
  90   -0.456268E-04    0.593843E+02  0.768331E-06 0.100000E-04    0.997932E+00
  91   -0.562173E-04    0.586089E+02  0.959193E-06 0.100000E-04    0.994343E+00
  92   -0.612072E-04    0.560134E+02  0.109272E-05 0.100000E-04    0.992175E+00
  93    0.258490E-04    0.525443E+02 -0.491948E-06 0.100000E-04    0.977111E+00
  94   -0.554465E-04    0.522663E+02  0.106085E-05 0.100000E-04    0.993920E+00
  95   -0.353806E-05    0.500207E+02  0.707319E-07 0.100000E-04    0.806290E+00
  96   -0.126660E-04    0.467407E+02  0.270984E-06 0.100000E-04    0.999148E+00
  97   -0.353717E-04    0.430203E+02  0.822210E-06 0.100000E-04    0.969038E+00
  98   -0.574525E-04    0.407462E+02  0.141001E-05 0.100000E-04    0.993588E+00
  99   -0.110800E-03    0.378641E+02  0.292625E-05 0.100000E-04    0.990141E+00
 100   -0.750584E-04    0.364386E+02  0.205986E-05 0.100000E-04    0.998957E+00
 101    0.128657E-04    0.330052E+02 -0.389809E-06 0.100000E-04    0.889972E+00
 102    0.112744E-03    0.287890E+02 -0.391623E-05 0.100000E-04    0.996102E+00
 103    0.519941E-04    0.284885E+02 -0.182509E-05 0.100000E-04    0.994106E+00
 104   -0.149868E-03    0.265135E+02  0.565250E-05 0.100000E-04    0.995765E+00
 105    0.735006E-04    0.232413E+02 -0.316251E-05 0.100000E-04    0.998304E+00
 106   -0.521628E-04    0.211326E+02  0.246836E-05 0.100000E-04    0.987526E+00
 107    0.478058E-04    0.202632E+02 -0.235924E-05 0.100000E-04    0.898628E+00
 108    0.111975E-04    0.166563E+02 -0.672267E-06 0.100000E-04    0.621300E+00
 109    0.746297E-04    0.138602E+02 -0.538446E-05 0.100000E-04    0.999601E+00
 110   -0.145163E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.657738E+00
 111   -0.653479E-04    0.100644E+02  0.649295E-05 0.100000E-04    0.995339E+00
 112    0.211484E-01    0.850703E+01 -0.234153E-04 0.234153E-04    0.111230E-01
 113    0.424167E-01    0.608079E+01 -0.582761E-04 0.582761E-04    0.216417E+00
 114    0.853154E+00    0.351261E+01  0.400000E-03 0.400000E-03    0.322909E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2300311855    

 Beginning of optimization cycle  461.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3169161654
 potential> RMS force:                                               0.0801689579   |gradient|=.8559702366    
 Eigenvalues of the Hessian matrix:
   742.06062    674.52905    628.84380    602.29212    587.03291    576.99785 
   566.77493    486.43188    461.97711    460.45478    441.75071    428.85960 
   422.09938    408.56063    396.73310    388.27637    369.24102    360.71239 
   349.81461    334.98107    328.09805    321.78670    319.31625    310.30138 
   301.81965    289.95870    278.33976    271.93145    267.93635    264.75333 
   262.24677    253.65563    241.64821    239.96502    233.79538    227.67380 
   217.50783    214.69162    213.15831    207.28129    203.36624    196.27899 
   194.80344    191.31056    183.05163    174.07226    172.32965    167.88951 
   163.85932    157.49635    154.59211    152.08323    147.38216    143.51009 
   137.64450    135.92145    130.47991    128.61548    126.63418    124.85838 
   119.93244    118.15103    117.10349    110.41121    107.11921    104.43657 
   102.96315     99.65217     95.93633     94.12918     92.91665     90.97816 
    88.92938     85.37329     80.85162     80.12085     78.12183     73.20334 
    72.72779     68.15078     65.22518     62.14219     59.97360     59.38439 
    58.60088     56.01246     52.54364     52.26466     50.02126     46.73288 
    43.02339     40.74916     37.86621     36.43949     32.99247     28.78924 
    28.48729     26.50686     23.24296     21.13665     20.25499     16.65394 
    13.86084     12.23901     10.06540      8.50743      6.07230      3.50675 
overlap for current and previous eigenvector    109 is         0.9999997999
overlap for current and previous eigenvector    110 is         0.9999997575
overlap for current and previous eigenvector    111 is         0.9999997594
overlap for current and previous eigenvector    112 is         0.9999996861
overlap for current and previous eigenvector    113 is        -0.9999992773
overlap for current and previous eigenvector    114 is        -0.9999994948
J1,K1,R1,R2,RAT=   7   7   -0.4750220744E-02     2.004559194        0.9952497793    
FOB,PFOB,DIAG,PSTEP=   -0.8675006030E-05   -0.8633988759E-05     742.0606222        0.1163626426E-07
J1,K1,R1,R2,RAT=   8   8    0.9426561144E-02     1.990558146        0.9905581460    
FOB,PFOB,DIAG,PSTEP=   -0.8043844547E-05   -0.8120392509E-05     674.5290452        0.1203870265E-07
J1,K1,R1,R2,RAT=   9   9    0.2051709290E-01     1.979422206        0.9794222056    
FOB,PFOB,DIAG,PSTEP=   -0.3896435375E-05   -0.3978055997E-05     628.8437971        0.6326176320E-08
J1,K1,R1,R2,RAT=  10  10   -0.3661745881E-01     2.036687760        0.9633825412    
FOB,PFOB,DIAG,PSTEP=    0.3315842262E-05    0.3198717474E-05     602.2921159       -0.5310720425E-08
J1,K1,R1,R2,RAT=  11  11   -0.2278980236E-01     2.022817593        0.9772101976    
FOB,PFOB,DIAG,PSTEP=   -0.2365529141E-05   -0.2312821136E-05     587.0329135        0.3939794425E-08
J1,K1,R1,R2,RAT= 109 109    0.8058484416E-02     1.991850853        0.9918508528    
FOB,PFOB,DIAG,PSTEP=    0.7402827878E-04    0.7462970838E-04     13.86083939       -0.5384456851E-05
J1,K1,R1,R2,RAT= 110 110   -0.3824788689         237.5968294        0.6175211311    
FOB,PFOB,DIAG,PSTEP=   -0.1456316150E-01   -0.1451634986E-01     12.23901490        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.4213718818E-03     2.000229184        0.9995786281    
FOB,PFOB,DIAG,PSTEP=   -0.6537542546E-04   -0.6534788705E-04     10.06540089        0.6492952231E-05
J1,K1,R1,R2,RAT= 112 112   -0.7770109085         213.1067733        0.2229890915    
FOB,PFOB,DIAG,PSTEP=    0.2130321645E-01    0.2114843303E-01     8.507431049       -0.2341525427E-04
J1,K1,R1,R2,RAT= 113 113     240.5973427       -0.8669530977        0.1330469023    
FOB,PFOB,DIAG,PSTEP=   -0.4272350047E-01    0.4241671167E-01     6.072303462       -0.5827609388E-04
J1,K1,R1,R2,RAT= 114 114    -1217.413627        0.9690213045        0.3097869545E-01
FOB,PFOB,DIAG,PSTEP=   -0.8545137128        0.8531544650         3.506754277        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00001     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002      0.00001     -0.00002      0.00003      0.00001      0.00002 
    -0.00004     -0.00002      0.00001     -0.00004      0.00002     -0.00001 
     0.00002     -0.00001      0.00001      0.00003      0.00001      0.00009 
     0.00003     -0.00002      0.00008     -0.00001     -0.00005      0.00002 
    -0.00001      0.00002     -0.00003     -0.00002     -0.00001      0.00006 
     0.00002     -0.00002     -0.00005      0.00002      0.00001     -0.00005 
    -0.00006     -0.00006      0.00003     -0.00006      0.00000      0.00001 
     0.00004     -0.00006     -0.00011      0.00008     -0.00001     -0.00011 
     0.00005     -0.00015     -0.00007     -0.00005     -0.00004     -0.00001 
     0.00007     -0.01456     -0.00007      0.02130     -0.04272     -0.85451 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3978965401
 Log product of positive Hessian eigenvalues =          519.2628960250
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5067542772
 Unscaled step for mode    7=        0.0000000117
 Unscaled step for mode    8=        0.0000000119
 Unscaled step for mode    9=        0.0000000062
 Unscaled step for mode   10=       -0.0000000055
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000164
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000105
 Unscaled step for mode   15=       -0.0000000050
 Unscaled step for mode   16=       -0.0000000156
 Unscaled step for mode   17=       -0.0000000073
 Unscaled step for mode   18=       -0.0000000088
 Unscaled step for mode   19=        0.0000000486
 Unscaled step for mode   20=       -0.0000000076
 Unscaled step for mode   21=       -0.0000000090
 Unscaled step for mode   22=        0.0000000338
 Unscaled step for mode   23=       -0.0000000081
 Unscaled step for mode   24=        0.0000000213
 Unscaled step for mode   25=        0.0000000702
 Unscaled step for mode   26=        0.0000001086
 Unscaled step for mode   27=        0.0000000523
 Unscaled step for mode   28=       -0.0000000329
 Unscaled step for mode   29=       -0.0000001037
 Unscaled step for mode   30=        0.0000000767
 Unscaled step for mode   31=        0.0000000843
 Unscaled step for mode   32=        0.0000000457
 Unscaled step for mode   33=       -0.0000000558
 Unscaled step for mode   34=        0.0000000736
 Unscaled step for mode   35=       -0.0000000975
 Unscaled step for mode   36=       -0.0000001017
 Unscaled step for mode   37=       -0.0000000781
 Unscaled step for mode   38=       -0.0000000247
 Unscaled step for mode   39=        0.0000000909
 Unscaled step for mode   40=        0.0000001419
 Unscaled step for mode   41=        0.0000002129
 Unscaled step for mode   42=        0.0000001033
 Unscaled step for mode   43=        0.0000000917
 Unscaled step for mode   44=        0.0000002119
 Unscaled step for mode   45=       -0.0000000413
 Unscaled step for mode   46=       -0.0000001788
 Unscaled step for mode   47=        0.0000001288
 Unscaled step for mode   48=       -0.0000000307
 Unscaled step for mode   49=       -0.0000001668
 Unscaled step for mode   50=        0.0000000275
 Unscaled step for mode   51=        0.0000000995
 Unscaled step for mode   52=       -0.0000000497
 Unscaled step for mode   53=       -0.0000000879
 Unscaled step for mode   54=        0.0000001517
 Unscaled step for mode   55=        0.0000001509
 Unscaled step for mode   56=       -0.0000000557
 Unscaled step for mode   57=        0.0000001085
 Unscaled step for mode   58=       -0.0000001851
 Unscaled step for mode   59=       -0.0000000572
 Unscaled step for mode   60=       -0.0000001740
 Unscaled step for mode   61=        0.0000002592
 Unscaled step for mode   62=        0.0000001655
 Unscaled step for mode   63=       -0.0000000982
 Unscaled step for mode   64=        0.0000003384
 Unscaled step for mode   65=       -0.0000001759
 Unscaled step for mode   66=        0.0000000634
 Unscaled step for mode   67=       -0.0000001618
 Unscaled step for mode   68=        0.0000000666
 Unscaled step for mode   69=       -0.0000000783
 Unscaled step for mode   70=       -0.0000003108
 Unscaled step for mode   71=       -0.0000000658
 Unscaled step for mode   72=       -0.0000008172
 Unscaled step for mode   73=       -0.0000002667
 Unscaled step for mode   74=        0.0000002003
 Unscaled step for mode   75=       -0.0000008426
 Unscaled step for mode   76=        0.0000001455
 Unscaled step for mode   77=        0.0000005391
 Unscaled step for mode   78=       -0.0000001890
 Unscaled step for mode   79=        0.0000000639
 Unscaled step for mode   80=       -0.0000002241
 Unscaled step for mode   81=        0.0000003832
 Unscaled step for mode   82=        0.0000002648
 Unscaled step for mode   83=        0.0000001587
 Unscaled step for mode   84=       -0.0000008235
 Unscaled step for mode   85=       -0.0000002196
 Unscaled step for mode   86=        0.0000003241
 Unscaled step for mode   87=        0.0000007315
 Unscaled step for mode   88=       -0.0000003380
 Unscaled step for mode   89=       -0.0000002018
 Unscaled step for mode   90=        0.0000007650
 Unscaled step for mode   91=        0.0000009756
 Unscaled step for mode   92=        0.0000010820
 Unscaled step for mode   93=       -0.0000004969
 Unscaled step for mode   94=        0.0000010648
 Unscaled step for mode   95=       -0.0000000820
 Unscaled step for mode   96=       -0.0000002835
 Unscaled step for mode   97=       -0.0000008509
 Unscaled step for mode   98=        0.0000014247
 Unscaled step for mode   99=        0.0000029518
 Unscaled step for mode  100=       -0.0000020606
 Unscaled step for mode  101=        0.0000004373
 Unscaled step for mode  102=        0.0000039462
 Unscaled step for mode  103=       -0.0000018187
 Unscaled step for mode  104=        0.0000057052
 Unscaled step for mode  105=        0.0000031981
 Unscaled step for mode  106=        0.0000025075
 Unscaled step for mode  107=        0.0000021139
 Unscaled step for mode  108=        0.0000004632
 Unscaled step for mode  109=       -0.0000053408
 Unscaled step for mode  110=        0.0011898949
 Unscaled step for mode  111=        0.0000064951
 Unscaled step for mode  112=       -0.0025040559
 Unscaled step for mode  113=        0.0070354497
 Unscaled step for mode  114=       -0.2307067043
 Largest modulus ratio of non-zero e/values=           211.6089590    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.898261E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.142063E-14    0.100677E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.132770E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.188001E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.651822E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.208777E-15    0.974118E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.867501E-05    0.742061E+03  0.116904E-07 0.100000E-04    0.995250E+00
   8   -0.804384E-05    0.674529E+03  0.119251E-07 0.100000E-04    0.990558E+00
   9   -0.389644E-05    0.628844E+03  0.619619E-08 0.100000E-04    0.979422E+00
  10    0.331584E-05    0.602292E+03 -0.550537E-08 0.100000E-04    0.963383E+00
  11   -0.236553E-05    0.587033E+03  0.402964E-08 0.100000E-04    0.977210E+00
  12   -0.945835E-05    0.576998E+03  0.163923E-07 0.100000E-04    0.983933E+00
  13   -0.343823E-05    0.566775E+03  0.606630E-08 0.100000E-04    0.988064E+00
  14    0.512816E-05    0.486432E+03 -0.105424E-07 0.100000E-04    0.990278E+00
  15    0.231850E-05    0.461977E+03 -0.501864E-08 0.100000E-04    0.984207E+00
  16    0.717486E-05    0.460455E+03 -0.155821E-07 0.100000E-04    0.988870E+00
  17    0.322143E-05    0.441751E+03 -0.729242E-08 0.100000E-04    0.956043E+00
  18    0.379527E-05    0.428860E+03 -0.884967E-08 0.100000E-04    0.985862E+00
  19   -0.205209E-04    0.422099E+03  0.486163E-07 0.100000E-04    0.994480E+00
  20    0.308533E-05    0.408561E+03 -0.755171E-08 0.100000E-04    0.981166E+00
  21    0.358169E-05    0.396733E+03 -0.902796E-08 0.100000E-04    0.982355E+00
  22   -0.131238E-04    0.388276E+03  0.338001E-07 0.100000E-04    0.998766E+00
  23    0.298375E-05    0.369241E+03 -0.808077E-08 0.100000E-04    0.940427E+00
  24   -0.769419E-05    0.360712E+03  0.213305E-07 0.100000E-04    0.999757E+00
  25   -0.245563E-04    0.349815E+03  0.701980E-07 0.100000E-04    0.996849E+00
  26   -0.363790E-04    0.334981E+03  0.108600E-06 0.100000E-04    0.997179E+00
  27   -0.171587E-04    0.328098E+03  0.522974E-07 0.100000E-04    0.997944E+00
  28    0.106014E-04    0.321787E+03 -0.329455E-07 0.100000E-04    0.995023E+00
  29    0.331154E-04    0.319316E+03 -0.103707E-06 0.100000E-04    0.991606E+00
  30   -0.237886E-04    0.310301E+03  0.766629E-07 0.100000E-04    0.989601E+00
  31   -0.254373E-04    0.301820E+03  0.842797E-07 0.100000E-04    0.994732E+00
  32   -0.132635E-04    0.289959E+03  0.457429E-07 0.100000E-04    0.998458E+00
  33    0.155319E-04    0.278340E+03 -0.558020E-07 0.100000E-04    0.990080E+00
  34   -0.200227E-04    0.271931E+03  0.736316E-07 0.100000E-04    0.991530E+00
  35    0.261149E-04    0.267936E+03 -0.974667E-07 0.100000E-04    0.993733E+00
  36    0.269280E-04    0.264753E+03 -0.101710E-06 0.100000E-04    0.997920E+00
  37    0.204758E-04    0.262247E+03 -0.780782E-07 0.100000E-04    0.998255E+00
  38    0.625834E-05    0.253656E+03 -0.246726E-07 0.100000E-04    0.995802E+00
  39   -0.219712E-04    0.241648E+03  0.909221E-07 0.100000E-04    0.996586E+00
  40   -0.340458E-04    0.239965E+03  0.141878E-06 0.100000E-04    0.996835E+00
  41   -0.497790E-04    0.233795E+03  0.212917E-06 0.100000E-04    0.998948E+00
  42   -0.235207E-04    0.227674E+03  0.103309E-06 0.100000E-04    0.993800E+00
  43   -0.199464E-04    0.217508E+03  0.917043E-07 0.100000E-04    0.988675E+00
  44   -0.454923E-04    0.214692E+03  0.211896E-06 0.100000E-04    0.997414E+00
  45    0.879966E-05    0.213158E+03 -0.412823E-07 0.100000E-04    0.967326E+00
  46    0.370575E-04    0.207281E+03 -0.178779E-06 0.100000E-04    0.999489E+00
  47   -0.261908E-04    0.203366E+03  0.128786E-06 0.100000E-04    0.992819E+00
  48    0.602898E-05    0.196279E+03 -0.307164E-07 0.100000E-04    0.968893E+00
  49    0.324875E-04    0.194803E+03 -0.166770E-06 0.100000E-04    0.994803E+00
  50   -0.526298E-05    0.191311E+03  0.275102E-07 0.100000E-04    0.882490E+00
  51   -0.182101E-04    0.183052E+03  0.994807E-07 0.100000E-04    0.998360E+00
  52    0.865626E-05    0.174072E+03 -0.497280E-07 0.100000E-04    0.989464E+00
  53    0.151481E-04    0.172330E+03 -0.879017E-07 0.100000E-04    0.993857E+00
  54   -0.254760E-04    0.167890E+03  0.151742E-06 0.100000E-04    0.999338E+00
  55   -0.247297E-04    0.163859E+03  0.150920E-06 0.100000E-04    0.999708E+00
  56    0.877702E-05    0.157496E+03 -0.557284E-07 0.100000E-04    0.999394E+00
  57   -0.167784E-04    0.154592E+03  0.108533E-06 0.100000E-04    0.989055E+00
  58    0.281459E-04    0.152083E+03 -0.185069E-06 0.100000E-04    0.999227E+00
  59    0.843269E-05    0.147382E+03 -0.572165E-07 0.100000E-04    0.990814E+00
  60    0.249653E-04    0.143510E+03 -0.173962E-06 0.100000E-04    0.998295E+00
  61   -0.356824E-04    0.137645E+03  0.259236E-06 0.100000E-04    0.985420E+00
  62   -0.224892E-04    0.135921E+03  0.165457E-06 0.100000E-04    0.995633E+00
  63    0.128106E-04    0.130480E+03 -0.981809E-07 0.100000E-04    0.970353E+00
  64   -0.435272E-04    0.128615E+03  0.338429E-06 0.100000E-04    0.994850E+00
  65    0.222738E-04    0.126634E+03 -0.175891E-06 0.100000E-04    0.982385E+00
  66   -0.791866E-05    0.124858E+03  0.634211E-07 0.100000E-04    0.992055E+00
  67    0.194110E-04    0.119932E+03 -0.161849E-06 0.100000E-04    0.991332E+00
  68   -0.787000E-05    0.118151E+03  0.666096E-07 0.100000E-04    0.993997E+00
  69    0.916477E-05    0.117103E+03 -0.782621E-07 0.100000E-04    0.977629E+00
  70    0.343174E-04    0.110411E+03 -0.310815E-06 0.100000E-04    0.990121E+00
  71    0.705312E-05    0.107119E+03 -0.658436E-07 0.100000E-04    0.985072E+00
  72    0.853421E-04    0.104437E+03 -0.817167E-06 0.100000E-04    0.994524E+00
  73    0.274638E-04    0.102963E+03 -0.266735E-06 0.100000E-04    0.998784E+00
  74   -0.199601E-04    0.996522E+02  0.200298E-06 0.100000E-04    0.994204E+00
  75    0.808348E-04    0.959363E+02 -0.842588E-06 0.100000E-04    0.999250E+00
  76   -0.136950E-04    0.941292E+02  0.145491E-06 0.100000E-04    0.984728E+00
  77   -0.500884E-04    0.929166E+02  0.539068E-06 0.100000E-04    0.990718E+00
  78    0.171938E-04    0.909782E+02 -0.188988E-06 0.100000E-04    0.997419E+00
  79   -0.568576E-05    0.889294E+02  0.639357E-07 0.100000E-04    0.996530E+00
  80    0.191299E-04    0.853733E+02 -0.224074E-06 0.100000E-04    0.991006E+00
  81   -0.309790E-04    0.808516E+02  0.383158E-06 0.100000E-04    0.999872E+00
  82   -0.212185E-04    0.801209E+02  0.264831E-06 0.100000E-04    0.989785E+00
  83   -0.124001E-04    0.781218E+02  0.158728E-06 0.100000E-04    0.976422E+00
  84    0.602796E-04    0.732033E+02 -0.823454E-06 0.100000E-04    0.987823E+00
  85    0.159725E-04    0.727278E+02 -0.219621E-06 0.100000E-04    0.978413E+00
  86   -0.220880E-04    0.681508E+02  0.324106E-06 0.100000E-04    0.984460E+00
  87   -0.477148E-04    0.652252E+02  0.731540E-06 0.100000E-04    0.989950E+00
  88    0.210059E-04    0.621422E+02 -0.338030E-06 0.100000E-04    0.992759E+00
  89    0.121010E-04    0.599736E+02 -0.201773E-06 0.100000E-04    0.969159E+00
  90   -0.454280E-04    0.593844E+02  0.764983E-06 0.100000E-04    0.995642E+00
  91   -0.571714E-04    0.586009E+02  0.975607E-06 0.100000E-04    0.983026E+00
  92   -0.606041E-04    0.560125E+02  0.108198E-05 0.100000E-04    0.990146E+00
  93    0.261077E-04    0.525436E+02 -0.496876E-06 0.100000E-04    0.989994E+00
  94   -0.556529E-04    0.522647E+02  0.106483E-05 0.100000E-04    0.996278E+00
  95    0.410324E-05    0.500213E+02 -0.820300E-07 0.100000E-04    0.840257E+00
  96    0.132476E-04    0.467329E+02 -0.283475E-06 0.100000E-04    0.954071E+00
  97    0.366086E-04    0.430234E+02 -0.850900E-06 0.100000E-04    0.965034E+00
  98   -0.580538E-04    0.407492E+02  0.142466E-05 0.100000E-04    0.989533E+00
  99   -0.111772E-03    0.378662E+02  0.295177E-05 0.100000E-04    0.991223E+00
 100    0.750863E-04    0.364395E+02 -0.206058E-05 0.100000E-04    0.999629E+00
 101   -0.144261E-04    0.329925E+02  0.437255E-06 0.100000E-04    0.878669E+00
 102   -0.113607E-03    0.287892E+02  0.394618E-05 0.100000E-04    0.992345E+00
 103    0.518100E-04    0.284873E+02 -0.181870E-05 0.100000E-04    0.996459E+00
 104   -0.151227E-03    0.265069E+02  0.570520E-05 0.100000E-04    0.990930E+00
 105   -0.743328E-04    0.232430E+02  0.319808E-05 0.100000E-04    0.988678E+00
 106   -0.530003E-04    0.211366E+02  0.250751E-05 0.100000E-04    0.983948E+00
 107   -0.428175E-04    0.202550E+02  0.211392E-05 0.100000E-04    0.895612E+00
 108   -0.771463E-05    0.166539E+02  0.463232E-06 0.100000E-04    0.688918E+00
 109    0.740283E-04    0.138608E+02 -0.534082E-05 0.100000E-04    0.991851E+00
 110   -0.145632E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.617521E+00
 111   -0.653754E-04    0.100654E+02  0.649506E-05 0.100000E-04    0.999579E+00
 112    0.213032E-01    0.850743E+01 -0.210948E-04 0.210948E-04    0.222989E+00
 113   -0.427235E-01    0.607230E+01  0.635209E-04 0.635209E-04    0.133047E+00
 114   -0.854514E+00    0.350675E+01 -0.400000E-03 0.400000E-03    0.309787E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2307067043    

 Beginning of optimization cycle  462.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3165773757
 potential> RMS force:                                               0.0802975786   |gradient|=.8573435298    
 Eigenvalues of the Hessian matrix:
   742.13184    674.53360    628.86312    602.27116    587.02452    577.03758 
   566.76488    486.45822    461.95428    460.44712    441.75428    428.85627 
   422.09916    408.56048    396.72834    388.26823    369.25450    360.70601 
   349.80635    334.98147    328.11760    321.79114    319.30300    310.28928 
   301.80010    289.97031    278.33992    271.94466    267.94468    264.75437 
   262.27338    253.64932    241.64329    239.97805    233.79110    227.66608 
   217.49016    214.69716    213.16381    207.28504    203.36193    196.26688 
   194.80038    191.30919    183.04357    174.06993    172.32981    167.89375 
   163.84894    157.48423    154.59618    152.08848    147.37127    143.51087 
   137.64995    135.92063    130.47852    128.61897    126.63889    124.85035 
   119.93338    118.15128    117.10258    110.40803    107.11519    104.43478 
   102.96074     99.65104     95.94066     94.13299     92.89865     90.98134 
    88.92218     85.37621     80.85082     80.12398     78.11999     73.20761 
    72.72983     68.14908     65.21798     62.12899     59.97343     59.38439 
    58.59265     56.01138     52.54297     52.26295     50.02181     46.72491 
    43.02659     40.75213     37.86820     36.44010     32.97964     28.78948 
    28.48612     26.50021     23.24472     21.14064     20.24678     16.65152 
    13.86146     12.23901     10.06638      8.50798      6.06381      3.50090 
overlap for current and previous eigenvector    109 is         0.9999997904
overlap for current and previous eigenvector    110 is         0.9999997537
overlap for current and previous eigenvector    111 is         0.9999997444
overlap for current and previous eigenvector    112 is         0.9999996858
overlap for current and previous eigenvector    113 is         0.9999992544
overlap for current and previous eigenvector    114 is         0.9999994627
J1,K1,R1,R2,RAT=   7   7   -0.3453922377E-02     2.003261990        0.9965460776    
FOB,PFOB,DIAG,PSTEP=   -0.8704971703E-05   -0.8675006030E-05     742.1318417        0.1169042767E-07
J1,K1,R1,R2,RAT=   8   8   -0.1350187532E-01     2.013488373        0.9864981247    
FOB,PFOB,DIAG,PSTEP=   -0.8152452266E-05   -0.8043844547E-05     674.5335989        0.1192512703E-07
J1,K1,R1,R2,RAT=   9   9   -0.2949472694E-01     2.029433280        0.9705052731    
FOB,PFOB,DIAG,PSTEP=   -0.4011363204E-05   -0.3896435375E-05     628.8631180        0.6196189568E-08
J1,K1,R1,R2,RAT=  10  10    0.2427480676E-01     1.975794781        0.9757251932    
FOB,PFOB,DIAG,PSTEP=    0.3235353632E-05    0.3315842262E-05     602.2711606       -0.5505372185E-08
J1,K1,R1,R2,RAT=  11  11   -0.2307157724E-02     2.002335761        0.9976928423    
FOB,PFOB,DIAG,PSTEP=   -0.2370986711E-05   -0.2365529141E-05     587.0245182        0.4029636305E-08
J1,K1,R1,R2,RAT= 109 109   -0.3498336257E-03     2.000259960        0.9996501664    
FOB,PFOB,DIAG,PSTEP=    0.7405417752E-04    0.7402827878E-04     13.86146228       -0.5340822204E-05
J1,K1,R1,R2,RAT= 110 110   -0.3478153388         238.3271820        0.6521846612    
FOB,PFOB,DIAG,PSTEP=   -0.1460573066E-01   -0.1456316150E-01     12.23901190        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.4423338932E-02     1.995383110        0.9953831096    
FOB,PFOB,DIAG,PSTEP=   -0.6508621981E-04   -0.6537542546E-04     10.06637507        0.6495064246E-05
J1,K1,R1,R2,RAT= 112 112    -1.006400350         238.4020458        0.6400350326E-02
FOB,PFOB,DIAG,PSTEP=    0.2148383951E-01    0.2130321645E-01     8.507981322       -0.2109482367E-04
J1,K1,R1,R2,RAT= 113 113   -0.8041984493         222.6412026        0.1958015507    
FOB,PFOB,DIAG,PSTEP=   -0.4303326099E-01   -0.4272350047E-01     6.063814406        0.6352094233E-04
J1,K1,R1,R2,RAT= 114 114    0.9675171881        -1221.388221        0.3248281194E-01
FOB,PFOB,DIAG,PSTEP=   -0.8558685845       -0.8545137128         3.500898135       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002      0.00001      0.00002     -0.00003     -0.00001     -0.00002 
    -0.00004     -0.00002      0.00001      0.00004     -0.00002      0.00001 
     0.00002     -0.00001      0.00001      0.00003      0.00001      0.00009 
     0.00003     -0.00002      0.00008     -0.00001      0.00005     -0.00002 
    -0.00001      0.00002     -0.00003     -0.00002     -0.00001      0.00006 
    -0.00002     -0.00002      0.00005      0.00002      0.00001     -0.00005 
    -0.00006     -0.00006      0.00003     -0.00006      0.00000     -0.00001 
    -0.00004     -0.00006     -0.00011      0.00008      0.00001      0.00011 
    -0.00005     -0.00015     -0.00007     -0.00005     -0.00005     -0.00001 
     0.00007     -0.01461     -0.00007      0.02148     -0.04303     -0.85587 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3976301005
 Log product of positive Hessian eigenvalues =          519.2583537620
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.5008981346
 Unscaled step for mode    7=        0.0000000117
 Unscaled step for mode    8=        0.0000000121
 Unscaled step for mode    9=        0.0000000064
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000167
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000108
 Unscaled step for mode   15=       -0.0000000051
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000070
 Unscaled step for mode   18=       -0.0000000088
 Unscaled step for mode   19=        0.0000000485
 Unscaled step for mode   20=       -0.0000000073
 Unscaled step for mode   21=       -0.0000000088
 Unscaled step for mode   22=        0.0000000339
 Unscaled step for mode   23=       -0.0000000085
 Unscaled step for mode   24=        0.0000000215
 Unscaled step for mode   25=        0.0000000702
 Unscaled step for mode   26=        0.0000001084
 Unscaled step for mode   27=        0.0000000522
 Unscaled step for mode   28=       -0.0000000327
 Unscaled step for mode   29=       -0.0000001037
 Unscaled step for mode   30=        0.0000000771
 Unscaled step for mode   31=        0.0000000851
 Unscaled step for mode   32=        0.0000000460
 Unscaled step for mode   33=       -0.0000000554
 Unscaled step for mode   34=        0.0000000736
 Unscaled step for mode   35=       -0.0000000980
 Unscaled step for mode   36=       -0.0000001023
 Unscaled step for mode   37=       -0.0000000777
 Unscaled step for mode   38=       -0.0000000249
 Unscaled step for mode   39=        0.0000000907
 Unscaled step for mode   40=        0.0000001427
 Unscaled step for mode   41=        0.0000002133
 Unscaled step for mode   42=        0.0000001043
 Unscaled step for mode   43=        0.0000000919
 Unscaled step for mode   44=        0.0000002135
 Unscaled step for mode   45=       -0.0000000417
 Unscaled step for mode   46=       -0.0000001794
 Unscaled step for mode   47=        0.0000001290
 Unscaled step for mode   48=       -0.0000000299
 Unscaled step for mode   49=       -0.0000001678
 Unscaled step for mode   50=        0.0000000248
 Unscaled step for mode   51=        0.0000000996
 Unscaled step for mode   52=       -0.0000000499
 Unscaled step for mode   53=       -0.0000000876
 Unscaled step for mode   54=        0.0000001525
 Unscaled step for mode   55=        0.0000001512
 Unscaled step for mode   56=       -0.0000000557
 Unscaled step for mode   57=       -0.0000001083
 Unscaled step for mode   58=        0.0000001853
 Unscaled step for mode   59=        0.0000000571
 Unscaled step for mode   60=        0.0000001739
 Unscaled step for mode   61=        0.0000002564
 Unscaled step for mode   62=        0.0000001652
 Unscaled step for mode   63=       -0.0000000939
 Unscaled step for mode   64=       -0.0000003385
 Unscaled step for mode   65=        0.0000001730
 Unscaled step for mode   66=       -0.0000000614
 Unscaled step for mode   67=       -0.0000001644
 Unscaled step for mode   68=        0.0000000660
 Unscaled step for mode   69=       -0.0000000773
 Unscaled step for mode   70=       -0.0000003140
 Unscaled step for mode   71=       -0.0000000661
 Unscaled step for mode   72=       -0.0000008163
 Unscaled step for mode   73=       -0.0000002652
 Unscaled step for mode   74=        0.0000001975
 Unscaled step for mode   75=       -0.0000008399
 Unscaled step for mode   76=        0.0000001389
 Unscaled step for mode   77=       -0.0000005407
 Unscaled step for mode   78=        0.0000001925
 Unscaled step for mode   79=        0.0000000628
 Unscaled step for mode   80=       -0.0000002249
 Unscaled step for mode   81=        0.0000003848
 Unscaled step for mode   82=        0.0000002694
 Unscaled step for mode   83=        0.0000001618
 Unscaled step for mode   84=       -0.0000008166
 Unscaled step for mode   85=        0.0000002085
 Unscaled step for mode   86=        0.0000003229
 Unscaled step for mode   87=       -0.0000007290
 Unscaled step for mode   88=       -0.0000003375
 Unscaled step for mode   89=       -0.0000002126
 Unscaled step for mode   90=        0.0000007637
 Unscaled step for mode   91=        0.0000009704
 Unscaled step for mode   92=        0.0000010903
 Unscaled step for mode   93=       -0.0000005076
 Unscaled step for mode   94=        0.0000010585
 Unscaled step for mode   95=       -0.0000000652
 Unscaled step for mode   96=        0.0000002840
 Unscaled step for mode   97=        0.0000008251
 Unscaled step for mode   98=        0.0000014157
 Unscaled step for mode   99=        0.0000029233
 Unscaled step for mode  100=       -0.0000020586
 Unscaled step for mode  101=       -0.0000003901
 Unscaled step for mode  102=       -0.0000039314
 Unscaled step for mode  103=        0.0000018294
 Unscaled step for mode  104=        0.0000056835
 Unscaled step for mode  105=        0.0000031934
 Unscaled step for mode  106=        0.0000024786
 Unscaled step for mode  107=        0.0000023287
 Unscaled step for mode  108=        0.0000006460
 Unscaled step for mode  109=       -0.0000053425
 Unscaled step for mode  110=        0.0011933733
 Unscaled step for mode  111=        0.0000064657
 Unscaled step for mode  112=       -0.0025251234
 Unscaled step for mode  113=        0.0070963738
 Unscaled step for mode  114=       -0.2313826664
 Largest modulus ratio of non-zero e/values=           211.9832720    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.295337E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.176974E-14    0.100677E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.554335E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.178568E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.808815E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.355930E-15    0.974120E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.870497E-05    0.742132E+03  0.117297E-07 0.100000E-04    0.996546E+00
   8   -0.815245E-05    0.674534E+03  0.120861E-07 0.100000E-04    0.986498E+00
   9   -0.401136E-05    0.628863E+03  0.637875E-08 0.100000E-04    0.970505E+00
  10    0.323535E-05    0.602271E+03 -0.537192E-08 0.100000E-04    0.975725E+00
  11   -0.237099E-05    0.587025E+03  0.403899E-08 0.100000E-04    0.997693E+00
  12   -0.965754E-05    0.577038E+03  0.167364E-07 0.100000E-04    0.978941E+00
  13   -0.348652E-05    0.566765E+03  0.615161E-08 0.100000E-04    0.985955E+00
  14    0.525431E-05    0.486458E+03 -0.108011E-07 0.100000E-04    0.975403E+00
  15    0.234454E-05    0.461954E+03 -0.507527E-08 0.100000E-04    0.988766E+00
  16    0.710027E-05    0.460447E+03 -0.154204E-07 0.100000E-04    0.989604E+00
  17    0.308099E-05    0.441754E+03 -0.697444E-08 0.100000E-04    0.956387E+00
  18    0.376411E-05    0.428856E+03 -0.877708E-08 0.100000E-04    0.991790E+00
  19   -0.204845E-04    0.422099E+03  0.485302E-07 0.100000E-04    0.998229E+00
  20    0.300008E-05    0.408560E+03 -0.734304E-08 0.100000E-04    0.972367E+00
  21    0.347662E-05    0.396728E+03 -0.876323E-08 0.100000E-04    0.970665E+00
  22   -0.131530E-04    0.388268E+03  0.338761E-07 0.100000E-04    0.997774E+00
  23    0.314731E-05    0.369254E+03 -0.852341E-08 0.100000E-04    0.945187E+00
  24   -0.776303E-05    0.360706E+03  0.215218E-07 0.100000E-04    0.991053E+00
  25   -0.245625E-04    0.349806E+03  0.702174E-07 0.100000E-04    0.999748E+00
  26   -0.362981E-04    0.334981E+03  0.108359E-06 0.100000E-04    0.997774E+00
  27   -0.171396E-04    0.328118E+03  0.522363E-07 0.100000E-04    0.998771E+00
  28    0.105240E-04    0.321791E+03 -0.327044E-07 0.100000E-04    0.992669E+00
  29    0.331044E-04    0.319303E+03 -0.103677E-06 0.100000E-04    0.999666E+00
  30   -0.239192E-04    0.310289E+03  0.770867E-07 0.100000E-04    0.994512E+00
  31   -0.256705E-04    0.301800E+03  0.850581E-07 0.100000E-04    0.990829E+00
  32   -0.133508E-04    0.289970E+03  0.460419E-07 0.100000E-04    0.993423E+00
  33    0.154068E-04    0.278340E+03 -0.553525E-07 0.100000E-04    0.991945E+00
  34   -0.200086E-04    0.271945E+03  0.735761E-07 0.100000E-04    0.999198E+00
  35    0.262519E-04    0.267945E+03 -0.979750E-07 0.100000E-04    0.994754E+00
  36    0.270955E-04    0.264754E+03 -0.102342E-06 0.100000E-04    0.993779E+00
  37    0.203831E-04    0.262273E+03 -0.777169E-07 0.100000E-04    0.995271E+00
  38    0.631824E-05    0.253649E+03 -0.249093E-07 0.100000E-04    0.990429E+00
  39   -0.219157E-04    0.241643E+03  0.906944E-07 0.100000E-04    0.997475E+00
  40   -0.342383E-04    0.239978E+03  0.142673E-06 0.100000E-04    0.994347E+00
  41   -0.498678E-04    0.233791E+03  0.213301E-06 0.100000E-04    0.998215E+00
  42   -0.237410E-04    0.227666E+03  0.104280E-06 0.100000E-04    0.990631E+00
  43   -0.199954E-04    0.217490E+03  0.919369E-07 0.100000E-04    0.997545E+00
  44   -0.458454E-04    0.214697E+03  0.213535E-06 0.100000E-04    0.992238E+00
  45    0.888000E-05    0.213164E+03 -0.416581E-07 0.100000E-04    0.990871E+00
  46    0.371895E-04    0.207285E+03 -0.179412E-06 0.100000E-04    0.996437E+00
  47   -0.262277E-04    0.203362E+03  0.128970E-06 0.100000E-04    0.998593E+00
  48    0.586506E-05    0.196267E+03 -0.298831E-07 0.100000E-04    0.972809E+00
  49    0.326962E-04    0.194800E+03 -0.167844E-06 0.100000E-04    0.993576E+00
  50   -0.474026E-05    0.191309E+03  0.247780E-07 0.100000E-04    0.900679E+00
  51   -0.182338E-04    0.183044E+03  0.996146E-07 0.100000E-04    0.998698E+00
  52    0.868748E-05    0.174070E+03 -0.499080E-07 0.100000E-04    0.996393E+00
  53    0.150946E-04    0.172330E+03 -0.875915E-07 0.100000E-04    0.996470E+00
  54   -0.256050E-04    0.167894E+03  0.152507E-06 0.100000E-04    0.994936E+00
  55   -0.247780E-04    0.163849E+03  0.151225E-06 0.100000E-04    0.998046E+00
  56    0.877667E-05    0.157484E+03 -0.557305E-07 0.100000E-04    0.999960E+00
  57    0.167418E-04    0.154596E+03 -0.108294E-06 0.100000E-04    0.997765E+00
  58   -0.281869E-04    0.152088E+03  0.185332E-06 0.100000E-04    0.998542E+00
  59   -0.842187E-05    0.147371E+03  0.571473E-07 0.100000E-04    0.998717E+00
  60   -0.249516E-04    0.143511E+03  0.173866E-06 0.100000E-04    0.999441E+00
  61   -0.352980E-04    0.137650E+03  0.256433E-06 0.100000E-04    0.989148E+00
  62   -0.224584E-04    0.135921E+03  0.165232E-06 0.100000E-04    0.998633E+00
  63    0.122531E-04    0.130479E+03 -0.939088E-07 0.100000E-04    0.956477E+00
  64    0.435326E-04    0.128619E+03 -0.338461E-06 0.100000E-04    0.999877E+00
  65   -0.219066E-04    0.126639E+03  0.172985E-06 0.100000E-04    0.983440E+00
  66    0.766132E-05    0.124850E+03 -0.613640E-07 0.100000E-04    0.967499E+00
  67    0.197153E-04    0.119933E+03 -0.164385E-06 0.100000E-04    0.984321E+00
  68   -0.780083E-05    0.118151E+03  0.660241E-07 0.100000E-04    0.991208E+00
  69    0.905353E-05    0.117103E+03 -0.773129E-07 0.100000E-04    0.987863E+00
  70    0.346728E-04    0.110408E+03 -0.314042E-06 0.100000E-04    0.989644E+00
  71    0.707622E-05    0.107115E+03 -0.660617E-07 0.100000E-04    0.996725E+00
  72    0.852465E-04    0.104435E+03 -0.816265E-06 0.100000E-04    0.998880E+00
  73    0.273023E-04    0.102961E+03 -0.265172E-06 0.100000E-04    0.994117E+00
  74   -0.196768E-04    0.996510E+02  0.197457E-06 0.100000E-04    0.985802E+00
  75    0.805792E-04    0.959407E+02 -0.839886E-06 0.100000E-04    0.996748E+00
  76   -0.130768E-04    0.941330E+02  0.138919E-06 0.100000E-04    0.954786E+00
  77    0.502319E-04    0.928987E+02 -0.540717E-06 0.100000E-04    0.997135E+00
  78   -0.175162E-04    0.909813E+02  0.192525E-06 0.100000E-04    0.981247E+00
  79   -0.558081E-05    0.889222E+02  0.627606E-07 0.100000E-04    0.981540E+00
  80    0.191983E-04    0.853762E+02 -0.224867E-06 0.100000E-04    0.996426E+00
  81   -0.311107E-04    0.808508E+02  0.384791E-06 0.100000E-04    0.995748E+00
  82   -0.215893E-04    0.801240E+02  0.269449E-06 0.100000E-04    0.982525E+00
  83   -0.126421E-04    0.781200E+02  0.161829E-06 0.100000E-04    0.980488E+00
  84    0.597797E-04    0.732076E+02 -0.816578E-06 0.100000E-04    0.991591E+00
  85   -0.151621E-04    0.727298E+02  0.208471E-06 0.100000E-04    0.949204E+00
  86   -0.220052E-04    0.681491E+02  0.322898E-06 0.100000E-04    0.996251E+00
  87    0.475439E-04    0.652180E+02 -0.729000E-06 0.100000E-04    0.996417E+00
  88    0.209672E-04    0.621290E+02 -0.337479E-06 0.100000E-04    0.998158E+00
  89    0.127515E-04    0.599734E+02 -0.212619E-06 0.100000E-04    0.946246E+00
  90   -0.453516E-04    0.593844E+02  0.763695E-06 0.100000E-04    0.998316E+00
  91   -0.568555E-04    0.585927E+02  0.970351E-06 0.100000E-04    0.994473E+00
  92   -0.610713E-04    0.560114E+02  0.109034E-05 0.100000E-04    0.992290E+00
  93    0.266728E-04    0.525430E+02 -0.507639E-06 0.100000E-04    0.978351E+00
  94   -0.553201E-04    0.522630E+02  0.105849E-05 0.100000E-04    0.994019E+00
  95    0.326349E-05    0.500218E+02 -0.652414E-07 0.100000E-04    0.795325E+00
  96   -0.132695E-04    0.467249E+02  0.283992E-06 0.100000E-04    0.998347E+00
  97   -0.355012E-04    0.430266E+02  0.825099E-06 0.100000E-04    0.969604E+00
  98   -0.576918E-04    0.407521E+02  0.141568E-05 0.100000E-04    0.993618E+00
  99   -0.110702E-03    0.378682E+02  0.292334E-05 0.100000E-04    0.990316E+00
 100    0.750139E-04    0.364401E+02 -0.205855E-05 0.100000E-04    0.999002E+00
 101    0.128640E-04    0.329796E+02 -0.390057E-06 0.100000E-04    0.891670E+00
 102    0.113182E-03    0.287895E+02 -0.393137E-05 0.100000E-04    0.996238E+00
 103   -0.521112E-04    0.284861E+02  0.182936E-05 0.100000E-04    0.994185E+00
 104   -0.150613E-03    0.265002E+02  0.568347E-05 0.100000E-04    0.995942E+00
 105   -0.742302E-04    0.232447E+02  0.319342E-05 0.100000E-04    0.998468E+00
 106   -0.523996E-04    0.211406E+02  0.247862E-05 0.100000E-04    0.988292E+00
 107   -0.471492E-04    0.202468E+02  0.232873E-05 0.100000E-04    0.898791E+00
 108   -0.107566E-04    0.166515E+02  0.645985E-06 0.100000E-04    0.605628E+00
 109    0.740542E-04    0.138615E+02 -0.534245E-05 0.100000E-04    0.999650E+00
 110   -0.146057E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.652185E+00
 111   -0.650862E-04    0.100664E+02  0.646571E-05 0.100000E-04    0.995383E+00
 112    0.214838E-01    0.850798E+01 -0.229934E-04 0.229934E-04    0.640035E-02
 113   -0.430333E-01    0.606381E+01  0.692378E-04 0.692378E-04    0.195802E+00
 114   -0.855869E+00    0.350090E+01 -0.400000E-03 0.400000E-03    0.324828E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2313826664    

 Beginning of optimization cycle  463.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3162383526
 potential> RMS force:                                               0.0804257670   |gradient|=.8587122083    
 Eigenvalues of the Hessian matrix:
   742.20370    674.53780    628.88317    602.24970    587.01598    577.07736 
   566.75387    486.48435    461.93123    460.43929    441.75768    428.85333 
   422.09879    408.55985    396.72346    388.25970    369.26809    360.69972 
   349.79794    334.98211    328.13735    321.79549    319.28993    310.27702 
   301.78046    289.98186    278.34049    271.95792    267.95302    264.75545 
   262.30023    253.64283    241.63839    239.99122    233.78711    227.65845 
   217.47270    214.70274    213.16921    207.28893    203.35749    196.25461 
   194.79743    191.30797    183.03573    174.06783    172.32997    167.89803 
   163.83849    157.47212    154.60032    152.09364    147.36024    143.51155 
   137.65550    135.91982    130.47704    128.62249    126.64362    124.84207 
   119.93434    118.15155    117.10156    110.40493    107.11112    104.43307 
   102.95834     99.64988     95.94496     94.13666     92.88062     90.98456 
    88.91488     85.37920     80.85003     80.12726     78.11811     73.21184 
    72.73170     68.14733     65.21072     62.11566     59.97325     59.38442 
    58.58440     56.01026     52.54227     52.26114     50.02251     46.71684 
    43.02993     40.75511     37.87015     36.44062     32.96677     28.78979 
    28.48499     26.49365     23.24645     21.14465     20.23857     16.64907 
    13.86210     12.23901     10.06732      8.50892      6.05544      3.49503 
overlap for current and previous eigenvector    109 is         0.9999997839
overlap for current and previous eigenvector    110 is         0.9999997586
overlap for current and previous eigenvector    111 is         0.9999997343
overlap for current and previous eigenvector    112 is         0.9999997106
overlap for current and previous eigenvector    113 is         0.9999992205
overlap for current and previous eigenvector    114 is         0.9999994029
J1,K1,R1,R2,RAT=   7   7   -0.4403663978E-02     2.004210020        0.9955963360    
FOB,PFOB,DIAG,PSTEP=   -0.8743309185E-05   -0.8704971703E-05     742.2037035        0.1172968361E-07
J1,K1,R1,R2,RAT=   8   8   -0.1245679582E-01     2.012444352        0.9875432042    
FOB,PFOB,DIAG,PSTEP=   -0.8254006331E-05   -0.8152452266E-05     674.5377958        0.1208605810E-07
J1,K1,R1,R2,RAT=   9   9   -0.5485046293E-01     2.054786684        0.9451495371    
FOB,PFOB,DIAG,PSTEP=   -0.4231395349E-05   -0.4011363204E-05     628.8831729        0.6378754118E-08
J1,K1,R1,R2,RAT=  10  10    0.1481459053E-02     1.998589819        0.9985185409    
FOB,PFOB,DIAG,PSTEP=    0.3230560759E-05    0.3235353632E-05     602.2496968       -0.5371921892E-08
J1,K1,R1,R2,RAT=  11  11    0.2003806806E-01     1.979991008        0.9799619319    
FOB,PFOB,DIAG,PSTEP=   -0.2323477409E-05   -0.2370986711E-05     587.0159841        0.4038990941E-08
J1,K1,R1,R2,RAT= 109 109   -0.2168950730E-01     2.021597785        0.9783104927    
FOB,PFOB,DIAG,PSTEP=    0.7566044981E-04    0.7405417752E-04     13.86209801       -0.5342450603E-05
J1,K1,R1,R2,RAT= 110 110   -0.3188300066         238.9939099        0.6811699934    
FOB,PFOB,DIAG,PSTEP=   -0.1464475229E-01   -0.1460573066E-01     12.23900767        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1837083734E-01     2.018183236        0.9816291627    
FOB,PFOB,DIAG,PSTEP=   -0.6628202033E-04   -0.6508621981E-04     10.06731940        0.6465705810E-05
J1,K1,R1,R2,RAT= 112 112   -0.9218270110         220.5384467        0.7817298900E-01
FOB,PFOB,DIAG,PSTEP=    0.2166419365E-01    0.2148383951E-01     8.508917151       -0.2299335780E-04
J1,K1,R1,R2,RAT= 113 113   -0.7886956807         206.0679917        0.2113043193    
FOB,PFOB,DIAG,PSTEP=   -0.4336393386E-01   -0.4303326099E-01     6.055439554        0.6923782714E-04
J1,K1,R1,R2,RAT= 114 114    0.9650590408        -1225.372416        0.3494095921E-01
FOB,PFOB,DIAG,PSTEP=   -0.8572177494       -0.8558685845         3.495032022       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
    -0.00002      0.00001     -0.00002      0.00003     -0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004     -0.00002      0.00001 
     0.00002     -0.00001      0.00001      0.00003      0.00001     -0.00009 
    -0.00003      0.00002      0.00008     -0.00001      0.00005     -0.00002 
    -0.00001     -0.00002     -0.00003     -0.00002     -0.00001      0.00006 
    -0.00001     -0.00002      0.00005      0.00002      0.00001     -0.00005 
    -0.00006     -0.00006      0.00003     -0.00006      0.00000     -0.00001 
     0.00003      0.00006      0.00011      0.00007      0.00001     -0.00011 
     0.00005     -0.00015     -0.00007      0.00005      0.00005     -0.00002 
     0.00008     -0.01464     -0.00007      0.02166     -0.04336     -0.85722 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3973599471
 Log product of positive Hessian eigenvalues =          519.2538608196
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4950320223
 Unscaled step for mode    7=        0.0000000118
 Unscaled step for mode    8=        0.0000000122
 Unscaled step for mode    9=        0.0000000067
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000173
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000111
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000152
 Unscaled step for mode   17=       -0.0000000065
 Unscaled step for mode   18=       -0.0000000084
 Unscaled step for mode   19=        0.0000000484
 Unscaled step for mode   20=       -0.0000000069
 Unscaled step for mode   21=       -0.0000000084
 Unscaled step for mode   22=        0.0000000343
 Unscaled step for mode   23=       -0.0000000091
 Unscaled step for mode   24=        0.0000000219
 Unscaled step for mode   25=        0.0000000700
 Unscaled step for mode   26=        0.0000001080
 Unscaled step for mode   27=        0.0000000518
 Unscaled step for mode   28=       -0.0000000322
 Unscaled step for mode   29=       -0.0000001037
 Unscaled step for mode   30=        0.0000000777
 Unscaled step for mode   31=        0.0000000857
 Unscaled step for mode   32=        0.0000000470
 Unscaled step for mode   33=       -0.0000000552
 Unscaled step for mode   34=        0.0000000737
 Unscaled step for mode   35=       -0.0000000986
 Unscaled step for mode   36=       -0.0000001036
 Unscaled step for mode   37=       -0.0000000771
 Unscaled step for mode   38=       -0.0000000252
 Unscaled step for mode   39=        0.0000000903
 Unscaled step for mode   40=        0.0000001442
 Unscaled step for mode   41=        0.0000002138
 Unscaled step for mode   42=        0.0000001061
 Unscaled step for mode   43=        0.0000000919
 Unscaled step for mode   44=        0.0000002158
 Unscaled step for mode   45=       -0.0000000425
 Unscaled step for mode   46=       -0.0000001802
 Unscaled step for mode   47=        0.0000001293
 Unscaled step for mode   48=       -0.0000000286
 Unscaled step for mode   49=       -0.0000001685
 Unscaled step for mode   50=        0.0000000224
 Unscaled step for mode   51=        0.0000000990
 Unscaled step for mode   52=       -0.0000000494
 Unscaled step for mode   53=       -0.0000000870
 Unscaled step for mode   54=        0.0000001524
 Unscaled step for mode   55=        0.0000001522
 Unscaled step for mode   56=       -0.0000000578
 Unscaled step for mode   57=        0.0000001074
 Unscaled step for mode   58=       -0.0000001859
 Unscaled step for mode   59=        0.0000000583
 Unscaled step for mode   60=       -0.0000001728
 Unscaled step for mode   61=       -0.0000002535
 Unscaled step for mode   62=       -0.0000001656
 Unscaled step for mode   63=       -0.0000000894
 Unscaled step for mode   64=       -0.0000003384
 Unscaled step for mode   65=        0.0000001692
 Unscaled step for mode   66=       -0.0000000600
 Unscaled step for mode   67=       -0.0000001684
 Unscaled step for mode   68=        0.0000000648
 Unscaled step for mode   69=       -0.0000000768
 Unscaled step for mode   70=       -0.0000003163
 Unscaled step for mode   71=       -0.0000000669
 Unscaled step for mode   72=        0.0000008170
 Unscaled step for mode   73=        0.0000002627
 Unscaled step for mode   74=       -0.0000001955
 Unscaled step for mode   75=       -0.0000008360
 Unscaled step for mode   76=        0.0000001326
 Unscaled step for mode   77=       -0.0000005443
 Unscaled step for mode   78=        0.0000001899
 Unscaled step for mode   79=        0.0000000629
 Unscaled step for mode   80=        0.0000002238
 Unscaled step for mode   81=        0.0000003876
 Unscaled step for mode   82=        0.0000002735
 Unscaled step for mode   83=        0.0000001586
 Unscaled step for mode   84=       -0.0000008116
 Unscaled step for mode   85=        0.0000001974
 Unscaled step for mode   86=        0.0000003195
 Unscaled step for mode   87=       -0.0000007236
 Unscaled step for mode   88=       -0.0000003475
 Unscaled step for mode   89=       -0.0000002233
 Unscaled step for mode   90=        0.0000007605
 Unscaled step for mode   91=        0.0000009562
 Unscaled step for mode   92=        0.0000010948
 Unscaled step for mode   93=       -0.0000005248
 Unscaled step for mode   94=        0.0000010564
 Unscaled step for mode   95=       -0.0000000551
 Unscaled step for mode   96=        0.0000002799
 Unscaled step for mode   97=       -0.0000007964
 Unscaled step for mode   98=       -0.0000014064
 Unscaled step for mode   99=       -0.0000028923
 Unscaled step for mode  100=       -0.0000020366
 Unscaled step for mode  101=       -0.0000003197
 Unscaled step for mode  102=        0.0000039180
 Unscaled step for mode  103=       -0.0000018457
 Unscaled step for mode  104=        0.0000057145
 Unscaled step for mode  105=        0.0000031360
 Unscaled step for mode  106=       -0.0000023539
 Unscaled step for mode  107=       -0.0000024907
 Unscaled step for mode  108=        0.0000009139
 Unscaled step for mode  109=       -0.0000054581
 Unscaled step for mode  110=        0.0011965620
 Unscaled step for mode  111=        0.0000065839
 Unscaled step for mode  112=       -0.0025460412
 Unscaled step for mode  113=        0.0071607866
 Unscaled step for mode  114=       -0.2320594508
 Largest modulus ratio of non-zero e/values=           212.3596290    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.195482E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.172323E-14    0.100677E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.416165E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.912465E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.677745E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.556494E-15    0.974121E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.874331E-05    0.742204E+03  0.117802E-07 0.100000E-04    0.995596E+00
   8   -0.825401E-05    0.674538E+03  0.122365E-07 0.100000E-04    0.987543E+00
   9   -0.423140E-05    0.628883E+03  0.672843E-08 0.100000E-04    0.945150E+00
  10    0.323056E-05    0.602250E+03 -0.536416E-08 0.100000E-04    0.998519E+00
  11   -0.232348E-05    0.587016E+03  0.395812E-08 0.100000E-04    0.979962E+00
  12   -0.996172E-05    0.577077E+03  0.172624E-07 0.100000E-04    0.968506E+00
  13   -0.345200E-05    0.566754E+03  0.609083E-08 0.100000E-04    0.990100E+00
  14    0.540643E-05    0.486484E+03 -0.111133E-07 0.100000E-04    0.971050E+00
  15    0.225601E-05    0.461931E+03 -0.488387E-08 0.100000E-04    0.962238E+00
  16    0.700872E-05    0.460439E+03 -0.152218E-07 0.100000E-04    0.987106E+00
  17    0.289347E-05    0.441758E+03 -0.654989E-08 0.100000E-04    0.939121E+00
  18    0.361362E-05    0.428853E+03 -0.842623E-08 0.100000E-04    0.960020E+00
  19   -0.204415E-04    0.422099E+03  0.484283E-07 0.100000E-04    0.997900E+00
  20    0.283064E-05    0.408560E+03 -0.692834E-08 0.100000E-04    0.943523E+00
  21    0.331362E-05    0.396723E+03 -0.835246E-08 0.100000E-04    0.953114E+00
  22   -0.132996E-04    0.388260E+03  0.342543E-07 0.100000E-04    0.988857E+00
  23    0.337765E-05    0.369268E+03 -0.914687E-08 0.100000E-04    0.926816E+00
  24   -0.790840E-05    0.360700E+03  0.219252E-07 0.100000E-04    0.981274E+00
  25   -0.244873E-04    0.349798E+03  0.700040E-07 0.100000E-04    0.996937E+00
  26   -0.361815E-04    0.334982E+03  0.108010E-06 0.100000E-04    0.996784E+00
  27   -0.169818E-04    0.328137E+03  0.517520E-07 0.100000E-04    0.990669E+00
  28    0.103765E-04    0.321795E+03 -0.322456E-07 0.100000E-04    0.985959E+00
  29    0.330952E-04    0.319290E+03 -0.103652E-06 0.100000E-04    0.999722E+00
  30   -0.241171E-04    0.310277E+03  0.777276E-07 0.100000E-04    0.991725E+00
  31   -0.258605E-04    0.301780E+03  0.856930E-07 0.100000E-04    0.992601E+00
  32   -0.136333E-04    0.289982E+03  0.470142E-07 0.100000E-04    0.978843E+00
  33    0.153755E-04    0.278340E+03 -0.552400E-07 0.100000E-04    0.997965E+00
  34   -0.200416E-04    0.271958E+03  0.736937E-07 0.100000E-04    0.998353E+00
  35    0.264136E-04    0.267953E+03 -0.985755E-07 0.100000E-04    0.993840E+00
  36    0.274161E-04    0.264755E+03 -0.103552E-06 0.100000E-04    0.988168E+00
  37    0.202312E-04    0.262300E+03 -0.771299E-07 0.100000E-04    0.992345E+00
  38    0.638257E-05    0.253643E+03 -0.251636E-07 0.100000E-04    0.989818E+00
  39   -0.218175E-04    0.241638E+03  0.902899E-07 0.100000E-04    0.995520E+00
  40   -0.346113E-04    0.239991E+03  0.144219E-06 0.100000E-04    0.989106E+00
  41   -0.499918E-04    0.233787E+03  0.213835E-06 0.100000E-04    0.997514E+00
  42   -0.241433E-04    0.227658E+03  0.106051E-06 0.100000E-04    0.983053E+00
  43   -0.199867E-04    0.217473E+03  0.919045E-07 0.100000E-04    0.999567E+00
  44   -0.463405E-04    0.214703E+03  0.215836E-06 0.100000E-04    0.989201E+00
  45    0.906385E-05    0.213169E+03 -0.425195E-07 0.100000E-04    0.979296E+00
  46    0.373636E-04    0.207289E+03 -0.180249E-06 0.100000E-04    0.995318E+00
  47   -0.263029E-04    0.203357E+03  0.129343E-06 0.100000E-04    0.997131E+00
  48    0.562208E-05    0.196255E+03 -0.286468E-07 0.100000E-04    0.958569E+00
  49    0.328139E-04    0.194797E+03 -0.168451E-06 0.100000E-04    0.996400E+00
  50   -0.428498E-05    0.191308E+03  0.223983E-07 0.100000E-04    0.903952E+00
  51   -0.181256E-04    0.183036E+03  0.990277E-07 0.100000E-04    0.994066E+00
  52    0.860703E-05    0.174068E+03 -0.494464E-07 0.100000E-04    0.990740E+00
  53    0.149939E-04    0.172330E+03 -0.870069E-07 0.100000E-04    0.993325E+00
  54   -0.255933E-04    0.167898E+03  0.152433E-06 0.100000E-04    0.999491E+00
  55   -0.249340E-04    0.163838E+03  0.152187E-06 0.100000E-04    0.993703E+00
  56    0.910633E-05    0.157472E+03 -0.578282E-07 0.100000E-04    0.962437E+00
  57   -0.166026E-04    0.154600E+03  0.107391E-06 0.100000E-04    0.991636E+00
  58    0.282811E-04    0.152094E+03 -0.185945E-06 0.100000E-04    0.996659E+00
  59   -0.859716E-05    0.147360E+03  0.583411E-07 0.100000E-04    0.979184E+00
  60    0.247993E-04    0.143512E+03 -0.172803E-06 0.100000E-04    0.993885E+00
  61    0.349008E-04    0.137656E+03 -0.253537E-06 0.100000E-04    0.988668E+00
  62    0.225141E-04    0.135920E+03 -0.165642E-06 0.100000E-04    0.997524E+00
  63    0.116649E-04    0.130477E+03 -0.894022E-07 0.100000E-04    0.951999E+00
  64    0.435315E-04    0.128622E+03 -0.338444E-06 0.100000E-04    0.999921E+00
  65   -0.214233E-04    0.126644E+03  0.169162E-06 0.100000E-04    0.977862E+00
  66    0.748730E-05    0.124842E+03 -0.599742E-07 0.100000E-04    0.977285E+00
  67    0.202003E-04    0.119934E+03 -0.168428E-06 0.100000E-04    0.975402E+00
  68   -0.765176E-05    0.118152E+03  0.647622E-07 0.100000E-04    0.980885E+00
  69    0.899857E-05    0.117102E+03 -0.768442E-07 0.100000E-04    0.993929E+00
  70    0.349215E-04    0.110405E+03 -0.316304E-06 0.100000E-04    0.992826E+00
  71    0.716210E-05    0.107111E+03 -0.668661E-07 0.100000E-04    0.987862E+00
  72   -0.853218E-04    0.104433E+03  0.817000E-06 0.100000E-04    0.999117E+00
  73   -0.270471E-04    0.102958E+03  0.262700E-06 0.100000E-04    0.990655E+00
  74    0.194805E-04    0.996499E+02 -0.195490E-06 0.100000E-04    0.990028E+00
  75    0.802072E-04    0.959450E+02 -0.835971E-06 0.100000E-04    0.995293E+00
  76   -0.124827E-04    0.941367E+02  0.132602E-06 0.100000E-04    0.954492E+00
  77    0.505594E-04    0.928806E+02 -0.544349E-06 0.100000E-04    0.993478E+00
  78   -0.172822E-04    0.909846E+02  0.189946E-06 0.100000E-04    0.986569E+00
  79   -0.559174E-05    0.889149E+02  0.628887E-07 0.100000E-04    0.998041E+00
  80   -0.191051E-04    0.853792E+02  0.223767E-06 0.100000E-04    0.995074E+00
  81   -0.313341E-04    0.808500E+02  0.387558E-06 0.100000E-04    0.992820E+00
  82   -0.219124E-04    0.801273E+02  0.273470E-06 0.100000E-04    0.985036E+00
  83   -0.123858E-04    0.781181E+02  0.158553E-06 0.100000E-04    0.979731E+00
  84    0.594221E-04    0.732118E+02 -0.811646E-06 0.100000E-04    0.993903E+00
  85   -0.143543E-04    0.727317E+02  0.197360E-06 0.100000E-04    0.946678E+00
  86   -0.217763E-04    0.681473E+02  0.319547E-06 0.100000E-04    0.989596E+00
  87    0.471875E-04    0.652107E+02 -0.723616E-06 0.100000E-04    0.992503E+00
  88    0.215821E-04    0.621157E+02 -0.347451E-06 0.100000E-04    0.970666E+00
  89    0.133897E-04    0.599733E+02 -0.223261E-06 0.100000E-04    0.949951E+00
  90   -0.451640E-04    0.593844E+02  0.760535E-06 0.100000E-04    0.995862E+00
  91   -0.560170E-04    0.585844E+02  0.956175E-06 0.100000E-04    0.985250E+00
  92   -0.613208E-04    0.560103E+02  0.109481E-05 0.100000E-04    0.995916E+00
  93    0.275737E-04    0.525423E+02 -0.524791E-06 0.100000E-04    0.966226E+00
  94   -0.552098E-04    0.522611E+02  0.105642E-05 0.100000E-04    0.998006E+00
  95    0.275743E-05    0.500225E+02 -0.551238E-07 0.100000E-04    0.844906E+00
  96   -0.130782E-04    0.467168E+02  0.279946E-06 0.100000E-04    0.985579E+00
  97    0.342699E-04    0.430299E+02 -0.796421E-06 0.100000E-04    0.965164E+00
  98    0.573195E-04    0.407551E+02 -0.140644E-05 0.100000E-04    0.993401E+00
  99    0.109533E-03    0.378702E+02 -0.289232E-05 0.100000E-04    0.989338E+00
 100    0.742155E-04    0.364406E+02 -0.203661E-05 0.100000E-04    0.989328E+00
 101    0.105397E-04    0.329668E+02 -0.319708E-06 0.100000E-04    0.819253E+00
 102   -0.112799E-03    0.287898E+02  0.391802E-05 0.100000E-04    0.996595E+00
 103    0.525734E-04    0.284850E+02 -0.184565E-05 0.100000E-04    0.991131E+00
 104   -0.151398E-03    0.264937E+02  0.571449E-05 0.100000E-04    0.994790E+00
 105   -0.728997E-04    0.232464E+02  0.313595E-05 0.100000E-04    0.981929E+00
 106    0.497733E-04    0.211446E+02 -0.235395E-05 0.100000E-04    0.949511E+00
 107    0.504075E-04    0.202386E+02 -0.249066E-05 0.100000E-04    0.930867E+00
 108   -0.152158E-04    0.166491E+02  0.913911E-06 0.100000E-04    0.585391E+00
 109    0.756604E-04    0.138621E+02 -0.545808E-05 0.100000E-04    0.978310E+00
 110   -0.146448E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.681170E+00
 111   -0.662820E-04    0.100673E+02  0.658388E-05 0.100000E-04    0.981629E+00
 112    0.216642E-01    0.850892E+01 -0.250628E-04 0.250628E-04    0.781730E-01
 113   -0.433639E-01    0.605544E+01  0.623764E-04 0.623764E-04    0.211304E+00
 114   -0.857218E+00    0.349503E+01 -0.400000E-03 0.400000E-03    0.349410E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2320594508    

 Beginning of optimization cycle  464.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3158985673
 potential> RMS force:                                               0.0805538749   |gradient|=.8600800259    
 Eigenvalues of the Hessian matrix:
   742.27526    674.54267    628.90293    602.22792    587.00785    577.11659 
   566.74347    486.51080    461.90837    460.43148    441.76125    428.84982 
   422.09833    408.55939    396.71868    388.25115    369.28169    360.69334 
   349.78925    334.98264    328.15689    321.80005    319.27636    310.26488 
   301.76063    289.99338    278.34077    271.97104    267.96115    264.75642 
   262.32655    253.63616    241.63326    240.00411    233.78295    227.65053 
   217.45527    214.70816    213.17451    207.29274    203.35312    196.24237 
   194.79426    191.30673    183.02768    174.06573    172.33002    167.90218 
   163.82816    157.46008    154.60434    152.09884    147.34939    143.51236 
   137.66093    135.91898    130.47574    128.62591    126.64839    124.83405 
   119.93532    118.15188    117.10067    110.40184    107.10721    104.43147 
   102.95597     99.64878     95.94940     94.14033     92.86260     90.98768 
    88.90769     85.38208     80.84923     80.13037     78.11629     73.21622 
    72.73377     68.14578     65.20366     62.10236     59.97303     59.38459 
    58.57629     56.00928     52.54167     52.25947     50.02315     46.70890 
    43.03319     40.75813     37.87220     36.44147     32.95399     28.79011 
    28.48383     26.48709     23.24812     21.14879     20.23028     16.64664 
    13.86274     12.23902     10.06825      8.50967      6.04705      3.48917 
overlap for current and previous eigenvector    109 is         0.9999997955
overlap for current and previous eigenvector    110 is         0.9999997654
overlap for current and previous eigenvector    111 is         0.9999997522
overlap for current and previous eigenvector    112 is        -0.9999997210
overlap for current and previous eigenvector    113 is        -0.9999992613
overlap for current and previous eigenvector    114 is        -0.9999994515
J1,K1,R1,R2,RAT=   7   7   -0.4690708090E-02     2.004497909        0.9953092919    
FOB,PFOB,DIAG,PSTEP=   -0.8784325450E-05   -0.8743309185E-05     742.2752586        0.1178020150E-07
J1,K1,R1,R2,RAT=   8   8    0.9966038060E-02     1.990019512        0.9900195125    
FOB,PFOB,DIAG,PSTEP=   -0.8171745996E-05   -0.8254006331E-05     674.5426692        0.1223653646E-07
J1,K1,R1,R2,RAT=   9   9    0.2102422609E-01     1.978912942        0.9789129422    
FOB,PFOB,DIAG,PSTEP=   -0.4142430742E-05   -0.4231395349E-05     628.9029304        0.6728428319E-08
J1,K1,R1,R2,RAT=  10  10   -0.3923247521E-01     2.039304798        0.9607675248    
FOB,PFOB,DIAG,PSTEP=    0.3357299071E-05    0.3230560759E-05     602.2279194       -0.5364155061E-08
J1,K1,R1,R2,RAT=  11  11   -0.2553989803E-01     2.025567620        0.9744601020    
FOB,PFOB,DIAG,PSTEP=   -0.2382817963E-05   -0.2323477409E-05     587.0078476        0.3958116085E-08
J1,K1,R1,R2,RAT= 109 109    0.7858146765E-02     1.992049756        0.9920497556    
FOB,PFOB,DIAG,PSTEP=    0.7506587151E-04    0.7566044981E-04     13.86273637       -0.5458080715E-05
J1,K1,R1,R2,RAT= 110 110   -0.3621177585         239.6746443        0.6378822415    
FOB,PFOB,DIAG,PSTEP=   -0.1468907195E-01   -0.1464475229E-01     12.23901858        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2047011050E-02     1.997768000        0.9977680005    
FOB,PFOB,DIAG,PSTEP=   -0.6614632775E-04   -0.6628202033E-04     10.06825065        0.6583879752E-05
J1,K1,R1,R2,RAT= 112 112     203.8755907       -0.7190525564        0.2809474436    
FOB,PFOB,DIAG,PSTEP=   -0.2181755021E-01    0.2166419365E-01     8.509672100       -0.2506276000E-04
J1,K1,R1,R2,RAT= 113 113     230.8012147       -0.8716908034        0.1283091966    
FOB,PFOB,DIAG,PSTEP=    0.4369272976E-01   -0.4336393386E-01     6.047048859        0.6237642085E-04
J1,K1,R1,R2,RAT= 114 114    -1229.364182        0.9664820068        0.3351799319E-01
FOB,PFOB,DIAG,PSTEP=    0.8585666375       -0.8572177494         3.489170280       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002     -0.00001     -0.00002      0.00003 
    -0.00002      0.00001      0.00002     -0.00003     -0.00001      0.00002 
     0.00004      0.00002      0.00001     -0.00004     -0.00002      0.00001 
    -0.00002     -0.00001     -0.00001      0.00003     -0.00001     -0.00009 
    -0.00003      0.00002      0.00008     -0.00001      0.00005     -0.00002 
    -0.00001     -0.00002     -0.00003      0.00002      0.00001     -0.00006 
    -0.00001     -0.00002      0.00005      0.00002      0.00001     -0.00004 
    -0.00006     -0.00006      0.00003     -0.00006      0.00000     -0.00001 
     0.00004      0.00006      0.00011     -0.00007      0.00001      0.00011 
     0.00005     -0.00015     -0.00007     -0.00005     -0.00005     -0.00001 
     0.00008     -0.01469     -0.00007     -0.02182      0.04369      0.85857 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3970797639
 Log product of positive Hessian eigenvalues =          519.2493690097
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4891702796
 Unscaled step for mode    7=        0.0000000118
 Unscaled step for mode    8=        0.0000000121
 Unscaled step for mode    9=        0.0000000066
 Unscaled step for mode   10=       -0.0000000056
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000170
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000110
 Unscaled step for mode   15=       -0.0000000050
 Unscaled step for mode   16=       -0.0000000154
 Unscaled step for mode   17=       -0.0000000069
 Unscaled step for mode   18=       -0.0000000085
 Unscaled step for mode   19=        0.0000000487
 Unscaled step for mode   20=       -0.0000000071
 Unscaled step for mode   21=       -0.0000000085
 Unscaled step for mode   22=        0.0000000343
 Unscaled step for mode   23=       -0.0000000086
 Unscaled step for mode   24=        0.0000000219
 Unscaled step for mode   25=        0.0000000702
 Unscaled step for mode   26=        0.0000001083
 Unscaled step for mode   27=        0.0000000519
 Unscaled step for mode   28=       -0.0000000324
 Unscaled step for mode   29=       -0.0000001045
 Unscaled step for mode   30=        0.0000000769
 Unscaled step for mode   31=        0.0000000852
 Unscaled step for mode   32=        0.0000000470
 Unscaled step for mode   33=       -0.0000000558
 Unscaled step for mode   34=        0.0000000743
 Unscaled step for mode   35=       -0.0000000979
 Unscaled step for mode   36=       -0.0000001034
 Unscaled step for mode   37=       -0.0000000772
 Unscaled step for mode   38=       -0.0000000252
 Unscaled step for mode   39=        0.0000000906
 Unscaled step for mode   40=        0.0000001446
 Unscaled step for mode   41=        0.0000002136
 Unscaled step for mode   42=        0.0000001054
 Unscaled step for mode   43=        0.0000000908
 Unscaled step for mode   44=        0.0000002152
 Unscaled step for mode   45=       -0.0000000438
 Unscaled step for mode   46=       -0.0000001802
 Unscaled step for mode   47=        0.0000001284
 Unscaled step for mode   48=       -0.0000000296
 Unscaled step for mode   49=       -0.0000001675
 Unscaled step for mode   50=        0.0000000255
 Unscaled step for mode   51=        0.0000000989
 Unscaled step for mode   52=        0.0000000500
 Unscaled step for mode   53=        0.0000000875
 Unscaled step for mode   54=       -0.0000001523
 Unscaled step for mode   55=        0.0000001522
 Unscaled step for mode   56=       -0.0000000578
 Unscaled step for mode   57=       -0.0000001087
 Unscaled step for mode   58=        0.0000001857
 Unscaled step for mode   59=        0.0000000589
 Unscaled step for mode   60=       -0.0000001731
 Unscaled step for mode   61=       -0.0000002575
 Unscaled step for mode   62=       -0.0000001648
 Unscaled step for mode   63=       -0.0000000925
 Unscaled step for mode   64=        0.0000003403
 Unscaled step for mode   65=        0.0000001723
 Unscaled step for mode   66=       -0.0000000605
 Unscaled step for mode   67=        0.0000001669
 Unscaled step for mode   68=        0.0000000652
 Unscaled step for mode   69=        0.0000000787
 Unscaled step for mode   70=       -0.0000003129
 Unscaled step for mode   71=        0.0000000658
 Unscaled step for mode   72=        0.0000008217
 Unscaled step for mode   73=        0.0000002632
 Unscaled step for mode   74=       -0.0000001968
 Unscaled step for mode   75=       -0.0000008367
 Unscaled step for mode   76=        0.0000001306
 Unscaled step for mode   77=       -0.0000005497
 Unscaled step for mode   78=        0.0000001894
 Unscaled step for mode   79=        0.0000000631
 Unscaled step for mode   80=        0.0000002215
 Unscaled step for mode   81=        0.0000003875
 Unscaled step for mode   82=       -0.0000002704
 Unscaled step for mode   83=       -0.0000001544
 Unscaled step for mode   84=        0.0000008222
 Unscaled step for mode   85=        0.0000002025
 Unscaled step for mode   86=        0.0000003248
 Unscaled step for mode   87=       -0.0000007312
 Unscaled step for mode   88=       -0.0000003503
 Unscaled step for mode   89=       -0.0000002166
 Unscaled step for mode   90=        0.0000007574
 Unscaled step for mode   91=        0.0000009731
 Unscaled step for mode   92=        0.0000010831
 Unscaled step for mode   93=       -0.0000005297
 Unscaled step for mode   94=        0.0000010604
 Unscaled step for mode   95=       -0.0000000671
 Unscaled step for mode   96=        0.0000002933
 Unscaled step for mode   97=       -0.0000008270
 Unscaled step for mode   98=       -0.0000014223
 Unscaled step for mode   99=       -0.0000029195
 Unscaled step for mode  100=        0.0000020383
 Unscaled step for mode  101=       -0.0000003698
 Unscaled step for mode  102=       -0.0000039499
 Unscaled step for mode  103=       -0.0000018400
 Unscaled step for mode  104=        0.0000057707
 Unscaled step for mode  105=        0.0000031752
 Unscaled step for mode  106=        0.0000023965
 Unscaled step for mode  107=        0.0000022283
 Unscaled step for mode  108=        0.0000006935
 Unscaled step for mode  109=       -0.0000054149
 Unscaled step for mode  110=        0.0012001821
 Unscaled step for mode  111=        0.0000065698
 Unscaled step for mode  112=        0.0025638364
 Unscaled step for mode  113=       -0.0072250861
 Unscaled step for mode  114=        0.2327375284
 Largest modulus ratio of non-zero e/values=           212.7368971    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.590240E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.193910E-14    0.100677E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.155244E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.154327E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.707984E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.161817E-16    0.974123E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.878433E-05    0.742275E+03  0.118343E-07 0.100000E-04    0.995309E+00
   8   -0.817175E-05    0.674543E+03  0.121145E-07 0.100000E-04    0.990020E+00
   9   -0.414243E-05    0.628903E+03  0.658676E-08 0.100000E-04    0.978913E+00
  10    0.335730E-05    0.602228E+03 -0.557480E-08 0.100000E-04    0.960768E+00
  11   -0.238282E-05    0.587008E+03  0.405926E-08 0.100000E-04    0.974460E+00
  12   -0.980024E-05    0.577117E+03  0.169814E-07 0.100000E-04    0.983656E+00
  13   -0.340853E-05    0.566743E+03  0.601423E-08 0.100000E-04    0.987405E+00
  14    0.535431E-05    0.486511E+03 -0.110055E-07 0.100000E-04    0.990252E+00
  15    0.229301E-05    0.461908E+03 -0.496421E-08 0.100000E-04    0.983600E+00
  16    0.709031E-05    0.460431E+03 -0.153993E-07 0.100000E-04    0.988359E+00
  17    0.304880E-05    0.441761E+03 -0.690146E-08 0.100000E-04    0.946317E+00
  18    0.366630E-05    0.428850E+03 -0.854916E-08 0.100000E-04    0.985420E+00
  19   -0.205547E-04    0.422098E+03  0.486965E-07 0.100000E-04    0.994462E+00
  20    0.289502E-05    0.408559E+03 -0.708592E-08 0.100000E-04    0.977256E+00
  21    0.338347E-05    0.396719E+03 -0.852864E-08 0.100000E-04    0.978919E+00
  22   -0.133177E-04    0.388251E+03  0.343017E-07 0.100000E-04    0.998639E+00
  23    0.317486E-05    0.369282E+03 -0.859739E-08 0.100000E-04    0.939890E+00
  24   -0.789571E-05    0.360693E+03  0.218904E-07 0.100000E-04    0.998396E+00
  25   -0.245628E-04    0.349789E+03  0.702217E-07 0.100000E-04    0.996915E+00
  26   -0.362904E-04    0.334983E+03  0.108335E-06 0.100000E-04    0.996990E+00
  27   -0.170270E-04    0.328157E+03  0.518868E-07 0.100000E-04    0.997335E+00
  28    0.104357E-04    0.321800E+03 -0.324293E-07 0.100000E-04    0.994291E+00
  29    0.333766E-04    0.319276E+03 -0.104538E-06 0.100000E-04    0.991498E+00
  30   -0.238598E-04    0.310265E+03  0.769014E-07 0.100000E-04    0.989332E+00
  31   -0.257081E-04    0.301761E+03  0.851937E-07 0.100000E-04    0.994108E+00
  32   -0.136163E-04    0.289993E+03  0.469538E-07 0.100000E-04    0.998676E+00
  33    0.155309E-04    0.278341E+03 -0.557980E-07 0.100000E-04    0.989898E+00
  34   -0.202168E-04    0.271971E+03  0.743345E-07 0.100000E-04    0.991256E+00
  35    0.262405E-04    0.267961E+03 -0.979264E-07 0.100000E-04    0.993386E+00
  36    0.273789E-04    0.264756E+03 -0.103412E-06 0.100000E-04    0.998637E+00
  37    0.202638E-04    0.262327E+03 -0.772465E-07 0.100000E-04    0.998388E+00
  38    0.640389E-05    0.253636E+03 -0.252483E-07 0.100000E-04    0.996659E+00
  39   -0.218982E-04    0.241633E+03  0.906260E-07 0.100000E-04    0.996299E+00
  40   -0.347142E-04    0.240004E+03  0.144640E-06 0.100000E-04    0.997027E+00
  41   -0.499380E-04    0.233783E+03  0.213608E-06 0.100000E-04    0.998924E+00
  42   -0.239844E-04    0.227651E+03  0.105356E-06 0.100000E-04    0.993415E+00
  43   -0.197417E-04    0.217455E+03  0.907851E-07 0.100000E-04    0.987740E+00
  44   -0.462051E-04    0.214708E+03  0.215199E-06 0.100000E-04    0.997026E+00
  45    0.934227E-05    0.213175E+03 -0.438245E-07 0.100000E-04    0.969283E+00
  46    0.373466E-04    0.207293E+03 -0.180164E-06 0.100000E-04    0.999508E+00
  47   -0.261076E-04    0.203353E+03  0.128386E-06 0.100000E-04    0.992576E+00
  48    0.580935E-05    0.196242E+03 -0.296029E-07 0.100000E-04    0.966687E+00
  49    0.326281E-04    0.194794E+03 -0.167500E-06 0.100000E-04    0.994339E+00
  50   -0.487786E-05    0.191307E+03  0.254976E-07 0.100000E-04    0.861635E+00
  51   -0.180940E-04    0.183028E+03  0.988592E-07 0.100000E-04    0.998254E+00
  52   -0.869870E-05    0.174066E+03  0.499737E-07 0.100000E-04    0.989350E+00
  53   -0.150809E-04    0.172330E+03  0.875120E-07 0.100000E-04    0.994195E+00
  54    0.255780E-04    0.167902E+03 -0.152339E-06 0.100000E-04    0.999355E+00
  55   -0.249371E-04    0.163828E+03  0.152215E-06 0.100000E-04    0.999876E+00
  56    0.910650E-05    0.157460E+03 -0.578337E-07 0.100000E-04    0.999981E+00
  57    0.168018E-04    0.154604E+03 -0.108676E-06 0.100000E-04    0.988005E+00
  58   -0.282508E-04    0.152099E+03  0.185740E-06 0.100000E-04    0.998861E+00
  59   -0.867806E-05    0.147349E+03  0.588944E-07 0.100000E-04    0.990589E+00
  60    0.248422E-04    0.143512E+03 -0.173101E-06 0.100000E-04    0.998270E+00
  61    0.354418E-04    0.137661E+03 -0.257457E-06 0.100000E-04    0.984499E+00
  62    0.224013E-04    0.135919E+03 -0.164814E-06 0.100000E-04    0.994991E+00
  63    0.120661E-04    0.130476E+03 -0.924781E-07 0.100000E-04    0.965605E+00
  64   -0.437666E-04    0.128626E+03  0.340263E-06 0.100000E-04    0.994600E+00
  65   -0.218269E-04    0.126648E+03  0.172342E-06 0.100000E-04    0.981160E+00
  66    0.755054E-05    0.124834E+03 -0.604846E-07 0.100000E-04    0.991553E+00
  67   -0.200212E-04    0.119935E+03  0.166933E-06 0.100000E-04    0.991118E+00
  68   -0.769908E-05    0.118152E+03  0.651626E-07 0.100000E-04    0.993815E+00
  69   -0.921143E-05    0.117101E+03  0.786625E-07 0.100000E-04    0.976345E+00
  70    0.345459E-04    0.110402E+03 -0.312910E-06 0.100000E-04    0.989242E+00
  71   -0.704497E-05    0.107107E+03  0.657750E-07 0.100000E-04    0.983646E+00
  72   -0.858085E-04    0.104431E+03  0.821673E-06 0.100000E-04    0.994295E+00
  73   -0.270990E-04    0.102956E+03  0.263209E-06 0.100000E-04    0.998083E+00
  74    0.196118E-04    0.996488E+02 -0.196809E-06 0.100000E-04    0.993261E+00
  75    0.802836E-04    0.959494E+02 -0.836728E-06 0.100000E-04    0.999047E+00
  76   -0.122962E-04    0.941403E+02  0.130616E-06 0.100000E-04    0.984984E+00
  77    0.510478E-04    0.928626E+02 -0.549713E-06 0.100000E-04    0.990340E+00
  78   -0.172299E-04    0.909877E+02  0.189365E-06 0.100000E-04    0.996905E+00
  79   -0.561443E-05    0.889077E+02  0.631490E-07 0.100000E-04    0.995942E+00
  80   -0.189119E-04    0.853821E+02  0.221498E-06 0.100000E-04    0.989824E+00
  81   -0.313312E-04    0.808492E+02  0.387527E-06 0.100000E-04    0.999910E+00
  82    0.216699E-04    0.801304E+02 -0.270433E-06 0.100000E-04    0.988858E+00
  83    0.120616E-04    0.781163E+02 -0.154405E-06 0.100000E-04    0.973818E+00
  84   -0.602019E-04    0.732162E+02  0.822248E-06 0.100000E-04    0.986878E+00
  85   -0.147298E-04    0.727338E+02  0.202516E-06 0.100000E-04    0.973846E+00
  86   -0.221339E-04    0.681458E+02  0.324802E-06 0.100000E-04    0.983578E+00
  87    0.476782E-04    0.652037E+02 -0.731220E-06 0.100000E-04    0.989599E+00
  88    0.217531E-04    0.621024E+02 -0.350277E-06 0.100000E-04    0.992079E+00
  89    0.129906E-04    0.599730E+02 -0.216607E-06 0.100000E-04    0.970192E+00
  90   -0.449751E-04    0.593846E+02  0.757354E-06 0.100000E-04    0.995814E+00
  91   -0.569978E-04    0.585763E+02  0.973053E-06 0.100000E-04    0.982488E+00
  92   -0.606631E-04    0.560093E+02  0.108309E-05 0.100000E-04    0.989275E+00
  93    0.278293E-04    0.525417E+02 -0.529661E-06 0.100000E-04    0.990731E+00
  94   -0.554155E-04    0.522595E+02  0.106039E-05 0.100000E-04    0.996274E+00
  95    0.335579E-05    0.500232E+02 -0.670847E-07 0.100000E-04    0.783004E+00
  96   -0.137019E-04    0.467089E+02  0.293346E-06 0.100000E-04    0.952303E+00
  97    0.355890E-04    0.430332E+02 -0.827013E-06 0.100000E-04    0.961511E+00
  98    0.579695E-04    0.407581E+02 -0.142228E-05 0.100000E-04    0.988659E+00
  99    0.110567E-03    0.378722E+02 -0.291948E-05 0.100000E-04    0.990555E+00
 100   -0.742775E-04    0.364415E+02  0.203827E-05 0.100000E-04    0.999164E+00
 101    0.121876E-04    0.329540E+02 -0.369838E-06 0.100000E-04    0.843588E+00
 102    0.113719E-03    0.287901E+02 -0.394992E-05 0.100000E-04    0.991848E+00
 103    0.524096E-04    0.284838E+02 -0.183998E-05 0.100000E-04    0.996885E+00
 104   -0.152849E-03    0.264871E+02  0.577071E-05 0.100000E-04    0.990410E+00
 105   -0.738163E-04    0.232481E+02  0.317515E-05 0.100000E-04    0.987428E+00
 106   -0.506835E-04    0.211488E+02  0.239652E-05 0.100000E-04    0.981718E+00
 107   -0.450781E-04    0.202303E+02  0.222825E-05 0.100000E-04    0.894232E+00
 108   -0.115444E-04    0.166466E+02  0.693497E-06 0.100000E-04    0.758677E+00
 109    0.750659E-04    0.138627E+02 -0.541494E-05 0.100000E-04    0.992050E+00
 110   -0.146891E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.637882E+00
 111   -0.661463E-04    0.100683E+02  0.656979E-05 0.100000E-04    0.997768E+00
 112   -0.218176E-01    0.850967E+01  0.225791E-04 0.225791E-04    0.280947E+00
 113    0.436927E-01    0.604705E+01 -0.679903E-04 0.679903E-04    0.128309E+00
 114    0.858567E+00    0.348917E+01  0.400000E-03 0.400000E-03    0.335180E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2327375284    

 Beginning of optimization cycle  465.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3155584572
 potential> RMS force:                                               0.0806816391   |gradient|=.8614441747    
 Eigenvalues of the Hessian matrix:
   742.34719    674.54690    628.92294    602.20637    586.99946    577.15612 
   566.73249    486.53698    461.88548    460.42357    441.76472    428.84682 
   422.09795    408.55876    396.71386    388.24262    369.29535    360.68709 
   349.78087    334.98345    328.17661    321.80444    319.26319    310.25284 
   301.74095    290.00501    278.34135    271.98433    267.96956    264.75744 
   262.35343    253.62956    241.62834    240.01721    233.77907    227.64285 
   217.43799    214.71359    213.17980    207.29670    203.34866    196.23007 
   194.79128    191.30547    183.01980    174.06382    172.32998    167.90648 
   163.81772    157.44797    154.60842    152.10400    147.33840    143.51303 
   137.66647    135.91812    130.47431    128.62936    126.65314    124.82581 
   119.93625    118.15214    117.09961    110.39878    107.10320    104.42978 
   102.95353     99.64761     95.95384     94.14382     92.84456     90.99086 
    88.90040     85.38502     80.84843     80.13363     78.11440     73.22048 
    72.73564     68.14404     65.19654     62.08896     59.97275     59.38470 
    58.56800     56.00815     52.54099     52.25767     50.02382     46.70083 
    43.03654     40.76112     37.87412     36.44196     32.94113     28.79041 
    28.48269     26.48054     23.24984     21.15282     20.22202     16.64415 
    13.86337     12.23902     10.06919      8.51058      6.03865      3.48331 
overlap for current and previous eigenvector    109 is         0.9999997847
overlap for current and previous eigenvector    110 is         0.9999997611
overlap for current and previous eigenvector    111 is         0.9999997355
overlap for current and previous eigenvector    112 is        -0.9999997154
overlap for current and previous eigenvector    113 is        -0.9999992293
overlap for current and previous eigenvector    114 is        -0.9999994144
J1,K1,R1,R2,RAT=   7   7   -0.3380128140E-02     2.003186346        0.9966198719    
FOB,PFOB,DIAG,PSTEP=   -0.8814020473E-05   -0.8784325450E-05     742.3471853        0.1183432338E-07
J1,K1,R1,R2,RAT=   8   8   -0.1400000261E-01     2.013987463        0.9859999974    
FOB,PFOB,DIAG,PSTEP=   -0.8286151178E-05   -0.8171745996E-05     674.5468985        0.1211449827E-07
J1,K1,R1,R2,RAT=   9   9   -0.2989007309E-01     2.029826434        0.9701099269    
FOB,PFOB,DIAG,PSTEP=   -0.4266252240E-05   -0.4142430742E-05     628.9229425        0.6586756941E-08
J1,K1,R1,R2,RAT=  10  10    0.2606749030E-01     1.974004065        0.9739325097    
FOB,PFOB,DIAG,PSTEP=    0.3269785841E-05    0.3357299071E-05     602.2063739       -0.5574798117E-08
J1,K1,R1,R2,RAT=  11  11   -0.2352346107E-02     2.002380932        0.9976476539    
FOB,PFOB,DIAG,PSTEP=   -0.2388423095E-05   -0.2382817963E-05     586.9994576        0.4059260830E-08
J1,K1,R1,R2,RAT= 109 109   -0.3594074480E-03     2.000268202        0.9996405926    
FOB,PFOB,DIAG,PSTEP=    0.7509285198E-04    0.7506587151E-04     13.86336858       -0.5414938977E-05
J1,K1,R1,R2,RAT= 110 110   -0.3249840923         240.3617394        0.6750159077    
FOB,PFOB,DIAG,PSTEP=   -0.1472884682E-01   -0.1468907195E-01     12.23901892        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.4207877032E-02     1.995605670        0.9956056697    
FOB,PFOB,DIAG,PSTEP=   -0.6586796619E-04   -0.6614632775E-04     10.06918937        0.6569793506E-05
J1,K1,R1,R2,RAT= 112 112     228.0168735       -0.9411302096        0.5886979039E-01
FOB,PFOB,DIAG,PSTEP=    0.2199839873E-01   -0.2181755021E-01     8.510583142        0.2257906306E-04
J1,K1,R1,R2,RAT= 113 113     213.6497276       -0.8102185591        0.1897814409    
FOB,PFOB,DIAG,PSTEP=   -0.4402538098E-01    0.4369272976E-01     6.038651640       -0.6799029872E-04
J1,K1,R1,R2,RAT= 114 114    -1233.365120        0.9648117373        0.3518826271E-01
FOB,PFOB,DIAG,PSTEP=   -0.8599109331        0.8585666375         3.483310707        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00003     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00002     -0.00003 
    -0.00002      0.00001     -0.00002      0.00003      0.00001      0.00002 
     0.00004      0.00002      0.00001     -0.00004      0.00002     -0.00001 
     0.00002      0.00001      0.00001      0.00003     -0.00001      0.00009 
     0.00003      0.00002      0.00008     -0.00001      0.00005      0.00002 
    -0.00001      0.00002      0.00003      0.00002      0.00001     -0.00006 
    -0.00001     -0.00002      0.00005      0.00002      0.00001     -0.00004 
    -0.00006     -0.00006      0.00003     -0.00006     -0.00000      0.00001 
     0.00003      0.00006      0.00011     -0.00007     -0.00001      0.00011 
     0.00005     -0.00015     -0.00007     -0.00005     -0.00005     -0.00001 
     0.00008     -0.01473     -0.00007      0.02200     -0.04403     -0.85991 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3968092553
 Log product of positive Hessian eigenvalues =          519.2448518493
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4833107068
 Unscaled step for mode    7=        0.0000000119
 Unscaled step for mode    8=        0.0000000123
 Unscaled step for mode    9=        0.0000000068
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000173
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000113
 Unscaled step for mode   15=       -0.0000000050
 Unscaled step for mode   16=       -0.0000000152
 Unscaled step for mode   17=       -0.0000000066
 Unscaled step for mode   18=       -0.0000000085
 Unscaled step for mode   19=        0.0000000486
 Unscaled step for mode   20=       -0.0000000069
 Unscaled step for mode   21=       -0.0000000082
 Unscaled step for mode   22=        0.0000000344
 Unscaled step for mode   23=       -0.0000000091
 Unscaled step for mode   24=        0.0000000221
 Unscaled step for mode   25=        0.0000000702
 Unscaled step for mode   26=        0.0000001081
 Unscaled step for mode   27=        0.0000000518
 Unscaled step for mode   28=       -0.0000000322
 Unscaled step for mode   29=       -0.0000001045
 Unscaled step for mode   30=        0.0000000774
 Unscaled step for mode   31=        0.0000000860
 Unscaled step for mode   32=        0.0000000473
 Unscaled step for mode   33=       -0.0000000553
 Unscaled step for mode   34=        0.0000000742
 Unscaled step for mode   35=       -0.0000000985
 Unscaled step for mode   36=       -0.0000001041
 Unscaled step for mode   37=       -0.0000000768
 Unscaled step for mode   38=       -0.0000000255
 Unscaled step for mode   39=        0.0000000904
 Unscaled step for mode   40=        0.0000001454
 Unscaled step for mode   41=        0.0000002140
 Unscaled step for mode   42=        0.0000001064
 Unscaled step for mode   43=        0.0000000910
 Unscaled step for mode   44=        0.0000002169
 Unscaled step for mode   45=       -0.0000000442
 Unscaled step for mode   46=       -0.0000001808
 Unscaled step for mode   47=        0.0000001286
 Unscaled step for mode   48=       -0.0000000287
 Unscaled step for mode   49=       -0.0000001686
 Unscaled step for mode   50=        0.0000000226
 Unscaled step for mode   51=        0.0000000990
 Unscaled step for mode   52=       -0.0000000501
 Unscaled step for mode   53=       -0.0000000872
 Unscaled step for mode   54=        0.0000001531
 Unscaled step for mode   55=        0.0000001525
 Unscaled step for mode   56=       -0.0000000578
 Unscaled step for mode   57=        0.0000001084
 Unscaled step for mode   58=       -0.0000001860
 Unscaled step for mode   59=       -0.0000000588
 Unscaled step for mode   60=       -0.0000001730
 Unscaled step for mode   61=       -0.0000002544
 Unscaled step for mode   62=       -0.0000001646
 Unscaled step for mode   63=       -0.0000000879
 Unscaled step for mode   64=        0.0000003402
 Unscaled step for mode   65=       -0.0000001692
 Unscaled step for mode   66=        0.0000000583
 Unscaled step for mode   67=       -0.0000001696
 Unscaled step for mode   68=       -0.0000000645
 Unscaled step for mode   69=       -0.0000000776
 Unscaled step for mode   70=       -0.0000003163
 Unscaled step for mode   71=        0.0000000660
 Unscaled step for mode   72=       -0.0000008205
 Unscaled step for mode   73=       -0.0000002615
 Unscaled step for mode   74=       -0.0000001938
 Unscaled step for mode   75=       -0.0000008337
 Unscaled step for mode   76=        0.0000001240
 Unscaled step for mode   77=       -0.0000005512
 Unscaled step for mode   78=       -0.0000001930
 Unscaled step for mode   79=        0.0000000620
 Unscaled step for mode   80=       -0.0000002224
 Unscaled step for mode   81=       -0.0000003892
 Unscaled step for mode   82=       -0.0000002752
 Unscaled step for mode   83=       -0.0000001578
 Unscaled step for mode   84=        0.0000008146
 Unscaled step for mode   85=        0.0000001909
 Unscaled step for mode   86=        0.0000003233
 Unscaled step for mode   87=       -0.0000007283
 Unscaled step for mode   88=       -0.0000003494
 Unscaled step for mode   89=       -0.0000002282
 Unscaled step for mode   90=        0.0000007566
 Unscaled step for mode   91=        0.0000009669
 Unscaled step for mode   92=        0.0000010923
 Unscaled step for mode   93=       -0.0000005405
 Unscaled step for mode   94=        0.0000010538
 Unscaled step for mode   95=        0.0000000492
 Unscaled step for mode   96=       -0.0000002936
 Unscaled step for mode   97=       -0.0000007992
 Unscaled step for mode   98=       -0.0000014123
 Unscaled step for mode   99=       -0.0000028893
 Unscaled step for mode  100=        0.0000020362
 Unscaled step for mode  101=        0.0000003183
 Unscaled step for mode  102=       -0.0000039336
 Unscaled step for mode  103=       -0.0000018509
 Unscaled step for mode  104=        0.0000057454
 Unscaled step for mode  105=        0.0000031689
 Unscaled step for mode  106=        0.0000023681
 Unscaled step for mode  107=        0.0000024637
 Unscaled step for mode  108=        0.0000008940
 Unscaled step for mode  109=       -0.0000054166
 Unscaled step for mode  110=        0.0012034319
 Unscaled step for mode  111=        0.0000065415
 Unscaled step for mode  112=       -0.0025848113
 Unscaled step for mode  113=        0.0072902104
 Unscaled step for mode  114=       -0.2334159817
 Largest modulus ratio of non-zero e/values=           213.1154088    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.912248E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.166393E-14    0.100676E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.405085E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.853286E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.824644E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.662041E-16    0.974125E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.881402E-05    0.742347E+03  0.118732E-07 0.100000E-04    0.996620E+00
   8   -0.828615E-05    0.674547E+03  0.122840E-07 0.100000E-04    0.986000E+00
   9   -0.426625E-05    0.628923E+03  0.678343E-08 0.100000E-04    0.970110E+00
  10    0.326979E-05    0.602206E+03 -0.542968E-08 0.100000E-04    0.973933E+00
  11   -0.238842E-05    0.586999E+03  0.406887E-08 0.100000E-04    0.997648E+00
  12   -0.100115E-04    0.577156E+03  0.173462E-07 0.100000E-04    0.978448E+00
  13   -0.346026E-05    0.566732E+03  0.610564E-08 0.100000E-04    0.984821E+00
  14    0.548642E-05    0.486537E+03 -0.112765E-07 0.100000E-04    0.975327E+00
  15    0.231814E-05    0.461885E+03 -0.501886E-08 0.100000E-04    0.989040E+00
  16    0.700727E-05    0.460424E+03 -0.152192E-07 0.100000E-04    0.988288E+00
  17    0.289579E-05    0.441765E+03 -0.655505E-08 0.100000E-04    0.949798E+00
  18    0.363231E-05    0.428847E+03 -0.846994E-08 0.100000E-04    0.990727E+00
  19   -0.205124E-04    0.422098E+03  0.485964E-07 0.100000E-04    0.997942E+00
  20    0.280671E-05    0.408559E+03 -0.686977E-08 0.100000E-04    0.969494E+00
  21    0.327209E-05    0.396714E+03 -0.824799E-08 0.100000E-04    0.967082E+00
  22   -0.133466E-04    0.388243E+03  0.343768E-07 0.100000E-04    0.997830E+00
  23    0.335131E-05    0.369295E+03 -0.907487E-08 0.100000E-04    0.944425E+00
  24   -0.796649E-05    0.360687E+03  0.220870E-07 0.100000E-04    0.991035E+00
  25   -0.245658E-04    0.349781E+03  0.702320E-07 0.100000E-04    0.999876E+00
  26   -0.362007E-04    0.334983E+03  0.108067E-06 0.100000E-04    0.997523E+00
  27   -0.170036E-04    0.328177E+03  0.518123E-07 0.100000E-04    0.998504E+00
  28    0.103515E-04    0.321804E+03 -0.321672E-07 0.100000E-04    0.991904E+00
  29    0.333486E-04    0.319263E+03 -0.104455E-06 0.100000E-04    0.999162E+00
  30   -0.240036E-04    0.310253E+03  0.773680E-07 0.100000E-04    0.993972E+00
  31   -0.259548E-04    0.301741E+03  0.860167E-07 0.100000E-04    0.990405E+00
  32   -0.137096E-04    0.290005E+03  0.472735E-07 0.100000E-04    0.993150E+00
  33    0.153927E-04    0.278341E+03 -0.553016E-07 0.100000E-04    0.991103E+00
  34   -0.201932E-04    0.271984E+03  0.742440E-07 0.100000E-04    0.998733E+00
  35    0.263852E-04    0.267970E+03 -0.984636E-07 0.100000E-04    0.994484E+00
  36    0.275571E-04    0.264757E+03 -0.104084E-06 0.100000E-04    0.993492E+00
  37    0.201577E-04    0.262353E+03 -0.768343E-07 0.100000E-04    0.994561E+00
  38    0.646353E-05    0.253630E+03 -0.254841E-07 0.100000E-04    0.990688E+00
  39   -0.218376E-04    0.241628E+03  0.903770E-07 0.100000E-04    0.997233E+00
  40   -0.349068E-04    0.240017E+03  0.145435E-06 0.100000E-04    0.994452E+00
  41   -0.500252E-04    0.233779E+03  0.213985E-06 0.100000E-04    0.998253E+00
  42   -0.242166E-04    0.227643E+03  0.106380E-06 0.100000E-04    0.990316E+00
  43   -0.197851E-04    0.217438E+03  0.909920E-07 0.100000E-04    0.997801E+00
  44   -0.465717E-04    0.214714E+03  0.216901E-06 0.100000E-04    0.992066E+00
  45    0.943097E-05    0.213180E+03 -0.442395E-07 0.100000E-04    0.990506E+00
  46    0.374816E-04    0.207297E+03 -0.180811E-06 0.100000E-04    0.996387E+00
  47   -0.261498E-04    0.203349E+03  0.128596E-06 0.100000E-04    0.998384E+00
  48    0.562659E-05    0.196230E+03 -0.286735E-07 0.100000E-04    0.968539E+00
  49    0.328465E-04    0.194791E+03 -0.168624E-06 0.100000E-04    0.993305E+00
  50   -0.431690E-05    0.191305E+03  0.225655E-07 0.100000E-04    0.884997E+00
  51   -0.181148E-04    0.183020E+03  0.989775E-07 0.100000E-04    0.998847E+00
  52    0.872309E-05    0.174064E+03 -0.501143E-07 0.100000E-04    0.997196E+00
  53    0.150235E-04    0.172330E+03 -0.871787E-07 0.100000E-04    0.996191E+00
  54   -0.257097E-04    0.167906E+03  0.153119E-06 0.100000E-04    0.994852E+00
  55   -0.249860E-04    0.163818E+03  0.152523E-06 0.100000E-04    0.998042E+00
  56    0.910761E-05    0.157448E+03 -0.578452E-07 0.100000E-04    0.999878E+00
  57   -0.167565E-04    0.154608E+03  0.108380E-06 0.100000E-04    0.997254E+00
  58    0.282932E-04    0.152104E+03 -0.186012E-06 0.100000E-04    0.998498E+00
  59    0.866246E-05    0.147338E+03 -0.587929E-07 0.100000E-04    0.998202E+00
  60    0.248225E-04    0.143513E+03 -0.172963E-06 0.100000E-04    0.999197E+00
  61    0.350219E-04    0.137666E+03 -0.254397E-06 0.100000E-04    0.988072E+00
  62    0.223759E-04    0.135918E+03 -0.164628E-06 0.100000E-04    0.998867E+00
  63    0.114682E-04    0.130474E+03 -0.878962E-07 0.100000E-04    0.950443E+00
  64   -0.437541E-04    0.128629E+03  0.340157E-06 0.100000E-04    0.999662E+00
  65    0.214292E-04    0.126653E+03 -0.169196E-06 0.100000E-04    0.981704E+00
  66   -0.727675E-05    0.124826E+03  0.582952E-07 0.100000E-04    0.963737E+00
  67    0.203417E-04    0.119936E+03 -0.169604E-06 0.100000E-04    0.983989E+00
  68    0.762621E-05    0.118152E+03 -0.645457E-07 0.100000E-04    0.990531E+00
  69    0.909041E-05    0.117100E+03 -0.776298E-07 0.100000E-04    0.986862E+00
  70    0.349241E-04    0.110399E+03 -0.316345E-06 0.100000E-04    0.989051E+00
  71   -0.706865E-05    0.107103E+03  0.659985E-07 0.100000E-04    0.996639E+00
  72    0.856859E-04    0.104430E+03 -0.820512E-06 0.100000E-04    0.998570E+00
  73    0.269243E-04    0.102954E+03 -0.261519E-06 0.100000E-04    0.993553E+00
  74    0.193164E-04    0.996476E+02 -0.193848E-06 0.100000E-04    0.984939E+00
  75    0.799978E-04    0.959538E+02 -0.833711E-06 0.100000E-04    0.996348E+00
  76   -0.116716E-04    0.941438E+02  0.123976E-06 0.100000E-04    0.949124E+00
  77    0.511789E-04    0.928446E+02 -0.551232E-06 0.100000E-04    0.997430E+00
  78    0.175655E-04    0.909909E+02 -0.193047E-06 0.100000E-04    0.980520E+00
  79   -0.550765E-05    0.889004E+02  0.619531E-07 0.100000E-04    0.980980E+00
  80    0.189900E-04    0.853850E+02 -0.222404E-06 0.100000E-04    0.995872E+00
  81    0.314696E-04    0.808484E+02 -0.389242E-06 0.100000E-04    0.995585E+00
  82    0.220547E-04    0.801336E+02 -0.275224E-06 0.100000E-04    0.982246E+00
  83    0.123253E-04    0.781144E+02 -0.157785E-06 0.100000E-04    0.978136E+00
  84   -0.596461E-04    0.732205E+02  0.814610E-06 0.100000E-04    0.990653E+00
  85   -0.138835E-04    0.727356E+02  0.190877E-06 0.100000E-04    0.942499E+00
  86   -0.220317E-04    0.681440E+02  0.323311E-06 0.100000E-04    0.995382E+00
  87    0.474833E-04    0.651965E+02 -0.728310E-06 0.100000E-04    0.995911E+00
  88    0.216944E-04    0.620890E+02 -0.349409E-06 0.100000E-04    0.997304E+00
  89    0.136879E-04    0.599727E+02 -0.228235E-06 0.100000E-04    0.946322E+00
  90   -0.449307E-04    0.593847E+02  0.756604E-06 0.100000E-04    0.999008E+00
  91   -0.566266E-04    0.585680E+02  0.966853E-06 0.100000E-04    0.993487E+00
  92   -0.611763E-04    0.560082E+02  0.109228E-05 0.100000E-04    0.991539E+00
  93    0.283965E-04    0.525410E+02 -0.540464E-06 0.100000E-04    0.979616E+00
  94   -0.550687E-04    0.522577E+02  0.105379E-05 0.100000E-04    0.993741E+00
  95   -0.246041E-05    0.500238E+02  0.491848E-07 0.100000E-04    0.733162E+00
  96    0.137100E-04    0.467008E+02 -0.293571E-06 0.100000E-04    0.999406E+00
  97    0.343940E-04    0.430365E+02 -0.799182E-06 0.100000E-04    0.966269E+00
  98    0.575673E-04    0.407611E+02 -0.141231E-05 0.100000E-04    0.992916E+00
  99    0.109430E-03    0.378741E+02 -0.288931E-05 0.100000E-04    0.989613E+00
 100   -0.742032E-04    0.364420E+02  0.203620E-05 0.100000E-04    0.998973E+00
 101   -0.104850E-04    0.329411E+02  0.318294E-06 0.100000E-04    0.860240E+00
 102    0.113251E-03    0.287904E+02 -0.393363E-05 0.100000E-04    0.995865E+00
 103    0.527197E-04    0.284827E+02 -0.185094E-05 0.100000E-04    0.994084E+00
 104   -0.152141E-03    0.264805E+02  0.574538E-05 0.100000E-04    0.995364E+00
 105   -0.736758E-04    0.232498E+02  0.316887E-05 0.100000E-04    0.997948E+00
 106   -0.500918E-04    0.211528E+02  0.236809E-05 0.100000E-04    0.987947E+00
 107   -0.498208E-04    0.202220E+02  0.246369E-05 0.100000E-04    0.894748E+00
 108   -0.148791E-04    0.166442E+02  0.893952E-06 0.100000E-04    0.711100E+00
 109    0.750929E-04    0.138634E+02 -0.541664E-05 0.100000E-04    0.999641E+00
 110   -0.147288E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.675016E+00
 111   -0.658680E-04    0.100692E+02  0.654154E-05 0.100000E-04    0.995606E+00
 112    0.219984E-01    0.851058E+01 -0.246112E-04 0.246112E-04    0.588698E-01
 113   -0.440254E-01    0.603865E+01  0.741094E-04 0.741094E-04    0.189781E+00
 114   -0.859911E+00    0.348331E+01 -0.400000E-03 0.400000E-03    0.351883E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2334159817    

 Beginning of optimization cycle  466.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3152181480
 potential> RMS force:                                               0.0808089520   |gradient|=.8628035042    
 Eigenvalues of the Hessian matrix:
   742.41980    674.55074    628.94374    602.18429    586.99092    577.19570 
   566.72049    486.56293    461.86236    460.41549    441.76799    428.84423 
   422.09739    408.55761    396.70892    388.23368    369.30914    360.68093 
   349.77232    334.98452    328.19654    321.80875    319.25024    310.24061 
   301.72120    290.01657    278.34237    271.99767    267.97797    264.75851 
   262.38055    253.62278    241.62343    240.03045    233.77550    227.63528 
   217.42094    214.71905    213.18499    207.30078    203.34406    196.21761 
   194.78843    191.30437    183.01215    174.06216    172.32996    167.91083 
   163.80721    157.43587    154.61256    152.10908    147.32727    143.51358 
   137.67212    135.91727    130.47278    128.63286    126.65791    124.81730 
   119.93720    118.15242    117.09844    110.39581    107.09915    104.42817 
   102.95111     99.64641     95.95823     94.14718     92.82648     90.99409 
    88.89300     85.38804     80.84764     80.13707     78.11246     73.22467 
    72.73732     68.14223     65.18933     62.07543     59.97245     59.38484 
    58.55970     56.00698     52.54029     52.25577     50.02464     46.69265 
    43.04005     40.76411     37.87599     36.44236     32.92822     28.79080 
    28.48157     26.47409     23.25153     21.15687     20.21376     16.64162 
    13.86401     12.23902     10.07010      8.51191      6.03038      3.47744 
overlap for current and previous eigenvector    109 is         0.9999997762
overlap for current and previous eigenvector    110 is         0.9999997661
overlap for current and previous eigenvector    111 is         0.9999997239
overlap for current and previous eigenvector    112 is         0.9999997255
overlap for current and previous eigenvector    113 is        -0.9999991728
overlap for current and previous eigenvector    114 is         0.9999993461
J1,K1,R1,R2,RAT=   7   7   -0.4396429272E-02     2.004200807        0.9956035707    
FOB,PFOB,DIAG,PSTEP=   -0.8852774481E-05   -0.8814020473E-05     742.4198023        0.1187317827E-07
J1,K1,R1,R2,RAT=   8   8   -0.1300414524E-01     2.012992747        0.9869958548    
FOB,PFOB,DIAG,PSTEP=   -0.8393906106E-05   -0.8286151178E-05     674.5507430        0.1228402532E-07
J1,K1,R1,R2,RAT=   9   9   -0.5543748834E-01     2.055371349        0.9445625117    
FOB,PFOB,DIAG,PSTEP=   -0.4502770370E-05   -0.4266252240E-05     628.9437415        0.6783425999E-08
J1,K1,R1,R2,RAT=  10  10    0.1770309485E-02     1.998303050        0.9982296905    
FOB,PFOB,DIAG,PSTEP=    0.3263997521E-05    0.3269785841E-05     602.1842861       -0.5429676574E-08
J1,K1,R1,R2,RAT=  11  11    0.2103771354E-01     1.978991384        0.9789622865    
FOB,PFOB,DIAG,PSTEP=   -0.2338176865E-05   -0.2388423095E-05     586.9909176        0.4068867635E-08
J1,K1,R1,R2,RAT= 109 109   -0.2262781627E-01     2.022534661        0.9773721837    
FOB,PFOB,DIAG,PSTEP=    0.7679211838E-04    0.7509285198E-04     13.86401433       -0.5416638211E-05
J1,K1,R1,R2,RAT= 110 110   -0.2940098220         240.9807552        0.7059901780    
FOB,PFOB,DIAG,PSTEP=   -0.1476483073E-01   -0.1472884682E-01     12.23901781        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1954018293E-01     2.019360069        0.9804598171    
FOB,PFOB,DIAG,PSTEP=   -0.6715515422E-04   -0.6586796619E-04     10.07009625        0.6541536143E-05
J1,K1,R1,R2,RAT= 112 112   -0.8604990392         210.8810711        0.1395009608    
FOB,PFOB,DIAG,PSTEP=    0.2217866298E-01    0.2199839873E-01     8.511905896       -0.2461117874E-04
J1,K1,R1,R2,RAT= 113 113     197.8180178       -0.7958105065        0.2041894935    
FOB,PFOB,DIAG,PSTEP=    0.4438103490E-01   -0.4402538098E-01     6.030377379        0.7410942561E-04
J1,K1,R1,R2,RAT= 114 114    0.9620988012        -1237.375665        0.3790119875E-01
FOB,PFOB,DIAG,PSTEP=   -0.8612491897       -0.8599109331         3.477440546       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00001      0.00003 
    -0.00003     -0.00001      0.00002      0.00003     -0.00001     -0.00002 
     0.00003      0.00002     -0.00001      0.00004      0.00002     -0.00001 
     0.00002      0.00001      0.00001     -0.00004      0.00001      0.00009 
     0.00003      0.00002      0.00008     -0.00001     -0.00005     -0.00002 
    -0.00001      0.00002      0.00003      0.00002     -0.00001      0.00006 
     0.00001      0.00002      0.00005      0.00002      0.00001     -0.00004 
    -0.00006     -0.00006      0.00003     -0.00005     -0.00000      0.00001 
    -0.00003     -0.00006     -0.00011     -0.00007      0.00001     -0.00011 
    -0.00005      0.00015     -0.00007     -0.00005      0.00005     -0.00002 
     0.00008     -0.01476     -0.00007      0.02218      0.04438     -0.86125 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3965348183
 Log product of positive Hessian eigenvalues =          519.2403881766
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4774405460
 Unscaled step for mode    7=        0.0000000119
 Unscaled step for mode    8=        0.0000000124
 Unscaled step for mode    9=        0.0000000072
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000179
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000116
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000150
 Unscaled step for mode   17=       -0.0000000061
 Unscaled step for mode   18=       -0.0000000081
 Unscaled step for mode   19=        0.0000000485
 Unscaled step for mode   20=       -0.0000000064
 Unscaled step for mode   21=       -0.0000000078
 Unscaled step for mode   22=        0.0000000348
 Unscaled step for mode   23=       -0.0000000097
 Unscaled step for mode   24=        0.0000000225
 Unscaled step for mode   25=        0.0000000700
 Unscaled step for mode   26=        0.0000001077
 Unscaled step for mode   27=        0.0000000513
 Unscaled step for mode   28=       -0.0000000317
 Unscaled step for mode   29=       -0.0000001044
 Unscaled step for mode   30=        0.0000000781
 Unscaled step for mode   31=        0.0000000867
 Unscaled step for mode   32=        0.0000000483
 Unscaled step for mode   33=       -0.0000000552
 Unscaled step for mode   34=        0.0000000743
 Unscaled step for mode   35=       -0.0000000991
 Unscaled step for mode   36=       -0.0000001054
 Unscaled step for mode   37=       -0.0000000762
 Unscaled step for mode   38=       -0.0000000257
 Unscaled step for mode   39=        0.0000000899
 Unscaled step for mode   40=        0.0000001470
 Unscaled step for mode   41=        0.0000002145
 Unscaled step for mode   42=        0.0000001083
 Unscaled step for mode   43=        0.0000000909
 Unscaled step for mode   44=        0.0000002193
 Unscaled step for mode   45=       -0.0000000452
 Unscaled step for mode   46=       -0.0000001817
 Unscaled step for mode   47=        0.0000001290
 Unscaled step for mode   48=       -0.0000000273
 Unscaled step for mode   49=       -0.0000001692
 Unscaled step for mode   50=        0.0000000200
 Unscaled step for mode   51=        0.0000000983
 Unscaled step for mode   52=       -0.0000000496
 Unscaled step for mode   53=       -0.0000000866
 Unscaled step for mode   54=       -0.0000001530
 Unscaled step for mode   55=        0.0000001535
 Unscaled step for mode   56=        0.0000000601
 Unscaled step for mode   57=       -0.0000001074
 Unscaled step for mode   58=       -0.0000001867
 Unscaled step for mode   59=        0.0000000600
 Unscaled step for mode   60=        0.0000001718
 Unscaled step for mode   61=       -0.0000002512
 Unscaled step for mode   62=       -0.0000001651
 Unscaled step for mode   63=        0.0000000830
 Unscaled step for mode   64=       -0.0000003400
 Unscaled step for mode   65=       -0.0000001651
 Unscaled step for mode   66=        0.0000000568
 Unscaled step for mode   67=       -0.0000001739
 Unscaled step for mode   68=       -0.0000000632
 Unscaled step for mode   69=       -0.0000000771
 Unscaled step for mode   70=        0.0000003187
 Unscaled step for mode   71=       -0.0000000669
 Unscaled step for mode   72=       -0.0000008211
 Unscaled step for mode   73=       -0.0000002589
 Unscaled step for mode   74=       -0.0000001918
 Unscaled step for mode   75=       -0.0000008294
 Unscaled step for mode   76=        0.0000001177
 Unscaled step for mode   77=        0.0000005549
 Unscaled step for mode   78=        0.0000001902
 Unscaled step for mode   79=        0.0000000622
 Unscaled step for mode   80=       -0.0000002213
 Unscaled step for mode   81=       -0.0000003922
 Unscaled step for mode   82=       -0.0000002794
 Unscaled step for mode   83=        0.0000001543
 Unscaled step for mode   84=       -0.0000008091
 Unscaled step for mode   85=       -0.0000001793
 Unscaled step for mode   86=       -0.0000003195
 Unscaled step for mode   87=       -0.0000007225
 Unscaled step for mode   88=       -0.0000003598
 Unscaled step for mode   89=       -0.0000002398
 Unscaled step for mode   90=        0.0000007540
 Unscaled step for mode   91=        0.0000009510
 Unscaled step for mode   92=        0.0000010974
 Unscaled step for mode   93=       -0.0000005583
 Unscaled step for mode   94=        0.0000010516
 Unscaled step for mode   95=        0.0000000383
 Unscaled step for mode   96=       -0.0000002888
 Unscaled step for mode   97=        0.0000007684
 Unscaled step for mode   98=        0.0000014022
 Unscaled step for mode   99=        0.0000028563
 Unscaled step for mode  100=        0.0000020128
 Unscaled step for mode  101=       -0.0000002415
 Unscaled step for mode  102=        0.0000039187
 Unscaled step for mode  103=        0.0000018680
 Unscaled step for mode  104=       -0.0000057759
 Unscaled step for mode  105=        0.0000031059
 Unscaled step for mode  106=        0.0000022370
 Unscaled step for mode  107=       -0.0000026448
 Unscaled step for mode  108=        0.0000011862
 Unscaled step for mode  109=       -0.0000055390
 Unscaled step for mode  110=        0.0012063721
 Unscaled step for mode  111=        0.0000066688
 Unscaled step for mode  112=       -0.0026055871
 Unscaled step for mode  113=       -0.0073591798
 Unscaled step for mode  114=       -0.2340952282
 Largest modulus ratio of non-zero e/values=           213.4960447    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.940437E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.140025E-14    0.100676E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.223574E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.771952E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.998372E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.444333E-15    0.974127E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.885277E-05    0.742420E+03  0.119242E-07 0.100000E-04    0.995604E+00
   8   -0.839391E-05    0.674551E+03  0.124437E-07 0.100000E-04    0.986996E+00
   9   -0.450277E-05    0.628944E+03  0.715926E-08 0.100000E-04    0.944563E+00
  10    0.326400E-05    0.602184E+03 -0.542026E-08 0.100000E-04    0.998230E+00
  11   -0.233818E-05    0.586991E+03  0.398333E-08 0.100000E-04    0.978962E+00
  12   -0.103359E-04    0.577196E+03  0.179071E-07 0.100000E-04    0.967595E+00
  13   -0.342386E-05    0.566720E+03  0.604152E-08 0.100000E-04    0.989478E+00
  14    0.564578E-05    0.486563E+03 -0.116034E-07 0.100000E-04    0.970955E+00
  15    0.221980E-05    0.461862E+03 -0.480619E-08 0.100000E-04    0.957575E+00
  16    0.690601E-05    0.460415E+03 -0.149995E-07 0.100000E-04    0.985548E+00
  17    0.269153E-05    0.441768E+03 -0.609264E-08 0.100000E-04    0.929451E+00
  18    0.347169E-05    0.428844E+03 -0.809546E-08 0.100000E-04    0.955781E+00
  19   -0.204635E-04    0.422097E+03  0.484805E-07 0.100000E-04    0.997614E+00
  20    0.262833E-05    0.408558E+03 -0.643319E-08 0.100000E-04    0.936446E+00
  21    0.309858E-05    0.396709E+03 -0.781072E-08 0.100000E-04    0.946971E+00
  22   -0.135001E-04    0.388234E+03  0.347732E-07 0.100000E-04    0.988492E+00
  23    0.359899E-05    0.369309E+03 -0.974520E-08 0.100000E-04    0.926096E+00
  24   -0.811789E-05    0.360681E+03  0.225071E-07 0.100000E-04    0.980995E+00
  25   -0.244817E-04    0.349772E+03  0.699932E-07 0.100000E-04    0.996575E+00
  26   -0.360702E-04    0.334985E+03  0.107677E-06 0.100000E-04    0.996389E+00
  27   -0.168301E-04    0.328197E+03  0.512806E-07 0.100000E-04    0.989678E+00
  28    0.101922E-04    0.321809E+03 -0.316717E-07 0.100000E-04    0.984584E+00
  29    0.333206E-04    0.319250E+03 -0.104371E-06 0.100000E-04    0.999161E+00
  30   -0.242205E-04    0.310241E+03  0.780700E-07 0.100000E-04    0.990965E+00
  31   -0.261551E-04    0.301721E+03  0.866863E-07 0.100000E-04    0.992280E+00
  32   -0.140125E-04    0.290017E+03  0.483161E-07 0.100000E-04    0.977906E+00
  33    0.153546E-04    0.278342E+03 -0.551645E-07 0.100000E-04    0.997517E+00
  34   -0.202198E-04    0.271998E+03  0.743382E-07 0.100000E-04    0.998682E+00
  35    0.265568E-04    0.267978E+03 -0.991005E-07 0.100000E-04    0.993500E+00
  36    0.278974E-04    0.264759E+03 -0.105369E-06 0.100000E-04    0.987651E+00
  37    0.199864E-04    0.262381E+03 -0.761734E-07 0.100000E-04    0.991296E+00
  38    0.652618E-05    0.253623E+03 -0.257318E-07 0.100000E-04    0.990307E+00
  39   -0.217300E-04    0.241623E+03  0.899333E-07 0.100000E-04    0.995070E+00
  40   -0.352915E-04    0.240030E+03  0.147029E-06 0.100000E-04    0.988981E+00
  41   -0.501472E-04    0.233775E+03  0.214510E-06 0.100000E-04    0.997562E+00
  42   -0.246426E-04    0.227635E+03  0.108255E-06 0.100000E-04    0.982410E+00
  43   -0.197640E-04    0.217421E+03  0.909020E-07 0.100000E-04    0.998932E+00
  44   -0.470887E-04    0.214719E+03  0.219304E-06 0.100000E-04    0.988898E+00
  45    0.963025E-05    0.213185E+03 -0.451732E-07 0.100000E-04    0.978869E+00
  46    0.376610E-04    0.207301E+03 -0.181673E-06 0.100000E-04    0.995214E+00
  47   -0.262322E-04    0.203344E+03  0.129004E-06 0.100000E-04    0.996849E+00
  48    0.535769E-05    0.196218E+03 -0.273048E-07 0.100000E-04    0.952206E+00
  49    0.329663E-04    0.194788E+03 -0.169242E-06 0.100000E-04    0.996352E+00
  50   -0.383014E-05    0.191304E+03  0.200212E-07 0.100000E-04    0.887243E+00
  51   -0.179942E-04    0.183012E+03  0.983227E-07 0.100000E-04    0.993343E+00
  52    0.862572E-05    0.174062E+03 -0.495554E-07 0.100000E-04    0.988838E+00
  53    0.149179E-04    0.172330E+03 -0.865657E-07 0.100000E-04    0.992968E+00
  54    0.256905E-04    0.167911E+03 -0.153001E-06 0.100000E-04    0.999203E+00
  55   -0.251493E-04    0.163807E+03  0.153530E-06 0.100000E-04    0.993460E+00
  56   -0.946286E-05    0.157436E+03  0.601061E-07 0.100000E-04    0.960991E+00
  57    0.166018E-04    0.154613E+03 -0.107377E-06 0.100000E-04    0.990713E+00
  58    0.283936E-04    0.152109E+03 -0.186666E-06 0.100000E-04    0.996454E+00
  59   -0.884634E-05    0.147327E+03  0.600455E-07 0.100000E-04    0.978771E+00
  60   -0.246555E-04    0.143514E+03  0.171799E-06 0.100000E-04    0.993266E+00
  61    0.345879E-04    0.137672E+03 -0.251234E-06 0.100000E-04    0.987526E+00
  62    0.224423E-04    0.135917E+03 -0.165118E-06 0.100000E-04    0.997030E+00
  63   -0.108354E-04    0.130473E+03  0.830472E-07 0.100000E-04    0.944821E+00
  64    0.437347E-04    0.128633E+03 -0.339996E-06 0.100000E-04    0.999502E+00
  65    0.209060E-04    0.126658E+03 -0.165059E-06 0.100000E-04    0.975511E+00
  66   -0.708882E-05    0.124817E+03  0.567936E-07 0.100000E-04    0.974173E+00
  67    0.208560E-04    0.119937E+03 -0.173891E-06 0.100000E-04    0.974720E+00
  68    0.746616E-05    0.118152E+03 -0.631909E-07 0.100000E-04    0.979008E+00
  69    0.902969E-05    0.117098E+03 -0.771120E-07 0.100000E-04    0.993320E+00
  70   -0.351857E-04    0.110396E+03  0.318723E-06 0.100000E-04    0.992509E+00
  71    0.716010E-05    0.107099E+03 -0.668549E-07 0.100000E-04    0.987062E+00
  72    0.857422E-04    0.104428E+03 -0.821064E-06 0.100000E-04    0.999343E+00
  73    0.266497E-04    0.102951E+03 -0.258858E-06 0.100000E-04    0.989802E+00
  74    0.191129E-04    0.996464E+02 -0.191807E-06 0.100000E-04    0.989460E+00
  75    0.795906E-04    0.959582E+02 -0.829430E-06 0.100000E-04    0.994819E+00
  76   -0.110778E-04    0.941472E+02  0.117665E-06 0.100000E-04    0.949060E+00
  77   -0.515076E-04    0.928265E+02  0.554881E-06 0.100000E-04    0.993576E+00
  78   -0.173054E-04    0.909941E+02  0.190181E-06 0.100000E-04    0.985117E+00
  79   -0.552499E-05    0.888930E+02  0.621532E-07 0.100000E-04    0.996852E+00
  80    0.188968E-04    0.853880E+02 -0.221305E-06 0.100000E-04    0.995022E+00
  81    0.317046E-04    0.808476E+02 -0.392153E-06 0.100000E-04    0.992531E+00
  82    0.223897E-04    0.801371E+02 -0.279392E-06 0.100000E-04    0.984812E+00
  83   -0.120543E-04    0.781125E+02  0.154320E-06 0.100000E-04    0.978014E+00
  84    0.592427E-04    0.732247E+02 -0.809054E-06 0.100000E-04    0.993122E+00
  85    0.130406E-04    0.727373E+02 -0.179283E-06 0.100000E-04    0.939240E+00
  86    0.217744E-04    0.681422E+02 -0.319544E-06 0.100000E-04    0.988323E+00
  87    0.470961E-04    0.651893E+02 -0.722452E-06 0.100000E-04    0.991846E+00
  88    0.223362E-04    0.620754E+02 -0.359824E-06 0.100000E-04    0.970411E+00
  89    0.143800E-04    0.599725E+02 -0.239777E-06 0.100000E-04    0.949434E+00
  90   -0.447763E-04    0.593848E+02  0.754002E-06 0.100000E-04    0.996558E+00
  91   -0.556901E-04    0.585597E+02  0.950997E-06 0.100000E-04    0.983459E+00
  92   -0.614611E-04    0.560070E+02  0.109738E-05 0.100000E-04    0.995345E+00
  93    0.293327E-04    0.525403E+02 -0.558289E-06 0.100000E-04    0.967033E+00
  94   -0.549524E-04    0.522558E+02  0.105160E-05 0.100000E-04    0.997889E+00
  95   -0.191682E-05    0.500246E+02  0.383174E-07 0.100000E-04    0.779034E+00
  96    0.134869E-04    0.466927E+02 -0.288844E-06 0.100000E-04    0.983724E+00
  97   -0.330722E-04    0.430401E+02  0.768406E-06 0.100000E-04    0.961409E+00
  98   -0.571583E-04    0.407641E+02  0.140217E-05 0.100000E-04    0.992748E+00
  99   -0.108186E-03    0.378760E+02  0.285632E-05 0.100000E-04    0.988534E+00
 100   -0.733512E-04    0.364424E+02  0.201280E-05 0.100000E-04    0.988496E+00
 101    0.795278E-05    0.329282E+02 -0.241519E-06 0.100000E-04    0.758400E+00
 102   -0.112822E-03    0.287908E+02  0.391870E-05 0.100000E-04    0.996190E+00
 103   -0.532034E-04    0.284816E+02  0.186799E-05 0.100000E-04    0.990825E+00
 104    0.152911E-03    0.264741E+02 -0.577586E-05 0.100000E-04    0.994939E+00
 105   -0.722168E-04    0.232515E+02  0.310589E-05 0.100000E-04    0.980053E+00
 106   -0.473278E-04    0.211569E+02  0.223699E-05 0.100000E-04    0.944449E+00
 107    0.534613E-04    0.202138E+02 -0.264480E-05 0.100000E-04    0.926897E+00
 108   -0.197409E-04    0.166416E+02  0.118624E-05 0.100000E-04    0.673192E+00
 109    0.767921E-04    0.138640E+02 -0.553895E-05 0.100000E-04    0.977372E+00
 110   -0.147648E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.705990E+00
 111   -0.671552E-04    0.100701E+02  0.666877E-05 0.100000E-04    0.980460E+00
 112    0.221787E-01    0.851191E+01 -0.268262E-04 0.268262E-04    0.139501E+00
 113    0.443810E-01    0.603038E+01 -0.667652E-04 0.667652E-04    0.204189E+00
 114   -0.861249E+00    0.347744E+01 -0.400000E-03 0.400000E-03    0.379012E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2340952282    

 Beginning of optimization cycle  467.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3148770609
 potential> RMS force:                                               0.0809361951   |gradient|=.8641620882    
 Eigenvalues of the Hessian matrix:
   742.49208    674.55531    628.96422    602.16187    586.98280    577.23469 
   566.70915    486.58922    461.83945    460.40742    441.77145    428.84104 
   422.09676    408.55665    396.70408    388.22473    369.32293    360.67467 
   349.76348    334.98546    328.21625    321.81327    319.23674    310.22850 
   301.70123    290.02810    278.34307    272.01087    267.98616    264.75947 
   262.40709    253.61580    241.61829    240.04341    233.77173    227.62739 
   217.40391    214.72436    213.19007    207.30479    203.33953    196.20518 
   194.78535    191.30323    183.00429    174.06049    172.32982    167.91503 
   163.79682    157.42383    154.61659    152.11418    147.31632    143.51428 
   137.67764    135.91639    130.47145    128.63623    126.66271    124.80906 
   119.93817    118.15276    117.09742    110.39285    107.09525    104.42668 
   102.94871     99.64527     95.96277     94.15054     92.80841     90.99720 
    88.88571     85.39094     80.84685     80.14031     78.11059     73.22904 
    72.73922     68.14065     65.18234     62.06193     59.97211     59.38512 
    58.55154     56.00595     52.53968     52.25401     50.02541     46.68462 
    43.04346     40.76715     37.87797     36.44311     32.91542     28.79119 
    28.48043     26.46763     23.25315     21.16105     20.20542     16.63912 
    13.86466     12.23903     10.07099      8.51303      6.02209      3.47158 
overlap for current and previous eigenvector    109 is         0.9999997894
overlap for current and previous eigenvector    110 is         0.9999997733
overlap for current and previous eigenvector    111 is         0.9999997433
overlap for current and previous eigenvector    112 is         0.9999997409
overlap for current and previous eigenvector    113 is        -0.9999992241
overlap for current and previous eigenvector    114 is         0.9999994016
J1,K1,R1,R2,RAT=   7   7   -0.4598883684E-02     2.004404183        0.9954011163    
FOB,PFOB,DIAG,PSTEP=   -0.8893491325E-05   -0.8852774481E-05     742.4920841        0.1192421653E-07
J1,K1,R1,R2,RAT=   8   8    0.1057071552E-01     1.989415739        0.9894157385    
FOB,PFOB,DIAG,PSTEP=   -0.8305175911E-05   -0.8393906106E-05     674.5553117        0.1244369856E-07
J1,K1,R1,R2,RAT=   9   9    0.2173185817E-01     1.978203030        0.9782030296    
FOB,PFOB,DIAG,PSTEP=   -0.4404913617E-05   -0.4502770370E-05     628.9642181        0.7159257773E-08
J1,K1,R1,R2,RAT=  10  10   -0.4129480936E-01     2.041369259        0.9587051906    
FOB,PFOB,DIAG,PSTEP=    0.3398778659E-05    0.3263997521E-05     602.1618706       -0.5420263524E-08
J1,K1,R1,R2,RAT=  11  11   -0.2667578264E-01     2.026703445        0.9733242174    
FOB,PFOB,DIAG,PSTEP=   -0.2400548700E-05   -0.2338176865E-05     586.9827989        0.3983327161E-08
J1,K1,R1,R2,RAT= 109 109    0.8117429337E-02     1.991788995        0.9917889952    
FOB,PFOB,DIAG,PSTEP=    0.7616873462E-04    0.7679211838E-04     13.86466303       -0.5538952611E-05
J1,K1,R1,R2,RAT= 110 110   -0.3402139156         241.6146765        0.6597860844    
FOB,PFOB,DIAG,PSTEP=   -0.1480646963E-01   -0.1476483073E-01     12.23903315        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1918741933E-02     1.997903855        0.9979038549    
FOB,PFOB,DIAG,PSTEP=   -0.6702628938E-04   -0.6715515422E-04     10.07098957        0.6668769844E-05
J1,K1,R1,R2,RAT= 112 112   -0.6630521200         194.8956472        0.3369478800    
FOB,PFOB,DIAG,PSTEP=    0.2233008566E-01    0.2217866298E-01     8.513033300       -0.2682618482E-04
J1,K1,R1,R2,RAT= 113 113     221.6430591       -0.8781513960        0.1218486040    
FOB,PFOB,DIAG,PSTEP=   -0.4473410975E-01    0.4438103490E-01     6.022085432       -0.6676524830E-04
J1,K1,R1,R2,RAT= 114 114    0.9636640534        -1241.393563        0.3633594656E-01
FOB,PFOB,DIAG,PSTEP=   -0.8625873627       -0.8612491897         3.471575421       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00002     -0.00003 
    -0.00003      0.00001      0.00002     -0.00003     -0.00001      0.00002 
    -0.00004     -0.00002     -0.00001      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001      0.00003      0.00001     -0.00009 
    -0.00003     -0.00002     -0.00008     -0.00001      0.00005      0.00002 
     0.00001     -0.00002     -0.00003      0.00002     -0.00001      0.00006 
    -0.00001     -0.00002      0.00005      0.00002      0.00001     -0.00004 
     0.00006      0.00006      0.00003     -0.00006     -0.00000     -0.00001 
    -0.00003      0.00006      0.00011      0.00007      0.00001     -0.00011 
     0.00005     -0.00015     -0.00007     -0.00005     -0.00005     -0.00002 
     0.00008     -0.01481     -0.00007      0.02233     -0.04473     -0.86259 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3962497202
 Log product of positive Hessian eigenvalues =          519.2359260787
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4715754205
 Unscaled step for mode    7=        0.0000000120
 Unscaled step for mode    8=        0.0000000123
 Unscaled step for mode    9=        0.0000000070
 Unscaled step for mode   10=       -0.0000000056
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000176
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000115
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000152
 Unscaled step for mode   17=       -0.0000000065
 Unscaled step for mode   18=       -0.0000000082
 Unscaled step for mode   19=        0.0000000488
 Unscaled step for mode   20=       -0.0000000066
 Unscaled step for mode   21=       -0.0000000080
 Unscaled step for mode   22=        0.0000000348
 Unscaled step for mode   23=       -0.0000000092
 Unscaled step for mode   24=        0.0000000225
 Unscaled step for mode   25=        0.0000000702
 Unscaled step for mode   26=        0.0000001080
 Unscaled step for mode   27=        0.0000000514
 Unscaled step for mode   28=       -0.0000000319
 Unscaled step for mode   29=       -0.0000001053
 Unscaled step for mode   30=        0.0000000772
 Unscaled step for mode   31=        0.0000000861
 Unscaled step for mode   32=        0.0000000482
 Unscaled step for mode   33=       -0.0000000558
 Unscaled step for mode   34=        0.0000000750
 Unscaled step for mode   35=       -0.0000000984
 Unscaled step for mode   36=       -0.0000001052
 Unscaled step for mode   37=       -0.0000000763
 Unscaled step for mode   38=       -0.0000000258
 Unscaled step for mode   39=        0.0000000903
 Unscaled step for mode   40=        0.0000001474
 Unscaled step for mode   41=        0.0000002143
 Unscaled step for mode   42=        0.0000001075
 Unscaled step for mode   43=        0.0000000897
 Unscaled step for mode   44=        0.0000002186
 Unscaled step for mode   45=       -0.0000000465
 Unscaled step for mode   46=       -0.0000001816
 Unscaled step for mode   47=        0.0000001280
 Unscaled step for mode   48=       -0.0000000283
 Unscaled step for mode   49=       -0.0000001682
 Unscaled step for mode   50=        0.0000000233
 Unscaled step for mode   51=        0.0000000982
 Unscaled step for mode   52=       -0.0000000501
 Unscaled step for mode   53=       -0.0000000871
 Unscaled step for mode   54=        0.0000001529
 Unscaled step for mode   55=        0.0000001536
 Unscaled step for mode   56=       -0.0000000601
 Unscaled step for mode   57=       -0.0000001087
 Unscaled step for mode   58=        0.0000001864
 Unscaled step for mode   59=        0.0000000606
 Unscaled step for mode   60=       -0.0000001721
 Unscaled step for mode   61=        0.0000002554
 Unscaled step for mode   62=        0.0000001642
 Unscaled step for mode   63=        0.0000000864
 Unscaled step for mode   64=       -0.0000003419
 Unscaled step for mode   65=        0.0000001685
 Unscaled step for mode   66=       -0.0000000574
 Unscaled step for mode   67=        0.0000001723
 Unscaled step for mode   68=        0.0000000636
 Unscaled step for mode   69=       -0.0000000790
 Unscaled step for mode   70=       -0.0000003151
 Unscaled step for mode   71=       -0.0000000657
 Unscaled step for mode   72=        0.0000008259
 Unscaled step for mode   73=        0.0000002594
 Unscaled step for mode   74=        0.0000001932
 Unscaled step for mode   75=        0.0000008303
 Unscaled step for mode   76=        0.0000001159
 Unscaled step for mode   77=       -0.0000005604
 Unscaled step for mode   78=       -0.0000001895
 Unscaled step for mode   79=       -0.0000000624
 Unscaled step for mode   80=        0.0000002189
 Unscaled step for mode   81=        0.0000003921
 Unscaled step for mode   82=       -0.0000002760
 Unscaled step for mode   83=        0.0000001499
 Unscaled step for mode   84=       -0.0000008203
 Unscaled step for mode   85=        0.0000001851
 Unscaled step for mode   86=        0.0000003251
 Unscaled step for mode   87=       -0.0000007306
 Unscaled step for mode   88=       -0.0000003628
 Unscaled step for mode   89=       -0.0000002328
 Unscaled step for mode   90=        0.0000007507
 Unscaled step for mode   91=       -0.0000009685
 Unscaled step for mode   92=       -0.0000010848
 Unscaled step for mode   93=       -0.0000005629
 Unscaled step for mode   94=        0.0000010559
 Unscaled step for mode   95=        0.0000000513
 Unscaled step for mode   96=        0.0000003028
 Unscaled step for mode   97=        0.0000008011
 Unscaled step for mode   98=       -0.0000014190
 Unscaled step for mode   99=       -0.0000028854
 Unscaled step for mode  100=       -0.0000020148
 Unscaled step for mode  101=       -0.0000002950
 Unscaled step for mode  102=        0.0000039523
 Unscaled step for mode  103=       -0.0000018614
 Unscaled step for mode  104=        0.0000058345
 Unscaled step for mode  105=        0.0000031473
 Unscaled step for mode  106=        0.0000022800
 Unscaled step for mode  107=        0.0000023645
 Unscaled step for mode  108=        0.0000009492
 Unscaled step for mode  109=       -0.0000054937
 Unscaled step for mode  110=        0.0012097727
 Unscaled step for mode  111=        0.0000066554
 Unscaled step for mode  112=       -0.0026230289
 Unscaled step for mode  113=        0.0074279321
 Unscaled step for mode  114=       -0.2347757819
 Largest modulus ratio of non-zero e/values=           213.8775611    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.112378E-14    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.196013E-14    0.100676E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.143201E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.560424E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.717506E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.289794E-15    0.974129E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.889349E-05    0.742492E+03  0.119779E-07 0.100000E-04    0.995401E+00
   8   -0.830518E-05    0.674555E+03  0.123121E-07 0.100000E-04    0.989416E+00
   9   -0.440491E-05    0.628964E+03  0.700344E-08 0.100000E-04    0.978203E+00
  10    0.339878E-05    0.602162E+03 -0.564429E-08 0.100000E-04    0.958705E+00
  11   -0.240055E-05    0.586983E+03  0.408964E-08 0.100000E-04    0.973324E+00
  12   -0.101598E-04    0.577235E+03  0.176007E-07 0.100000E-04    0.982822E+00
  13   -0.337690E-05    0.566709E+03  0.595879E-08 0.100000E-04    0.986286E+00
  14    0.558604E-05    0.486589E+03 -0.114800E-07 0.100000E-04    0.989311E+00
  15    0.226020E-05    0.461839E+03 -0.489392E-08 0.100000E-04    0.981798E+00
  16    0.699329E-05    0.460407E+03 -0.151893E-07 0.100000E-04    0.987362E+00
  17    0.285926E-05    0.441771E+03 -0.647227E-08 0.100000E-04    0.937683E+00
  18    0.352822E-05    0.428841E+03 -0.822733E-08 0.100000E-04    0.983717E+00
  19   -0.205822E-04    0.422097E+03  0.487617E-07 0.100000E-04    0.994200E+00
  20    0.269781E-05    0.408557E+03 -0.660327E-08 0.100000E-04    0.973564E+00
  21    0.317513E-05    0.396704E+03 -0.800376E-08 0.100000E-04    0.975296E+00
  22   -0.135172E-04    0.388225E+03  0.348180E-07 0.100000E-04    0.998736E+00
  23    0.338105E-05    0.369323E+03 -0.915472E-08 0.100000E-04    0.939371E+00
  24   -0.810159E-05    0.360675E+03  0.224623E-07 0.100000E-04    0.997992E+00
  25   -0.245600E-04    0.349763E+03  0.702188E-07 0.100000E-04    0.996802E+00
  26   -0.361851E-04    0.334985E+03  0.108020E-06 0.100000E-04    0.996815E+00
  27   -0.168792E-04    0.328216E+03  0.514271E-07 0.100000E-04    0.997084E+00
  28    0.102592E-04    0.321813E+03 -0.318793E-07 0.100000E-04    0.993432E+00
  29    0.336116E-04    0.319237E+03 -0.105287E-06 0.100000E-04    0.991266E+00
  30   -0.239485E-04    0.310229E+03  0.771964E-07 0.100000E-04    0.988770E+00
  31   -0.259854E-04    0.301701E+03  0.861296E-07 0.100000E-04    0.993511E+00
  32   -0.139907E-04    0.290028E+03  0.482390E-07 0.100000E-04    0.998365E+00
  33    0.155193E-04    0.278343E+03 -0.557560E-07 0.100000E-04    0.989276E+00
  34   -0.204034E-04    0.272011E+03  0.750093E-07 0.100000E-04    0.990923E+00
  35    0.263705E-04    0.267986E+03 -0.984023E-07 0.100000E-04    0.992924E+00
  36    0.278586E-04    0.264759E+03 -0.105222E-06 0.100000E-04    0.998603E+00
  37    0.200185E-04    0.262407E+03 -0.762880E-07 0.100000E-04    0.998395E+00
  38    0.654475E-05    0.253616E+03 -0.258057E-07 0.100000E-04    0.997155E+00
  39   -0.218157E-04    0.241618E+03  0.902898E-07 0.100000E-04    0.996057E+00
  40   -0.353912E-04    0.240043E+03  0.147436E-06 0.100000E-04    0.997175E+00
  41   -0.500860E-04    0.233772E+03  0.214252E-06 0.100000E-04    0.998781E+00
  42   -0.244666E-04    0.227627E+03  0.107485E-06 0.100000E-04    0.992859E+00
  43   -0.194971E-04    0.217404E+03  0.896813E-07 0.100000E-04    0.986493E+00
  44   -0.469314E-04    0.214724E+03  0.218566E-06 0.100000E-04    0.996610E+00
  45    0.991981E-05    0.213190E+03 -0.465304E-07 0.100000E-04    0.969933E+00
  46    0.376370E-04    0.207305E+03 -0.181554E-06 0.100000E-04    0.999326E+00
  47   -0.260284E-04    0.203340E+03  0.128005E-06 0.100000E-04    0.992230E+00
  48    0.556006E-05    0.196205E+03 -0.283380E-07 0.100000E-04    0.962226E+00
  49    0.327642E-04    0.194785E+03 -0.168207E-06 0.100000E-04    0.993868E+00
  50   -0.446563E-05    0.191303E+03  0.233432E-07 0.100000E-04    0.834081E+00
  51   -0.179621E-04    0.183004E+03  0.981510E-07 0.100000E-04    0.998211E+00
  52    0.872138E-05    0.174060E+03 -0.501054E-07 0.100000E-04    0.988911E+00
  53    0.150095E-04    0.172330E+03 -0.870977E-07 0.100000E-04    0.993855E+00
  54   -0.256704E-04    0.167915E+03  0.152877E-06 0.100000E-04    0.999166E+00
  55   -0.251518E-04    0.163797E+03  0.153555E-06 0.100000E-04    0.999902E+00
  56    0.946270E-05    0.157424E+03 -0.601097E-07 0.100000E-04    0.999983E+00
  57    0.168103E-04    0.154617E+03 -0.108723E-06 0.100000E-04    0.987440E+00
  58   -0.283599E-04    0.152114E+03  0.186438E-06 0.100000E-04    0.998747E+00
  59   -0.892925E-05    0.147316E+03  0.606128E-07 0.100000E-04    0.990627E+00
  60    0.247020E-04    0.143514E+03 -0.172122E-06 0.100000E-04    0.998113E+00
  61   -0.351633E-04    0.137678E+03  0.255403E-06 0.100000E-04    0.983363E+00
  62   -0.223220E-04    0.135916E+03  0.164234E-06 0.100000E-04    0.994640E+00
  63   -0.112710E-04    0.130471E+03  0.863865E-07 0.100000E-04    0.959800E+00
  64    0.439804E-04    0.128636E+03 -0.341897E-06 0.100000E-04    0.994383E+00
  65   -0.213377E-04    0.126663E+03  0.168461E-06 0.100000E-04    0.979349E+00
  66    0.716459E-05    0.124809E+03 -0.574044E-07 0.100000E-04    0.989312E+00
  67   -0.206612E-04    0.119938E+03  0.172266E-06 0.100000E-04    0.990647E+00
  68   -0.751574E-05    0.118153E+03  0.636104E-07 0.100000E-04    0.993358E+00
  69    0.925567E-05    0.117097E+03 -0.790425E-07 0.100000E-04    0.974974E+00
  70    0.347826E-04    0.110393E+03 -0.315080E-06 0.100000E-04    0.988543E+00
  71    0.703173E-05    0.107095E+03 -0.656587E-07 0.100000E-04    0.982070E+00
  72   -0.862479E-04    0.104427E+03  0.825918E-06 0.100000E-04    0.994101E+00
  73   -0.267062E-04    0.102949E+03  0.259413E-06 0.100000E-04    0.997882E+00
  74   -0.192548E-04    0.996453E+02  0.193233E-06 0.100000E-04    0.992573E+00
  75   -0.796753E-04    0.959628E+02  0.830273E-06 0.100000E-04    0.998937E+00
  76   -0.109123E-04    0.941505E+02  0.115902E-06 0.100000E-04    0.984986E+00
  77    0.520105E-04    0.928084E+02 -0.560407E-06 0.100000E-04    0.990236E+00
  78    0.172432E-04    0.909972E+02 -0.189491E-06 0.100000E-04    0.996338E+00
  79    0.554857E-05    0.888857E+02 -0.624237E-07 0.100000E-04    0.995730E+00
  80   -0.186899E-04    0.853909E+02  0.218874E-06 0.100000E-04    0.988981E+00
  81   -0.316971E-04    0.808468E+02  0.392064E-06 0.100000E-04    0.999764E+00
  82    0.221206E-04    0.801403E+02 -0.276023E-06 0.100000E-04    0.987900E+00
  83   -0.117063E-04    0.781106E+02  0.149869E-06 0.100000E-04    0.971135E+00
  84    0.600673E-04    0.732290E+02 -0.820267E-06 0.100000E-04    0.986082E+00
  85   -0.134643E-04    0.727392E+02  0.185103E-06 0.100000E-04    0.967514E+00
  86   -0.221495E-04    0.681406E+02  0.325056E-06 0.100000E-04    0.982772E+00
  87    0.476228E-04    0.651823E+02 -0.730609E-06 0.100000E-04    0.988816E+00
  88    0.225167E-04    0.620619E+02 -0.362811E-06 0.100000E-04    0.991915E+00
  89    0.139617E-04    0.599721E+02 -0.232804E-06 0.100000E-04    0.970910E+00
  90   -0.445813E-04    0.593851E+02  0.750715E-06 0.100000E-04    0.995636E+00
  91    0.567051E-04    0.585515E+02 -0.968465E-06 0.100000E-04    0.981771E+00
  92    0.607534E-04    0.560060E+02 -0.108477E-05 0.100000E-04    0.988485E+00
  93    0.295759E-04    0.525397E+02 -0.562926E-06 0.100000E-04    0.991707E+00
  94   -0.551747E-04    0.522540E+02  0.105589E-05 0.100000E-04    0.995955E+00
  95   -0.256663E-05    0.500254E+02  0.513066E-07 0.100000E-04    0.660995E+00
  96   -0.141339E-04    0.466846E+02  0.302753E-06 0.100000E-04    0.952019E+00
  97   -0.344818E-04    0.430435E+02  0.801093E-06 0.100000E-04    0.957382E+00
  98    0.578503E-04    0.407672E+02 -0.141904E-05 0.100000E-04    0.987893E+00
  99    0.109292E-03    0.378780E+02 -0.288536E-05 0.100000E-04    0.989781E+00
 100    0.734238E-04    0.364431E+02 -0.201475E-05 0.100000E-04    0.999010E+00
 101    0.970987E-05    0.329154E+02 -0.294995E-06 0.100000E-04    0.778973E+00
 102   -0.113791E-03    0.287912E+02  0.395230E-05 0.100000E-04    0.991411E+00
 103    0.530143E-04    0.284804E+02 -0.186143E-05 0.100000E-04    0.996446E+00
 104   -0.154424E-03    0.264676E+02  0.583446E-05 0.100000E-04    0.990098E+00
 105   -0.731846E-04    0.232532E+02  0.314730E-05 0.100000E-04    0.986599E+00
 106   -0.482466E-04    0.211611E+02  0.227997E-05 0.100000E-04    0.980590E+00
 107   -0.477763E-04    0.202054E+02  0.236453E-05 0.100000E-04    0.893618E+00
 108   -0.157931E-04    0.166391E+02  0.949156E-06 0.100000E-04    0.799989E+00
 109    0.761687E-04    0.138647E+02 -0.549373E-05 0.100000E-04    0.991789E+00
 110   -0.148065E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.659786E+00
 111   -0.670263E-04    0.100710E+02  0.665538E-05 0.100000E-04    0.997904E+00
 112    0.223301E-01    0.851303E+01 -0.241677E-04 0.241677E-04    0.336948E+00
 113   -0.447341E-01    0.602209E+01  0.727741E-04 0.727741E-04    0.121849E+00
 114   -0.862587E+00    0.347158E+01 -0.400000E-03 0.400000E-03    0.363359E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2347757819    

 Beginning of optimization cycle  468.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3145356747
 potential> RMS force:                                               0.0810630833   |gradient|=.8655168837    
 Eigenvalues of the Hessian matrix:
   742.56477    674.55919    628.98497    602.13971    586.97441    577.27401 
   566.69719    486.61521    461.81650    460.39924    441.77480    428.83839 
   422.09621    408.55551    396.69919    388.21580    369.33679    360.66855 
   349.75496    334.98670    328.23615    321.81761    319.22369    310.21649 
   301.68144    290.03974    278.34411    272.02424    267.99465    264.76050 
   262.43422    253.60890    241.61336    240.05658    233.76827    227.61977 
   217.38706    214.72966    213.19514    207.30895    203.33490    196.19269 
   194.78248    191.30209    182.99661    174.05903    172.32960    167.91940 
   163.78632    157.41174    154.62067    152.11925    147.30523    143.51482 
   137.68329    135.91550    130.46998    128.63966    126.66749    124.80060 
   119.93909    118.15303    117.09621    110.38992    107.09125    104.42510 
   102.94624     99.64406     95.96729     94.15372     92.79033     91.00039 
    88.87833     85.39391     80.84604     80.14372     78.10864     73.23327 
    72.74090     68.13885     65.17528     62.04834     59.97170     59.38533 
    58.54320     56.00477     52.53899     52.25212     50.02621     46.67645 
    43.04698     40.77016     37.87980     36.44347     32.90253     28.79157 
    28.47931     26.46119     23.25483     21.16512     20.19710     16.63655 
    13.86530     12.23904     10.07189      8.51433      6.01379      3.46571 
overlap for current and previous eigenvector    109 is        -0.9999997771
overlap for current and previous eigenvector    110 is         0.9999997686
overlap for current and previous eigenvector    111 is        -0.9999997248
overlap for current and previous eigenvector    112 is         0.9999997295
overlap for current and previous eigenvector    113 is         0.9999991820
overlap for current and previous eigenvector    114 is         0.9999993588
J1,K1,R1,R2,RAT=   7   7   -0.3312070950E-02     2.003116307        0.9966879290    
FOB,PFOB,DIAG,PSTEP=   -0.8922950083E-05   -0.8893491325E-05     742.5647676        0.1197789379E-07
J1,K1,R1,R2,RAT=   8   8   -0.1451482241E-01     2.014503328        0.9854851776    
FOB,PFOB,DIAG,PSTEP=   -0.8425724758E-05   -0.8305175911E-05     674.5591886        0.1231207548E-07
J1,K1,R1,R2,RAT=   9   9   -0.3026403537E-01     2.030198055        0.9697359646    
FOB,PFOB,DIAG,PSTEP=   -0.4538228477E-05   -0.4404913617E-05     628.9849684        0.7003440721E-08
J1,K1,R1,R2,RAT=  10  10    0.2804339501E-01     1.972030224        0.9719566050    
FOB,PFOB,DIAG,PSTEP=    0.3303468875E-05    0.3398778659E-05     602.1397060       -0.5644294043E-08
J1,K1,R1,R2,RAT=  11  11   -0.2524318182E-02     2.002552904        0.9974756818    
FOB,PFOB,DIAG,PSTEP=   -0.2406608362E-05   -0.2400548700E-05     586.9744093        0.4089640625E-08
J1,K1,R1,R2,RAT= 109 109     2.000185586       -0.2781751218E-03    0.9997218249    
FOB,PFOB,DIAG,PSTEP=   -0.7618992385E-04    0.7616873462E-04     13.86530492       -0.5493731399E-05
J1,K1,R1,R2,RAT= 110 110   -0.3004475979         242.2552670        0.6995524021    
FOB,PFOB,DIAG,PSTEP=   -0.1484324152E-01   -0.1480646963E-01     12.23903674        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.995639847        0.4181138559E-02    0.9956398465    
FOB,PFOB,DIAG,PSTEP=    0.6674601809E-04   -0.6702628938E-04     10.07189108        0.6655382665E-05
J1,K1,R1,R2,RAT= 112 112   -0.8780367120         217.9151984        0.1219632880    
FOB,PFOB,DIAG,PSTEP=    0.2251076103E-01    0.2233008566E-01     8.514327475       -0.2416773407E-04
J1,K1,R1,R2,RAT= 113 113   -0.8178106154         205.2474084        0.1821893846    
FOB,PFOB,DIAG,PSTEP=   -0.4509202299E-01   -0.4473410975E-01     6.013787166        0.7277412064E-04
J1,K1,R1,R2,RAT= 114 114    0.9618068343        -1245.420611        0.3819316570E-01
FOB,PFOB,DIAG,PSTEP=   -0.8639207012       -0.8625873627         3.465712807       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00002 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
    -0.00003      0.00001      0.00002     -0.00003      0.00001     -0.00002 
     0.00003      0.00002     -0.00001     -0.00004      0.00002     -0.00001 
    -0.00002     -0.00001      0.00001      0.00004      0.00001      0.00009 
     0.00003     -0.00002     -0.00008     -0.00001     -0.00005      0.00002 
     0.00001      0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00001     -0.00002     -0.00005      0.00002      0.00001      0.00004 
    -0.00006      0.00006      0.00003     -0.00005     -0.00000      0.00001 
     0.00003     -0.00006      0.00011     -0.00007     -0.00001     -0.00011 
    -0.00005      0.00015      0.00007      0.00005     -0.00005     -0.00002 
    -0.00008     -0.01484      0.00007      0.02251     -0.04509     -0.86392 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3959750347
 Log product of positive Hessian eigenvalues =          519.2314375524
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4657128067
 Unscaled step for mode    7=        0.0000000120
 Unscaled step for mode    8=        0.0000000125
 Unscaled step for mode    9=        0.0000000072
 Unscaled step for mode   10=       -0.0000000055
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000180
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000118
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000150
 Unscaled step for mode   17=       -0.0000000061
 Unscaled step for mode   18=       -0.0000000081
 Unscaled step for mode   19=        0.0000000486
 Unscaled step for mode   20=       -0.0000000064
 Unscaled step for mode   21=       -0.0000000077
 Unscaled step for mode   22=        0.0000000349
 Unscaled step for mode   23=       -0.0000000097
 Unscaled step for mode   24=        0.0000000227
 Unscaled step for mode   25=        0.0000000702
 Unscaled step for mode   26=        0.0000001077
 Unscaled step for mode   27=        0.0000000513
 Unscaled step for mode   28=       -0.0000000316
 Unscaled step for mode   29=       -0.0000001051
 Unscaled step for mode   30=        0.0000000777
 Unscaled step for mode   31=        0.0000000870
 Unscaled step for mode   32=        0.0000000486
 Unscaled step for mode   33=       -0.0000000552
 Unscaled step for mode   34=        0.0000000749
 Unscaled step for mode   35=       -0.0000000990
 Unscaled step for mode   36=       -0.0000001059
 Unscaled step for mode   37=       -0.0000000758
 Unscaled step for mode   38=       -0.0000000260
 Unscaled step for mode   39=        0.0000000900
 Unscaled step for mode   40=        0.0000001482
 Unscaled step for mode   41=        0.0000002146
 Unscaled step for mode   42=        0.0000001086
 Unscaled step for mode   43=        0.0000000899
 Unscaled step for mode   44=        0.0000002203
 Unscaled step for mode   45=       -0.0000000470
 Unscaled step for mode   46=       -0.0000001822
 Unscaled step for mode   47=        0.0000001282
 Unscaled step for mode   48=       -0.0000000273
 Unscaled step for mode   49=       -0.0000001694
 Unscaled step for mode   50=        0.0000000202
 Unscaled step for mode   51=        0.0000000983
 Unscaled step for mode   52=       -0.0000000502
 Unscaled step for mode   53=       -0.0000000867
 Unscaled step for mode   54=        0.0000001537
 Unscaled step for mode   55=        0.0000001539
 Unscaled step for mode   56=       -0.0000000601
 Unscaled step for mode   57=       -0.0000001084
 Unscaled step for mode   58=        0.0000001867
 Unscaled step for mode   59=       -0.0000000605
 Unscaled step for mode   60=        0.0000001719
 Unscaled step for mode   61=       -0.0000002521
 Unscaled step for mode   62=       -0.0000001641
 Unscaled step for mode   63=        0.0000000815
 Unscaled step for mode   64=        0.0000003416
 Unscaled step for mode   65=       -0.0000001651
 Unscaled step for mode   66=        0.0000000551
 Unscaled step for mode   67=        0.0000001751
 Unscaled step for mode   68=        0.0000000630
 Unscaled step for mode   69=       -0.0000000779
 Unscaled step for mode   70=       -0.0000003187
 Unscaled step for mode   71=       -0.0000000659
 Unscaled step for mode   72=       -0.0000008245
 Unscaled step for mode   73=       -0.0000002576
 Unscaled step for mode   74=        0.0000001901
 Unscaled step for mode   75=        0.0000008269
 Unscaled step for mode   76=        0.0000001092
 Unscaled step for mode   77=        0.0000005618
 Unscaled step for mode   78=       -0.0000001933
 Unscaled step for mode   79=       -0.0000000612
 Unscaled step for mode   80=       -0.0000002199
 Unscaled step for mode   81=       -0.0000003939
 Unscaled step for mode   82=       -0.0000002810
 Unscaled step for mode   83=        0.0000001536
 Unscaled step for mode   84=       -0.0000008118
 Unscaled step for mode   85=        0.0000001729
 Unscaled step for mode   86=        0.0000003233
 Unscaled step for mode   87=        0.0000007273
 Unscaled step for mode   88=       -0.0000003615
 Unscaled step for mode   89=       -0.0000002452
 Unscaled step for mode   90=       -0.0000007505
 Unscaled step for mode   91=        0.0000009613
 Unscaled step for mode   92=       -0.0000010949
 Unscaled step for mode   93=       -0.0000005738
 Unscaled step for mode   94=        0.0000010490
 Unscaled step for mode   95=        0.0000000322
 Unscaled step for mode   96=       -0.0000003027
 Unscaled step for mode   97=       -0.0000007712
 Unscaled step for mode   98=        0.0000014081
 Unscaled step for mode   99=       -0.0000028533
 Unscaled step for mode  100=        0.0000020126
 Unscaled step for mode  101=        0.0000002387
 Unscaled step for mode  102=        0.0000039344
 Unscaled step for mode  103=        0.0000018728
 Unscaled step for mode  104=       -0.0000058050
 Unscaled step for mode  105=       -0.0000031391
 Unscaled step for mode  106=       -0.0000022525
 Unscaled step for mode  107=        0.0000026226
 Unscaled step for mode  108=        0.0000011693
 Unscaled step for mode  109=        0.0000054950
 Unscaled step for mode  110=        0.0012127768
 Unscaled step for mode  111=       -0.0000066270
 Unscaled step for mode  112=       -0.0026438499
 Unscaled step for mode  113=        0.0074976860
 Unscaled step for mode  114=       -0.2354566380
 Largest modulus ratio of non-zero e/values=           214.2603294    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.712212E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.141976E-14    0.100676E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.452546E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.240017E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.339355E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.295337E-15    0.974131E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.892295E-05    0.742565E+03  0.120164E-07 0.100000E-04    0.996688E+00
   8   -0.842572E-05    0.674559E+03  0.124907E-07 0.100000E-04    0.985485E+00
   9   -0.453823E-05    0.628985E+03  0.721516E-08 0.100000E-04    0.969736E+00
  10    0.330347E-05    0.602140E+03 -0.548622E-08 0.100000E-04    0.971957E+00
  11   -0.240661E-05    0.586974E+03  0.410002E-08 0.100000E-04    0.997476E+00
  12   -0.103838E-04    0.577274E+03  0.179876E-07 0.100000E-04    0.977953E+00
  13   -0.343262E-05    0.566697E+03  0.605724E-08 0.100000E-04    0.983499E+00
  14    0.572463E-05    0.486615E+03 -0.117642E-07 0.100000E-04    0.975193E+00
  15    0.228421E-05    0.461817E+03 -0.494613E-08 0.100000E-04    0.989380E+00
  16    0.690140E-05    0.460399E+03 -0.149900E-07 0.100000E-04    0.986861E+00
  17    0.269316E-05    0.441775E+03 -0.609622E-08 0.100000E-04    0.941891E+00
  18    0.349160E-05    0.428838E+03 -0.814200E-08 0.100000E-04    0.989623E+00
  19   -0.205335E-04    0.422096E+03  0.486466E-07 0.100000E-04    0.997638E+00
  20    0.260690E-05    0.408556E+03 -0.638077E-08 0.100000E-04    0.966301E+00
  21    0.305706E-05    0.396699E+03 -0.770624E-08 0.100000E-04    0.962815E+00
  22   -0.135452E-04    0.388216E+03  0.348908E-07 0.100000E-04    0.997931E+00
  23    0.357114E-05    0.369337E+03 -0.966905E-08 0.100000E-04    0.943781E+00
  24   -0.817363E-05    0.360669E+03  0.226624E-07 0.100000E-04    0.991108E+00
  25   -0.245596E-04    0.349755E+03  0.702194E-07 0.100000E-04    0.999984E+00
  26   -0.360850E-04    0.334987E+03  0.107721E-06 0.100000E-04    0.997227E+00
  27   -0.168512E-04    0.328236E+03  0.513387E-07 0.100000E-04    0.998221E+00
  28    0.101673E-04    0.321818E+03 -0.315933E-07 0.100000E-04    0.991016E+00
  29    0.335649E-04    0.319224E+03 -0.105145E-06 0.100000E-04    0.998610E+00
  30   -0.241071E-04    0.310216E+03  0.777105E-07 0.100000E-04    0.993379E+00
  31   -0.262465E-04    0.301681E+03  0.870008E-07 0.100000E-04    0.989950E+00
  32   -0.140899E-04    0.290040E+03  0.485794E-07 0.100000E-04    0.992904E+00
  33    0.153665E-04    0.278344E+03 -0.552070E-07 0.100000E-04    0.990150E+00
  34   -0.203688E-04    0.272024E+03  0.748787E-07 0.100000E-04    0.998209E+00
  35    0.265234E-04    0.267995E+03 -0.989697E-07 0.100000E-04    0.994202E+00
  36    0.280484E-04    0.264761E+03 -0.105939E-06 0.100000E-04    0.993188E+00
  37    0.198973E-04    0.262434E+03 -0.758181E-07 0.100000E-04    0.993737E+00
  38    0.660358E-05    0.253609E+03 -0.260385E-07 0.100000E-04    0.991010E+00
  39   -0.217497E-04    0.241613E+03  0.900186E-07 0.100000E-04    0.996976E+00
  40   -0.355833E-04    0.240057E+03  0.148229E-06 0.100000E-04    0.994572E+00
  41   -0.501711E-04    0.233768E+03  0.214619E-06 0.100000E-04    0.998302E+00
  42   -0.247112E-04    0.227620E+03  0.108563E-06 0.100000E-04    0.990005E+00
  43   -0.195338E-04    0.217387E+03  0.898572E-07 0.100000E-04    0.998115E+00
  44   -0.473121E-04    0.214730E+03  0.220333E-06 0.100000E-04    0.991888E+00
  45    0.100167E-04    0.213195E+03 -0.469836E-07 0.100000E-04    0.990235E+00
  46    0.377755E-04    0.207309E+03 -0.182218E-06 0.100000E-04    0.996321E+00
  47   -0.260766E-04    0.203335E+03  0.128245E-06 0.100000E-04    0.998147E+00
  48    0.535610E-05    0.196193E+03 -0.273002E-07 0.100000E-04    0.963315E+00
  49    0.329937E-04    0.194782E+03 -0.169387E-06 0.100000E-04    0.992997E+00
  50   -0.386380E-05    0.191302E+03  0.201973E-07 0.100000E-04    0.865229E+00
  51   -0.179795E-04    0.182997E+03  0.982505E-07 0.100000E-04    0.999029E+00
  52    0.873786E-05    0.174059E+03 -0.502006E-07 0.100000E-04    0.998110E+00
  53    0.149482E-04    0.172330E+03 -0.867417E-07 0.100000E-04    0.995912E+00
  54   -0.258061E-04    0.167919E+03  0.153682E-06 0.100000E-04    0.994713E+00
  55   -0.252004E-04    0.163786E+03  0.153862E-06 0.100000E-04    0.998066E+00
  56    0.946465E-05    0.157412E+03 -0.601267E-07 0.100000E-04    0.999794E+00
  57    0.167564E-04    0.154621E+03 -0.108371E-06 0.100000E-04    0.996738E+00
  58   -0.284043E-04    0.152119E+03  0.186724E-06 0.100000E-04    0.998433E+00
  59    0.890842E-05    0.147305E+03 -0.604759E-07 0.100000E-04    0.997666E+00
  60   -0.246766E-04    0.143515E+03  0.171944E-06 0.100000E-04    0.998961E+00
  61    0.347052E-04    0.137683E+03 -0.252066E-06 0.100000E-04    0.986890E+00
  62    0.223018E-04    0.135916E+03 -0.164086E-06 0.100000E-04    0.999094E+00
  63   -0.106296E-04    0.130470E+03  0.814719E-07 0.100000E-04    0.943098E+00
  64   -0.439479E-04    0.128640E+03  0.341636E-06 0.100000E-04    0.999209E+00
  65    0.209071E-04    0.126667E+03 -0.165055E-06 0.100000E-04    0.979744E+00
  66   -0.687219E-05    0.124801E+03  0.550653E-07 0.100000E-04    0.959185E+00
  67   -0.209987E-04    0.119939E+03  0.175078E-06 0.100000E-04    0.983667E+00
  68   -0.743836E-05    0.118153E+03  0.629553E-07 0.100000E-04    0.989699E+00
  69    0.912410E-05    0.117096E+03 -0.779197E-07 0.100000E-04    0.985786E+00
  70    0.351852E-04    0.110390E+03 -0.318736E-06 0.100000E-04    0.988424E+00
  71    0.705644E-05    0.107091E+03 -0.658919E-07 0.100000E-04    0.996485E+00
  72    0.860951E-04    0.104425E+03 -0.824467E-06 0.100000E-04    0.998228E+00
  73    0.265175E-04    0.102946E+03 -0.257586E-06 0.100000E-04    0.992936E+00
  74   -0.189463E-04    0.996441E+02  0.190140E-06 0.100000E-04    0.983977E+00
  75   -0.793590E-04    0.959673E+02  0.826938E-06 0.100000E-04    0.995936E+00
  76   -0.102815E-04    0.941537E+02  0.109199E-06 0.100000E-04    0.942129E+00
  77   -0.521277E-04    0.927903E+02  0.561779E-06 0.100000E-04    0.997746E+00
  78    0.175937E-04    0.910004E+02 -0.193337E-06 0.100000E-04    0.979673E+00
  79    0.544042E-05    0.888783E+02 -0.612121E-07 0.100000E-04    0.980507E+00
  80    0.187793E-04    0.853939E+02 -0.219914E-06 0.100000E-04    0.995213E+00
  81    0.318424E-04    0.808460E+02 -0.393865E-06 0.100000E-04    0.995416E+00
  82    0.225208E-04    0.801437E+02 -0.281005E-06 0.100000E-04    0.981907E+00
  83   -0.119951E-04    0.781086E+02  0.153569E-06 0.100000E-04    0.975337E+00
  84    0.594526E-04    0.732333E+02 -0.811825E-06 0.100000E-04    0.989652E+00
  85   -0.125805E-04    0.727409E+02  0.172949E-06 0.100000E-04    0.934318E+00
  86   -0.220267E-04    0.681388E+02  0.323261E-06 0.100000E-04    0.994452E+00
  87   -0.473996E-04    0.651753E+02  0.727263E-06 0.100000E-04    0.995313E+00
  88    0.224321E-04    0.620483E+02 -0.361526E-06 0.100000E-04    0.996239E+00
  89    0.147068E-04    0.599717E+02 -0.245229E-06 0.100000E-04    0.946635E+00
  90    0.445702E-04    0.593853E+02 -0.750525E-06 0.100000E-04    0.999744E+00
  91   -0.562772E-04    0.585432E+02  0.961294E-06 0.100000E-04    0.992454E+00
  92    0.613173E-04    0.560048E+02 -0.109486E-05 0.100000E-04    0.990718E+00
  93    0.301476E-04    0.525390E+02 -0.573815E-06 0.100000E-04    0.980669E+00
  94   -0.548129E-04    0.522521E+02  0.104901E-05 0.100000E-04    0.993443E+00
  95   -0.161119E-05    0.500262E+02  0.322070E-07 0.100000E-04    0.627719E+00
  96    0.141273E-04    0.466764E+02 -0.302664E-06 0.100000E-04    0.999533E+00
  97    0.331962E-04    0.430470E+02 -0.771161E-06 0.100000E-04    0.962555E+00
  98   -0.574078E-04    0.407702E+02  0.140808E-05 0.100000E-04    0.992203E+00
  99    0.108082E-03    0.378798E+02 -0.285330E-05 0.100000E-04    0.988841E+00
 100   -0.733472E-04    0.364435E+02  0.201263E-05 0.100000E-04    0.998937E+00
 101   -0.785454E-05    0.329025E+02  0.238721E-06 0.100000E-04    0.808848E+00
 102   -0.113276E-03    0.287916E+02  0.393435E-05 0.100000E-04    0.995446E+00
 103   -0.533368E-04    0.284793E+02  0.187283E-05 0.100000E-04    0.993916E+00
 104    0.153607E-03    0.264612E+02 -0.580498E-05 0.100000E-04    0.994704E+00
 105    0.730003E-04    0.232548E+02 -0.313914E-05 0.100000E-04    0.997337E+00
 106    0.476742E-04    0.211651E+02 -0.225249E-05 0.100000E-04    0.987754E+00
 107   -0.529691E-04    0.201971E+02  0.262261E-05 0.100000E-04    0.891266E+00
 108   -0.194525E-04    0.166366E+02  0.116926E-05 0.100000E-04    0.768258E+00
 109   -0.761899E-04    0.138653E+02  0.549501E-05 0.100000E-04    0.999722E+00
 110   -0.148432E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.699552E+00
 111    0.667460E-04    0.100719E+02 -0.662696E-05 0.100000E-04    0.995640E+00
 112    0.225108E-01    0.851433E+01 -0.263428E-04 0.263428E-04    0.121963E+00
 113   -0.450920E-01    0.601379E+01  0.793238E-04 0.793238E-04    0.182189E+00
 114   -0.863921E+00    0.346571E+01 -0.400000E-03 0.400000E-03    0.381932E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2354566380    

 Beginning of optimization cycle  469.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3141941272
 potential> RMS force:                                               0.0811894990   |gradient|=.8668666343    
 Eigenvalues of the Hessian matrix:
   742.63819    674.56265    629.00656    602.11696    586.96586    577.31337 
   566.68414    486.64096    461.79331    460.39087    441.77793    428.83618 
   422.09547    408.55381    396.69417    388.20644    369.35078    360.66253 
   349.74627    334.98819    328.25627    321.82186    319.21088    310.20427 
   301.66156    290.05132    278.34560    272.03767    268.00315    264.76159 
   262.46159    253.60181    241.60845    240.06992    233.76513    227.61227 
   217.37047    214.73500    213.20009    207.31325    203.33013    196.18001 
   194.77974    191.30112    182.98917    174.05783    172.32938    167.92383 
   163.77575    157.39965    154.62483    152.12423    147.29398    143.51523 
   137.68906    135.91461    130.46841    128.64312    126.67230    124.79184 
   119.94004    118.15333    117.09487    110.38709    107.08721    104.42360 
   102.94379     99.64282     95.97177     94.15676     92.77221     91.00363 
    88.87083     85.39696     80.84526     80.14731     78.10664     73.23743 
    72.74238     68.13699     65.16812     62.03461     59.97128     59.38558 
    58.53485     56.00355     52.53828     52.25011     50.02716     46.66816 
    43.05067     40.77318     37.88159     36.44374     32.88959     28.79203 
    28.47821     26.45485     23.25649     21.16920     20.18880     16.63394 
    13.86596     12.23904     10.07276      8.51606      6.00562      3.45984 
overlap for current and previous eigenvector    109 is         0.9999997664
overlap for current and previous eigenvector    110 is         0.9999997735
overlap for current and previous eigenvector    111 is         0.9999997114
overlap for current and previous eigenvector    112 is         0.9999997230
overlap for current and previous eigenvector    113 is         0.9999991000
overlap for current and previous eigenvector    114 is         0.9999992807
J1,K1,R1,R2,RAT=   7   7   -0.4393039159E-02     2.004195300        0.9956069608    
FOB,PFOB,DIAG,PSTEP=   -0.8962152828E-05   -0.8922950083E-05     742.6381921        0.1201639301E-07
J1,K1,R1,R2,RAT=   8   8   -0.1357542224E-01     2.013565159        0.9864245778    
FOB,PFOB,DIAG,PSTEP=   -0.8540108116E-05   -0.8425724758E-05     674.5626502        0.1249071231E-07
J1,K1,R1,R2,RAT=   9   9   -0.5600269518E-01     2.055934037        0.9439973048    
FOB,PFOB,DIAG,PSTEP=   -0.4792390228E-05   -0.4538228477E-05     629.0065618        0.7215162054E-08
J1,K1,R1,R2,RAT=  10  10    0.2109020247E-02     1.997966523        0.9978909798    
FOB,PFOB,DIAG,PSTEP=    0.3296502055E-05    0.3303468875E-05     602.1169629       -0.5486216640E-08
J1,K1,R1,R2,RAT=  11  11    0.2201709375E-01     1.978012044        0.9779829062    
FOB,PFOB,DIAG,PSTEP=   -0.2353622612E-05   -0.2406608362E-05     586.9658580        0.4100022631E-08
J1,K1,R1,R2,RAT= 109 109   -0.2354804264E-01     2.023453397        0.9764519574    
FOB,PFOB,DIAG,PSTEP=   -0.7798413233E-04   -0.7618992385E-04     13.86596109        0.5495005288E-05
J1,K1,R1,R2,RAT= 110 110   -0.2673302069         242.8230075        0.7326697931    
FOB,PFOB,DIAG,PSTEP=   -0.1487596016E-01   -0.1484324152E-01     12.23903862        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2075273388E-01     2.020580473        0.9792472661    
FOB,PFOB,DIAG,PSTEP=    0.6813129975E-04    0.6674601809E-04     10.07275865       -0.6626959881E-05
J1,K1,R1,R2,RAT= 112 112   -0.8011563571         201.4880224        0.1988436429    
FOB,PFOB,DIAG,PSTEP=    0.2269049017E-01    0.2251076103E-01     8.516061532       -0.2634283014E-04
J1,K1,R1,R2,RAT= 113 113   -0.8043464183         190.1120724        0.1956535817    
FOB,PFOB,DIAG,PSTEP=   -0.4547520447E-01   -0.4509202299E-01     6.005620873        0.7932379150E-04
J1,K1,R1,R2,RAT= 114 114    0.9588091859        -1249.457284        0.4119081412E-01
FOB,PFOB,DIAG,PSTEP=   -0.8652476313       -0.8639207012         3.459838832       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
    -0.00003      0.00001      0.00002     -0.00003     -0.00001      0.00002 
    -0.00003     -0.00002     -0.00001     -0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001     -0.00004     -0.00001     -0.00009 
    -0.00003     -0.00002      0.00008     -0.00001      0.00005      0.00002 
    -0.00001     -0.00002      0.00003     -0.00002      0.00001     -0.00006 
     0.00001      0.00002     -0.00005     -0.00002      0.00002      0.00004 
    -0.00006     -0.00006     -0.00003     -0.00005     -0.00000      0.00001 
    -0.00003      0.00006     -0.00011      0.00007      0.00001      0.00011 
     0.00005     -0.00015     -0.00007     -0.00004     -0.00006     -0.00002 
    -0.00008     -0.01488      0.00007      0.02269     -0.04548     -0.86525 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3956961925
 Log product of positive Hessian eigenvalues =          519.2270068874
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4598388315
 Unscaled step for mode    7=        0.0000000121
 Unscaled step for mode    8=        0.0000000127
 Unscaled step for mode    9=        0.0000000076
 Unscaled step for mode   10=       -0.0000000055
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000186
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000121
 Unscaled step for mode   15=       -0.0000000047
 Unscaled step for mode   16=       -0.0000000147
 Unscaled step for mode   17=       -0.0000000056
 Unscaled step for mode   18=       -0.0000000077
 Unscaled step for mode   19=        0.0000000485
 Unscaled step for mode   20=       -0.0000000059
 Unscaled step for mode   21=       -0.0000000072
 Unscaled step for mode   22=        0.0000000353
 Unscaled step for mode   23=       -0.0000000104
 Unscaled step for mode   24=        0.0000000231
 Unscaled step for mode   25=        0.0000000700
 Unscaled step for mode   26=        0.0000001073
 Unscaled step for mode   27=        0.0000000508
 Unscaled step for mode   28=       -0.0000000311
 Unscaled step for mode   29=       -0.0000001050
 Unscaled step for mode   30=        0.0000000785
 Unscaled step for mode   31=        0.0000000877
 Unscaled step for mode   32=        0.0000000497
 Unscaled step for mode   33=       -0.0000000550
 Unscaled step for mode   34=        0.0000000749
 Unscaled step for mode   35=       -0.0000000996
 Unscaled step for mode   36=       -0.0000001073
 Unscaled step for mode   37=       -0.0000000751
 Unscaled step for mode   38=       -0.0000000263
 Unscaled step for mode   39=        0.0000000895
 Unscaled step for mode   40=        0.0000001499
 Unscaled step for mode   41=        0.0000002151
 Unscaled step for mode   42=        0.0000001105
 Unscaled step for mode   43=        0.0000000897
 Unscaled step for mode   44=        0.0000002228
 Unscaled step for mode   45=       -0.0000000480
 Unscaled step for mode   46=       -0.0000001831
 Unscaled step for mode   47=        0.0000001287
 Unscaled step for mode   48=       -0.0000000258
 Unscaled step for mode   49=       -0.0000001700
 Unscaled step for mode   50=        0.0000000175
 Unscaled step for mode   51=        0.0000000975
 Unscaled step for mode   52=       -0.0000000495
 Unscaled step for mode   53=       -0.0000000861
 Unscaled step for mode   54=        0.0000001535
 Unscaled step for mode   55=        0.0000001549
 Unscaled step for mode   56=       -0.0000000626
 Unscaled step for mode   57=       -0.0000001073
 Unscaled step for mode   58=        0.0000001874
 Unscaled step for mode   59=        0.0000000618
 Unscaled step for mode   60=       -0.0000001707
 Unscaled step for mode   61=        0.0000002486
 Unscaled step for mode   62=        0.0000001647
 Unscaled step for mode   63=        0.0000000763
 Unscaled step for mode   64=        0.0000003413
 Unscaled step for mode   65=        0.0000001606
 Unscaled step for mode   66=       -0.0000000534
 Unscaled step for mode   67=        0.0000001796
 Unscaled step for mode   68=        0.0000000615
 Unscaled step for mode   69=       -0.0000000773
 Unscaled step for mode   70=        0.0000003212
 Unscaled step for mode   71=        0.0000000668
 Unscaled step for mode   72=        0.0000008248
 Unscaled step for mode   73=        0.0000002547
 Unscaled step for mode   74=        0.0000001880
 Unscaled step for mode   75=       -0.0000008223
 Unscaled step for mode   76=        0.0000001029
 Unscaled step for mode   77=       -0.0000005654
 Unscaled step for mode   78=       -0.0000001902
 Unscaled step for mode   79=        0.0000000615
 Unscaled step for mode   80=        0.0000002188
 Unscaled step for mode   81=       -0.0000003969
 Unscaled step for mode   82=        0.0000002853
 Unscaled step for mode   83=       -0.0000001499
 Unscaled step for mode   84=        0.0000008056
 Unscaled step for mode   85=       -0.0000001608
 Unscaled step for mode   86=       -0.0000003191
 Unscaled step for mode   87=        0.0000007209
 Unscaled step for mode   88=        0.0000003724
 Unscaled step for mode   89=       -0.0000002577
 Unscaled step for mode   90=       -0.0000007485
 Unscaled step for mode   91=        0.0000009437
 Unscaled step for mode   92=        0.0000011007
 Unscaled step for mode   93=        0.0000005924
 Unscaled step for mode   94=        0.0000010467
 Unscaled step for mode   95=        0.0000000205
 Unscaled step for mode   96=       -0.0000002972
 Unscaled step for mode   97=        0.0000007382
 Unscaled step for mode   98=       -0.0000013970
 Unscaled step for mode   99=        0.0000028182
 Unscaled step for mode  100=       -0.0000019876
 Unscaled step for mode  101=       -0.0000001550
 Unscaled step for mode  102=       -0.0000039177
 Unscaled step for mode  103=       -0.0000018907
 Unscaled step for mode  104=        0.0000058346
 Unscaled step for mode  105=        0.0000030702
 Unscaled step for mode  106=        0.0000021147
 Unscaled step for mode  107=        0.0000028246
 Unscaled step for mode  108=        0.0000014881
 Unscaled step for mode  109=        0.0000056241
 Unscaled step for mode  110=        0.0012154499
 Unscaled step for mode  111=       -0.0000067639
 Unscaled step for mode  112=       -0.0026644158
 Unscaled step for mode  113=        0.0075716730
 Unscaled step for mode  114=       -0.2361382590
 Largest modulus ratio of non-zero e/values=           214.6453139    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.121214E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.110101E-14    0.100675E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.194831E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.298767E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.160571E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.218778E-15    0.974133E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.896215E-05    0.742638E+03  0.120680E-07 0.100000E-04    0.995607E+00
   8   -0.854011E-05    0.674563E+03  0.126602E-07 0.100000E-04    0.986425E+00
   9   -0.479239E-05    0.629007E+03  0.761898E-08 0.100000E-04    0.943997E+00
  10    0.329650E-05    0.602117E+03 -0.547485E-08 0.100000E-04    0.997891E+00
  11   -0.235362E-05    0.586966E+03  0.400981E-08 0.100000E-04    0.977983E+00
  12   -0.107299E-04    0.577313E+03  0.185859E-07 0.100000E-04    0.966671E+00
  13   -0.339432E-05    0.566684E+03  0.598980E-08 0.100000E-04    0.988842E+00
  14    0.589162E-05    0.486641E+03 -0.121067E-07 0.100000E-04    0.970830E+00
  15    0.217500E-05    0.461793E+03 -0.470989E-08 0.100000E-04    0.952187E+00
  16    0.678960E-05    0.460391E+03 -0.147475E-07 0.100000E-04    0.983800E+00
  17    0.247051E-05    0.441778E+03 -0.559220E-08 0.100000E-04    0.917316E+00
  18    0.332031E-05    0.428836E+03 -0.774262E-08 0.100000E-04    0.950942E+00
  19   -0.204782E-04    0.422095E+03  0.485156E-07 0.100000E-04    0.997305E+00
  20    0.241913E-05    0.408554E+03 -0.592120E-08 0.100000E-04    0.927972E+00
  21    0.287235E-05    0.396694E+03 -0.724071E-08 0.100000E-04    0.939577E+00
  22   -0.137061E-04    0.388206E+03  0.353061E-07 0.100000E-04    0.988122E+00
  23    0.383741E-05    0.369351E+03 -0.103896E-07 0.100000E-04    0.925440E+00
  24   -0.833126E-05    0.360663E+03  0.230999E-07 0.100000E-04    0.980714E+00
  25   -0.244659E-04    0.349746E+03  0.699532E-07 0.100000E-04    0.996185E+00
  26   -0.359392E-04    0.334988E+03  0.107285E-06 0.100000E-04    0.995951E+00
  27   -0.166608E-04    0.328256E+03  0.507554E-07 0.100000E-04    0.988576E+00
  28    0.999482E-05    0.321822E+03 -0.310570E-07 0.100000E-04    0.983012E+00
  29    0.335163E-04    0.319211E+03 -0.104997E-06 0.100000E-04    0.998550E+00
  30   -0.243445E-04    0.310204E+03  0.784789E-07 0.100000E-04    0.990151E+00
  31   -0.264584E-04    0.301662E+03  0.877087E-07 0.100000E-04    0.991929E+00
  32   -0.144149E-04    0.290051E+03  0.496979E-07 0.100000E-04    0.976936E+00
  33    0.153208E-04    0.278346E+03 -0.550424E-07 0.100000E-04    0.997013E+00
  34   -0.203881E-04    0.272038E+03  0.749460E-07 0.100000E-04    0.999053E+00
  35    0.267052E-04    0.268003E+03 -0.996450E-07 0.100000E-04    0.993145E+00
  36    0.284092E-04    0.264762E+03 -0.107301E-06 0.100000E-04    0.987136E+00
  37    0.197042E-04    0.262462E+03 -0.750747E-07 0.100000E-04    0.990091E+00
  38    0.666421E-05    0.253602E+03 -0.262782E-07 0.100000E-04    0.990820E+00
  39   -0.216321E-04    0.241608E+03  0.895336E-07 0.100000E-04    0.994592E+00
  40   -0.359795E-04    0.240070E+03  0.149871E-06 0.100000E-04    0.988866E+00
  41   -0.502904E-04    0.233765E+03  0.215132E-06 0.100000E-04    0.997622E+00
  42   -0.251624E-04    0.227612E+03  0.110549E-06 0.100000E-04    0.981741E+00
  43   -0.194987E-04    0.217370E+03  0.897027E-07 0.100000E-04    0.998204E+00
  44   -0.478518E-04    0.214735E+03  0.222841E-06 0.100000E-04    0.988595E+00
  45    0.102328E-04    0.213200E+03 -0.479963E-07 0.100000E-04    0.978424E+00
  46    0.379602E-04    0.207313E+03 -0.183106E-06 0.100000E-04    0.995110E+00
  47   -0.261665E-04    0.203330E+03  0.128690E-06 0.100000E-04    0.996555E+00
  48    0.505876E-05    0.196180E+03 -0.257863E-07 0.100000E-04    0.944482E+00
  49    0.331155E-04    0.194780E+03 -0.170015E-06 0.100000E-04    0.996306E+00
  50   -0.334350E-05    0.191301E+03  0.174777E-07 0.100000E-04    0.865339E+00
  51   -0.178455E-04    0.182989E+03  0.975221E-07 0.100000E-04    0.992546E+00
  52    0.862173E-05    0.174058E+03 -0.495337E-07 0.100000E-04    0.986709E+00
  53    0.148379E-04    0.172329E+03 -0.861023E-07 0.100000E-04    0.992627E+00
  54   -0.257788E-04    0.167924E+03  0.153515E-06 0.100000E-04    0.998888E+00
  55   -0.253713E-04    0.163776E+03  0.154915E-06 0.100000E-04    0.993219E+00
  56    0.984718E-05    0.157400E+03 -0.625617E-07 0.100000E-04    0.959580E+00
  57    0.165848E-04    0.154625E+03 -0.107258E-06 0.100000E-04    0.989705E+00
  58   -0.285114E-04    0.152124E+03  0.187422E-06 0.100000E-04    0.996231E+00
  59   -0.910116E-05    0.147294E+03  0.617891E-07 0.100000E-04    0.978362E+00
  60    0.244939E-04    0.143515E+03 -0.170671E-06 0.100000E-04    0.992592E+00
  61   -0.342315E-04    0.137689E+03  0.248615E-06 0.100000E-04    0.986268E+00
  62   -0.223800E-04    0.135915E+03  0.164662E-06 0.100000E-04    0.996496E+00
  63   -0.994824E-05    0.130468E+03  0.762502E-07 0.100000E-04    0.935896E+00
  64   -0.439076E-04    0.128643E+03  0.341314E-06 0.100000E-04    0.999030E+00
  65   -0.203414E-04    0.126672E+03  0.160583E-06 0.100000E-04    0.972865E+00
  66    0.666862E-05    0.124792E+03 -0.534380E-07 0.100000E-04    0.970377E+00
  67   -0.215440E-04    0.119940E+03  0.179623E-06 0.100000E-04    0.974033E+00
  68   -0.726663E-05    0.118153E+03  0.615017E-07 0.100000E-04    0.976908E+00
  69    0.905725E-05    0.117095E+03 -0.773497E-07 0.100000E-04    0.992673E+00
  70   -0.354606E-04    0.110387E+03  0.321238E-06 0.100000E-04    0.992174E+00
  71   -0.715416E-05    0.107087E+03  0.668068E-07 0.100000E-04    0.986152E+00
  72   -0.861299E-04    0.104424E+03  0.824812E-06 0.100000E-04    0.999596E+00
  73   -0.262224E-04    0.102944E+03  0.254725E-06 0.100000E-04    0.988869E+00
  74   -0.187351E-04    0.996428E+02  0.188023E-06 0.100000E-04    0.988854E+00
  75    0.789142E-04    0.959718E+02 -0.822265E-06 0.100000E-04    0.994303E+00
  76   -0.968901E-05    0.941568E+02  0.102903E-06 0.100000E-04    0.942312E+00
  77    0.524577E-04    0.927722E+02 -0.565447E-06 0.100000E-04    0.993667E+00
  78    0.173060E-04    0.910036E+02 -0.190168E-06 0.100000E-04    0.983574E+00
  79   -0.546517E-05    0.888708E+02  0.614957E-07 0.100000E-04    0.995451E+00
  80   -0.186870E-04    0.853970E+02  0.218825E-06 0.100000E-04    0.995009E+00
  81    0.320898E-04    0.808453E+02 -0.396929E-06 0.100000E-04    0.992232E+00
  82   -0.228684E-04    0.801473E+02  0.285329E-06 0.100000E-04    0.984567E+00
  83    0.117092E-04    0.781066E+02 -0.149913E-06 0.100000E-04    0.976168E+00
  84   -0.590003E-04    0.732374E+02  0.805603E-06 0.100000E-04    0.992278E+00
  85    0.116991E-04    0.727424E+02 -0.160830E-06 0.100000E-04    0.929904E+00
  86    0.217394E-04    0.681370E+02 -0.319054E-06 0.100000E-04    0.986958E+00
  87   -0.469790E-04    0.651681E+02  0.720889E-06 0.100000E-04    0.991125E+00
  88   -0.231000E-04    0.620346E+02  0.372372E-06 0.100000E-04    0.970219E+00
  89    0.154558E-04    0.599713E+02 -0.257720E-06 0.100000E-04    0.949070E+00
  90    0.444510E-04    0.593856E+02 -0.748515E-06 0.100000E-04    0.997318E+00
  91   -0.552375E-04    0.585348E+02  0.943669E-06 0.100000E-04    0.981523E+00
  92   -0.616418E-04    0.560035E+02  0.110068E-05 0.100000E-04    0.994706E+00
  93   -0.311230E-04    0.525383E+02  0.592387E-06 0.100000E-04    0.967648E+00
  94   -0.546907E-04    0.522501E+02  0.104671E-05 0.100000E-04    0.997770E+00
  95   -0.102633E-05    0.500272E+02  0.205154E-07 0.100000E-04    0.636968E+00
  96    0.138694E-04    0.466682E+02 -0.297193E-06 0.100000E-04    0.981745E+00
  97   -0.317779E-04    0.430507E+02  0.738152E-06 0.100000E-04    0.957110E+00
  98    0.569593E-04    0.407732E+02 -0.139698E-05 0.100000E-04    0.992040E+00
  99   -0.106758E-03    0.378816E+02  0.281820E-05 0.100000E-04    0.987651E+00
 100    0.724370E-04    0.364437E+02 -0.198764E-05 0.100000E-04    0.987576E+00
 101    0.509657E-05    0.328896E+02 -0.154960E-06 0.100000E-04    0.648731E+00
 102    0.112797E-03    0.287920E+02 -0.391765E-05 0.100000E-04    0.995739E+00
 103    0.538433E-04    0.284782E+02 -0.189068E-05 0.100000E-04    0.990504E+00
 104   -0.154355E-03    0.264549E+02  0.583464E-05 0.100000E-04    0.995130E+00
 105   -0.714011E-04    0.232565E+02  0.307016E-05 0.100000E-04    0.977953E+00
 106   -0.447666E-04    0.211692E+02  0.211471E-05 0.100000E-04    0.938639E+00
 107   -0.570256E-04    0.201888E+02  0.282461E-05 0.100000E-04    0.923386E+00
 108   -0.247536E-04    0.166339E+02  0.148814E-05 0.100000E-04    0.727442E+00
 109   -0.779841E-04    0.138660E+02  0.562414E-05 0.100000E-04    0.976452E+00
 110   -0.148760E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.732670E+00
 111    0.681313E-04    0.100728E+02 -0.676392E-05 0.100000E-04    0.979247E+00
 112    0.226905E-01    0.851606E+01 -0.287137E-04 0.287137E-04    0.198844E+00
 113   -0.454752E-01    0.600562E+01  0.864629E-04 0.864629E-04    0.195654E+00
 114   -0.865248E+00    0.345984E+01 -0.400000E-03 0.400000E-03    0.411908E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2361382590    

 Beginning of optimization cycle  470.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3138524593
 potential> RMS force:                                               0.0813154164   |gradient|=.8682110640    
 Eigenvalues of the Hessian matrix:
   742.71251    674.56567    629.02909    602.09359    586.95711    577.35279 
   566.66988    486.66647    461.76985    460.38229    441.78081    428.83444 
   422.09455    408.55152    396.68900    388.19662    369.36488    360.65663 
   349.73738    334.98996    328.27661    321.82600    319.19832    310.19180 
   301.64160    290.06285    278.34758    272.05114    268.01166    264.76275 
   262.48923    253.59451    241.60354    240.08344    233.76233    227.60491 
   217.35414    214.74038    213.20491    207.31770    203.32522    196.16714 
   194.77713    191.30031    182.98200    174.05692    172.32918    167.92832 
   163.76511    157.38755    154.62910    152.12911    147.28254    143.51550 
   137.69496    135.91374    130.46673    128.64664    126.67714    124.78277 
   119.94101    118.15367    117.09341    110.38436    107.08311    104.42220 
   102.94136     99.64155     95.97618     94.15966     92.75405     91.00694 
    88.86321     85.40011     80.84450     80.15112     78.10460     73.24151 
    72.74365     68.13505     65.16085     62.02074     59.97084     59.38587 
    58.52649     56.00227     52.53753     52.24799     50.02831     46.65976 
    43.05453     40.77620     37.88333     36.44388     32.87659     28.79258 
    28.47713     26.44862     23.25812     21.17330     20.18051     16.63130 
    13.86663     12.23904     10.07359      8.51828      5.99760      3.45395 
overlap for current and previous eigenvector    109 is         0.9999997533
overlap for current and previous eigenvector    110 is         0.9999997789
overlap for current and previous eigenvector    111 is        -0.9999996955
overlap for current and previous eigenvector    112 is         0.9999996953
overlap for current and previous eigenvector    113 is         0.9999989844
overlap for current and previous eigenvector    114 is         0.9999991877
J1,K1,R1,R2,RAT=   7   7   -0.4507891874E-02     2.004307760        0.9954921081    
FOB,PFOB,DIAG,PSTEP=   -0.9002557287E-05   -0.8962152828E-05     742.7125124        0.1206799344E-07
J1,K1,R1,R2,RAT=   8   8   -0.1445731327E-01     2.014448369        0.9855426867    
FOB,PFOB,DIAG,PSTEP=   -0.8663575686E-05   -0.8540108116E-05     674.5656669        0.1266021490E-07
J1,K1,R1,R2,RAT=   9   9   -0.5788566117E-01     2.057814025        0.9421143388    
FOB,PFOB,DIAG,PSTEP=   -0.5069810842E-05   -0.4792390228E-05     629.0290925        0.7618982884E-08
J1,K1,R1,R2,RAT=  10  10    0.1853536270E-02     1.998224108        0.9981464637    
FOB,PFOB,DIAG,PSTEP=    0.3290392106E-05    0.3296502055E-05     602.0935884       -0.5474853323E-08
J1,K1,R1,R2,RAT=  11  11    0.2303783758E-01     1.976991973        0.9769621624    
FOB,PFOB,DIAG,PSTEP=   -0.2299401045E-05   -0.2353622612E-05     586.9571092        0.4009811781E-08
J1,K1,R1,R2,RAT= 109 109   -0.2547718474E-01     2.025380119        0.9745228153    
FOB,PFOB,DIAG,PSTEP=   -0.7997104491E-04   -0.7798413233E-04     13.86663408        0.5624141869E-05
J1,K1,R1,R2,RAT= 110 110   -0.2315071679         243.3217474        0.7684928321    
FOB,PFOB,DIAG,PSTEP=   -0.1490429443E-01   -0.1487596016E-01     12.23904353        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.019150596       -0.1931591906E-01    0.9806840809    
FOB,PFOB,DIAG,PSTEP=   -0.6944742722E-04    0.6813129975E-04     10.07359135       -0.6763916633E-05
J1,K1,R1,R2,RAT= 112 112   -0.7330636251         186.2710932        0.2669363749    
FOB,PFOB,DIAG,PSTEP=    0.2286979113E-01    0.2269049017E-01     8.518281816       -0.2871368485E-04
J1,K1,R1,R2,RAT= 113 113   -0.7931080600         176.1800243        0.2068919400    
FOB,PFOB,DIAG,PSTEP=   -0.4588648658E-01   -0.4547520447E-01     5.997600054        0.8646293274E-04
J1,K1,R1,R2,RAT= 114 114    0.9554712881        -1253.502762        0.4452871189E-01
FOB,PFOB,DIAG,PSTEP=   -0.8665676920       -0.8652476313         3.453951949       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001     -0.00002      0.00003     -0.00001     -0.00002 
    -0.00003     -0.00002      0.00001      0.00004      0.00002     -0.00001 
    -0.00002     -0.00001      0.00001      0.00004     -0.00001      0.00009 
     0.00003      0.00002     -0.00008     -0.00001     -0.00005      0.00002 
     0.00001      0.00002     -0.00003      0.00002      0.00001     -0.00006 
    -0.00001     -0.00002     -0.00005      0.00002     -0.00002     -0.00004 
    -0.00005      0.00006      0.00003      0.00005     -0.00000      0.00001 
    -0.00003     -0.00006      0.00011      0.00007     -0.00000      0.00011 
    -0.00005      0.00016      0.00007      0.00004     -0.00006      0.00003 
    -0.00008     -0.01490     -0.00007      0.02287     -0.04589     -0.86657 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3954137775
 Log product of positive Hessian eigenvalues =          519.2226412004
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4539519491
 Unscaled step for mode    7=        0.0000000121
 Unscaled step for mode    8=        0.0000000128
 Unscaled step for mode    9=        0.0000000081
 Unscaled step for mode   10=       -0.0000000055
 Unscaled step for mode   11=        0.0000000039
 Unscaled step for mode   12=        0.0000000192
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=       -0.0000000125
 Unscaled step for mode   15=       -0.0000000044
 Unscaled step for mode   16=       -0.0000000145
 Unscaled step for mode   17=       -0.0000000051
 Unscaled step for mode   18=       -0.0000000073
 Unscaled step for mode   19=        0.0000000484
 Unscaled step for mode   20=       -0.0000000054
 Unscaled step for mode   21=       -0.0000000067
 Unscaled step for mode   22=        0.0000000358
 Unscaled step for mode   23=       -0.0000000112
 Unscaled step for mode   24=        0.0000000235
 Unscaled step for mode   25=        0.0000000696
 Unscaled step for mode   26=        0.0000001068
 Unscaled step for mode   27=        0.0000000501
 Unscaled step for mode   28=       -0.0000000305
 Unscaled step for mode   29=       -0.0000001048
 Unscaled step for mode   30=        0.0000000794
 Unscaled step for mode   31=        0.0000000885
 Unscaled step for mode   32=        0.0000000509
 Unscaled step for mode   33=       -0.0000000548
 Unscaled step for mode   34=        0.0000000750
 Unscaled step for mode   35=       -0.0000001004
 Unscaled step for mode   36=       -0.0000001089
 Unscaled step for mode   37=       -0.0000000742
 Unscaled step for mode   38=       -0.0000000265
 Unscaled step for mode   39=        0.0000000890
 Unscaled step for mode   40=        0.0000001516
 Unscaled step for mode   41=        0.0000002157
 Unscaled step for mode   42=        0.0000001127
 Unscaled step for mode   43=        0.0000000896
 Unscaled step for mode   44=        0.0000002255
 Unscaled step for mode   45=       -0.0000000490
 Unscaled step for mode   46=       -0.0000001841
 Unscaled step for mode   47=        0.0000001292
 Unscaled step for mode   48=       -0.0000000241
 Unscaled step for mode   49=       -0.0000001707
 Unscaled step for mode   50=        0.0000000145
 Unscaled step for mode   51=        0.0000000967
 Unscaled step for mode   52=       -0.0000000487
 Unscaled step for mode   53=       -0.0000000853
 Unscaled step for mode   54=        0.0000001533
 Unscaled step for mode   55=       -0.0000001560
 Unscaled step for mode   56=        0.0000000653
 Unscaled step for mode   57=        0.0000001061
 Unscaled step for mode   58=       -0.0000001881
 Unscaled step for mode   59=        0.0000000632
 Unscaled step for mode   60=        0.0000001692
 Unscaled step for mode   61=        0.0000002448
 Unscaled step for mode   62=        0.0000001653
 Unscaled step for mode   63=       -0.0000000706
 Unscaled step for mode   64=       -0.0000003409
 Unscaled step for mode   65=       -0.0000001556
 Unscaled step for mode   66=        0.0000000516
 Unscaled step for mode   67=        0.0000001846
 Unscaled step for mode   68=        0.0000000599
 Unscaled step for mode   69=       -0.0000000767
 Unscaled step for mode   70=       -0.0000003239
 Unscaled step for mode   71=        0.0000000678
 Unscaled step for mode   72=       -0.0000008250
 Unscaled step for mode   73=       -0.0000002518
 Unscaled step for mode   74=       -0.0000001859
 Unscaled step for mode   75=        0.0000008173
 Unscaled step for mode   76=        0.0000000966
 Unscaled step for mode   77=        0.0000005694
 Unscaled step for mode   78=       -0.0000001866
 Unscaled step for mode   79=       -0.0000000619
 Unscaled step for mode   80=       -0.0000002176
 Unscaled step for mode   81=        0.0000004003
 Unscaled step for mode   82=       -0.0000002899
 Unscaled step for mode   83=       -0.0000001460
 Unscaled step for mode   84=        0.0000007988
 Unscaled step for mode   85=        0.0000001479
 Unscaled step for mode   86=        0.0000003144
 Unscaled step for mode   87=        0.0000007134
 Unscaled step for mode   88=       -0.0000003841
 Unscaled step for mode   89=        0.0000002713
 Unscaled step for mode   90=        0.0000007470
 Unscaled step for mode   91=        0.0000009239
 Unscaled step for mode   92=       -0.0000011071
 Unscaled step for mode   93=       -0.0000006123
 Unscaled step for mode   94=       -0.0000010439
 Unscaled step for mode   95=        0.0000000075
 Unscaled step for mode   96=       -0.0000002912
 Unscaled step for mode   97=        0.0000007021
 Unscaled step for mode   98=        0.0000013850
 Unscaled step for mode   99=       -0.0000027800
 Unscaled step for mode  100=       -0.0000019612
 Unscaled step for mode  101=        0.0000000620
 Unscaled step for mode  102=       -0.0000038991
 Unscaled step for mode  103=        0.0000019117
 Unscaled step for mode  104=       -0.0000058654
 Unscaled step for mode  105=       -0.0000029950
 Unscaled step for mode  106=       -0.0000019698
 Unscaled step for mode  107=        0.0000030499
 Unscaled step for mode  108=       -0.0000018445
 Unscaled step for mode  109=        0.0000057672
 Unscaled step for mode  110=        0.0012177645
 Unscaled step for mode  111=        0.0000068940
 Unscaled step for mode  112=       -0.0026847699
 Unscaled step for mode  113=        0.0076503602
 Unscaled step for mode  114=       -0.2368206361
 Largest modulus ratio of non-zero e/values=           215.0326708    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.122645E-14    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.158391E-14    0.100675E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.105333E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.563785E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.246464E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.666310E-15    0.974135E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.900256E-05    0.742713E+03  0.121212E-07 0.100000E-04    0.995492E+00
   8   -0.866358E-05    0.674566E+03  0.128432E-07 0.100000E-04    0.985543E+00
   9   -0.506981E-05    0.629029E+03  0.805974E-08 0.100000E-04    0.942114E+00
  10    0.329039E-05    0.602094E+03 -0.546492E-08 0.100000E-04    0.998146E+00
  11   -0.229940E-05    0.586957E+03  0.391749E-08 0.100000E-04    0.976962E+00
  12   -0.111115E-04    0.577353E+03  0.192456E-07 0.100000E-04    0.964437E+00
  13   -0.335494E-05    0.566670E+03  0.592045E-08 0.100000E-04    0.988397E+00
  14    0.607529E-05    0.486666E+03 -0.124835E-07 0.100000E-04    0.968827E+00
  15    0.204873E-05    0.461770E+03 -0.443669E-08 0.100000E-04    0.941943E+00
  16    0.666162E-05    0.460382E+03 -0.144698E-07 0.100000E-04    0.981151E+00
  17    0.223394E-05    0.441781E+03 -0.505667E-08 0.100000E-04    0.904229E+00
  18    0.313007E-05    0.428834E+03 -0.729903E-08 0.100000E-04    0.942704E+00
  19   -0.204093E-04    0.422095E+03  0.483525E-07 0.100000E-04    0.996637E+00
  20    0.222073E-05    0.408552E+03 -0.543561E-08 0.100000E-04    0.917986E+00
  21    0.267528E-05    0.396689E+03 -0.674402E-08 0.100000E-04    0.931390E+00
  22   -0.138813E-04    0.388197E+03  0.357583E-07 0.100000E-04    0.987217E+00
  23    0.412861E-05    0.369365E+03 -0.111776E-07 0.100000E-04    0.924118E+00
  24   -0.848923E-05    0.360657E+03  0.235383E-07 0.100000E-04    0.981039E+00
  25   -0.243557E-04    0.349737E+03  0.696401E-07 0.100000E-04    0.995498E+00
  26   -0.357776E-04    0.334990E+03  0.106802E-06 0.100000E-04    0.995492E+00
  27   -0.164579E-04    0.328277E+03  0.501342E-07 0.100000E-04    0.987700E+00
  28    0.980453E-05    0.321826E+03 -0.304653E-07 0.100000E-04    0.980936E+00
  29    0.334423E-04    0.319198E+03 -0.104770E-06 0.100000E-04    0.997793E+00
  30   -0.246179E-04    0.310192E+03  0.793634E-07 0.100000E-04    0.988770E+00
  31   -0.266856E-04    0.301642E+03  0.884678E-07 0.100000E-04    0.991412E+00
  32   -0.147767E-04    0.290063E+03  0.509430E-07 0.100000E-04    0.974906E+00
  33    0.152595E-04    0.278348E+03 -0.548217E-07 0.100000E-04    0.995983E+00
  34   -0.203984E-04    0.272051E+03  0.749800E-07 0.100000E-04    0.999497E+00
  35    0.269051E-04    0.268012E+03 -0.100388E-06 0.100000E-04    0.992513E+00
  36    0.288205E-04    0.264763E+03 -0.108854E-06 0.100000E-04    0.985523E+00
  37    0.194882E-04    0.262489E+03 -0.742440E-07 0.100000E-04    0.988829E+00
  38    0.672155E-05    0.253595E+03 -0.265051E-07 0.100000E-04    0.991395E+00
  39   -0.215078E-04    0.241604E+03  0.890211E-07 0.100000E-04    0.994256E+00
  40   -0.363906E-04    0.240083E+03  0.151575E-06 0.100000E-04    0.988574E+00
  41   -0.504206E-04    0.233762E+03  0.215692E-06 0.100000E-04    0.997412E+00
  42   -0.256540E-04    0.227605E+03  0.112713E-06 0.100000E-04    0.980462E+00
  43   -0.194682E-04    0.217354E+03  0.895689E-07 0.100000E-04    0.998433E+00
  44   -0.484260E-04    0.214740E+03  0.225509E-06 0.100000E-04    0.988001E+00
  45    0.104456E-04    0.213205E+03 -0.489934E-07 0.100000E-04    0.979202E+00
  46    0.381628E-04    0.207318E+03 -0.184079E-06 0.100000E-04    0.994662E+00
  47   -0.262716E-04    0.203325E+03  0.129210E-06 0.100000E-04    0.995981E+00
  48    0.471783E-05    0.196167E+03 -0.240501E-07 0.100000E-04    0.932602E+00
  49    0.332423E-04    0.194777E+03 -0.170668E-06 0.100000E-04    0.996171E+00
  50   -0.277705E-05    0.191300E+03  0.145167E-07 0.100000E-04    0.830582E+00
  51   -0.176963E-04    0.182982E+03  0.967105E-07 0.100000E-04    0.991639E+00
  52    0.848130E-05    0.174057E+03 -0.487272E-07 0.100000E-04    0.983713E+00
  53    0.147083E-04    0.172329E+03 -0.853499E-07 0.100000E-04    0.991261E+00
  54   -0.257486E-04    0.167928E+03  0.153331E-06 0.100000E-04    0.998777E+00
  55    0.255486E-04    0.163765E+03 -0.156008E-06 0.100000E-04    0.993011E+00
  56   -0.102717E-04    0.157388E+03  0.652635E-07 0.100000E-04    0.956890E+00
  57   -0.164022E-04    0.154629E+03  0.106075E-06 0.100000E-04    0.988939E+00
  58    0.286186E-04    0.152129E+03 -0.188120E-06 0.100000E-04    0.996240E+00
  59   -0.930804E-05    0.147283E+03  0.631985E-07 0.100000E-04    0.977268E+00
  60   -0.242895E-04    0.143516E+03  0.169247E-06 0.100000E-04    0.991654E+00
  61   -0.337048E-04    0.137695E+03  0.244779E-06 0.100000E-04    0.984528E+00
  62   -0.224622E-04    0.135914E+03  0.165268E-06 0.100000E-04    0.996327E+00
  63    0.920764E-05    0.130467E+03 -0.705746E-07 0.100000E-04    0.925554E+00
  64    0.438503E-04    0.128647E+03 -0.340858E-06 0.100000E-04    0.998639E+00
  65    0.197131E-04    0.126677E+03 -0.155617E-06 0.100000E-04    0.969038E+00
  66   -0.643635E-05    0.124783E+03  0.515804E-07 0.100000E-04    0.965167E+00
  67   -0.221384E-04    0.119941E+03  0.184577E-06 0.100000E-04    0.972409E+00
  68   -0.707743E-05    0.118154E+03  0.599003E-07 0.100000E-04    0.973958E+00
  69    0.898245E-05    0.117093E+03 -0.767118E-07 0.100000E-04    0.991741E+00
  70    0.357502E-04    0.110384E+03 -0.323870E-06 0.100000E-04    0.991832E+00
  71   -0.726194E-05    0.107083E+03  0.678159E-07 0.100000E-04    0.984934E+00
  72    0.861495E-04    0.104422E+03 -0.825011E-06 0.100000E-04    0.999772E+00
  73    0.259213E-04    0.102941E+03 -0.251807E-06 0.100000E-04    0.988520E+00
  74    0.185203E-04    0.996416E+02 -0.185869E-06 0.100000E-04    0.988533E+00
  75   -0.784423E-04    0.959762E+02  0.817310E-06 0.100000E-04    0.993927E+00
  76   -0.909145E-05    0.941597E+02  0.965536E-07 0.100000E-04    0.938266E+00
  77   -0.528121E-04    0.927541E+02  0.569378E-06 0.100000E-04    0.993244E+00
  78    0.169851E-04    0.910069E+02 -0.186635E-06 0.100000E-04    0.981388E+00
  79    0.550137E-05    0.888632E+02 -0.619083E-07 0.100000E-04    0.993376E+00
  80    0.185859E-04    0.854001E+02 -0.217634E-06 0.100000E-04    0.994521E+00
  81   -0.323594E-04    0.808445E+02  0.400267E-06 0.100000E-04    0.991599E+00
  82    0.232385E-04    0.801511E+02 -0.289933E-06 0.100000E-04    0.983817E+00
  83    0.114012E-04    0.781046E+02 -0.145974E-06 0.100000E-04    0.973696E+00
  84   -0.585086E-04    0.732415E+02  0.798845E-06 0.100000E-04    0.991555E+00
  85   -0.107553E-04    0.727436E+02  0.147852E-06 0.100000E-04    0.919291E+00
  86   -0.214199E-04    0.681351E+02  0.314374E-06 0.100000E-04    0.985301E+00
  87   -0.464890E-04    0.651609E+02  0.713450E-06 0.100000E-04    0.989569E+00
  88    0.238252E-04    0.620207E+02 -0.384148E-06 0.100000E-04    0.968600E+00
  89   -0.162707E-04    0.599708E+02  0.271311E-06 0.100000E-04    0.947273E+00
  90   -0.443626E-04    0.593859E+02  0.747022E-06 0.100000E-04    0.998000E+00
  91   -0.540703E-04    0.585265E+02  0.923860E-06 0.100000E-04    0.978865E+00
  92    0.620025E-04    0.560023E+02 -0.110714E-05 0.100000E-04    0.994150E+00
  93    0.321670E-04    0.525375E+02 -0.612267E-06 0.100000E-04    0.966454E+00
  94    0.545428E-04    0.522480E+02 -0.104392E-05 0.100000E-04    0.997296E+00
  95   -0.375207E-06    0.500283E+02  0.749989E-08 0.100000E-04    0.365551E+00
  96    0.135857E-04    0.466598E+02 -0.291165E-06 0.100000E-04    0.979539E+00
  97   -0.302273E-04    0.430545E+02  0.702070E-06 0.100000E-04    0.951029E+00
  98   -0.564771E-04    0.407762E+02  0.138505E-05 0.100000E-04    0.991387E+00
  99    0.105315E-03    0.378833E+02 -0.277999E-05 0.100000E-04    0.986397E+00
 100    0.714751E-04    0.364439E+02 -0.196124E-05 0.100000E-04    0.986713E+00
 101   -0.203903E-05    0.328766E+02  0.620209E-07 0.100000E-04    0.399843E+00
 102    0.112265E-03    0.287926E+02 -0.389908E-05 0.100000E-04    0.995240E+00
 103   -0.544385E-04    0.284771E+02  0.191166E-05 0.100000E-04    0.988946E+00
 104    0.155132E-03    0.264486E+02 -0.586543E-05 0.100000E-04    0.994959E+00
 105    0.696583E-04    0.232581E+02 -0.299501E-05 0.100000E-04    0.975454E+00
 106    0.417081E-04    0.211733E+02 -0.196985E-05 0.100000E-04    0.931305E+00
 107   -0.615478E-04    0.201805E+02  0.304986E-05 0.100000E-04    0.920666E+00
 108    0.306756E-04    0.166313E+02 -0.184445E-05 0.100000E-04    0.760722E+00
 109   -0.799710E-04    0.138666E+02  0.576716E-05 0.100000E-04    0.974523E+00
 110   -0.149043E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.768493E+00
 111   -0.694474E-04    0.100736E+02  0.689401E-05 0.100000E-04    0.980684E+00
 112    0.228698E-01    0.851828E+01 -0.258682E-04 0.258682E-04    0.266936E+00
 113   -0.458865E-01    0.599760E+01  0.778945E-04 0.778945E-04    0.206892E+00
 114   -0.866568E+00    0.345395E+01 -0.400000E-03 0.400000E-03    0.445287E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2368206361    

 Beginning of optimization cycle  471.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3135098515
 potential> RMS force:                                               0.0814414035   |gradient|=.8695562386    
 Eigenvalues of the Hessian matrix:
   742.78627    674.56925    629.05070    602.07073    586.94869    577.39188 
   566.65685    486.69231    461.74689    460.37378    441.78395    428.83216 
   422.09388    408.54986    396.68407    388.18731    369.37888    360.65064 
   349.72870    334.99165    328.29663    321.83031    319.18543    310.17970 
   301.62167    290.07450    278.34911    272.06462    268.02021    264.76382 
   262.51650    253.58730    241.59862    240.09670    233.75928    227.59739 
   217.33776    214.74552    213.20970    207.32207    203.32042    196.15442 
   194.77435    191.29929    182.97453    174.05595    172.32876    167.93278 
   163.75453    157.37544    154.63322    152.13409    147.27134    143.51589 
   137.70072    135.91281    130.46522    128.65005    126.68195    124.77405 
   119.94194    118.15397    117.09203    110.38157    107.07913    104.42076 
   102.93888     99.64028     95.98077     94.16252     92.73592     91.01014 
    88.85570     85.40308     80.84368     80.15468     78.10257     73.24571 
    72.74513     68.13318     65.15379     62.00692     59.97029     59.38617 
    58.51811     56.00104     52.53683     52.24600     50.02925     46.65148 
    43.05820     40.77923     37.88508     36.44410     32.86367     28.79305 
    28.47602     26.44231     23.25974     21.17740     20.17214     16.62866 
    13.86729     12.23905     10.07445      8.51998      5.98940      3.44809 
overlap for current and previous eigenvector    109 is         0.9999997693
overlap for current and previous eigenvector    110 is        -0.9999997780
overlap for current and previous eigenvector    111 is         0.9999997116
overlap for current and previous eigenvector    112 is         0.9999997277
overlap for current and previous eigenvector    113 is         0.9999990998
overlap for current and previous eigenvector    114 is         0.9999992857
J1,K1,R1,R2,RAT=   7   7   -0.2010641412E-02     2.001812045        0.9979893586    
FOB,PFOB,DIAG,PSTEP=   -0.9020659999E-05   -0.9002557287E-05     742.7862696        0.1212118705E-07
J1,K1,R1,R2,RAT=   8   8    0.1089428526E-01     1.989095080        0.9890950795    
FOB,PFOB,DIAG,PSTEP=   -0.8569191720E-05   -0.8663575686E-05     674.5692540        0.1284319098E-07
J1,K1,R1,R2,RAT=   9   9    0.4789786236E-01     1.952033453        0.9520334528    
FOB,PFOB,DIAG,PSTEP=   -0.4826969400E-05   -0.5069810842E-05     629.0506956        0.8059739847E-08
J1,K1,R1,R2,RAT=  10  10   -0.1769007760E-01     2.017766014        0.9823099224    
FOB,PFOB,DIAG,PSTEP=    0.3348597188E-05    0.3290392106E-05     602.0707288       -0.5464918029E-08
J1,K1,R1,R2,RAT=  11  11   -0.5451597565E-01     2.054544661        0.9454840243    
FOB,PFOB,DIAG,PSTEP=   -0.2424753339E-05   -0.2299401045E-05     586.9486909        0.3917494156E-08
J1,K1,R1,R2,RAT= 109 109    0.3605773229E-01     1.963848092        0.9638480921    
FOB,PFOB,DIAG,PSTEP=   -0.7708733459E-04   -0.7997104491E-04     13.86728706        0.5767156215E-05
J1,K1,R1,R2,RAT= 110 110     243.8268082       -0.2737537153        0.7262462847    
FOB,PFOB,DIAG,PSTEP=    0.1493779929E-01   -0.1490429443E-01     12.23905359        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1369576787E-01     1.986133409        0.9861334092    
FOB,PFOB,DIAG,PSTEP=   -0.6849621013E-04   -0.6944742722E-04     10.07445182        0.6894008782E-05
J1,K1,R1,R2,RAT= 112 112   -0.8152789445         208.3484346        0.1847210555    
FOB,PFOB,DIAG,PSTEP=    0.2304947576E-01    0.2286979113E-01     8.519983492       -0.2586818455E-04
J1,K1,R1,R2,RAT= 113 113   -0.8439838127         197.5531044        0.1560161873    
FOB,PFOB,DIAG,PSTEP=   -0.4628024008E-01   -0.4588648658E-01     5.989400044        0.7789453400E-04
J1,K1,R1,R2,RAT= 114 114    0.9581281367        -1257.549089        0.4187186325E-01
FOB,PFOB,DIAG,PSTEP=   -0.8678891768       -0.8665676920         3.448089788       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00000      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00001 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
    -0.00003      0.00001      0.00002     -0.00003      0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001     -0.00001      0.00004      0.00001      0.00009 
    -0.00003      0.00002     -0.00008     -0.00001      0.00005      0.00002 
     0.00001      0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00001     -0.00002     -0.00005     -0.00002      0.00002      0.00004 
     0.00006     -0.00006     -0.00003     -0.00005     -0.00000     -0.00001 
    -0.00003      0.00006      0.00011     -0.00007     -0.00000     -0.00011 
     0.00005      0.00015      0.00007     -0.00005     -0.00006     -0.00003 
    -0.00008      0.01494     -0.00007      0.02305     -0.04628     -0.86789 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3951342302
 Log product of positive Hessian eigenvalues =          519.2181816113
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4480897877
 Unscaled step for mode    7=        0.0000000121
 Unscaled step for mode    8=        0.0000000127
 Unscaled step for mode    9=        0.0000000077
 Unscaled step for mode   10=       -0.0000000056
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000186
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000123
 Unscaled step for mode   15=       -0.0000000049
 Unscaled step for mode   16=       -0.0000000147
 Unscaled step for mode   17=       -0.0000000056
 Unscaled step for mode   18=       -0.0000000078
 Unscaled step for mode   19=        0.0000000487
 Unscaled step for mode   20=       -0.0000000059
 Unscaled step for mode   21=       -0.0000000072
 Unscaled step for mode   22=        0.0000000354
 Unscaled step for mode   23=       -0.0000000103
 Unscaled step for mode   24=        0.0000000232
 Unscaled step for mode   25=        0.0000000702
 Unscaled step for mode   26=        0.0000001072
 Unscaled step for mode   27=        0.0000000507
 Unscaled step for mode   28=       -0.0000000309
 Unscaled step for mode   29=       -0.0000001055
 Unscaled step for mode   30=        0.0000000785
 Unscaled step for mode   31=        0.0000000881
 Unscaled step for mode   32=        0.0000000502
 Unscaled step for mode   33=       -0.0000000550
 Unscaled step for mode   34=        0.0000000753
 Unscaled step for mode   35=       -0.0000000996
 Unscaled step for mode   36=       -0.0000001081
 Unscaled step for mode   37=       -0.0000000747
 Unscaled step for mode   38=       -0.0000000265
 Unscaled step for mode   39=        0.0000000896
 Unscaled step for mode   40=        0.0000001511
 Unscaled step for mode   41=        0.0000002151
 Unscaled step for mode   42=        0.0000001112
 Unscaled step for mode   43=        0.0000000886
 Unscaled step for mode   44=        0.0000002239
 Unscaled step for mode   45=       -0.0000000499
 Unscaled step for mode   46=       -0.0000001836
 Unscaled step for mode   47=        0.0000001280
 Unscaled step for mode   48=       -0.0000000255
 Unscaled step for mode   49=       -0.0000001701
 Unscaled step for mode   50=        0.0000000174
 Unscaled step for mode   51=        0.0000000973
 Unscaled step for mode   52=       -0.0000000500
 Unscaled step for mode   53=       -0.0000000863
 Unscaled step for mode   54=        0.0000001543
 Unscaled step for mode   55=        0.0000001557
 Unscaled step for mode   56=       -0.0000000626
 Unscaled step for mode   57=       -0.0000001085
 Unscaled step for mode   58=        0.0000001878
 Unscaled step for mode   59=       -0.0000000622
 Unscaled step for mode   60=       -0.0000001711
 Unscaled step for mode   61=       -0.0000002494
 Unscaled step for mode   62=       -0.0000001636
 Unscaled step for mode   63=       -0.0000000739
 Unscaled step for mode   64=       -0.0000003425
 Unscaled step for mode   65=        0.0000001607
 Unscaled step for mode   66=       -0.0000000515
 Unscaled step for mode   67=        0.0000001813
 Unscaled step for mode   68=        0.0000000614
 Unscaled step for mode   69=        0.0000000788
 Unscaled step for mode   70=       -0.0000003214
 Unscaled step for mode   71=       -0.0000000656
 Unscaled step for mode   72=       -0.0000008276
 Unscaled step for mode   73=        0.0000002535
 Unscaled step for mode   74=       -0.0000001870
 Unscaled step for mode   75=        0.0000008199
 Unscaled step for mode   76=        0.0000000946
 Unscaled step for mode   77=       -0.0000005736
 Unscaled step for mode   78=       -0.0000001933
 Unscaled step for mode   79=       -0.0000000609
 Unscaled step for mode   80=       -0.0000002175
 Unscaled step for mode   81=       -0.0000003991
 Unscaled step for mode   82=       -0.0000002869
 Unscaled step for mode   83=        0.0000001492
 Unscaled step for mode   84=       -0.0000008085
 Unscaled step for mode   85=        0.0000001547
 Unscaled step for mode   86=        0.0000003228
 Unscaled step for mode   87=        0.0000007240
 Unscaled step for mode   88=        0.0000003751
 Unscaled step for mode   89=       -0.0000002633
 Unscaled step for mode   90=       -0.0000007444
 Unscaled step for mode   91=       -0.0000009485
 Unscaled step for mode   92=        0.0000011006
 Unscaled step for mode   93=        0.0000006116
 Unscaled step for mode   94=        0.0000010450
 Unscaled step for mode   95=        0.0000000143
 Unscaled step for mode   96=        0.0000003072
 Unscaled step for mode   97=        0.0000007408
 Unscaled step for mode   98=       -0.0000014082
 Unscaled step for mode   99=       -0.0000028151
 Unscaled step for mode  100=        0.0000019874
 Unscaled step for mode  101=        0.0000001252
 Unscaled step for mode  102=        0.0000039313
 Unscaled step for mode  103=       -0.0000018910
 Unscaled step for mode  104=       -0.0000058409
 Unscaled step for mode  105=       -0.0000030873
 Unscaled step for mode  106=        0.0000021267
 Unscaled step for mode  107=        0.0000028790
 Unscaled step for mode  108=        0.0000015365
 Unscaled step for mode  109=        0.0000055589
 Unscaled step for mode  110=       -0.0012205010
 Unscaled step for mode  111=        0.0000067990
 Unscaled step for mode  112=       -0.0027053230
 Unscaled step for mode  113=        0.0077265631
 Unscaled step for mode  114=       -0.2375034915
 Largest modulus ratio of non-zero e/values=           215.4196426    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.551967E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.148091E-14    0.100675E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.157439E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.109288E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.145012E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.102620E-15    0.974137E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.902066E-05    0.742786E+03  0.121444E-07 0.100000E-04    0.997989E+00
   8   -0.856919E-05    0.674569E+03  0.127032E-07 0.100000E-04    0.989095E+00
   9   -0.482697E-05    0.629051E+03  0.767342E-08 0.100000E-04    0.952033E+00
  10    0.334860E-05    0.602071E+03 -0.556180E-08 0.100000E-04    0.982310E+00
  11   -0.242475E-05    0.586949E+03  0.413112E-08 0.100000E-04    0.945484E+00
  12   -0.107654E-04    0.577392E+03  0.186449E-07 0.100000E-04    0.968721E+00
  13   -0.340778E-05    0.566657E+03  0.601383E-08 0.100000E-04    0.984250E+00
  14    0.596940E-05    0.486692E+03 -0.122652E-07 0.100000E-04    0.982466E+00
  15    0.224378E-05    0.461747E+03 -0.485932E-08 0.100000E-04    0.904792E+00
  16    0.677290E-05    0.460374E+03 -0.147117E-07 0.100000E-04    0.983295E+00
  17    0.248374E-05    0.441784E+03 -0.562207E-08 0.100000E-04    0.888179E+00
  18    0.334073E-05    0.428832E+03 -0.779029E-08 0.100000E-04    0.932700E+00
  19   -0.205425E-04    0.422094E+03  0.486680E-07 0.100000E-04    0.993477E+00
  20    0.240360E-05    0.408550E+03 -0.588325E-08 0.100000E-04    0.917650E+00
  21    0.283893E-05    0.396684E+03 -0.715666E-08 0.100000E-04    0.938826E+00
  22   -0.137598E-04    0.388187E+03  0.354464E-07 0.100000E-04    0.991252E+00
  23    0.379937E-05    0.369379E+03 -0.102858E-07 0.100000E-04    0.920180E+00
  24   -0.835958E-05    0.360651E+03  0.231792E-07 0.100000E-04    0.984727E+00
  25   -0.245616E-04    0.349729E+03  0.702304E-07 0.100000E-04    0.991548E+00
  26   -0.358957E-04    0.334992E+03  0.107154E-06 0.100000E-04    0.996697E+00
  27   -0.166499E-04    0.328297E+03  0.507161E-07 0.100000E-04    0.988333E+00
  28    0.994270E-05    0.321830E+03 -0.308942E-07 0.100000E-04    0.985908E+00
  29    0.336726E-04    0.319185E+03 -0.105495E-06 0.100000E-04    0.993113E+00
  30   -0.243443E-04    0.310180E+03  0.784845E-07 0.100000E-04    0.988886E+00
  31   -0.265599E-04    0.301622E+03  0.880571E-07 0.100000E-04    0.995292E+00
  32   -0.145487E-04    0.290075E+03  0.501552E-07 0.100000E-04    0.984495E+00
  33    0.153020E-04    0.278349E+03 -0.549740E-07 0.100000E-04    0.997215E+00
  34   -0.204952E-04    0.272065E+03  0.753320E-07 0.100000E-04    0.995256E+00
  35    0.266935E-04    0.268020E+03 -0.995952E-07 0.100000E-04    0.992072E+00
  36    0.286309E-04    0.264764E+03 -0.108138E-06 0.100000E-04    0.993414E+00
  37    0.196063E-04    0.262517E+03 -0.746860E-07 0.100000E-04    0.993942E+00
  38    0.670955E-05    0.253587E+03 -0.264585E-07 0.100000E-04    0.998214E+00
  39   -0.216431E-04    0.241599E+03  0.895827E-07 0.100000E-04    0.993712E+00
  40   -0.362717E-04    0.240097E+03  0.151071E-06 0.100000E-04    0.996622E+00
  41   -0.502810E-04    0.233759E+03  0.215097E-06 0.100000E-04    0.997232E+00
  42   -0.253087E-04    0.227597E+03  0.111199E-06 0.100000E-04    0.986541E+00
  43   -0.192492E-04    0.217338E+03  0.885681E-07 0.100000E-04    0.988751E+00
  44   -0.480803E-04    0.214746E+03  0.223894E-06 0.100000E-04    0.992814E+00
  45    0.106476E-04    0.213210E+03 -0.499396E-07 0.100000E-04    0.980664E+00
  46    0.380551E-04    0.207322E+03 -0.183556E-06 0.100000E-04    0.997135E+00
  47   -0.260151E-04    0.203320E+03  0.127951E-06 0.100000E-04    0.990236E+00
  48    0.500831E-05    0.196154E+03 -0.255325E-07 0.100000E-04    0.938426E+00
  49    0.331321E-04    0.194774E+03 -0.170105E-06 0.100000E-04    0.996683E+00
  50   -0.333332E-05    0.191299E+03  0.174246E-07 0.100000E-04    0.799688E+00
  51   -0.178097E-04    0.182975E+03  0.973345E-07 0.100000E-04    0.993589E+00
  52    0.869518E-05    0.174056E+03 -0.499562E-07 0.100000E-04    0.974783E+00
  53    0.148712E-04    0.172329E+03 -0.862955E-07 0.100000E-04    0.988923E+00
  54   -0.259150E-04    0.167933E+03  0.154318E-06 0.100000E-04    0.993539E+00
  55   -0.254886E-04    0.163755E+03  0.155651E-06 0.100000E-04    0.997652E+00
  56    0.985055E-05    0.157375E+03 -0.625927E-07 0.100000E-04    0.958999E+00
  57    0.167814E-04    0.154633E+03 -0.108524E-06 0.100000E-04    0.976885E+00
  58   -0.285763E-04    0.152134E+03  0.187837E-06 0.100000E-04    0.998458E+00
  59    0.915908E-05    0.147271E+03 -0.621919E-07 0.100000E-04    0.983996E+00
  60    0.245501E-04    0.143516E+03 -0.171062E-06 0.100000E-04    0.989272E+00
  61    0.343427E-04    0.137701E+03 -0.249401E-06 0.100000E-04    0.981076E+00
  62    0.222383E-04    0.135913E+03 -0.163622E-06 0.100000E-04    0.990033E+00
  63    0.963903E-05    0.130465E+03 -0.738820E-07 0.100000E-04    0.953147E+00
  64    0.440683E-04    0.128650E+03 -0.342544E-06 0.100000E-04    0.995030E+00
  65   -0.203550E-04    0.126682E+03  0.160678E-06 0.100000E-04    0.967436E+00
  66    0.643188E-05    0.124774E+03 -0.515482E-07 0.100000E-04    0.999305E+00
  67   -0.217440E-04    0.119942E+03  0.181288E-06 0.100000E-04    0.982169E+00
  68   -0.724967E-05    0.118154E+03  0.613579E-07 0.100000E-04    0.975664E+00
  69   -0.922195E-05    0.117092E+03  0.787582E-07 0.100000E-04    0.973336E+00
  70    0.354764E-04    0.110382E+03 -0.321398E-06 0.100000E-04    0.992342E+00
  71    0.702087E-05    0.107079E+03 -0.655671E-07 0.100000E-04    0.966803E+00
  72    0.864234E-04    0.104421E+03 -0.827646E-06 0.100000E-04    0.996820E+00
  73   -0.261001E-04    0.102939E+03  0.253550E-06 0.100000E-04    0.993103E+00
  74    0.186334E-04    0.996403E+02 -0.187007E-06 0.100000E-04    0.993893E+00
  75   -0.786950E-04    0.959808E+02  0.819904E-06 0.100000E-04    0.996778E+00
  76   -0.890560E-05    0.941625E+02  0.945769E-07 0.100000E-04    0.979498E+00
  77    0.531901E-04    0.927359E+02 -0.573565E-06 0.100000E-04    0.992842E+00
  78    0.175921E-04    0.910101E+02 -0.193298E-06 0.100000E-04    0.964267E+00
  79    0.540792E-05    0.888557E+02 -0.608618E-07 0.100000E-04    0.983011E+00
  80    0.185720E-04    0.854031E+02 -0.217463E-06 0.100000E-04    0.999182E+00
  81    0.322651E-04    0.808437E+02 -0.399104E-06 0.100000E-04    0.997085E+00
  82    0.229974E-04    0.801547E+02 -0.286913E-06 0.100000E-04    0.989536E+00
  83   -0.116505E-04    0.781026E+02  0.149169E-06 0.100000E-04    0.978134E+00
  84    0.592161E-04    0.732457E+02 -0.808459E-06 0.100000E-04    0.987908E+00
  85   -0.112528E-04    0.727451E+02  0.154687E-06 0.100000E-04    0.953749E+00
  86   -0.219966E-04    0.681332E+02  0.322847E-06 0.100000E-04    0.973074E+00
  87   -0.471687E-04    0.651538E+02  0.723960E-06 0.100000E-04    0.985377E+00
  88   -0.232569E-04    0.620069E+02  0.375070E-06 0.100000E-04    0.976145E+00
  89    0.157893E-04    0.599703E+02 -0.263285E-06 0.100000E-04    0.970411E+00
  90    0.442086E-04    0.593862E+02 -0.744426E-06 0.100000E-04    0.996520E+00
  91    0.555022E-04    0.585181E+02 -0.948461E-06 0.100000E-04    0.973514E+00
  92   -0.616338E-04    0.560010E+02  0.110058E-05 0.100000E-04    0.994054E+00
  93   -0.321324E-04    0.525368E+02  0.611618E-06 0.100000E-04    0.998926E+00
  94   -0.545969E-04    0.522460E+02  0.104500E-05 0.100000E-04    0.999009E+00
  95   -0.715577E-06    0.500292E+02  0.143032E-07 0.109000E-04    0.928625E-01
  96   -0.143317E-04    0.466515E+02  0.307207E-06 0.100000E-04    0.945082E+00
  97   -0.318964E-04    0.430582E+02  0.740773E-06 0.100000E-04    0.944787E+00
  98    0.574236E-04    0.407792E+02 -0.140816E-05 0.100000E-04    0.983242E+00
  99    0.106650E-03    0.378851E+02 -0.281509E-05 0.100000E-04    0.987331E+00
 100   -0.724302E-04    0.364441E+02  0.198743E-05 0.100000E-04    0.986637E+00
 101   -0.411390E-05    0.328637E+02  0.125181E-06 0.109000E-04    0.179738E-01
 102   -0.113195E-03    0.287931E+02  0.393134E-05 0.100000E-04    0.991709E+00
 103    0.538487E-04    0.284760E+02 -0.189102E-05 0.100000E-04    0.989166E+00
 104    0.154446E-03    0.264423E+02 -0.584086E-05 0.100000E-04    0.995574E+00
 105    0.718099E-04    0.232597E+02 -0.308730E-05 0.100000E-04    0.969114E+00
 106   -0.450375E-04    0.211774E+02  0.212668E-05 0.100000E-04    0.920190E+00
 107   -0.580746E-04    0.201721E+02  0.287895E-05 0.100000E-04    0.943546E+00
 108   -0.255499E-04    0.166287E+02  0.153650E-05 0.100000E-04    0.832877E+00
 109   -0.770873E-04    0.138673E+02  0.555893E-05 0.100000E-04    0.963848E+00
 110    0.149378E-01    0.122391E+02 -0.100000E-04 0.100000E-04    0.726246E+00
 111   -0.684962E-04    0.100745E+02  0.679900E-05 0.100000E-04    0.986133E+00
 112    0.230495E-01    0.851998E+01 -0.281963E-04 0.281963E-04    0.184721E+00
 113   -0.462802E-01    0.598940E+01  0.849050E-04 0.849050E-04    0.156016E+00
 114   -0.867889E+00    0.344809E+01 -0.400000E-03 0.400000E-03    0.418719E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2375034915    

 Beginning of optimization cycle  472.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3131671254
 potential> RMS force:                                               0.0815668942   |gradient|=.8708961121    
 Eigenvalues of the Hessian matrix:
   742.86058    674.57229    629.07314    602.04729    586.94011    577.43099 
   566.64266    486.71782    461.72362    460.36509    441.78692    428.83037 
   422.09296    408.54759    396.67896    388.17751    369.39306    360.64477 
   349.71986    334.99358    328.31693    321.83449    319.17281    310.16745 
   301.60168    290.08609    278.35114    272.07813    268.02881    264.76495 
   262.54409    253.57990    241.59371    240.11015    233.75658    227.58998 
   217.32168    214.75072    213.21439    207.32658    203.31548    196.14153 
   194.77173    191.29845    182.96733    174.05524    172.32837    167.93728 
   163.74389    157.36336    154.63741    152.13896    147.25997    143.51616 
   137.70661    135.91188    130.46360    128.65349    126.68679    124.76502 
   119.94289    118.15429    117.09052    110.37888    107.07509    104.41939 
   102.93641     99.63900     95.98531     94.16524     92.71776     91.01340 
    88.84809     85.40617     80.84290     80.15845     78.10051     73.24983 
    72.74640     68.13125     65.14667     61.99301     59.96972     59.38652 
    58.50972     55.99976     52.53610     52.24390     50.03035     46.64308 
    43.06207     40.78227     37.88678     36.44422     32.85069     28.79360 
    28.47494     26.43610     23.26135     21.18151     20.16380     16.62597 
    13.86795     12.23906     10.07528      8.52216      5.98135      3.44221 
overlap for current and previous eigenvector    109 is        -0.9999997540
overlap for current and previous eigenvector    110 is        -0.9999997809
overlap for current and previous eigenvector    111 is         0.9999996960
overlap for current and previous eigenvector    112 is         0.9999997017
overlap for current and previous eigenvector    113 is        -0.9999989977
overlap for current and previous eigenvector    114 is         0.9999992037
J1,K1,R1,R2,RAT=   7   7   -0.5466088539E-02     2.005266021        0.9945339115    
FOB,PFOB,DIAG,PSTEP=   -0.9069972658E-05   -0.9020659999E-05     742.8605809        0.1214435480E-07
J1,K1,R1,R2,RAT=   8   8   -0.1453459079E-01     2.014525595        0.9854654092    
FOB,PFOB,DIAG,PSTEP=   -0.8693741975E-05   -0.8569191720E-05     674.5722880        0.1270320530E-07
J1,K1,R1,R2,RAT=   9   9   -0.5730065562E-01     2.057229298        0.9426993444    
FOB,PFOB,DIAG,PSTEP=   -0.5103567780E-05   -0.4826969400E-05     629.0731402        0.7673418746E-08
J1,K1,R1,R2,RAT=  10  10    0.6483959444E-02     1.993593907        0.9935160406    
FOB,PFOB,DIAG,PSTEP=    0.3326885865E-05    0.3348597188E-05     602.0472892       -0.5561800346E-08
J1,K1,R1,R2,RAT=  11  11    0.2289246800E-01     1.977136755        0.9771075320    
FOB,PFOB,DIAG,PSTEP=   -0.2369245561E-05   -0.2424753339E-05     586.9401147        0.4131116359E-08
J1,K1,R1,R2,RAT= 109 109     2.027141488       -0.2723775894E-01    0.9727622411    
FOB,PFOB,DIAG,PSTEP=    0.7918712190E-04   -0.7708733459E-04     13.86795460        0.5558934077E-05
J1,K1,R1,R2,RAT= 110 110     244.3385676       -0.2381368786        0.7618631214    
FOB,PFOB,DIAG,PSTEP=   -0.1496694501E-01    0.1493779929E-01     12.23906017       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1170307132E-01     2.011539038        0.9882969287    
FOB,PFOB,DIAG,PSTEP=   -0.6929789191E-04   -0.6849621013E-04     10.07527816        0.6799001210E-05
J1,K1,R1,R2,RAT= 112 112   -0.7430410531         192.5874146        0.2569589469    
FOB,PFOB,DIAG,PSTEP=    0.2322802368E-01    0.2304947576E-01     8.522157035       -0.2819632116E-04
J1,K1,R1,R2,RAT= 113 113     183.0776742       -0.8169485381        0.1830514619    
FOB,PFOB,DIAG,PSTEP=    0.4669512457E-01   -0.4628024008E-01     5.981347332        0.8490504206E-04
J1,K1,R1,R2,RAT= 114 114    0.9550543811        -1261.611320        0.4494561888E-01
FOB,PFOB,DIAG,PSTEP=   -0.8692041766       -0.8678891768         3.442211809       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001      0.00003 
     0.00003     -0.00001      0.00002     -0.00003      0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004      0.00002     -0.00001 
    -0.00002     -0.00001      0.00001      0.00004      0.00001      0.00009 
    -0.00003      0.00002     -0.00008     -0.00001     -0.00005      0.00002 
     0.00001      0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00001     -0.00002     -0.00005     -0.00002      0.00002      0.00004 
    -0.00005     -0.00006      0.00003     -0.00005     -0.00000     -0.00001 
    -0.00003     -0.00006      0.00011      0.00007     -0.00000     -0.00011 
     0.00005     -0.00016      0.00007     -0.00004     -0.00006      0.00003 
     0.00008     -0.01497     -0.00007      0.02323      0.04670     -0.86920 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3948508006
 Log product of positive Hessian eigenvalues =          519.2137879196
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4422118089
 Unscaled step for mode    7=        0.0000000122
 Unscaled step for mode    8=        0.0000000129
 Unscaled step for mode    9=        0.0000000081
 Unscaled step for mode   10=       -0.0000000055
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000193
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=       -0.0000000126
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000145
 Unscaled step for mode   17=       -0.0000000050
 Unscaled step for mode   18=       -0.0000000074
 Unscaled step for mode   19=        0.0000000485
 Unscaled step for mode   20=       -0.0000000054
 Unscaled step for mode   21=       -0.0000000066
 Unscaled step for mode   22=        0.0000000359
 Unscaled step for mode   23=       -0.0000000111
 Unscaled step for mode   24=        0.0000000237
 Unscaled step for mode   25=        0.0000000699
 Unscaled step for mode   26=        0.0000001068
 Unscaled step for mode   27=        0.0000000502
 Unscaled step for mode   28=       -0.0000000304
 Unscaled step for mode   29=       -0.0000001055
 Unscaled step for mode   30=        0.0000000790
 Unscaled step for mode   31=        0.0000000888
 Unscaled step for mode   32=        0.0000000512
 Unscaled step for mode   33=       -0.0000000548
 Unscaled step for mode   34=        0.0000000755
 Unscaled step for mode   35=       -0.0000001002
 Unscaled step for mode   36=       -0.0000001094
 Unscaled step for mode   37=       -0.0000000738
 Unscaled step for mode   38=       -0.0000000268
 Unscaled step for mode   39=        0.0000000891
 Unscaled step for mode   40=        0.0000001527
 Unscaled step for mode   41=        0.0000002157
 Unscaled step for mode   42=        0.0000001130
 Unscaled step for mode   43=        0.0000000883
 Unscaled step for mode   44=        0.0000002265
 Unscaled step for mode   45=       -0.0000000510
 Unscaled step for mode   46=       -0.0000001845
 Unscaled step for mode   47=        0.0000001284
 Unscaled step for mode   48=       -0.0000000240
 Unscaled step for mode   49=       -0.0000001708
 Unscaled step for mode   50=        0.0000000147
 Unscaled step for mode   51=        0.0000000966
 Unscaled step for mode   52=       -0.0000000493
 Unscaled step for mode   53=       -0.0000000856
 Unscaled step for mode   54=       -0.0000001540
 Unscaled step for mode   55=       -0.0000001564
 Unscaled step for mode   56=        0.0000000652
 Unscaled step for mode   57=       -0.0000001070
 Unscaled step for mode   58=        0.0000001883
 Unscaled step for mode   59=       -0.0000000635
 Unscaled step for mode   60=       -0.0000001695
 Unscaled step for mode   61=       -0.0000002456
 Unscaled step for mode   62=       -0.0000001642
 Unscaled step for mode   63=       -0.0000000688
 Unscaled step for mode   64=       -0.0000003423
 Unscaled step for mode   65=       -0.0000001556
 Unscaled step for mode   66=        0.0000000498
 Unscaled step for mode   67=        0.0000001858
 Unscaled step for mode   68=        0.0000000596
 Unscaled step for mode   69=       -0.0000000776
 Unscaled step for mode   70=       -0.0000003240
 Unscaled step for mode   71=       -0.0000000666
 Unscaled step for mode   72=       -0.0000008281
 Unscaled step for mode   73=        0.0000002501
 Unscaled step for mode   74=       -0.0000001842
 Unscaled step for mode   75=        0.0000008144
 Unscaled step for mode   76=        0.0000000882
 Unscaled step for mode   77=        0.0000005763
 Unscaled step for mode   78=       -0.0000001900
 Unscaled step for mode   79=       -0.0000000609
 Unscaled step for mode   80=       -0.0000002164
 Unscaled step for mode   81=       -0.0000004020
 Unscaled step for mode   82=       -0.0000002914
 Unscaled step for mode   83=        0.0000001454
 Unscaled step for mode   84=       -0.0000008011
 Unscaled step for mode   85=        0.0000001419
 Unscaled step for mode   86=        0.0000003180
 Unscaled step for mode   87=        0.0000007185
 Unscaled step for mode   88=        0.0000003851
 Unscaled step for mode   89=       -0.0000002773
 Unscaled step for mode   90=       -0.0000007437
 Unscaled step for mode   91=        0.0000009332
 Unscaled step for mode   92=        0.0000011052
 Unscaled step for mode   93=       -0.0000006280
 Unscaled step for mode   94=        0.0000010417
 Unscaled step for mode   95=        0.0000000014
 Unscaled step for mode   96=        0.0000003040
 Unscaled step for mode   97=        0.0000007051
 Unscaled step for mode   98=        0.0000013915
 Unscaled step for mode   99=       -0.0000027768
 Unscaled step for mode  100=       -0.0000019604
 Unscaled step for mode  101=        0.0000000539
 Unscaled step for mode  102=        0.0000039137
 Unscaled step for mode  103=       -0.0000019130
 Unscaled step for mode  104=        0.0000058853
 Unscaled step for mode  105=       -0.0000030243
 Unscaled step for mode  106=        0.0000019851
 Unscaled step for mode  107=        0.0000030489
 Unscaled step for mode  108=       -0.0000018359
 Unscaled step for mode  109=       -0.0000057101
 Unscaled step for mode  110=        0.0012228817
 Unscaled step for mode  111=        0.0000068780
 Unscaled step for mode  112=       -0.0027255836
 Unscaled step for mode  113=       -0.0078063146
 Unscaled step for mode  114=       -0.2381873815
 Largest modulus ratio of non-zero e/values=           215.8090850    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.463930E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.154434E-14    0.100674E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.857604E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.800141E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.205045E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.124526E-14    0.974139E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.906997E-05    0.742861E+03  0.122095E-07 0.100000E-04    0.994534E+00
   8   -0.869374E-05    0.674572E+03  0.128878E-07 0.100000E-04    0.985465E+00
   9   -0.510357E-05    0.629073E+03  0.811284E-08 0.100000E-04    0.942699E+00
  10    0.332689E-05    0.602047E+03 -0.552595E-08 0.100000E-04    0.993516E+00
  11   -0.236925E-05    0.586940E+03  0.403661E-08 0.100000E-04    0.977108E+00
  12   -0.111468E-04    0.577431E+03  0.193041E-07 0.100000E-04    0.964575E+00
  13   -0.336394E-05    0.566643E+03  0.593661E-08 0.100000E-04    0.987135E+00
  14    0.614534E-05    0.486718E+03 -0.126261E-07 0.100000E-04    0.970529E+00
  15    0.211855E-05    0.461724E+03 -0.458836E-08 0.100000E-04    0.944189E+00
  16    0.665479E-05    0.460365E+03 -0.144555E-07 0.100000E-04    0.982561E+00
  17    0.222414E-05    0.441787E+03 -0.503442E-08 0.100000E-04    0.895467E+00
  18    0.315996E-05    0.428830E+03 -0.736878E-08 0.100000E-04    0.945888E+00
  19   -0.204819E-04    0.422093E+03  0.485246E-07 0.100000E-04    0.997050E+00
  20    0.220255E-05    0.408548E+03 -0.539117E-08 0.100000E-04    0.916353E+00
  21    0.263419E-05    0.396679E+03 -0.664060E-08 0.100000E-04    0.927878E+00
  22   -0.139183E-04    0.388178E+03  0.358555E-07 0.100000E-04    0.988483E+00
  23    0.409638E-05    0.369393E+03 -0.110895E-07 0.100000E-04    0.921829E+00
  24   -0.854574E-05    0.360645E+03  0.236957E-07 0.100000E-04    0.977731E+00
  25   -0.244401E-04    0.349720E+03  0.698847E-07 0.100000E-04    0.995051E+00
  26   -0.357720E-04    0.334994E+03  0.106784E-06 0.100000E-04    0.996541E+00
  27   -0.164662E-04    0.328317E+03  0.501535E-07 0.100000E-04    0.988845E+00
  28    0.977679E-05    0.321834E+03 -0.303783E-07 0.100000E-04    0.983287E+00
  29    0.336643E-04    0.319173E+03 -0.105474E-06 0.100000E-04    0.999755E+00
  30   -0.245099E-04    0.310167E+03  0.790215E-07 0.100000E-04    0.993197E+00
  31   -0.267782E-04    0.301602E+03  0.887865E-07 0.100000E-04    0.991783E+00
  32   -0.148492E-04    0.290086E+03  0.511888E-07 0.100000E-04    0.979352E+00
  33    0.152640E-04    0.278351E+03 -0.548372E-07 0.100000E-04    0.997504E+00
  34   -0.205356E-04    0.272078E+03  0.754770E-07 0.100000E-04    0.998025E+00
  35    0.268593E-04    0.268029E+03 -0.100210E-06 0.100000E-04    0.993790E+00
  36    0.289621E-04    0.264765E+03 -0.109388E-06 0.100000E-04    0.988434E+00
  37    0.193777E-04    0.262544E+03 -0.738076E-07 0.100000E-04    0.988133E+00
  38    0.679318E-05    0.253580E+03 -0.267891E-07 0.100000E-04    0.987534E+00
  39   -0.215297E-04    0.241594E+03  0.891155E-07 0.100000E-04    0.994765E+00
  40   -0.366721E-04    0.240110E+03  0.152730E-06 0.100000E-04    0.988963E+00
  41   -0.504145E-04    0.233757E+03  0.215671E-06 0.100000E-04    0.997345E+00
  42   -0.257151E-04    0.227590E+03  0.112989E-06 0.100000E-04    0.983943E+00
  43   -0.191822E-04    0.217322E+03  0.882665E-07 0.100000E-04    0.996521E+00
  44   -0.486341E-04    0.214751E+03  0.226468E-06 0.100000E-04    0.988481E+00
  45    0.108765E-04    0.213214E+03 -0.510119E-07 0.100000E-04    0.978506E+00
  46    0.382576E-04    0.207327E+03 -0.184528E-06 0.100000E-04    0.994678E+00
  47   -0.261074E-04    0.203315E+03  0.128408E-06 0.100000E-04    0.996451E+00
  48    0.471158E-05    0.196142E+03 -0.240213E-07 0.100000E-04    0.940748E+00
  49    0.332610E-04    0.194772E+03 -0.170769E-06 0.100000E-04    0.996109E+00
  50   -0.280728E-05    0.191298E+03  0.146749E-07 0.100000E-04    0.842185E+00
  51   -0.176731E-04    0.182967E+03  0.965916E-07 0.100000E-04    0.992329E+00
  52    0.858775E-05    0.174055E+03 -0.493392E-07 0.100000E-04    0.987645E+00
  53    0.147571E-04    0.172328E+03 -0.856337E-07 0.100000E-04    0.992329E+00
  54    0.258588E-04    0.167937E+03 -0.153979E-06 0.100000E-04    0.997777E+00
  55    0.256079E-04    0.163744E+03 -0.156390E-06 0.100000E-04    0.995321E+00
  56   -0.102591E-04    0.157363E+03  0.651937E-07 0.100000E-04    0.958522E+00
  57    0.165514E-04    0.154637E+03 -0.107034E-06 0.100000E-04    0.986240E+00
  58   -0.286476E-04    0.152139E+03  0.188299E-06 0.100000E-04    0.997506E+00
  59    0.935726E-05    0.147260E+03 -0.635425E-07 0.100000E-04    0.978360E+00
  60    0.243191E-04    0.143516E+03 -0.169452E-06 0.100000E-04    0.990587E+00
  61    0.338186E-04    0.137707E+03 -0.245584E-06 0.100000E-04    0.984653E+00
  62    0.223201E-04    0.135912E+03 -0.164225E-06 0.100000E-04    0.996321E+00
  63    0.897069E-05    0.130464E+03 -0.687601E-07 0.100000E-04    0.930662E+00
  64    0.440374E-04    0.128653E+03 -0.342294E-06 0.100000E-04    0.999245E+00
  65    0.197179E-04    0.126687E+03 -0.155643E-06 0.100000E-04    0.968624E+00
  66   -0.621801E-05    0.124765E+03  0.498378E-07 0.100000E-04    0.966747E+00
  67   -0.222802E-04    0.119943E+03  0.185757E-06 0.100000E-04    0.975341E+00
  68   -0.704656E-05    0.118154E+03  0.596386E-07 0.100000E-04    0.971978E+00
  69    0.908774E-05    0.117091E+03 -0.776130E-07 0.100000E-04    0.985446E+00
  70    0.357577E-04    0.110379E+03 -0.323954E-06 0.100000E-04    0.992073E+00
  71    0.713414E-05    0.107075E+03 -0.666274E-07 0.100000E-04    0.983867E+00
  72    0.864648E-04    0.104419E+03 -0.828054E-06 0.100000E-04    0.999520E+00
  73   -0.257478E-04    0.102936E+03  0.250133E-06 0.100000E-04    0.986503E+00
  74    0.183505E-04    0.996390E+02 -0.184170E-06 0.100000E-04    0.984818E+00
  75   -0.781662E-04    0.959853E+02  0.814356E-06 0.100000E-04    0.993186E+00
  76   -0.830627E-05    0.941652E+02  0.882095E-07 0.100000E-04    0.932645E+00
  77   -0.534291E-04    0.927178E+02  0.576256E-06 0.100000E-04    0.995504E+00
  78    0.172892E-04    0.910134E+02 -0.189963E-06 0.100000E-04    0.982714E+00
  79    0.541527E-05    0.888481E+02 -0.609498E-07 0.100000E-04    0.998640E+00
  80    0.184814E-04    0.854062E+02 -0.216394E-06 0.100000E-04    0.995048E+00
  81    0.324984E-04    0.808429E+02 -0.401994E-06 0.100000E-04    0.992768E+00
  82    0.233548E-04    0.801585E+02 -0.291358E-06 0.100000E-04    0.984461E+00
  83   -0.113590E-04    0.781005E+02  0.145441E-06 0.100000E-04    0.974983E+00
  84    0.586795E-04    0.732498E+02 -0.801087E-06 0.100000E-04    0.990825E+00
  85   -0.103242E-04    0.727464E+02  0.141921E-06 0.100000E-04    0.917453E+00
  86   -0.216675E-04    0.681313E+02  0.318026E-06 0.100000E-04    0.985039E+00
  87   -0.468070E-04    0.651467E+02  0.718487E-06 0.100000E-04    0.992331E+00
  88   -0.238709E-04    0.619930E+02  0.385058E-06 0.100000E-04    0.973594E+00
  89    0.166313E-04    0.599697E+02 -0.277329E-06 0.100000E-04    0.946670E+00
  90    0.441628E-04    0.593865E+02 -0.743651E-06 0.100000E-04    0.998953E+00
  91   -0.546008E-04    0.585097E+02  0.933193E-06 0.100000E-04    0.983758E+00
  92   -0.618906E-04    0.559998E+02  0.110519E-05 0.100000E-04    0.995834E+00
  93    0.329944E-04    0.525361E+02 -0.628033E-06 0.100000E-04    0.973174E+00
  94   -0.544238E-04    0.522439E+02  0.104173E-05 0.100000E-04    0.996830E+00
  95   -0.704581E-07    0.500304E+02  0.140831E-08 0.118810E-04    0.984390E-01
  96   -0.141796E-04    0.466431E+02  0.304003E-06 0.100000E-04    0.989389E+00
  97   -0.303644E-04    0.430621E+02  0.705132E-06 0.100000E-04    0.951796E+00
  98   -0.567471E-04    0.407823E+02  0.139146E-05 0.100000E-04    0.988071E+00
  99    0.105204E-03    0.378868E+02 -0.277681E-05 0.100000E-04    0.986358E+00
 100    0.714442E-04    0.364442E+02 -0.196037E-05 0.100000E-04    0.986380E+00
 101   -0.177132E-05    0.328507E+02  0.539202E-07 0.100000E-04    0.430343E+00
 102   -0.112688E-03    0.287936E+02  0.391365E-05 0.100000E-04    0.995481E+00
 103    0.544722E-04    0.284749E+02 -0.191299E-05 0.100000E-04    0.988420E+00
 104   -0.155584E-03    0.264361E+02  0.588529E-05 0.100000E-04    0.992629E+00
 105    0.703495E-04    0.232613E+02 -0.302431E-05 0.100000E-04    0.979525E+00
 106   -0.420478E-04    0.211815E+02  0.198512E-05 0.100000E-04    0.933241E+00
 107   -0.614783E-04    0.201638E+02  0.304895E-05 0.100000E-04    0.941367E+00
 108    0.305235E-04    0.166260E+02 -0.183589E-05 0.100000E-04    0.805305E+00
 109    0.791871E-04    0.138680E+02 -0.571008E-05 0.100000E-04    0.972762E+00
 110   -0.149669E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.761863E+00
 111   -0.692979E-04    0.100753E+02  0.687801E-05 0.100000E-04    0.988297E+00
 112    0.232280E-01    0.852216E+01 -0.254021E-04 0.254021E-04    0.256959E+00
 113    0.466951E-01    0.598135E+01 -0.925465E-04 0.925465E-04    0.183051E+00
 114   -0.869204E+00    0.344221E+01 -0.400000E-03 0.400000E-03    0.449456E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2381873815    

 Beginning of optimization cycle  473.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3128242028
 potential> RMS force:                                               0.0816919737   |gradient|=.8722315953    
 Eigenvalues of the Hessian matrix:
   742.93568    674.57457    629.09605    602.02405    586.93118    577.47048 
   566.62763    486.74301    461.70032    460.35622    441.78967    428.82924 
   422.09216    408.54509    396.67381    388.16775    369.40725    360.63906 
   349.71135    334.99588    328.33741    321.83846    319.16075    310.15518 
   301.58187    290.09780    278.35360    272.09185    268.03773    264.76618 
   262.57227    253.57257    241.58905    240.12386    233.75424    227.58293 
   217.30584    214.75588    213.21902    207.33127    203.31040    196.12852 
   194.76936    191.29761    182.96037    174.05481    172.32789    167.94199 
   163.73311    157.35119    154.64170    152.14380    147.24841    143.51622 
   137.71266    135.91095    130.46181    128.65700    126.69160    124.75569 
   119.94380    118.15455    117.08879    110.37624    107.07093    104.41794 
   102.93387     99.63761     95.98979     94.16775     92.69956     91.01676 
    88.84034     85.40933     80.84209     80.16243     78.09834     73.25378 
    72.74740     68.12907     65.13940     61.97895     59.96907     59.38678 
    58.50113     55.99830     52.53528     52.24162     50.03151     46.63451 
    43.06605     40.78527     37.88832     36.44388     32.83763     28.79415 
    28.47388     26.42993     23.26301     21.18548     20.15547     16.62321 
    13.86862     12.23905     10.07611      8.52457      5.97330      3.43634 
overlap for current and previous eigenvector    109 is         0.9999997374
overlap for current and previous eigenvector    110 is         0.9999997764
overlap for current and previous eigenvector    111 is         0.9999996692
overlap for current and previous eigenvector    112 is         0.9999996705
overlap for current and previous eigenvector    113 is         0.9999989026
overlap for current and previous eigenvector    114 is         0.9999991231
J1,K1,R1,R2,RAT=   7   7   -0.2262727281E-02     2.002060555        0.9977372727    
FOB,PFOB,DIAG,PSTEP=   -0.9090497607E-05   -0.9069972658E-05     742.9356813        0.1220952207E-07
J1,K1,R1,R2,RAT=   8   8   -0.1592199592E-01     2.015915223        0.9840780041    
FOB,PFOB,DIAG,PSTEP=   -0.8832164168E-05   -0.8693741975E-05     674.5745724        0.1288778405E-07
J1,K1,R1,R2,RAT=   9   9   -0.3488944501E-01     2.034816606        0.9651105550    
FOB,PFOB,DIAG,PSTEP=   -0.5281634912E-05   -0.5103567780E-05     629.0960515        0.8112836893E-08
J1,K1,R1,R2,RAT=  10  10    0.3098118795E-01     1.969096020        0.9690188121    
FOB,PFOB,DIAG,PSTEP=    0.3223818967E-05    0.3326885865E-05     602.0240487       -0.5525954397E-08
J1,K1,R1,R2,RAT=  11  11    0.1010350395E-02     1.999020082        0.9989896496    
FOB,PFOB,DIAG,PSTEP=   -0.2366851830E-05   -0.2369245561E-05     586.9311837        0.4036605272E-08
J1,K1,R1,R2,RAT= 109 109    0.5799559627E-04     1.999846591        0.9998465906    
FOB,PFOB,DIAG,PSTEP=    0.7918252918E-04    0.7918712190E-04     13.86861623       -0.5710079402E-05
J1,K1,R1,R2,RAT= 110 110   -0.1886916482         244.7655162        0.8113083518    
FOB,PFOB,DIAG,PSTEP=   -0.1499003908E-01   -0.1496694501E-01     12.23905416        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.7766493059E-02     2.007601518        0.9922335069    
FOB,PFOB,DIAG,PSTEP=   -0.6983613791E-04   -0.6929789191E-04     10.07610931        0.6878012776E-05
J1,K1,R1,R2,RAT= 112 112   -0.9757751190         215.5118648        0.2422488098E-01
FOB,PFOB,DIAG,PSTEP=    0.2343931985E-01    0.2322802368E-01     8.524568901       -0.2540209114E-04
J1,K1,R1,R2,RAT= 113 113   -0.7809058564         169.7189353        0.2190941436    
FOB,PFOB,DIAG,PSTEP=    0.4712681537E-01    0.4669512457E-01     5.973297296       -0.9254649584E-04
J1,K1,R1,R2,RAT= 114 114    0.9521434494        -1265.676611        0.4785655064E-01
FOB,PFOB,DIAG,PSTEP=   -0.8705129313       -0.8692041766         3.436338106       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00002      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001      0.00003 
     0.00003     -0.00001      0.00002     -0.00003      0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001      0.00004      0.00001      0.00009 
    -0.00003      0.00002     -0.00008     -0.00001     -0.00005      0.00002 
     0.00001      0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00001     -0.00002     -0.00005      0.00002     -0.00002     -0.00004 
     0.00005      0.00006     -0.00003      0.00005     -0.00000     -0.00001 
    -0.00003     -0.00006      0.00010      0.00007      0.00000     -0.00011 
     0.00005     -0.00015      0.00007     -0.00004     -0.00007      0.00004 
     0.00008     -0.01499     -0.00007      0.02344      0.04713     -0.87051 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3945785353
 Log product of positive Hessian eigenvalues =          519.2093693595
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4363381061
 Unscaled step for mode    7=        0.0000000122
 Unscaled step for mode    8=        0.0000000131
 Unscaled step for mode    9=        0.0000000084
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000198
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000130
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000142
 Unscaled step for mode   17=       -0.0000000046
 Unscaled step for mode   18=       -0.0000000072
 Unscaled step for mode   19=        0.0000000483
 Unscaled step for mode   20=       -0.0000000051
 Unscaled step for mode   21=       -0.0000000063
 Unscaled step for mode   22=        0.0000000360
 Unscaled step for mode   23=       -0.0000000117
 Unscaled step for mode   24=        0.0000000239
 Unscaled step for mode   25=        0.0000000699
 Unscaled step for mode   26=        0.0000001062
 Unscaled step for mode   27=        0.0000000499
 Unscaled step for mode   28=       -0.0000000299
 Unscaled step for mode   29=       -0.0000001049
 Unscaled step for mode   30=        0.0000000801
 Unscaled step for mode   31=        0.0000000899
 Unscaled step for mode   32=        0.0000000519
 Unscaled step for mode   33=       -0.0000000541
 Unscaled step for mode   34=        0.0000000751
 Unscaled step for mode   35=       -0.0000001010
 Unscaled step for mode   36=       -0.0000001105
 Unscaled step for mode   37=       -0.0000000732
 Unscaled step for mode   38=       -0.0000000269
 Unscaled step for mode   39=        0.0000000887
 Unscaled step for mode   40=        0.0000001536
 Unscaled step for mode   41=        0.0000002160
 Unscaled step for mode   42=        0.0000001147
 Unscaled step for mode   43=        0.0000000885
 Unscaled step for mode   44=        0.0000002286
 Unscaled step for mode   45=       -0.0000000516
 Unscaled step for mode   46=       -0.0000001852
 Unscaled step for mode   47=        0.0000001288
 Unscaled step for mode   48=       -0.0000000224
 Unscaled step for mode   49=       -0.0000001721
 Unscaled step for mode   50=        0.0000000106
 Unscaled step for mode   51=        0.0000000965
 Unscaled step for mode   52=       -0.0000000490
 Unscaled step for mode   53=       -0.0000000852
 Unscaled step for mode   54=       -0.0000001549
 Unscaled step for mode   55=       -0.0000001571
 Unscaled step for mode   56=        0.0000000655
 Unscaled step for mode   57=       -0.0000001067
 Unscaled step for mode   58=        0.0000001890
 Unscaled step for mode   59=       -0.0000000634
 Unscaled step for mode   60=       -0.0000001693
 Unscaled step for mode   61=       -0.0000002413
 Unscaled step for mode   62=       -0.0000001643
 Unscaled step for mode   63=       -0.0000000621
 Unscaled step for mode   64=       -0.0000003413
 Unscaled step for mode   65=        0.0000001514
 Unscaled step for mode   66=       -0.0000000470
 Unscaled step for mode   67=        0.0000001897
 Unscaled step for mode   68=        0.0000000589
 Unscaled step for mode   69=       -0.0000000767
 Unscaled step for mode   70=       -0.0000003285
 Unscaled step for mode   71=       -0.0000000669
 Unscaled step for mode   72=       -0.0000008254
 Unscaled step for mode   73=        0.0000002480
 Unscaled step for mode   74=       -0.0000001813
 Unscaled step for mode   75=        0.0000008104
 Unscaled step for mode   76=        0.0000000812
 Unscaled step for mode   77=        0.0000005784
 Unscaled step for mode   78=       -0.0000001936
 Unscaled step for mode   79=       -0.0000000601
 Unscaled step for mode   80=       -0.0000002178
 Unscaled step for mode   81=       -0.0000004046
 Unscaled step for mode   82=       -0.0000002972
 Unscaled step for mode   83=        0.0000001495
 Unscaled step for mode   84=       -0.0000007905
 Unscaled step for mode   85=        0.0000001277
 Unscaled step for mode   86=        0.0000003150
 Unscaled step for mode   87=        0.0000007116
 Unscaled step for mode   88=       -0.0000003849
 Unscaled step for mode   89=        0.0000002919
 Unscaled step for mode   90=        0.0000007439
 Unscaled step for mode   91=       -0.0000009172
 Unscaled step for mode   92=       -0.0000011203
 Unscaled step for mode   93=        0.0000006438
 Unscaled step for mode   94=       -0.0000010349
 Unscaled step for mode   95=        0.0000000211
 Unscaled step for mode   96=        0.0000002987
 Unscaled step for mode   97=        0.0000006672
 Unscaled step for mode   98=        0.0000013816
 Unscaled step for mode   99=       -0.0000027376
 Unscaled step for mode  100=       -0.0000019554
 Unscaled step for mode  101=       -0.0000000435
 Unscaled step for mode  102=        0.0000038881
 Unscaled step for mode  103=       -0.0000019236
 Unscaled step for mode  104=        0.0000058300
 Unscaled step for mode  105=       -0.0000029889
 Unscaled step for mode  106=        0.0000019431
 Unscaled step for mode  107=        0.0000034408
 Unscaled step for mode  108=       -0.0000021893
 Unscaled step for mode  109=       -0.0000057095
 Unscaled step for mode  110=        0.0012247692
 Unscaled step for mode  111=        0.0000069309
 Unscaled step for mode  112=       -0.0027495986
 Unscaled step for mode  113=       -0.0078890904
 Unscaled step for mode  114=       -0.2388711312
 Largest modulus ratio of non-zero e/values=           216.1998204    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.103151E-14    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.153989E-14    0.100674E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.725304E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.338271E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.283410E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.102959E-15    0.974141E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.909050E-05    0.742936E+03  0.122359E-07 0.100000E-04    0.997737E+00
   8   -0.883216E-05    0.674575E+03  0.130929E-07 0.100000E-04    0.984078E+00
   9   -0.528163E-05    0.629096E+03  0.839559E-08 0.100000E-04    0.965111E+00
  10    0.322382E-05    0.602024E+03 -0.535497E-08 0.100000E-04    0.969019E+00
  11   -0.236685E-05    0.586931E+03  0.403259E-08 0.100000E-04    0.998990E+00
  12   -0.114213E-04    0.577470E+03  0.197782E-07 0.100000E-04    0.975372E+00
  13   -0.342944E-05    0.566628E+03  0.605238E-08 0.100000E-04    0.980526E+00
  14    0.631291E-05    0.486743E+03 -0.129697E-07 0.100000E-04    0.972732E+00
  15    0.212675E-05    0.461700E+03 -0.460634E-08 0.100000E-04    0.996132E+00
  16    0.652477E-05    0.460356E+03 -0.141733E-07 0.100000E-04    0.980462E+00
  17    0.201812E-05    0.441790E+03 -0.456805E-08 0.100000E-04    0.907357E+00
  18    0.309791E-05    0.428829E+03 -0.722411E-08 0.100000E-04    0.980365E+00
  19   -0.204073E-04    0.422092E+03  0.483480E-07 0.100000E-04    0.996358E+00
  20    0.209271E-05    0.408545E+03 -0.512235E-08 0.100000E-04    0.950131E+00
  21    0.249305E-05    0.396674E+03 -0.628490E-08 0.100000E-04    0.946423E+00
  22   -0.139673E-04    0.388168E+03  0.359825E-07 0.100000E-04    0.996483E+00
  23    0.433646E-05    0.369407E+03 -0.117390E-07 0.100000E-04    0.941394E+00
  24   -0.860889E-05    0.360639E+03  0.238712E-07 0.100000E-04    0.992610E+00
  25   -0.244363E-04    0.349711E+03  0.698755E-07 0.100000E-04    0.999845E+00
  26   -0.355897E-04    0.334996E+03  0.106239E-06 0.100000E-04    0.994891E+00
  27   -0.163793E-04    0.328337E+03  0.498855E-07 0.100000E-04    0.994593E+00
  28    0.962332E-05    0.321838E+03 -0.299011E-07 0.100000E-04    0.984279E+00
  29    0.334877E-04    0.319161E+03 -0.104924E-06 0.100000E-04    0.994754E+00
  30   -0.248312E-04    0.310155E+03  0.800605E-07 0.100000E-04    0.986891E+00
  31   -0.271011E-04    0.301582E+03  0.898633E-07 0.100000E-04    0.987938E+00
  32   -0.150418E-04    0.290098E+03  0.518507E-07 0.100000E-04    0.987030E+00
  33    0.150514E-04    0.278354E+03 -0.540728E-07 0.100000E-04    0.986052E+00
  34   -0.204351E-04    0.272092E+03  0.751036E-07 0.100000E-04    0.995002E+00
  35    0.270748E-04    0.268038E+03 -0.101011E-06 0.100000E-04    0.991975E+00
  36    0.292580E-04    0.264766E+03 -0.110505E-06 0.100000E-04    0.989781E+00
  37    0.192151E-04    0.262572E+03 -0.731801E-07 0.100000E-04    0.991391E+00
  38    0.682669E-05    0.253573E+03 -0.269220E-07 0.100000E-04    0.995067E+00
  39   -0.214319E-04    0.241589E+03  0.887124E-07 0.100000E-04    0.995457E+00
  40   -0.368892E-04    0.240124E+03  0.153626E-06 0.100000E-04    0.994080E+00
  41   -0.504863E-04    0.233754E+03  0.215980E-06 0.100000E-04    0.998577E+00
  42   -0.261050E-04    0.227583E+03  0.114705E-06 0.100000E-04    0.984836E+00
  43   -0.192267E-04    0.217306E+03  0.884774E-07 0.100000E-04    0.997683E+00
  44   -0.491015E-04    0.214756E+03  0.228639E-06 0.100000E-04    0.990390E+00
  45    0.109991E-04    0.213219E+03 -0.515859E-07 0.100000E-04    0.988727E+00
  46    0.384053E-04    0.207331E+03 -0.185236E-06 0.100000E-04    0.996141E+00
  47   -0.261922E-04    0.203310E+03  0.128829E-06 0.100000E-04    0.996753E+00
  48    0.439010E-05    0.196129E+03 -0.223838E-07 0.100000E-04    0.931763E+00
  49    0.335227E-04    0.194769E+03 -0.172115E-06 0.100000E-04    0.992132E+00
  50   -0.202357E-05    0.191298E+03  0.105781E-07 0.100000E-04    0.720827E+00
  51   -0.176548E-04    0.182960E+03  0.964951E-07 0.100000E-04    0.998963E+00
  52    0.853386E-05    0.174055E+03 -0.490297E-07 0.100000E-04    0.993725E+00
  53    0.146769E-04    0.172328E+03 -0.851687E-07 0.100000E-04    0.994567E+00
  54    0.260165E-04    0.167942E+03 -0.154913E-06 0.100000E-04    0.993902E+00
  55    0.257298E-04    0.163733E+03 -0.157145E-06 0.100000E-04    0.995236E+00
  56   -0.103045E-04    0.157351E+03  0.654873E-07 0.100000E-04    0.995573E+00
  57    0.164927E-04    0.154642E+03 -0.106651E-06 0.100000E-04    0.996396E+00
  58   -0.287537E-04    0.152144E+03  0.188990E-06 0.100000E-04    0.996298E+00
  59    0.934279E-05    0.147248E+03 -0.634492E-07 0.100000E-04    0.998453E+00
  60    0.242920E-04    0.143516E+03 -0.169263E-06 0.100000E-04    0.998884E+00
  61    0.332254E-04    0.137713E+03 -0.241266E-06 0.100000E-04    0.982372E+00
  62    0.223335E-04    0.135911E+03 -0.164324E-06 0.100000E-04    0.999400E+00
  63    0.809654E-05    0.130462E+03 -0.620606E-07 0.100000E-04    0.902553E+00
  64    0.439051E-04    0.128657E+03 -0.341257E-06 0.100000E-04    0.996942E+00
  65   -0.191761E-04    0.126692E+03  0.151360E-06 0.100000E-04    0.972447E+00
  66    0.586066E-05    0.124756E+03 -0.469771E-07 0.100000E-04    0.942526E+00
  67   -0.227494E-04    0.119944E+03  0.189668E-06 0.100000E-04    0.978938E+00
  68   -0.695712E-05    0.118155E+03  0.588815E-07 0.100000E-04    0.987302E+00
  69    0.898295E-05    0.117089E+03 -0.767191E-07 0.100000E-04    0.988468E+00
  70    0.362565E-04    0.110376E+03 -0.328481E-06 0.100000E-04    0.986049E+00
  71    0.716796E-05    0.107071E+03 -0.669459E-07 0.100000E-04    0.995258E+00
  72    0.861912E-04    0.104418E+03 -0.825444E-06 0.100000E-04    0.996835E+00
  73   -0.255318E-04    0.102934E+03  0.248041E-06 0.100000E-04    0.991609E+00
  74    0.180673E-04    0.996376E+02 -0.181330E-06 0.100000E-04    0.984569E+00
  75   -0.777902E-04    0.959898E+02  0.810401E-06 0.100000E-04    0.995097E+00
  76   -0.764277E-05    0.941678E+02  0.811613E-07 0.100000E-04    0.920070E+00
  77   -0.536148E-04    0.926996E+02  0.578372E-06 0.100000E-04    0.996524E+00
  78    0.176182E-04    0.910168E+02 -0.193570E-06 0.100000E-04    0.980974E+00
  79    0.534235E-05    0.888403E+02 -0.601343E-07 0.100000E-04    0.986533E+00
  80    0.186004E-04    0.854093E+02 -0.217780E-06 0.100000E-04    0.993560E+00
  81    0.327067E-04    0.808421E+02 -0.404576E-06 0.100000E-04    0.993589E+00
  82    0.238239E-04    0.801624E+02 -0.297196E-06 0.100000E-04    0.979913E+00
  83   -0.116759E-04    0.780983E+02  0.149502E-06 0.100000E-04    0.972106E+00
  84    0.579081E-04    0.732538E+02 -0.790514E-06 0.100000E-04    0.986748E+00
  85   -0.928639E-05    0.727474E+02  0.127653E-06 0.100000E-04    0.899448E+00
  86   -0.214638E-04    0.681291E+02  0.315046E-06 0.100000E-04    0.990598E+00
  87   -0.463543E-04    0.651394E+02  0.711616E-06 0.100000E-04    0.990326E+00
  88    0.238585E-04    0.619789E+02 -0.384944E-06 0.100000E-04    0.999477E+00
  89   -0.175060E-04    0.599691E+02  0.291917E-06 0.100000E-04    0.947406E+00
  90   -0.441803E-04    0.593868E+02  0.743942E-06 0.100000E-04    0.999604E+00
  91    0.536596E-04    0.585011E+02 -0.917241E-06 0.100000E-04    0.982759E+00
  92    0.627356E-04    0.559983E+02 -0.112031E-05 0.100000E-04    0.986346E+00
  93   -0.338208E-04    0.525353E+02  0.643773E-06 0.100000E-04    0.974954E+00
  94    0.540637E-04    0.522416E+02 -0.103488E-05 0.100000E-04    0.993383E+00
  95   -0.105385E-05    0.500315E+02  0.210637E-07 0.107036E-04    0.129568E+02
  96   -0.139291E-04    0.466345E+02  0.298686E-06 0.100000E-04    0.982328E+00
  97   -0.287324E-04    0.430661E+02  0.667171E-06 0.100000E-04    0.946072E+00
  98   -0.563500E-04    0.407853E+02  0.138163E-05 0.100000E-04    0.992855E+00
  99    0.103722E-03    0.378883E+02 -0.273758E-05 0.100000E-04    0.985833E+00
 100    0.712627E-04    0.364439E+02 -0.195541E-05 0.100000E-04    0.997459E+00
 101    0.142902E-05    0.328376E+02 -0.435177E-07 0.100000E-04    0.806678E+00
 102   -0.111956E-03    0.287942E+02  0.388814E-05 0.100000E-04    0.993463E+00
 103    0.547719E-04    0.284739E+02 -0.192358E-05 0.100000E-04    0.994499E+00
 104   -0.154086E-03    0.264299E+02  0.582998E-05 0.100000E-04    0.990369E+00
 105    0.695319E-04    0.232630E+02 -0.298895E-05 0.100000E-04    0.988237E+00
 106   -0.411658E-04    0.211855E+02  0.194311E-05 0.100000E-04    0.978654E+00
 107   -0.693508E-04    0.201555E+02  0.344079E-05 0.100000E-04    0.871894E+00
 108    0.363935E-04    0.166232E+02 -0.218932E-05 0.100000E-04    0.807656E+00
 109    0.791825E-04    0.138686E+02 -0.570948E-05 0.100000E-04    0.999847E+00
 110   -0.149900E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.811308E+00
 111   -0.698361E-04    0.100761E+02  0.693086E-05 0.100000E-04    0.992234E+00
 112    0.234393E-01    0.852457E+01 -0.276883E-04 0.276883E-04    0.242249E-01
 113    0.471268E-01    0.597330E+01 -0.833752E-04 0.833752E-04    0.219094E+00
 114   -0.870513E+00    0.343634E+01 -0.400000E-03 0.400000E-03    0.478566E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2388711312    

 Beginning of optimization cycle  474.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3124804285
 potential> RMS force:                                               0.0818170348   |gradient|=.8735668834    
 Eigenvalues of the Hessian matrix:
   743.01025    674.57772    629.11848    602.00050    586.92276    577.50929 
   566.61348    486.76859    461.67731    460.34738    441.79267    428.82740 
   422.09129    408.54286    396.66880    388.15800    369.42145    360.63322 
   349.70253    334.99799    328.35761    321.84269    319.14808    310.14306 
   301.56182    290.10944    278.35568    272.10541    268.04638    264.76731 
   262.59971    253.56505    241.58412    240.13722    233.75162    227.57551 
   217.29000    214.76087    213.22353    207.33583    203.30542    196.11559 
   194.76671    191.29673    182.95314    174.05433    172.32731    167.94652 
   163.72246    157.33910    154.64585    152.14868    147.23710    143.51646 
   137.71855    135.90997    130.46025    128.66037    126.69644    124.74670 
   119.94472    118.15488    117.08725    110.37359    107.06695    104.41662 
   102.93137     99.63629     95.99444     94.17028     92.68138     91.01998 
    88.83273     85.41234     80.84127     80.16616     78.09624     73.25794 
    72.74867     68.12713     65.13238     61.96495     59.96836     59.38717 
    58.49272     55.99702     52.53456     52.23953     50.03259     46.62612 
    43.06991     40.78832     37.88999     36.44396     32.82468     28.79471 
    28.47279     26.42375     23.26458     21.18961     20.14706     16.62048 
    13.86928     12.23906     10.07693      8.52670      5.96521      3.43047 
overlap for current and previous eigenvector    109 is         0.9999997566
overlap for current and previous eigenvector    110 is         0.9999997850
overlap for current and previous eigenvector    111 is         0.9999996963
overlap for current and previous eigenvector    112 is         0.9999997085
overlap for current and previous eigenvector    113 is         0.9999989995
overlap for current and previous eigenvector    114 is         0.9999992093
J1,K1,R1,R2,RAT=   7   7   -0.3937341153E-02     2.003736618        0.9960626588    
FOB,PFOB,DIAG,PSTEP=   -0.9126293590E-05   -0.9090497607E-05     743.0102510        0.1223591468E-07
J1,K1,R1,R2,RAT=   8   8    0.1253150911E-01     1.987459146        0.9874591459    
FOB,PFOB,DIAG,PSTEP=   -0.8721483305E-05   -0.8832164168E-05     674.5777244        0.1309293965E-07
J1,K1,R1,R2,RAT=   9   9    0.2747122071E-01     1.972457480        0.9724574798    
FOB,PFOB,DIAG,PSTEP=   -0.5136536781E-05   -0.5281634912E-05     629.1184794        0.8395593805E-08
J1,K1,R1,R2,RAT=  10  10   -0.4737856735E-01     2.047456798        0.9526214327    
FOB,PFOB,DIAG,PSTEP=    0.3376552917E-05    0.3223818967E-05     602.0005014       -0.5354967088E-08
J1,K1,R1,R2,RAT=  11  11   -0.3071964515E-01     2.030748345        0.9692803548    
FOB,PFOB,DIAG,PSTEP=   -0.2439559635E-05   -0.2366851830E-05     586.9227615        0.4032588309E-08
J1,K1,R1,R2,RAT= 109 109    0.1275505645E-01     1.987149364        0.9871493639    
FOB,PFOB,DIAG,PSTEP=    0.7817250328E-04    0.7918252918E-04     13.86927904       -0.5709475833E-05
J1,K1,R1,R2,RAT= 110 110   -0.2445094307         245.1985116        0.7554905693    
FOB,PFOB,DIAG,PSTEP=   -0.1501996475E-01   -0.1499003908E-01     12.23906443        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1333860650E-02     2.001171566        0.9986661393    
FOB,PFOB,DIAG,PSTEP=   -0.6992929714E-04   -0.6983613791E-04     10.07692703        0.6930863464E-05
J1,K1,R1,R2,RAT= 112 112   -0.7520460380         199.3149727        0.2479539620    
FOB,PFOB,DIAG,PSTEP=    0.2361687009E-01    0.2343931985E-01     8.526697738       -0.2768827934E-04
J1,K1,R1,R2,RAT= 113 113   -0.8573866716         190.3689195        0.1426133284    
FOB,PFOB,DIAG,PSTEP=    0.4755323695E-01    0.4712681537E-01     5.965205967       -0.8337522148E-04
J1,K1,R1,R2,RAT= 114 114    0.9542846632        -1269.748550        0.4571533676E-01
FOB,PFOB,DIAG,PSTEP=   -0.8718223905       -0.8705129313         3.430473147       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001      0.00003     -0.00002 
    -0.00003     -0.00001      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001      0.00003 
     0.00003     -0.00001      0.00002     -0.00003      0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001     -0.00004     -0.00001     -0.00009 
     0.00003     -0.00002     -0.00008     -0.00001      0.00005      0.00002 
     0.00001     -0.00002     -0.00003     -0.00002      0.00001     -0.00006 
     0.00001      0.00002     -0.00005      0.00002     -0.00002     -0.00004 
     0.00005      0.00006     -0.00003      0.00005     -0.00000     -0.00001 
    -0.00003     -0.00006      0.00011      0.00007     -0.00000     -0.00011 
     0.00005     -0.00016      0.00007     -0.00004     -0.00006      0.00003 
     0.00008     -0.01502     -0.00007      0.02362      0.04755     -0.87182 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3942935217
 Log product of positive Hessian eigenvalues =          519.2049443964
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4304731471
 Unscaled step for mode    7=        0.0000000123
 Unscaled step for mode    8=        0.0000000129
 Unscaled step for mode    9=        0.0000000082
 Unscaled step for mode   10=       -0.0000000056
 Unscaled step for mode   11=        0.0000000042
 Unscaled step for mode   12=        0.0000000193
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000128
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000144
 Unscaled step for mode   17=       -0.0000000050
 Unscaled step for mode   18=       -0.0000000074
 Unscaled step for mode   19=        0.0000000487
 Unscaled step for mode   20=       -0.0000000054
 Unscaled step for mode   21=       -0.0000000066
 Unscaled step for mode   22=        0.0000000360
 Unscaled step for mode   23=       -0.0000000110
 Unscaled step for mode   24=        0.0000000238
 Unscaled step for mode   25=        0.0000000702
 Unscaled step for mode   26=        0.0000001066
 Unscaled step for mode   27=        0.0000000501
 Unscaled step for mode   28=       -0.0000000302
 Unscaled step for mode   29=       -0.0000001059
 Unscaled step for mode   30=        0.0000000790
 Unscaled step for mode   31=        0.0000000891
 Unscaled step for mode   32=        0.0000000516
 Unscaled step for mode   33=       -0.0000000548
 Unscaled step for mode   34=        0.0000000758
 Unscaled step for mode   35=       -0.0000001001
 Unscaled step for mode   36=       -0.0000001102
 Unscaled step for mode   37=       -0.0000000734
 Unscaled step for mode   38=       -0.0000000270
 Unscaled step for mode   39=        0.0000000892
 Unscaled step for mode   40=        0.0000001539
 Unscaled step for mode   41=        0.0000002155
 Unscaled step for mode   42=        0.0000001136
 Unscaled step for mode   43=        0.0000000869
 Unscaled step for mode   44=        0.0000002275
 Unscaled step for mode   45=       -0.0000000531
 Unscaled step for mode   46=       -0.0000001849
 Unscaled step for mode   47=        0.0000001276
 Unscaled step for mode   48=       -0.0000000238
 Unscaled step for mode   49=       -0.0000001708
 Unscaled step for mode   50=        0.0000000146
 Unscaled step for mode   51=        0.0000000964
 Unscaled step for mode   52=       -0.0000000497
 Unscaled step for mode   53=       -0.0000000859
 Unscaled step for mode   54=       -0.0000001548
 Unscaled step for mode   55=       -0.0000001572
 Unscaled step for mode   56=        0.0000000652
 Unscaled step for mode   57=       -0.0000001083
 Unscaled step for mode   58=        0.0000001888
 Unscaled step for mode   59=       -0.0000000639
 Unscaled step for mode   60=       -0.0000001699
 Unscaled step for mode   61=       -0.0000002464
 Unscaled step for mode   62=       -0.0000001632
 Unscaled step for mode   63=       -0.0000000662
 Unscaled step for mode   64=       -0.0000003434
 Unscaled step for mode   65=        0.0000001558
 Unscaled step for mode   66=       -0.0000000480
 Unscaled step for mode   67=        0.0000001874
 Unscaled step for mode   68=        0.0000000595
 Unscaled step for mode   69=       -0.0000000791
 Unscaled step for mode   70=        0.0000003242
 Unscaled step for mode   71=        0.0000000653
 Unscaled step for mode   72=        0.0000008307
 Unscaled step for mode   73=       -0.0000002486
 Unscaled step for mode   74=        0.0000001831
 Unscaled step for mode   75=        0.0000008117
 Unscaled step for mode   76=        0.0000000800
 Unscaled step for mode   77=       -0.0000005843
 Unscaled step for mode   78=       -0.0000001932
 Unscaled step for mode   79=       -0.0000000603
 Unscaled step for mode   80=        0.0000002151
 Unscaled step for mode   81=        0.0000004042
 Unscaled step for mode   82=        0.0000002928
 Unscaled step for mode   83=       -0.0000001448
 Unscaled step for mode   84=        0.0000008036
 Unscaled step for mode   85=       -0.0000001360
 Unscaled step for mode   86=       -0.0000003217
 Unscaled step for mode   87=        0.0000007218
 Unscaled step for mode   88=       -0.0000003872
 Unscaled step for mode   89=        0.0000002832
 Unscaled step for mode   90=        0.0000007397
 Unscaled step for mode   91=       -0.0000009373
 Unscaled step for mode   92=       -0.0000011056
 Unscaled step for mode   93=        0.0000006474
 Unscaled step for mode   94=       -0.0000010405
 Unscaled step for mode   95=        0.0000000046
 Unscaled step for mode   96=        0.0000003133
 Unscaled step for mode   97=        0.0000007080
 Unscaled step for mode   98=        0.0000014029
 Unscaled step for mode   99=       -0.0000027738
 Unscaled step for mode  100=       -0.0000019594
 Unscaled step for mode  101=        0.0000000209
 Unscaled step for mode  102=        0.0000039267
 Unscaled step for mode  103=       -0.0000019103
 Unscaled step for mode  104=        0.0000058855
 Unscaled step for mode  105=       -0.0000030382
 Unscaled step for mode  106=        0.0000019958
 Unscaled step for mode  107=        0.0000031166
 Unscaled step for mode  108=       -0.0000018895
 Unscaled step for mode  109=       -0.0000056364
 Unscaled step for mode  110=        0.0012272133
 Unscaled step for mode  111=        0.0000069395
 Unscaled step for mode  112=       -0.0027697345
 Unscaled step for mode  113=       -0.0079712613
 Unscaled step for mode  114=       -0.2395561628
 Largest modulus ratio of non-zero e/values=           216.5911870    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.168485E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.214564E-14    0.100674E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.267554E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.409828E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.317197E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.134808E-14    0.974143E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.912629E-05    0.743010E+03  0.122829E-07 0.100000E-04    0.996063E+00
   8   -0.872148E-05    0.674578E+03  0.129288E-07 0.100000E-04    0.987459E+00
   9   -0.513654E-05    0.629118E+03  0.816466E-08 0.100000E-04    0.972457E+00
  10    0.337655E-05    0.602001E+03 -0.560889E-08 0.100000E-04    0.952621E+00
  11   -0.243956E-05    0.586923E+03  0.415653E-08 0.100000E-04    0.969280E+00
  12   -0.111716E-04    0.577509E+03  0.193444E-07 0.100000E-04    0.978001E+00
  13   -0.337767E-05    0.566613E+03  0.596116E-08 0.100000E-04    0.984904E+00
  14    0.621542E-05    0.486769E+03 -0.127687E-07 0.100000E-04    0.984451E+00
  15    0.219384E-05    0.461677E+03 -0.475188E-08 0.100000E-04    0.968453E+00
  16    0.663762E-05    0.460347E+03 -0.144187E-07 0.100000E-04    0.982705E+00
  17    0.222817E-05    0.441793E+03 -0.504347E-08 0.100000E-04    0.895918E+00
  18    0.318727E-05    0.428827E+03 -0.743252E-08 0.100000E-04    0.971155E+00
  19   -0.205506E-04    0.422091E+03  0.486875E-07 0.100000E-04    0.992979E+00
  20    0.218829E-05    0.408543E+03 -0.535632E-08 0.100000E-04    0.954328E+00
  21    0.260027E-05    0.396669E+03 -0.655527E-08 0.100000E-04    0.956994E+00
  22   -0.139657E-04    0.388158E+03  0.359795E-07 0.100000E-04    0.999892E+00
  23    0.405531E-05    0.369421E+03 -0.109775E-07 0.100000E-04    0.935091E+00
  24   -0.857717E-05    0.360633E+03  0.237836E-07 0.100000E-04    0.996316E+00
  25   -0.245424E-04    0.349703E+03  0.701807E-07 0.100000E-04    0.995658E+00
  26   -0.357161E-04    0.334998E+03  0.106616E-06 0.100000E-04    0.996449E+00
  27   -0.164451E-04    0.328358E+03  0.500830E-07 0.100000E-04    0.995979E+00
  28    0.972313E-05    0.321843E+03 -0.302108E-07 0.100000E-04    0.989629E+00
  29    0.338064E-04    0.319148E+03 -0.105927E-06 0.100000E-04    0.990485E+00
  30   -0.245122E-04    0.310143E+03  0.790351E-07 0.100000E-04    0.987154E+00
  31   -0.268796E-04    0.301562E+03  0.891347E-07 0.100000E-04    0.991825E+00
  32   -0.149779E-04    0.290109E+03  0.516285E-07 0.100000E-04    0.995676E+00
  33    0.152444E-04    0.278356E+03 -0.547657E-07 0.100000E-04    0.987177E+00
  34   -0.206356E-04    0.272105E+03  0.758369E-07 0.100000E-04    0.990187E+00
  35    0.268406E-04    0.268046E+03 -0.100134E-06 0.100000E-04    0.991285E+00
  36    0.291721E-04    0.264767E+03 -0.110180E-06 0.100000E-04    0.997056E+00
  37    0.192647E-04    0.262600E+03 -0.733616E-07 0.100000E-04    0.997416E+00
  38    0.683498E-05    0.253565E+03 -0.269555E-07 0.100000E-04    0.998785E+00
  39   -0.215411E-04    0.241584E+03  0.891662E-07 0.100000E-04    0.994904E+00
  40   -0.369589E-04    0.240137E+03  0.153907E-06 0.100000E-04    0.998111E+00
  41   -0.503840E-04    0.233752E+03  0.215545E-06 0.100000E-04    0.997975E+00
  42   -0.258571E-04    0.227576E+03  0.113620E-06 0.100000E-04    0.990505E+00
  43   -0.188905E-04    0.217290E+03  0.869367E-07 0.100000E-04    0.982513E+00
  44   -0.488535E-04    0.214761E+03  0.227479E-06 0.100000E-04    0.994903E+00
  45    0.113277E-04    0.213224E+03 -0.531261E-07 0.100000E-04    0.970123E+00
  46    0.383379E-04    0.207336E+03 -0.184907E-06 0.100000E-04    0.998201E+00
  47   -0.259509E-04    0.203305E+03  0.127645E-06 0.100000E-04    0.990787E+00
  48    0.466101E-05    0.196116E+03 -0.237666E-07 0.100000E-04    0.938286E+00
  49    0.332733E-04    0.194767E+03 -0.170837E-06 0.100000E-04    0.992560E+00
  50   -0.279550E-05    0.191297E+03  0.146134E-07 0.100000E-04    0.618526E+00
  51   -0.176323E-04    0.182953E+03  0.963760E-07 0.100000E-04    0.998725E+00
  52    0.865707E-05    0.174054E+03 -0.497377E-07 0.100000E-04    0.985563E+00
  53    0.148060E-04    0.172327E+03 -0.859180E-07 0.100000E-04    0.991206E+00
  54    0.259923E-04    0.167947E+03 -0.154765E-06 0.100000E-04    0.999017E+00
  55    0.257330E-04    0.163722E+03 -0.157174E-06 0.100000E-04    0.999878E+00
  56   -0.102528E-04    0.157339E+03  0.651640E-07 0.100000E-04    0.994986E+00
  57    0.167417E-04    0.154646E+03 -0.108258E-06 0.100000E-04    0.984903E+00
  58   -0.287286E-04    0.152149E+03  0.188819E-06 0.100000E-04    0.999065E+00
  59    0.940774E-05    0.147237E+03 -0.638952E-07 0.100000E-04    0.993048E+00
  60    0.243823E-04    0.143516E+03 -0.169892E-06 0.100000E-04    0.996283E+00
  61    0.339299E-04    0.137719E+03 -0.246371E-06 0.100000E-04    0.978796E+00
  62    0.221839E-04    0.135910E+03 -0.163225E-06 0.100000E-04    0.993302E+00
  63    0.864216E-05    0.130460E+03 -0.662436E-07 0.100000E-04    0.932611E+00
  64    0.441788E-04    0.128660E+03 -0.343375E-06 0.100000E-04    0.993767E+00
  65   -0.197387E-04    0.126696E+03  0.155795E-06 0.100000E-04    0.970664E+00
  66    0.598717E-05    0.124747E+03 -0.479946E-07 0.100000E-04    0.978412E+00
  67   -0.224776E-04    0.119945E+03  0.187400E-06 0.100000E-04    0.988036E+00
  68   -0.702905E-05    0.118155E+03  0.594901E-07 0.100000E-04    0.989660E+00
  69    0.925996E-05    0.117087E+03 -0.790859E-07 0.100000E-04    0.969162E+00
  70   -0.357819E-04    0.110374E+03  0.324189E-06 0.100000E-04    0.986910E+00
  71   -0.698844E-05    0.107067E+03  0.652717E-07 0.100000E-04    0.974954E+00
  72   -0.867345E-04    0.104417E+03  0.830658E-06 0.100000E-04    0.993696E+00
  73    0.255932E-04    0.102931E+03 -0.248644E-06 0.100000E-04    0.997593E+00
  74   -0.182477E-04    0.996363E+02  0.183143E-06 0.100000E-04    0.990016E+00
  75   -0.779175E-04    0.959944E+02  0.811687E-06 0.100000E-04    0.998364E+00
  76   -0.753006E-05    0.941703E+02  0.799622E-07 0.100000E-04    0.985199E+00
  77    0.541496E-04    0.926814E+02 -0.584255E-06 0.100000E-04    0.990024E+00
  78    0.175811E-04    0.910200E+02 -0.193157E-06 0.100000E-04    0.997827E+00
  79    0.535840E-05    0.888327E+02 -0.603201E-07 0.100000E-04    0.996995E+00
  80   -0.183757E-04    0.854123E+02  0.215141E-06 0.100000E-04    0.987849E+00
  81   -0.326744E-04    0.808413E+02  0.404179E-06 0.100000E-04    0.999009E+00
  82   -0.234696E-04    0.801662E+02  0.292762E-06 0.100000E-04    0.985035E+00
  83    0.113085E-04    0.780962E+02 -0.144803E-06 0.100000E-04    0.968536E+00
  84   -0.588692E-04    0.732579E+02  0.803588E-06 0.100000E-04    0.983405E+00
  85    0.989348E-05    0.727487E+02 -0.135995E-06 0.100000E-04    0.934628E+00
  86    0.219177E-04    0.681271E+02 -0.321718E-06 0.100000E-04    0.978852E+00
  87   -0.470143E-04    0.651324E+02  0.721826E-06 0.100000E-04    0.985760E+00
  88    0.239923E-04    0.619650E+02 -0.387192E-06 0.100000E-04    0.994388E+00
  89   -0.169839E-04    0.599684E+02  0.283215E-06 0.100000E-04    0.970176E+00
  90   -0.439284E-04    0.593872E+02  0.739695E-06 0.100000E-04    0.994284E+00
  91    0.548228E-04    0.584927E+02 -0.937259E-06 0.100000E-04    0.978319E+00
  92    0.619087E-04    0.559970E+02 -0.110557E-05 0.100000E-04    0.986819E+00
  93   -0.340135E-04    0.525346E+02  0.647449E-06 0.100000E-04    0.994303E+00
  94    0.543528E-04    0.522395E+02 -0.104045E-05 0.100000E-04    0.994653E+00
  95   -0.227712E-06    0.500326E+02  0.455127E-08 0.100000E-04    0.216050E+00
  96   -0.146064E-04    0.466261E+02  0.313266E-06 0.100000E-04    0.951368E+00
  97   -0.304930E-04    0.430699E+02  0.707988E-06 0.100000E-04    0.938731E+00
  98   -0.572217E-04    0.407883E+02  0.140290E-05 0.100000E-04    0.984530E+00
  99    0.105099E-03    0.378900E+02 -0.277379E-05 0.100000E-04    0.986730E+00
 100    0.714096E-04    0.364440E+02 -0.195944E-05 0.100000E-04    0.997938E+00
 101   -0.684686E-06    0.328247E+02  0.208589E-07 0.100000E-04    0.478925E+00
 102   -0.113067E-03    0.287947E+02  0.392666E-05 0.100000E-04    0.990075E+00
 103    0.543913E-04    0.284728E+02 -0.191029E-05 0.100000E-04    0.993051E+00
 104   -0.155517E-03    0.264238E+02  0.588549E-05 0.100000E-04    0.990714E+00
 105    0.706829E-04    0.232646E+02 -0.303822E-05 0.100000E-04    0.983448E+00
 106   -0.422904E-04    0.211896E+02  0.199581E-05 0.100000E-04    0.972687E+00
 107   -0.627902E-04    0.201471E+02  0.311659E-05 0.100000E-04    0.905359E+00
 108    0.314046E-04    0.166205E+02 -0.188951E-05 0.100000E-04    0.862895E+00
 109    0.781725E-04    0.138693E+02 -0.563638E-05 0.100000E-04    0.987149E+00
 110   -0.150200E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.755491E+00
 111   -0.699293E-04    0.100769E+02  0.693955E-05 0.100000E-04    0.998666E+00
 112    0.236169E-01    0.852670E+01 -0.249444E-04 0.249444E-04    0.247954E+00
 113    0.475532E-01    0.596521E+01 -0.908790E-04 0.908790E-04    0.142613E+00
 114   -0.871822E+00    0.343047E+01 -0.400000E-03 0.400000E-03    0.457153E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2395561628    

 Beginning of optimization cycle  475.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3121364605
 potential> RMS force:                                               0.0819416862   |gradient|=.8748977958    
 Eigenvalues of the Hessian matrix:
   743.08534    674.58003    629.14130    601.97719    586.91401    577.54844 
   566.59851    486.79378    461.65422    460.33838    441.79551    428.82622 
   422.09050    408.54038    396.66371    388.14826    369.43571    360.62754 
   349.69406    335.00044    328.37803    321.84669    319.13598    310.13100 
   301.54198    290.12121    278.35818    272.11916    268.05540    264.76853 
   262.62779    253.55763    241.57945    240.15085    233.74937    227.56841 
   217.27442    214.76584    213.22802    207.34057    203.30031    196.10257 
   194.76431    191.29585    182.94615    174.05410    172.32665    167.95124 
   163.71168    157.32695    154.65007    152.15352    147.22560    143.51652 
   137.72458    135.90899    130.45853    128.66379    126.70125    124.73741 
   119.94561    118.15513    117.08547    110.37098    107.06284    104.41521 
   102.92879     99.63489     95.99905     94.17261     92.66318     91.02330 
    88.82499     85.41544     80.84044     80.17011     78.09405     73.26194 
    72.74968     68.12495     65.12526     61.95087     59.96756     59.38748 
    58.48411     55.99556     52.53375     52.23727     50.03372     46.61756 
    43.07390     40.79134     37.89149     36.44359     32.81164     28.79526 
    28.47172     26.41761     23.26621     21.19359     20.13869     16.61767 
    13.86994     12.23906     10.07775      8.52906      5.95712      3.42461 
overlap for current and previous eigenvector    109 is         0.9999997382
overlap for current and previous eigenvector    110 is         0.9999997786
overlap for current and previous eigenvector    111 is         0.9999996696
overlap for current and previous eigenvector    112 is         0.9999996774
overlap for current and previous eigenvector    113 is         0.9999989169
overlap for current and previous eigenvector    114 is         0.9999991395
J1,K1,R1,R2,RAT=   7   7   -0.3363350280E-02     2.003161245        0.9966366497    
FOB,PFOB,DIAG,PSTEP=   -0.9156991614E-05   -0.9126293590E-05     743.0853419        0.1228286363E-07
J1,K1,R1,R2,RAT=   8   8   -0.1602906572E-01     2.016022240        0.9839709343    
FOB,PFOB,DIAG,PSTEP=   -0.8861281011E-05   -0.8721483305E-05     674.5800266        0.1292880418E-07
J1,K1,R1,R2,RAT=   9   9   -0.3506722108E-01     2.034994672        0.9649327789    
FOB,PFOB,DIAG,PSTEP=   -0.5316667386E-05   -0.5136536781E-05     629.1413011        0.8164657294E-08
J1,K1,R1,R2,RAT=  10  10    0.3422125819E-01     1.965856200        0.9657787418    
FOB,PFOB,DIAG,PSTEP=    0.3261007503E-05    0.3376552917E-05     601.9771872       -0.5608887218E-08
J1,K1,R1,R2,RAT=  11  11   -0.3260738250E-04     2.000062415        0.9999673926    
FOB,PFOB,DIAG,PSTEP=   -0.2439639181E-05   -0.2439559635E-05     586.9140141        0.4156525858E-08
J1,K1,R1,R2,RAT= 109 109   -0.2671880962E-02     2.002577248        0.9973281190    
FOB,PFOB,DIAG,PSTEP=    0.7838138079E-04    0.7817250328E-04     13.86993532       -0.5636378291E-05
J1,K1,R1,R2,RAT= 110 110   -0.1958646749         245.6389644        0.8041353251    
FOB,PFOB,DIAG,PSTEP=   -0.1504393674E-01   -0.1501996475E-01     12.23906051        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3059359182E-02     1.996777004        0.9967770042    
FOB,PFOB,DIAG,PSTEP=   -0.6971534080E-04   -0.6992929714E-04     10.07775158        0.6939545847E-05
J1,K1,R1,R2,RAT= 112 112   -0.9864814302         222.9992930        0.1351856983E-01
FOB,PFOB,DIAG,PSTEP=    0.2382674630E-01    0.2361687009E-01     8.529062769       -0.2494439580E-04
J1,K1,R1,R2,RAT= 113 113   -0.8059028110         176.4808949        0.1940971890    
FOB,PFOB,DIAG,PSTEP=    0.4798953453E-01    0.4755323695E-01     5.957123986       -0.9087899141E-04
J1,K1,R1,R2,RAT= 114 114    0.9516311954        -1273.830345        0.4836880461E-01
FOB,PFOB,DIAG,PSTEP=   -0.8731259764       -0.8718223905         3.424609041       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001     -0.00003      0.00002 
    -0.00003     -0.00002      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001      0.00003 
     0.00003     -0.00001      0.00002     -0.00003      0.00001     -0.00002 
    -0.00003      0.00002      0.00001      0.00004     -0.00002      0.00001 
    -0.00002      0.00001      0.00001      0.00004     -0.00001     -0.00009 
     0.00003     -0.00002     -0.00008     -0.00001     -0.00005     -0.00002 
     0.00001     -0.00002     -0.00003     -0.00002      0.00001     -0.00006 
     0.00001     -0.00002      0.00005     -0.00002      0.00002      0.00004 
    -0.00005     -0.00006      0.00003     -0.00005      0.00000     -0.00001 
     0.00003      0.00006     -0.00010     -0.00007      0.00000     -0.00011 
     0.00005     -0.00015      0.00007      0.00004      0.00007      0.00004 
     0.00008     -0.01504     -0.00007      0.02383      0.04799     -0.87313 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3940200285
 Log product of positive Hessian eigenvalues =          519.2004986989
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4246090414
 Unscaled step for mode    7=        0.0000000123
 Unscaled step for mode    8=        0.0000000131
 Unscaled step for mode    9=        0.0000000085
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000042
 Unscaled step for mode   12=        0.0000000198
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000131
 Unscaled step for mode   15=       -0.0000000048
 Unscaled step for mode   16=       -0.0000000142
 Unscaled step for mode   17=       -0.0000000045
 Unscaled step for mode   18=       -0.0000000073
 Unscaled step for mode   19=        0.0000000485
 Unscaled step for mode   20=       -0.0000000051
 Unscaled step for mode   21=       -0.0000000062
 Unscaled step for mode   22=        0.0000000361
 Unscaled step for mode   23=       -0.0000000116
 Unscaled step for mode   24=        0.0000000240
 Unscaled step for mode   25=        0.0000000701
 Unscaled step for mode   26=        0.0000001062
 Unscaled step for mode   27=        0.0000000499
 Unscaled step for mode   28=       -0.0000000298
 Unscaled step for mode   29=        0.0000001056
 Unscaled step for mode   30=       -0.0000000797
 Unscaled step for mode   31=        0.0000000902
 Unscaled step for mode   32=        0.0000000521
 Unscaled step for mode   33=       -0.0000000541
 Unscaled step for mode   34=        0.0000000756
 Unscaled step for mode   35=       -0.0000001008
 Unscaled step for mode   36=       -0.0000001111
 Unscaled step for mode   37=       -0.0000000727
 Unscaled step for mode   38=       -0.0000000272
 Unscaled step for mode   39=        0.0000000888
 Unscaled step for mode   40=        0.0000001548
 Unscaled step for mode   41=        0.0000002159
 Unscaled step for mode   42=        0.0000001150
 Unscaled step for mode   43=        0.0000000870
 Unscaled step for mode   44=        0.0000002296
 Unscaled step for mode   45=       -0.0000000537
 Unscaled step for mode   46=       -0.0000001857
 Unscaled step for mode   47=        0.0000001280
 Unscaled step for mode   48=       -0.0000000223
 Unscaled step for mode   49=       -0.0000001722
 Unscaled step for mode   50=        0.0000000108
 Unscaled step for mode   51=        0.0000000963
 Unscaled step for mode   52=       -0.0000000496
 Unscaled step for mode   53=       -0.0000000855
 Unscaled step for mode   54=       -0.0000001556
 Unscaled step for mode   55=       -0.0000001575
 Unscaled step for mode   56=        0.0000000654
 Unscaled step for mode   57=       -0.0000001076
 Unscaled step for mode   58=        0.0000001892
 Unscaled step for mode   59=       -0.0000000638
 Unscaled step for mode   60=        0.0000001695
 Unscaled step for mode   61=        0.0000002420
 Unscaled step for mode   62=       -0.0000001633
 Unscaled step for mode   63=       -0.0000000602
 Unscaled step for mode   64=       -0.0000003426
 Unscaled step for mode   65=        0.0000001513
 Unscaled step for mode   66=       -0.0000000452
 Unscaled step for mode   67=        0.0000001909
 Unscaled step for mode   68=       -0.0000000586
 Unscaled step for mode   69=       -0.0000000777
 Unscaled step for mode   70=       -0.0000003285
 Unscaled step for mode   71=        0.0000000657
 Unscaled step for mode   72=        0.0000008284
 Unscaled step for mode   73=       -0.0000002462
 Unscaled step for mode   74=        0.0000001797
 Unscaled step for mode   75=        0.0000008072
 Unscaled step for mode   76=        0.0000000729
 Unscaled step for mode   77=        0.0000005853
 Unscaled step for mode   78=        0.0000001969
 Unscaled step for mode   79=       -0.0000000592
 Unscaled step for mode   80=        0.0000002165
 Unscaled step for mode   81=        0.0000004064
 Unscaled step for mode   82=        0.0000002984
 Unscaled step for mode   83=       -0.0000001489
 Unscaled step for mode   84=        0.0000007927
 Unscaled step for mode   85=       -0.0000001218
 Unscaled step for mode   86=        0.0000003186
 Unscaled step for mode   87=       -0.0000007166
 Unscaled step for mode   88=        0.0000003855
 Unscaled step for mode   89=       -0.0000002982
 Unscaled step for mode   90=       -0.0000007409
 Unscaled step for mode   91=        0.0000009261
 Unscaled step for mode   92=        0.0000011183
 Unscaled step for mode   93=       -0.0000006597
 Unscaled step for mode   94=        0.0000010329
 Unscaled step for mode   95=       -0.0000000271
 Unscaled step for mode   96=        0.0000003116
 Unscaled step for mode   97=       -0.0000006704
 Unscaled step for mode   98=       -0.0000013882
 Unscaled step for mode   99=        0.0000027344
 Unscaled step for mode  100=        0.0000019542
 Unscaled step for mode  101=       -0.0000000536
 Unscaled step for mode  102=        0.0000039028
 Unscaled step for mode  103=       -0.0000019243
 Unscaled step for mode  104=        0.0000058483
 Unscaled step for mode  105=       -0.0000030171
 Unscaled step for mode  106=       -0.0000019595
 Unscaled step for mode  107=       -0.0000034442
 Unscaled step for mode  108=       -0.0000021873
 Unscaled step for mode  109=       -0.0000056512
 Unscaled step for mode  110=        0.0012291723
 Unscaled step for mode  111=        0.0000069177
 Unscaled step for mode  112=       -0.0027935731
 Unscaled step for mode  113=       -0.0080553000
 Unscaled step for mode  114=       -0.2402413552
 Largest modulus ratio of non-zero e/values=           216.9839923    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.120574E-14    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.847738E-15    0.100674E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.236898E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.125334E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.135375E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.505116E-15    0.974145E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.915699E-05    0.743085E+03  0.123229E-07 0.100000E-04    0.996637E+00
   8   -0.886128E-05    0.674580E+03  0.131360E-07 0.100000E-04    0.983971E+00
   9   -0.531667E-05    0.629141E+03  0.845067E-08 0.100000E-04    0.964933E+00
  10    0.326101E-05    0.601977E+03 -0.541716E-08 0.100000E-04    0.965779E+00
  11   -0.243964E-05    0.586914E+03  0.415672E-08 0.100000E-04    0.999967E+00
  12   -0.114545E-04    0.577548E+03  0.198330E-07 0.100000E-04    0.974677E+00
  13   -0.343815E-05    0.566599E+03  0.606805E-08 0.100000E-04    0.982095E+00
  14    0.638122E-05    0.486794E+03 -0.131087E-07 0.100000E-04    0.973325E+00
  15    0.219811E-05    0.461654E+03 -0.476138E-08 0.100000E-04    0.998052E+00
  16    0.651415E-05    0.460338E+03 -0.141508E-07 0.100000E-04    0.981398E+00
  17    0.200755E-05    0.441796E+03 -0.454407E-08 0.100000E-04    0.900974E+00
  18    0.312781E-05    0.428826E+03 -0.729390E-08 0.100000E-04    0.981347E+00
  19   -0.204788E-04    0.422090E+03  0.485176E-07 0.100000E-04    0.996508E+00
  20    0.207714E-05    0.408540E+03 -0.508430E-08 0.100000E-04    0.949208E+00
  21    0.245200E-05    0.396664E+03 -0.618155E-08 0.100000E-04    0.942977E+00
  22   -0.140029E-04    0.388148E+03  0.360762E-07 0.100000E-04    0.997338E+00
  23    0.430311E-05    0.369436E+03 -0.116478E-07 0.100000E-04    0.938897E+00
  24   -0.866317E-05    0.360628E+03  0.240225E-07 0.100000E-04    0.989973E+00
  25   -0.245194E-04    0.349694E+03  0.701166E-07 0.100000E-04    0.999064E+00
  26   -0.355771E-04    0.335000E+03  0.106200E-06 0.100000E-04    0.996092E+00
  27   -0.163862E-04    0.328378E+03  0.499003E-07 0.100000E-04    0.996291E+00
  28    0.959439E-05    0.321847E+03 -0.298104E-07 0.100000E-04    0.986735E+00
  29   -0.336992E-04    0.319136E+03  0.105595E-06 0.100000E-04    0.996829E+00
  30    0.247256E-04    0.310131E+03 -0.797262E-07 0.100000E-04    0.991295E+00
  31   -0.271902E-04    0.301542E+03  0.901704E-07 0.100000E-04    0.988445E+00
  32   -0.151164E-04    0.290121E+03  0.521038E-07 0.100000E-04    0.990754E+00
  33    0.150518E-04    0.278358E+03 -0.540734E-07 0.100000E-04    0.987350E+00
  34   -0.205680E-04    0.272119E+03  0.755846E-07 0.100000E-04    0.996623E+00
  35    0.270225E-04    0.268055E+03 -0.100810E-06 0.100000E-04    0.993223E+00
  36    0.294120E-04    0.264769E+03 -0.111086E-06 0.100000E-04    0.991779E+00
  37    0.190842E-04    0.262628E+03 -0.726662E-07 0.100000E-04    0.990413E+00
  38    0.689473E-05    0.253558E+03 -0.271919E-07 0.100000E-04    0.991259E+00
  39   -0.214579E-04    0.241579E+03  0.888233E-07 0.100000E-04    0.996135E+00
  40   -0.371662E-04    0.240151E+03  0.154762E-06 0.100000E-04    0.994391E+00
  41   -0.504699E-04    0.233749E+03  0.215915E-06 0.100000E-04    0.998295E+00
  42   -0.261629E-04    0.227568E+03  0.114967E-06 0.100000E-04    0.988173E+00
  43   -0.189025E-04    0.217274E+03  0.869983E-07 0.100000E-04    0.999363E+00
  44   -0.493028E-04    0.214766E+03  0.229565E-06 0.100000E-04    0.990803E+00
  45    0.114549E-04    0.213228E+03 -0.537215E-07 0.100000E-04    0.988771E+00
  46    0.384963E-04    0.207341E+03 -0.185667E-06 0.100000E-04    0.995867E+00
  47   -0.260260E-04    0.203300E+03  0.128018E-06 0.100000E-04    0.997105E+00
  48    0.437536E-05    0.196103E+03 -0.223116E-07 0.100000E-04    0.938712E+00
  49    0.335350E-04    0.194764E+03 -0.172183E-06 0.100000E-04    0.992133E+00
  50   -0.205711E-05    0.191296E+03  0.107536E-07 0.100000E-04    0.735865E+00
  51   -0.176235E-04    0.182946E+03  0.963317E-07 0.100000E-04    0.999502E+00
  52    0.863404E-05    0.174054E+03 -0.496055E-07 0.100000E-04    0.997339E+00
  53    0.147274E-04    0.172327E+03 -0.854624E-07 0.100000E-04    0.994693E+00
  54    0.261257E-04    0.167951E+03 -0.155555E-06 0.100000E-04    0.994866E+00
  55    0.257887E-04    0.163712E+03 -0.157525E-06 0.100000E-04    0.997833E+00
  56   -0.102952E-04    0.157327E+03  0.654382E-07 0.100000E-04    0.995870E+00
  57    0.166408E-04    0.154650E+03 -0.107603E-06 0.100000E-04    0.993921E+00
  58   -0.287859E-04    0.152154E+03  0.189190E-06 0.100000E-04    0.998005E+00
  59    0.939058E-05    0.147226E+03 -0.637836E-07 0.100000E-04    0.998176E+00
  60   -0.243191E-04    0.143517E+03  0.169451E-06 0.100000E-04    0.997405E+00
  61   -0.333352E-04    0.137725E+03  0.242042E-06 0.100000E-04    0.982385E+00
  62    0.221891E-04    0.135909E+03 -0.163264E-06 0.100000E-04    0.999768E+00
  63    0.784908E-05    0.130459E+03 -0.601653E-07 0.100000E-04    0.908230E+00
  64    0.440788E-04    0.128664E+03 -0.342589E-06 0.100000E-04    0.997683E+00
  65   -0.191753E-04    0.126701E+03  0.151343E-06 0.100000E-04    0.971385E+00
  66    0.563922E-05    0.124737E+03 -0.452087E-07 0.100000E-04    0.941879E+00
  67   -0.228932E-04    0.119946E+03  0.190863E-06 0.100000E-04    0.981513E+00
  68    0.692163E-05    0.118155E+03 -0.585809E-07 0.100000E-04    0.984714E+00
  69    0.909195E-05    0.117085E+03 -0.776522E-07 0.100000E-04    0.981856E+00
  70    0.362604E-04    0.110371E+03 -0.328532E-06 0.100000E-04    0.986627E+00
  71   -0.703007E-05    0.107063E+03  0.656631E-07 0.100000E-04    0.994043E+00
  72   -0.864970E-04    0.104415E+03  0.828395E-06 0.100000E-04    0.997262E+00
  73    0.253397E-04    0.102929E+03 -0.246186E-06 0.100000E-04    0.990092E+00
  74   -0.179012E-04    0.996349E+02  0.179668E-06 0.100000E-04    0.981009E+00
  75   -0.774889E-04    0.959990E+02  0.807184E-06 0.100000E-04    0.994403E+00
  76   -0.686943E-05    0.941726E+02  0.729451E-07 0.100000E-04    0.912221E+00
  77   -0.542336E-04    0.926632E+02  0.585276E-06 0.100000E-04    0.998448E+00
  78   -0.179192E-04    0.910233E+02  0.196864E-06 0.100000E-04    0.980771E+00
  79    0.525947E-05    0.888250E+02 -0.592116E-07 0.100000E-04    0.981535E+00
  80   -0.184913E-04    0.854154E+02  0.216487E-06 0.100000E-04    0.993711E+00
  81   -0.328535E-04    0.808404E+02  0.406400E-06 0.100000E-04    0.994517E+00
  82   -0.239227E-04    0.801701E+02  0.298400E-06 0.100000E-04    0.980694E+00
  83    0.116304E-04    0.780940E+02 -0.148928E-06 0.100000E-04    0.971535E+00
  84   -0.580719E-04    0.732619E+02  0.792661E-06 0.100000E-04    0.986348E+00
  85    0.886391E-05    0.727497E+02 -0.121841E-06 0.100000E-04    0.895908E+00
  86   -0.217054E-04    0.681250E+02  0.318612E-06 0.100000E-04    0.990313E+00
  87    0.466690E-04    0.651253E+02 -0.716604E-06 0.100000E-04    0.992656E+00
  88   -0.238851E-04    0.619509E+02  0.385549E-06 0.100000E-04    0.995531E+00
  89    0.178839E-04    0.599676E+02 -0.298226E-06 0.100000E-04    0.947012E+00
  90    0.440001E-04    0.593875E+02 -0.740898E-06 0.100000E-04    0.998368E+00
  91   -0.541632E-04    0.584841E+02  0.926118E-06 0.100000E-04    0.987966E+00
  92   -0.626208E-04    0.559956E+02  0.111832E-05 0.100000E-04    0.988498E+00
  93    0.346551E-04    0.525338E+02 -0.659673E-06 0.100000E-04    0.981135E+00
  94   -0.539547E-04    0.522373E+02  0.103288E-05 0.100000E-04    0.992677E+00
  95    0.135371E-05    0.500337E+02 -0.270560E-07 0.100000E-04    0.394474E+01
  96   -0.145249E-04    0.466176E+02  0.311577E-06 0.100000E-04    0.994424E+00
  97    0.288757E-04    0.430739E+02 -0.670375E-06 0.100000E-04    0.946781E+00
  98    0.566261E-04    0.407913E+02 -0.138819E-05 0.100000E-04    0.989444E+00
  99   -0.103609E-03    0.378915E+02  0.273436E-05 0.100000E-04    0.985745E+00
 100   -0.712189E-04    0.364436E+02  0.195422E-05 0.100000E-04    0.997329E+00
 101    0.175947E-05    0.328116E+02 -0.536233E-07 0.100000E-04    0.570368E+00
 102   -0.112382E-03    0.287953E+02  0.390279E-05 0.100000E-04    0.993903E+00
 103    0.547867E-04    0.284717E+02 -0.192425E-05 0.100000E-04    0.992730E+00
 104   -0.154499E-03    0.264176E+02  0.584833E-05 0.100000E-04    0.993455E+00
 105    0.701966E-04    0.232662E+02 -0.301711E-05 0.100000E-04    0.992980E+00
 106    0.415295E-04    0.211936E+02 -0.195953E-05 0.100000E-04    0.981635E+00
 107    0.693610E-04    0.201387E+02 -0.344417E-05 0.100000E-04    0.895309E+00
 108    0.363477E-04    0.166177E+02 -0.218729E-05 0.100000E-04    0.842575E+00
 109    0.783814E-04    0.138699E+02 -0.565117E-05 0.100000E-04    0.997328E+00
 110   -0.150439E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.804135E+00
 111   -0.697153E-04    0.100778E+02  0.691775E-05 0.100000E-04    0.996777E+00
 112    0.238267E-01    0.852906E+01 -0.271894E-04 0.271894E-04    0.135186E-01
 113    0.479895E-01    0.595712E+01 -0.990581E-04 0.990581E-04    0.194097E+00
 114   -0.873126E+00    0.342461E+01 -0.400000E-03 0.400000E-03    0.483688E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2402413552    

 Beginning of optimization cycle  476.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3117924575
 potential> RMS force:                                               0.0820657955   |gradient|=.8762229200    
 Eigenvalues of the Hessian matrix:
   743.16135    674.58178    629.16513    601.95324    586.90504    577.58766 
   566.58223    486.81866    461.63086    460.32915    441.79807    428.82560 
   422.08951    408.53725    396.65846    388.13804    369.45010    360.62201 
   349.68543    335.00318    328.39871    321.85056    319.12422    310.11869 
   301.52208    290.13291    278.36126    272.13298    268.06446    264.76984 
   262.65616    253.55001    241.57481    240.16470    233.74751    227.56150 
   217.25918    214.77083    213.23236    207.34548    203.29504    196.08933 
   194.76210    191.29517    182.93946    174.05419    172.32601    167.95605 
   163.70081    157.31479    154.65440    152.15825    147.21391    143.51641 
   137.73077    135.90802    130.45667    128.66728    126.70609    124.72777 
   119.94652    118.15541    117.08354    110.36848    107.05867    104.41389 
   102.92623     99.63344     96.00358     94.17478     92.64495     91.02669 
    88.81711     85.41865     80.83963     80.17428     78.09180     73.26583 
    72.75044     68.12267     65.11800     61.93663     59.96673     59.38782 
    58.47548     55.99403     52.53291     52.23487     50.03504     46.60887 
    43.07808     40.79436     37.89293     36.44306     32.79853     28.79591 
    28.47067     26.41158     23.26782     21.19759     20.13034     16.61481 
    13.87061     12.23905     10.07854      8.53195      5.94919      3.41873 
overlap for current and previous eigenvector    109 is         0.9999997188
overlap for current and previous eigenvector    110 is         0.9999997825
overlap for current and previous eigenvector    111 is        -0.9999996478
overlap for current and previous eigenvector    112 is         0.9999996210
overlap for current and previous eigenvector    113 is         0.9999987518
overlap for current and previous eigenvector    114 is         0.9999990221
J1,K1,R1,R2,RAT=   7   7   -0.4316872045E-02     2.004112305        0.9956831280    
FOB,PFOB,DIAG,PSTEP=   -0.9196525219E-05   -0.9156991614E-05     743.1613550        0.1232293399E-07
J1,K1,R1,R2,RAT=   8   8   -0.1551906108E-01     2.015513870        0.9844809389    
FOB,PFOB,DIAG,PSTEP=   -0.8998800129E-05   -0.8861281011E-05     674.5817775        0.1313599671E-07
J1,K1,R1,R2,RAT=   9   9   -0.5790673101E-01     2.057830993        0.9420932690    
FOB,PFOB,DIAG,PSTEP=   -0.5624549874E-05   -0.5316667386E-05     629.1651271        0.8450672968E-08
J1,K1,R1,R2,RAT=  10  10    0.6571264700E-02     1.993508304        0.9934287353    
FOB,PFOB,DIAG,PSTEP=    0.3239579412E-05    0.3261007503E-05     601.9532390       -0.5417161268E-08
J1,K1,R1,R2,RAT=  11  11    0.2457355333E-01     1.975457012        0.9754264467    
FOB,PFOB,DIAG,PSTEP=   -0.2379689494E-05   -0.2439639181E-05     586.9050446        0.4156723340E-08
J1,K1,R1,R2,RAT= 109 109   -0.2525819268E-01     2.025161370        0.9747418073    
FOB,PFOB,DIAG,PSTEP=    0.8036124865E-04    0.7838138079E-04     13.87060681       -0.5651171328E-05
J1,K1,R1,R2,RAT= 110 110   -0.1534792882         245.9884594        0.8465207118    
FOB,PFOB,DIAG,PSTEP=   -0.1506272115E-01   -0.1504393674E-01     12.23905299        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.023328939       -0.2348508637E-01    0.9765149136    
FOB,PFOB,DIAG,PSTEP=    0.7135273944E-04   -0.6971534080E-04     10.07853845        0.6917747501E-05
J1,K1,R1,R2,RAT= 112 112   -0.9087263613         206.3306992        0.9127363874E-01
FOB,PFOB,DIAG,PSTEP=    0.2403755133E-01    0.2382674630E-01     8.531951021       -0.2718939142E-04
J1,K1,R1,R2,RAT= 113 113   -0.7953268992         163.6605886        0.2046731008    
FOB,PFOB,DIAG,PSTEP=    0.4845823322E-01    0.4798953453E-01     5.949193234       -0.9905810064E-04
J1,K1,R1,R2,RAT= 114 114    0.9476234532        -1277.921366        0.5237654676E-01
FOB,PFOB,DIAG,PSTEP=   -0.8744218443       -0.8731259764         3.418731126       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001      0.00002     -0.00003      0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001     -0.00004      0.00001     -0.00009 
    -0.00002     -0.00002     -0.00008     -0.00001      0.00005     -0.00002 
     0.00001     -0.00002     -0.00003     -0.00002      0.00001      0.00006 
    -0.00001      0.00002     -0.00005      0.00002     -0.00002     -0.00004 
     0.00005      0.00006     -0.00004      0.00005     -0.00000     -0.00001 
    -0.00003     -0.00006      0.00010      0.00007      0.00001     -0.00011 
     0.00006     -0.00015      0.00007      0.00004      0.00008      0.00004 
     0.00008     -0.01506      0.00007      0.02404      0.04846     -0.87442 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3937429523
 Log product of positive Hessian eigenvalues =          519.1961186077
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4187311263
 Unscaled step for mode    7=        0.0000000124
 Unscaled step for mode    8=        0.0000000133
 Unscaled step for mode    9=        0.0000000089
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000205
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000135
 Unscaled step for mode   15=       -0.0000000045
 Unscaled step for mode   16=       -0.0000000138
 Unscaled step for mode   17=       -0.0000000039
 Unscaled step for mode   18=       -0.0000000068
 Unscaled step for mode   19=        0.0000000483
 Unscaled step for mode   20=       -0.0000000046
 Unscaled step for mode   21=       -0.0000000056
 Unscaled step for mode   22=        0.0000000365
 Unscaled step for mode   23=       -0.0000000125
 Unscaled step for mode   24=        0.0000000245
 Unscaled step for mode   25=        0.0000000698
 Unscaled step for mode   26=        0.0000001056
 Unscaled step for mode   27=        0.0000000492
 Unscaled step for mode   28=       -0.0000000291
 Unscaled step for mode   29=        0.0000001052
 Unscaled step for mode   30=        0.0000000808
 Unscaled step for mode   31=        0.0000000911
 Unscaled step for mode   32=        0.0000000534
 Unscaled step for mode   33=       -0.0000000538
 Unscaled step for mode   34=        0.0000000755
 Unscaled step for mode   35=       -0.0000001016
 Unscaled step for mode   36=       -0.0000001127
 Unscaled step for mode   37=       -0.0000000717
 Unscaled step for mode   38=       -0.0000000274
 Unscaled step for mode   39=        0.0000000882
 Unscaled step for mode   40=        0.0000001565
 Unscaled step for mode   41=        0.0000002164
 Unscaled step for mode   42=        0.0000001173
 Unscaled step for mode   43=        0.0000000867
 Unscaled step for mode   44=        0.0000002324
 Unscaled step for mode   45=       -0.0000000549
 Unscaled step for mode   46=       -0.0000001866
 Unscaled step for mode   47=        0.0000001286
 Unscaled step for mode   48=       -0.0000000203
 Unscaled step for mode   49=       -0.0000001729
 Unscaled step for mode   50=        0.0000000073
 Unscaled step for mode   51=        0.0000000954
 Unscaled step for mode   52=       -0.0000000486
 Unscaled step for mode   53=       -0.0000000848
 Unscaled step for mode   54=        0.0000001553
 Unscaled step for mode   55=       -0.0000001587
 Unscaled step for mode   56=        0.0000000683
 Unscaled step for mode   57=       -0.0000001062
 Unscaled step for mode   58=        0.0000001901
 Unscaled step for mode   59=       -0.0000000652
 Unscaled step for mode   60=       -0.0000001679
 Unscaled step for mode   61=       -0.0000002375
 Unscaled step for mode   62=       -0.0000001641
 Unscaled step for mode   63=       -0.0000000535
 Unscaled step for mode   64=       -0.0000003416
 Unscaled step for mode   65=        0.0000001457
 Unscaled step for mode   66=       -0.0000000431
 Unscaled step for mode   67=        0.0000001962
 Unscaled step for mode   68=        0.0000000568
 Unscaled step for mode   69=       -0.0000000769
 Unscaled step for mode   70=        0.0000003317
 Unscaled step for mode   71=       -0.0000000668
 Unscaled step for mode   72=        0.0000008278
 Unscaled step for mode   73=        0.0000002427
 Unscaled step for mode   74=        0.0000001773
 Unscaled step for mode   75=        0.0000008013
 Unscaled step for mode   76=        0.0000000665
 Unscaled step for mode   77=       -0.0000005889
 Unscaled step for mode   78=        0.0000001933
 Unscaled step for mode   79=       -0.0000000597
 Unscaled step for mode   80=        0.0000002157
 Unscaled step for mode   81=        0.0000004100
 Unscaled step for mode   82=        0.0000003034
 Unscaled step for mode   83=       -0.0000001454
 Unscaled step for mode   84=       -0.0000007839
 Unscaled step for mode   85=        0.0000001075
 Unscaled step for mode   86=       -0.0000003130
 Unscaled step for mode   87=        0.0000007082
 Unscaled step for mode   88=       -0.0000003968
 Unscaled step for mode   89=        0.0000003138
 Unscaled step for mode   90=        0.0000007406
 Unscaled step for mode   91=       -0.0000009028
 Unscaled step for mode   92=       -0.0000011275
 Unscaled step for mode   93=        0.0000006809
 Unscaled step for mode   94=       -0.0000010298
 Unscaled step for mode   95=        0.0000000424
 Unscaled step for mode   96=        0.0000003034
 Unscaled step for mode   97=        0.0000006291
 Unscaled step for mode   98=        0.0000013739
 Unscaled step for mode   99=       -0.0000026912
 Unscaled step for mode  100=       -0.0000019251
 Unscaled step for mode  101=       -0.0000001630
 Unscaled step for mode  102=        0.0000038790
 Unscaled step for mode  103=       -0.0000019442
 Unscaled step for mode  104=        0.0000058672
 Unscaled step for mode  105=       -0.0000029294
 Unscaled step for mode  106=       -0.0000018066
 Unscaled step for mode  107=       -0.0000037344
 Unscaled step for mode  108=       -0.0000026035
 Unscaled step for mode  109=       -0.0000057936
 Unscaled step for mode  110=        0.0012307078
 Unscaled step for mode  111=       -0.0000070797
 Unscaled step for mode  112=       -0.0028173346
 Unscaled step for mode  113=       -0.0081448050
 Unscaled step for mode  114=       -0.2409271765
 Largest modulus ratio of non-zero e/values=           217.3792929    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.900864E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.146378E-14    0.100673E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.295433E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.511743E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.500468E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.430997E-15    0.974147E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.919653E-05    0.743161E+03  0.123749E-07 0.100000E-04    0.995683E+00
   8   -0.899880E-05    0.674582E+03  0.133398E-07 0.100000E-04    0.984481E+00
   9   -0.562455E-05    0.629165E+03  0.893970E-08 0.100000E-04    0.942093E+00
  10    0.323958E-05    0.601953E+03 -0.538178E-08 0.100000E-04    0.993429E+00
  11   -0.237969E-05    0.586905E+03  0.405464E-08 0.100000E-04    0.975426E+00
  12   -0.118689E-04    0.577588E+03  0.205491E-07 0.100000E-04    0.963826E+00
  13   -0.340351E-05    0.566582E+03  0.600709E-08 0.100000E-04    0.989925E+00
  14    0.657648E-05    0.486819E+03 -0.135091E-07 0.100000E-04    0.969402E+00
  15    0.206066E-05    0.461631E+03 -0.446387E-08 0.100000E-04    0.937466E+00
  16    0.636492E-05    0.460329E+03 -0.138269E-07 0.100000E-04    0.977090E+00
  17    0.172189E-05    0.441798E+03 -0.389747E-08 0.100000E-04    0.857699E+00
  18    0.292864E-05    0.428826E+03 -0.682945E-08 0.100000E-04    0.936323E+00
  19   -0.203989E-04    0.422090E+03  0.483283E-07 0.100000E-04    0.996095E+00
  20    0.186434E-05    0.408537E+03 -0.456346E-08 0.100000E-04    0.897553E+00
  21    0.223320E-05    0.396658E+03 -0.563003E-08 0.100000E-04    0.910766E+00
  22   -0.141796E-04    0.388138E+03  0.365323E-07 0.100000E-04    0.987383E+00
  23    0.463226E-05    0.369450E+03 -0.125383E-07 0.100000E-04    0.923512E+00
  24   -0.883356E-05    0.360622E+03  0.244953E-07 0.100000E-04    0.980331E+00
  25   -0.244014E-04    0.349685E+03  0.697810E-07 0.100000E-04    0.995189E+00
  26   -0.353761E-04    0.335003E+03  0.105599E-06 0.100000E-04    0.994334E+00
  27   -0.161472E-04    0.328399E+03  0.491696E-07 0.100000E-04    0.985292E+00
  28    0.937480E-05    0.321851E+03 -0.291278E-07 0.100000E-04    0.977088E+00
  29   -0.335686E-04    0.319124E+03  0.105190E-06 0.100000E-04    0.996126E+00
  30   -0.250447E-04    0.310119E+03  0.807586E-07 0.100000E-04    0.987091E+00
  31   -0.274547E-04    0.301522E+03  0.910538E-07 0.100000E-04    0.990269E+00
  32   -0.155052E-04    0.290133E+03  0.534416E-07 0.100000E-04    0.974285E+00
  33    0.149639E-04    0.278361E+03 -0.537573E-07 0.100000E-04    0.994142E+00
  34   -0.205481E-04    0.272133E+03  0.755077E-07 0.100000E-04    0.998931E+00
  35    0.272434E-04    0.268064E+03 -0.101630E-06 0.100000E-04    0.991829E+00
  36    0.298347E-04    0.264770E+03 -0.112682E-06 0.100000E-04    0.985626E+00
  37    0.188232E-04    0.262656E+03 -0.716649E-07 0.100000E-04    0.986114E+00
  38    0.694817E-05    0.253550E+03 -0.274035E-07 0.100000E-04    0.992249E+00
  39   -0.213159E-04    0.241575E+03  0.882372E-07 0.100000E-04    0.993382E+00
  40   -0.375827E-04    0.240165E+03  0.156487E-06 0.100000E-04    0.988793E+00
  41   -0.505810E-04    0.233748E+03  0.216392E-06 0.100000E-04    0.997798E+00
  42   -0.266997E-04    0.227562E+03  0.117330E-06 0.100000E-04    0.979481E+00
  43   -0.188368E-04    0.217259E+03  0.867019E-07 0.100000E-04    0.996523E+00
  44   -0.499172E-04    0.214771E+03  0.232421E-06 0.100000E-04    0.987538E+00
  45    0.117117E-04    0.213232E+03 -0.549245E-07 0.100000E-04    0.977585E+00
  46    0.386976E-04    0.207345E+03 -0.186634E-06 0.100000E-04    0.994771E+00
  47   -0.261435E-04    0.203295E+03  0.128599E-06 0.100000E-04    0.995488E+00
  48    0.397759E-05    0.196089E+03 -0.202846E-07 0.100000E-04    0.909082E+00
  49    0.336806E-04    0.194762E+03 -0.172932E-06 0.100000E-04    0.995660E+00
  50   -0.139320E-05    0.191295E+03  0.728298E-08 0.100000E-04    0.677258E+00
  51   -0.174547E-04    0.182939E+03  0.954125E-07 0.100000E-04    0.990422E+00
  52    0.845987E-05    0.174054E+03 -0.486048E-07 0.100000E-04    0.979827E+00
  53    0.146048E-04    0.172326E+03 -0.847511E-07 0.100000E-04    0.991674E+00
  54   -0.260892E-04    0.167956E+03  0.155333E-06 0.100000E-04    0.998543E+00
  55    0.259810E-04    0.163701E+03 -0.158710E-06 0.100000E-04    0.992544E+00
  56   -0.107393E-04    0.157315E+03  0.682662E-07 0.100000E-04    0.956861E+00
  57    0.164201E-04    0.154654E+03 -0.106173E-06 0.100000E-04    0.986680E+00
  58   -0.289189E-04    0.152158E+03  0.190058E-06 0.100000E-04    0.995382E+00
  59    0.959374E-05    0.147214E+03 -0.651687E-07 0.100000E-04    0.978364E+00
  60    0.240972E-04    0.143516E+03 -0.167905E-06 0.100000E-04    0.990876E+00
  61    0.327147E-04    0.137731E+03 -0.237526E-06 0.100000E-04    0.981296E+00
  62    0.223006E-04    0.135908E+03 -0.164086E-06 0.100000E-04    0.994974E+00
  63    0.698143E-05    0.130457E+03 -0.535153E-07 0.100000E-04    0.889457E+00
  64    0.439580E-04    0.128667E+03 -0.341641E-06 0.100000E-04    0.997207E+00
  65   -0.184665E-04    0.126706E+03  0.145742E-06 0.100000E-04    0.962957E+00
  66    0.537030E-05    0.124728E+03 -0.430562E-07 0.100000E-04    0.952310E+00
  67   -0.235392E-04    0.119947E+03  0.196248E-06 0.100000E-04    0.971779E+00
  68   -0.671646E-05    0.118155E+03  0.568443E-07 0.100000E-04    0.970353E+00
  69    0.899982E-05    0.117084E+03 -0.768666E-07 0.100000E-04    0.989866E+00
  70   -0.366094E-04    0.110368E+03  0.331701E-06 0.100000E-04    0.990377E+00
  71    0.714842E-05    0.107059E+03 -0.667710E-07 0.100000E-04    0.983165E+00
  72   -0.864314E-04    0.104414E+03  0.827777E-06 0.100000E-04    0.999242E+00
  73   -0.249791E-04    0.102926E+03  0.242690E-06 0.100000E-04    0.985772E+00
  74   -0.176632E-04    0.996334E+02  0.177282E-06 0.100000E-04    0.986705E+00
  75   -0.769291E-04    0.960036E+02  0.801315E-06 0.100000E-04    0.992683E+00
  76   -0.626006E-05    0.941748E+02  0.664728E-07 0.100000E-04    0.911248E+00
  77    0.545575E-04    0.926449E+02 -0.588888E-06 0.100000E-04    0.994026E+00
  78   -0.175930E-04    0.910267E+02  0.193273E-06 0.100000E-04    0.981722E+00
  79    0.530448E-05    0.888171E+02 -0.597236E-07 0.100000E-04    0.991440E+00
  80   -0.184240E-04    0.854186E+02  0.215691E-06 0.100000E-04    0.996287E+00
  81   -0.331418E-04    0.808396E+02  0.409970E-06 0.100000E-04    0.991225E+00
  82   -0.243272E-04    0.801743E+02  0.303429E-06 0.100000E-04    0.983095E+00
  83    0.113534E-04    0.780918E+02 -0.145386E-06 0.100000E-04    0.976183E+00
  84    0.574327E-04    0.732658E+02 -0.783895E-06 0.100000E-04    0.988888E+00
  85   -0.782013E-05    0.727504E+02  0.107493E-06 0.100000E-04    0.882225E+00
  86    0.213231E-04    0.681227E+02 -0.313010E-06 0.100000E-04    0.982386E+00
  87   -0.461143E-04    0.651180E+02  0.708165E-06 0.100000E-04    0.988112E+00
  88    0.245777E-04    0.619366E+02 -0.396821E-06 0.100000E-04    0.970995E+00
  89   -0.188178E-04    0.599667E+02  0.313805E-06 0.100000E-04    0.947774E+00
  90   -0.439834E-04    0.593878E+02  0.740612E-06 0.100000E-04    0.999608E+00
  91    0.527901E-04    0.584755E+02 -0.902773E-06 0.100000E-04    0.974645E+00
  92    0.631335E-04    0.559940E+02 -0.112750E-05 0.100000E-04    0.991812E+00
  93   -0.357711E-04    0.525329E+02  0.680928E-06 0.100000E-04    0.967796E+00
  94    0.537915E-04    0.522349E+02 -0.102980E-05 0.100000E-04    0.996975E+00
  95   -0.212296E-05    0.500350E+02  0.424294E-07 0.100000E-04    0.431768E+00
  96   -0.141403E-04    0.466089E+02  0.303382E-06 0.100000E-04    0.973513E+00
  97   -0.271023E-04    0.430781E+02  0.629143E-06 0.100000E-04    0.938396E+00
  98   -0.560476E-04    0.407944E+02  0.137390E-05 0.100000E-04    0.989635E+00
  99    0.101979E-03    0.378929E+02 -0.269123E-05 0.100000E-04    0.984189E+00
 100    0.701573E-04    0.364431E+02 -0.192512E-05 0.100000E-04    0.985094E+00
 101    0.534531E-05    0.327985E+02 -0.162974E-06 0.100000E-04    0.103884E+01
 102   -0.111700E-03    0.287959E+02  0.387903E-05 0.100000E-04    0.993890E+00
 103    0.553516E-04    0.284707E+02 -0.194416E-05 0.100000E-04    0.989688E+00
 104   -0.154963E-03    0.264116E+02  0.586722E-05 0.100000E-04    0.996998E+00
 105    0.681600E-04    0.232678E+02 -0.292937E-05 0.100000E-04    0.970851E+00
 106    0.382958E-04    0.211976E+02 -0.180661E-05 0.100000E-04    0.921773E+00
 107    0.751743E-04    0.201303E+02 -0.373438E-05 0.100000E-04    0.916152E+00
 108    0.432571E-04    0.166148E+02 -0.260352E-05 0.100000E-04    0.809875E+00
 109    0.803612E-04    0.138706E+02 -0.579364E-05 0.100000E-04    0.974742E+00
 110   -0.150627E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.846521E+00
 111    0.713527E-04    0.100785E+02 -0.707967E-05 0.100000E-04    0.976515E+00
 112    0.240376E-01    0.853195E+01 -0.296364E-04 0.296364E-04    0.912736E-01
 113    0.484582E-01    0.594919E+01 -0.892415E-04 0.892415E-04    0.204673E+00
 114   -0.874422E+00    0.341873E+01 -0.400000E-03 0.400000E-03    0.523765E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2409271765    

 Beginning of optimization cycle  477.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3114475771
 potential> RMS force:                                               0.0821899030   |gradient|=.8775480258    
 Eigenvalues of the Hessian matrix:
   743.23687    674.58447    629.18845    601.92897    586.89660    577.62617 
   566.56689    486.84399    461.60778    460.31995    441.80089    428.82420 
   422.08845    408.53442    396.65336    388.12785    369.46448    360.61633 
   349.67645    335.00572    328.41908    321.85472    319.11179    310.10652 
   301.50193    290.14456    278.36390    272.14661    268.07323    264.77106 
   262.68375    253.54218    241.56989    240.17818    233.74535    227.55420 
   217.24393    214.77565    213.23658    207.35026    203.28988    196.07618 
   194.75958    191.29443    182.93249    174.05421    172.32525    167.96065 
   163.69009    157.30272    154.65858    152.16302    147.20248    143.51649 
   137.73678    135.90701    130.45507    128.67062    126.71097    124.71849 
   119.94745    118.15576    117.08181    110.36598    107.05468    104.41271 
   102.92372     99.63207     96.00828     94.17698     92.62674     91.02992 
    88.80938     85.42169     80.83881     80.17821     78.08963     73.26993 
    72.75149     68.12067     65.11100     61.92247     59.96585     59.38830 
    58.46705     55.99268     52.53217     52.23267     50.03627     46.60037 
    43.08212     40.79743     37.89451     36.44298     32.78555     28.79656 
    28.46961     26.40554     23.26934     21.20174     20.12190     16.61200 
    13.87128     12.23907     10.07931      8.53454      5.94122      3.41286 
overlap for current and previous eigenvector    109 is         0.9999997415
overlap for current and previous eigenvector    110 is         0.9999997922
overlap for current and previous eigenvector    111 is         0.9999996777
overlap for current and previous eigenvector    112 is         0.9999996695
overlap for current and previous eigenvector    113 is         0.9999988694
overlap for current and previous eigenvector    114 is         0.9999991209
J1,K1,R1,R2,RAT=   7   7   -0.3870453022E-02     2.003667247        0.9961295470    
FOB,PFOB,DIAG,PSTEP=   -0.9232123555E-05   -0.9196525219E-05     743.2368702        0.1237487008E-07
J1,K1,R1,R2,RAT=   8   8    0.1310773986E-01     1.986884272        0.9868842723    
FOB,PFOB,DIAG,PSTEP=   -0.8880845727E-05   -0.8998800129E-05     674.5844718        0.1333982095E-07
J1,K1,R1,R2,RAT=   9   9    0.2782339367E-01     1.972102462        0.9721024616    
FOB,PFOB,DIAG,PSTEP=   -0.5468050007E-05   -0.5624549874E-05     629.1884526        0.8939703794E-08
J1,K1,R1,R2,RAT=  10  10   -0.5099397641E-01     2.051074618        0.9490060236    
FOB,PFOB,DIAG,PSTEP=    0.3404771787E-05    0.3239579412E-05     601.9289687       -0.5381779185E-08
J1,K1,R1,R2,RAT=  11  11   -0.3430599685E-01     2.034334762        0.9656940032    
FOB,PFOB,DIAG,PSTEP=   -0.2461325940E-05   -0.2379689494E-05     586.8966034        0.4054641404E-08
J1,K1,R1,R2,RAT= 109 109    0.1220769219E-01     1.987695145        0.9876951454    
FOB,PFOB,DIAG,PSTEP=    0.7938017560E-04    0.8036124865E-04     13.87128069       -0.5793636122E-05
J1,K1,R1,R2,RAT= 110 110   -0.2134560222         246.3551187        0.7865439778    
FOB,PFOB,DIAG,PSTEP=   -0.1508884618E-01   -0.1506272115E-01     12.23906671        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1936457404E-02     1.997909854        0.9979098541    
FOB,PFOB,DIAG,PSTEP=    0.7121455728E-04    0.7135273944E-04     10.07931299       -0.7079671303E-05
J1,K1,R1,R2,RAT= 112 112   -0.6946299703         190.7647790        0.3053700297    
FOB,PFOB,DIAG,PSTEP=    0.2421324650E-01    0.2403755133E-01     8.534543972       -0.2963643665E-04
J1,K1,R1,R2,RAT= 113 113   -0.8714914440         183.6625258        0.1285085560    
FOB,PFOB,DIAG,PSTEP=    0.4892030113E-01    0.4845823322E-01     5.941220397       -0.8924153211E-04
J1,K1,R1,R2,RAT= 114 114    0.9499729012        -1282.017955        0.5002709884E-01
FOB,PFOB,DIAG,PSTEP=   -0.8757186952       -0.8744218443         3.412862769       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001     -0.00003     -0.00002 
    -0.00003     -0.00002      0.00002     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001      0.00002     -0.00003      0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001      0.00004      0.00001     -0.00009 
     0.00003      0.00002     -0.00008     -0.00001     -0.00006      0.00002 
     0.00001      0.00002      0.00003      0.00002     -0.00001      0.00006 
    -0.00001     -0.00002      0.00005      0.00002     -0.00002     -0.00004 
     0.00005      0.00006     -0.00004      0.00005      0.00000     -0.00001 
    -0.00003     -0.00006      0.00010      0.00007      0.00000     -0.00011 
     0.00005     -0.00016      0.00007      0.00004      0.00007      0.00004 
     0.00008     -0.01509      0.00007      0.02421      0.04892     -0.87572 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3934532398
 Log product of positive Hessian eigenvalues =          519.1917333874
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4128627694
 Unscaled step for mode    7=        0.0000000124
 Unscaled step for mode    8=        0.0000000132
 Unscaled step for mode    9=        0.0000000087
 Unscaled step for mode   10=       -0.0000000057
 Unscaled step for mode   11=        0.0000000042
 Unscaled step for mode   12=        0.0000000201
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=       -0.0000000133
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000141
 Unscaled step for mode   17=       -0.0000000044
 Unscaled step for mode   18=       -0.0000000070
 Unscaled step for mode   19=        0.0000000487
 Unscaled step for mode   20=       -0.0000000048
 Unscaled step for mode   21=       -0.0000000059
 Unscaled step for mode   22=        0.0000000365
 Unscaled step for mode   23=       -0.0000000117
 Unscaled step for mode   24=        0.0000000244
 Unscaled step for mode   25=        0.0000000701
 Unscaled step for mode   26=        0.0000001060
 Unscaled step for mode   27=        0.0000000494
 Unscaled step for mode   28=       -0.0000000295
 Unscaled step for mode   29=        0.0000001062
 Unscaled step for mode   30=        0.0000000797
 Unscaled step for mode   31=        0.0000000902
 Unscaled step for mode   32=        0.0000000532
 Unscaled step for mode   33=       -0.0000000545
 Unscaled step for mode   34=        0.0000000763
 Unscaled step for mode   35=       -0.0000001007
 Unscaled step for mode   36=       -0.0000001124
 Unscaled step for mode   37=       -0.0000000718
 Unscaled step for mode   38=       -0.0000000274
 Unscaled step for mode   39=        0.0000000888
 Unscaled step for mode   40=        0.0000001567
 Unscaled step for mode   41=        0.0000002160
 Unscaled step for mode   42=        0.0000001161
 Unscaled step for mode   43=        0.0000000851
 Unscaled step for mode   44=        0.0000002311
 Unscaled step for mode   45=       -0.0000000565
 Unscaled step for mode   46=       -0.0000001863
 Unscaled step for mode   47=        0.0000001274
 Unscaled step for mode   48=       -0.0000000217
 Unscaled step for mode   49=       -0.0000001715
 Unscaled step for mode   50=        0.0000000116
 Unscaled step for mode   51=        0.0000000953
 Unscaled step for mode   52=       -0.0000000493
 Unscaled step for mode   53=       -0.0000000855
 Unscaled step for mode   54=        0.0000001552
 Unscaled step for mode   55=       -0.0000001587
 Unscaled step for mode   56=        0.0000000680
 Unscaled step for mode   57=       -0.0000001079
 Unscaled step for mode   58=        0.0000001898
 Unscaled step for mode   59=       -0.0000000656
 Unscaled step for mode   60=       -0.0000001685
 Unscaled step for mode   61=       -0.0000002430
 Unscaled step for mode   62=       -0.0000001629
 Unscaled step for mode   63=       -0.0000000581
 Unscaled step for mode   64=       -0.0000003439
 Unscaled step for mode   65=        0.0000001504
 Unscaled step for mode   66=       -0.0000000441
 Unscaled step for mode   67=        0.0000001938
 Unscaled step for mode   68=        0.0000000575
 Unscaled step for mode   69=       -0.0000000793
 Unscaled step for mode   70=       -0.0000003270
 Unscaled step for mode   71=       -0.0000000650
 Unscaled step for mode   72=        0.0000008334
 Unscaled step for mode   73=       -0.0000002435
 Unscaled step for mode   74=       -0.0000001793
 Unscaled step for mode   75=        0.0000008029
 Unscaled step for mode   76=        0.0000000656
 Unscaled step for mode   77=        0.0000005951
 Unscaled step for mode   78=       -0.0000001928
 Unscaled step for mode   79=       -0.0000000599
 Unscaled step for mode   80=       -0.0000002127
 Unscaled step for mode   81=       -0.0000004096
 Unscaled step for mode   82=       -0.0000002985
 Unscaled step for mode   83=        0.0000001402
 Unscaled step for mode   84=       -0.0000007981
 Unscaled step for mode   85=        0.0000001166
 Unscaled step for mode   86=        0.0000003201
 Unscaled step for mode   87=       -0.0000007191
 Unscaled step for mode   88=       -0.0000003994
 Unscaled step for mode   89=        0.0000003048
 Unscaled step for mode   90=        0.0000007366
 Unscaled step for mode   91=       -0.0000009241
 Unscaled step for mode   92=       -0.0000011112
 Unscaled step for mode   93=        0.0000006843
 Unscaled step for mode   94=       -0.0000010355
 Unscaled step for mode   95=       -0.0000000249
 Unscaled step for mode   96=        0.0000003196
 Unscaled step for mode   97=        0.0000006726
 Unscaled step for mode   98=        0.0000013966
 Unscaled step for mode   99=       -0.0000027301
 Unscaled step for mode  100=       -0.0000019306
 Unscaled step for mode  101=       -0.0000000924
 Unscaled step for mode  102=        0.0000039208
 Unscaled step for mode  103=       -0.0000019317
 Unscaled step for mode  104=        0.0000059293
 Unscaled step for mode  105=       -0.0000029852
 Unscaled step for mode  106=       -0.0000018652
 Unscaled step for mode  107=       -0.0000033782
 Unscaled step for mode  108=       -0.0000022798
 Unscaled step for mode  109=       -0.0000057226
 Unscaled step for mode  110=        0.0012328410
 Unscaled step for mode  111=       -0.0000070654
 Unscaled step for mode  112=       -0.0028370645
 Unscaled step for mode  113=       -0.0082334910
 Unscaled step for mode  114=       -0.2416143011
 Largest modulus ratio of non-zero e/values=           217.7751994    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.180845E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.125908E-14    0.100673E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.851012E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.451652E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.226165E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.458008E-15    0.974149E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.923212E-05    0.743237E+03  0.124215E-07 0.100000E-04    0.996130E+00
   8   -0.888085E-05    0.674584E+03  0.131649E-07 0.100000E-04    0.986884E+00
   9   -0.546805E-05    0.629188E+03  0.869064E-08 0.100000E-04    0.972102E+00
  10    0.340477E-05    0.601929E+03 -0.565643E-08 0.100000E-04    0.949006E+00
  11   -0.246133E-05    0.586897E+03  0.419380E-08 0.100000E-04    0.965694E+00
  12   -0.116060E-04    0.577626E+03  0.200926E-07 0.100000E-04    0.977717E+00
  13   -0.334885E-05    0.566567E+03  0.591078E-08 0.100000E-04    0.983940E+00
  14    0.647361E-05    0.486844E+03 -0.132971E-07 0.100000E-04    0.984254E+00
  15    0.213132E-05    0.461608E+03 -0.461716E-08 0.100000E-04    0.965711E+00
  16    0.648392E-05    0.460320E+03 -0.140857E-07 0.100000E-04    0.981303E+00
  17    0.196029E-05    0.441801E+03 -0.443704E-08 0.100000E-04    0.861552E+00
  18    0.301792E-05    0.428824E+03 -0.703767E-08 0.100000E-04    0.969516E+00
  19   -0.205458E-04    0.422088E+03  0.486765E-07 0.100000E-04    0.992796E+00
  20    0.196929E-05    0.408534E+03 -0.482038E-08 0.100000E-04    0.943708E+00
  21    0.235066E-05    0.396653E+03 -0.592623E-08 0.100000E-04    0.947402E+00
  22   -0.141794E-04    0.388128E+03  0.365329E-07 0.100000E-04    0.999990E+00
  23    0.433176E-05    0.369464E+03 -0.117244E-07 0.100000E-04    0.935054E+00
  24   -0.878993E-05    0.360616E+03  0.243747E-07 0.100000E-04    0.995061E+00
  25   -0.245068E-04    0.349676E+03  0.700841E-07 0.100000E-04    0.995682E+00
  26   -0.355189E-04    0.335006E+03  0.106025E-06 0.100000E-04    0.995962E+00
  27   -0.162309E-04    0.328419E+03  0.494212E-07 0.100000E-04    0.994821E+00
  28    0.948741E-05    0.321855E+03 -0.294773E-07 0.100000E-04    0.987988E+00
  29   -0.339037E-04    0.319112E+03  0.106244E-06 0.100000E-04    0.990018E+00
  30   -0.247054E-04    0.310107E+03  0.796676E-07 0.100000E-04    0.986452E+00
  31   -0.272066E-04    0.301502E+03  0.902368E-07 0.100000E-04    0.990960E+00
  32   -0.154388E-04    0.290145E+03  0.532106E-07 0.100000E-04    0.995638E+00
  33    0.151663E-04    0.278364E+03 -0.544838E-07 0.100000E-04    0.986475E+00
  34   -0.207630E-04    0.272147E+03  0.762933E-07 0.100000E-04    0.989546E+00
  35    0.269953E-04    0.268073E+03 -0.100701E-06 0.100000E-04    0.990828E+00
  36    0.297683E-04    0.264771E+03 -0.112430E-06 0.100000E-04    0.997765E+00
  37    0.188688E-04    0.262684E+03 -0.718310E-07 0.100000E-04    0.997578E+00
  38    0.695213E-05    0.253542E+03 -0.274200E-07 0.100000E-04    0.999430E+00
  39   -0.214394E-04    0.241570E+03  0.887504E-07 0.100000E-04    0.994204E+00
  40   -0.376448E-04    0.240178E+03  0.156737E-06 0.100000E-04    0.998350E+00
  41   -0.504802E-04    0.233745E+03  0.215962E-06 0.100000E-04    0.998007E+00
  42   -0.264279E-04    0.227554E+03  0.116139E-06 0.100000E-04    0.989820E+00
  43   -0.184812E-04    0.217244E+03  0.850713E-07 0.100000E-04    0.981123E+00
  44   -0.496386E-04    0.214776E+03  0.231118E-06 0.100000E-04    0.994373E+00
  45    0.120391E-04    0.213237E+03 -0.564589E-07 0.100000E-04    0.972044E+00
  46    0.386326E-04    0.207350E+03 -0.186316E-06 0.100000E-04    0.998272E+00
  47   -0.258932E-04    0.203290E+03  0.127371E-06 0.100000E-04    0.990427E+00
  48    0.426343E-05    0.196076E+03 -0.217438E-07 0.100000E-04    0.928132E+00
  49    0.334095E-04    0.194760E+03 -0.171542E-06 0.100000E-04    0.991950E+00
  50   -0.222575E-05    0.191294E+03  0.116352E-07 0.100000E-04    0.402417E+00
  51   -0.174339E-04    0.182932E+03  0.953025E-07 0.100000E-04    0.998809E+00
  52    0.858672E-05    0.174054E+03 -0.493336E-07 0.100000E-04    0.985005E+00
  53    0.147278E-04    0.172325E+03 -0.854651E-07 0.100000E-04    0.991580E+00
  54   -0.260661E-04    0.167961E+03  0.155192E-06 0.100000E-04    0.999062E+00
  55    0.259740E-04    0.163690E+03 -0.158678E-06 0.100000E-04    0.999732E+00
  56   -0.106942E-04    0.157303E+03  0.679849E-07 0.100000E-04    0.995803E+00
  57    0.166900E-04    0.154659E+03 -0.107915E-06 0.100000E-04    0.983563E+00
  58   -0.288760E-04    0.152163E+03  0.189770E-06 0.100000E-04    0.998457E+00
  59    0.966308E-05    0.147202E+03 -0.656448E-07 0.100000E-04    0.992772E+00
  60    0.241880E-04    0.143516E+03 -0.168538E-06 0.100000E-04    0.996232E+00
  61    0.334648E-04    0.137737E+03 -0.242962E-06 0.100000E-04    0.977070E+00
  62    0.221340E-04    0.135907E+03 -0.162861E-06 0.100000E-04    0.992530E+00
  63    0.758436E-05    0.130455E+03 -0.581377E-07 0.100000E-04    0.913636E+00
  64    0.442537E-04    0.128671E+03 -0.343930E-06 0.100000E-04    0.993274E+00
  65   -0.190588E-04    0.126711E+03  0.150412E-06 0.100000E-04    0.967925E+00
  66    0.550488E-05    0.124718E+03 -0.441385E-07 0.100000E-04    0.974938E+00
  67   -0.232487E-04    0.119947E+03  0.193824E-06 0.100000E-04    0.987644E+00
  68   -0.679095E-05    0.118156E+03  0.574746E-07 0.100000E-04    0.988908E+00
  69    0.928955E-05    0.117082E+03 -0.793424E-07 0.100000E-04    0.967806E+00
  70    0.360919E-04    0.110366E+03 -0.327020E-06 0.100000E-04    0.985866E+00
  71    0.695447E-05    0.107055E+03 -0.649619E-07 0.100000E-04    0.972868E+00
  72   -0.870137E-04    0.104413E+03  0.833363E-06 0.100000E-04    0.993263E+00
  73    0.250653E-04    0.102924E+03 -0.243533E-06 0.100000E-04    0.996548E+00
  74    0.178607E-04    0.996321E+02 -0.179267E-06 0.100000E-04    0.988816E+00
  75   -0.770835E-04    0.960083E+02  0.802884E-06 0.100000E-04    0.997994E+00
  76   -0.618063E-05    0.941770E+02  0.656279E-07 0.100000E-04    0.987266E+00
  77   -0.551214E-04    0.926267E+02  0.595092E-06 0.100000E-04    0.989661E+00
  78    0.175490E-04    0.910299E+02 -0.192783E-06 0.100000E-04    0.997430E+00
  79    0.532367E-05    0.888094E+02 -0.599449E-07 0.100000E-04    0.996382E+00
  80    0.181700E-04    0.854217E+02 -0.212710E-06 0.100000E-04    0.986143E+00
  81    0.331076E-04    0.808388E+02 -0.409550E-06 0.100000E-04    0.998967E+00
  82    0.239326E-04    0.801782E+02 -0.298493E-06 0.100000E-04    0.983684E+00
  83   -0.109504E-04    0.780896E+02  0.140228E-06 0.100000E-04    0.964499E+00
  84    0.584738E-04    0.732699E+02 -0.798060E-06 0.100000E-04    0.981874E+00
  85   -0.848199E-05    0.727515E+02  0.116589E-06 0.100000E-04    0.915365E+00
  86   -0.218044E-04    0.681207E+02  0.320085E-06 0.100000E-04    0.977426E+00
  87    0.468199E-04    0.651110E+02 -0.719078E-06 0.100000E-04    0.984697E+00
  88    0.247300E-04    0.619225E+02 -0.399370E-06 0.100000E-04    0.993804E+00
  89   -0.182752E-04    0.599658E+02  0.304761E-06 0.100000E-04    0.971165E+00
  90   -0.437437E-04    0.593883E+02  0.736571E-06 0.100000E-04    0.994535E+00
  91    0.540274E-04    0.584670E+02 -0.924065E-06 0.100000E-04    0.976559E+00
  92    0.622213E-04    0.559927E+02 -0.111124E-05 0.100000E-04    0.985550E+00
  93   -0.359492E-04    0.525322E+02  0.684328E-06 0.100000E-04    0.995021E+00
  94    0.540845E-04    0.522327E+02 -0.103545E-05 0.100000E-04    0.994553E+00
  95    0.124549E-05    0.500363E+02 -0.248917E-07 0.100000E-04    0.586636E+00
  96   -0.148935E-04    0.466004E+02  0.319601E-06 0.100000E-04    0.946720E+00
  97   -0.289786E-04    0.430821E+02  0.672635E-06 0.100000E-04    0.930776E+00
  98   -0.569773E-04    0.407974E+02  0.139659E-05 0.100000E-04    0.983413E+00
  99    0.103456E-03    0.378945E+02 -0.273011E-05 0.100000E-04    0.985510E+00
 100    0.703560E-04    0.364430E+02 -0.193058E-05 0.100000E-04    0.997168E+00
 101    0.302999E-05    0.327856E+02 -0.924184E-07 0.100000E-04    0.566679E+00
 102   -0.112904E-03    0.287966E+02  0.392075E-05 0.100000E-04    0.989222E+00
 103    0.549939E-04    0.284696E+02 -0.193167E-05 0.100000E-04    0.993538E+00
 104   -0.156567E-03    0.264055E+02  0.592931E-05 0.100000E-04    0.989647E+00
 105    0.694646E-04    0.232693E+02 -0.298524E-05 0.100000E-04    0.980861E+00
 106    0.395459E-04    0.212017E+02 -0.186522E-05 0.100000E-04    0.967364E+00
 107    0.679751E-04    0.201219E+02 -0.337816E-05 0.100000E-04    0.904193E+00
 108    0.378715E-04    0.166120E+02 -0.227977E-05 0.100000E-04    0.875478E+00
 109    0.793802E-04    0.138713E+02 -0.572263E-05 0.100000E-04    0.987695E+00
 110   -0.150888E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.786544E+00
 111    0.712146E-04    0.100793E+02 -0.706542E-05 0.100000E-04    0.997910E+00
 112    0.242132E-01    0.853454E+01 -0.266995E-04 0.266995E-04    0.305370E+00
 113    0.489203E-01    0.594122E+01 -0.972733E-04 0.972733E-04    0.128509E+00
 114   -0.875719E+00    0.341286E+01 -0.400000E-03 0.400000E-03    0.500271E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2416143011    

 Beginning of optimization cycle  478.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3111025432
 potential> RMS force:                                               0.0823135820   |gradient|=.8788685559    
 Eigenvalues of the Hessian matrix:
   743.31295    674.58626    629.21220    601.90495    586.88782    577.66505 
   566.55068    486.86889    461.58463    460.31058    441.80353    428.82351 
   422.08748    408.53132    396.64818    388.11767    369.47893    360.61082 
   349.66787    335.00861    328.43970    321.85863    319.09998    310.09442 
   301.48201    290.15634    278.36700    272.16045    268.08239    264.77238 
   262.71202    253.53446    241.56524    240.19196    233.74358    227.54725 
   217.22897    214.78044    213.24075    207.35523    203.28459    196.06293 
   194.75734    191.29370    182.92577    174.05451    172.32441    167.96546 
   163.67923    157.29059    154.66284    152.16775    147.19085    143.51637 
   137.74295    135.90599    130.45328    128.67402    126.71582    124.70890 
   119.94833    118.15602    117.07983    110.36352    107.05055    104.41143 
   102.92112     99.63061     96.01293     94.17897     92.60852     91.03326 
    88.80151     85.42483     80.83799     80.18235     78.08736     73.27384 
    72.75226     68.11840     65.10389     61.90822     59.96486     59.38869 
    58.45840     55.99114     52.53133     52.23029     50.03755     46.59169 
    43.08630     40.80047     37.89592     36.44242     32.77248     28.79720 
    28.46856     26.39954     23.27093     21.20574     20.11350     16.60909 
    13.87195     12.23906     10.08010      8.53739      5.93326      3.40699 
overlap for current and previous eigenvector    109 is         0.9999997204
overlap for current and previous eigenvector    110 is         0.9999997850
overlap for current and previous eigenvector    111 is        -0.9999996473
overlap for current and previous eigenvector    112 is         0.9999996285
overlap for current and previous eigenvector    113 is         0.9999987694
overlap for current and previous eigenvector    114 is         0.9999990403
J1,K1,R1,R2,RAT=   7   7   -0.3327813274E-02     2.003123120        0.9966721867    
FOB,PFOB,DIAG,PSTEP=   -0.9262849483E-05   -0.9232123555E-05     743.3129457        0.1242150911E-07
J1,K1,R1,R2,RAT=   8   8   -0.1651227671E-01     2.016506981        0.9834877233    
FOB,PFOB,DIAG,PSTEP=   -0.9027489097E-05   -0.8880845727E-05     674.5862580        0.1316491277E-07
J1,K1,R1,R2,RAT=   9   9   -0.3544698974E-01     2.035371508        0.9645530103    
FOB,PFOB,DIAG,PSTEP=   -0.5661883235E-05   -0.5468050007E-05     629.2121997        0.8690639480E-08
J1,K1,R1,R2,RAT=  10  10    0.3694419732E-01     1.963135604        0.9630558027    
FOB,PFOB,DIAG,PSTEP=    0.3278990245E-05    0.3404771787E-05     601.9049523       -0.5656434504E-08
J1,K1,R1,R2,RAT=  11  11   -0.2798641411E-03     2.000309803        0.9997201359    
FOB,PFOB,DIAG,PSTEP=   -0.2462014766E-05   -0.2461325940E-05     586.8878180        0.4193798236E-08
J1,K1,R1,R2,RAT= 109 109   -0.2687258612E-02     2.002591187        0.9973127414    
FOB,PFOB,DIAG,PSTEP=    0.7959350091E-04    0.7938017560E-04     13.87194705       -0.5722627733E-05
J1,K1,R1,R2,RAT= 110 110   -0.1613492792         246.7299750        0.8386507208    
FOB,PFOB,DIAG,PSTEP=   -0.1510859382E-01   -0.1508884618E-01     12.23906419        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.996665510        0.3179329685E-02    0.9966655104    
FOB,PFOB,DIAG,PSTEP=   -0.7098812516E-04    0.7121455728E-04     10.08009500       -0.7065417789E-05
J1,K1,R1,R2,RAT= 112 112   -0.9216810109         213.3707910        0.7831898912E-01
FOB,PFOB,DIAG,PSTEP=    0.2442333813E-01    0.2421324650E-01     8.537389524       -0.2669949248E-04
J1,K1,R1,R2,RAT= 113 113   -0.8202165673         170.3446727        0.1797834327    
FOB,PFOB,DIAG,PSTEP=    0.4939368701E-01    0.4892030113E-01     5.933258117       -0.9727327000E-04
J1,K1,R1,R2,RAT= 114 114    0.9470117451        -1286.124584        0.5298825491E-01
FOB,PFOB,DIAG,PSTEP=   -0.8770092808       -0.8757186952         3.406994932       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001     -0.00003     -0.00002 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001      0.00002     -0.00003      0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004     -0.00002      0.00001 
    -0.00002     -0.00001      0.00001      0.00004     -0.00001      0.00009 
     0.00002      0.00002     -0.00008     -0.00001     -0.00006      0.00002 
     0.00001      0.00002      0.00003      0.00002     -0.00001     -0.00006 
     0.00001     -0.00002      0.00005      0.00002     -0.00002     -0.00004 
     0.00005      0.00006     -0.00004      0.00005      0.00000     -0.00001 
    -0.00003     -0.00006      0.00010      0.00007      0.00001     -0.00011 
     0.00006     -0.00016      0.00007      0.00004      0.00008      0.00004 
     0.00008     -0.01511     -0.00007      0.02442      0.04939     -0.87701 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3931759617
 Log product of positive Hessian eigenvalues =          519.1873262792
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4069949325
 Unscaled step for mode    7=        0.0000000125
 Unscaled step for mode    8=        0.0000000134
 Unscaled step for mode    9=        0.0000000090
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000042
 Unscaled step for mode   12=        0.0000000206
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000137
 Unscaled step for mode   15=       -0.0000000046
 Unscaled step for mode   16=       -0.0000000138
 Unscaled step for mode   17=       -0.0000000039
 Unscaled step for mode   18=       -0.0000000069
 Unscaled step for mode   19=        0.0000000485
 Unscaled step for mode   20=       -0.0000000045
 Unscaled step for mode   21=       -0.0000000055
 Unscaled step for mode   22=        0.0000000366
 Unscaled step for mode   23=       -0.0000000124
 Unscaled step for mode   24=        0.0000000246
 Unscaled step for mode   25=        0.0000000700
 Unscaled step for mode   26=        0.0000001056
 Unscaled step for mode   27=        0.0000000492
 Unscaled step for mode   28=       -0.0000000290
 Unscaled step for mode   29=        0.0000001058
 Unscaled step for mode   30=        0.0000000804
 Unscaled step for mode   31=        0.0000000913
 Unscaled step for mode   32=        0.0000000537
 Unscaled step for mode   33=       -0.0000000537
 Unscaled step for mode   34=        0.0000000760
 Unscaled step for mode   35=       -0.0000001014
 Unscaled step for mode   36=       -0.0000001134
 Unscaled step for mode   37=       -0.0000000710
 Unscaled step for mode   38=       -0.0000000277
 Unscaled step for mode   39=        0.0000000884
 Unscaled step for mode   40=        0.0000001576
 Unscaled step for mode   41=        0.0000002163
 Unscaled step for mode   42=        0.0000001176
 Unscaled step for mode   43=        0.0000000851
 Unscaled step for mode   44=        0.0000002333
 Unscaled step for mode   45=       -0.0000000571
 Unscaled step for mode   46=       -0.0000001871
 Unscaled step for mode   47=        0.0000001278
 Unscaled step for mode   48=       -0.0000000201
 Unscaled step for mode   49=       -0.0000001730
 Unscaled step for mode   50=        0.0000000075
 Unscaled step for mode   51=        0.0000000952
 Unscaled step for mode   52=       -0.0000000491
 Unscaled step for mode   53=       -0.0000000850
 Unscaled step for mode   54=        0.0000001560
 Unscaled step for mode   55=       -0.0000001590
 Unscaled step for mode   56=        0.0000000683
 Unscaled step for mode   57=       -0.0000001072
 Unscaled step for mode   58=        0.0000001901
 Unscaled step for mode   59=       -0.0000000655
 Unscaled step for mode   60=       -0.0000001680
 Unscaled step for mode   61=       -0.0000002383
 Unscaled step for mode   62=       -0.0000001630
 Unscaled step for mode   63=       -0.0000000516
 Unscaled step for mode   64=       -0.0000003429
 Unscaled step for mode   65=        0.0000001456
 Unscaled step for mode   66=       -0.0000000411
 Unscaled step for mode   67=        0.0000001975
 Unscaled step for mode   68=        0.0000000565
 Unscaled step for mode   69=       -0.0000000778
 Unscaled step for mode   70=       -0.0000003316
 Unscaled step for mode   71=        0.0000000654
 Unscaled step for mode   72=       -0.0000008307
 Unscaled step for mode   73=       -0.0000002409
 Unscaled step for mode   74=       -0.0000001756
 Unscaled step for mode   75=        0.0000007979
 Unscaled step for mode   76=        0.0000000586
 Unscaled step for mode   77=        0.0000005959
 Unscaled step for mode   78=       -0.0000001967
 Unscaled step for mode   79=       -0.0000000589
 Unscaled step for mode   80=       -0.0000002142
 Unscaled step for mode   81=       -0.0000004119
 Unscaled step for mode   82=       -0.0000003043
 Unscaled step for mode   83=        0.0000001448
 Unscaled step for mode   84=        0.0000007861
 Unscaled step for mode   85=       -0.0000001017
 Unscaled step for mode   86=        0.0000003166
 Unscaled step for mode   87=       -0.0000007132
 Unscaled step for mode   88=       -0.0000003971
 Unscaled step for mode   89=        0.0000003207
 Unscaled step for mode   90=        0.0000007385
 Unscaled step for mode   91=       -0.0000009118
 Unscaled step for mode   92=       -0.0000011252
 Unscaled step for mode   93=        0.0000006967
 Unscaled step for mode   94=       -0.0000010276
 Unscaled step for mode   95=       -0.0000000490
 Unscaled step for mode   96=        0.0000003175
 Unscaled step for mode   97=        0.0000006322
 Unscaled step for mode   98=        0.0000013804
 Unscaled step for mode   99=       -0.0000026882
 Unscaled step for mode  100=       -0.0000019250
 Unscaled step for mode  101=       -0.0000001731
 Unscaled step for mode  102=        0.0000038946
 Unscaled step for mode  103=       -0.0000019462
 Unscaled step for mode  104=        0.0000058870
 Unscaled step for mode  105=       -0.0000029612
 Unscaled step for mode  106=       -0.0000018300
 Unscaled step for mode  107=       -0.0000037343
 Unscaled step for mode  108=       -0.0000026050
 Unscaled step for mode  109=       -0.0000057377
 Unscaled step for mode  110=        0.0012344547
 Unscaled step for mode  111=        0.0000070424
 Unscaled step for mode  112=       -0.0028607267
 Unscaled step for mode  113=       -0.0083243074
 Unscaled step for mode  114=       -0.2423015179
 Largest modulus ratio of non-zero e/values=           218.1726009    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.788107E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.222977E-14    0.100673E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.758180E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.347595E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.439698E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.312020E-15    0.974151E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.926285E-05    0.743313E+03  0.124616E-07 0.100000E-04    0.996672E+00
   8   -0.902749E-05    0.674586E+03  0.133823E-07 0.100000E-04    0.983488E+00
   9   -0.566188E-05    0.629212E+03  0.899837E-08 0.100000E-04    0.964553E+00
  10    0.327899E-05    0.601905E+03 -0.544769E-08 0.100000E-04    0.963056E+00
  11   -0.246201E-05    0.586888E+03  0.419503E-08 0.100000E-04    0.999720E+00
  12   -0.119061E-04    0.577665E+03  0.206107E-07 0.100000E-04    0.974146E+00
  13   -0.341427E-05    0.566551E+03  0.602642E-08 0.100000E-04    0.980466E+00
  14    0.664828E-05    0.486869E+03 -0.136552E-07 0.100000E-04    0.973019E+00
  15    0.213138E-05    0.461585E+03 -0.461754E-08 0.100000E-04    0.999968E+00
  16    0.634795E-05    0.460311E+03 -0.137906E-07 0.100000E-04    0.979030E+00
  17    0.171985E-05    0.441804E+03 -0.389280E-08 0.100000E-04    0.877336E+00
  18    0.295380E-05    0.428824E+03 -0.688814E-08 0.100000E-04    0.978752E+00
  19   -0.204651E-04    0.422087E+03  0.484854E-07 0.100000E-04    0.996071E+00
  20    0.185454E-05    0.408531E+03 -0.453953E-08 0.100000E-04    0.941730E+00
  21    0.219326E-05    0.396648E+03 -0.552948E-08 0.100000E-04    0.933039E+00
  22   -0.142159E-04    0.388118E+03  0.366279E-07 0.100000E-04    0.997426E+00
  23    0.459838E-05    0.369479E+03 -0.124456E-07 0.100000E-04    0.938455E+00
  24   -0.887811E-05    0.360611E+03  0.246197E-07 0.100000E-04    0.989968E+00
  25   -0.244780E-04    0.349668E+03  0.700034E-07 0.100000E-04    0.998825E+00
  26   -0.353668E-04    0.335009E+03  0.105570E-06 0.100000E-04    0.995700E+00
  27   -0.161639E-04    0.328440E+03  0.492143E-07 0.100000E-04    0.995752E+00
  28    0.934560E-05    0.321859E+03 -0.290364E-07 0.100000E-04    0.985029E+00
  29   -0.337712E-04    0.319100E+03  0.105833E-06 0.100000E-04    0.996093E+00
  30   -0.249367E-04    0.310094E+03  0.804166E-07 0.100000E-04    0.990637E+00
  31   -0.275369E-04    0.301482E+03  0.913384E-07 0.100000E-04    0.987859E+00
  32   -0.155869E-04    0.290156E+03  0.537189E-07 0.100000E-04    0.990406E+00
  33    0.149546E-04    0.278367E+03 -0.537227E-07 0.100000E-04    0.986019E+00
  34   -0.206793E-04    0.272160E+03  0.759821E-07 0.100000E-04    0.995871E+00
  35    0.271859E-04    0.268082E+03 -0.101409E-06 0.100000E-04    0.992939E+00
  36    0.300219E-04    0.264772E+03 -0.113388E-06 0.100000E-04    0.991482E+00
  37    0.186636E-04    0.262712E+03 -0.710419E-07 0.100000E-04    0.988908E+00
  38    0.701137E-05    0.253534E+03 -0.276545E-07 0.100000E-04    0.991479E+00
  39   -0.213516E-04    0.241565E+03  0.883886E-07 0.100000E-04    0.995904E+00
  40   -0.378484E-04    0.240192E+03  0.157576E-06 0.100000E-04    0.994591E+00
  41   -0.505625E-04    0.233744E+03  0.216316E-06 0.100000E-04    0.998369E+00
  42   -0.267504E-04    0.227547E+03  0.117560E-06 0.100000E-04    0.987800E+00
  43   -0.184823E-04    0.217229E+03  0.850821E-07 0.100000E-04    0.999942E+00
  44   -0.501036E-04    0.214780E+03  0.233278E-06 0.100000E-04    0.990632E+00
  45    0.121794E-04    0.213241E+03 -0.571156E-07 0.100000E-04    0.988349E+00
  46    0.387956E-04    0.207355E+03 -0.187097E-06 0.100000E-04    0.995780E+00
  47   -0.259754E-04    0.203285E+03  0.127778E-06 0.100000E-04    0.996825E+00
  48    0.394768E-05    0.196063E+03 -0.201348E-07 0.100000E-04    0.925934E+00
  49    0.336844E-04    0.194757E+03 -0.172956E-06 0.100000E-04    0.991771E+00
  50   -0.143537E-05    0.191294E+03  0.750349E-08 0.100000E-04    0.644892E+00
  51   -0.174191E-04    0.182926E+03  0.952249E-07 0.100000E-04    0.999149E+00
  52    0.855053E-05    0.174055E+03 -0.491256E-07 0.100000E-04    0.995781E+00
  53    0.146454E-04    0.172324E+03 -0.849871E-07 0.100000E-04    0.994402E+00
  54   -0.262014E-04    0.167965E+03  0.155993E-06 0.100000E-04    0.994810E+00
  55    0.260282E-04    0.163679E+03 -0.159019E-06 0.100000E-04    0.997915E+00
  56   -0.107402E-04    0.157291E+03  0.682828E-07 0.100000E-04    0.995695E+00
  57    0.165751E-04    0.154663E+03 -0.107169E-06 0.100000E-04    0.993061E+00
  58   -0.289344E-04    0.152168E+03  0.190148E-06 0.100000E-04    0.997980E+00
  59    0.963934E-05    0.147191E+03 -0.654887E-07 0.100000E-04    0.997543E+00
  60    0.241132E-04    0.143516E+03 -0.168017E-06 0.100000E-04    0.996908E+00
  61    0.328194E-04    0.137743E+03 -0.238266E-06 0.100000E-04    0.980624E+00
  62    0.221479E-04    0.135906E+03 -0.162965E-06 0.100000E-04    0.999370E+00
  63    0.673372E-05    0.130453E+03 -0.516179E-07 0.100000E-04    0.887841E+00
  64    0.441230E-04    0.128674E+03 -0.342905E-06 0.100000E-04    0.996994E+00
  65   -0.184516E-04    0.126716E+03  0.145614E-06 0.100000E-04    0.968065E+00
  66    0.513111E-05    0.124709E+03 -0.411447E-07 0.100000E-04    0.932097E+00
  67   -0.236856E-04    0.119948E+03  0.197465E-06 0.100000E-04    0.981208E+00
  68   -0.667753E-05    0.118156E+03  0.565145E-07 0.100000E-04    0.983294E+00
  69    0.910729E-05    0.117080E+03 -0.777870E-07 0.100000E-04    0.980380E+00
  70    0.366009E-04    0.110364E+03 -0.331639E-06 0.100000E-04    0.985898E+00
  71   -0.699975E-05    0.107051E+03  0.653873E-07 0.100000E-04    0.993489E+00
  72    0.867347E-04    0.104411E+03 -0.830701E-06 0.100000E-04    0.996794E+00
  73    0.247935E-04    0.102921E+03 -0.240898E-06 0.100000E-04    0.989154E+00
  74    0.174999E-04    0.996306E+02 -0.175648E-06 0.100000E-04    0.979799E+00
  75   -0.766108E-04    0.960129E+02  0.797922E-06 0.100000E-04    0.993771E+00
  76   -0.551465E-05    0.941790E+02  0.585550E-07 0.100000E-04    0.892207E+00
  77   -0.551878E-04    0.926085E+02  0.595926E-06 0.100000E-04    0.998795E+00
  78    0.179026E-04    0.910333E+02 -0.196661E-06 0.100000E-04    0.979850E+00
  79    0.522609E-05    0.888015E+02 -0.588514E-07 0.100000E-04    0.981669E+00
  80    0.183021E-04    0.854248E+02 -0.214248E-06 0.100000E-04    0.992730E+00
  81    0.332958E-04    0.808380E+02 -0.411883E-06 0.100000E-04    0.994316E+00
  82    0.244026E-04    0.801823E+02 -0.304339E-06 0.100000E-04    0.980364E+00
  83   -0.113041E-04    0.780874E+02  0.144763E-06 0.100000E-04    0.967695E+00
  84   -0.576018E-04    0.732738E+02  0.786117E-06 0.100000E-04    0.984982E+00
  85    0.739685E-05    0.727523E+02 -0.101672E-06 0.100000E-04    0.872046E+00
  86   -0.215639E-04    0.681184E+02  0.316565E-06 0.100000E-04    0.988969E+00
  87    0.464346E-04    0.651039E+02 -0.713238E-06 0.100000E-04    0.991769E+00
  88    0.245838E-04    0.619082E+02 -0.397100E-06 0.100000E-04    0.994085E+00
  89   -0.192313E-04    0.599649E+02  0.320709E-06 0.100000E-04    0.947686E+00
  90   -0.438577E-04    0.593887E+02  0.738485E-06 0.100000E-04    0.997395E+00
  91    0.533031E-04    0.584584E+02 -0.911813E-06 0.100000E-04    0.986593E+00
  92    0.630018E-04    0.559911E+02 -0.112521E-05 0.100000E-04    0.987456E+00
  93   -0.366004E-04    0.525313E+02  0.696735E-06 0.100000E-04    0.981885E+00
  94    0.536699E-04    0.522303E+02 -0.102756E-05 0.100000E-04    0.992333E+00
  95    0.244941E-05    0.500375E+02 -0.489515E-07 0.109000E-04    0.333931E-01
  96   -0.147943E-04    0.465917E+02  0.317531E-06 0.100000E-04    0.993337E+00
  97   -0.272395E-04    0.430863E+02  0.632208E-06 0.100000E-04    0.939800E+00
  98   -0.563196E-04    0.408005E+02  0.138037E-05 0.100000E-04    0.988309E+00
  99    0.101871E-03    0.378959E+02 -0.268818E-05 0.100000E-04    0.984604E+00
 100    0.701512E-04    0.364424E+02 -0.192499E-05 0.100000E-04    0.997089E+00
 101    0.567398E-05    0.327725E+02 -0.173133E-06 0.109000E-04    0.127043E+00
 102   -0.112154E-03    0.287972E+02  0.389463E-05 0.100000E-04    0.993314E+00
 103    0.554064E-04    0.284686E+02 -0.194623E-05 0.100000E-04    0.992500E+00
 104   -0.155413E-03    0.263995E+02  0.588696E-05 0.100000E-04    0.992631E+00
 105    0.689096E-04    0.232709E+02 -0.296119E-05 0.100000E-04    0.991875E+00
 106    0.388071E-04    0.212057E+02 -0.183003E-05 0.100000E-04    0.980945E+00
 107    0.751099E-04    0.201135E+02 -0.373430E-05 0.100000E-04    0.894994E+00
 108    0.432661E-04    0.166091E+02 -0.260496E-05 0.100000E-04    0.857531E+00
 109    0.795935E-04    0.138719E+02 -0.573773E-05 0.100000E-04    0.997313E+00
 110   -0.151086E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.838651E+00
 111   -0.709881E-04    0.100801E+02  0.704241E-05 0.100000E-04    0.996666E+00
 112    0.244233E-01    0.853739E+01 -0.291024E-04 0.291024E-04    0.783190E-01
 113    0.493937E-01    0.593326E+01 -0.106028E-03 0.106028E-03    0.179783E+00
 114   -0.877009E+00    0.340699E+01 -0.400000E-03 0.400000E-03    0.529883E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2423015179    

 Beginning of optimization cycle  479.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3107575307
 potential> RMS force:                                               0.0824366874   |gradient|=.8801829617    
 Eigenvalues of the Hessian matrix:
   743.39001    674.58745    629.23702    601.88026    586.87880    577.70399 
   566.53307    486.89345    461.56119    460.30096    441.80588    428.82344 
   422.08630    408.52754    396.64282    388.10698    369.49350    360.60547 
   349.65910    335.01180    328.46058    321.86240    319.08856    310.08204 
   301.46202    290.16806    278.37071    272.17436    268.09160    264.77382 
   262.74056    253.52654    241.56062    240.20596    233.74222    227.54051 
   217.21439    214.78524    213.24476    207.36037    203.27912    196.04946 
   194.75529    191.29316    182.91938    174.05514    172.32360    167.97036 
   163.66828    157.27845    154.66723    152.17236    147.17902    143.51607 
   137.74929    135.90498    130.45136    128.67749    126.72069    124.69892 
   119.94925    118.15632    117.07768    110.36118    107.04635    104.41025 
   102.91855     99.62910     96.01749     94.18080     92.59026     91.03668 
    88.79350     85.42808     80.83719     80.18674     78.08502     73.27765 
    72.75276     68.11602     65.09663     61.89382     59.96384     59.38911 
    58.44973     55.98953     52.53044     52.22776     50.03903     46.58287 
    43.09068     40.80351     37.89726     36.44168     32.75933     28.79794 
    28.46755     26.39366     23.27249     21.20975     20.10513     16.60614 
    13.87263     12.23906     10.08084      8.54079      5.92546      3.40111 
overlap for current and previous eigenvector    109 is         0.9999996969
overlap for current and previous eigenvector    110 is         0.9999997886
overlap for current and previous eigenvector    111 is         0.9999996219
overlap for current and previous eigenvector    112 is         0.9999995474
overlap for current and previous eigenvector    113 is         0.9999985650
overlap for current and previous eigenvector    114 is         0.9999989058
J1,K1,R1,R2,RAT=   7   7   -0.4341067718E-02     2.004133742        0.9956589323    
FOB,PFOB,DIAG,PSTEP=   -0.9303064309E-05   -0.9262849483E-05     743.3900078        0.1246157428E-07
J1,K1,R1,R2,RAT=   8   8   -0.1613918384E-01     2.016135655        0.9838608162    
FOB,PFOB,DIAG,PSTEP=   -0.9173185661E-05   -0.9027489097E-05     674.5874482        0.1338226059E-07
J1,K1,R1,R2,RAT=   9   9   -0.5836857640E-01     2.058289688        0.9416314236    
FOB,PFOB,DIAG,PSTEP=   -0.5992372335E-05   -0.5661883235E-05     629.2370193        0.8998368495E-08
J1,K1,R1,R2,RAT=  10  10    0.7440615656E-02     1.992641428        0.9925593843    
FOB,PFOB,DIAG,PSTEP=    0.3254593540E-05    0.3278990245E-05     601.8802620       -0.5447687767E-08
J1,K1,R1,R2,RAT=  11  11    0.2532277455E-01     1.974707974        0.9746772254    
FOB,PFOB,DIAG,PSTEP=   -0.2399670680E-05   -0.2462014766E-05     586.8787951        0.4195034708E-08
J1,K1,R1,R2,RAT= 109 109   -0.2608258129E-01     2.025984213        0.9739174187    
FOB,PFOB,DIAG,PSTEP=    0.8166960698E-04    0.7959350091E-04     13.87262936       -0.5737731022E-05
J1,K1,R1,R2,RAT= 110 110   -0.1159614301         247.0074170        0.8840385699    
FOB,PFOB,DIAG,PSTEP=   -0.1512278641E-01   -0.1510859382E-01     12.23905768        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2455949489E-01     2.024412295        0.9754405051    
FOB,PFOB,DIAG,PSTEP=   -0.7273168598E-04   -0.7098812516E-04     10.08083695        0.7042406361E-05
J1,K1,R1,R2,RAT= 112 112   -0.8475592422         197.3677688        0.1524407578    
FOB,PFOB,DIAG,PSTEP=    0.2463400578E-01    0.2442333813E-01     8.540794948       -0.2910244680E-04
J1,K1,R1,R2,RAT= 113 113   -0.8099221204         158.0486716        0.1900778796    
FOB,PFOB,DIAG,PSTEP=    0.4990253155E-01    0.4939368701E-01     5.925456938       -0.1060278643E-03
J1,K1,R1,R2,RAT= 114 114    0.9425569820        -1290.240564        0.5744301800E-01
FOB,PFOB,DIAG,PSTEP=   -0.8782915774       -0.8770092808         3.401111597       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00000     -0.00001 
    -0.00002     -0.00004     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003     -0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001      0.00002     -0.00003      0.00001      0.00002 
     0.00003      0.00002      0.00001      0.00004     -0.00002      0.00000 
    -0.00002     -0.00001      0.00001      0.00004     -0.00001      0.00009 
     0.00002      0.00002     -0.00008     -0.00000      0.00006     -0.00002 
     0.00001      0.00002      0.00003      0.00002     -0.00001     -0.00006 
     0.00001     -0.00002      0.00005      0.00003     -0.00002     -0.00004 
     0.00005      0.00006     -0.00004     -0.00005     -0.00000     -0.00001 
    -0.00003     -0.00006      0.00010      0.00007      0.00001     -0.00011 
     0.00006     -0.00016      0.00007      0.00004      0.00008      0.00005 
     0.00008     -0.01512     -0.00007      0.02463      0.04990     -0.87829 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3928949206
 Log product of positive Hessian eigenvalues =          519.1829896428
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.4011115971
 Unscaled step for mode    7=        0.0000000125
 Unscaled step for mode    8=        0.0000000136
 Unscaled step for mode    9=        0.0000000095
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000214
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000141
 Unscaled step for mode   15=       -0.0000000043
 Unscaled step for mode   16=       -0.0000000134
 Unscaled step for mode   17=       -0.0000000032
 Unscaled step for mode   18=       -0.0000000064
 Unscaled step for mode   19=        0.0000000483
 Unscaled step for mode   20=       -0.0000000040
 Unscaled step for mode   21=       -0.0000000049
 Unscaled step for mode   22=        0.0000000371
 Unscaled step for mode   23=       -0.0000000134
 Unscaled step for mode   24=        0.0000000251
 Unscaled step for mode   25=        0.0000000696
 Unscaled step for mode   26=        0.0000001049
 Unscaled step for mode   27=        0.0000000484
 Unscaled step for mode   28=       -0.0000000283
 Unscaled step for mode   29=        0.0000001053
 Unscaled step for mode   30=        0.0000000815
 Unscaled step for mode   31=        0.0000000923
 Unscaled step for mode   32=        0.0000000552
 Unscaled step for mode   33=       -0.0000000534
 Unscaled step for mode   34=        0.0000000759
 Unscaled step for mode   35=       -0.0000001023
 Unscaled step for mode   36=       -0.0000001151
 Unscaled step for mode   37=       -0.0000000699
 Unscaled step for mode   38=       -0.0000000279
 Unscaled step for mode   39=        0.0000000878
 Unscaled step for mode   40=        0.0000001593
 Unscaled step for mode   41=        0.0000002168
 Unscaled step for mode   42=        0.0000001201
 Unscaled step for mode   43=        0.0000000847
 Unscaled step for mode   44=        0.0000002362
 Unscaled step for mode   45=       -0.0000000584
 Unscaled step for mode   46=       -0.0000001881
 Unscaled step for mode   47=        0.0000001284
 Unscaled step for mode   48=       -0.0000000179
 Unscaled step for mode   49=       -0.0000001737
 Unscaled step for mode   50=        0.0000000038
 Unscaled step for mode   51=        0.0000000942
 Unscaled step for mode   52=       -0.0000000480
 Unscaled step for mode   53=       -0.0000000843
 Unscaled step for mode   54=        0.0000001557
 Unscaled step for mode   55=       -0.0000001602
 Unscaled step for mode   56=        0.0000000713
 Unscaled step for mode   57=       -0.0000001056
 Unscaled step for mode   58=        0.0000001911
 Unscaled step for mode   59=       -0.0000000669
 Unscaled step for mode   60=       -0.0000001663
 Unscaled step for mode   61=       -0.0000002334
 Unscaled step for mode   62=       -0.0000001639
 Unscaled step for mode   63=       -0.0000000444
 Unscaled step for mode   64=       -0.0000003417
 Unscaled step for mode   65=        0.0000001396
 Unscaled step for mode   66=       -0.0000000388
 Unscaled step for mode   67=        0.0000002032
 Unscaled step for mode   68=        0.0000000547
 Unscaled step for mode   69=       -0.0000000769
 Unscaled step for mode   70=       -0.0000003350
 Unscaled step for mode   71=        0.0000000666
 Unscaled step for mode   72=       -0.0000008297
 Unscaled step for mode   73=       -0.0000002372
 Unscaled step for mode   74=       -0.0000001732
 Unscaled step for mode   75=        0.0000007915
 Unscaled step for mode   76=        0.0000000521
 Unscaled step for mode   77=       -0.0000005995
 Unscaled step for mode   78=        0.0000001927
 Unscaled step for mode   79=       -0.0000000595
 Unscaled step for mode   80=       -0.0000002135
 Unscaled step for mode   81=       -0.0000004156
 Unscaled step for mode   82=       -0.0000003096
 Unscaled step for mode   83=        0.0000001411
 Unscaled step for mode   84=        0.0000007765
 Unscaled step for mode   85=       -0.0000000865
 Unscaled step for mode   86=        0.0000003104
 Unscaled step for mode   87=       -0.0000007040
 Unscaled step for mode   88=       -0.0000004086
 Unscaled step for mode   89=        0.0000003374
 Unscaled step for mode   90=        0.0000007390
 Unscaled step for mode   91=       -0.0000008863
 Unscaled step for mode   92=       -0.0000011356
 Unscaled step for mode   93=        0.0000007191
 Unscaled step for mode   94=        0.0000010243
 Unscaled step for mode   95=        0.0000000655
 Unscaled step for mode   96=        0.0000003083
 Unscaled step for mode   97=        0.0000005881
 Unscaled step for mode   98=        0.0000013648
 Unscaled step for mode   99=       -0.0000026421
 Unscaled step for mode  100=       -0.0000018938
 Unscaled step for mode  101=       -0.0000002922
 Unscaled step for mode  102=        0.0000038682
 Unscaled step for mode  103=       -0.0000019672
 Unscaled step for mode  104=        0.0000059031
 Unscaled step for mode  105=       -0.0000028652
 Unscaled step for mode  106=       -0.0000016700
 Unscaled step for mode  107=       -0.0000040550
 Unscaled step for mode  108=       -0.0000030594
 Unscaled step for mode  109=       -0.0000058871
 Unscaled step for mode  110=        0.0012356150
 Unscaled step for mode  111=        0.0000072148
 Unscaled step for mode  112=       -0.0028842515
 Unscaled step for mode  113=       -0.0084211215
 Unscaled step for mode  114=       -0.2429893468
 Largest modulus ratio of non-zero e/values=           218.5726597    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.118829E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.244780E-14    0.100673E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.648474E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.773904E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.414465E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.100790E-15    0.974154E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.930306E-05    0.743390E+03  0.125144E-07 0.100000E-04    0.995659E+00
   8   -0.917319E-05    0.674587E+03  0.135982E-07 0.100000E-04    0.983861E+00
   9   -0.599237E-05    0.629237E+03  0.952324E-08 0.100000E-04    0.941631E+00
  10    0.325459E-05    0.601880E+03 -0.540738E-08 0.100000E-04    0.992559E+00
  11   -0.239967E-05    0.586879E+03  0.408887E-08 0.100000E-04    0.974677E+00
  12   -0.123481E-04    0.577704E+03  0.213744E-07 0.100000E-04    0.962876E+00
  13   -0.337870E-05    0.566533E+03  0.596381E-08 0.100000E-04    0.989580E+00
  14    0.685355E-05    0.486893E+03 -0.140761E-07 0.100000E-04    0.969126E+00
  15    0.197842E-05    0.461561E+03 -0.428637E-08 0.100000E-04    0.928230E+00
  16    0.618424E-05    0.460301E+03 -0.134352E-07 0.100000E-04    0.974210E+00
  17    0.140790E-05    0.441806E+03 -0.318669E-08 0.100000E-04    0.818606E+00
  18    0.274190E-05    0.428823E+03 -0.639402E-08 0.100000E-04    0.928265E+00
  19   -0.203761E-04    0.422086E+03  0.482748E-07 0.100000E-04    0.995653E+00
  20    0.163125E-05    0.408528E+03 -0.399301E-08 0.100000E-04    0.879599E+00
  21    0.196032E-05    0.396643E+03 -0.494228E-08 0.100000E-04    0.893792E+00
  22   -0.144003E-04    0.388107E+03  0.371041E-07 0.100000E-04    0.987027E+00
  23    0.495178E-05    0.369494E+03 -0.134015E-07 0.100000E-04    0.923148E+00
  24   -0.905470E-05    0.360605E+03  0.251097E-07 0.100000E-04    0.980110E+00
  25   -0.243477E-04    0.349659E+03  0.696327E-07 0.100000E-04    0.994679E+00
  26   -0.351437E-04    0.335012E+03  0.104903E-06 0.100000E-04    0.993673E+00
  27   -0.159019E-04    0.328461E+03  0.484134E-07 0.100000E-04    0.983662E+00
  28    0.910595E-05    0.321862E+03 -0.282914E-07 0.100000E-04    0.974334E+00
  29   -0.336097E-04    0.319089E+03  0.105330E-06 0.100000E-04    0.995215E+00
  30   -0.252845E-04    0.310082E+03  0.815415E-07 0.100000E-04    0.986052E+00
  31   -0.278187E-04    0.301462E+03  0.922793E-07 0.100000E-04    0.989765E+00
  32   -0.160045E-04    0.290168E+03  0.551560E-07 0.100000E-04    0.973207E+00
  33    0.148537E-04    0.278371E+03 -0.533594E-07 0.100000E-04    0.993224E+00
  34   -0.206457E-04    0.272174E+03  0.758548E-07 0.100000E-04    0.998273E+00
  35    0.274191E-04    0.268092E+03 -0.102275E-06 0.100000E-04    0.991423E+00
  36    0.304683E-04    0.264774E+03 -0.115073E-06 0.100000E-04    0.985129E+00
  37    0.183694E-04    0.262741E+03 -0.699145E-07 0.100000E-04    0.984021E+00
  38    0.706117E-05    0.253527E+03 -0.278518E-07 0.100000E-04    0.992897E+00
  39   -0.211992E-04    0.241561E+03  0.877593E-07 0.100000E-04    0.992862E+00
  40   -0.382738E-04    0.240206E+03  0.159338E-06 0.100000E-04    0.988761E+00
  41   -0.506675E-04    0.233742E+03  0.216767E-06 0.100000E-04    0.997924E+00
  42   -0.273197E-04    0.227541E+03  0.120065E-06 0.100000E-04    0.978716E+00
  43   -0.183962E-04    0.217214E+03  0.846913E-07 0.100000E-04    0.995339E+00
  44   -0.507427E-04    0.214785E+03  0.236249E-06 0.100000E-04    0.987246E+00
  45    0.124587E-04    0.213245E+03 -0.584244E-07 0.100000E-04    0.977068E+00
  46    0.390026E-04    0.207360E+03 -0.188091E-06 0.100000E-04    0.994663E+00
  47   -0.261018E-04    0.203279E+03  0.128404E-06 0.100000E-04    0.995135E+00
  48    0.350851E-05    0.196049E+03 -0.178960E-07 0.100000E-04    0.888743E+00
  49    0.338331E-04    0.194755E+03 -0.173721E-06 0.100000E-04    0.995584E+00
  50   -0.726489E-06    0.191293E+03  0.379778E-08 0.100000E-04    0.506132E+00
  51   -0.172324E-04    0.182919E+03  0.942075E-07 0.100000E-04    0.989281E+00
  52    0.834930E-05    0.174055E+03 -0.479693E-07 0.100000E-04    0.976459E+00
  53    0.145196E-04    0.172324E+03 -0.842580E-07 0.100000E-04    0.991417E+00
  54   -0.261546E-04    0.167970E+03  0.155710E-06 0.100000E-04    0.998157E+00
  55    0.262277E-04    0.163668E+03 -0.160249E-06 0.100000E-04    0.992335E+00
  56   -0.112170E-04    0.157278E+03  0.713197E-07 0.100000E-04    0.955602E+00
  57    0.163320E-04    0.154667E+03 -0.105595E-06 0.100000E-04    0.985280E+00
  58   -0.290762E-04    0.152172E+03  0.191074E-06 0.100000E-04    0.995099E+00
  59    0.985114E-05    0.147179E+03 -0.669331E-07 0.100000E-04    0.978025E+00
  60    0.238708E-04    0.143516E+03 -0.166328E-06 0.100000E-04    0.989948E+00
  61    0.321449E-04    0.137749E+03 -0.233358E-06 0.100000E-04    0.979358E+00
  62    0.222750E-04    0.135905E+03 -0.163901E-06 0.100000E-04    0.994264E+00
  63    0.579743E-05    0.130451E+03 -0.444414E-07 0.100000E-04    0.860953E+00
  64    0.439679E-04    0.128677E+03 -0.341691E-06 0.100000E-04    0.996431E+00
  65   -0.176875E-04    0.126721E+03  0.139578E-06 0.100000E-04    0.958513E+00
  66    0.483701E-05    0.124699E+03 -0.387895E-07 0.100000E-04    0.942679E+00
  67   -0.243701E-04    0.119949E+03  0.203170E-06 0.100000E-04    0.971102E+00
  68   -0.645743E-05    0.118156E+03  0.546516E-07 0.100000E-04    0.967033E+00
  69    0.900690E-05    0.117078E+03 -0.769310E-07 0.100000E-04    0.988976E+00
  70    0.369688E-04    0.110361E+03 -0.334980E-06 0.100000E-04    0.989948E+00
  71   -0.712824E-05    0.107046E+03  0.665902E-07 0.100000E-04    0.981643E+00
  72    0.866326E-04    0.104410E+03 -0.829733E-06 0.100000E-04    0.998823E+00
  73    0.244072E-04    0.102919E+03 -0.237151E-06 0.100000E-04    0.984422E+00
  74    0.172539E-04    0.996291E+02 -0.173181E-06 0.100000E-04    0.985939E+00
  75   -0.760015E-04    0.960175E+02  0.791538E-06 0.100000E-04    0.991953E+00
  76   -0.490921E-05    0.941808E+02  0.521254E-07 0.100000E-04    0.890177E+00
  77    0.555123E-04    0.925903E+02 -0.599548E-06 0.100000E-04    0.994120E+00
  78   -0.175458E-04    0.910367E+02  0.192734E-06 0.100000E-04    0.979996E+00
  79    0.528385E-05    0.887935E+02 -0.595071E-07 0.100000E-04    0.988948E+00
  80    0.182410E-04    0.854281E+02 -0.213525E-06 0.100000E-04    0.996586E+00
  81    0.335994E-04    0.808372E+02 -0.415643E-06 0.100000E-04    0.990879E+00
  82    0.248228E-04    0.801867E+02 -0.309563E-06 0.100000E-04    0.982780E+00
  83   -0.110167E-04    0.780850E+02  0.141087E-06 0.100000E-04    0.974577E+00
  84   -0.568971E-04    0.732776E+02  0.776459E-06 0.100000E-04    0.987662E+00
  85    0.629649E-05    0.727528E+02 -0.865464E-07 0.100000E-04    0.851226E+00
  86   -0.211439E-04    0.681160E+02  0.310410E-06 0.100000E-04    0.980520E+00
  87    0.458297E-04    0.650966E+02 -0.704025E-06 0.100000E-04    0.986971E+00
  88    0.252917E-04    0.618938E+02 -0.408630E-06 0.100000E-04    0.971197E+00
  89   -0.202339E-04    0.599638E+02  0.337435E-06 0.100000E-04    0.947865E+00
  90   -0.438884E-04    0.593891E+02  0.738997E-06 0.100000E-04    0.999300E+00
  91    0.518023E-04    0.584497E+02 -0.886272E-06 0.100000E-04    0.971840E+00
  92    0.635793E-04    0.559895E+02 -0.113556E-05 0.100000E-04    0.990832E+00
  93   -0.377726E-04    0.525304E+02  0.719061E-06 0.100000E-04    0.967974E+00
  94   -0.534974E-04    0.522278E+02  0.102431E-05 0.100000E-04    0.996786E+00
  95   -0.327990E-05    0.500390E+02  0.655468E-07 0.100000E-04    0.660956E+00
  96   -0.143621E-04    0.465829E+02  0.308313E-06 0.100000E-04    0.970780E+00
  97   -0.253407E-04    0.430907E+02  0.588078E-06 0.100000E-04    0.930095E+00
  98   -0.556872E-04    0.408035E+02  0.136477E-05 0.100000E-04    0.988624E+00
  99    0.100130E-03    0.378973E+02 -0.264213E-05 0.100000E-04    0.982834E+00
 100    0.690128E-04    0.364417E+02 -0.189379E-05 0.100000E-04    0.983772E+00
 101    0.957308E-05    0.327593E+02 -0.292225E-06 0.100000E-04    0.312535E+00
 102   -0.111396E-03    0.287979E+02  0.386820E-05 0.100000E-04    0.993189E+00
 103    0.560004E-04    0.284675E+02 -0.196717E-05 0.100000E-04    0.989278E+00
 104   -0.155805E-03    0.263937E+02  0.590313E-05 0.100000E-04    0.997476E+00
 105    0.666804E-04    0.232725E+02 -0.286520E-05 0.100000E-04    0.967519E+00
 106    0.354195E-04    0.212097E+02 -0.166996E-05 0.100000E-04    0.912344E+00
 107    0.815272E-04    0.201051E+02 -0.405504E-05 0.100000E-04    0.914526E+00
 108    0.508054E-04    0.166061E+02 -0.305943E-05 0.100000E-04    0.825714E+00
 109    0.816696E-04    0.138726E+02 -0.588710E-05 0.100000E-04    0.973917E+00
 110   -0.151228E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.884039E+00
 111   -0.727317E-04    0.100808E+02  0.721485E-05 0.100000E-04    0.975441E+00
 112    0.246340E-01    0.854079E+01 -0.317217E-04 0.317217E-04    0.152441E+00
 113    0.499025E-01    0.592546E+01 -0.115570E-03 0.115570E-03    0.190078E+00
 114   -0.878292E+00    0.340111E+01 -0.400000E-03 0.400000E-03    0.574430E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2429893468    

 Beginning of optimization cycle  480.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3104125999
 potential> RMS force:                                               0.0825591818   |gradient|=.8814908442    
 Eigenvalues of the Hessian matrix:
   743.46824    674.58799    629.26302    601.85484    586.86949    577.74299 
   566.51390    486.91766    461.53740    460.29105    441.80787    428.82402 
   422.08491    408.52301    396.63728    388.09576    369.50819    360.60028 
   349.65014    335.01532    328.48173    321.86603    319.07754    310.06932 
   301.44197    290.17972    278.37507    272.18836    268.10086    264.77540 
   262.76941    253.51839    241.55606    240.22024    233.74129    227.53399 
   217.20021    214.79007    213.24860    207.36571    203.27348    196.03573 
   194.75345    191.29283    182.91335    174.05614    172.32282    167.97537 
   163.65724    157.26631    154.67177    152.17685    147.16696    143.51558 
   137.75581    135.90398    130.44929    128.68103    126.72560    124.68852 
   119.95020    118.15666    117.07533    110.35896    107.04207    104.40919 
   102.91599     99.62755     96.02196     94.18245     92.57197     91.04020 
    88.78532     85.43146     80.83641     80.19141     78.08261     73.28132 
    72.75298     68.11353     65.08921     61.87926     59.96277     59.38957 
    58.44105     55.98784     52.52950     52.22506     50.04075     46.57390 
    43.09529     40.80656     37.89853     36.44074     32.74612     28.79880 
    28.46656     26.38793     23.27402     21.21376     20.09679     16.60315 
    13.87333     12.23905     10.08154      8.54482      5.91783      3.39521 
overlap for current and previous eigenvector    109 is         0.9999996687
overlap for current and previous eigenvector    110 is         0.9999997924
overlap for current and previous eigenvector    111 is         0.9999995916
overlap for current and previous eigenvector    112 is         0.9999994309
overlap for current and previous eigenvector    113 is         0.9999983042
overlap for current and previous eigenvector    114 is         0.9999987456
J1,K1,R1,R2,RAT=   7   7   -0.4505697176E-02     2.004295239        0.9954943028    
FOB,PFOB,DIAG,PSTEP=   -0.9344985510E-05   -0.9303064309E-05     743.4682422        0.1251437901E-07
J1,K1,R1,R2,RAT=   8   8   -0.1708220757E-01     2.017080588        0.9829177924    
FOB,PFOB,DIAG,PSTEP=   -0.9329884049E-05   -0.9173185661E-05     674.5879944        0.1359821575E-07
J1,K1,R1,R2,RAT=   9   9   -0.6012080613E-01     2.060038154        0.9398791939    
FOB,PFOB,DIAG,PSTEP=   -0.6352653479E-05   -0.5992372335E-05     629.2630243        0.9523235522E-08
J1,K1,R1,R2,RAT=  10  10    0.7643188544E-02     1.992441303        0.9923568115    
FOB,PFOB,DIAG,PSTEP=    0.3229719119E-05    0.3254593540E-05     601.8548361       -0.5407377091E-08
J1,K1,R1,R2,RAT=  11  11    0.2645466415E-01     1.973577047        0.9735453359    
FOB,PFOB,DIAG,PSTEP=   -0.2336189205E-05   -0.2399670680E-05     586.8694900        0.4088869286E-08
J1,K1,R1,R2,RAT= 109 109   -0.2782078701E-01     2.027719702        0.9721792130    
FOB,PFOB,DIAG,PSTEP=    0.8394183457E-04    0.8166960698E-04     13.87333055       -0.5887103653E-05
J1,K1,R1,R2,RAT= 110 110   -0.6672102855E-01     247.1902002        0.9332789715    
FOB,PFOB,DIAG,PSTEP=   -0.1513095243E-01   -0.1512278641E-01     12.23905268        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2330747636E-01     2.023168467        0.9766925236    
FOB,PFOB,DIAG,PSTEP=   -0.7442699586E-04   -0.7273168598E-04     10.08153766        0.7214845985E-05
J1,K1,R1,R2,RAT= 112 112   -0.7816220179         182.5449281        0.2183779821    
FOB,PFOB,DIAG,PSTEP=    0.2484586902E-01    0.2463400578E-01     8.544818046       -0.3172166701E-04
J1,K1,R1,R2,RAT= 113 113   -0.8016156050         146.7312368        0.1983843950    
FOB,PFOB,DIAG,PSTEP=    0.5045077731E-01    0.4990253155E-01     5.917831658       -0.1155703721E-03
J1,K1,R1,R2,RAT= 114 114    0.9375849152        -1294.364953        0.6241508482E-01
FOB,PFOB,DIAG,PSTEP=   -0.8795648966       -0.8782915774         3.395210274       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001      0.00002     -0.00003     -0.00001     -0.00002 
    -0.00003      0.00002      0.00000      0.00004     -0.00002      0.00000 
    -0.00003     -0.00001      0.00001     -0.00004     -0.00001      0.00009 
     0.00002      0.00002     -0.00008     -0.00000     -0.00006      0.00002 
     0.00001      0.00002      0.00003      0.00003     -0.00001     -0.00006 
     0.00001      0.00002      0.00005      0.00003     -0.00002     -0.00004 
     0.00005      0.00006     -0.00004     -0.00005     -0.00000     -0.00001 
     0.00002      0.00006     -0.00010     -0.00007     -0.00001      0.00011 
    -0.00006     -0.00016      0.00006      0.00003      0.00009      0.00006 
     0.00008     -0.01513     -0.00007      0.02485      0.05045     -0.87956 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3926108005
 Log product of positive Hessian eigenvalues =          519.1787314904
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3952102736
 Unscaled step for mode    7=        0.0000000126
 Unscaled step for mode    8=        0.0000000138
 Unscaled step for mode    9=        0.0000000101
 Unscaled step for mode   10=       -0.0000000054
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000222
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=       -0.0000000145
 Unscaled step for mode   15=       -0.0000000039
 Unscaled step for mode   16=       -0.0000000130
 Unscaled step for mode   17=       -0.0000000024
 Unscaled step for mode   18=       -0.0000000058
 Unscaled step for mode   19=        0.0000000480
 Unscaled step for mode   20=       -0.0000000034
 Unscaled step for mode   21=       -0.0000000043
 Unscaled step for mode   22=        0.0000000376
 Unscaled step for mode   23=       -0.0000000144
 Unscaled step for mode   24=        0.0000000256
 Unscaled step for mode   25=        0.0000000692
 Unscaled step for mode   26=        0.0000001042
 Unscaled step for mode   27=        0.0000000476
 Unscaled step for mode   28=       -0.0000000275
 Unscaled step for mode   29=        0.0000001047
 Unscaled step for mode   30=        0.0000000828
 Unscaled step for mode   31=        0.0000000933
 Unscaled step for mode   32=        0.0000000568
 Unscaled step for mode   33=       -0.0000000529
 Unscaled step for mode   34=        0.0000000757
 Unscaled step for mode   35=       -0.0000001032
 Unscaled step for mode   36=       -0.0000001170
 Unscaled step for mode   37=       -0.0000000687
 Unscaled step for mode   38=       -0.0000000280
 Unscaled step for mode   39=        0.0000000871
 Unscaled step for mode   40=        0.0000001612
 Unscaled step for mode   41=        0.0000002173
 Unscaled step for mode   42=        0.0000001228
 Unscaled step for mode   43=        0.0000000843
 Unscaled step for mode   44=        0.0000002394
 Unscaled step for mode   45=       -0.0000000597
 Unscaled step for mode   46=       -0.0000001892
 Unscaled step for mode   47=        0.0000001291
 Unscaled step for mode   48=       -0.0000000153
 Unscaled step for mode   49=       -0.0000001745
 Unscaled step for mode   50=       -0.0000000002
 Unscaled step for mode   51=        0.0000000931
 Unscaled step for mode   52=       -0.0000000466
 Unscaled step for mode   53=       -0.0000000834
 Unscaled step for mode   54=        0.0000001554
 Unscaled step for mode   55=       -0.0000001615
 Unscaled step for mode   56=        0.0000000747
 Unscaled step for mode   57=       -0.0000001039
 Unscaled step for mode   58=        0.0000001920
 Unscaled step for mode   59=        0.0000000685
 Unscaled step for mode   60=        0.0000001645
 Unscaled step for mode   61=        0.0000002279
 Unscaled step for mode   62=       -0.0000001649
 Unscaled step for mode   63=       -0.0000000366
 Unscaled step for mode   64=       -0.0000003402
 Unscaled step for mode   65=        0.0000001329
 Unscaled step for mode   66=       -0.0000000361
 Unscaled step for mode   67=        0.0000002094
 Unscaled step for mode   68=        0.0000000526
 Unscaled step for mode   69=       -0.0000000760
 Unscaled step for mode   70=        0.0000003385
 Unscaled step for mode   71=        0.0000000679
 Unscaled step for mode   72=       -0.0000008284
 Unscaled step for mode   73=       -0.0000002333
 Unscaled step for mode   74=       -0.0000001707
 Unscaled step for mode   75=        0.0000007847
 Unscaled step for mode   76=        0.0000000456
 Unscaled step for mode   77=        0.0000006035
 Unscaled step for mode   78=       -0.0000001884
 Unscaled step for mode   79=       -0.0000000604
 Unscaled step for mode   80=       -0.0000002128
 Unscaled step for mode   81=       -0.0000004197
 Unscaled step for mode   82=       -0.0000003152
 Unscaled step for mode   83=        0.0000001372
 Unscaled step for mode   84=        0.0000007660
 Unscaled step for mode   85=       -0.0000000702
 Unscaled step for mode   86=       -0.0000003037
 Unscaled step for mode   87=       -0.0000006933
 Unscaled step for mode   88=       -0.0000004211
 Unscaled step for mode   89=        0.0000003556
 Unscaled step for mode   90=        0.0000007402
 Unscaled step for mode   91=       -0.0000008577
 Unscaled step for mode   92=       -0.0000011471
 Unscaled step for mode   93=        0.0000007432
 Unscaled step for mode   94=        0.0000010204
 Unscaled step for mode   95=        0.0000000840
 Unscaled step for mode   96=        0.0000002981
 Unscaled step for mode   97=       -0.0000005400
 Unscaled step for mode   98=       -0.0000013481
 Unscaled step for mode   99=        0.0000025918
 Unscaled step for mode  100=        0.0000018606
 Unscaled step for mode  101=        0.0000004247
 Unscaled step for mode  102=       -0.0000038387
 Unscaled step for mode  103=        0.0000019917
 Unscaled step for mode  104=        0.0000059177
 Unscaled step for mode  105=       -0.0000027599
 Unscaled step for mode  106=       -0.0000015014
 Unscaled step for mode  107=       -0.0000044134
 Unscaled step for mode  108=       -0.0000035673
 Unscaled step for mode  109=       -0.0000060506
 Unscaled step for mode  110=        0.0012362827
 Unscaled step for mode  111=        0.0000073825
 Unscaled step for mode  112=       -0.0029076873
 Unscaled step for mode  113=       -0.0085245938
 Unscaled step for mode  114=       -0.2436777887
 Largest modulus ratio of non-zero e/values=           218.9756104    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.195373E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.191676E-14    0.100672E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.351680E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.281676E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.451950E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.471032E-15    0.974156E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.934499E-05    0.743468E+03  0.125694E-07 0.100000E-04    0.995494E+00
   8   -0.932988E-05    0.674588E+03  0.138305E-07 0.100000E-04    0.982918E+00
   9   -0.635265E-05    0.629263E+03  0.100954E-07 0.100000E-04    0.939879E+00
  10    0.322972E-05    0.601855E+03 -0.536628E-08 0.100000E-04    0.992357E+00
  11   -0.233619E-05    0.586869E+03  0.398076E-08 0.100000E-04    0.973545E+00
  12   -0.128342E-04    0.577743E+03  0.222143E-07 0.100000E-04    0.960638E+00
  13   -0.334333E-05    0.566514E+03  0.590158E-08 0.100000E-04    0.989531E+00
  14    0.707966E-05    0.486918E+03 -0.145397E-07 0.100000E-04    0.967011E+00
  15    0.180279E-05    0.461537E+03 -0.390605E-08 0.100000E-04    0.911220E+00
  16    0.599857E-05    0.460291E+03 -0.130321E-07 0.100000E-04    0.969976E+00
  17    0.107247E-05    0.441808E+03 -0.242746E-08 0.100000E-04    0.761745E+00
  18    0.250853E-05    0.428824E+03 -0.584979E-08 0.100000E-04    0.914884E+00
  19   -0.202699E-04    0.422085E+03  0.480232E-07 0.100000E-04    0.994786E+00
  20    0.139515E-05    0.408523E+03 -0.341512E-08 0.100000E-04    0.855263E+00
  21    0.171179E-05    0.396637E+03 -0.431574E-08 0.100000E-04    0.873216E+00
  22   -0.146006E-04    0.388096E+03  0.376212E-07 0.100000E-04    0.986090E+00
  23    0.533732E-05    0.369508E+03 -0.144444E-07 0.100000E-04    0.922144E+00
  24   -0.923091E-05    0.360600E+03  0.255987E-07 0.100000E-04    0.980539E+00
  25   -0.241983E-04    0.349650E+03  0.692072E-07 0.100000E-04    0.993864E+00
  26   -0.348953E-04    0.335015E+03  0.104160E-06 0.100000E-04    0.992913E+00
  27   -0.156199E-04    0.328482E+03  0.475519E-07 0.100000E-04    0.982141E+00
  28    0.883966E-05    0.321866E+03 -0.274638E-07 0.100000E-04    0.970734E+00
  29   -0.334089E-04    0.319078E+03  0.104705E-06 0.100000E-04    0.994027E+00
  30   -0.256831E-04    0.310069E+03  0.828301E-07 0.100000E-04    0.984238E+00
  31   -0.281249E-04    0.301442E+03  0.933012E-07 0.100000E-04    0.988993E+00
  32   -0.164698E-04    0.290180E+03  0.567574E-07 0.100000E-04    0.970927E+00
  33    0.147288E-04    0.278375E+03 -0.529099E-07 0.100000E-04    0.991561E+00
  34   -0.205946E-04    0.272188E+03  0.756632E-07 0.100000E-04    0.997423E+00
  35    0.276748E-04    0.268101E+03 -0.103226E-06 0.100000E-04    0.990671E+00
  36    0.309725E-04    0.264775E+03 -0.116976E-06 0.100000E-04    0.983454E+00
  37    0.180414E-04    0.262769E+03 -0.686586E-07 0.100000E-04    0.981927E+00
  38    0.710539E-05    0.253518E+03 -0.280271E-07 0.100000E-04    0.993736E+00
  39   -0.210387E-04    0.241556E+03  0.870964E-07 0.100000E-04    0.992428E+00
  40   -0.387133E-04    0.240220E+03  0.161157E-06 0.100000E-04    0.988519E+00
  41   -0.507812E-04    0.233741E+03  0.217254E-06 0.100000E-04    0.997757E+00
  42   -0.279425E-04    0.227534E+03  0.122806E-06 0.100000E-04    0.977204E+00
  43   -0.183126E-04    0.217200E+03  0.843121E-07 0.100000E-04    0.995458E+00
  44   -0.514241E-04    0.214790E+03  0.239416E-06 0.100000E-04    0.986572E+00
  45    0.127387E-04    0.213249E+03 -0.597362E-07 0.100000E-04    0.977528E+00
  46    0.392286E-04    0.207366E+03 -0.189176E-06 0.100000E-04    0.994205E+00
  47   -0.262465E-04    0.203273E+03  0.129119E-06 0.100000E-04    0.994454E+00
  48    0.300854E-05    0.196036E+03 -0.153469E-07 0.100000E-04    0.857490E+00
  49    0.339890E-04    0.194753E+03 -0.174523E-06 0.100000E-04    0.995393E+00
  50    0.460062E-07    0.191293E+03 -0.240501E-09 0.109000E-04    0.633251E-01
  51   -0.170249E-04    0.182913E+03  0.930766E-07 0.100000E-04    0.987963E+00
  52    0.811302E-05    0.174056E+03 -0.466115E-07 0.100000E-04    0.971689E+00
  53    0.143747E-04    0.172323E+03 -0.834170E-07 0.100000E-04    0.990014E+00
  54   -0.261038E-04    0.167975E+03  0.155403E-06 0.100000E-04    0.997998E+00
  55    0.264359E-04    0.163657E+03 -0.161532E-06 0.100000E-04    0.992060E+00
  56   -0.117434E-04    0.157266E+03  0.746722E-07 0.100000E-04    0.953071E+00
  57    0.160731E-04    0.154672E+03 -0.103917E-06 0.100000E-04    0.984086E+00
  58   -0.292218E-04    0.152177E+03  0.192025E-06 0.100000E-04    0.994993E+00
  59   -0.100774E-04    0.147167E+03  0.684758E-07 0.100000E-04    0.977033E+00
  60   -0.236021E-04    0.143516E+03  0.164456E-06 0.100000E-04    0.988742E+00
  61   -0.313983E-04    0.137756E+03  0.227927E-06 0.100000E-04    0.976679E+00
  62    0.224093E-04    0.135904E+03 -0.164891E-06 0.100000E-04    0.993968E+00
  63    0.477334E-05    0.130449E+03 -0.365916E-07 0.100000E-04    0.823351E+00
  64    0.437811E-04    0.128681E+03 -0.340229E-06 0.100000E-04    0.995696E+00
  65   -0.168437E-04    0.126726E+03  0.132914E-06 0.100000E-04    0.952217E+00
  66    0.450167E-05    0.124689E+03 -0.361033E-07 0.100000E-04    0.930665E+00
  67   -0.251165E-04    0.119950E+03  0.209391E-06 0.100000E-04    0.969372E+00
  68   -0.621518E-05    0.118157E+03  0.526012E-07 0.100000E-04    0.962479E+00
  69    0.889764E-05    0.117075E+03 -0.759993E-07 0.100000E-04    0.987870E+00
  70   -0.373587E-04    0.110359E+03  0.338520E-06 0.100000E-04    0.989454E+00
  71   -0.727214E-05    0.107042E+03  0.679372E-07 0.100000E-04    0.979812E+00
  72    0.864976E-04    0.104409E+03 -0.828448E-06 0.100000E-04    0.998441E+00
  73    0.240106E-04    0.102916E+03 -0.233302E-06 0.100000E-04    0.983746E+00
  74    0.170038E-04    0.996275E+02 -0.170673E-06 0.100000E-04    0.985504E+00
  75   -0.753515E-04    0.960220E+02  0.784732E-06 0.100000E-04    0.991354E+00
  76   -0.429715E-05    0.941824E+02  0.456258E-07 0.100000E-04    0.875290E+00
  77   -0.558667E-04    0.925720E+02  0.603495E-06 0.100000E-04    0.993614E+00
  78    0.171520E-04    0.910402E+02 -0.188400E-06 0.100000E-04    0.977477E+00
  79    0.535902E-05    0.887853E+02 -0.603593E-07 0.100000E-04    0.985771E+00
  80    0.181764E-04    0.854315E+02 -0.212760E-06 0.100000E-04    0.996378E+00
  81    0.339309E-04    0.808364E+02 -0.419748E-06 0.100000E-04    0.990134E+00
  82    0.252744E-04    0.801914E+02 -0.315175E-06 0.100000E-04    0.981811E+00
  83   -0.107124E-04    0.780826E+02  0.137193E-06 0.100000E-04    0.972375E+00
  84   -0.561325E-04    0.732813E+02  0.765986E-06 0.100000E-04    0.986462E+00
  85    0.510966E-05    0.727530E+02 -0.702330E-07 0.100000E-04    0.811505E+00
  86    0.206831E-04    0.681135E+02 -0.303657E-06 0.100000E-04    0.978208E+00
  87    0.451289E-04    0.650892E+02 -0.693339E-06 0.100000E-04    0.984707E+00
  88    0.260565E-04    0.618793E+02 -0.421085E-06 0.100000E-04    0.969755E+00
  89   -0.213200E-04    0.599628E+02  0.355554E-06 0.100000E-04    0.946320E+00
  90   -0.439615E-04    0.593896E+02  0.740222E-06 0.100000E-04    0.998334E+00
  91    0.501277E-04    0.584410E+02 -0.857748E-06 0.100000E-04    0.967667E+00
  92    0.642246E-04    0.559878E+02 -0.114712E-05 0.100000E-04    0.989851E+00
  93   -0.390395E-04    0.525295E+02  0.743191E-06 0.100000E-04    0.966460E+00
  94   -0.532915E-04    0.522251E+02  0.102042E-05 0.100000E-04    0.996150E+00
  95   -0.420324E-05    0.500408E+02  0.839963E-07 0.100000E-04    0.718495E+00
  96   -0.138829E-04    0.465739E+02  0.298083E-06 0.100000E-04    0.966626E+00
  97    0.232703E-04    0.430953E+02 -0.539974E-06 0.100000E-04    0.918095E+00
  98    0.550117E-04    0.408066E+02 -0.134811E-05 0.100000E-04    0.987721E+00
  99   -0.982255E-04    0.378985E+02  0.259180E-05 0.100000E-04    0.980917E+00
 100   -0.678009E-04    0.364407E+02  0.186058E-05 0.100000E-04    0.982438E+00
 101   -0.139088E-04    0.327461E+02  0.424747E-06 0.100000E-04    0.546909E+00
 102    0.110550E-03    0.287988E+02 -0.383872E-05 0.100000E-04    0.992348E+00
 103   -0.566964E-04    0.284666E+02  0.199169E-05 0.100000E-04    0.987571E+00
 104   -0.156156E-03    0.263879E+02  0.591772E-05 0.100000E-04    0.997746E+00
 105    0.642343E-04    0.232740E+02 -0.275992E-05 0.100000E-04    0.963187E+00
 106    0.318501E-04    0.212138E+02 -0.150139E-05 0.100000E-04    0.898866E+00
 107    0.886954E-04    0.200968E+02 -0.441341E-05 0.100000E-04    0.912040E+00
 108    0.592276E-04    0.166031E+02 -0.356725E-05 0.100000E-04    0.834196E+00
 109    0.839418E-04    0.138733E+02 -0.605059E-05 0.100000E-04    0.972179E+00
 110   -0.151310E-01    0.122391E+02  0.100000E-04 0.100000E-04    0.933279E+00
 111   -0.744270E-04    0.100815E+02  0.738250E-05 0.100000E-04    0.976693E+00
 112    0.248459E-01    0.854482E+01 -0.285781E-04 0.285781E-04    0.218378E+00
 113    0.504508E-01    0.591783E+01 -0.125972E-03 0.125972E-03    0.198384E+00
 114   -0.879565E+00    0.339521E+01 -0.400000E-03 0.400000E-03    0.624151E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2436777887    

 Beginning of optimization cycle  481.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3100676705
 potential> RMS force:                                               0.0826811587   |gradient|=.8827932016    
 Eigenvalues of the Hessian matrix:
   743.54758    674.58754    629.28971    601.82959    586.85971    577.78246 
   566.49352    486.94140    461.51355    460.28087    441.80954    428.82550 
   422.08367    408.51813    396.63165    388.08455    369.52288    360.59530 
   349.64157    335.01928    328.50312    321.86938    319.06732    310.05648 
   301.42214    290.19154    278.38006    272.20263    268.11054    264.77713 
   262.79893    253.51035    241.55181    240.23487    233.74083    227.52795 
   217.18643    214.79483    213.25233    207.37127    203.26765    196.02184 
   194.75193    191.29252    182.90767    174.05752    172.32197    167.98065 
   163.64600    157.25406    154.67646    152.18129    147.15466    143.51482 
   137.76256    135.90297    130.44700    128.68467    126.73046    124.67771 
   119.95112    118.15694    117.07270    110.35682    107.03763    104.40806 
   102.91337     99.62587     96.02632     94.18385     92.55363     91.04386 
    88.77696     85.43493     80.83560     80.19636     78.08006     73.28478 
    72.75284     68.11069     65.08158     61.86453     59.96159     59.38992 
    58.43213     55.98592     52.52844     52.22215     50.04256     46.56470 
    43.10005     40.80956     37.89958     36.43921     32.73278     28.79968 
    28.46559     26.38228     23.27561     21.21761     20.08848     16.60007 
    13.87403     12.23903     10.08224      8.54919      5.91023      3.38931 
overlap for current and previous eigenvector    109 is         0.9999996386
overlap for current and previous eigenvector    110 is         0.9999997843
overlap for current and previous eigenvector    111 is         0.9999995447
overlap for current and previous eigenvector    112 is         0.9999993462
overlap for current and previous eigenvector    113 is         0.9999980973
overlap for current and previous eigenvector    114 is         0.9999985904
J1,K1,R1,R2,RAT=   7   7   -0.2010927035E-02     2.001797515        0.9979890730    
FOB,PFOB,DIAG,PSTEP=   -0.9363779600E-05   -0.9344985510E-05     743.5475832        0.1256944813E-07
J1,K1,R1,R2,RAT=   8   8   -0.1802131761E-01     2.018022664        0.9819786824    
FOB,PFOB,DIAG,PSTEP=   -0.9498020740E-05   -0.9329884049E-05     674.5875402        0.1383049228E-07
J1,K1,R1,R2,RAT=   9   9   -0.4030686428E-01     2.040222048        0.9596931357    
FOB,PFOB,DIAG,PSTEP=   -0.6608719880E-05   -0.6352653479E-05     629.2897112        0.1009538656E-07
J1,K1,R1,R2,RAT=  10  10    0.4293499875E-01     1.957148906        0.9570650013    
FOB,PFOB,DIAG,PSTEP=    0.3091056950E-05    0.3229719119E-05     601.8295880       -0.5366275927E-08
J1,K1,R1,R2,RAT=  11  11    0.5802977388E-02     1.994230352        0.9941970226    
FOB,PFOB,DIAG,PSTEP=   -0.2322632578E-05   -0.2336189205E-05     586.8597102        0.3980764454E-08
J1,K1,R1,R2,RAT= 109 109   -0.9718365392E-03     2.000871607        0.9990281635    
FOB,PFOB,DIAG,PSTEP=    0.8402341640E-04    0.8394183457E-04     13.87402585       -0.6050589961E-05
J1,K1,R1,R2,RAT= 110 110   -0.4580033339E-03     247.2577971        0.9995419967    
FOB,PFOB,DIAG,PSTEP=   -0.1513100848E-01   -0.1513095243E-01     12.23903200        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1373977354E-01     2.013600194        0.9862602265    
FOB,PFOB,DIAG,PSTEP=   -0.7544967731E-04   -0.7442699586E-04     10.08224130        0.7382504371E-05
J1,K1,R1,R2,RAT= 112 112    -1.027717370         204.4160319        0.2771737004E-01
FOB,PFOB,DIAG,PSTEP=    0.2509696045E-01    0.2484586902E-01     8.549193886       -0.2857807839E-04
J1,K1,R1,R2,RAT= 113 113   -0.7755469567         136.3009779        0.2244530433    
FOB,PFOB,DIAG,PSTEP=    0.5102818845E-01    0.5045077731E-01     5.910225500       -0.1259717056E-03
J1,K1,R1,R2,RAT= 114 114    0.9329512823        -1298.490628        0.6704871770E-01
FOB,PFOB,DIAG,PSTEP=   -0.8808297208       -0.8795648966         3.389309441       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001      0.00002     -0.00003     -0.00001     -0.00002 
    -0.00003      0.00002      0.00000      0.00004     -0.00002      0.00000 
    -0.00003     -0.00001      0.00001     -0.00004      0.00001      0.00009 
    -0.00002      0.00002     -0.00007     -0.00000     -0.00006      0.00002 
     0.00001      0.00002      0.00003      0.00003     -0.00001      0.00006 
    -0.00000      0.00002      0.00004      0.00003     -0.00002     -0.00004 
     0.00005      0.00007     -0.00004      0.00005      0.00001     -0.00001 
     0.00002      0.00005     -0.00010     -0.00007     -0.00002      0.00011 
    -0.00006     -0.00015      0.00006      0.00003      0.00010      0.00007 
     0.00008     -0.01513     -0.00008      0.02510      0.05103     -0.88083 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3923401470
 Log product of positive Hessian eigenvalues =          519.1744522458
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3893094411
 Unscaled step for mode    7=        0.0000000126
 Unscaled step for mode    8=        0.0000000141
 Unscaled step for mode    9=        0.0000000105
 Unscaled step for mode   10=       -0.0000000051
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000229
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000150
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000126
 Unscaled step for mode   17=       -0.0000000017
 Unscaled step for mode   18=       -0.0000000056
 Unscaled step for mode   19=        0.0000000477
 Unscaled step for mode   20=       -0.0000000031
 Unscaled step for mode   21=       -0.0000000038
 Unscaled step for mode   22=        0.0000000378
 Unscaled step for mode   23=       -0.0000000154
 Unscaled step for mode   24=        0.0000000258
 Unscaled step for mode   25=        0.0000000691
 Unscaled step for mode   26=        0.0000001033
 Unscaled step for mode   27=        0.0000000471
 Unscaled step for mode   28=       -0.0000000267
 Unscaled step for mode   29=        0.0000001037
 Unscaled step for mode   30=        0.0000000844
 Unscaled step for mode   31=        0.0000000947
 Unscaled step for mode   32=        0.0000000577
 Unscaled step for mode   33=       -0.0000000518
 Unscaled step for mode   34=        0.0000000750
 Unscaled step for mode   35=       -0.0000001043
 Unscaled step for mode   36=       -0.0000001185
 Unscaled step for mode   37=       -0.0000000676
 Unscaled step for mode   38=       -0.0000000281
 Unscaled step for mode   39=        0.0000000866
 Unscaled step for mode   40=        0.0000001621
 Unscaled step for mode   41=        0.0000002175
 Unscaled step for mode   42=        0.0000001252
 Unscaled step for mode   43=        0.0000000844
 Unscaled step for mode   44=        0.0000002421
 Unscaled step for mode   45=       -0.0000000606
 Unscaled step for mode   46=       -0.0000001900
 Unscaled step for mode   47=        0.0000001298
 Unscaled step for mode   48=       -0.0000000128
 Unscaled step for mode   49=       -0.0000001762
 Unscaled step for mode   50=       -0.0000000058
 Unscaled step for mode   51=        0.0000000927
 Unscaled step for mode   52=       -0.0000000458
 Unscaled step for mode   53=       -0.0000000828
 Unscaled step for mode   54=        0.0000001564
 Unscaled step for mode   55=       -0.0000001625
 Unscaled step for mode   56=        0.0000000753
 Unscaled step for mode   57=       -0.0000001031
 Unscaled step for mode   58=        0.0000001930
 Unscaled step for mode   59=        0.0000000684
 Unscaled step for mode   60=        0.0000001640
 Unscaled step for mode   61=        0.0000002218
 Unscaled step for mode   62=       -0.0000001653
 Unscaled step for mode   63=       -0.0000000273
 Unscaled step for mode   64=       -0.0000003380
 Unscaled step for mode   65=        0.0000001269
 Unscaled step for mode   66=       -0.0000000323
 Unscaled step for mode   67=        0.0000002146
 Unscaled step for mode   68=        0.0000000514
 Unscaled step for mode   69=       -0.0000000748
 Unscaled step for mode   70=        0.0000003444
 Unscaled step for mode   71=       -0.0000000685
 Unscaled step for mode   72=       -0.0000008239
 Unscaled step for mode   73=        0.0000002303
 Unscaled step for mode   74=       -0.0000001675
 Unscaled step for mode   75=        0.0000007789
 Unscaled step for mode   76=        0.0000000379
 Unscaled step for mode   77=        0.0000006056
 Unscaled step for mode   78=       -0.0000001920
 Unscaled step for mode   79=       -0.0000000599
 Unscaled step for mode   80=       -0.0000002149
 Unscaled step for mode   81=       -0.0000004232
 Unscaled step for mode   82=       -0.0000003224
 Unscaled step for mode   83=        0.0000001425
 Unscaled step for mode   84=       -0.0000007510
 Unscaled step for mode   85=        0.0000000521
 Unscaled step for mode   86=       -0.0000002986
 Unscaled step for mode   87=       -0.0000006820
 Unscaled step for mode   88=       -0.0000004204
 Unscaled step for mode   89=        0.0000003743
 Unscaled step for mode   90=        0.0000007425
 Unscaled step for mode   91=       -0.0000008324
 Unscaled step for mode   92=       -0.0000011689
 Unscaled step for mode   93=        0.0000007632
 Unscaled step for mode   94=       -0.0000010124
 Unscaled step for mode   95=       -0.0000001130
 Unscaled step for mode   96=        0.0000002874
 Unscaled step for mode   97=       -0.0000004883
 Unscaled step for mode   98=       -0.0000013339
 Unscaled step for mode   99=        0.0000025385
 Unscaled step for mode  100=        0.0000018501
 Unscaled step for mode  101=        0.0000005686
 Unscaled step for mode  102=       -0.0000037999
 Unscaled step for mode  103=        0.0000020048
 Unscaled step for mode  104=        0.0000058322
 Unscaled step for mode  105=       -0.0000026936
 Unscaled step for mode  106=       -0.0000014443
 Unscaled step for mode  107=       -0.0000049772
 Unscaled step for mode  108=       -0.0000040970
 Unscaled step for mode  109=       -0.0000060562
 Unscaled step for mode  110=        0.0012362894
 Unscaled step for mode  111=        0.0000074834
 Unscaled step for mode  112=       -0.0029355685
 Unscaled step for mode  113=       -0.0086332383
 Unscaled step for mode  114=       -0.2443657933
 Largest modulus ratio of non-zero e/values=           219.3802591    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.278857E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.171879E-14    0.100672E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.113538E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.469568E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.468279E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.630179E-15    0.974158E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.936378E-05    0.743548E+03  0.125934E-07 0.100000E-04    0.997989E+00
   8   -0.949802E-05    0.674588E+03  0.140797E-07 0.100000E-04    0.981979E+00
   9   -0.660872E-05    0.629290E+03  0.105019E-07 0.100000E-04    0.959693E+00
  10    0.309106E-05    0.601830E+03 -0.513610E-08 0.100000E-04    0.957065E+00
  11   -0.232263E-05    0.586860E+03  0.395773E-08 0.100000E-04    0.994197E+00
  12   -0.132060E-04    0.577782E+03  0.228564E-07 0.100000E-04    0.971029E+00
  13   -0.342447E-05    0.566494E+03  0.604503E-08 0.100000E-04    0.975728E+00
  14    0.729787E-05    0.486941E+03 -0.149872E-07 0.100000E-04    0.969180E+00
  15    0.177519E-05    0.461514E+03 -0.384646E-08 0.100000E-04    0.984693E+00
  16    0.580519E-05    0.460281E+03 -0.126123E-07 0.100000E-04    0.967761E+00
  17    0.764046E-06    0.441810E+03 -0.172936E-08 0.100000E-04    0.712410E+00
  18    0.241247E-05    0.428825E+03 -0.562576E-08 0.100000E-04    0.961700E+00
  19   -0.201498E-04    0.422084E+03  0.477388E-07 0.100000E-04    0.994076E+00
  20    0.125388E-05    0.408518E+03 -0.306933E-08 0.100000E-04    0.898736E+00
  21    0.152452E-05    0.396632E+03 -0.384366E-08 0.100000E-04    0.890599E+00
  22   -0.146662E-04    0.388085E+03  0.377911E-07 0.100000E-04    0.995513E+00
  23    0.567371E-05    0.369523E+03 -0.153542E-07 0.100000E-04    0.936977E+00
  24   -0.930289E-05    0.360595E+03  0.257987E-07 0.100000E-04    0.992202E+00
  25   -0.241667E-04    0.349642E+03  0.691185E-07 0.100000E-04    0.998693E+00
  26   -0.346162E-04    0.335019E+03  0.103326E-06 0.100000E-04    0.991977E+00
  27   -0.154599E-04    0.328503E+03  0.470615E-07 0.100000E-04    0.989623E+00
  28    0.859950E-05    0.321869E+03 -0.267174E-07 0.100000E-04    0.972811E+00
  29   -0.330797E-04    0.319067E+03  0.103676E-06 0.100000E-04    0.990146E+00
  30   -0.261637E-04    0.310056E+03  0.843836E-07 0.100000E-04    0.981285E+00
  31   -0.285562E-04    0.301422E+03  0.947382E-07 0.100000E-04    0.984664E+00
  32   -0.167585E-04    0.290192E+03  0.577498E-07 0.100000E-04    0.982473E+00
  33    0.144227E-04    0.278380E+03 -0.518092E-07 0.100000E-04    0.979180E+00
  34   -0.204046E-04    0.272203E+03  0.749610E-07 0.100000E-04    0.990667E+00
  35    0.279513E-04    0.268111E+03 -0.104253E-06 0.100000E-04    0.990011E+00
  36    0.313680E-04    0.264777E+03 -0.118469E-06 0.100000E-04    0.987230E+00
  37    0.177752E-04    0.262799E+03 -0.676379E-07 0.100000E-04    0.985020E+00
  38    0.712833E-05    0.253510E+03 -0.281185E-07 0.100000E-04    0.996771E+00
  39   -0.209091E-04    0.241552E+03  0.865617E-07 0.100000E-04    0.993843E+00
  40   -0.389432E-04    0.240235E+03  0.162105E-06 0.100000E-04    0.994061E+00
  41   -0.508380E-04    0.233741E+03  0.217498E-06 0.100000E-04    0.998880E+00
  42   -0.284836E-04    0.227528E+03  0.125187E-06 0.100000E-04    0.980632E+00
  43   -0.183333E-04    0.217186E+03  0.844125E-07 0.100000E-04    0.998873E+00
  44   -0.520091E-04    0.214795E+03  0.242134E-06 0.100000E-04    0.988623E+00
  45    0.129127E-04    0.213252E+03 -0.605514E-07 0.100000E-04    0.986337E+00
  46    0.393986E-04    0.207371E+03 -0.189991E-06 0.100000E-04    0.995668E+00
  47   -0.263803E-04    0.203268E+03  0.129781E-06 0.100000E-04    0.994901E+00
  48    0.251543E-05    0.196022E+03 -0.128324E-07 0.100000E-04    0.836085E+00
  49    0.343119E-04    0.194752E+03 -0.176182E-06 0.100000E-04    0.990500E+00
  50    0.110341E-05    0.191293E+03 -0.576817E-08 0.100000E-04    0.219840E+02
  51   -0.169582E-04    0.182908E+03  0.927145E-07 0.100000E-04    0.996079E+00
  52    0.797084E-05    0.174058E+03 -0.457943E-07 0.100000E-04    0.982459E+00
  53    0.142767E-04    0.172322E+03 -0.828490E-07 0.100000E-04    0.993186E+00
  54   -0.262682E-04    0.167981E+03  0.156376E-06 0.100000E-04    0.993706E+00
  55    0.266006E-04    0.163646E+03 -0.162549E-06 0.100000E-04    0.993772E+00
  56   -0.118444E-04    0.157254E+03  0.753203E-07 0.100000E-04    0.991398E+00
  57    0.159531E-04    0.154676E+03 -0.103139E-06 0.100000E-04    0.992477E+00
  58   -0.293769E-04    0.152181E+03  0.193039E-06 0.100000E-04    0.994693E+00
  59   -0.100584E-04    0.147155E+03  0.683529E-07 0.100000E-04    0.998122E+00
  60   -0.235305E-04    0.143515E+03  0.163959E-06 0.100000E-04    0.996967E+00
  61   -0.305560E-04    0.137763E+03  0.221802E-06 0.100000E-04    0.973079E+00
  62    0.224675E-04    0.135903E+03 -0.165320E-06 0.100000E-04    0.997404E+00
  63    0.356736E-05    0.130447E+03 -0.273472E-07 0.100000E-04    0.747347E+00
  64    0.434935E-04    0.128685E+03 -0.337985E-06 0.100000E-04    0.993376E+00
  65   -0.160831E-04    0.126730E+03  0.126908E-06 0.100000E-04    0.954773E+00
  66    0.402706E-05    0.124678E+03 -0.322998E-07 0.100000E-04    0.894562E+00
  67   -0.257430E-04    0.119951E+03  0.214612E-06 0.100000E-04    0.975059E+00
  68   -0.607917E-05    0.118157E+03  0.514500E-07 0.100000E-04    0.978113E+00
  69    0.876135E-05    0.117073E+03 -0.748368E-07 0.100000E-04    0.984682E+00
  70   -0.380080E-04    0.110357E+03  0.344410E-06 0.100000E-04    0.982620E+00
  71    0.733724E-05    0.107038E+03 -0.685482E-07 0.100000E-04    0.991048E+00
  72    0.860232E-04    0.104408E+03 -0.823913E-06 0.100000E-04    0.994515E+00
  73   -0.236998E-04    0.102913E+03  0.230289E-06 0.100000E-04    0.987056E+00
  74    0.166873E-04    0.996259E+02 -0.167500E-06 0.100000E-04    0.981390E+00
  75   -0.747930E-04    0.960263E+02  0.778880E-06 0.100000E-04    0.992498E+00
  76   -0.357382E-05    0.941839E+02  0.379452E-07 0.100000E-04    0.831646E+00
  77   -0.560495E-04    0.925536E+02  0.605590E-06 0.100000E-04    0.996727E+00
  78    0.174797E-04    0.910439E+02 -0.191993E-06 0.100000E-04    0.980893E+00
  79    0.531805E-05    0.887770E+02 -0.599035E-07 0.100000E-04    0.992354E+00
  80    0.183614E-04    0.854349E+02 -0.214916E-06 0.100000E-04    0.989825E+00
  81    0.342092E-04    0.808356E+02 -0.423194E-06 0.100000E-04    0.991799E+00
  82    0.258551E-04    0.801964E+02 -0.322398E-06 0.100000E-04    0.977023E+00
  83   -0.111240E-04    0.780801E+02  0.142469E-06 0.100000E-04    0.961581E+00
  84    0.550343E-04    0.732848E+02 -0.750965E-06 0.100000E-04    0.980342E+00
  85   -0.379084E-05    0.727528E+02  0.521057E-07 0.100000E-04    0.741895E+00
  86    0.203381E-04    0.681107E+02 -0.298603E-06 0.100000E-04    0.983318E+00
  87    0.443882E-04    0.650816E+02 -0.682040E-06 0.100000E-04    0.983586E+00
  88    0.260098E-04    0.618645E+02 -0.420431E-06 0.100000E-04    0.998209E+00
  89   -0.224450E-04    0.599616E+02  0.374324E-06 0.100000E-04    0.947231E+00
  90   -0.440958E-04    0.593899E+02  0.742480E-06 0.100000E-04    0.996945E+00
  91    0.486413E-04    0.584321E+02 -0.832441E-06 0.100000E-04    0.970344E+00
  92    0.654442E-04    0.559859E+02 -0.116894E-05 0.100000E-04    0.981009E+00
  93   -0.400917E-04    0.525284E+02  0.763238E-06 0.100000E-04    0.973046E+00
  94    0.528699E-04    0.522221E+02 -0.101240E-05 0.100000E-04    0.992090E+00
  95    0.565544E-05    0.500426E+02 -0.113013E-06 0.100000E-04    0.654516E+00
  96   -0.133813E-04    0.465647E+02  0.287370E-06 0.100000E-04    0.963862E+00
  97    0.210452E-04    0.431001E+02 -0.488287E-06 0.100000E-04    0.904168E+00
  98    0.544359E-04    0.408096E+02 -0.133390E-05 0.100000E-04    0.989386E+00
  99   -0.962091E-04    0.378996E+02  0.253853E-05 0.100000E-04    0.979417E+00
 100   -0.674180E-04    0.364392E+02  0.185015E-05 0.100000E-04    0.994352E+00
 101   -0.186118E-04    0.327328E+02  0.568599E-06 0.100000E-04    0.661730E+00
 102    0.109436E-03    0.287997E+02 -0.379990E-05 0.100000E-04    0.989859E+00
 103   -0.570689E-04    0.284656E+02  0.200484E-05 0.100000E-04    0.993430E+00
 104   -0.153866E-03    0.263823E+02  0.583216E-05 0.100000E-04    0.985327E+00
 105    0.626941E-04    0.232756E+02 -0.269356E-05 0.100000E-04    0.975887E+00
 106    0.306454E-04    0.212176E+02 -0.144434E-05 0.100000E-04    0.961820E+00
 107    0.999843E-04    0.200885E+02 -0.497720E-05 0.100000E-04    0.872669E+00
 108    0.680096E-04    0.166001E+02 -0.409695E-05 0.100000E-04    0.851697E+00
 109    0.840234E-04    0.138740E+02 -0.605617E-05 0.100000E-04    0.999028E+00
 110   -0.151310E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.999542E+00
 111   -0.754497E-04    0.100822E+02  0.748342E-05 0.100000E-04    0.986260E+00
 112    0.250970E-01    0.854919E+01 -0.311501E-04 0.311501E-04    0.277174E-01
 113    0.510282E-01    0.591023E+01 -0.113488E-03 0.113488E-03    0.224453E+00
 114   -0.880830E+00    0.338931E+01 -0.400000E-03 0.400000E-03    0.670487E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2443657933    

 Beginning of optimization cycle  482.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3097217514
 potential> RMS force:                                               0.0828032084   |gradient|=.8840963360    
 Eigenvalues of the Hessian matrix:
   743.62617    674.58824    629.31567    601.80404    586.85058    577.82107 
   566.47441    486.96568    461.49009    460.27075    441.81154    428.82601 
   422.08238    408.51369    396.62622    388.07343    369.53755    360.59013 
   349.63263    335.02297    328.52411    321.87306    319.05629    310.04384 
   301.40203    290.20327    278.38450    272.21668    268.11987    264.77876 
   262.82746    253.50209    241.54724    240.24904    233.73996    227.52144 
   217.17259    214.79938    213.25593    207.37665    203.26198    196.00807 
   194.75004    191.29215    182.90162    174.05877    172.32099    167.98568 
   163.63494    157.24190    154.68096    152.18579    147.14268    143.51430 
   137.76907    135.90192    130.44502    128.68813    126.73536    124.66735 
   119.95206    118.15729    117.07031    110.35466    107.03342    104.40707 
   102.91080     99.62427     96.03088     94.18531     92.53531     91.04734 
    88.76877     85.43821     80.83478     80.20098     78.07761     73.28850 
    72.75306     68.10818     65.07425     61.84991     59.96033     59.39041 
    58.42345     55.98423     52.52752     52.21948     50.04425     46.55575 
    43.10463     40.81263     37.90081     36.43822     32.71959     28.80056 
    28.46460     26.37659     23.27710     21.22162     20.08006     16.59703 
    13.87472     12.23903     10.08293      8.55315      5.90254      3.38342 
overlap for current and previous eigenvector    109 is         0.9999996739
overlap for current and previous eigenvector    110 is         0.9999997972
overlap for current and previous eigenvector    111 is         0.9999995894
overlap for current and previous eigenvector    112 is         0.9999994527
overlap for current and previous eigenvector    113 is         0.9999983160
overlap for current and previous eigenvector    114 is         0.9999987478
J1,K1,R1,R2,RAT=   7   7   -0.2743376803E-02     2.002532010        0.9972566232    
FOB,PFOB,DIAG,PSTEP=   -0.9389470691E-05   -0.9363779600E-05     743.6261721        0.1259338314E-07
J1,K1,R1,R2,RAT=   8   8    0.1541573535E-01     1.984582179        0.9845821789    
FOB,PFOB,DIAG,PSTEP=   -0.9351601613E-05   -0.9498020740E-05     674.5882437        0.1407974529E-07
J1,K1,R1,R2,RAT=   9   9    0.3421965109E-01     1.965697841        0.9656978409    
FOB,PFOB,DIAG,PSTEP=   -0.6382562461E-05   -0.6608719880E-05     629.3156730        0.1050187181E-07
J1,K1,R1,R2,RAT=  10  10   -0.6163930733E-01     2.061724214        0.9383606927    
FOB,PFOB,DIAG,PSTEP=    0.3281579471E-05    0.3091056950E-05     601.8040394       -0.5136100004E-08
J1,K1,R1,R2,RAT=  11  11   -0.4166667370E-01     2.041697795        0.9583333263    
FOB,PFOB,DIAG,PSTEP=   -0.2419407445E-05   -0.2322632578E-05     586.8505783        0.3957730505E-08
J1,K1,R1,R2,RAT= 109 109    0.1806601810E-01     1.981833698        0.9818336983    
FOB,PFOB,DIAG,PSTEP=    0.8250537172E-04    0.8402341640E-04     13.87472155       -0.6056166921E-05
J1,K1,R1,R2,RAT= 110 110   -0.7455257465E-01     247.3327732        0.9254474254    
FOB,PFOB,DIAG,PSTEP=   -0.1514013300E-01   -0.1513100848E-01     12.23903371        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1737054004E-02     2.001599818        0.9982629460    
FOB,PFOB,DIAG,PSTEP=   -0.7558074646E-04   -0.7544967731E-04     10.08293317        0.7483423085E-05
J1,K1,R1,R2,RAT= 112 112   -0.7845586140         189.1778542        0.2154413860    
FOB,PFOB,DIAG,PSTEP=    0.2530599163E-01    0.2509696045E-01     8.553151360       -0.3115010545E-04
J1,K1,R1,R2,RAT= 113 113   -0.8471611999         153.2001038        0.1528388001    
FOB,PFOB,DIAG,PSTEP=    0.5159567472E-01    0.5102818845E-01     5.902544485       -0.1134880230E-03
J1,K1,R1,R2,RAT= 114 114    0.9361059800        -1302.620609        0.6389402002E-01
FOB,PFOB,DIAG,PSTEP=   -0.8820966176       -0.8808297208         3.383422475       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001     -0.00002      0.00003     -0.00001     -0.00002 
    -0.00003      0.00002     -0.00000     -0.00004      0.00002     -0.00000 
    -0.00003     -0.00001     -0.00001     -0.00004      0.00001      0.00009 
    -0.00002      0.00002     -0.00008     -0.00000      0.00006      0.00002 
     0.00001      0.00002      0.00003      0.00003     -0.00001      0.00006 
    -0.00000      0.00002      0.00005      0.00003      0.00002      0.00004 
    -0.00005     -0.00006      0.00004     -0.00005      0.00000      0.00001 
     0.00002      0.00006     -0.00010     -0.00007     -0.00002      0.00011 
    -0.00006      0.00016     -0.00006      0.00003      0.00009      0.00006 
     0.00008     -0.01514     -0.00008      0.02531      0.05160     -0.88210 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3920539951
 Log product of positive Hessian eigenvalues =          519.1701570354
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3834224748
 Unscaled step for mode    7=        0.0000000126
 Unscaled step for mode    8=        0.0000000139
 Unscaled step for mode    9=        0.0000000101
 Unscaled step for mode   10=       -0.0000000055
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000222
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=       -0.0000000147
 Unscaled step for mode   15=       -0.0000000041
 Unscaled step for mode   16=       -0.0000000130
 Unscaled step for mode   17=       -0.0000000024
 Unscaled step for mode   18=       -0.0000000059
 Unscaled step for mode   19=        0.0000000482
 Unscaled step for mode   20=       -0.0000000034
 Unscaled step for mode   21=       -0.0000000043
 Unscaled step for mode   22=        0.0000000377
 Unscaled step for mode   23=       -0.0000000143
 Unscaled step for mode   24=        0.0000000256
 Unscaled step for mode   25=        0.0000000695
 Unscaled step for mode   26=        0.0000001038
 Unscaled step for mode   27=        0.0000000474
 Unscaled step for mode   28=       -0.0000000272
 Unscaled step for mode   29=        0.0000001049
 Unscaled step for mode   30=        0.0000000831
 Unscaled step for mode   31=        0.0000000937
 Unscaled step for mode   32=        0.0000000573
 Unscaled step for mode   33=       -0.0000000527
 Unscaled step for mode   34=        0.0000000758
 Unscaled step for mode   35=       -0.0000001031
 Unscaled step for mode   36=       -0.0000001180
 Unscaled step for mode   37=       -0.0000000679
 Unscaled step for mode   38=       -0.0000000281
 Unscaled step for mode   39=        0.0000000873
 Unscaled step for mode   40=        0.0000001622
 Unscaled step for mode   41=        0.0000002168
 Unscaled step for mode   42=        0.0000001236
 Unscaled step for mode   43=        0.0000000824
 Unscaled step for mode   44=        0.0000002402
 Unscaled step for mode   45=       -0.0000000623
 Unscaled step for mode   46=       -0.0000001894
 Unscaled step for mode   47=        0.0000001283
 Unscaled step for mode   48=       -0.0000000148
 Unscaled step for mode   49=       -0.0000001744
 Unscaled step for mode   50=       -0.0000000004
 Unscaled step for mode   51=        0.0000000927
 Unscaled step for mode   52=       -0.0000000468
 Unscaled step for mode   53=       -0.0000000838
 Unscaled step for mode   54=        0.0000001562
 Unscaled step for mode   55=       -0.0000001625
 Unscaled step for mode   56=        0.0000000746
 Unscaled step for mode   57=        0.0000001053
 Unscaled step for mode   58=       -0.0000001928
 Unscaled step for mode   59=        0.0000000687
 Unscaled step for mode   60=        0.0000001651
 Unscaled step for mode   61=        0.0000002286
 Unscaled step for mode   62=       -0.0000001638
 Unscaled step for mode   63=        0.0000000332
 Unscaled step for mode   64=        0.0000003406
 Unscaled step for mode   65=       -0.0000001331
 Unscaled step for mode   66=        0.0000000340
 Unscaled step for mode   67=        0.0000002113
 Unscaled step for mode   68=        0.0000000524
 Unscaled step for mode   69=        0.0000000779
 Unscaled step for mode   70=        0.0000003388
 Unscaled step for mode   71=       -0.0000000660
 Unscaled step for mode   72=       -0.0000008301
 Unscaled step for mode   73=        0.0000002313
 Unscaled step for mode   74=       -0.0000001701
 Unscaled step for mode   75=        0.0000007813
 Unscaled step for mode   76=        0.0000000378
 Unscaled step for mode   77=       -0.0000006124
 Unscaled step for mode   78=       -0.0000001919
 Unscaled step for mode   79=       -0.0000000600
 Unscaled step for mode   80=       -0.0000002116
 Unscaled step for mode   81=       -0.0000004224
 Unscaled step for mode   82=       -0.0000003159
 Unscaled step for mode   83=        0.0000001369
 Unscaled step for mode   84=       -0.0000007680
 Unscaled step for mode   85=        0.0000000649
 Unscaled step for mode   86=       -0.0000003074
 Unscaled step for mode   87=       -0.0000006957
 Unscaled step for mode   88=       -0.0000004220
 Unscaled step for mode   89=       -0.0000003624
 Unscaled step for mode   90=       -0.0000007369
 Unscaled step for mode   91=        0.0000008577
 Unscaled step for mode   92=        0.0000011496
 Unscaled step for mode   93=       -0.0000007655
 Unscaled step for mode   94=        0.0000010199
 Unscaled step for mode   95=       -0.0000000903
 Unscaled step for mode   96=       -0.0000003044
 Unscaled step for mode   97=       -0.0000005436
 Unscaled step for mode   98=       -0.0000013633
 Unscaled step for mode   99=        0.0000025879
 Unscaled step for mode  100=        0.0000018587
 Unscaled step for mode  101=        0.0000004821
 Unscaled step for mode  102=       -0.0000038488
 Unscaled step for mode  103=        0.0000019834
 Unscaled step for mode  104=       -0.0000058907
 Unscaled step for mode  105=        0.0000027607
 Unscaled step for mode  106=       -0.0000015207
 Unscaled step for mode  107=       -0.0000045560
 Unscaled step for mode  108=       -0.0000036847
 Unscaled step for mode  109=       -0.0000059465
 Unscaled step for mode  110=        0.0012370347
 Unscaled step for mode  111=        0.0000074959
 Unscaled step for mode  112=       -0.0029586487
 Unscaled step for mode  113=       -0.0087405920
 Unscaled step for mode  114=       -0.2450551044
 Largest modulus ratio of non-zero e/values=           219.7851961    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.105124E-14    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.115554E-14    0.100672E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.794616E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.283167E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.653557E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.131762E-14    0.974161E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.938947E-05    0.743626E+03  0.126266E-07 0.100000E-04    0.997257E+00
   8   -0.935160E-05    0.674588E+03  0.138627E-07 0.100000E-04    0.984582E+00
   9   -0.638256E-05    0.629316E+03  0.101421E-07 0.100000E-04    0.965698E+00
  10    0.328158E-05    0.601804E+03 -0.545290E-08 0.100000E-04    0.938361E+00
  11   -0.241941E-05    0.586851E+03  0.412270E-08 0.100000E-04    0.958333E+00
  12   -0.128410E-04    0.577821E+03  0.222231E-07 0.100000E-04    0.972226E+00
  13   -0.336101E-05    0.566474E+03  0.593320E-08 0.100000E-04    0.981466E+00
  14    0.714068E-05    0.486966E+03 -0.146636E-07 0.100000E-04    0.978363E+00
  15    0.188107E-05    0.461490E+03 -0.407608E-08 0.100000E-04    0.940354E+00
  16    0.596428E-05    0.460271E+03 -0.129582E-07 0.100000E-04    0.972594E+00
  17    0.107305E-05    0.441812E+03 -0.242876E-08 0.100000E-04    0.595565E+00
  18    0.254494E-05    0.428826E+03 -0.593467E-08 0.100000E-04    0.945089E+00
  19   -0.203297E-04    0.422082E+03  0.481653E-07 0.100000E-04    0.991069E+00
  20    0.139581E-05    0.408514E+03 -0.341679E-08 0.100000E-04    0.886806E+00
  21    0.168635E-05    0.396626E+03 -0.425174E-08 0.100000E-04    0.893843E+00
  22   -0.146425E-04    0.388073E+03  0.377312E-07 0.100000E-04    0.998385E+00
  23    0.528338E-05    0.369538E+03 -0.142973E-07 0.100000E-04    0.931127E+00
  24   -0.923523E-05    0.360590E+03  0.256114E-07 0.100000E-04    0.992726E+00
  25   -0.243092E-04    0.349633E+03  0.695277E-07 0.100000E-04    0.994104E+00
  26   -0.347753E-04    0.335023E+03  0.103800E-06 0.100000E-04    0.995404E+00
  27   -0.155725E-04    0.328524E+03  0.474013E-07 0.100000E-04    0.992717E+00
  28    0.876182E-05    0.321873E+03 -0.272213E-07 0.100000E-04    0.981125E+00
  29   -0.334580E-04    0.319056E+03  0.104865E-06 0.100000E-04    0.988565E+00
  30   -0.257609E-04    0.310044E+03  0.830879E-07 0.100000E-04    0.984604E+00
  31   -0.282319E-04    0.301402E+03  0.936687E-07 0.100000E-04    0.988645E+00
  32   -0.166334E-04    0.290203E+03  0.573165E-07 0.100000E-04    0.992456E+00
  33    0.146689E-04    0.278384E+03 -0.526929E-07 0.100000E-04    0.982929E+00
  34   -0.206447E-04    0.272217E+03  0.758392E-07 0.100000E-04    0.988233E+00
  35    0.276394E-04    0.268120E+03 -0.103086E-06 0.100000E-04    0.988772E+00
  36    0.312385E-04    0.264779E+03 -0.117980E-06 0.100000E-04    0.995860E+00
  37    0.178553E-04    0.262827E+03 -0.679354E-07 0.100000E-04    0.995493E+00
  38    0.711897E-05    0.253502E+03 -0.280825E-07 0.100000E-04    0.998686E+00
  39   -0.210759E-04    0.241547E+03  0.872539E-07 0.100000E-04    0.992023E+00
  40   -0.389613E-04    0.240249E+03  0.162171E-06 0.100000E-04    0.999534E+00
  41   -0.506830E-04    0.233740E+03  0.216835E-06 0.100000E-04    0.996951E+00
  42   -0.281120E-04    0.227521E+03  0.123558E-06 0.100000E-04    0.986953E+00
  43   -0.178984E-04    0.217173E+03  0.824157E-07 0.100000E-04    0.976281E+00
  44   -0.516005E-04    0.214799E+03  0.240227E-06 0.100000E-04    0.992101E+00
  45    0.132793E-04    0.213256E+03 -0.622693E-07 0.100000E-04    0.971612E+00
  46    0.392762E-04    0.207377E+03 -0.189396E-06 0.100000E-04    0.996842E+00
  47   -0.260763E-04    0.203262E+03  0.128289E-06 0.100000E-04    0.988475E+00
  48    0.289949E-05    0.196008E+03 -0.147927E-07 0.100000E-04    0.847309E+00
  49    0.339741E-04    0.194750E+03 -0.174450E-06 0.100000E-04    0.990157E+00
  50    0.746486E-07    0.191292E+03 -0.390233E-09 0.109000E-04    0.676508E-01
  51   -0.169508E-04    0.182902E+03  0.926770E-07 0.100000E-04    0.999563E+00
  52    0.813800E-05    0.174059E+03 -0.467543E-07 0.100000E-04    0.979029E+00
  53    0.144479E-04    0.172321E+03 -0.838430E-07 0.100000E-04    0.988009E+00
  54   -0.262431E-04    0.167986E+03  0.156222E-06 0.100000E-04    0.998987E+00
  55    0.265932E-04    0.163635E+03 -0.162516E-06 0.100000E-04    0.999724E+00
  56   -0.117255E-04    0.157242E+03  0.745699E-07 0.100000E-04    0.989959E+00
  57   -0.162864E-04    0.154681E+03  0.105290E-06 0.100000E-04    0.979112E+00
  58    0.293477E-04    0.152186E+03 -0.192841E-06 0.100000E-04    0.998948E+00
  59   -0.101044E-04    0.147143E+03  0.686707E-07 0.100000E-04    0.995432E+00
  60   -0.236882E-04    0.143514E+03  0.165058E-06 0.100000E-04    0.993298E+00
  61   -0.314938E-04    0.137769E+03  0.228598E-06 0.100000E-04    0.969312E+00
  62    0.222550E-04    0.135902E+03 -0.163758E-06 0.100000E-04    0.990542E+00
  63   -0.433624E-05    0.130445E+03  0.332419E-07 0.100000E-04    0.784465E+00
  64   -0.438317E-04    0.128688E+03  0.340604E-06 0.100000E-04    0.992225E+00
  65    0.168653E-04    0.126735E+03 -0.133075E-06 0.100000E-04    0.951367E+00
  66   -0.423685E-05    0.124667E+03  0.339853E-07 0.100000E-04    0.947900E+00
  67   -0.253424E-04    0.119952E+03  0.211271E-06 0.100000E-04    0.984426E+00
  68   -0.618651E-05    0.118157E+03  0.523583E-07 0.100000E-04    0.982343E+00
  69   -0.912370E-05    0.117070E+03  0.779335E-07 0.100000E-04    0.958641E+00
  70   -0.373877E-04    0.110355E+03  0.338796E-06 0.100000E-04    0.983681E+00
  71    0.706770E-05    0.107033E+03 -0.660326E-07 0.100000E-04    0.963263E+00
  72    0.866691E-04    0.104407E+03 -0.830107E-06 0.100000E-04    0.992491E+00
  73   -0.237999E-04    0.102911E+03  0.231268E-06 0.100000E-04    0.995774E+00
  74    0.169463E-04    0.996243E+02 -0.170103E-06 0.100000E-04    0.984479E+00
  75   -0.750267E-04    0.960309E+02  0.781277E-06 0.100000E-04    0.996875E+00
  76   -0.356172E-05    0.941853E+02  0.378161E-07 0.100000E-04    0.996581E+00
  77    0.566673E-04    0.925353E+02 -0.612385E-06 0.100000E-04    0.988977E+00
  78    0.174727E-04    0.910473E+02 -0.191907E-06 0.100000E-04    0.999518E+00
  79    0.533016E-05    0.887688E+02 -0.600454E-07 0.100000E-04    0.997723E+00
  80    0.180774E-04    0.854382E+02 -0.211585E-06 0.100000E-04    0.984460E+00
  81    0.341424E-04    0.808348E+02 -0.422372E-06 0.100000E-04    0.998048E+00
  82    0.253392E-04    0.802010E+02 -0.315946E-06 0.100000E-04    0.979931E+00
  83   -0.106904E-04    0.780776E+02  0.136920E-06 0.100000E-04    0.961022E+00
  84    0.562870E-04    0.732885E+02 -0.768020E-06 0.100000E-04    0.977239E+00
  85   -0.472064E-05    0.727531E+02  0.648858E-07 0.100000E-04    0.754724E+00
  86    0.209368E-04    0.681082E+02 -0.307405E-06 0.100000E-04    0.970560E+00
  87    0.452707E-04    0.650742E+02 -0.695678E-06 0.100000E-04    0.980117E+00
  88    0.261002E-04    0.618499E+02 -0.421992E-06 0.100000E-04    0.996524E+00
  89    0.217284E-04    0.599603E+02 -0.362379E-06 0.100000E-04    0.968068E+00
  90    0.437626E-04    0.593904E+02 -0.736863E-06 0.100000E-04    0.992428E+00
  91   -0.501084E-04    0.584234E+02  0.857676E-06 0.100000E-04    0.969835E+00
  92   -0.643576E-04    0.559842E+02  0.114957E-05 0.100000E-04    0.983395E+00
  93    0.402112E-04    0.525275E+02 -0.765526E-06 0.100000E-04    0.997020E+00
  94   -0.532580E-04    0.522195E+02  0.101989E-05 0.100000E-04    0.992661E+00
  95    0.452059E-05    0.500442E+02 -0.903318E-07 0.100000E-04    0.799274E+00
  96    0.141721E-04    0.465558E+02 -0.304412E-06 0.100000E-04    0.940889E+00
  97    0.234316E-04    0.431046E+02 -0.543598E-06 0.100000E-04    0.886619E+00
  98    0.556383E-04    0.408126E+02 -0.136326E-05 0.100000E-04    0.977914E+00
  99   -0.980818E-04    0.379008E+02  0.258786E-05 0.100000E-04    0.980536E+00
 100   -0.677276E-04    0.364382E+02  0.185870E-05 0.100000E-04    0.995407E+00
 101   -0.157750E-04    0.327196E+02  0.482126E-06 0.100000E-04    0.847516E+00
 102    0.110848E-03    0.288006E+02 -0.384882E-05 0.100000E-04    0.987096E+00
 103   -0.564579E-04    0.284646E+02  0.198344E-05 0.100000E-04    0.989293E+00
 104    0.155378E-03    0.263766E+02 -0.589074E-05 0.100000E-04    0.990170E+00
 105   -0.642603E-04    0.232771E+02  0.276067E-05 0.100000E-04    0.975021E+00
 106    0.322714E-04    0.212216E+02 -0.152069E-05 0.100000E-04    0.946950E+00
 107    0.914848E-04    0.200801E+02 -0.455600E-05 0.100000E-04    0.914956E+00
 108    0.611552E-04    0.165970E+02 -0.368470E-05 0.100000E-04    0.899194E+00
 109    0.825054E-04    0.138747E+02 -0.594645E-05 0.100000E-04    0.981834E+00
 110   -0.151401E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.925447E+00
 111   -0.755807E-04    0.100829E+02  0.749591E-05 0.100000E-04    0.998263E+00
 112    0.253060E-01    0.855315E+01 -0.280632E-04 0.280632E-04    0.215441E+00
 113    0.515957E-01    0.590254E+01 -0.123702E-03 0.123702E-03    0.152839E+00
 114   -0.882097E+00    0.338342E+01 -0.400000E-03 0.400000E-03    0.638940E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2450551044    

 Beginning of optimization cycle  483.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3093758395
 potential> RMS force:                                               0.0829247412   |gradient|=.8853939513    
 Eigenvalues of the Hessian matrix:
   743.70549    674.58781    629.34222    601.77873    586.84102    577.86009 
   566.45414    486.98942    461.46651    460.26041    441.81330    428.82742 
   422.08115    408.50886    396.62066    388.06228    369.55229    360.58519 
   349.62412    335.02706    328.54540    321.87645    319.04605    310.03123 
   301.38220    290.21515    278.38954    272.23096    268.12968    264.78054 
   262.85675    253.49397    241.54298    240.26359    233.73958    227.51538 
   217.15917    214.80389    213.25947    207.38226    203.25613    195.99418 
   194.74850    191.29180    182.89590    174.06036    172.31996    167.99096 
   163.62371    157.22968    154.68557    152.19023    147.13046    143.51353 
   137.77579    135.90086    130.44281    128.69167    126.74022    124.65660 
   119.95295    118.15755    117.06763    110.35255    107.02903    104.40598 
   102.90814     99.62257     96.03536     94.18653     92.51699     91.05095 
    88.76043     85.44161     80.83395     80.20589     78.07504     73.29199 
    72.75293     68.10536     65.06676     61.83521     59.95895     59.39079 
    58.41452     55.98232     52.52648     52.21659     50.04600     46.54658 
    43.10939     40.81565     37.90183     36.43666     32.70630     28.80143 
    28.46362     26.37096     23.27866     21.22548     20.07170     16.59390 
    13.87541     12.23902     10.08363      8.55746      5.89489      3.37753 
overlap for current and previous eigenvector    109 is         0.9999996408
overlap for current and previous eigenvector    110 is         0.9999997867
overlap for current and previous eigenvector    111 is         0.9999995422
overlap for current and previous eigenvector    112 is         0.9999993681
overlap for current and previous eigenvector    113 is         0.9999981345
overlap for current and previous eigenvector    114 is         0.9999986145
J1,K1,R1,R2,RAT=   7   7   -0.3641936453E-02     2.003428644        0.9963580635    
FOB,PFOB,DIAG,PSTEP=   -0.9423670194E-05   -0.9389470691E-05     743.7054853        0.1262660063E-07
J1,K1,R1,R2,RAT=   8   8   -0.1823444095E-01     2.018235740        0.9817655591    
FOB,PFOB,DIAG,PSTEP=   -0.9522122729E-05   -0.9351601613E-05     674.5878055        0.1386268098E-07
J1,K1,R1,R2,RAT=   9   9   -0.4082323809E-01     2.040738875        0.9591767619    
FOB,PFOB,DIAG,PSTEP=   -0.6643130320E-05   -0.6382562461E-05     629.3422195        0.1014206818E-07
J1,K1,R1,R2,RAT=  10  10    0.4770743074E-01     1.952376679        0.9522925693    
FOB,PFOB,DIAG,PSTEP=    0.3125030329E-05    0.3281579471E-05     601.7787316       -0.5452903696E-08
J1,K1,R1,R2,RAT=  11  11    0.3515769298E-02     1.996516808        0.9964842307    
FOB,PFOB,DIAG,PSTEP=   -0.2410901506E-05   -0.2419407445E-05     586.8410194        0.4122697557E-08
J1,K1,R1,R2,RAT= 109 109   -0.5518135980E-02     2.005418918        0.9944818640    
FOB,PFOB,DIAG,PSTEP=    0.8296067016E-04    0.8250537172E-04     13.87540990       -0.5946452433E-05
J1,K1,R1,R2,RAT= 110 110   -0.9226557343E-02     247.4169125        0.9907734427    
FOB,PFOB,DIAG,PSTEP=   -0.1514126224E-01   -0.1514013300E-01     12.23901589        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2942673348E-02     1.996918877        0.9969188768    
FOB,PFOB,DIAG,PSTEP=   -0.7535832162E-04   -0.7558074646E-04     10.08363121        0.7495908696E-05
J1,K1,R1,R2,RAT= 112 112    -1.032784466         211.7848733        0.3278446597E-01
FOB,PFOB,DIAG,PSTEP=    0.2555401418E-01    0.2530599163E-01     8.557460943       -0.2806315806E-04
J1,K1,R1,R2,RAT= 113 113   -0.8029886343         142.3141540        0.1970113657    
FOB,PFOB,DIAG,PSTEP=    0.5218122202E-01    0.5159567472E-01     5.894894755       -0.1237019451E-03
J1,K1,R1,R2,RAT= 114 114    0.9318923826        -1306.762309        0.6810761737E-01
FOB,PFOB,DIAG,PSTEP=   -0.8833556159       -0.8820966176         3.377531287       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003     -0.00001     -0.00002      0.00003     -0.00001     -0.00002 
     0.00003     -0.00002      0.00000      0.00004     -0.00002      0.00000 
     0.00003     -0.00001      0.00001      0.00004      0.00001     -0.00009 
     0.00002     -0.00002     -0.00007     -0.00000      0.00006     -0.00002 
     0.00001     -0.00002     -0.00003     -0.00003      0.00001      0.00006 
     0.00000     -0.00002      0.00004      0.00003      0.00002      0.00004 
    -0.00005     -0.00007      0.00004      0.00005      0.00001     -0.00001 
     0.00002      0.00005     -0.00010     -0.00007     -0.00002      0.00011 
    -0.00006      0.00015     -0.00006      0.00003      0.00010      0.00007 
     0.00008     -0.01514     -0.00008      0.02555      0.05218     -0.88336 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3917820626
 Log product of positive Hessian eigenvalues =          519.1658467531
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3775312870
 Unscaled step for mode    7=        0.0000000127
 Unscaled step for mode    8=        0.0000000141
 Unscaled step for mode    9=        0.0000000106
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000041
 Unscaled step for mode   12=        0.0000000229
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000151
 Unscaled step for mode   15=       -0.0000000040
 Unscaled step for mode   16=       -0.0000000126
 Unscaled step for mode   17=       -0.0000000017
 Unscaled step for mode   18=       -0.0000000057
 Unscaled step for mode   19=        0.0000000479
 Unscaled step for mode   20=       -0.0000000031
 Unscaled step for mode   21=       -0.0000000037
 Unscaled step for mode   22=        0.0000000379
 Unscaled step for mode   23=       -0.0000000152
 Unscaled step for mode   24=        0.0000000259
 Unscaled step for mode   25=        0.0000000694
 Unscaled step for mode   26=        0.0000001032
 Unscaled step for mode   27=        0.0000000470
 Unscaled step for mode   28=       -0.0000000266
 Unscaled step for mode   29=        0.0000001042
 Unscaled step for mode   30=        0.0000000841
 Unscaled step for mode   31=        0.0000000950
 Unscaled step for mode   32=        0.0000000580
 Unscaled step for mode   33=       -0.0000000517
 Unscaled step for mode   34=        0.0000000753
 Unscaled step for mode   35=       -0.0000001039
 Unscaled step for mode   36=       -0.0000001192
 Unscaled step for mode   37=       -0.0000000668
 Unscaled step for mode   38=       -0.0000000283
 Unscaled step for mode   39=        0.0000000868
 Unscaled step for mode   40=        0.0000001630
 Unscaled step for mode   41=        0.0000002172
 Unscaled step for mode   42=        0.0000001254
 Unscaled step for mode   43=        0.0000000823
 Unscaled step for mode   44=        0.0000002428
 Unscaled step for mode   45=       -0.0000000631
 Unscaled step for mode   46=       -0.0000001903
 Unscaled step for mode   47=        0.0000001289
 Unscaled step for mode   48=       -0.0000000126
 Unscaled step for mode   49=       -0.0000001761
 Unscaled step for mode   50=       -0.0000000055
 Unscaled step for mode   51=        0.0000000924
 Unscaled step for mode   52=       -0.0000000462
 Unscaled step for mode   53=       -0.0000000833
 Unscaled step for mode   54=        0.0000001570
 Unscaled step for mode   55=       -0.0000001629
 Unscaled step for mode   56=        0.0000000752
 Unscaled step for mode   57=        0.0000001041
 Unscaled step for mode   58=       -0.0000001933
 Unscaled step for mode   59=        0.0000000685
 Unscaled step for mode   60=        0.0000001642
 Unscaled step for mode   61=       -0.0000002225
 Unscaled step for mode   62=        0.0000001641
 Unscaled step for mode   63=       -0.0000000250
 Unscaled step for mode   64=       -0.0000003388
 Unscaled step for mode   65=        0.0000001268
 Unscaled step for mode   66=       -0.0000000303
 Unscaled step for mode   67=       -0.0000002158
 Unscaled step for mode   68=        0.0000000510
 Unscaled step for mode   69=       -0.0000000759
 Unscaled step for mode   70=       -0.0000003444
 Unscaled step for mode   71=       -0.0000000668
 Unscaled step for mode   72=        0.0000008262
 Unscaled step for mode   73=       -0.0000002278
 Unscaled step for mode   74=        0.0000001660
 Unscaled step for mode   75=        0.0000007747
 Unscaled step for mode   76=        0.0000000303
 Unscaled step for mode   77=       -0.0000006127
 Unscaled step for mode   78=        0.0000001957
 Unscaled step for mode   79=       -0.0000000592
 Unscaled step for mode   80=        0.0000002137
 Unscaled step for mode   81=        0.0000004252
 Unscaled step for mode   82=        0.0000003228
 Unscaled step for mode   83=       -0.0000001422
 Unscaled step for mode   84=       -0.0000007526
 Unscaled step for mode   85=       -0.0000000469
 Unscaled step for mode   86=        0.0000003021
 Unscaled step for mode   87=       -0.0000006870
 Unscaled step for mode   88=       -0.0000004189
 Unscaled step for mode   89=       -0.0000003817
 Unscaled step for mode   90=       -0.0000007404
 Unscaled step for mode   91=        0.0000008401
 Unscaled step for mode   92=        0.0000011676
 Unscaled step for mode   93=       -0.0000007802
 Unscaled step for mode   94=       -0.0000010108
 Unscaled step for mode   95=       -0.0000001194
 Unscaled step for mode   96=        0.0000002999
 Unscaled step for mode   97=       -0.0000004923
 Unscaled step for mode   98=       -0.0000013416
 Unscaled step for mode   99=        0.0000025349
 Unscaled step for mode  100=        0.0000018483
 Unscaled step for mode  101=        0.0000005894
 Unscaled step for mode  102=       -0.0000038135
 Unscaled step for mode  103=        0.0000020018
 Unscaled step for mode  104=       -0.0000058351
 Unscaled step for mode  105=        0.0000027171
 Unscaled step for mode  106=       -0.0000014729
 Unscaled step for mode  107=       -0.0000050141
 Unscaled step for mode  108=       -0.0000041240
 Unscaled step for mode  109=       -0.0000059790
 Unscaled step for mode  110=        0.0012371288
 Unscaled step for mode  111=        0.0000074733
 Unscaled step for mode  112=       -0.0029861412
 Unscaled step for mode  113=       -0.0088512410
 Unscaled step for mode  114=       -0.2457444254
 Largest modulus ratio of non-zero e/values=           220.1920344    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.853918E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.224603E-14    0.100672E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.163715E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.468785E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.762445E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.787402E-17    0.974163E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.942367E-05    0.743705E+03  0.126712E-07 0.100000E-04    0.996358E+00
   8   -0.952212E-05    0.674588E+03  0.141155E-07 0.100000E-04    0.981766E+00
   9   -0.664313E-05    0.629342E+03  0.105557E-07 0.100000E-04    0.959177E+00
  10    0.312503E-05    0.601779E+03 -0.519299E-08 0.100000E-04    0.952293E+00
  11   -0.241090E-05    0.586841E+03  0.410827E-08 0.100000E-04    0.996484E+00
  12   -0.132239E-04    0.577860E+03  0.228842E-07 0.100000E-04    0.970185E+00
  13   -0.343581E-05    0.566454E+03  0.606546E-08 0.100000E-04    0.977744E+00
  14    0.735623E-05    0.486989E+03 -0.151055E-07 0.100000E-04    0.969816E+00
  15    0.184824E-05    0.461467E+03 -0.400515E-08 0.100000E-04    0.982547E+00
  16    0.578279E-05    0.460260E+03 -0.125642E-07 0.100000E-04    0.969570E+00
  17    0.747858E-06    0.441813E+03 -0.169270E-08 0.100000E-04    0.696937E+00
  18    0.245033E-05    0.428827E+03 -0.571403E-08 0.100000E-04    0.962817E+00
  19   -0.202152E-04    0.422081E+03  0.478940E-07 0.100000E-04    0.994364E+00
  20    0.125401E-05    0.408509E+03 -0.306973E-08 0.100000E-04    0.898413E+00
  21    0.148706E-05    0.396621E+03 -0.374932E-08 0.100000E-04    0.881818E+00
  22   -0.146897E-04    0.388062E+03  0.378541E-07 0.100000E-04    0.996771E+00
  23    0.563204E-05    0.369552E+03 -0.152402E-07 0.100000E-04    0.934011E+00
  24   -0.934072E-05    0.360585E+03  0.259043E-07 0.100000E-04    0.988577E+00
  25   -0.242483E-04    0.349624E+03  0.693553E-07 0.100000E-04    0.997496E+00
  26   -0.345666E-04    0.335027E+03  0.103176E-06 0.100000E-04    0.993975E+00
  27   -0.154577E-04    0.328545E+03  0.470488E-07 0.100000E-04    0.992499E+00
  28    0.855904E-05    0.321876E+03 -0.265911E-07 0.100000E-04    0.976836E+00
  29   -0.332363E-04    0.319046E+03  0.104174E-06 0.100000E-04    0.993374E+00
  30   -0.260711E-04    0.310031E+03  0.840919E-07 0.100000E-04    0.987958E+00
  31   -0.286389E-04    0.301382E+03  0.950253E-07 0.100000E-04    0.985583E+00
  32   -0.168376E-04    0.290215E+03  0.580178E-07 0.100000E-04    0.987724E+00
  33    0.143955E-04    0.278390E+03 -0.517098E-07 0.100000E-04    0.981326E+00
  34   -0.205069E-04    0.272231E+03  0.753290E-07 0.100000E-04    0.993220E+00
  35    0.278678E-04    0.268130E+03 -0.103934E-06 0.100000E-04    0.991736E+00
  36    0.315519E-04    0.264781E+03 -0.119162E-06 0.100000E-04    0.989969E+00
  37    0.175645E-04    0.262857E+03 -0.668216E-07 0.100000E-04    0.983494E+00
  38    0.717991E-05    0.253494E+03 -0.283238E-07 0.100000E-04    0.991440E+00
  39   -0.209735E-04    0.241543E+03  0.868313E-07 0.100000E-04    0.995139E+00
  40   -0.391743E-04    0.240264E+03  0.163047E-06 0.100000E-04    0.994535E+00
  41   -0.507665E-04    0.233740E+03  0.217193E-06 0.100000E-04    0.998353E+00
  42   -0.285228E-04    0.227515E+03  0.125367E-06 0.100000E-04    0.985386E+00
  43   -0.178770E-04    0.217159E+03  0.823222E-07 0.100000E-04    0.998804E+00
  44   -0.521571E-04    0.214804E+03  0.242813E-06 0.100000E-04    0.989214E+00
  45    0.134507E-04    0.213259E+03 -0.630720E-07 0.100000E-04    0.987092E+00
  46    0.394671E-04    0.207382E+03 -0.190311E-06 0.100000E-04    0.995141E+00
  47   -0.261969E-04    0.203256E+03  0.128886E-06 0.100000E-04    0.995375E+00
  48    0.246369E-05    0.195994E+03 -0.125702E-07 0.100000E-04    0.849686E+00
  49    0.342978E-04    0.194749E+03 -0.176113E-06 0.100000E-04    0.990473E+00
  50    0.106018E-05    0.191292E+03 -0.554221E-08 0.100000E-04    0.122023E+02
  51   -0.169008E-04    0.182896E+03  0.924067E-07 0.100000E-04    0.997052E+00
  52    0.804283E-05    0.174060E+03 -0.462071E-07 0.100000E-04    0.988287E+00
  53    0.143467E-04    0.172320E+03 -0.832563E-07 0.100000E-04    0.992997E+00
  54   -0.263740E-04    0.167991E+03  0.156996E-06 0.100000E-04    0.995015E+00
  55    0.266540E-04    0.163624E+03 -0.162898E-06 0.100000E-04    0.997715E+00
  56   -0.118248E-04    0.157230E+03  0.752073E-07 0.100000E-04    0.991530E+00
  57   -0.161041E-04    0.154686E+03  0.104109E-06 0.100000E-04    0.988752E+00
  58    0.294222E-04    0.152190E+03 -0.193325E-06 0.100000E-04    0.997461E+00
  59   -0.100816E-04    0.147130E+03  0.685215E-07 0.100000E-04    0.997745E+00
  60   -0.235583E-04    0.143514E+03  0.164154E-06 0.100000E-04    0.994518E+00
  61    0.306547E-04    0.137776E+03 -0.222497E-06 0.100000E-04    0.973262E+00
  62   -0.223044E-04    0.135901E+03  0.164123E-06 0.100000E-04    0.997780E+00
  63    0.326455E-05    0.130443E+03 -0.250267E-07 0.100000E-04    0.752848E+00
  64    0.435994E-04    0.128692E+03 -0.338789E-06 0.100000E-04    0.994644E+00
  65   -0.160718E-04    0.126740E+03  0.126809E-06 0.100000E-04    0.952874E+00
  66    0.377716E-05    0.124657E+03 -0.303006E-07 0.100000E-04    0.891493E+00
  67    0.258879E-04    0.119953E+03 -0.215817E-06 0.100000E-04    0.978478E+00
  68   -0.602850E-05    0.118158E+03  0.510208E-07 0.100000E-04    0.974454E+00
  69    0.888920E-05    0.117068E+03 -0.759322E-07 0.100000E-04    0.974297E+00
  70    0.380071E-04    0.110353E+03 -0.344416E-06 0.100000E-04    0.983432E+00
  71    0.714489E-05    0.107029E+03 -0.667565E-07 0.100000E-04    0.989078E+00
  72   -0.862578E-04    0.104406E+03  0.826177E-06 0.100000E-04    0.995255E+00
  73    0.234426E-04    0.102908E+03 -0.227801E-06 0.100000E-04    0.984986E+00
  74   -0.165336E-04    0.996226E+02  0.165962E-06 0.100000E-04    0.975644E+00
  75   -0.744023E-04    0.960354E+02  0.774738E-06 0.100000E-04    0.991584E+00
  76   -0.284944E-05    0.941865E+02  0.302531E-07 0.100000E-04    0.799995E+00
  77    0.566868E-04    0.925170E+02 -0.612718E-06 0.100000E-04    0.999655E+00
  78   -0.178159E-04    0.910509E+02  0.195669E-06 0.100000E-04    0.980356E+00
  79    0.525168E-05    0.887604E+02 -0.591669E-07 0.100000E-04    0.985275E+00
  80   -0.182601E-04    0.854416E+02  0.213715E-06 0.100000E-04    0.989893E+00
  81   -0.343733E-04    0.808340E+02  0.425233E-06 0.100000E-04    0.993238E+00
  82   -0.258892E-04    0.802059E+02  0.322785E-06 0.100000E-04    0.978293E+00
  83    0.111058E-04    0.780750E+02 -0.142245E-06 0.100000E-04    0.961142E+00
  84    0.551622E-04    0.732920E+02 -0.752636E-06 0.100000E-04    0.979922E+00
  85    0.340988E-05    0.727529E+02 -0.468694E-07 0.100000E-04    0.722335E+00
  86   -0.205731E-04    0.681054E+02  0.302078E-06 0.100000E-04    0.982627E+00
  87    0.447027E-04    0.650668E+02 -0.687028E-06 0.100000E-04    0.987452E+00
  88    0.259019E-04    0.618352E+02 -0.418886E-06 0.100000E-04    0.992402E+00
  89    0.228853E-04    0.599590E+02 -0.381682E-06 0.100000E-04    0.946754E+00
  90    0.439726E-04    0.593908E+02 -0.740394E-06 0.100000E-04    0.995202E+00
  91   -0.490767E-04    0.584145E+02  0.840145E-06 0.100000E-04    0.979407E+00
  92   -0.653670E-04    0.559823E+02  0.116764E-05 0.100000E-04    0.984314E+00
  93    0.409806E-04    0.525265E+02 -0.780190E-06 0.100000E-04    0.980864E+00
  94    0.527796E-04    0.522166E+02 -0.101078E-05 0.100000E-04    0.991017E+00
  95    0.597513E-05    0.500460E+02 -0.119393E-06 0.100000E-04    0.678253E+00
  96   -0.139593E-04    0.465466E+02  0.299899E-06 0.100000E-04    0.984978E+00
  97    0.212215E-04    0.431094E+02 -0.492272E-06 0.100000E-04    0.905471E+00
  98    0.547582E-04    0.408156E+02 -0.134160E-05 0.100000E-04    0.984036E+00
  99   -0.960772E-04    0.379018E+02  0.253490E-05 0.100000E-04    0.979509E+00
 100   -0.673449E-04    0.364367E+02  0.184827E-05 0.100000E-04    0.994348E+00
 101   -0.192775E-04    0.327063E+02  0.589413E-06 0.100000E-04    0.777878E+00
 102    0.109833E-03    0.288014E+02 -0.381347E-05 0.100000E-04    0.990783E+00
 103   -0.569779E-04    0.284636E+02  0.200178E-05 0.100000E-04    0.990789E+00
 104    0.153877E-03    0.263710E+02 -0.583510E-05 0.100000E-04    0.990341E+00
 105   -0.632504E-04    0.232787E+02  0.271710E-05 0.100000E-04    0.984150E+00
 106    0.312628E-04    0.212255E+02 -0.147289E-05 0.100000E-04    0.968389E+00
 107    0.100642E-03    0.200717E+02 -0.501411E-05 0.100000E-04    0.899866E+00
 108    0.684333E-04    0.165939E+02 -0.412400E-05 0.100000E-04    0.880967E+00
 109    0.829607E-04    0.138754E+02 -0.597897E-05 0.100000E-04    0.994482E+00
 110   -0.151413E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.990773E+00
 111   -0.753583E-04    0.100836E+02  0.747333E-05 0.100000E-04    0.996919E+00
 112    0.255540E-01    0.855746E+01 -0.305888E-04 0.305888E-04    0.327845E-01
 113    0.521812E-01    0.589489E+01 -0.134835E-03 0.134835E-03    0.197011E+00
 114   -0.883356E+00    0.337753E+01 -0.400000E-03 0.400000E-03    0.681076E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2457444254    

 Beginning of optimization cycle  484.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3090301404
 potential> RMS force:                                               0.0830455904   |gradient|=.8866842669    
 Eigenvalues of the Hessian matrix:
   743.78604    674.58657    629.37006    601.75268    586.83113    577.89919 
   566.43214    487.01269    461.44257    460.24976    441.81468    428.82963 
   422.07970    408.50322    396.61490    388.05057    369.56715    360.58044 
   349.61545    335.03151    328.56701    321.87964    319.03636    310.01825 
   301.36232    290.22697    278.39535    272.24536    268.13959    264.78249 
   262.88637    253.48564    241.53880    240.27844    233.73969    227.50961 
   217.14625    214.80840    213.26280    207.38808    203.25008    195.98001 
   194.74722    191.29168    182.89060    174.06237    172.31896    167.99637 
   163.61237    157.21745    154.69036    152.19454    147.11799    143.51253 
   137.78273    135.89981    130.44043    128.69529    126.74511    124.64535 
   119.95389    118.15785    117.06472    110.35058    107.02454    104.40501 
   102.90550     99.62081     96.03971     94.18754     92.49862     91.05467 
    88.75189     85.44516     80.83315     80.21111     78.07238     73.29532 
    72.75247     68.10237     65.05908     61.82033     59.95751     59.39120 
    58.40557     55.98029     52.52537     52.21350     50.04802     46.53723 
    43.11439     40.81867     37.90276     36.43484     32.69292     28.80243 
    28.46269     26.36550     23.28019     21.22932     20.06338     16.59071 
    13.87612     12.23899     10.08428      8.56245      5.88743      3.37162 
overlap for current and previous eigenvector    109 is         0.9999996008
overlap for current and previous eigenvector    110 is         0.9999997878
overlap for current and previous eigenvector    111 is        -0.9999994993
overlap for current and previous eigenvector    112 is         0.9999992013
overlap for current and previous eigenvector    113 is        -0.9999977836
overlap for current and previous eigenvector    114 is         0.9999984037
J1,K1,R1,R2,RAT=   7   7   -0.4550149713E-02     2.004333547        0.9954498503    
FOB,PFOB,DIAG,PSTEP=   -0.9466553948E-05   -0.9423670194E-05     743.7860383        0.1267123933E-07
J1,K1,R1,R2,RAT=   8   8   -0.1834851669E-01     2.018352178        0.9816514833    
FOB,PFOB,DIAG,PSTEP=   -0.9696839237E-05   -0.9522122729E-05     674.5865704        0.1411546822E-07
J1,K1,R1,R2,RAT=   9   9   -0.6121618910E-01     2.061127708        0.9387838109    
FOB,PFOB,DIAG,PSTEP=   -0.7049815434E-05   -0.6643130320E-05     629.3700633        0.1055567244E-07
J1,K1,R1,R2,RAT=  10  10    0.1511004815E-01     1.984976552        0.9848899518    
FOB,PFOB,DIAG,PSTEP=    0.3077813015E-05    0.3125030329E-05     601.7526757       -0.5192988993E-08
J1,K1,R1,R2,RAT=  11  11    0.3056850072E-01     1.969465187        0.9694314993    
FOB,PFOB,DIAG,PSTEP=   -0.2337205102E-05   -0.2410901506E-05     586.8311350        0.4108270257E-08
J1,K1,R1,R2,RAT= 109 109   -0.2816003327E-01     2.028058330        0.9718399667    
FOB,PFOB,DIAG,PSTEP=    0.8529696420E-04    0.8296067016E-04     13.87611553       -0.5978970767E-05
J1,K1,R1,R2,RAT= 110 110    0.5000371313E-01     247.3766309        0.9499962869    
FOB,PFOB,DIAG,PSTEP=   -0.1513514229E-01   -0.1514126224E-01     12.23899138        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.027124575       -0.2725406569E-01    0.9727459343    
FOB,PFOB,DIAG,PSTEP=    0.7741227525E-04   -0.7535832162E-04     10.08428413        0.7473331781E-05
J1,K1,R1,R2,RAT= 112 112   -0.9592938169         196.0910028        0.4070618307E-01
FOB,PFOB,DIAG,PSTEP=    0.2580526814E-01    0.2555401418E-01     8.562453750       -0.3058884229E-04
J1,K1,R1,R2,RAT= 113 113     132.2616064       -0.7950576040        0.2049423960    
FOB,PFOB,DIAG,PSTEP=   -0.5281236473E-01    0.5218122202E-01     5.887432654       -0.1348351202E-03
J1,K1,R1,R2,RAT= 114 114    0.9258492478        -1310.913435        0.7415075222E-01
FOB,PFOB,DIAG,PSTEP=   -0.8846042600       -0.8833556159         3.371618270       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001      0.00003 
    -0.00003     -0.00001     -0.00002      0.00003     -0.00001     -0.00002 
    -0.00003     -0.00002     -0.00000     -0.00004     -0.00002      0.00000 
    -0.00003      0.00001     -0.00001      0.00004      0.00001     -0.00009 
    -0.00002      0.00002      0.00007     -0.00000      0.00006      0.00002 
    -0.00001     -0.00002      0.00003     -0.00003      0.00001     -0.00005 
     0.00000     -0.00002     -0.00004      0.00003      0.00002      0.00004 
     0.00005     -0.00007      0.00004     -0.00005      0.00001     -0.00001 
     0.00002      0.00005      0.00009      0.00007     -0.00002      0.00011 
     0.00006      0.00015      0.00006     -0.00003     -0.00011     -0.00008 
     0.00009     -0.01514      0.00008      0.02581     -0.05281     -0.88460 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3915072155
 Log product of positive Hessian eigenvalues =          519.1616173324
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3716182703
 Unscaled step for mode    7=        0.0000000127
 Unscaled step for mode    8=        0.0000000144
 Unscaled step for mode    9=        0.0000000112
 Unscaled step for mode   10=       -0.0000000051
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000238
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000156
 Unscaled step for mode   15=       -0.0000000036
 Unscaled step for mode   16=       -0.0000000121
 Unscaled step for mode   17=       -0.0000000008
 Unscaled step for mode   18=       -0.0000000051
 Unscaled step for mode   19=        0.0000000476
 Unscaled step for mode   20=       -0.0000000024
 Unscaled step for mode   21=       -0.0000000030
 Unscaled step for mode   22=        0.0000000384
 Unscaled step for mode   23=       -0.0000000164
 Unscaled step for mode   24=        0.0000000264
 Unscaled step for mode   25=        0.0000000689
 Unscaled step for mode   26=        0.0000001023
 Unscaled step for mode   27=        0.0000000460
 Unscaled step for mode   28=       -0.0000000256
 Unscaled step for mode   29=        0.0000001033
 Unscaled step for mode   30=        0.0000000856
 Unscaled step for mode   31=        0.0000000962
 Unscaled step for mode   32=        0.0000000598
 Unscaled step for mode   33=       -0.0000000511
 Unscaled step for mode   34=        0.0000000750
 Unscaled step for mode   35=       -0.0000001050
 Unscaled step for mode   36=       -0.0000001211
 Unscaled step for mode   37=       -0.0000000653
 Unscaled step for mode   38=       -0.0000000285
 Unscaled step for mode   39=        0.0000000861
 Unscaled step for mode   40=        0.0000001649
 Unscaled step for mode   41=        0.0000002176
 Unscaled step for mode   42=        0.0000001284
 Unscaled step for mode   43=        0.0000000818
 Unscaled step for mode   44=        0.0000002463
 Unscaled step for mode   45=       -0.0000000646
 Unscaled step for mode   46=       -0.0000001914
 Unscaled step for mode   47=        0.0000001297
 Unscaled step for mode   48=       -0.0000000096
 Unscaled step for mode   49=       -0.0000001771
 Unscaled step for mode   50=       -0.0000000103
 Unscaled step for mode   51=        0.0000000911
 Unscaled step for mode   52=       -0.0000000446
 Unscaled step for mode   53=       -0.0000000825
 Unscaled step for mode   54=       -0.0000001566
 Unscaled step for mode   55=        0.0000001643
 Unscaled step for mode   56=        0.0000000788
 Unscaled step for mode   57=        0.0000001021
 Unscaled step for mode   58=       -0.0000001945
 Unscaled step for mode   59=        0.0000000700
 Unscaled step for mode   60=        0.0000001621
 Unscaled step for mode   61=        0.0000002161
 Unscaled step for mode   62=        0.0000001654
 Unscaled step for mode   63=        0.0000000158
 Unscaled step for mode   64=        0.0000003366
 Unscaled step for mode   65=        0.0000001192
 Unscaled step for mode   66=       -0.0000000272
 Unscaled step for mode   67=        0.0000002227
 Unscaled step for mode   68=       -0.0000000487
 Unscaled step for mode   69=        0.0000000748
 Unscaled step for mode   70=       -0.0000003487
 Unscaled step for mode   71=       -0.0000000683
 Unscaled step for mode   72=        0.0000008238
 Unscaled step for mode   73=        0.0000002232
 Unscaled step for mode   74=       -0.0000001632
 Unscaled step for mode   75=       -0.0000007667
 Unscaled step for mode   76=        0.0000000235
 Unscaled step for mode   77=       -0.0000006163
 Unscaled step for mode   78=       -0.0000001912
 Unscaled step for mode   79=        0.0000000603
 Unscaled step for mode   80=        0.0000002135
 Unscaled step for mode   81=       -0.0000004297
 Unscaled step for mode   82=        0.0000003291
 Unscaled step for mode   83=       -0.0000001389
 Unscaled step for mode   84=        0.0000007395
 Unscaled step for mode   85=       -0.0000000283
 Unscaled step for mode   86=        0.0000002940
 Unscaled step for mode   87=        0.0000006745
 Unscaled step for mode   88=       -0.0000004306
 Unscaled step for mode   89=       -0.0000004023
 Unscaled step for mode   90=       -0.0000007429
 Unscaled step for mode   91=       -0.0000008068
 Unscaled step for mode   92=        0.0000011831
 Unscaled step for mode   93=       -0.0000008066
 Unscaled step for mode   94=        0.0000010064
 Unscaled step for mode   95=       -0.0000001412
 Unscaled step for mode   96=        0.0000002866
 Unscaled step for mode   97=       -0.0000004365
 Unscaled step for mode   98=       -0.0000013214
 Unscaled step for mode   99=       -0.0000024767
 Unscaled step for mode  100=       -0.0000018105
 Unscaled step for mode  101=        0.0000007459
 Unscaled step for mode  102=       -0.0000037762
 Unscaled step for mode  103=       -0.0000020259
 Unscaled step for mode  104=       -0.0000058337
 Unscaled step for mode  105=       -0.0000025923
 Unscaled step for mode  106=        0.0000012913
 Unscaled step for mode  107=        0.0000054632
 Unscaled step for mode  108=        0.0000047240
 Unscaled step for mode  109=       -0.0000061470
 Unscaled step for mode  110=        0.0012366312
 Unscaled step for mode  111=       -0.0000076765
 Unscaled step for mode  112=       -0.0030137428
 Unscaled step for mode  113=        0.0089696339
 Unscaled step for mode  114=       -0.2464342935
 Largest modulus ratio of non-zero e/values=           220.6020903    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.220093E-16    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.222359E-14    0.100671E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.123165E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.484744E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.116985E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.394582E-15    0.974165E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.946655E-05    0.743786E+03  0.127275E-07 0.100000E-04    0.995450E+00
   8   -0.969684E-05    0.674587E+03  0.143745E-07 0.100000E-04    0.981651E+00
   9   -0.704982E-05    0.629370E+03  0.112014E-07 0.100000E-04    0.938784E+00
  10    0.307781E-05    0.601753E+03 -0.511475E-08 0.100000E-04    0.984890E+00
  11   -0.233721E-05    0.586831E+03  0.398276E-08 0.100000E-04    0.969431E+00
  12   -0.137633E-04    0.577899E+03  0.238161E-07 0.100000E-04    0.959211E+00
  13   -0.340789E-05    0.566432E+03  0.601641E-08 0.100000E-04    0.991873E+00
  14    0.760448E-05    0.487013E+03 -0.156145E-07 0.100000E-04    0.966254E+00
  15    0.164906E-05    0.461443E+03 -0.357370E-08 0.100000E-04    0.892224E+00
  16    0.556313E-05    0.460250E+03 -0.120872E-07 0.100000E-04    0.962013E+00
  17    0.336835E-06    0.441815E+03 -0.762389E-09 0.100000E-04    0.450395E+00
  18    0.219975E-05    0.428830E+03 -0.512966E-08 0.100000E-04    0.897726E+00
  19   -0.200900E-04    0.422080E+03  0.475976E-07 0.100000E-04    0.993807E+00
  20    0.997612E-06    0.408503E+03 -0.244212E-08 0.100000E-04    0.795534E+00
  21    0.120685E-05    0.396615E+03 -0.304287E-08 0.100000E-04    0.811565E+00
  22   -0.148949E-04    0.388051E+03  0.383840E-07 0.100000E-04    0.986031E+00
  23    0.607527E-05    0.369567E+03 -0.164389E-07 0.100000E-04    0.921305E+00
  24   -0.953328E-05    0.360580E+03  0.264387E-07 0.100000E-04    0.979385E+00
  25   -0.240830E-04    0.349615E+03  0.688842E-07 0.100000E-04    0.993183E+00
  26   -0.342638E-04    0.335032E+03  0.102271E-06 0.100000E-04    0.991214E+00
  27   -0.151225E-04    0.328567E+03  0.460256E-07 0.100000E-04    0.978187E+00
  28    0.824171E-05    0.321880E+03 -0.256050E-07 0.100000E-04    0.962906E+00
  29   -0.329548E-04    0.319036E+03  0.103295E-06 0.100000E-04    0.991529E+00
  30   -0.265387E-04    0.310018E+03  0.856037E-07 0.100000E-04    0.982063E+00
  31   -0.290036E-04    0.301362E+03  0.962415E-07 0.100000E-04    0.987267E+00
  32   -0.173490E-04    0.290227E+03  0.597774E-07 0.100000E-04    0.969630E+00
  33    0.142292E-04    0.278395E+03 -0.511116E-07 0.100000E-04    0.988411E+00
  34   -0.204090E-04    0.272245E+03  0.749656E-07 0.100000E-04    0.995123E+00
  35    0.281526E-04    0.268140E+03 -0.104992E-06 0.100000E-04    0.989783E+00
  36    0.320765E-04    0.264782E+03 -0.121143E-06 0.100000E-04    0.983372E+00
  37    0.171728E-04    0.262886E+03 -0.653242E-07 0.100000E-04    0.977478E+00
  38    0.722028E-05    0.253486E+03 -0.284840E-07 0.100000E-04    0.994378E+00
  39   -0.207989E-04    0.241539E+03  0.861099E-07 0.100000E-04    0.991675E+00
  40   -0.396166E-04    0.240278E+03  0.164878E-06 0.100000E-04    0.988710E+00
  41   -0.508616E-04    0.233740E+03  0.217599E-06 0.100000E-04    0.998126E+00
  42   -0.292183E-04    0.227510E+03  0.128427E-06 0.100000E-04    0.975616E+00
  43   -0.177618E-04    0.217146E+03  0.817966E-07 0.100000E-04    0.993556E+00
  44   -0.528982E-04    0.214808E+03  0.246257E-06 0.100000E-04    0.985792E+00
  45    0.137785E-04    0.213263E+03 -0.646080E-07 0.100000E-04    0.975632E+00
  46    0.396972E-04    0.207388E+03 -0.191415E-06 0.100000E-04    0.994170E+00
  47   -0.263642E-04    0.203250E+03  0.129713E-06 0.100000E-04    0.993614E+00
  48    0.187391E-05    0.195980E+03 -0.956173E-08 0.100000E-04    0.760595E+00
  49    0.344831E-04    0.194747E+03 -0.177066E-06 0.100000E-04    0.994598E+00
  50    0.197399E-05    0.191292E+03 -0.103192E-07 0.109000E-04    0.138064E+00
  51   -0.166651E-04    0.182891E+03  0.911204E-07 0.100000E-04    0.986052E+00
  52    0.775542E-05    0.174062E+03 -0.445554E-07 0.100000E-04    0.964243E+00
  53    0.142081E-04    0.172319E+03 -0.824525E-07 0.100000E-04    0.990340E+00
  54    0.263132E-04    0.167996E+03 -0.156629E-06 0.100000E-04    0.997630E+00
  55   -0.268798E-04    0.163612E+03  0.164290E-06 0.100000E-04    0.991526E+00
  56   -0.123871E-04    0.157217E+03  0.787895E-07 0.100000E-04    0.952447E+00
  57   -0.157902E-04    0.154690E+03  0.102076E-06 0.100000E-04    0.980446E+00
  58    0.295994E-04    0.152195E+03 -0.194484E-06 0.100000E-04    0.993978E+00
  59   -0.103042E-04    0.147118E+03  0.700402E-07 0.100000E-04    0.977921E+00
  60   -0.232576E-04    0.143513E+03  0.162060E-06 0.100000E-04    0.987234E+00
  61   -0.297723E-04    0.137783E+03  0.216082E-06 0.100000E-04    0.971114E+00
  62   -0.224795E-04    0.135900E+03  0.165412E-06 0.100000E-04    0.992150E+00
  63   -0.205530E-05    0.130440E+03  0.157566E-07 0.100000E-04    0.629576E+00
  64   -0.433198E-04    0.128695E+03  0.336607E-06 0.100000E-04    0.993531E+00
  65   -0.151077E-04    0.126745E+03  0.119198E-06 0.100000E-04    0.939941E+00
  66    0.338474E-05    0.124645E+03 -0.271549E-07 0.100000E-04    0.896096E+00
  67   -0.267148E-04    0.119954E+03  0.222709E-06 0.100000E-04    0.968059E+00
  68    0.575864E-05    0.118158E+03 -0.487369E-07 0.100000E-04    0.955232E+00
  69   -0.875388E-05    0.117065E+03  0.747781E-07 0.100000E-04    0.984777E+00
  70    0.384834E-04    0.110351E+03 -0.348737E-06 0.100000E-04    0.987470E+00
  71    0.731278E-05    0.107025E+03 -0.683281E-07 0.100000E-04    0.976500E+00
  72   -0.860039E-04    0.104405E+03  0.823753E-06 0.100000E-04    0.997057E+00
  73   -0.229692E-04    0.102906E+03  0.223207E-06 0.100000E-04    0.979805E+00
  74    0.162545E-04    0.996208E+02 -0.163163E-06 0.100000E-04    0.983117E+00
  75    0.736312E-04    0.960397E+02 -0.766675E-06 0.100000E-04    0.989547E+00
  76   -0.221106E-05    0.941875E+02  0.234750E-07 0.100000E-04    0.775943E+00
  77    0.570042E-04    0.924986E+02 -0.616271E-06 0.100000E-04    0.994399E+00
  78    0.174078E-04    0.910547E+02 -0.191179E-06 0.100000E-04    0.977012E+00
  79   -0.534861E-05    0.887519E+02  0.602648E-07 0.100000E-04    0.981541E+00
  80   -0.182467E-04    0.854452E+02  0.213548E-06 0.100000E-04    0.999179E+00
  81    0.347318E-04    0.808332E+02 -0.429672E-06 0.100000E-04    0.989570E+00
  82   -0.263944E-04    0.802111E+02  0.329062E-06 0.100000E-04    0.980489E+00
  83    0.108461E-04    0.780724E+02 -0.138923E-06 0.100000E-04    0.976615E+00
  84   -0.541987E-04    0.732953E+02  0.739456E-06 0.100000E-04    0.982443E+00
  85    0.205952E-05    0.727525E+02 -0.283087E-07 0.100000E-04    0.603984E+00
  86   -0.200199E-04    0.681024E+02  0.293968E-06 0.100000E-04    0.973110E+00
  87   -0.438820E-04    0.650591E+02  0.674494E-06 0.100000E-04    0.981638E+00
  88    0.266209E-04    0.618203E+02 -0.430617E-06 0.100000E-04    0.972235E+00
  89    0.241180E-04    0.599575E+02 -0.402252E-06 0.100000E-04    0.946131E+00
  90    0.441208E-04    0.593912E+02 -0.742884E-06 0.100000E-04    0.996630E+00
  91    0.471228E-04    0.584056E+02 -0.806820E-06 0.100000E-04    0.960181E+00
  92   -0.662309E-04    0.559803E+02  0.118311E-05 0.100000E-04    0.986783E+00
  93    0.423682E-04    0.525254E+02 -0.806623E-06 0.100000E-04    0.966141E+00
  94   -0.525467E-04    0.522135E+02  0.100638E-05 0.100000E-04    0.995587E+00
  95    0.706788E-05    0.500480E+02 -0.141222E-06 0.100000E-04    0.817123E+00
  96   -0.133372E-04    0.465372E+02  0.286592E-06 0.100000E-04    0.955427E+00
  97    0.188173E-04    0.431144E+02 -0.436451E-06 0.100000E-04    0.886490E+00
  98    0.539360E-04    0.408187E+02 -0.132136E-05 0.100000E-04    0.984838E+00
  99    0.938749E-04    0.379028E+02 -0.247673E-05 0.100000E-04    0.977030E+00
 100    0.659667E-04    0.364348E+02 -0.181054E-05 0.100000E-04    0.979534E+00
 101   -0.243852E-04    0.326929E+02  0.745887E-06 0.100000E-04    0.734934E+00
 102    0.108763E-03    0.288024E+02 -0.377616E-05 0.100000E-04    0.990183E+00
 103    0.576622E-04    0.284627E+02 -0.202589E-05 0.100000E-04    0.987990E+00
 104    0.153808E-03    0.263655E+02 -0.583368E-05 0.100000E-04    0.999549E+00
 105    0.603503E-04    0.232802E+02 -0.259234E-05 0.100000E-04    0.954020E+00
 106   -0.274124E-04    0.212293E+02  0.129125E-05 0.100000E-04    0.876497E+00
 107   -0.109609E-03    0.200634E+02  0.546316E-05 0.100000E-04    0.910858E+00
 108   -0.783744E-04    0.165907E+02  0.472400E-05 0.100000E-04    0.854704E+00
 109    0.852970E-04    0.138761E+02 -0.614703E-05 0.100000E-04    0.971840E+00
 110   -0.151351E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.949996E+00
 111    0.774123E-04    0.100843E+02 -0.767653E-05 0.100000E-04    0.972746E+00
 112    0.258053E-01    0.856245E+01 -0.333418E-04 0.333418E-04    0.407062E-01
 113   -0.528124E-01    0.588743E+01  0.121473E-03 0.121473E-03    0.204942E+00
 114   -0.884604E+00    0.337162E+01 -0.400000E-03 0.400000E-03    0.741508E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2464342935    

 Beginning of optimization cycle  485.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3086834099
 potential> RMS force:                                               0.0831665380   |gradient|=.8879756342    
 Eigenvalues of the Hessian matrix:
   743.86586    674.58659    629.39715    601.72630    586.82193    577.93742 
   566.41148    487.03658    461.41903    460.23916    441.81640    428.83079 
   422.07821    408.49804    396.60934    388.03896    369.58198    360.57549 
   349.60638    335.03566    328.58820    321.88319    319.02579    310.00547 
   301.34215    290.23872    278.40054    272.25951    268.14911    264.78433 
   262.91496    253.47707    241.53428    240.29281    233.73937    227.50334 
   217.13324    214.81271    213.26601    207.39371    203.24419    195.96597 
   194.74554    191.29147    182.88491    174.06422    172.31784    168.00153 
   163.60122    157.20532    154.69496    152.19891    147.10586    143.51179 
   137.78942    135.89872    130.43837    128.69874    126.75005    124.63460 
   119.95484    118.15823    117.06208    110.34859    107.02029    104.40419 
   102.90293     99.61913     96.04426     94.18863     92.48029     91.05819 
    88.74355     85.44849     80.83234     80.21599     78.06983     73.29892 
    72.75239     68.09973     65.05171     61.80557     59.95599     59.39176 
    58.39687     55.97850     52.52439     52.21068     50.04990     46.52814 
    43.11919     40.82177     37.90387     36.43360     32.67969     28.80343 
    28.46172     26.35999     23.28163     21.23335     20.05495     16.58757 
    13.87682     12.23899     10.08493      8.56701      5.87989      3.36572 
overlap for current and previous eigenvector    109 is        -0.9999996422
overlap for current and previous eigenvector    110 is        -0.9999998025
overlap for current and previous eigenvector    111 is        -0.9999995501
overlap for current and previous eigenvector    112 is        -0.9999993284
overlap for current and previous eigenvector    113 is         0.9999980411
overlap for current and previous eigenvector    114 is         0.9999985847
J1,K1,R1,R2,RAT=   7   7   -0.2554600735E-02     2.002339983        0.9974453993    
FOB,PFOB,DIAG,PSTEP=   -0.9490739809E-05   -0.9466553948E-05     743.8658617        0.1272752305E-07
J1,K1,R1,R2,RAT=   8   8    0.1594970572E-01     1.984050225        0.9840502245    
FOB,PFOB,DIAG,PSTEP=   -0.9542177500E-05   -0.9696839237E-05     674.5865939        0.1437449197E-07
J1,K1,R1,R2,RAT=   9   9    0.3450679815E-01     1.965407124        0.9654071235    
FOB,PFOB,DIAG,PSTEP=   -0.6806538405E-05   -0.7049815434E-05     629.3971521        0.1120138349E-07
J1,K1,R1,R2,RAT=  10  10   -0.6700912495E-01     2.067096782        0.9329908750    
FOB,PFOB,DIAG,PSTEP=    0.3284045533E-05    0.3077813015E-05     601.7263028       -0.5114747535E-08
J1,K1,R1,R2,RAT=  11  11   -0.4617246230E-01     2.046203843        0.9538275377    
FOB,PFOB,DIAG,PSTEP=   -0.2445117924E-05   -0.2337205102E-05     586.8219275        0.3982755793E-08
J1,K1,R1,R2,RAT= 109 109     1.982388982        0.1750906955E-01    0.9823889820    
FOB,PFOB,DIAG,PSTEP=   -0.8380341759E-04    0.8529696420E-04     13.87682289       -0.6147034740E-05
J1,K1,R1,R2,RAT= 110 110     247.3560969       -0.2953688498E-01    0.9704631150    
FOB,PFOB,DIAG,PSTEP=    0.1513875731E-01   -0.1513514229E-01     12.23899470        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.998284110        0.1588489404E-02    0.9982841104    
FOB,PFOB,DIAG,PSTEP=   -0.7728929884E-04    0.7741227525E-04     10.08492654       -0.7676526591E-05
J1,K1,R1,R2,RAT= 112 112     181.4101874       -0.7262057080        0.2737942920    
FOB,PFOB,DIAG,PSTEP=   -0.2601270140E-01    0.2580526814E-01     8.567008175       -0.3334183809E-04
J1,K1,R1,R2,RAT= 113 113   -0.8670090967         148.7492869        0.1329909033    
FOB,PFOB,DIAG,PSTEP=   -0.5343162488E-01   -0.5281236473E-01     5.879893104        0.1214730812E-03
J1,K1,R1,R2,RAT= 114 114    0.9293235919        -1315.067391        0.7067640805E-01
FOB,PFOB,DIAG,PSTEP=   -0.8858553974       -0.8846042600         3.365720398       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003      0.00001      0.00002     -0.00003     -0.00001     -0.00002 
    -0.00003     -0.00002     -0.00000     -0.00004     -0.00002      0.00000 
    -0.00003      0.00001     -0.00001      0.00004      0.00001     -0.00009 
    -0.00002      0.00002      0.00007     -0.00000      0.00006     -0.00002 
    -0.00001     -0.00002     -0.00003      0.00003      0.00001     -0.00006 
     0.00000     -0.00002     -0.00004      0.00003      0.00002      0.00004 
     0.00005     -0.00007      0.00004     -0.00005      0.00001     -0.00001 
     0.00002      0.00006      0.00010      0.00007     -0.00002     -0.00011 
    -0.00006     -0.00016     -0.00006     -0.00003      0.00010      0.00007 
    -0.00008      0.01514     -0.00008     -0.02601     -0.05343     -0.88586 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3912168722
 Log product of positive Hessian eigenvalues =          519.1573727976
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3657203976
 Unscaled step for mode    7=        0.0000000128
 Unscaled step for mode    8=        0.0000000141
 Unscaled step for mode    9=        0.0000000108
 Unscaled step for mode   10=       -0.0000000055
 Unscaled step for mode   11=        0.0000000042
 Unscaled step for mode   12=        0.0000000231
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=       -0.0000000153
 Unscaled step for mode   15=       -0.0000000038
 Unscaled step for mode   16=       -0.0000000125
 Unscaled step for mode   17=       -0.0000000015
 Unscaled step for mode   18=       -0.0000000054
 Unscaled step for mode   19=        0.0000000480
 Unscaled step for mode   20=       -0.0000000028
 Unscaled step for mode   21=       -0.0000000035
 Unscaled step for mode   22=        0.0000000383
 Unscaled step for mode   23=       -0.0000000153
 Unscaled step for mode   24=        0.0000000262
 Unscaled step for mode   25=        0.0000000693
 Unscaled step for mode   26=        0.0000001028
 Unscaled step for mode   27=        0.0000000464
 Unscaled step for mode   28=       -0.0000000262
 Unscaled step for mode   29=        0.0000001046
 Unscaled step for mode   30=        0.0000000842
 Unscaled step for mode   31=        0.0000000951
 Unscaled step for mode   32=        0.0000000593
 Unscaled step for mode   33=       -0.0000000521
 Unscaled step for mode   34=        0.0000000759
 Unscaled step for mode   35=       -0.0000001038
 Unscaled step for mode   36=       -0.0000001207
 Unscaled step for mode   37=       -0.0000000656
 Unscaled step for mode   38=       -0.0000000284
 Unscaled step for mode   39=        0.0000000869
 Unscaled step for mode   40=        0.0000001649
 Unscaled step for mode   41=        0.0000002169
 Unscaled step for mode   42=        0.0000001267
 Unscaled step for mode   43=        0.0000000797
 Unscaled step for mode   44=        0.0000002442
 Unscaled step for mode   45=       -0.0000000663
 Unscaled step for mode   46=       -0.0000001908
 Unscaled step for mode   47=        0.0000001282
 Unscaled step for mode   48=       -0.0000000117
 Unscaled step for mode   49=       -0.0000001752
 Unscaled step for mode   50=       -0.0000000045
 Unscaled step for mode   51=        0.0000000911
 Unscaled step for mode   52=       -0.0000000456
 Unscaled step for mode   53=       -0.0000000834
 Unscaled step for mode   54=        0.0000001565
 Unscaled step for mode   55=       -0.0000001642
 Unscaled step for mode   56=       -0.0000000781
 Unscaled step for mode   57=       -0.0000001044
 Unscaled step for mode   58=        0.0000001942
 Unscaled step for mode   59=        0.0000000704
 Unscaled step for mode   60=        0.0000001632
 Unscaled step for mode   61=        0.0000002233
 Unscaled step for mode   62=        0.0000001637
 Unscaled step for mode   63=        0.0000000223
 Unscaled step for mode   64=        0.0000003395
 Unscaled step for mode   65=        0.0000001257
 Unscaled step for mode   66=       -0.0000000290
 Unscaled step for mode   67=        0.0000002192
 Unscaled step for mode   68=       -0.0000000497
 Unscaled step for mode   69=        0.0000000780
 Unscaled step for mode   70=       -0.0000003427
 Unscaled step for mode   71=       -0.0000000656
 Unscaled step for mode   72=        0.0000008305
 Unscaled step for mode   73=        0.0000002245
 Unscaled step for mode   74=       -0.0000001660
 Unscaled step for mode   75=       -0.0000007695
 Unscaled step for mode   76=        0.0000000238
 Unscaled step for mode   77=       -0.0000006235
 Unscaled step for mode   78=        0.0000001911
 Unscaled step for mode   79=        0.0000000604
 Unscaled step for mode   80=        0.0000002098
 Unscaled step for mode   81=        0.0000004288
 Unscaled step for mode   82=       -0.0000003219
 Unscaled step for mode   83=       -0.0000001328
 Unscaled step for mode   84=        0.0000007580
 Unscaled step for mode   85=       -0.0000000421
 Unscaled step for mode   86=        0.0000003033
 Unscaled step for mode   87=        0.0000006892
 Unscaled step for mode   88=       -0.0000004325
 Unscaled step for mode   89=       -0.0000003898
 Unscaled step for mode   90=       -0.0000007374
 Unscaled step for mode   91=       -0.0000008338
 Unscaled step for mode   92=        0.0000011617
 Unscaled step for mode   93=       -0.0000008085
 Unscaled step for mode   94=        0.0000010140
 Unscaled step for mode   95=       -0.0000001171
 Unscaled step for mode   96=        0.0000003056
 Unscaled step for mode   97=       -0.0000004953
 Unscaled step for mode   98=       -0.0000013527
 Unscaled step for mode   99=       -0.0000025297
 Unscaled step for mode  100=       -0.0000018210
 Unscaled step for mode  101=        0.0000006507
 Unscaled step for mode  102=        0.0000038293
 Unscaled step for mode  103=        0.0000020051
 Unscaled step for mode  104=        0.0000059007
 Unscaled step for mode  105=        0.0000026683
 Unscaled step for mode  106=        0.0000013749
 Unscaled step for mode  107=       -0.0000049985
 Unscaled step for mode  108=       -0.0000042765
 Unscaled step for mode  109=        0.0000060391
 Unscaled step for mode  110=       -0.0012369263
 Unscaled step for mode  111=        0.0000076638
 Unscaled step for mode  112=        0.0030363531
 Unscaled step for mode  113=        0.0090864260
 Unscaled step for mode  114=       -0.2471254934
 Largest modulus ratio of non-zero e/values=           221.0123759    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.231694E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.206063E-14    0.100671E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.174828E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.411997E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.913062E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.631643E-15    0.974168E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.949074E-05    0.743866E+03  0.127587E-07 0.100000E-04    0.997445E+00
   8   -0.954218E-05    0.674587E+03  0.141452E-07 0.100000E-04    0.984050E+00
   9   -0.680654E-05    0.629397E+03  0.108144E-07 0.100000E-04    0.965407E+00
  10    0.328405E-05    0.601726E+03 -0.545771E-08 0.100000E-04    0.932991E+00
  11   -0.244512E-05    0.586822E+03  0.416671E-08 0.100000E-04    0.953828E+00
  12   -0.133788E-04    0.577937E+03  0.231493E-07 0.100000E-04    0.971935E+00
  13   -0.334004E-05    0.566411E+03  0.589685E-08 0.100000E-04    0.980092E+00
  14    0.743775E-05    0.487037E+03 -0.152714E-07 0.100000E-04    0.977978E+00
  15    0.176171E-05    0.461419E+03 -0.381803E-08 0.100000E-04    0.931683E+00
  16    0.573284E-05    0.460239E+03 -0.124562E-07 0.100000E-04    0.969492E+00
  17    0.684796E-06    0.441816E+03 -0.154996E-08 0.109000E-04    0.330290E-01
  18    0.233350E-05    0.428831E+03 -0.544153E-08 0.100000E-04    0.939200E+00
  19   -0.202764E-04    0.422078E+03  0.480395E-07 0.100000E-04    0.990719E+00
  20    0.115044E-05    0.408498E+03 -0.281627E-08 0.100000E-04    0.846802E+00
  21    0.138244E-05    0.396609E+03 -0.348565E-08 0.100000E-04    0.854501E+00
  22   -0.148726E-04    0.388039E+03  0.383276E-07 0.100000E-04    0.998499E+00
  23    0.565888E-05    0.369582E+03 -0.153116E-07 0.100000E-04    0.931383E+00
  24   -0.945198E-05    0.360575E+03  0.262136E-07 0.100000E-04    0.991472E+00
  25   -0.242269E-04    0.349606E+03  0.692978E-07 0.100000E-04    0.994022E+00
  26   -0.344456E-04    0.335036E+03  0.102812E-06 0.100000E-04    0.994697E+00
  27   -0.152602E-04    0.328588E+03  0.464416E-07 0.100000E-04    0.990897E+00
  28    0.842442E-05    0.321883E+03 -0.261723E-07 0.100000E-04    0.977831E+00
  29   -0.333586E-04    0.319026E+03  0.104564E-06 0.100000E-04    0.987746E+00
  30   -0.261079E-04    0.310005E+03  0.842175E-07 0.100000E-04    0.983766E+00
  31   -0.286438E-04    0.301342E+03  0.950539E-07 0.100000E-04    0.987593E+00
  32   -0.172168E-04    0.290239E+03  0.593194E-07 0.100000E-04    0.992297E+00
  33    0.144914E-04    0.278401E+03 -0.520523E-07 0.100000E-04    0.981578E+00
  34   -0.206698E-04    0.272260E+03  0.759193E-07 0.100000E-04    0.987225E+00
  35    0.278237E-04    0.268149E+03 -0.103762E-06 0.100000E-04    0.988248E+00
  36    0.319678E-04    0.264784E+03 -0.120731E-06 0.100000E-04    0.996596E+00
  37    0.172495E-04    0.262915E+03 -0.656085E-07 0.100000E-04    0.995539E+00
  38    0.720654E-05    0.253477E+03 -0.284307E-07 0.100000E-04    0.998097E+00
  39   -0.209898E-04    0.241534E+03  0.869020E-07 0.100000E-04    0.990820E+00
  40   -0.396241E-04    0.240293E+03  0.164899E-06 0.100000E-04    0.999810E+00
  41   -0.507092E-04    0.233739E+03  0.216948E-06 0.100000E-04    0.997003E+00
  42   -0.288135E-04    0.227503E+03  0.126651E-06 0.100000E-04    0.986144E+00
  43   -0.173069E-04    0.217133E+03  0.797065E-07 0.100000E-04    0.974388E+00
  44   -0.524474E-04    0.214813E+03  0.244154E-06 0.100000E-04    0.991438E+00
  45    0.141417E-04    0.213266E+03 -0.663101E-07 0.100000E-04    0.973640E+00
  46    0.395762E-04    0.207394E+03 -0.190826E-06 0.100000E-04    0.996897E+00
  47   -0.260477E-04    0.203244E+03  0.128160E-06 0.100000E-04    0.987994E+00
  48    0.228370E-05    0.195966E+03 -0.116535E-07 0.100000E-04    0.781303E+00
  49    0.341176E-04    0.194746E+03 -0.175190E-06 0.100000E-04    0.989399E+00
  50    0.865252E-06    0.191291E+03 -0.452321E-08 0.100000E-04    0.438327E+00
  51   -0.166628E-04    0.182885E+03  0.911108E-07 0.100000E-04    0.999863E+00
  52    0.793011E-05    0.174064E+03 -0.455585E-07 0.100000E-04    0.977475E+00
  53    0.143731E-04    0.172318E+03 -0.834102E-07 0.100000E-04    0.988392E+00
  54   -0.262903E-04    0.168002E+03  0.156488E-06 0.100000E-04    0.999069E+00
  55    0.268604E-04    0.163601E+03 -0.164182E-06 0.100000E-04    0.999276E+00
  56    0.122727E-04    0.157205E+03 -0.780683E-07 0.100000E-04    0.990769E+00
  57    0.161497E-04    0.154695E+03 -0.104397E-06 0.100000E-04    0.977232E+00
  58   -0.295501E-04    0.152199E+03  0.194154E-06 0.100000E-04    0.998275E+00
  59   -0.103542E-04    0.147106E+03  0.703860E-07 0.100000E-04    0.995146E+00
  60   -0.234208E-04    0.143512E+03  0.163198E-06 0.100000E-04    0.992981E+00
  61   -0.307730E-04    0.137789E+03  0.223334E-06 0.100000E-04    0.966390E+00
  62   -0.222445E-04    0.135899E+03  0.163684E-06 0.100000E-04    0.989544E+00
  63   -0.290298E-05    0.130438E+03  0.222556E-07 0.100000E-04    0.587559E+00
  64   -0.436903E-04    0.128699E+03  0.339477E-06 0.100000E-04    0.991448E+00
  65   -0.159345E-04    0.126750E+03  0.125716E-06 0.100000E-04    0.945281E+00
  66    0.361143E-05    0.124635E+03 -0.289761E-07 0.100000E-04    0.933020E+00
  67   -0.262882E-04    0.119955E+03  0.219151E-06 0.100000E-04    0.984017E+00
  68    0.587131E-05    0.118158E+03 -0.496902E-07 0.100000E-04    0.980436E+00
  69   -0.913266E-05    0.117062E+03  0.780155E-07 0.100000E-04    0.956729E+00
  70    0.378111E-04    0.110349E+03 -0.342651E-06 0.100000E-04    0.982530E+00
  71    0.702107E-05    0.107020E+03 -0.656051E-07 0.100000E-04    0.960108E+00
  72   -0.867040E-04    0.104404E+03  0.830465E-06 0.100000E-04    0.991860E+00
  73   -0.230995E-04    0.102903E+03  0.224478E-06 0.100000E-04    0.994328E+00
  74    0.165337E-04    0.996191E+02 -0.165969E-06 0.100000E-04    0.982822E+00
  75    0.739057E-04    0.960443E+02 -0.769496E-06 0.100000E-04    0.996273E+00
  76   -0.223794E-05    0.941886E+02  0.237602E-07 0.100000E-04    0.987840E+00
  77    0.576585E-04    0.924803E+02 -0.623468E-06 0.100000E-04    0.988521E+00
  78   -0.173975E-04    0.910582E+02  0.191059E-06 0.100000E-04    0.999331E+00
  79   -0.536262E-05    0.887435E+02  0.604283E-07 0.100000E-04    0.997381E+00
  80   -0.179236E-04    0.854485E+02  0.209760E-06 0.100000E-04    0.982220E+00
  81   -0.346629E-04    0.808323E+02  0.428825E-06 0.100000E-04    0.998018E+00
  82    0.258240E-04    0.802160E+02 -0.321931E-06 0.100000E-04    0.978268E+00
  83    0.103666E-04    0.780698E+02 -0.132786E-06 0.100000E-04    0.955787E+00
  84   -0.555573E-04    0.732989E+02  0.757955E-06 0.100000E-04    0.974934E+00
  85    0.306600E-05    0.727524E+02 -0.421429E-07 0.100000E-04    0.511307E+00
  86   -0.206573E-04    0.680997E+02  0.303339E-06 0.100000E-04    0.968163E+00
  87   -0.448336E-04    0.650517E+02  0.689199E-06 0.100000E-04    0.978313E+00
  88    0.267320E-04    0.618056E+02 -0.432517E-06 0.100000E-04    0.995826E+00
  89    0.233713E-04    0.599560E+02 -0.389807E-06 0.100000E-04    0.969035E+00
  90    0.437941E-04    0.593918E+02 -0.737376E-06 0.100000E-04    0.992577E+00
  91    0.486934E-04    0.583969E+02 -0.833836E-06 0.100000E-04    0.966664E+00
  92   -0.650301E-04    0.559785E+02  0.116170E-05 0.100000E-04    0.981868E+00
  93    0.424667E-04    0.525244E+02 -0.808514E-06 0.100000E-04    0.997674E+00
  94   -0.529439E-04    0.522107E+02  0.101404E-05 0.100000E-04    0.992441E+00
  95    0.586127E-05    0.500499E+02 -0.117108E-06 0.100000E-04    0.829213E+00
  96   -0.142206E-04    0.465281E+02  0.305635E-06 0.100000E-04    0.933747E+00
  97    0.213588E-04    0.431192E+02 -0.495343E-06 0.100000E-04    0.864956E+00
  98    0.552186E-04    0.408218E+02 -0.135267E-05 0.100000E-04    0.976223E+00
  99    0.958868E-04    0.379039E+02 -0.252974E-05 0.100000E-04    0.978569E+00
 100    0.663473E-04    0.364336E+02 -0.182105E-05 0.100000E-04    0.994229E+00
 101   -0.212639E-04    0.326797E+02  0.650678E-06 0.100000E-04    0.871949E+00
 102   -0.110297E-03    0.288034E+02  0.382930E-05 0.100000E-04    0.985895E+00
 103   -0.570682E-04    0.284617E+02  0.200509E-05 0.100000E-04    0.989699E+00
 104   -0.155543E-03    0.263600E+02  0.590071E-05 0.100000E-04    0.988718E+00
 105   -0.621225E-04    0.232816E+02  0.266831E-05 0.100000E-04    0.970636E+00
 106   -0.291932E-04    0.212334E+02  0.137487E-05 0.100000E-04    0.935050E+00
 107    0.100245E-03    0.200550E+02 -0.499851E-05 0.100000E-04    0.914529E+00
 108    0.709364E-04    0.165876E+02 -0.427648E-05 0.100000E-04    0.905078E+00
 109   -0.838034E-04    0.138768E+02  0.603909E-05 0.100000E-04    0.982389E+00
 110    0.151388E-01    0.122390E+02 -0.100000E-04 0.100000E-04    0.970463E+00
 111   -0.772893E-04    0.100849E+02  0.766384E-05 0.100000E-04    0.998284E+00
 112   -0.260127E-01    0.856701E+01  0.300377E-04 0.300377E-04    0.273794E+00
 113   -0.534316E-01    0.587989E+01  0.132406E-03 0.132406E-03    0.132991E+00
 114   -0.885855E+00    0.336572E+01 -0.400000E-03 0.400000E-03    0.706764E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2471254934    

 Beginning of optimization cycle  486.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3083367525
 potential> RMS force:                                               0.0832869363   |gradient|=.8892611361    
 Eigenvalues of the Hessian matrix:
   743.94646    674.58539    629.42486    601.70020    586.81227    577.97607 
   566.38959    487.05988    461.39538    460.22834    441.81785    428.83291 
   422.07678    408.49245    396.60365    388.02733    369.59687    360.57078 
   349.59779    335.04023    328.60971    321.88642    319.01607    309.99272 
   301.32228    290.25063    278.40637    272.27391    268.15916    264.78636 
   262.94434    253.46866    241.53010    240.30757    233.73957    227.49755 
   217.12070    214.81696    213.26913    207.39959    203.23813    195.95180 
   194.74423    191.29130    182.87958    174.06643    172.31666    168.00694 
   163.58989    157.19313    154.69967    152.20322    147.09347    143.51077 
   137.79633    135.89762    130.43607    128.70227    126.75494    124.62342 
   119.95575    118.15851    117.05912    110.34666    107.01585    104.40326 
   102.90026     99.61735     96.04873     94.18947     92.46195     91.06186 
    88.73503     85.45195     80.83152     80.22116     78.06714     73.30227 
    72.75194     68.09676     65.04418     61.79073     59.95434     59.39220 
    58.38791     55.97646     52.52329     52.20761     50.05185     46.51883 
    43.12418     40.82481     37.90476     36.43173     32.66636     28.80442 
    28.46077     26.35455     23.28313     21.23720     20.04659     16.58432 
    13.87752     12.23898     10.08558      8.57194      5.87239      3.35982 
overlap for current and previous eigenvector    109 is        -0.9999996041
overlap for current and previous eigenvector    110 is        -0.9999997905
overlap for current and previous eigenvector    111 is        -0.9999994948
overlap for current and previous eigenvector    112 is         0.9999992257
overlap for current and previous eigenvector    113 is        -0.9999978288
overlap for current and previous eigenvector    114 is        -0.9999984310
J1,K1,R1,R2,RAT=   7   7   -0.3665835058E-02     2.003449160        0.9963341649    
FOB,PFOB,DIAG,PSTEP=   -0.9525535066E-05   -0.9490739809E-05     743.9464591        0.1275867102E-07
J1,K1,R1,R2,RAT=   8   8   -0.1858085112E-01     2.018584407        0.9814191489    
FOB,PFOB,DIAG,PSTEP=   -0.9719478964E-05   -0.9542177500E-05     674.5853946        0.1414522255E-07
J1,K1,R1,R2,RAT=   9   9   -0.4111971533E-01     2.041031670        0.9588802847    
FOB,PFOB,DIAG,PSTEP=   -0.7086433648E-05   -0.6806538405E-05     629.4248609        0.1081437751E-07
J1,K1,R1,R2,RAT=  10  10    0.5199363329E-01     1.948093139        0.9480063667    
FOB,PFOB,DIAG,PSTEP=    0.3113303481E-05    0.3284045533E-05     601.7001973       -0.5457706465E-08
J1,K1,R1,R2,RAT=  11  11    0.3012571025E-02     1.997020345        0.9969874290    
FOB,PFOB,DIAG,PSTEP=   -0.2437751954E-05   -0.2445117924E-05     586.8122697        0.4166711926E-08
J1,K1,R1,R2,RAT= 109 109     2.005380311       -0.5481008114E-02    0.9945189919    
FOB,PFOB,DIAG,PSTEP=    0.8426276793E-04   -0.8380341759E-04     13.87752160        0.6039092541E-05
J1,K1,R1,R2,RAT= 110 110     247.3455232        0.4048919364E-01    0.9595108064    
FOB,PFOB,DIAG,PSTEP=   -0.1513380184E-01    0.1513875731E-01     12.23897597       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.996133149        0.3738056825E-02    0.9961331486    
FOB,PFOB,DIAG,PSTEP=    0.7700036844E-04   -0.7728929884E-04     10.08557602        0.7663843514E-05
J1,K1,R1,R2,RAT= 112 112   -0.9666923622         203.0217944        0.3330763776E-01
FOB,PFOB,DIAG,PSTEP=   -0.2626160657E-01   -0.2601270140E-01     8.571938979        0.3003769197E-04
J1,K1,R1,R2,RAT= 113 113     138.2604507       -0.8223483651        0.1776516349    
FOB,PFOB,DIAG,PSTEP=    0.5407103140E-01   -0.5343162488E-01     5.872387175        0.1324056585E-03
J1,K1,R1,R2,RAT= 114 114    -1319.233760        0.9245907438        0.7540925617E-01
FOB,PFOB,DIAG,PSTEP=    0.8870979795       -0.8858553974         3.359816567       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001      0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00002      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001      0.00003 
     0.00003      0.00001      0.00002      0.00003     -0.00001     -0.00002 
     0.00003      0.00002     -0.00000     -0.00004     -0.00002      0.00000 
    -0.00003     -0.00001      0.00001     -0.00004     -0.00001     -0.00009 
    -0.00002     -0.00002     -0.00007     -0.00000      0.00006      0.00002 
     0.00001     -0.00002     -0.00003     -0.00003      0.00001     -0.00005 
    -0.00000      0.00002      0.00004     -0.00003      0.00002      0.00004 
    -0.00005      0.00007      0.00004      0.00005     -0.00001      0.00001 
    -0.00002     -0.00005     -0.00009      0.00007     -0.00003      0.00011 
     0.00006     -0.00015     -0.00006      0.00003      0.00011     -0.00008 
     0.00008     -0.01513      0.00008     -0.02626      0.05407      0.88710 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3909419176
 Log product of positive Hessian eigenvalues =          519.1531119275
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3598165668
 Unscaled step for mode    7=        0.0000000128
 Unscaled step for mode    8=        0.0000000144
 Unscaled step for mode    9=        0.0000000113
 Unscaled step for mode   10=       -0.0000000052
 Unscaled step for mode   11=        0.0000000042
 Unscaled step for mode   12=        0.0000000238
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000157
 Unscaled step for mode   15=       -0.0000000037
 Unscaled step for mode   16=       -0.0000000120
 Unscaled step for mode   17=       -0.0000000007
 Unscaled step for mode   18=       -0.0000000052
 Unscaled step for mode   19=        0.0000000477
 Unscaled step for mode   20=       -0.0000000025
 Unscaled step for mode   21=       -0.0000000030
 Unscaled step for mode   22=        0.0000000384
 Unscaled step for mode   23=       -0.0000000163
 Unscaled step for mode   24=        0.0000000265
 Unscaled step for mode   25=        0.0000000691
 Unscaled step for mode   26=        0.0000001021
 Unscaled step for mode   27=        0.0000000460
 Unscaled step for mode   28=       -0.0000000255
 Unscaled step for mode   29=        0.0000001038
 Unscaled step for mode   30=        0.0000000853
 Unscaled step for mode   31=        0.0000000965
 Unscaled step for mode   32=        0.0000000601
 Unscaled step for mode   33=       -0.0000000510
 Unscaled step for mode   34=        0.0000000753
 Unscaled step for mode   35=       -0.0000001046
 Unscaled step for mode   36=       -0.0000001220
 Unscaled step for mode   37=       -0.0000000643
 Unscaled step for mode   38=       -0.0000000287
 Unscaled step for mode   39=        0.0000000865
 Unscaled step for mode   40=        0.0000001657
 Unscaled step for mode   41=        0.0000002173
 Unscaled step for mode   42=        0.0000001286
 Unscaled step for mode   43=        0.0000000795
 Unscaled step for mode   44=        0.0000002468
 Unscaled step for mode   45=       -0.0000000672
 Unscaled step for mode   46=       -0.0000001918
 Unscaled step for mode   47=        0.0000001288
 Unscaled step for mode   48=       -0.0000000092
 Unscaled step for mode   49=       -0.0000001769
 Unscaled step for mode   50=       -0.0000000100
 Unscaled step for mode   51=        0.0000000908
 Unscaled step for mode   52=       -0.0000000449
 Unscaled step for mode   53=       -0.0000000828
 Unscaled step for mode   54=       -0.0000001573
 Unscaled step for mode   55=       -0.0000001645
 Unscaled step for mode   56=       -0.0000000787
 Unscaled step for mode   57=       -0.0000001031
 Unscaled step for mode   58=       -0.0000001946
 Unscaled step for mode   59=        0.0000000702
 Unscaled step for mode   60=        0.0000001622
 Unscaled step for mode   61=       -0.0000002167
 Unscaled step for mode   62=       -0.0000001641
 Unscaled step for mode   63=        0.0000000134
 Unscaled step for mode   64=        0.0000003373
 Unscaled step for mode   65=        0.0000001190
 Unscaled step for mode   66=       -0.0000000250
 Unscaled step for mode   67=        0.0000002239
 Unscaled step for mode   68=        0.0000000483
 Unscaled step for mode   69=       -0.0000000759
 Unscaled step for mode   70=        0.0000003486
 Unscaled step for mode   71=        0.0000000664
 Unscaled step for mode   72=        0.0000008259
 Unscaled step for mode   73=        0.0000002208
 Unscaled step for mode   74=        0.0000001617
 Unscaled step for mode   75=        0.0000007623
 Unscaled step for mode   76=        0.0000000162
 Unscaled step for mode   77=       -0.0000006235
 Unscaled step for mode   78=       -0.0000001950
 Unscaled step for mode   79=       -0.0000000596
 Unscaled step for mode   80=        0.0000002122
 Unscaled step for mode   81=        0.0000004318
 Unscaled step for mode   82=        0.0000003290
 Unscaled step for mode   83=       -0.0000001387
 Unscaled step for mode   84=        0.0000007413
 Unscaled step for mode   85=        0.0000000230
 Unscaled step for mode   86=       -0.0000002974
 Unscaled step for mode   87=       -0.0000006796
 Unscaled step for mode   88=        0.0000004284
 Unscaled step for mode   89=       -0.0000004102
 Unscaled step for mode   90=       -0.0000007418
 Unscaled step for mode   91=        0.0000008149
 Unscaled step for mode   92=       -0.0000011815
 Unscaled step for mode   93=       -0.0000008235
 Unscaled step for mode   94=       -0.0000010045
 Unscaled step for mode   95=        0.0000001482
 Unscaled step for mode   96=       -0.0000003006
 Unscaled step for mode   97=        0.0000004403
 Unscaled step for mode   98=        0.0000013288
 Unscaled step for mode   99=        0.0000024732
 Unscaled step for mode  100=       -0.0000018097
 Unscaled step for mode  101=        0.0000007668
 Unscaled step for mode  102=       -0.0000037906
 Unscaled step for mode  103=       -0.0000020243
 Unscaled step for mode  104=        0.0000058374
 Unscaled step for mode  105=        0.0000026197
 Unscaled step for mode  106=       -0.0000013288
 Unscaled step for mode  107=       -0.0000054960
 Unscaled step for mode  108=        0.0000047563
 Unscaled step for mode  109=       -0.0000060719
 Unscaled step for mode  110=        0.0012365233
 Unscaled step for mode  111=       -0.0000076347
 Unscaled step for mode  112=        0.0030636429
 Unscaled step for mode  113=       -0.0092068943
 Unscaled step for mode  114=        0.2478166667
 Largest modulus ratio of non-zero e/values=           221.4247249    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.843509E-16    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.164230E-14    0.100671E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.226347E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.221963E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.737908E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.905038E-16    0.974170E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.952554E-05    0.743946E+03  0.128041E-07 0.100000E-04    0.996334E+00
   8   -0.971948E-05    0.674585E+03  0.144081E-07 0.100000E-04    0.981419E+00
   9   -0.708643E-05    0.629425E+03  0.112586E-07 0.100000E-04    0.958880E+00
  10    0.311330E-05    0.601700E+03 -0.517418E-08 0.100000E-04    0.948006E+00
  11   -0.243775E-05    0.586812E+03  0.415423E-08 0.100000E-04    0.996987E+00
  12   -0.137841E-04    0.577976E+03  0.238489E-07 0.100000E-04    0.969710E+00
  13   -0.342177E-05    0.566390E+03  0.604137E-08 0.100000E-04    0.975530E+00
  14    0.766590E-05    0.487060E+03 -0.157391E-07 0.100000E-04    0.969327E+00
  15    0.171979E-05    0.461395E+03 -0.372736E-08 0.100000E-04    0.976203E+00
  16    0.553407E-05    0.460228E+03 -0.120246E-07 0.100000E-04    0.965326E+00
  17    0.329687E-06    0.441818E+03 -0.746207E-09 0.100000E-04    0.481434E+00
  18    0.223228E-05    0.428833E+03 -0.520549E-08 0.100000E-04    0.956617E+00
  19   -0.201488E-04    0.422077E+03  0.477372E-07 0.100000E-04    0.993704E+00
  20    0.100470E-05    0.408492E+03 -0.245953E-08 0.100000E-04    0.873315E+00
  21    0.117096E-05    0.396604E+03 -0.295248E-08 0.100000E-04    0.847024E+00
  22   -0.149182E-04    0.388027E+03  0.384461E-07 0.100000E-04    0.996936E+00
  23    0.603274E-05    0.369597E+03 -0.163225E-07 0.100000E-04    0.933935E+00
  24   -0.955919E-05    0.360571E+03  0.265113E-07 0.100000E-04    0.988657E+00
  25   -0.241567E-04    0.349598E+03  0.690985E-07 0.100000E-04    0.997100E+00
  26   -0.342173E-04    0.335040E+03  0.102129E-06 0.100000E-04    0.993348E+00
  27   -0.151315E-04    0.328610E+03  0.460471E-07 0.100000E-04    0.991439E+00
  28    0.819942E-05    0.321886E+03 -0.254730E-07 0.100000E-04    0.973272E+00
  29   -0.330996E-04    0.319016E+03  0.103755E-06 0.100000E-04    0.992237E+00
  30   -0.264419E-04    0.309993E+03  0.852984E-07 0.100000E-04    0.987206E+00
  31   -0.290784E-04    0.301322E+03  0.965027E-07 0.100000E-04    0.984825E+00
  32   -0.174352E-04    0.290251E+03  0.600695E-07 0.100000E-04    0.987313E+00
  33    0.141901E-04    0.278406E+03 -0.509690E-07 0.100000E-04    0.979167E+00
  34   -0.205061E-04    0.272274E+03  0.753142E-07 0.100000E-04    0.991977E+00
  35    0.280606E-04    0.268159E+03 -0.104641E-06 0.100000E-04    0.991488E+00
  36    0.322958E-04    0.264786E+03 -0.121969E-06 0.100000E-04    0.989739E+00
  37    0.169188E-04    0.262944E+03 -0.643436E-07 0.100000E-04    0.980609E+00
  38    0.726636E-05    0.253469E+03 -0.286677E-07 0.100000E-04    0.991698E+00
  39   -0.208855E-04    0.241530E+03  0.864718E-07 0.100000E-04    0.995032E+00
  40   -0.398260E-04    0.240308E+03  0.165729E-06 0.100000E-04    0.994905E+00
  41   -0.507854E-04    0.233740E+03  0.217274E-06 0.100000E-04    0.998497E+00
  42   -0.292469E-04    0.227498E+03  0.128559E-06 0.100000E-04    0.984958E+00
  43   -0.172688E-04    0.217121E+03  0.795354E-07 0.100000E-04    0.997795E+00
  44   -0.530202E-04    0.214817E+03  0.246816E-06 0.100000E-04    0.989078E+00
  45    0.143308E-04    0.213269E+03 -0.671961E-07 0.100000E-04    0.986624E+00
  46    0.397724E-04    0.207400E+03 -0.191767E-06 0.100000E-04    0.995041E+00
  47   -0.261771E-04    0.203238E+03  0.128800E-06 0.100000E-04    0.995031E+00
  48    0.180301E-05    0.195952E+03 -0.920132E-08 0.100000E-04    0.789500E+00
  49    0.344585E-04    0.194744E+03 -0.176942E-06 0.100000E-04    0.990008E+00
  50    0.191850E-05    0.191291E+03 -0.100292E-07 0.100000E-04    0.217270E+00
  51   -0.166022E-04    0.182880E+03  0.907819E-07 0.100000E-04    0.996361E+00
  52    0.781374E-05    0.174066E+03 -0.448894E-07 0.100000E-04    0.985300E+00
  53    0.142688E-04    0.172317E+03 -0.828054E-07 0.100000E-04    0.992743E+00
  54    0.264211E-04    0.168007E+03 -0.157262E-06 0.100000E-04    0.995024E+00
  55    0.269168E-04    0.163590E+03 -0.164538E-06 0.100000E-04    0.997898E+00
  56    0.123780E-04    0.157193E+03 -0.787438E-07 0.100000E-04    0.991424E+00
  57    0.159469E-04    0.154700E+03 -0.103083E-06 0.100000E-04    0.987378E+00
  58    0.296246E-04    0.152203E+03 -0.194638E-06 0.100000E-04    0.997478E+00
  59   -0.103224E-04    0.147093E+03  0.701761E-07 0.100000E-04    0.996934E+00
  60   -0.232718E-04    0.143511E+03  0.162161E-06 0.100000E-04    0.993637E+00
  61    0.298650E-04    0.137796E+03 -0.216733E-06 0.100000E-04    0.970393E+00
  62    0.223070E-04    0.135898E+03 -0.164146E-06 0.100000E-04    0.997189E+00
  63   -0.175146E-05    0.130436E+03  0.134278E-07 0.100000E-04    0.603326E+00
  64   -0.434091E-04    0.128702E+03  0.337283E-06 0.100000E-04    0.993510E+00
  65   -0.150816E-04    0.126755E+03  0.118983E-06 0.100000E-04    0.946405E+00
  66    0.311366E-05    0.124623E+03 -0.249845E-07 0.100000E-04    0.862156E+00
  67   -0.268603E-04    0.119956E+03  0.223918E-06 0.100000E-04    0.978239E+00
  68   -0.570359E-05    0.118159E+03  0.482706E-07 0.100000E-04    0.971429E+00
  69    0.887939E-05    0.117059E+03 -0.758539E-07 0.100000E-04    0.972267E+00
  70   -0.384688E-04    0.110347E+03  0.348617E-06 0.100000E-04    0.982605E+00
  71   -0.710783E-05    0.107016E+03  0.664185E-07 0.100000E-04    0.987643E+00
  72   -0.862302E-04    0.104403E+03  0.825934E-06 0.100000E-04    0.994535E+00
  73   -0.227184E-04    0.102900E+03  0.220781E-06 0.100000E-04    0.983501E+00
  74   -0.161051E-04    0.996174E+02  0.161669E-06 0.100000E-04    0.974076E+00
  75   -0.732186E-04    0.960487E+02  0.762307E-06 0.100000E-04    0.990611E+00
  76   -0.152117E-05    0.941895E+02  0.161501E-07 0.100000E-04    0.679702E+00
  77    0.576530E-04    0.924620E+02 -0.623532E-06 0.100000E-04    0.999905E+00
  78    0.177580E-04    0.910619E+02 -0.195010E-06 0.100000E-04    0.979279E+00
  79    0.529123E-05    0.887350E+02 -0.596295E-07 0.100000E-04    0.986685E+00
  80   -0.181328E-04    0.854520E+02  0.212199E-06 0.100000E-04    0.988332E+00
  81   -0.349052E-04    0.808315E+02  0.431826E-06 0.100000E-04    0.993012E+00
  82   -0.263936E-04    0.802212E+02  0.329011E-06 0.100000E-04    0.977942E+00
  83    0.108276E-04    0.780671E+02 -0.138697E-06 0.100000E-04    0.955521E+00
  84   -0.543354E-04    0.733023E+02  0.741252E-06 0.100000E-04    0.977917E+00
  85   -0.167324E-05    0.727519E+02  0.229992E-07 0.100000E-04    0.545737E+00
  86    0.202548E-04    0.680968E+02 -0.297442E-06 0.100000E-04    0.980517E+00
  87    0.442019E-04    0.650442E+02 -0.679567E-06 0.100000E-04    0.985909E+00
  88   -0.264682E-04    0.617907E+02  0.428353E-06 0.100000E-04    0.990131E+00
  89    0.245907E-04    0.599543E+02 -0.410158E-06 0.100000E-04    0.947820E+00
  90    0.440591E-04    0.593922E+02 -0.741834E-06 0.100000E-04    0.993948E+00
  91   -0.475812E-04    0.583879E+02  0.814915E-06 0.100000E-04    0.977154E+00
  92    0.661370E-04    0.559765E+02 -0.118151E-05 0.100000E-04    0.982977E+00
  93    0.432549E-04    0.525233E+02 -0.823537E-06 0.100000E-04    0.981440E+00
  94    0.524421E-04    0.522076E+02 -0.100449E-05 0.100000E-04    0.990522E+00
  95   -0.741885E-05    0.500519E+02  0.148223E-06 0.100000E-04    0.734269E+00
  96    0.139832E-04    0.465188E+02 -0.300593E-06 0.100000E-04    0.983303E+00
  97   -0.189894E-04    0.431242E+02  0.440343E-06 0.100000E-04    0.888850E+00
  98   -0.542491E-04    0.408248E+02  0.132883E-05 0.100000E-04    0.982296E+00
  99   -0.937471E-04    0.379048E+02  0.247323E-05 0.100000E-04    0.977639E+00
 100    0.659303E-04    0.364317E+02 -0.180969E-05 0.100000E-04    0.993713E+00
 101   -0.250483E-04    0.326664E+02  0.766793E-06 0.100000E-04    0.821956E+00
 102    0.109185E-03    0.288044E+02 -0.379056E-05 0.100000E-04    0.989849E+00
 103    0.576139E-04    0.284608E+02 -0.202433E-05 0.100000E-04    0.990437E+00
 104   -0.153841E-03    0.263546E+02  0.583736E-05 0.100000E-04    0.989057E+00
 105   -0.609950E-04    0.232831E+02  0.261971E-05 0.100000E-04    0.981723E+00
 106    0.282203E-04    0.212372E+02 -0.132882E-05 0.100000E-04    0.966320E+00
 107    0.110175E-03    0.200466E+02 -0.549595E-05 0.100000E-04    0.900899E+00
 108   -0.788795E-04    0.165843E+02  0.475627E-05 0.100000E-04    0.888002E+00
 109    0.842628E-04    0.138775E+02 -0.607189E-05 0.100000E-04    0.994519E+00
 110   -0.151338E-01    0.122390E+02  0.100000E-04 0.100000E-04    0.959511E+00
 111    0.770004E-04    0.100856E+02 -0.763470E-05 0.100000E-04    0.996133E+00
 112   -0.262616E-01    0.857194E+01  0.327411E-04 0.327411E-04    0.333076E-01
 113    0.540710E-01    0.587239E+01 -0.144322E-03 0.144322E-03    0.177652E+00
 114    0.887098E+00    0.335982E+01  0.400000E-03 0.400000E-03    0.754093E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2478166667    

 Beginning of optimization cycle  487.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3079903957
 potential> RMS force:                                               0.0834066014   |gradient|=.8905388102    
 Eigenvalues of the Hessian matrix:
   744.02838    674.58333    629.45395    601.67330    586.80227    578.01479 
   566.36583    487.08267    461.37134    460.21717    441.81890    428.83589 
   422.07512    408.48600    396.59773    388.01510    369.61189    360.56628 
   349.58902    335.04518    328.63154    321.88944    319.00696    309.97958 
   301.30238    290.26247    278.41303    272.28843    268.16932    264.78857 
   262.97403    253.46005    241.52600    240.32266    233.74029    227.49208 
   217.10871    214.82121    213.27203    207.40569    203.23184    195.93734 
   194.74321    191.29136    182.87470    174.06908    172.31553    168.01249 
   163.57843    157.18093    154.70458    152.20739    147.08082    143.50951 
   137.80347    135.89653    130.43358    128.70589    126.75985    124.61171 
   119.95670    118.15883    117.05591    110.34488    107.01129    104.40246 
   102.89761     99.61550     96.05305     94.19009     92.44358     91.06564 
    88.72631     85.45557     80.83074     80.22667     78.06436     73.30545 
    72.75113     68.09361     65.03643     61.77572     59.95261     59.39267 
    58.37892     55.97430     52.52212     52.20433     50.05408     46.50932 
    43.12942     40.82785     37.90556     36.42959     32.65293     28.80555 
    28.45987     26.34929     23.28461     21.24105     20.03828     16.58102 
    13.87824     12.23895     10.08618      8.57760      5.86508      3.35389 
overlap for current and previous eigenvector    109 is         0.9999995566
overlap for current and previous eigenvector    110 is        -0.9999997906
overlap for current and previous eigenvector    111 is        -0.9999994436
overlap for current and previous eigenvector    112 is         0.9999990207
overlap for current and previous eigenvector    113 is        -0.9999974155
overlap for current and previous eigenvector    114 is        -0.9999981886
J1,K1,R1,R2,RAT=   7   7   -0.4635314279E-02     2.004415114        0.9953646857    
FOB,PFOB,DIAG,PSTEP=   -0.9569693776E-05   -0.9525535066E-05     744.0283766        0.1280405995E-07
J1,K1,R1,R2,RAT=   8   8   -0.1891714320E-01     2.018923256        0.9810828568    
FOB,PFOB,DIAG,PSTEP=   -0.9903343177E-05   -0.9719478964E-05     674.5833327        0.1440807797E-07
J1,K1,R1,R2,RAT=   9   9   -0.6148280957E-01     2.061390387        0.9385171904    
FOB,PFOB,DIAG,PSTEP=   -0.7522147634E-05   -0.7086433648E-05     629.4539489        0.1125858556E-07
J1,K1,R1,R2,RAT=  10  10    0.1713040847E-01     1.982958996        0.9828695915    
FOB,PFOB,DIAG,PSTEP=    0.3059973705E-05    0.3113303481E-05     601.6733012       -0.5174177266E-08
J1,K1,R1,R2,RAT=  11  11    0.3095835612E-01     1.969075737        0.9690416439    
FOB,PFOB,DIAG,PSTEP=   -0.2362284447E-05   -0.2437751954E-05     586.8022669        0.4154227986E-08
J1,K1,R1,R2,RAT= 109 109   -0.2879884529E-01     2.028695564        0.9712011547    
FOB,PFOB,DIAG,PSTEP=    0.8668956367E-04    0.8426276793E-04     13.87823828       -0.6071888797E-05
J1,K1,R1,R2,RAT= 110 110     247.2015154        0.1040446054        0.8959553946    
FOB,PFOB,DIAG,PSTEP=    0.1512106788E-01   -0.1513380184E-01     12.23894994        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.027733481       -0.2785278927E-01    0.9721472107    
FOB,PFOB,DIAG,PSTEP=   -0.7914517142E-04    0.7700036844E-04     10.08617771       -0.7634702100E-05
J1,K1,R1,R2,RAT= 112 112   -0.8965763061         187.9184379        0.1034236939    
FOB,PFOB,DIAG,PSTEP=   -0.2651340103E-01   -0.2626160657E-01     8.577601257        0.3274108425E-04
J1,K1,R1,R2,RAT= 113 113     128.5719856       -0.8141140854        0.1858859146    
FOB,PFOB,DIAG,PSTEP=   -0.5476014727E-01    0.5407103140E-01     5.865079972       -0.1443221678E-03
J1,K1,R1,R2,RAT= 114 114    -1323.410070        0.9178225857        0.8217741434E-01
FOB,PFOB,DIAG,PSTEP=   -0.8883292889        0.8870979795         3.353887259        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001     -0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00001      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003      0.00001     -0.00002     -0.00003     -0.00001      0.00002 
     0.00003     -0.00002      0.00000      0.00004     -0.00001      0.00000 
     0.00003     -0.00001     -0.00001      0.00004      0.00001     -0.00009 
    -0.00002      0.00002      0.00007     -0.00000     -0.00006      0.00002 
    -0.00001     -0.00002     -0.00004      0.00003      0.00001     -0.00005 
     0.00000     -0.00002     -0.00004     -0.00003     -0.00003      0.00004 
    -0.00005      0.00007      0.00004     -0.00005     -0.00001     -0.00001 
    -0.00002      0.00005      0.00009      0.00006      0.00003      0.00011 
    -0.00006     -0.00015     -0.00006     -0.00002      0.00012      0.00009 
     0.00009      0.01512     -0.00008     -0.02651     -0.05476     -0.88833 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3906639553
 Log product of positive Hessian eigenvalues =          519.1489371425
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3538872589
 Unscaled step for mode    7=        0.0000000129
 Unscaled step for mode    8=        0.0000000147
 Unscaled step for mode    9=        0.0000000120
 Unscaled step for mode   10=       -0.0000000051
 Unscaled step for mode   11=        0.0000000040
 Unscaled step for mode   12=        0.0000000248
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000163
 Unscaled step for mode   15=       -0.0000000032
 Unscaled step for mode   16=       -0.0000000115
 Unscaled step for mode   17=        0.0000000003
 Unscaled step for mode   18=       -0.0000000046
 Unscaled step for mode   19=        0.0000000474
 Unscaled step for mode   20=       -0.0000000018
 Unscaled step for mode   21=       -0.0000000022
 Unscaled step for mode   22=        0.0000000390
 Unscaled step for mode   23=       -0.0000000176
 Unscaled step for mode   24=        0.0000000271
 Unscaled step for mode   25=        0.0000000686
 Unscaled step for mode   26=        0.0000001011
 Unscaled step for mode   27=        0.0000000449
 Unscaled step for mode   28=       -0.0000000244
 Unscaled step for mode   29=        0.0000001027
 Unscaled step for mode   30=        0.0000000869
 Unscaled step for mode   31=        0.0000000978
 Unscaled step for mode   32=        0.0000000620
 Unscaled step for mode   33=       -0.0000000503
 Unscaled step for mode   34=        0.0000000749
 Unscaled step for mode   35=       -0.0000001058
 Unscaled step for mode   36=       -0.0000001240
 Unscaled step for mode   37=       -0.0000000627
 Unscaled step for mode   38=       -0.0000000288
 Unscaled step for mode   39=        0.0000000857
 Unscaled step for mode   40=        0.0000001676
 Unscaled step for mode   41=        0.0000002176
 Unscaled step for mode   42=        0.0000001318
 Unscaled step for mode   43=        0.0000000789
 Unscaled step for mode   44=        0.0000002504
 Unscaled step for mode   45=       -0.0000000689
 Unscaled step for mode   46=       -0.0000001929
 Unscaled step for mode   47=        0.0000001297
 Unscaled step for mode   48=       -0.0000000059
 Unscaled step for mode   49=       -0.0000001779
 Unscaled step for mode   50=       -0.0000000151
 Unscaled step for mode   51=        0.0000000894
 Unscaled step for mode   52=       -0.0000000430
 Unscaled step for mode   53=       -0.0000000820
 Unscaled step for mode   54=        0.0000001568
 Unscaled step for mode   55=       -0.0000001660
 Unscaled step for mode   56=       -0.0000000826
 Unscaled step for mode   57=        0.0000001009
 Unscaled step for mode   58=        0.0000001959
 Unscaled step for mode   59=        0.0000000717
 Unscaled step for mode   60=       -0.0000001599
 Unscaled step for mode   61=       -0.0000002098
 Unscaled step for mode   62=        0.0000001656
 Unscaled step for mode   63=       -0.0000000034
 Unscaled step for mode   64=       -0.0000003347
 Unscaled step for mode   65=        0.0000001108
 Unscaled step for mode   66=       -0.0000000215
 Unscaled step for mode   67=       -0.0000002312
 Unscaled step for mode   68=        0.0000000458
 Unscaled step for mode   69=        0.0000000746
 Unscaled step for mode   70=       -0.0000003532
 Unscaled step for mode   71=       -0.0000000682
 Unscaled step for mode   72=        0.0000008229
 Unscaled step for mode   73=        0.0000002159
 Unscaled step for mode   74=       -0.0000001588
 Unscaled step for mode   75=       -0.0000007535
 Unscaled step for mode   76=        0.0000000095
 Unscaled step for mode   77=        0.0000006271
 Unscaled step for mode   78=       -0.0000001901
 Unscaled step for mode   79=        0.0000000610
 Unscaled step for mode   80=        0.0000002122
 Unscaled step for mode   81=        0.0000004365
 Unscaled step for mode   82=       -0.0000003355
 Unscaled step for mode   83=       -0.0000001354
 Unscaled step for mode   84=        0.0000007268
 Unscaled step for mode   85=       -0.0000000033
 Unscaled step for mode   86=        0.0000002886
 Unscaled step for mode   87=        0.0000006658
 Unscaled step for mode   88=        0.0000004400
 Unscaled step for mode   89=        0.0000004321
 Unscaled step for mode   90=       -0.0000007454
 Unscaled step for mode   91=        0.0000007788
 Unscaled step for mode   92=       -0.0000011989
 Unscaled step for mode   93=       -0.0000008515
 Unscaled step for mode   94=        0.0000009998
 Unscaled step for mode   95=        0.0000001718
 Unscaled step for mode   96=        0.0000002859
 Unscaled step for mode   97=        0.0000003807
 Unscaled step for mode   98=       -0.0000013067
 Unscaled step for mode   99=       -0.0000024108
 Unscaled step for mode  100=       -0.0000017690
 Unscaled step for mode  101=       -0.0000009371
 Unscaled step for mode  102=       -0.0000037491
 Unscaled step for mode  103=        0.0000020497
 Unscaled step for mode  104=        0.0000058297
 Unscaled step for mode  105=        0.0000024832
 Unscaled step for mode  106=        0.0000011396
 Unscaled step for mode  107=       -0.0000059906
 Unscaled step for mode  108=       -0.0000054125
 Unscaled step for mode  109=       -0.0000062464
 Unscaled step for mode  110=       -0.0012354855
 Unscaled step for mode  111=        0.0000078469
 Unscaled step for mode  112=        0.0030909746
 Unscaled step for mode  113=        0.0093358274
 Unscaled step for mode  114=       -0.2485084241
 Largest modulus ratio of non-zero e/values=           221.8406044    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.950086E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.168496E-14    0.100671E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.115455E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.650521E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.393850E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.689065E-15    0.974173E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.956969E-05    0.744028E+03  0.128620E-07 0.100000E-04    0.995365E+00
   8   -0.990334E-05    0.674583E+03  0.146807E-07 0.100000E-04    0.981083E+00
   9   -0.752215E-05    0.629454E+03  0.119503E-07 0.100000E-04    0.938517E+00
  10    0.305997E-05    0.601673E+03 -0.508577E-08 0.100000E-04    0.982870E+00
  11   -0.236228E-05    0.586802E+03  0.402569E-08 0.100000E-04    0.969042E+00
  12   -0.143587E-04    0.578015E+03  0.248415E-07 0.100000E-04    0.958315E+00
  13   -0.339479E-05    0.566366E+03  0.599399E-08 0.100000E-04    0.992115E+00
  14    0.792779E-05    0.487083E+03 -0.162761E-07 0.100000E-04    0.965839E+00
  15    0.149777E-05    0.461371E+03 -0.324634E-08 0.100000E-04    0.870897E+00
  16    0.529387E-05    0.460217E+03 -0.115030E-07 0.100000E-04    0.956596E+00
  17   -0.120712E-06    0.441819E+03  0.273217E-09 0.100000E-04    0.366139E+00
  18    0.196652E-05    0.428836E+03 -0.458572E-08 0.100000E-04    0.880933E+00
  19   -0.200103E-04    0.422075E+03  0.474094E-07 0.100000E-04    0.993129E+00
  20    0.737036E-06    0.408486E+03 -0.180431E-08 0.100000E-04    0.733583E+00
  21    0.872883E-06    0.396598E+03 -0.220093E-08 0.100000E-04    0.745436E+00
  22   -0.151308E-04    0.388015E+03  0.389953E-07 0.100000E-04    0.985747E+00
  23    0.650752E-05    0.369612E+03 -0.176064E-07 0.100000E-04    0.921304E+00
  24   -0.975711E-05    0.360566E+03  0.270605E-07 0.100000E-04    0.979295E+00
  25   -0.239749E-04    0.349589E+03  0.685803E-07 0.100000E-04    0.992476E+00
  26   -0.338819E-04    0.335045E+03  0.101126E-06 0.100000E-04    0.990168E+00
  27   -0.147636E-04    0.328632E+03  0.449244E-07 0.100000E-04    0.975552E+00
  28    0.785062E-05    0.321889E+03 -0.243892E-07 0.100000E-04    0.957442E+00
  29   -0.327704E-04    0.319007E+03  0.102726E-06 0.100000E-04    0.990053E+00
  30   -0.269495E-04    0.309980E+03  0.869397E-07 0.100000E-04    0.980801E+00
  31   -0.294691E-04    0.301302E+03  0.978058E-07 0.100000E-04    0.986563E+00
  32   -0.179853E-04    0.290262E+03  0.619621E-07 0.100000E-04    0.968452E+00
  33    0.140013E-04    0.278413E+03 -0.502896E-07 0.100000E-04    0.986648E+00
  34   -0.203832E-04    0.272288E+03  0.748587E-07 0.100000E-04    0.993899E+00
  35    0.283590E-04    0.268169E+03 -0.105750E-06 0.100000E-04    0.989365E+00
  36    0.328451E-04    0.264789E+03 -0.124043E-06 0.100000E-04    0.982990E+00
  37    0.164759E-04    0.262974E+03 -0.626522E-07 0.100000E-04    0.973600E+00
  38    0.730066E-05    0.253460E+03 -0.288040E-07 0.100000E-04    0.995280E+00
  39   -0.207028E-04    0.241526E+03  0.857166E-07 0.100000E-04    0.991249E+00
  40   -0.402697E-04    0.240323E+03  0.167565E-06 0.100000E-04    0.988859E+00
  41   -0.508681E-04    0.233740E+03  0.217627E-06 0.100000E-04    0.998372E+00
  42   -0.299850E-04    0.227492E+03  0.131807E-06 0.100000E-04    0.974762E+00
  43   -0.171251E-04    0.217109E+03  0.788781E-07 0.100000E-04    0.991682E+00
  44   -0.537860E-04    0.214821E+03  0.250376E-06 0.100000E-04    0.985557E+00
  45    0.146887E-04    0.213272E+03 -0.688730E-07 0.100000E-04    0.975031E+00
  46    0.400075E-04    0.207406E+03 -0.192895E-06 0.100000E-04    0.994088E+00
  47   -0.263549E-04    0.203232E+03  0.129679E-06 0.100000E-04    0.993209E+00
  48    0.115185E-05    0.195937E+03 -0.587866E-08 0.100000E-04    0.638820E+00
  49    0.346487E-04    0.194743E+03 -0.177920E-06 0.100000E-04    0.994480E+00
  50    0.289271E-05    0.191291E+03 -0.151220E-07 0.100000E-04    0.492198E+00
  51   -0.163419E-04    0.182875E+03  0.893610E-07 0.100000E-04    0.984322E+00
  52    0.748725E-05    0.174069E+03 -0.430131E-07 0.100000E-04    0.958187E+00
  53    0.141300E-04    0.172316E+03 -0.820005E-07 0.100000E-04    0.990273E+00
  54   -0.263466E-04    0.168012E+03  0.156814E-06 0.100000E-04    0.997115E+00
  55    0.271485E-04    0.163578E+03 -0.165966E-06 0.100000E-04    0.991392E+00
  56    0.129795E-04    0.157181E+03 -0.825766E-07 0.100000E-04    0.951404E+00
  57   -0.156028E-04    0.154705E+03  0.100855E-06 0.100000E-04    0.978359E+00
  58   -0.298128E-04    0.152207E+03  0.195869E-06 0.100000E-04    0.993649E+00
  59   -0.105521E-04    0.147081E+03  0.717436E-07 0.100000E-04    0.977749E+00
  60    0.229429E-04    0.143510E+03 -0.159870E-06 0.100000E-04    0.985865E+00
  61    0.289084E-04    0.137803E+03 -0.209780E-06 0.100000E-04    0.967867E+00
  62   -0.225033E-04    0.135897E+03  0.165591E-06 0.100000E-04    0.991201E+00
  63    0.443000E-06    0.130434E+03 -0.339636E-08 0.100000E-04    0.252917E+00
  64    0.430723E-04    0.128706E+03 -0.334657E-06 0.100000E-04    0.992185E+00
  65   -0.140456E-04    0.126760E+03  0.110805E-06 0.100000E-04    0.931231E+00
  66    0.268122E-05    0.124612E+03 -0.215166E-07 0.100000E-04    0.861103E+00
  67    0.277347E-04    0.119957E+03 -0.231206E-06 0.100000E-04    0.967446E+00
  68   -0.541371E-05    0.118159E+03  0.458172E-07 0.100000E-04    0.949171E+00
  69   -0.873328E-05    0.117056E+03  0.746078E-07 0.100000E-04    0.983545E+00
  70    0.389706E-04    0.110345E+03 -0.353171E-06 0.100000E-04    0.986954E+00
  71    0.729372E-05    0.107011E+03 -0.681584E-07 0.100000E-04    0.973846E+00
  72   -0.859145E-04    0.104402E+03  0.822917E-06 0.100000E-04    0.996339E+00
  73   -0.222129E-04    0.102898E+03  0.215874E-06 0.100000E-04    0.977751E+00
  74    0.158182E-04    0.996155E+02 -0.158792E-06 0.100000E-04    0.982185E+00
  75    0.723776E-04    0.960531E+02 -0.753516E-06 0.100000E-04    0.988424E+00
  76   -0.890239E-06    0.941901E+02  0.945151E-08 0.100000E-04    0.585223E+00
  77   -0.579680E-04    0.924436E+02  0.627064E-06 0.100000E-04    0.994536E+00
  78    0.173158E-04    0.910656E+02 -0.190146E-06 0.100000E-04    0.975014E+00
  79   -0.541062E-05    0.887263E+02  0.609810E-07 0.100000E-04    0.977434E+00
  80   -0.181353E-04    0.854556E+02  0.212219E-06 0.100000E-04    0.999862E+00
  81   -0.352826E-04    0.808307E+02  0.436500E-06 0.100000E-04    0.989187E+00
  82    0.269181E-04    0.802267E+02 -0.335525E-06 0.100000E-04    0.980133E+00
  83    0.105677E-04    0.780644E+02 -0.135371E-06 0.100000E-04    0.975990E+00
  84   -0.532817E-04    0.733055E+02  0.726845E-06 0.100000E-04    0.980521E+00
  85    0.237210E-06    0.727511E+02 -0.326056E-08 0.109000E-04    0.141757E+00
  86   -0.196532E-04    0.680936E+02  0.288620E-06 0.100000E-04    0.970293E+00
  87   -0.433027E-04    0.650364E+02  0.665823E-06 0.100000E-04    0.979656E+00
  88   -0.271802E-04    0.617757E+02  0.439982E-06 0.100000E-04    0.973094E+00
  89   -0.259026E-04    0.599526E+02  0.432051E-06 0.100000E-04    0.946650E+00
  90    0.442740E-04    0.593927E+02 -0.745446E-06 0.100000E-04    0.995123E+00
  91   -0.454636E-04    0.583789E+02  0.778767E-06 0.100000E-04    0.955489E+00
  92    0.671052E-04    0.559743E+02 -0.119886E-05 0.100000E-04    0.985361E+00
  93    0.447208E-04    0.525221E+02 -0.851466E-06 0.100000E-04    0.966109E+00
  94   -0.521922E-04    0.522043E+02  0.999768E-06 0.100000E-04    0.995235E+00
  95   -0.860079E-05    0.500541E+02  0.171830E-06 0.100000E-04    0.840691E+00
  96   -0.132947E-04    0.465093E+02  0.285850E-06 0.100000E-04    0.950750E+00
  97   -0.164212E-04    0.431294E+02  0.380743E-06 0.100000E-04    0.864529E+00
  98    0.533500E-04    0.408279E+02 -0.130670E-05 0.100000E-04    0.983277E+00
  99    0.913839E-04    0.379056E+02 -0.241083E-05 0.100000E-04    0.974751E+00
 100    0.644455E-04    0.364296E+02 -0.176904E-05 0.100000E-04    0.977479E+00
 101    0.306000E-04    0.326529E+02 -0.937130E-06 0.100000E-04    0.778269E+00
 102    0.107995E-03    0.288056E+02 -0.374911E-05 0.100000E-04    0.989026E+00
 103   -0.583342E-04    0.284599E+02  0.204970E-05 0.100000E-04    0.987498E+00
 104   -0.153609E-03    0.263493E+02  0.582974E-05 0.100000E-04    0.998495E+00
 105   -0.578196E-04    0.232846E+02  0.248317E-05 0.100000E-04    0.947815E+00
 106   -0.242063E-04    0.212410E+02  0.113960E-05 0.100000E-04    0.857424E+00
 107    0.120041E-03    0.200383E+02 -0.599057E-05 0.100000E-04    0.910419E+00
 108    0.897448E-04    0.165810E+02 -0.541250E-05 0.100000E-04    0.862227E+00
 109    0.866896E-04    0.138782E+02 -0.624644E-05 0.100000E-04    0.971201E+00
 110    0.151211E-01    0.122389E+02 -0.100000E-04 0.100000E-04    0.895955E+00
 111   -0.791452E-04    0.100862E+02  0.784689E-05 0.100000E-04    0.972147E+00
 112   -0.265134E-01    0.857760E+01  0.356878E-04 0.356878E-04    0.103424E+00
 113   -0.547601E-01    0.586508E+01  0.157311E-03 0.157311E-03    0.185886E+00
 114   -0.888329E+00    0.335389E+01 -0.400000E-03 0.400000E-03    0.821774E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2485084241    

 Beginning of optimization cycle  488.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3076444317
 potential> RMS force:                                               0.0835254769   |gradient|=.8918080533    
 Eigenvalues of the Hessian matrix:
   744.11184    674.58033    629.48455    601.64554    586.79186    578.05359 
   566.34003    487.10495    461.34687    460.20564    441.81946    428.83980 
   422.07324    408.47862    396.59157    388.00223    369.62703    360.56201 
   349.58008    335.05054    328.65371    321.89224    318.99850    309.96597 
   301.28244    290.27427    278.42058    272.30308    268.17960    264.79100 
   263.00408    253.45121    241.52202    240.33812    233.74158    227.48698 
   217.09731    214.82545    213.27470    207.41205    203.22532    195.92257 
   194.74248    191.29167    182.87033    174.07223    172.31445    168.01819 
   163.56685    157.16871    154.70970    152.21141    147.06788    143.50798 
   137.81086    135.89546    130.43090    128.70961    126.76481    124.59944 
   119.95770    118.15919    117.05242    110.34326    107.00662    104.40180 
   102.89499     99.61359     96.05722     94.19049     92.42516     91.06956 
    88.71736     85.45935     80.82999     80.23256     78.06147     73.30843 
    72.74992     68.09026     65.02845     61.76053     59.95079     59.39317 
    58.36989     55.97201     52.52087     52.20082     50.05660     46.49961 
    43.13495     40.83090     37.90624     36.42712     32.63941     28.80683 
    28.45901     26.34421     23.28606     21.24488     20.03001     16.57765 
    13.87898     12.23892     10.08673      8.58407      5.85799      3.34793 
overlap for current and previous eigenvector    109 is         0.9999995000
overlap for current and previous eigenvector    110 is        -0.9999997904
overlap for current and previous eigenvector    111 is        -0.9999993818
overlap for current and previous eigenvector    112 is        -0.9999987564
overlap for current and previous eigenvector    113 is        -0.9999969074
overlap for current and previous eigenvector    114 is        -0.9999979002
J1,K1,R1,R2,RAT=   7   7   -0.4919892291E-02     2.004695558        0.9950801077    
FOB,PFOB,DIAG,PSTEP=   -0.9616780920E-05   -0.9569693776E-05     744.1118414        0.1286200107E-07
J1,K1,R1,R2,RAT=   8   8   -0.1980393982E-01     2.019812834        0.9801960602    
FOB,PFOB,DIAG,PSTEP=   -0.1009946752E-04   -0.9903343177E-05     674.5803326        0.1468068169E-07
J1,K1,R1,R2,RAT=   9   9   -0.6303134865E-01     2.062934117        0.9369686513    
FOB,PFOB,DIAG,PSTEP=   -0.7996301795E-05   -0.7522147634E-05     629.4845518        0.1195027475E-07
J1,K1,R1,R2,RAT=  10  10    0.1838391922E-01     1.981708353        0.9816160808    
FOB,PFOB,DIAG,PSTEP=    0.3003721991E-05    0.3059973705E-05     601.6455436       -0.5085772792E-08
J1,K1,R1,R2,RAT=  11  11    0.3234092736E-01     1.967694537        0.9676590726    
FOB,PFOB,DIAG,PSTEP=   -0.2285887332E-05   -0.2362284447E-05     586.7918617        0.4025690731E-08
J1,K1,R1,R2,RAT= 109 109   -0.3018744255E-01     2.030081081        0.9698125574    
FOB,PFOB,DIAG,PSTEP=    0.8930663907E-04    0.8668956367E-04     13.87897638       -0.6246438627E-05
J1,K1,R1,R2,RAT= 110 110     246.9248507        0.1731584903        0.8268415097    
FOB,PFOB,DIAG,PSTEP=   -0.1509987514E-01    0.1512106788E-01     12.23892327       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.026532052       -0.2664160905E-01    0.9733583909    
FOB,PFOB,DIAG,PSTEP=    0.8125384165E-04   -0.7914517142E-04     10.08673024        0.7846894406E-05
J1,K1,R1,R2,RAT= 112 112     173.9281217       -0.8338506905        0.1661493095    
FOB,PFOB,DIAG,PSTEP=    0.2676884816E-01   -0.2651340103E-01     8.584068748        0.3568778183E-04
J1,K1,R1,R2,RAT= 113 113     119.6542673       -0.8077131086        0.1922868914    
FOB,PFOB,DIAG,PSTEP=    0.5550447661E-01   -0.5476014727E-01     5.857987858        0.1573111629E-03
J1,K1,R1,R2,RAT= 114 114    -1327.595390        0.9102436418        0.8975635816E-01
FOB,PFOB,DIAG,PSTEP=    0.8895482610       -0.8883292889         3.347928072       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001      0.00000      0.00001     -0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00005      0.00002      0.00004     -0.00003      0.00000 
     0.00003      0.00000     -0.00002      0.00001      0.00001     -0.00003 
     0.00003      0.00001      0.00002      0.00003      0.00001      0.00002 
    -0.00003     -0.00002     -0.00000      0.00004      0.00001     -0.00000 
    -0.00003     -0.00001      0.00001     -0.00004     -0.00001      0.00009 
    -0.00002      0.00002      0.00007     -0.00000     -0.00006      0.00002 
    -0.00001      0.00002      0.00004     -0.00003      0.00001     -0.00005 
    -0.00000      0.00002     -0.00004     -0.00003      0.00003      0.00004 
    -0.00004      0.00007     -0.00005     -0.00005      0.00001     -0.00001 
     0.00001      0.00005      0.00009     -0.00006     -0.00004     -0.00011 
    -0.00006      0.00015      0.00005      0.00002      0.00013     -0.00010 
     0.00009     -0.01510      0.00008      0.02677      0.05550      0.88955 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3903838266
 Log product of positive Hessian eigenvalues =          519.1448574226
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3479280719
 Unscaled step for mode    7=        0.0000000129
 Unscaled step for mode    8=        0.0000000150
 Unscaled step for mode    9=        0.0000000127
 Unscaled step for mode   10=       -0.0000000050
 Unscaled step for mode   11=        0.0000000039
 Unscaled step for mode   12=        0.0000000259
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000169
 Unscaled step for mode   15=       -0.0000000027
 Unscaled step for mode   16=       -0.0000000109
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=       -0.0000000039
 Unscaled step for mode   19=        0.0000000470
 Unscaled step for mode   20=       -0.0000000011
 Unscaled step for mode   21=       -0.0000000014
 Unscaled step for mode   22=        0.0000000396
 Unscaled step for mode   23=       -0.0000000190
 Unscaled step for mode   24=        0.0000000276
 Unscaled step for mode   25=        0.0000000680
 Unscaled step for mode   26=        0.0000001000
 Unscaled step for mode   27=        0.0000000437
 Unscaled step for mode   28=       -0.0000000232
 Unscaled step for mode   29=        0.0000001015
 Unscaled step for mode   30=        0.0000000888
 Unscaled step for mode   31=        0.0000000992
 Unscaled step for mode   32=        0.0000000641
 Unscaled step for mode   33=       -0.0000000495
 Unscaled step for mode   34=        0.0000000743
 Unscaled step for mode   35=       -0.0000001070
 Unscaled step for mode   36=       -0.0000001264
 Unscaled step for mode   37=       -0.0000000608
 Unscaled step for mode   38=       -0.0000000289
 Unscaled step for mode   39=        0.0000000849
 Unscaled step for mode   40=        0.0000001694
 Unscaled step for mode   41=        0.0000002180
 Unscaled step for mode   42=        0.0000001354
 Unscaled step for mode   43=        0.0000000782
 Unscaled step for mode   44=        0.0000002542
 Unscaled step for mode   45=       -0.0000000706
 Unscaled step for mode   46=       -0.0000001941
 Unscaled step for mode   47=        0.0000001307
 Unscaled step for mode   48=       -0.0000000021
 Unscaled step for mode   49=       -0.0000001790
 Unscaled step for mode   50=       -0.0000000207
 Unscaled step for mode   51=        0.0000000878
 Unscaled step for mode   52=       -0.0000000408
 Unscaled step for mode   53=       -0.0000000811
 Unscaled step for mode   54=        0.0000001563
 Unscaled step for mode   55=       -0.0000001675
 Unscaled step for mode   56=       -0.0000000868
 Unscaled step for mode   57=       -0.0000000985
 Unscaled step for mode   58=       -0.0000001972
 Unscaled step for mode   59=       -0.0000000734
 Unscaled step for mode   60=       -0.0000001573
 Unscaled step for mode   61=        0.0000002021
 Unscaled step for mode   62=        0.0000001671
 Unscaled step for mode   63=        0.0000000076
 Unscaled step for mode   64=       -0.0000003316
 Unscaled step for mode   65=       -0.0000001018
 Unscaled step for mode   66=        0.0000000176
 Unscaled step for mode   67=        0.0000002392
 Unscaled step for mode   68=        0.0000000431
 Unscaled step for mode   69=       -0.0000000733
 Unscaled step for mode   70=        0.0000003580
 Unscaled step for mode   71=        0.0000000701
 Unscaled step for mode   72=       -0.0000008193
 Unscaled step for mode   73=        0.0000002108
 Unscaled step for mode   74=       -0.0000001559
 Unscaled step for mode   75=       -0.0000007441
 Unscaled step for mode   76=        0.0000000027
 Unscaled step for mode   77=        0.0000006310
 Unscaled step for mode   78=       -0.0000001848
 Unscaled step for mode   79=        0.0000000627
 Unscaled step for mode   80=       -0.0000002123
 Unscaled step for mode   81=       -0.0000004416
 Unscaled step for mode   82=        0.0000003426
 Unscaled step for mode   83=       -0.0000001320
 Unscaled step for mode   84=        0.0000007112
 Unscaled step for mode   85=        0.0000000182
 Unscaled step for mode   86=       -0.0000002790
 Unscaled step for mode   87=        0.0000006499
 Unscaled step for mode   88=        0.0000004524
 Unscaled step for mode   89=       -0.0000004557
 Unscaled step for mode   90=       -0.0000007501
 Unscaled step for mode   91=        0.0000007385
 Unscaled step for mode   92=       -0.0000012183
 Unscaled step for mode   93=        0.0000008819
 Unscaled step for mode   94=        0.0000009942
 Unscaled step for mode   95=       -0.0000001980
 Unscaled step for mode   96=        0.0000002694
 Unscaled step for mode   97=       -0.0000003160
 Unscaled step for mode   98=       -0.0000012832
 Unscaled step for mode   99=       -0.0000023423
 Unscaled step for mode  100=        0.0000017254
 Unscaled step for mode  101=        0.0000011273
 Unscaled step for mode  102=        0.0000037027
 Unscaled step for mode  103=        0.0000020792
 Unscaled step for mode  104=       -0.0000058158
 Unscaled step for mode  105=       -0.0000023324
 Unscaled step for mode  106=       -0.0000009402
 Unscaled step for mode  107=       -0.0000065450
 Unscaled step for mode  108=        0.0000061467
 Unscaled step for mode  109=       -0.0000064347
 Unscaled step for mode  110=        0.0012337566
 Unscaled step for mode  111=       -0.0000080555
 Unscaled step for mode  112=       -0.0031184032
 Unscaled step for mode  113=       -0.0094741566
 Unscaled step for mode  114=        0.2492008095
 Largest modulus ratio of non-zero e/values=           222.2604027    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.964723E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.126705E-14    0.100670E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.511743E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.365472E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.307263E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.235760E-15    0.974175E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.961678E-05    0.744112E+03  0.129238E-07 0.100000E-04    0.995080E+00
   8   -0.100995E-04    0.674580E+03  0.149715E-07 0.100000E-04    0.980196E+00
   9   -0.799630E-05    0.629485E+03  0.127029E-07 0.100000E-04    0.936969E+00
  10    0.300372E-05    0.601646E+03 -0.499251E-08 0.100000E-04    0.981616E+00
  11   -0.228589E-05    0.586792E+03  0.389557E-08 0.100000E-04    0.967659E+00
  12   -0.149887E-04    0.578054E+03  0.259295E-07 0.100000E-04    0.956132E+00
  13   -0.337062E-05    0.566340E+03  0.595159E-08 0.100000E-04    0.992880E+00
  14    0.821696E-05    0.487105E+03 -0.168690E-07 0.100000E-04    0.963527E+00
  15    0.124474E-05    0.461347E+03 -0.269807E-08 0.100000E-04    0.831056E+00
  16    0.502261E-05    0.460206E+03 -0.109138E-07 0.100000E-04    0.948757E+00
  17   -0.610404E-06    0.441819E+03  0.138157E-08 0.100000E-04    0.305667E+01
  18    0.167642E-05    0.428840E+03 -0.390921E-08 0.100000E-04    0.852464E+00
  19   -0.198490E-04    0.422073E+03  0.470274E-07 0.100000E-04    0.991938E+00
  20    0.454599E-06    0.408479E+03 -0.111291E-08 0.100000E-04    0.616786E+00
  21    0.555211E-06    0.396592E+03 -0.139996E-08 0.100000E-04    0.636060E+00
  22   -0.153605E-04    0.388002E+03  0.395886E-07 0.100000E-04    0.984820E+00
  23    0.702379E-05    0.369627E+03 -0.190024E-07 0.100000E-04    0.920669E+00
  24   -0.995265E-05    0.360562E+03  0.276032E-07 0.100000E-04    0.979959E+00
  25   -0.237702E-04    0.349580E+03  0.679965E-07 0.100000E-04    0.991462E+00
  26   -0.335069E-04    0.335051E+03  0.100006E-06 0.100000E-04    0.988899E+00
  27   -0.143639E-04    0.328654E+03  0.437054E-07 0.100000E-04    0.972798E+00
  28    0.746054E-05    0.321892E+03 -0.231771E-07 0.100000E-04    0.950295E+00
  29   -0.323804E-04    0.318999E+03  0.101506E-06 0.100000E-04    0.988099E+00
  30   -0.275296E-04    0.309966E+03  0.888148E-07 0.100000E-04    0.978476E+00
  31   -0.298980E-04    0.301282E+03  0.992356E-07 0.100000E-04    0.985447E+00
  32   -0.185990E-04    0.290274E+03  0.640738E-07 0.100000E-04    0.965878E+00
  33    0.137747E-04    0.278421E+03 -0.494744E-07 0.100000E-04    0.983763E+00
  34   -0.202284E-04    0.272303E+03  0.742863E-07 0.100000E-04    0.992299E+00
  35    0.286845E-04    0.268180E+03 -0.106960E-06 0.100000E-04    0.988522E+00
  36    0.334601E-04    0.264791E+03 -0.126364E-06 0.100000E-04    0.981277E+00
  37    0.159823E-04    0.263004E+03 -0.607682E-07 0.100000E-04    0.969815E+00
  38    0.732581E-05    0.253451E+03 -0.289042E-07 0.100000E-04    0.996555E+00
  39   -0.205115E-04    0.241522E+03  0.849259E-07 0.100000E-04    0.990760E+00
  40   -0.407231E-04    0.240338E+03  0.169441E-06 0.100000E-04    0.988742E+00
  41   -0.509551E-04    0.233742E+03  0.217998E-06 0.100000E-04    0.998289E+00
  42   -0.307950E-04    0.227487E+03  0.135371E-06 0.100000E-04    0.972984E+00
  43   -0.169807E-04    0.217097E+03  0.782168E-07 0.100000E-04    0.991563E+00
  44   -0.546026E-04    0.214825E+03  0.254172E-06 0.100000E-04    0.984818E+00
  45    0.150531E-04    0.213275E+03 -0.705807E-07 0.100000E-04    0.975192E+00
  46    0.402620E-04    0.207412E+03 -0.194116E-06 0.100000E-04    0.993640E+00
  47   -0.265553E-04    0.203225E+03  0.130669E-06 0.100000E-04    0.992396E+00
  48    0.413559E-06    0.195923E+03 -0.211083E-08 0.100000E-04    0.358990E+00
  49    0.348494E-04    0.194742E+03 -0.178951E-06 0.100000E-04    0.994206E+00
  50    0.395472E-05    0.191292E+03 -0.206737E-07 0.100000E-04    0.632870E+00
  51   -0.160529E-04    0.182870E+03  0.877829E-07 0.100000E-04    0.982316E+00
  52    0.711001E-05    0.174072E+03 -0.408452E-07 0.100000E-04    0.949581E+00
  53    0.139736E-04    0.172314E+03 -0.810934E-07 0.100000E-04    0.988931E+00
  54   -0.262663E-04    0.168018E+03  0.156330E-06 0.100000E-04    0.996883E+00
  55    0.273915E-04    0.163567E+03 -0.167464E-06 0.100000E-04    0.991048E+00
  56    0.136399E-04    0.157169E+03 -0.867851E-07 0.100000E-04    0.949113E+00
  57    0.152360E-04    0.154710E+03 -0.984815E-07 0.100000E-04    0.976431E+00
  58    0.300096E-04    0.152211E+03 -0.197157E-06 0.100000E-04    0.993398E+00
  59    0.107954E-04    0.147068E+03 -0.734042E-07 0.100000E-04    0.976941E+00
  60    0.225804E-04    0.143508E+03 -0.157346E-06 0.100000E-04    0.984203E+00
  61   -0.278526E-04    0.137811E+03  0.202108E-06 0.100000E-04    0.963375E+00
  62   -0.227115E-04    0.135895E+03  0.167125E-06 0.100000E-04    0.990746E+00
  63   -0.996528E-06    0.130431E+03  0.764028E-08 0.100000E-04    0.249527E+00
  64    0.426795E-04    0.128710E+03 -0.331595E-06 0.100000E-04    0.990822E+00
  65    0.129070E-04    0.126765E+03 -0.101818E-06 0.100000E-04    0.918859E+00
  66   -0.218797E-05    0.124599E+03  0.175600E-07 0.100000E-04    0.816016E+00
  67   -0.286882E-04    0.119958E+03  0.239153E-06 0.100000E-04    0.965619E+00
  68   -0.509431E-05    0.118159E+03  0.431140E-07 0.100000E-04    0.940997E+00
  69    0.857784E-05    0.117052E+03 -0.732821E-07 0.100000E-04    0.982201E+00
  70   -0.395047E-04    0.110343E+03  0.358016E-06 0.100000E-04    0.986295E+00
  71   -0.750475E-05    0.107007E+03  0.701335E-07 0.100000E-04    0.971065E+00
  72    0.855365E-04    0.104402E+03 -0.819301E-06 0.100000E-04    0.995600E+00
  73   -0.216912E-04    0.102895E+03  0.210809E-06 0.100000E-04    0.976512E+00
  74    0.155281E-04    0.996136E+02 -0.155883E-06 0.100000E-04    0.981660E+00
  75    0.714738E-04    0.960572E+02 -0.744075E-06 0.100000E-04    0.987427E+00
  76   -0.251257E-06    0.941905E+02  0.266754E-08 0.100000E-04    0.282230E+00
  77   -0.583202E-04    0.924252E+02  0.630999E-06 0.100000E-04    0.993923E+00
  78    0.168316E-04    0.910696E+02 -0.184821E-06 0.100000E-04    0.971953E+00
  79   -0.555822E-05    0.887174E+02  0.626509E-07 0.100000E-04    0.972716E+00
  80    0.181441E-04    0.854593E+02 -0.212313E-06 0.100000E-04    0.999513E+00
  81    0.356948E-04    0.808300E+02 -0.441603E-06 0.100000E-04    0.988318E+00
  82   -0.274858E-04    0.802326E+02  0.342577E-06 0.100000E-04    0.978909E+00
  83    0.103021E-04    0.780615E+02 -0.131974E-06 0.100000E-04    0.974865E+00
  84   -0.521387E-04    0.733084E+02  0.711224E-06 0.100000E-04    0.978468E+00
  85   -0.132179E-05    0.727499E+02  0.181689E-07 0.100000E-04    0.357232E+01
  86    0.189990E-04    0.680903E+02 -0.279026E-06 0.100000E-04    0.966711E+00
  87   -0.422649E-04    0.650285E+02  0.649945E-06 0.100000E-04    0.976031E+00
  88   -0.279411E-04    0.617605E+02  0.452411E-06 0.100000E-04    0.971998E+00
  89    0.273175E-04    0.599508E+02 -0.455665E-06 0.100000E-04    0.945375E+00
  90    0.445486E-04    0.593932E+02 -0.750063E-06 0.100000E-04    0.993798E+00
  91   -0.431057E-04    0.583699E+02  0.738492E-06 0.100000E-04    0.948128E+00
  92    0.681912E-04    0.559720E+02 -0.121831E-05 0.100000E-04    0.983816E+00
  93   -0.463187E-04    0.525209E+02  0.881910E-06 0.100000E-04    0.964269E+00
  94   -0.518963E-04    0.522008E+02  0.994166E-06 0.100000E-04    0.994330E+00
  95    0.991297E-05    0.500566E+02 -0.198035E-06 0.100000E-04    0.847443E+00
  96   -0.125271E-04    0.464996E+02  0.269403E-06 0.100000E-04    0.942251E+00
  97    0.136289E-04    0.431350E+02 -0.315960E-06 0.100000E-04    0.829724E+00
  98    0.523927E-04    0.408309E+02 -0.128316E-05 0.100000E-04    0.981909E+00
  99    0.887891E-04    0.379062E+02 -0.234234E-05 0.100000E-04    0.971570E+00
 100   -0.628523E-04    0.364271E+02  0.172543E-05 0.100000E-04    0.975276E+00
 101   -0.367936E-04    0.326394E+02  0.112728E-05 0.100000E-04    0.797512E+00
 102   -0.106664E-03    0.288068E+02  0.370272E-05 0.100000E-04    0.987582E+00
 103   -0.591733E-04    0.284590E+02  0.207925E-05 0.100000E-04    0.985615E+00
 104    0.153213E-03    0.263442E+02 -0.581580E-05 0.100000E-04    0.997417E+00
 105    0.543123E-04    0.232861E+02 -0.233240E-05 0.100000E-04    0.939221E+00
 106    0.199745E-04    0.212449E+02 -0.940204E-06 0.100000E-04    0.824850E+00
 107    0.131096E-03    0.200300E+02 -0.654499E-05 0.100000E-04    0.907864E+00
 108   -0.101897E-03    0.165776E+02  0.614666E-05 0.100000E-04    0.864562E+00
 109    0.893066E-04    0.138790E+02 -0.643467E-05 0.100000E-04    0.969813E+00
 110   -0.150999E-01    0.122389E+02  0.100000E-04 0.100000E-04    0.826842E+00
 111    0.812538E-04    0.100867E+02 -0.805552E-05 0.100000E-04    0.973358E+00
 112    0.267688E-01    0.858407E+01 -0.388997E-04 0.388997E-04    0.166149E+00
 113    0.555045E-01    0.585799E+01 -0.171469E-03 0.171469E-03    0.192287E+00
 114    0.889548E+00    0.334793E+01  0.400000E-03 0.400000E-03    0.897564E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2492008095    

 Beginning of optimization cycle  489.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3072989640
 potential> RMS force:                                               0.0836434993   |gradient|=.8930681872    
 Eigenvalues of the Hessian matrix:
   744.19698    674.57631    629.51680    601.61686    586.78102    578.09247 
   566.31198    487.12665    461.32192    460.19371    441.81950    428.84472 
   422.07111    408.47021    396.58514    387.98869    369.64227    360.55798 
   349.57094    335.05635    328.67625    321.89480    318.99077    309.95186 
   301.26247    290.28602    278.42909    272.31788    268.19001    264.79366 
   263.03451    253.44213    241.51815    240.35397    233.74350    227.48228 
   217.08656    214.82968    213.27710    207.41870    203.21855    195.90744 
   194.74207    191.29226    182.86650    174.07590    172.31345    168.02408 
   163.55511    157.15648    154.71507    152.21525    147.05461    143.50615 
   137.81853    135.89441    130.42799    128.71345    126.76979    124.58655 
   119.95875    118.15959    117.04864    110.34182    107.00180    104.40129 
   102.89240     99.61159     96.06121     94.19066     92.40671     91.07363 
    88.70818     85.46330     80.82927     80.23885     78.05847     73.31118 
    72.74828     68.08670     65.02021     61.74515     59.94888     59.39369 
    58.36081     55.96958     52.51953     52.19707     50.05945     46.48968 
    43.14078     40.83396     37.90680     36.42429     32.62578     28.80826 
    28.45820     26.33935     23.28748     21.24870     20.02179     16.57421 
    13.87974     12.23890     10.08723      8.59141      5.85113      3.34193 
overlap for current and previous eigenvector    109 is         0.9999994316
overlap for current and previous eigenvector    110 is        -0.9999997886
overlap for current and previous eigenvector    111 is        -0.9999993080
overlap for current and previous eigenvector    112 is        -0.9999984255
overlap for current and previous eigenvector    113 is        -0.9999962924
overlap for current and previous eigenvector    114 is        -0.9999975593
J1,K1,R1,R2,RAT=   7   7   -0.5291833357E-02     2.005063014        0.9947081666    
FOB,PFOB,DIAG,PSTEP=   -0.9667677146E-05   -0.9616780920E-05     744.1969847        0.1292383804E-07
J1,K1,R1,R2,RAT=   8   8   -0.2068223765E-01     2.020694169        0.9793177624    
FOB,PFOB,DIAG,PSTEP=   -0.1030834586E-04   -0.1009946752E-04     674.5763085        0.1497148231E-07
J1,K1,R1,R2,RAT=   9   9   -0.6437275397E-01     2.064270308        0.9356272460    
FOB,PFOB,DIAG,PSTEP=   -0.8511072132E-05   -0.7996301795E-05     629.5167976        0.1270293571E-07
J1,K1,R1,R2,RAT=  10  10    0.2107336617E-01     1.979021994        0.9789266338    
FOB,PFOB,DIAG,PSTEP=    0.2940426475E-05    0.3003721991E-05     601.6168584       -0.4992510994E-08
J1,K1,R1,R2,RAT=  11  11    0.3665234552E-01     1.963384621        0.9633476545    
FOB,PFOB,DIAG,PSTEP=   -0.2202105748E-05   -0.2285887332E-05     586.7810161        0.3895567544E-08
J1,K1,R1,R2,RAT= 109 109   -0.3141024170E-01     2.031300577        0.9685897583    
FOB,PFOB,DIAG,PSTEP=    0.9211193601E-04    0.8930663907E-04     13.87973743       -0.6434670442E-05
J1,K1,R1,R2,RAT= 110 110     246.5034003        0.2488517090        0.7511482910    
FOB,PFOB,DIAG,PSTEP=    0.1506941844E-01   -0.1509987514E-01     12.23889551        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.027954975       -0.2805399323E-01    0.9719460068    
FOB,PFOB,DIAG,PSTEP=   -0.8353344923E-04    0.8125384165E-04     10.08722965       -0.8055518458E-05
J1,K1,R1,R2,RAT= 112 112     160.9701678       -0.7751484275        0.2248515725    
FOB,PFOB,DIAG,PSTEP=   -0.2702790529E-01    0.2676884816E-01     8.591413411       -0.3889968220E-04
J1,K1,R1,R2,RAT= 113 113     111.4472660       -0.8021241000        0.1978759000    
FOB,PFOB,DIAG,PSTEP=   -0.5630923817E-01    0.5550447661E-01     5.851128257       -0.1714691676E-03
J1,K1,R1,R2,RAT= 114 114    -1331.790271        0.9018074840        0.9819251603E-01
FOB,PFOB,DIAG,PSTEP=   -0.8907537734        0.8895482610         3.341933924        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00002      0.00001      0.00001     -0.00003 
     0.00003      0.00001     -0.00001     -0.00003     -0.00001     -0.00002 
    -0.00003     -0.00002     -0.00000      0.00004     -0.00001      0.00000 
    -0.00003      0.00000     -0.00001      0.00004      0.00001      0.00009 
     0.00002      0.00002     -0.00007     -0.00000      0.00006      0.00002 
     0.00001     -0.00002      0.00004     -0.00003     -0.00001      0.00005 
    -0.00000     -0.00002      0.00004     -0.00003     -0.00003     -0.00004 
     0.00004     -0.00007     -0.00005      0.00005      0.00001     -0.00001 
    -0.00001     -0.00005     -0.00009     -0.00006      0.00004      0.00011 
    -0.00006     -0.00015     -0.00005     -0.00002      0.00014      0.00012 
     0.00009      0.01507     -0.00008     -0.02703     -0.05631     -0.89075 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3901014324
 Log product of positive Hessian eigenvalues =          519.1408807155
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3419339245
 Unscaled step for mode    7=        0.0000000130
 Unscaled step for mode    8=        0.0000000153
 Unscaled step for mode    9=        0.0000000135
 Unscaled step for mode   10=       -0.0000000049
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000271
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=       -0.0000000175
 Unscaled step for mode   15=       -0.0000000021
 Unscaled step for mode   16=       -0.0000000103
 Unscaled step for mode   17=        0.0000000026
 Unscaled step for mode   18=       -0.0000000032
 Unscaled step for mode   19=        0.0000000466
 Unscaled step for mode   20=       -0.0000000004
 Unscaled step for mode   21=       -0.0000000005
 Unscaled step for mode   22=        0.0000000402
 Unscaled step for mode   23=       -0.0000000205
 Unscaled step for mode   24=        0.0000000282
 Unscaled step for mode   25=        0.0000000674
 Unscaled step for mode   26=        0.0000000988
 Unscaled step for mode   27=        0.0000000424
 Unscaled step for mode   28=       -0.0000000218
 Unscaled step for mode   29=        0.0000001001
 Unscaled step for mode   30=        0.0000000909
 Unscaled step for mode   31=        0.0000001008
 Unscaled step for mode   32=        0.0000000664
 Unscaled step for mode   33=       -0.0000000486
 Unscaled step for mode   34=        0.0000000736
 Unscaled step for mode   35=       -0.0000001083
 Unscaled step for mode   36=       -0.0000001288
 Unscaled step for mode   37=       -0.0000000587
 Unscaled step for mode   38=       -0.0000000290
 Unscaled step for mode   39=        0.0000000841
 Unscaled step for mode   40=        0.0000001714
 Unscaled step for mode   41=        0.0000002184
 Unscaled step for mode   42=        0.0000001392
 Unscaled step for mode   43=        0.0000000775
 Unscaled step for mode   44=        0.0000002582
 Unscaled step for mode   45=       -0.0000000724
 Unscaled step for mode   46=       -0.0000001954
 Unscaled step for mode   47=        0.0000001318
 Unscaled step for mode   48=        0.0000000021
 Unscaled step for mode   49=       -0.0000001800
 Unscaled step for mode   50=       -0.0000000267
 Unscaled step for mode   51=        0.0000000861
 Unscaled step for mode   52=       -0.0000000384
 Unscaled step for mode   53=       -0.0000000802
 Unscaled step for mode   54=        0.0000001557
 Unscaled step for mode   55=       -0.0000001690
 Unscaled step for mode   56=       -0.0000000914
 Unscaled step for mode   57=        0.0000000959
 Unscaled step for mode   58=        0.0000001985
 Unscaled step for mode   59=        0.0000000751
 Unscaled step for mode   60=        0.0000001546
 Unscaled step for mode   61=        0.0000001937
 Unscaled step for mode   62=        0.0000001689
 Unscaled step for mode   63=        0.0000000197
 Unscaled step for mode   64=       -0.0000003280
 Unscaled step for mode   65=        0.0000000920
 Unscaled step for mode   66=       -0.0000000132
 Unscaled step for mode   67=        0.0000002477
 Unscaled step for mode   68=       -0.0000000402
 Unscaled step for mode   69=        0.0000000718
 Unscaled step for mode   70=       -0.0000003633
 Unscaled step for mode   71=       -0.0000000724
 Unscaled step for mode   72=       -0.0000008150
 Unscaled step for mode   73=       -0.0000002054
 Unscaled step for mode   74=       -0.0000001528
 Unscaled step for mode   75=        0.0000007337
 Unscaled step for mode   76=        0.0000000042
 Unscaled step for mode   77=       -0.0000006350
 Unscaled step for mode   78=       -0.0000001790
 Unscaled step for mode   79=       -0.0000000646
 Unscaled step for mode   80=        0.0000002126
 Unscaled step for mode   81=       -0.0000004470
 Unscaled step for mode   82=        0.0000003502
 Unscaled step for mode   83=        0.0000001285
 Unscaled step for mode   84=       -0.0000006940
 Unscaled step for mode   85=        0.0000000414
 Unscaled step for mode   86=        0.0000002685
 Unscaled step for mode   87=       -0.0000006323
 Unscaled step for mode   88=        0.0000004653
 Unscaled step for mode   89=        0.0000004810
 Unscaled step for mode   90=        0.0000007555
 Unscaled step for mode   91=       -0.0000006942
 Unscaled step for mode   92=        0.0000012402
 Unscaled step for mode   93=        0.0000009146
 Unscaled step for mode   94=       -0.0000009880
 Unscaled step for mode   95=       -0.0000002266
 Unscaled step for mode   96=        0.0000002508
 Unscaled step for mode   97=        0.0000002455
 Unscaled step for mode   98=        0.0000012572
 Unscaled step for mode   99=        0.0000022676
 Unscaled step for mode  100=        0.0000016776
 Unscaled step for mode  101=       -0.0000013366
 Unscaled step for mode  102=       -0.0000036507
 Unscaled step for mode  103=        0.0000021108
 Unscaled step for mode  104=        0.0000057948
 Unscaled step for mode  105=        0.0000021650
 Unscaled step for mode  106=        0.0000007257
 Unscaled step for mode  107=       -0.0000071596
 Unscaled step for mode  108=       -0.0000069556
 Unscaled step for mode  109=       -0.0000066364
 Unscaled step for mode  110=       -0.0012312709
 Unscaled step for mode  111=        0.0000082811
 Unscaled step for mode  112=        0.0031458896
 Unscaled step for mode  113=        0.0096227636
 Unscaled step for mode  114=       -0.2498939013
 Largest modulus ratio of non-zero e/values=           222.6845298    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.449835E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.183149E-14    0.100670E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.192355E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.149891E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.824861E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.400138E-15    0.974178E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.966768E-05    0.744197E+03  0.129908E-07 0.100000E-04    0.994708E+00
   8   -0.103083E-04    0.674576E+03  0.152812E-07 0.100000E-04    0.979318E+00
   9   -0.851107E-05    0.629517E+03  0.135200E-07 0.100000E-04    0.935627E+00
  10    0.294043E-05    0.601617E+03 -0.488754E-08 0.100000E-04    0.978927E+00
  11   -0.220211E-05    0.586781E+03  0.375286E-08 0.100000E-04    0.963348E+00
  12   -0.156714E-04    0.578092E+03  0.271089E-07 0.100000E-04    0.954451E+00
  13   -0.334787E-05    0.566312E+03  0.591171E-08 0.100000E-04    0.993250E+00
  14    0.852869E-05    0.487127E+03 -0.175082E-07 0.100000E-04    0.962064E+00
  15    0.960688E-06    0.461322E+03 -0.208247E-08 0.100000E-04    0.771783E+00
  16    0.471988E-05    0.460194E+03 -0.102563E-07 0.100000E-04    0.939726E+00
  17   -0.115753E-05    0.441819E+03  0.261993E-08 0.109000E-04    0.103657E+00
  18    0.136408E-05    0.428845E+03 -0.318084E-08 0.100000E-04    0.813666E+00
  19   -0.196698E-04    0.422071E+03  0.466030E-07 0.100000E-04    0.990970E+00
  20    0.153683E-06    0.408470E+03 -0.376240E-09 0.100000E-04    0.338049E+00
  21    0.213113E-06    0.396585E+03 -0.537371E-09 0.100000E-04    0.383832E+00
  22   -0.156041E-04    0.387989E+03  0.402180E-07 0.100000E-04    0.984137E+00
  23    0.758557E-05    0.369642E+03 -0.205214E-07 0.100000E-04    0.920021E+00
  24   -0.101581E-04    0.360558E+03  0.281734E-07 0.100000E-04    0.979354E+00
  25   -0.235446E-04    0.349571E+03  0.673527E-07 0.100000E-04    0.990506E+00
  26   -0.330919E-04    0.335056E+03  0.987652E-07 0.100000E-04    0.987580E+00
  27   -0.139206E-04    0.328676E+03  0.423534E-07 0.100000E-04    0.968997E+00
  28    0.702594E-05    0.321895E+03 -0.218268E-07 0.100000E-04    0.941731E+00
  29   -0.319319E-04    0.318991E+03  0.100103E-06 0.100000E-04    0.986150E+00
  30   -0.281698E-04    0.309952E+03  0.908844E-07 0.100000E-04    0.976743E+00
  31   -0.303682E-04    0.301262E+03  0.100803E-06 0.100000E-04    0.984271E+00
  32   -0.192697E-04    0.290286E+03  0.663817E-07 0.100000E-04    0.963941E+00
  33    0.135181E-04    0.278429E+03 -0.485512E-07 0.100000E-04    0.981308E+00
  34   -0.200427E-04    0.272318E+03  0.736004E-07 0.100000E-04    0.990712E+00
  35    0.290329E-04    0.268190E+03 -0.108255E-06 0.100000E-04    0.987857E+00
  36    0.341124E-04    0.264794E+03 -0.128827E-06 0.100000E-04    0.980503E+00
  37    0.154392E-04    0.263035E+03 -0.586964E-07 0.100000E-04    0.965791E+00
  38    0.734571E-05    0.253442E+03 -0.289838E-07 0.100000E-04    0.997283E+00
  39   -0.203117E-04    0.241518E+03  0.841002E-07 0.100000E-04    0.990261E+00
  40   -0.411861E-04    0.240354E+03  0.171356E-06 0.100000E-04    0.988630E+00
  41   -0.510389E-04    0.233744E+03  0.218354E-06 0.100000E-04    0.998356E+00
  42   -0.316731E-04    0.227482E+03  0.139233E-06 0.100000E-04    0.971487E+00
  43   -0.168269E-04    0.217087E+03  0.775124E-07 0.100000E-04    0.990945E+00
  44   -0.554698E-04    0.214830E+03  0.258204E-06 0.100000E-04    0.984118E+00
  45    0.154417E-04    0.213277E+03 -0.724021E-07 0.100000E-04    0.974183E+00
  46    0.405273E-04    0.207419E+03 -0.195389E-06 0.100000E-04    0.993411E+00
  47   -0.267764E-04    0.203219E+03  0.131762E-06 0.100000E-04    0.991673E+00
  48   -0.404721E-06    0.195907E+03  0.206588E-08 0.100000E-04    0.978630E+00
  49    0.350611E-04    0.194742E+03 -0.180039E-06 0.100000E-04    0.993925E+00
  50    0.510682E-05    0.191292E+03 -0.266964E-07 0.100000E-04    0.708676E+00
  51   -0.157357E-04    0.182867E+03  0.860503E-07 0.100000E-04    0.980242E+00
  52    0.668420E-05    0.174076E+03 -0.383982E-07 0.100000E-04    0.940070E+00
  53    0.138125E-04    0.172313E+03 -0.801589E-07 0.100000E-04    0.988471E+00
  54   -0.261692E-04    0.168024E+03  0.155747E-06 0.100000E-04    0.996232E+00
  55    0.276469E-04    0.163555E+03 -0.169037E-06 0.100000E-04    0.990674E+00
  56    0.143580E-04    0.157156E+03 -0.913610E-07 0.100000E-04    0.947351E+00
  57   -0.148300E-04    0.154715E+03  0.958534E-07 0.100000E-04    0.973280E+00
  58   -0.302219E-04    0.152215E+03  0.198547E-06 0.100000E-04    0.992926E+00
  59   -0.110494E-04    0.147055E+03  0.751382E-07 0.100000E-04    0.976468E+00
  60   -0.221812E-04    0.143506E+03  0.154566E-06 0.100000E-04    0.982317E+00
  61   -0.266979E-04    0.137819E+03  0.193717E-06 0.100000E-04    0.958431E+00
  62   -0.229464E-04    0.135894E+03  0.168854E-06 0.100000E-04    0.989659E+00
  63   -0.257377E-05    0.130428E+03  0.197333E-07 0.100000E-04    0.582771E+00
  64    0.422241E-04    0.128713E+03 -0.328048E-06 0.100000E-04    0.989273E+00
  65   -0.116691E-04    0.126770E+03  0.920498E-07 0.100000E-04    0.904019E+00
  66    0.164509E-05    0.124587E+03 -0.132044E-07 0.100000E-04    0.751857E+00
  67   -0.297181E-04    0.119959E+03  0.247736E-06 0.100000E-04    0.964102E+00
  68    0.474642E-05    0.118160E+03 -0.401696E-07 0.100000E-04    0.931703E+00
  69   -0.840854E-05    0.117049E+03  0.718380E-07 0.100000E-04    0.980262E+00
  70    0.400827E-04    0.110342E+03 -0.363260E-06 0.100000E-04    0.985367E+00
  71    0.774263E-05    0.107002E+03 -0.723599E-07 0.100000E-04    0.968301E+00
  72    0.850885E-04    0.104401E+03 -0.815014E-06 0.100000E-04    0.994763E+00
  73    0.211304E-04    0.102892E+03 -0.205364E-06 0.100000E-04    0.974146E+00
  74    0.152249E-04    0.996116E+02 -0.152842E-06 0.100000E-04    0.980474E+00
  75   -0.704837E-04    0.960612E+02  0.733737E-06 0.100000E-04    0.986065E+00
  76   -0.399858E-06    0.941907E+02  0.424519E-08 0.100000E-04    0.408573E+00
  77    0.586810E-04    0.924067E+02 -0.635029E-06 0.100000E-04    0.993813E+00
  78    0.162996E-04    0.910736E+02 -0.178972E-06 0.100000E-04    0.968308E+00
  79    0.573370E-05    0.887082E+02 -0.646355E-07 0.100000E-04    0.968427E+00
  80   -0.181736E-04    0.854633E+02  0.212648E-06 0.100000E-04    0.998375E+00
  81    0.361324E-04    0.808293E+02 -0.447021E-06 0.100000E-04    0.987740E+00
  82   -0.280957E-04    0.802388E+02  0.350150E-06 0.100000E-04    0.977814E+00
  83   -0.100323E-04    0.780585E+02  0.128522E-06 0.100000E-04    0.973809E+00
  84    0.508801E-04    0.733112E+02 -0.694029E-06 0.100000E-04    0.975786E+00
  85   -0.300836E-05    0.727483E+02  0.413531E-07 0.100000E-04    0.276007E+00
  86   -0.182784E-04    0.680867E+02  0.268457E-06 0.100000E-04    0.962070E+00
  87    0.411131E-04    0.650202E+02 -0.632312E-06 0.100000E-04    0.972743E+00
  88   -0.287309E-04    0.617451E+02  0.465315E-06 0.100000E-04    0.971726E+00
  89   -0.288382E-04    0.599489E+02  0.481047E-06 0.100000E-04    0.944329E+00
  90   -0.448739E-04    0.593937E+02  0.755534E-06 0.100000E-04    0.992697E+00
  91    0.405155E-04    0.583608E+02 -0.694224E-06 0.100000E-04    0.939901E+00
  92   -0.694111E-04    0.559696E+02  0.124016E-05 0.100000E-04    0.982110E+00
  93   -0.480356E-04    0.525195E+02  0.914624E-06 0.100000E-04    0.962931E+00
  94    0.515728E-04    0.521971E+02 -0.988041E-06 0.100000E-04    0.993767E+00
  95    0.113432E-04    0.500594E+02 -0.226594E-06 0.100000E-04    0.855730E+00
  96   -0.116599E-04    0.464897E+02  0.250806E-06 0.100000E-04    0.930757E+00
  97   -0.105917E-04    0.431408E+02  0.245515E-06 0.100000E-04    0.776911E+00
  98   -0.513369E-04    0.408340E+02  0.125721E-05 0.100000E-04    0.979701E+00
  99   -0.859561E-04    0.379068E+02  0.226757E-05 0.100000E-04    0.968064E+00
 100   -0.611064E-04    0.364243E+02  0.167763E-05 0.100000E-04    0.972221E+00
 101    0.436060E-04    0.326258E+02 -0.133655E-05 0.100000E-04    0.814771E+00
 102    0.105171E-03    0.288083E+02 -0.365073E-05 0.100000E-04    0.985909E+00
 103   -0.600703E-04    0.284582E+02  0.211083E-05 0.100000E-04    0.984841E+00
 104   -0.152631E-03    0.263393E+02  0.579481E-05 0.100000E-04    0.996205E+00
 105   -0.504165E-04    0.232875E+02  0.216496E-05 0.100000E-04    0.928153E+00
 106   -0.154205E-04    0.212487E+02  0.725716E-06 0.100000E-04    0.771691E+00
 107    0.143348E-03    0.200218E+02 -0.715961E-05 0.100000E-04    0.906503E+00
 108    0.115283E-03    0.165742E+02 -0.695556E-05 0.100000E-04    0.868609E+00
 109    0.921119E-04    0.138797E+02 -0.663643E-05 0.100000E-04    0.968590E+00
 110    0.150694E-01    0.122389E+02 -0.100000E-04 0.100000E-04    0.751148E+00
 111   -0.835334E-04    0.100872E+02  0.828111E-05 0.100000E-04    0.971946E+00
 112   -0.270279E-01    0.859141E+01  0.350448E-04 0.350448E-04    0.224852E+00
 113   -0.563092E-01    0.585113E+01  0.186901E-03 0.186901E-03    0.197876E+00
 114   -0.890754E+00    0.334193E+01 -0.400000E-03 0.400000E-03    0.981925E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2498939013    

 Beginning of optimization cycle  490.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3069539125
 potential> RMS force:                                               0.0837607762   |gradient|=.8943203622    
 Eigenvalues of the Hessian matrix:
   744.28375    674.57081    629.55007    601.58836    586.76949    578.13190 
   566.28210    487.14763    461.29687    460.18139    441.81901    428.85099 
   422.06915    408.46126    396.57856    387.97514    369.65747    360.55426 
   349.56234    335.06274    328.69911    321.89695    318.98423    309.93752 
   301.24283    290.29797    278.43856    272.33306    268.20103    264.79660 
   263.06575    253.43323    241.51476    240.37034    233.74607    227.47830 
   217.07650    214.83377    213.27931    207.42566    203.21153    195.89207 
   194.74216    191.29290    182.86320    174.08011    172.31240    168.03034 
   163.54311    157.14411    154.72068    152.21903    147.04101    143.50392 
   137.82653    135.89334    130.42478    128.71743    126.77470    124.57303 
   119.95978    118.15991    117.04444    110.34048    106.99676    104.40070 
   102.88972     99.60942     96.06502     94.19048     92.38820     91.07792 
    88.69872     85.46741     80.82852     80.24555     78.05525     73.31361 
    72.74613     68.08266     65.01163     61.72957     59.94678     59.39404 
    58.35144     55.96683     52.51801     52.19298     50.06244     46.47945 
    43.14684     40.83695     37.90707     36.42061     32.61200     28.80973 
    28.45741     26.33461     23.28898     21.25229     20.01362     16.57066 
    13.88049     12.23884     10.08773      8.59931      5.84431      3.33593 
overlap for current and previous eigenvector    109 is         0.9999993651
overlap for current and previous eigenvector    110 is         0.9999997702
overlap for current and previous eigenvector    111 is         0.9999992007
overlap for current and previous eigenvector    112 is         0.9999981959
overlap for current and previous eigenvector    113 is         0.9999958041
overlap for current and previous eigenvector    114 is         0.9999972105
J1,K1,R1,R2,RAT=   7   7   -0.2372676010E-02     2.002139518        0.9976273240    
FOB,PFOB,DIAG,PSTEP=   -0.9690618086E-05   -0.9667677146E-05     744.2837525        0.1299075022E-07
J1,K1,R1,R2,RAT=   8   8   -0.1981542403E-01     2.019831728        0.9801845760    
FOB,PFOB,DIAG,PSTEP=   -0.1051260844E-04   -0.1030834586E-04     674.5708092        0.1528121538E-07
J1,K1,R1,R2,RAT=   9   9   -0.4641079637E-01     2.046305092        0.9535892036    
FOB,PFOB,DIAG,PSTEP=   -0.8906098645E-05   -0.8511072132E-05     629.5500708        0.1352000799E-07
J1,K1,R1,R2,RAT=  10  10    0.7168901751E-01     1.928405712        0.9283109825    
FOB,PFOB,DIAG,PSTEP=    0.2729640174E-05    0.2940426475E-05     601.5883642       -0.4887540026E-08
J1,K1,R1,R2,RAT=  11  11    0.1358487958E-01     1.986454414        0.9864151204    
FOB,PFOB,DIAG,PSTEP=   -0.2172190994E-05   -0.2202105748E-05     586.7694880        0.3752857860E-08
J1,K1,R1,R2,RAT= 109 109   -0.1629303545E-02     2.001520773        0.9983706965    
FOB,PFOB,DIAG,PSTEP=    0.9226202246E-04    0.9211193601E-04     13.88049066       -0.6636432169E-05
J1,K1,R1,R2,RAT= 110 110    0.3464789798         245.9091066        0.6535210202    
FOB,PFOB,DIAG,PSTEP=    0.1502701342E-01    0.1506941844E-01     12.23884397       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.1798390040E-01     2.017884563        0.9820160996    
FOB,PFOB,DIAG,PSTEP=   -0.8503578108E-04   -0.8353344923E-04     10.08773070        0.8281109094E-05
J1,K1,R1,R2,RAT= 112 112    -1.030054899         180.4023952        0.3005489869E-01
FOB,PFOB,DIAG,PSTEP=   -0.2733832356E-01   -0.2702790529E-01     8.599314552        0.3504475874E-04
J1,K1,R1,R2,RAT= 113 113   -0.7826740661         103.8838231        0.2173259339    
FOB,PFOB,DIAG,PSTEP=   -0.5716416134E-01   -0.5630923817E-01     5.844314846        0.1869013927E-03
J1,K1,R1,R2,RAT= 114 114    0.8935265742        -1335.985744        0.1064734258    
FOB,PFOB,DIAG,PSTEP=   -0.8919460688       -0.8907537734         3.335926019       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00002      0.00001      0.00001     -0.00003 
     0.00003      0.00001     -0.00001     -0.00003     -0.00001     -0.00002 
    -0.00003     -0.00002     -0.00000      0.00004     -0.00001      0.00000 
     0.00003      0.00000      0.00001      0.00004      0.00001      0.00008 
     0.00002      0.00001     -0.00007     -0.00000      0.00006      0.00002 
     0.00001     -0.00002      0.00004     -0.00003     -0.00001      0.00005 
    -0.00000     -0.00002      0.00004     -0.00003     -0.00003     -0.00005 
     0.00004     -0.00007     -0.00005      0.00005      0.00001     -0.00001 
    -0.00001     -0.00005     -0.00008     -0.00006      0.00005     -0.00010 
    -0.00006      0.00015      0.00005      0.00001      0.00016      0.00013 
     0.00009      0.01503     -0.00009     -0.02734     -0.05716     -0.89195 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3898372625
 Log product of positive Hessian eigenvalues =          519.1368850393
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3359260194
 Unscaled step for mode    7=        0.0000000130
 Unscaled step for mode    8=        0.0000000156
 Unscaled step for mode    9=        0.0000000141
 Unscaled step for mode   10=       -0.0000000045
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000280
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000182
 Unscaled step for mode   15=       -0.0000000019
 Unscaled step for mode   16=       -0.0000000096
 Unscaled step for mode   17=        0.0000000038
 Unscaled step for mode   18=       -0.0000000028
 Unscaled step for mode   19=        0.0000000461
 Unscaled step for mode   20=        0.0000000001
 Unscaled step for mode   21=        0.0000000001
 Unscaled step for mode   22=        0.0000000404
 Unscaled step for mode   23=       -0.0000000219
 Unscaled step for mode   24=        0.0000000284
 Unscaled step for mode   25=        0.0000000671
 Unscaled step for mode   26=        0.0000000974
 Unscaled step for mode   27=        0.0000000414
 Unscaled step for mode   28=       -0.0000000205
 Unscaled step for mode   29=        0.0000000982
 Unscaled step for mode   30=        0.0000000933
 Unscaled step for mode   31=        0.0000001029
 Unscaled step for mode   32=        0.0000000680
 Unscaled step for mode   33=       -0.0000000468
 Unscaled step for mode   34=        0.0000000722
 Unscaled step for mode   35=       -0.0000001096
 Unscaled step for mode   36=       -0.0000001309
 Unscaled step for mode   37=       -0.0000000569
 Unscaled step for mode   38=       -0.0000000290
 Unscaled step for mode   39=        0.0000000835
 Unscaled step for mode   40=        0.0000001722
 Unscaled step for mode   41=        0.0000002184
 Unscaled step for mode   42=        0.0000001428
 Unscaled step for mode   43=        0.0000000774
 Unscaled step for mode   44=        0.0000002617
 Unscaled step for mode   45=       -0.0000000736
 Unscaled step for mode   46=       -0.0000001964
 Unscaled step for mode   47=        0.0000001328
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000001823
 Unscaled step for mode   50=       -0.0000000347
 Unscaled step for mode   51=        0.0000000852
 Unscaled step for mode   52=       -0.0000000366
 Unscaled step for mode   53=       -0.0000000795
 Unscaled step for mode   54=        0.0000001568
 Unscaled step for mode   55=       -0.0000001704
 Unscaled step for mode   56=       -0.0000000926
 Unscaled step for mode   57=        0.0000000943
 Unscaled step for mode   58=        0.0000002000
 Unscaled step for mode   59=        0.0000000749
 Unscaled step for mode   60=        0.0000001534
 Unscaled step for mode   61=        0.0000001844
 Unscaled step for mode   62=        0.0000001699
 Unscaled step for mode   63=        0.0000000336
 Unscaled step for mode   64=       -0.0000003233
 Unscaled step for mode   65=        0.0000000830
 Unscaled step for mode   66=       -0.0000000075
 Unscaled step for mode   67=       -0.0000002551
 Unscaled step for mode   68=       -0.0000000383
 Unscaled step for mode   69=       -0.0000000702
 Unscaled step for mode   70=       -0.0000003715
 Unscaled step for mode   71=       -0.0000000738
 Unscaled step for mode   72=       -0.0000008066
 Unscaled step for mode   73=       -0.0000002008
 Unscaled step for mode   74=       -0.0000001492
 Unscaled step for mode   75=        0.0000007243
 Unscaled step for mode   76=        0.0000000129
 Unscaled step for mode   77=       -0.0000006368
 Unscaled step for mode   78=       -0.0000001827
 Unscaled step for mode   79=       -0.0000000652
 Unscaled step for mode   80=        0.0000002166
 Unscaled step for mode   81=       -0.0000004518
 Unscaled step for mode   82=        0.0000003597
 Unscaled step for mode   83=        0.0000001366
 Unscaled step for mode   84=       -0.0000006711
 Unscaled step for mode   85=        0.0000000671
 Unscaled step for mode   86=        0.0000002597
 Unscaled step for mode   87=       -0.0000006127
 Unscaled step for mode   88=        0.0000004617
 Unscaled step for mode   89=        0.0000005063
 Unscaled step for mode   90=        0.0000007618
 Unscaled step for mode   91=       -0.0000006537
 Unscaled step for mode   92=        0.0000012750
 Unscaled step for mode   93=        0.0000009424
 Unscaled step for mode   94=       -0.0000009775
 Unscaled step for mode   95=       -0.0000002676
 Unscaled step for mode   96=        0.0000002313
 Unscaled step for mode   97=        0.0000001699
 Unscaled step for mode   98=        0.0000012340
 Unscaled step for mode   99=        0.0000021882
 Unscaled step for mode  100=        0.0000016565
 Unscaled step for mode  101=       -0.0000015632
 Unscaled step for mode  102=        0.0000035865
 Unscaled step for mode  103=        0.0000021289
 Unscaled step for mode  104=       -0.0000056482
 Unscaled step for mode  105=       -0.0000020419
 Unscaled step for mode  106=       -0.0000006520
 Unscaled step for mode  107=       -0.0000080368
 Unscaled step for mode  108=       -0.0000078141
 Unscaled step for mode  109=       -0.0000066469
 Unscaled step for mode  110=       -0.0012278113
 Unscaled step for mode  111=        0.0000084296
 Unscaled step for mode  112=        0.0031790961
 Unscaled step for mode  113=        0.0097802215
 Unscaled step for mode  114=       -0.2505863795
 Largest modulus ratio of non-zero e/values=           223.1115883    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.149945E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.163400E-14    0.100670E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.358654E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.636698E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.207632E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.381219E-15    0.974181E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.969062E-05    0.744284E+03  0.130201E-07 0.100000E-04    0.997627E+00
   8   -0.105126E-04    0.674571E+03  0.155841E-07 0.100000E-04    0.980185E+00
   9   -0.890610E-05    0.629550E+03  0.141468E-07 0.100000E-04    0.953589E+00
  10    0.272964E-05    0.601588E+03 -0.453739E-08 0.100000E-04    0.928311E+00
  11   -0.217219E-05    0.586769E+03  0.370195E-08 0.100000E-04    0.986415E+00
  12   -0.162109E-04    0.578132E+03  0.280401E-07 0.100000E-04    0.965578E+00
  13   -0.346705E-05    0.566282E+03  0.612248E-08 0.100000E-04    0.964400E+00
  14    0.884433E-05    0.487148E+03 -0.181553E-07 0.100000E-04    0.962993E+00
  15    0.858423E-06    0.461297E+03 -0.186089E-08 0.100000E-04    0.893544E+00
  16    0.440587E-05    0.460181E+03 -0.957420E-08 0.100000E-04    0.933469E+00
  17   -0.167461E-05    0.441819E+03  0.379027E-08 0.100000E-04    0.553295E+00
  18    0.121272E-05    0.428851E+03 -0.282783E-08 0.100000E-04    0.889006E+00
  19   -0.194665E-04    0.422069E+03  0.461215E-07 0.100000E-04    0.989665E+00
  20   -0.303206E-07    0.408461E+03  0.742314E-10 0.109000E-04    0.197276E+00
  21   -0.528956E-07    0.396579E+03  0.133380E-09 0.100000E-04    0.248192E+00
  22   -0.156852E-04    0.387975E+03  0.404282E-07 0.100000E-04    0.994806E+00
  23    0.808971E-05    0.369657E+03 -0.218843E-07 0.100000E-04    0.933542E+00
  24   -0.102349E-04    0.360554E+03  0.283866E-07 0.100000E-04    0.992442E+00
  25   -0.234599E-04    0.349562E+03  0.671122E-07 0.100000E-04    0.996404E+00
  26   -0.326418E-04    0.335063E+03  0.974200E-07 0.100000E-04    0.986361E+00
  27   -0.136206E-04    0.328699E+03  0.414378E-07 0.100000E-04    0.978311E+00
  28    0.660260E-05    0.321897E+03 -0.205115E-07 0.100000E-04    0.939734E+00
  29   -0.313137E-04    0.318984E+03  0.981671E-07 0.100000E-04    0.980640E+00
  30   -0.289216E-04    0.309938E+03  0.933142E-07 0.100000E-04    0.973311E+00
  31   -0.310059E-04    0.301243E+03  0.102927E-06 0.100000E-04    0.978998E+00
  32   -0.197284E-04    0.290298E+03  0.679591E-07 0.100000E-04    0.976196E+00
  33    0.130250E-04    0.278439E+03 -0.467786E-07 0.100000E-04    0.963457E+00
  34   -0.196669E-04    0.272333E+03  0.722163E-07 0.100000E-04    0.981139E+00
  35    0.293957E-04    0.268201E+03 -0.109603E-06 0.100000E-04    0.987502E+00
  36    0.346505E-04    0.264797E+03 -0.130857E-06 0.100000E-04    0.984228E+00
  37    0.149585E-04    0.263066E+03 -0.568621E-07 0.100000E-04    0.968631E+00
  38    0.734869E-05    0.253433E+03 -0.289965E-07 0.100000E-04    0.999594E+00
  39   -0.201552E-04    0.241515E+03  0.834533E-07 0.100000E-04    0.992294E+00
  40   -0.413903E-04    0.240370E+03  0.172194E-06 0.100000E-04    0.995042E+00
  41   -0.510570E-04    0.233746E+03  0.218429E-06 0.100000E-04    0.999645E+00
  42   -0.324727E-04    0.227478E+03  0.142751E-06 0.100000E-04    0.974752E+00
  43   -0.168023E-04    0.217077E+03  0.774025E-07 0.100000E-04    0.998537E+00
  44   -0.562323E-04    0.214834E+03  0.261748E-06 0.100000E-04    0.986255E+00
  45    0.157063E-04    0.213279E+03 -0.736417E-07 0.100000E-04    0.982868E+00
  46    0.407348E-04    0.207426E+03 -0.196383E-06 0.100000E-04    0.994880E+00
  47   -0.269927E-04    0.203212E+03  0.132831E-06 0.100000E-04    0.991922E+00
  48   -0.122850E-05    0.195892E+03  0.627133E-08 0.100000E-04    0.103559E+01
  49    0.354983E-04    0.194742E+03 -0.182284E-06 0.100000E-04    0.987532E+00
  50    0.663948E-05    0.191293E+03 -0.347084E-07 0.100000E-04    0.699882E+00
  51   -0.155814E-04    0.182863E+03  0.852081E-07 0.100000E-04    0.990194E+00
  52    0.636852E-05    0.174080E+03 -0.365839E-07 0.100000E-04    0.952725E+00
  53    0.137014E-04    0.172312E+03 -0.795148E-07 0.100000E-04    0.991959E+00
  54   -0.263429E-04    0.168030E+03  0.156775E-06 0.100000E-04    0.993360E+00
  55    0.278634E-04    0.163543E+03 -0.170374E-06 0.100000E-04    0.992168E+00
  56    0.145474E-04    0.157144E+03 -0.925736E-07 0.100000E-04    0.986807E+00
  57   -0.145969E-04    0.154721E+03  0.943436E-07 0.100000E-04    0.984213E+00
  58   -0.304448E-04    0.152219E+03  0.200007E-06 0.100000E-04    0.992623E+00
  59   -0.110072E-04    0.147041E+03  0.748583E-07 0.100000E-04    0.996182E+00
  60   -0.220119E-04    0.143504E+03  0.153389E-06 0.100000E-04    0.992369E+00
  61   -0.254141E-04    0.137827E+03  0.184392E-06 0.100000E-04    0.951802E+00
  62   -0.230941E-04    0.135893E+03  0.169943E-06 0.100000E-04    0.993560E+00
  63   -0.438417E-05    0.130425E+03  0.336146E-07 0.100000E-04    0.296576E+00
  64    0.416162E-04    0.128717E+03 -0.323314E-06 0.100000E-04    0.985541E+00
  65   -0.105256E-04    0.126775E+03  0.830260E-07 0.100000E-04    0.901930E+00
  66    0.933187E-06    0.124573E+03 -0.749108E-08 0.100000E-04    0.567207E+00
  67    0.306019E-04    0.119960E+03 -0.255101E-06 0.100000E-04    0.970261E+00
  68    0.452153E-05    0.118160E+03 -0.382662E-07 0.100000E-04    0.952615E+00
  69    0.821132E-05    0.117044E+03 -0.701556E-07 0.100000E-04    0.976545E+00
  70    0.409948E-04    0.110340E+03 -0.371530E-06 0.100000E-04    0.977245E+00
  71    0.789514E-05    0.106997E+03 -0.737886E-07 0.100000E-04    0.980302E+00
  72    0.842093E-04    0.104401E+03 -0.806597E-06 0.100000E-04    0.989667E+00
  73    0.206651E-04    0.102890E+03 -0.200847E-06 0.100000E-04    0.977980E+00
  74    0.148580E-04    0.996094E+02 -0.149163E-06 0.100000E-04    0.975905E+00
  75   -0.695775E-04    0.960650E+02  0.724276E-06 0.100000E-04    0.987065E+00
  76   -0.121429E-05    0.941905E+02  0.128919E-07 0.100000E-04    0.103681E+01
  77    0.588289E-04    0.923882E+02 -0.636757E-06 0.100000E-04    0.997479E+00
  78    0.166435E-04    0.910779E+02 -0.182739E-06 0.100000E-04    0.978906E+00
  79    0.578045E-05    0.886987E+02 -0.651694E-07 0.100000E-04    0.991846E+00
  80   -0.185160E-04    0.854674E+02  0.216645E-06 0.100000E-04    0.981159E+00
  81    0.365152E-04    0.808285E+02 -0.451762E-06 0.100000E-04    0.989403E+00
  82   -0.288634E-04    0.802455E+02  0.359688E-06 0.100000E-04    0.972678E+00
  83   -0.106646E-04    0.780553E+02  0.136629E-06 0.100000E-04    0.936963E+00
  84    0.492019E-04    0.733136E+02 -0.671116E-06 0.100000E-04    0.966952E+00
  85   -0.487801E-05    0.727461E+02  0.670552E-07 0.100000E-04    0.378500E+00
  86   -0.176796E-04    0.680827E+02  0.259678E-06 0.100000E-04    0.967237E+00
  87    0.398353E-04    0.650116E+02 -0.612740E-06 0.100000E-04    0.968915E+00
  88   -0.285034E-04    0.617296E+02  0.461747E-06 0.100000E-04    0.992079E+00
  89   -0.303505E-04    0.599468E+02  0.506290E-06 0.100000E-04    0.947560E+00
  90   -0.452445E-04    0.593940E+02  0.761768E-06 0.100000E-04    0.991742E+00
  91    0.381465E-04    0.583514E+02 -0.653737E-06 0.100000E-04    0.941520E+00
  92   -0.713583E-04    0.559668E+02  0.127501E-05 0.100000E-04    0.971945E+00
  93   -0.494909E-04    0.525180E+02  0.942361E-06 0.100000E-04    0.969703E+00
  94    0.510169E-04    0.521930E+02 -0.977467E-06 0.100000E-04    0.989220E+00
  95    0.133971E-04    0.500624E+02 -0.267608E-06 0.100000E-04    0.818942E+00
  96   -0.107512E-04    0.464794E+02  0.231312E-06 0.100000E-04    0.922054E+00
  97   -0.732910E-05    0.431468E+02  0.169864E-06 0.100000E-04    0.691727E+00
  98   -0.503909E-04    0.408370E+02  0.123395E-05 0.100000E-04    0.981427E+00
  99   -0.829490E-04    0.379071E+02  0.218822E-05 0.100000E-04    0.965002E+00
 100   -0.603291E-04    0.364206E+02  0.165646E-05 0.100000E-04    0.987278E+00
 101    0.509797E-04    0.326120E+02 -0.156322E-05 0.100000E-04    0.830830E+00
 102   -0.103326E-03    0.288097E+02  0.358650E-05 0.100000E-04    0.982355E+00
 103   -0.605836E-04    0.284574E+02  0.212892E-05 0.100000E-04    0.991454E+00
 104    0.148743E-03    0.263346E+02 -0.564820E-05 0.100000E-04    0.974520E+00
 105    0.475536E-04    0.232890E+02 -0.204189E-05 0.100000E-04    0.943089E+00
 106    0.138555E-04    0.212523E+02 -0.651953E-06 0.100000E-04    0.898189E+00
 107    0.160845E-03    0.200136E+02 -0.803680E-05 0.100000E-04    0.877890E+00
 108    0.129485E-03    0.165707E+02 -0.781411E-05 0.100000E-04    0.876780E+00
 109    0.922620E-04    0.138805E+02 -0.664688E-05 0.100000E-04    0.998371E+00
 110    0.150270E-01    0.122388E+02 -0.100000E-04 0.100000E-04    0.653521E+00
 111   -0.850358E-04    0.100877E+02  0.842962E-05 0.100000E-04    0.982016E+00
 112   -0.273383E-01    0.859931E+01  0.381988E-04 0.381988E-04    0.300549E-01
 113   -0.571642E-01    0.584431E+01  0.168380E-03 0.168380E-03    0.217326E+00
 114   -0.891946E+00    0.333593E+01 -0.400000E-03 0.400000E-03    0.106473E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2505863795    

 Beginning of optimization cycle  491.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3066076007
 potential> RMS force:                                               0.0838782966   |gradient|=.8955751362    
 Eigenvalues of the Hessian matrix:
   744.36936    674.56701    629.58219    601.55956    586.75886    578.17019 
   566.25415    487.16941    461.27240    460.16917    441.81904    428.85585 
   422.06715    408.45302    396.57228    387.96182    369.67260    360.55025 
   349.55324    335.06869    328.72137    321.89957    318.97654    309.92344 
   301.22282    290.30981    278.44717    272.34794    268.21156    264.79943 
   263.09554    253.42407    241.51092    240.38606    233.74800    227.47365 
   217.06626    214.83762    213.28138    207.43232    203.20474    195.87689 
   194.74170    191.29342    182.85936    174.08407    172.31122    168.03627 
   163.53136    157.13187    154.72603    152.22290    147.02787    143.50205 
   137.83419    135.89222    130.42200    128.72117    126.77967    124.56019 
   119.96084    118.16034    117.04061    110.33909    106.99203    104.40029 
   102.88713     99.60735     96.06907     94.19043     92.36974     91.08195 
    88.68953     85.47123     80.82774     80.25177     78.05219     73.31641 
    72.74450     68.07906     65.00347     61.71417     59.94458     59.39456 
    58.34241     55.96440     52.51668     52.18927     50.06525     46.46956 
    43.15261     40.84003     37.90759     36.41771     32.59842     28.81120 
    28.45657     26.32982     23.29034     21.25612     20.00531     16.56719 
    13.88124     12.23883     10.08822      8.60655      5.83737      3.32994 
overlap for current and previous eigenvector    109 is         0.9999994435
overlap for current and previous eigenvector    110 is         0.9999997945
overlap for current and previous eigenvector    111 is         0.9999992942
overlap for current and previous eigenvector    112 is        -0.9999985026
overlap for current and previous eigenvector    113 is         0.9999963549
overlap for current and previous eigenvector    114 is         0.9999975514
J1,K1,R1,R2,RAT=   7   7    0.2180945602E-03     1.999551900        0.9995518996    
FOB,PFOB,DIAG,PSTEP=   -0.9688504371E-05   -0.9690618086E-05     744.3693572        0.1302005862E-07
J1,K1,R1,R2,RAT=   8   8    0.1882406249E-01     1.981187206        0.9811759375    
FOB,PFOB,DIAG,PSTEP=   -0.1031471955E-04   -0.1051260844E-04     674.5670085        0.1558414372E-07
J1,K1,R1,R2,RAT=   9   9    0.4252122932E-01     1.957376746        0.9573767458    
FOB,PFOB,DIAG,PSTEP=   -0.8527381063E-05   -0.8906098645E-05     629.5821874        0.1414676776E-07
J1,K1,R1,R2,RAT=  10  10   -0.9411254842E-01     2.094208303        0.9058874516    
FOB,PFOB,DIAG,PSTEP=    0.2986521269E-05    0.2729640174E-05     601.5595633       -0.4537388581E-08
J1,K1,R1,R2,RAT=  11  11   -0.6388786525E-01     2.063924095        0.9361121348    
FOB,PFOB,DIAG,PSTEP=   -0.2310965126E-05   -0.2172190994E-05     586.7588590        0.3701949469E-08
J1,K1,R1,R2,RAT= 109 109    0.2575597685E-01     1.974135538        0.9741355383    
FOB,PFOB,DIAG,PSTEP=    0.8988559504E-04    0.9226202246E-04     13.88124362       -0.6646884803E-05
J1,K1,R1,R2,RAT= 110 110    0.2392076027         245.3237847        0.7607923973    
FOB,PFOB,DIAG,PSTEP=    0.1499773722E-01    0.1502701342E-01     12.23882579       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.3031264602E-02     2.002933824        0.9969687354    
FOB,PFOB,DIAG,PSTEP=   -0.8529355960E-04   -0.8503578108E-04     10.08822221        0.8429624421E-05
J1,K1,R1,R2,RAT= 112 112     167.0817688       -0.7700089702        0.2299910298    
FOB,PFOB,DIAG,PSTEP=    0.2759147168E-01   -0.2733832356E-01     8.606554903        0.3819878702E-04
J1,K1,R1,R2,RAT= 113 113   -0.8512196604         117.1692972        0.1487803396    
FOB,PFOB,DIAG,PSTEP=   -0.5800081990E-01   -0.5716416134E-01     5.837367791        0.1683796330E-03
J1,K1,R1,R2,RAT= 114 114    0.8985754890        -1340.181034        0.1014245110    
FOB,PFOB,DIAG,PSTEP=   -0.8931429498       -0.8919460688         3.329940086       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00002      0.00000      0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00002      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00002      0.00001      0.00001      0.00003 
     0.00003      0.00001     -0.00002     -0.00003     -0.00001     -0.00002 
    -0.00003     -0.00002     -0.00000      0.00004     -0.00001      0.00000 
     0.00003      0.00000      0.00001      0.00004      0.00001      0.00009 
     0.00002      0.00002     -0.00007     -0.00000     -0.00006      0.00002 
     0.00001     -0.00002      0.00004     -0.00003     -0.00001      0.00005 
    -0.00000     -0.00002      0.00004     -0.00003      0.00003      0.00004 
     0.00004     -0.00007     -0.00005      0.00005      0.00001     -0.00001 
    -0.00001     -0.00005     -0.00009     -0.00006      0.00005     -0.00011 
    -0.00006      0.00015      0.00005      0.00002      0.00015      0.00012 
     0.00009      0.01500     -0.00009      0.02759     -0.05800     -0.89314 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3895522499
 Log product of positive Hessian eigenvalues =          519.1328570257
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3299400861
 Unscaled step for mode    7=        0.0000000130
 Unscaled step for mode    8=        0.0000000153
 Unscaled step for mode    9=        0.0000000135
 Unscaled step for mode   10=       -0.0000000050
 Unscaled step for mode   11=        0.0000000039
 Unscaled step for mode   12=        0.0000000271
 Unscaled step for mode   13=        0.0000000060
 Unscaled step for mode   14=       -0.0000000176
 Unscaled step for mode   15=       -0.0000000022
 Unscaled step for mode   16=       -0.0000000101
 Unscaled step for mode   17=        0.0000000026
 Unscaled step for mode   18=       -0.0000000033
 Unscaled step for mode   19=        0.0000000467
 Unscaled step for mode   20=       -0.0000000005
 Unscaled step for mode   21=       -0.0000000005
 Unscaled step for mode   22=        0.0000000403
 Unscaled step for mode   23=       -0.0000000203
 Unscaled step for mode   24=        0.0000000280
 Unscaled step for mode   25=        0.0000000677
 Unscaled step for mode   26=        0.0000000981
 Unscaled step for mode   27=        0.0000000421
 Unscaled step for mode   28=       -0.0000000214
 Unscaled step for mode   29=        0.0000000997
 Unscaled step for mode   30=        0.0000000915
 Unscaled step for mode   31=        0.0000001012
 Unscaled step for mode   32=        0.0000000671
 Unscaled step for mode   33=       -0.0000000481
 Unscaled step for mode   34=        0.0000000734
 Unscaled step for mode   35=       -0.0000001080
 Unscaled step for mode   36=       -0.0000001301
 Unscaled step for mode   37=       -0.0000000574
 Unscaled step for mode   38=       -0.0000000289
 Unscaled step for mode   39=        0.0000000847
 Unscaled step for mode   40=        0.0000001719
 Unscaled step for mode   41=        0.0000002174
 Unscaled step for mode   42=        0.0000001402
 Unscaled step for mode   43=        0.0000000747
 Unscaled step for mode   44=        0.0000002585
 Unscaled step for mode   45=       -0.0000000756
 Unscaled step for mode   46=       -0.0000001953
 Unscaled step for mode   47=        0.0000001308
 Unscaled step for mode   48=        0.0000000032
 Unscaled step for mode   49=       -0.0000001797
 Unscaled step for mode   50=       -0.0000000269
 Unscaled step for mode   51=        0.0000000853
 Unscaled step for mode   52=       -0.0000000381
 Unscaled step for mode   53=       -0.0000000809
 Unscaled step for mode   54=       -0.0000001566
 Unscaled step for mode   55=       -0.0000001703
 Unscaled step for mode   56=       -0.0000000911
 Unscaled step for mode   57=        0.0000000975
 Unscaled step for mode   58=        0.0000001998
 Unscaled step for mode   59=        0.0000000750
 Unscaled step for mode   60=        0.0000001554
 Unscaled step for mode   61=        0.0000001942
 Unscaled step for mode   62=        0.0000001675
 Unscaled step for mode   63=        0.0000000245
 Unscaled step for mode   64=       -0.0000003269
 Unscaled step for mode   65=        0.0000000924
 Unscaled step for mode   66=       -0.0000000106
 Unscaled step for mode   67=       -0.0000002499
 Unscaled step for mode   68=       -0.0000000397
 Unscaled step for mode   69=       -0.0000000745
 Unscaled step for mode   70=       -0.0000003636
 Unscaled step for mode   71=       -0.0000000696
 Unscaled step for mode   72=       -0.0000008148
 Unscaled step for mode   73=       -0.0000002025
 Unscaled step for mode   74=       -0.0000001532
 Unscaled step for mode   75=        0.0000007290
 Unscaled step for mode   76=        0.0000000113
 Unscaled step for mode   77=        0.0000006452
 Unscaled step for mode   78=       -0.0000001832
 Unscaled step for mode   79=       -0.0000000652
 Unscaled step for mode   80=        0.0000002118
 Unscaled step for mode   81=       -0.0000004503
 Unscaled step for mode   82=        0.0000003495
 Unscaled step for mode   83=        0.0000001293
 Unscaled step for mode   84=       -0.0000006955
 Unscaled step for mode   85=        0.0000000461
 Unscaled step for mode   86=        0.0000002724
 Unscaled step for mode   87=       -0.0000006327
 Unscaled step for mode   88=        0.0000004625
 Unscaled step for mode   89=       -0.0000004882
 Unscaled step for mode   90=       -0.0000007532
 Unscaled step for mode   91=       -0.0000006883
 Unscaled step for mode   92=        0.0000012468
 Unscaled step for mode   93=        0.0000009423
 Unscaled step for mode   94=       -0.0000009885
 Unscaled step for mode   95=       -0.0000002334
 Unscaled step for mode   96=        0.0000002520
 Unscaled step for mode   97=        0.0000002513
 Unscaled step for mode   98=        0.0000012783
 Unscaled step for mode   99=        0.0000022612
 Unscaled step for mode  100=        0.0000016732
 Unscaled step for mode  101=       -0.0000014353
 Unscaled step for mode  102=        0.0000036542
 Unscaled step for mode  103=        0.0000020931
 Unscaled step for mode  104=       -0.0000057153
 Unscaled step for mode  105=       -0.0000021409
 Unscaled step for mode  106=       -0.0000007687
 Unscaled step for mode  107=       -0.0000074326
 Unscaled step for mode  108=       -0.0000071931
 Unscaled step for mode  109=       -0.0000064753
 Unscaled step for mode  110=       -0.0012254210
 Unscaled step for mode  111=        0.0000084548
 Unscaled step for mode  112=       -0.0032058342
 Unscaled step for mode  113=        0.0099351449
 Unscaled step for mode  114=       -0.2512802900
 Largest modulus ratio of non-zero e/values=           223.5383634    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.843076E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.145093E-14    0.100669E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.972117E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.423273E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.480085E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.478648E-15    0.974184E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.968850E-05    0.744369E+03  0.130157E-07 0.100000E-04    0.999552E+00
   8   -0.103147E-04    0.674567E+03  0.152909E-07 0.100000E-04    0.981176E+00
   9   -0.852738E-05    0.629582E+03  0.135445E-07 0.100000E-04    0.957377E+00
  10    0.298652E-05    0.601560E+03 -0.496463E-08 0.100000E-04    0.905887E+00
  11   -0.231097E-05    0.586759E+03  0.393853E-08 0.100000E-04    0.936112E+00
  12   -0.156442E-04    0.578170E+03  0.270580E-07 0.100000E-04    0.964909E+00
  13   -0.337406E-05    0.566254E+03  0.595856E-08 0.100000E-04    0.973177E+00
  14    0.857277E-05    0.487169E+03 -0.175971E-07 0.100000E-04    0.969207E+00
  15    0.103548E-05    0.461272E+03 -0.224483E-08 0.100000E-04    0.793734E+00
  16    0.466103E-05    0.460169E+03 -0.101290E-07 0.100000E-04    0.942084E+00
  17   -0.116540E-05    0.441819E+03  0.263774E-08 0.100000E-04    0.695924E+00
  18    0.141471E-05    0.428856E+03 -0.329881E-08 0.100000E-04    0.833437E+00
  19   -0.197108E-04    0.422067E+03  0.467007E-07 0.100000E-04    0.987447E+00
  20    0.184239E-06    0.408453E+03 -0.451066E-09 0.100000E-04    0.407647E+01
  21    0.204381E-06    0.396572E+03 -0.515369E-09 0.100000E-04    0.186390E+01
  22   -0.156291E-04    0.387962E+03  0.402852E-07 0.100000E-04    0.996428E+00
  23    0.750538E-05    0.369673E+03 -0.203028E-07 0.100000E-04    0.927689E+00
  24   -0.101089E-04    0.360550E+03  0.280374E-07 0.100000E-04    0.987690E+00
  25   -0.236639E-04    0.349553E+03  0.676975E-07 0.100000E-04    0.991306E+00
  26   -0.328585E-04    0.335069E+03  0.980651E-07 0.100000E-04    0.993361E+00
  27   -0.138274E-04    0.328721E+03  0.420643E-07 0.100000E-04    0.984811E+00
  28    0.689614E-05    0.321900E+03 -0.214233E-07 0.100000E-04    0.955543E+00
  29   -0.318151E-04    0.318977E+03  0.997411E-07 0.100000E-04    0.983990E+00
  30   -0.283704E-04    0.309923E+03  0.915402E-07 0.100000E-04    0.980943E+00
  31   -0.304847E-04    0.301223E+03  0.101203E-06 0.100000E-04    0.983187E+00
  32   -0.194891E-04    0.290310E+03  0.671321E-07 0.100000E-04    0.987790E+00
  33    0.133848E-04    0.278447E+03 -0.480696E-07 0.100000E-04    0.972371E+00
  34   -0.199896E-04    0.272348E+03  0.733974E-07 0.100000E-04    0.983591E+00
  35    0.289582E-04    0.268212E+03 -0.107968E-06 0.100000E-04    0.985039E+00
  36    0.344464E-04    0.264799E+03 -0.130085E-06 0.100000E-04    0.994089E+00
  37    0.151094E-04    0.263096E+03 -0.574293E-07 0.100000E-04    0.989912E+00
  38    0.731307E-05    0.253424E+03 -0.288571E-07 0.100000E-04    0.995154E+00
  39   -0.204483E-04    0.241511E+03  0.846680E-07 0.100000E-04    0.985460E+00
  40   -0.413220E-04    0.240386E+03  0.171899E-06 0.100000E-04    0.998219E+00
  41   -0.508148E-04    0.233748E+03  0.217391E-06 0.100000E-04    0.995239E+00
  42   -0.318808E-04    0.227474E+03  0.140152E-06 0.100000E-04    0.981770E+00
  43   -0.162235E-04    0.217066E+03  0.747398E-07 0.100000E-04    0.965552E+00
  44   -0.555349E-04    0.214838E+03  0.258497E-06 0.100000E-04    0.987562E+00
  45    0.161149E-04    0.213281E+03 -0.755568E-07 0.100000E-04    0.973985E+00
  46    0.405176E-04    0.207432E+03 -0.195329E-06 0.100000E-04    0.994603E+00
  47   -0.265748E-04    0.203205E+03  0.130779E-06 0.100000E-04    0.984519E+00
  48   -0.623632E-06    0.195877E+03  0.318380E-08 0.100000E-04    0.507597E+00
  49    0.350031E-04    0.194742E+03 -0.179741E-06 0.100000E-04    0.986050E+00
  50    0.514899E-05    0.191293E+03 -0.269167E-07 0.100000E-04    0.775507E+00
  51   -0.156052E-04    0.182859E+03  0.853399E-07 0.100000E-04    0.998475E+00
  52    0.662486E-05    0.174084E+03 -0.380555E-07 0.100000E-04    0.959750E+00
  53    0.139376E-04    0.172311E+03 -0.808861E-07 0.100000E-04    0.982761E+00
  54    0.263192E-04    0.168036E+03 -0.156628E-06 0.100000E-04    0.999028E+00
  55    0.278423E-04    0.163531E+03 -0.170257E-06 0.100000E-04    0.999242E+00
  56    0.143077E-04    0.157132E+03 -0.910553E-07 0.100000E-04    0.983522E+00
  57   -0.150811E-04    0.154726E+03  0.974694E-07 0.100000E-04    0.966833E+00
  58   -0.304175E-04    0.152223E+03  0.199822E-06 0.100000E-04    0.999050E+00
  59   -0.110252E-04    0.147028E+03  0.749869E-07 0.100000E-04    0.998372E+00
  60   -0.223055E-04    0.143502E+03  0.155437E-06 0.100000E-04    0.986662E+00
  61   -0.267736E-04    0.137834E+03  0.194245E-06 0.100000E-04    0.946510E+00
  62   -0.227616E-04    0.135892E+03  0.167497E-06 0.100000E-04    0.985600E+00
  63   -0.319476E-05    0.130422E+03  0.244955E-07 0.100000E-04    0.728696E+00
  64    0.420847E-04    0.128721E+03 -0.326944E-06 0.100000E-04    0.988744E+00
  65   -0.117105E-04    0.126780E+03  0.923693E-07 0.100000E-04    0.887427E+00
  66    0.131699E-05    0.124560E+03 -0.105731E-07 0.100000E-04    0.588673E+00
  67    0.299748E-04    0.119961E+03 -0.249871E-06 0.100000E-04    0.979490E+00
  68    0.469420E-05    0.118160E+03 -0.397274E-07 0.100000E-04    0.961813E+00
  69    0.872237E-05    0.117041E+03 -0.745243E-07 0.100000E-04    0.937762E+00
  70    0.401181E-04    0.110339E+03 -0.363589E-06 0.100000E-04    0.978614E+00
  71    0.745051E-05    0.106992E+03 -0.696361E-07 0.100000E-04    0.943680E+00
  72    0.850621E-04    0.104400E+03 -0.814769E-06 0.100000E-04    0.989873E+00
  73    0.208325E-04    0.102887E+03 -0.202479E-06 0.100000E-04    0.991903E+00
  74    0.152552E-04    0.996074E+02 -0.153153E-06 0.100000E-04    0.973268E+00
  75   -0.700301E-04    0.960691E+02  0.728956E-06 0.100000E-04    0.993496E+00
  76   -0.106423E-05    0.941904E+02  0.112988E-07 0.100000E-04    0.876425E+00
  77   -0.595993E-04    0.923697E+02  0.645225E-06 0.100000E-04    0.986902E+00
  78    0.166896E-04    0.910820E+02 -0.183238E-06 0.100000E-04    0.997226E+00
  79    0.578157E-05    0.886895E+02 -0.651889E-07 0.100000E-04    0.999806E+00
  80   -0.181036E-04    0.854712E+02  0.211810E-06 0.100000E-04    0.977639E+00
  81    0.363955E-04    0.808277E+02 -0.450284E-06 0.100000E-04    0.996720E+00
  82   -0.280501E-04    0.802518E+02  0.349527E-06 0.100000E-04    0.971672E+00
  83   -0.100890E-04    0.780522E+02  0.129259E-06 0.100000E-04    0.946018E+00
  84    0.509951E-04    0.733164E+02 -0.695548E-06 0.100000E-04    0.963557E+00
  85   -0.334995E-05    0.727445E+02  0.460510E-07 0.100000E-04    0.686739E+00
  86   -0.185456E-04    0.680791E+02  0.272413E-06 0.100000E-04    0.951011E+00
  87    0.411262E-04    0.650035E+02 -0.632677E-06 0.100000E-04    0.967589E+00
  88   -0.285449E-04    0.617142E+02  0.462535E-06 0.100000E-04    0.998543E+00
  89    0.292657E-04    0.599446E+02 -0.488213E-06 0.100000E-04    0.964258E+00
  90    0.447344E-04    0.593946E+02 -0.753173E-06 0.100000E-04    0.988708E+00
  91    0.401571E-04    0.583424E+02 -0.688301E-06 0.100000E-04    0.947283E+00
  92   -0.697788E-04    0.559644E+02  0.124684E-05 0.100000E-04    0.977864E+00
  93   -0.494873E-04    0.525167E+02  0.942316E-06 0.100000E-04    0.999927E+00
  94    0.515868E-04    0.521893E+02 -0.988456E-06 0.100000E-04    0.988829E+00
  95    0.116865E-04    0.500652E+02 -0.233425E-06 0.100000E-04    0.872209E+00
  96   -0.117126E-04    0.464696E+02  0.252049E-06 0.100000E-04    0.910560E+00
  97   -0.108437E-04    0.431526E+02  0.251288E-06 0.100000E-04    0.520517E+00
  98   -0.522060E-04    0.408400E+02  0.127830E-05 0.100000E-04    0.963982E+00
  99   -0.857149E-04    0.379076E+02  0.226115E-05 0.100000E-04    0.966656E+00
 100   -0.609348E-04    0.364177E+02  0.167322E-05 0.100000E-04    0.989959E+00
 101    0.467894E-04    0.325984E+02 -0.143533E-05 0.100000E-04    0.917770E+00
 102   -0.105281E-03    0.288112E+02  0.365416E-05 0.100000E-04    0.981083E+00
 103   -0.595621E-04    0.284566E+02  0.209309E-05 0.100000E-04    0.983138E+00
 104    0.150484E-03    0.263298E+02 -0.571534E-05 0.100000E-04    0.988295E+00
 105    0.498621E-04    0.232903E+02 -0.214089E-05 0.100000E-04    0.951457E+00
 106    0.163401E-04    0.212561E+02 -0.768723E-06 0.100000E-04    0.820713E+00
 107    0.148691E-03    0.200053E+02 -0.743257E-05 0.100000E-04    0.924402E+00
 108    0.119169E-03    0.165672E+02 -0.719306E-05 0.100000E-04    0.920313E+00
 109    0.898856E-04    0.138812E+02 -0.647533E-05 0.100000E-04    0.974136E+00
 110    0.149977E-01    0.122388E+02 -0.100000E-04 0.100000E-04    0.760792E+00
 111   -0.852936E-04    0.100882E+02  0.845477E-05 0.100000E-04    0.996969E+00
 112    0.275915E-01    0.860655E+01 -0.344133E-04 0.344133E-04    0.229991E+00
 113   -0.580008E-01    0.583737E+01  0.183534E-03 0.183534E-03    0.148780E+00
 114   -0.893143E+00    0.332994E+01 -0.400000E-03 0.400000E-03    0.101425E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2512802900    

 Beginning of optimization cycle  492.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3062617210
 potential> RMS force:                                               0.0839950683   |gradient|=.8968219167    
 Eigenvalues of the Hessian matrix:
   744.45602    674.56151    629.61519    601.53106    586.74762    578.20896 
   566.22443    487.19036    461.24773    460.15664    441.81866    428.86202 
   422.06522    408.44419    396.56578    387.94843    369.68780    360.54657 
   349.54475    335.07517    328.74407    321.90174    318.97004    309.90934 
   301.20322    290.32185    278.45669    272.36313    268.22278    264.80252 
   263.12628    253.41513    241.50753    240.40230    233.75063    227.46967 
   217.05673    214.84138    213.28332    207.43931    203.19773    195.86154 
   194.74177    191.29399    182.85603    174.08849    172.31000    168.04253 
   163.51938    157.11955    154.73158    152.22670    147.01440    143.49981 
   137.84214    135.89109    130.41890    128.72503    126.78458    124.54674 
   119.96186    118.16064    117.03635    110.33779    106.98706    104.39976 
   102.88442     99.60516     96.07299     94.19006     92.35127     91.08618 
    88.68011     85.47524     80.82698     80.25839     78.04895     73.31887 
    72.74237     68.07502     64.99506     61.69870     59.94219     59.39493 
    58.33307     55.96164     52.51518     52.18521     50.06817     46.45938 
    43.15864     40.84305     37.90782     36.41399     32.58470     28.81267 
    28.45578     26.32513     23.29180     21.25972     19.99710     16.56359 
    13.88199     12.23878     10.08872      8.61435      5.83049      3.32393 
overlap for current and previous eigenvector    109 is         0.9999993717
overlap for current and previous eigenvector    110 is         0.9999997730
overlap for current and previous eigenvector    111 is         0.9999991839
overlap for current and previous eigenvector    112 is         0.9999982714
overlap for current and previous eigenvector    113 is         0.9999959245
overlap for current and previous eigenvector    114 is         0.9999972531
J1,K1,R1,R2,RAT=   7   7   -0.4729320672E-02     2.004496486        0.9952706793    
FOB,PFOB,DIAG,PSTEP=   -0.9734329750E-05   -0.9688504371E-05     744.4560249        0.1301572167E-07
J1,K1,R1,R2,RAT=   8   8   -0.2019925107E-01     2.020215544        0.9798007489    
FOB,PFOB,DIAG,PSTEP=   -0.1052306747E-04   -0.1031471955E-04     674.5615133        0.1529087463E-07
J1,K1,R1,R2,RAT=   9   9   -0.4738451784E-01     2.047279683        0.9526154822    
FOB,PFOB,DIAG,PSTEP=   -0.8931468084E-05   -0.8527381063E-05     629.6151902        0.1354450814E-07
J1,K1,R1,R2,RAT=  10  10    0.7956145022E-01     1.920533306        0.9204385498    
FOB,PFOB,DIAG,PSTEP=    0.2748920562E-05    0.2986521269E-05     601.5310639       -0.4964631020E-08
J1,K1,R1,R2,RAT=  11  11    0.8939284636E-02     1.991099013        0.9910607154    
FOB,PFOB,DIAG,PSTEP=   -0.2290307147E-05   -0.2310965126E-05     586.7476234        0.3938526177E-08
J1,K1,R1,R2,RAT= 109 109   -0.8556274924E-02     2.008449244        0.9914437251    
FOB,PFOB,DIAG,PSTEP=    0.9065472206E-04    0.8988559504E-04     13.88198652       -0.6475327248E-05
J1,K1,R1,R2,RAT= 110 110    0.3357515269         244.7497668        0.6642484731    
FOB,PFOB,DIAG,PSTEP=    0.1495664533E-01    0.1499773722E-01     12.23877879       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.7204687835E-02     1.992696360        0.9926963597    
FOB,PFOB,DIAG,PSTEP=   -0.8467901572E-04   -0.8529355960E-04     10.08872136        0.8454766148E-05
J1,K1,R1,R2,RAT= 112 112    -1.026870729         187.1736960        0.2687072861E-01
FOB,PFOB,DIAG,PSTEP=    0.2789588594E-01    0.2759147168E-01     8.614352394       -0.3441332164E-04
J1,K1,R1,R2,RAT= 113 113   -0.8118459197         109.2153307        0.1881540803    
FOB,PFOB,DIAG,PSTEP=   -0.5886956926E-01   -0.5800081990E-01     5.830486960        0.1835338000E-03
J1,K1,R1,R2,RAT= 114 114    0.8910007488        -1344.394043        0.1089992512    
FOB,PFOB,DIAG,PSTEP=   -0.8943276007       -0.8931429498         3.323933485       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00003 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00002      0.00001      0.00001      0.00003 
     0.00003      0.00001     -0.00001     -0.00003     -0.00001     -0.00002 
     0.00003      0.00002      0.00000     -0.00004      0.00001      0.00000 
    -0.00003      0.00000      0.00001      0.00004      0.00001      0.00008 
     0.00002     -0.00001     -0.00007     -0.00000      0.00006      0.00002 
    -0.00001     -0.00002      0.00004     -0.00003     -0.00001      0.00005 
    -0.00001     -0.00002      0.00004     -0.00003      0.00003      0.00005 
     0.00004     -0.00007     -0.00005      0.00005      0.00001      0.00001 
     0.00001      0.00005      0.00008     -0.00006      0.00005     -0.00010 
    -0.00006      0.00015      0.00005      0.00002      0.00016      0.00013 
     0.00009      0.01496     -0.00008      0.02790     -0.05887     -0.89433 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3892869511
 Log product of positive Hessian eigenvalues =          519.1288195957
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3239334848
 Unscaled step for mode    7=        0.0000000131
 Unscaled step for mode    8=        0.0000000156
 Unscaled step for mode    9=        0.0000000142
 Unscaled step for mode   10=       -0.0000000046
 Unscaled step for mode   11=        0.0000000039
 Unscaled step for mode   12=        0.0000000280
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000182
 Unscaled step for mode   15=       -0.0000000020
 Unscaled step for mode   16=       -0.0000000095
 Unscaled step for mode   17=        0.0000000039
 Unscaled step for mode   18=       -0.0000000029
 Unscaled step for mode   19=        0.0000000462
 Unscaled step for mode   20=        0.0000000000
 Unscaled step for mode   21=        0.0000000002
 Unscaled step for mode   22=        0.0000000404
 Unscaled step for mode   23=       -0.0000000217
 Unscaled step for mode   24=        0.0000000284
 Unscaled step for mode   25=        0.0000000673
 Unscaled step for mode   26=        0.0000000970
 Unscaled step for mode   27=        0.0000000414
 Unscaled step for mode   28=       -0.0000000203
 Unscaled step for mode   29=        0.0000000983
 Unscaled step for mode   30=        0.0000000931
 Unscaled step for mode   31=        0.0000001032
 Unscaled step for mode   32=        0.0000000682
 Unscaled step for mode   33=       -0.0000000465
 Unscaled step for mode   34=        0.0000000723
 Unscaled step for mode   35=       -0.0000001090
 Unscaled step for mode   36=       -0.0000001316
 Unscaled step for mode   37=       -0.0000000555
 Unscaled step for mode   38=       -0.0000000291
 Unscaled step for mode   39=        0.0000000842
 Unscaled step for mode   40=        0.0000001726
 Unscaled step for mode   41=        0.0000002177
 Unscaled step for mode   42=        0.0000001428
 Unscaled step for mode   43=        0.0000000744
 Unscaled step for mode   44=        0.0000002618
 Unscaled step for mode   45=       -0.0000000767
 Unscaled step for mode   46=       -0.0000001965
 Unscaled step for mode   47=        0.0000001318
 Unscaled step for mode   48=        0.0000000069
 Unscaled step for mode   49=       -0.0000001820
 Unscaled step for mode   50=       -0.0000000344
 Unscaled step for mode   51=        0.0000000846
 Unscaled step for mode   52=       -0.0000000367
 Unscaled step for mode   53=       -0.0000000802
 Unscaled step for mode   54=       -0.0000001573
 Unscaled step for mode   55=       -0.0000001706
 Unscaled step for mode   56=       -0.0000000922
 Unscaled step for mode   57=        0.0000000953
 Unscaled step for mode   58=        0.0000002004
 Unscaled step for mode   59=        0.0000000747
 Unscaled step for mode   60=        0.0000001536
 Unscaled step for mode   61=       -0.0000001849
 Unscaled step for mode   62=       -0.0000001685
 Unscaled step for mode   63=       -0.0000000367
 Unscaled step for mode   64=        0.0000003229
 Unscaled step for mode   65=       -0.0000000829
 Unscaled step for mode   66=       -0.0000000050
 Unscaled step for mode   67=        0.0000002562
 Unscaled step for mode   68=       -0.0000000376
 Unscaled step for mode   69=       -0.0000000715
 Unscaled step for mode   70=       -0.0000003714
 Unscaled step for mode   71=       -0.0000000712
 Unscaled step for mode   72=       -0.0000008073
 Unscaled step for mode   73=       -0.0000001974
 Unscaled step for mode   74=        0.0000001480
 Unscaled step for mode   75=        0.0000007186
 Unscaled step for mode   76=        0.0000000197
 Unscaled step for mode   77=       -0.0000006441
 Unscaled step for mode   78=       -0.0000001873
 Unscaled step for mode   79=        0.0000000650
 Unscaled step for mode   80=        0.0000002158
 Unscaled step for mode   81=       -0.0000004541
 Unscaled step for mode   82=        0.0000003584
 Unscaled step for mode   83=        0.0000001375
 Unscaled step for mode   84=       -0.0000006722
 Unscaled step for mode   85=        0.0000000717
 Unscaled step for mode   86=        0.0000002632
 Unscaled step for mode   87=       -0.0000006171
 Unscaled step for mode   88=        0.0000004550
 Unscaled step for mode   89=       -0.0000005141
 Unscaled step for mode   90=       -0.0000007609
 Unscaled step for mode   91=       -0.0000006602
 Unscaled step for mode   92=        0.0000012756
 Unscaled step for mode   93=        0.0000009615
 Unscaled step for mode   94=       -0.0000009760
 Unscaled step for mode   95=       -0.0000002746
 Unscaled step for mode   96=       -0.0000002426
 Unscaled step for mode   97=       -0.0000001759
 Unscaled step for mode   98=       -0.0000012433
 Unscaled step for mode   99=       -0.0000021825
 Unscaled step for mode  100=        0.0000016523
 Unscaled step for mode  101=       -0.0000016041
 Unscaled step for mode  102=        0.0000035957
 Unscaled step for mode  103=        0.0000021193
 Unscaled step for mode  104=       -0.0000056166
 Unscaled step for mode  105=       -0.0000020535
 Unscaled step for mode  106=       -0.0000007077
 Unscaled step for mode  107=       -0.0000081402
 Unscaled step for mode  108=       -0.0000079049
 Unscaled step for mode  109=       -0.0000065304
 Unscaled step for mode  110=       -0.0012220683
 Unscaled step for mode  111=        0.0000083934
 Unscaled step for mode  112=       -0.0032382694
 Unscaled step for mode  113=        0.0100958238
 Unscaled step for mode  114=       -0.2519742977
 Largest modulus ratio of non-zero e/values=           223.9683881    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.103346E-14    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.126922E-14    0.100669E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.248881E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.664609E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.178026E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.840067E-15    0.974186E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.973433E-05    0.744456E+03  0.130758E-07 0.100000E-04    0.995271E+00
   8   -0.105231E-04    0.674562E+03  0.155999E-07 0.100000E-04    0.979801E+00
   9   -0.893147E-05    0.629615E+03  0.141856E-07 0.100000E-04    0.952615E+00
  10    0.274892E-05    0.601531E+03 -0.456987E-08 0.100000E-04    0.920439E+00
  11   -0.229031E-05    0.586748E+03  0.390339E-08 0.100000E-04    0.991061E+00
  12   -0.161946E-04    0.578209E+03  0.280082E-07 0.100000E-04    0.964818E+00
  13   -0.348394E-05    0.566224E+03  0.615293E-08 0.100000E-04    0.967431E+00
  14    0.888310E-05    0.487190E+03 -0.182333E-07 0.100000E-04    0.963802E+00
  15    0.924791E-06    0.461248E+03 -0.200498E-08 0.100000E-04    0.893100E+00
  16    0.436928E-05    0.460157E+03 -0.949520E-08 0.100000E-04    0.937404E+00
  17   -0.170279E-05    0.441819E+03  0.385405E-08 0.100000E-04    0.538881E+00
  18    0.126483E-05    0.428862E+03 -0.294926E-08 0.100000E-04    0.894024E+00
  19   -0.195139E-04    0.422065E+03  0.462344E-07 0.100000E-04    0.990009E+00
  20   -0.798899E-10    0.408444E+03  0.195596E-12 0.109000E-04    0.412002E-03
  21   -0.813361E-07    0.396566E+03  0.205101E-09 0.100000E-04    0.397953E+00
  22   -0.156814E-04    0.387948E+03  0.404213E-07 0.100000E-04    0.996658E+00
  23    0.802926E-05    0.369688E+03 -0.217190E-07 0.100000E-04    0.930202E+00
  24   -0.102367E-04    0.360547E+03  0.283922E-07 0.100000E-04    0.987356E+00
  25   -0.235330E-04    0.349545E+03  0.673248E-07 0.100000E-04    0.994471E+00
  26   -0.325164E-04    0.335075E+03  0.970420E-07 0.100000E-04    0.989548E+00
  27   -0.135982E-04    0.328744E+03  0.413640E-07 0.100000E-04    0.983282E+00
  28    0.653176E-05    0.321902E+03 -0.202912E-07 0.100000E-04    0.947150E+00
  29   -0.313630E-04    0.318970E+03  0.983259E-07 0.100000E-04    0.985791E+00
  30   -0.288523E-04    0.309909E+03  0.930991E-07 0.100000E-04    0.983015E+00
  31   -0.310793E-04    0.301203E+03  0.103184E-06 0.100000E-04    0.980493E+00
  32   -0.198106E-04    0.290322E+03  0.682365E-07 0.100000E-04    0.983507E+00
  33    0.129413E-04    0.278457E+03 -0.464750E-07 0.100000E-04    0.966794E+00
  34   -0.196939E-04    0.272363E+03  0.723076E-07 0.100000E-04    0.985096E+00
  35    0.292481E-04    0.268223E+03 -0.109044E-06 0.100000E-04    0.989990E+00
  36    0.348565E-04    0.264803E+03 -0.131632E-06 0.100000E-04    0.988093E+00
  37    0.145934E-04    0.263126E+03 -0.554614E-07 0.100000E-04    0.965617E+00
  38    0.737292E-05    0.253415E+03 -0.290942E-07 0.100000E-04    0.991817E+00
  39   -0.203384E-04    0.241508E+03  0.842145E-07 0.100000E-04    0.994629E+00
  40   -0.414959E-04    0.240402E+03  0.172610E-06 0.100000E-04    0.995794E+00
  41   -0.508778E-04    0.233751E+03  0.217659E-06 0.100000E-04    0.998759E+00
  42   -0.324752E-04    0.227470E+03  0.142767E-06 0.100000E-04    0.981355E+00
  43   -0.161431E-04    0.217057E+03  0.743725E-07 0.100000E-04    0.995041E+00
  44   -0.562497E-04    0.214841E+03  0.261820E-06 0.100000E-04    0.987129E+00
  45    0.163582E-04    0.213283E+03 -0.766972E-07 0.100000E-04    0.984898E+00
  46    0.407570E-04    0.207439E+03 -0.196477E-06 0.100000E-04    0.994089E+00
  47   -0.267719E-04    0.203198E+03  0.131753E-06 0.100000E-04    0.992585E+00
  48   -0.135267E-05    0.195862E+03  0.690627E-08 0.109000E-04    0.169114E+00
  49    0.354426E-04    0.194742E+03 -0.181998E-06 0.100000E-04    0.987444E+00
  50    0.657381E-05    0.191294E+03 -0.343649E-07 0.100000E-04    0.723284E+00
  51   -0.154778E-04    0.182856E+03  0.846446E-07 0.100000E-04    0.991835E+00
  52    0.638670E-05    0.174088E+03 -0.366865E-07 0.100000E-04    0.964001E+00
  53    0.138129E-04    0.172310E+03 -0.801631E-07 0.100000E-04    0.991054E+00
  54    0.264397E-04    0.168043E+03 -0.157339E-06 0.100000E-04    0.995422E+00
  55    0.278952E-04    0.163519E+03 -0.170593E-06 0.100000E-04    0.998100E+00
  56    0.144926E-04    0.157120E+03 -0.922394E-07 0.100000E-04    0.987074E+00
  57   -0.147512E-04    0.154732E+03  0.953340E-07 0.100000E-04    0.978055E+00
  58   -0.305090E-04    0.152227E+03  0.200418E-06 0.100000E-04    0.996989E+00
  59   -0.109760E-04    0.147014E+03  0.746594E-07 0.100000E-04    0.995542E+00
  60   -0.220417E-04    0.143500E+03  0.153601E-06 0.100000E-04    0.988173E+00
  61    0.254926E-04    0.137842E+03 -0.184941E-06 0.100000E-04    0.952042E+00
  62    0.228946E-04    0.135891E+03 -0.168477E-06 0.100000E-04    0.994158E+00
  63    0.479067E-05    0.130419E+03 -0.367329E-07 0.100000E-04    0.500446E+00
  64   -0.415697E-04    0.128725E+03  0.322934E-06 0.100000E-04    0.987705E+00
  65    0.105115E-04    0.126785E+03 -0.829083E-07 0.100000E-04    0.897536E+00
  66    0.627029E-06    0.124547E+03 -0.503449E-08 0.100000E-04    0.476051E+00
  67   -0.307332E-04    0.119962E+03  0.256191E-06 0.100000E-04    0.974699E+00
  68    0.444070E-05    0.118161E+03 -0.375818E-07 0.100000E-04    0.945991E+00
  69    0.837059E-05    0.117036E+03 -0.715213E-07 0.100000E-04    0.959668E+00
  70    0.409845E-04    0.110338E+03 -0.371446E-06 0.100000E-04    0.978404E+00
  71    0.761960E-05    0.106987E+03 -0.712199E-07 0.100000E-04    0.977303E+00
  72    0.842814E-04    0.104400E+03 -0.807295E-06 0.100000E-04    0.990821E+00
  73    0.203064E-04    0.102884E+03 -0.197371E-06 0.100000E-04    0.974746E+00
  74   -0.147366E-04    0.996052E+02  0.147951E-06 0.100000E-04    0.966006E+00
  75   -0.690336E-04    0.960730E+02  0.718553E-06 0.100000E-04    0.985689E+00
  76   -0.185699E-05    0.941901E+02  0.197153E-07 0.100000E-04    0.255094E+00
  77    0.594867E-04    0.923513E+02 -0.644135E-06 0.100000E-04    0.998111E+00
  78    0.170607E-04    0.910862E+02 -0.187303E-06 0.100000E-04    0.977768E+00
  79   -0.576589E-05    0.886801E+02  0.650190E-07 0.100000E-04    0.997288E+00
  80   -0.184487E-04    0.854752E+02  0.215836E-06 0.100000E-04    0.980943E+00
  81    0.367043E-04    0.808270E+02 -0.454109E-06 0.100000E-04    0.991515E+00
  82   -0.287673E-04    0.802584E+02  0.358433E-06 0.100000E-04    0.974435E+00
  83   -0.107293E-04    0.780490E+02  0.137469E-06 0.100000E-04    0.936525E+00
  84    0.492835E-04    0.733189E+02 -0.672180E-06 0.100000E-04    0.966370E+00
  85   -0.521420E-05    0.727424E+02  0.716804E-07 0.100000E-04    0.443484E+00
  86   -0.179142E-04    0.680750E+02  0.263153E-06 0.100000E-04    0.965950E+00
  87    0.401094E-04    0.649951E+02 -0.617115E-06 0.100000E-04    0.975274E+00
  88   -0.280729E-04    0.616987E+02  0.455000E-06 0.100000E-04    0.983458E+00
  89    0.308162E-04    0.599422E+02 -0.514099E-06 0.100000E-04    0.947018E+00
  90    0.451943E-04    0.593949E+02 -0.760911E-06 0.100000E-04    0.989720E+00
  91    0.385090E-04    0.583331E+02 -0.660158E-06 0.100000E-04    0.958953E+00
  92   -0.713848E-04    0.559616E+02  0.127560E-05 0.100000E-04    0.976983E+00
  93   -0.504930E-04    0.525152E+02  0.961494E-06 0.100000E-04    0.979677E+00
  94    0.509353E-04    0.521852E+02 -0.976048E-06 0.100000E-04    0.987369E+00
  95    0.137510E-04    0.500682E+02 -0.274646E-06 0.100000E-04    0.823348E+00
  96    0.112700E-04    0.464594E+02 -0.242577E-06 0.100000E-04    0.962197E+00
  97    0.759291E-05    0.431586E+02 -0.175930E-06 0.100000E-04    0.699973E+00
  98    0.507790E-04    0.408430E+02 -0.124327E-05 0.100000E-04    0.972520E+00
  99    0.827340E-04    0.379078E+02 -0.218251E-05 0.100000E-04    0.965212E+00
 100   -0.601682E-04    0.364140E+02  0.165234E-05 0.100000E-04    0.987417E+00
 101    0.522691E-04    0.325847E+02 -0.160410E-05 0.100000E-04    0.882835E+00
 102   -0.103603E-03    0.288127E+02  0.359574E-05 0.100000E-04    0.983961E+00
 103   -0.603050E-04    0.284558E+02  0.211925E-05 0.100000E-04    0.987527E+00
 104    0.147859E-03    0.263251E+02 -0.561664E-05 0.100000E-04    0.982554E+00
 105    0.478305E-04    0.232918E+02 -0.205353E-05 0.100000E-04    0.959132E+00
 106    0.150454E-04    0.212597E+02 -0.707696E-06 0.100000E-04    0.920444E+00
 107    0.162779E-03    0.199971E+02 -0.814015E-05 0.100000E-04    0.905210E+00
 108    0.130933E-03    0.165636E+02 -0.790488E-05 0.100000E-04    0.901257E+00
 109    0.906547E-04    0.138820E+02 -0.653039E-05 0.100000E-04    0.991444E+00
 110    0.149566E-01    0.122388E+02 -0.100000E-04 0.100000E-04    0.664248E+00
 111   -0.846790E-04    0.100887E+02  0.839343E-05 0.100000E-04    0.992696E+00
 112    0.278959E-01    0.861435E+01 -0.375105E-04 0.375105E-04    0.268707E-01
 113   -0.588696E-01    0.583049E+01  0.200052E-03 0.200052E-03    0.188154E+00
 114   -0.894328E+00    0.332393E+01 -0.400000E-03 0.400000E-03    0.108999E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2519742977    

 Beginning of optimization cycle  493.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3059165772
 potential> RMS force:                                               0.0841108516   |gradient|=.8980581449    
 Eigenvalues of the Hessian matrix:
   744.54447    674.55476    629.64998    601.50164    586.73589    578.24780 
   566.19219    487.21057    461.22255    460.14368    441.81772    428.86943 
   422.06302    408.43424    396.55899    387.93432    369.70312    360.54318 
   349.53613    335.08214    328.76717    321.90360    318.96448    309.89471 
   301.18364    290.33382    278.46734    272.37851    268.23422    264.80590 
   263.15741    253.40599    241.50434    240.41899    233.75397    227.46620 
   217.04800    214.84509    213.28497    207.44660    203.19042    195.84582 
   194.74224    191.29486    182.85334    174.09351    172.30887    168.04901 
   163.50723    157.10722    154.73740    152.23032    147.00058    143.49722 
   137.85042    135.88998    130.41555    128.72901    126.78951    124.53257 
   119.96293    118.16098    117.03173    110.33668    106.98192    104.39937 
   102.88173     99.60286     96.07668     94.18941     92.33276     91.09059 
    88.67040     85.47946     80.82626     80.26548     78.04557     73.32105 
    72.73973     68.07069     64.98635     61.68304     59.93966     59.39531 
    58.32366     55.95868     52.51358     52.18085     50.07145     46.44893 
    43.16501     40.84606     37.90790     36.40981     32.57087     28.81432 
    28.45503     26.32068     23.29323     21.26329     19.98895     16.55991 
    13.88275     12.23872     10.08916      8.62313      5.82386      3.31788 
overlap for current and previous eigenvector    109 is         0.9999992776
overlap for current and previous eigenvector    110 is         0.9999997651
overlap for current and previous eigenvector    111 is         0.9999990729
overlap for current and previous eigenvector    112 is        -0.9999978412
overlap for current and previous eigenvector    113 is         0.9999951361
overlap for current and previous eigenvector    114 is         0.9999968017
J1,K1,R1,R2,RAT=   7   7   -0.5768397905E-02     2.005530825        0.9942316021    
FOB,PFOB,DIAG,PSTEP=   -0.9790487908E-05   -0.9734329750E-05     744.5444667        0.1307576193E-07
J1,K1,R1,R2,RAT=   8   8   -0.2137036922E-01     2.021390394        0.9786296308    
FOB,PFOB,DIAG,PSTEP=   -0.1074794705E-04   -0.1052306747E-04     674.5547595        0.1559986341E-07
J1,K1,R1,R2,RAT=   9   9   -0.6519170861E-01     2.065081193        0.9348082914    
FOB,PFOB,DIAG,PSTEP=   -0.9513757925E-05   -0.8931468084E-05     629.6499833        0.1418559816E-07
J1,K1,R1,R2,RAT=  10  10    0.3641503618E-01     1.963682809        0.9635849638    
FOB,PFOB,DIAG,PSTEP=    0.2648823418E-05    0.2748920562E-05     601.5016367       -0.4569872992E-08
J1,K1,R1,R2,RAT=  11  11    0.4158684544E-01     1.958453155        0.9584131546    
FOB,PFOB,DIAG,PSTEP=   -0.2195062402E-05   -0.2290307147E-05     586.7358887        0.3903393990E-08
J1,K1,R1,R2,RAT= 109 109   -0.3159220183E-01     2.031482262        0.9684077982    
FOB,PFOB,DIAG,PSTEP=    0.9351886178E-04    0.9065472206E-04     13.88274965       -0.6530385400E-05
J1,K1,R1,R2,RAT= 110 110    0.4265996991         243.9885990        0.5734003009    
FOB,PFOB,DIAG,PSTEP=    0.1490443499E-01    0.1495664533E-01     12.23871953       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2936836751E-01     2.029280792        0.9706316325    
FOB,PFOB,DIAG,PSTEP=   -0.8716600907E-04   -0.8467901572E-04     10.08916314        0.8393433886E-05
J1,K1,R1,R2,RAT= 112 112     173.4465656       -0.9611934735        0.3880652652E-01
FOB,PFOB,DIAG,PSTEP=   -0.2820679165E-01    0.2789588594E-01     8.623127208       -0.3751052059E-04
J1,K1,R1,R2,RAT= 113 113   -0.8051581648         101.8624507        0.1948418352    
FOB,PFOB,DIAG,PSTEP=   -0.5980763743E-01   -0.5886956926E-01     5.823856166        0.2000518420E-03
J1,K1,R1,R2,RAT= 114 114    0.8805625625        -1348.619753        0.1194374375    
FOB,PFOB,DIAG,PSTEP=   -0.8954962414       -0.8943276007         3.317880815       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00002      0.00001      0.00001     -0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001     -0.00002 
    -0.00002     -0.00002     -0.00001     -0.00004      0.00001      0.00000 
     0.00003     -0.00000     -0.00001      0.00004     -0.00001     -0.00008 
    -0.00002     -0.00001     -0.00007     -0.00000      0.00006     -0.00002 
    -0.00001      0.00002     -0.00004      0.00003     -0.00001      0.00005 
    -0.00001     -0.00002      0.00004     -0.00003      0.00003      0.00005 
     0.00004     -0.00007      0.00005     -0.00005     -0.00002     -0.00001 
    -0.00000     -0.00005     -0.00008     -0.00006      0.00006     -0.00010 
    -0.00006      0.00015      0.00004      0.00001      0.00018      0.00015 
     0.00009      0.01490     -0.00009     -0.02821     -0.05981     -0.89550 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3890200393
 Log product of positive Hessian eigenvalues =          519.1248872755
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3178808147
 Unscaled step for mode    7=        0.0000000131
 Unscaled step for mode    8=        0.0000000159
 Unscaled step for mode    9=        0.0000000151
 Unscaled step for mode   10=       -0.0000000044
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000293
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000189
 Unscaled step for mode   15=       -0.0000000013
 Unscaled step for mode   16=       -0.0000000087
 Unscaled step for mode   17=        0.0000000054
 Unscaled step for mode   18=       -0.0000000022
 Unscaled step for mode   19=        0.0000000457
 Unscaled step for mode   20=        0.0000000008
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000411
 Unscaled step for mode   23=       -0.0000000235
 Unscaled step for mode   24=        0.0000000290
 Unscaled step for mode   25=        0.0000000666
 Unscaled step for mode   26=        0.0000000956
 Unscaled step for mode   27=        0.0000000398
 Unscaled step for mode   28=       -0.0000000187
 Unscaled step for mode   29=        0.0000000965
 Unscaled step for mode   30=        0.0000000955
 Unscaled step for mode   31=        0.0000001051
 Unscaled step for mode   32=        0.0000000708
 Unscaled step for mode   33=       -0.0000000453
 Unscaled step for mode   34=        0.0000000713
 Unscaled step for mode   35=       -0.0000001104
 Unscaled step for mode   36=       -0.0000001341
 Unscaled step for mode   37=       -0.0000000529
 Unscaled step for mode   38=       -0.0000000291
 Unscaled step for mode   39=        0.0000000834
 Unscaled step for mode   40=        0.0000001744
 Unscaled step for mode   41=        0.0000002179
 Unscaled step for mode   42=        0.0000001471
 Unscaled step for mode   43=        0.0000000734
 Unscaled step for mode   44=        0.0000002661
 Unscaled step for mode   45=       -0.0000000788
 Unscaled step for mode   46=       -0.0000001978
 Unscaled step for mode   47=        0.0000001330
 Unscaled step for mode   48=        0.0000000119
 Unscaled step for mode   49=       -0.0000001833
 Unscaled step for mode   50=       -0.0000000414
 Unscaled step for mode   51=        0.0000000827
 Unscaled step for mode   52=       -0.0000000337
 Unscaled step for mode   53=       -0.0000000793
 Unscaled step for mode   54=        0.0000001566
 Unscaled step for mode   55=       -0.0000001722
 Unscaled step for mode   56=       -0.0000000971
 Unscaled step for mode   57=        0.0000000922
 Unscaled step for mode   58=        0.0000002020
 Unscaled step for mode   59=        0.0000000763
 Unscaled step for mode   60=        0.0000001504
 Unscaled step for mode   61=        0.0000001751
 Unscaled step for mode   62=        0.0000001707
 Unscaled step for mode   63=        0.0000000510
 Unscaled step for mode   64=        0.0000003181
 Unscaled step for mode   65=       -0.0000000718
 Unscaled step for mode   66=       -0.0000000002
 Unscaled step for mode   67=       -0.0000002657
 Unscaled step for mode   68=        0.0000000342
 Unscaled step for mode   69=        0.0000000698
 Unscaled step for mode   70=       -0.0000003777
 Unscaled step for mode   71=        0.0000000740
 Unscaled step for mode   72=        0.0000008010
 Unscaled step for mode   73=        0.0000001909
 Unscaled step for mode   74=        0.0000001446
 Unscaled step for mode   75=        0.0000007062
 Unscaled step for mode   76=        0.0000000269
 Unscaled step for mode   77=       -0.0000006475
 Unscaled step for mode   78=        0.0000001812
 Unscaled step for mode   79=        0.0000000676
 Unscaled step for mode   80=       -0.0000002173
 Unscaled step for mode   81=        0.0000004599
 Unscaled step for mode   82=       -0.0000003668
 Unscaled step for mode   83=        0.0000001352
 Unscaled step for mode   84=       -0.0000006511
 Unscaled step for mode   85=        0.0000000986
 Unscaled step for mode   86=        0.0000002506
 Unscaled step for mode   87=       -0.0000005962
 Unscaled step for mode   88=        0.0000004657
 Unscaled step for mode   89=       -0.0000005423
 Unscaled step for mode   90=       -0.0000007686
 Unscaled step for mode   91=       -0.0000006094
 Unscaled step for mode   92=        0.0000013038
 Unscaled step for mode   93=       -0.0000009976
 Unscaled step for mode   94=        0.0000009688
 Unscaled step for mode   95=        0.0000003083
 Unscaled step for mode   96=        0.0000002198
 Unscaled step for mode   97=        0.0000000946
 Unscaled step for mode   98=        0.0000012113
 Unscaled step for mode   99=        0.0000020953
 Unscaled step for mode  100=        0.0000015972
 Unscaled step for mode  101=       -0.0000018496
 Unscaled step for mode  102=        0.0000035310
 Unscaled step for mode  103=        0.0000021508
 Unscaled step for mode  104=       -0.0000055677
 Unscaled step for mode  105=       -0.0000018556
 Unscaled step for mode  106=       -0.0000004800
 Unscaled step for mode  107=       -0.0000088936
 Unscaled step for mode  108=       -0.0000088630
 Unscaled step for mode  109=       -0.0000067363
 Unscaled step for mode  110=       -0.0012178082
 Unscaled step for mode  111=        0.0000086396
 Unscaled step for mode  112=        0.0032710279
 Unscaled step for mode  113=        0.0102683393
 Unscaled step for mode  114=       -0.2526691803
 Largest modulus ratio of non-zero e/values=           224.4036203    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.889263E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.246976E-14    0.100669E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.201247E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.612574E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.100262E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.408500E-15    0.974189E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.979049E-05    0.744544E+03  0.131496E-07 0.100000E-04    0.994232E+00
   8   -0.107479E-04    0.674555E+03  0.159334E-07 0.100000E-04    0.978630E+00
   9   -0.951376E-05    0.629650E+03  0.151096E-07 0.100000E-04    0.934808E+00
  10    0.264882E-05    0.601502E+03 -0.440368E-08 0.100000E-04    0.963585E+00
  11   -0.219506E-05    0.586736E+03  0.374114E-08 0.100000E-04    0.958413E+00
  12   -0.169528E-04    0.578248E+03  0.293175E-07 0.100000E-04    0.953184E+00
  13   -0.347731E-05    0.566192E+03  0.614156E-08 0.100000E-04    0.998096E+00
  14    0.923203E-05    0.487211E+03 -0.189488E-07 0.100000E-04    0.960721E+00
  15    0.596399E-06    0.461223E+03 -0.129308E-08 0.100000E-04    0.644882E+00
  16    0.401069E-05    0.460144E+03 -0.871617E-08 0.100000E-04    0.917927E+00
  17   -0.237518E-05    0.441818E+03  0.537594E-08 0.100000E-04    0.605122E+00
  18    0.928500E-06    0.428869E+03 -0.216500E-08 0.100000E-04    0.734063E+00
  19   -0.193021E-04    0.422063E+03  0.457327E-07 0.100000E-04    0.989145E+00
  20   -0.321290E-06    0.408434E+03  0.786637E-09 0.100000E-04    0.401975E+04
  21   -0.467065E-06    0.396559E+03  0.117779E-08 0.100000E-04    0.374249E+01
  22   -0.159254E-04    0.387934E+03  0.410517E-07 0.100000E-04    0.984439E+00
  23    0.867213E-05    0.369703E+03 -0.234570E-07 0.100000E-04    0.919938E+00
  24   -0.104567E-04    0.360543E+03  0.290028E-07 0.100000E-04    0.978507E+00
  25   -0.232782E-04    0.349536E+03  0.665974E-07 0.100000E-04    0.989171E+00
  26   -0.320176E-04    0.335082E+03  0.955515E-07 0.100000E-04    0.984620E+00
  27   -0.130691E-04    0.328767E+03  0.397519E-07 0.100000E-04    0.960955E+00
  28    0.600390E-05    0.321904E+03 -0.186512E-07 0.100000E-04    0.919174E+00
  29   -0.307805E-04    0.318964E+03  0.965014E-07 0.100000E-04    0.981428E+00
  30   -0.295909E-04    0.309895E+03  0.954869E-07 0.100000E-04    0.974400E+00
  31   -0.316407E-04    0.301184E+03  0.105055E-06 0.100000E-04    0.981935E+00
  32   -0.205526E-04    0.290334E+03  0.707896E-07 0.100000E-04    0.962544E+00
  33    0.126088E-04    0.278467E+03 -0.452791E-07 0.100000E-04    0.974229E+00
  34   -0.194210E-04    0.272379E+03  0.713015E-07 0.100000E-04    0.986030E+00
  35    0.296241E-04    0.268234E+03 -0.110441E-06 0.100000E-04    0.987144E+00
  36    0.355236E-04    0.264806E+03 -0.134150E-06 0.100000E-04    0.980861E+00
  37    0.139340E-04    0.263157E+03 -0.529492E-07 0.100000E-04    0.954584E+00
  38    0.738467E-05    0.253406E+03 -0.291416E-07 0.100000E-04    0.998406E+00
  39   -0.201374E-04    0.241504E+03  0.833832E-07 0.100000E-04    0.990115E+00
  40   -0.419319E-04    0.240419E+03  0.174412E-06 0.100000E-04    0.989494E+00
  41   -0.509246E-04    0.233754E+03  0.217856E-06 0.100000E-04    0.999081E+00
  42   -0.334560E-04    0.227466E+03  0.147081E-06 0.100000E-04    0.969797E+00
  43   -0.159364E-04    0.217048E+03  0.734235E-07 0.100000E-04    0.987199E+00
  44   -0.571796E-04    0.214845E+03  0.266143E-06 0.100000E-04    0.983469E+00
  45    0.168162E-04    0.213285E+03 -0.788436E-07 0.100000E-04    0.972007E+00
  46    0.410253E-04    0.207447E+03 -0.197763E-06 0.100000E-04    0.993420E+00
  47   -0.270228E-04    0.203190E+03  0.132992E-06 0.100000E-04    0.990628E+00
  48   -0.232358E-05    0.195846E+03  0.118643E-07 0.100000E-04    0.282177E+00
  49    0.356973E-04    0.194742E+03 -0.183306E-06 0.100000E-04    0.992811E+00
  50    0.792276E-05    0.191295E+03 -0.414165E-07 0.100000E-04    0.794800E+00
  51   -0.151142E-04    0.182853E+03  0.826576E-07 0.100000E-04    0.976511E+00
  52    0.587521E-05    0.174094E+03 -0.337474E-07 0.100000E-04    0.919857E+00
  53    0.136686E-04    0.172309E+03 -0.793260E-07 0.100000E-04    0.989552E+00
  54   -0.263237E-04    0.168049E+03  0.156643E-06 0.100000E-04    0.995536E+00
  55    0.281615E-04    0.163507E+03 -0.172234E-06 0.100000E-04    0.990454E+00
  56    0.152610E-04    0.157107E+03 -0.971374E-07 0.100000E-04    0.946978E+00
  57   -0.142631E-04    0.154737E+03  0.921763E-07 0.100000E-04    0.966840E+00
  58   -0.307550E-04    0.152230E+03  0.202029E-06 0.100000E-04    0.991939E+00
  59   -0.112174E-04    0.147001E+03  0.763084E-07 0.100000E-04    0.978007E+00
  60   -0.215812E-04    0.143497E+03  0.150395E-06 0.100000E-04    0.979109E+00
  61   -0.241372E-04    0.137850E+03  0.175097E-06 0.100000E-04    0.946714E+00
  62   -0.231919E-04    0.135890E+03  0.170667E-06 0.100000E-04    0.987012E+00
  63   -0.665230E-05    0.130416E+03  0.510085E-07 0.100000E-04    0.611395E+00
  64   -0.409458E-04    0.128729E+03  0.318078E-06 0.100000E-04    0.984930E+00
  65    0.909947E-05    0.126790E+03 -0.717683E-07 0.100000E-04    0.865596E+00
  66    0.204019E-07    0.124533E+03 -0.163828E-09 0.109000E-04    0.324273E-01
  67    0.318691E-04    0.119963E+03 -0.265658E-06 0.100000E-04    0.963040E+00
  68   -0.404665E-05    0.118161E+03  0.342469E-07 0.100000E-04    0.911259E+00
  69   -0.816307E-05    0.117032E+03  0.697509E-07 0.100000E-04    0.975208E+00
  70    0.416776E-04    0.110337E+03 -0.377731E-06 0.100000E-04    0.983088E+00
  71   -0.791349E-05    0.106982E+03  0.739704E-07 0.100000E-04    0.961428E+00
  72   -0.836275E-04    0.104399E+03  0.801034E-06 0.100000E-04    0.992242E+00
  73   -0.196451E-04    0.102882E+03  0.190948E-06 0.100000E-04    0.967434E+00
  74   -0.144022E-04    0.996029E+02  0.144596E-06 0.100000E-04    0.977304E+00
  75   -0.678463E-04    0.960767E+02  0.706169E-06 0.100000E-04    0.982726E+00
  76   -0.253120E-05    0.941894E+02  0.268735E-07 0.100000E-04    0.636928E+00
  77    0.597820E-04    0.923328E+02 -0.647463E-06 0.100000E-04    0.995035E+00
  78   -0.165099E-04    0.910906E+02  0.181247E-06 0.100000E-04    0.967617E+00
  79   -0.599551E-05    0.886704E+02  0.676157E-07 0.100000E-04    0.960172E+00
  80    0.185725E-04    0.854795E+02 -0.217275E-06 0.100000E-04    0.993286E+00
  81   -0.371749E-04    0.808263E+02  0.459935E-06 0.100000E-04    0.987179E+00
  82    0.294436E-04    0.802655E+02 -0.366827E-06 0.100000E-04    0.976493E+00
  83   -0.105520E-04    0.780456E+02  0.135204E-06 0.100000E-04    0.983477E+00
  84    0.477362E-04    0.733211E+02 -0.651057E-06 0.100000E-04    0.968546E+00
  85   -0.716949E-05    0.727397E+02  0.985636E-07 0.100000E-04    0.624994E+00
  86   -0.170579E-04    0.680707E+02  0.250591E-06 0.100000E-04    0.952200E+00
  87    0.387442E-04    0.649864E+02 -0.596189E-06 0.100000E-04    0.965956E+00
  88   -0.287250E-04    0.616830E+02  0.465688E-06 0.100000E-04    0.976764E+00
  89    0.325050E-04    0.599397E+02 -0.542296E-06 0.100000E-04    0.945194E+00
  90    0.456519E-04    0.593953E+02 -0.768611E-06 0.100000E-04    0.989875E+00
  91    0.355450E-04    0.583237E+02 -0.609444E-06 0.100000E-04    0.923018E+00
  92   -0.729578E-04    0.559587E+02  0.130378E-05 0.100000E-04    0.977964E+00
  93    0.523859E-04    0.525136E+02 -0.997568E-06 0.100000E-04    0.962511E+00
  94   -0.505548E-04    0.521808E+02  0.968838E-06 0.100000E-04    0.992529E+00
  95   -0.154384E-04    0.500715E+02  0.308328E-06 0.100000E-04    0.877296E+00
  96   -0.102112E-04    0.464489E+02  0.219837E-06 0.100000E-04    0.906035E+00
  97   -0.408533E-05    0.431650E+02  0.946444E-07 0.100000E-04    0.537818E+00
  98   -0.494785E-04    0.408461E+02  0.121134E-05 0.100000E-04    0.974244E+00
  99   -0.794278E-04    0.379079E+02  0.209528E-05 0.100000E-04    0.960033E+00
 100   -0.581529E-04    0.364098E+02  0.159718E-05 0.100000E-04    0.966502E+00
 101    0.602445E-04    0.325709E+02 -0.184964E-05 0.100000E-04    0.847352E+00
 102   -0.101743E-03    0.288143E+02  0.353100E-05 0.100000E-04    0.981940E+00
 103   -0.612020E-04    0.284550E+02  0.215083E-05 0.100000E-04    0.985125E+00
 104    0.146545E-03    0.263207E+02 -0.556768E-05 0.100000E-04    0.991114E+00
 105    0.432235E-04    0.232932E+02 -0.185562E-05 0.100000E-04    0.903564E+00
 106    0.102068E-04    0.212633E+02 -0.480021E-06 0.100000E-04    0.678119E+00
 107    0.177773E-03    0.199890E+02 -0.889355E-05 0.100000E-04    0.907854E+00
 108    0.146770E-03    0.165599E+02 -0.886300E-05 0.100000E-04    0.879017E+00
 109    0.935189E-04    0.138827E+02 -0.673634E-05 0.100000E-04    0.968408E+00
 110    0.149044E-01    0.122387E+02 -0.100000E-04 0.100000E-04    0.573400E+00
 111   -0.871660E-04    0.100892E+02  0.863957E-05 0.100000E-04    0.970632E+00
 112   -0.282068E-01    0.862313E+01  0.408865E-04 0.408865E-04    0.388065E-01
 113   -0.598076E-01    0.582386E+01  0.218057E-03 0.218057E-03    0.194842E+00
 114   -0.895496E+00    0.331788E+01 -0.400000E-03 0.400000E-03    0.119437E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2526691803    

 Beginning of optimization cycle  494.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3055723146
 potential> RMS force:                                               0.0842255580   |gradient|=.8992828731    
 Eigenvalues of the Hessian matrix:
   744.63496    674.54663    629.68673    601.47120    586.72358    578.28672 
   566.15715    487.23001    461.19683    460.13025    441.81611    428.87818 
   422.06054    408.42307    396.55187    387.91946    369.71853    360.54011 
   349.52736    335.08965    328.79070    321.90511    318.95992    309.87945 
   301.16409    290.34577    278.47922    272.39409    268.24591    264.80960 
   263.18897    253.39664    241.50137    240.43616    233.75808    227.46329 
   217.04015    214.84876    213.28629    207.45425    203.18280    195.82967 
   194.74316    191.29604    182.85135    174.09919    172.30784    168.05573 
   163.49488    157.09487    154.74354    152.23374    146.98637    143.49423 
   137.85905    135.88889    130.41191    128.73314    126.79446    124.51761 
   119.96407    118.16136    117.02672    110.33578    106.97660    104.39915 
   102.87907     99.60046     96.08012     94.18845     92.31422     91.09519 
    88.66040     85.48389     80.82558     80.27308     78.04203     73.32294 
    72.73653     68.06606     64.97730     61.66717     59.93699     59.39569 
    58.31419     55.95552     52.51185     52.17616     50.07512     46.43821 
    43.17174     40.84907     37.90780     36.40512     32.55691     28.81616 
    28.45435     26.31650     23.29463     21.26683     19.98088     16.55614 
    13.88354     12.23866     10.08955      8.63298      5.81749      3.31177 
overlap for current and previous eigenvector    109 is         0.9999991660
overlap for current and previous eigenvector    110 is         0.9999997552
overlap for current and previous eigenvector    111 is         0.9999989367
overlap for current and previous eigenvector    112 is         0.9999973091
overlap for current and previous eigenvector    113 is         0.9999941864
overlap for current and previous eigenvector    114 is         0.9999962642
J1,K1,R1,R2,RAT=   7   7   -0.6340648973E-02     2.006097586        0.9936593510    
FOB,PFOB,DIAG,PSTEP=   -0.9852573501E-05   -0.9790487908E-05     744.6349633        0.1314963491E-07
J1,K1,R1,R2,RAT=   8   8   -0.2192966166E-01     2.021953767        0.9780703383    
FOB,PFOB,DIAG,PSTEP=   -0.1098364305E-04   -0.1074794705E-04     674.5466293        0.1593339444E-07
J1,K1,R1,R2,RAT=   9   9   -0.6644528702E-01     2.066328574        0.9335547130    
FOB,PFOB,DIAG,PSTEP=   -0.1014593919E-04   -0.9513757925E-05     629.6867295        0.1510959768E-07
J1,K1,R1,R2,RAT=  10  10    0.4053545894E-01     1.959565741        0.9594645411    
FOB,PFOB,DIAG,PSTEP=    0.2541457578E-05    0.2648823418E-05     601.4712024       -0.4403684472E-08
J1,K1,R1,R2,RAT=  11  11    0.4368550057E-01     1.956356456        0.9563144994    
FOB,PFOB,DIAG,PSTEP=   -0.2099172014E-05   -0.2195062402E-05     586.7235803        0.3741142215E-08
J1,K1,R1,R2,RAT= 109 109   -0.3243477158E-01     2.032321330        0.9675652284    
FOB,PFOB,DIAG,PSTEP=    0.9655229676E-04    0.9351886178E-04     13.88353714       -0.6736335678E-05
J1,K1,R1,R2,RAT= 110 110    0.5256009759         243.0376548        0.4743990241    
FOB,PFOB,DIAG,PSTEP=    0.1484010849E-01    0.1490443499E-01     12.23865640       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2768620061E-01     2.027610255        0.9723137994    
FOB,PFOB,DIAG,PSTEP=   -0.8957939633E-04   -0.8716600907E-04     10.08954627        0.8639567807E-05
J1,K1,R1,R2,RAT= 112 112   -0.9019798879         160.7265704        0.9802011207E-01
FOB,PFOB,DIAG,PSTEP=   -0.2852516517E-01   -0.2820679165E-01     8.632975262        0.4088646745E-04
J1,K1,R1,R2,RAT= 113 113   -0.8001091370         95.09358532        0.1998908630    
FOB,PFOB,DIAG,PSTEP=   -0.6082260981E-01   -0.5980763743E-01     5.817493993        0.2180565078E-03
J1,K1,R1,R2,RAT= 114 114    0.8688275980        -1352.857649        0.1311724020    
FOB,PFOB,DIAG,PSTEP=   -0.8966471856       -0.8954962414         3.311773837       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00002     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00001      0.00001      0.00001     -0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001     -0.00002 
    -0.00002     -0.00002     -0.00001     -0.00004      0.00001      0.00000 
     0.00003     -0.00000     -0.00001      0.00004      0.00001      0.00008 
     0.00002      0.00001     -0.00007     -0.00000     -0.00006     -0.00002 
     0.00001     -0.00002      0.00004     -0.00003     -0.00001      0.00005 
    -0.00001     -0.00002      0.00004     -0.00003      0.00003      0.00005 
     0.00003     -0.00007      0.00005     -0.00005     -0.00002     -0.00001 
    -0.00000     -0.00005     -0.00008     -0.00006      0.00007     -0.00010 
    -0.00006      0.00014      0.00004      0.00001      0.00019      0.00016 
     0.00010      0.01484     -0.00009     -0.02853     -0.06082     -0.89665 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3887526182
 Log product of positive Hessian eigenvalues =          519.1210699361
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3117738372
 Unscaled step for mode    7=        0.0000000132
 Unscaled step for mode    8=        0.0000000163
 Unscaled step for mode    9=        0.0000000161
 Unscaled step for mode   10=       -0.0000000042
 Unscaled step for mode   11=        0.0000000036
 Unscaled step for mode   12=        0.0000000307
 Unscaled step for mode   13=        0.0000000061
 Unscaled step for mode   14=       -0.0000000197
 Unscaled step for mode   15=       -0.0000000005
 Unscaled step for mode   16=       -0.0000000078
 Unscaled step for mode   17=        0.0000000070
 Unscaled step for mode   18=       -0.0000000013
 Unscaled step for mode   19=        0.0000000452
 Unscaled step for mode   20=        0.0000000016
 Unscaled step for mode   21=        0.0000000022
 Unscaled step for mode   22=        0.0000000417
 Unscaled step for mode   23=       -0.0000000253
 Unscaled step for mode   24=        0.0000000296
 Unscaled step for mode   25=        0.0000000658
 Unscaled step for mode   26=        0.0000000939
 Unscaled step for mode   27=        0.0000000380
 Unscaled step for mode   28=       -0.0000000168
 Unscaled step for mode   29=        0.0000000944
 Unscaled step for mode   30=        0.0000000982
 Unscaled step for mode   31=        0.0000001071
 Unscaled step for mode   32=        0.0000000736
 Unscaled step for mode   33=       -0.0000000439
 Unscaled step for mode   34=        0.0000000701
 Unscaled step for mode   35=       -0.0000001119
 Unscaled step for mode   36=       -0.0000001369
 Unscaled step for mode   37=       -0.0000000501
 Unscaled step for mode   38=       -0.0000000291
 Unscaled step for mode   39=        0.0000000825
 Unscaled step for mode   40=        0.0000001762
 Unscaled step for mode   41=        0.0000002180
 Unscaled step for mode   42=        0.0000001518
 Unscaled step for mode   43=        0.0000000724
 Unscaled step for mode   44=        0.0000002707
 Unscaled step for mode   45=       -0.0000000811
 Unscaled step for mode   46=       -0.0000001991
 Unscaled step for mode   47=        0.0000001344
 Unscaled step for mode   48=        0.0000000175
 Unscaled step for mode   49=       -0.0000001847
 Unscaled step for mode   50=       -0.0000000491
 Unscaled step for mode   51=        0.0000000805
 Unscaled step for mode   52=       -0.0000000304
 Unscaled step for mode   53=       -0.0000000784
 Unscaled step for mode   54=        0.0000001559
 Unscaled step for mode   55=       -0.0000001740
 Unscaled step for mode   56=       -0.0000001025
 Unscaled step for mode   57=        0.0000000888
 Unscaled step for mode   58=        0.0000002037
 Unscaled step for mode   59=        0.0000000780
 Unscaled step for mode   60=        0.0000001469
 Unscaled step for mode   61=        0.0000001643
 Unscaled step for mode   62=        0.0000001730
 Unscaled step for mode   63=        0.0000000668
 Unscaled step for mode   64=        0.0000003125
 Unscaled step for mode   65=       -0.0000000596
 Unscaled step for mode   66=       -0.0000000061
 Unscaled step for mode   67=       -0.0000002760
 Unscaled step for mode   68=        0.0000000306
 Unscaled step for mode   69=        0.0000000679
 Unscaled step for mode   70=       -0.0000003844
 Unscaled step for mode   71=       -0.0000000771
 Unscaled step for mode   72=       -0.0000007937
 Unscaled step for mode   73=       -0.0000001843
 Unscaled step for mode   74=       -0.0000001412
 Unscaled step for mode   75=        0.0000006928
 Unscaled step for mode   76=        0.0000000341
 Unscaled step for mode   77=        0.0000006513
 Unscaled step for mode   78=        0.0000001747
 Unscaled step for mode   79=       -0.0000000708
 Unscaled step for mode   80=        0.0000002190
 Unscaled step for mode   81=       -0.0000004663
 Unscaled step for mode   82=        0.0000003760
 Unscaled step for mode   83=        0.0000001332
 Unscaled step for mode   84=       -0.0000006281
 Unscaled step for mode   85=        0.0000001279
 Unscaled step for mode   86=        0.0000002370
 Unscaled step for mode   87=       -0.0000005721
 Unscaled step for mode   88=        0.0000004768
 Unscaled step for mode   89=       -0.0000005725
 Unscaled step for mode   90=       -0.0000007777
 Unscaled step for mode   91=       -0.0000005530
 Unscaled step for mode   92=        0.0000013355
 Unscaled step for mode   93=       -0.0000010372
 Unscaled step for mode   94=        0.0000009603
 Unscaled step for mode   95=        0.0000003457
 Unscaled step for mode   96=        0.0000001944
 Unscaled step for mode   97=        0.0000000066
 Unscaled step for mode   98=        0.0000011774
 Unscaled step for mode   99=        0.0000019991
 Unscaled step for mode  100=        0.0000015375
 Unscaled step for mode  101=       -0.0000021245
 Unscaled step for mode  102=        0.0000034583
 Unscaled step for mode  103=        0.0000021874
 Unscaled step for mode  104=       -0.0000055043
 Unscaled step for mode  105=       -0.0000016358
 Unscaled step for mode  106=       -0.0000002405
 Unscaled step for mode  107=       -0.0000097405
 Unscaled step for mode  108=       -0.0000099367
 Unscaled step for mode  109=       -0.0000069544
 Unscaled step for mode  110=       -0.0012125585
 Unscaled step for mode  111=        0.0000088784
 Unscaled step for mode  112=        0.0033041742
 Unscaled step for mode  113=        0.0104539795
 Unscaled step for mode  114=       -0.2533651052
 Largest modulus ratio of non-zero e/values=           224.8447508    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.705599E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.169726E-14    0.100669E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.600224E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.729668E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.150834E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.131324E-16    0.974193E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.985257E-05    0.744635E+03  0.132314E-07 0.100000E-04    0.993659E+00
   8   -0.109836E-04    0.674547E+03  0.162830E-07 0.100000E-04    0.978070E+00
   9   -0.101459E-04    0.629687E+03  0.161127E-07 0.100000E-04    0.933555E+00
  10    0.254146E-05    0.601471E+03 -0.422540E-08 0.100000E-04    0.959465E+00
  11   -0.209917E-05    0.586724E+03  0.357779E-08 0.100000E-04    0.956314E+00
  12   -0.177809E-04    0.578287E+03  0.307476E-07 0.100000E-04    0.951154E+00
  13   -0.347859E-05    0.566157E+03  0.614421E-08 0.100000E-04    0.999631E+00
  14    0.961878E-05    0.487230E+03 -0.197418E-07 0.100000E-04    0.958110E+00
  15    0.224735E-06    0.461197E+03 -0.487287E-09 0.100000E-04    0.376786E+00
  16    0.360593E-05    0.460130E+03 -0.783675E-08 0.100000E-04    0.899076E+00
  17   -0.311405E-05    0.441816E+03  0.704829E-08 0.100000E-04    0.688923E+00
  18    0.564906E-06    0.428878E+03 -0.131717E-08 0.100000E-04    0.608374E+00
  19   -0.190589E-04    0.422061E+03  0.451568E-07 0.100000E-04    0.987401E+00
  20   -0.658035E-06    0.408423E+03  0.161116E-08 0.109000E-04    0.481342E-01
  21   -0.876930E-06    0.396552E+03  0.221139E-08 0.109000E-04    0.122451E+00
  22   -0.161862E-04    0.387919E+03  0.417256E-07 0.100000E-04    0.983623E+00
  23    0.936824E-05    0.369719E+03 -0.253389E-07 0.100000E-04    0.919733E+00
  24   -0.106699E-04    0.360540E+03  0.295943E-07 0.100000E-04    0.979612E+00
  25   -0.229948E-04    0.349527E+03  0.657884E-07 0.100000E-04    0.987827E+00
  26   -0.314579E-04    0.335090E+03  0.938791E-07 0.100000E-04    0.982475E+00
  27   -0.124896E-04    0.328791E+03  0.379865E-07 0.100000E-04    0.955518E+00
  28    0.540975E-05    0.321905E+03 -0.168054E-07 0.100000E-04    0.901031E+00
  29   -0.301040E-04    0.318960E+03  0.943818E-07 0.100000E-04    0.978020E+00
  30   -0.304329E-04    0.309879E+03  0.982087E-07 0.100000E-04    0.971545E+00
  31   -0.322619E-04    0.301164E+03  0.107124E-06 0.100000E-04    0.980367E+00
  32   -0.213818E-04    0.290346E+03  0.736426E-07 0.100000E-04    0.959656E+00
  33    0.122151E-04    0.278479E+03 -0.438637E-07 0.100000E-04    0.968698E+00
  34   -0.190918E-04    0.272394E+03  0.700890E-07 0.100000E-04    0.982937E+00
  35    0.300296E-04    0.268246E+03 -0.111948E-06 0.100000E-04    0.986314E+00
  36    0.362636E-04    0.264810E+03 -0.136942E-06 0.100000E-04    0.979170E+00
  37    0.131974E-04    0.263189E+03 -0.501442E-07 0.100000E-04    0.946906E+00
  38    0.738199E-05    0.253397E+03 -0.291322E-07 0.100000E-04    0.999638E+00
  39   -0.199299E-04    0.241501E+03  0.825249E-07 0.100000E-04    0.989695E+00
  40   -0.423658E-04    0.240436E+03  0.176204E-06 0.100000E-04    0.989651E+00
  41   -0.509678E-04    0.233758E+03  0.218036E-06 0.100000E-04    0.999152E+00
  42   -0.345348E-04    0.227463E+03  0.151826E-06 0.100000E-04    0.967754E+00
  43   -0.157232E-04    0.217040E+03  0.724437E-07 0.100000E-04    0.986620E+00
  44   -0.581682E-04    0.214849E+03  0.270740E-06 0.100000E-04    0.982711E+00
  45    0.172893E-04    0.213286E+03 -0.810614E-07 0.100000E-04    0.971864E+00
  46    0.413119E-04    0.207454E+03 -0.199138E-06 0.100000E-04    0.993012E+00
  47   -0.273020E-04    0.203183E+03  0.134372E-06 0.100000E-04    0.989665E+00
  48   -0.342206E-05    0.195830E+03  0.174747E-07 0.100000E-04    0.527206E+00
  49    0.359684E-04    0.194743E+03 -0.184697E-06 0.100000E-04    0.992406E+00
  50    0.939218E-05    0.191296E+03 -0.490976E-07 0.100000E-04    0.814532E+00
  51   -0.147106E-04    0.182851E+03  0.804514E-07 0.100000E-04    0.973297E+00
  52    0.528964E-05    0.174099E+03 -0.303829E-07 0.100000E-04    0.900270E+00
  53    0.135116E-04    0.172308E+03 -0.784158E-07 0.100000E-04    0.988519E+00
  54   -0.261987E-04    0.168056E+03  0.155893E-06 0.100000E-04    0.995173E+00
  55    0.284413E-04    0.163495E+03 -0.173958E-06 0.100000E-04    0.990063E+00
  56    0.160998E-04    0.157095E+03 -0.102485E-06 0.100000E-04    0.945030E+00
  57   -0.137431E-04    0.154744E+03  0.888119E-07 0.100000E-04    0.963461E+00
  58   -0.310148E-04    0.152234E+03  0.203732E-06 0.100000E-04    0.991551E+00
  59   -0.114692E-04    0.146986E+03  0.780290E-07 0.100000E-04    0.977549E+00
  60   -0.210751E-04    0.143494E+03  0.146871E-06 0.100000E-04    0.976548E+00
  61   -0.226452E-04    0.137859E+03  0.164264E-06 0.100000E-04    0.938067E+00
  62   -0.235081E-04    0.135889E+03  0.172995E-06 0.100000E-04    0.986366E+00
  63   -0.871047E-05    0.130412E+03  0.667920E-07 0.100000E-04    0.690600E+00
  64   -0.402256E-04    0.128733E+03  0.312473E-06 0.100000E-04    0.982346E+00
  65    0.755463E-05    0.126794E+03 -0.595817E-07 0.100000E-04    0.830156E+00
  66    0.759871E-06    0.124518E+03 -0.610252E-08 0.100000E-04    0.352494E+02
  67    0.331067E-04    0.119964E+03 -0.275972E-06 0.100000E-04    0.961166E+00
  68   -0.361118E-05    0.118161E+03  0.305614E-07 0.100000E-04    0.892382E+00
  69   -0.794653E-05    0.117027E+03  0.679036E-07 0.100000E-04    0.973472E+00
  70    0.424159E-04    0.110336E+03 -0.384425E-06 0.100000E-04    0.982287E+00
  71    0.825126E-05    0.106977E+03 -0.771314E-07 0.100000E-04    0.957315E+00
  72    0.828626E-04    0.104399E+03 -0.793710E-06 0.100000E-04    0.990854E+00
  73    0.189613E-04    0.102879E+03 -0.184307E-06 0.100000E-04    0.965193E+00
  74    0.140679E-04    0.996005E+02 -0.141243E-06 0.100000E-04    0.976786E+00
  75   -0.665597E-04    0.960801E+02  0.692752E-06 0.100000E-04    0.980966E+00
  76   -0.321342E-05    0.941885E+02  0.341169E-07 0.100000E-04    0.730475E+00
  77   -0.601234E-04    0.923142E+02  0.651291E-06 0.100000E-04    0.994288E+00
  78   -0.159108E-04    0.910952E+02  0.174662E-06 0.100000E-04    0.963619E+00
  79    0.627282E-05    0.886604E+02 -0.707511E-07 0.100000E-04    0.953742E+00
  80   -0.187218E-04    0.854839E+02  0.219010E-06 0.100000E-04    0.991962E+00
  81    0.376881E-04    0.808256E+02 -0.466289E-06 0.100000E-04    0.986194E+00
  82   -0.301799E-04    0.802731E+02  0.375965E-06 0.100000E-04    0.974996E+00
  83   -0.103918E-04    0.780420E+02  0.133156E-06 0.100000E-04    0.984810E+00
  84    0.460578E-04    0.733229E+02 -0.628150E-06 0.100000E-04    0.964789E+00
  85   -0.930468E-05    0.727365E+02  0.127923E-06 0.100000E-04    0.702171E+00
  86   -0.161323E-04    0.680661E+02  0.237009E-06 0.100000E-04    0.945733E+00
  87    0.371717E-04    0.649773E+02 -0.572071E-06 0.100000E-04    0.959407E+00
  88   -0.294036E-04    0.616672E+02  0.476812E-06 0.100000E-04    0.976369E+00
  89    0.343148E-04    0.599370E+02 -0.572515E-06 0.100000E-04    0.944322E+00
  90    0.461949E-04    0.593957E+02 -0.777749E-06 0.100000E-04    0.988105E+00
  91    0.322494E-04    0.583142E+02 -0.553028E-06 0.100000E-04    0.907268E+00
  92   -0.747275E-04    0.559555E+02  0.133548E-05 0.100000E-04    0.975741E+00
  93    0.544630E-04    0.525119E+02 -0.103716E-05 0.100000E-04    0.960349E+00
  94   -0.501071E-04    0.521762E+02  0.960344E-06 0.100000E-04    0.991143E+00
  95   -0.173087E-04    0.500751E+02  0.345654E-06 0.100000E-04    0.878868E+00
  96   -0.902774E-05    0.464382E+02  0.194403E-06 0.100000E-04    0.884074E+00
  97   -0.283609E-06    0.431717E+02  0.656932E-08 0.109000E-04    0.692545E-01
  98   -0.480939E-04    0.408491E+02  0.117736E-05 0.100000E-04    0.971870E+00
  99   -0.757818E-04    0.379078E+02  0.199911E-05 0.100000E-04    0.954097E+00
 100   -0.559727E-04    0.364051E+02  0.153750E-05 0.100000E-04    0.962504E+00
 101    0.691665E-04    0.325569E+02 -0.212448E-05 0.100000E-04    0.851841E+00
 102   -0.996555E-04    0.288162E+02  0.345832E-05 0.100000E-04    0.979352E+00
 103   -0.622401E-04    0.284543E+02  0.218737E-05 0.100000E-04    0.983038E+00
 104    0.144855E-03    0.263165E+02 -0.550433E-05 0.100000E-04    0.988461E+00
 105    0.381065E-04    0.232946E+02 -0.163585E-05 0.100000E-04    0.881502E+00
 106    0.511487E-05    0.212668E+02 -0.240509E-06 0.100000E-04    0.500873E+00
 107    0.194623E-03    0.199809E+02 -0.974045E-05 0.100000E-04    0.905178E+00
 108    0.164513E-03    0.165561E+02 -0.993670E-05 0.100000E-04    0.879083E+00
 109    0.965523E-04    0.138835E+02 -0.695445E-05 0.100000E-04    0.967565E+00
 110    0.148401E-01    0.122387E+02 -0.100000E-04 0.100000E-04    0.474399E+00
 111   -0.895794E-04    0.100895E+02  0.887844E-05 0.100000E-04    0.972314E+00
 112   -0.285252E-01    0.863298E+01  0.445662E-04 0.445662E-04    0.980201E-01
 113   -0.608226E-01    0.581749E+01  0.237682E-03 0.237682E-03    0.199891E+00
 114   -0.896647E+00    0.331177E+01 -0.400000E-03 0.400000E-03    0.131172E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2533651052    

 Beginning of optimization cycle  495.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3052290976
 potential> RMS force:                                               0.0843390868   |gradient|=.9004950294    
 Eigenvalues of the Hessian matrix:
   744.72768    674.53699    629.72558    601.43969    586.71065    578.32570 
   566.11908    487.24859    461.17051    460.11632    441.81378    428.88839 
   422.05777    408.41061    396.54439    387.90380    369.73404    360.53739 
   349.51846    335.09775    328.81470    321.90624    318.95647    309.86350 
   301.14457    290.35768    278.49244    272.40992    268.25787    264.81365 
   263.22098    253.38709    241.49866    240.45385    233.76302    227.46100 
   217.03326    214.85238    213.28726    207.46227    203.17486    195.81307 
   194.74455    191.29756    182.85014    174.10558    172.30694    168.06271 
   163.48233    157.08249    154.75004    152.23695    146.97175    143.49082 
   137.86807    135.88781    130.40797    128.73743    126.79944    124.50179 
   119.96529    118.16179    117.02129    110.33512    106.97109    104.39911 
   102.87644     99.59795     96.08330     94.18718     92.29563     91.10001 
    88.65006     85.48856     80.82495     80.28122     78.03832     73.32449 
    72.73273     68.06108     64.96788     61.65108     59.93414     59.39607 
    58.30464     55.95212     52.50999     52.17111     50.07922     46.42719 
    43.17887     40.85208     37.90752     36.39986     32.54282     28.81821 
    28.45372     26.31260     23.29600     21.27033     19.97288     16.55228 
    13.88435     12.23859     10.08987      8.64399      5.81142      3.30560 
overlap for current and previous eigenvector    109 is        -0.9999990320
overlap for current and previous eigenvector    110 is        -0.9999997417
overlap for current and previous eigenvector    111 is         0.9999987704
overlap for current and previous eigenvector    112 is         0.9999966625
overlap for current and previous eigenvector    113 is        -0.9999930565
overlap for current and previous eigenvector    114 is        -0.9999956293
J1,K1,R1,R2,RAT=   7   7   -0.7091674656E-02     2.006842678        0.9929083253    
FOB,PFOB,DIAG,PSTEP=   -0.9922453447E-05   -0.9852573501E-05     744.7276805        0.1323141403E-07
J1,K1,R1,R2,RAT=   8   8   -0.2245074652E-01     2.022479316        0.9775492535    
FOB,PFOB,DIAG,PSTEP=   -0.1123023052E-04   -0.1098364305E-04     674.5369938        0.1628300043E-07
J1,K1,R1,R2,RAT=   9   9   -0.6753346178E-01     2.067410060        0.9324665382    
FOB,PFOB,DIAG,PSTEP=   -0.1083117187E-04   -0.1014593919E-04     629.7255842        0.1611267749E-07
J1,K1,R1,R2,RAT=  10  10    0.4730157486E-01     1.952803213        0.9526984251    
FOB,PFOB,DIAG,PSTEP=    0.2421248930E-05    0.2541457578E-05     601.4396907       -0.4225401927E-08
J1,K1,R1,R2,RAT=  11  11    0.4968289134E-01     1.950361194        0.9503171087    
FOB,PFOB,DIAG,PSTEP=   -0.1994881378E-05   -0.2099172014E-05     586.7106475        0.3577787027E-08
J1,K1,R1,R2,RAT= 109 109     2.033217070       -0.3333424418E-01    0.9666657558    
FOB,PFOB,DIAG,PSTEP=   -0.9977098317E-04    0.9655229676E-04     13.88435058       -0.6954445095E-05
J1,K1,R1,R2,RAT= 110 110     241.8792680        0.6341261704        0.3658738296    
FOB,PFOB,DIAG,PSTEP=   -0.1476250040E-01    0.1484010849E-01     12.23858875       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111   -0.2819119073E-01     2.028127743        0.9718088093    
FOB,PFOB,DIAG,PSTEP=   -0.9210482629E-04   -0.8957939633E-04     10.08986636        0.8878436544E-05
J1,K1,R1,R2,RAT= 112 112   -0.8461684017         148.9402578        0.1538315983    
FOB,PFOB,DIAG,PSTEP=   -0.2885113488E-01   -0.2852516517E-01     8.643991882        0.4456624952E-04
J1,K1,R1,R2,RAT= 113 113     88.86332674       -0.7955308971        0.2044691029    
FOB,PFOB,DIAG,PSTEP=    0.6192145110E-01   -0.6082260981E-01     5.811421415        0.2376815935E-03
J1,K1,R1,R2,RAT= 114 114    -1357.109299        0.8557112878        0.1442887122    
FOB,PFOB,DIAG,PSTEP=    0.8977786423       -0.8966471856         3.305603001       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00000      0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00004 
    -0.00002     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00001      0.00000      0.00001     -0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001      0.00002 
     0.00002      0.00002      0.00001      0.00004     -0.00001     -0.00000 
    -0.00003      0.00000      0.00001      0.00004     -0.00001     -0.00008 
    -0.00002     -0.00001     -0.00007     -0.00000      0.00006      0.00002 
    -0.00001      0.00002     -0.00004     -0.00003      0.00001      0.00004 
    -0.00001     -0.00002     -0.00004     -0.00003      0.00004     -0.00005 
     0.00003     -0.00008      0.00006     -0.00005     -0.00002      0.00001 
    -0.00000      0.00005     -0.00007     -0.00005     -0.00008     -0.00010 
     0.00006     -0.00014     -0.00003      0.00000     -0.00021     -0.00018 
    -0.00010     -0.01476     -0.00009     -0.02885      0.06192      0.89778 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3884847789
 Log product of positive Hessian eigenvalues =          519.1173761460
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.3056030008
 Unscaled step for mode    7=        0.0000000133
 Unscaled step for mode    8=        0.0000000166
 Unscaled step for mode    9=        0.0000000172
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000323
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000206
 Unscaled step for mode   15=        0.0000000004
 Unscaled step for mode   16=       -0.0000000069
 Unscaled step for mode   17=        0.0000000089
 Unscaled step for mode   18=       -0.0000000004
 Unscaled step for mode   19=        0.0000000445
 Unscaled step for mode   20=        0.0000000025
 Unscaled step for mode   21=        0.0000000033
 Unscaled step for mode   22=        0.0000000424
 Unscaled step for mode   23=       -0.0000000274
 Unscaled step for mode   24=        0.0000000302
 Unscaled step for mode   25=        0.0000000649
 Unscaled step for mode   26=        0.0000000920
 Unscaled step for mode   27=        0.0000000360
 Unscaled step for mode   28=       -0.0000000147
 Unscaled step for mode   29=        0.0000000920
 Unscaled step for mode   30=        0.0000001012
 Unscaled step for mode   31=        0.0000001094
 Unscaled step for mode   32=        0.0000000768
 Unscaled step for mode   33=       -0.0000000423
 Unscaled step for mode   34=        0.0000000687
 Unscaled step for mode   35=       -0.0000001135
 Unscaled step for mode   36=       -0.0000001399
 Unscaled step for mode   37=       -0.0000000470
 Unscaled step for mode   38=       -0.0000000291
 Unscaled step for mode   39=        0.0000000817
 Unscaled step for mode   40=        0.0000001780
 Unscaled step for mode   41=        0.0000002182
 Unscaled step for mode   42=        0.0000001570
 Unscaled step for mode   43=        0.0000000714
 Unscaled step for mode   44=        0.0000002756
 Unscaled step for mode   45=       -0.0000000834
 Unscaled step for mode   46=       -0.0000002006
 Unscaled step for mode   47=        0.0000001359
 Unscaled step for mode   48=        0.0000000237
 Unscaled step for mode   49=       -0.0000001862
 Unscaled step for mode   50=       -0.0000000574
 Unscaled step for mode   51=        0.0000000780
 Unscaled step for mode   52=       -0.0000000266
 Unscaled step for mode   53=       -0.0000000775
 Unscaled step for mode   54=        0.0000001550
 Unscaled step for mode   55=       -0.0000001758
 Unscaled step for mode   56=       -0.0000001083
 Unscaled step for mode   57=        0.0000000851
 Unscaled step for mode   58=        0.0000002056
 Unscaled step for mode   59=        0.0000000798
 Unscaled step for mode   60=       -0.0000001430
 Unscaled step for mode   61=       -0.0000001524
 Unscaled step for mode   62=       -0.0000001756
 Unscaled step for mode   63=       -0.0000000841
 Unscaled step for mode   64=       -0.0000003061
 Unscaled step for mode   65=        0.0000000464
 Unscaled step for mode   66=        0.0000000127
 Unscaled step for mode   67=        0.0000002871
 Unscaled step for mode   68=       -0.0000000265
 Unscaled step for mode   69=       -0.0000000659
 Unscaled step for mode   70=       -0.0000003916
 Unscaled step for mode   71=        0.0000000807
 Unscaled step for mode   72=        0.0000007852
 Unscaled step for mode   73=        0.0000001772
 Unscaled step for mode   74=        0.0000001378
 Unscaled step for mode   75=        0.0000006780
 Unscaled step for mode   76=        0.0000000415
 Unscaled step for mode   77=       -0.0000006552
 Unscaled step for mode   78=       -0.0000001675
 Unscaled step for mode   79=        0.0000000744
 Unscaled step for mode   80=       -0.0000002213
 Unscaled step for mode   81=        0.0000004730
 Unscaled step for mode   82=        0.0000003858
 Unscaled step for mode   83=       -0.0000001314
 Unscaled step for mode   84=       -0.0000006030
 Unscaled step for mode   85=        0.0000001599
 Unscaled step for mode   86=        0.0000002221
 Unscaled step for mode   87=        0.0000005452
 Unscaled step for mode   88=        0.0000004879
 Unscaled step for mode   89=       -0.0000006048
 Unscaled step for mode   90=        0.0000007882
 Unscaled step for mode   91=       -0.0000004913
 Unscaled step for mode   92=        0.0000013710
 Unscaled step for mode   93=       -0.0000010799
 Unscaled step for mode   94=        0.0000009509
 Unscaled step for mode   95=        0.0000003864
 Unscaled step for mode   96=       -0.0000001660
 Unscaled step for mode   97=        0.0000000889
 Unscaled step for mode   98=       -0.0000011398
 Unscaled step for mode   99=        0.0000018937
 Unscaled step for mode  100=        0.0000014718
 Unscaled step for mode  101=        0.0000024271
 Unscaled step for mode  102=        0.0000033770
 Unscaled step for mode  103=       -0.0000022264
 Unscaled step for mode  104=        0.0000054262
 Unscaled step for mode  105=        0.0000013918
 Unscaled step for mode  106=       -0.0000000160
 Unscaled step for mode  107=        0.0000106791
 Unscaled step for mode  108=        0.0000111214
 Unscaled step for mode  109=        0.0000071859
 Unscaled step for mode  110=        0.0012062240
 Unscaled step for mode  111=        0.0000091284
 Unscaled step for mode  112=        0.0033376724
 Unscaled step for mode  113=       -0.0106539207
 Unscaled step for mode  114=        0.2540623099
 Largest modulus ratio of non-zero e/values=           225.2925352    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.325803E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.242243E-14    0.100668E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.553445E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.616261E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.344452E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.678236E-15    0.974196E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.992245E-05    0.744728E+03  0.133236E-07 0.100000E-04    0.992908E+00
   8   -0.112302E-04    0.674537E+03  0.166488E-07 0.100000E-04    0.977549E+00
   9   -0.108312E-04    0.629726E+03  0.171998E-07 0.100000E-04    0.932467E+00
  10    0.242125E-05    0.601440E+03 -0.402576E-08 0.100000E-04    0.952698E+00
  11   -0.199488E-05    0.586711E+03  0.340011E-08 0.100000E-04    0.950317E+00
  12   -0.186767E-04    0.578326E+03  0.322944E-07 0.100000E-04    0.949624E+00
  13   -0.348668E-05    0.566119E+03  0.615891E-08 0.100000E-04    0.997675E+00
  14    0.100384E-04    0.487249E+03 -0.206021E-07 0.100000E-04    0.956382E+00
  15   -0.191305E-06    0.461171E+03  0.414825E-09 0.100000E-04    0.851237E+00
  16    0.315313E-05    0.460116E+03 -0.685290E-08 0.100000E-04    0.874427E+00
  17   -0.394308E-05    0.441814E+03  0.892475E-08 0.100000E-04    0.733775E+00
  18    0.175691E-06    0.428888E+03 -0.409644E-09 0.100000E-04    0.310979E+00
  19   -0.187897E-04    0.422058E+03  0.445194E-07 0.100000E-04    0.985878E+00
  20   -0.101345E-05    0.408411E+03  0.248145E-08 0.100000E-04    0.459869E+00
  21   -0.131712E-05    0.396544E+03  0.332150E-08 0.100000E-04    0.498021E+00
  22   -0.164596E-04    0.387904E+03  0.424322E-07 0.100000E-04    0.983104E+00
  23    0.101228E-04    0.369734E+03 -0.273785E-07 0.100000E-04    0.919462E+00
  24   -0.108908E-04    0.360537E+03  0.302072E-07 0.100000E-04    0.979296E+00
  25   -0.226837E-04    0.349518E+03  0.649000E-07 0.100000E-04    0.986470E+00
  26   -0.308391E-04    0.335098E+03  0.920301E-07 0.100000E-04    0.980280E+00
  27   -0.118450E-04    0.328815E+03  0.360235E-07 0.100000E-04    0.948250E+00
  28    0.474392E-05    0.321906E+03 -0.147369E-07 0.100000E-04    0.876913E+00
  29   -0.293361E-04    0.318956E+03  0.919752E-07 0.100000E-04    0.974491E+00
  30   -0.313595E-04    0.309864E+03  0.101204E-06 0.100000E-04    0.969548E+00
  31   -0.329462E-04    0.301145E+03  0.109403E-06 0.100000E-04    0.978786E+00
  32   -0.222896E-04    0.290358E+03  0.767659E-07 0.100000E-04    0.957547E+00
  33    0.117690E-04    0.278492E+03 -0.422597E-07 0.100000E-04    0.963383E+00
  34   -0.187075E-04    0.272410E+03  0.686740E-07 0.100000E-04    0.979752E+00
  35    0.304576E-04    0.268258E+03 -0.113539E-06 0.100000E-04    0.985746E+00
  36    0.370416E-04    0.264814E+03 -0.139878E-06 0.100000E-04    0.978546E+00
  37    0.123840E-04    0.263221E+03 -0.470480E-07 0.100000E-04    0.938131E+00
  38    0.736986E-05    0.253387E+03 -0.290854E-07 0.100000E-04    0.998357E+00
  39   -0.197185E-04    0.241499E+03  0.816507E-07 0.100000E-04    0.989395E+00
  40   -0.427947E-04    0.240454E+03  0.177975E-06 0.100000E-04    0.989879E+00
  41   -0.509986E-04    0.233763E+03  0.218164E-06 0.100000E-04    0.999395E+00
  42   -0.357047E-04    0.227461E+03  0.156971E-06 0.100000E-04    0.966124E+00
  43   -0.154926E-04    0.217033E+03  0.713837E-07 0.100000E-04    0.985336E+00
  44   -0.592129E-04    0.214852E+03  0.275598E-06 0.100000E-04    0.982039E+00
  45    0.177983E-04    0.213287E+03 -0.834475E-07 0.100000E-04    0.970560E+00
  46    0.416077E-04    0.207462E+03 -0.200556E-06 0.100000E-04    0.992841E+00
  47   -0.276074E-04    0.203175E+03  0.135880E-06 0.100000E-04    0.988816E+00
  48   -0.464086E-05    0.195813E+03  0.237005E-07 0.100000E-04    0.643808E+00
  49    0.362561E-04    0.194745E+03 -0.186173E-06 0.100000E-04    0.992001E+00
  50    0.109827E-04    0.191298E+03 -0.574115E-07 0.100000E-04    0.830659E+00
  51   -0.142679E-04    0.182850E+03  0.780306E-07 0.100000E-04    0.969904E+00
  52    0.463261E-05    0.174106E+03 -0.266080E-07 0.100000E-04    0.875721E+00
  53    0.133573E-04    0.172307E+03 -0.775201E-07 0.100000E-04    0.988573E+00
  54   -0.260507E-04    0.168063E+03  0.155006E-06 0.100000E-04    0.994266E+00
  55    0.287321E-04    0.163482E+03 -0.175750E-06 0.100000E-04    0.989776E+00
  56    0.170094E-04    0.157082E+03 -0.108283E-06 0.100000E-04    0.943500E+00
  57   -0.131698E-04    0.154750E+03  0.851037E-07 0.100000E-04    0.958204E+00
  58   -0.312929E-04    0.152237E+03  0.205554E-06 0.100000E-04    0.991033E+00
  59   -0.117272E-04    0.146972E+03  0.797925E-07 0.100000E-04    0.977498E+00
  60    0.205156E-04    0.143491E+03 -0.142975E-06 0.100000E-04    0.973451E+00
  61    0.210172E-04    0.137868E+03 -0.152444E-06 0.100000E-04    0.927982E+00
  62    0.238621E-04    0.135888E+03 -0.175602E-06 0.100000E-04    0.984940E+00
  63    0.109722E-04    0.130408E+03 -0.841371E-07 0.100000E-04    0.740341E+00
  64    0.394003E-04    0.128737E+03 -0.306052E-06 0.100000E-04    0.979418E+00
  65   -0.587955E-05    0.126799E+03  0.463689E-07 0.100000E-04    0.778201E+00
  66   -0.157979E-05    0.124502E+03  0.126889E-07 0.109000E-04    0.791612E-01
  67   -0.344413E-04    0.119965E+03  0.287094E-06 0.100000E-04    0.959688E+00
  68    0.313522E-05    0.118162E+03 -0.265333E-07 0.100000E-04    0.868191E+00
  69    0.771339E-05    0.117021E+03 -0.659144E-07 0.100000E-04    0.970659E+00
  70    0.432121E-04    0.110335E+03 -0.391644E-06 0.100000E-04    0.981228E+00
  71   -0.863727E-05    0.106971E+03  0.807440E-07 0.100000E-04    0.953215E+00
  72   -0.819776E-04    0.104399E+03  0.785233E-06 0.100000E-04    0.989320E+00
  73   -0.182290E-04    0.102876E+03  0.177193E-06 0.100000E-04    0.961375E+00
  74   -0.137213E-04    0.995979E+02  0.137767E-06 0.100000E-04    0.975364E+00
  75   -0.651423E-04    0.960833E+02  0.677977E-06 0.100000E-04    0.978638E+00
  76   -0.390566E-05    0.941872E+02  0.414670E-07 0.100000E-04    0.784573E+00
  77    0.604711E-04    0.922956E+02 -0.655189E-06 0.100000E-04    0.994216E+00
  78    0.152564E-04    0.911000E+02 -0.167469E-06 0.100000E-04    0.958764E+00
  79   -0.659892E-05    0.886501E+02  0.744379E-07 0.100000E-04    0.948007E+00
  80    0.189154E-04    0.854886E+02 -0.221262E-06 0.100000E-04    0.989662E+00
  81   -0.382310E-04    0.808250E+02  0.473010E-06 0.100000E-04    0.985594E+00
  82   -0.309719E-04    0.802812E+02  0.385793E-06 0.100000E-04    0.973758E+00
  83    0.102514E-04    0.780383E+02 -0.131364E-06 0.100000E-04    0.986493E+00
  84    0.442163E-04    0.733245E+02 -0.603022E-06 0.100000E-04    0.959977E+00
  85   -0.116307E-04    0.727327E+02  0.159910E-06 0.100000E-04    0.750001E+00
  86   -0.151185E-04    0.680611E+02  0.222131E-06 0.100000E-04    0.937153E+00
  87   -0.354231E-04    0.649679E+02  0.545241E-06 0.100000E-04    0.952954E+00
  88   -0.300772E-04    0.616511E+02  0.487862E-06 0.100000E-04    0.977087E+00
  89    0.362471E-04    0.599341E+02 -0.604782E-06 0.100000E-04    0.943687E+00
  90   -0.468185E-04    0.593961E+02  0.788242E-06 0.100000E-04    0.986502E+00
  91    0.286445E-04    0.583046E+02 -0.491290E-06 0.100000E-04    0.888200E+00
  92   -0.767121E-04    0.559521E+02  0.137103E-05 0.100000E-04    0.973441E+00
  93    0.567038E-04    0.525100E+02 -0.107987E-05 0.100000E-04    0.958855E+00
  94   -0.496109E-04    0.521711E+02  0.950927E-06 0.100000E-04    0.990098E+00
  95   -0.193492E-04    0.500792E+02  0.386372E-06 0.100000E-04    0.882118E+00
  96    0.770641E-05    0.464272E+02 -0.165989E-06 0.100000E-04    0.853601E+00
  97   -0.384005E-05    0.431789E+02  0.889336E-07 0.100000E-04    0.115379E+02
  98    0.465652E-04    0.408521E+02 -0.113985E-05 0.100000E-04    0.968068E+00
  99   -0.717863E-04    0.379075E+02  0.189372E-05 0.100000E-04    0.947276E+00
 100   -0.535751E-04    0.363999E+02  0.147185E-05 0.100000E-04    0.957158E+00
 101   -0.789854E-04    0.325428E+02  0.242712E-05 0.100000E-04    0.857978E+00
 102   -0.973182E-04    0.288182E+02  0.337697E-05 0.100000E-04    0.976406E+00
 103    0.633489E-04    0.284537E+02 -0.222638E-05 0.100000E-04    0.982186E+00
 104   -0.142778E-03    0.263126E+02  0.542621E-05 0.100000E-04    0.985660E+00
 105   -0.324233E-04    0.232960E+02  0.139180E-05 0.100000E-04    0.850750E+00
 106    0.341061E-06    0.212703E+02 -0.160346E-07 0.109000E-04    0.665047E-01
 107   -0.213292E-03    0.199729E+02  0.100000E-04 0.100000E-04    0.904038E+00
 108   -0.184084E-03    0.165523E+02  0.100000E-04 0.100000E-04    0.881013E+00
 109   -0.997710E-04    0.138844E+02  0.718586E-05 0.100000E-04    0.966666E+00
 110   -0.147625E-01    0.122386E+02  0.100000E-04 0.100000E-04    0.365874E+00
 111   -0.921048E-04    0.100899E+02  0.912845E-05 0.100000E-04    0.971809E+00
 112   -0.288511E-01    0.864399E+01  0.485772E-04 0.485772E-04    0.153832E+00
 113    0.619215E-01    0.581142E+01 -0.214128E-03 0.214128E-03    0.204469E+00
 114    0.897779E+00    0.330560E+01  0.400000E-03 0.400000E-03    0.144289E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2540623099    

 Beginning of optimization cycle  496.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3048843904
 potential> RMS force:                                               0.0844529968   |gradient|=.9017112557    
 Eigenvalues of the Hessian matrix:
   744.81870    674.52940    629.76293    601.40785    586.69881    578.36326 
   566.08349    487.26821    461.14479    460.10261    441.81213    428.89679 
   422.05494    408.39901    396.53723    387.88835    369.74949    360.53434 
   349.50897    335.10526    328.83801    321.90797    318.95152    309.84794 
   301.12463    290.36947    278.50453    272.42531    268.26918    264.81758 
   263.25133    253.37724    241.49540    240.47074    233.76720    227.45784 
   217.02605    214.85577    213.28813    207.46995    203.16725    195.79677 
   194.74528    191.29892    182.84824    174.11157    172.30591    168.06926 
   163.47013    157.07027    154.75618    152.24027    146.95769    143.48786 
   137.87667    135.88669    130.40456    128.74144    126.80450    124.48686 
   119.96654    118.16231    117.01632    110.33437    106.96593    104.39926 
   102.87392     99.59561     96.08681     94.18613     92.27714     91.10449 
    88.64005     85.49289     80.82432     80.28876     78.03481     73.32649 
    72.72963     68.05670     64.95901     61.63525     59.93122     59.39668 
    58.29552     55.94912     52.50834     52.16653     50.08306     46.41660 
    43.18563     40.85520     37.90758     36.39558     32.52897     28.82021 
    28.45306     26.30860     23.29724     21.27412     19.96475     16.54850 
    13.88517     12.23857     10.09018      8.65419      5.80519      3.29946 
overlap for current and previous eigenvector    109 is        -0.9999991551
overlap for current and previous eigenvector    110 is        -0.9999997784
overlap for current and previous eigenvector    111 is         0.9999989207
overlap for current and previous eigenvector    112 is         0.9999971824
overlap for current and previous eigenvector    113 is        -0.9999939962
overlap for current and previous eigenvector    114 is        -0.9999962028
J1,K1,R1,R2,RAT=   7   7    0.2286581637E-02     1.997469004        0.9974690040    
FOB,PFOB,DIAG,PSTEP=   -0.9899762174E-05   -0.9922453447E-05     744.8187027        0.1332359963E-07
J1,K1,R1,R2,RAT=   8   8    0.1952916815E-01     1.980493357        0.9804708319    
FOB,PFOB,DIAG,PSTEP=   -0.1101091593E-04   -0.1123023052E-04     674.5293969        0.1664879854E-07
J1,K1,R1,R2,RAT=   9   9    0.4478315166E-01     1.955098235        0.9550982350    
FOB,PFOB,DIAG,PSTEP=   -0.1034608909E-04   -0.1083117187E-04     629.7629334        0.1719982821E-07
J1,K1,R1,R2,RAT=  10  10   -0.1279084014         2.128014304        0.8720915986    
FOB,PFOB,DIAG,PSTEP=    0.2730930612E-05    0.2421248930E-05     601.4078453       -0.4025755146E-08
J1,K1,R1,R2,RAT=  11  11   -0.9550404332E-01     2.095544386        0.9044959567    
FOB,PFOB,DIAG,PSTEP=   -0.2185396772E-05   -0.1994881378E-05     586.6988129        0.3400111088E-08
J1,K1,R1,R2,RAT= 109 109     1.975442394        0.2443989228E-01    0.9754423936    
FOB,PFOB,DIAG,PSTEP=    0.9733244756E-04   -0.9977098317E-04     13.88516782        0.7185858825E-05
J1,K1,R1,R2,RAT= 110 110     240.7467477        0.4988473567        0.5011526433    
FOB,PFOB,DIAG,PSTEP=    0.1470144864E-01   -0.1476250040E-01     12.23856576        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1337880474E-01     1.986559129        0.9865591290    
FOB,PFOB,DIAG,PSTEP=   -0.9087253557E-04   -0.9210482629E-04     10.09017949        0.9128448583E-05
J1,K1,R1,R2,RAT= 112 112   -0.6087177479         137.8654446        0.3912822521    
FOB,PFOB,DIAG,PSTEP=   -0.2910703779E-01   -0.2885113488E-01     8.654194929        0.4857721197E-04
J1,K1,R1,R2,RAT= 113 113     100.4845863       -0.8564444799        0.1435555201    
FOB,PFOB,DIAG,PSTEP=   -0.6298605562E-01    0.6192145110E-01     5.805191076       -0.2141275617E-03
J1,K1,R1,R2,RAT= 114 114    -1361.355675        0.8627851395        0.1372148605    
FOB,PFOB,DIAG,PSTEP=   -0.8989173326        0.8977786423         3.299460986        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001      0.00000      0.00000     -0.00000      0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00003 
    -0.00001     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00001      0.00000      0.00001     -0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001     -0.00002 
    -0.00002     -0.00002      0.00001      0.00004      0.00001      0.00000 
    -0.00003     -0.00000     -0.00001      0.00004     -0.00001     -0.00008 
     0.00002      0.00001     -0.00007     -0.00000     -0.00006      0.00002 
    -0.00001      0.00002     -0.00004     -0.00003      0.00001      0.00005 
    -0.00001     -0.00002     -0.00004     -0.00003      0.00003     -0.00005 
     0.00003     -0.00007      0.00006     -0.00005     -0.00002      0.00001 
    -0.00000     -0.00005     -0.00008     -0.00005      0.00007     -0.00010 
    -0.00006      0.00015      0.00004      0.00000      0.00021      0.00019 
     0.00010      0.01470     -0.00009     -0.02911     -0.06299     -0.89892 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3881919853
 Log product of positive Hessian eigenvalues =          519.1136516807
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2994609858
 Unscaled step for mode    7=        0.0000000133
 Unscaled step for mode    8=        0.0000000163
 Unscaled step for mode    9=        0.0000000164
 Unscaled step for mode   10=       -0.0000000045
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000311
 Unscaled step for mode   13=        0.0000000059
 Unscaled step for mode   14=       -0.0000000199
 Unscaled step for mode   15=       -0.0000000001
 Unscaled step for mode   16=       -0.0000000076
 Unscaled step for mode   17=        0.0000000073
 Unscaled step for mode   18=       -0.0000000009
 Unscaled step for mode   19=        0.0000000452
 Unscaled step for mode   20=        0.0000000018
 Unscaled step for mode   21=        0.0000000025
 Unscaled step for mode   22=        0.0000000422
 Unscaled step for mode   23=       -0.0000000254
 Unscaled step for mode   24=        0.0000000298
 Unscaled step for mode   25=        0.0000000655
 Unscaled step for mode   26=        0.0000000930
 Unscaled step for mode   27=        0.0000000371
 Unscaled step for mode   28=       -0.0000000161
 Unscaled step for mode   29=        0.0000000942
 Unscaled step for mode   30=        0.0000000986
 Unscaled step for mode   31=        0.0000001070
 Unscaled step for mode   32=        0.0000000754
 Unscaled step for mode   33=       -0.0000000440
 Unscaled step for mode   34=        0.0000000704
 Unscaled step for mode   35=       -0.0000001115
 Unscaled step for mode   36=       -0.0000001389
 Unscaled step for mode   37=       -0.0000000477
 Unscaled step for mode   38=       -0.0000000290
 Unscaled step for mode   39=        0.0000000836
 Unscaled step for mode   40=        0.0000001774
 Unscaled step for mode   41=        0.0000002170
 Unscaled step for mode   42=        0.0000001532
 Unscaled step for mode   43=        0.0000000683
 Unscaled step for mode   44=        0.0000002712
 Unscaled step for mode   45=       -0.0000000852
 Unscaled step for mode   46=       -0.0000001994
 Unscaled step for mode   47=        0.0000001333
 Unscaled step for mode   48=        0.0000000197
 Unscaled step for mode   49=       -0.0000001830
 Unscaled step for mode   50=       -0.0000000473
 Unscaled step for mode   51=        0.0000000784
 Unscaled step for mode   52=       -0.0000000285
 Unscaled step for mode   53=       -0.0000000789
 Unscaled step for mode   54=        0.0000001550
 Unscaled step for mode   55=       -0.0000001750
 Unscaled step for mode   56=       -0.0000001064
 Unscaled step for mode   57=        0.0000000888
 Unscaled step for mode   58=        0.0000002048
 Unscaled step for mode   59=        0.0000000799
 Unscaled step for mode   60=        0.0000001454
 Unscaled step for mode   61=        0.0000001650
 Unscaled step for mode   62=        0.0000001724
 Unscaled step for mode   63=       -0.0000000712
 Unscaled step for mode   64=       -0.0000003112
 Unscaled step for mode   65=       -0.0000000579
 Unscaled step for mode   66=       -0.0000000085
 Unscaled step for mode   67=        0.0000002799
 Unscaled step for mode   68=        0.0000000281
 Unscaled step for mode   69=        0.0000000704
 Unscaled step for mode   70=       -0.0000003814
 Unscaled step for mode   71=        0.0000000752
 Unscaled step for mode   72=        0.0000007962
 Unscaled step for mode   73=       -0.0000001794
 Unscaled step for mode   74=       -0.0000001417
 Unscaled step for mode   75=        0.0000006851
 Unscaled step for mode   76=        0.0000000382
 Unscaled step for mode   77=        0.0000006631
 Unscaled step for mode   78=       -0.0000001682
 Unscaled step for mode   79=        0.0000000744
 Unscaled step for mode   80=       -0.0000002147
 Unscaled step for mode   81=        0.0000004706
 Unscaled step for mode   82=        0.0000003723
 Unscaled step for mode   83=       -0.0000001220
 Unscaled step for mode   84=       -0.0000006341
 Unscaled step for mode   85=        0.0000001316
 Unscaled step for mode   86=        0.0000002377
 Unscaled step for mode   87=        0.0000005722
 Unscaled step for mode   88=        0.0000004871
 Unscaled step for mode   89=       -0.0000005819
 Unscaled step for mode   90=        0.0000007794
 Unscaled step for mode   91=       -0.0000005397
 Unscaled step for mode   92=        0.0000013317
 Unscaled step for mode   93=       -0.0000010755
 Unscaled step for mode   94=        0.0000009631
 Unscaled step for mode   95=        0.0000003423
 Unscaled step for mode   96=       -0.0000001964
 Unscaled step for mode   97=        0.0000000165
 Unscaled step for mode   98=        0.0000011939
 Unscaled step for mode   99=        0.0000019876
 Unscaled step for mode  100=        0.0000014978
 Unscaled step for mode  101=       -0.0000022342
 Unscaled step for mode  102=        0.0000034662
 Unscaled step for mode  103=        0.0000021936
 Unscaled step for mode  104=       -0.0000055396
 Unscaled step for mode  105=       -0.0000015401
 Unscaled step for mode  106=       -0.0000001484
 Unscaled step for mode  107=       -0.0000104870
 Unscaled step for mode  108=       -0.0000113749
 Unscaled step for mode  109=       -0.0000070098
 Unscaled step for mode  110=       -0.0012012378
 Unscaled step for mode  111=        0.0000090060
 Unscaled step for mode  112=        0.0033633063
 Unscaled step for mode  113=        0.0108486769
 Unscaled step for mode  114=       -0.2547612051
 Largest modulus ratio of non-zero e/values=           225.7395089    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.113592E-14    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.191936E-14    0.100668E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.153740E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.232345E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.127989E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.725291E-15    0.974199E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.989976E-05    0.744819E+03  0.132915E-07 0.100000E-04    0.997469E+00
   8   -0.110109E-04    0.674529E+03  0.163238E-07 0.100000E-04    0.980471E+00
   9   -0.103461E-04    0.629763E+03  0.164285E-07 0.100000E-04    0.955098E+00
  10    0.273093E-05    0.601408E+03 -0.454090E-08 0.100000E-04    0.872092E+00
  11   -0.218540E-05    0.586699E+03  0.372490E-08 0.100000E-04    0.904496E+00
  12   -0.179814E-04    0.578363E+03  0.310901E-07 0.100000E-04    0.962643E+00
  13   -0.336315E-05    0.566083E+03  0.594108E-08 0.100000E-04    0.964569E+00
  14    0.967855E-05    0.487268E+03 -0.198629E-07 0.100000E-04    0.964079E+00
  15    0.339404E-07    0.461145E+03 -0.736003E-10 0.109000E-04    0.177369E+00
  16    0.351647E-05    0.460103E+03 -0.764280E-08 0.100000E-04    0.884765E+00
  17   -0.323444E-05    0.441812E+03  0.732086E-08 0.100000E-04    0.820283E+00
  18    0.406578E-06    0.428897E+03 -0.947961E-09 0.100000E-04    0.314132E+00
  19   -0.190897E-04    0.422055E+03  0.452304E-07 0.100000E-04    0.984036E+00
  20   -0.737853E-06    0.408399E+03  0.180670E-08 0.100000E-04    0.728053E+00
  21   -0.100682E-05    0.396537E+03  0.253903E-08 0.100000E-04    0.764404E+00
  22   -0.163722E-04    0.387888E+03  0.422086E-07 0.100000E-04    0.994689E+00
  23    0.940759E-05    0.369749E+03 -0.254431E-07 0.100000E-04    0.929268E+00
  24   -0.107285E-04    0.360534E+03  0.297571E-07 0.100000E-04    0.985091E+00
  25   -0.228939E-04    0.349509E+03  0.655029E-07 0.100000E-04    0.990737E+00
  26   -0.311598E-04    0.335105E+03  0.929852E-07 0.100000E-04    0.989599E+00
  27   -0.122005E-04    0.328838E+03  0.371020E-07 0.100000E-04    0.969991E+00
  28    0.518288E-05    0.321908E+03 -0.161005E-07 0.100000E-04    0.907468E+00
  29   -0.300299E-04    0.318952E+03  0.941518E-07 0.100000E-04    0.976350E+00
  30   -0.305581E-04    0.309848E+03  0.986229E-07 0.100000E-04    0.974442E+00
  31   -0.322156E-04    0.301125E+03  0.106984E-06 0.100000E-04    0.977822E+00
  32   -0.219019E-04    0.290369E+03  0.754278E-07 0.100000E-04    0.982529E+00
  33    0.122508E-04    0.278505E+03 -0.439877E-07 0.100000E-04    0.959066E+00
  34   -0.191687E-04    0.272425E+03  0.703632E-07 0.100000E-04    0.975346E+00
  35    0.299128E-04    0.268269E+03 -0.111503E-06 0.100000E-04    0.982028E+00
  36    0.367838E-04    0.264818E+03 -0.138902E-06 0.100000E-04    0.993009E+00
  37    0.125604E-04    0.263251E+03 -0.477127E-07 0.100000E-04    0.985755E+00
  38    0.734057E-05    0.253377E+03 -0.289709E-07 0.100000E-04    0.996025E+00
  39   -0.201799E-04    0.241495E+03  0.835623E-07 0.100000E-04    0.976601E+00
  40   -0.426499E-04    0.240471E+03  0.177360E-06 0.100000E-04    0.996478E+00
  41   -0.507370E-04    0.233767E+03  0.217041E-06 0.100000E-04    0.994834E+00
  42   -0.348487E-04    0.227458E+03  0.153209E-06 0.100000E-04    0.976024E+00
  43   -0.148280E-04    0.217026E+03  0.683236E-07 0.100000E-04    0.957099E+00
  44   -0.582743E-04    0.214856E+03  0.271225E-06 0.100000E-04    0.984117E+00
  45    0.181667E-04    0.213288E+03 -0.851746E-07 0.100000E-04    0.979299E+00
  46    0.413723E-04    0.207470E+03 -0.199413E-06 0.100000E-04    0.994268E+00
  47   -0.270858E-04    0.203167E+03  0.133318E-06 0.100000E-04    0.981106E+00
  48   -0.385726E-05    0.195797E+03  0.197003E-07 0.100000E-04    0.831137E+00
  49    0.356461E-04    0.194745E+03 -0.183039E-06 0.100000E-04    0.983166E+00
  50    0.905135E-05    0.191299E+03 -0.473152E-07 0.100000E-04    0.824134E+00
  51   -0.143332E-04    0.182848E+03  0.783884E-07 0.100000E-04    0.995425E+00
  52    0.496781E-05    0.174112E+03 -0.285323E-07 0.100000E-04    0.927646E+00
  53    0.135963E-04    0.172306E+03 -0.789079E-07 0.100000E-04    0.982104E+00
  54   -0.260565E-04    0.168069E+03  0.155034E-06 0.100000E-04    0.999775E+00
  55    0.285995E-04    0.163470E+03 -0.174953E-06 0.100000E-04    0.995388E+00
  56    0.167138E-04    0.157070E+03 -0.106410E-06 0.100000E-04    0.982620E+00
  57   -0.137480E-04    0.154756E+03  0.888368E-07 0.100000E-04    0.956095E+00
  58   -0.311804E-04    0.152240E+03  0.204810E-06 0.100000E-04    0.996359E+00
  59   -0.117441E-04    0.146958E+03  0.799147E-07 0.100000E-04    0.998564E+00
  60   -0.208662E-04    0.143488E+03  0.145421E-06 0.100000E-04    0.982910E+00
  61   -0.227480E-04    0.137877E+03  0.164988E-06 0.100000E-04    0.917654E+00
  62   -0.234329E-04    0.135887E+03  0.172444E-06 0.100000E-04    0.982011E+00
  63    0.928218E-05    0.130405E+03 -0.711799E-07 0.100000E-04    0.845973E+00
  64    0.400579E-04    0.128741E+03 -0.311150E-06 0.100000E-04    0.983311E+00
  65    0.733597E-05    0.126805E+03 -0.578526E-07 0.100000E-04    0.752300E+00
  66    0.105642E-05    0.124487E+03 -0.848624E-08 0.100000E-04    0.668672E+00
  67   -0.335787E-04    0.119967E+03  0.279900E-06 0.100000E-04    0.974932E+00
  68   -0.332419E-05    0.118162E+03  0.281324E-07 0.100000E-04    0.939725E+00
  69   -0.823581E-05    0.117016E+03  0.703817E-07 0.100000E-04    0.932268E+00
  70    0.420806E-04    0.110334E+03 -0.381391E-06 0.100000E-04    0.973815E+00
  71   -0.804688E-05    0.106966E+03  0.752284E-07 0.100000E-04    0.931642E+00
  72   -0.831201E-04    0.104399E+03  0.796175E-06 0.100000E-04    0.986064E+00
  73    0.184596E-04    0.102874E+03 -0.179439E-06 0.100000E-04    0.987346E+00
  74    0.141097E-04    0.995956E+02 -0.141670E-06 0.100000E-04    0.971691E+00
  75   -0.658335E-04    0.960868E+02  0.685146E-06 0.100000E-04    0.989390E+00
  76   -0.359939E-05    0.941861E+02  0.382157E-07 0.100000E-04    0.921582E+00
  77   -0.611896E-04    0.922771E+02  0.663106E-06 0.100000E-04    0.988117E+00
  78    0.153214E-04    0.911045E+02 -0.168173E-06 0.100000E-04    0.995742E+00
  79   -0.659496E-05    0.886401E+02  0.744015E-07 0.100000E-04    0.999399E+00
  80    0.183517E-04    0.854929E+02 -0.214658E-06 0.100000E-04    0.970103E+00
  81   -0.380338E-04    0.808243E+02  0.470574E-06 0.100000E-04    0.994842E+00
  82   -0.298942E-04    0.802888E+02  0.372334E-06 0.100000E-04    0.965019E+00
  83    0.952118E-05    0.780348E+02 -0.122012E-06 0.100000E-04    0.928765E+00
  84    0.464961E-04    0.733265E+02 -0.634097E-06 0.100000E-04    0.948441E+00
  85   -0.957000E-05    0.727296E+02  0.131583E-06 0.100000E-04    0.822814E+00
  86   -0.161792E-04    0.680567E+02  0.237732E-06 0.100000E-04    0.929834E+00
  87   -0.371719E-04    0.649590E+02  0.572236E-06 0.100000E-04    0.950626E+00
  88   -0.300224E-04    0.616353E+02  0.487098E-06 0.100000E-04    0.998179E+00
  89    0.348730E-04    0.599312E+02 -0.581883E-06 0.100000E-04    0.962089E+00
  90   -0.462916E-04    0.593967E+02  0.779363E-06 0.100000E-04    0.988726E+00
  91    0.314615E-04    0.582955E+02 -0.539689E-06 0.100000E-04    0.901642E+00
  92   -0.745079E-04    0.559491E+02  0.133171E-05 0.100000E-04    0.971265E+00
  93    0.564714E-04    0.525083E+02 -0.107547E-05 0.100000E-04    0.995901E+00
  94   -0.502423E-04    0.521665E+02  0.963114E-06 0.100000E-04    0.987272E+00
  95   -0.171457E-04    0.500831E+02  0.342345E-06 0.100000E-04    0.885972E+00
  96    0.911691E-05    0.464166E+02 -0.196415E-06 0.100000E-04    0.816929E+00
  97   -0.711733E-06    0.431856E+02  0.164808E-07 0.109000E-04    0.185159E+00
  98   -0.487776E-04    0.408552E+02  0.119391E-05 0.100000E-04    0.952490E+00
  99   -0.753456E-04    0.379076E+02  0.198761E-05 0.100000E-04    0.950418E+00
 100   -0.545129E-04    0.363956E+02  0.149779E-05 0.100000E-04    0.982493E+00
 101    0.726758E-04    0.325290E+02 -0.223419E-05 0.100000E-04    0.920083E+00
 102   -0.998972E-04    0.288202E+02  0.346622E-05 0.100000E-04    0.973501E+00
 103   -0.624145E-04    0.284531E+02  0.219360E-05 0.100000E-04    0.985251E+00
 104    0.145739E-03    0.263086E+02 -0.553960E-05 0.100000E-04    0.979255E+00
 105    0.358809E-04    0.232972E+02 -0.154014E-05 0.100000E-04    0.893365E+00
 106    0.315690E-05    0.212741E+02 -0.148391E-06 0.100000E-04    0.725463E+01
 107    0.209371E-03    0.199647E+02 -0.100000E-04 0.100000E-04    0.980360E+00
 108    0.188238E-03    0.165485E+02 -0.100000E-04 0.100000E-04    0.974898E+00
 109    0.973324E-04    0.138852E+02 -0.700981E-05 0.100000E-04    0.975442E+00
 110    0.147014E-01    0.122386E+02 -0.100000E-04 0.100000E-04    0.501153E+00
 111   -0.908725E-04    0.100902E+02  0.900604E-05 0.100000E-04    0.986559E+00
 112   -0.291070E-01    0.865419E+01  0.437633E-04 0.437633E-04    0.391282E+00
 113   -0.629861E-01    0.580519E+01  0.233399E-03 0.233399E-03    0.143556E+00
 114   -0.898917E+00    0.329946E+01 -0.400000E-03 0.400000E-03    0.137215E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2547612051    

 Beginning of optimization cycle  497.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3045405189
 potential> RMS force:                                               0.0845659372   |gradient|=.9029171288    
 Eigenvalues of the Hessian matrix:
   744.91121    674.51972    629.80135    601.37643    586.68622    578.40138 
   566.04566    487.28675    461.11895    460.08848    441.80992    428.90691 
   422.05221    408.38671    396.52984    387.87291    369.76497    360.53167 
   349.50025    335.11343    328.86181    321.90911    318.94814    309.83227 
   301.10521    290.38152    278.51778    272.44114    268.28139    264.82186 
   263.28268    253.36770    241.49276    240.48824    233.77219    227.45557 
   217.01980    214.85900    213.28879    207.47801    203.15933    195.78023 
   194.74667    191.30033    182.84699    174.11816    172.30483    168.07624 
   163.45762    157.05797    154.76261    152.24352    146.94324    143.48443 
   137.88564    135.88555    130.40077    128.74559    126.80947    124.47114 
   119.96775    118.16270    117.01082    110.33374    106.96049    104.39926 
   102.87125     99.59307     96.09010     94.18466     92.25863     91.10924 
    88.62975     85.49744     80.82370     80.29681     78.03106     73.32805 
    72.72587     68.05171     64.94978     61.61935     59.92802     59.39706 
    58.28602     55.94569     52.50649     52.16152     50.08707     46.40564 
    43.19271     40.85824     37.90726     36.39025     32.51495     28.82225 
    28.45242     26.30475     23.29858     21.27763     19.95672     16.54458 
    13.88597     12.23850     10.09050      8.66508      5.79903      3.29328 
overlap for current and previous eigenvector    109 is        -0.9999990435
overlap for current and previous eigenvector    110 is         0.9999997451
overlap for current and previous eigenvector    111 is        -0.9999987218
overlap for current and previous eigenvector    112 is         0.9999967990
overlap for current and previous eigenvector    113 is        -0.9999933002
overlap for current and previous eigenvector    114 is        -0.9999957019
J1,K1,R1,R2,RAT=   7   7   -0.4692096155E-02     2.004443735        0.9953079038    
FOB,PFOB,DIAG,PSTEP=   -0.9946218579E-05   -0.9899762174E-05     744.9112063        0.1329150589E-07
J1,K1,R1,R2,RAT=   8   8   -0.1963153637E-01     2.019660215        0.9803684636    
FOB,PFOB,DIAG,PSTEP=   -0.1122707403E-04   -0.1101091593E-04     674.5197246        0.1632384886E-07
J1,K1,R1,R2,RAT=   9   9   -0.4886231562E-01     2.048740305        0.9511376844    
FOB,PFOB,DIAG,PSTEP=   -0.1085165380E-04   -0.1034608909E-04     629.8013545        0.1642854563E-07
J1,K1,R1,R2,RAT=  10  10    0.1144989582         1.885605521        0.8855010418    
FOB,PFOB,DIAG,PSTEP=    0.2418258236E-05    0.2730930612E-05     601.3764296       -0.4540896220E-08
J1,K1,R1,R2,RAT=  11  11    0.1649268130E-01     1.983550263        0.9835073187    
FOB,PFOB,DIAG,PSTEP=   -0.2149354494E-05   -0.2185396772E-05     586.6862155        0.3724904029E-08
J1,K1,R1,R2,RAT= 109 109     2.003487762       -0.3603119558E-02    0.9963968804    
FOB,PFOB,DIAG,PSTEP=   -0.9768316824E-04    0.9733244756E-04     13.88596875       -0.7009814270E-05
J1,K1,R1,R2,RAT= 110 110    0.6221210023         239.6270701        0.3778789977    
FOB,PFOB,DIAG,PSTEP=    0.1462531036E-01    0.1470144864E-01     12.23850001       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.998182737        0.1753330009E-02    0.9981827366    
FOB,PFOB,DIAG,PSTEP=    0.9071320093E-04   -0.9087253557E-04     10.09050205        0.9006037566E-05
J1,K1,R1,R2,RAT= 112 112   -0.8409274593         154.3541146        0.1590725407    
FOB,PFOB,DIAG,PSTEP=   -0.2942592775E-01   -0.2910703779E-01     8.665082671        0.4376325403E-04
J1,K1,R1,R2,RAT= 113 113     93.89501317       -0.8228678741        0.1771321259    
FOB,PFOB,DIAG,PSTEP=    0.6409979812E-01   -0.6298605562E-01     5.799033452        0.2333990423E-03
J1,K1,R1,R2,RAT= 114 114    -1365.628347        0.8516240019        0.1483759981    
FOB,PFOB,DIAG,PSTEP=    0.9000391859       -0.8989173326         3.293276174       -0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00000      0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00002      0.00004     -0.00003     -0.00000 
     0.00004      0.00001     -0.00001     -0.00000     -0.00001      0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001     -0.00002 
    -0.00002     -0.00002      0.00001      0.00004      0.00001      0.00000 
    -0.00003     -0.00000     -0.00001      0.00004     -0.00001     -0.00008 
     0.00002      0.00001     -0.00006     -0.00000      0.00006     -0.00002 
    -0.00001      0.00002     -0.00004     -0.00003      0.00001      0.00004 
    -0.00001     -0.00002     -0.00004     -0.00003      0.00004     -0.00005 
     0.00003     -0.00008      0.00006     -0.00005     -0.00002      0.00001 
     0.00000     -0.00005     -0.00007     -0.00005      0.00008     -0.00010 
    -0.00006      0.00014      0.00003      0.00000      0.00023      0.00021 
    -0.00010      0.01463      0.00009     -0.02943      0.06410      0.90004 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3879232070
 Log product of positive Hessian eigenvalues =          519.1099024421
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2932761737
 Unscaled step for mode    7=        0.0000000134
 Unscaled step for mode    8=        0.0000000166
 Unscaled step for mode    9=        0.0000000172
 Unscaled step for mode   10=       -0.0000000040
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000322
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000206
 Unscaled step for mode   15=        0.0000000003
 Unscaled step for mode   16=       -0.0000000068
 Unscaled step for mode   17=        0.0000000090
 Unscaled step for mode   18=       -0.0000000005
 Unscaled step for mode   19=        0.0000000446
 Unscaled step for mode   20=        0.0000000023
 Unscaled step for mode   21=        0.0000000034
 Unscaled step for mode   22=        0.0000000424
 Unscaled step for mode   23=       -0.0000000272
 Unscaled step for mode   24=        0.0000000301
 Unscaled step for mode   25=        0.0000000651
 Unscaled step for mode   26=        0.0000000915
 Unscaled step for mode   27=        0.0000000360
 Unscaled step for mode   28=       -0.0000000144
 Unscaled step for mode   29=        0.0000000919
 Unscaled step for mode   30=        0.0000001010
 Unscaled step for mode   31=        0.0000001096
 Unscaled step for mode   32=        0.0000000770
 Unscaled step for mode   33=       -0.0000000417
 Unscaled step for mode   34=        0.0000000685
 Unscaled step for mode   35=       -0.0000001128
 Unscaled step for mode   36=       -0.0000001407
 Unscaled step for mode   37=       -0.0000000451
 Unscaled step for mode   38=       -0.0000000291
 Unscaled step for mode   39=        0.0000000831
 Unscaled step for mode   40=        0.0000001778
 Unscaled step for mode   41=        0.0000002171
 Unscaled step for mode   42=        0.0000001567
 Unscaled step for mode   43=        0.0000000678
 Unscaled step for mode   44=        0.0000002750
 Unscaled step for mode   45=       -0.0000000868
 Unscaled step for mode   46=       -0.0000002005
 Unscaled step for mode   47=        0.0000001346
 Unscaled step for mode   48=        0.0000000248
 Unscaled step for mode   49=       -0.0000001858
 Unscaled step for mode   50=       -0.0000000568
 Unscaled step for mode   51=        0.0000000773
 Unscaled step for mode   52=        0.0000000263
 Unscaled step for mode   53=        0.0000000782
 Unscaled step for mode   54=       -0.0000001556
 Unscaled step for mode   55=       -0.0000001756
 Unscaled step for mode   56=       -0.0000001079
 Unscaled step for mode   57=        0.0000000861
 Unscaled step for mode   58=        0.0000002057
 Unscaled step for mode   59=        0.0000000793
 Unscaled step for mode   60=        0.0000001430
 Unscaled step for mode   61=        0.0000001529
 Unscaled step for mode   62=        0.0000001740
 Unscaled step for mode   63=       -0.0000000878
 Unscaled step for mode   64=       -0.0000003045
 Unscaled step for mode   65=       -0.0000000461
 Unscaled step for mode   66=       -0.0000000157
 Unscaled step for mode   67=        0.0000002880
 Unscaled step for mode   68=        0.0000000256
 Unscaled step for mode   69=        0.0000000673
 Unscaled step for mode   70=       -0.0000003913
 Unscaled step for mode   71=        0.0000000777
 Unscaled step for mode   72=        0.0000007848
 Unscaled step for mode   73=       -0.0000001733
 Unscaled step for mode   74=       -0.0000001365
 Unscaled step for mode   75=        0.0000006711
 Unscaled step for mode   76=        0.0000000474
 Unscaled step for mode   77=       -0.0000006621
 Unscaled step for mode   78=        0.0000001731
 Unscaled step for mode   79=        0.0000000750
 Unscaled step for mode   80=       -0.0000002208
 Unscaled step for mode   81=        0.0000004756
 Unscaled step for mode   82=        0.0000003831
 Unscaled step for mode   83=       -0.0000001335
 Unscaled step for mode   84=       -0.0000006039
 Unscaled step for mode   85=        0.0000001644
 Unscaled step for mode   86=        0.0000002257
 Unscaled step for mode   87=        0.0000005491
 Unscaled step for mode   88=        0.0000004752
 Unscaled step for mode   89=       -0.0000006122
 Unscaled step for mode   90=        0.0000007898
 Unscaled step for mode   91=       -0.0000004990
 Unscaled step for mode   92=        0.0000013731
 Unscaled step for mode   93=       -0.0000011002
 Unscaled step for mode   94=        0.0000009483
 Unscaled step for mode   95=        0.0000003946
 Unscaled step for mode   96=       -0.0000001790
 Unscaled step for mode   97=       -0.0000000803
 Unscaled step for mode   98=        0.0000011495
 Unscaled step for mode   99=        0.0000018866
 Unscaled step for mode  100=        0.0000014675
 Unscaled step for mode  101=       -0.0000024775
 Unscaled step for mode  102=        0.0000033819
 Unscaled step for mode  103=        0.0000022154
 Unscaled step for mode  104=       -0.0000053674
 Unscaled step for mode  105=       -0.0000014007
 Unscaled step for mode  106=       -0.0000000785
 Unscaled step for mode  107=       -0.0000112997
 Unscaled step for mode  108=       -0.0000126353
 Unscaled step for mode  109=        0.0000070347
 Unscaled step for mode  110=       -0.0011950230
 Unscaled step for mode  111=       -0.0000089900
 Unscaled step for mode  112=        0.0033958809
 Unscaled step for mode  113=       -0.0110521812
 Unscaled step for mode  114=        0.2554606573
 Largest modulus ratio of non-zero e/values=           226.1915391    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.942172E-16    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.161156E-14    0.100668E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.352962E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.803394E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.570587E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.133730E-14    0.974202E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.994622E-05    0.744911E+03  0.133522E-07 0.100000E-04    0.995308E+00
   8   -0.112271E-04    0.674520E+03  0.166445E-07 0.100000E-04    0.980368E+00
   9   -0.108517E-04    0.629801E+03  0.172303E-07 0.100000E-04    0.951138E+00
  10    0.241826E-05    0.601376E+03 -0.402121E-08 0.100000E-04    0.885501E+00
  11   -0.214935E-05    0.586686E+03  0.366355E-08 0.100000E-04    0.983507E+00
  12   -0.186293E-04    0.578401E+03  0.322083E-07 0.100000E-04    0.963970E+00
  13   -0.351445E-05    0.566046E+03  0.620878E-08 0.100000E-04    0.955008E+00
  14    0.100619E-04    0.487287E+03 -0.206488E-07 0.100000E-04    0.960394E+00
  15   -0.138680E-06    0.461119E+03  0.300747E-09 0.100000E-04    0.208616E+01
  16    0.311024E-05    0.460088E+03 -0.676010E-08 0.100000E-04    0.884474E+00
  17   -0.397237E-05    0.441810E+03  0.899113E-08 0.100000E-04    0.771853E+00
  18    0.228601E-06    0.428907E+03 -0.532986E-09 0.100000E-04    0.562221E+00
  19   -0.188183E-04    0.422052E+03  0.445875E-07 0.100000E-04    0.985782E+00
  20   -0.943679E-06    0.408387E+03  0.231075E-08 0.100000E-04    0.721038E+00
  21   -0.134141E-05    0.396530E+03  0.338286E-08 0.100000E-04    0.667674E+00
  22   -0.164269E-04    0.387873E+03  0.423513E-07 0.100000E-04    0.996659E+00
  23    0.100449E-04    0.369765E+03 -0.271656E-07 0.100000E-04    0.932260E+00
  24   -0.108470E-04    0.360532E+03  0.300862E-07 0.100000E-04    0.988949E+00
  25   -0.227370E-04    0.349500E+03  0.650558E-07 0.100000E-04    0.993149E+00
  26   -0.306614E-04    0.335113E+03  0.914957E-07 0.100000E-04    0.983957E+00
  27   -0.118301E-04    0.328862E+03  0.359729E-07 0.100000E-04    0.969496E+00
  28    0.464304E-05    0.321909E+03 -0.144235E-07 0.100000E-04    0.895834E+00
  29   -0.293032E-04    0.318948E+03  0.918744E-07 0.100000E-04    0.975801E+00
  30   -0.312834E-04    0.309832E+03  0.100969E-06 0.100000E-04    0.976262E+00
  31   -0.330031E-04    0.301105E+03  0.109606E-06 0.100000E-04    0.975553E+00
  32   -0.223610E-04    0.290382E+03  0.770055E-07 0.100000E-04    0.979042E+00
  33    0.116244E-04    0.278518E+03 -0.417367E-07 0.100000E-04    0.948781E+00
  34   -0.186697E-04    0.272441E+03  0.685275E-07 0.100000E-04    0.973853E+00
  35    0.302504E-04    0.268281E+03 -0.112756E-06 0.100000E-04    0.988714E+00
  36    0.372587E-04    0.264822E+03 -0.140694E-06 0.100000E-04    0.987088E+00
  37    0.118617E-04    0.263283E+03 -0.450533E-07 0.100000E-04    0.944142E+00
  38    0.736978E-05    0.253368E+03 -0.290873E-07 0.100000E-04    0.996019E+00
  39   -0.200591E-04    0.241493E+03  0.830629E-07 0.100000E-04    0.994012E+00
  40   -0.427502E-04    0.240488E+03  0.177764E-06 0.100000E-04    0.997650E+00
  41   -0.507404E-04    0.233772E+03  0.217051E-06 0.100000E-04    0.999931E+00
  42   -0.356528E-04    0.227456E+03  0.156746E-06 0.100000E-04    0.976925E+00
  43   -0.147181E-04    0.217020E+03  0.678192E-07 0.100000E-04    0.992590E+00
  44   -0.590877E-04    0.214859E+03  0.275007E-06 0.100000E-04    0.986042E+00
  45    0.185034E-04    0.213289E+03 -0.867527E-07 0.100000E-04    0.981469E+00
  46    0.416011E-04    0.207478E+03 -0.200508E-06 0.100000E-04    0.994470E+00
  47   -0.273479E-04    0.203159E+03  0.134613E-06 0.100000E-04    0.990322E+00
  48   -0.484874E-05    0.195780E+03  0.247662E-07 0.100000E-04    0.742935E+00
  49    0.361750E-04    0.194747E+03 -0.185754E-06 0.100000E-04    0.985162E+00
  50    0.108713E-04    0.191300E+03 -0.568284E-07 0.100000E-04    0.798932E+00
  51   -0.141419E-04    0.182847E+03  0.773426E-07 0.100000E-04    0.986652E+00
  52   -0.458664E-05    0.174118E+03  0.263421E-07 0.100000E-04    0.923200E+00
  53   -0.134827E-04    0.172305E+03  0.782489E-07 0.100000E-04    0.991643E+00
  54    0.261444E-04    0.168076E+03 -0.155551E-06 0.100000E-04    0.996628E+00
  55    0.287010E-04    0.163458E+03 -0.175587E-06 0.100000E-04    0.996451E+00
  56    0.169409E-04    0.157058E+03 -0.107864E-06 0.100000E-04    0.986407E+00
  57   -0.133250E-04    0.154763E+03  0.860994E-07 0.100000E-04    0.969145E+00
  58   -0.313238E-04    0.152244E+03  0.205748E-06 0.100000E-04    0.995399E+00
  59   -0.116456E-04    0.146943E+03  0.792522E-07 0.100000E-04    0.991611E+00
  60   -0.205160E-04    0.143484E+03  0.142984E-06 0.100000E-04    0.983219E+00
  61   -0.210772E-04    0.137886E+03  0.152860E-06 0.100000E-04    0.926425E+00
  62   -0.236462E-04    0.135886E+03  0.174015E-06 0.100000E-04    0.990898E+00
  63    0.114435E-04    0.130401E+03 -0.877561E-07 0.100000E-04    0.767151E+00
  64    0.392082E-04    0.128746E+03 -0.304540E-06 0.100000E-04    0.978724E+00
  65    0.584742E-05    0.126809E+03 -0.461119E-07 0.100000E-04    0.797018E+00
  66    0.194947E-05    0.124471E+03 -0.156620E-07 0.109000E-04    0.154546E+00
  67   -0.345525E-04    0.119968E+03  0.288015E-06 0.100000E-04    0.971000E+00
  68   -0.302484E-05    0.118163E+03  0.255989E-07 0.100000E-04    0.909940E+00
  69   -0.788037E-05    0.117011E+03  0.673473E-07 0.100000E-04    0.956840E+00
  70    0.431784E-04    0.110334E+03 -0.391344E-06 0.100000E-04    0.973912E+00
  71   -0.831119E-05    0.106960E+03  0.777034E-07 0.100000E-04    0.967151E+00
  72   -0.819284E-04    0.104399E+03  0.784760E-06 0.100000E-04    0.985663E+00
  73    0.178306E-04    0.102871E+03 -0.173329E-06 0.100000E-04    0.965921E+00
  74    0.135985E-04    0.995931E+02 -0.136541E-06 0.100000E-04    0.963768E+00
  75   -0.644871E-04    0.960901E+02  0.671111E-06 0.100000E-04    0.979482E+00
  76   -0.446792E-05    0.941847E+02  0.474378E-07 0.100000E-04    0.758699E+00
  77    0.610884E-04    0.922586E+02 -0.662143E-06 0.100000E-04    0.998347E+00
  78   -0.157753E-04    0.911092E+02  0.173147E-06 0.100000E-04    0.970377E+00
  79   -0.664725E-05    0.886297E+02  0.750002E-07 0.100000E-04    0.992070E+00
  80    0.188766E-04    0.854974E+02 -0.220786E-06 0.100000E-04    0.971402E+00
  81   -0.384361E-04    0.808237E+02  0.475555E-06 0.100000E-04    0.989423E+00
  82   -0.307584E-04    0.802968E+02  0.383058E-06 0.100000E-04    0.971096E+00
  83    0.104186E-04    0.780311E+02 -0.133519E-06 0.100000E-04    0.905742E+00
  84    0.442845E-04    0.733281E+02 -0.603923E-06 0.100000E-04    0.952392E+00
  85   -0.119586E-04    0.727259E+02  0.164434E-06 0.100000E-04    0.750391E+00
  86   -0.153626E-04    0.680517E+02  0.225748E-06 0.100000E-04    0.949519E+00
  87   -0.356649E-04    0.649498E+02  0.549115E-06 0.100000E-04    0.959453E+00
  88   -0.292843E-04    0.616193E+02  0.475246E-06 0.100000E-04    0.975409E+00
  89    0.366863E-04    0.599280E+02 -0.612173E-06 0.100000E-04    0.947998E+00
  90   -0.469136E-04    0.593971E+02  0.789830E-06 0.100000E-04    0.986564E+00
  91    0.290846E-04    0.582860E+02 -0.498997E-06 0.100000E-04    0.924438E+00
  92   -0.768217E-04    0.559457E+02  0.137315E-05 0.100000E-04    0.968943E+00
  93    0.577650E-04    0.525065E+02 -0.110015E-05 0.100000E-04    0.977091E+00
  94   -0.494628E-04    0.521615E+02  0.948263E-06 0.100000E-04    0.984483E+00
  95   -0.197639E-04    0.500871E+02  0.394592E-06 0.100000E-04    0.847304E+00
  96    0.830456E-05    0.464056E+02 -0.178956E-06 0.100000E-04    0.910876E+00
  97    0.346972E-05    0.431927E+02 -0.803311E-07 0.100000E-04    0.287440E+01
  98   -0.469678E-04    0.408582E+02  0.114953E-05 0.100000E-04    0.962751E+00
  99   -0.715148E-04    0.379073E+02  0.188657E-05 0.100000E-04    0.949157E+00
 100   -0.534041E-04    0.363902E+02  0.146754E-05 0.100000E-04    0.979656E+00
 101    0.805542E-04    0.325149E+02 -0.247745E-05 0.100000E-04    0.891549E+00
 102   -0.974753E-04    0.288223E+02  0.338195E-05 0.100000E-04    0.975617E+00
 103   -0.630337E-04    0.284524E+02  0.221541E-05 0.100000E-04    0.990079E+00
 104    0.141189E-03    0.263048E+02 -0.536742E-05 0.100000E-04    0.968773E+00
 105    0.326347E-04    0.232986E+02 -0.140072E-05 0.100000E-04    0.909419E+00
 106    0.167010E-05    0.212776E+02 -0.784911E-07 0.100000E-04    0.528782E+00
 107    0.225504E-03    0.199567E+02 -0.100000E-04 0.100000E-04    0.919156E+00
 108    0.209045E-03    0.165446E+02 -0.100000E-04 0.100000E-04    0.874233E+00
 109   -0.976832E-04    0.138860E+02  0.703467E-05 0.100000E-04    0.996397E+00
 110    0.146253E-01    0.122385E+02 -0.100000E-04 0.100000E-04    0.377879E+00
 111    0.907132E-04    0.100905E+02 -0.898996E-05 0.100000E-04    0.998183E+00
 112   -0.294259E-01    0.866508E+01  0.477019E-04 0.477019E-04    0.159073E+00
 113    0.640998E-01    0.579903E+01 -0.254405E-03 0.254405E-03    0.177132E+00
 114    0.900039E+00    0.329328E+01  0.400000E-03 0.400000E-03    0.148376E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2554606573    

 Beginning of optimization cycle  498.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3041979039
 potential> RMS force:                                               0.0846775791   |gradient|=.9041091378    
 Eigenvalues of the Hessian matrix:
   745.00567    674.50828    629.84195    601.34396    586.67301    578.43948 
   566.00460    487.30428    461.09237    460.07390    441.80705    428.91861 
   422.04911    408.37301    396.52203    387.85656    369.78059    360.52942 
   349.49146    335.12218    328.88613    321.90981    318.94600    309.81600 
   301.08591    290.39351    278.53246    272.45716    268.29396    264.82653 
   263.31456    253.35800    241.49044    240.50628    233.77813    227.45397 
   217.01462    214.86218    213.28910    207.48647    203.15109    195.76327 
   194.74862    191.30209    182.84658    174.12547    172.30392    168.08349 
   163.44491    157.04567    154.76936    152.24654    146.92836    143.48054 
   137.89502    135.88445    130.39663    128.74989    126.81445    124.45451 
   119.96903    118.16309    117.00484    110.33336    106.95481    104.39941 
   102.86859     99.59044     96.09311     94.18286     92.24014     91.11420 
    88.61910     85.50226     80.82316     80.30543     78.02714     73.32923 
    72.72147     68.04637     64.94022     61.60330     59.92463     59.39746 
    58.27643     55.94198     52.50448     52.15610     50.09151     46.39436 
    43.20022     40.86126     37.90674     36.38430     32.50080     28.82448 
    28.45188     26.30120     23.29991     21.28110     19.94881     16.54054 
    13.88679     12.23842     10.09076      8.67723      5.79319      3.28702 
overlap for current and previous eigenvector    109 is         0.9999988789
overlap for current and previous eigenvector    110 is         0.9999997253
overlap for current and previous eigenvector    111 is        -0.9999985085
overlap for current and previous eigenvector    112 is        -0.9999960440
overlap for current and previous eigenvector    113 is         0.9999920608
overlap for current and previous eigenvector    114 is         0.9999950122
J1,K1,R1,R2,RAT=   7   7   -0.9178079403E-02     2.008924494        0.9908219206    
FOB,PFOB,DIAG,PSTEP=   -0.1003751734E-04   -0.9946218579E-05     745.0056677        0.1335222036E-07
J1,K1,R1,R2,RAT=   8   8   -0.2289903761E-01     2.022932964        0.9771009624    
FOB,PFOB,DIAG,PSTEP=   -0.1148415885E-04   -0.1122707403E-04     674.5082829        0.1664454517E-07
J1,K1,R1,R2,RAT=   9   9   -0.6800825658E-01     2.067879357        0.9319917434    
FOB,PFOB,DIAG,PSTEP=   -0.1158970342E-04   -0.1085165380E-04     629.8419477        0.1723028019E-07
J1,K1,R1,R2,RAT=  10  10    0.6171385570E-01     1.938394135        0.9382861443    
FOB,PFOB,DIAG,PSTEP=    0.2269026254E-05    0.2418258236E-05     601.3439598       -0.4021205549E-08
J1,K1,R1,R2,RAT=  11  11    0.4560638336E-01     1.954438619        0.9543936166    
FOB,PFOB,DIAG,PSTEP=   -0.2051332414E-05   -0.2149354494E-05     586.6730147        0.3663550356E-08
J1,K1,R1,R2,RAT= 109 109   -0.3868822041E-01     2.038569395        0.9613117796    
FOB,PFOB,DIAG,PSTEP=   -0.1014625807E-03   -0.9768316824E-04     13.88679381        0.7034667149E-05
J1,K1,R1,R2,RAT= 110 110    0.7410272840         238.2654165        0.2589727160    
FOB,PFOB,DIAG,PSTEP=    0.1453462030E-01    0.1462531036E-01     12.23842347       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     2.010579319       -0.1063090205E-01    0.9893690980    
FOB,PFOB,DIAG,PSTEP=   -0.9167758896E-04    0.9071320093E-04     10.09076231       -0.8989959116E-05
J1,K1,R1,R2,RAT= 112 112     142.9699016       -0.7884345271        0.2115654729    
FOB,PFOB,DIAG,PSTEP=    0.2975227714E-01   -0.2942592775E-01     8.677229105        0.4770194689E-04
J1,K1,R1,R2,RAT= 113 113   -0.8093056807         87.79403671        0.1906943193    
FOB,PFOB,DIAG,PSTEP=    0.6529256678E-01    0.6409979812E-01     5.793193903       -0.2544049561E-03
J1,K1,R1,R2,RAT= 114 114    0.8373232578        -1369.919126        0.1626767422    
FOB,PFOB,DIAG,PSTEP=    0.9011401044        0.9000391859         3.287017561        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00002      0.00004     -0.00003     -0.00001 
     0.00004      0.00001     -0.00001     -0.00000     -0.00001      0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001     -0.00002 
    -0.00002     -0.00002      0.00001      0.00004      0.00000      0.00000 
    -0.00004     -0.00000     -0.00001      0.00004     -0.00001     -0.00008 
    -0.00002     -0.00001     -0.00006     -0.00001     -0.00006     -0.00002 
    -0.00001      0.00002     -0.00004     -0.00003      0.00001      0.00004 
    -0.00001     -0.00001     -0.00003     -0.00003      0.00004     -0.00005 
     0.00003     -0.00008      0.00006     -0.00005     -0.00002      0.00001 
     0.00001     -0.00005     -0.00007     -0.00005      0.00009     -0.00010 
    -0.00006      0.00014      0.00003     -0.00000      0.00026      0.00025 
    -0.00010      0.01453     -0.00009      0.02975      0.06529      0.90114 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3876554266
 Log product of positive Hessian eigenvalues =          519.1062902975
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2870175610
 Unscaled step for mode    7=        0.0000000135
 Unscaled step for mode    8=        0.0000000170
 Unscaled step for mode    9=        0.0000000184
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000035
 Unscaled step for mode   12=        0.0000000339
 Unscaled step for mode   13=        0.0000000062
 Unscaled step for mode   14=       -0.0000000216
 Unscaled step for mode   15=        0.0000000013
 Unscaled step for mode   16=       -0.0000000057
 Unscaled step for mode   17=        0.0000000111
 Unscaled step for mode   18=        0.0000000004
 Unscaled step for mode   19=        0.0000000439
 Unscaled step for mode   20=        0.0000000032
 Unscaled step for mode   21=        0.0000000046
 Unscaled step for mode   22=        0.0000000430
 Unscaled step for mode   23=       -0.0000000294
 Unscaled step for mode   24=        0.0000000308
 Unscaled step for mode   25=        0.0000000640
 Unscaled step for mode   26=        0.0000000896
 Unscaled step for mode   27=        0.0000000339
 Unscaled step for mode   28=       -0.0000000122
 Unscaled step for mode   29=        0.0000000894
 Unscaled step for mode   30=        0.0000001036
 Unscaled step for mode   31=        0.0000001119
 Unscaled step for mode   32=        0.0000000800
 Unscaled step for mode   33=       -0.0000000400
 Unscaled step for mode   34=        0.0000000671
 Unscaled step for mode   35=       -0.0000001142
 Unscaled step for mode   36=       -0.0000001434
 Unscaled step for mode   37=       -0.0000000415
 Unscaled step for mode   38=       -0.0000000291
 Unscaled step for mode   39=        0.0000000824
 Unscaled step for mode   40=        0.0000001793
 Unscaled step for mode   41=        0.0000002171
 Unscaled step for mode   42=        0.0000001617
 Unscaled step for mode   43=        0.0000000664
 Unscaled step for mode   44=        0.0000002798
 Unscaled step for mode   45=       -0.0000000892
 Unscaled step for mode   46=       -0.0000002021
 Unscaled step for mode   47=        0.0000001361
 Unscaled step for mode   48=        0.0000000315
 Unscaled step for mode   49=       -0.0000001874
 Unscaled step for mode   50=       -0.0000000654
 Unscaled step for mode   51=        0.0000000748
 Unscaled step for mode   52=        0.0000000224
 Unscaled step for mode   53=        0.0000000774
 Unscaled step for mode   54=       -0.0000001546
 Unscaled step for mode   55=       -0.0000001767
 Unscaled step for mode   56=       -0.0000001139
 Unscaled step for mode   57=        0.0000000817
 Unscaled step for mode   58=        0.0000002072
 Unscaled step for mode   59=        0.0000000809
 Unscaled step for mode   60=        0.0000001384
 Unscaled step for mode   61=        0.0000001404
 Unscaled step for mode   62=        0.0000001769
 Unscaled step for mode   63=       -0.0000001054
 Unscaled step for mode   64=       -0.0000002976
 Unscaled step for mode   65=       -0.0000000319
 Unscaled step for mode   66=       -0.0000000229
 Unscaled step for mode   67=        0.0000002988
 Unscaled step for mode   68=        0.0000000210
 Unscaled step for mode   69=        0.0000000642
 Unscaled step for mode   70=       -0.0000003987
 Unscaled step for mode   71=        0.0000000819
 Unscaled step for mode   72=        0.0000007754
 Unscaled step for mode   73=        0.0000001655
 Unscaled step for mode   74=        0.0000001317
 Unscaled step for mode   75=        0.0000006549
 Unscaled step for mode   76=        0.0000000543
 Unscaled step for mode   77=        0.0000006632
 Unscaled step for mode   78=        0.0000001655
 Unscaled step for mode   79=        0.0000000793
 Unscaled step for mode   80=       -0.0000002240
 Unscaled step for mode   81=        0.0000004816
 Unscaled step for mode   82=        0.0000003928
 Unscaled step for mode   83=       -0.0000001326
 Unscaled step for mode   84=       -0.0000005764
 Unscaled step for mode   85=        0.0000001984
 Unscaled step for mode   86=        0.0000002091
 Unscaled step for mode   87=        0.0000005221
 Unscaled step for mode   88=        0.0000004818
 Unscaled step for mode   89=       -0.0000006453
 Unscaled step for mode   90=        0.0000008034
 Unscaled step for mode   91=       -0.0000004406
 Unscaled step for mode   92=        0.0000014095
 Unscaled step for mode   93=       -0.0000011411
 Unscaled step for mode   94=        0.0000009371
 Unscaled step for mode   95=        0.0000004379
 Unscaled step for mode   96=       -0.0000001540
 Unscaled step for mode   97=       -0.0000001792
 Unscaled step for mode   98=        0.0000011031
 Unscaled step for mode   99=        0.0000017735
 Unscaled step for mode  100=        0.0000013970
 Unscaled step for mode  101=       -0.0000027713
 Unscaled step for mode  102=        0.0000032970
 Unscaled step for mode  103=        0.0000022650
 Unscaled step for mode  104=       -0.0000053023
 Unscaled step for mode  105=       -0.0000011546
 Unscaled step for mode  106=        0.0000001706
 Unscaled step for mode  107=       -0.0000130352
 Unscaled step for mode  108=       -0.0000151016
 Unscaled step for mode  109=        0.0000073064
 Unscaled step for mode  110=       -0.0011876203
 Unscaled step for mode  111=        0.0000090853
 Unscaled step for mode  112=       -0.0034287359
 Unscaled step for mode  113=       -0.0112691334
 Unscaled step for mode  114=        0.2561617936
 Largest modulus ratio of non-zero e/values=           226.6509545    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.102208E-14    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.189920E-14    0.100667E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.139568E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.277339E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.430428E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.363330E-15    0.974206E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.100375E-04    0.745006E+03  0.134731E-07 0.100000E-04    0.990822E+00
   8   -0.114842E-04    0.674508E+03  0.170260E-07 0.100000E-04    0.977101E+00
   9   -0.115897E-04    0.629842E+03  0.184010E-07 0.100000E-04    0.931992E+00
  10    0.226903E-05    0.601344E+03 -0.377326E-08 0.100000E-04    0.938286E+00
  11   -0.205133E-05    0.586673E+03  0.349655E-08 0.100000E-04    0.954394E+00
  12   -0.195856E-04    0.578439E+03  0.338595E-07 0.100000E-04    0.948668E+00
  13   -0.353114E-05    0.566005E+03  0.623871E-08 0.100000E-04    0.995253E+00
  14    0.105070E-04    0.487304E+03 -0.215614E-07 0.100000E-04    0.955767E+00
  15   -0.597568E-06    0.461092E+03  0.129598E-08 0.100000E-04    0.230916E+01
  16    0.264331E-05    0.460074E+03 -0.574540E-08 0.100000E-04    0.849867E+00
  17   -0.489548E-05    0.441807E+03  0.110806E-07 0.100000E-04    0.767615E+00
  18   -0.179556E-06    0.428919E+03  0.418626E-09 0.100000E-04    0.785408E+00
  19   -0.185310E-04    0.422049E+03  0.439073E-07 0.100000E-04    0.984736E+00
  20   -0.130283E-05    0.408373E+03  0.319028E-08 0.100000E-04    0.619406E+00
  21   -0.182916E-05    0.396522E+03  0.461300E-08 0.100000E-04    0.636380E+00
  22   -0.166715E-04    0.387857E+03  0.429837E-07 0.100000E-04    0.985110E+00
  23    0.108703E-04    0.369781E+03 -0.293967E-07 0.100000E-04    0.917828E+00
  24   -0.110983E-04    0.360529E+03  0.307834E-07 0.100000E-04    0.976834E+00
  25   -0.223659E-04    0.349491E+03  0.639954E-07 0.100000E-04    0.983675E+00
  26   -0.300401E-04    0.335122E+03  0.896393E-07 0.100000E-04    0.979684E+00
  27   -0.111631E-04    0.328886E+03  0.339421E-07 0.100000E-04    0.943474E+00
  28    0.393408E-05    0.321910E+03 -0.122211E-07 0.100000E-04    0.847303E+00
  29   -0.285204E-04    0.318946E+03  0.894208E-07 0.100000E-04    0.973287E+00
  30   -0.321081E-04    0.309816E+03  0.103636E-06 0.100000E-04    0.973637E+00
  31   -0.337061E-04    0.301086E+03  0.111948E-06 0.100000E-04    0.978697E+00
  32   -0.232434E-04    0.290394E+03  0.800411E-07 0.100000E-04    0.960537E+00
  33    0.111502E-04    0.278532E+03 -0.400318E-07 0.100000E-04    0.959098E+00
  34   -0.182730E-04    0.272457E+03  0.670675E-07 0.100000E-04    0.978637E+00
  35    0.306514E-04    0.268294E+03 -0.114246E-06 0.100000E-04    0.986743E+00
  36    0.379651E-04    0.264827E+03 -0.143359E-06 0.100000E-04    0.981041E+00
  37    0.109261E-04    0.263315E+03 -0.414945E-07 0.100000E-04    0.920889E+00
  38    0.738228E-05    0.253358E+03 -0.291377E-07 0.100000E-04    0.998305E+00
  39   -0.199014E-04    0.241490E+03  0.824106E-07 0.100000E-04    0.992137E+00
  40   -0.431157E-04    0.240506E+03  0.179271E-06 0.100000E-04    0.991451E+00
  41   -0.507592E-04    0.233778E+03  0.217125E-06 0.100000E-04    0.999631E+00
  42   -0.367753E-04    0.227454E+03  0.161682E-06 0.100000E-04    0.968516E+00
  43   -0.144197E-04    0.217015E+03  0.664456E-07 0.100000E-04    0.979723E+00
  44   -0.601202E-04    0.214862E+03  0.279808E-06 0.100000E-04    0.982526E+00
  45    0.190170E-04    0.213289E+03 -0.891606E-07 0.100000E-04    0.972243E+00
  46    0.419279E-04    0.207486E+03 -0.202076E-06 0.100000E-04    0.992143E+00
  47   -0.276492E-04    0.203151E+03  0.136102E-06 0.100000E-04    0.988981E+00
  48   -0.615849E-05    0.195763E+03  0.314589E-07 0.100000E-04    0.729855E+00
  49    0.364955E-04    0.194749E+03 -0.187398E-06 0.100000E-04    0.991141E+00
  50    0.125080E-04    0.191302E+03 -0.653834E-07 0.100000E-04    0.849451E+00
  51   -0.136705E-04    0.182847E+03  0.747646E-07 0.100000E-04    0.966665E+00
  52   -0.389660E-05    0.174125E+03  0.223781E-07 0.100000E-04    0.849477E+00
  53   -0.133369E-04    0.172304E+03  0.774033E-07 0.100000E-04    0.989187E+00
  54    0.259887E-04    0.168083E+03 -0.154618E-06 0.100000E-04    0.993960E+00
  55    0.288842E-04    0.163445E+03 -0.176722E-06 0.100000E-04    0.993616E+00
  56    0.178810E-04    0.157046E+03 -0.113859E-06 0.100000E-04    0.944505E+00
  57   -0.126519E-04    0.154769E+03  0.817469E-07 0.100000E-04    0.949404E+00
  58   -0.315408E-04    0.152247E+03  0.207169E-06 0.100000E-04    0.993072E+00
  59   -0.118910E-04    0.146928E+03  0.809307E-07 0.100000E-04    0.978921E+00
  60   -0.198566E-04    0.143481E+03  0.138392E-06 0.100000E-04    0.967856E+00
  61   -0.193628E-04    0.137895E+03  0.140417E-06 0.100000E-04    0.918530E+00
  62   -0.240423E-04    0.135884E+03  0.176932E-06 0.100000E-04    0.983246E+00
  63    0.137438E-04    0.130397E+03 -0.105400E-06 0.100000E-04    0.798973E+00
  64    0.383174E-04    0.128750E+03 -0.297611E-06 0.100000E-04    0.977215E+00
  65    0.404188E-05    0.126814E+03 -0.318724E-07 0.100000E-04    0.691158E+00
  66    0.285581E-05    0.124455E+03 -0.229466E-07 0.100000E-04    0.535024E+00
  67   -0.358468E-04    0.119969E+03  0.298800E-06 0.100000E-04    0.962541E+00
  68   -0.248437E-05    0.118163E+03  0.210249E-07 0.100000E-04    0.821316E+00
  69   -0.750981E-05    0.117005E+03  0.641837E-07 0.100000E-04    0.952974E+00
  70    0.439945E-04    0.110333E+03 -0.398742E-06 0.100000E-04    0.981099E+00
  71   -0.875574E-05    0.106955E+03  0.818639E-07 0.100000E-04    0.946510E+00
  72   -0.809474E-04    0.104399E+03  0.775363E-06 0.100000E-04    0.988024E+00
  73   -0.170214E-04    0.102869E+03  0.165467E-06 0.100000E-04    0.954616E+00
  74   -0.131187E-04    0.995904E+02  0.131726E-06 0.100000E-04    0.964713E+00
  75   -0.629305E-04    0.960931E+02  0.654891E-06 0.100000E-04    0.975799E+00
  76   -0.511020E-05    0.941829E+02  0.542582E-07 0.100000E-04    0.856244E+00
  77   -0.611730E-04    0.922401E+02  0.663193E-06 0.100000E-04    0.998614E+00
  78   -0.150780E-04    0.911142E+02  0.165484E-06 0.100000E-04    0.955694E+00
  79   -0.702433E-05    0.886191E+02  0.792643E-07 0.100000E-04    0.943266E+00
  80    0.191495E-04    0.855023E+02 -0.223964E-06 0.100000E-04    0.985546E+00
  81   -0.389207E-04    0.808232E+02  0.481554E-06 0.100000E-04    0.987391E+00
  82   -0.315417E-04    0.803054E+02  0.392772E-06 0.100000E-04    0.974535E+00
  83    0.103486E-04    0.780271E+02 -0.132629E-06 0.100000E-04    0.993286E+00
  84    0.422652E-04    0.733292E+02 -0.576376E-06 0.100000E-04    0.954371E+00
  85   -0.144287E-04    0.727215E+02  0.198410E-06 0.100000E-04    0.793437E+00
  86   -0.142254E-04    0.680464E+02  0.209054E-06 0.100000E-04    0.925971E+00
  87   -0.339025E-04    0.649402E+02  0.522057E-06 0.100000E-04    0.950577E+00
  88   -0.296814E-04    0.616033E+02  0.481815E-06 0.100000E-04    0.986439E+00
  89    0.386678E-04    0.599246E+02 -0.645274E-06 0.100000E-04    0.945986E+00
  90   -0.477199E-04    0.593975E+02  0.803399E-06 0.100000E-04    0.982813E+00
  91    0.256791E-04    0.582764E+02 -0.440644E-06 0.100000E-04    0.882894E+00
  92   -0.788503E-04    0.559420E+02  0.140950E-05 0.100000E-04    0.973593E+00
  93    0.599136E-04    0.525045E+02 -0.114111E-05 0.100000E-04    0.962803E+00
  94   -0.488770E-04    0.521561E+02  0.937130E-06 0.100000E-04    0.988156E+00
  95   -0.219352E-04    0.500915E+02  0.437903E-06 0.100000E-04    0.890151E+00
  96    0.714269E-05    0.463944E+02 -0.153956E-06 0.100000E-04    0.860058E+00
  97    0.774197E-05    0.432002E+02 -0.179211E-06 0.100000E-04    0.231081E+00
  98   -0.450734E-04    0.408613E+02  0.110308E-05 0.100000E-04    0.959520E+00
  99   -0.672283E-04    0.379067E+02  0.177352E-05 0.100000E-04    0.940061E+00
 100   -0.508305E-04    0.363843E+02  0.139704E-05 0.100000E-04    0.951802E+00
 101    0.900696E-04    0.325008E+02 -0.277130E-05 0.100000E-04    0.881824E+00
 102   -0.950334E-04    0.288245E+02  0.329697E-05 0.100000E-04    0.974795E+00
 103   -0.644435E-04    0.284519E+02  0.226500E-05 0.100000E-04    0.977635E+00
 104    0.139456E-03    0.263012E+02 -0.530227E-05 0.100000E-04    0.987727E+00
 105    0.269027E-04    0.232999E+02 -0.115463E-05 0.100000E-04    0.824255E+00
 106   -0.363020E-05    0.212811E+02  0.170583E-06 0.109000E-04    0.173445E+00
 107    0.260037E-03    0.199488E+02 -0.100000E-04 0.100000E-04    0.826893E+00
 108    0.249789E-03    0.165405E+02 -0.100000E-04 0.100000E-04    0.753676E+00
 109   -0.101463E-03    0.138868E+02  0.730641E-05 0.100000E-04    0.961312E+00
 110    0.145346E-01    0.122384E+02 -0.100000E-04 0.100000E-04    0.258973E+00
 111   -0.916776E-04    0.100908E+02  0.908530E-05 0.100000E-04    0.989369E+00
 112    0.297523E-01    0.867723E+01 -0.429747E-04 0.429747E-04    0.211565E+00
 113    0.652926E-01    0.579319E+01 -0.277301E-03 0.277301E-03    0.190694E+00
 114    0.901140E+00    0.328702E+01  0.400000E-03 0.400000E-03    0.162677E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2561617936    

 Beginning of optimization cycle  499.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3038564891
 potential> RMS force:                                               0.0847880365   |gradient|=.9052885009    
 Eigenvalues of the Hessian matrix:
   745.10210    674.49451    629.88395    601.31180    586.65888    578.47813 
   565.96075    487.32065    461.06555    460.05882    441.80347    428.93230 
   422.04615    408.35846    396.51394    387.84015    369.79614    360.52766 
   349.48349    335.13171    328.91091    321.90984    318.94567    309.79948 
   301.06720    290.40579    278.54856    272.47366    268.30752    264.83164 
   263.34749    253.34868    241.48891    240.52497    233.78508    227.45343 
   217.01061    214.86512    213.28911    207.49540    203.14250    195.74602 
   194.75134    191.30393    182.84699    174.13350    172.30302    168.09125 
   163.43185    157.03324    154.77645    152.24949    146.91302    143.47605 
   137.90486    135.88334    130.39205    128.75437    126.81931    124.43694 
   119.97028    118.16332    116.99823    110.33314    106.94881    104.39942 
   102.86575     99.58761     96.09587     94.18059     92.22164     91.11948 
    88.60808     85.50732     80.82264     80.31461     78.02293     73.32989 
    72.71631     68.04034     64.93023     61.58714     59.92091     59.39763 
    58.26643     55.93777     52.50221     52.15016     50.09617     46.38264 
    43.20810     40.86419     37.90580     36.37712     32.48647     28.82675 
    28.45140     26.29785     23.30137     21.28427     19.94101     16.53632 
    13.88761     12.23831     10.09103      8.69025      5.78746      3.28071 
overlap for current and previous eigenvector    109 is         0.9999987224
overlap for current and previous eigenvector    110 is         0.9999996802
overlap for current and previous eigenvector    111 is         0.9999982101
overlap for current and previous eigenvector    112 is         0.9999954588
overlap for current and previous eigenvector    113 is         0.9999910411
overlap for current and previous eigenvector    114 is         0.9999942859
J1,K1,R1,R2,RAT=   7   7   -0.5600533886E-02     2.005341681        0.9943994661    
FOB,PFOB,DIAG,PSTEP=   -0.1009374007E-04   -0.1003751734E-04     745.1021035        0.1347307514E-07
J1,K1,R1,R2,RAT=   8   8   -0.1847617815E-01     2.018517011        0.9815238219    
FOB,PFOB,DIAG,PSTEP=   -0.1169633789E-04   -0.1148415885E-04     674.4945120        0.1702597158E-07
J1,K1,R1,R2,RAT=   9   9   -0.5295853972E-01     2.052825166        0.9470414603    
FOB,PFOB,DIAG,PSTEP=   -0.1220351813E-04   -0.1158970342E-04     629.8839526        0.1840097101E-07
J1,K1,R1,R2,RAT=  10  10    0.1492294660         1.850877484        0.8507705340    
FOB,PFOB,DIAG,PSTEP=    0.1930438784E-05    0.2269026254E-05     601.3118045       -0.3773258577E-08
J1,K1,R1,R2,RAT=  11  11    0.1792948916E-01     1.982118687        0.9820705108    
FOB,PFOB,DIAG,PSTEP=   -0.2014553958E-05   -0.2051332414E-05     586.6588831        0.3496551508E-08
J1,K1,R1,R2,RAT= 109 109   -0.6102046184E-02     2.005985117        0.9938979538    
FOB,PFOB,DIAG,PSTEP=   -0.1020817463E-03   -0.1014625807E-03     13.88760575        0.7306407952E-05
J1,K1,R1,R2,RAT= 110 110    0.8874835722         236.6391828        0.1125164278    
FOB,PFOB,DIAG,PSTEP=    0.1442600734E-01    0.1453462030E-01     12.23830615       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.4616471217E-02     1.995330651        0.9953306508    
FOB,PFOB,DIAG,PSTEP=   -0.9125435081E-04   -0.9167758896E-04     10.09102911        0.9085298626E-05
J1,K1,R1,R2,RAT= 112 112    -1.058478909         160.3911348        0.5847890862E-01
FOB,PFOB,DIAG,PSTEP=    0.3014757787E-01    0.2975227714E-01     8.690250302       -0.4297472693E-04
J1,K1,R1,R2,RAT= 113 113   -0.7858037089         82.15379186        0.2141962911    
FOB,PFOB,DIAG,PSTEP=    0.6655368045E-01    0.6529256678E-01     5.787461221       -0.2773014021E-03
J1,K1,R1,R2,RAT= 114 114    0.8227537342        -1374.215872        0.1772462658    
FOB,PFOB,DIAG,PSTEP=    0.9022197900        0.9011401044         3.280707077        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00002      0.00004     -0.00003     -0.00001 
     0.00004      0.00001     -0.00001     -0.00000     -0.00001      0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001     -0.00002 
    -0.00002     -0.00002      0.00002      0.00004      0.00000      0.00000 
    -0.00004     -0.00000     -0.00001     -0.00005     -0.00001     -0.00008 
    -0.00002     -0.00001     -0.00006     -0.00001      0.00006     -0.00002 
    -0.00001      0.00002     -0.00004     -0.00003      0.00001     -0.00004 
     0.00002      0.00001     -0.00003     -0.00003      0.00004     -0.00005 
     0.00002     -0.00008      0.00006     -0.00005     -0.00002      0.00001 
     0.00001     -0.00004     -0.00006     -0.00005      0.00010     -0.00009 
    -0.00007      0.00013      0.00002     -0.00000      0.00032      0.00031 
    -0.00010      0.01443     -0.00009      0.03015      0.06655      0.90222 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3874145208
 Log product of positive Hessian eigenvalues =          519.1026659134
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2807070767
 Unscaled step for mode    7=        0.0000000135
 Unscaled step for mode    8=        0.0000000173
 Unscaled step for mode    9=        0.0000000194
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000034
 Unscaled step for mode   12=        0.0000000352
 Unscaled step for mode   13=        0.0000000066
 Unscaled step for mode   14=       -0.0000000225
 Unscaled step for mode   15=        0.0000000018
 Unscaled step for mode   16=       -0.0000000047
 Unscaled step for mode   17=        0.0000000131
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000431
 Unscaled step for mode   20=        0.0000000037
 Unscaled step for mode   21=        0.0000000056
 Unscaled step for mode   22=        0.0000000431
 Unscaled step for mode   23=       -0.0000000314
 Unscaled step for mode   24=        0.0000000310
 Unscaled step for mode   25=        0.0000000634
 Unscaled step for mode   26=        0.0000000877
 Unscaled step for mode   27=        0.0000000325
 Unscaled step for mode   28=       -0.0000000099
 Unscaled step for mode   29=        0.0000000863
 Unscaled step for mode   30=        0.0000001067
 Unscaled step for mode   31=        0.0000001150
 Unscaled step for mode   32=        0.0000000822
 Unscaled step for mode   33=       -0.0000000372
 Unscaled step for mode   34=        0.0000000646
 Unscaled step for mode   35=       -0.0000001157
 Unscaled step for mode   36=       -0.0000001457
 Unscaled step for mode   37=       -0.0000000380
 Unscaled step for mode   38=       -0.0000000292
 Unscaled step for mode   39=        0.0000000820
 Unscaled step for mode   40=        0.0000001794
 Unscaled step for mode   41=        0.0000002169
 Unscaled step for mode   42=        0.0000001663
 Unscaled step for mode   43=        0.0000000659
 Unscaled step for mode   44=        0.0000002841
 Unscaled step for mode   45=       -0.0000000908
 Unscaled step for mode   46=       -0.0000002034
 Unscaled step for mode   47=        0.0000001376
 Unscaled step for mode   48=        0.0000000384
 Unscaled step for mode   49=       -0.0000001907
 Unscaled step for mode   50=       -0.0000000766
 Unscaled step for mode   51=        0.0000000732
 Unscaled step for mode   52=        0.0000000191
 Unscaled step for mode   53=        0.0000000767
 Unscaled step for mode   54=       -0.0000001557
 Unscaled step for mode   55=       -0.0000001776
 Unscaled step for mode   56=       -0.0000001158
 Unscaled step for mode   57=        0.0000000788
 Unscaled step for mode   58=        0.0000002084
 Unscaled step for mode   59=        0.0000000802
 Unscaled step for mode   60=        0.0000001354
 Unscaled step for mode   61=        0.0000001267
 Unscaled step for mode   62=        0.0000001792
 Unscaled step for mode   63=       -0.0000001252
 Unscaled step for mode   64=       -0.0000002889
 Unscaled step for mode   65=       -0.0000000183
 Unscaled step for mode   66=       -0.0000000320
 Unscaled step for mode   67=        0.0000003081
 Unscaled step for mode   68=        0.0000000176
 Unscaled step for mode   69=        0.0000000608
 Unscaled step for mode   70=        0.0000004099
 Unscaled step for mode   71=        0.0000000853
 Unscaled step for mode   72=        0.0000007609
 Unscaled step for mode   73=        0.0000001589
 Unscaled step for mode   74=        0.0000001263
 Unscaled step for mode   75=        0.0000006394
 Unscaled step for mode   76=        0.0000000636
 Unscaled step for mode   77=       -0.0000006612
 Unscaled step for mode   78=        0.0000001694
 Unscaled step for mode   79=        0.0000000820
 Unscaled step for mode   80=       -0.0000002316
 Unscaled step for mode   81=        0.0000004870
 Unscaled step for mode   82=        0.0000004048
 Unscaled step for mode   83=       -0.0000001464
 Unscaled step for mode   84=        0.0000005420
 Unscaled step for mode   85=       -0.0000002361
 Unscaled step for mode   86=       -0.0000001941
 Unscaled step for mode   87=        0.0000004909
 Unscaled step for mode   88=        0.0000004678
 Unscaled step for mode   89=       -0.0000006767
 Unscaled step for mode   90=        0.0000008179
 Unscaled step for mode   91=       -0.0000003878
 Unscaled step for mode   92=        0.0000014618
 Unscaled step for mode   93=       -0.0000011758
 Unscaled step for mode   94=        0.0000009206
 Unscaled step for mode   95=        0.0000004958
 Unscaled step for mode   96=       -0.0000001295
 Unscaled step for mode   97=       -0.0000002854
 Unscaled step for mode   98=        0.0000010592
 Unscaled step for mode   99=        0.0000016543
 Unscaled step for mode  100=        0.0000013581
 Unscaled step for mode  101=       -0.0000030879
 Unscaled step for mode  102=        0.0000031966
 Unscaled step for mode  103=        0.0000023021
 Unscaled step for mode  104=       -0.0000050841
 Unscaled step for mode  105=       -0.0000009649
 Unscaled step for mode  106=        0.0000002308
 Unscaled step for mode  107=       -0.0000160087
 Unscaled step for mode  108=       -0.0000188657
 Unscaled step for mode  109=        0.0000073506
 Unscaled step for mode  110=       -0.0011787569
 Unscaled step for mode  111=        0.0000090431
 Unscaled step for mode  112=       -0.0034690848
 Unscaled step for mode  113=       -0.0114981127
 Unscaled step for mode  114=        0.2568630878
 Largest modulus ratio of non-zero e/values=           227.1163155    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.952580E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.252039E-14    0.100667E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.721265E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.676542E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.438194E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.171130E-14    0.974210E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.100937E-04    0.745102E+03  0.135468E-07 0.100000E-04    0.994399E+00
   8   -0.116963E-04    0.674495E+03  0.173409E-07 0.100000E-04    0.981524E+00
   9   -0.122035E-04    0.629884E+03  0.193742E-07 0.100000E-04    0.947041E+00
  10    0.193044E-05    0.601312E+03 -0.321038E-08 0.100000E-04    0.850771E+00
  11   -0.201455E-05    0.586659E+03  0.343394E-08 0.100000E-04    0.982071E+00
  12   -0.203590E-04    0.578478E+03  0.351940E-07 0.100000E-04    0.960519E+00
  13   -0.372300E-05    0.565961E+03  0.657819E-08 0.100000E-04    0.945662E+00
  14    0.109852E-04    0.487321E+03 -0.225421E-07 0.100000E-04    0.954482E+00
  15   -0.838594E-06    0.461066E+03  0.181882E-08 0.100000E-04    0.596632E+00
  16    0.215980E-05    0.460059E+03 -0.469461E-08 0.100000E-04    0.817075E+00
  17   -0.577858E-05    0.441803E+03  0.130795E-07 0.100000E-04    0.819608E+00
  18   -0.410698E-06    0.428932E+03  0.957490E-09 0.100000E-04    0.287253E+00
  19   -0.181990E-04    0.422046E+03  0.431209E-07 0.100000E-04    0.982082E+00
  20   -0.151391E-05    0.408358E+03  0.370731E-08 0.100000E-04    0.837974E+00
  21   -0.222046E-05    0.396514E+03  0.559996E-08 0.100000E-04    0.786070E+00
  22   -0.167237E-04    0.387840E+03  0.431200E-07 0.100000E-04    0.996870E+00
  23    0.116265E-04    0.369796E+03 -0.314402E-07 0.100000E-04    0.930444E+00
  24   -0.111796E-04    0.360528E+03  0.310089E-07 0.100000E-04    0.992677E+00
  25   -0.221560E-04    0.349483E+03  0.633965E-07 0.100000E-04    0.990618E+00
  26   -0.293946E-04    0.335132E+03  0.877107E-07 0.100000E-04    0.978457E+00
  27   -0.106768E-04    0.328911E+03  0.324611E-07 0.100000E-04    0.956291E+00
  28    0.320054E-05    0.321910E+03 -0.994234E-08 0.100000E-04    0.813541E+00
  29   -0.275171E-04    0.318946E+03  0.862751E-07 0.100000E-04    0.964820E+00
  30   -0.330710E-04    0.309799E+03  0.106750E-06 0.100000E-04    0.970008E+00
  31   -0.346336E-04    0.301067E+03  0.115036E-06 0.100000E-04    0.972481E+00
  32   -0.238720E-04    0.290406E+03  0.822021E-07 0.100000E-04    0.972960E+00
  33    0.103541E-04    0.278549E+03 -0.371718E-07 0.100000E-04    0.928498E+00
  34   -0.176147E-04    0.272474E+03  0.646472E-07 0.100000E-04    0.963852E+00
  35    0.310449E-04    0.268308E+03 -0.115706E-06 0.100000E-04    0.987165E+00
  36    0.385792E-04    0.264832E+03 -0.145674E-06 0.100000E-04    0.983826E+00
  37    0.100163E-04    0.263347E+03 -0.380347E-07 0.100000E-04    0.916495E+00
  38    0.738898E-05    0.253349E+03 -0.291653E-07 0.100000E-04    0.999092E+00
  39   -0.198126E-04    0.241489E+03  0.820435E-07 0.100000E-04    0.995540E+00
  40   -0.431470E-04    0.240525E+03  0.179387E-06 0.100000E-04    0.999274E+00
  41   -0.507179E-04    0.233785E+03  0.216942E-06 0.100000E-04    0.999128E+00
  42   -0.378285E-04    0.227453E+03  0.166313E-06 0.100000E-04    0.971360E+00
  43   -0.142983E-04    0.217011E+03  0.658877E-07 0.100000E-04    0.991585E+00
  44   -0.610362E-04    0.214865E+03  0.284068E-06 0.100000E-04    0.984764E+00
  45    0.193708E-04    0.213289E+03 -0.908194E-07 0.100000E-04    0.981395E+00
  46    0.422123E-04    0.207495E+03 -0.203437E-06 0.100000E-04    0.993217E+00
  47   -0.279546E-04    0.203142E+03  0.137611E-06 0.100000E-04    0.988957E+00
  48   -0.751083E-05    0.195746E+03  0.383703E-07 0.100000E-04    0.780391E+00
  49    0.371305E-04    0.194751E+03 -0.190656E-06 0.100000E-04    0.982600E+00
  50    0.146446E-04    0.191304E+03 -0.765514E-07 0.100000E-04    0.829183E+00
  51   -0.133903E-04    0.182847E+03  0.732324E-07 0.100000E-04    0.979503E+00
  52   -0.331788E-05    0.174134E+03  0.190537E-07 0.100000E-04    0.851395E+00
  53   -0.132222E-04    0.172303E+03  0.767383E-07 0.100000E-04    0.991403E+00
  54    0.261744E-04    0.168091E+03 -0.155716E-06 0.100000E-04    0.992855E+00
  55    0.290264E-04    0.163432E+03 -0.177606E-06 0.100000E-04    0.995076E+00
  56    0.181819E-04    0.157033E+03 -0.115784E-06 0.100000E-04    0.983170E+00
  57   -0.121986E-04    0.154776E+03  0.788142E-07 0.100000E-04    0.964079E+00
  58   -0.317324E-04    0.152249E+03  0.208424E-06 0.100000E-04    0.993927E+00
  59   -0.117878E-04    0.146913E+03  0.802363E-07 0.100000E-04    0.991315E+00
  60   -0.194302E-04    0.143476E+03  0.135425E-06 0.100000E-04    0.978524E+00
  61   -0.174739E-04    0.137905E+03  0.126710E-06 0.100000E-04    0.902310E+00
  62   -0.243465E-04    0.135883E+03  0.179172E-06 0.100000E-04    0.987347E+00
  63    0.163232E-04    0.130392E+03 -0.125185E-06 0.100000E-04    0.812320E+00
  64    0.371986E-04    0.128754E+03 -0.288911E-06 0.100000E-04    0.970732E+00
  65    0.231970E-05    0.126819E+03 -0.182914E-07 0.100000E-04    0.573857E+00
  66    0.397951E-05    0.124437E+03 -0.319801E-07 0.100000E-04    0.606466E+00
  67   -0.369606E-04    0.119970E+03  0.308081E-06 0.100000E-04    0.968929E+00
  68   -0.207604E-05    0.118163E+03  0.175693E-07 0.100000E-04    0.835639E+00
  69   -0.710867E-05    0.116998E+03  0.607588E-07 0.100000E-04    0.946582E+00
  70   -0.452262E-04    0.110333E+03  0.409906E-06 0.100000E-04    0.972004E+00
  71   -0.912565E-05    0.106949E+03  0.853273E-07 0.100000E-04    0.957749E+00
  72   -0.794347E-04    0.104399E+03  0.760873E-06 0.100000E-04    0.981312E+00
  73   -0.163429E-04    0.102866E+03  0.158876E-06 0.100000E-04    0.960138E+00
  74   -0.125800E-04    0.995876E+02  0.126321E-06 0.100000E-04    0.958941E+00
  75   -0.614444E-04    0.960959E+02  0.639408E-06 0.100000E-04    0.976329E+00
  76   -0.598675E-05    0.941806E+02  0.635667E-07 0.100000E-04    0.828466E+00
  77    0.609789E-04    0.922216E+02 -0.661221E-06 0.100000E-04    0.996826E+00
  78   -0.154401E-04    0.911195E+02  0.169449E-06 0.100000E-04    0.975984E+00
  79   -0.726986E-05    0.886081E+02  0.820451E-07 0.100000E-04    0.965041E+00
  80    0.198057E-04    0.855073E+02 -0.231626E-06 0.100000E-04    0.965734E+00
  81   -0.393604E-04    0.808226E+02  0.486998E-06 0.100000E-04    0.988702E+00
  82   -0.325117E-04    0.803146E+02  0.404804E-06 0.100000E-04    0.969251E+00
  83    0.114210E-04    0.780229E+02 -0.146380E-06 0.100000E-04    0.896376E+00
  84   -0.397473E-04    0.733299E+02  0.542034E-06 0.100000E-04    0.940408E+00
  85    0.171696E-04    0.727163E+02 -0.236118E-06 0.100000E-04    0.810024E+00
  86    0.132087E-04    0.680403E+02 -0.194130E-06 0.100000E-04    0.928523E+00
  87   -0.318720E-04    0.649302E+02  0.490865E-06 0.100000E-04    0.940098E+00
  88   -0.288099E-04    0.615871E+02  0.467791E-06 0.100000E-04    0.970631E+00
  89    0.405485E-04    0.599209E+02 -0.676700E-06 0.100000E-04    0.951360E+00
  90   -0.485829E-04    0.593976E+02  0.817927E-06 0.100000E-04    0.981915E+00
  91    0.225965E-04    0.582664E+02 -0.387813E-06 0.100000E-04    0.879934E+00
  92   -0.817715E-04    0.559378E+02  0.146183E-05 0.100000E-04    0.962950E+00
  93    0.617329E-04    0.525022E+02 -0.117582E-05 0.100000E-04    0.969633E+00
  94   -0.480119E-04    0.521502E+02  0.920647E-06 0.100000E-04    0.982298E+00
  95   -0.248391E-04    0.500962E+02  0.495829E-06 0.100000E-04    0.867626E+00
  96    0.600659E-05    0.463826E+02 -0.129501E-06 0.100000E-04    0.840902E+00
  97    0.123319E-04    0.432081E+02 -0.285408E-06 0.100000E-04    0.407238E+00
  98   -0.432843E-04    0.408642E+02  0.105922E-05 0.100000E-04    0.960168E+00
  99   -0.627077E-04    0.379058E+02  0.165430E-05 0.100000E-04    0.932756E+00
 100   -0.494027E-04    0.363771E+02  0.135807E-05 0.100000E-04    0.971906E+00
 101    0.100314E-03    0.324865E+02 -0.308788E-05 0.100000E-04    0.886207E+00
 102   -0.921462E-04    0.288267E+02  0.319655E-05 0.100000E-04    0.969465E+00
 103   -0.654974E-04    0.284514E+02  0.230208E-05 0.100000E-04    0.983646E+00
 104    0.133701E-03    0.262978E+02 -0.508412E-05 0.100000E-04    0.958729E+00
 105    0.224840E-04    0.233014E+02 -0.964924E-06 0.100000E-04    0.835638E+00
 106   -0.491246E-05    0.212843E+02  0.230802E-06 0.100000E-04    0.646832E+00
 107    0.319231E-03    0.199410E+02 -0.100000E-04 0.100000E-04    0.703157E+00
 108    0.311970E-03    0.165363E+02 -0.100000E-04 0.100000E-04    0.623970E+00
 109   -0.102082E-03    0.138876E+02  0.735056E-05 0.100000E-04    0.993898E+00
 110    0.144260E-01    0.122383E+02 -0.109000E-04 0.109000E-04    0.112516E+00
 111   -0.912544E-04    0.100910E+02  0.904312E-05 0.100000E-04    0.995331E+00
 112    0.301476E-01    0.869025E+01 -0.468425E-04 0.468425E-04    0.584789E-01
 113    0.665537E-01    0.578746E+01 -0.249821E-03 0.249821E-03    0.214196E+00
 114    0.902220E+00    0.328071E+01  0.400000E-03 0.400000E-03    0.177246E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2568630878    

 Beginning of optimization cycle  500.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3035133508
 potential> RMS force:                                               0.0848990111   |gradient|=.9064733849    
 Eigenvalues of the Hessian matrix:
   745.19639    674.48310    629.92409    601.27943    586.64604    578.51526 
   565.91991    487.33824    461.03942    460.04401    441.80076    428.94397 
   422.04311    408.34499    396.50624    387.82404    369.81164    360.52552 
   349.47492    335.14048    328.93491    321.91051    318.94366    309.78343 
   301.04803    290.41794    278.56332    272.48966    268.32041    264.83663 
   263.37858    253.33910    241.48678    240.54274    233.79112    227.45189 
   217.00616    214.86783    213.28908    207.50391    203.13429    195.72914 
   194.75330    191.30552    182.84656    174.14102    172.30199    168.09851 
   163.41916    157.02100    154.78308    152.25258    146.89832    143.47209 
   137.91421    135.88218    130.38807    128.75852    126.82426    124.42043 
   119.97156    118.16364    116.99216    110.33280    106.94318    104.39964 
   102.86302     99.58495     96.09901     94.17860     92.20325     91.12439 
    88.59744     85.51197     80.82212     80.32306     78.01899     73.33105 
    72.71195     68.03501     64.92088     61.57133     59.91711     59.39804 
    58.25688     55.93401     52.50016     52.14477     50.10053     46.37139 
    43.21551     40.86724     37.90524     36.37107     32.47242     28.82895 
    28.45087     26.29434     23.30272     21.28775     19.93308     16.53219 
    13.88842     12.23824     10.09130      8.70228      5.78152      3.27443 
overlap for current and previous eigenvector    109 is         0.9999988868
overlap for current and previous eigenvector    110 is         0.9999997302
overlap for current and previous eigenvector    111 is         0.9999984342
overlap for current and previous eigenvector    112 is         0.9999961868
overlap for current and previous eigenvector    113 is         0.9999923310
overlap for current and previous eigenvector    114 is         0.9999950749
J1,K1,R1,R2,RAT=   7   7    0.3318896500E-02     1.996428063        0.9964280630    
FOB,PFOB,DIAG,PSTEP=   -0.1006023575E-04   -0.1009374007E-04     745.1963859        0.1354678778E-07
J1,K1,R1,R2,RAT=   8   8    0.1994557752E-01     1.980088251        0.9800544225    
FOB,PFOB,DIAG,PSTEP=   -0.1146305162E-04   -0.1169633789E-04     674.4831037        0.1734089408E-07
J1,K1,R1,R2,RAT=   9   9    0.5096010753E-01     1.948912450        0.9489124504    
FOB,PFOB,DIAG,PSTEP=   -0.1158158590E-04   -0.1220351813E-04     629.9240920        0.1937423247E-07
J1,K1,R1,R2,RAT=  10  10   -0.1794224990         2.179530195        0.8205775010    
FOB,PFOB,DIAG,PSTEP=    0.2276784284E-05    0.1930438784E-05     601.2794267       -0.3210378990E-08
J1,K1,R1,R2,RAT=  11  11   -0.1107236473         2.110767437        0.8892763527    
FOB,PFOB,DIAG,PSTEP=   -0.2237607836E-05   -0.2014553958E-05     586.6460385        0.3433944352E-08
J1,K1,R1,R2,RAT= 109 109    0.2642473111E-01     1.973457961        0.9734579614    
FOB,PFOB,DIAG,PSTEP=   -0.9938410536E-04   -0.1020817463E-03     13.88842035        0.7350564823E-05
J1,K1,R1,R2,RAT= 110 110    0.7546938055         215.5324355        0.2453061945    
FOB,PFOB,DIAG,PSTEP=    0.1432533359E-01    0.1442600734E-01     12.23824012       -0.1090000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1691018216E-01     1.983036064        0.9830360636    
FOB,PFOB,DIAG,PSTEP=   -0.8971118164E-04   -0.9125435081E-04     10.09130033        0.9043116399E-05
J1,K1,R1,R2,RAT= 112 112   -0.7835661331         148.6977711        0.2164338669    
FOB,PFOB,DIAG,PSTEP=    0.3046698764E-01    0.3014757787E-01     8.702277221       -0.4684245235E-04
J1,K1,R1,R2,RAT= 113 113   -0.8402289175         92.99775903        0.1597710825    
FOB,PFOB,DIAG,PSTEP=    0.6776726174E-01    0.6655368045E-01     5.781521690       -0.2498210830E-03
J1,K1,R1,R2,RAT= 114 114    0.8318540178        -1378.504958        0.1681459822    
FOB,PFOB,DIAG,PSTEP=    0.9033093302        0.9022197900         3.274433490        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00002      0.00004     -0.00003     -0.00001 
     0.00004      0.00001     -0.00001     -0.00000     -0.00001      0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001      0.00002 
     0.00002      0.00002      0.00001      0.00004      0.00000      0.00000 
    -0.00004     -0.00000     -0.00001     -0.00004     -0.00001      0.00008 
     0.00002     -0.00001     -0.00006     -0.00001      0.00006      0.00002 
    -0.00001      0.00002     -0.00004     -0.00003      0.00001     -0.00004 
     0.00001      0.00001     -0.00003      0.00003      0.00004     -0.00005 
    -0.00003     -0.00008      0.00006     -0.00005     -0.00002      0.00001 
     0.00001      0.00005      0.00007      0.00005      0.00009     -0.00010 
    -0.00006      0.00014      0.00003     -0.00000      0.00036      0.00036 
    -0.00010      0.01433     -0.00009      0.03047      0.06777      0.90331 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3871473455
 Log product of positive Hessian eigenvalues =          519.0989949484
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2744334895
 Unscaled step for mode    7=        0.0000000135
 Unscaled step for mode    8=        0.0000000170
 Unscaled step for mode    9=        0.0000000184
 Unscaled step for mode   10=       -0.0000000038
 Unscaled step for mode   11=        0.0000000038
 Unscaled step for mode   12=        0.0000000338
 Unscaled step for mode   13=        0.0000000063
 Unscaled step for mode   14=       -0.0000000217
 Unscaled step for mode   15=        0.0000000012
 Unscaled step for mode   16=       -0.0000000057
 Unscaled step for mode   17=        0.0000000111
 Unscaled step for mode   18=        0.0000000003
 Unscaled step for mode   19=        0.0000000439
 Unscaled step for mode   20=        0.0000000030
 Unscaled step for mode   21=        0.0000000046
 Unscaled step for mode   22=        0.0000000428
 Unscaled step for mode   23=       -0.0000000292
 Unscaled step for mode   24=        0.0000000305
 Unscaled step for mode   25=        0.0000000641
 Unscaled step for mode   26=        0.0000000889
 Unscaled step for mode   27=        0.0000000338
 Unscaled step for mode   28=       -0.0000000118
 Unscaled step for mode   29=        0.0000000889
 Unscaled step for mode   30=        0.0000001036
 Unscaled step for mode   31=        0.0000001121
 Unscaled step for mode   32=        0.0000000805
 Unscaled step for mode   33=       -0.0000000394
 Unscaled step for mode   34=        0.0000000667
 Unscaled step for mode   35=       -0.0000001133
 Unscaled step for mode   36=       -0.0000001444
 Unscaled step for mode   37=       -0.0000000391
 Unscaled step for mode   38=       -0.0000000290
 Unscaled step for mode   39=        0.0000000846
 Unscaled step for mode   40=        0.0000001785
 Unscaled step for mode   41=        0.0000002157
 Unscaled step for mode   42=        0.0000001616
 Unscaled step for mode   43=        0.0000000625
 Unscaled step for mode   44=        0.0000002787
 Unscaled step for mode   45=       -0.0000000924
 Unscaled step for mode   46=       -0.0000002021
 Unscaled step for mode   47=        0.0000001347
 Unscaled step for mode   48=        0.0000000330
 Unscaled step for mode   49=       -0.0000001872
 Unscaled step for mode   50=       -0.0000000650
 Unscaled step for mode   51=        0.0000000738
 Unscaled step for mode   52=        0.0000000218
 Unscaled step for mode   53=        0.0000000785
 Unscaled step for mode   54=       -0.0000001559
 Unscaled step for mode   55=       -0.0000001767
 Unscaled step for mode   56=       -0.0000001130
 Unscaled step for mode   57=        0.0000000830
 Unscaled step for mode   58=        0.0000002077
 Unscaled step for mode   59=        0.0000000799
 Unscaled step for mode   60=       -0.0000001388
 Unscaled step for mode   61=       -0.0000001414
 Unscaled step for mode   62=       -0.0000001751
 Unscaled step for mode   63=       -0.0000001094
 Unscaled step for mode   64=       -0.0000002952
 Unscaled step for mode   65=       -0.0000000321
 Unscaled step for mode   66=       -0.0000000266
 Unscaled step for mode   67=        0.0000002992
 Unscaled step for mode   68=        0.0000000198
 Unscaled step for mode   69=        0.0000000655
 Unscaled step for mode   70=        0.0000003985
 Unscaled step for mode   71=        0.0000000784
 Unscaled step for mode   72=       -0.0000007731
 Unscaled step for mode   73=       -0.0000001613
 Unscaled step for mode   74=        0.0000001311
 Unscaled step for mode   75=        0.0000006480
 Unscaled step for mode   76=        0.0000000595
 Unscaled step for mode   77=       -0.0000006697
 Unscaled step for mode   78=       -0.0000001714
 Unscaled step for mode   79=        0.0000000811
 Unscaled step for mode   80=       -0.0000002239
 Unscaled step for mode   81=        0.0000004835
 Unscaled step for mode   82=        0.0000003881
 Unscaled step for mode   83=       -0.0000001357
 Unscaled step for mode   84=        0.0000005775
 Unscaled step for mode   85=       -0.0000002032
 Unscaled step for mode   86=       -0.0000002127
 Unscaled step for mode   87=        0.0000005235
 Unscaled step for mode   88=       -0.0000004670
 Unscaled step for mode   89=       -0.0000006498
 Unscaled step for mode   90=        0.0000008038
 Unscaled step for mode   91=        0.0000004468
 Unscaled step for mode   92=        0.0000014136
 Unscaled step for mode   93=       -0.0000011660
 Unscaled step for mode   94=        0.0000009352
 Unscaled step for mode   95=        0.0000004458
 Unscaled step for mode   96=       -0.0000001629
 Unscaled step for mode   97=       -0.0000001627
 Unscaled step for mode   98=       -0.0000011212
 Unscaled step for mode   99=       -0.0000017616
 Unscaled step for mode  100=       -0.0000013918
 Unscaled step for mode  101=       -0.0000028475
 Unscaled step for mode  102=        0.0000033059
 Unscaled step for mode  103=        0.0000022563
 Unscaled step for mode  104=       -0.0000052242
 Unscaled step for mode  105=       -0.0000011507
 Unscaled step for mode  106=        0.0000000317
 Unscaled step for mode  107=       -0.0000179443
 Unscaled step for mode  108=       -0.0000215666
 Unscaled step for mode  109=        0.0000071559
 Unscaled step for mode  110=       -0.0011705371
 Unscaled step for mode  111=        0.0000088900
 Unscaled step for mode  112=       -0.0035009933
 Unscaled step for mode  113=       -0.0117197439
 Unscaled step for mode  114=        0.2575662226
 Largest modulus ratio of non-zero e/values=           227.5802481    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.367002E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.146329E-14    0.100667E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.430157E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.512846E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.285579E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.126646E-14    0.974213E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.100602E-04    0.745196E+03  0.135001E-07 0.100000E-04    0.996428E+00
   8   -0.114631E-04    0.674483E+03  0.169953E-07 0.100000E-04    0.980054E+00
   9   -0.115816E-04    0.629924E+03  0.183857E-07 0.100000E-04    0.948912E+00
  10    0.227678E-05    0.601279E+03 -0.378657E-08 0.100000E-04    0.820578E+00
  11   -0.223761E-05    0.586646E+03  0.381424E-08 0.100000E-04    0.889276E+00
  12   -0.195347E-04    0.578515E+03  0.337670E-07 0.100000E-04    0.959389E+00
  13   -0.357747E-05    0.565920E+03  0.632151E-08 0.100000E-04    0.960908E+00
  14    0.105588E-04    0.487338E+03 -0.216664E-07 0.100000E-04    0.961113E+00
  15   -0.530374E-06    0.461039E+03  0.115039E-08 0.100000E-04    0.632435E+00
  16    0.261026E-05    0.460044E+03 -0.567394E-08 0.100000E-04    0.791426E+00
  17   -0.491613E-05    0.441801E+03  0.111275E-07 0.100000E-04    0.850750E+00
  18   -0.122888E-06    0.428944E+03  0.286489E-09 0.100000E-04    0.299181E+00
  19   -0.185304E-04    0.422043E+03  0.439064E-07 0.100000E-04    0.981790E+00
  20   -0.122218E-05    0.408345E+03  0.299300E-08 0.100000E-04    0.807292E+00
  21   -0.184285E-05    0.396506E+03  0.464772E-08 0.100000E-04    0.829938E+00
  22   -0.165959E-04    0.387824E+03  0.427925E-07 0.100000E-04    0.992362E+00
  23    0.107940E-04    0.369812E+03 -0.291878E-07 0.100000E-04    0.928319E+00
  24   -0.109945E-04    0.360526E+03  0.304957E-07 0.100000E-04    0.983442E+00
  25   -0.224076E-04    0.349475E+03  0.641178E-07 0.100000E-04    0.988647E+00
  26   -0.297919E-04    0.335140E+03  0.888937E-07 0.100000E-04    0.986487E+00
  27   -0.111147E-04    0.328935E+03  0.337900E-07 0.100000E-04    0.958989E+00
  28    0.379215E-05    0.321911E+03 -0.117801E-07 0.100000E-04    0.815153E+00
  29   -0.283675E-04    0.318944E+03  0.889420E-07 0.100000E-04    0.969094E+00
  30   -0.320978E-04    0.309783E+03  0.103614E-06 0.100000E-04    0.970570E+00
  31   -0.337382E-04    0.301048E+03  0.112069E-06 0.100000E-04    0.974145E+00
  32   -0.233650E-04    0.290418E+03  0.804530E-07 0.100000E-04    0.978680E+00
  33    0.109631E-04    0.278563E+03 -0.393557E-07 0.100000E-04    0.941194E+00
  34   -0.181755E-04    0.272490E+03  0.667015E-07 0.100000E-04    0.968164E+00
  35    0.304058E-04    0.268320E+03 -0.113319E-06 0.100000E-04    0.979318E+00
  36    0.382515E-04    0.264837E+03 -0.144434E-06 0.100000E-04    0.991469E+00
  37    0.102890E-04    0.263379E+03 -0.390654E-07 0.100000E-04    0.972782E+00
  38    0.735095E-05    0.253339E+03 -0.290163E-07 0.100000E-04    0.994853E+00
  39   -0.204186E-04    0.241487E+03  0.845538E-07 0.100000E-04    0.969412E+00
  40   -0.429378E-04    0.240543E+03  0.178504E-06 0.100000E-04    0.995002E+00
  41   -0.504186E-04    0.233791E+03  0.215657E-06 0.100000E-04    0.994047E+00
  42   -0.367588E-04    0.227452E+03  0.161611E-06 0.100000E-04    0.971720E+00
  43   -0.135642E-04    0.217006E+03  0.625059E-07 0.100000E-04    0.948653E+00
  44   -0.598931E-04    0.214868E+03  0.278744E-06 0.100000E-04    0.981246E+00
  45    0.197148E-04    0.213289E+03 -0.924322E-07 0.100000E-04    0.982241E+00
  46    0.419371E-04    0.207504E+03 -0.202103E-06 0.100000E-04    0.993398E+00
  47   -0.273667E-04    0.203134E+03  0.134722E-06 0.100000E-04    0.978969E+00
  48   -0.645444E-05    0.195729E+03  0.329764E-07 0.100000E-04    0.859339E+00
  49    0.364485E-04    0.194753E+03 -0.187152E-06 0.100000E-04    0.981612E+00
  50    0.124366E-04    0.191306E+03 -0.650090E-07 0.100000E-04    0.849213E+00
  51   -0.134968E-04    0.182847E+03  0.738150E-07 0.100000E-04    0.992047E+00
  52   -0.378845E-05    0.174141E+03  0.217551E-07 0.100000E-04    0.858177E+00
  53   -0.135200E-04    0.172302E+03  0.784666E-07 0.100000E-04    0.977483E+00
  54    0.262032E-04    0.168099E+03 -0.155880E-06 0.100000E-04    0.998901E+00
  55    0.288762E-04    0.163419E+03 -0.176700E-06 0.100000E-04    0.994823E+00
  56    0.177489E-04    0.157021E+03 -0.113035E-06 0.100000E-04    0.976183E+00
  57   -0.128525E-04    0.154783E+03  0.830355E-07 0.100000E-04    0.946398E+00
  58   -0.316304E-04    0.152253E+03  0.207750E-06 0.100000E-04    0.996746E+00
  59   -0.117427E-04    0.146898E+03  0.799375E-07 0.100000E-04    0.996176E+00
  60    0.199102E-04    0.143472E+03 -0.138774E-06 0.100000E-04    0.975297E+00
  61    0.195031E-04    0.137914E+03 -0.141415E-06 0.100000E-04    0.883878E+00
  62    0.237961E-04    0.135882E+03 -0.175123E-06 0.100000E-04    0.977392E+00
  63    0.142708E-04    0.130388E+03 -0.109448E-06 0.100000E-04    0.874260E+00
  64    0.380095E-04    0.128759E+03 -0.295200E-06 0.100000E-04    0.978200E+00
  65    0.406722E-05    0.126824E+03 -0.320698E-07 0.100000E-04    0.246690E+00
  66    0.330848E-05    0.124420E+03 -0.265911E-07 0.100000E-04    0.831357E+00
  67   -0.358900E-04    0.119972E+03  0.299154E-06 0.100000E-04    0.971012E+00
  68   -0.234206E-05    0.118164E+03  0.198205E-07 0.100000E-04    0.871863E+00
  69   -0.766150E-05    0.116992E+03  0.654873E-07 0.100000E-04    0.922227E+00
  70   -0.439696E-04    0.110333E+03  0.398518E-06 0.100000E-04    0.972216E+00
  71   -0.838418E-05    0.106943E+03  0.783984E-07 0.100000E-04    0.918744E+00
  72    0.807157E-04    0.104400E+03 -0.773142E-06 0.100000E-04    0.983874E+00
  73    0.165877E-04    0.102863E+03 -0.161260E-06 0.100000E-04    0.985023E+00
  74   -0.130563E-04    0.995850E+02  0.131107E-06 0.100000E-04    0.962141E+00
  75   -0.622768E-04    0.960990E+02  0.648048E-06 0.100000E-04    0.986454E+00
  76   -0.560171E-05    0.941786E+02  0.594797E-07 0.100000E-04    0.935685E+00
  77    0.617452E-04    0.922032E+02 -0.669664E-06 0.100000E-04    0.987432E+00
  78    0.156195E-04    0.911244E+02 -0.171408E-06 0.100000E-04    0.988386E+00
  79   -0.718573E-05    0.885974E+02  0.811053E-07 0.100000E-04    0.988426E+00
  80    0.191436E-04    0.855120E+02 -0.223871E-06 0.100000E-04    0.966465E+00
  81   -0.390804E-04    0.808221E+02  0.483536E-06 0.100000E-04    0.992885E+00
  82   -0.311726E-04    0.803231E+02  0.388091E-06 0.100000E-04    0.958608E+00
  83    0.105885E-04    0.780190E+02 -0.135717E-06 0.100000E-04    0.927110E+00
  84   -0.423509E-04    0.733311E+02  0.577531E-06 0.100000E-04    0.934496E+00
  85    0.147743E-04    0.727119E+02 -0.203189E-06 0.100000E-04    0.860481E+00
  86    0.144728E-04    0.680350E+02 -0.212725E-06 0.100000E-04    0.904290E+00
  87   -0.339870E-04    0.649209E+02  0.523514E-06 0.100000E-04    0.933629E+00
  88    0.287518E-04    0.615713E+02 -0.466968E-06 0.100000E-04    0.997984E+00
  89    0.389327E-04    0.599171E+02 -0.649776E-06 0.100000E-04    0.960150E+00
  90   -0.477420E-04    0.593980E+02  0.803764E-06 0.100000E-04    0.982678E+00
  91   -0.260312E-04    0.582569E+02  0.446835E-06 0.100000E-04    0.847971E+00
  92   -0.790707E-04    0.559340E+02  0.141364E-05 0.100000E-04    0.966969E+00
  93    0.612133E-04    0.525002E+02 -0.116596E-05 0.100000E-04    0.991582E+00
  94   -0.487672E-04    0.521448E+02  0.935227E-06 0.100000E-04    0.984267E+00
  95   -0.223346E-04    0.501005E+02  0.445796E-06 0.100000E-04    0.899005E+00
  96    0.755558E-05    0.463714E+02 -0.162936E-06 0.100000E-04    0.742056E+00
  97    0.703098E-05    0.432155E+02 -0.162696E-06 0.100000E-04    0.569874E+00
  98    0.458199E-04    0.408672E+02 -0.112119E-05 0.100000E-04    0.941425E+00
  99    0.667753E-04    0.379052E+02 -0.176164E-05 0.100000E-04    0.935134E+00
 100    0.506208E-04    0.363711E+02 -0.139179E-05 0.100000E-04    0.975339E+00
 101    0.924657E-04    0.324724E+02 -0.284752E-05 0.100000E-04    0.921726E+00
 102   -0.953064E-04    0.288289E+02  0.330593E-05 0.100000E-04    0.965707E+00
 103   -0.641936E-04    0.284509E+02  0.225630E-05 0.100000E-04    0.980095E+00
 104    0.137368E-03    0.262943E+02 -0.522423E-05 0.100000E-04    0.972574E+00
 105    0.268143E-04    0.233027E+02 -0.115069E-05 0.100000E-04    0.807420E+00
 106   -0.674388E-06    0.212878E+02  0.316796E-07 0.109000E-04    0.137095E+00
 107    0.357685E-03    0.199331E+02 -0.100000E-04 0.100000E-04    0.807084E+00
 108    0.356544E-03    0.165322E+02 -0.100000E-04 0.100000E-04    0.730382E+00
 109   -0.993841E-04    0.138884E+02  0.715590E-05 0.100000E-04    0.973458E+00
 110    0.143253E-01    0.122382E+02 -0.100000E-04 0.100000E-04    0.245306E+00
 111   -0.897112E-04    0.100913E+02  0.888995E-05 0.100000E-04    0.983036E+00
 112    0.304670E-01    0.870228E+01 -0.422004E-04 0.422004E-04    0.216434E+00
 113    0.677673E-01    0.578152E+01 -0.272305E-03 0.272305E-03    0.159771E+00
 114    0.903309E+00    0.327443E+01  0.400000E-03 0.400000E-03    0.168146E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2575662226    

 Beginning of optimization cycle  501.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3031714326
 potential> RMS force:                                               0.0850088060   |gradient|=.9076456740    
 Eigenvalues of the Hessian matrix:
   745.29243    674.46934    629.96557    601.24742    586.63238    578.55290 
   565.87636    487.35452    461.01313    460.02875    441.79737    428.95756 
   422.04016    408.33067    396.49826    387.80790    369.82714    360.52382 
   349.46717    335.15004    328.95944    321.91054    318.94343    309.76727 
   301.02947    290.43033    278.57943    272.50614    268.33430    264.84207 
   263.41062    253.32983    241.48539    240.56115    233.79810    227.45138 
   217.00288    214.87035    213.28874    207.51285    203.12573    195.71198 
   194.75602    191.30722    182.84692    174.14922    172.30094    168.10626 
   163.40615    157.00867    154.79007    152.25558    146.88320    143.46759 
   137.92397    135.88101    130.38365    128.76282    126.82909    124.40298 
   119.97281    118.16383    116.98548    110.33261    106.93727    104.39969 
   102.86013     99.58210     96.10187     94.17612     92.18486     91.12959 
    88.58646     85.51689     80.82163     80.33209     78.01475     73.33172 
    72.70683     68.02897     64.91112     61.55547     59.91297     59.39818 
    58.24695     55.92974     52.49791     52.13886     50.10509     46.35976 
    43.22332     40.87018     37.90426     36.36384     32.45820     28.83120 
    28.45039     26.29104     23.30414     21.29093     19.92527     16.52791 
    13.88921     12.23812     10.09158      8.71514      5.77570      3.26810 
overlap for current and previous eigenvector    109 is         0.9999987358
overlap for current and previous eigenvector    110 is         0.9999996830
overlap for current and previous eigenvector    111 is         0.9999981178
overlap for current and previous eigenvector    112 is         0.9999956157
overlap for current and previous eigenvector    113 is         0.9999913843
overlap for current and previous eigenvector    114 is         0.9999943912
J1,K1,R1,R2,RAT=   7   7   -0.4999284424E-02     2.004741556        0.9950007156    
FOB,PFOB,DIAG,PSTEP=   -0.1011053622E-04   -0.1006023575E-04     745.2924274        0.1350011345E-07
J1,K1,R1,R2,RAT=   8   8   -0.1843505027E-01     2.018475856        0.9815649497    
FOB,PFOB,DIAG,PSTEP=   -0.1167436924E-04   -0.1146305162E-04     674.4693424        0.1699531324E-07
J1,K1,R1,R2,RAT=   9   9   -0.5408687593E-01     2.053955189        0.9459131241    
FOB,PFOB,DIAG,PSTEP=   -0.1220803895E-04   -0.1158158590E-04     629.9655711        0.1838568495E-07
J1,K1,R1,R2,RAT=  10  10    0.1609765876         1.839129868        0.8390234124    
FOB,PFOB,DIAG,PSTEP=    0.1910294827E-05    0.2276784284E-05     601.2474237       -0.3786566084E-08
J1,K1,R1,R2,RAT=  11  11    0.2275776904E-01     1.977288808        0.9772422310    
FOB,PFOB,DIAG,PSTEP=   -0.2186686060E-05   -0.2237607836E-05     586.6323766        0.3814238381E-08
J1,K1,R1,R2,RAT= 109 109   -0.4598291570E-02     2.004484195        0.9954017084    
FOB,PFOB,DIAG,PSTEP=   -0.9984112852E-04   -0.9938410536E-04     13.88921271        0.7155896986E-05
J1,K1,R1,R2,RAT= 110 110    0.8755917583         233.2344382        0.1244082417    
FOB,PFOB,DIAG,PSTEP=    0.1421817762E-01    0.1432533359E-01     12.23812033       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1031336726E-01     1.989632178        0.9896321777    
FOB,PFOB,DIAG,PSTEP=   -0.8878593209E-04   -0.8971118164E-04     10.09157510        0.8889952600E-05
J1,K1,R1,R2,RAT= 112 112    -1.048219978         166.7276771        0.4821997812E-01
FOB,PFOB,DIAG,PSTEP=    0.3085250442E-01    0.3046698764E-01     8.715136716       -0.4220040752E-04
J1,K1,R1,R2,RAT= 113 113   -0.8107836835         86.98739409        0.1892163165    
FOB,PFOB,DIAG,PSTEP=    0.6904242422E-01    0.6776726174E-01     5.775704169       -0.2723049804E-03
J1,K1,R1,R2,RAT= 114 114    0.8173825541        -1382.829110        0.1826174459    
FOB,PFOB,DIAG,PSTEP=    0.9043778440        0.9033093302         3.268095748        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00003     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00002      0.00004     -0.00003     -0.00001 
     0.00004      0.00001     -0.00001     -0.00000     -0.00001      0.00003 
     0.00003      0.00002     -0.00001     -0.00003     -0.00001      0.00002 
     0.00002      0.00002      0.00002      0.00004      0.00000      0.00000 
    -0.00004     -0.00000     -0.00001      0.00005      0.00001     -0.00008 
    -0.00002      0.00001      0.00006      0.00001     -0.00006      0.00002 
    -0.00001     -0.00002      0.00004     -0.00003     -0.00001     -0.00004 
    -0.00002      0.00001     -0.00003      0.00003      0.00004      0.00005 
    -0.00002     -0.00008      0.00006     -0.00005     -0.00003      0.00001 
     0.00001      0.00004      0.00006      0.00005      0.00010     -0.00009 
    -0.00007      0.00013      0.00002     -0.00000      0.00042      0.00042 
    -0.00010      0.01422     -0.00009      0.03085      0.06904      0.90438 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3869067525
 Log product of positive Hessian eigenvalues =          519.0953089971
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2680957476
 Unscaled step for mode    7=        0.0000000136
 Unscaled step for mode    8=        0.0000000173
 Unscaled step for mode    9=        0.0000000194
 Unscaled step for mode   10=       -0.0000000032
 Unscaled step for mode   11=        0.0000000037
 Unscaled step for mode   12=        0.0000000350
 Unscaled step for mode   13=        0.0000000066
 Unscaled step for mode   14=       -0.0000000225
 Unscaled step for mode   15=        0.0000000017
 Unscaled step for mode   16=       -0.0000000046
 Unscaled step for mode   17=        0.0000000132
 Unscaled step for mode   18=        0.0000000008
 Unscaled step for mode   19=        0.0000000431
 Unscaled step for mode   20=        0.0000000035
 Unscaled step for mode   21=        0.0000000057
 Unscaled step for mode   22=        0.0000000430
 Unscaled step for mode   23=       -0.0000000312
 Unscaled step for mode   24=        0.0000000309
 Unscaled step for mode   25=        0.0000000635
 Unscaled step for mode   26=        0.0000000871
 Unscaled step for mode   27=        0.0000000323
 Unscaled step for mode   28=       -0.0000000096
 Unscaled step for mode   29=        0.0000000860
 Unscaled step for mode   30=        0.0000001063
 Unscaled step for mode   31=        0.0000001151
 Unscaled step for mode   32=        0.0000000823
 Unscaled step for mode   33=       -0.0000000366
 Unscaled step for mode   34=        0.0000000643
 Unscaled step for mode   35=       -0.0000001147
 Unscaled step for mode   36=       -0.0000001462
 Unscaled step for mode   37=       -0.0000000356
 Unscaled step for mode   38=       -0.0000000292
 Unscaled step for mode   39=        0.0000000841
 Unscaled step for mode   40=        0.0000001785
 Unscaled step for mode   41=        0.0000002155
 Unscaled step for mode   42=        0.0000001657
 Unscaled step for mode   43=        0.0000000618
 Unscaled step for mode   44=        0.0000002828
 Unscaled step for mode   45=       -0.0000000944
 Unscaled step for mode   46=       -0.0000002032
 Unscaled step for mode   47=        0.0000001361
 Unscaled step for mode   48=        0.0000000394
 Unscaled step for mode   49=       -0.0000001901
 Unscaled step for mode   50=       -0.0000000757
 Unscaled step for mode   51=        0.0000000723
 Unscaled step for mode   52=        0.0000000188
 Unscaled step for mode   53=        0.0000000777
 Unscaled step for mode   54=       -0.0000001560
 Unscaled step for mode   55=       -0.0000001771
 Unscaled step for mode   56=       -0.0000001150
 Unscaled step for mode   57=        0.0000000796
 Unscaled step for mode   58=        0.0000002085
 Unscaled step for mode   59=        0.0000000794
 Unscaled step for mode   60=       -0.0000001352
 Unscaled step for mode   61=       -0.0000001272
 Unscaled step for mode   62=       -0.0000001774
 Unscaled step for mode   63=       -0.0000001288
 Unscaled step for mode   64=       -0.0000002866
 Unscaled step for mode   65=       -0.0000000182
 Unscaled step for mode   66=       -0.0000000350
 Unscaled step for mode   67=        0.0000003083
 Unscaled step for mode   68=        0.0000000165
 Unscaled step for mode   69=        0.0000000620
 Unscaled step for mode   70=       -0.0000004095
 Unscaled step for mode   71=       -0.0000000820
 Unscaled step for mode   72=        0.0000007592
 Unscaled step for mode   73=        0.0000001542
 Unscaled step for mode   74=       -0.0000001252
 Unscaled step for mode   75=       -0.0000006309
 Unscaled step for mode   76=       -0.0000000689
 Unscaled step for mode   77=        0.0000006671
 Unscaled step for mode   78=       -0.0000001755
 Unscaled step for mode   79=        0.0000000831
 Unscaled step for mode   80=        0.0000002317
 Unscaled step for mode   81=       -0.0000004895
 Unscaled step for mode   82=        0.0000003997
 Unscaled step for mode   83=        0.0000001492
 Unscaled step for mode   84=        0.0000005426
 Unscaled step for mode   85=        0.0000002407
 Unscaled step for mode   86=       -0.0000001972
 Unscaled step for mode   87=        0.0000004949
 Unscaled step for mode   88=       -0.0000004500
 Unscaled step for mode   89=       -0.0000006818
 Unscaled step for mode   90=       -0.0000008198
 Unscaled step for mode   91=        0.0000003985
 Unscaled step for mode   92=        0.0000014637
 Unscaled step for mode   93=       -0.0000011942
 Unscaled step for mode   94=        0.0000009184
 Unscaled step for mode   95=        0.0000005034
 Unscaled step for mode   96=       -0.0000001432
 Unscaled step for mode   97=       -0.0000002756
 Unscaled step for mode   98=       -0.0000010648
 Unscaled step for mode   99=       -0.0000016451
 Unscaled step for mode  100=       -0.0000013497
 Unscaled step for mode  101=       -0.0000031346
 Unscaled step for mode  102=        0.0000031993
 Unscaled step for mode  103=        0.0000022850
 Unscaled step for mode  104=       -0.0000050173
 Unscaled step for mode  105=       -0.0000009706
 Unscaled step for mode  106=        0.0000001022
 Unscaled step for mode  107=       -0.0000210408
 Unscaled step for mode  108=       -0.0000254959
 Unscaled step for mode  109=        0.0000071884
 Unscaled step for mode  110=       -0.0011617927
 Unscaled step for mode  111=        0.0000087980
 Unscaled step for mode  112=       -0.0035400612
 Unscaled step for mode  113=       -0.0119522328
 Unscaled step for mode  114=        0.2582704510
 Largest modulus ratio of non-zero e/values=           228.0509767    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.105070E-14    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.225894E-14    0.100667E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.617146E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.112757E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.186158E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.129505E-14    0.974217E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.101105E-04    0.745292E+03  0.135659E-07 0.100000E-04    0.995001E+00
   8   -0.116744E-04    0.674469E+03  0.173090E-07 0.100000E-04    0.981565E+00
   9   -0.122080E-04    0.629966E+03  0.193789E-07 0.100000E-04    0.945913E+00
  10    0.191029E-05    0.601247E+03 -0.317722E-08 0.100000E-04    0.839023E+00
  11   -0.218669E-05    0.586632E+03  0.372752E-08 0.100000E-04    0.977242E+00
  12   -0.202761E-04    0.578553E+03  0.350462E-07 0.100000E-04    0.962053E+00
  13   -0.374628E-05    0.565876E+03  0.662031E-08 0.100000E-04    0.952811E+00
  14    0.109897E-04    0.487355E+03 -0.225497E-07 0.100000E-04    0.959195E+00
  15   -0.794787E-06    0.461013E+03  0.172400E-08 0.100000E-04    0.501430E+00
  16    0.212302E-05    0.460029E+03 -0.461498E-08 0.100000E-04    0.813331E+00
  17   -0.582854E-05    0.441797E+03  0.131928E-07 0.100000E-04    0.814403E+00
  18   -0.350761E-06    0.428958E+03  0.817706E-09 0.100000E-04    0.854262E+00
  19   -0.182061E-04    0.422040E+03  0.431384E-07 0.100000E-04    0.982502E+00
  20   -0.144033E-05    0.408331E+03  0.352737E-08 0.100000E-04    0.821497E+00
  21   -0.224106E-05    0.396498E+03  0.565213E-08 0.100000E-04    0.783912E+00
  22   -0.166641E-04    0.387808E+03  0.429699E-07 0.100000E-04    0.995896E+00
  23    0.115382E-04    0.369827E+03 -0.311988E-07 0.100000E-04    0.931061E+00
  24   -0.111365E-04    0.360524E+03  0.308898E-07 0.100000E-04    0.987079E+00
  25   -0.221873E-04    0.349467E+03  0.634889E-07 0.100000E-04    0.990169E+00
  26   -0.291930E-04    0.335150E+03  0.871042E-07 0.100000E-04    0.979841E+00
  27   -0.106414E-04    0.328959E+03  0.323488E-07 0.100000E-04    0.957273E+00
  28    0.309041E-05    0.321911E+03 -0.960021E-08 0.100000E-04    0.814949E+00
  29   -0.274417E-04    0.318943E+03  0.860394E-07 0.100000E-04    0.967365E+00
  30   -0.329265E-04    0.309767E+03  0.106294E-06 0.100000E-04    0.974179E+00
  31   -0.346606E-04    0.301029E+03  0.115140E-06 0.100000E-04    0.972659E+00
  32   -0.239044E-04    0.290430E+03  0.823067E-07 0.100000E-04    0.976917E+00
  33    0.101994E-04    0.278579E+03 -0.366123E-07 0.100000E-04    0.930235E+00
  34   -0.175266E-04    0.272506E+03  0.643162E-07 0.100000E-04    0.964179E+00
  35    0.307663E-04    0.268334E+03 -0.114657E-06 0.100000E-04    0.988141E+00
  36    0.387121E-04    0.264842E+03 -0.146170E-06 0.100000E-04    0.987959E+00
  37    0.937716E-05    0.263411E+03 -0.355990E-07 0.100000E-04    0.911145E+00
  38    0.739596E-05    0.253330E+03 -0.291950E-07 0.100000E-04    0.993877E+00
  39   -0.203188E-04    0.241485E+03  0.841408E-07 0.100000E-04    0.995110E+00
  40   -0.429472E-04    0.240561E+03  0.178529E-06 0.100000E-04    0.999780E+00
  41   -0.503853E-04    0.233798E+03  0.215508E-06 0.100000E-04    0.999279E+00
  42   -0.376996E-04    0.227451E+03  0.165748E-06 0.100000E-04    0.974406E+00
  43   -0.133999E-04    0.217003E+03  0.617500E-07 0.100000E-04    0.987891E+00
  44   -0.607712E-04    0.214870E+03  0.282827E-06 0.100000E-04    0.985339E+00
  45    0.201269E-04    0.213289E+03 -0.943645E-07 0.100000E-04    0.979097E+00
  46    0.421647E-04    0.207513E+03 -0.203191E-06 0.100000E-04    0.994573E+00
  47   -0.276533E-04    0.203126E+03  0.136139E-06 0.100000E-04    0.989526E+00
  48   -0.771741E-05    0.195712E+03  0.394325E-07 0.100000E-04    0.804310E+00
  49    0.370277E-04    0.194756E+03 -0.190124E-06 0.100000E-04    0.984109E+00
  50    0.144902E-04    0.191307E+03 -0.757433E-07 0.100000E-04    0.834871E+00
  51   -0.132270E-04    0.182847E+03  0.723394E-07 0.100000E-04    0.980008E+00
  52   -0.327382E-05    0.174149E+03  0.187989E-07 0.100000E-04    0.864070E+00
  53   -0.133805E-04    0.172301E+03  0.776575E-07 0.100000E-04    0.989683E+00
  54    0.262298E-04    0.168106E+03 -0.156031E-06 0.100000E-04    0.998984E+00
  55    0.289471E-04    0.163406E+03 -0.177148E-06 0.100000E-04    0.997544E+00
  56    0.180606E-04    0.157009E+03 -0.115029E-06 0.100000E-04    0.982440E+00
  57   -0.123146E-04    0.154790E+03  0.795570E-07 0.100000E-04    0.958064E+00
  58   -0.317483E-04    0.152256E+03  0.208520E-06 0.100000E-04    0.996274E+00
  59   -0.116621E-04    0.146883E+03  0.793969E-07 0.100000E-04    0.993135E+00
  60    0.194021E-04    0.143468E+03 -0.135237E-06 0.100000E-04    0.974480E+00
  61    0.175390E-04    0.137924E+03 -0.127164E-06 0.100000E-04    0.899159E+00
  62    0.241093E-04    0.135881E+03 -0.177430E-06 0.100000E-04    0.986838E+00
  63    0.167997E-04    0.130384E+03 -0.128849E-06 0.100000E-04    0.822780E+00
  64    0.368976E-04    0.128763E+03 -0.286555E-06 0.100000E-04    0.970679E+00
  65    0.231194E-05    0.126829E+03 -0.182288E-07 0.100000E-04    0.568371E+00
  66    0.435847E-05    0.124403E+03 -0.350351E-07 0.100000E-04    0.682592E+00
  67   -0.369894E-04    0.119973E+03  0.308315E-06 0.100000E-04    0.969367E+00
  68   -0.194508E-05    0.118164E+03  0.164609E-07 0.100000E-04    0.830497E+00
  69   -0.725643E-05    0.116985E+03  0.620285E-07 0.100000E-04    0.947127E+00
  70    0.451785E-04    0.110333E+03 -0.409476E-06 0.100000E-04    0.972507E+00
  71    0.877342E-05    0.106937E+03 -0.820426E-07 0.100000E-04    0.953572E+00
  72   -0.792564E-04    0.104400E+03  0.759164E-06 0.100000E-04    0.981920E+00
  73   -0.158598E-04    0.102860E+03  0.154188E-06 0.100000E-04    0.956120E+00
  74    0.124674E-04    0.995821E+02 -0.125197E-06 0.100000E-04    0.954895E+00
  75    0.606339E-04    0.961019E+02 -0.630934E-06 0.100000E-04    0.973561E+00
  76    0.648508E-05    0.941761E+02 -0.688612E-07 0.100000E-04    0.842301E+00
  77   -0.614972E-04    0.921849E+02  0.667108E-06 0.100000E-04    0.995984E+00
  78    0.159976E-04    0.911296E+02 -0.175548E-06 0.100000E-04    0.975790E+00
  79   -0.736013E-05    0.885865E+02  0.830841E-07 0.100000E-04    0.975726E+00
  80   -0.198158E-04    0.855169E+02  0.231718E-06 0.100000E-04    0.964891E+00
  81    0.395618E-04    0.808216E+02 -0.489495E-06 0.100000E-04    0.987681E+00
  82   -0.321062E-04    0.803321E+02  0.399668E-06 0.100000E-04    0.970057E+00
  83   -0.116373E-04    0.780147E+02  0.149168E-06 0.100000E-04    0.900946E+00
  84   -0.397890E-04    0.733317E+02  0.542590E-06 0.100000E-04    0.939491E+00
  85   -0.174982E-04    0.727068E+02  0.240668E-06 0.100000E-04    0.815616E+00
  86    0.134183E-04    0.680290E+02 -0.197244E-06 0.100000E-04    0.927137E+00
  87   -0.321266E-04    0.649111E+02  0.494932E-06 0.100000E-04    0.945252E+00
  88    0.277022E-04    0.615555E+02 -0.450036E-06 0.100000E-04    0.963483E+00
  89    0.408464E-04    0.599130E+02 -0.681762E-06 0.100000E-04    0.950843E+00
  90    0.486973E-04    0.593982E+02 -0.819845E-06 0.100000E-04    0.979991E+00
  91   -0.232113E-04    0.582469E+02  0.398498E-06 0.100000E-04    0.891652E+00
  92   -0.818669E-04    0.559297E+02  0.146375E-05 0.100000E-04    0.964634E+00
  93    0.626946E-04    0.524979E+02 -0.119423E-05 0.100000E-04    0.975799E+00
  94   -0.478866E-04    0.521389E+02  0.918444E-06 0.100000E-04    0.981941E+00
  95   -0.252254E-04    0.501051E+02  0.503450E-06 0.100000E-04    0.870581E+00
  96    0.663910E-05    0.463598E+02 -0.143208E-06 0.100000E-04    0.878671E+00
  97    0.119108E-04    0.432233E+02 -0.275564E-06 0.100000E-04    0.306079E+00
  98    0.435199E-04    0.408702E+02 -0.106483E-05 0.100000E-04    0.949664E+00
  99    0.623561E-04    0.379043E+02 -0.164509E-05 0.100000E-04    0.933819E+00
 100    0.490803E-04    0.363638E+02 -0.134970E-05 0.100000E-04    0.969561E+00
 101    0.101744E-03    0.324582E+02 -0.313462E-05 0.100000E-04    0.899611E+00
 102   -0.922404E-04    0.288312E+02  0.319933E-05 0.100000E-04    0.967677E+00
 103   -0.650081E-04    0.284504E+02  0.228496E-05 0.100000E-04    0.987312E+00
 104    0.131909E-03    0.262910E+02 -0.501727E-05 0.100000E-04    0.960258E+00
 105    0.226191E-04    0.233041E+02 -0.970602E-06 0.100000E-04    0.843433E+00
 106   -0.217562E-05    0.212909E+02  0.102185E-06 0.100000E-04    0.122573E+01
 107    0.419243E-03    0.199253E+02 -0.100000E-04 0.100000E-04    0.691053E+00
 108    0.421394E-03    0.165279E+02 -0.100000E-04 0.100000E-04    0.607633E+00
 109   -0.998411E-04    0.138892E+02  0.718839E-05 0.100000E-04    0.995402E+00
 110    0.142182E-01    0.122381E+02 -0.109000E-04 0.109000E-04    0.124408E+00
 111   -0.887859E-04    0.100916E+02  0.879803E-05 0.100000E-04    0.989632E+00
 112    0.308525E-01    0.871514E+01 -0.459984E-04 0.459984E-04    0.482200E-01
 113    0.690424E-01    0.577570E+01 -0.296812E-03 0.296812E-03    0.189216E+00
 114    0.904378E+00    0.326810E+01  0.400000E-03 0.400000E-03    0.182617E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4000000000E-03    0.2582704510    

 Beginning of optimization cycle  502.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3028312316
 potential> RMS force:                                               0.0851170295   |gradient|=.9088011842    
 Eigenvalues of the Hessian matrix:
   745.39059    674.45341    630.00934    601.21444    586.61800    578.59042 
   565.82912    487.36961    460.98607    460.01297    441.79324    428.97310 
   422.03679    408.31480    396.48981    387.79082    369.84278    360.52261 
   349.45947    335.16023    328.98454    321.90998    318.94477    309.75041 
   301.01113    290.44274    278.59722    272.52287    268.34875    264.84798 
   263.44325    253.32053    241.48453    240.58010    233.80619    227.45168 
   217.00092    214.87278    213.28802    207.52226    203.11682    195.69436 
   194.75941    191.30925    182.84825    174.15824    172.30009    168.11433 
   163.39289    156.99636    154.79742    152.25834    146.86760    143.46252 
   137.93421    135.87987    130.37884    128.76729    126.83393    124.38448 
   119.97414    118.16398    116.97823    110.33270    106.93106    104.39989 
   102.85723     99.57911     96.10441     94.17324     92.16650     91.13505 
    88.57510     85.52211     80.82125     80.34175     78.01031     73.33191 
    72.70095     68.02250     64.90098     61.53952     59.90856     59.39832 
    58.23689     55.92512     52.49545     52.13247     50.11014     46.34771 
    43.23159     40.87311     37.90303     36.35581     32.44382     28.83365 
    28.45001     26.28808     23.30560     21.29405     19.91761     16.52347 
    13.89003     12.23799     10.09179      8.72942      5.77023      3.26165 
overlap for current and previous eigenvector    109 is        -0.9999985095
overlap for current and previous eigenvector    110 is         0.9999996517
overlap for current and previous eigenvector    111 is         0.9999977686
overlap for current and previous eigenvector    112 is         0.9999946187
overlap for current and previous eigenvector    113 is         0.9999898386
overlap for current and previous eigenvector    114 is         0.9999934896
J1,K1,R1,R2,RAT=   7   7   -0.1156674699E-01     2.011303348        0.9884332530    
FOB,PFOB,DIAG,PSTEP=   -0.1022749763E-04   -0.1011053622E-04     745.3905948        0.1356586468E-07
J1,K1,R1,R2,RAT=   8   8   -0.2087939549E-01     2.020926645        0.9791206045    
FOB,PFOB,DIAG,PSTEP=   -0.1191811725E-04   -0.1167436924E-04     674.4534086        0.1730896945E-07
J1,K1,R1,R2,RAT=   9   9   -0.6740344445E-01     2.067264496        0.9325965556    
FOB,PFOB,DIAG,PSTEP=   -0.1303095999E-04   -0.1220803895E-04     630.0093406        0.1937889864E-07
J1,K1,R1,R2,RAT=  10  10    0.1031639739         1.896945748        0.8968360261    
FOB,PFOB,DIAG,PSTEP=    0.1713232032E-05    0.1910294827E-05     601.2144406       -0.3177219147E-08
J1,K1,R1,R2,RAT=  11  11    0.4392641612E-01     1.956122583        0.9560735839    
FOB,PFOB,DIAG,PSTEP=   -0.2090635131E-05   -0.2186686060E-05     586.6180048        0.3727523653E-08
J1,K1,R1,R2,RAT= 109 109     2.039039450       -0.3915738682E-01    0.9608426132    
FOB,PFOB,DIAG,PSTEP=    0.1037508768E-03   -0.9984112852E-04     13.89003178        0.7188393654E-05
J1,K1,R1,R2,RAT= 110 110     1.015910580         212.1596182        0.1591058050E-01
FOB,PFOB,DIAG,PSTEP=    0.1408266115E-01    0.1421817762E-01     12.23798972       -0.1090000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1255766603E-02     1.998700808        0.9987008082    
FOB,PFOB,DIAG,PSTEP=   -0.8867443526E-04   -0.8878593209E-04     10.09179422        0.8798025202E-05
J1,K1,R1,R2,RAT= 112 112   -0.9914214681         154.6624264        0.8578531928E-02
FOB,PFOB,DIAG,PSTEP=    0.3125059950E-01    0.3085250442E-01     8.729419103       -0.4599844420E-04
J1,K1,R1,R2,RAT= 113 113   -0.7960344820         81.42129698        0.2039655180    
FOB,PFOB,DIAG,PSTEP=    0.7040577235E-01    0.6904242422E-01     5.770225735       -0.2968124287E-03
J1,K1,R1,R2,RAT= 114 114    0.7994988671        -1387.178867        0.2005011329    
FOB,PFOB,DIAG,PSTEP=    0.9054209193        0.9043778440         3.261653572        0.4000000000E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00003     -0.00003 
    -0.00004     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00002      0.00004     -0.00003     -0.00001 
     0.00004      0.00002     -0.00001     -0.00000     -0.00001      0.00003 
     0.00003     -0.00002      0.00001     -0.00003      0.00001      0.00002 
     0.00002      0.00002      0.00002      0.00004     -0.00000     -0.00001 
    -0.00004     -0.00000     -0.00001      0.00005      0.00001     -0.00008 
    -0.00001     -0.00001      0.00006      0.00001      0.00006      0.00002 
     0.00001      0.00002     -0.00004     -0.00003      0.00001      0.00004 
    -0.00002      0.00001     -0.00003     -0.00003      0.00004      0.00005 
     0.00002      0.00008      0.00007      0.00005     -0.00003      0.00001 
     0.00002      0.00004      0.00006      0.00005     -0.00011      0.00009 
     0.00007     -0.00013     -0.00002     -0.00001      0.00050     -0.00051 
     0.00010      0.01408     -0.00009      0.03125      0.07041      0.90542 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3866698137
 Log product of positive Hessian eigenvalues =          519.0917613837
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2616535722
 Unscaled step for mode    7=        0.0000000137
 Unscaled step for mode    8=        0.0000000177
 Unscaled step for mode    9=        0.0000000207
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000036
 Unscaled step for mode   12=        0.0000000369
 Unscaled step for mode   13=        0.0000000067
 Unscaled step for mode   14=       -0.0000000237
 Unscaled step for mode   15=        0.0000000029
 Unscaled step for mode   16=       -0.0000000034
 Unscaled step for mode   17=        0.0000000157
 Unscaled step for mode   18=        0.0000000018
 Unscaled step for mode   19=        0.0000000423
 Unscaled step for mode   20=        0.0000000045
 Unscaled step for mode   21=        0.0000000070
 Unscaled step for mode   22=        0.0000000435
 Unscaled step for mode   23=       -0.0000000337
 Unscaled step for mode   24=        0.0000000315
 Unscaled step for mode   25=        0.0000000623
 Unscaled step for mode   26=        0.0000000849
 Unscaled step for mode   27=        0.0000000299
 Unscaled step for mode   28=       -0.0000000069
 Unscaled step for mode   29=        0.0000000829
 Unscaled step for mode   30=        0.0000001094
 Unscaled step for mode   31=        0.0000001179
 Unscaled step for mode   32=        0.0000000858
 Unscaled step for mode   33=       -0.0000000344
 Unscaled step for mode   34=        0.0000000623
 Unscaled step for mode   35=       -0.0000001161
 Unscaled step for mode   36=       -0.0000001490
 Unscaled step for mode   37=       -0.0000000312
 Unscaled step for mode   38=       -0.0000000291
 Unscaled step for mode   39=        0.0000000837
 Unscaled step for mode   40=        0.0000001796
 Unscaled step for mode   41=        0.0000002153
 Unscaled step for mode   42=        0.0000001712
 Unscaled step for mode   43=        0.0000000600
 Unscaled step for mode   44=        0.0000002878
 Unscaled step for mode   45=       -0.0000000970
 Unscaled step for mode   46=       -0.0000002048
 Unscaled step for mode   47=        0.0000001379
 Unscaled step for mode   48=        0.0000000473
 Unscaled step for mode   49=       -0.0000001922
 Unscaled step for mode   50=       -0.0000000858
 Unscaled step for mode   51=        0.0000000693
 Unscaled step for mode   52=        0.0000000140
 Unscaled step for mode   53=        0.0000000771
 Unscaled step for mode   54=       -0.0000001549
 Unscaled step for mode   55=       -0.0000001783
 Unscaled step for mode   56=        0.0000001215
 Unscaled step for mode   57=       -0.0000000744
 Unscaled step for mode   58=        0.0000002100
 Unscaled step for mode   59=       -0.0000000807
 Unscaled step for mode   60=       -0.0000001298
 Unscaled step for mode   61=       -0.0000001126
 Unscaled step for mode   62=       -0.0000001808
 Unscaled step for mode   63=       -0.0000001497
 Unscaled step for mode   64=       -0.0000002773
 Unscaled step for mode   65=        0.0000000019
 Unscaled step for mode   66=        0.0000000441
 Unscaled step for mode   67=        0.0000003201
 Unscaled step for mode   68=        0.0000000113
 Unscaled step for mode   69=        0.0000000583
 Unscaled step for mode   70=       -0.0000004181
 Unscaled step for mode   71=       -0.0000000874
 Unscaled step for mode   72=        0.0000007461
 Unscaled step for mode   73=        0.0000001455
 Unscaled step for mode   74=        0.0000001205
 Unscaled step for mode   75=       -0.0000006113
 Unscaled step for mode   76=       -0.0000000757
 Unscaled step for mode   77=       -0.0000006675
 Unscaled step for mode   78=       -0.0000001679
 Unscaled step for mode   79=       -0.0000000884
 Unscaled step for mode   80=       -0.0000002367
 Unscaled step for mode   81=        0.0000004957
 Unscaled step for mode   82=        0.0000004100
 Unscaled step for mode   83=       -0.0000001505
 Unscaled step for mode   84=       -0.0000005098
 Unscaled step for mode   85=        0.0000002819
 Unscaled step for mode   86=       -0.0000001784
 Unscaled step for mode   87=        0.0000004610
 Unscaled step for mode   88=        0.0000004530
 Unscaled step for mode   89=       -0.0000007172
 Unscaled step for mode   90=       -0.0000008350
 Unscaled step for mode   91=       -0.0000003332
 Unscaled step for mode   92=       -0.0000015086
 Unscaled step for mode   93=       -0.0000012389
 Unscaled step for mode   94=       -0.0000009042
 Unscaled step for mode   95=        0.0000005566
 Unscaled step for mode   96=       -0.0000001134
 Unscaled step for mode   97=       -0.0000003880
 Unscaled step for mode   98=       -0.0000010093
 Unscaled step for mode   99=       -0.0000015091
 Unscaled step for mode  100=       -0.0000012678
 Unscaled step for mode  101=        0.0000034817
 Unscaled step for mode  102=       -0.0000030980
 Unscaled step for mode  103=       -0.0000023358
 Unscaled step for mode  104=        0.0000049112
 Unscaled step for mode  105=        0.0000006813
 Unscaled step for mode  106=        0.0000003456
 Unscaled step for mode  107=       -0.0000252687
 Unscaled step for mode  108=        0.0000308841
 Unscaled step for mode  109=       -0.0000074694
 Unscaled step for mode  110=       -0.0011507317
 Unscaled step for mode  111=        0.0000087868
 Unscaled step for mode  112=       -0.0035798715
 Unscaled step for mode  113=       -0.0121997469
 Unscaled step for mode  114=        0.2589775115
 Largest modulus ratio of non-zero e/values=           228.5315035    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.195482E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.265478E-14    0.100666E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.101470E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.360389E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.234486E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.977476E-15    0.974221E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.102275E-04    0.745391E+03  0.137210E-07 0.100000E-04    0.988433E+00
   8   -0.119181E-04    0.674453E+03  0.176708E-07 0.100000E-04    0.979121E+00
   9   -0.130310E-04    0.630009E+03  0.206838E-07 0.100000E-04    0.932597E+00
  10    0.171323E-05    0.601214E+03 -0.284962E-08 0.100000E-04    0.896836E+00
  11   -0.209064E-05    0.586618E+03  0.356388E-08 0.100000E-04    0.956074E+00
  12   -0.213302E-04    0.578590E+03  0.368659E-07 0.100000E-04    0.948012E+00
  13   -0.380041E-05    0.565829E+03  0.671653E-08 0.100000E-04    0.985550E+00
  14    0.115265E-04    0.487370E+03 -0.236503E-07 0.100000E-04    0.951160E+00
  15   -0.132850E-05    0.460986E+03  0.288187E-08 0.100000E-04    0.328440E+00
  16    0.156888E-05    0.460013E+03 -0.341051E-08 0.100000E-04    0.738976E+00
  17   -0.695355E-05    0.441793E+03  0.157394E-07 0.100000E-04    0.806981E+00
  18   -0.786117E-06    0.428973E+03  0.183256E-08 0.100000E-04    0.241128E+00
  19   -0.178408E-04    0.422037E+03  0.422730E-07 0.100000E-04    0.979931E+00
  20   -0.182340E-05    0.408315E+03  0.446568E-08 0.100000E-04    0.734029E+00
  21   -0.277052E-05    0.396490E+03  0.698762E-08 0.100000E-04    0.763740E+00
  22   -0.168834E-04    0.387791E+03  0.435374E-07 0.100000E-04    0.986836E+00
  23    0.124711E-04    0.369843E+03 -0.337201E-07 0.100000E-04    0.919144E+00
  24   -0.113658E-04    0.360523E+03  0.315260E-07 0.100000E-04    0.979408E+00
  25   -0.217623E-04    0.349459E+03  0.622741E-07 0.100000E-04    0.980844E+00
  26   -0.284456E-04    0.335160E+03  0.848716E-07 0.100000E-04    0.974338E+00
  27   -0.982443E-05    0.328985E+03  0.298629E-07 0.100000E-04    0.923076E+00
  28    0.222180E-05    0.321910E+03 -0.690194E-08 0.100000E-04    0.718935E+00
  29   -0.264476E-04    0.318945E+03  0.829221E-07 0.100000E-04    0.963764E+00
  30   -0.338879E-04    0.309750E+03  0.109404E-06 0.100000E-04    0.970800E+00
  31   -0.354966E-04    0.301011E+03  0.117924E-06 0.100000E-04    0.975880E+00
  32   -0.249157E-04    0.290443E+03  0.857854E-07 0.100000E-04    0.957692E+00
  33    0.958043E-05    0.278597E+03 -0.343881E-07 0.100000E-04    0.939185E+00
  34   -0.169696E-04    0.272523E+03  0.622685E-07 0.100000E-04    0.968100E+00
  35    0.311544E-04    0.268349E+03 -0.116097E-06 0.100000E-04    0.987389E+00
  36    0.394512E-04    0.264848E+03 -0.148958E-06 0.100000E-04    0.980908E+00
  37    0.822336E-05    0.263443E+03 -0.312149E-07 0.100000E-04    0.876724E+00
  38    0.736933E-05    0.253321E+03 -0.290909E-07 0.100000E-04    0.996399E+00
  39   -0.202057E-04    0.241485E+03  0.836728E-07 0.100000E-04    0.994434E+00
  40   -0.432111E-04    0.240580E+03  0.179612E-06 0.100000E-04    0.993856E+00
  41   -0.503448E-04    0.233806E+03  0.215327E-06 0.100000E-04    0.999127E+00
  42   -0.389509E-04    0.227452E+03  0.171249E-06 0.100000E-04    0.966809E+00
  43   -0.130254E-04    0.217001E+03  0.600248E-07 0.100000E-04    0.972051E+00
  44   -0.618335E-04    0.214873E+03  0.287768E-06 0.100000E-04    0.982520E+00
  45    0.206922E-04    0.213288E+03 -0.970152E-07 0.100000E-04    0.971914E+00
  46    0.425096E-04    0.207522E+03 -0.204843E-06 0.100000E-04    0.991821E+00
  47   -0.280065E-04    0.203117E+03  0.137884E-06 0.100000E-04    0.987229E+00
  48   -0.924881E-05    0.195694E+03  0.472615E-07 0.100000E-04    0.801547E+00
  49    0.374333E-04    0.194759E+03 -0.192203E-06 0.100000E-04    0.989048E+00
  50    0.164081E-04    0.191309E+03 -0.857676E-07 0.100000E-04    0.867644E+00
  51   -0.126736E-04    0.182848E+03  0.693119E-07 0.100000E-04    0.958141E+00
  52   -0.244603E-05    0.174158E+03  0.140449E-07 0.100000E-04    0.747057E+00
  53   -0.132790E-04    0.172300E+03  0.770691E-07 0.100000E-04    0.992417E+00
  54    0.260488E-04    0.168114E+03 -0.154947E-06 0.100000E-04    0.993005E+00
  55    0.291250E-04    0.163393E+03 -0.178251E-06 0.100000E-04    0.993853E+00
  56   -0.190682E-04    0.156996E+03  0.121456E-06 0.100000E-04    0.944205E+00
  57    0.115240E-04    0.154797E+03 -0.744455E-07 0.100000E-04    0.935702E+00
  58   -0.319814E-04    0.152258E+03  0.210047E-06 0.100000E-04    0.992658E+00
  59    0.118554E-04    0.146868E+03 -0.807219E-07 0.100000E-04    0.983418E+00
  60    0.186223E-04    0.143463E+03 -0.129806E-06 0.100000E-04    0.959807E+00
  61    0.155346E-04    0.137934E+03 -0.112623E-06 0.100000E-04    0.885576E+00
  62    0.245621E-04    0.135880E+03 -0.180763E-06 0.100000E-04    0.981220E+00
  63    0.195224E-04    0.130379E+03 -0.149736E-06 0.100000E-04    0.837928E+00
  64    0.357048E-04    0.128767E+03 -0.277281E-06 0.100000E-04    0.967604E+00
  65   -0.247241E-06    0.126834E+03  0.194933E-08 0.109000E-04    0.106899E+00
  66   -0.548462E-05    0.124384E+03  0.440941E-07 0.100000E-04    0.741579E+00
  67   -0.384002E-04    0.119974E+03  0.320070E-06 0.100000E-04    0.961860E+00
  68   -0.133718E-05    0.118164E+03  0.113163E-07 0.100000E-04    0.687463E+00
  69   -0.682297E-05    0.116978E+03  0.583268E-07 0.100000E-04    0.940261E+00
  70    0.461343E-04    0.110333E+03 -0.418138E-06 0.100000E-04    0.978844E+00
  71    0.934869E-05    0.106931E+03 -0.874273E-07 0.100000E-04    0.934426E+00
  72   -0.778904E-04    0.104400E+03  0.746077E-06 0.100000E-04    0.982761E+00
  73   -0.149624E-04    0.102857E+03  0.145467E-06 0.100000E-04    0.943413E+00
  74   -0.120004E-04    0.995791E+02  0.120511E-06 0.100000E-04    0.962538E+00
  75    0.587504E-04    0.961044E+02 -0.611318E-06 0.100000E-04    0.968883E+00
  76    0.712721E-05    0.941732E+02 -0.756819E-07 0.100000E-04    0.900981E+00
  77    0.615252E-04    0.921665E+02 -0.667544E-06 0.100000E-04    0.999546E+00
  78    0.152987E-04    0.911351E+02 -0.167868E-06 0.100000E-04    0.956192E+00
  79    0.782901E-05    0.885751E+02 -0.883884E-07 0.100000E-04    0.936287E+00
  80    0.202445E-04    0.855221E+02 -0.236716E-06 0.100000E-04    0.978366E+00
  81   -0.400651E-04    0.808213E+02  0.495725E-06 0.100000E-04    0.987278E+00
  82   -0.329402E-04    0.803417E+02  0.410001E-06 0.100000E-04    0.974024E+00
  83    0.117374E-04    0.780103E+02 -0.150460E-06 0.100000E-04    0.991395E+00
  84    0.373823E-04    0.733319E+02 -0.509769E-06 0.100000E-04    0.939508E+00
  85   -0.204955E-04    0.727010E+02  0.281915E-06 0.100000E-04    0.828695E+00
  86    0.121320E-04    0.680225E+02 -0.178353E-06 0.100000E-04    0.904128E+00
  87   -0.299186E-04    0.649010E+02  0.460989E-06 0.100000E-04    0.931263E+00
  88   -0.278795E-04    0.615395E+02  0.453034E-06 0.100000E-04    0.993596E+00
  89    0.429667E-04    0.599086E+02 -0.717204E-06 0.100000E-04    0.948088E+00
  90    0.495970E-04    0.593983E+02 -0.834990E-06 0.100000E-04    0.981524E+00
  91    0.194052E-04    0.582369E+02 -0.333212E-06 0.100000E-04    0.835998E+00
  92    0.843659E-04    0.559251E+02 -0.150855E-05 0.100000E-04    0.969473E+00
  93    0.650384E-04    0.524954E+02 -0.123893E-05 0.100000E-04    0.962615E+00
  94    0.471361E-04    0.521325E+02 -0.904160E-06 0.100000E-04    0.984326E+00
  95   -0.278909E-04    0.501101E+02  0.556593E-06 0.100000E-04    0.894342E+00
  96    0.525585E-05    0.463477E+02 -0.113400E-06 0.100000E-04    0.791597E+00
  97    0.167727E-04    0.432316E+02 -0.387973E-06 0.100000E-04    0.591888E+00
  98    0.412540E-04    0.408731E+02 -0.100932E-05 0.100000E-04    0.947795E+00
  99    0.571978E-04    0.379030E+02 -0.150906E-05 0.100000E-04    0.917274E+00
 100    0.460936E-04    0.363558E+02 -0.126785E-05 0.100000E-04    0.939134E+00
 101   -0.112959E-03    0.324438E+02  0.348168E-05 0.100000E-04    0.889724E+00
 102    0.893265E-04    0.288337E+02 -0.309800E-05 0.100000E-04    0.968242E+00
 103    0.664538E-04    0.284500E+02 -0.233581E-05 0.100000E-04    0.977762E+00
 104   -0.129107E-03    0.262881E+02  0.491124E-05 0.100000E-04    0.978754E+00
 105   -0.158792E-04    0.233056E+02  0.681349E-06 0.100000E-04    0.701923E+00
 106   -0.735821E-05    0.212940E+02  0.345553E-06 0.100000E-04    0.138178E+01
 107    0.503292E-03    0.199176E+02 -0.100000E-04 0.100000E-04    0.578018E+00
 108   -0.510313E-03    0.165235E+02  0.100000E-04 0.100000E-04    0.461861E+00
 109    0.103751E-03    0.138900E+02 -0.746945E-05 0.100000E-04    0.960843E+00
 110    0.140827E-01    0.122380E+02 -0.118810E-04 0.118810E-04    0.159106E-01
 111   -0.886744E-04    0.100918E+02  0.878679E-05 0.100000E-04    0.998701E+00
 112    0.312506E-01    0.872942E+01 -0.501383E-04 0.501383E-04    0.857853E-02
 113    0.704058E-01    0.577023E+01 -0.267399E-03 0.267399E-03    0.203966E+00
 114    0.905421E+00    0.326165E+01  0.360360E-03 0.360360E-03    0.200501E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.3603603604E-03    0.2589775115    

 Beginning of optimization cycle  503.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3025250952
 potential> RMS force:                                               0.0852138095   |gradient|=.9098345124    
 Eigenvalues of the Hessian matrix:
   745.47961    674.43941    630.04946    601.18328    586.60525    578.62312 
   565.78559    487.38341    460.96141    459.99852    441.78925    428.98705 
   422.03320    408.29972    396.48199    387.77461    369.85704    360.52160 
   349.45176    335.16929    329.00720    321.90959    318.94569    309.73449 
   300.99424    290.45384    278.61362    272.53783    268.36129    264.85345 
   263.47191    253.31171    241.48357    240.59697    233.81366    227.45174 
   216.99954    214.87493    213.28711    207.53080    203.10885    195.67830 
   194.76232    191.31130    182.84960    174.16667    172.29949    168.12137 
   163.38108    156.98544    154.80409    152.26069    146.85368    143.45796 
   137.94344    135.87887    130.37462    128.77131    126.83843    124.36778 
   119.97546    118.16429    116.97170    110.33293    106.92555    104.40049 
   102.85481     99.57644     96.10663     94.17067     92.14999     91.13995 
    88.56486     85.52679     80.82102     80.35043     78.00640     73.33212 
    72.69569     68.01691     64.89190     61.52513     59.90451     59.39865 
    58.22814     55.92117     52.49327     52.12682     50.11499     46.33686 
    43.23909     40.87587     37.90206     36.34896     32.43090     28.83606 
    28.44971     26.28557     23.30683     21.29706     19.91071     16.51946 
    13.89083     12.23793     10.09193      8.74286      5.76548      3.25575 
overlap for current and previous eigenvector    109 is         0.9999987370
overlap for current and previous eigenvector    110 is         0.9999997404
overlap for current and previous eigenvector    111 is         0.9999981399
overlap for current and previous eigenvector    112 is        -0.9999952958
overlap for current and previous eigenvector    113 is        -0.9999913188
overlap for current and previous eigenvector    114 is        -0.9999945659
J1,K1,R1,R2,RAT=   7   7    0.1147244760         1.885036714        0.8850367142    
FOB,PFOB,DIAG,PSTEP=   -0.9054013207E-05   -0.1022749763E-04     745.4796087        0.1372099099E-07
J1,K1,R1,R2,RAT=   8   8    0.1048823724         1.895159142        0.8951176276    
FOB,PFOB,DIAG,PSTEP=   -0.1066814279E-04   -0.1191811725E-04     674.4394092        0.1767077919E-07
J1,K1,R1,R2,RAT=   9   9    0.9962095662E-01     1.900251697        0.9002516967    
FOB,PFOB,DIAG,PSTEP=   -0.1173272063E-04   -0.1303095999E-04     630.0494580        0.2068375682E-07
J1,K1,R1,R2,RAT=  10  10    0.3030196466E-01     1.969801687        0.9696980353    
FOB,PFOB,DIAG,PSTEP=    0.1661320426E-05    0.1713232032E-05     601.1832839       -0.2849618899E-08
J1,K1,R1,R2,RAT=  11  11    0.8172928387E-01     1.918314203        0.9182707161    
FOB,PFOB,DIAG,PSTEP=   -0.1919772734E-05   -0.2090635131E-05     586.6052498        0.3563878221E-08
J1,K1,R1,R2,RAT= 109 109    0.7726209397E-01     1.922623447        0.9226234472    
FOB,PFOB,DIAG,PSTEP=    0.9573440799E-04    0.1037508768E-03     13.89082675       -0.7469448478E-05
J1,K1,R1,R2,RAT= 110 110     1.002755053         192.7080894        0.2755052634E-02
FOB,PFOB,DIAG,PSTEP=    0.1393686178E-01    0.1408266115E-01     12.23792522       -0.1188100000E-04
J1,K1,R1,R2,RAT= 111 111    0.9615897785E-01     1.903813872        0.9038138721    
FOB,PFOB,DIAG,PSTEP=   -0.8014747645E-04   -0.8867443526E-04     10.09193122        0.8786785907E-05
J1,K1,R1,R2,RAT= 112 112     143.2616326       -0.6794153553        0.3205846447    
FOB,PFOB,DIAG,PSTEP=   -0.3154842257E-01    0.3125059950E-01     8.742856376       -0.5013830418E-04
J1,K1,R1,R2,RAT= 113 113     92.15949576       -0.8231189398        0.1768810602    
FOB,PFOB,DIAG,PSTEP=   -0.7167475907E-01    0.7040577235E-01     5.765478794       -0.2673985844E-03
J1,K1,R1,R2,RAT= 114 114    -1544.241436        0.7923318109        0.2076681891    
FOB,PFOB,DIAG,PSTEP=   -0.9063505176        0.9054209193         3.255751089        0.3603603604E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00002     -0.00003     -0.00001      0.00000     -0.00002     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00002      0.00003      0.00004 
     0.00001      0.00001     -0.00002     -0.00004     -0.00005     -0.00004 
    -0.00001     -0.00006      0.00002      0.00004     -0.00003     -0.00001 
     0.00003      0.00001     -0.00001      0.00000     -0.00001      0.00002 
    -0.00003      0.00002     -0.00001      0.00003      0.00001     -0.00002 
     0.00001      0.00002     -0.00002      0.00003     -0.00000     -0.00001 
     0.00004     -0.00000     -0.00001      0.00004     -0.00001     -0.00007 
     0.00001      0.00001     -0.00005     -0.00001     -0.00006      0.00001 
    -0.00001     -0.00002     -0.00004     -0.00003      0.00001     -0.00003 
    -0.00002     -0.00001     -0.00003     -0.00003     -0.00004     -0.00004 
     0.00002     -0.00008      0.00006      0.00004     -0.00003     -0.00000 
     0.00002      0.00004     -0.00005     -0.00004      0.00011     -0.00008 
     0.00006      0.00012     -0.00001      0.00001      0.00056     -0.00058 
     0.00010      0.01394     -0.00008     -0.03155     -0.07167     -0.90635 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3864315744
 Log product of positive Hessian eigenvalues =          519.0886861276
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2557510886
 Unscaled step for mode    7=        0.0000000121
 Unscaled step for mode    8=        0.0000000158
 Unscaled step for mode    9=        0.0000000186
 Unscaled step for mode   10=       -0.0000000028
 Unscaled step for mode   11=        0.0000000033
 Unscaled step for mode   12=        0.0000000332
 Unscaled step for mode   13=        0.0000000057
 Unscaled step for mode   14=       -0.0000000212
 Unscaled step for mode   15=        0.0000000031
 Unscaled step for mode   16=       -0.0000000030
 Unscaled step for mode   17=        0.0000000141
 Unscaled step for mode   18=        0.0000000022
 Unscaled step for mode   19=        0.0000000375
 Unscaled step for mode   20=        0.0000000044
 Unscaled step for mode   21=        0.0000000066
 Unscaled step for mode   22=        0.0000000396
 Unscaled step for mode   23=       -0.0000000305
 Unscaled step for mode   24=        0.0000000283
 Unscaled step for mode   25=        0.0000000551
 Unscaled step for mode   26=        0.0000000750
 Unscaled step for mode   27=        0.0000000259
 Unscaled step for mode   28=       -0.0000000060
 Unscaled step for mode   29=        0.0000000743
 Unscaled step for mode   30=        0.0000000985
 Unscaled step for mode   31=        0.0000001051
 Unscaled step for mode   32=        0.0000000785
 Unscaled step for mode   33=       -0.0000000313
 Unscaled step for mode   34=        0.0000000560
 Unscaled step for mode   35=       -0.0000001040
 Unscaled step for mode   36=       -0.0000001356
 Unscaled step for mode   37=       -0.0000000261
 Unscaled step for mode   38=       -0.0000000258
 Unscaled step for mode   39=        0.0000000757
 Unscaled step for mode   40=        0.0000001624
 Unscaled step for mode   41=        0.0000001926
 Unscaled step for mode   42=        0.0000001550
 Unscaled step for mode   43=        0.0000000515
 Unscaled step for mode   44=        0.0000002586
 Unscaled step for mode   45=       -0.0000000889
 Unscaled step for mode   46=       -0.0000001841
 Unscaled step for mode   47=        0.0000001232
 Unscaled step for mode   48=        0.0000000437
 Unscaled step for mode   49=       -0.0000001712
 Unscaled step for mode   50=       -0.0000000767
 Unscaled step for mode   51=        0.0000000606
 Unscaled step for mode   52=       -0.0000000109
 Unscaled step for mode   53=        0.0000000686
 Unscaled step for mode   54=       -0.0000001369
 Unscaled step for mode   55=        0.0000001614
 Unscaled step for mode   56=       -0.0000001138
 Unscaled step for mode   57=        0.0000000653
 Unscaled step for mode   58=       -0.0000001894
 Unscaled step for mode   59=       -0.0000000744
 Unscaled step for mode   60=        0.0000001142
 Unscaled step for mode   61=       -0.0000000988
 Unscaled step for mode   62=       -0.0000001620
 Unscaled step for mode   63=        0.0000001383
 Unscaled step for mode   64=       -0.0000002472
 Unscaled step for mode   65=        0.0000000023
 Unscaled step for mode   66=        0.0000000409
 Unscaled step for mode   67=       -0.0000002928
 Unscaled step for mode   68=        0.0000000081
 Unscaled step for mode   69=        0.0000000530
 Unscaled step for mode   70=       -0.0000003732
 Unscaled step for mode   71=        0.0000000773
 Unscaled step for mode   72=        0.0000006713
 Unscaled step for mode   73=       -0.0000001279
 Unscaled step for mode   74=       -0.0000001102
 Unscaled step for mode   75=        0.0000005424
 Unscaled step for mode   76=        0.0000000688
 Unscaled step for mode   77=        0.0000006108
 Unscaled step for mode   78=       -0.0000001413
 Unscaled step for mode   79=        0.0000000806
 Unscaled step for mode   80=        0.0000002067
 Unscaled step for mode   81=        0.0000004498
 Unscaled step for mode   82=        0.0000003671
 Unscaled step for mode   83=       -0.0000001210
 Unscaled step for mode   84=        0.0000004599
 Unscaled step for mode   85=        0.0000002617
 Unscaled step for mode   86=        0.0000001607
 Unscaled step for mode   87=        0.0000004087
 Unscaled step for mode   88=        0.0000004312
 Unscaled step for mode   89=        0.0000006598
 Unscaled step for mode   90=        0.0000007515
 Unscaled step for mode   91=       -0.0000002767
 Unscaled step for mode   92=        0.0000013526
 Unscaled step for mode   93=       -0.0000011406
 Unscaled step for mode   94=       -0.0000008101
 Unscaled step for mode   95=        0.0000005067
 Unscaled step for mode   96=        0.0000000900
 Unscaled step for mode   97=       -0.0000003593
 Unscaled step for mode   98=       -0.0000009074
 Unscaled step for mode   99=        0.0000013300
 Unscaled step for mode  100=        0.0000011017
 Unscaled step for mode  101=       -0.0000032397
 Unscaled step for mode  102=        0.0000027828
 Unscaled step for mode  103=       -0.0000021162
 Unscaled step for mode  104=       -0.0000045065
 Unscaled step for mode  105=        0.0000005029
 Unscaled step for mode  106=       -0.0000004745
 Unscaled step for mode  107=       -0.0000281640
 Unscaled step for mode  108=        0.0000351299
 Unscaled step for mode  109=       -0.0000068919
 Unscaled step for mode  110=       -0.0011388241
 Unscaled step for mode  111=        0.0000079417
 Unscaled step for mode  112=        0.0036084330
 Unscaled step for mode  113=        0.0124297891
 Unscaled step for mode  114=       -0.2596205606
 Largest modulus ratio of non-zero e/values=           228.9731581    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.290891E-15    0.101912E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.206026E-14    0.100666E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.212550E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.375242E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.663965E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.266050E-15    0.974224E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.905401E-05    0.745480E+03  0.121452E-07 0.100000E-04    0.885037E+00
   8   -0.106681E-04    0.674439E+03  0.158178E-07 0.100000E-04    0.895118E+00
   9   -0.117327E-04    0.630049E+03  0.186219E-07 0.100000E-04    0.900252E+00
  10    0.166132E-05    0.601183E+03 -0.276342E-08 0.100000E-04    0.969698E+00
  11   -0.191977E-05    0.586605E+03  0.327268E-08 0.100000E-04    0.918271E+00
  12   -0.192138E-04    0.578623E+03  0.332060E-07 0.100000E-04    0.900668E+00
  13   -0.321687E-05    0.565786E+03  0.568567E-08 0.100000E-04    0.846443E+00
  14    0.103376E-04    0.487383E+03 -0.212105E-07 0.100000E-04    0.896809E+00
  15   -0.142748E-05    0.460961E+03  0.309675E-08 0.100000E-04    0.925491E+00
  16    0.138780E-05    0.459999E+03 -0.301697E-08 0.100000E-04    0.884577E+00
  17   -0.622058E-05    0.441789E+03  0.140804E-07 0.100000E-04    0.894590E+00
  18   -0.954261E-06    0.428987E+03  0.222445E-08 0.100000E-04    0.786115E+00
  19   -0.158369E-04    0.422033E+03  0.375252E-07 0.100000E-04    0.887679E+00
  20   -0.181201E-05    0.408300E+03  0.443795E-08 0.100000E-04    0.993754E+00
  21   -0.260652E-05    0.396482E+03  0.657413E-08 0.100000E-04    0.940805E+00
  22   -0.153579E-04    0.387775E+03  0.396051E-07 0.100000E-04    0.909639E+00
  23    0.112723E-04    0.369857E+03 -0.304775E-07 0.100000E-04    0.903801E+00
  24   -0.102158E-04    0.360522E+03  0.283362E-07 0.100000E-04    0.898815E+00
  25   -0.192445E-04    0.349452E+03  0.550704E-07 0.100000E-04    0.884301E+00
  26   -0.251432E-04    0.335169E+03  0.750164E-07 0.100000E-04    0.883854E+00
  27   -0.852799E-05    0.329007E+03  0.259204E-07 0.100000E-04    0.867911E+00
  28    0.193951E-05    0.321910E+03 -0.602501E-08 0.100000E-04    0.872943E+00
  29   -0.236924E-04    0.318946E+03  0.742834E-07 0.100000E-04    0.895819E+00
  30   -0.305217E-04    0.309734E+03  0.985416E-07 0.100000E-04    0.900662E+00
  31   -0.316392E-04    0.300994E+03  0.105116E-06 0.100000E-04    0.891324E+00
  32   -0.228144E-04    0.290454E+03  0.785474E-07 0.100000E-04    0.915588E+00
  33    0.871603E-05    0.278614E+03 -0.312836E-07 0.100000E-04    0.909662E+00
  34   -0.152649E-04    0.272538E+03  0.560101E-07 0.100000E-04    0.899438E+00
  35    0.278998E-04    0.268361E+03 -0.103964E-06 0.100000E-04    0.895447E+00
  36    0.359109E-04    0.264853E+03 -0.135588E-06 0.100000E-04    0.910223E+00
  37    0.688614E-05    0.263472E+03 -0.261362E-07 0.100000E-04    0.837188E+00
  38    0.653542E-05    0.253312E+03 -0.257999E-07 0.100000E-04    0.886836E+00
  39   -0.182693E-04    0.241484E+03  0.756542E-07 0.100000E-04    0.904163E+00
  40   -0.390802E-04    0.240597E+03  0.162430E-06 0.100000E-04    0.904269E+00
  41   -0.450240E-04    0.233814E+03  0.192564E-06 0.100000E-04    0.894253E+00
  42   -0.352540E-04    0.227452E+03  0.154995E-06 0.100000E-04    0.905087E+00
  43   -0.111748E-04    0.217000E+03  0.514969E-07 0.100000E-04    0.857922E+00
  44   -0.555749E-04    0.214875E+03  0.258638E-06 0.100000E-04    0.898764E+00
  45    0.189558E-04    0.213287E+03 -0.888744E-07 0.100000E-04    0.916083E+00
  46    0.382003E-04    0.207531E+03 -0.184071E-06 0.100000E-04    0.898551E+00
  47   -0.250156E-04    0.203109E+03  0.123163E-06 0.100000E-04    0.893202E+00
  48   -0.854267E-05    0.195678E+03  0.436567E-07 0.100000E-04    0.923644E+00
  49    0.333373E-04    0.194762E+03 -0.171169E-06 0.100000E-04    0.890551E+00
  50    0.146802E-04    0.191311E+03 -0.767346E-07 0.100000E-04    0.894670E+00
  51   -0.110796E-04    0.182850E+03  0.605938E-07 0.100000E-04    0.874212E+00
  52    0.189986E-05    0.174167E+03 -0.109083E-07 0.100000E-04    0.776625E+00
  53   -0.118168E-04    0.172299E+03  0.685828E-07 0.100000E-04    0.889884E+00
  54    0.230182E-04    0.168121E+03 -0.136914E-06 0.100000E-04    0.883577E+00
  55   -0.263690E-04    0.163381E+03  0.161396E-06 0.100000E-04    0.905366E+00
  56    0.178624E-04    0.156985E+03 -0.113784E-06 0.100000E-04    0.936761E+00
  57   -0.101041E-04    0.154804E+03  0.652705E-07 0.100000E-04    0.876712E+00
  58    0.288441E-04    0.152261E+03 -0.189439E-06 0.100000E-04    0.901874E+00
  59    0.109206E-04    0.146854E+03 -0.743636E-07 0.100000E-04    0.921136E+00
  60   -0.163861E-04    0.143458E+03  0.114222E-06 0.100000E-04    0.879916E+00
  61    0.136239E-04    0.137943E+03 -0.987645E-07 0.100000E-04    0.876880E+00
  62    0.220097E-04    0.135879E+03 -0.161981E-06 0.100000E-04    0.896084E+00
  63   -0.180342E-04    0.130375E+03  0.138326E-06 0.100000E-04    0.923768E+00
  64    0.318326E-04    0.128771E+03 -0.247203E-06 0.100000E-04    0.891491E+00
  65   -0.293489E-06    0.126838E+03  0.231388E-08 0.100000E-04    0.812953E+00
  66   -0.508990E-05    0.124368E+03  0.409262E-07 0.100000E-04    0.928022E+00
  67    0.351297E-04    0.119975E+03 -0.292808E-06 0.100000E-04    0.914812E+00
  68   -0.957953E-06    0.118164E+03  0.810696E-08 0.100000E-04    0.716395E+00
  69   -0.620459E-05    0.116972E+03  0.530435E-07 0.100000E-04    0.909364E+00
  70    0.411751E-04    0.110333E+03 -0.373189E-06 0.100000E-04    0.892499E+00
  71   -0.826137E-05    0.106926E+03  0.772628E-07 0.100000E-04    0.883687E+00
  72   -0.700820E-04    0.104400E+03  0.671281E-06 0.100000E-04    0.899741E+00
  73    0.131563E-04    0.102855E+03 -0.127912E-06 0.100000E-04    0.879290E+00
  74    0.109725E-04    0.995764E+02 -0.110192E-06 0.100000E-04    0.914347E+00
  75   -0.521254E-04    0.961066E+02  0.542370E-06 0.100000E-04    0.887191E+00
  76   -0.647650E-05    0.941707E+02  0.687741E-07 0.100000E-04    0.908699E+00
  77   -0.562868E-04    0.921500E+02  0.610817E-06 0.100000E-04    0.914843E+00
  78    0.128760E-04    0.911400E+02 -0.141277E-06 0.100000E-04    0.841540E+00
  79   -0.713939E-05    0.885649E+02  0.806120E-07 0.100000E-04    0.911905E+00
  80   -0.176755E-04    0.855268E+02  0.206667E-06 0.100000E-04    0.873001E+00
  81   -0.363512E-04    0.808210E+02  0.449774E-06 0.100000E-04    0.907302E+00
  82   -0.295005E-04    0.803504E+02  0.367148E-06 0.100000E-04    0.895371E+00
  83    0.944201E-05    0.780064E+02 -0.121042E-06 0.100000E-04    0.804425E+00
  84   -0.337277E-04    0.733321E+02  0.459931E-06 0.100000E-04    0.902233E+00
  85   -0.190223E-04    0.726957E+02  0.261670E-06 0.100000E-04    0.928117E+00
  86   -0.109272E-04    0.680169E+02  0.160654E-06 0.100000E-04    0.900681E+00
  87   -0.265227E-04    0.648919E+02  0.408721E-06 0.100000E-04    0.886478E+00
  88   -0.265300E-04    0.615251E+02  0.431206E-06 0.100000E-04    0.951583E+00
  89   -0.395268E-04    0.599045E+02  0.659830E-06 0.100000E-04    0.919936E+00
  90   -0.446403E-04    0.593987E+02  0.751538E-06 0.100000E-04    0.900050E+00
  91    0.161115E-04    0.582281E+02 -0.276696E-06 0.100000E-04    0.830238E+00
  92   -0.756372E-04    0.559212E+02  0.135257E-05 0.100000E-04    0.896531E+00
  93    0.598763E-04    0.524933E+02 -0.114065E-05 0.100000E-04    0.920627E+00
  94    0.422262E-04    0.521268E+02 -0.810066E-06 0.100000E-04    0.895823E+00
  95   -0.253934E-04    0.501150E+02  0.506703E-06 0.100000E-04    0.910269E+00
  96   -0.416899E-05    0.463369E+02  0.899713E-07 0.100000E-04    0.793160E+00
  97    0.155349E-04    0.432391E+02 -0.359279E-06 0.100000E-04    0.925870E+00
  98    0.370891E-04    0.408759E+02 -0.907359E-06 0.100000E-04    0.898913E+00
  99   -0.504088E-04    0.379021E+02  0.132997E-05 0.100000E-04    0.881303E+00
 100   -0.400444E-04    0.363490E+02  0.110167E-05 0.100000E-04    0.868738E+00
 101    0.105067E-03    0.324309E+02 -0.323971E-05 0.100000E-04    0.930101E+00
 102   -0.802450E-04    0.288361E+02  0.278280E-05 0.100000E-04    0.898175E+00
 103    0.602056E-04    0.284497E+02 -0.211621E-05 0.100000E-04    0.905976E+00
 104    0.118456E-03    0.262856E+02 -0.450651E-05 0.100000E-04    0.917496E+00
 105   -0.117199E-04    0.233068E+02  0.502854E-06 0.100000E-04    0.737974E+00
 106    0.101048E-04    0.212971E+02 -0.474468E-06 0.100000E-04    0.626788E+00
 107    0.560764E-03    0.199107E+02 -0.100000E-04 0.100000E-04    0.711349E+00
 108   -0.580328E-03    0.165195E+02  0.100000E-04 0.100000E-04    0.576169E+00
 109    0.957344E-04    0.138908E+02 -0.689192E-05 0.100000E-04    0.922623E+00
 110    0.139369E-01    0.122379E+02 -0.129503E-04 0.129503E-04    0.275505E-02
 111   -0.801475E-04    0.100919E+02  0.794174E-05 0.100000E-04    0.903814E+00
 112   -0.315484E-01    0.874286E+01  0.451696E-04 0.451696E-04    0.320585E+00
 113   -0.716748E-01    0.576548E+01  0.291464E-03 0.291464E-03    0.176881E+00
 114   -0.906351E+00    0.325575E+01 -0.324649E-03 0.324649E-03    0.207668E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.3246489733E-03    0.2596205606    

 Beginning of optimization cycle  504.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3022529309
 potential> RMS force:                                               0.0852984590   |gradient|=.9107383216    
 Eigenvalues of the Hessian matrix:
   745.56405    674.42218    630.08934    601.15461    586.59184    578.65331 
   565.73975    487.39350    460.93805    459.98457    441.78405    429.00375 
   422.02956    408.28357    396.47410    387.75890    369.87002    360.52161 
   349.44555    335.17878    329.02882    321.90793    318.94993    309.71883 
   300.97976    290.46416    278.63152    272.55210    268.37396    264.85911 
   263.49976    253.30407    241.48402    240.61338    233.82244    227.45364 
   217.00048    214.87677    213.28583    207.53940    203.10098    195.66298 
   194.76634    191.31361    182.85259    174.17576    172.29926    168.12853 
   163.36981    156.97547    154.81090    152.26246    146.84016    143.45272 
   137.95270    135.87803    130.36990    128.77537    126.84240    124.35065 
   119.97673    118.16442    116.96464    110.33355    106.91992    104.40107 
   102.85253     99.57363     96.10793     94.16757     92.13507     91.14503 
    88.55488     85.53164     80.82096     80.35953     78.00242     73.33132 
    72.68938     68.01070     64.88275     61.51182     59.90047     59.39867 
    58.21973     55.91684     52.49087     52.12073     50.12015     46.32620 
    43.24665     40.87825     37.90051     36.34080     32.41885     28.83854 
    28.44956     26.28385     23.30810     21.29938     19.90477     16.51556 
    13.89157     12.23782     10.09201      8.75736      5.76169      3.25025 
overlap for current and previous eigenvector    109 is         0.9999985864
overlap for current and previous eigenvector    110 is         0.9999997145
overlap for current and previous eigenvector    111 is         0.9999978414
overlap for current and previous eigenvector    112 is         0.9999944843
overlap for current and previous eigenvector    113 is         0.9999903139
overlap for current and previous eigenvector    114 is         0.9999939716
J1,K1,R1,R2,RAT=   7   7    0.1004043873         1.899369098        0.8993690978    
FOB,PFOB,DIAG,PSTEP=   -0.8144847589E-05   -0.9054013207E-05     745.5640494        0.1214521913E-07
J1,K1,R1,R2,RAT=   8   8    0.6976338554E-01     1.930287704        0.9302366145    
FOB,PFOB,DIAG,PSTEP=   -0.9923916041E-05   -0.1066814279E-04     674.4221811        0.1581779274E-07
J1,K1,R1,R2,RAT=   9   9   -0.1171269760E-03     1.999990532        0.9998828730    
FOB,PFOB,DIAG,PSTEP=   -0.1173409494E-04   -0.1173272063E-04     630.0893410        0.1862190417E-07
J1,K1,R1,R2,RAT=  10  10    0.4317932805         1.568302123        0.5682067195    
FOB,PFOB,DIAG,PSTEP=    0.9440076464E-06    0.1661320426E-05     601.1546079       -0.2763417531E-08
J1,K1,R1,R2,RAT=  11  11    0.2159142631         1.784131442        0.7840857369    
FOB,PFOB,DIAG,PSTEP=   -0.1505275891E-05   -0.1919772734E-05     586.5918446        0.3272682498E-08
J1,K1,R1,R2,RAT= 109 109    0.4400818999E-01     1.955884252        0.9558842518    
FOB,PFOB,DIAG,PSTEP=    0.9152108339E-04    0.9573440799E-04     13.89157382       -0.6891915775E-05
J1,K1,R1,R2,RAT= 110 110     1.229112197         174.6488515        0.2291121973    
FOB,PFOB,DIAG,PSTEP=    0.1374206800E-01    0.1393686178E-01     12.23782014       -0.1295029000E-04
J1,K1,R1,R2,RAT= 111 111    0.9343449669E-01     1.906550044        0.9065500436    
FOB,PFOB,DIAG,PSTEP=   -0.7265887944E-04   -0.8014747645E-04     10.09200923        0.7941738275E-05
J1,K1,R1,R2,RAT= 112 112   -0.8842365348         160.3941705        0.1157634652    
FOB,PFOB,DIAG,PSTEP=   -0.3189819725E-01   -0.3154842257E-01     8.757360896        0.4516964341E-04
J1,K1,R1,R2,RAT= 113 113   -0.7697118079         86.13093187        0.2302881921    
FOB,PFOB,DIAG,PSTEP=   -0.7296735794E-01   -0.7167475907E-01     5.761691777        0.2914644570E-03
J1,K1,R1,R2,RAT= 114 114    0.7532962817        -1718.646047        0.2467037183    
FOB,PFOB,DIAG,PSTEP=   -0.9071453873       -0.9063505176         3.250245023       -0.3246489733E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00001 
    -0.00002     -0.00002     -0.00001      0.00000     -0.00002     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00001      0.00003      0.00003 
     0.00000      0.00001     -0.00002     -0.00004     -0.00004     -0.00003 
    -0.00001     -0.00005      0.00002      0.00003     -0.00002     -0.00001 
     0.00003      0.00002     -0.00001      0.00000     -0.00001      0.00002 
    -0.00002      0.00002     -0.00001      0.00003      0.00001     -0.00001 
     0.00001      0.00002     -0.00002      0.00003     -0.00000     -0.00001 
     0.00003     -0.00000     -0.00000      0.00004     -0.00001     -0.00006 
     0.00001      0.00001     -0.00004     -0.00001     -0.00005     -0.00001 
     0.00001      0.00002     -0.00003      0.00003     -0.00001     -0.00003 
    -0.00002     -0.00001     -0.00002     -0.00002      0.00004      0.00004 
     0.00001     -0.00007      0.00006      0.00004     -0.00003     -0.00000 
     0.00002      0.00003     -0.00004     -0.00003      0.00012     -0.00007 
     0.00006      0.00010      0.00000      0.00002      0.00064     -0.00067 
     0.00009      0.01374     -0.00007     -0.03190     -0.07297     -0.90715 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3862434390
 Log product of positive Hessian eigenvalues =          519.0860633859
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2502450227
 Unscaled step for mode    7=        0.0000000109
 Unscaled step for mode    8=        0.0000000147
 Unscaled step for mode    9=        0.0000000186
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000026
 Unscaled step for mode   12=        0.0000000325
 Unscaled step for mode   13=        0.0000000054
 Unscaled step for mode   14=       -0.0000000208
 Unscaled step for mode   15=        0.0000000044
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=        0.0000000166
 Unscaled step for mode   18=        0.0000000036
 Unscaled step for mode   19=        0.0000000318
 Unscaled step for mode   20=        0.0000000056
 Unscaled step for mode   21=        0.0000000080
 Unscaled step for mode   22=        0.0000000362
 Unscaled step for mode   23=       -0.0000000317
 Unscaled step for mode   24=        0.0000000262
 Unscaled step for mode   25=        0.0000000474
 Unscaled step for mode   26=        0.0000000632
 Unscaled step for mode   27=        0.0000000193
 Unscaled step for mode   28=       -0.0000000011
 Unscaled step for mode   29=        0.0000000605
 Unscaled step for mode   30=        0.0000000947
 Unscaled step for mode   31=        0.0000000995
 Unscaled step for mode   32=        0.0000000757
 Unscaled step for mode   33=       -0.0000000235
 Unscaled step for mode   34=        0.0000000458
 Unscaled step for mode   35=       -0.0000000966
 Unscaled step for mode   36=       -0.0000001261
 Unscaled step for mode   37=       -0.0000000173
 Unscaled step for mode   38=       -0.0000000228
 Unscaled step for mode   39=        0.0000000654
 Unscaled step for mode   40=        0.0000001475
 Unscaled step for mode   41=        0.0000001727
 Unscaled step for mode   42=        0.0000001491
 Unscaled step for mode   43=        0.0000000461
 Unscaled step for mode   44=        0.0000002414
 Unscaled step for mode   45=       -0.0000000817
 Unscaled step for mode   46=       -0.0000001679
 Unscaled step for mode   47=        0.0000001145
 Unscaled step for mode   48=        0.0000000522
 Unscaled step for mode   49=       -0.0000001591
 Unscaled step for mode   50=       -0.0000000905
 Unscaled step for mode   51=        0.0000000501
 Unscaled step for mode   52=       -0.0000000021
 Unscaled step for mode   53=        0.0000000595
 Unscaled step for mode   54=       -0.0000001218
 Unscaled step for mode   55=        0.0000001477
 Unscaled step for mode   56=       -0.0000001108
 Unscaled step for mode   57=        0.0000000497
 Unscaled step for mode   58=       -0.0000001730
 Unscaled step for mode   59=       -0.0000000680
 Unscaled step for mode   60=        0.0000000942
 Unscaled step for mode   61=       -0.0000000590
 Unscaled step for mode   62=       -0.0000001518
 Unscaled step for mode   63=        0.0000001627
 Unscaled step for mode   64=       -0.0000002039
 Unscaled step for mode   65=        0.0000000321
 Unscaled step for mode   66=        0.0000000522
 Unscaled step for mode   67=       -0.0000002841
 Unscaled step for mode   68=        0.0000000001
 Unscaled step for mode   69=        0.0000000404
 Unscaled step for mode   70=       -0.0000003552
 Unscaled step for mode   71=        0.0000000803
 Unscaled step for mode   72=        0.0000005749
 Unscaled step for mode   73=       -0.0000001024
 Unscaled step for mode   74=       -0.0000000917
 Unscaled step for mode   75=        0.0000004556
 Unscaled step for mode   76=        0.0000000745
 Unscaled step for mode   77=        0.0000005460
 Unscaled step for mode   78=        0.0000001195
 Unscaled step for mode   79=       -0.0000000786
 Unscaled step for mode   80=       -0.0000001974
 Unscaled step for mode   81=        0.0000004153
 Unscaled step for mode   82=       -0.0000003549
 Unscaled step for mode   83=        0.0000001210
 Unscaled step for mode   84=        0.0000003447
 Unscaled step for mode   85=        0.0000003139
 Unscaled step for mode   86=        0.0000001102
 Unscaled step for mode   87=        0.0000002963
 Unscaled step for mode   88=        0.0000003901
 Unscaled step for mode   89=       -0.0000006580
 Unscaled step for mode   90=       -0.0000007009
 Unscaled step for mode   91=       -0.0000001206
 Unscaled step for mode   92=        0.0000013130
 Unscaled step for mode   93=       -0.0000010904
 Unscaled step for mode   94=       -0.0000006982
 Unscaled step for mode   95=        0.0000005667
 Unscaled step for mode   96=        0.0000000116
 Unscaled step for mode   97=       -0.0000005545
 Unscaled step for mode   98=       -0.0000007061
 Unscaled step for mode   99=        0.0000009381
 Unscaled step for mode  100=        0.0000008693
 Unscaled step for mode  101=       -0.0000035687
 Unscaled step for mode  102=        0.0000022929
 Unscaled step for mode  103=       -0.0000019785
 Unscaled step for mode  104=       -0.0000037456
 Unscaled step for mode  105=       -0.0000000561
 Unscaled step for mode  106=       -0.0000008042
 Unscaled step for mode  107=       -0.0000321617
 Unscaled step for mode  108=        0.0000407302
 Unscaled step for mode  109=       -0.0000065882
 Unscaled step for mode  110=       -0.0011229165
 Unscaled step for mode  111=        0.0000071996
 Unscaled step for mode  112=        0.0036423957
 Unscaled step for mode  113=        0.0126621940
 Unscaled step for mode  114=       -0.2602038215
 Largest modulus ratio of non-zero e/values=           229.3870290    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.136501E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.182032E-14    0.100666E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.728584E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.728368E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.530934E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.198923E-14    0.974228E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.814485E-05    0.745564E+03  0.109244E-07 0.100000E-04    0.899369E+00
   8   -0.992392E-05    0.674422E+03  0.147147E-07 0.100000E-04    0.930237E+00
   9   -0.117341E-04    0.630089E+03  0.186229E-07 0.100000E-04    0.999883E+00
  10    0.944008E-06    0.601155E+03 -0.157032E-08 0.100000E-04    0.568207E+00
  11   -0.150528E-05    0.586592E+03  0.256614E-08 0.100000E-04    0.784086E+00
  12   -0.188152E-04    0.578653E+03  0.325155E-07 0.100000E-04    0.979154E+00
  13   -0.303781E-05    0.565740E+03  0.536963E-08 0.100000E-04    0.944333E+00
  14    0.101560E-04    0.487393E+03 -0.208374E-07 0.100000E-04    0.982387E+00
  15   -0.202827E-05    0.460938E+03  0.440032E-08 0.100000E-04    0.579103E+00
  16    0.347948E-06    0.459985E+03 -0.756435E-09 0.100000E-04    0.250696E+00
  17   -0.733066E-05    0.441784E+03  0.165933E-07 0.100000E-04    0.821546E+00
  18   -0.155115E-05    0.429004E+03  0.361571E-08 0.100000E-04    0.374522E+00
  19   -0.134071E-04    0.422030E+03  0.317682E-07 0.100000E-04    0.846575E+00
  20   -0.230633E-05    0.408284E+03  0.564884E-08 0.100000E-04    0.727190E+00
  21   -0.318625E-05    0.396474E+03  0.803647E-08 0.100000E-04    0.777580E+00
  22   -0.140458E-04    0.387759E+03  0.362229E-07 0.100000E-04    0.914561E+00
  23    0.117256E-04    0.369870E+03 -0.317020E-07 0.100000E-04    0.959788E+00
  24   -0.944345E-05    0.360522E+03  0.261938E-07 0.100000E-04    0.924396E+00
  25   -0.165558E-04    0.349446E+03  0.473774E-07 0.100000E-04    0.860288E+00
  26   -0.211791E-04    0.335179E+03  0.631876E-07 0.100000E-04    0.842289E+00
  27   -0.633416E-05    0.329029E+03  0.192511E-07 0.100000E-04    0.742635E+00
  28    0.342406E-06    0.321908E+03 -0.106368E-08 0.109000E-04    0.176538E+00
  29   -0.192810E-04    0.318950E+03  0.604515E-07 0.100000E-04    0.813783E+00
  30   -0.293170E-04    0.309719E+03  0.946570E-07 0.100000E-04    0.960528E+00
  31   -0.299447E-04    0.300980E+03  0.994908E-07 0.100000E-04    0.946443E+00
  32   -0.219864E-04    0.290464E+03  0.756942E-07 0.100000E-04    0.963640E+00
  33    0.655958E-05    0.278632E+03 -0.235421E-07 0.100000E-04    0.752475E+00
  34   -0.124811E-04    0.272552E+03  0.457936E-07 0.100000E-04    0.817544E+00
  35    0.259144E-04    0.268374E+03 -0.965608E-07 0.100000E-04    0.928747E+00
  36    0.333883E-04    0.264859E+03 -0.126061E-06 0.100000E-04    0.929712E+00
  37    0.456812E-05    0.263500E+03 -0.173363E-07 0.100000E-04    0.663203E+00
  38    0.578523E-05    0.253304E+03 -0.228391E-07 0.100000E-04    0.885209E+00
  39   -0.157956E-04    0.241484E+03  0.654107E-07 0.100000E-04    0.864598E+00
  40   -0.354897E-04    0.240613E+03  0.147497E-06 0.100000E-04    0.907993E+00
  41   -0.403809E-04    0.233822E+03  0.172699E-06 0.100000E-04    0.896803E+00
  42   -0.339041E-04    0.227454E+03  0.149059E-06 0.100000E-04    0.961693E+00
  43   -0.100037E-04    0.217000E+03  0.461001E-07 0.100000E-04    0.895197E+00
  44   -0.518708E-04    0.214877E+03  0.241398E-06 0.100000E-04    0.933333E+00
  45    0.174232E-04    0.213286E+03 -0.816893E-07 0.100000E-04    0.919148E+00
  46    0.348510E-04    0.207539E+03 -0.167925E-06 0.100000E-04    0.912242E+00
  47   -0.232525E-04    0.203101E+03  0.114487E-06 0.100000E-04    0.929519E+00
  48   -0.102105E-04    0.195663E+03  0.521839E-07 0.100000E-04    0.804753E+00
  49    0.309938E-04    0.194766E+03 -0.159133E-06 0.100000E-04    0.929665E+00
  50    0.173233E-04    0.191314E+03 -0.905493E-07 0.100000E-04    0.819955E+00
  51   -0.915768E-05    0.182853E+03  0.500823E-07 0.100000E-04    0.826509E+00
  52    0.368957E-06    0.174176E+03 -0.211830E-08 0.109000E-04    0.194140E+00
  53   -0.102551E-04    0.172299E+03  0.595192E-07 0.100000E-04    0.867844E+00
  54    0.204704E-04    0.168129E+03 -0.121755E-06 0.100000E-04    0.889235E+00
  55   -0.241258E-04    0.163370E+03  0.147676E-06 0.100000E-04    0.914925E+00
  56    0.173878E-04    0.156975E+03 -0.110767E-06 0.100000E-04    0.973426E+00
  57   -0.769650E-05    0.154811E+03  0.497155E-07 0.100000E-04    0.761640E+00
  58    0.263443E-04    0.152262E+03 -0.173019E-06 0.100000E-04    0.913313E+00
  59    0.998080E-05    0.146840E+03 -0.679705E-07 0.100000E-04    0.913938E+00
  60   -0.135190E-04    0.143453E+03  0.942404E-07 0.100000E-04    0.825025E+00
  61    0.814107E-05    0.137953E+03 -0.590135E-07 0.100000E-04    0.597450E+00
  62    0.206287E-04    0.135878E+03 -0.151818E-06 0.100000E-04    0.937255E+00
  63   -0.212080E-04    0.130370E+03  0.162676E-06 0.100000E-04    0.824007E+00
  64    0.262628E-04    0.128775E+03 -0.203943E-06 0.100000E-04    0.824971E+00
  65   -0.407409E-05    0.126842E+03  0.321193E-07 0.100000E-04    0.118812E+02
  66   -0.649484E-05    0.124351E+03  0.522300E-07 0.100000E-04    0.723937E+00
  67    0.340867E-04    0.119977E+03 -0.284111E-06 0.100000E-04    0.970287E+00
  68   -0.103382E-07    0.118164E+03  0.874898E-10 0.109000E-04    0.107909E-01
  69   -0.472138E-05    0.116965E+03  0.403658E-07 0.100000E-04    0.760934E+00
  70    0.391920E-04    0.110334E+03 -0.355214E-06 0.100000E-04    0.951827E+00
  71   -0.858540E-05    0.106920E+03  0.802975E-07 0.100000E-04    0.960776E+00
  72   -0.600220E-04    0.104401E+03  0.574918E-06 0.100000E-04    0.856443E+00
  73    0.105346E-04    0.102853E+03 -0.102424E-06 0.100000E-04    0.800722E+00
  74    0.913340E-05    0.995736E+02 -0.917251E-07 0.100000E-04    0.832384E+00
  75   -0.437826E-04    0.961079E+02  0.455556E-06 0.100000E-04    0.839923E+00
  76   -0.701713E-05    0.941676E+02  0.745175E-07 0.100000E-04    0.916523E+00
  77   -0.503071E-04    0.921351E+02  0.546014E-06 0.100000E-04    0.893746E+00
  78   -0.108948E-04    0.911450E+02  0.119533E-06 0.100000E-04    0.846033E+00
  79    0.695716E-05    0.885549E+02 -0.785632E-07 0.100000E-04    0.974472E+00
  80    0.168832E-04    0.855316E+02 -0.197392E-06 0.100000E-04    0.955065E+00
  81   -0.335637E-04    0.808210E+02  0.415285E-06 0.100000E-04    0.923320E+00
  82    0.285173E-04    0.803595E+02 -0.354871E-06 0.100000E-04    0.966449E+00
  83   -0.943464E-05    0.780024E+02  0.120953E-06 0.100000E-04    0.999219E+00
  84   -0.252740E-04    0.733313E+02  0.344655E-06 0.100000E-04    0.749351E+00
  85   -0.228165E-04    0.726894E+02  0.313890E-06 0.100000E-04    0.800523E+00
  86   -0.749623E-05    0.680107E+02  0.110221E-06 0.100000E-04    0.685989E+00
  87   -0.192247E-04    0.648828E+02  0.296299E-06 0.100000E-04    0.724802E+00
  88   -0.239962E-04    0.615118E+02  0.390106E-06 0.100000E-04    0.904470E+00
  89    0.394118E-04    0.599005E+02 -0.657954E-06 0.100000E-04    0.997090E+00
  90    0.416315E-04    0.593987E+02 -0.700882E-06 0.100000E-04    0.932597E+00
  91    0.702283E-05    0.582197E+02 -0.120626E-06 0.100000E-04    0.435808E+00
  92   -0.734177E-04    0.559168E+02  0.131298E-05 0.100000E-04    0.970654E+00
  93    0.572359E-04    0.524909E+02 -0.109040E-05 0.100000E-04    0.955900E+00
  94    0.363904E-04    0.521207E+02 -0.698195E-06 0.100000E-04    0.861782E+00
  95   -0.284014E-04    0.501202E+02  0.566665E-06 0.100000E-04    0.881558E+00
  96   -0.537057E-06    0.463262E+02  0.115929E-07 0.109000E-04    0.128621E+00
  97    0.239802E-04    0.432466E+02 -0.554498E-06 0.100000E-04    0.456464E+00
  98    0.288658E-04    0.408782E+02 -0.706142E-06 0.100000E-04    0.778180E+00
  99   -0.355529E-04    0.379005E+02  0.938058E-06 0.100000E-04    0.705279E+00
 100   -0.315896E-04    0.363408E+02  0.869260E-06 0.100000E-04    0.788816E+00
 101    0.115693E-03    0.324189E+02 -0.356868E-05 0.100000E-04    0.898826E+00
 102   -0.661234E-04    0.288385E+02  0.229288E-05 0.100000E-04    0.823862E+00
 103    0.562865E-04    0.284496E+02 -0.197846E-05 0.100000E-04    0.934904E+00
 104    0.984480E-04    0.262838E+02 -0.374557E-05 0.100000E-04    0.831082E+00
 105    0.130707E-05    0.233081E+02 -0.560781E-07 0.109000E-04    0.111465E+00
 106    0.171280E-04    0.212994E+02 -0.804156E-06 0.100000E-04    0.305033E+00
 107    0.640172E-03    0.199048E+02 -0.100000E-04 0.100000E-04    0.601061E+00
 108   -0.672682E-03    0.165156E+02  0.100000E-04 0.100000E-04    0.440805E+00
 109    0.915211E-04    0.138916E+02 -0.658824E-05 0.100000E-04    0.955884E+00
 110    0.137421E-01    0.122378E+02 -0.116669E-04 0.116669E-04    0.229112E+00
 111   -0.726589E-04    0.100920E+02  0.719964E-05 0.100000E-04    0.906550E+00
 112   -0.318982E-01    0.875736E+01  0.492349E-04 0.492349E-04    0.115763E+00
 113   -0.729674E-01    0.576169E+01  0.262581E-03 0.262581E-03    0.230288E+00
 114   -0.907145E+00    0.325025E+01 -0.292477E-03 0.292477E-03    0.246704E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2924765525E-03    0.2602038215    

 Beginning of optimization cycle  505.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3020081667
 potential> RMS force:                                               0.0853741175   |gradient|=.9115461338    
 Eigenvalues of the Hessian matrix:
   745.64068    674.40706    630.12617    601.12731    586.58003    578.67953 
   565.69750    487.40267    460.91665    459.97188    441.77927    429.01867 
   422.02587    408.26843    396.46688    387.74401    369.88173    360.52164 
   349.43918    335.18730    329.04817    321.90658    318.95348    309.70422 
   300.96634    290.47318    278.64795    272.56477    268.38491    264.86435 
   263.52396    253.29675    241.48424    240.62793    233.83042    227.45518 
   217.00166    214.87841    213.28444    207.54717    203.09386    195.64899 
   194.76985    191.31594    182.85549    174.18415    172.29921    168.13483 
   163.35976    156.96660    154.81711    152.26391    146.82801    143.44800 
   137.96106    135.87727    130.36578    128.77900    126.84608    124.33512 
   119.97802    118.16468    116.95833    110.33424    106.91496    104.40192 
   102.85064     99.57118     96.10906     94.16480     92.12166     91.14953 
    88.54584     85.53599     80.82096     80.36775     77.99887     73.33066 
    72.68371     68.00532     64.87457     61.49981     59.89677     59.39889 
    58.21249     55.91309     52.48875     52.11530     50.12507     46.31665 
    43.25354     40.88049     37.89928     36.33385     32.40807     28.84096 
    28.44948     26.28248     23.30911     21.30172     19.89941     16.51208 
    13.89228     12.23776     10.09201      8.77095      5.75847      3.24523 
overlap for current and previous eigenvector    109 is        -0.9999988078
overlap for current and previous eigenvector    110 is         0.9999997846
overlap for current and previous eigenvector    111 is        -0.9999981971
overlap for current and previous eigenvector    112 is         0.9999952180
overlap for current and previous eigenvector    113 is         0.9999917241
overlap for current and previous eigenvector    114 is         0.9999949473
J1,K1,R1,R2,RAT=   7   7    0.1151164579         1.884677994        0.8846779937    
FOB,PFOB,DIAG,PSTEP=   -0.7207145213E-05   -0.8144847589E-05     745.6406820        0.1092441031E-07
J1,K1,R1,R2,RAT=   8   8    0.1005088280         1.899536016        0.8994911720    
FOB,PFOB,DIAG,PSTEP=   -0.8926497235E-05   -0.9923916041E-05     674.4070597        0.1471469403E-07
J1,K1,R1,R2,RAT=   9   9    0.9751300858E-01     1.902370082        0.9023700820    
FOB,PFOB,DIAG,PSTEP=   -0.1058980115E-04   -0.1173409494E-04     630.1261748        0.1862290658E-07
J1,K1,R1,R2,RAT=  10  10   -0.3165259322E-01     2.031743423        0.9683474068    
FOB,PFOB,DIAG,PSTEP=    0.9738865794E-06    0.9440076464E-06     601.1273078       -0.1570324229E-08
J1,K1,R1,R2,RAT=  11  11    0.9029803990E-01     1.909742250        0.9097019601    
FOB,PFOB,DIAG,PSTEP=   -0.1369355167E-05   -0.1505275891E-05     586.5800279        0.2566138458E-08
J1,K1,R1,R2,RAT= 109 109     1.922319052        0.7757870574E-01    0.9223190524    
FOB,PFOB,DIAG,PSTEP=   -0.8442063321E-04    0.9152108339E-04     13.89228401       -0.6588244395E-05
J1,K1,R1,R2,RAT= 110 110     1.222940885         191.2738978        0.2229408849    
FOB,PFOB,DIAG,PSTEP=    0.1356746008E-01    0.1374206800E-01     12.23776114       -0.1166692793E-04
J1,K1,R1,R2,RAT= 111 111     1.914115637        0.8588499426E-01    0.9141150057    
FOB,PFOB,DIAG,PSTEP=    0.6641857397E-04   -0.7265887944E-04     10.09200605        0.7199644567E-05
J1,K1,R1,R2,RAT= 112 112   -0.5869620622         148.3195869        0.4130379378    
FOB,PFOB,DIAG,PSTEP=   -0.3215166911E-01   -0.3189819725E-01     8.770948498        0.4923491131E-04
J1,K1,R1,R2,RAT= 113 113   -0.7996739987         97.31338800        0.2003260013    
FOB,PFOB,DIAG,PSTEP=   -0.7417651458E-01   -0.7296735794E-01     5.758468105        0.2625805919E-03
J1,K1,R1,R2,RAT= 114 114    0.7444767743        -1912.225979        0.2555232257    
FOB,PFOB,DIAG,PSTEP=   -0.9078520106       -0.9071453873         3.245231909       -0.2924765525E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00001 
    -0.00001     -0.00002     -0.00001      0.00000     -0.00002     -0.00003 
    -0.00003     -0.00002      0.00001     -0.00001      0.00002      0.00003 
     0.00000      0.00001     -0.00001     -0.00003     -0.00004     -0.00003 
    -0.00001     -0.00005      0.00002      0.00003     -0.00002     -0.00001 
     0.00003      0.00002     -0.00001     -0.00000     -0.00001      0.00002 
    -0.00002      0.00002      0.00001      0.00002      0.00001      0.00001 
    -0.00001     -0.00002      0.00002      0.00002     -0.00000      0.00001 
     0.00003      0.00000      0.00000     -0.00003      0.00001      0.00005 
    -0.00001     -0.00001     -0.00004      0.00001     -0.00005     -0.00001 
     0.00001      0.00001     -0.00003      0.00003     -0.00001      0.00002 
    -0.00002      0.00001     -0.00002     -0.00002      0.00004     -0.00004 
    -0.00000     -0.00007      0.00005     -0.00003     -0.00003     -0.00000 
    -0.00002     -0.00003      0.00003      0.00003      0.00011      0.00006 
    -0.00005     -0.00009     -0.00000     -0.00002      0.00069      0.00075 
    -0.00008      0.01357      0.00007     -0.03215     -0.07418     -0.90785 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3860489436
 Log product of positive Hessian eigenvalues =          519.0838285073
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2452319090
 Unscaled step for mode    7=        0.0000000097
 Unscaled step for mode    8=        0.0000000132
 Unscaled step for mode    9=        0.0000000168
 Unscaled step for mode   10=       -0.0000000016
 Unscaled step for mode   11=        0.0000000023
 Unscaled step for mode   12=        0.0000000293
 Unscaled step for mode   13=        0.0000000045
 Unscaled step for mode   14=       -0.0000000186
 Unscaled step for mode   15=        0.0000000044
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=        0.0000000148
 Unscaled step for mode   18=        0.0000000038
 Unscaled step for mode   19=        0.0000000283
 Unscaled step for mode   20=        0.0000000054
 Unscaled step for mode   21=        0.0000000076
 Unscaled step for mode   22=        0.0000000329
 Unscaled step for mode   23=       -0.0000000287
 Unscaled step for mode   24=        0.0000000237
 Unscaled step for mode   25=        0.0000000418
 Unscaled step for mode   26=        0.0000000557
 Unscaled step for mode   27=        0.0000000164
 Unscaled step for mode   28=       -0.0000000007
 Unscaled step for mode   29=        0.0000000536
 Unscaled step for mode   30=        0.0000000855
 Unscaled step for mode   31=        0.0000000886
 Unscaled step for mode   32=        0.0000000693
 Unscaled step for mode   33=       -0.0000000215
 Unscaled step for mode   34=        0.0000000412
 Unscaled step for mode   35=       -0.0000000869
 Unscaled step for mode   36=       -0.0000001142
 Unscaled step for mode   37=       -0.0000000141
 Unscaled step for mode   38=       -0.0000000203
 Unscaled step for mode   39=        0.0000000592
 Unscaled step for mode   40=        0.0000001332
 Unscaled step for mode   41=        0.0000001541
 Unscaled step for mode   42=        0.0000001352
 Unscaled step for mode   43=        0.0000000394
 Unscaled step for mode   44=        0.0000002171
 Unscaled step for mode   45=       -0.0000000748
 Unscaled step for mode   46=       -0.0000001508
 Unscaled step for mode   47=        0.0000001023
 Unscaled step for mode   48=        0.0000000487
 Unscaled step for mode   49=       -0.0000001417
 Unscaled step for mode   50=       -0.0000000805
 Unscaled step for mode   51=        0.0000000430
 Unscaled step for mode   52=        0.0000000000
 Unscaled step for mode   53=        0.0000000531
 Unscaled step for mode   54=       -0.0000001081
 Unscaled step for mode   55=        0.0000001337
 Unscaled step for mode   56=       -0.0000001034
 Unscaled step for mode   57=       -0.0000000435
 Unscaled step for mode   58=       -0.0000001567
 Unscaled step for mode   59=       -0.0000000632
 Unscaled step for mode   60=       -0.0000000833
 Unscaled step for mode   61=        0.0000000522
 Unscaled step for mode   62=        0.0000001370
 Unscaled step for mode   63=       -0.0000001491
 Unscaled step for mode   64=       -0.0000001812
 Unscaled step for mode   65=        0.0000000312
 Unscaled step for mode   66=       -0.0000000474
 Unscaled step for mode   67=       -0.0000002585
 Unscaled step for mode   68=       -0.0000000020
 Unscaled step for mode   69=       -0.0000000371
 Unscaled step for mode   70=        0.0000003169
 Unscaled step for mode   71=       -0.0000000721
 Unscaled step for mode   72=       -0.0000005170
 Unscaled step for mode   73=        0.0000000889
 Unscaled step for mode   74=        0.0000000831
 Unscaled step for mode   75=        0.0000004056
 Unscaled step for mode   76=       -0.0000000662
 Unscaled step for mode   77=        0.0000004957
 Unscaled step for mode   78=        0.0000000969
 Unscaled step for mode   79=       -0.0000000746
 Unscaled step for mode   80=       -0.0000001734
 Unscaled step for mode   81=        0.0000003763
 Unscaled step for mode   82=       -0.0000003165
 Unscaled step for mode   83=        0.0000000969
 Unscaled step for mode   84=       -0.0000003117
 Unscaled step for mode   85=        0.0000002838
 Unscaled step for mode   86=       -0.0000000962
 Unscaled step for mode   87=        0.0000002607
 Unscaled step for mode   88=        0.0000003660
 Unscaled step for mode   89=       -0.0000005969
 Unscaled step for mode   90=        0.0000006351
 Unscaled step for mode   91=        0.0000000831
 Unscaled step for mode   92=        0.0000011815
 Unscaled step for mode   93=       -0.0000010075
 Unscaled step for mode   94=        0.0000006309
 Unscaled step for mode   95=        0.0000005046
 Unscaled step for mode   96=        0.0000000036
 Unscaled step for mode   97=        0.0000004989
 Unscaled step for mode   98=        0.0000006417
 Unscaled step for mode   99=       -0.0000008250
 Unscaled step for mode  100=       -0.0000007410
 Unscaled step for mode  101=       -0.0000033201
 Unscaled step for mode  102=       -0.0000020535
 Unscaled step for mode  103=        0.0000017937
 Unscaled step for mode  104=        0.0000034106
 Unscaled step for mode  105=        0.0000001842
 Unscaled step for mode  106=        0.0000008577
 Unscaled step for mode  107=       -0.0000348646
 Unscaled step for mode  108=       -0.0000451621
 Unscaled step for mode  109=        0.0000060768
 Unscaled step for mode  110=       -0.0011086540
 Unscaled step for mode  111=       -0.0000065813
 Unscaled step for mode  112=        0.0036656511
 Unscaled step for mode  113=        0.0128791563
 Unscaled step for mode  114=       -0.2607318272
 Largest modulus ratio of non-zero e/values=           229.7649915    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.485939E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.235120E-14    0.100666E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.441270E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.382805E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.172088E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.146217E-14    0.974231E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.720715E-05    0.745641E+03  0.966571E-08 0.100000E-04    0.884678E+00
   8   -0.892650E-05    0.674407E+03  0.132361E-07 0.100000E-04    0.899491E+00
   9   -0.105898E-04    0.630126E+03  0.168058E-07 0.100000E-04    0.902370E+00
  10    0.973887E-06    0.601127E+03 -0.162010E-08 0.100000E-04    0.968347E+00
  11   -0.136936E-05    0.586580E+03  0.233447E-08 0.100000E-04    0.909702E+00
  12   -0.169797E-04    0.578680E+03  0.293421E-07 0.100000E-04    0.902359E+00
  13   -0.254900E-05    0.565697E+03  0.450594E-08 0.100000E-04    0.839078E+00
  14    0.905603E-05    0.487403E+03 -0.185802E-07 0.100000E-04    0.891657E+00
  15   -0.202147E-05    0.460917E+03  0.438575E-08 0.100000E-04    0.996643E+00
  16    0.346987E-06    0.459972E+03 -0.754366E-09 0.100000E-04    0.997238E+00
  17   -0.652731E-05    0.441779E+03  0.147751E-07 0.100000E-04    0.890412E+00
  18   -0.161532E-05    0.429019E+03  0.376515E-08 0.100000E-04    0.958635E+00
  19   -0.119478E-04    0.422026E+03  0.283106E-07 0.100000E-04    0.891151E+00
  20   -0.222301E-05    0.408268E+03  0.544498E-08 0.100000E-04    0.963873E+00
  21   -0.300221E-05    0.396467E+03  0.757241E-08 0.100000E-04    0.942237E+00
  22   -0.127630E-04    0.387744E+03  0.329160E-07 0.100000E-04    0.908668E+00
  23    0.106136E-04    0.369882E+03 -0.286946E-07 0.100000E-04    0.905104E+00
  24   -0.853515E-05    0.360522E+03  0.236744E-07 0.100000E-04    0.903817E+00
  25   -0.146166E-04    0.349439E+03  0.418289E-07 0.100000E-04    0.882868E+00
  26   -0.186635E-04    0.335187E+03  0.556809E-07 0.100000E-04    0.881175E+00
  27   -0.540321E-05    0.329048E+03  0.164207E-07 0.100000E-04    0.852919E+00
  28    0.216238E-06    0.321907E+03 -0.671740E-09 0.100000E-04    0.631523E+00
  29   -0.170913E-04    0.318953E+03  0.535856E-07 0.100000E-04    0.886411E+00
  30   -0.264719E-04    0.309704E+03  0.854747E-07 0.100000E-04    0.902947E+00
  31   -0.266538E-04    0.300966E+03  0.885607E-07 0.100000E-04    0.890095E+00
  32   -0.201166E-04    0.290473E+03  0.692547E-07 0.100000E-04    0.914897E+00
  33    0.600421E-05    0.278648E+03 -0.215477E-07 0.100000E-04    0.915223E+00
  34   -0.112337E-04    0.272565E+03  0.412147E-07 0.100000E-04    0.899963E+00
  35    0.233129E-04    0.268385E+03 -0.868636E-07 0.100000E-04    0.899533E+00
  36    0.302547E-04    0.264864E+03 -0.114227E-06 0.100000E-04    0.906108E+00
  37    0.372727E-05    0.263524E+03 -0.141439E-07 0.100000E-04    0.815764E+00
  38    0.514500E-05    0.253297E+03 -0.203122E-07 0.100000E-04    0.889330E+00
  39   -0.142875E-04    0.241484E+03  0.591654E-07 0.100000E-04    0.904521E+00
  40   -0.320587E-04    0.240628E+03  0.133230E-06 0.100000E-04    0.903211E+00
  41   -0.360342E-04    0.233830E+03  0.154104E-06 0.100000E-04    0.892295E+00
  42   -0.307550E-04    0.227455E+03  0.135213E-06 0.100000E-04    0.907105E+00
  43   -0.854853E-05    0.217002E+03  0.393938E-07 0.100000E-04    0.854523E+00
  44   -0.466419E-04    0.214878E+03  0.217062E-06 0.100000E-04    0.899180E+00
  45    0.159601E-04    0.213284E+03 -0.748299E-07 0.100000E-04    0.916025E+00
  46    0.313039E-04    0.207547E+03 -0.150828E-06 0.100000E-04    0.898152E+00
  47   -0.207674E-04    0.203094E+03  0.102255E-06 0.100000E-04    0.893120E+00
  48   -0.953485E-05    0.195649E+03  0.487345E-07 0.100000E-04    0.933827E+00
  49    0.275896E-04    0.194770E+03 -0.141652E-06 0.100000E-04    0.890129E+00
  50    0.154092E-04    0.191316E+03 -0.805430E-07 0.100000E-04    0.889481E+00
  51   -0.786891E-05    0.182855E+03  0.430335E-07 0.100000E-04    0.859240E+00
  52   -0.664678E-08    0.174184E+03  0.381595E-10 0.118810E-04    0.179660E-01
  53   -0.915545E-05    0.172299E+03  0.531369E-07 0.100000E-04    0.892769E+00
  54    0.181796E-04    0.168135E+03 -0.108125E-06 0.100000E-04    0.888020E+00
  55   -0.218370E-04    0.163360E+03  0.133674E-06 0.100000E-04    0.905123E+00
  56    0.162295E-04    0.156967E+03 -0.103395E-06 0.100000E-04    0.933382E+00
  57    0.673911E-05    0.154817E+03 -0.435295E-07 0.100000E-04    0.875532E+00
  58    0.238545E-04    0.152264E+03 -0.156666E-06 0.100000E-04    0.905472E+00
  59    0.928347E-05    0.146828E+03 -0.632268E-07 0.100000E-04    0.930127E+00
  60    0.119424E-04    0.143448E+03 -0.832527E-07 0.100000E-04    0.883375E+00
  61   -0.720000E-05    0.137961E+03  0.521887E-07 0.100000E-04    0.884291E+00
  62   -0.186211E-04    0.135877E+03  0.137044E-06 0.100000E-04    0.902679E+00
  63    0.194310E-04    0.130366E+03 -0.149050E-06 0.100000E-04    0.916210E+00
  64    0.233324E-04    0.128779E+03 -0.181181E-06 0.100000E-04    0.888365E+00
  65   -0.396171E-05    0.126846E+03  0.312325E-07 0.100000E-04    0.972359E+00
  66    0.589715E-05    0.124335E+03 -0.474295E-07 0.100000E-04    0.907964E+00
  67    0.310177E-04    0.119978E+03 -0.258528E-06 0.100000E-04    0.909945E+00
  68    0.233810E-06    0.118165E+03 -0.197868E-08 0.100000E-04    0.206161E+02
  69    0.434179E-05    0.116958E+03 -0.371225E-07 0.100000E-04    0.919597E+00
  70   -0.349606E-04    0.110334E+03  0.316861E-06 0.100000E-04    0.892023E+00
  71    0.770343E-05    0.106915E+03 -0.720519E-07 0.100000E-04    0.897266E+00
  72    0.539791E-04    0.104402E+03 -0.517031E-06 0.100000E-04    0.899306E+00
  73   -0.914185E-05    0.102851E+03  0.888847E-07 0.100000E-04    0.867790E+00
  74   -0.827585E-05    0.995712E+02  0.831149E-07 0.100000E-04    0.906106E+00
  75   -0.389792E-04    0.961091E+02  0.405572E-06 0.100000E-04    0.890268E+00
  76    0.623069E-05    0.941648E+02 -0.661679E-07 0.100000E-04    0.887923E+00
  77   -0.456647E-04    0.921217E+02  0.495700E-06 0.100000E-04    0.907706E+00
  78   -0.883168E-05    0.911495E+02  0.968922E-07 0.100000E-04    0.810543E+00
  79    0.660543E-05    0.885458E+02 -0.745990E-07 0.100000E-04    0.949439E+00
  80    0.148322E-04    0.855360E+02 -0.173404E-06 0.100000E-04    0.878424E+00
  81   -0.304152E-04    0.808210E+02  0.376328E-06 0.100000E-04    0.906192E+00
  82    0.254384E-04    0.803678E+02 -0.316525E-06 0.100000E-04    0.891841E+00
  83   -0.755740E-05    0.779989E+02  0.968912E-07 0.100000E-04    0.801018E+00
  84    0.228587E-04    0.733307E+02 -0.311721E-06 0.100000E-04    0.904435E+00
  85   -0.206241E-04    0.726837E+02  0.283752E-06 0.100000E-04    0.903905E+00
  86    0.654305E-05    0.680053E+02 -0.962138E-07 0.100000E-04    0.872836E+00
  87   -0.169101E-04    0.648746E+02  0.260659E-06 0.100000E-04    0.879590E+00
  88   -0.225113E-04    0.614998E+02  0.366038E-06 0.100000E-04    0.938108E+00
  89    0.357507E-04    0.598968E+02 -0.596871E-06 0.100000E-04    0.907101E+00
  90   -0.377263E-04    0.593989E+02  0.635134E-06 0.100000E-04    0.906189E+00
  91   -0.483618E-05    0.582125E+02  0.830780E-07 0.100000E-04    0.688598E+00
  92   -0.660625E-04    0.559131E+02  0.118152E-05 0.100000E-04    0.899810E+00
  93    0.528839E-04    0.524888E+02 -0.100753E-05 0.100000E-04    0.923961E+00
  94   -0.328802E-04    0.521153E+02  0.630912E-06 0.100000E-04    0.903528E+00
  95   -0.252910E-04    0.501251E+02  0.504558E-06 0.100000E-04    0.890301E+00
  96   -0.164612E-06    0.463167E+02  0.355405E-08 0.100000E-04    0.306364E+00
  97   -0.215788E-04    0.432535E+02  0.498891E-06 0.100000E-04    0.899556E+00
  98   -0.262324E-04    0.408805E+02  0.641685E-06 0.100000E-04    0.908666E+00
  99    0.312653E-04    0.378993E+02 -0.824958E-06 0.100000E-04    0.879399E+00
 100    0.269247E-04    0.363339E+02 -0.741037E-06 0.100000E-04    0.852301E+00
 101    0.107599E-03    0.324081E+02 -0.332012E-05 0.100000E-04    0.930016E+00
 102    0.592253E-04    0.288410E+02 -0.205352E-05 0.100000E-04    0.895520E+00
 103   -0.510287E-04    0.284495E+02  0.179366E-05 0.100000E-04    0.906589E+00
 104   -0.896381E-04    0.262825E+02  0.341057E-05 0.100000E-04    0.910508E+00
 105   -0.429241E-05    0.233091E+02  0.184152E-06 0.100000E-04    0.128389E+01
 106   -0.182702E-04    0.213017E+02  0.857685E-06 0.100000E-04    0.933324E+00
 107    0.693785E-03    0.198994E+02 -0.100000E-04 0.100000E-04    0.730580E+00
 108    0.745720E-03    0.165121E+02 -0.100000E-04 0.100000E-04    0.557671E+00
 109   -0.844206E-04    0.138923E+02  0.607680E-05 0.100000E-04    0.922319E+00
 110    0.135675E-01    0.122378E+02 -0.105107E-04 0.105107E-04    0.222941E+00
 111    0.664186E-04    0.100920E+02 -0.658131E-05 0.100000E-04    0.914115E+00
 112   -0.321517E-01    0.877095E+01  0.443558E-04 0.443558E-04    0.413038E+00
 113   -0.741765E-01    0.575847E+01  0.236559E-03 0.236559E-03    0.200326E+00
 114   -0.907852E+00    0.324523E+01 -0.263492E-03 0.263492E-03    0.255523E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2634923897E-03    0.2607318272    

 Beginning of optimization cycle  506.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3017878013
 potential> RMS force:                                               0.0854419810   |gradient|=.9122707176    
 Eigenvalues of the Hessian matrix:
   745.70996    674.39339    630.15929    601.10269    586.56941    578.70283 
   565.65928    487.41088    460.89759    459.96033    441.77489    429.03223 
   422.02257    408.25481    396.46041    387.73069    369.89220    360.52168 
   349.43348    335.19506    329.06552    321.90533    318.95681    309.69098 
   300.95427    290.48137    278.66285    272.57625    268.39485    264.86920 
   263.54541    253.29015    241.48455    240.64091    233.83764    227.45665 
   217.00299    214.87975    213.28304    207.55419    203.08745    195.63636 
   194.77303    191.31803    182.85816    174.19182    172.29915    168.14055 
   163.35070    156.95861    154.82275    152.26523    146.81712    143.44371 
   137.96862    135.87658    130.36212    128.78224    126.84939    124.32108 
   119.97920    118.16494    116.95261    110.33488    106.91052    104.40273 
   102.84896     99.56893     96.11004     94.16223     92.10958     91.15359 
    88.53769     85.53987     80.82096     80.37516     77.99564     73.33006 
    72.67856     68.00042     64.86718     61.48902     59.89328     59.39904 
    58.20600     55.90969     52.48684     52.11040     50.12952     46.30807 
    43.25973     40.88251     37.89813     36.32751     32.39838     28.84318 
    28.44938     26.28131     23.30998     21.30382     19.89455     16.50894 
    13.89292     12.23771     10.09200      8.78321      5.75554      3.24069 
overlap for current and previous eigenvector    109 is         0.9999990306
overlap for current and previous eigenvector    110 is        -0.9999998252
overlap for current and previous eigenvector    111 is         0.9999984728
overlap for current and previous eigenvector    112 is        -0.9999961128
overlap for current and previous eigenvector    113 is        -0.9999932864
overlap for current and previous eigenvector    114 is        -0.9999958475
J1,K1,R1,R2,RAT=   7   7    0.1183386309         1.881475562        0.8814755624    
FOB,PFOB,DIAG,PSTEP=   -0.6354182273E-05   -0.7207145213E-05     745.7099610        0.9665708145E-08
J1,K1,R1,R2,RAT=   8   8    0.1054228439         1.894617704        0.8945771561    
FOB,PFOB,DIAG,PSTEP=   -0.7985459588E-05   -0.8926497235E-05     674.3933873        0.1323606731E-07
J1,K1,R1,R2,RAT=   9   9    0.1099354315         1.889959453        0.8899594529    
FOB,PFOB,DIAG,PSTEP=   -0.9425545597E-05   -0.1058980115E-04     630.1592946        0.1680584234E-07
J1,K1,R1,R2,RAT=  10  10    0.1429359004         1.857146000        0.8570640996    
FOB,PFOB,DIAG,PSTEP=    0.8346889245E-06    0.9738865794E-06     601.1026927       -0.1620100379E-08
J1,K1,R1,R2,RAT=  11  11    0.6828759028E-01     1.931748625        0.9317124097    
FOB,PFOB,DIAG,PSTEP=   -0.1275846896E-05   -0.1369355167E-05     586.5694064        0.2334472880E-08
J1,K1,R1,R2,RAT= 109 109    0.1118457639         1.888062312        0.8880623120    
FOB,PFOB,DIAG,PSTEP=   -0.7497810900E-04   -0.8442063321E-04     13.89292256        0.6076800124E-05
J1,K1,R1,R2,RAT= 110 110     209.7299833         1.227461659        0.2274616593    
FOB,PFOB,DIAG,PSTEP=   -0.1340957480E-01    0.1356746008E-01     12.23770993       -0.1051074588E-04
J1,K1,R1,R2,RAT= 111 111    0.1003091022         1.899691779        0.8996908978    
FOB,PFOB,DIAG,PSTEP=    0.5975618938E-04    0.6641857397E-04     10.09200160       -0.6581305407E-05
J1,K1,R1,R2,RAT= 112 112     165.6344346       -0.5788611347        0.4211388653    
FOB,PFOB,DIAG,PSTEP=    0.3237718530E-01   -0.3215166911E-01     8.783207528        0.4435577596E-04
J1,K1,R1,R2,RAT= 113 113     109.7748666       -0.8140381530        0.1859618470    
FOB,PFOB,DIAG,PSTEP=    0.7528484890E-01   -0.7417651458E-01     5.755543992        0.2365590918E-03
J1,K1,R1,R2,RAT= 114 114    -2127.113251        0.7385408604        0.2614591396    
FOB,PFOB,DIAG,PSTEP=    0.9084826481       -0.9078520106         3.240687701       -0.2634923897E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00002 
    -0.00000      0.00001     -0.00000      0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00001 
    -0.00001     -0.00002     -0.00000      0.00000     -0.00002     -0.00002 
    -0.00002     -0.00002      0.00001     -0.00001      0.00002      0.00003 
     0.00000      0.00000     -0.00001     -0.00003     -0.00003     -0.00003 
    -0.00001     -0.00004      0.00001      0.00003     -0.00002     -0.00001 
     0.00002      0.00001     -0.00001     -0.00000      0.00001     -0.00002 
    -0.00002      0.00001      0.00001      0.00002      0.00001      0.00001 
     0.00001      0.00002      0.00002      0.00002      0.00000     -0.00001 
     0.00003     -0.00000      0.00000      0.00003     -0.00001      0.00005 
     0.00001      0.00001     -0.00003      0.00001      0.00004      0.00001 
     0.00001     -0.00001      0.00003     -0.00002      0.00001     -0.00002 
    -0.00002     -0.00001     -0.00001      0.00002      0.00003      0.00003 
     0.00000      0.00006      0.00005     -0.00003     -0.00002     -0.00000 
     0.00002      0.00002     -0.00003     -0.00002      0.00010      0.00005 
    -0.00005      0.00008      0.00000     -0.00002      0.00073     -0.00080 
    -0.00007     -0.01341      0.00006      0.03238      0.07528      0.90848 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3858722191
 Log product of positive Hessian eigenvalues =          519.0817932063
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2406877007
 Unscaled step for mode    7=        0.0000000085
 Unscaled step for mode    8=        0.0000000118
 Unscaled step for mode    9=        0.0000000150
 Unscaled step for mode   10=       -0.0000000014
 Unscaled step for mode   11=        0.0000000022
 Unscaled step for mode   12=        0.0000000261
 Unscaled step for mode   13=        0.0000000040
 Unscaled step for mode   14=       -0.0000000166
 Unscaled step for mode   15=        0.0000000039
 Unscaled step for mode   16=       -0.0000000008
 Unscaled step for mode   17=        0.0000000130
 Unscaled step for mode   18=        0.0000000034
 Unscaled step for mode   19=        0.0000000252
 Unscaled step for mode   20=        0.0000000049
 Unscaled step for mode   21=        0.0000000068
 Unscaled step for mode   22=        0.0000000295
 Unscaled step for mode   23=       -0.0000000257
 Unscaled step for mode   24=        0.0000000211
 Unscaled step for mode   25=        0.0000000374
 Unscaled step for mode   26=        0.0000000493
 Unscaled step for mode   27=        0.0000000146
 Unscaled step for mode   28=       -0.0000000006
 Unscaled step for mode   29=        0.0000000475
 Unscaled step for mode   30=        0.0000000771
 Unscaled step for mode   31=        0.0000000793
 Unscaled step for mode   32=        0.0000000623
 Unscaled step for mode   33=       -0.0000000191
 Unscaled step for mode   34=        0.0000000366
 Unscaled step for mode   35=       -0.0000000780
 Unscaled step for mode   36=       -0.0000001029
 Unscaled step for mode   37=       -0.0000000120
 Unscaled step for mode   38=       -0.0000000181
 Unscaled step for mode   39=        0.0000000536
 Unscaled step for mode   40=        0.0000001194
 Unscaled step for mode   41=        0.0000001376
 Unscaled step for mode   42=        0.0000001218
 Unscaled step for mode   43=        0.0000000344
 Unscaled step for mode   44=        0.0000001947
 Unscaled step for mode   45=       -0.0000000679
 Unscaled step for mode   46=       -0.0000001352
 Unscaled step for mode   47=        0.0000000914
 Unscaled step for mode   48=        0.0000000444
 Unscaled step for mode   49=       -0.0000001272
 Unscaled step for mode   50=       -0.0000000731
 Unscaled step for mode   51=        0.0000000381
 Unscaled step for mode   52=        0.0000000005
 Unscaled step for mode   53=       -0.0000000475
 Unscaled step for mode   54=        0.0000000971
 Unscaled step for mode   55=        0.0000001207
 Unscaled step for mode   56=       -0.0000000927
 Unscaled step for mode   57=       -0.0000000393
 Unscaled step for mode   58=       -0.0000001414
 Unscaled step for mode   59=       -0.0000000568
 Unscaled step for mode   60=       -0.0000000750
 Unscaled step for mode   61=       -0.0000000455
 Unscaled step for mode   62=       -0.0000001228
 Unscaled step for mode   63=       -0.0000001365
 Unscaled step for mode   64=       -0.0000001607
 Unscaled step for mode   65=       -0.0000000289
 Unscaled step for mode   66=        0.0000000433
 Unscaled step for mode   67=       -0.0000002336
 Unscaled step for mode   68=        0.0000000021
 Unscaled step for mode   69=       -0.0000000342
 Unscaled step for mode   70=       -0.0000002855
 Unscaled step for mode   71=        0.0000000638
 Unscaled step for mode   72=       -0.0000004625
 Unscaled step for mode   73=       -0.0000000783
 Unscaled step for mode   74=       -0.0000000752
 Unscaled step for mode   75=        0.0000003620
 Unscaled step for mode   76=       -0.0000000612
 Unscaled step for mode   77=       -0.0000004483
 Unscaled step for mode   78=       -0.0000000883
 Unscaled step for mode   79=       -0.0000000676
 Unscaled step for mode   80=        0.0000001554
 Unscaled step for mode   81=       -0.0000003406
 Unscaled step for mode   82=        0.0000002839
 Unscaled step for mode   83=       -0.0000000878
 Unscaled step for mode   84=        0.0000002781
 Unscaled step for mode   85=        0.0000002578
 Unscaled step for mode   86=        0.0000000868
 Unscaled step for mode   87=        0.0000002300
 Unscaled step for mode   88=       -0.0000003267
 Unscaled step for mode   89=       -0.0000005398
 Unscaled step for mode   90=       -0.0000005728
 Unscaled step for mode   91=       -0.0000000644
 Unscaled step for mode   92=       -0.0000010701
 Unscaled step for mode   93=       -0.0000009167
 Unscaled step for mode   94=        0.0000005667
 Unscaled step for mode   95=        0.0000004590
 Unscaled step for mode   96=        0.0000000105
 Unscaled step for mode   97=       -0.0000004547
 Unscaled step for mode   98=       -0.0000005805
 Unscaled step for mode   99=        0.0000007295
 Unscaled step for mode  100=        0.0000006603
 Unscaled step for mode  101=       -0.0000030571
 Unscaled step for mode  102=       -0.0000018333
 Unscaled step for mode  103=        0.0000016035
 Unscaled step for mode  104=       -0.0000030035
 Unscaled step for mode  105=       -0.0000002074
 Unscaled step for mode  106=        0.0000007448
 Unscaled step for mode  107=       -0.0000365210
 Unscaled step for mode  108=        0.0000484072
 Unscaled step for mode  109=        0.0000053969
 Unscaled step for mode  110=        0.0010957572
 Unscaled step for mode  111=       -0.0000059211
 Unscaled step for mode  112=       -0.0036862098
 Unscaled step for mode  113=       -0.0130781682
 Unscaled step for mode  114=        0.2612089878
 Largest modulus ratio of non-zero e/values=           230.1085541    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.336753E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.177446E-14    0.100665E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.103802E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.206622E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.529389E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.140141E-14    0.974234E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.635418E-05    0.745710E+03  0.852098E-08 0.100000E-04    0.881476E+00
   8   -0.798546E-05    0.674393E+03  0.118410E-07 0.100000E-04    0.894577E+00
   9   -0.942555E-05    0.630159E+03  0.149574E-07 0.100000E-04    0.889959E+00
  10    0.834689E-06    0.601103E+03 -0.138860E-08 0.100000E-04    0.857064E+00
  11   -0.127585E-05    0.586569E+03  0.217510E-08 0.100000E-04    0.931712E+00
  12   -0.151145E-04    0.578703E+03  0.261179E-07 0.100000E-04    0.890077E+00
  13   -0.224889E-05    0.565659E+03  0.397569E-08 0.100000E-04    0.882256E+00
  14    0.806712E-05    0.487411E+03 -0.165510E-07 0.100000E-04    0.890769E+00
  15   -0.178102E-05    0.460898E+03  0.386424E-08 0.100000E-04    0.881049E+00
  16    0.356952E-06    0.459960E+03 -0.776050E-09 0.100000E-04    0.971280E+00
  17   -0.572633E-05    0.441775E+03  0.129621E-07 0.100000E-04    0.877286E+00
  18   -0.147532E-05    0.429032E+03  0.343871E-08 0.100000E-04    0.913267E+00
  19   -0.106456E-04    0.422023E+03  0.252252E-07 0.100000E-04    0.891009E+00
  20   -0.201952E-05    0.408255E+03  0.494670E-08 0.100000E-04    0.908456E+00
  21   -0.270796E-05    0.396460E+03  0.683034E-08 0.100000E-04    0.901987E+00
  22   -0.114532E-04    0.387731E+03  0.295389E-07 0.100000E-04    0.897369E+00
  23    0.949097E-05    0.369892E+03 -0.256588E-07 0.100000E-04    0.894173E+00
  24   -0.761299E-05    0.360522E+03  0.211166E-07 0.100000E-04    0.891958E+00
  25   -0.130768E-04    0.349433E+03  0.374228E-07 0.100000E-04    0.894647E+00
  26   -0.165367E-04    0.335195E+03  0.493345E-07 0.100000E-04    0.885999E+00
  27   -0.480596E-05    0.329066E+03  0.146049E-07 0.100000E-04    0.889364E+00
  28    0.193110E-06    0.321905E+03 -0.599897E-09 0.100000E-04    0.893044E+00
  29   -0.151512E-04    0.318957E+03  0.475025E-07 0.100000E-04    0.886469E+00
  30   -0.238823E-04    0.309691E+03  0.771165E-07 0.100000E-04    0.902172E+00
  31   -0.238741E-04    0.300954E+03  0.793280E-07 0.100000E-04    0.895707E+00
  32   -0.180871E-04    0.290481E+03  0.622660E-07 0.100000E-04    0.899059E+00
  33    0.531992E-05    0.278663E+03 -0.190909E-07 0.100000E-04    0.885930E+00
  34   -0.997328E-05    0.272576E+03  0.365889E-07 0.100000E-04    0.887723E+00
  35    0.209298E-04    0.268395E+03 -0.779812E-07 0.100000E-04    0.897706E+00
  36    0.272648E-04    0.264869E+03 -0.102937E-06 0.100000E-04    0.901142E+00
  37    0.316624E-05    0.263545E+03 -0.120140E-07 0.100000E-04    0.849330E+00
  38    0.459235E-05    0.253290E+03 -0.181308E-07 0.100000E-04    0.892581E+00
  39   -0.129385E-04    0.241485E+03  0.535792E-07 0.100000E-04    0.905582E+00
  40   -0.287442E-04    0.240641E+03  0.119449E-06 0.100000E-04    0.896508E+00
  41   -0.321757E-04    0.233838E+03  0.137599E-06 0.100000E-04    0.892862E+00
  42   -0.277032E-04    0.227457E+03  0.121795E-06 0.100000E-04    0.900758E+00
  43   -0.746862E-05    0.217003E+03  0.344171E-07 0.100000E-04    0.873662E+00
  44   -0.418342E-04    0.214880E+03  0.194686E-06 0.100000E-04    0.896910E+00
  45    0.144760E-04    0.213283E+03 -0.678722E-07 0.100000E-04    0.907013E+00
  46    0.280649E-04    0.207554E+03 -0.135217E-06 0.100000E-04    0.896465E+00
  47   -0.185659E-04    0.203087E+03  0.914182E-07 0.100000E-04    0.893990E+00
  48   -0.867876E-05    0.195636E+03  0.443617E-07 0.100000E-04    0.910209E+00
  49    0.247845E-04    0.194773E+03 -0.127248E-06 0.100000E-04    0.898299E+00
  50    0.139899E-04    0.191318E+03 -0.731238E-07 0.100000E-04    0.907874E+00
  51   -0.696911E-05    0.182858E+03  0.381121E-07 0.100000E-04    0.885623E+00
  52   -0.832203E-07    0.174192E+03  0.477751E-09 0.107036E-04    0.105199E+02
  53    0.818775E-05    0.172299E+03 -0.475205E-07 0.100000E-04    0.894303E+00
  54   -0.163336E-04    0.168141E+03  0.971428E-07 0.100000E-04    0.898395E+00
  55   -0.197197E-04    0.163351E+03  0.120720E-06 0.100000E-04    0.903038E+00
  56    0.145560E-04    0.156959E+03 -0.927379E-07 0.100000E-04    0.896882E+00
  57    0.607913E-05    0.154823E+03 -0.392651E-07 0.100000E-04    0.901999E+00
  58    0.215328E-04    0.152265E+03 -0.141416E-06 0.100000E-04    0.902654E+00
  59    0.834291E-05    0.146817E+03 -0.568252E-07 0.100000E-04    0.898677E+00
  60    0.107574E-04    0.143444E+03 -0.749942E-07 0.100000E-04    0.900772E+00
  61    0.628444E-05    0.137969E+03 -0.455498E-07 0.100000E-04    0.872736E+00
  62    0.166867E-04    0.135877E+03 -0.122808E-06 0.100000E-04    0.896114E+00
  63    0.178005E-04    0.130362E+03 -0.136546E-06 0.100000E-04    0.916082E+00
  64    0.206899E-04    0.128782E+03 -0.160658E-06 0.100000E-04    0.886701E+00
  65    0.366795E-05    0.126849E+03 -0.289158E-07 0.100000E-04    0.925799E+00
  66   -0.538248E-05    0.124321E+03  0.432950E-07 0.100000E-04    0.912715E+00
  67    0.280245E-04    0.119979E+03 -0.233578E-06 0.100000E-04    0.903483E+00
  68   -0.247180E-06    0.118165E+03  0.209182E-08 0.100000E-04    0.942816E+00
  69    0.399960E-05    0.116953E+03 -0.341985E-07 0.100000E-04    0.921184E+00
  70    0.314996E-04    0.110335E+03 -0.285491E-06 0.100000E-04    0.900991E+00
  71   -0.681594E-05    0.106911E+03  0.637537E-07 0.100000E-04    0.884788E+00
  72    0.482911E-04    0.104403E+03 -0.462547E-06 0.100000E-04    0.894613E+00
  73    0.805738E-05    0.102849E+03 -0.783419E-07 0.100000E-04    0.881371E+00
  74    0.748773E-05    0.995689E+02 -0.752015E-07 0.100000E-04    0.904767E+00
  75   -0.347875E-04    0.961100E+02  0.361955E-06 0.100000E-04    0.892444E+00
  76    0.576341E-05    0.941622E+02 -0.612072E-07 0.100000E-04    0.925001E+00
  77    0.412938E-04    0.921096E+02 -0.448312E-06 0.100000E-04    0.904272E+00
  78    0.804644E-05    0.911536E+02 -0.882734E-07 0.100000E-04    0.911003E+00
  79    0.598685E-05    0.885377E+02 -0.676192E-07 0.100000E-04    0.906343E+00
  80   -0.132909E-04    0.855399E+02  0.155377E-06 0.100000E-04    0.895996E+00
  81    0.275307E-04    0.808210E+02 -0.340638E-06 0.100000E-04    0.905164E+00
  82   -0.228150E-04    0.803752E+02  0.283857E-06 0.100000E-04    0.896700E+00
  83    0.684668E-05    0.779956E+02 -0.877829E-07 0.100000E-04    0.905953E+00
  84   -0.203942E-04    0.733301E+02  0.278116E-06 0.100000E-04    0.892185E+00
  85   -0.187354E-04    0.726786E+02  0.257784E-06 0.100000E-04    0.908414E+00
  86   -0.590484E-05    0.680004E+02  0.868354E-07 0.100000E-04    0.902453E+00
  87   -0.149207E-04    0.648672E+02  0.230020E-06 0.100000E-04    0.882341E+00
  88    0.200868E-04    0.614890E+02 -0.326673E-06 0.100000E-04    0.892281E+00
  89    0.323275E-04    0.598933E+02 -0.539751E-06 0.100000E-04    0.904243E+00
  90    0.340240E-04    0.593990E+02 -0.572803E-06 0.100000E-04    0.901858E+00
  91    0.374839E-05    0.582060E+02 -0.643987E-07 0.100000E-04    0.775048E+00
  92    0.598291E-04    0.559097E+02 -0.107010E-05 0.100000E-04    0.905638E+00
  93    0.481167E-04    0.524868E+02 -0.916739E-06 0.100000E-04    0.909853E+00
  94   -0.295296E-04    0.521104E+02  0.566674E-06 0.100000E-04    0.898088E+00
  95   -0.230108E-04    0.501295E+02  0.459027E-06 0.100000E-04    0.909671E+00
  96   -0.485062E-06    0.463081E+02  0.104747E-07 0.100000E-04    0.947065E+00
  97    0.196718E-04    0.432597E+02 -0.454737E-06 0.100000E-04    0.911353E+00
  98    0.237316E-04    0.408825E+02 -0.580482E-06 0.100000E-04    0.904572E+00
  99   -0.276477E-04    0.378981E+02  0.729526E-06 0.100000E-04    0.884289E+00
 100   -0.239853E-04    0.363275E+02  0.660251E-06 0.100000E-04    0.890808E+00
 101    0.990458E-04    0.323984E+02 -0.305712E-05 0.100000E-04    0.920486E+00
 102    0.528774E-04    0.288432E+02 -0.183327E-05 0.100000E-04    0.892672E+00
 103   -0.456174E-04    0.284494E+02  0.160346E-05 0.100000E-04    0.893954E+00
 104    0.789365E-04    0.262813E+02 -0.300352E-05 0.100000E-04    0.880607E+00
 105    0.483540E-05    0.233100E+02 -0.207439E-06 0.100000E-04    0.873504E+00
 106   -0.158674E-04    0.213038E+02  0.744817E-06 0.100000E-04    0.868305E+00
 107    0.726570E-03    0.198946E+02 -0.100000E-04 0.100000E-04    0.835209E+00
 108   -0.799152E-03    0.165089E+02  0.100000E-04 0.100000E-04    0.676346E+00
 109   -0.749781E-04    0.138929E+02  0.539686E-05 0.100000E-04    0.888062E+00
 110   -0.134096E-01    0.122377E+02  0.100000E-04 0.100000E-04    0.227462E+00
 111    0.597562E-04    0.100920E+02 -0.592114E-05 0.100000E-04    0.899691E+00
 112    0.323772E-01    0.878321E+01 -0.399602E-04 0.399602E-04    0.421139E+00
 113    0.752848E-01    0.575554E+01 -0.257849E-03 0.257849E-03    0.185962E+00
 114    0.908483E+00    0.324069E+01  0.237381E-03 0.237381E-03    0.261459E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2578494100E-03    0.2612089878    

 Beginning of optimization cycle  507.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3015927096
 potential> RMS force:                                               0.0855008847   |gradient|=.9128996365    
 Eigenvalues of the Hessian matrix:
   745.77606    674.37705    630.19245    601.08000    586.55819    578.72448 
   565.61896    487.41609    460.87944    459.94918    441.76953    429.04802 
   422.01931    408.24034    396.45385    387.71780    369.90171    360.52248 
   349.42901    335.20328    329.08217    321.90307    318.96283    309.67800 
   300.94408    290.48895    278.67901    272.58730    268.40501    264.87417 
   263.56641    253.28449    241.48605    240.65361    233.84591    227.45963 
   217.00609    214.88090    213.28137    207.56129    203.08105    195.62425 
   194.77716    191.32036    182.86216    174.20003    172.29938    168.14645 
   163.34200    156.95129    154.82858    152.26612    146.80645    143.43887 
   137.97626    135.87598    130.35802    128.78555    126.85228    124.30659 
   119.98035    118.16506    116.94645    110.33582    106.90599    104.40344 
   102.84735     99.56658     96.11026     94.15922     92.09865     91.15782 
    88.52968     85.54394     80.82109     80.38297     77.99230     73.32864 
    72.67255     67.99493     64.85967     61.47901     59.88981     59.39891 
    58.19971     55.90592     52.48476     52.10510     50.13422     46.29959 
    43.26605     40.88422     37.89652     36.32005     32.38931     28.84545 
    28.44940     26.28075     23.31088     21.30538     19.89041     16.50590 
    13.89351     12.23761     10.09196      8.79633      5.75335      3.23642 
overlap for current and previous eigenvector    109 is         0.9999989157
overlap for current and previous eigenvector    110 is        -0.9999997957
overlap for current and previous eigenvector    111 is        -0.9999982043
overlap for current and previous eigenvector    112 is        -0.9999954906
overlap for current and previous eigenvector    113 is         0.9999925275
overlap for current and previous eigenvector    114 is         0.9999953764
J1,K1,R1,R2,RAT=   7   7    0.1016112383         1.898211489        0.8982114887    
FOB,PFOB,DIAG,PSTEP=   -0.5708468710E-05   -0.6354182273E-05     745.7760640        0.8520983500E-08
J1,K1,R1,R2,RAT=   8   8    0.6080053479E-01     1.939247929        0.9391994652    
FOB,PFOB,DIAG,PSTEP=   -0.7499951140E-05   -0.7985459588E-05     674.3770459        0.1184095179E-07
J1,K1,R1,R2,RAT=   9   9   -0.7865128569E-02     2.007759913        0.9921348714    
FOB,PFOB,DIAG,PSTEP=   -0.9499682626E-05   -0.9425545597E-05     630.1924478        0.1495740153E-07
J1,K1,R1,R2,RAT=  10  10    0.6926578013         1.307417708        0.3073421987    
FOB,PFOB,DIAG,PSTEP=    0.2565569564E-06    0.8346889245E-06     601.0799993       -0.1388596216E-08
J1,K1,R1,R2,RAT=  11  11    0.2525476796         1.747490554        0.7474523204    
FOB,PFOB,DIAG,PSTEP=   -0.9536408822E-06   -0.1275846896E-05     586.5581932        0.2175099624E-08
J1,K1,R1,R2,RAT= 109 109    0.4234054505E-01     1.957574258        0.9575742576    
FOB,PFOB,DIAG,PSTEP=   -0.7180335976E-04   -0.7497810900E-04     13.89351440        0.5396856470E-05
J1,K1,R1,R2,RAT= 110 110     217.6761719         1.477234245        0.4772342447    
FOB,PFOB,DIAG,PSTEP=    0.1322879657E-01   -0.1340957480E-01     12.23761477        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.897638376        0.1023707744        0.8976292256    
FOB,PFOB,DIAG,PSTEP=   -0.5363892999E-04    0.5975618938E-04     10.09195543       -0.5921143470E-05
J1,K1,R1,R2,RAT= 112 112     184.9989263       -0.7773254684        0.2226745316    
FOB,PFOB,DIAG,PSTEP=   -0.3265041721E-01    0.3237718530E-01     8.796326318       -0.3996015852E-04
J1,K1,R1,R2,RAT= 113 113   -0.7618204341         102.2582669        0.2381795659    
FOB,PFOB,DIAG,PSTEP=    0.7641500741E-01    0.7528484890E-01     5.753347410       -0.2578494100E-03
J1,K1,R1,R2,RAT= 114 114    0.6898849139        -2365.720782        0.3101150861    
FOB,PFOB,DIAG,PSTEP=    0.9090126610        0.9084826481         3.236418807        0.2373805312E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00000     -0.00001     -0.00002 
    -0.00002     -0.00002      0.00000     -0.00001      0.00002      0.00003 
     0.00000      0.00000     -0.00001     -0.00003     -0.00003     -0.00003 
    -0.00001     -0.00004      0.00001      0.00003     -0.00002     -0.00001 
     0.00002      0.00002     -0.00001     -0.00000     -0.00001     -0.00001 
     0.00002     -0.00001     -0.00000      0.00002     -0.00001      0.00001 
     0.00000      0.00002     -0.00002      0.00002     -0.00001     -0.00001 
     0.00003     -0.00000     -0.00000      0.00003      0.00001      0.00004 
    -0.00001     -0.00001     -0.00003      0.00001      0.00004      0.00001 
     0.00001      0.00001      0.00003      0.00002      0.00001      0.00001 
     0.00002     -0.00000     -0.00001      0.00002     -0.00003      0.00003 
    -0.00000      0.00006      0.00005     -0.00003     -0.00003      0.00000 
     0.00003     -0.00002      0.00002      0.00002     -0.00011      0.00004 
     0.00004     -0.00006     -0.00002     -0.00002      0.00078      0.00087 
    -0.00007      0.01323     -0.00005     -0.03265      0.07642      0.90901 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3857377466
 Log product of positive Hessian eigenvalues =          519.0800860487
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2364188068
 Unscaled step for mode    7=        0.0000000077
 Unscaled step for mode    8=        0.0000000111
 Unscaled step for mode    9=        0.0000000151
 Unscaled step for mode   10=       -0.0000000004
 Unscaled step for mode   11=        0.0000000016
 Unscaled step for mode   12=        0.0000000258
 Unscaled step for mode   13=        0.0000000038
 Unscaled step for mode   14=       -0.0000000163
 Unscaled step for mode   15=        0.0000000049
 Unscaled step for mode   16=        0.0000000009
 Unscaled step for mode   17=        0.0000000150
 Unscaled step for mode   18=        0.0000000045
 Unscaled step for mode   19=        0.0000000210
 Unscaled step for mode   20=        0.0000000059
 Unscaled step for mode   21=        0.0000000080
 Unscaled step for mode   22=        0.0000000272
 Unscaled step for mode   23=       -0.0000000268
 Unscaled step for mode   24=        0.0000000197
 Unscaled step for mode   25=        0.0000000318
 Unscaled step for mode   26=        0.0000000407
 Unscaled step for mode   27=        0.0000000097
 Unscaled step for mode   28=        0.0000000032
 Unscaled step for mode   29=        0.0000000371
 Unscaled step for mode   30=        0.0000000747
 Unscaled step for mode   31=        0.0000000757
 Unscaled step for mode   32=        0.0000000602
 Unscaled step for mode   33=       -0.0000000132
 Unscaled step for mode   34=        0.0000000288
 Unscaled step for mode   35=       -0.0000000730
 Unscaled step for mode   36=       -0.0000000957
 Unscaled step for mode   37=       -0.0000000057
 Unscaled step for mode   38=       -0.0000000161
 Unscaled step for mode   39=        0.0000000456
 Unscaled step for mode   40=        0.0000001086
 Unscaled step for mode   41=        0.0000001233
 Unscaled step for mode   42=        0.0000001180
 Unscaled step for mode   43=        0.0000000310
 Unscaled step for mode   44=        0.0000001828
 Unscaled step for mode   45=       -0.0000000623
 Unscaled step for mode   46=       -0.0000001235
 Unscaled step for mode   47=        0.0000000854
 Unscaled step for mode   48=        0.0000000515
 Unscaled step for mode   49=       -0.0000001191
 Unscaled step for mode   50=       -0.0000000846
 Unscaled step for mode   51=        0.0000000304
 Unscaled step for mode   52=        0.0000000071
 Unscaled step for mode   53=        0.0000000407
 Unscaled step for mode   54=        0.0000000860
 Unscaled step for mode   55=       -0.0000001106
 Unscaled step for mode   56=        0.0000000904
 Unscaled step for mode   57=        0.0000000274
 Unscaled step for mode   58=       -0.0000001295
 Unscaled step for mode   59=        0.0000000522
 Unscaled step for mode   60=       -0.0000000600
 Unscaled step for mode   61=       -0.0000000146
 Unscaled step for mode   62=       -0.0000001162
 Unscaled step for mode   63=        0.0000001562
 Unscaled step for mode   64=       -0.0000001277
 Unscaled step for mode   65=        0.0000000520
 Unscaled step for mode   66=        0.0000000521
 Unscaled step for mode   67=       -0.0000002277
 Unscaled step for mode   68=        0.0000000083
 Unscaled step for mode   69=        0.0000000243
 Unscaled step for mode   70=       -0.0000002737
 Unscaled step for mode   71=       -0.0000000675
 Unscaled step for mode   72=       -0.0000003899
 Unscaled step for mode   73=        0.0000000598
 Unscaled step for mode   74=        0.0000000607
 Unscaled step for mode   75=        0.0000002976
 Unscaled step for mode   76=       -0.0000000650
 Unscaled step for mode   77=       -0.0000003978
 Unscaled step for mode   78=       -0.0000000719
 Unscaled step for mode   79=       -0.0000000668
 Unscaled step for mode   80=       -0.0000001508
 Unscaled step for mode   81=       -0.0000003156
 Unscaled step for mode   82=       -0.0000002774
 Unscaled step for mode   83=       -0.0000000910
 Unscaled step for mode   84=       -0.0000001886
 Unscaled step for mode   85=       -0.0000002986
 Unscaled step for mode   86=        0.0000000468
 Unscaled step for mode   87=        0.0000001425
 Unscaled step for mode   88=       -0.0000002917
 Unscaled step for mode   89=        0.0000005379
 Unscaled step for mode   90=       -0.0000005410
 Unscaled step for mode   91=        0.0000000569
 Unscaled step for mode   92=       -0.0000010512
 Unscaled step for mode   93=       -0.0000008783
 Unscaled step for mode   94=        0.0000004832
 Unscaled step for mode   95=        0.0000005068
 Unscaled step for mode   96=       -0.0000000732
 Unscaled step for mode   97=       -0.0000006125
 Unscaled step for mode   98=        0.0000004208
 Unscaled step for mode   99=       -0.0000004306
 Unscaled step for mode  100=       -0.0000004848
 Unscaled step for mode  101=        0.0000033267
 Unscaled step for mode  102=       -0.0000014492
 Unscaled step for mode  103=       -0.0000015080
 Unscaled step for mode  104=        0.0000024000
 Unscaled step for mode  105=        0.0000006504
 Unscaled step for mode  106=        0.0000009905
 Unscaled step for mode  107=       -0.0000391406
 Unscaled step for mode  108=       -0.0000527959
 Unscaled step for mode  109=        0.0000051681
 Unscaled step for mode  110=       -0.0010809934
 Unscaled step for mode  111=        0.0000053150
 Unscaled step for mode  112=        0.0037117731
 Unscaled step for mode  113=       -0.0132794922
 Unscaled step for mode  114=        0.2616424616
 Largest modulus ratio of non-zero e/values=           230.4324961    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.583301E-16    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.249871E-14    0.100665E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.347812E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.444949E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.402375E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.334138E-15    0.974237E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.570847E-05    0.745776E+03  0.765440E-08 0.100000E-04    0.898211E+00
   8   -0.749995E-05    0.674377E+03  0.111213E-07 0.100000E-04    0.939199E+00
   9   -0.949968E-05    0.630192E+03  0.150743E-07 0.100000E-04    0.992135E+00
  10    0.256557E-06    0.601080E+03 -0.426827E-09 0.100000E-04    0.307342E+00
  11   -0.953641E-06    0.586558E+03  0.162582E-08 0.100000E-04    0.747452E+00
  12   -0.149162E-04    0.578724E+03  0.257743E-07 0.100000E-04    0.986804E+00
  13   -0.213689E-05    0.565619E+03  0.377796E-08 0.100000E-04    0.950194E+00
  14    0.795467E-05    0.487416E+03 -0.163201E-07 0.100000E-04    0.986040E+00
  15   -0.225875E-05    0.460879E+03  0.490097E-08 0.100000E-04    0.731752E+00
  16   -0.420951E-06    0.459949E+03  0.915212E-09 0.100000E-04    0.820704E+00
  17   -0.662296E-05    0.441770E+03  0.149919E-07 0.100000E-04    0.843418E+00
  18   -0.193151E-05    0.429048E+03  0.450184E-08 0.100000E-04    0.690795E+00
  19   -0.887430E-05    0.422019E+03  0.210282E-07 0.100000E-04    0.833611E+00
  20   -0.239552E-05    0.408240E+03  0.586792E-08 0.100000E-04    0.813808E+00
  21   -0.317632E-05    0.396454E+03  0.801183E-08 0.100000E-04    0.827040E+00
  22   -0.105295E-04    0.387718E+03  0.271577E-07 0.100000E-04    0.919352E+00
  23    0.991297E-05    0.369902E+03 -0.267989E-07 0.100000E-04    0.955538E+00
  24   -0.710169E-05    0.360522E+03  0.196983E-07 0.100000E-04    0.932834E+00
  25   -0.111115E-04    0.349429E+03  0.317990E-07 0.100000E-04    0.849710E+00
  26   -0.136302E-04    0.335203E+03  0.406625E-07 0.100000E-04    0.824195E+00
  27   -0.318825E-05    0.329082E+03  0.968831E-08 0.100000E-04    0.663311E+00
  28   -0.103032E-05    0.321903E+03  0.320073E-08 0.100000E-04    0.333546E+01
  29   -0.118361E-04    0.318963E+03  0.371081E-07 0.100000E-04    0.781164E+00
  30   -0.231332E-04    0.309678E+03  0.747008E-07 0.100000E-04    0.968633E+00
  31   -0.227795E-04    0.300944E+03  0.756934E-07 0.100000E-04    0.954149E+00
  32   -0.174956E-04    0.290489E+03  0.602280E-07 0.100000E-04    0.967243E+00
  33    0.367289E-05    0.278679E+03 -0.131796E-07 0.100000E-04    0.690304E+00
  34   -0.784832E-05    0.272587E+03  0.287920E-07 0.100000E-04    0.786863E+00
  35    0.196055E-04    0.268405E+03 -0.730445E-07 0.100000E-04    0.936656E+00
  36    0.253386E-04    0.264874E+03 -0.956627E-07 0.100000E-04    0.929315E+00
  37    0.150264E-05    0.263566E+03 -0.570119E-08 0.100000E-04    0.474465E+00
  38    0.408401E-05    0.253284E+03 -0.161242E-07 0.100000E-04    0.889306E+00
  39   -0.110199E-04    0.241486E+03  0.456336E-07 0.100000E-04    0.851698E+00
  40   -0.261439E-04    0.240654E+03  0.108637E-06 0.100000E-04    0.909434E+00
  41   -0.288294E-04    0.233846E+03  0.123284E-06 0.100000E-04    0.895930E+00
  42   -0.268467E-04    0.227460E+03  0.118028E-06 0.100000E-04    0.969058E+00
  43   -0.673677E-05    0.217006E+03  0.310442E-07 0.100000E-04    0.901983E+00
  44   -0.392701E-04    0.214881E+03  0.182753E-06 0.100000E-04    0.938699E+00
  45    0.132887E-04    0.213281E+03 -0.623059E-07 0.100000E-04    0.917980E+00
  46    0.256311E-04    0.207561E+03 -0.123487E-06 0.100000E-04    0.913213E+00
  47   -0.173370E-04    0.203081E+03  0.853699E-07 0.100000E-04    0.933808E+00
  48   -0.100732E-04    0.195624E+03  0.514927E-07 0.100000E-04    0.839314E+00
  49    0.231941E-04    0.194777E+03 -0.119080E-06 0.100000E-04    0.935788E+00
  50    0.161783E-04    0.191320E+03 -0.845611E-07 0.100000E-04    0.843576E+00
  51   -0.556310E-05    0.182862E+03  0.304224E-07 0.100000E-04    0.798212E+00
  52   -0.124390E-05    0.174200E+03  0.714062E-08 0.100000E-04    0.129464E+02
  53   -0.700543E-05    0.172299E+03  0.406585E-07 0.100000E-04    0.855597E+00
  54   -0.144609E-04    0.168146E+03  0.860018E-07 0.100000E-04    0.885279E+00
  55    0.180723E-04    0.163342E+03 -0.110641E-06 0.100000E-04    0.916452E+00
  56   -0.141820E-04    0.156951E+03  0.903594E-07 0.100000E-04    0.974306E+00
  57   -0.424427E-05    0.154829E+03  0.274127E-07 0.100000E-04    0.698106E+00
  58    0.197117E-04    0.152266E+03 -0.129456E-06 0.100000E-04    0.915417E+00
  59   -0.766509E-05    0.146806E+03  0.522122E-07 0.100000E-04    0.918749E+00
  60    0.860647E-05    0.143439E+03 -0.600010E-07 0.100000E-04    0.800041E+00
  61    0.201540E-05    0.137976E+03 -0.146068E-07 0.100000E-04    0.320623E+00
  62    0.157925E-04    0.135876E+03 -0.116227E-06 0.100000E-04    0.946413E+00
  63   -0.203608E-04    0.130358E+03  0.156191E-06 0.100000E-04    0.856160E+00
  64    0.164465E-04    0.128786E+03 -0.127705E-06 0.100000E-04    0.794859E+00
  65   -0.659279E-05    0.126852E+03  0.519722E-07 0.100000E-04    0.202615E+00
  66   -0.647361E-05    0.124307E+03  0.520778E-07 0.100000E-04    0.797258E+00
  67    0.273194E-04    0.119980E+03 -0.227699E-06 0.100000E-04    0.974820E+00
  68   -0.976064E-06    0.118165E+03  0.826018E-08 0.100000E-04    0.194879E+01
  69   -0.284105E-05    0.116946E+03  0.242936E-07 0.100000E-04    0.710318E+00
  70    0.302044E-04    0.110336E+03 -0.273749E-06 0.100000E-04    0.958864E+00
  71    0.721401E-05    0.106906E+03 -0.674799E-07 0.100000E-04    0.941595E+00
  72    0.407076E-04    0.104403E+03 -0.389907E-06 0.100000E-04    0.842949E+00
  73   -0.615024E-05    0.102847E+03  0.597997E-07 0.100000E-04    0.763301E+00
  74   -0.604638E-05    0.995666E+02  0.607270E-07 0.100000E-04    0.807500E+00
  75   -0.286034E-04    0.961103E+02  0.297611E-06 0.100000E-04    0.822229E+00
  76    0.612476E-05    0.941592E+02 -0.650468E-07 0.100000E-04    0.937301E+00
  77    0.366390E-04    0.920987E+02 -0.397824E-06 0.100000E-04    0.887263E+00
  78    0.655623E-05    0.911578E+02 -0.719218E-07 0.100000E-04    0.814715E+00
  79    0.591519E-05    0.885297E+02 -0.668159E-07 0.100000E-04    0.988030E+00
  80    0.128978E-04    0.855439E+02 -0.150774E-06 0.100000E-04    0.970329E+00
  81    0.255045E-04    0.808211E+02 -0.315568E-06 0.100000E-04    0.926399E+00
  82    0.222991E-04    0.803830E+02 -0.277410E-06 0.100000E-04    0.977192E+00
  83    0.709682E-05    0.779923E+02 -0.909939E-07 0.100000E-04    0.963464E+00
  84    0.138327E-04    0.733286E+02 -0.188640E-06 0.100000E-04    0.678259E+00
  85    0.217031E-04    0.726725E+02 -0.298643E-06 0.100000E-04    0.841584E+00
  86   -0.317897E-05    0.679949E+02  0.467531E-07 0.100000E-04    0.538330E+00
  87   -0.924474E-05    0.648597E+02  0.142535E-06 0.100000E-04    0.619546E+00
  88    0.179305E-04    0.614790E+02 -0.291652E-06 0.100000E-04    0.892633E+00
  89   -0.322132E-04    0.598898E+02  0.537875E-06 0.100000E-04    0.996465E+00
  90    0.321343E-04    0.593989E+02 -0.540992E-06 0.100000E-04    0.944461E+00
  91   -0.331302E-05    0.581997E+02  0.569250E-07 0.100000E-04    0.883838E+00
  92    0.587662E-04    0.559059E+02 -0.105116E-05 0.100000E-04    0.982233E+00
  93    0.460959E-04    0.524848E+02 -0.878273E-06 0.100000E-04    0.958001E+00
  94   -0.251758E-04    0.521051E+02  0.483174E-06 0.100000E-04    0.852548E+00
  95   -0.254094E-04    0.501342E+02  0.506827E-06 0.100000E-04    0.895772E+00
  96    0.338964E-05    0.462996E+02 -0.732109E-07 0.100000E-04    0.498915E+01
  97    0.265024E-04    0.432661E+02 -0.612546E-06 0.100000E-04    0.652820E+00
  98   -0.172060E-04    0.408842E+02  0.420847E-06 0.100000E-04    0.724954E+00
  99    0.163190E-04    0.378965E+02 -0.430619E-06 0.100000E-04    0.590230E+00
 100    0.176062E-04    0.363200E+02 -0.484752E-06 0.100000E-04    0.733988E+00
 101   -0.107749E-03    0.323893E+02  0.332667E-05 0.100000E-04    0.912109E+00
 102    0.418015E-04    0.288454E+02 -0.144915E-05 0.100000E-04    0.790395E+00
 103    0.429029E-04    0.284494E+02 -0.150804E-05 0.100000E-04    0.940494E+00
 104   -0.630725E-04    0.262808E+02  0.239995E-05 0.100000E-04    0.799025E+00
 105   -0.151606E-04    0.233109E+02  0.650368E-06 0.100000E-04    0.113526E+01
 106   -0.211038E-04    0.213054E+02  0.990538E-06 0.100000E-04    0.670019E+00
 107    0.778523E-03    0.198904E+02 -0.100000E-04 0.100000E-04    0.738803E+00
 108    0.871444E-03    0.165059E+02 -0.100000E-04 0.100000E-04    0.562023E+00
 109   -0.718034E-04    0.138935E+02  0.516812E-05 0.100000E-04    0.957574E+00
 110    0.132288E-01    0.122376E+02 -0.100000E-04 0.100000E-04    0.477234E+00
 111   -0.536389E-04    0.100920E+02  0.531502E-05 0.100000E-04    0.897629E+00
 112   -0.326504E-01    0.879633E+01  0.360001E-04 0.360001E-04    0.222675E+00
 113    0.764150E-01    0.575335E+01 -0.232297E-03 0.232297E-03    0.238180E+00
 114    0.909013E+00    0.323642E+01  0.213856E-03 0.213856E-03    0.310115E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2322967658E-03    0.2616424616    

 Beginning of optimization cycle  508.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3014171503
 potential> RMS force:                                               0.0855536865   |gradient|=.9134634057    
 Eigenvalues of the Hessian matrix:
   745.83586    674.36238    630.22223    601.05951    586.54806    578.74368 
   565.58251    487.42087    460.86322    459.93902    441.76468    429.06241 
   422.01642    408.22736    396.44800    387.70629    369.91014    360.52324 
   349.42504    335.21072    329.09699    321.90100    318.96840    309.66614 
   300.93491    290.49583    278.69369    272.59729    268.41422    264.87876 
   263.58502    253.27946    241.48758    240.66489    233.85340    227.46241 
   217.00914    214.88177    213.27976    207.56770    203.07529    195.61331 
   194.78088    191.32240    182.86582    174.20753    172.29961    168.15181 
   163.33412    156.94467    154.83384    152.26695    146.79688    143.43445 
   137.98316    135.87544    130.35438    128.78851    126.85485    124.29351 
   119.98142    118.16516    116.94085    110.33669    106.90192    104.40415 
   102.84590     99.56441     96.11045     94.15646     92.08880     91.16165 
    88.52244     85.54755     80.82120     80.38994     77.98926     73.32736 
    72.66710     67.98995     64.85290     61.46999     59.88656     59.39877 
    58.19407     55.90251     52.48285     52.10032     50.13847     46.29193 
    43.27168     40.88578     37.89504     36.31324     32.38116     28.84752 
    28.44943     26.28029     23.31169     21.30679     19.88665     16.50314 
    13.89405     12.23754     10.09192      8.80816      5.75134      3.23255 
overlap for current and previous eigenvector    109 is         0.9999991166
overlap for current and previous eigenvector    110 is         0.9999998355
overlap for current and previous eigenvector    111 is         0.9999984883
overlap for current and previous eigenvector    112 is         0.9999963370
overlap for current and previous eigenvector    113 is         0.9999939247
overlap for current and previous eigenvector    114 is         0.9999961855
J1,K1,R1,R2,RAT=   7   7    0.1187032918         1.881136354        0.8811363538    
FOB,PFOB,DIAG,PSTEP=   -0.5030800350E-05   -0.5708468710E-05     745.8358630        0.7654400545E-08
J1,K1,R1,R2,RAT=   8   8    0.1039830459         1.896060450        0.8960169541    
FOB,PFOB,DIAG,PSTEP=   -0.6720100336E-05   -0.7499951140E-05     674.3623798        0.1112130252E-07
J1,K1,R1,R2,RAT=   9   9    0.1122618289         1.887643643        0.8876436431    
FOB,PFOB,DIAG,PSTEP=   -0.8433180472E-05   -0.9499682626E-05     630.2222346        0.1507425654E-07
J1,K1,R1,R2,RAT=  10  10    0.1398510635         1.860217130        0.8601489365    
FOB,PFOB,DIAG,PSTEP=    0.2206784165E-06    0.2565569564E-06     601.0595052       -0.4268266399E-09
J1,K1,R1,R2,RAT=  11  11    0.5088959558E-01     1.949144945        0.9491104044    
FOB,PFOB,DIAG,PSTEP=   -0.9051113215E-06   -0.9536408822E-06     586.5480633        0.1625824843E-08
J1,K1,R1,R2,RAT= 109 109    0.1117940857         1.888128644        0.8881286440    
FOB,PFOB,DIAG,PSTEP=   -0.6377585866E-04   -0.7180335976E-04     13.89405120        0.5168120727E-05
J1,K1,R1,R2,RAT= 110 110     1.435679925         214.7646311        0.4356799250    
FOB,PFOB,DIAG,PSTEP=    0.1305310470E-01    0.1322879657E-01     12.23753703       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.9216249695E-01     1.907845247        0.9078375030    
FOB,PFOB,DIAG,PSTEP=   -0.4869545141E-04   -0.5363892999E-04     10.09191635        0.5315018516E-05
J1,K1,R1,R2,RAT= 112 112   -0.7698978823         206.7045139        0.2301021177    
FOB,PFOB,DIAG,PSTEP=   -0.3289454797E-01   -0.3265041721E-01     8.808159147        0.3600014281E-04
J1,K1,R1,R2,RAT= 113 113   -0.7785798893         115.1708754        0.2214201107    
FOB,PFOB,DIAG,PSTEP=    0.7745520312E-01    0.7641500741E-01     5.751335687       -0.2322967658E-03
J1,K1,R1,R2,RAT= 114 114    0.6825640868        -2630.540030        0.3174359132    
FOB,PFOB,DIAG,PSTEP=    0.9094845188        0.9090126610         3.232552584        0.2138563344E-03
 Gradients along Hessian eigenvectors: 
    -0.00001     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00000     -0.00001     -0.00002 
    -0.00002     -0.00002      0.00000     -0.00001      0.00002      0.00002 
     0.00000      0.00000     -0.00001     -0.00002     -0.00003     -0.00002 
    -0.00001     -0.00004      0.00001      0.00002     -0.00002     -0.00001 
     0.00002      0.00001     -0.00000     -0.00000     -0.00001     -0.00001 
     0.00002     -0.00001     -0.00000      0.00002     -0.00001      0.00001 
     0.00000     -0.00001      0.00002     -0.00001      0.00001      0.00001 
    -0.00002     -0.00000     -0.00000      0.00003      0.00001      0.00004 
    -0.00001     -0.00001     -0.00003      0.00001     -0.00003      0.00001 
     0.00001      0.00001      0.00002      0.00002      0.00001      0.00001 
     0.00002     -0.00000     -0.00001      0.00002     -0.00003      0.00003 
    -0.00000      0.00005      0.00004     -0.00002     -0.00002      0.00000 
    -0.00002      0.00002     -0.00001     -0.00002     -0.00010      0.00004 
     0.00004     -0.00005     -0.00001     -0.00002      0.00081      0.00092 
    -0.00006      0.01305     -0.00005     -0.03289      0.07746      0.90948 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3856149374
 Log product of positive Hessian eigenvalues =          519.0785265546
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2325525843
 Unscaled step for mode    7=        0.0000000067
 Unscaled step for mode    8=        0.0000000100
 Unscaled step for mode    9=        0.0000000134
 Unscaled step for mode   10=       -0.0000000004
 Unscaled step for mode   11=        0.0000000015
 Unscaled step for mode   12=        0.0000000230
 Unscaled step for mode   13=        0.0000000034
 Unscaled step for mode   14=       -0.0000000146
 Unscaled step for mode   15=        0.0000000043
 Unscaled step for mode   16=        0.0000000007
 Unscaled step for mode   17=        0.0000000131
 Unscaled step for mode   18=        0.0000000041
 Unscaled step for mode   19=        0.0000000187
 Unscaled step for mode   20=        0.0000000053
 Unscaled step for mode   21=        0.0000000072
 Unscaled step for mode   22=        0.0000000243
 Unscaled step for mode   23=       -0.0000000240
 Unscaled step for mode   24=        0.0000000175
 Unscaled step for mode   25=        0.0000000285
 Unscaled step for mode   26=        0.0000000358
 Unscaled step for mode   27=        0.0000000085
 Unscaled step for mode   28=        0.0000000029
 Unscaled step for mode   29=        0.0000000326
 Unscaled step for mode   30=        0.0000000678
 Unscaled step for mode   31=        0.0000000678
 Unscaled step for mode   32=        0.0000000544
 Unscaled step for mode   33=       -0.0000000116
 Unscaled step for mode   34=        0.0000000254
 Unscaled step for mode   35=       -0.0000000657
 Unscaled step for mode   36=       -0.0000000865
 Unscaled step for mode   37=       -0.0000000046
 Unscaled step for mode   38=       -0.0000000142
 Unscaled step for mode   39=        0.0000000414
 Unscaled step for mode   40=        0.0000000974
 Unscaled step for mode   41=        0.0000001099
 Unscaled step for mode   42=        0.0000001067
 Unscaled step for mode   43=        0.0000000272
 Unscaled step for mode   44=        0.0000001639
 Unscaled step for mode   45=       -0.0000000563
 Unscaled step for mode   46=       -0.0000001108
 Unscaled step for mode   47=        0.0000000764
 Unscaled step for mode   48=        0.0000000470
 Unscaled step for mode   49=       -0.0000001072
 Unscaled step for mode   50=       -0.0000000769
 Unscaled step for mode   51=        0.0000000267
 Unscaled step for mode   52=        0.0000000070
 Unscaled step for mode   53=        0.0000000367
 Unscaled step for mode   54=        0.0000000780
 Unscaled step for mode   55=       -0.0000001004
 Unscaled step for mode   56=        0.0000000808
 Unscaled step for mode   57=        0.0000000252
 Unscaled step for mode   58=       -0.0000001175
 Unscaled step for mode   59=        0.0000000467
 Unscaled step for mode   60=       -0.0000000547
 Unscaled step for mode   61=       -0.0000000126
 Unscaled step for mode   62=        0.0000001042
 Unscaled step for mode   63=       -0.0000001428
 Unscaled step for mode   64=        0.0000001125
 Unscaled step for mode   65=       -0.0000000467
 Unscaled step for mode   66=       -0.0000000476
 Unscaled step for mode   67=        0.0000002053
 Unscaled step for mode   68=        0.0000000076
 Unscaled step for mode   69=        0.0000000227
 Unscaled step for mode   70=       -0.0000002467
 Unscaled step for mode   71=       -0.0000000598
 Unscaled step for mode   72=       -0.0000003475
 Unscaled step for mode   73=        0.0000000528
 Unscaled step for mode   74=        0.0000000559
 Unscaled step for mode   75=        0.0000002664
 Unscaled step for mode   76=       -0.0000000594
 Unscaled step for mode   77=        0.0000003600
 Unscaled step for mode   78=       -0.0000000653
 Unscaled step for mode   79=       -0.0000000614
 Unscaled step for mode   80=       -0.0000001352
 Unscaled step for mode   81=       -0.0000002849
 Unscaled step for mode   82=       -0.0000002484
 Unscaled step for mode   83=       -0.0000000828
 Unscaled step for mode   84=       -0.0000001682
 Unscaled step for mode   85=       -0.0000002705
 Unscaled step for mode   86=        0.0000000429
 Unscaled step for mode   87=        0.0000001215
 Unscaled step for mode   88=       -0.0000002622
 Unscaled step for mode   89=        0.0000004833
 Unscaled step for mode   90=       -0.0000004855
 Unscaled step for mode   91=        0.0000000639
 Unscaled step for mode   92=       -0.0000009543
 Unscaled step for mode   93=       -0.0000008031
 Unscaled step for mode   94=        0.0000004353
 Unscaled step for mode   95=        0.0000004589
 Unscaled step for mode   96=       -0.0000000790
 Unscaled step for mode   97=        0.0000005477
 Unscaled step for mode   98=       -0.0000003922
 Unscaled step for mode   99=        0.0000003742
 Unscaled step for mode  100=        0.0000004315
 Unscaled step for mode  101=        0.0000030794
 Unscaled step for mode  102=       -0.0000012958
 Unscaled step for mode  103=       -0.0000013481
 Unscaled step for mode  104=        0.0000020832
 Unscaled step for mode  105=        0.0000006363
 Unscaled step for mode  106=        0.0000008524
 Unscaled step for mode  107=       -0.0000407646
 Unscaled step for mode  108=       -0.0000560342
 Unscaled step for mode  109=        0.0000045902
 Unscaled step for mode  110=       -0.0010666435
 Unscaled step for mode  111=        0.0000048252
 Unscaled step for mode  112=        0.0037345021
 Unscaled step for mode  113=       -0.0134649001
 Unscaled step for mode  114=        0.2620337237
 Largest modulus ratio of non-zero e/values=           230.7265987    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.109288E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.219171E-14    0.100665E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.794720E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.187472E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.133291E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.188438E-14    0.974240E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.503080E-05    0.745836E+03  0.674518E-08 0.100000E-04    0.881136E+00
   8   -0.672010E-05    0.674362E+03  0.996512E-08 0.100000E-04    0.896017E+00
   9   -0.843318E-05    0.630222E+03  0.133813E-07 0.100000E-04    0.887644E+00
  10    0.220678E-06    0.601060E+03 -0.367149E-09 0.100000E-04    0.860149E+00
  11   -0.905111E-06    0.586548E+03  0.154312E-08 0.100000E-04    0.949110E+00
  12   -0.133008E-04    0.578744E+03  0.229822E-07 0.100000E-04    0.891638E+00
  13   -0.189607E-05    0.565583E+03  0.335241E-08 0.100000E-04    0.887295E+00
  14    0.711352E-05    0.487421E+03 -0.145942E-07 0.100000E-04    0.894238E+00
  15   -0.197909E-05    0.460863E+03  0.429431E-08 0.100000E-04    0.876182E+00
  16   -0.322433E-06    0.459939E+03  0.701034E-09 0.100000E-04    0.765958E+00
  17   -0.580783E-05    0.441765E+03  0.131469E-07 0.100000E-04    0.876922E+00
  18   -0.175321E-05    0.429062E+03  0.408615E-08 0.100000E-04    0.907628E+00
  19   -0.789454E-05    0.422016E+03  0.187067E-07 0.100000E-04    0.889595E+00
  20   -0.218077E-05    0.408227E+03  0.534204E-08 0.100000E-04    0.910350E+00
  21   -0.284855E-05    0.396448E+03  0.718519E-08 0.100000E-04    0.896808E+00
  22   -0.943347E-05    0.387706E+03  0.243315E-07 0.100000E-04    0.895904E+00
  23    0.887013E-05    0.369910E+03 -0.239792E-07 0.100000E-04    0.894758E+00
  24   -0.629173E-05    0.360523E+03  0.174517E-07 0.100000E-04    0.885944E+00
  25   -0.995271E-05    0.349425E+03  0.284831E-07 0.100000E-04    0.895713E+00
  26   -0.120079E-04    0.335211E+03  0.358218E-07 0.100000E-04    0.880933E+00
  27   -0.279119E-05    0.329097E+03  0.848136E-08 0.100000E-04    0.875376E+00
  28   -0.937179E-06    0.321901E+03  0.291139E-08 0.100000E-04    0.909595E+00
  29   -0.103879E-04    0.318968E+03  0.325671E-07 0.100000E-04    0.877609E+00
  30   -0.209898E-04    0.309666E+03  0.677821E-07 0.100000E-04    0.907343E+00
  31   -0.203989E-04    0.300935E+03  0.677850E-07 0.100000E-04    0.895490E+00
  32   -0.158044E-04    0.290496E+03  0.544049E-07 0.100000E-04    0.903292E+00
  33    0.323291E-05    0.278694E+03 -0.116002E-07 0.100000E-04    0.880110E+00
  34   -0.692987E-05    0.272597E+03  0.254216E-07 0.100000E-04    0.882906E+00
  35    0.176247E-04    0.268414E+03 -0.656624E-07 0.100000E-04    0.898902E+00
  36    0.229118E-04    0.264879E+03 -0.864993E-07 0.100000E-04    0.904194E+00
  37    0.121490E-05    0.263585E+03 -0.460912E-08 0.100000E-04    0.808380E+00
  38    0.360737E-05    0.253279E+03 -0.142426E-07 0.100000E-04    0.883287E+00
  39   -0.100042E-04    0.241488E+03  0.414276E-07 0.100000E-04    0.907824E+00
  40   -0.234351E-04    0.240665E+03  0.973764E-07 0.100000E-04    0.896300E+00
  41   -0.256991E-04    0.233853E+03  0.109894E-06 0.100000E-04    0.891360E+00
  42   -0.242697E-04    0.227462E+03  0.106698E-06 0.100000E-04    0.903988E+00
  43   -0.590263E-05    0.217009E+03  0.271999E-07 0.100000E-04    0.876154E+00
  44   -0.352144E-04    0.214882E+03  0.163878E-06 0.100000E-04    0.896714E+00
  45    0.120088E-04    0.213280E+03 -0.563054E-07 0.100000E-04    0.903686E+00
  46    0.230013E-04    0.207568E+03 -0.110814E-06 0.100000E-04    0.897342E+00
  47   -0.155063E-04    0.203075E+03  0.763572E-07 0.100000E-04    0.894399E+00
  48   -0.919423E-05    0.195613E+03  0.470021E-07 0.100000E-04    0.912734E+00
  49    0.208878E-04    0.194781E+03 -0.107238E-06 0.100000E-04    0.900532E+00
  50    0.147105E-04    0.191322E+03 -0.768885E-07 0.100000E-04    0.909254E+00
  51   -0.488961E-05    0.182866E+03  0.267388E-07 0.100000E-04    0.878898E+00
  52   -0.122744E-05    0.174208E+03  0.704583E-08 0.100000E-04    0.986682E+00
  53   -0.631497E-05    0.172300E+03  0.366511E-07 0.100000E-04    0.901436E+00
  54   -0.131114E-04    0.168152E+03  0.779739E-07 0.100000E-04    0.906622E+00
  55    0.163968E-04    0.163334E+03 -0.100388E-06 0.100000E-04    0.907285E+00
  56   -0.126793E-04    0.156945E+03  0.807886E-07 0.100000E-04    0.894039E+00
  57   -0.389875E-05    0.154834E+03  0.251802E-07 0.100000E-04    0.918526E+00
  58    0.178849E-04    0.152267E+03 -0.117458E-06 0.100000E-04    0.907316E+00
  59   -0.685868E-05    0.146797E+03  0.467223E-07 0.100000E-04    0.894787E+00
  60    0.784648E-05    0.143434E+03 -0.547043E-07 0.100000E-04    0.911692E+00
  61    0.174206E-05    0.137983E+03 -0.126252E-07 0.100000E-04    0.864283E+00
  62   -0.141536E-04    0.135875E+03  0.104166E-06 0.100000E-04    0.896221E+00
  63    0.186104E-04    0.130354E+03 -0.142768E-06 0.100000E-04    0.914029E+00
  64   -0.144852E-04    0.128789E+03  0.112473E-06 0.100000E-04    0.880703E+00
  65    0.592522E-05    0.126855E+03 -0.467087E-07 0.100000E-04    0.898705E+00
  66    0.591853E-05    0.124294E+03 -0.476173E-07 0.100000E-04    0.914246E+00
  67   -0.246335E-04    0.119981E+03  0.205311E-06 0.100000E-04    0.901667E+00
  68   -0.900237E-06    0.118165E+03  0.761846E-08 0.100000E-04    0.922312E+00
  69   -0.265071E-05    0.116941E+03  0.226671E-07 0.100000E-04    0.933000E+00
  70    0.272214E-04    0.110337E+03 -0.246712E-06 0.100000E-04    0.901226E+00
  71    0.639294E-05    0.106902E+03 -0.598019E-07 0.100000E-04    0.886180E+00
  72    0.362805E-04    0.104404E+03 -0.347500E-06 0.100000E-04    0.891233E+00
  73   -0.543036E-05    0.102846E+03  0.528009E-07 0.100000E-04    0.882949E+00
  74   -0.557045E-05    0.995644E+02  0.559482E-07 0.100000E-04    0.921286E+00
  75   -0.256080E-04    0.961105E+02  0.266443E-06 0.100000E-04    0.895272E+00
  76    0.559089E-05    0.941565E+02 -0.593787E-07 0.100000E-04    0.912832E+00
  77   -0.331514E-04    0.920888E+02  0.359993E-06 0.100000E-04    0.904800E+00
  78    0.594945E-05    0.911616E+02 -0.652626E-07 0.100000E-04    0.907370E+00
  79    0.543331E-05    0.885224E+02 -0.613777E-07 0.100000E-04    0.918528E+00
  80    0.115627E-04    0.855476E+02 -0.135161E-06 0.100000E-04    0.896408E+00
  81    0.230278E-04    0.808212E+02 -0.284923E-06 0.100000E-04    0.902888E+00
  82    0.199727E-04    0.803899E+02 -0.248448E-06 0.100000E-04    0.895511E+00
  83    0.645387E-05    0.779893E+02 -0.827533E-07 0.100000E-04    0.909399E+00
  84    0.123347E-04    0.733274E+02 -0.168215E-06 0.100000E-04    0.891707E+00
  85    0.196542E-04    0.726671E+02 -0.270470E-06 0.100000E-04    0.905589E+00
  86   -0.291738E-05    0.679899E+02  0.429089E-07 0.100000E-04    0.917704E+00
  87   -0.788256E-05    0.648529E+02  0.121545E-06 0.100000E-04    0.852638E+00
  88    0.161168E-04    0.614700E+02 -0.262190E-06 0.100000E-04    0.898836E+00
  89   -0.289408E-04    0.598866E+02  0.483261E-06 0.100000E-04    0.898410E+00
  90    0.288388E-04    0.593988E+02 -0.485513E-06 0.100000E-04    0.897447E+00
  91   -0.371832E-05    0.581941E+02  0.638952E-07 0.100000E-04    0.877652E+00
  92    0.533450E-04    0.559025E+02 -0.954251E-06 0.100000E-04    0.907745E+00
  93    0.421491E-04    0.524828E+02 -0.803103E-06 0.100000E-04    0.914375E+00
  94   -0.226787E-04    0.521003E+02  0.435290E-06 0.100000E-04    0.900805E+00
  95   -0.230083E-04    0.501385E+02  0.458895E-06 0.100000E-04    0.905342E+00
  96    0.365746E-05    0.462919E+02 -0.790087E-07 0.100000E-04    0.920973E+00
  97   -0.236994E-04    0.432717E+02  0.547688E-06 0.100000E-04    0.893987E+00
  98    0.160335E-04    0.408858E+02 -0.392152E-06 0.100000E-04    0.931779E+00
  99   -0.141808E-04    0.378950E+02  0.374212E-06 0.100000E-04    0.868969E+00
 100   -0.156705E-04    0.363132E+02  0.431538E-06 0.100000E-04    0.890036E+00
 101   -0.997151E-04    0.323812E+02  0.307942E-05 0.100000E-04    0.925424E+00
 102    0.373806E-04    0.288475E+02 -0.129580E-05 0.100000E-04    0.894105E+00
 103    0.383523E-04    0.284494E+02 -0.134809E-05 0.100000E-04    0.893931E+00
 104   -0.547482E-04    0.262803E+02  0.208324E-05 0.100000E-04    0.868018E+00
 105   -0.148332E-04    0.233117E+02  0.636297E-06 0.100000E-04    0.978330E+00
 106   -0.181619E-04    0.213068E+02  0.852400E-06 0.100000E-04    0.860477E+00
 107    0.810671E-03    0.198867E+02 -0.100000E-04 0.100000E-04    0.838341E+00
 108    0.924741E-03    0.165031E+02 -0.100000E-04 0.100000E-04    0.677047E+00
 109   -0.637759E-04    0.138941E+02  0.459016E-05 0.100000E-04    0.888129E+00
 110    0.130531E-01    0.122375E+02 -0.100000E-04 0.100000E-04    0.435680E+00
 111   -0.486955E-04    0.100919E+02  0.482519E-05 0.100000E-04    0.907838E+00
 112   -0.328945E-01    0.880816E+01  0.324326E-04 0.324326E-04    0.230102E+00
 113    0.774552E-01    0.575134E+01 -0.209276E-03 0.209276E-03    0.221420E+00
 114    0.909485E+00    0.323255E+01  0.192663E-03 0.192663E-03    0.317436E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2092763656E-03    0.2620337237    

 Beginning of optimization cycle  509.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3012591581
 potential> RMS force:                                               0.0856010356   |gradient|=.9139689559    
 Eigenvalues of the Hessian matrix:
   745.88982    674.34911    630.24892    601.04108    586.53893    578.76069 
   565.54962    487.42518    460.84878    459.92977    441.76028    429.07551 
   422.01380    408.21569    396.44275    387.69600    369.91767    360.52394 
   349.42149    335.21742    329.11026    321.89908    318.97356    309.65535 
   300.92668    290.50209    278.70704    272.60635    268.42260    264.88298 
   263.60153    253.27496    241.48910    240.67491    233.86016    227.46496 
   217.01208    214.88247    213.27825    207.57347    203.07011    195.60342 
   194.78423    191.32421    182.86914    174.21437    172.29984    168.15666 
   163.32700    156.93872    154.83860    152.26770    146.78831    143.43043 
   137.98939    135.87493    130.35113    128.79118    126.85717    124.28168 
   119.98242    118.16525    116.93578    110.33747    106.89825    104.40483 
   102.84464     99.56240     96.11058     94.15391     92.07992     91.16512 
    88.51591     85.55079     80.82130     80.39620     77.98653     73.32619 
    72.66216     67.98541     64.84679     61.46188     59.88354     59.39860 
    58.18902     55.89947     52.48112     52.09603     50.14233     46.28500 
    43.27669     40.88721     37.89368     36.30706     32.37382     28.84943 
    28.44944     26.27992     23.31243     21.30804     19.88325     16.50064 
    13.89454     12.23747     10.09189      8.81882      5.74950      3.22904 
overlap for current and previous eigenvector    109 is         0.9999992802
overlap for current and previous eigenvector    110 is         0.9999998670
overlap for current and previous eigenvector    111 is        -0.9999987299
overlap for current and previous eigenvector    112 is         0.9999970254
overlap for current and previous eigenvector    113 is        -0.9999950780
overlap for current and previous eigenvector    114 is        -0.9999968711
J1,K1,R1,R2,RAT=   7   7    0.1162373162         1.883617994        0.8836179940    
FOB,PFOB,DIAG,PSTEP=   -0.4445991311E-05   -0.5030800350E-05     745.8898243        0.6745184295E-08
J1,K1,R1,R2,RAT=   8   8    0.1033176385         1.896721705        0.8966823615    
FOB,PFOB,DIAG,PSTEP=   -0.6025809097E-05   -0.6720100336E-05     674.3491142        0.9965117476E-08
J1,K1,R1,R2,RAT=   9   9    0.1106510689         1.889264262        0.8892642615    
FOB,PFOB,DIAG,PSTEP=   -0.7500000533E-05   -0.8433180472E-05     630.2489160        0.1338128046E-07
J1,K1,R1,R2,RAT=  10  10    0.1959967261         1.804064600        0.8040032739    
FOB,PFOB,DIAG,PSTEP=    0.1774274956E-06    0.2206784165E-06     601.0410755       -0.3671490337E-09
J1,K1,R1,R2,RAT=  11  11    0.7041661715E-01     1.929614529        0.9295833829    
FOB,PFOB,DIAG,PSTEP=   -0.8413774367E-06   -0.9051113215E-06     586.5389290        0.1543115353E-08
J1,K1,R1,R2,RAT= 109 109    0.1121644987         1.887765379        0.8877653788    
FOB,PFOB,DIAG,PSTEP=   -0.5662222063E-04   -0.6377585866E-04     13.89453836        0.4590155724E-05
J1,K1,R1,R2,RAT= 110 110     1.395583076         211.9344723        0.3955830765    
FOB,PFOB,DIAG,PSTEP=    0.1288232059E-01    0.1305310470E-01     12.23747369       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.905784828        0.9422107397E-01    0.9057789260    
FOB,PFOB,DIAG,PSTEP=    0.4410732722E-04   -0.4869545141E-04     10.09188657        0.4825193719E-05
J1,K1,R1,R2,RAT= 112 112   -0.7597761648         230.7780132        0.2402238352    
FOB,PFOB,DIAG,PSTEP=   -0.3311185677E-01   -0.3289454797E-01     8.818818472        0.3243256109E-04
J1,K1,R1,R2,RAT= 113 113     129.5350322       -0.7899996416        0.2100003584    
FOB,PFOB,DIAG,PSTEP=   -0.7840575759E-01    0.7745520312E-01     5.749497997       -0.2092763656E-03
J1,K1,R1,R2,RAT= 114 114    -2924.510085        0.6764988255        0.3235011745    
FOB,PFOB,DIAG,PSTEP=   -0.9099053808        0.9094845188         3.229040679        0.1926633644E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00000     -0.00001     -0.00002 
    -0.00002     -0.00001      0.00000     -0.00001      0.00002      0.00002 
     0.00000      0.00000     -0.00001     -0.00002     -0.00002     -0.00002 
    -0.00001     -0.00003      0.00001      0.00002     -0.00001     -0.00001 
     0.00002      0.00001     -0.00000     -0.00000      0.00001     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00002      0.00001     -0.00001 
    -0.00000     -0.00001     -0.00002      0.00001     -0.00001     -0.00001 
     0.00002     -0.00000     -0.00000      0.00002     -0.00001      0.00003 
     0.00000      0.00001     -0.00002      0.00001     -0.00003     -0.00001 
     0.00000      0.00001      0.00002      0.00002     -0.00001     -0.00001 
    -0.00002      0.00000     -0.00001      0.00001      0.00003      0.00003 
     0.00000      0.00005      0.00004      0.00002     -0.00002     -0.00000 
     0.00002     -0.00001      0.00001     -0.00001      0.00009      0.00003 
     0.00003     -0.00005     -0.00001     -0.00002      0.00082     -0.00096 
    -0.00006      0.01288      0.00004     -0.03311     -0.07841     -0.90991 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3855019708
 Log product of positive Hessian eigenvalues =          519.0771015850
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2290406790
 Unscaled step for mode    7=        0.0000000060
 Unscaled step for mode    8=        0.0000000089
 Unscaled step for mode    9=        0.0000000119
 Unscaled step for mode   10=       -0.0000000003
 Unscaled step for mode   11=        0.0000000014
 Unscaled step for mode   12=        0.0000000205
 Unscaled step for mode   13=        0.0000000030
 Unscaled step for mode   14=       -0.0000000130
 Unscaled step for mode   15=        0.0000000038
 Unscaled step for mode   16=        0.0000000006
 Unscaled step for mode   17=        0.0000000116
 Unscaled step for mode   18=        0.0000000037
 Unscaled step for mode   19=        0.0000000167
 Unscaled step for mode   20=        0.0000000049
 Unscaled step for mode   21=        0.0000000064
 Unscaled step for mode   22=        0.0000000218
 Unscaled step for mode   23=       -0.0000000215
 Unscaled step for mode   24=        0.0000000156
 Unscaled step for mode   25=        0.0000000255
 Unscaled step for mode   26=        0.0000000317
 Unscaled step for mode   27=        0.0000000074
 Unscaled step for mode   28=        0.0000000026
 Unscaled step for mode   29=        0.0000000288
 Unscaled step for mode   30=        0.0000000613
 Unscaled step for mode   31=        0.0000000608
 Unscaled step for mode   32=        0.0000000490
 Unscaled step for mode   33=       -0.0000000103
 Unscaled step for mode   34=        0.0000000225
 Unscaled step for mode   35=       -0.0000000590
 Unscaled step for mode   36=       -0.0000000780
 Unscaled step for mode   37=       -0.0000000038
 Unscaled step for mode   38=       -0.0000000126
 Unscaled step for mode   39=        0.0000000375
 Unscaled step for mode   40=        0.0000000874
 Unscaled step for mode   41=        0.0000000981
 Unscaled step for mode   42=        0.0000000962
 Unscaled step for mode   43=        0.0000000238
 Unscaled step for mode   44=        0.0000001471
 Unscaled step for mode   45=       -0.0000000510
 Unscaled step for mode   46=       -0.0000000994
 Unscaled step for mode   47=        0.0000000684
 Unscaled step for mode   48=        0.0000000423
 Unscaled step for mode   49=       -0.0000000965
 Unscaled step for mode   50=       -0.0000000698
 Unscaled step for mode   51=        0.0000000236
 Unscaled step for mode   52=        0.0000000066
 Unscaled step for mode   53=       -0.0000000330
 Unscaled step for mode   54=        0.0000000701
 Unscaled step for mode   55=        0.0000000910
 Unscaled step for mode   56=        0.0000000724
 Unscaled step for mode   57=        0.0000000227
 Unscaled step for mode   58=        0.0000001064
 Unscaled step for mode   59=       -0.0000000418
 Unscaled step for mode   60=        0.0000000496
 Unscaled step for mode   61=        0.0000000104
 Unscaled step for mode   62=        0.0000000932
 Unscaled step for mode   63=        0.0000001304
 Unscaled step for mode   64=       -0.0000000993
 Unscaled step for mode   65=        0.0000000424
 Unscaled step for mode   66=        0.0000000432
 Unscaled step for mode   67=       -0.0000001855
 Unscaled step for mode   68=        0.0000000069
 Unscaled step for mode   69=        0.0000000211
 Unscaled step for mode   70=       -0.0000002224
 Unscaled step for mode   71=        0.0000000531
 Unscaled step for mode   72=       -0.0000003101
 Unscaled step for mode   73=       -0.0000000464
 Unscaled step for mode   74=       -0.0000000516
 Unscaled step for mode   75=        0.0000002375
 Unscaled step for mode   76=       -0.0000000545
 Unscaled step for mode   77=        0.0000003265
 Unscaled step for mode   78=        0.0000000596
 Unscaled step for mode   79=       -0.0000000553
 Unscaled step for mode   80=       -0.0000001212
 Unscaled step for mode   81=       -0.0000002576
 Unscaled step for mode   82=       -0.0000002227
 Unscaled step for mode   83=        0.0000000746
 Unscaled step for mode   84=        0.0000001495
 Unscaled step for mode   85=        0.0000002460
 Unscaled step for mode   86=       -0.0000000396
 Unscaled step for mode   87=        0.0000001049
 Unscaled step for mode   88=       -0.0000002362
 Unscaled step for mode   89=       -0.0000004364
 Unscaled step for mode   90=       -0.0000004342
 Unscaled step for mode   91=       -0.0000000664
 Unscaled step for mode   92=       -0.0000008638
 Unscaled step for mode   93=       -0.0000007296
 Unscaled step for mode   94=       -0.0000003913
 Unscaled step for mode   95=        0.0000004175
 Unscaled step for mode   96=        0.0000000810
 Unscaled step for mode   97=       -0.0000004958
 Unscaled step for mode   98=        0.0000003569
 Unscaled step for mode   99=       -0.0000003237
 Unscaled step for mode  100=        0.0000003822
 Unscaled step for mode  101=       -0.0000028297
 Unscaled step for mode  102=       -0.0000011572
 Unscaled step for mode  103=       -0.0000011971
 Unscaled step for mode  104=        0.0000018188
 Unscaled step for mode  105=        0.0000006124
 Unscaled step for mode  106=        0.0000007546
 Unscaled step for mode  107=       -0.0000414275
 Unscaled step for mode  108=        0.0000581562
 Unscaled step for mode  109=        0.0000040751
 Unscaled step for mode  110=       -0.0010526933
 Unscaled step for mode  111=       -0.0000043706
 Unscaled step for mode  112=        0.0037546288
 Unscaled step for mode  113=        0.0136344394
 Unscaled step for mode  114=       -0.2623877784
 Largest modulus ratio of non-zero e/values=           230.9942483    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.818573E-16    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.243615E-14    0.100665E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.532314E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.453197E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.361473E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.221343E-14    0.974242E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.444599E-05    0.745890E+03  0.596065E-08 0.100000E-04    0.883618E+00
   8   -0.602581E-05    0.674349E+03  0.893574E-08 0.100000E-04    0.896682E+00
   9   -0.750000E-05    0.630249E+03  0.119001E-07 0.100000E-04    0.889264E+00
  10    0.177427E-06    0.601041E+03 -0.295200E-09 0.100000E-04    0.804003E+00
  11   -0.841377E-06    0.586539E+03  0.143448E-08 0.100000E-04    0.929583E+00
  12   -0.118608E-04    0.578761E+03  0.204934E-07 0.100000E-04    0.891679E+00
  13   -0.167502E-05    0.565550E+03  0.296176E-08 0.100000E-04    0.883413E+00
  14    0.635872E-05    0.487425E+03 -0.130455E-07 0.100000E-04    0.893875E+00
  15   -0.174302E-05    0.460849E+03  0.378219E-08 0.100000E-04    0.880712E+00
  16   -0.253760E-06    0.459930E+03  0.551736E-09 0.100000E-04    0.787011E+00
  17   -0.512854E-05    0.441760E+03  0.116093E-07 0.100000E-04    0.883038E+00
  18   -0.158096E-05    0.429076E+03  0.368457E-08 0.100000E-04    0.901691E+00
  19   -0.702659E-05    0.422014E+03  0.166501E-07 0.100000E-04    0.890056E+00
  20   -0.200003E-05    0.408216E+03  0.489945E-08 0.100000E-04    0.917121E+00
  21   -0.255185E-05    0.396443E+03  0.643688E-08 0.100000E-04    0.895840E+00
  22   -0.846670E-05    0.387696E+03  0.218385E-07 0.100000E-04    0.897515E+00
  23    0.793737E-05    0.369918E+03 -0.214571E-07 0.100000E-04    0.894804E+00
  24   -0.560624E-05    0.360524E+03  0.155503E-07 0.100000E-04    0.891046E+00
  25   -0.892292E-05    0.349421E+03  0.255363E-07 0.100000E-04    0.896530E+00
  26   -0.106117E-04    0.335217E+03  0.316561E-07 0.100000E-04    0.883689E+00
  27   -0.243693E-05    0.329110E+03  0.740460E-08 0.100000E-04    0.873004E+00
  28   -0.824908E-06    0.321899E+03  0.256263E-08 0.100000E-04    0.880202E+00
  29   -0.919230E-05    0.318974E+03  0.288184E-07 0.100000E-04    0.884877E+00
  30   -0.189864E-04    0.309655E+03  0.613145E-07 0.100000E-04    0.904547E+00
  31   -0.182847E-04    0.300927E+03  0.607614E-07 0.100000E-04    0.896357E+00
  32   -0.142467E-04    0.290502E+03  0.490415E-07 0.100000E-04    0.901396E+00
  33    0.287227E-05    0.278707E+03 -0.103057E-07 0.100000E-04    0.888359E+00
  34   -0.613682E-05    0.272606E+03  0.225116E-07 0.100000E-04    0.885497E+00
  35    0.158241E-04    0.268423E+03 -0.589521E-07 0.100000E-04    0.897775E+00
  36    0.206703E-04    0.264883E+03 -0.780354E-07 0.100000E-04    0.902135E+00
  37    0.100913E-05    0.263602E+03 -0.382824E-08 0.100000E-04    0.830516E+00
  38    0.319192E-05    0.253275E+03 -0.126026E-07 0.100000E-04    0.884832E+00
  39   -0.905559E-05    0.241489E+03  0.374990E-07 0.100000E-04    0.905163E+00
  40   -0.210455E-04    0.240675E+03  0.874438E-07 0.100000E-04    0.897956E+00
  41   -0.229476E-04    0.233860E+03  0.981253E-07 0.100000E-04    0.892880E+00
  42   -0.218803E-04    0.227465E+03  0.961920E-07 0.100000E-04    0.901526E+00
  43   -0.516150E-05    0.217012E+03  0.237844E-07 0.100000E-04    0.874416E+00
  44   -0.315994E-04    0.214882E+03  0.147054E-06 0.100000E-04    0.897336E+00
  45    0.108727E-04    0.213278E+03 -0.509791E-07 0.100000E-04    0.905396E+00
  46    0.206259E-04    0.207573E+03 -0.993666E-07 0.100000E-04    0.896672E+00
  47   -0.138981E-04    0.203070E+03  0.684398E-07 0.100000E-04    0.896285E+00
  48   -0.827908E-05    0.195603E+03  0.423259E-07 0.100000E-04    0.900460E+00
  49    0.187881E-04    0.194784E+03 -0.964562E-07 0.100000E-04    0.899445E+00
  50    0.133587E-04    0.191324E+03 -0.698226E-07 0.100000E-04    0.908092E+00
  51   -0.431531E-05    0.182869E+03  0.235978E-07 0.100000E-04    0.882513E+00
  52   -0.114519E-05    0.174214E+03  0.657347E-08 0.100000E-04    0.932921E+00
  53    0.568953E-05    0.172300E+03 -0.330211E-07 0.100000E-04    0.900957E+00
  54   -0.117804E-04    0.168157E+03  0.700561E-07 0.100000E-04    0.898427E+00
  55   -0.148580E-04    0.163327E+03  0.909711E-07 0.100000E-04    0.906152E+00
  56   -0.113631E-04    0.156939E+03  0.724045E-07 0.100000E-04    0.896184E+00
  57   -0.351999E-05    0.154839E+03  0.227333E-07 0.100000E-04    0.902793E+00
  58   -0.162000E-04    0.152268E+03  0.106391E-06 0.100000E-04    0.905779E+00
  59    0.614139E-05    0.146788E+03 -0.418384E-07 0.100000E-04    0.895413E+00
  60   -0.711330E-05    0.143430E+03  0.495941E-07 0.100000E-04    0.906557E+00
  61   -0.142970E-05    0.137989E+03  0.103609E-07 0.100000E-04    0.820611E+00
  62   -0.126685E-04    0.135875E+03  0.932368E-07 0.100000E-04    0.895077E+00
  63   -0.169959E-04    0.130351E+03  0.130386E-06 0.100000E-04    0.913246E+00
  64    0.127930E-04    0.128791E+03 -0.993310E-07 0.100000E-04    0.883134E+00
  65   -0.537351E-05    0.126857E+03  0.423588E-07 0.100000E-04    0.906853E+00
  66   -0.536761E-05    0.124282E+03  0.431891E-07 0.100000E-04    0.906908E+00
  67    0.222528E-04    0.119982E+03 -0.185467E-06 0.100000E-04    0.903340E+00
  68   -0.810198E-06    0.118165E+03  0.685648E-08 0.100000E-04    0.899981E+00
  69   -0.247104E-05    0.116936E+03  0.211316E-07 0.100000E-04    0.932218E+00
  70    0.245437E-04    0.110337E+03 -0.222442E-06 0.100000E-04    0.901619E+00
  71   -0.567880E-05    0.106898E+03  0.531234E-07 0.100000E-04    0.888289E+00
  72    0.323788E-04    0.104405E+03 -0.310127E-06 0.100000E-04    0.892445E+00
  73    0.476717E-05    0.102845E+03 -0.463531E-07 0.100000E-04    0.877873E+00
  74    0.514109E-05    0.995624E+02 -0.516368E-07 0.100000E-04    0.922920E+00
  75   -0.228277E-04    0.961106E+02  0.237515E-06 0.100000E-04    0.891426E+00
  76    0.513183E-05    0.941539E+02 -0.545047E-07 0.100000E-04    0.917889E+00
  77   -0.300636E-04    0.920799E+02  0.326495E-06 0.100000E-04    0.906851E+00
  78   -0.543203E-05    0.911651E+02  0.595845E-07 0.100000E-04    0.912957E+00
  79    0.489277E-05    0.885159E+02 -0.552756E-07 0.100000E-04    0.900507E+00
  80    0.103649E-04    0.855508E+02 -0.121154E-06 0.100000E-04    0.896330E+00
  81    0.208185E-04    0.808213E+02 -0.257587E-06 0.100000E-04    0.904059E+00
  82    0.179066E-04    0.803962E+02 -0.222729E-06 0.100000E-04    0.896405E+00
  83   -0.582108E-05    0.779865E+02  0.746421E-07 0.100000E-04    0.901949E+00
  84   -0.109631E-04    0.733262E+02  0.149511E-06 0.100000E-04    0.888796E+00
  85   -0.178778E-04    0.726622E+02  0.246040E-06 0.100000E-04    0.909608E+00
  86    0.269193E-05    0.679854E+02 -0.395958E-07 0.100000E-04    0.922719E+00
  87   -0.680136E-05    0.648468E+02  0.104883E-06 0.100000E-04    0.862823E+00
  88    0.145151E-04    0.614619E+02 -0.236165E-06 0.100000E-04    0.900605E+00
  89    0.261338E-04    0.598835E+02 -0.436410E-06 0.100000E-04    0.903002E+00
  90    0.257937E-04    0.593986E+02 -0.434247E-06 0.100000E-04    0.894407E+00
  91    0.386222E-05    0.581890E+02 -0.663737E-07 0.100000E-04    0.961296E+00
  92    0.482861E-04    0.558995E+02 -0.863802E-06 0.100000E-04    0.905160E+00
  93    0.382892E-04    0.524811E+02 -0.729580E-06 0.100000E-04    0.908418E+00
  94    0.203866E-04    0.520960E+02 -0.391328E-06 0.100000E-04    0.898924E+00
  95   -0.209337E-04    0.501423E+02  0.417485E-06 0.100000E-04    0.909685E+00
  96   -0.375009E-05    0.462850E+02  0.810218E-07 0.100000E-04    0.974670E+00
  97    0.214558E-04    0.432767E+02 -0.495783E-06 0.100000E-04    0.905113E+00
  98   -0.145936E-04    0.408872E+02  0.356924E-06 0.100000E-04    0.910132E+00
  99    0.122676E-04    0.378937E+02 -0.323738E-06 0.100000E-04    0.865083E+00
 100   -0.138777E-04    0.363071E+02  0.382230E-06 0.100000E-04    0.885569E+00
 101    0.916093E-04    0.323738E+02 -0.282973E-05 0.100000E-04    0.918691E+00
 102    0.333839E-04    0.288494E+02 -0.115718E-05 0.100000E-04    0.892955E+00
 103    0.340569E-04    0.284494E+02 -0.119710E-05 0.100000E-04    0.888000E+00
 104   -0.477988E-04    0.262799E+02  0.181883E-05 0.100000E-04    0.873064E+00
 105   -0.142758E-04    0.233124E+02  0.612368E-06 0.100000E-04    0.962362E+00
 106   -0.160788E-04    0.213080E+02  0.754588E-06 0.100000E-04    0.885192E+00
 107    0.823714E-03    0.198832E+02 -0.100000E-04 0.100000E-04    0.934404E+00
 108   -0.959615E-03    0.165006E+02  0.100000E-04 0.100000E-04    0.788651E+00
 109   -0.566222E-04    0.138945E+02  0.407514E-05 0.100000E-04    0.887765E+00
 110    0.128823E-01    0.122375E+02 -0.100000E-04 0.100000E-04    0.395583E+00
 111    0.441073E-04    0.100919E+02 -0.437057E-05 0.100000E-04    0.905779E+00
 112   -0.331119E-01    0.881882E+01  0.292185E-04 0.292185E-04    0.240224E+00
 113   -0.784058E-01    0.574950E+01  0.188537E-03 0.188537E-03    0.210000E+00
 114   -0.909905E+00    0.322904E+01 -0.173571E-03 0.173571E-03    0.323501E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1885372663E-03    0.2623877784    

 Beginning of optimization cycle  510.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3011169654
 potential> RMS force:                                               0.0856435094   |gradient|=.9144224512    
 Eigenvalues of the Hessian matrix:
   745.93854    674.33713    630.27281    601.02450    586.53068    578.77578 
   565.51994    487.42906    460.83592    459.92133    441.75628    429.08744 
   422.01143    408.20519    396.43804    387.68682    369.92441    360.52457 
   349.41831    335.22346    329.12214    321.89732    318.97832    309.64549 
   300.91927    290.50780    278.71915    272.61457    268.43019    264.88684 
   263.61620    253.27094    241.49058    240.68382    233.86625    227.46730 
   217.01489    214.88303    213.27685    207.57867    203.06545    195.59446 
   194.78723    191.32582    182.87214    174.22061    172.30005    168.16104 
   163.32056    156.93337    154.84292    152.26837    146.78063    143.42680 
   137.99500    135.87445    130.34823    128.79357    126.85926    124.27100 
   119.98334    118.16534    116.93120    110.33818    106.89495    104.40549 
   102.84354     99.56054     96.11066     94.15157     92.07189     91.16827 
    88.51003     85.55369     80.82139     80.40182     77.98405     73.32515 
    72.65768     67.98128     64.84128     61.45457     59.88073     59.39841 
    58.18450     55.89676     52.47956     52.09216     50.14582     46.27875 
    43.28115     40.88851     37.89243     36.30146     32.36721     28.85119 
    28.44943     26.27963     23.31308     21.30915     19.88016     16.49838 
    13.89498     12.23742     10.09186      8.82842      5.74782      3.22585 
overlap for current and previous eigenvector    109 is         0.9999994141
overlap for current and previous eigenvector    110 is        -0.9999998927
overlap for current and previous eigenvector    111 is         0.9999989369
overlap for current and previous eigenvector    112 is        -0.9999975850
overlap for current and previous eigenvector    113 is        -0.9999960080
overlap for current and previous eigenvector    114 is        -0.9999974318
J1,K1,R1,R2,RAT=   7   7    0.1150001401         1.884869250        0.8848692501    
FOB,PFOB,DIAG,PSTEP=   -0.3934668295E-05   -0.4445991311E-05     745.9385378        0.5960654196E-08
J1,K1,R1,R2,RAT=   8   8    0.1029730244         1.897062528        0.8970269756    
FOB,PFOB,DIAG,PSTEP=   -0.5405324340E-05   -0.6025809097E-05     674.3371272        0.8935741102E-08
J1,K1,R1,R2,RAT=   9   9    0.1100979796         1.889826200        0.8898261997    
FOB,PFOB,DIAG,PSTEP=   -0.6674234322E-05   -0.7500000533E-05     630.2728099        0.1190006098E-07
J1,K1,R1,R2,RAT=  10  10    0.1748193321         1.825235810        0.8251806679    
FOB,PFOB,DIAG,PSTEP=    0.1464105945E-06    0.1774274956E-06     601.0245045       -0.2952002830E-09
J1,K1,R1,R2,RAT=  11  11    0.7557809795E-01     1.924450028        0.9244219021    
FOB,PFOB,DIAG,PSTEP=   -0.7777886246E-06   -0.8413774367E-06     586.5306806        0.1434478421E-08
J1,K1,R1,R2,RAT= 109 109    0.1124754820         1.887460763        0.8874607629    
FOB,PFOB,DIAG,PSTEP=   -0.5025340605E-04   -0.5662222063E-04     13.89498130        0.4075142272E-05
J1,K1,R1,R2,RAT= 110 110     209.1813602         1.358406962        0.3584069618    
FOB,PFOB,DIAG,PSTEP=   -0.1271608659E-01    0.1288232059E-01     12.23742266       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.8928294206E-01     1.910721401        0.9107170579    
FOB,PFOB,DIAG,PSTEP=    0.4016930383E-04    0.4410732722E-04     10.09186466       -0.4370573024E-05
J1,K1,R1,R2,RAT= 112 112     257.4777485       -0.7502518178        0.2497481822    
FOB,PFOB,DIAG,PSTEP=    0.3330538673E-01   -0.3311185677E-01     8.828417812        0.2921852351E-04
J1,K1,R1,R2,RAT= 113 113     145.5049857       -0.8019453061        0.1980546939    
FOB,PFOB,DIAG,PSTEP=    0.7927480815E-01   -0.7840575759E-01     5.747819072        0.1885372663E-03
J1,K1,R1,R2,RAT= 114 114    -3250.838045        0.6706751712        0.3293248288    
FOB,PFOB,DIAG,PSTEP=    0.9102809005       -0.9099053808         3.225851285       -0.1735705985E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00001      0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00000 
    -0.00001     -0.00001     -0.00000     -0.00000     -0.00001     -0.00002 
    -0.00002     -0.00001      0.00000     -0.00001      0.00001      0.00002 
     0.00000      0.00000     -0.00001     -0.00002     -0.00002     -0.00002 
    -0.00000     -0.00003      0.00001      0.00002     -0.00001     -0.00001 
     0.00002      0.00001     -0.00000     -0.00000     -0.00001      0.00001 
    -0.00001      0.00001      0.00000      0.00001     -0.00001     -0.00001 
    -0.00000     -0.00001      0.00002      0.00001      0.00000     -0.00000 
    -0.00002     -0.00000     -0.00000     -0.00002      0.00001     -0.00003 
     0.00000     -0.00000     -0.00002      0.00000      0.00003      0.00000 
     0.00000      0.00001     -0.00002      0.00002      0.00001      0.00001 
     0.00002      0.00000     -0.00001     -0.00001      0.00002      0.00002 
     0.00000     -0.00004      0.00003      0.00002     -0.00002     -0.00000 
     0.00002     -0.00001      0.00001      0.00001      0.00008      0.00003 
     0.00003      0.00004      0.00001     -0.00001      0.00082     -0.00098 
    -0.00005     -0.01272      0.00004      0.03331      0.07927      0.91028 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3853976342
 Log product of positive Hessian eigenvalues =          519.0757994163
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2258512849
 Unscaled step for mode    7=        0.0000000053
 Unscaled step for mode    8=        0.0000000080
 Unscaled step for mode    9=        0.0000000106
 Unscaled step for mode   10=       -0.0000000002
 Unscaled step for mode   11=        0.0000000013
 Unscaled step for mode   12=        0.0000000183
 Unscaled step for mode   13=        0.0000000026
 Unscaled step for mode   14=       -0.0000000117
 Unscaled step for mode   15=        0.0000000033
 Unscaled step for mode   16=        0.0000000004
 Unscaled step for mode   17=        0.0000000103
 Unscaled step for mode   18=        0.0000000033
 Unscaled step for mode   19=        0.0000000148
 Unscaled step for mode   20=        0.0000000045
 Unscaled step for mode   21=        0.0000000058
 Unscaled step for mode   22=        0.0000000196
 Unscaled step for mode   23=       -0.0000000192
 Unscaled step for mode   24=        0.0000000139
 Unscaled step for mode   25=        0.0000000229
 Unscaled step for mode   26=        0.0000000280
 Unscaled step for mode   27=        0.0000000064
 Unscaled step for mode   28=        0.0000000023
 Unscaled step for mode   29=        0.0000000255
 Unscaled step for mode   30=        0.0000000555
 Unscaled step for mode   31=        0.0000000545
 Unscaled step for mode   32=        0.0000000443
 Unscaled step for mode   33=       -0.0000000092
 Unscaled step for mode   34=        0.0000000199
 Unscaled step for mode   35=       -0.0000000530
 Unscaled step for mode   36=       -0.0000000704
 Unscaled step for mode   37=       -0.0000000032
 Unscaled step for mode   38=       -0.0000000111
 Unscaled step for mode   39=        0.0000000339
 Unscaled step for mode   40=        0.0000000786
 Unscaled step for mode   41=        0.0000000877
 Unscaled step for mode   42=        0.0000000868
 Unscaled step for mode   43=        0.0000000208
 Unscaled step for mode   44=        0.0000001320
 Unscaled step for mode   45=       -0.0000000462
 Unscaled step for mode   46=       -0.0000000891
 Unscaled step for mode   47=        0.0000000614
 Unscaled step for mode   48=        0.0000000381
 Unscaled step for mode   49=       -0.0000000868
 Unscaled step for mode   50=       -0.0000000634
 Unscaled step for mode   51=        0.0000000208
 Unscaled step for mode   52=        0.0000000061
 Unscaled step for mode   53=        0.0000000298
 Unscaled step for mode   54=       -0.0000000630
 Unscaled step for mode   55=        0.0000000825
 Unscaled step for mode   56=       -0.0000000650
 Unscaled step for mode   57=       -0.0000000206
 Unscaled step for mode   58=       -0.0000000964
 Unscaled step for mode   59=        0.0000000375
 Unscaled step for mode   60=        0.0000000450
 Unscaled step for mode   61=        0.0000000085
 Unscaled step for mode   62=        0.0000000835
 Unscaled step for mode   63=       -0.0000001190
 Unscaled step for mode   64=       -0.0000000878
 Unscaled step for mode   65=       -0.0000000383
 Unscaled step for mode   66=        0.0000000391
 Unscaled step for mode   67=        0.0000001676
 Unscaled step for mode   68=        0.0000000061
 Unscaled step for mode   69=        0.0000000198
 Unscaled step for mode   70=        0.0000002006
 Unscaled step for mode   71=       -0.0000000473
 Unscaled step for mode   72=        0.0000002769
 Unscaled step for mode   73=       -0.0000000408
 Unscaled step for mode   74=        0.0000000479
 Unscaled step for mode   75=        0.0000002119
 Unscaled step for mode   76=       -0.0000000500
 Unscaled step for mode   77=       -0.0000002964
 Unscaled step for mode   78=       -0.0000000544
 Unscaled step for mode   79=       -0.0000000498
 Unscaled step for mode   80=       -0.0000001086
 Unscaled step for mode   81=        0.0000002329
 Unscaled step for mode   82=       -0.0000001997
 Unscaled step for mode   83=       -0.0000000672
 Unscaled step for mode   84=       -0.0000001331
 Unscaled step for mode   85=       -0.0000002238
 Unscaled step for mode   86=       -0.0000000367
 Unscaled step for mode   87=        0.0000000903
 Unscaled step for mode   88=        0.0000002134
 Unscaled step for mode   89=       -0.0000003941
 Unscaled step for mode   90=       -0.0000003881
 Unscaled step for mode   91=       -0.0000000681
 Unscaled step for mode   92=        0.0000007820
 Unscaled step for mode   93=       -0.0000006630
 Unscaled step for mode   94=       -0.0000003521
 Unscaled step for mode   95=        0.0000003796
 Unscaled step for mode   96=        0.0000000821
 Unscaled step for mode   97=       -0.0000004485
 Unscaled step for mode   98=        0.0000003258
 Unscaled step for mode   99=       -0.0000002803
 Unscaled step for mode  100=       -0.0000003389
 Unscaled step for mode  101=       -0.0000026004
 Unscaled step for mode  102=       -0.0000010343
 Unscaled step for mode  103=       -0.0000010618
 Unscaled step for mode  104=       -0.0000015863
 Unscaled step for mode  105=       -0.0000005876
 Unscaled step for mode  106=        0.0000006711
 Unscaled step for mode  107=       -0.0000412093
 Unscaled step for mode  108=        0.0000592528
 Unscaled step for mode  109=        0.0000036167
 Unscaled step for mode  110=        0.0010391136
 Unscaled step for mode  111=       -0.0000039804
 Unscaled step for mode  112=       -0.0037724668
 Unscaled step for mode  113=       -0.0137895318
 Unscaled step for mode  114=        0.2627081285
 Largest modulus ratio of non-zero e/values=           231.2377329    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.560424E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.195964E-14    0.100665E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.187784E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.591730E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.123491E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.202106E-14    0.974245E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.393467E-05    0.745939E+03  0.527479E-08 0.100000E-04    0.884869E+00
   8   -0.540532E-05    0.674337E+03  0.801576E-08 0.100000E-04    0.897027E+00
   9   -0.667423E-05    0.630273E+03  0.105894E-07 0.100000E-04    0.889826E+00
  10    0.146411E-06    0.601025E+03 -0.243602E-09 0.100000E-04    0.825181E+00
  11   -0.777789E-06    0.586531E+03  0.132608E-08 0.100000E-04    0.924422E+00
  12   -0.105820E-04    0.578776E+03  0.182835E-07 0.100000E-04    0.892140E+00
  13   -0.148304E-05    0.565520E+03  0.262245E-08 0.100000E-04    0.885382E+00
  14    0.568899E-05    0.487429E+03 -0.116714E-07 0.100000E-04    0.894662E+00
  15   -0.153485E-05    0.460836E+03  0.333058E-08 0.100000E-04    0.880569E+00
  16   -0.200596E-06    0.459921E+03  0.436153E-09 0.100000E-04    0.790493E+00
  17   -0.453337E-05    0.441756E+03  0.102621E-07 0.100000E-04    0.883947E+00
  18   -0.142313E-05    0.429087E+03  0.331665E-08 0.100000E-04    0.900117E+00
  19   -0.626150E-05    0.422011E+03  0.148373E-07 0.100000E-04    0.891115E+00
  20   -0.183314E-05    0.408205E+03  0.449072E-08 0.100000E-04    0.916550E+00
  21   -0.228253E-05    0.396438E+03  0.575759E-08 0.100000E-04    0.894457E+00
  22   -0.760176E-05    0.387687E+03  0.196080E-07 0.100000E-04    0.897840E+00
  23    0.710229E-05    0.369924E+03 -0.191993E-07 0.100000E-04    0.894756E+00
  24   -0.499365E-05    0.360525E+03  0.138511E-07 0.100000E-04    0.890727E+00
  25   -0.801094E-05    0.349418E+03  0.229265E-07 0.100000E-04    0.897793E+00
  26   -0.938299E-05    0.335223E+03  0.279902E-07 0.100000E-04    0.884181E+00
  27   -0.212061E-05    0.329122E+03  0.644324E-08 0.100000E-04    0.870132E+00
  28   -0.727858E-06    0.321897E+03  0.226115E-08 0.100000E-04    0.882350E+00
  29   -0.813471E-05    0.318978E+03  0.255024E-07 0.100000E-04    0.884920E+00
  30   -0.171925E-04    0.309645E+03  0.555233E-07 0.100000E-04    0.905517E+00
  31   -0.163998E-04    0.300919E+03  0.544989E-07 0.100000E-04    0.896908E+00
  32   -0.128568E-04    0.290508E+03  0.442563E-07 0.100000E-04    0.902405E+00
  33    0.255513E-05    0.278719E+03 -0.916739E-08 0.100000E-04    0.889501E+00
  34   -0.543658E-05    0.272615E+03  0.199424E-07 0.100000E-04    0.885839E+00
  35    0.142153E-04    0.268430E+03 -0.529571E-07 0.100000E-04    0.898280E+00
  36    0.186600E-04    0.264887E+03 -0.704454E-07 0.100000E-04    0.902721E+00
  37    0.845239E-06    0.263616E+03 -0.320632E-08 0.100000E-04    0.837489E+00
  38    0.281596E-05    0.253271E+03 -0.111184E-07 0.100000E-04    0.882213E+00
  39   -0.819134E-05    0.241491E+03  0.339199E-07 0.100000E-04    0.904550E+00
  40   -0.189123E-04    0.240684E+03  0.785773E-07 0.100000E-04    0.898567E+00
  41   -0.205021E-04    0.233866E+03  0.876658E-07 0.100000E-04    0.893380E+00
  42   -0.197396E-04    0.227467E+03  0.867799E-07 0.100000E-04    0.902143E+00
  43   -0.452290E-05    0.217015E+03  0.208414E-07 0.100000E-04    0.876252E+00
  44   -0.283683E-04    0.214883E+03  0.132018E-06 0.100000E-04    0.897745E+00
  45    0.984552E-05    0.213277E+03 -0.461631E-07 0.100000E-04    0.905523E+00
  46    0.185011E-04    0.207579E+03 -0.891280E-07 0.100000E-04    0.896936E+00
  47   -0.124687E-04    0.203065E+03  0.614024E-07 0.100000E-04    0.897151E+00
  48   -0.744870E-05    0.195594E+03  0.380824E-07 0.100000E-04    0.899697E+00
  49    0.169001E-04    0.194787E+03 -0.867619E-07 0.100000E-04    0.899479E+00
  50    0.121261E-04    0.191326E+03 -0.633794E-07 0.100000E-04    0.907712E+00
  51   -0.381023E-05    0.182872E+03  0.208355E-07 0.100000E-04    0.882927E+00
  52   -0.107040E-05    0.174221E+03  0.614394E-08 0.100000E-04    0.934621E+00
  53   -0.513474E-05    0.172300E+03  0.298011E-07 0.100000E-04    0.902486E+00
  54    0.105886E-04    0.168161E+03 -0.629669E-07 0.100000E-04    0.898781E+00
  55   -0.134751E-04    0.163321E+03  0.825069E-07 0.100000E-04    0.906918E+00
  56    0.101935E-04    0.156933E+03 -0.649542E-07 0.100000E-04    0.897067E+00
  57    0.318590E-05    0.154843E+03 -0.205751E-07 0.100000E-04    0.905036E+00
  58    0.146829E-04    0.152268E+03 -0.964276E-07 0.100000E-04    0.906342E+00
  59   -0.550171E-05    0.146781E+03  0.374825E-07 0.100000E-04    0.895835E+00
  60   -0.645718E-05    0.143427E+03  0.450207E-07 0.100000E-04    0.907759E+00
  61   -0.117445E-05    0.137995E+03  0.851083E-08 0.100000E-04    0.821394E+00
  62   -0.113456E-04    0.135874E+03  0.835005E-07 0.100000E-04    0.895571E+00
  63    0.155172E-04    0.130348E+03 -0.119044E-06 0.100000E-04    0.912996E+00
  64    0.113024E-04    0.128794E+03 -0.877558E-07 0.100000E-04    0.883449E+00
  65    0.486251E-05    0.126859E+03 -0.383300E-07 0.100000E-04    0.904872E+00
  66   -0.486274E-05    0.124271E+03  0.391302E-07 0.100000E-04    0.905934E+00
  67   -0.201118E-04    0.119983E+03  0.167621E-06 0.100000E-04    0.903771E+00
  68   -0.720457E-06    0.118165E+03  0.609702E-08 0.100000E-04    0.889234E+00
  69   -0.231476E-05    0.116931E+03  0.197959E-07 0.100000E-04    0.936753E+00
  70   -0.221314E-04    0.110338E+03  0.200578E-06 0.100000E-04    0.901702E+00
  71    0.505110E-05    0.106895E+03 -0.472529E-07 0.100000E-04    0.889462E+00
  72   -0.289069E-04    0.104405E+03  0.276872E-06 0.100000E-04    0.892761E+00
  73    0.419846E-05    0.102844E+03 -0.408238E-07 0.100000E-04    0.880702E+00
  74   -0.476423E-05    0.995605E+02  0.478526E-07 0.100000E-04    0.926695E+00
  75   -0.203704E-04    0.961107E+02  0.211947E-06 0.100000E-04    0.892354E+00
  76    0.470316E-05    0.941516E+02 -0.499530E-07 0.100000E-04    0.916466E+00
  77    0.272935E-04    0.920719E+02 -0.296437E-06 0.100000E-04    0.907849E+00
  78    0.495751E-05    0.911683E+02 -0.543776E-07 0.100000E-04    0.912578E+00
  79    0.440510E-05    0.885100E+02 -0.497695E-07 0.100000E-04    0.900323E+00
  80    0.928927E-05    0.855537E+02 -0.108578E-06 0.100000E-04    0.896164E+00
  81   -0.188233E-04    0.808214E+02  0.232900E-06 0.100000E-04    0.904160E+00
  82    0.160593E-04    0.804018E+02 -0.199739E-06 0.100000E-04    0.896708E+00
  83    0.523858E-05    0.779840E+02 -0.671750E-07 0.100000E-04    0.899929E+00
  84    0.976163E-05    0.733251E+02 -0.133128E-06 0.100000E-04    0.890407E+00
  85    0.162595E-04    0.726577E+02 -0.223782E-06 0.100000E-04    0.909476E+00
  86    0.249401E-05    0.679813E+02 -0.366867E-07 0.100000E-04    0.926470E+00
  87   -0.585775E-05    0.648413E+02  0.903398E-07 0.100000E-04    0.861250E+00
  88   -0.131133E-04    0.614546E+02  0.213382E-06 0.100000E-04    0.903410E+00
  89    0.235974E-04    0.598807E+02 -0.394073E-06 0.100000E-04    0.902940E+00
  90    0.230510E-04    0.593984E+02 -0.388075E-06 0.100000E-04    0.893669E+00
  91    0.396236E-05    0.581845E+02 -0.681000E-07 0.100000E-04    0.974070E+00
  92   -0.437111E-04    0.558968E+02  0.781998E-06 0.100000E-04    0.905249E+00
  93    0.347956E-04    0.524796E+02 -0.663032E-06 0.100000E-04    0.908756E+00
  94    0.183408E-04    0.520922E+02 -0.352083E-06 0.100000E-04    0.899638E+00
  95   -0.190374E-04    0.501458E+02  0.379640E-06 0.100000E-04    0.909281E+00
  96   -0.380147E-05    0.462787E+02  0.821429E-07 0.100000E-04    0.986297E+00
  97    0.194123E-04    0.432811E+02 -0.448516E-06 0.100000E-04    0.904560E+00
  98   -0.133201E-04    0.408885E+02  0.325766E-06 0.100000E-04    0.912673E+00
  99    0.106196E-04    0.378924E+02 -0.280257E-06 0.100000E-04    0.865658E+00
 100    0.123030E-04    0.363015E+02 -0.338911E-06 0.100000E-04    0.886513E+00
 101    0.841685E-04    0.323672E+02 -0.260042E-05 0.100000E-04    0.918760E+00
 102    0.298415E-04    0.288512E+02 -0.103433E-05 0.100000E-04    0.893775E+00
 103    0.302069E-04    0.284494E+02 -0.106177E-05 0.100000E-04    0.886954E+00
 104    0.416883E-04    0.262796E+02 -0.158633E-05 0.100000E-04    0.872159E+00
 105    0.136976E-04    0.233131E+02 -0.587552E-06 0.100000E-04    0.959446E+00
 106   -0.142998E-04    0.213092E+02  0.671063E-06 0.100000E-04    0.889259E+00
 107    0.819247E-03    0.198802E+02 -0.100000E-04 0.100000E-04    0.977531E+00
 108   -0.977576E-03    0.164984E+02  0.100000E-04 0.100000E-04    0.891135E+00
 109   -0.502534E-04    0.138950E+02  0.361666E-05 0.100000E-04    0.887461E+00
 110   -0.127161E-01    0.122374E+02  0.100000E-04 0.100000E-04    0.358407E+00
 111    0.401693E-04    0.100919E+02 -0.398036E-05 0.100000E-04    0.910717E+00
 112    0.333054E-01    0.882842E+01 -0.263230E-04 0.263230E-04    0.249748E+00
 113    0.792748E-01    0.574782E+01 -0.205506E-03 0.205506E-03    0.198055E+00
 114    0.910281E+00    0.322585E+01  0.156370E-03 0.156370E-03    0.329325E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2055056203E-03    0.2627081285    

 Beginning of optimization cycle  511.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3009917723
 potential> RMS force:                                               0.0856799624   |gradient|=.9148116634    
 Eigenvalues of the Hessian matrix:
   745.98529    674.32311    630.29685    601.00925    586.52191    578.78984 
   565.48854    487.43086    460.82358    459.91316    441.75156    429.10108 
   422.00904    408.19400    396.43322    387.67786    369.93054    360.52573 
   349.41600    335.22985    329.13363    321.89480    318.98504    309.63571 
   300.91316    290.51313    278.73224    272.62255    268.43799    264.89076 
   263.63074    253.26758    241.49298    240.69254    233.87314    227.47072 
   217.01896    214.88348    213.27527    207.58396    203.06079    195.58582 
   194.79092    191.32760    182.87610    174.22726    172.30048    168.16558 
   163.31434    156.92845    154.84741    152.26875    146.77305    143.42275 
   138.00072    135.87405    130.34499    128.79602    126.86107    124.25992 
   119.98424    118.16534    116.92627    110.33909    106.89155    104.40608 
   102.84249     99.55858     96.11020     94.14891     92.06463     91.17156 
    88.50423     85.55676     80.82159     80.40776     77.98149     73.32351 
    72.65256     67.97670     64.83563     61.44775     59.87795     59.39800 
    58.18008     55.89376     52.47787     52.08799     50.14952     46.27251 
    43.28573     40.88960     37.89085     36.29500     32.36099     28.85299 
    28.44950     26.27976     23.31378     21.30988     19.87756     16.49618 
    13.89540     12.23734     10.09182      8.83870      5.74665      3.22282 
overlap for current and previous eigenvector    109 is         0.9999993391
overlap for current and previous eigenvector    110 is        -0.9999998722
overlap for current and previous eigenvector    111 is         0.9999987479
overlap for current and previous eigenvector    112 is        -0.9999971816
overlap for current and previous eigenvector    113 is        -0.9999955330
overlap for current and previous eigenvector    114 is        -0.9999971336
J1,K1,R1,R2,RAT=   7   7    0.1038095925         1.896065051        0.8960650514    
FOB,PFOB,DIAG,PSTEP=   -0.3526186380E-05   -0.3934668295E-05     745.9852947        0.5274788868E-08
J1,K1,R1,R2,RAT=   8   8    0.5119555563E-01     1.948846010        0.9488044444    
FOB,PFOB,DIAG,PSTEP=   -0.5128601508E-05   -0.5405324340E-05     674.3231130        0.8015759657E-08
J1,K1,R1,R2,RAT=   9   9   -0.1511253181E-01     2.015036265        0.9848874682    
FOB,PFOB,DIAG,PSTEP=   -0.6775102747E-05   -0.6674234322E-05     630.2968453        0.1058943717E-07
J1,K1,R1,R2,RAT=  10  10     2.728060864       -0.7280100891        0.2719899109    
FOB,PFOB,DIAG,PSTEP=   -0.2529962784E-06    0.1464105945E-06     601.0092464       -0.2436017057E-09
J1,K1,R1,R2,RAT=  11  11    0.2814586003         1.718571304        0.7185413997    
FOB,PFOB,DIAG,PSTEP=   -0.5588766002E-06   -0.7777886246E-06     586.5219108        0.1326083443E-08
J1,K1,R1,R2,RAT= 109 109    0.3398309745E-01     1.965957196        0.9659571965    
FOB,PFOB,DIAG,PSTEP=   -0.4854558867E-04   -0.5025340605E-04     13.89539612        0.3616658775E-05
J1,K1,R1,R2,RAT= 110 110     206.2931842         1.531139707        0.5311397068    
FOB,PFOB,DIAG,PSTEP=    0.1252871579E-01   -0.1271608659E-01     12.23734196        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1189303591         1.881078561        0.8810696409    
FOB,PFOB,DIAG,PSTEP=    0.3539197541E-04    0.4016930383E-04     10.09181965       -0.3980364898E-05
J1,K1,R1,R2,RAT= 112 112     287.2874956       -0.9878470716        0.1215292837E-01
FOB,PFOB,DIAG,PSTEP=   -0.3353522025E-01    0.3330538673E-01     8.838699614       -0.2632299415E-04
J1,K1,R1,R2,RAT= 113 113     135.0035837       -0.7497171175        0.2502828825    
FOB,PFOB,DIAG,PSTEP=   -0.8016020061E-01    0.7927480815E-01     5.746649231       -0.2055056203E-03
J1,K1,R1,R2,RAT= 114 114    -3613.175119        0.6103603381        0.3896396619    
FOB,PFOB,DIAG,PSTEP=   -0.9105884933        0.9102809005         3.222824102        0.1563699086E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00001     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00000 
    -0.00001     -0.00001     -0.00000     -0.00000     -0.00001     -0.00002 
    -0.00002     -0.00001      0.00000     -0.00000      0.00001      0.00002 
    -0.00000      0.00000     -0.00001     -0.00002     -0.00002     -0.00002 
    -0.00000     -0.00003      0.00001      0.00002     -0.00001     -0.00001 
     0.00002      0.00001     -0.00000     -0.00000      0.00000     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00001      0.00001      0.00000 
     0.00000     -0.00001     -0.00002      0.00001     -0.00001     -0.00001 
     0.00002     -0.00000     -0.00000      0.00002     -0.00001      0.00002 
     0.00000      0.00000     -0.00002      0.00000     -0.00002      0.00000 
     0.00000      0.00001      0.00002      0.00002     -0.00001      0.00001 
     0.00002      0.00000     -0.00000      0.00001     -0.00002     -0.00002 
     0.00001      0.00004      0.00003      0.00002     -0.00002     -0.00001 
     0.00002      0.00001      0.00000      0.00001      0.00009      0.00002 
     0.00003      0.00003      0.00002     -0.00002      0.00083     -0.00101 
    -0.00005      0.01253      0.00004     -0.03354     -0.08016     -0.91059 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3853229321
 Log product of positive Hessian eigenvalues =          519.0747206109
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2228241024
 Unscaled step for mode    7=        0.0000000047
 Unscaled step for mode    8=        0.0000000076
 Unscaled step for mode    9=        0.0000000107
 Unscaled step for mode   10=        0.0000000004
 Unscaled step for mode   11=        0.0000000010
 Unscaled step for mode   12=        0.0000000182
 Unscaled step for mode   13=        0.0000000025
 Unscaled step for mode   14=       -0.0000000116
 Unscaled step for mode   15=        0.0000000041
 Unscaled step for mode   16=        0.0000000016
 Unscaled step for mode   17=        0.0000000117
 Unscaled step for mode   18=        0.0000000041
 Unscaled step for mode   19=        0.0000000120
 Unscaled step for mode   20=        0.0000000052
 Unscaled step for mode   21=        0.0000000066
 Unscaled step for mode   22=        0.0000000181
 Unscaled step for mode   23=       -0.0000000202
 Unscaled step for mode   24=        0.0000000130
 Unscaled step for mode   25=        0.0000000192
 Unscaled step for mode   26=        0.0000000222
 Unscaled step for mode   27=        0.0000000031
 Unscaled step for mode   28=        0.0000000048
 Unscaled step for mode   29=        0.0000000185
 Unscaled step for mode   30=        0.0000000543
 Unscaled step for mode   31=        0.0000000524
 Unscaled step for mode   32=        0.0000000431
 Unscaled step for mode   33=       -0.0000000052
 Unscaled step for mode   34=        0.0000000147
 Unscaled step for mode   35=       -0.0000000500
 Unscaled step for mode   36=       -0.0000000658
 Unscaled step for mode   37=        0.0000000009
 Unscaled step for mode   38=       -0.0000000098
 Unscaled step for mode   39=        0.0000000282
 Unscaled step for mode   40=        0.0000000718
 Unscaled step for mode   41=        0.0000000784
 Unscaled step for mode   42=        0.0000000847
 Unscaled step for mode   43=        0.0000000189
 Unscaled step for mode   44=        0.0000001247
 Unscaled step for mode   45=       -0.0000000422
 Unscaled step for mode   46=       -0.0000000816
 Unscaled step for mode   47=        0.0000000577
 Unscaled step for mode   48=        0.0000000432
 Unscaled step for mode   49=       -0.0000000818
 Unscaled step for mode   50=       -0.0000000720
 Unscaled step for mode   51=        0.0000000156
 Unscaled step for mode   52=        0.0000000108
 Unscaled step for mode   53=       -0.0000000251
 Unscaled step for mode   54=        0.0000000555
 Unscaled step for mode   55=        0.0000000760
 Unscaled step for mode   56=        0.0000000637
 Unscaled step for mode   57=        0.0000000123
 Unscaled step for mode   58=        0.0000000886
 Unscaled step for mode   59=       -0.0000000346
 Unscaled step for mode   60=       -0.0000000347
 Unscaled step for mode   61=       -0.0000000134
 Unscaled step for mode   62=        0.0000000796
 Unscaled step for mode   63=        0.0000001333
 Unscaled step for mode   64=       -0.0000000651
 Unscaled step for mode   65=        0.0000000549
 Unscaled step for mode   66=        0.0000000455
 Unscaled step for mode   67=       -0.0000001645
 Unscaled step for mode   68=        0.0000000103
 Unscaled step for mode   69=        0.0000000127
 Unscaled step for mode   70=       -0.0000001937
 Unscaled step for mode   71=        0.0000000509
 Unscaled step for mode   72=       -0.0000002275
 Unscaled step for mode   73=       -0.0000000287
 Unscaled step for mode   74=       -0.0000000383
 Unscaled step for mode   75=        0.0000001686
 Unscaled step for mode   76=       -0.0000000524
 Unscaled step for mode   77=        0.0000002623
 Unscaled step for mode   78=       -0.0000000428
 Unscaled step for mode   79=       -0.0000000493
 Unscaled step for mode   80=       -0.0000001063
 Unscaled step for mode   81=       -0.0000002164
 Unscaled step for mode   82=       -0.0000001973
 Unscaled step for mode   83=        0.0000000701
 Unscaled step for mode   84=       -0.0000000707
 Unscaled step for mode   85=       -0.0000002546
 Unscaled step for mode   86=       -0.0000000087
 Unscaled step for mode   87=        0.0000000280
 Unscaled step for mode   88=       -0.0000001910
 Unscaled step for mode   89=        0.0000003942
 Unscaled step for mode   90=        0.0000003680
 Unscaled step for mode   91=       -0.0000001534
 Unscaled step for mode   92=       -0.0000007743
 Unscaled step for mode   93=       -0.0000006372
 Unscaled step for mode   94=       -0.0000002950
 Unscaled step for mode   95=        0.0000004163
 Unscaled step for mode   96=        0.0000001278
 Unscaled step for mode   97=       -0.0000005632
 Unscaled step for mode   98=       -0.0000002126
 Unscaled step for mode   99=       -0.0000000702
 Unscaled step for mode  100=       -0.0000002176
 Unscaled step for mode  101=       -0.0000028016
 Unscaled step for mode  102=       -0.0000007698
 Unscaled step for mode  103=       -0.0000010025
 Unscaled step for mode  104=       -0.0000011735
 Unscaled step for mode  105=       -0.0000009049
 Unscaled step for mode  106=        0.0000008492
 Unscaled step for mode  107=       -0.0000417324
 Unscaled step for mode  108=        0.0000612273
 Unscaled step for mode  109=        0.0000034936
 Unscaled step for mode  110=       -0.0010238091
 Unscaled step for mode  111=       -0.0000035070
 Unscaled step for mode  112=        0.0037940805
 Unscaled step for mode  113=        0.0139463201
 Unscaled step for mode  114=       -0.2630003401
 Largest modulus ratio of non-zero e/values=           231.4694414    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.681313E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.182433E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.226869E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.873867E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.143360E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.201990E-14    0.974247E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.352619E-05    0.745985E+03  0.472688E-08 0.100000E-04    0.896065E+00
   8   -0.512860E-05    0.674323E+03  0.760555E-08 0.100000E-04    0.948804E+00
   9   -0.677510E-05    0.630297E+03  0.107491E-07 0.100000E-04    0.984887E+00
  10   -0.252996E-06    0.601009E+03  0.420952E-09 0.100000E-04    0.271990E+00
  11   -0.558877E-06    0.586522E+03  0.952866E-09 0.100000E-04    0.718541E+00
  12   -0.105492E-04    0.578790E+03  0.182263E-07 0.100000E-04    0.996849E+00
  13   -0.141440E-05    0.565489E+03  0.250119E-08 0.100000E-04    0.953709E+00
  14    0.566125E-05    0.487431E+03 -0.116145E-07 0.100000E-04    0.995115E+00
  15   -0.188315E-05    0.460824E+03  0.408650E-08 0.100000E-04    0.773065E+00
  16   -0.725554E-06    0.459913E+03  0.157759E-08 0.100000E-04    0.161704E+01
  17   -0.517785E-05    0.441752E+03  0.117212E-07 0.100000E-04    0.857835E+00
  18   -0.175930E-05    0.429101E+03  0.409997E-08 0.100000E-04    0.763790E+00
  19   -0.507426E-05    0.422009E+03  0.120240E-07 0.100000E-04    0.810388E+00
  20   -0.212775E-05    0.408194E+03  0.521260E-08 0.100000E-04    0.839279E+00
  21   -0.262298E-05    0.396433E+03  0.661644E-08 0.100000E-04    0.850844E+00
  22   -0.702396E-05    0.387678E+03  0.181180E-07 0.100000E-04    0.923990E+00
  23    0.745944E-05    0.369931E+03 -0.201644E-07 0.100000E-04    0.949714E+00
  24   -0.467550E-05    0.360526E+03  0.129686E-07 0.100000E-04    0.936283E+00
  25   -0.669711E-05    0.349416E+03  0.191666E-07 0.100000E-04    0.835994E+00
  26   -0.744853E-05    0.335230E+03  0.222192E-07 0.100000E-04    0.793799E+00
  27   -0.101416E-05    0.329134E+03  0.308129E-08 0.100000E-04    0.478185E+00
  28   -0.156054E-05    0.321895E+03  0.484797E-08 0.109000E-04    0.144021E+00
  29   -0.591108E-05    0.318985E+03  0.185309E-07 0.100000E-04    0.726613E+00
  30   -0.168049E-04    0.309636E+03  0.542733E-07 0.100000E-04    0.977456E+00
  31   -0.157563E-04    0.300913E+03  0.523617E-07 0.100000E-04    0.960765E+00
  32   -0.125336E-04    0.290513E+03  0.431430E-07 0.100000E-04    0.974827E+00
  33    0.144233E-05    0.278732E+03 -0.517462E-08 0.100000E-04    0.564413E+00
  34   -0.399574E-05    0.272623E+03  0.146567E-07 0.100000E-04    0.734923E+00
  35    0.134229E-04    0.268438E+03 -0.500037E-07 0.100000E-04    0.944200E+00
  36    0.174243E-04    0.264891E+03 -0.657792E-07 0.100000E-04    0.933747E+00
  37   -0.241138E-06    0.263631E+03  0.914682E-09 0.100000E-04    0.285219E+00
  38    0.247497E-05    0.253268E+03 -0.977215E-08 0.100000E-04    0.878907E+00
  39   -0.682013E-05    0.241493E+03  0.282415E-07 0.100000E-04    0.832584E+00
  40   -0.172845E-04    0.240693E+03  0.718115E-07 0.100000E-04    0.913860E+00
  41   -0.183416E-04    0.233873E+03  0.784256E-07 0.100000E-04    0.894568E+00
  42   -0.192779E-04    0.227471E+03  0.847491E-07 0.100000E-04    0.976583E+00
  43   -0.411239E-05    0.217019E+03  0.189494E-07 0.100000E-04    0.909201E+00
  44   -0.268045E-04    0.214883E+03  0.124740E-06 0.100000E-04    0.944871E+00
  45    0.900474E-05    0.213275E+03 -0.422212E-07 0.100000E-04    0.914602E+00
  46    0.169451E-04    0.207584E+03 -0.816302E-07 0.100000E-04    0.915850E+00
  47   -0.117258E-04    0.203061E+03  0.577453E-07 0.100000E-04    0.940417E+00
  48   -0.844967E-05    0.195586E+03  0.432019E-07 0.100000E-04    0.865612E+00
  49    0.159433E-04    0.194791E+03 -0.818485E-07 0.100000E-04    0.943351E+00
  50    0.137686E-04    0.191328E+03 -0.719635E-07 0.100000E-04    0.864550E+00
  51   -0.286126E-05    0.182876E+03  0.156459E-07 0.100000E-04    0.750902E+00
  52   -0.188174E-05    0.174227E+03  0.108005E-07 0.100000E-04    0.242054E+00
  53    0.432841E-05    0.172300E+03 -0.251213E-07 0.100000E-04    0.842962E+00
  54   -0.933870E-05    0.168166E+03  0.555328E-07 0.100000E-04    0.881909E+00
  55   -0.124141E-04    0.163314E+03  0.760134E-07 0.100000E-04    0.921259E+00
  56   -0.100016E-04    0.156928E+03  0.637336E-07 0.100000E-04    0.981177E+00
  57   -0.190067E-05    0.154847E+03  0.122745E-07 0.100000E-04    0.596541E+00
  58   -0.134934E-04    0.152269E+03  0.886160E-07 0.100000E-04    0.918988E+00
  59    0.507283E-05    0.146773E+03 -0.345624E-07 0.100000E-04    0.922043E+00
  60    0.498131E-05    0.143423E+03 -0.347316E-07 0.100000E-04    0.771431E+00
  61    0.184781E-05    0.138001E+03 -0.133899E-07 0.100000E-04    0.426682E+00
  62   -0.108203E-04    0.135874E+03  0.796345E-07 0.100000E-04    0.953698E+00
  63   -0.173732E-04    0.130345E+03  0.133286E-06 0.100000E-04    0.880389E+00
  64    0.838600E-05    0.128796E+03 -0.651107E-07 0.100000E-04    0.741934E+00
  65   -0.695914E-05    0.126861E+03  0.548564E-07 0.100000E-04    0.568824E+00
  66   -0.564782E-05    0.124260E+03  0.454516E-07 0.100000E-04    0.838539E+00
  67    0.197332E-04    0.119984E+03 -0.164465E-06 0.100000E-04    0.981163E+00
  68   -0.121753E-05    0.118165E+03  0.103036E-07 0.100000E-04    0.310064E+00
  69   -0.148769E-05    0.116926E+03  0.127234E-07 0.100000E-04    0.642683E+00
  70    0.213710E-04    0.110339E+03 -0.193685E-06 0.100000E-04    0.965626E+00
  71   -0.543987E-05    0.106892E+03  0.508915E-07 0.100000E-04    0.923029E+00
  72    0.237495E-04    0.104406E+03 -0.227472E-06 0.100000E-04    0.821573E+00
  73    0.295640E-05    0.102842E+03 -0.287469E-07 0.100000E-04    0.704159E+00
  74    0.381687E-05    0.995586E+02 -0.383380E-07 0.100000E-04    0.801148E+00
  75   -0.162024E-04    0.961102E+02  0.168581E-06 0.100000E-04    0.795385E+00
  76    0.493048E-05    0.941489E+02 -0.523690E-07 0.100000E-04    0.951664E+00
  77   -0.241484E-04    0.920646E+02  0.262299E-06 0.100000E-04    0.884760E+00
  78    0.389909E-05    0.911716E+02 -0.427665E-07 0.100000E-04    0.786437E+00
  79    0.436720E-05    0.885042E+02 -0.493445E-07 0.100000E-04    0.991394E+00
  80    0.909312E-05    0.855568E+02 -0.106282E-06 0.100000E-04    0.978813E+00
  81    0.174917E-04    0.808216E+02 -0.216424E-06 0.100000E-04    0.929252E+00
  82    0.158609E-04    0.804078E+02 -0.197256E-06 0.100000E-04    0.987496E+00
  83   -0.546404E-05    0.779815E+02  0.700685E-07 0.100000E-04    0.956959E+00
  84    0.518431E-05    0.733235E+02 -0.707046E-07 0.100000E-04    0.531080E+00
  85    0.184973E-04    0.726526E+02 -0.254600E-06 0.100000E-04    0.862358E+00
  86    0.590633E-06    0.679767E+02 -0.868876E-08 0.100000E-04    0.236769E+00
  87   -0.181756E-05    0.648356E+02  0.280334E-07 0.100000E-04    0.310223E+00
  88    0.117371E-04    0.614478E+02 -0.191009E-06 0.100000E-04    0.895041E+00
  89   -0.236030E-04    0.598779E+02  0.394185E-06 0.100000E-04    0.999761E+00
  90   -0.218583E-04    0.593980E+02  0.367997E-06 0.100000E-04    0.948255E+00
  91    0.892768E-05    0.581801E+02 -0.153449E-06 0.100000E-04    0.253216E+00
  92    0.432766E-04    0.558938E+02 -0.774264E-06 0.100000E-04    0.990057E+00
  93    0.334405E-04    0.524779E+02 -0.637231E-06 0.100000E-04    0.961054E+00
  94    0.153651E-04    0.520880E+02 -0.294984E-06 0.100000E-04    0.837745E+00
  95   -0.208785E-04    0.501495E+02  0.416325E-06 0.100000E-04    0.903297E+00
  96   -0.591324E-05    0.462725E+02  0.127792E-06 0.100000E-04    0.444411E+00
  97    0.243804E-04    0.432857E+02 -0.563244E-06 0.100000E-04    0.744100E+00
  98    0.869432E-05    0.408896E+02 -0.212629E-06 0.100000E-04    0.652677E+00
  99    0.265925E-05    0.378908E+02 -0.701818E-07 0.100000E-04    0.250378E+00
 100    0.789699E-05    0.362950E+02 -0.217578E-06 0.100000E-04    0.641813E+00
 101    0.906626E-04    0.323610E+02 -0.280160E-05 0.100000E-04    0.922828E+00
 102    0.222098E-04    0.288530E+02 -0.769757E-06 0.100000E-04    0.744149E+00
 103    0.285205E-04    0.284495E+02 -0.100249E-05 0.100000E-04    0.944167E+00
 104    0.308403E-04    0.262798E+02 -0.117354E-05 0.100000E-04    0.739776E+00
 105    0.210961E-04    0.233138E+02 -0.904877E-06 0.100000E-04    0.459889E+00
 106   -0.180965E-04    0.213099E+02  0.849208E-06 0.100000E-04    0.734499E+00
 107    0.829538E-03    0.198776E+02 -0.100000E-04 0.100000E-04    0.948228E+00
 108   -0.101002E-02    0.164962E+02  0.100000E-04 0.100000E-04    0.803346E+00
 109   -0.485456E-04    0.138954E+02  0.349365E-05 0.100000E-04    0.965957E+00
 110    0.125287E-01    0.122373E+02 -0.100000E-04 0.100000E-04    0.531140E+00
 111    0.353920E-04    0.100918E+02 -0.350700E-05 0.100000E-04    0.881070E+00
 112   -0.335352E-01    0.883870E+01  0.286921E-04 0.286921E-04    0.121529E-01
 113   -0.801602E-01    0.574665E+01  0.185140E-03 0.185140E-03    0.250283E+00
 114   -0.910588E+00    0.322282E+01 -0.140874E-03 0.140874E-03    0.389640E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1851401984E-03    0.2630003401    

 Beginning of optimization cycle  512.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3008793050
 potential> RMS force:                                               0.0857124943   |gradient|=.9151590086    
 Eigenvalues of the Hessian matrix:
   746.02773    674.31076    630.31894    600.99467    586.51409    578.80196 
   565.45976    487.43261    460.81227    459.90572    441.74726    429.11335 
   422.00663    408.18361    396.42882    387.66936    369.93606    360.52679 
   349.41345    335.23554    329.14389    321.89259    318.99095    309.62650 
   300.90740    290.51779    278.74420    272.62964    268.44472    264.89433 
   263.64339    253.26432    241.49505    240.70022    233.87936    227.47369 
   217.02275    214.88389    213.27378    207.58874    203.05658    195.57790 
   194.79415    191.32934    182.87977    174.23335    172.30100    168.16957 
   163.30877    156.92407    154.85148    152.26901    146.76626    143.41910 
   138.00589    135.87370    130.34216    128.79824    126.86277    124.24988 
   119.98515    118.16542    116.92186    110.33998    106.88853    104.40683 
   102.84166     99.55683     96.10976     94.14655     92.05808     91.17451 
    88.49898     85.55950     80.82179     80.41311     77.97922     73.32208 
    72.64795     67.97271     64.83056     61.44156     59.87543     59.39775 
    58.17629     55.89119     52.47636     52.08428     50.15302     46.26690 
    43.28985     40.89064     37.88951     36.28944     32.35542     28.85474 
    28.44958     26.27997     23.31433     21.31069     19.87522     16.49421 
    13.89580     12.23730     10.09174      8.84825      5.74569      3.22006 
overlap for current and previous eigenvector    109 is         0.9999994446
overlap for current and previous eigenvector    110 is        -0.9999999028
overlap for current and previous eigenvector    111 is        -0.9999989637
overlap for current and previous eigenvector    112 is         0.9999975963
overlap for current and previous eigenvector    113 is         0.9999962136
overlap for current and previous eigenvector    114 is         0.9999976065
J1,K1,R1,R2,RAT=   7   7    0.1121868225         1.887699426        0.8876994263    
FOB,PFOB,DIAG,PSTEP=   -0.3130572234E-05   -0.3526186380E-05     746.0277255        0.4726884572E-08
J1,K1,R1,R2,RAT=   8   8    0.9691288340E-01     1.903123758        0.9030871166    
FOB,PFOB,DIAG,PSTEP=   -0.4631583054E-05   -0.5128601508E-05     674.3107590        0.7605554977E-08
J1,K1,R1,R2,RAT=   9   9    0.9636468639E-01     1.903565215        0.9035652154    
FOB,PFOB,DIAG,PSTEP=   -0.6122199212E-05   -0.6775102747E-05     630.3189374        0.1074906657E-07
J1,K1,R1,R2,RAT=  10  10    0.4112600396         1.588788459        0.5887399604    
FOB,PFOB,DIAG,PSTEP=   -0.1489515419E-06   -0.2529962784E-06     600.9946728        0.4209523896E-09
J1,K1,R1,R2,RAT=  11  11    0.1040847853         1.895941868        0.8959152147    
FOB,PFOB,DIAG,PSTEP=   -0.5007068245E-06   -0.5588766002E-06     586.5140946        0.9528656814E-09
J1,K1,R1,R2,RAT= 109 109    0.7677796957E-01     1.923164172        0.9231641719    
FOB,PFOB,DIAG,PSTEP=   -0.4481824911E-04   -0.4854558867E-04     13.89579812        0.3493645539E-05
J1,K1,R1,R2,RAT= 110 110     203.2896221         1.473197135        0.4731971346    
FOB,PFOB,DIAG,PSTEP=   -0.1234843630E-01    0.1252871579E-01     12.23729565       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.931524741        0.6849094765E-01    0.9315090523    
FOB,PFOB,DIAG,PSTEP=   -0.3296796449E-04    0.3539197541E-04     10.09174048       -0.3506996423E-05
J1,K1,R1,R2,RAT= 112 112   -0.6725362218         264.8597475        0.3274637782    
FOB,PFOB,DIAG,PSTEP=   -0.3370596016E-01   -0.3353522025E-01     8.848254038        0.2869206362E-04
J1,K1,R1,R2,RAT= 113 113   -0.7742959887         151.4856510        0.2257040113    
FOB,PFOB,DIAG,PSTEP=   -0.8098386412E-01   -0.8016020061E-01     5.745688693        0.1851401984E-03
J1,K1,R1,R2,RAT= 114 114    0.6001719791        -4015.346121        0.3998280209    
FOB,PFOB,DIAG,PSTEP=   -0.9108607445       -0.9105884933         3.220059389       -0.1408737915E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00001     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00001      0.00001     -0.00000 
    -0.00001     -0.00001     -0.00000     -0.00000     -0.00001     -0.00002 
    -0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00002 
    -0.00000      0.00000     -0.00001     -0.00002     -0.00002     -0.00002 
    -0.00000     -0.00002      0.00001      0.00002     -0.00001     -0.00001 
     0.00001      0.00001     -0.00000     -0.00000      0.00000     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00001      0.00000      0.00000 
     0.00000     -0.00001      0.00002     -0.00001      0.00001     -0.00001 
     0.00002     -0.00000     -0.00000      0.00002     -0.00000      0.00002 
     0.00000      0.00000     -0.00001      0.00000     -0.00002     -0.00000 
     0.00000      0.00001      0.00002      0.00001     -0.00000      0.00000 
     0.00002      0.00000     -0.00000      0.00001     -0.00002     -0.00002 
     0.00001      0.00004      0.00003      0.00001     -0.00002      0.00001 
     0.00002      0.00001      0.00000      0.00001      0.00008      0.00002 
     0.00003      0.00003      0.00002     -0.00002      0.00082     -0.00103 
    -0.00004     -0.01235     -0.00003     -0.03371     -0.08098     -0.91086 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3852394209
 Log product of positive Hessian eigenvalues =          519.0738181572
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2200593889
 Unscaled step for mode    7=        0.0000000042
 Unscaled step for mode    8=        0.0000000069
 Unscaled step for mode    9=        0.0000000097
 Unscaled step for mode   10=        0.0000000002
 Unscaled step for mode   11=        0.0000000009
 Unscaled step for mode   12=        0.0000000165
 Unscaled step for mode   13=        0.0000000021
 Unscaled step for mode   14=       -0.0000000104
 Unscaled step for mode   15=        0.0000000039
 Unscaled step for mode   16=        0.0000000014
 Unscaled step for mode   17=        0.0000000105
 Unscaled step for mode   18=        0.0000000040
 Unscaled step for mode   19=        0.0000000107
 Unscaled step for mode   20=        0.0000000049
 Unscaled step for mode   21=        0.0000000061
 Unscaled step for mode   22=        0.0000000165
 Unscaled step for mode   23=       -0.0000000183
 Unscaled step for mode   24=        0.0000000117
 Unscaled step for mode   25=        0.0000000169
 Unscaled step for mode   26=        0.0000000194
 Unscaled step for mode   27=        0.0000000022
 Unscaled step for mode   28=        0.0000000045
 Unscaled step for mode   29=        0.0000000162
 Unscaled step for mode   30=        0.0000000494
 Unscaled step for mode   31=        0.0000000467
 Unscaled step for mode   32=        0.0000000397
 Unscaled step for mode   33=       -0.0000000049
 Unscaled step for mode   34=        0.0000000132
 Unscaled step for mode   35=       -0.0000000451
 Unscaled step for mode   36=       -0.0000000599
 Unscaled step for mode   37=        0.0000000014
 Unscaled step for mode   38=       -0.0000000085
 Unscaled step for mode   39=        0.0000000255
 Unscaled step for mode   40=        0.0000000652
 Unscaled step for mode   41=        0.0000000700
 Unscaled step for mode   42=        0.0000000772
 Unscaled step for mode   43=        0.0000000162
 Unscaled step for mode   44=        0.0000001124
 Unscaled step for mode   45=       -0.0000000385
 Unscaled step for mode   46=       -0.0000000734
 Unscaled step for mode   47=        0.0000000518
 Unscaled step for mode   48=        0.0000000397
 Unscaled step for mode   49=       -0.0000000730
 Unscaled step for mode   50=       -0.0000000644
 Unscaled step for mode   51=        0.0000000130
 Unscaled step for mode   52=        0.0000000109
 Unscaled step for mode   53=       -0.0000000227
 Unscaled step for mode   54=        0.0000000493
 Unscaled step for mode   55=        0.0000000694
 Unscaled step for mode   56=        0.0000000595
 Unscaled step for mode   57=        0.0000000105
 Unscaled step for mode   58=        0.0000000808
 Unscaled step for mode   59=       -0.0000000322
 Unscaled step for mode   60=       -0.0000000308
 Unscaled step for mode   61=       -0.0000000123
 Unscaled step for mode   62=        0.0000000720
 Unscaled step for mode   63=       -0.0000001216
 Unscaled step for mode   64=        0.0000000572
 Unscaled step for mode   65=       -0.0000000503
 Unscaled step for mode   66=        0.0000000410
 Unscaled step for mode   67=       -0.0000001498
 Unscaled step for mode   68=        0.0000000102
 Unscaled step for mode   69=        0.0000000122
 Unscaled step for mode   70=       -0.0000001729
 Unscaled step for mode   71=        0.0000000461
 Unscaled step for mode   72=       -0.0000002042
 Unscaled step for mode   73=       -0.0000000246
 Unscaled step for mode   74=       -0.0000000361
 Unscaled step for mode   75=        0.0000001501
 Unscaled step for mode   76=       -0.0000000461
 Unscaled step for mode   77=        0.0000002396
 Unscaled step for mode   78=        0.0000000321
 Unscaled step for mode   79=       -0.0000000467
 Unscaled step for mode   80=       -0.0000000932
 Unscaled step for mode   81=       -0.0000001960
 Unscaled step for mode   82=       -0.0000001761
 Unscaled step for mode   83=        0.0000000559
 Unscaled step for mode   84=       -0.0000000649
 Unscaled step for mode   85=       -0.0000002303
 Unscaled step for mode   86=       -0.0000000071
 Unscaled step for mode   87=        0.0000000202
 Unscaled step for mode   88=       -0.0000001839
 Unscaled step for mode   89=        0.0000003565
 Unscaled step for mode   90=        0.0000003310
 Unscaled step for mode   91=       -0.0000001558
 Unscaled step for mode   92=       -0.0000006979
 Unscaled step for mode   93=       -0.0000005889
 Unscaled step for mode   94=       -0.0000002675
 Unscaled step for mode   95=        0.0000003716
 Unscaled step for mode   96=       -0.0000001287
 Unscaled step for mode   97=       -0.0000005038
 Unscaled step for mode   98=       -0.0000001996
 Unscaled step for mode   99=       -0.0000000498
 Unscaled step for mode  100=       -0.0000001726
 Unscaled step for mode  101=       -0.0000025964
 Unscaled step for mode  102=       -0.0000006891
 Unscaled step for mode  103=       -0.0000009033
 Unscaled step for mode  104=       -0.0000010662
 Unscaled step for mode  105=       -0.0000009021
 Unscaled step for mode  106=        0.0000008542
 Unscaled step for mode  107=       -0.0000413110
 Unscaled step for mode  108=        0.0000622530
 Unscaled step for mode  109=        0.0000032253
 Unscaled step for mode  110=        0.0010090811
 Unscaled step for mode  111=        0.0000032668
 Unscaled step for mode  112=        0.0038092793
 Unscaled step for mode  113=        0.0140919194
 Unscaled step for mode  114=       -0.2632653929
 Largest modulus ratio of non-zero e/values=           231.6813560    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.569748E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.171949E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.489843E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.105278E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.212937E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.230764E-14    0.974249E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.313057E-05    0.746028E+03  0.419632E-08 0.100000E-04    0.887699E+00
   8   -0.463158E-05    0.674311E+03  0.686862E-08 0.100000E-04    0.903087E+00
   9   -0.612220E-05    0.630319E+03  0.971286E-08 0.100000E-04    0.903565E+00
  10   -0.148952E-06    0.600995E+03  0.247842E-09 0.100000E-04    0.588740E+00
  11   -0.500707E-06    0.586514E+03  0.853700E-09 0.100000E-04    0.895915E+00
  12   -0.955507E-05    0.578802E+03  0.165084E-07 0.100000E-04    0.905721E+00
  13   -0.118143E-05    0.565460E+03  0.208932E-08 0.100000E-04    0.835278E+00
  14    0.508524E-05    0.487433E+03 -0.104327E-07 0.100000E-04    0.898247E+00
  15   -0.179488E-05    0.460812E+03  0.389503E-08 0.100000E-04    0.953122E+00
  16   -0.626878E-06    0.459906E+03  0.136306E-08 0.100000E-04    0.863997E+00
  17   -0.462985E-05    0.441747E+03  0.104808E-07 0.100000E-04    0.894164E+00
  18   -0.169821E-05    0.429113E+03  0.395748E-08 0.100000E-04    0.965217E+00
  19   -0.451693E-05    0.422007E+03  0.107034E-07 0.100000E-04    0.890165E+00
  20   -0.201587E-05    0.408184E+03  0.493863E-08 0.100000E-04    0.947416E+00
  21   -0.241639E-05    0.396429E+03  0.609540E-08 0.100000E-04    0.921241E+00
  22   -0.640862E-05    0.387669E+03  0.165312E-07 0.100000E-04    0.912392E+00
  23    0.675346E-05    0.369936E+03 -0.182558E-07 0.100000E-04    0.905330E+00
  24   -0.421639E-05    0.360527E+03  0.116951E-07 0.100000E-04    0.901800E+00
  25   -0.591223E-05    0.349413E+03  0.169204E-07 0.100000E-04    0.882802E+00
  26   -0.650088E-05    0.335236E+03  0.193920E-07 0.100000E-04    0.872743E+00
  27   -0.712837E-06    0.329144E+03  0.216573E-08 0.100000E-04    0.702834E+00
  28   -0.145233E-05    0.321893E+03  0.451185E-08 0.100000E-04    0.930661E+00
  29   -0.517410E-05    0.318991E+03  0.162202E-07 0.100000E-04    0.875286E+00
  30   -0.152911E-04    0.309627E+03  0.493858E-07 0.100000E-04    0.909917E+00
  31   -0.140489E-04    0.300907E+03  0.466885E-07 0.100000E-04    0.891635E+00
  32   -0.115371E-04    0.290518E+03  0.397122E-07 0.100000E-04    0.920462E+00
  33    0.137157E-05    0.278744E+03 -0.492052E-08 0.100000E-04    0.950851E+00
  34   -0.359650E-05    0.272630E+03  0.131919E-07 0.100000E-04    0.900033E+00
  35    0.121102E-04    0.268445E+03 -0.451126E-07 0.100000E-04    0.902160E+00
  36    0.158603E-04    0.264894E+03 -0.598741E-07 0.100000E-04    0.910216E+00
  37   -0.365425E-06    0.263643E+03  0.138606E-08 0.100000E-04    0.484607E+00
  38    0.216178E-05    0.253264E+03 -0.853568E-08 0.100000E-04    0.873457E+00
  39   -0.616228E-05    0.241495E+03  0.255172E-07 0.100000E-04    0.903527E+00
  40   -0.156861E-04    0.240700E+03  0.651686E-07 0.100000E-04    0.907464E+00
  41   -0.163749E-04    0.233879E+03  0.700143E-07 0.100000E-04    0.892722E+00
  42   -0.175633E-04    0.227474E+03  0.772102E-07 0.100000E-04    0.911032E+00
  43   -0.351738E-05    0.217023E+03  0.162074E-07 0.100000E-04    0.855281E+00
  44   -0.241454E-04    0.214884E+03  0.112365E-06 0.100000E-04    0.900790E+00
  45    0.822148E-05    0.213274E+03 -0.385490E-07 0.100000E-04    0.913016E+00
  46    0.152381E-04    0.207589E+03 -0.734052E-07 0.100000E-04    0.899218E+00
  47   -0.105208E-04    0.203057E+03  0.518123E-07 0.100000E-04    0.897235E+00
  48   -0.776117E-05    0.195578E+03  0.396833E-07 0.100000E-04    0.918514E+00
  49    0.142204E-04    0.194794E+03 -0.730020E-07 0.100000E-04    0.891899E+00
  50    0.123263E-04    0.191329E+03 -0.644244E-07 0.100000E-04    0.895228E+00
  51   -0.237544E-05    0.182880E+03  0.129891E-07 0.100000E-04    0.830171E+00
  52   -0.189312E-05    0.174233E+03  0.108654E-07 0.100000E-04    0.993954E+00
  53    0.390319E-05    0.172301E+03 -0.226533E-07 0.100000E-04    0.901756E+00
  54   -0.829228E-05    0.168170E+03  0.493090E-07 0.100000E-04    0.887902E+00
  55   -0.113257E-04    0.163309E+03  0.693512E-07 0.100000E-04    0.912321E+00
  56   -0.934116E-05    0.156924E+03  0.595266E-07 0.100000E-04    0.933963E+00
  57   -0.162404E-05    0.154851E+03  0.104877E-07 0.100000E-04    0.854409E+00
  58   -0.122992E-04    0.152269E+03  0.807726E-07 0.100000E-04    0.911489E+00
  59    0.472439E-05    0.146766E+03 -0.321899E-07 0.100000E-04    0.931308E+00
  60    0.441330E-05    0.143419E+03 -0.307720E-07 0.100000E-04    0.885969E+00
  61    0.170102E-05    0.138006E+03 -0.123257E-07 0.100000E-04    0.920488E+00
  62   -0.978330E-05    0.135874E+03  0.720029E-07 0.100000E-04    0.904165E+00
  63    0.158501E-04    0.130342E+03 -0.121604E-06 0.100000E-04    0.912326E+00
  64   -0.736477E-05    0.128798E+03  0.571807E-07 0.100000E-04    0.878190E+00
  65    0.637576E-05    0.126863E+03 -0.502572E-07 0.100000E-04    0.916145E+00
  66   -0.509183E-05    0.124250E+03  0.409805E-07 0.100000E-04    0.901549E+00
  67    0.179691E-04    0.119985E+03 -0.149761E-06 0.100000E-04    0.910585E+00
  68   -0.120074E-05    0.118165E+03  0.101615E-07 0.100000E-04    0.986215E+00
  69   -0.143192E-05    0.116922E+03  0.122468E-07 0.100000E-04    0.962509E+00
  70    0.190759E-04    0.110340E+03 -0.172883E-06 0.100000E-04    0.892591E+00
  71   -0.492664E-05    0.106889E+03  0.460914E-07 0.100000E-04    0.905652E+00
  72    0.213151E-04    0.104407E+03 -0.204155E-06 0.100000E-04    0.897487E+00
  73    0.252477E-05    0.102842E+03 -0.245500E-07 0.100000E-04    0.854000E+00
  74    0.359657E-05    0.995568E+02 -0.361258E-07 0.100000E-04    0.942282E+00
  75   -0.144233E-04    0.961098E+02  0.150071E-06 0.100000E-04    0.890196E+00
  76    0.433843E-05    0.941466E+02 -0.460816E-07 0.100000E-04    0.879916E+00
  77   -0.220558E-04    0.920581E+02  0.239586E-06 0.100000E-04    0.913337E+00
  78   -0.292789E-05    0.911745E+02  0.321130E-07 0.100000E-04    0.750859E+00
  79    0.413183E-05    0.884990E+02 -0.466879E-07 0.100000E-04    0.946104E+00
  80    0.797117E-05    0.855595E+02 -0.931653E-07 0.100000E-04    0.876556E+00
  81    0.158421E-04    0.808218E+02 -0.196013E-06 0.100000E-04    0.905687E+00
  82    0.141595E-04    0.804131E+02 -0.176084E-06 0.100000E-04    0.892602E+00
  83   -0.435988E-05    0.779792E+02  0.559108E-07 0.100000E-04    0.797917E+00
  84    0.476216E-05    0.733221E+02 -0.649485E-07 0.100000E-04    0.918570E+00
  85    0.167307E-04    0.726479E+02 -0.230299E-06 0.100000E-04    0.904488E+00
  86    0.484022E-06    0.679727E+02 -0.712083E-08 0.100000E-04    0.819487E+00
  87   -0.130664E-05    0.648306E+02  0.201546E-07 0.100000E-04    0.718874E+00
  88    0.113004E-04    0.614416E+02 -0.183922E-06 0.100000E-04    0.962795E+00
  89   -0.213461E-04    0.598754E+02  0.356508E-06 0.100000E-04    0.904377E+00
  90   -0.196597E-04    0.593978E+02  0.330985E-06 0.100000E-04    0.899419E+00
  91    0.906209E-05    0.581763E+02 -0.155770E-06 0.100000E-04    0.984943E+00
  92    0.390050E-04    0.558912E+02 -0.697873E-06 0.100000E-04    0.901291E+00
  93    0.309043E-04    0.524764E+02 -0.588919E-06 0.100000E-04    0.924156E+00
  94    0.139311E-04    0.520843E+02 -0.267473E-06 0.100000E-04    0.906665E+00
  95   -0.186388E-04    0.501530E+02  0.371639E-06 0.100000E-04    0.892596E+00
  96    0.595480E-05    0.462669E+02 -0.128705E-06 0.100000E-04    0.992971E+00
  97    0.218092E-04    0.432899E+02 -0.503796E-06 0.100000E-04    0.894358E+00
  98    0.816270E-05    0.408906E+02 -0.199623E-06 0.100000E-04    0.938805E+00
  99    0.188648E-05    0.378895E+02 -0.497890E-07 0.100000E-04    0.709394E+00
 100    0.626446E-05    0.362894E+02 -0.172625E-06 0.100000E-04    0.793240E+00
 101    0.840068E-04    0.323554E+02 -0.259638E-05 0.100000E-04    0.926574E+00
 102    0.198837E-04    0.288547E+02 -0.689095E-06 0.100000E-04    0.895150E+00
 103    0.256972E-04    0.284496E+02 -0.903256E-06 0.100000E-04    0.901005E+00
 104    0.280196E-04    0.262800E+02 -0.106620E-05 0.100000E-04    0.908521E+00
 105    0.210308E-04    0.233143E+02 -0.902055E-06 0.100000E-04    0.996857E+00
 106   -0.182046E-04    0.213107E+02  0.854248E-06 0.100000E-04    0.994028E+00
 107    0.821064E-03    0.198752E+02 -0.100000E-04 0.100000E-04    0.957364E+00
 108   -0.102681E-02    0.164942E+02  0.100000E-04 0.100000E-04    0.898158E+00
 109   -0.448182E-04    0.138958E+02  0.322531E-05 0.100000E-04    0.923164E+00
 110   -0.123484E-01    0.122373E+02  0.100000E-04 0.100000E-04    0.473197E+00
 111   -0.329680E-04    0.100917E+02  0.326683E-05 0.100000E-04    0.931509E+00
 112   -0.337060E-01    0.884825E+01  0.258487E-04 0.258487E-04    0.327464E+00
 113   -0.809839E-01    0.574569E+01  0.166793E-03 0.166793E-03    0.225704E+00
 114   -0.910861E+00    0.322006E+01 -0.126913E-03 0.126913E-03    0.399828E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1667929716E-03    0.2632653929    

 Beginning of optimization cycle  513.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3007781145
 potential> RMS force:                                               0.0857416690   |gradient|=.9154705089    
 Eigenvalues of the Hessian matrix:
   746.06609    674.29962    630.33870    600.98157    586.50700    578.81270 
   565.43382    487.43423    460.80222    459.89892    441.74334    429.12451 
   422.00446    408.17426    396.42488    387.66178    369.94098    360.52775 
   349.41116    335.24067    329.15308    321.89058    318.99635    309.61805 
   300.90221    290.52207    278.75505    272.63609    268.45079    264.89759 
   263.65463    253.26141    241.49703    240.70702    233.88497    227.47639 
   217.02628    214.88421    213.27240    207.59303    203.05281    195.57073 
   194.79704    191.33088    182.88308    174.23890    172.30147    168.17318 
   163.30373    156.92012    154.85517    152.26925    146.76017    143.41580 
   138.01054    135.87338    130.33962    128.80024    126.86430    124.24081 
   119.98599    118.16550    116.91788    110.34078    106.88581    104.40755 
   102.84095     99.55520     96.10932     94.14439     92.05215     91.17719 
    88.49425     85.56197     80.82196     80.41791     77.97717     73.32080 
    72.64378     67.96907     64.82597     61.43596     59.87311     59.39749 
    58.17290     55.88891     52.47499     52.08095     50.15620     46.26183 
    43.29351     40.89160     37.88829     36.28439     32.35039     28.85636 
    28.44963     26.28020     23.31484     21.31140     19.87308     16.49243 
    13.89617     12.23726     10.09167      8.85686      5.74480      3.21754 
overlap for current and previous eigenvector    109 is        -0.9999995488
overlap for current and previous eigenvector    110 is         0.9999999216
overlap for current and previous eigenvector    111 is        -0.9999991343
overlap for current and previous eigenvector    112 is        -0.9999980466
overlap for current and previous eigenvector    113 is         0.9999969261
overlap for current and previous eigenvector    114 is         0.9999980342
J1,K1,R1,R2,RAT=   7   7    0.1158472781         1.884049879        0.8840498790    
FOB,PFOB,DIAG,PSTEP=   -0.2767885312E-05   -0.3130572234E-05     746.0660893        0.4196321567E-08
J1,K1,R1,R2,RAT=   8   8    0.1013036075         1.898729434        0.8986963925    
FOB,PFOB,DIAG,PSTEP=   -0.4162394733E-05   -0.4631583054E-05     674.2996192        0.6868618055E-08
J1,K1,R1,R2,RAT=   9   9    0.1086644366         1.891272859        0.8912728589    
FOB,PFOB,DIAG,PSTEP=   -0.5456913026E-05   -0.6122199212E-05     630.3387000        0.9712859393E-08
J1,K1,R1,R2,RAT=  10  10    0.5749840580E-01     1.942545208        0.9425015942    
FOB,PFOB,DIAG,PSTEP=   -0.1403872525E-06   -0.1489515419E-06     600.9815673        0.2478417009E-09
J1,K1,R1,R2,RAT=  11  11    0.6676153256E-01     1.933262675        0.9332384674    
FOB,PFOB,DIAG,PSTEP=   -0.4672792741E-06   -0.5007068245E-06     586.5069957        0.8536995600E-09
J1,K1,R1,R2,RAT= 109 109     1.885442093        0.1145048846        0.8854420926    
FOB,PFOB,DIAG,PSTEP=    0.3968620461E-04   -0.4481824911E-04     13.89616652        0.3225309459E-05
J1,K1,R1,R2,RAT= 110 110     1.426878262         200.3901079        0.4268782617    
FOB,PFOB,DIAG,PSTEP=   -0.1217382547E-01   -0.1234843630E-01     12.23726163        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.915395826        0.8461728053E-01    0.9153827195    
FOB,PFOB,DIAG,PSTEP=    0.3017832327E-04   -0.3296796449E-04     10.09167435        0.3266826425E-05
J1,K1,R1,R2,RAT= 112 112     295.1203325       -0.6657834856        0.3342165144    
FOB,PFOB,DIAG,PSTEP=    0.3385838350E-01   -0.3370596016E-01     8.856856828        0.2584870597E-04
J1,K1,R1,R2,RAT= 113 113   -0.7859875713         169.8206439        0.2140124287    
FOB,PFOB,DIAG,PSTEP=   -0.8173699146E-01   -0.8098386412E-01     5.744801005        0.1667929716E-03
J1,K1,R1,R2,RAT= 114 114    0.5937064387        -4461.777843        0.4062935613    
FOB,PFOB,DIAG,PSTEP=   -0.9111031841       -0.9108607445         3.217544835       -0.1269133257E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00001     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00001      0.00001     -0.00000 
    -0.00001     -0.00001     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00001     -0.00002 
    -0.00000     -0.00002      0.00001      0.00001     -0.00001     -0.00001 
     0.00001      0.00001     -0.00000     -0.00000     -0.00000     -0.00001 
     0.00001     -0.00001      0.00000     -0.00001     -0.00000     -0.00000 
     0.00000      0.00001     -0.00001      0.00001      0.00001      0.00000 
    -0.00002     -0.00000     -0.00000      0.00002     -0.00000      0.00002 
     0.00000      0.00000     -0.00001      0.00000     -0.00002     -0.00000 
     0.00000      0.00001      0.00001      0.00001     -0.00000      0.00000 
    -0.00002      0.00000     -0.00000     -0.00001      0.00002      0.00002 
     0.00001      0.00004      0.00003     -0.00001      0.00002      0.00001 
     0.00002      0.00001     -0.00000     -0.00001     -0.00008      0.00002 
     0.00002     -0.00002      0.00002      0.00002      0.00080      0.00103 
     0.00004     -0.01217      0.00003      0.03386     -0.08174     -0.91110 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3851615835
 Log product of positive Hessian eigenvalues =          519.0729881070
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2175448354
 Unscaled step for mode    7=        0.0000000037
 Unscaled step for mode    8=        0.0000000062
 Unscaled step for mode    9=        0.0000000087
 Unscaled step for mode   10=        0.0000000002
 Unscaled step for mode   11=        0.0000000008
 Unscaled step for mode   12=        0.0000000148
 Unscaled step for mode   13=        0.0000000019
 Unscaled step for mode   14=       -0.0000000094
 Unscaled step for mode   15=        0.0000000035
 Unscaled step for mode   16=        0.0000000012
 Unscaled step for mode   17=        0.0000000093
 Unscaled step for mode   18=        0.0000000036
 Unscaled step for mode   19=        0.0000000095
 Unscaled step for mode   20=        0.0000000045
 Unscaled step for mode   21=        0.0000000054
 Unscaled step for mode   22=        0.0000000149
 Unscaled step for mode   23=       -0.0000000163
 Unscaled step for mode   24=        0.0000000104
 Unscaled step for mode   25=        0.0000000152
 Unscaled step for mode   26=        0.0000000171
 Unscaled step for mode   27=        0.0000000018
 Unscaled step for mode   28=        0.0000000040
 Unscaled step for mode   29=        0.0000000142
 Unscaled step for mode   30=        0.0000000449
 Unscaled step for mode   31=        0.0000000419
 Unscaled step for mode   32=        0.0000000359
 Unscaled step for mode   33=       -0.0000000043
 Unscaled step for mode   34=        0.0000000116
 Unscaled step for mode   35=       -0.0000000406
 Unscaled step for mode   36=       -0.0000000542
 Unscaled step for mode   37=        0.0000000014
 Unscaled step for mode   38=       -0.0000000075
 Unscaled step for mode   39=        0.0000000231
 Unscaled step for mode   40=        0.0000000586
 Unscaled step for mode   41=        0.0000000626
 Unscaled step for mode   42=        0.0000000698
 Unscaled step for mode   43=        0.0000000143
 Unscaled step for mode   44=        0.0000001009
 Unscaled step for mode   45=       -0.0000000349
 Unscaled step for mode   46=       -0.0000000658
 Unscaled step for mode   47=        0.0000000466
 Unscaled step for mode   48=        0.0000000357
 Unscaled step for mode   49=       -0.0000000657
 Unscaled step for mode   50=       -0.0000000585
 Unscaled step for mode   51=        0.0000000114
 Unscaled step for mode   52=        0.0000000100
 Unscaled step for mode   53=        0.0000000205
 Unscaled step for mode   54=        0.0000000443
 Unscaled step for mode   55=       -0.0000000630
 Unscaled step for mode   56=        0.0000000535
 Unscaled step for mode   57=       -0.0000000096
 Unscaled step for mode   58=        0.0000000733
 Unscaled step for mode   59=        0.0000000288
 Unscaled step for mode   60=        0.0000000281
 Unscaled step for mode   61=       -0.0000000118
 Unscaled step for mode   62=       -0.0000000645
 Unscaled step for mode   63=        0.0000001110
 Unscaled step for mode   64=       -0.0000000501
 Unscaled step for mode   65=       -0.0000000454
 Unscaled step for mode   66=       -0.0000000371
 Unscaled step for mode   67=        0.0000001355
 Unscaled step for mode   68=        0.0000000090
 Unscaled step for mode   69=        0.0000000118
 Unscaled step for mode   70=       -0.0000001559
 Unscaled step for mode   71=        0.0000000412
 Unscaled step for mode   72=       -0.0000001819
 Unscaled step for mode   73=       -0.0000000217
 Unscaled step for mode   74=       -0.0000000340
 Unscaled step for mode   75=        0.0000001339
 Unscaled step for mode   76=       -0.0000000421
 Unscaled step for mode   77=        0.0000002183
 Unscaled step for mode   78=        0.0000000295
 Unscaled step for mode   79=       -0.0000000421
 Unscaled step for mode   80=       -0.0000000833
 Unscaled step for mode   81=       -0.0000001774
 Unscaled step for mode   82=       -0.0000001581
 Unscaled step for mode   83=        0.0000000503
 Unscaled step for mode   84=       -0.0000000576
 Unscaled step for mode   85=        0.0000002094
 Unscaled step for mode   86=       -0.0000000077
 Unscaled step for mode   87=        0.0000000141
 Unscaled step for mode   88=        0.0000001673
 Unscaled step for mode   89=       -0.0000003218
 Unscaled step for mode   90=       -0.0000002954
 Unscaled step for mode   91=       -0.0000001483
 Unscaled step for mode   92=       -0.0000006324
 Unscaled step for mode   93=       -0.0000005357
 Unscaled step for mode   94=        0.0000002404
 Unscaled step for mode   95=       -0.0000003379
 Unscaled step for mode   96=       -0.0000001246
 Unscaled step for mode   97=       -0.0000004549
 Unscaled step for mode   98=       -0.0000001850
 Unscaled step for mode   99=        0.0000000355
 Unscaled step for mode  100=        0.0000001520
 Unscaled step for mode  101=        0.0000023859
 Unscaled step for mode  102=       -0.0000006140
 Unscaled step for mode  103=       -0.0000007998
 Unscaled step for mode  104=        0.0000009126
 Unscaled step for mode  105=       -0.0000008439
 Unscaled step for mode  106=       -0.0000007632
 Unscaled step for mode  107=       -0.0000400990
 Unscaled step for mode  108=       -0.0000623428
 Unscaled step for mode  109=       -0.0000028559
 Unscaled step for mode  110=        0.0009948152
 Unscaled step for mode  111=       -0.0000029904
 Unscaled step for mode  112=       -0.0038227883
 Unscaled step for mode  113=        0.0142251144
 Unscaled step for mode  114=       -0.2635054563
 Largest modulus ratio of non-zero e/values=           231.8743413    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.195048E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.261602E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.137227E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.148839E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.214648E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.242650E-14    0.974251E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.276789E-05    0.746066E+03  0.370997E-08 0.100000E-04    0.884050E+00
   8   -0.416239E-05    0.674300E+03  0.617292E-08 0.100000E-04    0.898696E+00
   9   -0.545691E-05    0.630339E+03  0.865711E-08 0.100000E-04    0.891273E+00
  10   -0.140387E-06    0.600982E+03  0.233597E-09 0.100000E-04    0.942502E+00
  11   -0.467279E-06    0.586507E+03  0.796716E-09 0.100000E-04    0.933238E+00
  12   -0.853842E-05    0.578813E+03  0.147516E-07 0.100000E-04    0.893566E+00
  13   -0.104869E-05    0.565434E+03  0.185467E-08 0.100000E-04    0.887643E+00
  14    0.456003E-05    0.487434E+03 -0.935516E-08 0.100000E-04    0.896712E+00
  15   -0.159130E-05    0.460802E+03  0.345332E-08 0.100000E-04    0.886575E+00
  16   -0.546580E-06    0.459899E+03  0.118848E-08 0.100000E-04    0.871905E+00
  17   -0.410027E-05    0.441743E+03  0.928201E-08 0.100000E-04    0.885615E+00
  18   -0.153049E-05    0.429125E+03  0.356654E-08 0.100000E-04    0.901190E+00
  19   -0.401782E-05    0.422004E+03  0.952079E-08 0.100000E-04    0.889502E+00
  20   -0.184254E-05    0.408174E+03  0.451410E-08 0.100000E-04    0.914016E+00
  21   -0.215744E-05    0.396425E+03  0.544225E-08 0.100000E-04    0.892835E+00
  22   -0.576401E-05    0.387662E+03  0.148687E-07 0.100000E-04    0.899413E+00
  23    0.604460E-05    0.369941E+03 -0.163394E-07 0.100000E-04    0.895011E+00
  24   -0.374287E-05    0.360528E+03  0.103816E-07 0.100000E-04    0.887689E+00
  25   -0.531705E-05    0.349411E+03  0.152172E-07 0.100000E-04    0.899330E+00
  26   -0.571642E-05    0.335241E+03  0.170517E-07 0.100000E-04    0.879301E+00
  27   -0.581575E-06    0.329153E+03  0.176688E-08 0.100000E-04    0.815809E+00
  28   -0.129775E-05    0.321891E+03  0.403165E-08 0.100000E-04    0.893562E+00
  29   -0.453964E-05    0.318996E+03  0.142310E-07 0.100000E-04    0.877347E+00
  30   -0.138958E-04    0.309618E+03  0.448804E-07 0.100000E-04    0.908745E+00
  31   -0.126136E-04    0.300902E+03  0.419193E-07 0.100000E-04    0.897832E+00
  32   -0.104399E-04    0.290522E+03  0.359351E-07 0.100000E-04    0.904873E+00
  33    0.120554E-05    0.278755E+03 -0.432475E-08 0.100000E-04    0.878882E+00
  34   -0.316203E-05    0.272636E+03  0.115980E-07 0.100000E-04    0.879153E+00
  35    0.108941E-04    0.268451E+03 -0.405814E-07 0.100000E-04    0.899536E+00
  36    0.143553E-04    0.264898E+03 -0.541920E-07 0.100000E-04    0.905086E+00
  37   -0.367359E-06    0.263655E+03  0.139333E-08 0.100000E-04    0.994710E+00
  38    0.188713E-05    0.253261E+03 -0.745129E-08 0.100000E-04    0.872947E+00
  39   -0.556919E-05    0.241497E+03  0.230611E-07 0.100000E-04    0.903739E+00
  40   -0.141147E-04    0.240707E+03  0.586384E-07 0.100000E-04    0.899767E+00
  41   -0.146333E-04    0.233885E+03  0.625662E-07 0.100000E-04    0.893595E+00
  42   -0.158759E-04    0.227476E+03  0.697912E-07 0.100000E-04    0.903899E+00
  43   -0.310084E-05    0.217026E+03  0.142879E-07 0.100000E-04    0.881546E+00
  44   -0.216922E-04    0.214884E+03  0.100948E-06 0.100000E-04    0.898399E+00
  45    0.743544E-05    0.213272E+03 -0.348636E-07 0.100000E-04    0.904390E+00
  46    0.136696E-04    0.207593E+03 -0.658479E-07 0.100000E-04    0.897026E+00
  47   -0.945338E-05    0.203053E+03  0.465563E-07 0.100000E-04    0.898538E+00
  48   -0.698998E-05    0.195571E+03  0.357414E-07 0.100000E-04    0.900631E+00
  49    0.128000E-04    0.194797E+03 -0.657094E-07 0.100000E-04    0.900090E+00
  50    0.111866E-04    0.191331E+03 -0.584672E-07 0.100000E-04    0.907524E+00
  51   -0.208469E-05    0.182883E+03  0.113990E-07 0.100000E-04    0.877567E+00
  52   -0.175054E-05    0.174239E+03  0.100468E-07 0.100000E-04    0.924626E+00
  53   -0.352600E-05    0.172301E+03  0.204641E-07 0.100000E-04    0.903358E+00
  54   -0.745767E-05    0.168173E+03  0.443452E-07 0.100000E-04    0.899310E+00
  55    0.102959E-04    0.163304E+03 -0.630477E-07 0.100000E-04    0.909077E+00
  56   -0.839550E-05    0.156920E+03  0.535017E-07 0.100000E-04    0.898762E+00
  57    0.148994E-05    0.154855E+03 -0.962151E-08 0.100000E-04    0.917381E+00
  58   -0.111639E-04    0.152269E+03  0.733169E-07 0.100000E-04    0.907694E+00
  59   -0.423252E-05    0.146760E+03  0.288397E-07 0.100000E-04    0.895884E+00
  60   -0.402647E-05    0.143416E+03  0.280755E-07 0.100000E-04    0.912348E+00
  61    0.162474E-05    0.138011E+03 -0.117726E-07 0.100000E-04    0.955087E+00
  62    0.876387E-05    0.135873E+03 -0.645003E-07 0.100000E-04    0.895799E+00
  63   -0.144633E-04    0.130340E+03  0.110966E-06 0.100000E-04    0.912504E+00
  64    0.644699E-05    0.128800E+03 -0.500542E-07 0.100000E-04    0.875353E+00
  65    0.575587E-05    0.126864E+03 -0.453703E-07 0.100000E-04    0.902751E+00
  66    0.461065E-05    0.124241E+03 -0.371106E-07 0.100000E-04    0.905494E+00
  67   -0.162624E-04    0.119986E+03  0.135536E-06 0.100000E-04    0.905009E+00
  68   -0.106595E-05    0.118165E+03  0.902081E-08 0.100000E-04    0.887739E+00
  69   -0.138450E-05    0.116918E+03  0.118417E-07 0.100000E-04    0.966885E+00
  70    0.172023E-04    0.110341E+03 -0.155902E-06 0.100000E-04    0.901769E+00
  71   -0.440154E-05    0.106886E+03  0.411798E-07 0.100000E-04    0.893412E+00
  72    0.189934E-04    0.104408E+03 -0.181916E-06 0.100000E-04    0.891063E+00
  73    0.223033E-05    0.102841E+03 -0.216872E-07 0.100000E-04    0.883381E+00
  74    0.338709E-05    0.995552E+02 -0.340222E-07 0.100000E-04    0.941754E+00
  75   -0.128663E-04    0.961093E+02  0.133872E-06 0.100000E-04    0.892051E+00
  76    0.396287E-05    0.941444E+02 -0.420936E-07 0.100000E-04    0.913434E+00
  77   -0.200915E-04    0.920522E+02  0.218262E-06 0.100000E-04    0.910935E+00
  78   -0.269043E-05    0.911772E+02  0.295077E-07 0.100000E-04    0.918840E+00
  79    0.372501E-05    0.884942E+02 -0.420933E-07 0.100000E-04    0.901535E+00
  80    0.713051E-05    0.855620E+02 -0.833374E-07 0.100000E-04    0.894483E+00
  81    0.143388E-04    0.808220E+02 -0.177412E-06 0.100000E-04    0.905102E+00
  82    0.127163E-04    0.804179E+02 -0.158128E-06 0.100000E-04    0.897966E+00
  83   -0.392166E-05    0.779772E+02  0.502924E-07 0.100000E-04    0.899485E+00
  84    0.422161E-05    0.733208E+02 -0.575773E-07 0.100000E-04    0.886489E+00
  85   -0.152084E-04    0.726438E+02  0.209356E-06 0.100000E-04    0.909004E+00
  86    0.520623E-06    0.679691E+02 -0.765970E-08 0.100000E-04    0.924378E+00
  87   -0.911307E-06    0.648260E+02  0.140577E-07 0.100000E-04    0.697424E+00
  88   -0.102803E-04    0.614360E+02  0.167334E-06 0.100000E-04    0.909721E+00
  89    0.192676E-04    0.598731E+02 -0.321807E-06 0.100000E-04    0.902624E+00
  90    0.175488E-04    0.593975E+02 -0.295447E-06 0.100000E-04    0.892626E+00
  91    0.862990E-05    0.581729E+02 -0.148349E-06 0.100000E-04    0.952305E+00
  92    0.353422E-04    0.558889E+02 -0.632366E-06 0.100000E-04    0.906091E+00
  93    0.281105E-04    0.524750E+02 -0.535693E-06 0.100000E-04    0.909595E+00
  94   -0.125201E-04    0.520810E+02  0.240396E-06 0.100000E-04    0.898706E+00
  95    0.169466E-04    0.501562E+02 -0.337876E-06 0.100000E-04    0.909087E+00
  96    0.576356E-05    0.462618E+02 -0.124586E-06 0.100000E-04    0.967881E+00
  97    0.196926E-04    0.432935E+02 -0.454863E-06 0.100000E-04    0.902788E+00
  98    0.756605E-05    0.408916E+02 -0.185027E-06 0.100000E-04    0.926860E+00
  99   -0.134338E-05    0.378883E+02  0.354564E-07 0.100000E-04    0.712101E+00
 100   -0.551382E-05    0.362844E+02  0.151961E-06 0.100000E-04    0.880158E+00
 101   -0.771841E-04    0.323504E+02  0.238588E-05 0.100000E-04    0.918771E+00
 102    0.177182E-04    0.288564E+02 -0.614012E-06 0.100000E-04    0.890986E+00
 103    0.227550E-04    0.284496E+02 -0.799835E-06 0.100000E-04    0.885501E+00
 104   -0.239829E-04    0.262802E+02  0.912584E-06 0.100000E-04    0.855917E+00
 105    0.196761E-04    0.233148E+02 -0.843929E-06 0.100000E-04    0.935541E+00
 106    0.162650E-04    0.213114E+02 -0.763206E-06 0.100000E-04    0.893391E+00
 107    0.796890E-03    0.198731E+02 -0.100000E-04 0.100000E-04    0.878354E+00
 108    0.102819E-02    0.164924E+02 -0.100000E-04 0.100000E-04    0.991688E+00
 109    0.396862E-04    0.138962E+02 -0.285591E-05 0.100000E-04    0.885442E+00
 110   -0.121738E-01    0.122373E+02  0.100000E-04 0.100000E-04    0.426878E+00
 111    0.301783E-04    0.100917E+02 -0.299042E-05 0.100000E-04    0.915383E+00
 112    0.338584E-01    0.885686E+01 -0.232871E-04 0.232871E-04    0.334217E+00
 113   -0.817370E-01    0.574480E+01  0.150264E-03 0.150264E-03    0.214012E+00
 114   -0.911103E+00    0.321754E+01 -0.114336E-03 0.114336E-03    0.406294E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1502639383E-03    0.2635054563    

 Beginning of optimization cycle  514.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3006870625
 potential> RMS force:                                               0.0857678408   |gradient|=.9157499474    
 Eigenvalues of the Hessian matrix:
   746.10075    674.28958    630.35637    600.96978    586.50055    578.82221 
   565.41044    487.43574    460.79329    459.89272    441.73977    429.13467 
   422.00249    408.16585    396.42134    387.65502    369.94537    360.52860 
   349.40911    335.24528    329.16129    321.88874    319.00130    309.61030 
   300.89752    290.52597    278.76490    272.64196    268.45627    264.90056 
   263.66460    253.25880    241.49889    240.71304    233.89000    227.47884 
   217.02956    214.88445    213.27114    207.59689    203.04942    195.56422 
   194.79962    191.33224    182.88606    174.24397    172.30192    168.17645 
   163.29917    156.91656    154.85853    152.26947    146.75473    143.41281 
   138.01474    135.87307    130.33737    128.80205    126.86568    124.23261 
   119.98678    118.16558    116.91428    110.34149    106.88336    104.40824 
   102.84036     99.55368     96.10889     94.14241     92.04678     91.17963 
    88.48999     85.56418     80.82212     80.42222     77.97532     73.31966 
    72.64001     67.96576     64.82182     61.43089     59.87097     59.39721 
    58.16987     55.88690     52.47376     52.07797     50.15909     46.25724 
    43.29674     40.89248     37.88718     36.27982     32.34586     28.85785 
    28.44966     26.28043     23.31529     21.31203     19.87113     16.49083 
    13.89650     12.23724     10.09162      8.86460      5.74398      3.21526 
overlap for current and previous eigenvector    109 is        -0.9999996336
overlap for current and previous eigenvector    110 is        -0.9999999366
overlap for current and previous eigenvector    111 is         0.9999992801
overlap for current and previous eigenvector    112 is        -0.9999984166
overlap for current and previous eigenvector    113 is        -0.9999975039
overlap for current and previous eigenvector    114 is        -0.9999983843
J1,K1,R1,R2,RAT=   7   7    0.1143813355         1.885525743        0.8855257431    
FOB,PFOB,DIAG,PSTEP=   -0.2451276184E-05   -0.2767885312E-05     746.1007536        0.3709973355E-08
J1,K1,R1,R2,RAT=   8   8    0.1012874843         1.898742291        0.8987125157    
FOB,PFOB,DIAG,PSTEP=   -0.3740802519E-05   -0.4162394733E-05     674.2895808        0.6172915741E-08
J1,K1,R1,R2,RAT=   9   9    0.1088298810         1.891114054        0.8911140540    
FOB,PFOB,DIAG,PSTEP=   -0.4863021182E-05   -0.5456913026E-05     630.3563704        0.8657112480E-08
J1,K1,R1,R2,RAT=  10  10    0.7713510037E-01     1.922904112        0.9228648996    
FOB,PFOB,DIAG,PSTEP=   -0.1295586800E-06   -0.1403872525E-06     600.9697846        0.2335966028E-09
J1,K1,R1,R2,RAT=  11  11    0.8069326095E-01     1.919328705        0.9193067391    
FOB,PFOB,DIAG,PSTEP=   -0.4295733998E-06   -0.4672792741E-06     586.5005542        0.7967156019E-09
J1,K1,R1,R2,RAT= 109 109     1.884332774        0.1156186953        0.8843327740    
FOB,PFOB,DIAG,PSTEP=   -0.3509762607E-04    0.3968620461E-04     13.89650373       -0.2855910264E-05
J1,K1,R1,R2,RAT= 110 110     197.5786763         1.384948351        0.3849483510    
FOB,PFOB,DIAG,PSTEP=    0.1200434606E-01   -0.1217382547E-01     12.23723733        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.7337875123E-01     1.926632159        0.9266212488    
FOB,PFOB,DIAG,PSTEP=    0.2796388767E-04    0.3017832327E-04     10.09161930       -0.2990417864E-05
J1,K1,R1,R2,RAT= 112 112     328.6930939       -0.6571197845        0.3428802155    
FOB,PFOB,DIAG,PSTEP=   -0.3399403334E-01    0.3385838350E-01     8.864595324       -0.2328712249E-04
J1,K1,R1,R2,RAT= 113 113     190.1989461       -0.7984912357        0.2015087643    
FOB,PFOB,DIAG,PSTEP=    0.8242617958E-01   -0.8173699146E-01     5.743979206        0.1502639383E-03
J1,K1,R1,R2,RAT= 114 114    -4957.342401        0.5874336432        0.4125663568    
FOB,PFOB,DIAG,PSTEP=    0.9113191369       -0.9111031841         3.215258268       -0.1143363294E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00001      0.00001     -0.00000 
    -0.00000     -0.00001     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00002      0.00001      0.00001     -0.00001     -0.00001 
     0.00001      0.00001     -0.00000     -0.00000      0.00000      0.00001 
     0.00001      0.00001      0.00000      0.00001      0.00000      0.00000 
     0.00000     -0.00001     -0.00001      0.00001     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00002     -0.00000     -0.00002 
     0.00000     -0.00000     -0.00001      0.00000     -0.00002      0.00000 
     0.00000     -0.00001      0.00001     -0.00001      0.00000     -0.00000 
    -0.00001     -0.00000      0.00000      0.00001      0.00002     -0.00002 
    -0.00001     -0.00003      0.00003     -0.00001     -0.00002      0.00001 
    -0.00002      0.00001     -0.00000     -0.00000      0.00007      0.00002 
    -0.00002     -0.00002     -0.00002     -0.00001      0.00076     -0.00102 
    -0.00004      0.01200      0.00003     -0.03399      0.08243      0.91132 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3850886260
 Log product of positive Hessian eigenvalues =          519.0722243731
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2152582683
 Unscaled step for mode    7=        0.0000000033
 Unscaled step for mode    8=        0.0000000055
 Unscaled step for mode    9=        0.0000000077
 Unscaled step for mode   10=        0.0000000002
 Unscaled step for mode   11=        0.0000000007
 Unscaled step for mode   12=        0.0000000132
 Unscaled step for mode   13=        0.0000000016
 Unscaled step for mode   14=       -0.0000000084
 Unscaled step for mode   15=        0.0000000031
 Unscaled step for mode   16=        0.0000000010
 Unscaled step for mode   17=        0.0000000082
 Unscaled step for mode   18=        0.0000000032
 Unscaled step for mode   19=        0.0000000085
 Unscaled step for mode   20=        0.0000000041
 Unscaled step for mode   21=        0.0000000049
 Unscaled step for mode   22=        0.0000000134
 Unscaled step for mode   23=       -0.0000000146
 Unscaled step for mode   24=        0.0000000092
 Unscaled step for mode   25=        0.0000000137
 Unscaled step for mode   26=        0.0000000150
 Unscaled step for mode   27=        0.0000000014
 Unscaled step for mode   28=        0.0000000036
 Unscaled step for mode   29=        0.0000000125
 Unscaled step for mode   30=        0.0000000408
 Unscaled step for mode   31=        0.0000000377
 Unscaled step for mode   32=        0.0000000325
 Unscaled step for mode   33=       -0.0000000038
 Unscaled step for mode   34=        0.0000000102
 Unscaled step for mode   35=       -0.0000000365
 Unscaled step for mode   36=       -0.0000000490
 Unscaled step for mode   37=        0.0000000013
 Unscaled step for mode   38=       -0.0000000065
 Unscaled step for mode   39=        0.0000000208
 Unscaled step for mode   40=        0.0000000528
 Unscaled step for mode   41=        0.0000000559
 Unscaled step for mode   42=        0.0000000631
 Unscaled step for mode   43=        0.0000000126
 Unscaled step for mode   44=        0.0000000907
 Unscaled step for mode   45=       -0.0000000316
 Unscaled step for mode   46=       -0.0000000591
 Unscaled step for mode   47=        0.0000000419
 Unscaled step for mode   48=        0.0000000321
 Unscaled step for mode   49=       -0.0000000591
 Unscaled step for mode   50=       -0.0000000531
 Unscaled step for mode   51=        0.0000000100
 Unscaled step for mode   52=        0.0000000092
 Unscaled step for mode   53=       -0.0000000186
 Unscaled step for mode   54=       -0.0000000399
 Unscaled step for mode   55=       -0.0000000574
 Unscaled step for mode   56=       -0.0000000481
 Unscaled step for mode   57=       -0.0000000088
 Unscaled step for mode   58=       -0.0000000667
 Unscaled step for mode   59=       -0.0000000258
 Unscaled step for mode   60=       -0.0000000257
 Unscaled step for mode   61=       -0.0000000111
 Unscaled step for mode   62=        0.0000000578
 Unscaled step for mode   63=        0.0000001013
 Unscaled step for mode   64=       -0.0000000438
 Unscaled step for mode   65=        0.0000000408
 Unscaled step for mode   66=        0.0000000335
 Unscaled step for mode   67=        0.0000001227
 Unscaled step for mode   68=        0.0000000079
 Unscaled step for mode   69=        0.0000000115
 Unscaled step for mode   70=        0.0000001406
 Unscaled step for mode   71=        0.0000000368
 Unscaled step for mode   72=        0.0000001620
 Unscaled step for mode   73=       -0.0000000191
 Unscaled step for mode   74=        0.0000000322
 Unscaled step for mode   75=        0.0000001194
 Unscaled step for mode   76=       -0.0000000384
 Unscaled step for mode   77=        0.0000001991
 Unscaled step for mode   78=       -0.0000000271
 Unscaled step for mode   79=       -0.0000000379
 Unscaled step for mode   80=        0.0000000746
 Unscaled step for mode   81=       -0.0000001605
 Unscaled step for mode   82=        0.0000001420
 Unscaled step for mode   83=       -0.0000000451
 Unscaled step for mode   84=        0.0000000510
 Unscaled step for mode   85=        0.0000001903
 Unscaled step for mode   86=        0.0000000081
 Unscaled step for mode   87=       -0.0000000090
 Unscaled step for mode   88=       -0.0000001527
 Unscaled step for mode   89=       -0.0000002904
 Unscaled step for mode   90=        0.0000002629
 Unscaled step for mode   91=        0.0000001414
 Unscaled step for mode   92=        0.0000005732
 Unscaled step for mode   93=       -0.0000004873
 Unscaled step for mode   94=        0.0000002166
 Unscaled step for mode   95=        0.0000003070
 Unscaled step for mode   96=       -0.0000001212
 Unscaled step for mode   97=        0.0000004106
 Unscaled step for mode   98=       -0.0000001717
 Unscaled step for mode   99=        0.0000000234
 Unscaled step for mode  100=        0.0000001332
 Unscaled step for mode  101=       -0.0000021934
 Unscaled step for mode  102=       -0.0000005472
 Unscaled step for mode  103=        0.0000007055
 Unscaled step for mode  104=        0.0000007774
 Unscaled step for mode  105=        0.0000007915
 Unscaled step for mode  106=        0.0000006874
 Unscaled step for mode  107=       -0.0000381684
 Unscaled step for mode  108=        0.0000615751
 Unscaled step for mode  109=        0.0000025256
 Unscaled step for mode  110=       -0.0009809677
 Unscaled step for mode  111=       -0.0000027710
 Unscaled step for mode  112=        0.0038347530
 Unscaled step for mode  113=       -0.0143470598
 Unscaled step for mode  114=        0.2637228642
 Largest modulus ratio of non-zero e/values=           232.0500225    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.283085E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.933390E-15    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.259382E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.389662E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.731876E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.175588E-14    0.974252E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.245128E-05    0.746101E+03  0.328545E-08 0.100000E-04    0.885526E+00
   8   -0.374080E-05    0.674290E+03  0.554777E-08 0.100000E-04    0.898713E+00
   9   -0.486302E-05    0.630356E+03  0.771472E-08 0.100000E-04    0.891114E+00
  10   -0.129559E-06    0.600970E+03  0.215583E-09 0.100000E-04    0.922865E+00
  11   -0.429573E-06    0.586501E+03  0.732435E-09 0.100000E-04    0.919307E+00
  12   -0.762919E-05    0.578822E+03  0.131805E-07 0.100000E-04    0.893481E+00
  13   -0.930983E-06    0.565410E+03  0.164656E-08 0.100000E-04    0.887753E+00
  14    0.409005E-05    0.487436E+03 -0.839095E-08 0.100000E-04    0.896929E+00
  15   -0.140853E-05    0.460793E+03  0.305674E-08 0.100000E-04    0.885140E+00
  16   -0.478287E-06    0.459893E+03  0.104000E-08 0.100000E-04    0.875054E+00
  17   -0.364085E-05    0.441740E+03  0.824207E-08 0.100000E-04    0.887954E+00
  18   -0.137338E-05    0.429135E+03  0.320036E-08 0.100000E-04    0.897304E+00
  19   -0.357791E-05    0.422002E+03  0.847842E-08 0.100000E-04    0.890511E+00
  20   -0.168690E-05    0.408166E+03  0.413287E-08 0.100000E-04    0.915525E+00
  21   -0.192356E-05    0.396421E+03  0.485230E-08 0.100000E-04    0.891589E+00
  22   -0.518354E-05    0.387655E+03  0.133715E-07 0.100000E-04    0.899293E+00
  23    0.540896E-05    0.369945E+03 -0.146210E-07 0.100000E-04    0.894820E+00
  24   -0.332653E-05    0.360529E+03  0.922682E-08 0.100000E-04    0.888761E+00
  25   -0.479035E-05    0.349409E+03  0.137099E-07 0.100000E-04    0.900941E+00
  26   -0.502357E-05    0.335245E+03  0.149847E-07 0.100000E-04    0.878770E+00
  27   -0.455633E-06    0.329161E+03  0.138422E-08 0.100000E-04    0.783402E+00
  28   -0.115999E-05    0.321889E+03  0.360371E-08 0.100000E-04    0.893849E+00
  29   -0.398070E-05    0.319001E+03  0.124786E-07 0.100000E-04    0.876845E+00
  30   -0.126366E-04    0.309610E+03  0.408146E-07 0.100000E-04    0.909383E+00
  31   -0.113317E-04    0.300898E+03  0.376596E-07 0.100000E-04    0.898368E+00
  32   -0.945314E-05    0.290526E+03  0.325380E-07 0.100000E-04    0.905452E+00
  33    0.106564E-05    0.278765E+03 -0.382273E-08 0.100000E-04    0.883885E+00
  34   -0.277884E-05    0.272642E+03  0.101923E-07 0.100000E-04    0.878776E+00
  35    0.979976E-05    0.268456E+03 -0.365041E-07 0.100000E-04    0.899508E+00
  36    0.129867E-04    0.264901E+03 -0.490247E-07 0.100000E-04    0.904638E+00
  37   -0.349186E-06    0.263665E+03  0.132436E-08 0.100000E-04    0.950458E+00
  38    0.164270E-05    0.253259E+03 -0.648625E-08 0.100000E-04    0.870476E+00
  39   -0.502527E-05    0.241499E+03  0.208087E-07 0.100000E-04    0.902319E+00
  40   -0.127109E-04    0.240713E+03  0.528050E-07 0.100000E-04    0.900494E+00
  41   -0.130747E-04    0.233890E+03  0.559012E-07 0.100000E-04    0.893452E+00
  42   -0.143581E-04    0.227479E+03  0.631183E-07 0.100000E-04    0.904377E+00
  43   -0.272922E-05    0.217030E+03  0.125753E-07 0.100000E-04    0.880125E+00
  44   -0.194928E-04    0.214884E+03  0.907128E-07 0.100000E-04    0.898605E+00
  45    0.673205E-05    0.213271E+03 -0.315657E-07 0.100000E-04    0.905401E+00
  46    0.122589E-04    0.207597E+03 -0.590513E-07 0.100000E-04    0.896766E+00
  47   -0.850091E-05    0.203049E+03  0.418662E-07 0.100000E-04    0.899244E+00
  48   -0.627868E-05    0.195564E+03  0.321054E-07 0.100000E-04    0.898237E+00
  49    0.115207E-04    0.194800E+03 -0.591412E-07 0.100000E-04    0.900029E+00
  50    0.101553E-04    0.191332E+03 -0.530766E-07 0.100000E-04    0.907794E+00
  51   -0.182731E-05    0.182886E+03  0.999150E-08 0.100000E-04    0.876507E+00
  52   -0.160959E-05    0.174244E+03  0.923755E-08 0.100000E-04    0.919425E+00
  53    0.320070E-05    0.172302E+03 -0.185761E-07 0.100000E-04    0.907737E+00
  54    0.670405E-05    0.168176E+03 -0.398632E-07 0.100000E-04    0.898911E+00
  55    0.937488E-05    0.163299E+03 -0.574092E-07 0.100000E-04    0.910540E+00
  56    0.754048E-05    0.156917E+03 -0.480541E-07 0.100000E-04    0.898156E+00
  57    0.136705E-05    0.154859E+03 -0.882776E-08 0.100000E-04    0.917481E+00
  58    0.101515E-04    0.152269E+03 -0.666677E-07 0.100000E-04    0.909307E+00
  59    0.378992E-05    0.146755E+03 -0.258249E-07 0.100000E-04    0.895425E+00
  60    0.368641E-05    0.143413E+03 -0.257049E-07 0.100000E-04    0.915540E+00
  61    0.153866E-05    0.138015E+03 -0.111485E-07 0.100000E-04    0.946959E+00
  62   -0.785097E-05    0.135873E+03  0.577817E-07 0.100000E-04    0.895833E+00
  63   -0.132007E-04    0.130337E+03  0.101281E-06 0.100000E-04    0.912706E+00
  64    0.564245E-05    0.128802E+03 -0.438072E-07 0.100000E-04    0.875181E+00
  65   -0.517985E-05    0.126866E+03  0.408294E-07 0.100000E-04    0.899903E+00
  66   -0.416540E-05    0.124233E+03  0.335290E-07 0.100000E-04    0.903423E+00
  67   -0.147192E-04    0.119987E+03  0.122674E-06 0.100000E-04    0.905094E+00
  68   -0.938672E-06    0.118166E+03  0.794370E-08 0.100000E-04    0.880597E+00
  69   -0.134211E-05    0.116914E+03  0.114794E-07 0.100000E-04    0.969378E+00
  70   -0.155189E-04    0.110341E+03  0.140645E-06 0.100000E-04    0.902130E+00
  71   -0.393305E-05    0.106883E+03  0.367976E-07 0.100000E-04    0.893561E+00
  72   -0.169152E-04    0.104408E+03  0.162010E-06 0.100000E-04    0.890570E+00
  73    0.196523E-05    0.102840E+03 -0.191095E-07 0.100000E-04    0.881137E+00
  74   -0.320257E-05    0.995537E+02  0.321693E-07 0.100000E-04    0.945521E+00
  75   -0.114773E-04    0.961089E+02  0.119420E-06 0.100000E-04    0.892045E+00
  76    0.361913E-05    0.941424E+02 -0.384431E-07 0.100000E-04    0.913257E+00
  77   -0.183228E-04    0.920468E+02  0.199059E-06 0.100000E-04    0.911960E+00
  78    0.246750E-05    0.911796E+02 -0.270619E-07 0.100000E-04    0.917089E+00
  79    0.335216E-05    0.884900E+02 -0.378817E-07 0.100000E-04    0.899899E+00
  80   -0.638477E-05    0.855642E+02  0.746197E-07 0.100000E-04    0.895366E+00
  81    0.129727E-04    0.808221E+02 -0.160509E-06 0.100000E-04    0.904726E+00
  82   -0.114216E-04    0.804222E+02  0.142020E-06 0.100000E-04    0.898083E+00
  83    0.351886E-05    0.779753E+02 -0.451279E-07 0.100000E-04    0.897287E+00
  84   -0.373992E-05    0.733197E+02  0.510084E-07 0.100000E-04    0.885896E+00
  85   -0.138220E-04    0.726400E+02  0.190281E-06 0.100000E-04    0.908836E+00
  86   -0.551174E-06    0.679658E+02  0.810958E-08 0.100000E-04    0.941315E+00
  87    0.585187E-06    0.648218E+02 -0.902763E-08 0.100000E-04    0.642118E+00
  88    0.938053E-05    0.614309E+02 -0.152700E-06 0.100000E-04    0.912465E+00
  89    0.173892E-04    0.598710E+02 -0.290444E-06 0.100000E-04    0.902506E+00
  90   -0.156177E-04    0.593972E+02  0.262937E-06 0.100000E-04    0.889958E+00
  91   -0.822286E-05    0.581699E+02  0.141359E-06 0.100000E-04    0.952831E+00
  92   -0.320329E-04    0.558869E+02  0.573173E-06 0.100000E-04    0.906359E+00
  93    0.255712E-04    0.524738E+02 -0.487315E-06 0.100000E-04    0.909666E+00
  94   -0.112788E-04    0.520780E+02  0.216574E-06 0.100000E-04    0.900848E+00
  95   -0.153967E-04    0.501591E+02  0.306958E-06 0.100000E-04    0.908435E+00
  96    0.560610E-05    0.462572E+02 -0.121194E-06 0.100000E-04    0.972679E+00
  97   -0.177787E-04    0.432967E+02  0.410624E-06 0.100000E-04    0.902667E+00
  98    0.702052E-05    0.408925E+02 -0.171683E-06 0.100000E-04    0.927857E+00
  99   -0.885306E-06    0.378872E+02  0.233669E-07 0.100000E-04    0.659003E+00
 100   -0.483405E-05    0.362798E+02  0.133244E-06 0.100000E-04    0.876700E+00
 101    0.709463E-04    0.323459E+02 -0.219337E-05 0.100000E-04    0.919171E+00
 102    0.157916E-04    0.288578E+02 -0.547219E-06 0.100000E-04    0.891168E+00
 103   -0.200701E-04    0.284497E+02  0.705461E-06 0.100000E-04    0.882007E+00
 104   -0.204292E-04    0.262804E+02  0.777356E-06 0.100000E-04    0.851810E+00
 105   -0.184532E-04    0.233153E+02  0.791464E-06 0.100000E-04    0.937813E+00
 106   -0.146495E-04    0.213120E+02  0.687384E-06 0.100000E-04    0.900623E+00
 107    0.758450E-03    0.198711E+02 -0.100000E-04 0.100000E-04    0.806556E+00
 108   -0.101542E-02    0.164908E+02  0.100000E-04 0.100000E-04    0.922619E+00
 109   -0.350976E-04    0.138965E+02  0.252564E-05 0.100000E-04    0.884333E+00
 110    0.120043E-01    0.122372E+02 -0.100000E-04 0.100000E-04    0.384948E+00
 111    0.279639E-04    0.100916E+02 -0.277100E-05 0.100000E-04    0.926621E+00
 112   -0.339940E-01    0.886460E+01  0.209794E-04 0.209794E-04    0.342880E+00
 113    0.824262E-01    0.574398E+01 -0.135373E-03 0.135373E-03    0.201509E+00
 114    0.911319E+00    0.321526E+01  0.103006E-03 0.103006E-03    0.412566E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1353729174E-03    0.2637228642    

 Beginning of optimization cycle  515.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3006051269
 potential> RMS force:                                               0.0857913251   |gradient|=.9160006919    
 Eigenvalues of the Hessian matrix:
   746.13209    674.28054    630.37216    600.95919    586.49470    578.83064 
   565.38938    487.43714    460.78537    459.88705    441.73653    429.14392 
   422.00070    408.15829    396.41817    387.64899    369.94929    360.52937 
   349.40725    335.24942    329.16864    321.88705    319.00584    309.60317 
   300.89328    290.52953    278.77383    272.64730    268.46121    264.90325 
   263.67345    253.25646    241.50065    240.71837    233.89452    227.48106 
   217.03261    214.88462    213.26998    207.60036    203.04639    195.55831 
   194.80191    191.33346    182.88875    174.24859    172.30233    168.17941 
   163.29504    156.91334    154.86157    152.26967    146.74985    143.41011 
   138.01853    135.87278    130.33536    128.80369    126.86693    124.22521 
   119.98750    118.16567    116.91104    110.34212    106.88116    104.40890 
   102.83987     99.55225     96.10847     94.14060     92.04191     91.18184 
    88.48616     85.56617     80.82226     80.42609     77.97366     73.31864 
    72.63659     67.96274     64.81806     61.42629     59.86900     59.39693 
    58.16717     55.88513     52.47266     52.07530     50.16171     46.25309 
    43.29960     40.89330     37.88617     36.27568     32.34177     28.85923 
    28.44966     26.28066     23.31569     21.31258     19.86935     16.48938 
    13.89681     12.23722     10.09157      8.87155      5.74322      3.21318 
overlap for current and previous eigenvector    109 is        -0.9999997027
overlap for current and previous eigenvector    110 is        -0.9999999486
overlap for current and previous eigenvector    111 is         0.9999994030
overlap for current and previous eigenvector    112 is        -0.9999987176
overlap for current and previous eigenvector    113 is        -0.9999979708
overlap for current and previous eigenvector    114 is        -0.9999986703
J1,K1,R1,R2,RAT=   7   7    0.1135636882         1.886352305        0.8863523047    
FOB,PFOB,DIAG,PSTEP=   -0.2172888526E-05   -0.2451276184E-05     746.1320938        0.3285449280E-08
J1,K1,R1,R2,RAT=   8   8    0.1012567169         1.898770102        0.8987432831    
FOB,PFOB,DIAG,PSTEP=   -0.3362026216E-05   -0.3740802519E-05     674.2805390        0.5547768533E-08
J1,K1,R1,R2,RAT=   9   9    0.1086220967         1.891327800        0.8913277997    
FOB,PFOB,DIAG,PSTEP=   -0.4334776392E-05   -0.4863021182E-05     630.3721624        0.7714717278E-08
J1,K1,R1,R2,RAT=  10  10    0.9973420477E-01     1.900301060        0.9002657952    
FOB,PFOB,DIAG,PSTEP=   -0.1166374759E-06   -0.1295586800E-06     600.9591883        0.2155826854E-09
J1,K1,R1,R2,RAT=  11  11    0.8518177141E-01     1.914838199        0.9148182286    
FOB,PFOB,DIAG,PSTEP=   -0.3929819421E-06   -0.4295733998E-06     586.4946978        0.7324347722E-09
J1,K1,R1,R2,RAT= 109 109     1.882843210        0.1171122402        0.8828432096    
FOB,PFOB,DIAG,PSTEP=    0.3098717290E-04   -0.3509762607E-04     13.89681328        0.2525644346E-05
J1,K1,R1,R2,RAT= 110 110     194.8473086         1.346660023        0.3466600233    
FOB,PFOB,DIAG,PSTEP=   -0.1183955228E-01    0.1200434606E-01     12.23722232       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.6664736114E-01     1.933361616        0.9333526389    
FOB,PFOB,DIAG,PSTEP=    0.2610017672E-04    0.2796388767E-04     10.09157401       -0.2771001049E-05
J1,K1,R1,R2,RAT= 112 112     365.9405215       -0.6485505168        0.3514494832    
FOB,PFOB,DIAG,PSTEP=    0.3411474143E-01   -0.3399403334E-01     8.871554322        0.2097938963E-04
J1,K1,R1,R2,RAT= 113 113     212.8474579       -0.8121685816        0.1878314184    
FOB,PFOB,DIAG,PSTEP=   -0.8305762120E-01    0.8242617958E-01     5.743217066       -0.1353729174E-03
J1,K1,R1,R2,RAT= 114 114    -5507.444708        0.5812005272        0.4187994728    
FOB,PFOB,DIAG,PSTEP=   -0.9115115002        0.9113191369         3.213178901        0.1030057022E-03
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00002      0.00001      0.00001     -0.00001     -0.00001 
     0.00001      0.00001     -0.00000     -0.00000     -0.00000     -0.00001 
     0.00001     -0.00001      0.00000     -0.00001     -0.00000     -0.00000 
     0.00000      0.00001     -0.00001      0.00000      0.00000      0.00000 
    -0.00001     -0.00000     -0.00000      0.00001     -0.00000     -0.00002 
    -0.00000      0.00000     -0.00001      0.00000      0.00002      0.00000 
     0.00000      0.00001      0.00001      0.00001     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000     -0.00001     -0.00002     -0.00001 
     0.00001      0.00003      0.00002     -0.00001      0.00001      0.00001 
     0.00002      0.00001     -0.00000     -0.00000     -0.00007      0.00001 
     0.00002     -0.00002      0.00002      0.00001      0.00071      0.00099 
     0.00003     -0.01184      0.00003      0.03411     -0.08306     -0.91151 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3850200094
 Log product of positive Hessian eigenvalues =          519.0715214014
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2131789005
 Unscaled step for mode    7=        0.0000000029
 Unscaled step for mode    8=        0.0000000050
 Unscaled step for mode    9=        0.0000000069
 Unscaled step for mode   10=        0.0000000002
 Unscaled step for mode   11=        0.0000000007
 Unscaled step for mode   12=        0.0000000118
 Unscaled step for mode   13=        0.0000000015
 Unscaled step for mode   14=       -0.0000000075
 Unscaled step for mode   15=        0.0000000027
 Unscaled step for mode   16=        0.0000000009
 Unscaled step for mode   17=        0.0000000073
 Unscaled step for mode   18=        0.0000000029
 Unscaled step for mode   19=        0.0000000076
 Unscaled step for mode   20=        0.0000000038
 Unscaled step for mode   21=        0.0000000043
 Unscaled step for mode   22=        0.0000000120
 Unscaled step for mode   23=       -0.0000000131
 Unscaled step for mode   24=        0.0000000082
 Unscaled step for mode   25=        0.0000000124
 Unscaled step for mode   26=        0.0000000132
 Unscaled step for mode   27=        0.0000000010
 Unscaled step for mode   28=        0.0000000032
 Unscaled step for mode   29=        0.0000000109
 Unscaled step for mode   30=        0.0000000372
 Unscaled step for mode   31=        0.0000000339
 Unscaled step for mode   32=        0.0000000295
 Unscaled step for mode   33=       -0.0000000034
 Unscaled step for mode   34=        0.0000000089
 Unscaled step for mode   35=       -0.0000000328
 Unscaled step for mode   36=       -0.0000000444
 Unscaled step for mode   37=        0.0000000012
 Unscaled step for mode   38=       -0.0000000056
 Unscaled step for mode   39=        0.0000000188
 Unscaled step for mode   40=        0.0000000476
 Unscaled step for mode   41=        0.0000000500
 Unscaled step for mode   42=        0.0000000571
 Unscaled step for mode   43=        0.0000000111
 Unscaled step for mode   44=        0.0000000815
 Unscaled step for mode   45=       -0.0000000286
 Unscaled step for mode   46=       -0.0000000530
 Unscaled step for mode   47=        0.0000000377
 Unscaled step for mode   48=        0.0000000288
 Unscaled step for mode   49=       -0.0000000532
 Unscaled step for mode   50=       -0.0000000482
 Unscaled step for mode   51=        0.0000000088
 Unscaled step for mode   52=        0.0000000085
 Unscaled step for mode   53=        0.0000000169
 Unscaled step for mode   54=        0.0000000358
 Unscaled step for mode   55=       -0.0000000523
 Unscaled step for mode   56=        0.0000000432
 Unscaled step for mode   57=       -0.0000000081
 Unscaled step for mode   58=        0.0000000607
 Unscaled step for mode   59=        0.0000000231
 Unscaled step for mode   60=        0.0000000236
 Unscaled step for mode   61=       -0.0000000105
 Unscaled step for mode   62=       -0.0000000518
 Unscaled step for mode   63=        0.0000000925
 Unscaled step for mode   64=       -0.0000000383
 Unscaled step for mode   65=       -0.0000000367
 Unscaled step for mode   66=       -0.0000000303
 Unscaled step for mode   67=        0.0000001111
 Unscaled step for mode   68=        0.0000000070
 Unscaled step for mode   69=        0.0000000112
 Unscaled step for mode   70=       -0.0000001269
 Unscaled step for mode   71=        0.0000000329
 Unscaled step for mode   72=        0.0000001443
 Unscaled step for mode   73=        0.0000000169
 Unscaled step for mode   74=       -0.0000000305
 Unscaled step for mode   75=        0.0000001066
 Unscaled step for mode   76=       -0.0000000351
 Unscaled step for mode   77=       -0.0000001818
 Unscaled step for mode   78=       -0.0000000248
 Unscaled step for mode   79=       -0.0000000341
 Unscaled step for mode   80=       -0.0000000668
 Unscaled step for mode   81=       -0.0000001453
 Unscaled step for mode   82=       -0.0000001276
 Unscaled step for mode   83=        0.0000000404
 Unscaled step for mode   84=       -0.0000000453
 Unscaled step for mode   85=        0.0000001730
 Unscaled step for mode   86=        0.0000000086
 Unscaled step for mode   87=       -0.0000000046
 Unscaled step for mode   88=        0.0000001399
 Unscaled step for mode   89=        0.0000002622
 Unscaled step for mode   90=        0.0000002336
 Unscaled step for mode   91=       -0.0000001349
 Unscaled step for mode   92=       -0.0000005197
 Unscaled step for mode   93=       -0.0000004436
 Unscaled step for mode   94=        0.0000001952
 Unscaled step for mode   95=       -0.0000002789
 Unscaled step for mode   96=       -0.0000001180
 Unscaled step for mode   97=       -0.0000003706
 Unscaled step for mode   98=       -0.0000001600
 Unscaled step for mode   99=        0.0000000132
 Unscaled step for mode  100=        0.0000001168
 Unscaled step for mode  101=        0.0000020184
 Unscaled step for mode  102=       -0.0000004878
 Unscaled step for mode  103=       -0.0000006210
 Unscaled step for mode  104=        0.0000006578
 Unscaled step for mode  105=       -0.0000007429
 Unscaled step for mode  106=       -0.0000006216
 Unscaled step for mode  107=       -0.0000355854
 Unscaled step for mode  108=       -0.0000600272
 Unscaled step for mode  109=       -0.0000022298
 Unscaled step for mode  110=        0.0009675023
 Unscaled step for mode  111=       -0.0000025863
 Unscaled step for mode  112=       -0.0038453506
 Unscaled step for mode  113=        0.0144588401
 Unscaled step for mode  114=       -0.2639197606
 Largest modulus ratio of non-zero e/values=           232.2099444    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.553919E-15    0.101911E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.152401E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.188411E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.864783E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.687167E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.184459E-14    0.974254E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.217289E-05    0.746132E+03  0.291220E-08 0.100000E-04    0.886352E+00
   8   -0.336203E-05    0.674281E+03  0.498609E-08 0.100000E-04    0.898743E+00
   9   -0.433478E-05    0.630372E+03  0.687654E-08 0.100000E-04    0.891328E+00
  10   -0.116637E-06    0.600959E+03  0.194086E-09 0.100000E-04    0.900266E+00
  11   -0.392982E-06    0.586495E+03  0.670052E-09 0.100000E-04    0.914818E+00
  12   -0.681784E-05    0.578831E+03  0.117786E-07 0.100000E-04    0.893625E+00
  13   -0.828263E-06    0.565389E+03  0.146494E-08 0.100000E-04    0.889661E+00
  14    0.367196E-05    0.487437E+03 -0.753320E-08 0.100000E-04    0.897775E+00
  15   -0.124666E-05    0.460785E+03  0.270551E-08 0.100000E-04    0.885079E+00
  16   -0.421571E-06    0.459887E+03  0.916683E-09 0.100000E-04    0.881415E+00
  17   -0.323636E-05    0.441737E+03  0.732644E-08 0.100000E-04    0.888900E+00
  18   -0.123002E-05    0.429144E+03  0.286621E-08 0.100000E-04    0.895568E+00
  19   -0.318761E-05    0.422001E+03  0.755357E-08 0.100000E-04    0.890913E+00
  20   -0.154423E-05    0.408158E+03  0.378341E-08 0.100000E-04    0.915426E+00
  21   -0.171177E-05    0.396418E+03  0.431808E-08 0.100000E-04    0.889896E+00
  22   -0.466303E-05    0.387649E+03  0.120290E-07 0.100000E-04    0.899583E+00
  23    0.483842E-05    0.369949E+03 -0.130786E-07 0.100000E-04    0.894499E+00
  24   -0.295321E-05    0.360529E+03  0.819131E-08 0.100000E-04    0.887770E+00
  25   -0.432206E-05    0.349407E+03  0.123697E-07 0.100000E-04    0.902243E+00
  26   -0.440988E-05    0.335249E+03  0.131540E-07 0.100000E-04    0.877816E+00
  27   -0.342719E-06    0.329169E+03  0.104116E-08 0.100000E-04    0.752143E+00
  28   -0.103924E-05    0.321887E+03  0.322859E-08 0.100000E-04    0.895902E+00
  29   -0.348494E-05    0.319006E+03  0.109244E-07 0.100000E-04    0.875434E+00
  30   -0.115080E-04    0.309603E+03  0.371702E-07 0.100000E-04    0.910685E+00
  31   -0.101866E-04    0.300893E+03  0.338544E-07 0.100000E-04    0.898944E+00
  32   -0.857080E-05    0.290530E+03  0.295006E-07 0.100000E-04    0.906639E+00
  33    0.941354E-06    0.278774E+03 -0.337677E-08 0.100000E-04    0.883306E+00
  34   -0.243872E-05    0.272647E+03  0.894461E-08 0.100000E-04    0.877568E+00
  35    0.881784E-05    0.268461E+03 -0.328459E-07 0.100000E-04    0.899767E+00
  36    0.117586E-04    0.264903E+03 -0.443882E-07 0.100000E-04    0.905415E+00
  37   -0.326259E-06    0.263673E+03  0.123736E-08 0.100000E-04    0.934276E+00
  38    0.142246E-05    0.253256E+03 -0.561667E-08 0.100000E-04    0.865925E+00
  39   -0.452928E-05    0.241501E+03  0.187547E-07 0.100000E-04    0.901288E+00
  40   -0.114549E-04    0.240718E+03  0.475863E-07 0.100000E-04    0.901148E+00
  41   -0.116843E-04    0.233895E+03  0.499554E-07 0.100000E-04    0.893617E+00
  42   -0.129971E-04    0.227481E+03  0.571348E-07 0.100000E-04    0.905192E+00
  43   -0.240528E-05    0.217033E+03  0.110826E-07 0.100000E-04    0.881281E+00
  44   -0.175226E-04    0.214885E+03  0.815441E-07 0.100000E-04    0.898925E+00
  45    0.609784E-05    0.213270E+03 -0.285921E-07 0.100000E-04    0.905792E+00
  46    0.109940E-04    0.207600E+03 -0.529576E-07 0.100000E-04    0.896789E+00
  47   -0.765112E-05    0.203046E+03  0.376816E-07 0.100000E-04    0.900034E+00
  48   -0.563708E-05    0.195558E+03  0.288255E-07 0.100000E-04    0.897810E+00
  49    0.103698E-04    0.194802E+03 -0.532327E-07 0.100000E-04    0.900082E+00
  50    0.922190E-05    0.191333E+03 -0.481981E-07 0.100000E-04    0.908079E+00
  51   -0.160102E-05    0.182889E+03  0.875405E-08 0.100000E-04    0.876136E+00
  52   -0.148201E-05    0.174249E+03  0.850514E-08 0.100000E-04    0.920687E+00
  53   -0.291171E-05    0.172302E+03  0.168989E-07 0.100000E-04    0.909707E+00
  54   -0.602834E-05    0.168179E+03  0.358447E-07 0.100000E-04    0.899175E+00
  55    0.854707E-05    0.163295E+03 -0.523413E-07 0.100000E-04    0.911697E+00
  56   -0.677628E-05    0.156913E+03  0.431848E-07 0.100000E-04    0.898651E+00
  57    0.125964E-05    0.154862E+03 -0.813398E-08 0.100000E-04    0.921390E+00
  58   -0.924088E-05    0.152270E+03  0.606876E-07 0.100000E-04    0.910299E+00
  59   -0.339349E-05    0.146750E+03  0.231243E-07 0.100000E-04    0.895395E+00
  60   -0.338242E-05    0.143410E+03  0.235856E-07 0.100000E-04    0.917537E+00
  61    0.145161E-05    0.138019E+03 -0.105175E-07 0.100000E-04    0.943372E+00
  62    0.703229E-05    0.135873E+03 -0.517564E-07 0.100000E-04    0.895722E+00
  63   -0.120568E-04    0.130335E+03  0.925060E-07 0.100000E-04    0.913341E+00
  64    0.493312E-05    0.128804E+03 -0.382995E-07 0.100000E-04    0.874262E+00
  65    0.465595E-05    0.126867E+03 -0.366995E-07 0.100000E-04    0.898840E+00
  66    0.376279E-05    0.124225E+03 -0.302901E-07 0.100000E-04    0.903339E+00
  67   -0.133316E-04    0.119988E+03  0.111108E-06 0.100000E-04    0.905716E+00
  68   -0.822027E-06    0.118166E+03  0.695656E-08 0.100000E-04    0.875733E+00
  69   -0.130638E-05    0.116911E+03  0.111742E-07 0.100000E-04    0.973379E+00
  70    0.140024E-04    0.110342E+03 -0.126900E-06 0.100000E-04    0.902267E+00
  71   -0.351698E-05    0.106881E+03  0.329055E-07 0.100000E-04    0.894208E+00
  72   -0.150611E-04    0.104409E+03  0.144251E-06 0.100000E-04    0.890374E+00
  73   -0.173665E-05    0.102840E+03  0.168869E-07 0.100000E-04    0.883685E+00
  74    0.303984E-05    0.995523E+02 -0.305351E-07 0.100000E-04    0.949188E+00
  75   -0.102451E-04    0.961085E+02  0.106599E-06 0.100000E-04    0.892637E+00
  76    0.330562E-05    0.941406E+02 -0.351137E-07 0.100000E-04    0.913374E+00
  77    0.167372E-04    0.920419E+02 -0.181843E-06 0.100000E-04    0.913457E+00
  78    0.226294E-05    0.911818E+02 -0.248179E-07 0.100000E-04    0.917054E+00
  79    0.301584E-05    0.884862E+02 -0.340826E-07 0.100000E-04    0.899668E+00
  80    0.571436E-05    0.855662E+02 -0.667830E-07 0.100000E-04    0.894954E+00
  81    0.117408E-04    0.808223E+02 -0.145267E-06 0.100000E-04    0.905037E+00
  82    0.102645E-04    0.804261E+02 -0.127627E-06 0.100000E-04    0.898601E+00
  83   -0.315187E-05    0.779737E+02  0.404223E-07 0.100000E-04    0.895705E+00
  84    0.331909E-05    0.733186E+02 -0.452694E-07 0.100000E-04    0.887476E+00
  85   -0.125659E-04    0.726366E+02  0.172997E-06 0.100000E-04    0.909122E+00
  86   -0.581782E-06    0.679627E+02  0.856031E-08 0.100000E-04    0.944464E+00
  87    0.301233E-06    0.648181E+02 -0.464736E-08 0.100000E-04    0.514736E+00
  88   -0.859077E-05    0.614263E+02  0.139855E-06 0.100000E-04    0.915803E+00
  89   -0.156971E-04    0.598690E+02  0.262192E-06 0.100000E-04    0.902693E+00
  90   -0.138760E-04    0.593969E+02  0.233615E-06 0.100000E-04    0.888480E+00
  91    0.784874E-05    0.581672E+02 -0.134934E-06 0.100000E-04    0.954500E+00
  92    0.290447E-04    0.558851E+02 -0.519722E-06 0.100000E-04    0.906714E+00
  93    0.232790E-04    0.524727E+02 -0.443640E-06 0.100000E-04    0.910356E+00
  94   -0.101676E-04    0.520753E+02  0.195249E-06 0.100000E-04    0.901482E+00
  95    0.139912E-04    0.501617E+02 -0.278921E-06 0.100000E-04    0.908611E+00
  96    0.545746E-05    0.462531E+02 -0.117991E-06 0.100000E-04    0.973484E+00
  97    0.160454E-04    0.432996E+02 -0.370567E-06 0.100000E-04    0.902382E+00
  98    0.654269E-05    0.408933E+02 -0.159994E-06 0.100000E-04    0.931899E+00
  99   -0.500113E-06    0.378862E+02  0.132004E-07 0.100000E-04    0.564892E+00
 100   -0.423732E-05    0.362757E+02  0.116809E-06 0.100000E-04    0.876543E+00
 101   -0.652799E-04    0.323418E+02  0.201844E-05 0.100000E-04    0.920122E+00
 102    0.140762E-04    0.288592E+02 -0.487753E-06 0.100000E-04    0.891282E+00
 103    0.176678E-04    0.284497E+02 -0.621021E-06 0.100000E-04    0.880305E+00
 104   -0.172875E-04    0.262807E+02  0.657804E-06 0.100000E-04    0.846198E+00
 105    0.173208E-04    0.233157E+02 -0.742881E-06 0.100000E-04    0.938599E+00
 106    0.132472E-04    0.213126E+02 -0.621566E-06 0.100000E-04    0.904223E+00
 107    0.707060E-03    0.198694E+02 -0.100000E-04 0.100000E-04    0.741358E+00
 108    0.989811E-03    0.164894E+02 -0.100000E-04 0.100000E-04    0.844669E+00
 109    0.309872E-04    0.138968E+02 -0.222980E-05 0.100000E-04    0.882843E+00
 110   -0.118396E-01    0.122372E+02  0.100000E-04 0.100000E-04    0.346660E+00
 111    0.261002E-04    0.100916E+02 -0.258633E-05 0.100000E-04    0.933353E+00
 112    0.341147E-01    0.887155E+01 -0.189004E-04 0.189004E-04    0.351449E+00
 113   -0.830576E-01    0.574322E+01  0.147556E-03 0.147556E-03    0.187831E+00
 114   -0.911512E+00    0.321318E+01 -0.927979E-04 0.927979E-04    0.418799E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1475564800E-03    0.2639197606    

 Beginning of optimization cycle  516.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3005334962
 potential> RMS force:                                               0.0858111569   |gradient|=.9162124376    
 Eigenvalues of the Hessian matrix:
   746.16238    674.27009    630.38811    600.94945    586.48844    578.83854 
   565.36708    487.43719    460.77773    459.88153    441.73279    429.15434 
   421.99891    408.15026    396.41491    387.64310    369.95284    360.53047 
   349.40597    335.25382    329.17580    321.88485    319.01168    309.59606 
   300.88987    290.53289    278.78345    272.65253    268.46636    264.90599 
   263.68235    253.25456    241.50304    240.72361    233.89958    227.48401 
   217.03646    214.88474    213.26873    207.60391    203.04332    195.55257 
   194.80467    191.33478    182.89207    174.25349    172.30288    168.18249 
   163.29100    156.91038    154.86475    152.26968    146.74500    143.40713 
   138.02241    135.87254    130.33310    128.80538    126.86800    124.21749 
   119.98822    118.16569    116.90754    110.34289    106.87887    104.40951 
   102.83940     99.55076     96.10769     94.13857     92.03749     91.18418 
    88.48235     85.56828     80.82246     80.43020     77.97192     73.31722 
    72.63274     67.95940     64.81418     61.42197     59.86704     59.39650 
    58.16449     55.88315     52.47145     52.07241     50.16447     46.24891 
    43.30256     40.89397     37.88492     36.27094     32.33789     28.86065 
    28.44971     26.28116     23.31613     21.31288     19.86788     16.48796 
    13.89711     12.23719     10.09152      8.87898      5.74277      3.21119 
overlap for current and previous eigenvector    109 is         0.9999996640
overlap for current and previous eigenvector    110 is         0.9999999373
overlap for current and previous eigenvector    111 is         0.9999992965
overlap for current and previous eigenvector    112 is         0.9999985088
overlap for current and previous eigenvector    113 is         0.9999977313
overlap for current and previous eigenvector    114 is         0.9999985156
J1,K1,R1,R2,RAT=   7   7    0.1110719982         1.888846825        0.8888468250    
FOB,PFOB,DIAG,PSTEP=   -0.1931531659E-05   -0.2172888526E-05     746.1623794        0.2912203542E-08
J1,K1,R1,R2,RAT=   8   8    0.3861408905E-01     1.961416900        0.9613859110    
FOB,PFOB,DIAG,PSTEP=   -0.3232206648E-05   -0.3362026216E-05     674.2700915        0.4986094098E-08
J1,K1,R1,R2,RAT=   9   9   -0.2077663844E-01     2.020726037        0.9792233616    
FOB,PFOB,DIAG,PSTEP=   -0.4424840752E-05   -0.4334776392E-05     630.3881115        0.6876535244E-08
J1,K1,R1,R2,RAT=  10  10    -2.248453083         4.248485509         1.248453083    
FOB,PFOB,DIAG,PSTEP=   -0.3788871163E-06   -0.1166374759E-06     600.9494451        0.1940855189E-09
J1,K1,R1,R2,RAT=  11  11    0.3360501406         1.663971209        0.6639498594    
FOB,PFOB,DIAG,PSTEP=   -0.2609217149E-06   -0.3929819421E-06     586.4884371        0.6700519945E-09
J1,K1,R1,R2,RAT= 109 109    0.2922982510E-01     1.970728181        0.9707281810    
FOB,PFOB,DIAG,PSTEP=    0.3008140424E-04    0.3098717290E-04     13.89710508       -0.2229804220E-05
J1,K1,R1,R2,RAT= 110 110     1.461587176         192.0396219        0.4615871761    
FOB,PFOB,DIAG,PSTEP=   -0.1166069512E-01   -0.1183955228E-01     12.23718687        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1270925740         1.872918252        0.8729074260    
FOB,PFOB,DIAG,PSTEP=    0.2278305603E-04    0.2610017672E-04     10.09151938       -0.2586333579E-05
J1,K1,R1,R2,RAT= 112 112   -0.8826547303         407.4561723        0.1173452697    
FOB,PFOB,DIAG,PSTEP=    0.3426286488E-01    0.3411474143E-01     8.878980912       -0.1890035102E-04
J1,K1,R1,R2,RAT= 113 113   -0.7584613996         196.7917129        0.2415386004    
FOB,PFOB,DIAG,PSTEP=   -0.8370032848E-01   -0.8305762120E-01     5.742770417        0.1475564800E-03
J1,K1,R1,R2,RAT= 114 114    0.5060801538        -6118.210438        0.4939198462    
FOB,PFOB,DIAG,PSTEP=   -0.9116623077       -0.9115115002         3.211185352       -0.9279792991E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00002      0.00001      0.00001     -0.00001     -0.00001 
     0.00001      0.00001     -0.00000     -0.00000     -0.00000     -0.00001 
     0.00001     -0.00001      0.00000     -0.00001     -0.00000     -0.00000 
     0.00000      0.00001      0.00001     -0.00000     -0.00001      0.00000 
     0.00001      0.00000     -0.00000     -0.00001      0.00000      0.00001 
    -0.00000     -0.00000     -0.00001      0.00000     -0.00001      0.00000 
    -0.00000      0.00001     -0.00001     -0.00001      0.00000     -0.00000 
     0.00001      0.00000     -0.00000     -0.00001      0.00002     -0.00001 
    -0.00001     -0.00003      0.00002     -0.00001     -0.00002      0.00001 
    -0.00002      0.00000      0.00000     -0.00000     -0.00007      0.00001 
     0.00002     -0.00001      0.00002      0.00002      0.00067      0.00097 
     0.00003     -0.01166      0.00002      0.03426     -0.08370     -0.91166 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3849713826
 Log product of positive Hessian eigenvalues =          519.0709500892
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2111853524
 Unscaled step for mode    7=        0.0000000026
 Unscaled step for mode    8=        0.0000000048
 Unscaled step for mode    9=        0.0000000070
 Unscaled step for mode   10=        0.0000000006
 Unscaled step for mode   11=        0.0000000004
 Unscaled step for mode   12=        0.0000000118
 Unscaled step for mode   13=        0.0000000014
 Unscaled step for mode   14=       -0.0000000075
 Unscaled step for mode   15=        0.0000000032
 Unscaled step for mode   16=        0.0000000016
 Unscaled step for mode   17=        0.0000000083
 Unscaled step for mode   18=        0.0000000034
 Unscaled step for mode   19=        0.0000000058
 Unscaled step for mode   20=        0.0000000043
 Unscaled step for mode   21=        0.0000000049
 Unscaled step for mode   22=        0.0000000112
 Unscaled step for mode   23=       -0.0000000138
 Unscaled step for mode   24=        0.0000000077
 Unscaled step for mode   25=        0.0000000101
 Unscaled step for mode   26=        0.0000000096
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000048
 Unscaled step for mode   29=        0.0000000066
 Unscaled step for mode   30=        0.0000000367
 Unscaled step for mode   31=        0.0000000328
 Unscaled step for mode   32=        0.0000000289
 Unscaled step for mode   33=       -0.0000000009
 Unscaled step for mode   34=        0.0000000057
 Unscaled step for mode   35=       -0.0000000313
 Unscaled step for mode   36=       -0.0000000417
 Unscaled step for mode   37=        0.0000000037
 Unscaled step for mode   38=       -0.0000000048
 Unscaled step for mode   39=        0.0000000150
 Unscaled step for mode   40=        0.0000000438
 Unscaled step for mode   41=        0.0000000445
 Unscaled step for mode   42=        0.0000000562
 Unscaled step for mode   43=        0.0000000102
 Unscaled step for mode   44=        0.0000000776
 Unscaled step for mode   45=       -0.0000000261
 Unscaled step for mode   46=       -0.0000000486
 Unscaled step for mode   47=        0.0000000357
 Unscaled step for mode   48=        0.0000000322
 Unscaled step for mode   49=       -0.0000000507
 Unscaled step for mode   50=       -0.0000000541
 Unscaled step for mode   51=        0.0000000056
 Unscaled step for mode   52=        0.0000000114
 Unscaled step for mode   53=        0.0000000140
 Unscaled step for mode   54=        0.0000000314
 Unscaled step for mode   55=       -0.0000000485
 Unscaled step for mode   56=        0.0000000425
 Unscaled step for mode   57=       -0.0000000029
 Unscaled step for mode   58=        0.0000000561
 Unscaled step for mode   59=        0.0000000214
 Unscaled step for mode   60=        0.0000000173
 Unscaled step for mode   61=       -0.0000000247
 Unscaled step for mode   62=       -0.0000000497
 Unscaled step for mode   63=       -0.0000001020
 Unscaled step for mode   64=        0.0000000241
 Unscaled step for mode   65=        0.0000000475
 Unscaled step for mode   66=       -0.0000000345
 Unscaled step for mode   67=       -0.0000001097
 Unscaled step for mode   68=       -0.0000000095
 Unscaled step for mode   69=        0.0000000066
 Unscaled step for mode   70=        0.0000001235
 Unscaled step for mode   71=       -0.0000000358
 Unscaled step for mode   72=       -0.0000001137
 Unscaled step for mode   73=        0.0000000097
 Unscaled step for mode   74=        0.0000000246
 Unscaled step for mode   75=        0.0000000801
 Unscaled step for mode   76=       -0.0000000367
 Unscaled step for mode   77=        0.0000001607
 Unscaled step for mode   78=       -0.0000000178
 Unscaled step for mode   79=        0.0000000338
 Unscaled step for mode   80=       -0.0000000661
 Unscaled step for mode   81=        0.0000001356
 Unscaled step for mode   82=        0.0000001276
 Unscaled step for mode   83=       -0.0000000433
 Unscaled step for mode   84=        0.0000000054
 Unscaled step for mode   85=       -0.0000001939
 Unscaled step for mode   86=       -0.0000000092
 Unscaled step for mode   87=        0.0000000356
 Unscaled step for mode   88=        0.0000001259
 Unscaled step for mode   89=       -0.0000002633
 Unscaled step for mode   90=        0.0000002228
 Unscaled step for mode   91=        0.0000001894
 Unscaled step for mode   92=        0.0000005192
 Unscaled step for mode   93=       -0.0000004281
 Unscaled step for mode   94=        0.0000001597
 Unscaled step for mode   95=        0.0000003047
 Unscaled step for mode   96=       -0.0000001479
 Unscaled step for mode   97=        0.0000004469
 Unscaled step for mode   98=       -0.0000000871
 Unscaled step for mode   99=       -0.0000001207
 Unscaled step for mode  100=        0.0000000422
 Unscaled step for mode  101=        0.0000021553
 Unscaled step for mode  102=       -0.0000003210
 Unscaled step for mode  103=       -0.0000005890
 Unscaled step for mode  104=        0.0000003955
 Unscaled step for mode  105=       -0.0000009465
 Unscaled step for mode  106=       -0.0000007337
 Unscaled step for mode  107=       -0.0000335297
 Unscaled step for mode  108=       -0.0000590894
 Unscaled step for mode  109=       -0.0000021646
 Unscaled step for mode  110=        0.0009528893
 Unscaled step for mode  111=       -0.0000022576
 Unscaled step for mode  112=       -0.0038588161
 Unscaled step for mode  113=        0.0145718094
 Unscaled step for mode  114=       -0.2641002424
 Largest modulus ratio of non-zero e/values=           232.3635348    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.316804E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.134327E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.470334E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.753737E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.132191E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.173926E-14    0.974256E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.193153E-05    0.746162E+03  0.258862E-08 0.100000E-04    0.888847E+00
   8   -0.323221E-05    0.674270E+03  0.479364E-08 0.100000E-04    0.961386E+00
   9   -0.442484E-05    0.630388E+03  0.701923E-08 0.100000E-04    0.979223E+00
  10   -0.378887E-06    0.600949E+03  0.630481E-09 0.100000E-04    0.124845E+01
  11   -0.260922E-06    0.586488E+03  0.444888E-09 0.100000E-04    0.663950E+00
  12   -0.685881E-05    0.578839E+03  0.118493E-07 0.100000E-04    0.993992E+00
  13   -0.794593E-06    0.565367E+03  0.140545E-08 0.100000E-04    0.959347E+00
  14    0.367933E-05    0.487437E+03 -0.754832E-08 0.100000E-04    0.997993E+00
  15   -0.146895E-05    0.460778E+03  0.318799E-08 0.100000E-04    0.821686E+00
  16   -0.746280E-06    0.459882E+03  0.162277E-08 0.100000E-04    0.229754E+00
  17   -0.365200E-05    0.441733E+03  0.826743E-08 0.100000E-04    0.871570E+00
  18   -0.145086E-05    0.429154E+03  0.338074E-08 0.100000E-04    0.820459E+00
  19   -0.246116E-05    0.421999E+03  0.583215E-08 0.100000E-04    0.772101E+00
  20   -0.174634E-05    0.408150E+03  0.427866E-08 0.100000E-04    0.869119E+00
  21   -0.193995E-05    0.396415E+03  0.489373E-08 0.100000E-04    0.866698E+00
  22   -0.433282E-05    0.387643E+03  0.111774E-07 0.100000E-04    0.929185E+00
  23    0.510442E-05    0.369953E+03 -0.137975E-07 0.100000E-04    0.945024E+00
  24   -0.277544E-05    0.360530E+03  0.769820E-08 0.100000E-04    0.939798E+00
  25   -0.352574E-05    0.349406E+03  0.100907E-07 0.100000E-04    0.815752E+00
  26   -0.323111E-05    0.335254E+03  0.963781E-08 0.100000E-04    0.732675E+00
  27    0.332399E-06    0.329176E+03 -0.100979E-08 0.100000E-04    0.969847E+00
  28   -0.155254E-05    0.321885E+03  0.482327E-08 0.100000E-04    0.506080E+00
  29   -0.211860E-05    0.319012E+03  0.664113E-08 0.100000E-04    0.607900E+00
  30   -0.113507E-04    0.309596E+03  0.366630E-07 0.100000E-04    0.986330E+00
  31   -0.985968E-05    0.300890E+03  0.327684E-07 0.100000E-04    0.967911E+00
  32   -0.840700E-05    0.290533E+03  0.289365E-07 0.100000E-04    0.980865E+00
  33    0.244811E-06    0.278783E+03 -0.878140E-09 0.100000E-04    0.260019E+00
  34   -0.154247E-05    0.272653E+03  0.565729E-08 0.100000E-04    0.632460E+00
  35    0.840661E-05    0.268466E+03 -0.313135E-07 0.100000E-04    0.953326E+00
  36    0.110370E-04    0.264906E+03 -0.416638E-07 0.100000E-04    0.938614E+00
  37   -0.968260E-06    0.263682E+03  0.367207E-08 0.100000E-04    0.967699E+00
  38    0.121968E-05    0.253255E+03 -0.481604E-08 0.100000E-04    0.857447E+00
  39   -0.363410E-05    0.241503E+03  0.150478E-07 0.100000E-04    0.802338E+00
  40   -0.105371E-04    0.240724E+03  0.437727E-07 0.100000E-04    0.919836E+00
  41   -0.104169E-04    0.233900E+03  0.445357E-07 0.100000E-04    0.891489E+00
  42   -0.127881E-04    0.227484E+03  0.562154E-07 0.100000E-04    0.983896E+00
  43   -0.220865E-05    0.217036E+03  0.101764E-07 0.100000E-04    0.918216E+00
  44   -0.166741E-04    0.214885E+03  0.775953E-07 0.100000E-04    0.951574E+00
  45    0.556061E-05    0.213269E+03 -0.260733E-07 0.100000E-04    0.911898E+00
  46    0.100921E-04    0.207604E+03 -0.486123E-07 0.100000E-04    0.917931E+00
  47   -0.724447E-05    0.203043E+03  0.356794E-07 0.100000E-04    0.946851E+00
  48   -0.630218E-05    0.195553E+03  0.322275E-07 0.100000E-04    0.882010E+00
  49    0.986793E-05    0.194805E+03 -0.506555E-07 0.100000E-04    0.951573E+00
  50    0.103585E-04    0.191335E+03 -0.541380E-07 0.100000E-04    0.876754E+00
  51   -0.102658E-05    0.182892E+03  0.561302E-08 0.100000E-04    0.641172E+00
  52   -0.198966E-05    0.174253E+03  0.114182E-07 0.100000E-04    0.657470E+00
  53   -0.240545E-05    0.172303E+03  0.139606E-07 0.100000E-04    0.826124E+00
  54   -0.528641E-05    0.168182E+03  0.314326E-07 0.100000E-04    0.876892E+00
  55    0.792470E-05    0.163291E+03 -0.485311E-07 0.100000E-04    0.927181E+00
  56   -0.667090E-05    0.156910E+03  0.425141E-07 0.100000E-04    0.984449E+00
  57    0.451571E-06    0.154865E+03 -0.291591E-08 0.100000E-04    0.358464E+00
  58   -0.853837E-05    0.152270E+03  0.560740E-07 0.100000E-04    0.923978E+00
  59   -0.314041E-05    0.146745E+03  0.214004E-07 0.100000E-04    0.925418E+00
  60   -0.247432E-05    0.143407E+03  0.172538E-07 0.100000E-04    0.731518E+00
  61    0.341035E-05    0.138022E+03 -0.247087E-07 0.100000E-04    0.349320E+00
  62    0.675808E-05    0.135873E+03 -0.497384E-07 0.100000E-04    0.961007E+00
  63    0.132982E-04    0.130333E+03 -0.102033E-06 0.100000E-04    0.897035E+00
  64   -0.310854E-05    0.128805E+03  0.241336E-07 0.100000E-04    0.630115E+00
  65   -0.602098E-05    0.126868E+03  0.474586E-07 0.100000E-04    0.706824E+00
  66    0.428369E-05    0.124217E+03 -0.344854E-07 0.100000E-04    0.861557E+00
  67    0.131639E-04    0.119988E+03 -0.109710E-06 0.100000E-04    0.987410E+00
  68    0.112707E-05    0.118166E+03 -0.953803E-08 0.100000E-04    0.628915E+00
  69   -0.766922E-06    0.116908E+03  0.656007E-08 0.100000E-04    0.587045E+00
  70   -0.136314E-04    0.110343E+03  0.123537E-06 0.100000E-04    0.973495E+00
  71    0.382214E-05    0.106879E+03 -0.357614E-07 0.100000E-04    0.913229E+00
  72    0.118690E-04    0.104410E+03 -0.113678E-06 0.100000E-04    0.788050E+00
  73   -0.100092E-05    0.102839E+03  0.973289E-08 0.100000E-04    0.576353E+00
  74   -0.245275E-05    0.995508E+02  0.246382E-07 0.100000E-04    0.806866E+00
  75   -0.769553E-05    0.961077E+02  0.800720E-07 0.100000E-04    0.751141E+00
  76    0.345491E-05    0.941386E+02 -0.367002E-07 0.100000E-04    0.954839E+00
  77   -0.147949E-04    0.920375E+02  0.160748E-06 0.100000E-04    0.883949E+00
  78    0.162500E-05    0.911842E+02 -0.178211E-07 0.100000E-04    0.718048E+00
  79   -0.299294E-05    0.884824E+02  0.338253E-07 0.100000E-04    0.992407E+00
  80    0.565237E-05    0.855683E+02 -0.660569E-07 0.100000E-04    0.989103E+00
  81   -0.109560E-04    0.808225E+02  0.135556E-06 0.100000E-04    0.933149E+00
  82   -0.102618E-04    0.804302E+02  0.127587E-06 0.100000E-04    0.999638E+00
  83    0.337584E-05    0.779719E+02 -0.432956E-07 0.100000E-04    0.928940E+00
  84   -0.393960E-06    0.733172E+02  0.537336E-08 0.109000E-04    0.118678E+00
  85    0.140866E-04    0.726327E+02 -0.193943E-06 0.100000E-04    0.878979E+00
  86    0.626772E-06    0.679594E+02 -0.922275E-08 0.100000E-04    0.922664E+00
  87   -0.230461E-05    0.648142E+02  0.355572E-07 0.100000E-04    0.565099E+01
  88   -0.773191E-05    0.614220E+02  0.125882E-06 0.100000E-04    0.900019E+00
  89    0.157648E-04    0.598670E+02 -0.263330E-06 0.100000E-04    0.995689E+00
  90   -0.132320E-04    0.593965E+02  0.222774E-06 0.100000E-04    0.953587E+00
  91   -0.110160E-04    0.581645E+02  0.189393E-06 0.100000E-04    0.596447E+00
  92   -0.290131E-04    0.558831E+02  0.519175E-06 0.100000E-04    0.998911E+00
  93    0.224624E-04    0.524714E+02 -0.428087E-06 0.100000E-04    0.964919E+00
  94   -0.831563E-05    0.520724E+02  0.159694E-06 0.100000E-04    0.817842E+00
  95   -0.152870E-04    0.501645E+02  0.304737E-06 0.100000E-04    0.907389E+00
  96    0.683795E-05    0.462489E+02 -0.147851E-06 0.100000E-04    0.747023E+00
  97   -0.193540E-04    0.433026E+02  0.446947E-06 0.100000E-04    0.793813E+00
  98    0.356013E-05    0.408940E+02 -0.870575E-07 0.100000E-04    0.544113E+00
  99    0.457132E-05    0.378849E+02 -0.120663E-06 0.100000E-04    0.714086E+01
 100   -0.152904E-05    0.362709E+02  0.421561E-07 0.100000E-04    0.360768E+00
 101   -0.696994E-04    0.323379E+02  0.215535E-05 0.100000E-04    0.932292E+00
 102    0.926295E-05    0.288607E+02 -0.320954E-06 0.100000E-04    0.657977E+00
 103    0.167578E-04    0.284497E+02 -0.589031E-06 0.100000E-04    0.948486E+00
 104   -0.103951E-04    0.262812E+02  0.395534E-06 0.100000E-04    0.601276E+00
 105    0.220686E-04    0.233161E+02 -0.946497E-06 0.100000E-04    0.725891E+00
 106    0.156366E-04    0.213129E+02 -0.733669E-06 0.100000E-04    0.819631E+00
 107    0.666165E-03    0.198679E+02 -0.100000E-04 0.100000E-04    0.794165E+00
 108    0.974264E-03    0.164880E+02 -0.100000E-04 0.100000E-04    0.905706E+00
 109    0.300814E-04    0.138971E+02 -0.216458E-05 0.100000E-04    0.970728E+00
 110   -0.116607E-01    0.122372E+02  0.100000E-04 0.100000E-04    0.461587E+00
 111    0.227831E-04    0.100915E+02 -0.225764E-05 0.100000E-04    0.872907E+00
 112    0.342629E-01    0.887898E+01 -0.206014E-04 0.206014E-04    0.117345E+00
 113   -0.837003E-01    0.574277E+01  0.132934E-03 0.132934E-03    0.241539E+00
 114   -0.911662E+00    0.321119E+01 -0.836017E-04 0.836017E-04    0.493920E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1329337658E-03    0.2641002424    

 Beginning of optimization cycle  517.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3004691791
 potential> RMS force:                                               0.0858288298   |gradient|=.9164011317    
 Eigenvalues of the Hessian matrix:
   746.18992    674.26090    630.40278    600.94007    586.48283    578.84527 
   565.34666    487.43736    460.77071    459.87648    441.72938    429.16374 
   421.99712    408.14280    396.41194    387.63749    369.95604    360.53147 
   349.40447    335.25774    329.18218    321.88292    319.01684    309.58932 
   300.88660    290.53583    278.79224    272.65719    268.47074    264.90845 
   263.69006    253.25268    241.50514    240.72819    233.90414    227.48658 
   217.03999    214.88485    213.26756    207.60711    203.04056    195.54729 
   194.80708    191.33607    182.89512    174.25798    172.30348    168.18521 
   163.28739    156.90774    154.86764    152.26964    146.74065    143.40444 
   138.02592    135.87233    130.33113    128.80692    126.86902    124.21049 
   119.98894    118.16578    116.90443    110.34362    106.87684    104.41022 
   102.83907     99.54941     96.10696     94.13677     92.03349     91.18627 
    88.47890     85.57018     80.82265     80.43390     77.97038     73.31599 
    72.62927     67.95648     64.81068     61.41801     59.86528     59.39618 
    58.16222     55.88148     52.47038     52.06985     50.16709     46.24516 
    43.30521     40.89464     37.88386     36.26686     32.33441     28.86203 
    28.44976     26.28169     23.31648     21.31325     19.86654     16.48669 
    13.89739     12.23718     10.09144      8.88587      5.74243      3.20936 
overlap for current and previous eigenvector    109 is         0.9999997179
overlap for current and previous eigenvector    110 is         0.9999999520
overlap for current and previous eigenvector    111 is         0.9999994222
overlap for current and previous eigenvector    112 is         0.9999987350
overlap for current and previous eigenvector    113 is         0.9999980732
overlap for current and previous eigenvector    114 is         0.9999987570
J1,K1,R1,R2,RAT=   7   7    0.1108379882         1.889088205        0.8890882047    
FOB,PFOB,DIAG,PSTEP=   -0.1717436675E-05   -0.1931531659E-05     746.1899164        0.2588621073E-08
J1,K1,R1,R2,RAT=   8   8    0.9665971381E-01     1.903367547        0.9033402862    
FOB,PFOB,DIAG,PSTEP=   -0.2919786737E-05   -0.3232206648E-05     674.2609010        0.4793637874E-08
J1,K1,R1,R2,RAT=   9   9    0.9388654603E-01     1.906066926        0.9060669256    
FOB,PFOB,DIAG,PSTEP=   -0.4009398072E-05   -0.4424840752E-05     630.4027773        0.7019232551E-08
J1,K1,R1,R2,RAT=  10  10    0.2591401111         1.740891106        0.7408598889    
FOB,PFOB,DIAG,PSTEP=   -0.2807037994E-06   -0.3788871163E-06     600.9400652        0.6304808488E-09
J1,K1,R1,R2,RAT=  11  11    0.1406119776         1.859407156        0.8593880224    
FOB,PFOB,DIAG,PSTEP=   -0.2242333476E-06   -0.2609217149E-06     586.4828262        0.4448880803E-09
J1,K1,R1,R2,RAT= 109 109    0.7663682664E-01     1.923322070        0.9233220704    
FOB,PFOB,DIAG,PSTEP=    0.2777601350E-04    0.3008140424E-04     13.89739069       -0.2164580613E-05
J1,K1,R1,R2,RAT= 110 110     1.410822586         189.1673897        0.4108225856    
FOB,PFOB,DIAG,PSTEP=   -0.1148805029E-01   -0.1166069512E-01     12.23717547        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3768637116E-01     1.962328957        0.9623136288    
FOB,PFOB,DIAG,PSTEP=    0.2192445191E-04    0.2278305603E-04     10.09144204       -0.2257643787E-05
J1,K1,R1,R2,RAT= 112 112   -0.5852662886         374.9174208        0.4147337114    
FOB,PFOB,DIAG,PSTEP=    0.3437000449E-01    0.3426286488E-01     8.885874342       -0.2060138261E-04
J1,K1,R1,R2,RAT= 113 113   -0.7852162768         220.0789712        0.2147837232    
FOB,PFOB,DIAG,PSTEP=   -0.8429973324E-01   -0.8370032848E-01     5.742428368        0.1329337658E-03
J1,K1,R1,R2,RAT= 114 114    0.4943722333        -6796.129717        0.5056277667    
FOB,PFOB,DIAG,PSTEP=   -0.9117949518       -0.9116623077         3.209361357       -0.8360173866E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00002      0.00001      0.00001     -0.00001     -0.00001 
     0.00001      0.00001     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00001     -0.00001      0.00000      0.00001     -0.00000     -0.00000 
    -0.00000      0.00001      0.00001      0.00000      0.00001      0.00000 
     0.00001     -0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00001      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00001     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00001     -0.00001 
     0.00001      0.00003      0.00002      0.00001      0.00001     -0.00001 
     0.00002     -0.00000     -0.00000      0.00000      0.00006     -0.00001 
     0.00002      0.00001      0.00002      0.00002     -0.00061     -0.00095 
     0.00003     -0.01149      0.00002      0.03437     -0.08430     -0.91179 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3849148725
 Log product of positive Hessian eigenvalues =          519.0704829888
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2093613568
 Unscaled step for mode    7=        0.0000000023
 Unscaled step for mode    8=        0.0000000043
 Unscaled step for mode    9=        0.0000000064
 Unscaled step for mode   10=        0.0000000005
 Unscaled step for mode   11=        0.0000000004
 Unscaled step for mode   12=        0.0000000108
 Unscaled step for mode   13=        0.0000000012
 Unscaled step for mode   14=       -0.0000000068
 Unscaled step for mode   15=        0.0000000030
 Unscaled step for mode   16=        0.0000000014
 Unscaled step for mode   17=        0.0000000074
 Unscaled step for mode   18=        0.0000000032
 Unscaled step for mode   19=        0.0000000052
 Unscaled step for mode   20=        0.0000000040
 Unscaled step for mode   21=        0.0000000045
 Unscaled step for mode   22=        0.0000000102
 Unscaled step for mode   23=       -0.0000000125
 Unscaled step for mode   24=        0.0000000069
 Unscaled step for mode   25=        0.0000000089
 Unscaled step for mode   26=        0.0000000083
 Unscaled step for mode   27=       -0.0000000014
 Unscaled step for mode   28=        0.0000000045
 Unscaled step for mode   29=        0.0000000056
 Unscaled step for mode   30=        0.0000000336
 Unscaled step for mode   31=        0.0000000293
 Unscaled step for mode   32=        0.0000000268
 Unscaled step for mode   33=       -0.0000000010
 Unscaled step for mode   34=        0.0000000051
 Unscaled step for mode   35=       -0.0000000283
 Unscaled step for mode   36=       -0.0000000381
 Unscaled step for mode   37=        0.0000000036
 Unscaled step for mode   38=       -0.0000000041
 Unscaled step for mode   39=        0.0000000135
 Unscaled step for mode   40=        0.0000000399
 Unscaled step for mode   41=        0.0000000397
 Unscaled step for mode   42=        0.0000000514
 Unscaled step for mode   43=        0.0000000087
 Unscaled step for mode   44=        0.0000000700
 Unscaled step for mode   45=       -0.0000000239
 Unscaled step for mode   46=       -0.0000000437
 Unscaled step for mode   47=        0.0000000321
 Unscaled step for mode   48=        0.0000000295
 Unscaled step for mode   49=       -0.0000000452
 Unscaled step for mode   50=       -0.0000000486
 Unscaled step for mode   51=        0.0000000043
 Unscaled step for mode   52=        0.0000000111
 Unscaled step for mode   53=        0.0000000127
 Unscaled step for mode   54=        0.0000000278
 Unscaled step for mode   55=       -0.0000000446
 Unscaled step for mode   56=        0.0000000399
 Unscaled step for mode   57=       -0.0000000023
 Unscaled step for mode   58=       -0.0000000514
 Unscaled step for mode   59=        0.0000000200
 Unscaled step for mode   60=        0.0000000153
 Unscaled step for mode   61=        0.0000000224
 Unscaled step for mode   62=       -0.0000000450
 Unscaled step for mode   63=       -0.0000000932
 Unscaled step for mode   64=       -0.0000000207
 Unscaled step for mode   65=       -0.0000000432
 Unscaled step for mode   66=       -0.0000000310
 Unscaled step for mode   67=       -0.0000001002
 Unscaled step for mode   68=        0.0000000091
 Unscaled step for mode   69=        0.0000000068
 Unscaled step for mode   70=        0.0000001102
 Unscaled step for mode   71=        0.0000000325
 Unscaled step for mode   72=        0.0000001019
 Unscaled step for mode   73=        0.0000000080
 Unscaled step for mode   74=       -0.0000000239
 Unscaled step for mode   75=        0.0000000712
 Unscaled step for mode   76=       -0.0000000322
 Unscaled step for mode   77=       -0.0000001480
 Unscaled step for mode   78=       -0.0000000114
 Unscaled step for mode   79=       -0.0000000321
 Unscaled step for mode   80=       -0.0000000576
 Unscaled step for mode   81=       -0.0000001229
 Unscaled step for mode   82=       -0.0000001140
 Unscaled step for mode   83=        0.0000000336
 Unscaled step for mode   84=       -0.0000000060
 Unscaled step for mode   85=        0.0000001755
 Unscaled step for mode   86=       -0.0000000083
 Unscaled step for mode   87=        0.0000000361
 Unscaled step for mode   88=        0.0000001236
 Unscaled step for mode   89=       -0.0000002383
 Unscaled step for mode   90=        0.0000001994
 Unscaled step for mode   91=       -0.0000001850
 Unscaled step for mode   92=       -0.0000004687
 Unscaled step for mode   93=       -0.0000003971
 Unscaled step for mode   94=       -0.0000001456
 Unscaled step for mode   95=       -0.0000002720
 Unscaled step for mode   96=        0.0000001453
 Unscaled step for mode   97=       -0.0000003996
 Unscaled step for mode   98=        0.0000000864
 Unscaled step for mode   99=        0.0000001185
 Unscaled step for mode  100=       -0.0000000216
 Unscaled step for mode  101=       -0.0000020007
 Unscaled step for mode  102=        0.0000002865
 Unscaled step for mode  103=       -0.0000005278
 Unscaled step for mode  104=       -0.0000003570
 Unscaled step for mode  105=       -0.0000009194
 Unscaled step for mode  106=       -0.0000007346
 Unscaled step for mode  107=        0.0000307825
 Unscaled step for mode  108=        0.0000574364
 Unscaled step for mode  109=       -0.0000019986
 Unscaled step for mode  110=        0.0009387820
 Unscaled step for mode  111=       -0.0000021726
 Unscaled step for mode  112=       -0.0038678794
 Unscaled step for mode  113=        0.0146769918
 Unscaled step for mode  114=       -0.2642641790
 Largest modulus ratio of non-zero e/values=           232.5041756    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.717308E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.231510E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.124566E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.116086E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.316912E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.221222E-14    0.974257E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171744E-05    0.746190E+03  0.230161E-08 0.100000E-04    0.889088E+00
   8   -0.291979E-05    0.674261E+03  0.433035E-08 0.100000E-04    0.903340E+00
   9   -0.400940E-05    0.630403E+03  0.636006E-08 0.100000E-04    0.906067E+00
  10   -0.280704E-06    0.600940E+03  0.467108E-09 0.100000E-04    0.740860E+00
  11   -0.224233E-06    0.586483E+03  0.382336E-09 0.100000E-04    0.859388E+00
  12   -0.622410E-05    0.578845E+03  0.107526E-07 0.100000E-04    0.907440E+00
  13   -0.655312E-06    0.565347E+03  0.115913E-08 0.100000E-04    0.824708E+00
  14    0.331879E-05    0.487437E+03 -0.680865E-08 0.100000E-04    0.902008E+00
  15   -0.139193E-05    0.460771E+03  0.302088E-08 0.100000E-04    0.947566E+00
  16   -0.658545E-06    0.459876E+03  0.143200E-08 0.100000E-04    0.882435E+00
  17   -0.327889E-05    0.441729E+03  0.742284E-08 0.100000E-04    0.897833E+00
  18   -0.138204E-05    0.429164E+03  0.322032E-08 0.100000E-04    0.952526E+00
  19   -0.218754E-05    0.421997E+03  0.518379E-08 0.100000E-04    0.888826E+00
  20   -0.164717E-05    0.408143E+03  0.403576E-08 0.100000E-04    0.943212E+00
  21   -0.177666E-05    0.396412E+03  0.448185E-08 0.100000E-04    0.915828E+00
  22   -0.397003E-05    0.387637E+03  0.102416E-07 0.100000E-04    0.916268E+00
  23    0.462072E-05    0.369956E+03 -0.124899E-07 0.100000E-04    0.905222E+00
  24   -0.250062E-05    0.360531E+03  0.693592E-08 0.100000E-04    0.900977E+00
  25   -0.311232E-05    0.349404E+03  0.890751E-08 0.100000E-04    0.882744E+00
  26   -0.276747E-05    0.335258E+03  0.825476E-08 0.100000E-04    0.856486E+00
  27    0.461975E-06    0.329182E+03 -0.140340E-08 0.100000E-04    0.610187E+00
  28   -0.144016E-05    0.321883E+03  0.447418E-08 0.100000E-04    0.927617E+00
  29   -0.179643E-05    0.319017E+03  0.563115E-08 0.100000E-04    0.847904E+00
  30   -0.103873E-04    0.309589E+03  0.335518E-07 0.100000E-04    0.915119E+00
  31   -0.880292E-05    0.300887E+03  0.292566E-07 0.100000E-04    0.892818E+00
  32   -0.778219E-05    0.290536E+03  0.267856E-07 0.100000E-04    0.925660E+00
  33    0.273674E-06    0.278792E+03 -0.981641E-09 0.100000E-04    0.882105E+00
  34   -0.138425E-05    0.272657E+03  0.507687E-08 0.100000E-04    0.897387E+00
  35    0.759753E-05    0.268471E+03 -0.282993E-07 0.100000E-04    0.903726E+00
  36    0.100864E-04    0.264908E+03 -0.380752E-07 0.100000E-04    0.913857E+00
  37   -0.956373E-06    0.263690E+03  0.362688E-08 0.100000E-04    0.987665E+00
  38    0.103883E-05    0.253253E+03 -0.410195E-08 0.100000E-04    0.851718E+00
  39   -0.326772E-05    0.241505E+03  0.135306E-07 0.100000E-04    0.899168E+00
  40   -0.960906E-05    0.240728E+03  0.399166E-07 0.100000E-04    0.911889E+00
  41   -0.929499E-05    0.233904E+03  0.397385E-07 0.100000E-04    0.892264E+00
  42   -0.117014E-04    0.227487E+03  0.514378E-07 0.100000E-04    0.915000E+00
  43   -0.187925E-05    0.217040E+03  0.865855E-08 0.100000E-04    0.850831E+00
  44   -0.150447E-04    0.214885E+03  0.700129E-07 0.100000E-04    0.902282E+00
  45    0.509024E-05    0.213268E+03 -0.238678E-07 0.100000E-04    0.915409E+00
  46    0.907659E-05    0.207607E+03 -0.437200E-07 0.100000E-04    0.899346E+00
  47   -0.651931E-05    0.203041E+03  0.321084E-07 0.100000E-04    0.899900E+00
  48   -0.577143E-05    0.195547E+03  0.295143E-07 0.100000E-04    0.915782E+00
  49    0.879715E-05    0.194807E+03 -0.451583E-07 0.100000E-04    0.891465E+00
  50    0.929114E-05    0.191336E+03 -0.485593E-07 0.100000E-04    0.896947E+00
  51   -0.786319E-06    0.182895E+03  0.429929E-08 0.100000E-04    0.765933E+00
  52   -0.193755E-05    0.174258E+03  0.111189E-07 0.100000E-04    0.973762E+00
  53   -0.219120E-05    0.172303E+03  0.127171E-07 0.100000E-04    0.910926E+00
  54   -0.468022E-05    0.168185E+03  0.278278E-07 0.100000E-04    0.885300E+00
  55    0.728246E-05    0.163287E+03 -0.445991E-07 0.100000E-04    0.918956E+00
  56   -0.625610E-05    0.156908E+03  0.398712E-07 0.100000E-04    0.937819E+00
  57    0.356644E-06    0.154868E+03 -0.230290E-08 0.100000E-04    0.789752E+00
  58    0.782730E-05    0.152270E+03 -0.514042E-07 0.100000E-04    0.916721E+00
  59   -0.294091E-05    0.146741E+03  0.200416E-07 0.100000E-04    0.936474E+00
  60   -0.219953E-05    0.143404E+03  0.153380E-07 0.100000E-04    0.888943E+00
  61   -0.308522E-05    0.138026E+03  0.223525E-07 0.100000E-04    0.904616E+00
  62    0.612020E-05    0.135872E+03 -0.450438E-07 0.100000E-04    0.905613E+00
  63    0.121445E-04    0.130331E+03 -0.931818E-07 0.100000E-04    0.913241E+00
  64    0.266756E-05    0.128807E+03 -0.207098E-07 0.100000E-04    0.858119E+00
  65    0.547823E-05    0.126869E+03 -0.431802E-07 0.100000E-04    0.909843E+00
  66    0.385274E-05    0.124210E+03 -0.310178E-07 0.100000E-04    0.899392E+00
  67    0.120197E-04    0.119989E+03 -0.100173E-06 0.100000E-04    0.913069E+00
  68   -0.107514E-05    0.118166E+03  0.909857E-08 0.100000E-04    0.953924E+00
  69   -0.789701E-06    0.116904E+03  0.675510E-08 0.100000E-04    0.970297E+00
  70   -0.121629E-04    0.110344E+03  0.110228E-06 0.100000E-04    0.892258E+00
  71   -0.347778E-05    0.106877E+03  0.325401E-07 0.100000E-04    0.909902E+00
  72   -0.106367E-04    0.104410E+03  0.101875E-06 0.100000E-04    0.896164E+00
  73   -0.824021E-06    0.102839E+03  0.801273E-08 0.100000E-04    0.823259E+00
  74    0.237891E-05    0.995494E+02 -0.238968E-07 0.100000E-04    0.969894E+00
  75   -0.684106E-05    0.961070E+02  0.711818E-07 0.100000E-04    0.888965E+00
  76    0.303518E-05    0.941368E+02 -0.322422E-07 0.100000E-04    0.878511E+00
  77    0.136216E-04    0.920335E+02 -0.148007E-06 0.100000E-04    0.920694E+00
  78    0.103847E-05    0.911863E+02 -0.113884E-07 0.100000E-04    0.639018E+00
  79    0.283793E-05    0.884789E+02 -0.320746E-07 0.100000E-04    0.948205E+00
  80    0.492897E-05    0.855702E+02 -0.576015E-07 0.100000E-04    0.871977E+00
  81    0.993682E-05    0.808226E+02 -0.122946E-06 0.100000E-04    0.906971E+00
  82    0.917275E-05    0.804339E+02 -0.114041E-06 0.100000E-04    0.893784E+00
  83   -0.262270E-05    0.779704E+02  0.336372E-07 0.100000E-04    0.776899E+00
  84    0.439552E-06    0.733160E+02 -0.599531E-08 0.100000E-04    0.884270E+00
  85   -0.127476E-04    0.726293E+02  0.175516E-06 0.100000E-04    0.904941E+00
  86    0.566254E-06    0.679565E+02 -0.833259E-08 0.100000E-04    0.903440E+00
  87   -0.234218E-05    0.648107E+02  0.361387E-07 0.100000E-04    0.983699E+00
  88   -0.759170E-05    0.614180E+02  0.123607E-06 0.100000E-04    0.981864E+00
  89    0.142675E-04    0.598653E+02 -0.238327E-06 0.100000E-04    0.905018E+00
  90   -0.118418E-04    0.593962E+02  0.199369E-06 0.100000E-04    0.894933E+00
  91    0.107601E-04    0.581622E+02 -0.185002E-06 0.100000E-04    0.976776E+00
  92    0.261915E-04    0.558815E+02 -0.468698E-06 0.100000E-04    0.902745E+00
  93    0.208340E-04    0.524704E+02 -0.397063E-06 0.100000E-04    0.927507E+00
  94    0.758158E-05    0.520698E+02 -0.145604E-06 0.100000E-04    0.911722E+00
  95    0.136476E-04    0.501671E+02 -0.272043E-06 0.100000E-04    0.892664E+00
  96   -0.671796E-05    0.462452E+02  0.145268E-06 0.100000E-04    0.982450E+00
  97    0.173044E-04    0.433052E+02 -0.399592E-06 0.100000E-04    0.893986E+00
  98   -0.353231E-05    0.408946E+02  0.863760E-07 0.100000E-04    0.992155E+00
  99   -0.449066E-05    0.378839E+02  0.118537E-06 0.100000E-04    0.982353E+00
 100    0.784211E-06    0.362669E+02 -0.216233E-07 0.100000E-04    0.512822E+00
 101    0.646920E-04    0.323344E+02 -0.200072E-05 0.100000E-04    0.928149E+00
 102   -0.827034E-05    0.288620E+02  0.286547E-06 0.100000E-04    0.892750E+00
 103    0.150172E-04    0.284498E+02 -0.527848E-06 0.100000E-04    0.896128E+00
 104    0.938313E-05    0.262817E+02 -0.357022E-06 0.100000E-04    0.902612E+00
 105    0.214374E-04    0.233165E+02 -0.919412E-06 0.100000E-04    0.971369E+00
 106    0.156568E-04    0.213133E+02 -0.734602E-06 0.100000E-04    0.998710E+00
 107   -0.611543E-03    0.198665E+02  0.100000E-04 0.100000E-04    0.725055E+00
 108   -0.946937E-03    0.164867E+02  0.100000E-04 0.100000E-04    0.834247E+00
 109    0.277760E-04    0.138974E+02 -0.199865E-05 0.100000E-04    0.923322E+00
 110   -0.114881E-01    0.122372E+02  0.100000E-04 0.100000E-04    0.410823E+00
 111    0.219245E-04    0.100914E+02 -0.217258E-05 0.100000E-04    0.962314E+00
 112    0.343700E-01    0.888587E+01 -0.185598E-04 0.185598E-04    0.414734E+00
 113   -0.842997E-01    0.574243E+01  0.119760E-03 0.119760E-03    0.214784E+00
 114   -0.911795E+00    0.320936E+01 -0.753169E-04 0.753169E-04    0.505628E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1197601493E-03    0.2642641790    

 Beginning of optimization cycle  518.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3004113156
 potential> RMS force:                                               0.0858446808   |gradient|=.9165703747    
 Eigenvalues of the Hessian matrix:
   746.21487    674.25264    630.41587    600.93162    586.47770    578.85123 
   565.32827    487.43759    460.76451    459.87186    441.72626    429.17229 
   421.99549    408.13609    396.40928    387.63250    369.95887    360.53236 
   349.40311    335.26125    329.18788    321.88116    319.02154    309.58309 
   300.88362    290.53853    278.80021    272.66145    268.47468    264.91070 
   263.69689    253.25099    241.50709    240.73223    233.90823    227.48890 
   217.04324    214.88492    213.26650    207.60999    203.03809    195.54248 
   194.80921    191.33721    182.89786    174.26208    172.30403    168.18766 
   163.28411    156.90536    154.87027    152.26960    146.73676    143.40201 
   138.02908    135.87213    130.32937    128.80831    126.86994    124.20418 
   119.98961    118.16587    116.90161    110.34428    106.87502    104.41090 
   102.83883     99.54814     96.10627     94.13513     92.02984     91.18819 
    88.47580     85.57188     80.82281     80.43722     77.96899     73.31489 
    72.62614     67.95382     64.80751     61.41441     59.86367     59.39587 
    58.16020     55.88001     52.46941     52.06756     50.16947     46.24175 
    43.30753     40.89525     37.88290     36.26316     32.33126     28.86331 
    28.44979     26.28218     23.31679     21.31358     19.86531     16.48555 
    13.89766     12.23717     10.09138      8.89207      5.74210      3.20770 
overlap for current and previous eigenvector    109 is         0.9999997714
overlap for current and previous eigenvector    110 is        -0.9999999610
overlap for current and previous eigenvector    111 is        -0.9999995215
overlap for current and previous eigenvector    112 is        -0.9999989751
overlap for current and previous eigenvector    113 is        -0.9999984314
overlap for current and previous eigenvector    114 is        -0.9999989755
J1,K1,R1,R2,RAT=   7   7    0.1154537932         1.884479333        0.8844793327    
FOB,PFOB,DIAG,PSTEP=   -0.1519145466E-05   -0.1717436675E-05     746.2148677        0.2301607992E-08
J1,K1,R1,R2,RAT=   8   8    0.1003888798         1.899635639        0.8996111202    
FOB,PFOB,DIAG,PSTEP=   -0.2626676210E-05   -0.2919786737E-05     674.2526352        0.4330351549E-08
J1,K1,R1,R2,RAT=   9   9    0.1078728618         1.892085611        0.8920856114    
FOB,PFOB,DIAG,PSTEP=   -0.3576883848E-05   -0.4009398072E-05     630.4158669        0.6360057754E-08
J1,K1,R1,R2,RAT=  10  10    0.1114901576         1.888537933        0.8885098424    
FOB,PFOB,DIAG,PSTEP=   -0.2494085281E-06   -0.2807037994E-06     600.9316249        0.4671078126E-09
J1,K1,R1,R2,RAT=  11  11    0.7547003065E-01     1.924547464        0.9245299694    
FOB,PFOB,DIAG,PSTEP=   -0.2073105980E-06   -0.2242333476E-06     586.4776961        0.3823357437E-09
J1,K1,R1,R2,RAT= 109 109    0.1208854087         1.879076532        0.8790765322    
FOB,PFOB,DIAG,PSTEP=    0.2441823486E-04    0.2777601350E-04     13.89765516       -0.1998649539E-05
J1,K1,R1,R2,RAT= 110 110     186.3874474         1.369153407        0.3691534072    
FOB,PFOB,DIAG,PSTEP=    0.1132050461E-01   -0.1148805029E-01     12.23717328        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.944018839        0.5599412868E-01    0.9440058713    
FOB,PFOB,DIAG,PSTEP=   -0.2069681928E-04    0.2192445191E-04     10.09137661       -0.2172578688E-05
J1,K1,R1,R2,RAT= 112 112     417.0963175       -0.5789239304        0.4210760696    
FOB,PFOB,DIAG,PSTEP=   -0.3446554729E-01    0.3437000449E-01     8.892073694       -0.1855980415E-04
J1,K1,R1,R2,RAT= 113 113     245.9731420       -0.7998230531        0.2001769469    
FOB,PFOB,DIAG,PSTEP=    0.8484975125E-01   -0.8429973324E-01     5.742098801        0.1197601493E-03
J1,K1,R1,R2,RAT= 114 114    -7548.647608        0.4870160428        0.5129839572    
FOB,PFOB,DIAG,PSTEP=    0.9119126120       -0.9117949518         3.207699798       -0.7531688168E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00001      0.00000      0.00001     -0.00001     -0.00001 
     0.00001      0.00001     -0.00000     -0.00000      0.00000     -0.00000 
     0.00001      0.00001     -0.00000      0.00001     -0.00000     -0.00000 
    -0.00000      0.00001      0.00001     -0.00000      0.00000      0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001      0.00000     -0.00000 
     0.00001     -0.00000      0.00000      0.00001     -0.00001      0.00001 
     0.00001      0.00002     -0.00002     -0.00001      0.00001     -0.00001 
    -0.00002      0.00000     -0.00000      0.00000      0.00006      0.00001 
     0.00001      0.00001      0.00002      0.00001      0.00055     -0.00091 
     0.00002      0.01132     -0.00002     -0.03447      0.08485      0.91191 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3848610674
 Log product of positive Hessian eigenvalues =          519.0700479939
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2076997984
 Unscaled step for mode    7=        0.0000000020
 Unscaled step for mode    8=        0.0000000039
 Unscaled step for mode    9=        0.0000000057
 Unscaled step for mode   10=        0.0000000004
 Unscaled step for mode   11=        0.0000000004
 Unscaled step for mode   12=        0.0000000096
 Unscaled step for mode   13=        0.0000000010
 Unscaled step for mode   14=       -0.0000000061
 Unscaled step for mode   15=        0.0000000027
 Unscaled step for mode   16=        0.0000000013
 Unscaled step for mode   17=        0.0000000066
 Unscaled step for mode   18=        0.0000000029
 Unscaled step for mode   19=        0.0000000046
 Unscaled step for mode   20=        0.0000000037
 Unscaled step for mode   21=        0.0000000040
 Unscaled step for mode   22=        0.0000000092
 Unscaled step for mode   23=       -0.0000000112
 Unscaled step for mode   24=        0.0000000061
 Unscaled step for mode   25=        0.0000000081
 Unscaled step for mode   26=        0.0000000071
 Unscaled step for mode   27=       -0.0000000014
 Unscaled step for mode   28=        0.0000000040
 Unscaled step for mode   29=        0.0000000048
 Unscaled step for mode   30=        0.0000000307
 Unscaled step for mode   31=        0.0000000263
 Unscaled step for mode   32=        0.0000000244
 Unscaled step for mode   33=       -0.0000000008
 Unscaled step for mode   34=        0.0000000044
 Unscaled step for mode   35=       -0.0000000255
 Unscaled step for mode   36=       -0.0000000346
 Unscaled step for mode   37=        0.0000000033
 Unscaled step for mode   38=       -0.0000000035
 Unscaled step for mode   39=        0.0000000122
 Unscaled step for mode   40=        0.0000000360
 Unscaled step for mode   41=        0.0000000355
 Unscaled step for mode   42=        0.0000000467
 Unscaled step for mode   43=        0.0000000077
 Unscaled step for mode   44=        0.0000000630
 Unscaled step for mode   45=       -0.0000000216
 Unscaled step for mode   46=       -0.0000000392
 Unscaled step for mode   47=        0.0000000289
 Unscaled step for mode   48=        0.0000000265
 Unscaled step for mode   49=       -0.0000000407
 Unscaled step for mode   50=       -0.0000000441
 Unscaled step for mode   51=        0.0000000037
 Unscaled step for mode   52=        0.0000000102
 Unscaled step for mode   53=       -0.0000000116
 Unscaled step for mode   54=        0.0000000250
 Unscaled step for mode   55=       -0.0000000408
 Unscaled step for mode   56=       -0.0000000359
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000469
 Unscaled step for mode   59=        0.0000000179
 Unscaled step for mode   60=        0.0000000142
 Unscaled step for mode   61=        0.0000000205
 Unscaled step for mode   62=       -0.0000000403
 Unscaled step for mode   63=       -0.0000000852
 Unscaled step for mode   64=        0.0000000176
 Unscaled step for mode   65=       -0.0000000388
 Unscaled step for mode   66=       -0.0000000280
 Unscaled step for mode   67=        0.0000000909
 Unscaled step for mode   68=        0.0000000080
 Unscaled step for mode   69=        0.0000000070
 Unscaled step for mode   70=        0.0000000995
 Unscaled step for mode   71=       -0.0000000292
 Unscaled step for mode   72=        0.0000000903
 Unscaled step for mode   73=        0.0000000071
 Unscaled step for mode   74=        0.0000000231
 Unscaled step for mode   75=       -0.0000000635
 Unscaled step for mode   76=       -0.0000000294
 Unscaled step for mode   77=       -0.0000001360
 Unscaled step for mode   78=        0.0000000107
 Unscaled step for mode   79=        0.0000000289
 Unscaled step for mode   80=        0.0000000514
 Unscaled step for mode   81=        0.0000001115
 Unscaled step for mode   82=       -0.0000001026
 Unscaled step for mode   83=       -0.0000000301
 Unscaled step for mode   84=        0.0000000050
 Unscaled step for mode   85=       -0.0000001596
 Unscaled step for mode   86=        0.0000000061
 Unscaled step for mode   87=       -0.0000000360
 Unscaled step for mode   88=       -0.0000001142
 Unscaled step for mode   89=        0.0000002152
 Unscaled step for mode   90=       -0.0000001767
 Unscaled step for mode   91=       -0.0000001741
 Unscaled step for mode   92=       -0.0000004255
 Unscaled step for mode   93=        0.0000003622
 Unscaled step for mode   94=        0.0000001312
 Unscaled step for mode   95=       -0.0000002473
 Unscaled step for mode   96=        0.0000001392
 Unscaled step for mode   97=        0.0000003603
 Unscaled step for mode   98=       -0.0000000838
 Unscaled step for mode   99=        0.0000001137
 Unscaled step for mode  100=       -0.0000000173
 Unscaled step for mode  101=       -0.0000018433
 Unscaled step for mode  102=       -0.0000002537
 Unscaled step for mode  103=       -0.0000004630
 Unscaled step for mode  104=       -0.0000002815
 Unscaled step for mode  105=       -0.0000008553
 Unscaled step for mode  106=       -0.0000006644
 Unscaled step for mode  107=       -0.0000274559
 Unscaled step for mode  108=        0.0000550841
 Unscaled step for mode  109=       -0.0000017570
 Unscaled step for mode  110=       -0.0009250907
 Unscaled step for mode  111=        0.0000020509
 Unscaled step for mode  112=        0.0038759271
 Unscaled step for mode  113=       -0.0147735584
 Unscaled step for mode  114=        0.2644128409
 Largest modulus ratio of non-zero e/values=           232.6323891    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.311058E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.259553E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.380484E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.180845E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.441487E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.227058E-14    0.974258E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.151915E-05    0.746215E+03  0.203580E-08 0.100000E-04    0.884479E+00
   8   -0.262668E-05    0.674253E+03  0.389569E-08 0.100000E-04    0.899611E+00
   9   -0.357688E-05    0.630416E+03  0.567385E-08 0.100000E-04    0.892086E+00
  10   -0.249409E-06    0.600932E+03  0.415036E-09 0.100000E-04    0.888510E+00
  11   -0.207311E-06    0.586478E+03  0.353484E-09 0.100000E-04    0.924530E+00
  12   -0.556637E-05    0.578851E+03  0.961624E-08 0.100000E-04    0.894306E+00
  13   -0.585027E-06    0.565328E+03  0.103484E-08 0.100000E-04    0.892742E+00
  14    0.298613E-05    0.487438E+03 -0.612619E-08 0.100000E-04    0.899765E+00
  15   -0.123705E-05    0.460765E+03  0.268479E-08 0.100000E-04    0.888731E+00
  16   -0.589894E-06    0.459872E+03  0.128274E-08 0.100000E-04    0.895753E+00
  17   -0.291726E-05    0.441726E+03  0.660423E-08 0.100000E-04    0.889710E+00
  18   -0.123948E-05    0.429172E+03  0.288808E-08 0.100000E-04    0.896811E+00
  19   -0.194122E-05    0.421995E+03  0.460009E-08 0.100000E-04    0.887394E+00
  20   -0.150481E-05    0.408136E+03  0.368703E-08 0.100000E-04    0.913572E+00
  21   -0.157798E-05    0.396409E+03  0.398069E-08 0.100000E-04    0.888173E+00
  22   -0.357687E-05    0.387633E+03  0.922749E-08 0.100000E-04    0.900967E+00
  23    0.413157E-05    0.369959E+03 -0.111676E-07 0.100000E-04    0.894125E+00
  24   -0.220753E-05    0.360532E+03  0.612297E-08 0.100000E-04    0.882788E+00
  25   -0.281720E-05    0.349403E+03  0.806289E-08 0.100000E-04    0.905175E+00
  26   -0.239217E-05    0.335261E+03  0.713523E-08 0.100000E-04    0.864367E+00
  27    0.476762E-06    0.329188E+03 -0.144830E-08 0.100000E-04    0.967992E+00
  28   -0.129591E-05    0.321881E+03  0.402606E-08 0.100000E-04    0.899838E+00
  29   -0.152650E-05    0.319022E+03  0.478493E-08 0.100000E-04    0.849711E+00
  30   -0.949656E-05    0.309583E+03  0.306753E-07 0.100000E-04    0.914248E+00
  31   -0.792130E-05    0.300884E+03  0.263268E-07 0.100000E-04    0.899848E+00
  32   -0.707791E-05    0.290539E+03  0.243613E-07 0.100000E-04    0.909484E+00
  33    0.226143E-06    0.278800E+03 -0.811130E-09 0.100000E-04    0.826271E+00
  34   -0.118794E-05    0.272661E+03  0.435682E-08 0.100000E-04    0.858155E+00
  35    0.684389E-05    0.268475E+03 -0.254917E-07 0.100000E-04    0.900776E+00
  36    0.916355E-05    0.264911E+03 -0.345911E-07 0.100000E-04    0.908486E+00
  37   -0.867928E-06    0.263697E+03  0.329139E-08 0.100000E-04    0.907471E+00
  38    0.877334E-06    0.253251E+03 -0.346429E-08 0.100000E-04    0.844541E+00
  39   -0.293765E-05    0.241507E+03  0.121638E-07 0.100000E-04    0.898975E+00
  40   -0.867473E-05    0.240732E+03  0.360348E-07 0.100000E-04    0.902734E+00
  41   -0.830249E-05    0.233908E+03  0.354946E-07 0.100000E-04    0.893188E+00
  42   -0.106161E-04    0.227489E+03  0.466663E-07 0.100000E-04    0.907227E+00
  43   -0.166486E-05    0.217043E+03  0.767064E-08 0.100000E-04    0.885888E+00
  44   -0.135329E-04    0.214885E+03  0.629774E-07 0.100000E-04    0.899511E+00
  45    0.461097E-05    0.213266E+03 -0.216207E-07 0.100000E-04    0.905846E+00
  46    0.813787E-05    0.207610E+03 -0.391979E-07 0.100000E-04    0.896552E+00
  47   -0.587687E-05    0.203038E+03  0.289447E-07 0.100000E-04    0.901455E+00
  48   -0.518876E-05    0.195542E+03  0.265352E-07 0.100000E-04    0.899039E+00
  49    0.792174E-05    0.194809E+03 -0.406641E-07 0.100000E-04    0.900468E+00
  50    0.843872E-05    0.191337E+03 -0.441039E-07 0.100000E-04    0.908243E+00
  51   -0.673080E-06    0.182898E+03  0.368009E-08 0.100000E-04    0.855961E+00
  52   -0.178342E-05    0.174262E+03  0.102341E-07 0.100000E-04    0.920407E+00
  53    0.200057E-05    0.172304E+03 -0.116107E-07 0.100000E-04    0.912996E+00
  54   -0.421171E-05    0.168188E+03  0.250417E-07 0.100000E-04    0.899868E+00
  55    0.666225E-05    0.163284E+03 -0.408016E-07 0.100000E-04    0.914834E+00
  56    0.563297E-05    0.156905E+03 -0.359004E-07 0.100000E-04    0.900394E+00
  57   -0.356345E-06    0.154870E+03  0.230092E-08 0.100000E-04    0.999126E+00
  58    0.714248E-05    0.152270E+03 -0.469068E-07 0.100000E-04    0.912508E+00
  59   -0.263260E-05    0.146737E+03  0.179410E-07 0.100000E-04    0.895161E+00
  60   -0.204158E-05    0.143402E+03  0.142368E-07 0.100000E-04    0.928187E+00
  61   -0.283620E-05    0.138029E+03  0.205479E-07 0.100000E-04    0.919242E+00
  62    0.547973E-05    0.135872E+03 -0.403300E-07 0.100000E-04    0.895350E+00
  63    0.110982E-04    0.130329E+03 -0.851553E-07 0.100000E-04    0.913848E+00
  64   -0.226876E-05    0.128808E+03  0.176135E-07 0.100000E-04    0.850480E+00
  65    0.492422E-05    0.126870E+03 -0.388132E-07 0.100000E-04    0.898857E+00
  66    0.348343E-05    0.124204E+03 -0.280460E-07 0.100000E-04    0.904138E+00
  67   -0.109071E-04    0.119990E+03  0.909006E-07 0.100000E-04    0.907428E+00
  68   -0.943254E-06    0.118166E+03  0.798245E-08 0.100000E-04    0.877330E+00
  69   -0.812517E-06    0.116902E+03  0.695043E-08 0.100000E-04    0.971107E+00
  70   -0.109759E-04    0.110344E+03  0.994700E-07 0.100000E-04    0.902398E+00
  71    0.311898E-05    0.106875E+03 -0.291834E-07 0.100000E-04    0.896828E+00
  72   -0.943257E-05    0.104411E+03  0.903409E-07 0.100000E-04    0.886779E+00
  73   -0.732904E-06    0.102839E+03  0.712673E-08 0.100000E-04    0.889424E+00
  74   -0.230323E-05    0.995481E+02  0.231369E-07 0.100000E-04    0.968188E+00
  75    0.609895E-05    0.961063E+02 -0.634605E-07 0.100000E-04    0.891520E+00
  76    0.277138E-05    0.941351E+02 -0.294404E-07 0.100000E-04    0.913083E+00
  77    0.125127E-04    0.920298E+02 -0.135964E-06 0.100000E-04    0.918589E+00
  78   -0.972088E-06    0.911882E+02  0.106602E-07 0.100000E-04    0.936040E+00
  79   -0.255665E-05    0.884758E+02  0.288966E-07 0.100000E-04    0.900881E+00
  80   -0.439782E-05    0.855719E+02  0.513933E-07 0.100000E-04    0.892201E+00
  81   -0.900852E-05    0.808228E+02  0.111460E-06 0.100000E-04    0.906576E+00
  82    0.825510E-05    0.804372E+02 -0.102628E-06 0.100000E-04    0.899881E+00
  83    0.234388E-05    0.779690E+02 -0.300617E-07 0.100000E-04    0.893688E+00
  84   -0.369808E-06    0.733149E+02  0.504410E-08 0.100000E-04    0.841326E+00
  85    0.115933E-04    0.726261E+02 -0.159630E-06 0.100000E-04    0.909443E+00
  86   -0.415647E-06    0.679538E+02  0.611661E-08 0.100000E-04    0.734020E+00
  87    0.233615E-05    0.648075E+02 -0.360475E-07 0.100000E-04    0.997426E+00
  88    0.701160E-05    0.614144E+02 -0.114169E-06 0.100000E-04    0.923583E+00
  89   -0.128845E-04    0.598637E+02  0.215231E-06 0.100000E-04    0.903065E+00
  90    0.104924E-04    0.593959E+02 -0.176652E-06 0.100000E-04    0.886053E+00
  91    0.101283E-04    0.581602E+02 -0.174146E-06 0.100000E-04    0.941281E+00
  92    0.237779E-04    0.558800E+02 -0.425517E-06 0.100000E-04    0.907845E+00
  93   -0.190067E-04    0.524694E+02  0.362243E-06 0.100000E-04    0.912288E+00
  94   -0.683012E-05    0.520676E+02  0.131178E-06 0.100000E-04    0.900879E+00
  95    0.124087E-04    0.501695E+02 -0.247337E-06 0.100000E-04    0.909133E+00
  96   -0.643863E-05    0.462418E+02  0.139239E-06 0.100000E-04    0.958418E+00
  97   -0.156021E-04    0.433075E+02  0.360264E-06 0.100000E-04    0.901525E+00
  98    0.342558E-05    0.408953E+02 -0.837648E-07 0.100000E-04    0.969755E+00
  99   -0.430749E-05    0.378829E+02  0.113705E-06 0.100000E-04    0.959210E+00
 100    0.626833E-06    0.362632E+02 -0.172857E-07 0.100000E-04    0.799297E+00
 101    0.595951E-04    0.323313E+02 -0.184327E-05 0.100000E-04    0.921207E+00
 102    0.732138E-05    0.288633E+02 -0.253657E-06 0.100000E-04    0.885174E+00
 103    0.131713E-04    0.284498E+02 -0.462966E-06 0.100000E-04    0.877081E+00
 104    0.739807E-05    0.262822E+02 -0.281486E-06 0.100000E-04    0.788410E+00
 105    0.199427E-04    0.233168E+02 -0.855295E-06 0.100000E-04    0.930250E+00
 106    0.141612E-04    0.213136E+02 -0.664423E-06 0.100000E-04    0.904451E+00
 107    0.545420E-03    0.198653E+02 -0.100000E-04 0.100000E-04    0.667147E+00
 108   -0.908091E-03    0.164855E+02  0.100000E-04 0.100000E-04    0.764366E+00
 109    0.244182E-04    0.138977E+02 -0.175700E-05 0.100000E-04    0.879077E+00
 110    0.113205E-01    0.122372E+02 -0.100000E-04 0.100000E-04    0.369153E+00
 111   -0.206968E-04    0.100914E+02  0.205094E-05 0.100000E-04    0.944006E+00
 112   -0.344655E-01    0.889207E+01  0.167205E-04 0.167205E-04    0.421076E+00
 113    0.848498E-01    0.574210E+01 -0.107892E-03 0.107892E-03    0.200177E+00
 114    0.911913E+00    0.320770E+01  0.678530E-04 0.678530E-04    0.512984E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1078920264E-03    0.2644128409    

 Beginning of optimization cycle  519.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3003592538
 potential> RMS force:                                               0.0858589015   |gradient|=.9167222095    
 Eigenvalues of the Hessian matrix:
   746.23746    674.24521    630.42754    600.92403    586.47301    578.85648 
   565.31172    487.43785    460.75903    459.86761    441.72341    429.18008 
   421.99402    408.13006    396.40690    387.62807    369.96140    360.53315 
   349.40187    335.26440    329.19296    321.87955    319.02583    309.57732 
   300.88092    290.54102    278.80746    272.66533    268.47822    264.91273 
   263.70294    253.24947    241.50890    240.73579    233.91190    227.49101 
   217.04623    214.88496    213.26553    207.61256    203.03588    195.53811 
   194.81110    191.33823    182.90032    174.26582    172.30453    168.18989 
   163.28113    156.90320    154.87266    152.26957    146.73329    143.39982 
   138.03193    135.87194    130.32781    128.80958    126.87078    124.19846 
   119.99024    118.16597    116.89908    110.34485    106.87337    104.41156 
   102.83865     99.54694     96.10561     94.13363     92.02652     91.18993 
    88.47300     85.57341     80.82295     80.44020     77.96775     73.31391 
    72.62331     67.95139     64.80462     61.41111     59.86219     59.39555 
    58.15840     55.87875     52.46854     52.06552     50.17163     46.23867 
    43.30957     40.89582     37.88202     36.25982     32.32842     28.86450 
    28.44978     26.28265     23.31707     21.31386     19.86417     16.48452 
    13.89790     12.23718     10.09132      8.89764      5.74178      3.20619 
overlap for current and previous eigenvector    109 is         0.9999998149
overlap for current and previous eigenvector    110 is         0.9999999681
overlap for current and previous eigenvector    111 is         0.9999996053
overlap for current and previous eigenvector    112 is         0.9999991722
overlap for current and previous eigenvector    113 is         0.9999987225
overlap for current and previous eigenvector    114 is         0.9999991545
J1,K1,R1,R2,RAT=   7   7    0.1142306408         1.885708800        0.8857088005    
FOB,PFOB,DIAG,PSTEP=   -0.1345607251E-05   -0.1519145466E-05     746.2374632        0.2035801660E-08
J1,K1,R1,R2,RAT=   8   8    0.1006879975         1.899334041        0.8993120025    
FOB,PFOB,DIAG,PSTEP=   -0.2362204357E-05   -0.2626676210E-05     674.2452053        0.3895685495E-08
J1,K1,R1,R2,RAT=   9   9    0.1084113433         1.891551624        0.8915516238    
FOB,PFOB,DIAG,PSTEP=   -0.3189101885E-05   -0.3576883848E-05     630.4275402        0.5673848067E-08
J1,K1,R1,R2,RAT=  10  10    0.1188109479         1.881214322        0.8811890521    
FOB,PFOB,DIAG,PSTEP=   -0.2197764389E-06   -0.2494085281E-06     600.9240323        0.4150364497E-09
J1,K1,R1,R2,RAT=  11  11    0.9483814186E-01     1.905177842        0.9051618581    
FOB,PFOB,DIAG,PSTEP=   -0.1876498032E-06   -0.2073105980E-06     586.4730091        0.3534841979E-09
J1,K1,R1,R2,RAT= 109 109    0.1232834453         1.876681352        0.8766813522    
FOB,PFOB,DIAG,PSTEP=    0.2140781775E-04    0.2441823486E-04     13.89789978       -0.1757003939E-05
J1,K1,R1,R2,RAT= 110 110     1.331592334         183.6866245        0.3315923343    
FOB,PFOB,DIAG,PSTEP=    0.1115755528E-01    0.1132050461E-01     12.23717838       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.4371911609E-01     1.956291822        0.9562808839    
FOB,PFOB,DIAG,PSTEP=   -0.1979197759E-04   -0.2069681928E-04     10.09132142        0.2050941124E-05
J1,K1,R1,R2,RAT= 112 112   -0.5703763861         463.8996833        0.4296236139    
FOB,PFOB,DIAG,PSTEP=   -0.3455040414E-01   -0.3446554729E-01     8.897643336        0.1672054428E-04
J1,K1,R1,R2,RAT= 113 113   -0.8157859033         274.7489607        0.1842140967    
FOB,PFOB,DIAG,PSTEP=    0.8535512437E-01    0.8484975125E-01     5.741780528       -0.1078920264E-03
J1,K1,R1,R2,RAT= 114 114    0.4796264262        -8383.975233        0.5203735738    
FOB,PFOB,DIAG,PSTEP=    0.9120169545        0.9119126120         3.206186084        0.6785304655E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001      0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00001      0.00000      0.00001     -0.00001     -0.00000 
     0.00001      0.00001     -0.00000     -0.00000      0.00000     -0.00000 
     0.00001      0.00001     -0.00000      0.00001      0.00000      0.00000 
     0.00000     -0.00000     -0.00001      0.00000     -0.00000     -0.00000 
     0.00001     -0.00000     -0.00000      0.00001      0.00000     -0.00001 
    -0.00000     -0.00000      0.00001      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001      0.00000     -0.00000 
    -0.00001     -0.00000      0.00000      0.00001     -0.00001      0.00001 
     0.00001      0.00002     -0.00002     -0.00001      0.00001      0.00001 
     0.00001     -0.00000      0.00000     -0.00000     -0.00005      0.00001 
    -0.00001      0.00001      0.00002      0.00001      0.00047     -0.00086 
     0.00002      0.01116     -0.00002     -0.03455      0.08536      0.91202 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3848095480
 Log product of positive Hessian eigenvalues =          519.0696424764
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2061860841
 Unscaled step for mode    7=        0.0000000018
 Unscaled step for mode    8=        0.0000000035
 Unscaled step for mode    9=        0.0000000051
 Unscaled step for mode   10=        0.0000000004
 Unscaled step for mode   11=        0.0000000003
 Unscaled step for mode   12=        0.0000000086
 Unscaled step for mode   13=        0.0000000009
 Unscaled step for mode   14=       -0.0000000055
 Unscaled step for mode   15=        0.0000000024
 Unscaled step for mode   16=        0.0000000012
 Unscaled step for mode   17=        0.0000000059
 Unscaled step for mode   18=        0.0000000026
 Unscaled step for mode   19=        0.0000000041
 Unscaled step for mode   20=        0.0000000034
 Unscaled step for mode   21=        0.0000000035
 Unscaled step for mode   22=        0.0000000083
 Unscaled step for mode   23=       -0.0000000100
 Unscaled step for mode   24=        0.0000000054
 Unscaled step for mode   25=        0.0000000073
 Unscaled step for mode   26=        0.0000000061
 Unscaled step for mode   27=       -0.0000000015
 Unscaled step for mode   28=        0.0000000036
 Unscaled step for mode   29=        0.0000000040
 Unscaled step for mode   30=        0.0000000281
 Unscaled step for mode   31=        0.0000000237
 Unscaled step for mode   32=        0.0000000222
 Unscaled step for mode   33=       -0.0000000007
 Unscaled step for mode   34=        0.0000000037
 Unscaled step for mode   35=       -0.0000000230
 Unscaled step for mode   36=       -0.0000000314
 Unscaled step for mode   37=        0.0000000029
 Unscaled step for mode   38=       -0.0000000029
 Unscaled step for mode   39=        0.0000000109
 Unscaled step for mode   40=        0.0000000326
 Unscaled step for mode   41=        0.0000000317
 Unscaled step for mode   42=        0.0000000424
 Unscaled step for mode   43=        0.0000000068
 Unscaled step for mode   44=        0.0000000567
 Unscaled step for mode   45=       -0.0000000196
 Unscaled step for mode   46=       -0.0000000351
 Unscaled step for mode   47=        0.0000000261
 Unscaled step for mode   48=        0.0000000238
 Unscaled step for mode   49=       -0.0000000366
 Unscaled step for mode   50=       -0.0000000401
 Unscaled step for mode   51=        0.0000000031
 Unscaled step for mode   52=        0.0000000094
 Unscaled step for mode   53=       -0.0000000107
 Unscaled step for mode   54=        0.0000000225
 Unscaled step for mode   55=       -0.0000000374
 Unscaled step for mode   56=       -0.0000000323
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000429
 Unscaled step for mode   59=       -0.0000000160
 Unscaled step for mode   60=       -0.0000000133
 Unscaled step for mode   61=       -0.0000000189
 Unscaled step for mode   62=        0.0000000361
 Unscaled step for mode   63=        0.0000000779
 Unscaled step for mode   64=       -0.0000000149
 Unscaled step for mode   65=        0.0000000348
 Unscaled step for mode   66=        0.0000000253
 Unscaled step for mode   67=       -0.0000000825
 Unscaled step for mode   68=        0.0000000069
 Unscaled step for mode   69=        0.0000000071
 Unscaled step for mode   70=       -0.0000000898
 Unscaled step for mode   71=       -0.0000000262
 Unscaled step for mode   72=        0.0000000800
 Unscaled step for mode   73=        0.0000000063
 Unscaled step for mode   74=        0.0000000225
 Unscaled step for mode   75=       -0.0000000565
 Unscaled step for mode   76=       -0.0000000269
 Unscaled step for mode   77=        0.0000001251
 Unscaled step for mode   78=       -0.0000000100
 Unscaled step for mode   79=        0.0000000260
 Unscaled step for mode   80=        0.0000000459
 Unscaled step for mode   81=        0.0000001010
 Unscaled step for mode   82=       -0.0000000924
 Unscaled step for mode   83=       -0.0000000268
 Unscaled step for mode   84=        0.0000000042
 Unscaled step for mode   85=        0.0000001452
 Unscaled step for mode   86=        0.0000000042
 Unscaled step for mode   87=       -0.0000000357
 Unscaled step for mode   88=       -0.0000001058
 Unscaled step for mode   89=        0.0000001944
 Unscaled step for mode   90=       -0.0000001558
 Unscaled step for mode   91=       -0.0000001642
 Unscaled step for mode   92=       -0.0000003865
 Unscaled step for mode   93=        0.0000003306
 Unscaled step for mode   94=        0.0000001185
 Unscaled step for mode   95=       -0.0000002248
 Unscaled step for mode   96=       -0.0000001340
 Unscaled step for mode   97=       -0.0000003248
 Unscaled step for mode   98=        0.0000000812
 Unscaled step for mode   99=       -0.0000001090
 Unscaled step for mode  100=        0.0000000132
 Unscaled step for mode  101=        0.0000016998
 Unscaled step for mode  102=       -0.0000002244
 Unscaled step for mode  103=        0.0000004035
 Unscaled step for mode  104=       -0.0000002152
 Unscaled step for mode  105=       -0.0000007978
 Unscaled step for mode  106=       -0.0000006047
 Unscaled step for mode  107=       -0.0000236044
 Unscaled step for mode  108=        0.0000520940
 Unscaled step for mode  109=       -0.0000015404
 Unscaled step for mode  110=       -0.0009117744
 Unscaled step for mode  111=        0.0000019613
 Unscaled step for mode  112=        0.0038830376
 Unscaled step for mode  113=       -0.0148623358
 Unscaled step for mode  114=        0.2645476595
 Largest modulus ratio of non-zero e/values=           232.7492677    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.593059E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.269310E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.511256E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.957567E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.872987E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.213307E-14    0.974259E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.134561E-05    0.746237E+03  0.180319E-08 0.100000E-04    0.885709E+00
   8   -0.236220E-05    0.674245E+03  0.350348E-08 0.100000E-04    0.899312E+00
   9   -0.318910E-05    0.630428E+03  0.505863E-08 0.100000E-04    0.891552E+00
  10   -0.219776E-06    0.600924E+03  0.365731E-09 0.100000E-04    0.881189E+00
  11   -0.187650E-06    0.586473E+03  0.319963E-09 0.100000E-04    0.905162E+00
  12   -0.497566E-05    0.578856E+03  0.859567E-08 0.100000E-04    0.893861E+00
  13   -0.522223E-06    0.565312E+03  0.923779E-09 0.100000E-04    0.892646E+00
  14    0.268723E-05    0.487438E+03 -0.551297E-08 0.100000E-04    0.899901E+00
  15   -0.109723E-05    0.460759E+03  0.238136E-08 0.100000E-04    0.886971E+00
  16   -0.529779E-06    0.459868E+03  0.115202E-08 0.100000E-04    0.898090E+00
  17   -0.260157E-05    0.441723E+03  0.588959E-08 0.100000E-04    0.891784E+00
  18   -0.110709E-05    0.429180E+03  0.257954E-08 0.100000E-04    0.893150E+00
  19   -0.172432E-05    0.421994E+03  0.408612E-08 0.100000E-04    0.888266E+00
  20   -0.137722E-05    0.408130E+03  0.337446E-08 0.100000E-04    0.915212E+00
  21   -0.139879E-05    0.396407E+03  0.352867E-08 0.100000E-04    0.886441E+00
  22   -0.322173E-05    0.387628E+03  0.831138E-08 0.100000E-04    0.900709E+00
  23    0.369217E-05    0.369961E+03 -0.997987E-08 0.100000E-04    0.893635E+00
  24   -0.194990E-05    0.360533E+03  0.540839E-08 0.100000E-04    0.883293E+00
  25   -0.255626E-05    0.349402E+03  0.731612E-08 0.100000E-04    0.907378E+00
  26   -0.206051E-05    0.335264E+03  0.614592E-08 0.100000E-04    0.861340E+00
  27    0.495800E-06    0.329193E+03 -0.150611E-08 0.100000E-04    0.960069E+00
  28   -0.116654E-05    0.321880E+03  0.362416E-08 0.100000E-04    0.900171E+00
  29   -0.128984E-05    0.319026E+03  0.404307E-08 0.100000E-04    0.844946E+00
  30   -0.869049E-05    0.309577E+03  0.280721E-07 0.100000E-04    0.915119E+00
  31   -0.713226E-05    0.300881E+03  0.237046E-07 0.100000E-04    0.900389E+00
  32   -0.644264E-05    0.290541E+03  0.221746E-07 0.100000E-04    0.910230E+00
  33    0.189312E-06    0.278807E+03 -0.679008E-09 0.100000E-04    0.837088E+00
  34   -0.101539E-05    0.272665E+03  0.372394E-08 0.100000E-04    0.854724E+00
  35    0.616393E-05    0.268478E+03 -0.229588E-07 0.100000E-04    0.900623E+00
  36    0.832190E-05    0.264913E+03 -0.314137E-07 0.100000E-04    0.908137E+00
  37   -0.776919E-06    0.263703E+03  0.294619E-08 0.100000E-04    0.895098E+00
  38    0.733942E-06    0.253249E+03 -0.289810E-08 0.100000E-04    0.836558E+00
  39   -0.263526E-05    0.241509E+03  0.109117E-07 0.100000E-04    0.897051E+00
  40   -0.783858E-05    0.240736E+03  0.325609E-07 0.100000E-04    0.903583E+00
  41   -0.741147E-05    0.233912E+03  0.316849E-07 0.100000E-04    0.892651E+00
  42   -0.963786E-05    0.227491E+03  0.423659E-07 0.100000E-04    0.907840E+00
  43   -0.146989E-05    0.217046E+03  0.677225E-08 0.100000E-04    0.882866E+00
  44   -0.121747E-04    0.214885E+03  0.566569E-07 0.100000E-04    0.899639E+00
  45    0.418357E-05    0.213266E+03 -0.196167E-07 0.100000E-04    0.907307E+00
  46    0.729206E-05    0.207613E+03 -0.351234E-07 0.100000E-04    0.896042E+00
  47   -0.530202E-05    0.203036E+03  0.261137E-07 0.100000E-04    0.902182E+00
  48   -0.465275E-05    0.195538E+03  0.237946E-07 0.100000E-04    0.896695E+00
  49    0.713216E-05    0.194811E+03 -0.366106E-07 0.100000E-04    0.900309E+00
  50    0.766874E-05    0.191338E+03 -0.400795E-07 0.100000E-04    0.908746E+00
  51   -0.572509E-06    0.182900E+03  0.313017E-08 0.100000E-04    0.850556E+00
  52   -0.163600E-05    0.174266E+03  0.938797E-08 0.100000E-04    0.917297E+00
  53    0.183800E-05    0.172305E+03 -0.106672E-07 0.100000E-04    0.918732E+00
  54   -0.378743E-05    0.168190E+03  0.225188E-07 0.100000E-04    0.899237E+00
  55    0.610755E-05    0.163281E+03 -0.374051E-07 0.100000E-04    0.916738E+00
  56    0.506781E-05    0.156903E+03 -0.322989E-07 0.100000E-04    0.899667E+00
  57   -0.353735E-06    0.154873E+03  0.228404E-08 0.100000E-04    0.992647E+00
  58    0.653233E-05    0.152270E+03 -0.428998E-07 0.100000E-04    0.914575E+00
  59    0.235457E-05    0.146733E+03 -0.160466E-07 0.100000E-04    0.894386E+00
  60    0.190440E-05    0.143400E+03 -0.132803E-07 0.100000E-04    0.932805E+00
  61    0.260244E-05    0.138032E+03 -0.188539E-07 0.100000E-04    0.917539E+00
  62   -0.490503E-05    0.135872E+03  0.361004E-07 0.100000E-04    0.895124E+00
  63   -0.101488E-04    0.130328E+03  0.778716E-07 0.100000E-04    0.914453E+00
  64    0.192124E-05    0.128810E+03 -0.149153E-07 0.100000E-04    0.846803E+00
  65   -0.441476E-05    0.126871E+03  0.347973E-07 0.100000E-04    0.896526E+00
  66   -0.314336E-05    0.124198E+03  0.253092E-07 0.100000E-04    0.902370E+00
  67    0.990057E-05    0.119990E+03 -0.825114E-07 0.100000E-04    0.907705E+00
  68   -0.821068E-06    0.118166E+03  0.694843E-08 0.100000E-04    0.870462E+00
  69   -0.832812E-06    0.116899E+03  0.712420E-08 0.100000E-04    0.975021E+00
  70    0.990981E-05    0.110345E+03 -0.898076E-07 0.100000E-04    0.902856E+00
  71    0.279650E-05    0.106873E+03 -0.261664E-07 0.100000E-04    0.896605E+00
  72   -0.835249E-05    0.104412E+03  0.799959E-07 0.100000E-04    0.885483E+00
  73   -0.647356E-06    0.102839E+03  0.629487E-08 0.100000E-04    0.883275E+00
  74   -0.223655E-05    0.995469E+02  0.224673E-07 0.100000E-04    0.971048E+00
  75    0.543411E-05    0.961056E+02 -0.565431E-07 0.100000E-04    0.890990E+00
  76    0.253197E-05    0.941336E+02 -0.268976E-07 0.100000E-04    0.913614E+00
  77   -0.115133E-04    0.920265E+02  0.125108E-06 0.100000E-04    0.920124E+00
  78    0.907475E-06    0.911899E+02 -0.995148E-08 0.100000E-04    0.933495E+00
  79   -0.229853E-05    0.884730E+02  0.259800E-07 0.100000E-04    0.899038E+00
  80   -0.392709E-05    0.855734E+02  0.458915E-07 0.100000E-04    0.892930E+00
  81   -0.816459E-05    0.808229E+02  0.101018E-06 0.100000E-04    0.906315E+00
  82    0.742979E-05    0.804402E+02 -0.923641E-07 0.100000E-04    0.899953E+00
  83    0.208774E-05    0.779677E+02 -0.267770E-07 0.100000E-04    0.890718E+00
  84   -0.306866E-06    0.733139E+02  0.418565E-08 0.100000E-04    0.829798E+00
  85   -0.105452E-04    0.726233E+02  0.145204E-06 0.100000E-04    0.909594E+00
  86   -0.282826E-06    0.679514E+02  0.416218E-08 0.100000E-04    0.680435E+00
  87    0.231141E-05    0.648046E+02 -0.356673E-07 0.100000E-04    0.989409E+00
  88    0.649688E-05    0.614111E+02 -0.105793E-06 0.100000E-04    0.926586E+00
  89   -0.116367E-04    0.598622E+02  0.194391E-06 0.100000E-04    0.903148E+00
  90    0.925642E-05    0.593955E+02 -0.155844E-06 0.100000E-04    0.882200E+00
  91    0.954858E-05    0.581584E+02 -0.164182E-06 0.100000E-04    0.942757E+00
  92    0.215982E-04    0.558787E+02 -0.386519E-06 0.100000E-04    0.908329E+00
  93   -0.173476E-04    0.524685E+02  0.330629E-06 0.100000E-04    0.912710E+00
  94   -0.617231E-05    0.520655E+02  0.118549E-06 0.100000E-04    0.903686E+00
  95    0.112785E-04    0.501716E+02 -0.224799E-06 0.100000E-04    0.908836E+00
  96    0.619818E-05    0.462387E+02 -0.134048E-06 0.100000E-04    0.962652E+00
  97    0.140680E-04    0.433096E+02 -0.324823E-06 0.100000E-04    0.901580E+00
  98   -0.332006E-05    0.408958E+02  0.811835E-07 0.100000E-04    0.969169E+00
  99    0.412752E-05    0.378820E+02 -0.108957E-06 0.100000E-04    0.958219E+00
 100   -0.478124E-06    0.362598E+02  0.131861E-07 0.100000E-04    0.762739E+00
 101   -0.549528E-04    0.323284E+02  0.169983E-05 0.100000E-04    0.922094E+00
 102    0.647773E-05    0.288645E+02 -0.224418E-06 0.100000E-04    0.884691E+00
 103   -0.114801E-04    0.284498E+02  0.403521E-06 0.100000E-04    0.871601E+00
 104    0.565604E-05    0.262826E+02 -0.215201E-06 0.100000E-04    0.764498E+00
 105    0.186014E-04    0.233171E+02 -0.797759E-06 0.100000E-04    0.932718E+00
 106    0.128889E-04    0.213139E+02 -0.604721E-06 0.100000E-04    0.910131E+00
 107    0.468883E-03    0.198642E+02 -0.100000E-04 0.100000E-04    0.614695E+00
 108   -0.858745E-03    0.164845E+02  0.100000E-04 0.100000E-04    0.700647E+00
 109    0.214078E-04    0.138979E+02 -0.154036E-05 0.100000E-04    0.876681E+00
 110    0.111576E-01    0.122372E+02 -0.100000E-04 0.100000E-04    0.331592E+00
 111   -0.197920E-04    0.100913E+02  0.196129E-05 0.100000E-04    0.956281E+00
 112   -0.345504E-01    0.889764E+01  0.150636E-04 0.150636E-04    0.429624E+00
 113    0.853551E-01    0.574178E+01 -0.117602E-03 0.117602E-03    0.184214E+00
 114    0.912017E+00    0.320619E+01  0.611289E-04 0.611289E-04    0.520374E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1176023088E-03    0.2645476595    

 Beginning of optimization cycle  520.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3003141375
 potential> RMS force:                                               0.0858706420   |gradient|=.9168475644    
 Eigenvalues of the Hessian matrix:
   746.25946    674.23668    630.43938    600.91705    586.46799    578.86144 
   565.29417    487.43713    460.75372    459.86345    441.72019    429.18878 
   421.99255    408.12367    396.40443    387.62372    369.96368    360.53419 
   349.40107    335.26778    329.19797    321.87756    319.03111    309.57155 
   300.87881    290.54339    278.81523    272.66918    268.48195    264.91479 
   263.70911    253.24827    241.51122    240.73932    233.91598    227.49366 
   217.04981    214.88495    213.26450    207.61522    203.03363    195.53382 
   194.81335    191.33932    182.90325    174.26979    172.30514    168.19223 
   163.27820    156.90120    154.87517    152.26940    146.72980    143.39740 
   138.03488    135.87178    130.32605    128.81090    126.87149    124.19248 
   119.99085    118.16602    116.89634    110.34553    106.87165    104.41216 
   102.83848     99.54569     96.10470     94.13196     92.02350     91.19178 
    88.47020     85.57504     80.82313     80.44338     77.96643     73.31264 
    72.62013     67.94870     64.80162     61.40800     59.86070     59.39511 
    58.15659     55.87731     52.46759     52.06330     50.17391     46.23554 
    43.31170     40.89630     37.88096     36.25600     32.32570     28.86571 
    28.44982     26.28330     23.31739     21.31395     19.86325     16.48350 
    13.89813     12.23717     10.09126      8.90357      5.74168      3.20472 
overlap for current and previous eigenvector    109 is         0.9999997902
overlap for current and previous eigenvector    110 is        -0.9999999607
overlap for current and previous eigenvector    111 is         0.9999995337
overlap for current and previous eigenvector    112 is         0.9999990393
overlap for current and previous eigenvector    113 is        -0.9999985717
overlap for current and previous eigenvector    114 is        -0.9999990547
J1,K1,R1,R2,RAT=   7   7    0.1190501243         1.880890927        0.8808909275    
FOB,PFOB,DIAG,PSTEP=   -0.1185407819E-05   -0.1345607251E-05     746.2594586        0.1803189089E-08
J1,K1,R1,R2,RAT=   8   8    0.2785094134E-01     1.972174344        0.9721490587    
FOB,PFOB,DIAG,PSTEP=   -0.2296415574E-05   -0.2362204357E-05     674.2366812        0.3503479652E-08
J1,K1,R1,R2,RAT=   9   9   -0.2656700595E-01     2.026529434        0.9734329941    
FOB,PFOB,DIAG,PSTEP=   -0.3273828365E-05   -0.3189101885E-05     630.4393836        0.5058633517E-08
J1,K1,R1,R2,RAT=  10  10   -0.8867484738         2.886771701        0.1132515262    
FOB,PFOB,DIAG,PSTEP=   -0.4146605974E-06   -0.2197764389E-06     600.9170536        0.3657308196E-09
J1,K1,R1,R2,RAT=  11  11    0.4774132655         1.522603868        0.5225867345    
FOB,PFOB,DIAG,PSTEP=   -0.9806406533E-07   -0.1876498032E-06     586.4679850        0.3199632384E-09
J1,K1,R1,R2,RAT= 109 109    0.2424664037E-01     1.975719981        0.9757199808    
FOB,PFOB,DIAG,PSTEP=    0.2088874143E-04    0.2140781775E-04     13.89813173       -0.1540363515E-05
J1,K1,R1,R2,RAT= 110 110     180.9376844         1.417508546        0.4175085459    
FOB,PFOB,DIAG,PSTEP=   -0.1098409239E-01    0.1115755528E-01     12.23716759       -0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1278010137         1.872210558        0.8721989863    
FOB,PFOB,DIAG,PSTEP=   -0.1726255742E-04   -0.1979197759E-04     10.09126304        0.1961287007E-05
J1,K1,R1,R2,RAT= 112 112   -0.8019426072         516.0202419        0.1980573928    
FOB,PFOB,DIAG,PSTEP=   -0.3465796026E-01   -0.3455040414E-01     8.903574893        0.1506355341E-04
J1,K1,R1,R2,RAT= 113 113     253.5785805       -0.7624982585        0.2375017415    
FOB,PFOB,DIAG,PSTEP=   -0.8586998982E-01    0.8535512437E-01     5.741680870       -0.1176023088E-03
J1,K1,R1,R2,RAT= 114 114    -9311.386964        0.3867814583        0.6132185417    
FOB,PFOB,DIAG,PSTEP=   -0.9120927253        0.9120169545         3.204720801        0.6112887077E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00001      0.00000      0.00001     -0.00001     -0.00001 
     0.00001      0.00001     -0.00000      0.00000      0.00000     -0.00000 
     0.00001      0.00001     -0.00000      0.00001     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00001     -0.00000     -0.00001     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001      0.00000      0.00001 
     0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001     -0.00001      0.00000     -0.00000 
    -0.00001      0.00000     -0.00000     -0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00002      0.00000      0.00001     -0.00001 
    -0.00002     -0.00000     -0.00001     -0.00000      0.00006     -0.00000 
     0.00001      0.00000      0.00002      0.00001     -0.00040     -0.00082 
     0.00002     -0.01098     -0.00002     -0.03466     -0.08587     -0.91209 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3847731081
 Log product of positive Hessian eigenvalues =          519.0693229784
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2047208012
 Unscaled step for mode    7=        0.0000000016
 Unscaled step for mode    8=        0.0000000034
 Unscaled step for mode    9=        0.0000000052
 Unscaled step for mode   10=        0.0000000007
 Unscaled step for mode   11=        0.0000000002
 Unscaled step for mode   12=        0.0000000087
 Unscaled step for mode   13=        0.0000000009
 Unscaled step for mode   14=       -0.0000000056
 Unscaled step for mode   15=        0.0000000027
 Unscaled step for mode   16=        0.0000000017
 Unscaled step for mode   17=        0.0000000066
 Unscaled step for mode   18=        0.0000000030
 Unscaled step for mode   19=        0.0000000029
 Unscaled step for mode   20=        0.0000000037
 Unscaled step for mode   21=        0.0000000040
 Unscaled step for mode   22=        0.0000000078
 Unscaled step for mode   23=       -0.0000000106
 Unscaled step for mode   24=        0.0000000051
 Unscaled step for mode   25=        0.0000000058
 Unscaled step for mode   26=        0.0000000037
 Unscaled step for mode   27=       -0.0000000029
 Unscaled step for mode   28=        0.0000000048
 Unscaled step for mode   29=        0.0000000011
 Unscaled step for mode   30=        0.0000000279
 Unscaled step for mode   31=        0.0000000231
 Unscaled step for mode   32=        0.0000000219
 Unscaled step for mode   33=        0.0000000011
 Unscaled step for mode   34=        0.0000000014
 Unscaled step for mode   35=       -0.0000000221
 Unscaled step for mode   36=       -0.0000000297
 Unscaled step for mode   37=        0.0000000046
 Unscaled step for mode   38=       -0.0000000024
 Unscaled step for mode   39=        0.0000000083
 Unscaled step for mode   40=        0.0000000301
 Unscaled step for mode   41=        0.0000000281
 Unscaled step for mode   42=        0.0000000420
 Unscaled step for mode   43=        0.0000000063
 Unscaled step for mode   44=        0.0000000543
 Unscaled step for mode   45=       -0.0000000179
 Unscaled step for mode   46=       -0.0000000323
 Unscaled step for mode   47=        0.0000000249
 Unscaled step for mode   48=        0.0000000264
 Unscaled step for mode   49=       -0.0000000352
 Unscaled step for mode   50=       -0.0000000447
 Unscaled step for mode   51=        0.0000000010
 Unscaled step for mode   52=       -0.0000000115
 Unscaled step for mode   53=       -0.0000000086
 Unscaled step for mode   54=        0.0000000196
 Unscaled step for mode   55=       -0.0000000349
 Unscaled step for mode   56=       -0.0000000319
 Unscaled step for mode   57=        0.0000000014
 Unscaled step for mode   58=       -0.0000000399
 Unscaled step for mode   59=        0.0000000149
 Unscaled step for mode   60=        0.0000000089
 Unscaled step for mode   61=        0.0000000292
 Unscaled step for mode   62=       -0.0000000350
 Unscaled step for mode   63=        0.0000000852
 Unscaled step for mode   64=        0.0000000050
 Unscaled step for mode   65=        0.0000000427
 Unscaled step for mode   66=        0.0000000285
 Unscaled step for mode   67=        0.0000000820
 Unscaled step for mode   68=        0.0000000088
 Unscaled step for mode   69=        0.0000000038
 Unscaled step for mode   70=        0.0000000882
 Unscaled step for mode   71=       -0.0000000285
 Unscaled step for mode   72=       -0.0000000588
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=        0.0000000183
 Unscaled step for mode   75=       -0.0000000382
 Unscaled step for mode   76=       -0.0000000282
 Unscaled step for mode   77=       -0.0000001106
 Unscaled step for mode   78=       -0.0000000053
 Unscaled step for mode   79=        0.0000000258
 Unscaled step for mode   80=        0.0000000459
 Unscaled step for mode   81=        0.0000000947
 Unscaled step for mode   82=        0.0000000934
 Unscaled step for mode   83=       -0.0000000296
 Unscaled step for mode   84=        0.0000000245
 Unscaled step for mode   85=        0.0000001613
 Unscaled step for mode   86=       -0.0000000169
 Unscaled step for mode   87=        0.0000000647
 Unscaled step for mode   88=        0.0000000958
 Unscaled step for mode   89=       -0.0000001963
 Unscaled step for mode   90=        0.0000001495
 Unscaled step for mode   91=       -0.0000002032
 Unscaled step for mode   92=       -0.0000003894
 Unscaled step for mode   93=       -0.0000003208
 Unscaled step for mode   94=       -0.0000000938
 Unscaled step for mode   95=       -0.0000002453
 Unscaled step for mode   96=        0.0000001558
 Unscaled step for mode   97=        0.0000003822
 Unscaled step for mode   98=        0.0000000285
 Unscaled step for mode   99=        0.0000002051
 Unscaled step for mode  100=        0.0000000386
 Unscaled step for mode  101=       -0.0000018061
 Unscaled step for mode  102=        0.0000001066
 Unscaled step for mode  103=       -0.0000003850
 Unscaled step for mode  104=       -0.0000000280
 Unscaled step for mode  105=       -0.0000009448
 Unscaled step for mode  106=       -0.0000006841
 Unscaled step for mode  107=        0.0000201750
 Unscaled step for mode  108=        0.0000495842
 Unscaled step for mode  109=       -0.0000015030
 Unscaled step for mode  110=        0.0008976002
 Unscaled step for mode  111=        0.0000017106
 Unscaled step for mode  112=        0.0038925303
 Unscaled step for mode  113=        0.0149522055
 Unscaled step for mode  114=       -0.2646718942
 Largest modulus ratio of non-zero e/values=           232.8625502    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.298156E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.227124E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.556017E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.931221E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.105937E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.205104E-14    0.974260E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.118541E-05    0.746259E+03  0.158847E-08 0.100000E-04    0.880891E+00
   8   -0.229642E-05    0.674237E+03  0.340595E-08 0.100000E-04    0.972149E+00
   9   -0.327383E-05    0.630439E+03  0.519293E-08 0.100000E-04    0.973433E+00
  10   -0.414661E-06    0.600917E+03  0.690046E-09 0.109000E-04    0.113252E+00
  11   -0.980641E-07    0.586468E+03  0.167211E-09 0.100000E-04    0.522587E+00
  12   -0.504635E-05    0.578861E+03  0.871771E-08 0.100000E-04    0.985793E+00
  13   -0.506334E-06    0.565294E+03  0.895700E-09 0.100000E-04    0.969572E+00
  14    0.271219E-05    0.487437E+03 -0.556419E-08 0.100000E-04    0.990710E+00
  15   -0.125756E-05    0.460754E+03  0.272934E-08 0.100000E-04    0.853882E+00
  16   -0.761499E-06    0.459863E+03  0.165592E-08 0.100000E-04    0.562606E+00
  17   -0.291162E-05    0.441720E+03  0.659156E-08 0.100000E-04    0.880819E+00
  18   -0.126935E-05    0.429189E+03  0.295755E-08 0.100000E-04    0.853439E+00
  19   -0.122245E-05    0.421993E+03  0.289684E-08 0.100000E-04    0.708944E+00
  20   -0.153038E-05    0.408124E+03  0.374979E-08 0.100000E-04    0.888790E+00
  21   -0.157146E-05    0.396404E+03  0.396429E-08 0.100000E-04    0.876556E+00
  22   -0.300933E-05    0.387624E+03  0.776354E-08 0.100000E-04    0.934074E+00
  23    0.391093E-05    0.369964E+03 -0.105711E-07 0.100000E-04    0.940750E+00
  24   -0.183945E-05    0.360534E+03  0.510202E-08 0.100000E-04    0.943350E+00
  25   -0.201322E-05    0.349401E+03  0.576192E-08 0.100000E-04    0.787563E+00
  26   -0.124868E-05    0.335268E+03  0.372443E-08 0.100000E-04    0.605990E+00
  27    0.963318E-06    0.329198E+03 -0.292626E-08 0.109000E-04    0.570580E-01
  28   -0.153066E-05    0.321878E+03  0.475540E-08 0.100000E-04    0.687868E+00
  29   -0.339726E-06    0.319031E+03  0.106487E-08 0.100000E-04    0.263364E+00
  30   -0.864021E-05    0.309572E+03  0.279102E-07 0.100000E-04    0.994214E+00
  31   -0.696136E-05    0.300879E+03  0.231368E-07 0.100000E-04    0.976038E+00
  32   -0.635844E-05    0.290543E+03  0.218847E-07 0.100000E-04    0.986915E+00
  33   -0.307382E-06    0.278815E+03  0.110246E-08 0.100000E-04    0.376342E+00
  34   -0.384722E-06    0.272669E+03  0.141095E-08 0.100000E-04    0.378872E+00
  35    0.592845E-05    0.268482E+03 -0.220814E-07 0.100000E-04    0.961770E+00
  36    0.785820E-05    0.264915E+03 -0.296631E-07 0.100000E-04    0.944264E+00
  37   -0.121856E-05    0.263709E+03  0.462085E-08 0.100000E-04    0.431559E+00
  38    0.599636E-06    0.253248E+03 -0.236778E-08 0.100000E-04    0.817007E+00
  39   -0.199590E-05    0.241511E+03  0.826419E-08 0.100000E-04    0.757363E+00
  40   -0.725649E-05    0.240739E+03  0.301425E-07 0.100000E-04    0.925713E+00
  41   -0.657734E-05    0.233916E+03  0.281184E-07 0.100000E-04    0.887422E+00
  42   -0.955139E-05    0.227494E+03  0.419853E-07 0.100000E-04    0.991005E+00
  43   -0.136077E-05    0.217050E+03  0.626937E-08 0.100000E-04    0.925728E+00
  44   -0.116713E-04    0.214885E+03  0.543142E-07 0.100000E-04    0.958651E+00
  45    0.381290E-05    0.213264E+03 -0.178787E-07 0.100000E-04    0.911398E+00
  46    0.671088E-05    0.207615E+03 -0.323236E-07 0.100000E-04    0.920275E+00
  47   -0.505702E-05    0.203034E+03  0.249073E-07 0.100000E-04    0.953790E+00
  48   -0.515593E-05    0.195534E+03  0.263685E-07 0.100000E-04    0.891851E+00
  49    0.684864E-05    0.194813E+03 -0.351549E-07 0.100000E-04    0.960226E+00
  50    0.855086E-05    0.191339E+03 -0.446895E-07 0.100000E-04    0.884972E+00
  51   -0.179914E-06    0.182903E+03  0.983659E-09 0.100000E-04    0.314235E+00
  52    0.199632E-05    0.174270E+03 -0.114554E-07 0.100000E-04    0.779761E+00
  53    0.148493E-05    0.172305E+03 -0.861805E-08 0.100000E-04    0.807900E+00
  54   -0.329634E-05    0.168192E+03  0.195986E-07 0.100000E-04    0.870310E+00
  55    0.570103E-05    0.163278E+03 -0.349161E-07 0.100000E-04    0.933438E+00
  56    0.500785E-05    0.156901E+03 -0.319172E-07 0.100000E-04    0.988169E+00
  57   -0.217519E-06    0.154875E+03  0.140448E-08 0.100000E-04    0.614895E+00
  58    0.607134E-05    0.152269E+03 -0.398724E-07 0.100000E-04    0.929430E+00
  59   -0.218559E-05    0.146730E+03  0.148953E-07 0.100000E-04    0.928233E+00
  60   -0.127483E-05    0.143397E+03  0.889017E-08 0.100000E-04    0.669406E+00
  61   -0.403011E-05    0.138035E+03  0.291963E-07 0.100000E-04    0.451420E+00
  62    0.474977E-05    0.135872E+03 -0.349577E-07 0.100000E-04    0.968345E+00
  63   -0.110983E-04    0.130326E+03  0.851583E-07 0.100000E-04    0.906439E+00
  64   -0.637815E-06    0.128811E+03  0.495156E-08 0.100000E-04    0.331968E+00
  65   -0.542003E-05    0.126871E+03  0.427206E-07 0.100000E-04    0.772294E+00
  66   -0.354025E-05    0.124192E+03  0.285061E-07 0.100000E-04    0.873731E+00
  67   -0.984286E-05    0.119991E+03  0.820301E-07 0.100000E-04    0.994162E+00
  68   -0.103670E-05    0.118166E+03  0.877326E-08 0.100000E-04    0.737375E+00
  69   -0.439868E-06    0.116896E+03  0.376289E-08 0.100000E-04    0.528161E+00
  70   -0.973316E-05    0.110346E+03  0.882062E-07 0.100000E-04    0.982162E+00
  71    0.304860E-05    0.106872E+03 -0.285258E-07 0.100000E-04    0.909848E+00
  72    0.613622E-05    0.104412E+03 -0.587692E-07 0.100000E-04    0.734648E+00
  73    0.146585E-06    0.102838E+03 -0.142539E-08 0.100000E-04    0.226435E+00
  74   -0.182446E-05    0.995457E+02  0.183278E-07 0.100000E-04    0.815742E+00
  75    0.367007E-05    0.961047E+02 -0.381883E-07 0.100000E-04    0.675374E+00
  76    0.265517E-05    0.941320E+02 -0.282069E-07 0.100000E-04    0.951341E+00
  77    0.101824E-04    0.920235E+02 -0.110650E-06 0.100000E-04    0.884398E+00
  78    0.487683E-06    0.911918E+02 -0.534788E-08 0.100000E-04    0.537375E+00
  79   -0.228670E-05    0.884702E+02  0.258471E-07 0.100000E-04    0.994851E+00
  80   -0.393140E-05    0.855750E+02  0.459410E-07 0.100000E-04    0.998903E+00
  81   -0.765780E-05    0.808231E+02  0.947477E-07 0.100000E-04    0.937925E+00
  82   -0.751085E-05    0.804434E+02  0.933681E-07 0.100000E-04    0.989090E+00
  83    0.230797E-05    0.779664E+02 -0.296021E-07 0.100000E-04    0.894511E+00
  84   -0.179440E-05    0.733126E+02  0.244759E-07 0.100000E-04    0.384756E+01
  85   -0.117159E-04    0.726201E+02  0.161331E-06 0.100000E-04    0.888983E+00
  86    0.114668E-05    0.679487E+02 -0.168757E-07 0.100000E-04    0.205449E+01
  87   -0.419167E-05    0.648016E+02  0.646846E-07 0.109000E-04    0.186493E+00
  88   -0.588297E-05    0.614080E+02  0.958013E-07 0.100000E-04    0.905502E+00
  89    0.117532E-04    0.598607E+02 -0.196342E-06 0.100000E-04    0.989986E+00
  90   -0.888059E-05    0.593951E+02  0.149517E-06 0.100000E-04    0.959398E+00
  91    0.118187E-04    0.581566E+02 -0.203222E-06 0.100000E-04    0.762249E+00
  92    0.217605E-04    0.558773E+02 -0.389433E-06 0.100000E-04    0.992487E+00
  93    0.168309E-04    0.524676E+02 -0.320787E-06 0.100000E-04    0.970216E+00
  94    0.488101E-05    0.520633E+02 -0.937515E-07 0.100000E-04    0.790783E+00
  95    0.123087E-04    0.501739E+02 -0.245321E-06 0.100000E-04    0.908666E+00
  96   -0.720135E-05    0.462355E+02  0.155754E-06 0.100000E-04    0.838139E+00
  97   -0.165531E-04    0.433117E+02  0.382185E-06 0.100000E-04    0.823357E+00
  98   -0.116625E-05    0.408963E+02  0.285171E-07 0.100000E-04    0.351256E+00
  99   -0.776979E-05    0.378810E+02  0.205111E-06 0.109000E-04    0.117539E+00
 100   -0.139936E-05    0.362560E+02  0.385965E-07 0.100000E-04    0.926967E+00
 101    0.583844E-04    0.323257E+02 -0.180613E-05 0.100000E-04    0.937548E+00
 102   -0.307727E-05    0.288657E+02  0.106606E-06 0.100000E-04    0.474992E+00
 103    0.109525E-04    0.284498E+02 -0.384976E-06 0.100000E-04    0.954041E+00
 104    0.735826E-06    0.262833E+02 -0.279959E-07 0.109000E-04    0.130067E+00
 105    0.220291E-04    0.233174E+02 -0.944751E-06 0.100000E-04    0.815731E+00
 106    0.145810E-04    0.213139E+02 -0.684106E-06 0.100000E-04    0.868719E+00
 107   -0.400742E-03    0.198632E+02  0.100000E-04 0.100000E-04    0.656950E+00
 108   -0.817321E-03    0.164835E+02  0.100000E-04 0.100000E-04    0.748695E+00
 109    0.208887E-04    0.138981E+02 -0.150299E-05 0.100000E-04    0.975720E+00
 110   -0.109841E-01    0.122372E+02  0.100000E-04 0.100000E-04    0.417509E+00
 111   -0.172626E-04    0.100913E+02  0.171064E-05 0.100000E-04    0.872199E+00
 112   -0.346580E-01    0.890357E+01  0.164193E-04 0.164193E-04    0.198057E+00
 113   -0.858700E-01    0.574168E+01  0.105948E-03 0.105948E-03    0.237502E+00
 114   -0.912093E+00    0.320472E+01 -0.550711E-04 0.550711E-04    0.613219E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1059480260E-03    0.2646718942    

 Beginning of optimization cycle  521.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3002736559
 potential> RMS force:                                               0.0858810762   |gradient|=.9169589707    
 Eigenvalues of the Hessian matrix:
   746.27950    674.22919    630.45027    600.91028    586.46346    578.86560 
   565.27811    487.43660    460.74884    459.85963    441.71725    429.19663 
   421.99108    408.11773    396.40219    387.61958    369.96573    360.53512 
   349.40006    335.27077    329.20241    321.87580    319.03578    309.56604 
   300.87673    290.54545    278.82234    272.67262    268.48510    264.91665 
   263.71442    253.24706    241.51324    240.74238    233.91965    227.49597 
   217.05309    214.88495    213.26354    207.61761    203.03161    195.52987 
   194.81529    191.34038    182.90594    174.27344    172.30577    168.19429 
   163.27557    156.89942    154.87746    152.26921    146.72667    143.39523 
   138.03754    135.87164    130.32452    128.81211    126.87217    124.18706 
   119.99147    118.16611    116.89390    110.34617    106.87011    104.41284 
   102.83841     99.54454     96.10384     94.13048     92.02075     91.19344 
    88.46767     85.57651     80.82330     80.44624     77.96528     73.31154 
    72.61728     67.94635     64.79892     61.40512     59.85938     59.39478 
    58.15508     55.87612     52.46675     52.06134     50.17607     46.23272 
    43.31359     40.89677     37.88006     36.25271     32.32326     28.86689 
    28.44985     26.28396     23.31763     21.31411     19.86240     16.48259 
    13.89836     12.23718     10.09119      8.90908      5.74163      3.20338 
overlap for current and previous eigenvector    109 is         0.9999998239
overlap for current and previous eigenvector    110 is         0.9999999695
overlap for current and previous eigenvector    111 is         0.9999996185
overlap for current and previous eigenvector    112 is         0.9999991882
overlap for current and previous eigenvector    113 is         0.9999987850
overlap for current and previous eigenvector    114 is         0.9999992061
J1,K1,R1,R2,RAT=   7   7    0.1114540813         1.888492206        0.8884922060    
FOB,PFOB,DIAG,PSTEP=   -0.1053285731E-05   -0.1185407819E-05     746.2795009        0.1588466056E-08
J1,K1,R1,R2,RAT=   8   8    0.9686840104E-01     1.903153814        0.9031315990    
FOB,PFOB,DIAG,PSTEP=   -0.2073967940E-05   -0.2296415574E-05     674.2291921        0.3405948739E-08
J1,K1,R1,R2,RAT=   9   9    0.9274936907E-01     1.907216080        0.9072160799    
FOB,PFOB,DIAG,PSTEP=   -0.2970177604E-05   -0.3273828365E-05     630.4502749        0.5192931233E-08
J1,K1,R1,R2,RAT=  10  10    0.2218703658         1.778152171        0.7781296342    
FOB,PFOB,DIAG,PSTEP=   -0.3226607356E-06   -0.4146605974E-06     600.9102822        0.6900463132E-09
J1,K1,R1,R2,RAT=  11  11    0.2284785388         1.771536884        0.7715214612    
FOB,PFOB,DIAG,PSTEP=   -0.7565870375E-07   -0.9806406533E-07     586.4634625        0.1672112849E-09
J1,K1,R1,R2,RAT= 109 109    0.7789315938E-01     1.922073932        0.9220739317    
FOB,PFOB,DIAG,PSTEP=    0.1926162459E-04    0.2088874143E-04     13.89836042       -0.1502989167E-05
J1,K1,R1,R2,RAT= 110 110     1.371427821         178.1486322        0.3714278207    
FOB,PFOB,DIAG,PSTEP=   -0.1081626836E-01   -0.1098409239E-01     12.23717549        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1023285891E-01     1.989782030        0.9897671411    
FOB,PFOB,DIAG,PSTEP=   -0.1708591342E-04   -0.1726255742E-04     10.09118791        0.1710643887E-05
J1,K1,R1,R2,RAT= 112 112   -0.5178914847         474.3738826        0.4821085153    
FOB,PFOB,DIAG,PSTEP=   -0.3473371772E-01   -0.3465796026E-01     8.909076532        0.1641927322E-04
J1,K1,R1,R2,RAT= 113 113   -0.7917909235         283.1126737        0.2082090765    
FOB,PFOB,DIAG,PSTEP=   -0.8635164798E-01   -0.8586998982E-01     5.741634390        0.1059480260E-03
J1,K1,R1,R2,RAT= 114 114    0.3725233952        -10340.77738        0.6274766048    
FOB,PFOB,DIAG,PSTEP=   -0.9121584434       -0.9120927253         3.203376980       -0.5507105475E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00000      0.00001      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00001      0.00000      0.00001     -0.00000     -0.00000 
     0.00001      0.00001     -0.00000      0.00000      0.00000     -0.00000 
     0.00001      0.00000     -0.00000      0.00001     -0.00000      0.00000 
    -0.00000      0.00000     -0.00001     -0.00000     -0.00000     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00000      0.00001 
     0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001     -0.00001      0.00000      0.00000 
     0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00002      0.00000      0.00001     -0.00001 
    -0.00001     -0.00000     -0.00001     -0.00000      0.00005     -0.00000 
    -0.00001      0.00000      0.00002      0.00001     -0.00032     -0.00077 
     0.00002     -0.01082     -0.00002     -0.03473     -0.08635     -0.91216 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3847294195
 Log product of positive Hessian eigenvalues =          519.0690711123
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2033769801
 Unscaled step for mode    7=        0.0000000014
 Unscaled step for mode    8=        0.0000000031
 Unscaled step for mode    9=        0.0000000047
 Unscaled step for mode   10=        0.0000000005
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000079
 Unscaled step for mode   13=        0.0000000007
 Unscaled step for mode   14=       -0.0000000050
 Unscaled step for mode   15=        0.0000000026
 Unscaled step for mode   16=        0.0000000015
 Unscaled step for mode   17=        0.0000000059
 Unscaled step for mode   18=        0.0000000028
 Unscaled step for mode   19=        0.0000000026
 Unscaled step for mode   20=        0.0000000035
 Unscaled step for mode   21=        0.0000000036
 Unscaled step for mode   22=        0.0000000071
 Unscaled step for mode   23=       -0.0000000096
 Unscaled step for mode   24=        0.0000000046
 Unscaled step for mode   25=        0.0000000051
 Unscaled step for mode   26=        0.0000000030
 Unscaled step for mode   27=       -0.0000000031
 Unscaled step for mode   28=        0.0000000044
 Unscaled step for mode   29=        0.0000000007
 Unscaled step for mode   30=        0.0000000257
 Unscaled step for mode   31=        0.0000000207
 Unscaled step for mode   32=        0.0000000204
 Unscaled step for mode   33=        0.0000000008
 Unscaled step for mode   34=        0.0000000012
 Unscaled step for mode   35=       -0.0000000200
 Unscaled step for mode   36=       -0.0000000272
 Unscaled step for mode   37=        0.0000000044
 Unscaled step for mode   38=       -0.0000000019
 Unscaled step for mode   39=        0.0000000074
 Unscaled step for mode   40=        0.0000000276
 Unscaled step for mode   41=        0.0000000250
 Unscaled step for mode   42=        0.0000000386
 Unscaled step for mode   43=        0.0000000053
 Unscaled step for mode   44=        0.0000000491
 Unscaled step for mode   45=       -0.0000000164
 Unscaled step for mode   46=       -0.0000000291
 Unscaled step for mode   47=        0.0000000225
 Unscaled step for mode   48=        0.0000000241
 Unscaled step for mode   49=       -0.0000000313
 Unscaled step for mode   50=       -0.0000000401
 Unscaled step for mode   51=        0.0000000003
 Unscaled step for mode   52=       -0.0000000110
 Unscaled step for mode   53=       -0.0000000080
 Unscaled step for mode   54=        0.0000000173
 Unscaled step for mode   55=       -0.0000000323
 Unscaled step for mode   56=       -0.0000000300
 Unscaled step for mode   57=        0.0000000015
 Unscaled step for mode   58=       -0.0000000368
 Unscaled step for mode   59=        0.0000000140
 Unscaled step for mode   60=       -0.0000000080
 Unscaled step for mode   61=        0.0000000263
 Unscaled step for mode   62=       -0.0000000317
 Unscaled step for mode   63=        0.0000000779
 Unscaled step for mode   64=        0.0000000036
 Unscaled step for mode   65=        0.0000000387
 Unscaled step for mode   66=        0.0000000256
 Unscaled step for mode   67=        0.0000000751
 Unscaled step for mode   68=        0.0000000082
 Unscaled step for mode   69=        0.0000000043
 Unscaled step for mode   70=        0.0000000787
 Unscaled step for mode   71=        0.0000000260
 Unscaled step for mode   72=       -0.0000000524
 Unscaled step for mode   73=       -0.0000000008
 Unscaled step for mode   74=        0.0000000182
 Unscaled step for mode   75=       -0.0000000338
 Unscaled step for mode   76=       -0.0000000248
 Unscaled step for mode   77=       -0.0000001028
 Unscaled step for mode   78=       -0.0000000011
 Unscaled step for mode   79=        0.0000000246
 Unscaled step for mode   80=        0.0000000398
 Unscaled step for mode   81=        0.0000000861
 Unscaled step for mode   82=        0.0000000835
 Unscaled step for mode   83=       -0.0000000223
 Unscaled step for mode   84=       -0.0000000210
 Unscaled step for mode   85=       -0.0000001461
 Unscaled step for mode   86=        0.0000000149
 Unscaled step for mode   87=        0.0000000619
 Unscaled step for mode   88=        0.0000000955
 Unscaled step for mode   89=       -0.0000001779
 Unscaled step for mode   90=        0.0000001330
 Unscaled step for mode   91=       -0.0000001959
 Unscaled step for mode   92=       -0.0000003522
 Unscaled step for mode   93=       -0.0000002988
 Unscaled step for mode   94=       -0.0000000861
 Unscaled step for mode   95=       -0.0000002191
 Unscaled step for mode   96=        0.0000001516
 Unscaled step for mode   97=        0.0000003417
 Unscaled step for mode   98=        0.0000000335
 Unscaled step for mode   99=        0.0000001931
 Unscaled step for mode  100=        0.0000000477
 Unscaled step for mode  101=       -0.0000016801
 Unscaled step for mode  102=        0.0000000940
 Unscaled step for mode  103=        0.0000003425
 Unscaled step for mode  104=       -0.0000000208
 Unscaled step for mode  105=       -0.0000009079
 Unscaled step for mode  106=       -0.0000006796
 Unscaled step for mode  107=        0.0000161919
 Unscaled step for mode  108=        0.0000464921
 Unscaled step for mode  109=       -0.0000013859
 Unscaled step for mode  110=        0.0008838853
 Unscaled step for mode  111=        0.0000016932
 Unscaled step for mode  112=        0.0038986296
 Unscaled step for mode  113=        0.0150361586
 Unscaled step for mode  114=       -0.2647849570
 Largest modulus ratio of non-zero e/values=           232.9664930    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.325261E-17    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.141358E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.100354E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.541667E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.549016E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.141486E-14    0.974262E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.105329E-05    0.746280E+03  0.141138E-08 0.100000E-04    0.888492E+00
   8   -0.207397E-05    0.674229E+03  0.307606E-08 0.100000E-04    0.903132E+00
   9   -0.297018E-05    0.630450E+03  0.471120E-08 0.100000E-04    0.907216E+00
  10   -0.322661E-06    0.600910E+03  0.536953E-09 0.100000E-04    0.778130E+00
  11   -0.756587E-07    0.586463E+03  0.129008E-09 0.100000E-04    0.771521E+00
  12   -0.458298E-05    0.578866E+03  0.791717E-08 0.100000E-04    0.908164E+00
  13   -0.410619E-06    0.565278E+03  0.726401E-09 0.100000E-04    0.810959E+00
  14    0.245360E-05    0.487437E+03 -0.503368E-08 0.100000E-04    0.904655E+00
  15   -0.118588E-05    0.460749E+03  0.257381E-08 0.100000E-04    0.943005E+00
  16   -0.678504E-06    0.459860E+03  0.147546E-08 0.100000E-04    0.891010E+00
  17   -0.262001E-05    0.441717E+03  0.593142E-08 0.100000E-04    0.899844E+00
  18   -0.119948E-05    0.429197E+03  0.279472E-08 0.100000E-04    0.944928E+00
  19   -0.108024E-05    0.421991E+03  0.255985E-08 0.100000E-04    0.883667E+00
  20   -0.143990E-05    0.408118E+03  0.352814E-08 0.100000E-04    0.940875E+00
  21   -0.143274E-05    0.396402E+03  0.361436E-08 0.100000E-04    0.911725E+00
  22   -0.276770E-05    0.387620E+03  0.714025E-08 0.100000E-04    0.919705E+00
  23    0.353778E-05    0.369966E+03 -0.956245E-08 0.100000E-04    0.904577E+00
  24   -0.165315E-05    0.360535E+03  0.458526E-08 0.100000E-04    0.898711E+00
  25   -0.177470E-05    0.349400E+03  0.507928E-08 0.100000E-04    0.881523E+00
  26   -0.100686E-05    0.335271E+03  0.300314E-08 0.100000E-04    0.806326E+00
  27    0.101112E-05    0.329202E+03 -0.307143E-08 0.100000E-04    0.950375E+00
  28   -0.141670E-05    0.321876E+03  0.440138E-08 0.100000E-04    0.925549E+00
  29   -0.208869E-06    0.319036E+03  0.654689E-09 0.100000E-04    0.614793E+00
  30   -0.794622E-05    0.309566E+03  0.256689E-07 0.100000E-04    0.919678E+00
  31   -0.621965E-05    0.300877E+03  0.206717E-07 0.100000E-04    0.893452E+00
  32   -0.591443E-05    0.290545E+03  0.203563E-07 0.100000E-04    0.930156E+00
  33   -0.235291E-06    0.278822E+03  0.843874E-09 0.100000E-04    0.765423E+00
  34   -0.337240E-06    0.272673E+03  0.123679E-08 0.100000E-04    0.876556E+00
  35    0.536461E-05    0.268485E+03 -0.199810E-07 0.100000E-04    0.904870E+00
  36    0.721098E-05    0.264917E+03 -0.272198E-07 0.100000E-04    0.917625E+00
  37   -0.115516E-05    0.263714E+03  0.438034E-08 0.100000E-04    0.947930E+00
  38    0.482949E-06    0.253247E+03 -0.190703E-08 0.100000E-04    0.805402E+00
  39   -0.178244E-05    0.241513E+03  0.738029E-08 0.100000E-04    0.893036E+00
  40   -0.664837E-05    0.240742E+03  0.276161E-07 0.100000E-04    0.916172E+00
  41   -0.585738E-05    0.233920E+03  0.250401E-07 0.100000E-04    0.890509E+00
  42   -0.877249E-05    0.227496E+03  0.385611E-07 0.100000E-04    0.918432E+00
  43   -0.114550E-05    0.217053E+03  0.527750E-08 0.100000E-04    0.841775E+00
  44   -0.105436E-04    0.214885E+03  0.490664E-07 0.100000E-04    0.903381E+00
  45    0.350425E-05    0.213264E+03 -0.164315E-07 0.100000E-04    0.919051E+00
  46    0.603291E-05    0.207618E+03 -0.290578E-07 0.100000E-04    0.898953E+00
  47   -0.456121E-05    0.203032E+03  0.224655E-07 0.100000E-04    0.901955E+00
  48   -0.471326E-05    0.195530E+03  0.241051E-07 0.100000E-04    0.914143E+00
  49    0.609907E-05    0.194815E+03 -0.313069E-07 0.100000E-04    0.890533E+00
  50    0.768185E-05    0.191340E+03 -0.401476E-07 0.100000E-04    0.898361E+00
  51   -0.523380E-07    0.182906E+03  0.286147E-09 0.100000E-04    0.290886E+00
  52    0.191785E-05    0.174273E+03 -0.110048E-07 0.100000E-04    0.960649E+00
  53    0.137015E-05    0.172306E+03 -0.795188E-08 0.100000E-04    0.922697E+00
  54   -0.290596E-05    0.168194E+03  0.172774E-07 0.100000E-04    0.881550E+00
  55    0.527653E-05    0.163276E+03 -0.323167E-07 0.100000E-04    0.925538E+00
  56    0.471225E-05    0.156899E+03 -0.300336E-07 0.100000E-04    0.940971E+00
  57   -0.227154E-06    0.154877E+03  0.146667E-08 0.100000E-04    0.955706E+00
  58    0.559928E-05    0.152269E+03 -0.367723E-07 0.100000E-04    0.922248E+00
  59   -0.205730E-05    0.146727E+03  0.140213E-07 0.100000E-04    0.941300E+00
  60    0.114049E-05    0.143395E+03 -0.795344E-08 0.100000E-04    0.894618E+00
  61   -0.363714E-05    0.138038E+03  0.263489E-07 0.100000E-04    0.902454E+00
  62    0.430470E-05    0.135872E+03 -0.316821E-07 0.100000E-04    0.906298E+00
  63   -0.101507E-04    0.130325E+03  0.778880E-07 0.100000E-04    0.914614E+00
  64   -0.462868E-06    0.128812E+03  0.359336E-08 0.100000E-04    0.725694E+00
  65   -0.491426E-05    0.126872E+03  0.387339E-07 0.100000E-04    0.906674E+00
  66   -0.318127E-05    0.124187E+03  0.256167E-07 0.100000E-04    0.898596E+00
  67   -0.901199E-05    0.119991E+03  0.751053E-07 0.100000E-04    0.915577E+00
  68   -0.972596E-06    0.118166E+03  0.823075E-08 0.100000E-04    0.938162E+00
  69   -0.498095E-06    0.116894E+03  0.426109E-08 0.100000E-04    0.867624E+00
  70   -0.868051E-05    0.110346E+03  0.786662E-07 0.100000E-04    0.891838E+00
  71   -0.278003E-05    0.106870E+03  0.260131E-07 0.100000E-04    0.911901E+00
  72    0.547590E-05    0.104413E+03 -0.524447E-07 0.100000E-04    0.892376E+00
  73    0.790465E-07    0.102838E+03 -0.768647E-09 0.100000E-04    0.539253E+00
  74   -0.181553E-05    0.995445E+02  0.182384E-07 0.100000E-04    0.995109E+00
  75    0.324423E-05    0.961038E+02 -0.337575E-07 0.100000E-04    0.883967E+00
  76    0.233269E-05    0.941305E+02 -0.247815E-07 0.100000E-04    0.878544E+00
  77    0.946190E-05    0.920207E+02 -0.102824E-06 0.100000E-04    0.929241E+00
  78    0.100232E-06    0.911934E+02 -0.109912E-08 0.100000E-04    0.205506E+00
  79   -0.217287E-05    0.884677E+02  0.245611E-07 0.100000E-04    0.950219E+00
  80   -0.340644E-05    0.855765E+02  0.398058E-07 0.100000E-04    0.866438E+00
  81   -0.695866E-05    0.808233E+02  0.860972E-07 0.100000E-04    0.908698E+00
  82   -0.671916E-05    0.804462E+02  0.835236E-07 0.100000E-04    0.894526E+00
  83    0.173650E-05    0.779653E+02 -0.222728E-07 0.100000E-04    0.752391E+00
  84    0.154101E-05    0.733115E+02 -0.210201E-07 0.100000E-04    0.858790E+00
  85    0.106122E-04    0.726173E+02 -0.146139E-06 0.100000E-04    0.905792E+00
  86   -0.101182E-05    0.679463E+02  0.148915E-07 0.100000E-04    0.882389E+00
  87   -0.401396E-05    0.647989E+02  0.619448E-07 0.100000E-04    0.957602E+00
  88   -0.586203E-05    0.614051E+02  0.954648E-07 0.100000E-04    0.996440E+00
  89    0.106479E-04    0.598594E+02 -0.177882E-06 0.100000E-04    0.905956E+00
  90   -0.789876E-05    0.593948E+02  0.132987E-06 0.100000E-04    0.889440E+00
  91    0.113909E-04    0.581551E+02 -0.195871E-06 0.100000E-04    0.963802E+00
  92    0.196783E-04    0.558761E+02 -0.352177E-06 0.100000E-04    0.904310E+00
  93    0.156763E-04    0.524667E+02 -0.298786E-06 0.100000E-04    0.931398E+00
  94    0.448358E-05    0.520613E+02 -0.861212E-07 0.100000E-04    0.918573E+00
  95    0.109957E-04    0.501761E+02 -0.219143E-06 0.100000E-04    0.893247E+00
  96   -0.700693E-05    0.462327E+02  0.151558E-06 0.100000E-04    0.973001E+00
  97   -0.148009E-04    0.433136E+02  0.341715E-06 0.100000E-04    0.894066E+00
  98   -0.136823E-05    0.408968E+02  0.334556E-07 0.100000E-04    0.826812E+00
  99   -0.731477E-05    0.378801E+02  0.193104E-06 0.100000E-04    0.941436E+00
 100   -0.172935E-05    0.362527E+02  0.477027E-07 0.100000E-04    0.764159E+00
 101    0.543053E-04    0.323233E+02 -0.168007E-05 0.100000E-04    0.930128E+00
 102   -0.271413E-05    0.288669E+02  0.940221E-07 0.100000E-04    0.881915E+00
 103   -0.974298E-05    0.284498E+02  0.342462E-06 0.100000E-04    0.889565E+00
 104    0.547617E-06    0.262840E+02 -0.208346E-07 0.100000E-04    0.744178E+00
 105    0.211698E-04    0.233176E+02 -0.907889E-06 0.100000E-04    0.960972E+00
 106    0.144859E-04    0.213141E+02 -0.679639E-06 0.100000E-04    0.993462E+00
 107   -0.321609E-03    0.198624E+02  0.100000E-04 0.100000E-04    0.601598E+00
 108   -0.766311E-03    0.164826E+02  0.100000E-04 0.100000E-04    0.690524E+00
 109    0.192616E-04    0.138984E+02 -0.138589E-05 0.100000E-04    0.922074E+00
 110   -0.108163E-01    0.122372E+02  0.100000E-04 0.100000E-04    0.371428E+00
 111   -0.170859E-04    0.100912E+02  0.169315E-05 0.100000E-04    0.989767E+00
 112   -0.347337E-01    0.890908E+01  0.147921E-04 0.147921E-04    0.482109E+00
 113   -0.863516E-01    0.574163E+01  0.954487E-04 0.954487E-04    0.208209E+00
 114   -0.912158E+00    0.320338E+01 -0.496136E-04 0.496136E-04    0.627477E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.9544867203E-04    0.2647849570    

 Beginning of optimization cycle  522.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3002372420
 potential> RMS force:                                               0.0858904307   |gradient|=.9170588499    
 Eigenvalues of the Hessian matrix:
   746.29770    674.22247    630.45997    600.90419    586.45931    578.86926 
   565.26366    487.43620    460.74456    459.85611    441.71456    429.20378 
   421.98975    408.11239    396.40018    387.61590    369.96754    360.53595 
   349.39914    335.27345    329.20637    321.87420    319.04004    309.56092 
   300.87483    290.54737    278.82880    272.67577    268.48792    264.91834 
   263.71910    253.24596    241.51512    240.74506    233.92294    227.49806 
   217.05609    214.88492    213.26267    207.61975    203.02980    195.52626 
   194.81701    191.34132    182.90835    174.27677    172.30634    168.19615 
   163.27317    156.89781    154.87954    152.26904    146.72388    143.39327 
   138.03994    135.87150    130.32316    128.81321    126.87280    124.18215 
   119.99205    118.16622    116.89170    110.34673    106.86874    104.41350 
   102.83840     99.54346     96.10304     94.12913     92.01823     91.19497 
    88.46539     85.57782     80.82344     80.44881     77.96424     73.31056 
    72.61470     67.94420     64.79645     61.40248     59.85816     59.39444 
    58.15374     55.87509     52.46599     52.05960     50.17803     46.23016 
    43.31523     40.89722     37.87924     36.24974     32.32105     28.86800 
    28.44985     26.28456     23.31785     21.31424     19.86160     16.48177 
    13.89857     12.23719     10.09112      8.91402      5.74157      3.20215 
overlap for current and previous eigenvector    109 is         0.9999998576
overlap for current and previous eigenvector    110 is         0.9999999749
overlap for current and previous eigenvector    111 is         0.9999996855
overlap for current and previous eigenvector    112 is         0.9999993442
overlap for current and previous eigenvector    113 is         0.9999990087
overlap for current and previous eigenvector    114 is         0.9999993433
J1,K1,R1,R2,RAT=   7   7    0.1173697808         1.882581442        0.8825814419    
FOB,PFOB,DIAG,PSTEP=   -0.9296588010E-06   -0.1053285731E-05     746.2977021        0.1411382371E-08
J1,K1,R1,R2,RAT=   8   8    0.1003045989         1.899715349        0.8996954011    
FOB,PFOB,DIAG,PSTEP=   -0.1865941492E-05   -0.2073967940E-05     674.2224673        0.3076057762E-08
J1,K1,R1,R2,RAT=   9   9    0.1081391464         1.891830093        0.8918300932    
FOB,PFOB,DIAG,PSTEP=   -0.2648980193E-05   -0.2970177604E-05     630.4599715        0.4711200426E-08
J1,K1,R1,R2,RAT=  10  10    0.1207707578         1.879249532        0.8792292422    
FOB,PFOB,DIAG,PSTEP=   -0.2836931494E-06   -0.3226607356E-06     600.9041861        0.5369532611E-09
J1,K1,R1,R2,RAT=  11  11    0.8327885168E-01     1.916735320        0.9167211483    
FOB,PFOB,DIAG,PSTEP=   -0.6935797843E-07   -0.7565870375E-07     586.4593068        0.1290083843E-09
J1,K1,R1,R2,RAT= 109 109    0.1291680733         1.870801208        0.8708012076    
FOB,PFOB,DIAG,PSTEP=    0.1677359944E-04    0.1926162459E-04     13.89857389       -0.1385891861E-05
J1,K1,R1,R2,RAT= 110 110     1.333073001         175.4439096        0.3330730012    
FOB,PFOB,DIAG,PSTEP=   -0.1065313767E-01   -0.1081626836E-01     12.23719083        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3104808068E-01     1.968964588        0.9689519193    
FOB,PFOB,DIAG,PSTEP=   -0.1655543197E-04   -0.1708591342E-04     10.09112399        0.1693151844E-05
J1,K1,R1,R2,RAT= 112 112   -0.5112823693         527.3488264        0.4887176307    
FOB,PFOB,DIAG,PSTEP=   -0.3480113409E-01   -0.3473371772E-01     8.914019891        0.1479213803E-04
J1,K1,R1,R2,RAT= 113 113   -0.8094813379         315.9468985        0.1905186621    
FOB,PFOB,DIAG,PSTEP=   -0.8679526428E-01   -0.8635164798E-01     5.741571324        0.9544867203E-04
J1,K1,R1,R2,RAT= 114 114    0.3633855382        -11483.43724        0.6366144618    
FOB,PFOB,DIAG,PSTEP=   -0.9122161745       -0.9121584434         3.202150241       -0.4961356284E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00001 
    -0.00001     -0.00001     -0.00000     -0.00000      0.00000      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00001     -0.00001 
    -0.00000     -0.00001      0.00000      0.00001     -0.00000     -0.00000 
     0.00001      0.00001     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00001      0.00000      0.00000 
     0.00000     -0.00000     -0.00001     -0.00000     -0.00000     -0.00000 
    -0.00001     -0.00000     -0.00000     -0.00001     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001     -0.00001      0.00000      0.00000 
     0.00001     -0.00000     -0.00000     -0.00001      0.00001     -0.00001 
     0.00001      0.00002      0.00001      0.00000      0.00001     -0.00001 
    -0.00001     -0.00000      0.00001      0.00000     -0.00005      0.00000 
    -0.00001      0.00000     -0.00002     -0.00001     -0.00023     -0.00071 
     0.00002     -0.01065     -0.00002     -0.03480     -0.08680     -0.91222 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846870403
 Log product of positive Hessian eigenvalues =          519.0688311168
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2021502411
 Unscaled step for mode    7=        0.0000000012
 Unscaled step for mode    8=        0.0000000028
 Unscaled step for mode    9=        0.0000000042
 Unscaled step for mode   10=        0.0000000005
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000071
 Unscaled step for mode   13=        0.0000000007
 Unscaled step for mode   14=       -0.0000000045
 Unscaled step for mode   15=        0.0000000023
 Unscaled step for mode   16=        0.0000000013
 Unscaled step for mode   17=        0.0000000053
 Unscaled step for mode   18=        0.0000000025
 Unscaled step for mode   19=        0.0000000023
 Unscaled step for mode   20=        0.0000000032
 Unscaled step for mode   21=        0.0000000032
 Unscaled step for mode   22=        0.0000000064
 Unscaled step for mode   23=       -0.0000000085
 Unscaled step for mode   24=        0.0000000040
 Unscaled step for mode   25=        0.0000000046
 Unscaled step for mode   26=        0.0000000024
 Unscaled step for mode   27=       -0.0000000030
 Unscaled step for mode   28=        0.0000000040
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000236
 Unscaled step for mode   31=        0.0000000186
 Unscaled step for mode   32=        0.0000000186
 Unscaled step for mode   33=        0.0000000008
 Unscaled step for mode   34=        0.0000000009
 Unscaled step for mode   35=       -0.0000000180
 Unscaled step for mode   36=       -0.0000000248
 Unscaled step for mode   37=        0.0000000039
 Unscaled step for mode   38=       -0.0000000015
 Unscaled step for mode   39=        0.0000000066
 Unscaled step for mode   40=        0.0000000250
 Unscaled step for mode   41=        0.0000000223
 Unscaled step for mode   42=        0.0000000351
 Unscaled step for mode   43=        0.0000000047
 Unscaled step for mode   44=        0.0000000442
 Unscaled step for mode   45=       -0.0000000149
 Unscaled step for mode   46=       -0.0000000260
 Unscaled step for mode   47=        0.0000000203
 Unscaled step for mode   48=        0.0000000216
 Unscaled step for mode   49=       -0.0000000282
 Unscaled step for mode   50=       -0.0000000365
 Unscaled step for mode   51=        0.0000000001
 Unscaled step for mode   52=       -0.0000000101
 Unscaled step for mode   53=       -0.0000000074
 Unscaled step for mode   54=        0.0000000156
 Unscaled step for mode   55=       -0.0000000298
 Unscaled step for mode   56=       -0.0000000271
 Unscaled step for mode   57=        0.0000000011
 Unscaled step for mode   58=       -0.0000000337
 Unscaled step for mode   59=       -0.0000000125
 Unscaled step for mode   60=       -0.0000000076
 Unscaled step for mode   61=       -0.0000000241
 Unscaled step for mode   62=        0.0000000283
 Unscaled step for mode   63=        0.0000000713
 Unscaled step for mode   64=        0.0000000024
 Unscaled step for mode   65=        0.0000000347
 Unscaled step for mode   66=        0.0000000232
 Unscaled step for mode   67=        0.0000000683
 Unscaled step for mode   68=        0.0000000072
 Unscaled step for mode   69=        0.0000000047
 Unscaled step for mode   70=        0.0000000710
 Unscaled step for mode   71=        0.0000000234
 Unscaled step for mode   72=       -0.0000000460
 Unscaled step for mode   73=       -0.0000000007
 Unscaled step for mode   74=        0.0000000181
 Unscaled step for mode   75=       -0.0000000300
 Unscaled step for mode   76=       -0.0000000227
 Unscaled step for mode   77=        0.0000000953
 Unscaled step for mode   78=       -0.0000000013
 Unscaled step for mode   79=        0.0000000221
 Unscaled step for mode   80=        0.0000000354
 Unscaled step for mode   81=        0.0000000782
 Unscaled step for mode   82=        0.0000000753
 Unscaled step for mode   83=       -0.0000000198
 Unscaled step for mode   84=       -0.0000000191
 Unscaled step for mode   85=       -0.0000001330
 Unscaled step for mode   86=        0.0000000120
 Unscaled step for mode   87=        0.0000000590
 Unscaled step for mode   88=        0.0000000893
 Unscaled step for mode   89=       -0.0000001608
 Unscaled step for mode   90=        0.0000001168
 Unscaled step for mode   91=       -0.0000001837
 Unscaled step for mode   92=       -0.0000003204
 Unscaled step for mode   93=       -0.0000002735
 Unscaled step for mode   94=       -0.0000000778
 Unscaled step for mode   95=       -0.0000001994
 Unscaled step for mode   96=        0.0000001448
 Unscaled step for mode   97=        0.0000003079
 Unscaled step for mode   98=        0.0000000363
 Unscaled step for mode   99=       -0.0000001799
 Unscaled step for mode  100=       -0.0000000447
 Unscaled step for mode  101=        0.0000015521
 Unscaled step for mode  102=       -0.0000000811
 Unscaled step for mode  103=        0.0000002965
 Unscaled step for mode  104=       -0.0000000182
 Unscaled step for mode  105=        0.0000008431
 Unscaled step for mode  106=        0.0000006180
 Unscaled step for mode  107=        0.0000117445
 Unscaled step for mode  108=        0.0000428331
 Unscaled step for mode  109=       -0.0000012069
 Unscaled step for mode  110=        0.0008705535
 Unscaled step for mode  111=        0.0000016406
 Unscaled step for mode  112=        0.0039040303
 Unscaled step for mode  113=        0.0151135349
 Unscaled step for mode  114=       -0.2648876631
 Largest modulus ratio of non-zero e/values=           233.0614262    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.242753E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.130299E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.455583E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.514996E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.433247E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.199419E-14    0.974262E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.929659E-06    0.746298E+03  0.124569E-08 0.100000E-04    0.882581E+00
   8   -0.186594E-05    0.674222E+03  0.276755E-08 0.100000E-04    0.899695E+00
   9   -0.264898E-05    0.630460E+03  0.420166E-08 0.100000E-04    0.891830E+00
  10   -0.283693E-06    0.600904E+03  0.472110E-09 0.100000E-04    0.879229E+00
  11   -0.693580E-07    0.586459E+03  0.118266E-09 0.100000E-04    0.916721E+00
  12   -0.409745E-05    0.578869E+03  0.707837E-08 0.100000E-04    0.894047E+00
  13   -0.368365E-06    0.565264E+03  0.651669E-09 0.100000E-04    0.897095E+00
  14    0.221302E-05    0.487436E+03 -0.454012E-08 0.100000E-04    0.901947E+00
  15   -0.105463E-05    0.460745E+03  0.228897E-08 0.100000E-04    0.889319E+00
  16   -0.613609E-06    0.459856E+03  0.133435E-08 0.100000E-04    0.904355E+00
  17   -0.233694E-05    0.441715E+03  0.529062E-08 0.100000E-04    0.891959E+00
  18   -0.107241E-05    0.429204E+03  0.249859E-08 0.100000E-04    0.894024E+00
  19   -0.951433E-06    0.421990E+03  0.225463E-08 0.100000E-04    0.880764E+00
  20   -0.131565E-05    0.408112E+03  0.322374E-08 0.100000E-04    0.913708E+00
  21   -0.126695E-05    0.396400E+03  0.319615E-08 0.100000E-04    0.884285E+00
  22   -0.249657E-05    0.387616E+03  0.644082E-08 0.100000E-04    0.902035E+00
  23    0.315860E-05    0.369968E+03 -0.853750E-08 0.100000E-04    0.892810E+00
  24   -0.144791E-05    0.360536E+03  0.401598E-08 0.100000E-04    0.875844E+00
  25   -0.162023E-05    0.349399E+03  0.463719E-08 0.100000E-04    0.912958E+00
  26   -0.819881E-06    0.335273E+03  0.244541E-08 0.100000E-04    0.814277E+00
  27    0.972201E-06    0.329206E+03 -0.295317E-08 0.100000E-04    0.961482E+00
  28   -0.127877E-05    0.321874E+03  0.397288E-08 0.100000E-04    0.902638E+00
  29   -0.107064E-06    0.319040E+03  0.335582E-09 0.100000E-04    0.512569E+00
  30   -0.730299E-05    0.309561E+03  0.235914E-07 0.100000E-04    0.919050E+00
  31   -0.560625E-05    0.300875E+03  0.186332E-07 0.100000E-04    0.901376E+00
  32   -0.540241E-05    0.290547E+03  0.185939E-07 0.100000E-04    0.913416E+00
  33   -0.229015E-06    0.278829E+03  0.821348E-09 0.100000E-04    0.973283E+00
  34   -0.251640E-06    0.272676E+03  0.922854E-09 0.100000E-04    0.746155E+00
  35    0.483667E-05    0.268488E+03 -0.180145E-07 0.100000E-04    0.901569E+00
  36    0.657615E-05    0.264918E+03 -0.248233E-07 0.100000E-04    0.911951E+00
  37   -0.103646E-05    0.263719E+03  0.393018E-08 0.100000E-04    0.897214E+00
  38    0.377327E-06    0.253246E+03 -0.148996E-08 0.100000E-04    0.781297E+00
  39   -0.159018E-05    0.241515E+03  0.658417E-08 0.100000E-04    0.892121E+00
  40   -0.602059E-05    0.240745E+03  0.250081E-07 0.100000E-04    0.905551E+00
  41   -0.522207E-05    0.233923E+03  0.223239E-07 0.100000E-04    0.891511E+00
  42   -0.798446E-05    0.227498E+03  0.350968E-07 0.100000E-04    0.910153E+00
  43   -0.101610E-05    0.217056E+03  0.468130E-08 0.100000E-04    0.887016E+00
  44   -0.949176E-05    0.214885E+03  0.441714E-07 0.100000E-04    0.900236E+00
  45    0.318247E-05    0.213263E+03 -0.149228E-07 0.100000E-04    0.908173E+00
  46    0.540261E-05    0.207620E+03 -0.260217E-07 0.100000E-04    0.895504E+00
  47   -0.412259E-05    0.203030E+03  0.203053E-07 0.100000E-04    0.903837E+00
  48   -0.423237E-05    0.195526E+03  0.216461E-07 0.100000E-04    0.897970E+00
  49    0.549285E-05    0.194817E+03 -0.281949E-07 0.100000E-04    0.900587E+00
  50    0.698384E-05    0.191341E+03 -0.364994E-07 0.100000E-04    0.909126E+00
  51   -0.188221E-07    0.182908E+03  0.102905E-09 0.100000E-04    0.359608E+00
  52    0.176263E-05    0.174277E+03 -0.101140E-07 0.100000E-04    0.919030E+00
  53    0.126773E-05    0.172306E+03 -0.735740E-08 0.100000E-04    0.925238E+00
  54   -0.261621E-05    0.168196E+03  0.155545E-07 0.100000E-04    0.900271E+00
  55    0.485836E-05    0.163273E+03 -0.297560E-07 0.100000E-04    0.920749E+00
  56    0.424802E-05    0.156898E+03 -0.270751E-07 0.100000E-04    0.901484E+00
  57   -0.166747E-06    0.154880E+03  0.107662E-08 0.100000E-04    0.734044E+00
  58    0.513808E-05    0.152269E+03 -0.337434E-07 0.100000E-04    0.917632E+00
  59    0.183903E-05    0.146724E+03 -0.125340E-07 0.100000E-04    0.893904E+00
  60    0.109092E-05    0.143393E+03 -0.760788E-08 0.100000E-04    0.956538E+00
  61    0.331992E-05    0.138040E+03 -0.240505E-07 0.100000E-04    0.912751E+00
  62   -0.384928E-05    0.135872E+03  0.283303E-07 0.100000E-04    0.894203E+00
  63   -0.929266E-05    0.130323E+03  0.713048E-07 0.100000E-04    0.915468E+00
  64   -0.302962E-06    0.128813E+03  0.235195E-08 0.100000E-04    0.654518E+00
  65   -0.440797E-05    0.126873E+03  0.347433E-07 0.100000E-04    0.896968E+00
  66   -0.287492E-05    0.124182E+03  0.231508E-07 0.100000E-04    0.903698E+00
  67   -0.819930E-05    0.119992E+03  0.683321E-07 0.100000E-04    0.909812E+00
  68   -0.847403E-06    0.118166E+03  0.717128E-08 0.100000E-04    0.871278E+00
  69   -0.552353E-06    0.116892E+03  0.472534E-08 0.100000E-04    0.891066E+00
  70   -0.783918E-05    0.110347E+03  0.710413E-07 0.100000E-04    0.903068E+00
  71   -0.249786E-05    0.106869E+03  0.233732E-07 0.100000E-04    0.898502E+00
  72    0.480544E-05    0.104413E+03 -0.460232E-07 0.100000E-04    0.877550E+00
  73    0.731584E-07    0.102838E+03 -0.711392E-09 0.100000E-04    0.925511E+00
  74   -0.179974E-05    0.995435E+02  0.180800E-07 0.100000E-04    0.991302E+00
  75    0.288084E-05    0.961030E+02 -0.299766E-07 0.100000E-04    0.887990E+00
  76    0.213358E-05    0.941291E+02 -0.226665E-07 0.100000E-04    0.914642E+00
  77   -0.877365E-05    0.920182E+02  0.953469E-07 0.100000E-04    0.927260E+00
  78    0.121388E-06    0.911950E+02 -0.133108E-08 0.100000E-04    0.788936E+00
  79   -0.195633E-05    0.884654E+02  0.221141E-07 0.100000E-04    0.900344E+00
  80   -0.302902E-05    0.855778E+02  0.353949E-07 0.100000E-04    0.889174E+00
  81   -0.632182E-05    0.808234E+02  0.782176E-07 0.100000E-04    0.908479E+00
  82   -0.605605E-05    0.804488E+02  0.752783E-07 0.100000E-04    0.901250E+00
  83    0.154022E-05    0.779642E+02 -0.197554E-07 0.100000E-04    0.886963E+00
  84    0.139892E-05    0.733106E+02 -0.190821E-07 0.100000E-04    0.907792E+00
  85    0.966005E-05    0.726147E+02 -0.133032E-06 0.100000E-04    0.910277E+00
  86   -0.813575E-06    0.679442E+02  0.119742E-07 0.100000E-04    0.804062E+00
  87   -0.382534E-05    0.647965E+02  0.590362E-07 0.100000E-04    0.953007E+00
  88   -0.548039E-05    0.614025E+02  0.892535E-07 0.100000E-04    0.934894E+00
  89    0.962428E-05    0.598582E+02 -0.160785E-06 0.100000E-04    0.903866E+00
  90   -0.693515E-05    0.593944E+02  0.116764E-06 0.100000E-04    0.878004E+00
  91    0.106836E-04    0.581537E+02 -0.183713E-06 0.100000E-04    0.937905E+00
  92    0.179021E-04    0.558751E+02 -0.320395E-06 0.100000E-04    0.909738E+00
  93    0.143505E-04    0.524660E+02 -0.273520E-06 0.100000E-04    0.915423E+00
  94    0.405134E-05    0.520596E+02 -0.778212E-07 0.100000E-04    0.903591E+00
  95    0.100046E-04    0.501780E+02 -0.199381E-06 0.100000E-04    0.909786E+00
  96   -0.669258E-05    0.462302E+02  0.144766E-06 0.100000E-04    0.955134E+00
  97   -0.133373E-04    0.433152E+02  0.307913E-06 0.100000E-04    0.901042E+00
  98   -0.148634E-05    0.408972E+02  0.363434E-07 0.100000E-04    0.913673E+00
  99    0.681598E-05    0.378792E+02 -0.179940E-06 0.100000E-04    0.931808E+00
 100    0.161884E-05    0.362497E+02 -0.446580E-07 0.100000E-04    0.936091E+00
 101   -0.501659E-04    0.323211E+02  0.155211E-05 0.100000E-04    0.923769E+00
 102    0.234027E-05    0.288680E+02 -0.810679E-07 0.100000E-04    0.862183E+00
 103   -0.843572E-05    0.284499E+02  0.296512E-06 0.100000E-04    0.865825E+00
 104    0.477222E-06    0.262846E+02 -0.181560E-07 0.100000E-04    0.871410E+00
 105   -0.196599E-04    0.233179E+02  0.843125E-06 0.100000E-04    0.928656E+00
 106   -0.131713E-04    0.213142E+02  0.617955E-06 0.100000E-04    0.909235E+00
 107   -0.233264E-03    0.198616E+02  0.100000E-04 0.100000E-04    0.555196E+00
 108   -0.705966E-03    0.164818E+02  0.100000E-04 0.100000E-04    0.633870E+00
 109    0.167736E-04    0.138986E+02 -0.120686E-05 0.100000E-04    0.870801E+00
 110   -0.106531E-01    0.122372E+02  0.100000E-04 0.100000E-04    0.333073E+00
 111   -0.165554E-04    0.100911E+02  0.164059E-05 0.100000E-04    0.968952E+00
 112   -0.348011E-01    0.891402E+01  0.133263E-04 0.133263E-04    0.488718E+00
 113   -0.867953E-01    0.574157E+01  0.104039E-03 0.104039E-03    0.190519E+00
 114   -0.912216E+00    0.320215E+01 -0.446969E-04 0.446969E-04    0.636614E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1040390525E-03    0.2648876631    

 Beginning of optimization cycle  523.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3002060412
 potential> RMS force:                                               0.0858979018   |gradient|=.9171386196    
 Eigenvalues of the Hessian matrix:
   746.31555    674.21479    630.46985    600.89858    586.45485    578.87274 
   565.24832    487.43500    460.74038    459.85264    441.71155    429.21172 
   421.98842    408.10674    396.39809    387.61229    369.96917    360.53699 
   349.39858    335.27634    329.21030    321.87227    319.04513    309.55578 
   300.87341    290.54922    278.83573    272.67892    268.49094    264.92006 
   263.72396    253.24513    241.51743    240.74773    233.92659    227.50061 
   217.05958    214.88486    213.26175    207.62198    203.02795    195.52270 
   194.81904    191.34232    182.91115    174.28030    172.30700    168.19813 
   163.27079    156.89630    154.88173    152.26877    146.72105    143.39111 
   138.04244    135.87139    130.32163    128.81435    126.87332    124.17700 
   119.99262    118.16627    116.88932    110.34738    106.86728    104.41410 
   102.83838     99.54232     96.10203     94.12763     92.01593     91.19658 
    88.46308     85.57923     80.82361     80.45156     77.96313     73.30933 
    72.61183     67.94181     64.79388     61.39997     59.85694     59.39400 
    58.15236     55.87391     52.46515     52.05769     50.18009     46.22754 
    43.31697     40.89758     37.87826     36.24634     32.31892     28.86912 
    28.44988     26.28532     23.31810     21.31422     19.86097     16.48096 
    13.89878     12.23719     10.09106      8.91928      5.74168      3.20095 
overlap for current and previous eigenvector    109 is        -0.9999998382
overlap for current and previous eigenvector    110 is         0.9999999690
overlap for current and previous eigenvector    111 is        -0.9999996272
overlap for current and previous eigenvector    112 is        -0.9999992399
overlap for current and previous eigenvector    113 is         0.9999988912
overlap for current and previous eigenvector    114 is         0.9999992643
J1,K1,R1,R2,RAT=   7   7    0.1275147635         1.872437407        0.8724374066    
FOB,PFOB,DIAG,PSTEP=   -0.8111107438E-06   -0.9296588010E-06     746.3155502        0.1245694310E-08
J1,K1,R1,R2,RAT=   8   8    0.1842382140E-01     1.981598945        0.9815761786    
FOB,PFOB,DIAG,PSTEP=   -0.1831564111E-05   -0.1865941492E-05     674.2147927        0.2767545703E-08
J1,K1,R1,R2,RAT=   9   9   -0.3214699665E-01     2.032115645        0.9678530033    
FOB,PFOB,DIAG,PSTEP=   -0.2734138286E-05   -0.2648980193E-05     630.4698548        0.4201662775E-08
J1,K1,R1,R2,RAT=  10  10   -0.5736988388         2.573717492        0.4263011612    
FOB,PFOB,DIAG,PSTEP=   -0.4464460618E-06   -0.2836931494E-06     600.8985816        0.4721104562E-09
J1,K1,R1,R2,RAT=  11  11    0.9869004390         1.013114777        0.1309956103E-01
FOB,PFOB,DIAG,PSTEP=   -0.9090798249E-09   -0.6935797843E-07     586.4548451        0.1182656284E-09
J1,K1,R1,R2,RAT= 109 109     1.981308893        0.1866186341E-01    0.9813088930    
FOB,PFOB,DIAG,PSTEP=   -0.1646056824E-04    0.1677359944E-04     13.89877712       -0.1206857593E-05
J1,K1,R1,R2,RAT= 110 110     1.405081315         172.7057379        0.4050813147    
FOB,PFOB,DIAG,PSTEP=   -0.1048119517E-01   -0.1065313767E-01     12.23719206        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.870657134        0.1293555403        0.8706444597    
FOB,PFOB,DIAG,PSTEP=    0.1441390869E-04   -0.1655543197E-04     10.09106004        0.1640593454E-05
J1,K1,R1,R2,RAT= 112 112     586.3204984       -0.7411323809        0.2588676191    
FOB,PFOB,DIAG,PSTEP=    0.3488922547E-01   -0.3480113409E-01     8.919277076        0.1332625048E-04
J1,K1,R1,R2,RAT= 113 113   -0.7578615251         291.3546576        0.2421384749    
FOB,PFOB,DIAG,PSTEP=   -0.8724797947E-01   -0.8679526428E-01     5.741677765        0.1040390525E-03
J1,K1,R1,R2,RAT= 114 114    0.2494684113        -12752.04105        0.7505315887    
FOB,PFOB,DIAG,PSTEP=   -0.9122518666       -0.9122161745         3.200951704       -0.4469690346E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00001 
    -0.00001     -0.00001     -0.00000      0.00000      0.00000      0.00001 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
    -0.00000     -0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00001      0.00001      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00001     -0.00000      0.00001      0.00000 
     0.00001      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000      0.00000      0.00001      0.00001     -0.00000      0.00000 
     0.00001     -0.00000      0.00001      0.00000     -0.00001      0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000     -0.00001      0.00001 
     0.00002     -0.00000      0.00001      0.00000      0.00005      0.00000 
    -0.00001     -0.00000      0.00002      0.00001      0.00015      0.00065 
    -0.00002     -0.01048      0.00001      0.03489     -0.08725     -0.91225 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846573619
 Log product of positive Hessian eigenvalues =          519.0686532760
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.2009517041
 Unscaled step for mode    7=        0.0000000011
 Unscaled step for mode    8=        0.0000000027
 Unscaled step for mode    9=        0.0000000043
 Unscaled step for mode   10=        0.0000000007
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000072
 Unscaled step for mode   13=        0.0000000006
 Unscaled step for mode   14=       -0.0000000046
 Unscaled step for mode   15=        0.0000000026
 Unscaled step for mode   16=        0.0000000017
 Unscaled step for mode   17=        0.0000000059
 Unscaled step for mode   18=        0.0000000028
 Unscaled step for mode   19=        0.0000000013
 Unscaled step for mode   20=        0.0000000035
 Unscaled step for mode   21=        0.0000000036
 Unscaled step for mode   22=        0.0000000060
 Unscaled step for mode   23=       -0.0000000091
 Unscaled step for mode   24=        0.0000000038
 Unscaled step for mode   25=        0.0000000034
 Unscaled step for mode   26=        0.0000000006
 Unscaled step for mode   27=       -0.0000000041
 Unscaled step for mode   28=        0.0000000049
 Unscaled step for mode   29=       -0.0000000020
 Unscaled step for mode   30=        0.0000000236
 Unscaled step for mode   31=        0.0000000184
 Unscaled step for mode   32=        0.0000000185
 Unscaled step for mode   33=        0.0000000023
 Unscaled step for mode   34=       -0.0000000009
 Unscaled step for mode   35=       -0.0000000175
 Unscaled step for mode   36=       -0.0000000236
 Unscaled step for mode   37=        0.0000000053
 Unscaled step for mode   38=       -0.0000000011
 Unscaled step for mode   39=        0.0000000045
 Unscaled step for mode   40=        0.0000000233
 Unscaled step for mode   41=        0.0000000197
 Unscaled step for mode   42=        0.0000000350
 Unscaled step for mode   43=        0.0000000044
 Unscaled step for mode   44=        0.0000000427
 Unscaled step for mode   45=       -0.0000000136
 Unscaled step for mode   46=       -0.0000000240
 Unscaled step for mode   47=        0.0000000195
 Unscaled step for mode   48=        0.0000000238
 Unscaled step for mode   49=       -0.0000000273
 Unscaled step for mode   50=       -0.0000000405
 Unscaled step for mode   51=       -0.0000000015
 Unscaled step for mode   52=        0.0000000118
 Unscaled step for mode   53=        0.0000000058
 Unscaled step for mode   54=       -0.0000000134
 Unscaled step for mode   55=       -0.0000000279
 Unscaled step for mode   56=       -0.0000000269
 Unscaled step for mode   57=        0.0000000040
 Unscaled step for mode   58=       -0.0000000315
 Unscaled step for mode   59=       -0.0000000117
 Unscaled step for mode   60=        0.0000000042
 Unscaled step for mode   61=       -0.0000000325
 Unscaled step for mode   62=        0.0000000277
 Unscaled step for mode   63=       -0.0000000776
 Unscaled step for mode   64=        0.0000000055
 Unscaled step for mode   65=       -0.0000000413
 Unscaled step for mode   66=       -0.0000000259
 Unscaled step for mode   67=       -0.0000000684
 Unscaled step for mode   68=       -0.0000000086
 Unscaled step for mode   69=       -0.0000000020
 Unscaled step for mode   70=       -0.0000000704
 Unscaled step for mode   71=       -0.0000000255
 Unscaled step for mode   72=       -0.0000000295
 Unscaled step for mode   73=        0.0000000031
 Unscaled step for mode   74=       -0.0000000148
 Unscaled step for mode   75=       -0.0000000157
 Unscaled step for mode   76=       -0.0000000239
 Unscaled step for mode   77=       -0.0000000843
 Unscaled step for mode   78=       -0.0000000020
 Unscaled step for mode   79=        0.0000000221
 Unscaled step for mode   80=       -0.0000000359
 Unscaled step for mode   81=       -0.0000000738
 Unscaled step for mode   82=       -0.0000000769
 Unscaled step for mode   83=        0.0000000227
 Unscaled step for mode   84=       -0.0000000422
 Unscaled step for mode   85=       -0.0000001470
 Unscaled step for mode   86=        0.0000000222
 Unscaled step for mode   87=       -0.0000000825
 Unscaled step for mode   88=       -0.0000000811
 Unscaled step for mode   89=        0.0000001634
 Unscaled step for mode   90=       -0.0000001129
 Unscaled step for mode   91=        0.0000002151
 Unscaled step for mode   92=        0.0000003255
 Unscaled step for mode   93=        0.0000002669
 Unscaled step for mode   94=        0.0000000585
 Unscaled step for mode   95=        0.0000002176
 Unscaled step for mode   96=       -0.0000001624
 Unscaled step for mode   97=       -0.0000003563
 Unscaled step for mode   98=        0.0000000063
 Unscaled step for mode   99=       -0.0000002576
 Unscaled step for mode  100=       -0.0000000851
 Unscaled step for mode  101=       -0.0000016450
 Unscaled step for mode  102=       -0.0000000122
 Unscaled step for mode  103=        0.0000002850
 Unscaled step for mode  104=        0.0000001683
 Unscaled step for mode  105=       -0.0000009624
 Unscaled step for mode  106=       -0.0000006810
 Unscaled step for mode  107=       -0.0000076740
 Unscaled step for mode  108=       -0.0000395975
 Unscaled step for mode  109=        0.0000011843
 Unscaled step for mode  110=        0.0008565027
 Unscaled step for mode  111=       -0.0000014284
 Unscaled step for mode  112=       -0.0039116053
 Unscaled step for mode  113=        0.0151920478
 Unscaled step for mode  114=       -0.2649828407
 Largest modulus ratio of non-zero e/values=           233.1542676    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.220744E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.204952E-14    0.100664E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.152867E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.278206E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.700422E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.232895E-14    0.974263E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.811111E-06    0.746316E+03  0.108682E-08 0.100000E-04    0.872437E+00
   8   -0.183156E-05    0.674215E+03  0.271659E-08 0.100000E-04    0.981576E+00
   9   -0.273414E-05    0.630470E+03  0.433667E-08 0.100000E-04    0.967853E+00
  10   -0.446446E-06    0.600899E+03  0.742964E-09 0.100000E-04    0.426301E+00
  11   -0.909080E-09    0.586455E+03  0.155013E-11 0.109000E-04    0.130996E-01
  12   -0.418564E-05    0.578873E+03  0.723067E-08 0.100000E-04    0.978477E+00
  13   -0.362717E-06    0.565248E+03  0.641695E-09 0.100000E-04    0.984667E+00
  14    0.224970E-05    0.487435E+03 -0.461539E-08 0.100000E-04    0.983424E+00
  15   -0.118494E-05    0.460740E+03  0.257182E-08 0.100000E-04    0.876435E+00
  16   -0.801848E-06    0.459853E+03  0.174371E-08 0.100000E-04    0.693223E+00
  17   -0.260071E-05    0.441712E+03  0.588781E-08 0.100000E-04    0.887129E+00
  18   -0.120561E-05    0.429212E+03  0.280888E-08 0.100000E-04    0.875796E+00
  19   -0.561884E-06    0.421988E+03  0.133152E-08 0.100000E-04    0.590565E+00
  20   -0.144443E-05    0.408107E+03  0.353935E-08 0.100000E-04    0.902112E+00
  21   -0.141327E-05    0.396398E+03  0.356528E-08 0.100000E-04    0.884512E+00
  22   -0.234397E-05    0.387612E+03  0.604720E-08 0.100000E-04    0.938877E+00
  23    0.335711E-05    0.369969E+03 -0.907402E-08 0.100000E-04    0.937152E+00
  24   -0.137242E-05    0.360537E+03  0.380661E-08 0.100000E-04    0.947864E+00
  25   -0.120532E-05    0.349399E+03  0.344971E-08 0.100000E-04    0.743921E+00
  26   -0.191745E-06    0.335276E+03  0.571902E-09 0.100000E-04    0.233859E+00
  27    0.133792E-05    0.329210E+03 -0.406404E-08 0.100000E-04    0.623824E+00
  28   -0.157291E-05    0.321872E+03  0.488675E-08 0.100000E-04    0.769978E+00
  29    0.637055E-06    0.319045E+03 -0.199676E-08 0.100000E-04    0.395014E+01
  30   -0.731157E-05    0.309556E+03  0.236196E-07 0.100000E-04    0.998825E+00
  31   -0.552164E-05    0.300873E+03  0.183520E-07 0.100000E-04    0.984908E+00
  32   -0.536269E-05    0.290549E+03  0.184571E-07 0.100000E-04    0.992634E+00
  33   -0.629424E-06    0.278836E+03  0.225733E-08 0.100000E-04    0.748347E+00
  34    0.248374E-06    0.272679E+03 -0.910866E-09 0.100000E-04    0.986999E+00
  35    0.469062E-05    0.268491E+03 -0.174703E-07 0.100000E-04    0.969781E+00
  36    0.624745E-05    0.264920E+03 -0.235824E-07 0.100000E-04    0.950003E+00
  37   -0.138465E-05    0.263724E+03  0.525039E-08 0.100000E-04    0.664065E+00
  38    0.278597E-06    0.253245E+03 -0.110011E-08 0.100000E-04    0.738342E+00
  39   -0.108666E-05    0.241517E+03  0.449930E-08 0.100000E-04    0.683343E+00
  40   -0.560654E-05    0.240748E+03  0.232880E-07 0.100000E-04    0.931206E+00
  41   -0.460883E-05    0.233927E+03  0.197020E-07 0.100000E-04    0.882538E+00
  42   -0.796674E-05    0.227501E+03  0.350186E-07 0.100000E-04    0.997759E+00
  43   -0.948212E-06    0.217060E+03  0.436844E-08 0.100000E-04    0.933152E+00
  44   -0.916907E-05    0.214885E+03  0.426697E-07 0.100000E-04    0.966003E+00
  45    0.290254E-05    0.213262E+03 -0.136102E-07 0.100000E-04    0.912041E+00
  46    0.498716E-05    0.207622E+03 -0.240204E-07 0.100000E-04    0.923081E+00
  47   -0.396212E-05    0.203028E+03  0.195151E-07 0.100000E-04    0.961074E+00
  48   -0.466117E-05    0.195523E+03  0.238395E-07 0.100000E-04    0.898685E+00
  49    0.532512E-05    0.194819E+03 -0.273337E-07 0.100000E-04    0.969445E+00
  50    0.774821E-05    0.191342E+03 -0.404940E-07 0.100000E-04    0.890552E+00
  51    0.282644E-06    0.182911E+03 -0.154525E-08 0.100000E-04    0.130164E+02
  52   -0.205128E-05    0.174280E+03  0.117700E-07 0.100000E-04    0.836244E+00
  53   -0.994074E-06    0.172307E+03  0.576920E-08 0.100000E-04    0.784132E+00
  54    0.225348E-05    0.168198E+03 -0.133978E-07 0.100000E-04    0.861331E+00
  55    0.456340E-05    0.163271E+03 -0.279499E-07 0.100000E-04    0.939286E+00
  56    0.421381E-05    0.156896E+03 -0.268573E-07 0.100000E-04    0.991947E+00
  57   -0.620335E-06    0.154882E+03  0.400522E-08 0.100000E-04    0.172019E+01
  58    0.480212E-05    0.152269E+03 -0.315371E-07 0.100000E-04    0.934614E+00
  59    0.171172E-05    0.146721E+03 -0.116665E-07 0.100000E-04    0.930768E+00
  60   -0.599989E-06    0.143391E+03  0.418428E-08 0.100000E-04    0.549978E+00
  61    0.448674E-05    0.138042E+03 -0.325026E-07 0.100000E-04    0.648548E+00
  62   -0.375730E-05    0.135871E+03  0.276534E-07 0.100000E-04    0.976106E+00
  63    0.101119E-04    0.130322E+03 -0.775922E-07 0.100000E-04    0.911835E+00
  64   -0.710930E-06    0.128814E+03  0.551903E-08 0.100000E-04    0.346583E+00
  65    0.523999E-05    0.126873E+03 -0.413010E-07 0.100000E-04    0.811248E+00
  66    0.321641E-05    0.124177E+03 -0.259018E-07 0.100000E-04    0.881211E+00
  67    0.820640E-05    0.119993E+03 -0.683909E-07 0.100000E-04    0.999135E+00
  68    0.102069E-05    0.118166E+03 -0.863777E-08 0.100000E-04    0.795504E+00
  69    0.232730E-06    0.116889E+03 -0.199103E-08 0.100000E-04    0.421332E+00
  70    0.777164E-05    0.110347E+03 -0.704289E-07 0.100000E-04    0.991373E+00
  71    0.272459E-05    0.106867E+03 -0.254951E-07 0.100000E-04    0.909229E+00
  72    0.308041E-05    0.104414E+03 -0.295019E-07 0.100000E-04    0.641016E+00
  73   -0.313788E-06    0.102838E+03  0.305127E-08 0.100000E-04    0.228916E+01
  74    0.147445E-05    0.995423E+02 -0.148122E-07 0.100000E-04    0.819252E+00
  75    0.150579E-05    0.961020E+02 -0.156687E-07 0.100000E-04    0.522686E+00
  76    0.225000E-05    0.941276E+02 -0.239037E-07 0.100000E-04    0.945435E+00
  77    0.775819E-05    0.920159E+02 -0.843135E-07 0.100000E-04    0.884257E+00
  78    0.181989E-06    0.911966E+02 -0.199557E-08 0.100000E-04    0.500775E+00
  79   -0.195285E-05    0.884631E+02  0.220753E-07 0.100000E-04    0.998221E+00
  80    0.307366E-05    0.855792E+02 -0.359160E-07 0.100000E-04    0.985263E+00
  81    0.596258E-05    0.808236E+02 -0.737727E-07 0.100000E-04    0.943170E+00
  82    0.618359E-05    0.804516E+02 -0.768610E-07 0.100000E-04    0.978941E+00
  83   -0.176675E-05    0.779631E+02  0.226613E-07 0.100000E-04    0.852922E+00
  84    0.309269E-05    0.733093E+02 -0.421869E-07 0.100000E-04    0.210788E+00
  85    0.106724E-04    0.726118E+02 -0.146979E-06 0.100000E-04    0.895198E+00
  86   -0.150729E-05    0.679418E+02  0.221850E-07 0.109000E-04    0.147296E+00
  87    0.534372E-05    0.647939E+02 -0.824726E-07 0.100000E-04    0.603056E+00
  88    0.498197E-05    0.614000E+02 -0.811396E-07 0.100000E-04    0.909051E+00
  89   -0.978031E-05    0.598569E+02  0.163395E-06 0.100000E-04    0.983789E+00
  90    0.670314E-05    0.593940E+02 -0.112859E-06 0.100000E-04    0.966545E+00
  91   -0.125092E-04    0.581524E+02  0.215111E-06 0.100000E-04    0.829117E+00
  92   -0.181855E-04    0.558739E+02  0.325474E-06 0.100000E-04    0.984169E+00
  93   -0.140031E-04    0.524652E+02  0.266903E-06 0.100000E-04    0.975792E+00
  94   -0.304398E-05    0.520577E+02  0.584733E-07 0.100000E-04    0.751343E+00
  95   -0.109191E-04    0.501801E+02  0.217598E-06 0.100000E-04    0.908592E+00
  96    0.750704E-05    0.462275E+02 -0.162393E-06 0.100000E-04    0.878297E+00
  97    0.154326E-04    0.433170E+02 -0.356272E-06 0.100000E-04    0.842907E+00
  98   -0.257252E-06    0.408976E+02  0.629016E-08 0.109000E-04    0.173067E+00
  99    0.975584E-05    0.378783E+02 -0.257558E-06 0.100000E-04    0.568670E+00
 100    0.308340E-05    0.362463E+02 -0.850679E-07 0.109000E-04    0.952187E-01
 101    0.531660E-04    0.323189E+02 -0.164504E-05 0.100000E-04    0.940191E+00
 102    0.351699E-06    0.288691E+02 -0.121825E-07 0.109000E-04    0.150237E+00
 103   -0.810845E-05    0.284499E+02  0.285008E-06 0.100000E-04    0.961202E+00
 104   -0.442287E-05    0.262853E+02  0.168264E-06 0.100000E-04    0.726771E+01
 105    0.224416E-04    0.233181E+02 -0.962413E-06 0.100000E-04    0.858506E+00
 106    0.145149E-04    0.213142E+02 -0.680998E-06 0.100000E-04    0.897984E+00
 107    0.152413E-03    0.198610E+02 -0.767397E-05 0.100000E-04    0.592912E+00
 108    0.652605E-03    0.164810E+02 -0.100000E-04 0.100000E-04    0.676227E+00
 109   -0.164606E-04    0.138988E+02  0.118432E-05 0.100000E-04    0.981309E+00
 110   -0.104812E-01    0.122372E+02  0.100000E-04 0.100000E-04    0.405081E+00
 111    0.144139E-04    0.100911E+02 -0.142838E-05 0.100000E-04    0.870644E+00
 112    0.348892E-01    0.891928E+01 -0.120056E-04 0.120056E-04    0.258868E+00
 113   -0.872480E-01    0.574168E+01  0.937289E-04 0.937289E-04    0.242138E+00
 114   -0.912252E+00    0.320095E+01 -0.402675E-04 0.402675E-04    0.750532E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.9372887614E-04    0.2649828407    

 Beginning of optimization cycle  524.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3001779857
 potential> RMS force:                                               0.0859045919   |gradient|=.9172100503    
 Eigenvalues of the Hessian matrix:
   746.33208    674.20820    630.47897    600.89350    586.45095    578.87601 
   565.23446    487.43407    460.73659    459.84953    441.70881    429.21885 
   421.98727    408.10175    396.39630    387.60908    369.97054    360.53791 
   349.39809    335.27889    329.21369    321.87056    319.04971    309.55114 
   300.87214    290.55098    278.84190    272.68177    268.49377    264.92169 
   263.72837    253.24441    241.51965    240.75016    233.92990    227.50292 
   217.06274    214.88475    213.26090    207.62404    203.02629    195.51945 
   194.82084    191.34312    182.91363    174.28347    172.30758    168.19990 
   163.26863    156.89493    154.88364    152.26854    146.71850    143.38913 
   138.04468    135.87132    130.32020    128.81539    126.87379    124.17243 
   119.99313    118.16632    116.88714    110.34798    106.86593    104.41467 
   102.83839     99.54126     96.10117     94.12627     92.01390     91.19803 
    88.46099     85.58041     80.82375     80.45397     77.96215     73.30818 
    72.60920     67.93970     64.79157     61.39775     59.85581     59.39361 
    58.15110     55.87282     52.46436     52.05597     50.18195     46.22512 
    43.31846     40.89791     37.87734     36.24325     32.31701     28.87013 
    28.44992     26.28599     23.31840     21.31420     19.86044     16.48023 
    13.89896     12.23722     10.09102      8.92405      5.74177      3.19987 
overlap for current and previous eigenvector    109 is         0.9999998679
overlap for current and previous eigenvector    110 is         0.9999999742
overlap for current and previous eigenvector    111 is        -0.9999996936
overlap for current and previous eigenvector    112 is         0.9999993718
overlap for current and previous eigenvector    113 is         0.9999990978
overlap for current and previous eigenvector    114 is         0.9999994062
J1,K1,R1,R2,RAT=   7   7    0.7627589183E-01     1.923679819        0.9236798186    
FOB,PFOB,DIAG,PSTEP=   -0.7492411783E-06   -0.8111107438E-06     746.3320776        0.1086820104E-08
J1,K1,R1,R2,RAT=   8   8    0.1051581100         1.894861449        0.8948418900    
FOB,PFOB,DIAG,PSTEP=   -0.1638962174E-05   -0.1831564111E-05     674.2081994        0.2716588439E-08
J1,K1,R1,R2,RAT=   9   9    0.1132014902         1.886769589        0.8867695888    
FOB,PFOB,DIAG,PSTEP=   -0.2424625282E-05   -0.2734138286E-05     630.4789718        0.4336667748E-08
J1,K1,R1,R2,RAT=  10  10    0.1681518537         1.831865047        0.8318481463    
FOB,PFOB,DIAG,PSTEP=   -0.3713759633E-06   -0.4464460618E-06     600.8935037        0.7429640800E-09
J1,K1,R1,R2,RAT=  11  11    -24.17728644         26.17729971         23.17728644    
FOB,PFOB,DIAG,PSTEP=   -0.2288801724E-07   -0.9090798249E-09     586.4509519        0.1550127572E-11
J1,K1,R1,R2,RAT= 109 109    0.4345145979E-01     1.956522430        0.9565224299    
FOB,PFOB,DIAG,PSTEP=   -0.1574532318E-04   -0.1646056824E-04     13.89895857        0.1184317735E-05
J1,K1,R1,R2,RAT= 110 110     1.368975316         169.9312548        0.3689753156    
FOB,PFOB,DIAG,PSTEP=   -0.1031367062E-01   -0.1048119517E-01     12.23722253        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111     1.839523137        0.1604843942        0.8395156058    
FOB,PFOB,DIAG,PSTEP=   -0.1210071000E-04    0.1441390869E-04     10.09102204       -0.1428383998E-05
J1,K1,R1,R2,RAT= 112 112   -0.7609924240         652.0509275        0.2390075760    
FOB,PFOB,DIAG,PSTEP=    0.3497075732E-01    0.3488922547E-01     8.924049368       -0.1200563106E-04
J1,K1,R1,R2,RAT= 113 113   -0.7517237865         324.9914613        0.2482762135    
FOB,PFOB,DIAG,PSTEP=   -0.8765253433E-01   -0.8724797947E-01     5.741769116        0.9372887614E-04
J1,K1,R1,R2,RAT= 114 114    0.2473628432        -14160.06439        0.7526371568    
FOB,PFOB,DIAG,PSTEP=   -0.9122837395       -0.9122518666         3.199872374       -0.4026748059E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00001 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00001 
    -0.00000     -0.00000     -0.00000     -0.00001     -0.00000     -0.00001 
    -0.00000     -0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00001      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00001      0.00000     -0.00000      0.00000 
    -0.00001      0.00000     -0.00000     -0.00001     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001     -0.00001      0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00000     -0.00001      0.00001 
    -0.00001     -0.00002     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00001      0.00000     -0.00001     -0.00000      0.00005     -0.00000 
    -0.00001      0.00000     -0.00002      0.00001     -0.00011     -0.00059 
    -0.00002     -0.01031     -0.00001      0.03497     -0.08765     -0.91228 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846414876
 Log product of positive Hessian eigenvalues =          519.0684987632
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1998723743
 Unscaled step for mode    7=        0.0000000010
 Unscaled step for mode    8=        0.0000000024
 Unscaled step for mode    9=        0.0000000038
 Unscaled step for mode   10=        0.0000000006
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000066
 Unscaled step for mode   13=        0.0000000005
 Unscaled step for mode   14=       -0.0000000042
 Unscaled step for mode   15=        0.0000000023
 Unscaled step for mode   16=        0.0000000016
 Unscaled step for mode   17=        0.0000000052
 Unscaled step for mode   18=        0.0000000025
 Unscaled step for mode   19=        0.0000000011
 Unscaled step for mode   20=        0.0000000034
 Unscaled step for mode   21=        0.0000000032
 Unscaled step for mode   22=        0.0000000055
 Unscaled step for mode   23=       -0.0000000082
 Unscaled step for mode   24=        0.0000000034
 Unscaled step for mode   25=        0.0000000030
 Unscaled step for mode   26=        0.0000000006
 Unscaled step for mode   27=       -0.0000000038
 Unscaled step for mode   28=        0.0000000043
 Unscaled step for mode   29=       -0.0000000019
 Unscaled step for mode   30=        0.0000000212
 Unscaled step for mode   31=        0.0000000164
 Unscaled step for mode   32=        0.0000000168
 Unscaled step for mode   33=        0.0000000019
 Unscaled step for mode   34=       -0.0000000008
 Unscaled step for mode   35=       -0.0000000156
 Unscaled step for mode   36=       -0.0000000213
 Unscaled step for mode   37=        0.0000000046
 Unscaled step for mode   38=        0.0000000010
 Unscaled step for mode   39=        0.0000000041
 Unscaled step for mode   40=        0.0000000208
 Unscaled step for mode   41=        0.0000000177
 Unscaled step for mode   42=        0.0000000315
 Unscaled step for mode   43=        0.0000000038
 Unscaled step for mode   44=        0.0000000382
 Unscaled step for mode   45=       -0.0000000120
 Unscaled step for mode   46=       -0.0000000218
 Unscaled step for mode   47=        0.0000000175
 Unscaled step for mode   48=        0.0000000211
 Unscaled step for mode   49=       -0.0000000245
 Unscaled step for mode   50=       -0.0000000367
 Unscaled step for mode   51=       -0.0000000017
 Unscaled step for mode   52=        0.0000000102
 Unscaled step for mode   53=       -0.0000000053
 Unscaled step for mode   54=        0.0000000121
 Unscaled step for mode   55=       -0.0000000254
 Unscaled step for mode   56=        0.0000000238
 Unscaled step for mode   57=       -0.0000000036
 Unscaled step for mode   58=        0.0000000284
 Unscaled step for mode   59=       -0.0000000102
 Unscaled step for mode   60=       -0.0000000040
 Unscaled step for mode   61=        0.0000000289
 Unscaled step for mode   62=       -0.0000000242
 Unscaled step for mode   63=        0.0000000695
 Unscaled step for mode   64=       -0.0000000049
 Unscaled step for mode   65=        0.0000000366
 Unscaled step for mode   66=       -0.0000000237
 Unscaled step for mode   67=        0.0000000608
 Unscaled step for mode   68=       -0.0000000074
 Unscaled step for mode   69=        0.0000000015
 Unscaled step for mode   70=        0.0000000632
 Unscaled step for mode   71=        0.0000000231
 Unscaled step for mode   72=       -0.0000000253
 Unscaled step for mode   73=        0.0000000022
 Unscaled step for mode   74=        0.0000000146
 Unscaled step for mode   75=       -0.0000000129
 Unscaled step for mode   76=       -0.0000000206
 Unscaled step for mode   77=        0.0000000776
 Unscaled step for mode   78=        0.0000000023
 Unscaled step for mode   79=        0.0000000200
 Unscaled step for mode   80=        0.0000000319
 Unscaled step for mode   81=        0.0000000650
 Unscaled step for mode   82=        0.0000000673
 Unscaled step for mode   83=       -0.0000000192
 Unscaled step for mode   84=       -0.0000000377
 Unscaled step for mode   85=       -0.0000001346
 Unscaled step for mode   86=        0.0000000197
 Unscaled step for mode   87=       -0.0000000746
 Unscaled step for mode   88=       -0.0000000762
 Unscaled step for mode   89=        0.0000001471
 Unscaled step for mode   90=       -0.0000000977
 Unscaled step for mode   91=        0.0000001925
 Unscaled step for mode   92=        0.0000002903
 Unscaled step for mode   93=        0.0000002378
 Unscaled step for mode   94=        0.0000000541
 Unscaled step for mode   95=       -0.0000001982
 Unscaled step for mode   96=        0.0000001474
 Unscaled step for mode   97=        0.0000003211
 Unscaled step for mode   98=       -0.0000000078
 Unscaled step for mode   99=        0.0000002382
 Unscaled step for mode  100=        0.0000000774
 Unscaled step for mode  101=       -0.0000014825
 Unscaled step for mode  102=        0.0000000001
 Unscaled step for mode  103=        0.0000002540
 Unscaled step for mode  104=       -0.0000001337
 Unscaled step for mode  105=        0.0000008636
 Unscaled step for mode  106=       -0.0000006096
 Unscaled step for mode  107=        0.0000053394
 Unscaled step for mode  108=        0.0000356855
 Unscaled step for mode  109=        0.0000011328
 Unscaled step for mode  110=        0.0008428108
 Unscaled step for mode  111=        0.0000011992
 Unscaled step for mode  112=       -0.0039186494
 Unscaled step for mode  113=        0.0152622154
 Unscaled step for mode  114=       -0.2650685322
 Largest modulus ratio of non-zero e/values=           233.2380765    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.479759E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.234714E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.931330E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.450161E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.170845E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.297249E-14    0.974264E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.749241E-06    0.746332E+03  0.100390E-08 0.100000E-04    0.923680E+00
   8   -0.163896E-05    0.674208E+03  0.243094E-08 0.100000E-04    0.894842E+00
   9   -0.242463E-05    0.630479E+03  0.384569E-08 0.100000E-04    0.886770E+00
  10   -0.371376E-06    0.600894E+03  0.618040E-09 0.100000E-04    0.831848E+00
  11   -0.228880E-07    0.586451E+03  0.390280E-10 0.100000E-04    0.231773E+02
  12   -0.379483E-05    0.578876E+03  0.655551E-08 0.100000E-04    0.906619E+00
  13   -0.309590E-06    0.565234E+03  0.547720E-09 0.100000E-04    0.853528E+00
  14    0.206480E-05    0.487434E+03 -0.423605E-08 0.100000E-04    0.917809E+00
  15   -0.105907E-05    0.460737E+03  0.229865E-08 0.100000E-04    0.893773E+00
  16   -0.718409E-06    0.459850E+03  0.156227E-08 0.100000E-04    0.895941E+00
  17   -0.230773E-05    0.441709E+03  0.522455E-08 0.100000E-04    0.887344E+00
  18   -0.108912E-05    0.429219E+03  0.253744E-08 0.100000E-04    0.903346E+00
  19   -0.453556E-06    0.421987E+03  0.107481E-08 0.100000E-04    0.807205E+00
  20   -0.137011E-05    0.408102E+03  0.335728E-08 0.100000E-04    0.948547E+00
  21   -0.125238E-05    0.396396E+03  0.315943E-08 0.100000E-04    0.886160E+00
  22   -0.211521E-05    0.387609E+03  0.545706E-08 0.100000E-04    0.902402E+00
  23    0.303596E-05    0.369971E+03 -0.820595E-08 0.100000E-04    0.904330E+00
  24   -0.123884E-05    0.360538E+03  0.343608E-08 0.100000E-04    0.902657E+00
  25   -0.105772E-05    0.349398E+03  0.302727E-08 0.100000E-04    0.877542E+00
  26   -0.211867E-06    0.335279E+03  0.631913E-09 0.100000E-04    0.895060E+00
  27    0.124078E-05    0.329214E+03 -0.376891E-08 0.100000E-04    0.927370E+00
  28   -0.138455E-05    0.321871E+03  0.430157E-08 0.100000E-04    0.880247E+00
  29    0.592288E-06    0.319050E+03 -0.185641E-08 0.100000E-04    0.929700E+00
  30   -0.654733E-05    0.309551E+03  0.211510E-07 0.100000E-04    0.895474E+00
  31   -0.492932E-05    0.300872E+03  0.163835E-07 0.100000E-04    0.892728E+00
  32   -0.488879E-05    0.290551E+03  0.168259E-07 0.100000E-04    0.911619E+00
  33   -0.532544E-06    0.278842E+03  0.190984E-08 0.100000E-04    0.846041E+00
  34    0.224384E-06    0.272682E+03 -0.822879E-09 0.100000E-04    0.903392E+00
  35    0.419260E-05    0.268494E+03 -0.156153E-07 0.100000E-04    0.893805E+00
  36    0.565349E-05    0.264922E+03 -0.213402E-07 0.100000E-04    0.904916E+00
  37   -0.121600E-05    0.263728E+03  0.461080E-08 0.100000E-04    0.878166E+00
  38   -0.262043E-06    0.253244E+03  0.103474E-08 0.100000E-04    0.940581E+00
  39   -0.998763E-06    0.241520E+03  0.413533E-08 0.100000E-04    0.919095E+00
  40   -0.501760E-05    0.240750E+03  0.208415E-07 0.100000E-04    0.894936E+00
  41   -0.413357E-05    0.233930E+03  0.176701E-07 0.100000E-04    0.896855E+00
  42   -0.717442E-05    0.227503E+03  0.315355E-07 0.100000E-04    0.900527E+00
  43   -0.825617E-06    0.217063E+03  0.380359E-08 0.100000E-04    0.870682E+00
  44   -0.821234E-05    0.214885E+03  0.382174E-07 0.100000E-04    0.895657E+00
  45    0.255721E-05    0.213261E+03 -0.119910E-07 0.100000E-04    0.881024E+00
  46    0.452003E-05    0.207624E+03 -0.217702E-07 0.100000E-04    0.906314E+00
  47   -0.355663E-05    0.203026E+03  0.175181E-07 0.100000E-04    0.897659E+00
  48   -0.411596E-05    0.195519E+03  0.210514E-07 0.100000E-04    0.883030E+00
  49    0.477766E-05    0.194821E+03 -0.245234E-07 0.100000E-04    0.897175E+00
  50    0.702155E-05    0.191343E+03 -0.366961E-07 0.100000E-04    0.906208E+00
  51    0.308122E-06    0.182914E+03 -0.168452E-08 0.100000E-04    0.909861E+00
  52   -0.178611E-05    0.174283E+03  0.102483E-07 0.100000E-04    0.870698E+00
  53    0.912100E-06    0.172308E+03 -0.529344E-08 0.100000E-04    0.917531E+00
  54   -0.203265E-05    0.168200E+03  0.120847E-07 0.100000E-04    0.901982E+00
  55    0.414157E-05    0.163269E+03 -0.253666E-07 0.100000E-04    0.907561E+00
  56   -0.372877E-05    0.156895E+03  0.237660E-07 0.100000E-04    0.884891E+00
  57    0.550452E-06    0.154884E+03 -0.355397E-08 0.100000E-04    0.887322E+00
  58   -0.432145E-05    0.152269E+03  0.283805E-07 0.100000E-04    0.899904E+00
  59    0.149398E-05    0.146719E+03 -0.101826E-07 0.100000E-04    0.872796E+00
  60    0.572293E-06    0.143389E+03 -0.399119E-08 0.100000E-04    0.953839E+00
  61   -0.399620E-05    0.138045E+03  0.289486E-07 0.100000E-04    0.890638E+00
  62    0.328731E-05    0.135871E+03 -0.241943E-07 0.100000E-04    0.874912E+00
  63   -0.905685E-05    0.130320E+03  0.694969E-07 0.100000E-04    0.895658E+00
  64    0.630015E-06    0.128815E+03 -0.489084E-08 0.100000E-04    0.886170E+00
  65   -0.464492E-05    0.126874E+03  0.366105E-07 0.100000E-04    0.886429E+00
  66    0.294510E-05    0.124172E+03 -0.237179E-07 0.100000E-04    0.915647E+00
  67   -0.729671E-05    0.119993E+03  0.608094E-07 0.100000E-04    0.889141E+00
  68    0.879104E-06    0.118166E+03 -0.743955E-08 0.100000E-04    0.861281E+00
  69   -0.174446E-06    0.116887E+03  0.149243E-08 0.100000E-04    0.749557E+00
  70   -0.697683E-05    0.110348E+03  0.632257E-07 0.100000E-04    0.897719E+00
  71   -0.246817E-05    0.106866E+03  0.230960E-07 0.100000E-04    0.905885E+00
  72    0.263804E-05    0.104415E+03 -0.252651E-07 0.100000E-04    0.856383E+00
  73   -0.227724E-06    0.102838E+03  0.221439E-08 0.100000E-04    0.725726E+00
  74   -0.145028E-05    0.995413E+02  0.145696E-07 0.100000E-04    0.983607E+00
  75    0.123530E-05    0.961012E+02 -0.128541E-07 0.100000E-04    0.820363E+00
  76    0.193985E-05    0.941263E+02 -0.206090E-07 0.100000E-04    0.862155E+00
  77   -0.714428E-05    0.920139E+02  0.776435E-07 0.100000E-04    0.920868E+00
  78   -0.211523E-06    0.911980E+02  0.231938E-08 0.100000E-04    0.837720E+00
  79   -0.177336E-05    0.884610E+02  0.200469E-07 0.100000E-04    0.908088E+00
  80   -0.273323E-05    0.855804E+02  0.319376E-07 0.100000E-04    0.889217E+00
  81   -0.525176E-05    0.808238E+02  0.649779E-07 0.100000E-04    0.880784E+00
  82   -0.541101E-05    0.804540E+02  0.672560E-07 0.100000E-04    0.875004E+00
  83    0.149357E-05    0.779622E+02 -0.191577E-07 0.100000E-04    0.845379E+00
  84    0.276424E-05    0.733082E+02 -0.377071E-07 0.100000E-04    0.893796E+00
  85    0.977215E-05    0.726092E+02 -0.134586E-06 0.100000E-04    0.915643E+00
  86   -0.134088E-05    0.679397E+02  0.197364E-07 0.100000E-04    0.889596E+00
  87    0.483527E-05    0.647916E+02 -0.746280E-07 0.100000E-04    0.904847E+00
  88    0.468068E-05    0.613978E+02 -0.762353E-07 0.100000E-04    0.939521E+00
  89   -0.880519E-05    0.598558E+02  0.147107E-06 0.100000E-04    0.900296E+00
  90    0.580080E-05    0.593936E+02 -0.976672E-07 0.100000E-04    0.865385E+00
  91   -0.111919E-04    0.581511E+02  0.192462E-06 0.100000E-04    0.894689E+00
  92   -0.162204E-04    0.558728E+02  0.290309E-06 0.100000E-04    0.891938E+00
  93   -0.124785E-04    0.524644E+02  0.237848E-06 0.100000E-04    0.891125E+00
  94   -0.281855E-05    0.520560E+02  0.541445E-07 0.100000E-04    0.925938E+00
  95    0.994772E-05    0.501820E+02 -0.198233E-06 0.100000E-04    0.910967E+00
  96   -0.681353E-05    0.462251E+02  0.147399E-06 0.100000E-04    0.907614E+00
  97   -0.139117E-04    0.433185E+02  0.321150E-06 0.100000E-04    0.901383E+00
  98    0.320006E-06    0.408979E+02 -0.782451E-08 0.100000E-04    0.756064E+00
  99   -0.902089E-05    0.378773E+02  0.238161E-06 0.100000E-04    0.924664E+00
 100   -0.280514E-05    0.362433E+02  0.773975E-07 0.100000E-04    0.909747E+00
 101    0.479108E-04    0.323170E+02 -0.148253E-05 0.100000E-04    0.901149E+00
 102   -0.238010E-08    0.288701E+02  0.824417E-10 0.118810E-04    0.673215E-02
 103   -0.722705E-05    0.284499E+02  0.254027E-06 0.100000E-04    0.891297E+00
 104    0.351324E-05    0.262860E+02 -0.133654E-06 0.100000E-04    0.794289E+00
 105   -0.201376E-04    0.233184E+02  0.863595E-06 0.100000E-04    0.897310E+00
 106    0.129942E-04    0.213142E+02 -0.609648E-06 0.100000E-04    0.895226E+00
 107   -0.106042E-03    0.198604E+02  0.533935E-05 0.100000E-04    0.695747E+00
 108   -0.588105E-03    0.164802E+02  0.100000E-04 0.100000E-04    0.608619E+00
 109   -0.157453E-04    0.138990E+02  0.113284E-05 0.100000E-04    0.956522E+00
 110   -0.103137E-01    0.122372E+02  0.100000E-04 0.100000E-04    0.368975E+00
 111   -0.121007E-04    0.100910E+02  0.119916E-05 0.100000E-04    0.839516E+00
 112    0.349708E-01    0.892405E+01 -0.108159E-04 0.108159E-04    0.239008E+00
 113   -0.876525E-01    0.574177E+01  0.844404E-04 0.844404E-04    0.248276E+00
 114   -0.912284E+00    0.319987E+01 -0.362770E-04 0.362770E-04    0.752637E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.8444042895E-04    0.2650685322    

 Beginning of optimization cycle  525.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3001527553
 potential> RMS force:                                               0.0859105842   |gradient|=.9172740307    
 Eigenvalues of the Hessian matrix:
   746.34740    674.20257    630.48740    600.88895    586.44760    578.87914 
   565.22197    487.43334    460.73314    459.84676    441.70631    429.22522 
   421.98625    408.09733    396.39477    387.60622    369.97168    360.53871 
   349.39765    335.28114    329.21663    321.86906    319.05384    309.54698 
   300.87101    290.55266    278.84737    272.68436    268.49643    264.92323 
   263.73243    253.24376    241.52178    240.75239    233.93291    227.50498 
   217.06559    214.88463    213.26014    207.62595    203.02481    195.51647 
   194.82245    191.34375    182.91581    174.28629    172.30809    168.20146 
   163.26669    156.89368    154.88530    152.26835    146.71621    143.38734 
   138.04669    135.87128    130.31885    128.81631    126.87422    124.16840 
   119.99357    118.16635    116.88512    110.34854    106.86467    104.41520 
   102.83842     99.54025     96.10044     94.12503     92.01212     91.19934 
    88.45911     85.58141     80.82386     80.45607     77.96129     73.30711 
    72.60678     67.93783     64.78950     61.39582     59.85477     59.39324 
    58.14994     55.87180     52.46361     52.05441     50.18362     46.22289 
    43.31975     40.89818     37.87647     36.24045     32.31529     28.87105 
    28.44997     26.28658     23.31872     21.31418     19.86001     16.47957 
    13.89912     12.23728     10.09101      8.92839      5.74185      3.19890 
overlap for current and previous eigenvector    109 is         0.9999998918
overlap for current and previous eigenvector    110 is         0.9999999785
overlap for current and previous eigenvector    111 is         0.9999997477
overlap for current and previous eigenvector    112 is         0.9999994774
overlap for current and previous eigenvector    113 is         0.9999992697
overlap for current and previous eigenvector    114 is         0.9999995269
J1,K1,R1,R2,RAT=   7   7    0.6173774630E-01     1.938221188        0.9382211878    
FOB,PFOB,DIAG,PSTEP=   -0.7029837667E-06   -0.7492411783E-06     746.3474023        0.1003897864E-08
J1,K1,R1,R2,RAT=   8   8    0.1066170427         1.893399669        0.8933829573    
FOB,PFOB,DIAG,PSTEP=   -0.1464222334E-05   -0.1638962174E-05     674.2025659        0.2430943699E-08
J1,K1,R1,R2,RAT=   9   9    0.1123029350         1.887670318        0.8876703181    
FOB,PFOB,DIAG,PSTEP=   -0.2152329105E-05   -0.2424625282E-05     630.4874036        0.3845687786E-08
J1,K1,R1,R2,RAT=  10  10    0.1735326153         1.826482536        0.8264673847    
FOB,PFOB,DIAG,PSTEP=   -0.3069306094E-06   -0.3713759633E-06     600.8889514        0.6180395712E-09
J1,K1,R1,R2,RAT=  11  11   -0.7893897272         2.789401145        0.2106102728    
FOB,PFOB,DIAG,PSTEP=   -0.4095547978E-07   -0.2288801724E-07     586.4476039        0.3902801618E-10
J1,K1,R1,R2,RAT= 109 109    0.2824995993E-01     1.971726949        0.9717269489    
FOB,PFOB,DIAG,PSTEP=   -0.1530051330E-04   -0.1574532318E-04     13.89911905        0.1132841939E-05
J1,K1,R1,R2,RAT= 110 110     1.335629541         167.2258855        0.3356295408    
FOB,PFOB,DIAG,PSTEP=   -0.1015022592E-01   -0.1031367062E-01     12.23727802        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.2085953721         1.791406969        0.7914046279    
FOB,PFOB,DIAG,PSTEP=   -0.9576560847E-05   -0.1210071000E-04     10.09101023        0.1199156036E-05
J1,K1,R1,R2,RAT= 112 112   -0.7835312191         725.0525361        0.2164687809    
FOB,PFOB,DIAG,PSTEP=    0.3504642169E-01    0.3497075732E-01     8.928389309       -0.1081588384E-04
J1,K1,R1,R2,RAT= 113 113   -0.7335886099         362.3032073        0.2664113901    
FOB,PFOB,DIAG,PSTEP=   -0.8800821079E-01   -0.8765253433E-01     5.741853548        0.8444042895E-04
J1,K1,R1,R2,RAT= 114 114    0.2504313752        -15722.98793        0.7495686248    
FOB,PFOB,DIAG,PSTEP=   -0.9123128012       -0.9122837395         3.198897223       -0.3627700954E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00001 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00001 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00001      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00001      0.00000     -0.00000      0.00000 
    -0.00001     -0.00000      0.00000     -0.00001     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000      0.00001     -0.00001 
    -0.00001      0.00000     -0.00001     -0.00000      0.00004      0.00000 
    -0.00001      0.00000     -0.00002      0.00001     -0.00009     -0.00051 
    -0.00002     -0.01015     -0.00001      0.03505     -0.08801     -0.91231 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846390719
 Log product of positive Hessian eigenvalues =          519.0683667358
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1988972233
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000022
 Unscaled step for mode    9=        0.0000000034
 Unscaled step for mode   10=        0.0000000005
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000060
 Unscaled step for mode   13=        0.0000000005
 Unscaled step for mode   14=       -0.0000000039
 Unscaled step for mode   15=        0.0000000021
 Unscaled step for mode   16=        0.0000000014
 Unscaled step for mode   17=        0.0000000047
 Unscaled step for mode   18=        0.0000000023
 Unscaled step for mode   19=        0.0000000008
 Unscaled step for mode   20=        0.0000000032
 Unscaled step for mode   21=        0.0000000028
 Unscaled step for mode   22=        0.0000000049
 Unscaled step for mode   23=       -0.0000000074
 Unscaled step for mode   24=        0.0000000032
 Unscaled step for mode   25=        0.0000000026
 Unscaled step for mode   26=        0.0000000008
 Unscaled step for mode   27=       -0.0000000035
 Unscaled step for mode   28=        0.0000000037
 Unscaled step for mode   29=       -0.0000000016
 Unscaled step for mode   30=        0.0000000187
 Unscaled step for mode   31=        0.0000000146
 Unscaled step for mode   32=        0.0000000153
 Unscaled step for mode   33=        0.0000000015
 Unscaled step for mode   34=       -0.0000000007
 Unscaled step for mode   35=       -0.0000000139
 Unscaled step for mode   36=       -0.0000000192
 Unscaled step for mode   37=        0.0000000040
 Unscaled step for mode   38=        0.0000000010
 Unscaled step for mode   39=        0.0000000038
 Unscaled step for mode   40=        0.0000000187
 Unscaled step for mode   41=        0.0000000160
 Unscaled step for mode   42=        0.0000000282
 Unscaled step for mode   43=        0.0000000033
 Unscaled step for mode   44=        0.0000000342
 Unscaled step for mode   45=       -0.0000000106
 Unscaled step for mode   46=       -0.0000000198
 Unscaled step for mode   47=        0.0000000158
 Unscaled step for mode   48=        0.0000000182
 Unscaled step for mode   49=       -0.0000000219
 Unscaled step for mode   50=       -0.0000000332
 Unscaled step for mode   51=       -0.0000000017
 Unscaled step for mode   52=        0.0000000087
 Unscaled step for mode   53=       -0.0000000048
 Unscaled step for mode   54=        0.0000000106
 Unscaled step for mode   55=       -0.0000000229
 Unscaled step for mode   56=        0.0000000211
 Unscaled step for mode   57=       -0.0000000034
 Unscaled step for mode   58=        0.0000000253
 Unscaled step for mode   59=       -0.0000000089
 Unscaled step for mode   60=       -0.0000000035
 Unscaled step for mode   61=        0.0000000260
 Unscaled step for mode   62=       -0.0000000210
 Unscaled step for mode   63=        0.0000000619
 Unscaled step for mode   64=       -0.0000000040
 Unscaled step for mode   65=        0.0000000326
 Unscaled step for mode   66=       -0.0000000216
 Unscaled step for mode   67=        0.0000000541
 Unscaled step for mode   68=        0.0000000063
 Unscaled step for mode   69=       -0.0000000009
 Unscaled step for mode   70=        0.0000000567
 Unscaled step for mode   71=        0.0000000210
 Unscaled step for mode   72=       -0.0000000219
 Unscaled step for mode   73=        0.0000000014
 Unscaled step for mode   74=        0.0000000143
 Unscaled step for mode   75=       -0.0000000097
 Unscaled step for mode   76=       -0.0000000177
 Unscaled step for mode   77=       -0.0000000719
 Unscaled step for mode   78=        0.0000000025
 Unscaled step for mode   79=        0.0000000177
 Unscaled step for mode   80=        0.0000000283
 Unscaled step for mode   81=        0.0000000570
 Unscaled step for mode   82=        0.0000000584
 Unscaled step for mode   83=       -0.0000000154
 Unscaled step for mode   84=       -0.0000000337
 Unscaled step for mode   85=       -0.0000001243
 Unscaled step for mode   86=        0.0000000177
 Unscaled step for mode   87=       -0.0000000660
 Unscaled step for mode   88=       -0.0000000718
 Unscaled step for mode   89=        0.0000001339
 Unscaled step for mode   90=       -0.0000000837
 Unscaled step for mode   91=        0.0000001691
 Unscaled step for mode   92=        0.0000002564
 Unscaled step for mode   93=        0.0000002084
 Unscaled step for mode   94=        0.0000000497
 Unscaled step for mode   95=       -0.0000001821
 Unscaled step for mode   96=        0.0000001306
 Unscaled step for mode   97=        0.0000002934
 Unscaled step for mode   98=       -0.0000000149
 Unscaled step for mode   99=        0.0000002199
 Unscaled step for mode  100=        0.0000000710
 Unscaled step for mode  101=       -0.0000013187
 Unscaled step for mode  102=       -0.0000000123
 Unscaled step for mode  103=        0.0000002234
 Unscaled step for mode  104=       -0.0000000849
 Unscaled step for mode  105=        0.0000007650
 Unscaled step for mode  106=       -0.0000005519
 Unscaled step for mode  107=        0.0000047578
 Unscaled step for mode  108=        0.0000311167
 Unscaled step for mode  109=        0.0000011008
 Unscaled step for mode  110=        0.0008294507
 Unscaled step for mode  111=        0.0000009490
 Unscaled step for mode  112=       -0.0039252188
 Unscaled step for mode  113=        0.0153238922
 Unscaled step for mode  114=       -0.2651460590
 Largest modulus ratio of non-zero e/values=           233.3139673    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.144741E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.213393E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.166102E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.440696E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.156711E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.175391E-14    0.974265E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.702984E-06    0.746347E+03  0.941899E-09 0.100000E-04    0.938221E+00
   8   -0.146422E-05    0.674203E+03  0.217178E-08 0.100000E-04    0.893383E+00
   9   -0.215233E-05    0.630487E+03  0.341375E-08 0.100000E-04    0.887670E+00
  10   -0.306931E-06    0.600889E+03  0.510794E-09 0.100000E-04    0.826467E+00
  11   -0.409555E-07    0.586448E+03  0.698366E-10 0.100000E-04    0.210610E+00
  12   -0.344789E-05    0.578879E+03  0.595615E-08 0.100000E-04    0.908566E+00
  13   -0.258176E-06    0.565222E+03  0.456769E-09 0.100000E-04    0.833923E+00
  14    0.190180E-05    0.487433E+03 -0.390166E-08 0.100000E-04    0.921059E+00
  15   -0.951978E-06    0.460733E+03  0.206622E-08 0.100000E-04    0.898880E+00
  16   -0.649864E-06    0.459847E+03  0.141322E-08 0.100000E-04    0.904587E+00
  17   -0.205437E-05    0.441706E+03  0.465098E-08 0.100000E-04    0.890210E+00
  18   -0.985692E-06    0.429225E+03  0.229644E-08 0.100000E-04    0.905009E+00
  19   -0.355311E-06    0.421986E+03  0.841997E-09 0.100000E-04    0.783389E+00
  20   -0.131053E-05    0.408097E+03  0.321133E-08 0.100000E-04    0.956516E+00
  21   -0.110940E-05    0.396395E+03  0.279873E-08 0.100000E-04    0.885831E+00
  22   -0.191812E-05    0.387606E+03  0.494862E-08 0.100000E-04    0.906822E+00
  23    0.275105E-05    0.369972E+03 -0.743585E-08 0.100000E-04    0.906151E+00
  24   -0.113586E-05    0.360539E+03  0.315046E-08 0.100000E-04    0.916875E+00
  25   -0.919381E-06    0.349398E+03  0.263133E-08 0.100000E-04    0.869207E+00
  26   -0.269240E-06    0.335281E+03  0.803029E-09 0.100000E-04    0.729203E+00
  27    0.114316E-05    0.329217E+03 -0.347238E-08 0.100000E-04    0.921312E+00
  28   -0.119830E-05    0.321869E+03  0.372294E-08 0.100000E-04    0.865478E+00
  29    0.497532E-06    0.319054E+03 -0.155940E-08 0.100000E-04    0.839993E+00
  30   -0.579703E-05    0.309547E+03  0.187275E-07 0.100000E-04    0.885401E+00
  31   -0.439364E-05    0.300871E+03  0.146031E-07 0.100000E-04    0.891327E+00
  32   -0.444157E-05    0.290553E+03  0.152866E-07 0.100000E-04    0.908510E+00
  33   -0.424515E-06    0.278847E+03  0.152239E-08 0.100000E-04    0.797110E+00
  34    0.183250E-06    0.272684E+03 -0.672021E-09 0.100000E-04    0.816661E+00
  35    0.372911E-05    0.268496E+03 -0.138888E-07 0.100000E-04    0.889431E+00
  36    0.509764E-05    0.264923E+03 -0.192419E-07 0.100000E-04    0.901669E+00
  37   -0.104925E-05    0.263732E+03  0.397847E-08 0.100000E-04    0.862844E+00
  38   -0.258090E-06    0.253244E+03  0.101914E-08 0.100000E-04    0.984916E+00
  39   -0.917245E-06    0.241522E+03  0.379777E-08 0.100000E-04    0.918364E+00
  40   -0.449665E-05    0.240752E+03  0.186775E-07 0.100000E-04    0.896158E+00
  41   -0.373393E-05    0.233933E+03  0.159615E-07 0.100000E-04    0.903292E+00
  42   -0.641433E-05    0.227505E+03  0.281943E-07 0.100000E-04    0.894038E+00
  43   -0.709725E-06    0.217066E+03  0.326963E-08 0.100000E-04    0.859605E+00
  44   -0.735635E-05    0.214885E+03  0.342339E-07 0.100000E-04    0.895767E+00
  45    0.225039E-05    0.213260E+03 -0.105523E-07 0.100000E-04    0.880019E+00
  46    0.410339E-05    0.207626E+03 -0.197634E-07 0.100000E-04    0.907807E+00
  47   -0.320172E-05    0.203025E+03  0.157701E-07 0.100000E-04    0.900211E+00
  48   -0.356403E-05    0.195516E+03  0.182288E-07 0.100000E-04    0.865902E+00
  49    0.426577E-05    0.194822E+03 -0.218957E-07 0.100000E-04    0.892842E+00
  50    0.634889E-05    0.191344E+03 -0.331805E-07 0.100000E-04    0.904194E+00
  51    0.317508E-06    0.182916E+03 -0.173582E-08 0.100000E-04    0.969535E+00
  52   -0.151366E-05    0.174286E+03  0.868490E-08 0.100000E-04    0.847431E+00
  53    0.821608E-06    0.172308E+03 -0.476825E-08 0.100000E-04    0.900781E+00
  54   -0.177670E-05    0.168201E+03  0.105629E-07 0.100000E-04    0.874065E+00
  55    0.373621E-05    0.163267E+03 -0.228841E-07 0.100000E-04    0.902122E+00
  56   -0.330953E-05    0.156894E+03  0.210941E-07 0.100000E-04    0.887565E+00
  57    0.522709E-06    0.154885E+03 -0.337482E-08 0.100000E-04    0.949580E+00
  58   -0.384749E-05    0.152268E+03  0.252678E-07 0.100000E-04    0.890323E+00
  59    0.129883E-05    0.146716E+03 -0.885267E-08 0.100000E-04    0.869373E+00
  60    0.508656E-06    0.143387E+03 -0.354743E-08 0.100000E-04    0.888802E+00
  61   -0.358389E-05    0.138047E+03  0.259614E-07 0.100000E-04    0.896797E+00
  62    0.285489E-05    0.135871E+03 -0.210117E-07 0.100000E-04    0.868457E+00
  63   -0.806869E-05    0.130319E+03  0.619150E-07 0.100000E-04    0.890892E+00
  64    0.518669E-06    0.128816E+03 -0.402643E-08 0.100000E-04    0.823252E+00
  65   -0.413974E-05    0.126874E+03  0.326287E-07 0.100000E-04    0.891235E+00
  66    0.268659E-05    0.124168E+03 -0.216367E-07 0.100000E-04    0.912219E+00
  67   -0.649076E-05    0.119994E+03  0.540926E-07 0.100000E-04    0.889539E+00
  68   -0.739526E-06    0.118166E+03  0.625835E-08 0.100000E-04    0.841226E+00
  69    0.105367E-06    0.116885E+03 -0.901457E-09 0.100000E-04    0.604003E+00
  70   -0.625798E-05    0.110349E+03  0.567110E-07 0.100000E-04    0.896956E+00
  71   -0.224172E-05    0.106865E+03  0.209772E-07 0.100000E-04    0.908252E+00
  72    0.228535E-05    0.104415E+03 -0.218871E-07 0.100000E-04    0.866295E+00
  73   -0.148903E-06    0.102838E+03  0.144793E-08 0.100000E-04    0.653875E+00
  74   -0.142170E-05    0.995402E+02  0.142826E-07 0.100000E-04    0.980294E+00
  75    0.930255E-06    0.961004E+02 -0.968003E-08 0.100000E-04    0.753061E+00
  76    0.166134E-05    0.941250E+02 -0.176503E-07 0.100000E-04    0.856425E+00
  77    0.661235E-05    0.920121E+02 -0.718639E-07 0.100000E-04    0.925544E+00
  78   -0.225861E-06    0.911993E+02  0.247656E-08 0.100000E-04    0.932216E+00
  79   -0.156267E-05    0.884591E+02  0.176654E-07 0.100000E-04    0.881184E+00
  80   -0.242222E-05    0.855814E+02  0.283032E-07 0.100000E-04    0.886191E+00
  81   -0.460861E-05    0.808239E+02  0.570204E-07 0.100000E-04    0.877533E+00
  82   -0.469953E-05    0.804561E+02  0.584112E-07 0.100000E-04    0.868464E+00
  83    0.120045E-05    0.779613E+02 -0.153980E-07 0.100000E-04    0.803741E+00
  84    0.247130E-05    0.733071E+02 -0.337116E-07 0.100000E-04    0.894023E+00
  85    0.902164E-05    0.726068E+02 -0.124253E-06 0.100000E-04    0.923197E+00
  86   -0.120116E-05    0.679378E+02  0.176802E-07 0.100000E-04    0.895793E+00
  87    0.427647E-05    0.647895E+02 -0.660055E-07 0.100000E-04    0.884429E+00
  88    0.440693E-05    0.613958E+02 -0.717790E-07 0.100000E-04    0.941514E+00
  89   -0.801569E-05    0.598548E+02  0.133919E-06 0.100000E-04    0.910335E+00
  90    0.497028E-05    0.593932E+02 -0.836843E-07 0.100000E-04    0.856825E+00
  91   -0.983317E-05    0.581499E+02  0.169100E-06 0.100000E-04    0.878597E+00
  92   -0.143228E-04    0.558718E+02  0.256351E-06 0.100000E-04    0.883009E+00
  93   -0.109344E-04    0.524636E+02  0.208418E-06 0.100000E-04    0.876253E+00
  94   -0.258561E-05    0.520544E+02  0.496714E-07 0.100000E-04    0.917355E+00
  95    0.914013E-05    0.501836E+02 -0.182134E-06 0.100000E-04    0.918753E+00
  96   -0.603475E-05    0.462229E+02  0.130558E-06 0.100000E-04    0.885696E+00
  97   -0.127094E-04    0.433198E+02  0.293385E-06 0.100000E-04    0.913517E+00
  98    0.610113E-06    0.408982E+02 -0.149179E-07 0.109000E-04    0.934393E-01
  99   -0.832726E-05    0.378765E+02  0.219853E-06 0.100000E-04    0.923107E+00
 100   -0.257218E-05    0.362404E+02  0.709754E-07 0.100000E-04    0.916948E+00
 101    0.426157E-04    0.323153E+02 -0.131875E-05 0.100000E-04    0.889473E+00
 102    0.355416E-06    0.288710E+02 -0.123105E-07 0.107036E-04    0.147323E+03
 103   -0.635690E-05    0.284500E+02  0.223441E-06 0.100000E-04    0.879595E+00
 104    0.223226E-05    0.262866E+02 -0.849202E-07 0.100000E-04    0.635349E+00
 105   -0.178386E-04    0.233187E+02  0.764991E-06 0.100000E-04    0.885808E+00
 106    0.117625E-04    0.213142E+02 -0.551861E-06 0.100000E-04    0.905211E+00
 107   -0.944906E-04    0.198600E+02  0.475783E-05 0.100000E-04    0.891066E+00
 108   -0.512789E-03    0.164796E+02  0.100000E-04 0.100000E-04    0.542977E+00
 109   -0.153005E-04    0.138991E+02  0.110083E-05 0.100000E-04    0.971727E+00
 110   -0.101502E-01    0.122373E+02  0.100000E-04 0.100000E-04    0.335630E+00
 111   -0.957656E-05    0.100910E+02  0.949019E-06 0.100000E-04    0.791405E+00
 112    0.350464E-01    0.892839E+01 -0.100000E-04 0.100000E-04    0.216469E+00
 113   -0.880082E-01    0.574185E+01  0.760725E-04 0.760725E-04    0.266411E+00
 114   -0.912313E+00    0.319890E+01 -0.326820E-04 0.326820E-04    0.749569E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.7607245852E-04    0.2651460590    

 Beginning of optimization cycle  526.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3001300713
 potential> RMS force:                                               0.0859159445   |gradient|=.9173312629    
 Eigenvalues of the Hessian matrix:
   746.36147    674.19767    630.49506    600.88483    586.44462    578.88199 
   565.21072    487.43279    460.73007    459.84422    441.70403    429.23099 
   421.98531    408.09336    396.39344    387.60367    369.97267    360.53942 
   349.39721    335.28314    329.21922    321.86772    319.05756    309.54314 
   300.86996    290.55424    278.85228    272.68671    268.49883    264.92465 
   263.73604    253.24317    241.52376    240.75437    233.93560    227.50682 
   217.06817    214.88450    213.25944    207.62769    203.02349    195.51373 
   194.82386    191.34427    182.91774    174.28884    172.30854    168.20286 
   163.26492    156.89256    154.88678    152.26819    146.71416    143.38573 
   138.04850    135.87125    130.31762    128.81715    126.87462    124.16478 
   119.99397    118.16640    116.88330    110.34904    106.86353    104.41572 
   102.83849     99.53929     96.09978     94.12390     92.01051     91.20052 
    88.45742     85.58228     80.82394     80.45794     77.96052     73.30614 
    72.60458     67.93617     64.78763     61.39407     59.85381     59.39289 
    58.14891     55.87091     52.46292     52.05302     50.18515     46.22085 
    43.32085     40.89844     37.87567     36.23793     32.31375     28.87190 
    28.45000     26.28711     23.31903     21.31415     19.85962     16.47898 
    13.89927     12.23734     10.09101      8.93232      5.74193      3.19801 
overlap for current and previous eigenvector    109 is         0.9999999115
overlap for current and previous eigenvector    110 is         0.9999999820
overlap for current and previous eigenvector    111 is         0.9999997933
overlap for current and previous eigenvector    112 is         0.9999995710
overlap for current and previous eigenvector    113 is         0.9999994025
overlap for current and previous eigenvector    114 is         0.9999996138
J1,K1,R1,R2,RAT=   7   7    0.9236310751E-01     1.907599195        0.9075991955    
FOB,PFOB,DIAG,PSTEP=   -0.6380527777E-06   -0.7029837667E-06     746.3614701        0.9418988591E-09
J1,K1,R1,R2,RAT=   8   8    0.1033992517         1.896615285        0.8966007483    
FOB,PFOB,DIAG,PSTEP=   -0.1312823941E-05   -0.1464222334E-05     674.1976656        0.2171783983E-08
J1,K1,R1,R2,RAT=   9   9    0.1081673562         1.891808357        0.8918083571    
FOB,PFOB,DIAG,PSTEP=   -0.1919514529E-05   -0.2152329105E-05     630.4950600        0.3413754331E-08
J1,K1,R1,R2,RAT=  10  10    0.1673473675         1.832666358        0.8326526325    
FOB,PFOB,DIAG,PSTEP=   -0.2555669324E-06   -0.3069306094E-06     600.8848277        0.5107942302E-09
J1,K1,R1,R2,RAT=  11  11   -0.1211938282E-02     2.001222108        0.9987880617    
FOB,PFOB,DIAG,PSTEP=   -0.4100511504E-07   -0.4095547978E-07     586.4446218        0.6983655403E-10
J1,K1,R1,R2,RAT= 109 109    0.8164841912E-01     1.918330347        0.9183303468    
FOB,PFOB,DIAG,PSTEP=   -0.1405123731E-04   -0.1530051330E-04     13.89926662        0.1100826120E-05
J1,K1,R1,R2,RAT= 110 110     1.301902883         164.5875155        0.3019028835    
FOB,PFOB,DIAG,PSTEP=   -0.9990907636E-02   -0.1015022592E-01     12.23733981        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.6626554011E-01     1.933735144        0.9337344599    
FOB,PFOB,DIAG,PSTEP=   -0.8941965087E-05   -0.9576560847E-05     10.09100678        0.9490190402E-06
J1,K1,R1,R2,RAT= 112 112   -0.7471267902         785.4572449        0.2528732098    
FOB,PFOB,DIAG,PSTEP=    0.3511315747E-01    0.3504642169E-01     8.932323131       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7379060971         403.7036199        0.2620939029    
FOB,PFOB,DIAG,PSTEP=   -0.8833053000E-01   -0.8800821079E-01     5.741926640        0.7607245852E-04
J1,K1,R1,R2,RAT= 114 114    0.2452383738        -17457.89137        0.7547616262    
FOB,PFOB,DIAG,PSTEP=   -0.9123384328       -0.9123128012         3.198008237       -0.3268199058E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00001 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00001      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00001      0.00000     -0.00000      0.00000 
    -0.00001      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00001      0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00001     -0.00001     -0.00001     -0.00000     -0.00001      0.00001 
    -0.00001      0.00000     -0.00001     -0.00000      0.00004      0.00000 
    -0.00001      0.00000     -0.00002      0.00001     -0.00009     -0.00043 
    -0.00001     -0.00999     -0.00001      0.03511     -0.08833     -0.91234 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846389834
 Log product of positive Hessian eigenvalues =          519.0682468985
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1980082370
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000019
 Unscaled step for mode    9=        0.0000000030
 Unscaled step for mode   10=        0.0000000004
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000054
 Unscaled step for mode   13=        0.0000000004
 Unscaled step for mode   14=       -0.0000000036
 Unscaled step for mode   15=        0.0000000019
 Unscaled step for mode   16=        0.0000000013
 Unscaled step for mode   17=        0.0000000042
 Unscaled step for mode   18=        0.0000000021
 Unscaled step for mode   19=        0.0000000007
 Unscaled step for mode   20=        0.0000000030
 Unscaled step for mode   21=        0.0000000025
 Unscaled step for mode   22=        0.0000000045
 Unscaled step for mode   23=       -0.0000000067
 Unscaled step for mode   24=        0.0000000028
 Unscaled step for mode   25=        0.0000000024
 Unscaled step for mode   26=        0.0000000007
 Unscaled step for mode   27=       -0.0000000033
 Unscaled step for mode   28=        0.0000000033
 Unscaled step for mode   29=       -0.0000000015
 Unscaled step for mode   30=        0.0000000170
 Unscaled step for mode   31=        0.0000000131
 Unscaled step for mode   32=        0.0000000140
 Unscaled step for mode   33=        0.0000000013
 Unscaled step for mode   34=       -0.0000000006
 Unscaled step for mode   35=       -0.0000000125
 Unscaled step for mode   36=       -0.0000000175
 Unscaled step for mode   37=        0.0000000035
 Unscaled step for mode   38=        0.0000000008
 Unscaled step for mode   39=        0.0000000034
 Unscaled step for mode   40=        0.0000000169
 Unscaled step for mode   41=        0.0000000143
 Unscaled step for mode   42=        0.0000000255
 Unscaled step for mode   43=        0.0000000028
 Unscaled step for mode   44=        0.0000000308
 Unscaled step for mode   45=       -0.0000000095
 Unscaled step for mode   46=       -0.0000000178
 Unscaled step for mode   47=        0.0000000143
 Unscaled step for mode   48=        0.0000000161
 Unscaled step for mode   49=       -0.0000000196
 Unscaled step for mode   50=       -0.0000000300
 Unscaled step for mode   51=       -0.0000000017
 Unscaled step for mode   52=        0.0000000077
 Unscaled step for mode   53=       -0.0000000044
 Unscaled step for mode   54=        0.0000000093
 Unscaled step for mode   55=       -0.0000000210
 Unscaled step for mode   56=        0.0000000191
 Unscaled step for mode   57=       -0.0000000031
 Unscaled step for mode   58=        0.0000000230
 Unscaled step for mode   59=       -0.0000000079
 Unscaled step for mode   60=       -0.0000000033
 Unscaled step for mode   61=        0.0000000234
 Unscaled step for mode   62=       -0.0000000186
 Unscaled step for mode   63=        0.0000000561
 Unscaled step for mode   64=       -0.0000000039
 Unscaled step for mode   65=        0.0000000292
 Unscaled step for mode   66=       -0.0000000195
 Unscaled step for mode   67=        0.0000000490
 Unscaled step for mode   68=       -0.0000000053
 Unscaled step for mode   69=       -0.0000000012
 Unscaled step for mode   70=       -0.0000000510
 Unscaled step for mode   71=       -0.0000000190
 Unscaled step for mode   72=       -0.0000000190
 Unscaled step for mode   73=        0.0000000011
 Unscaled step for mode   74=        0.0000000143
 Unscaled step for mode   75=       -0.0000000076
 Unscaled step for mode   76=       -0.0000000156
 Unscaled step for mode   77=       -0.0000000672
 Unscaled step for mode   78=        0.0000000026
 Unscaled step for mode   79=        0.0000000158
 Unscaled step for mode   80=        0.0000000249
 Unscaled step for mode   81=        0.0000000511
 Unscaled step for mode   82=        0.0000000516
 Unscaled step for mode   83=       -0.0000000123
 Unscaled step for mode   84=        0.0000000301
 Unscaled step for mode   85=        0.0000001141
 Unscaled step for mode   86=       -0.0000000152
 Unscaled step for mode   87=       -0.0000000602
 Unscaled step for mode   88=       -0.0000000686
 Unscaled step for mode   89=        0.0000001219
 Unscaled step for mode   90=       -0.0000000720
 Unscaled step for mode   91=        0.0000001546
 Unscaled step for mode   92=        0.0000002301
 Unscaled step for mode   93=        0.0000001879
 Unscaled step for mode   94=        0.0000000456
 Unscaled step for mode   95=        0.0000001663
 Unscaled step for mode   96=       -0.0000001208
 Unscaled step for mode   97=        0.0000002666
 Unscaled step for mode   98=       -0.0000000138
 Unscaled step for mode   99=        0.0000002024
 Unscaled step for mode  100=        0.0000000663
 Unscaled step for mode  101=       -0.0000012004
 Unscaled step for mode  102=       -0.0000000151
 Unscaled step for mode  103=        0.0000001910
 Unscaled step for mode  104=       -0.0000000752
 Unscaled step for mode  105=        0.0000006986
 Unscaled step for mode  106=       -0.0000005077
 Unscaled step for mode  107=        0.0000043232
 Unscaled step for mode  108=        0.0000260471
 Unscaled step for mode  109=        0.0000010109
 Unscaled step for mode  110=        0.0008164275
 Unscaled step for mode  111=        0.0000008861
 Unscaled step for mode  112=       -0.0039309611
 Unscaled step for mode  113=        0.0153797918
 Unscaled step for mode  114=       -0.2652165504
 Largest modulus ratio of non-zero e/values=           233.3832232    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.451679E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.187502E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.413081E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.842425E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.127874E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.260977E-14    0.974266E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.638053E-06    0.746361E+03  0.854884E-09 0.100000E-04    0.907599E+00
   8   -0.131282E-05    0.674198E+03  0.194724E-08 0.100000E-04    0.896601E+00
   9   -0.191951E-05    0.630495E+03  0.304446E-08 0.100000E-04    0.891808E+00
  10   -0.255567E-06    0.600885E+03  0.425318E-09 0.100000E-04    0.832653E+00
  11   -0.410051E-07    0.586445E+03  0.699215E-10 0.100000E-04    0.998788E+00
  12   -0.310844E-05    0.578882E+03  0.536973E-08 0.100000E-04    0.901539E+00
  13   -0.220490E-06    0.565211E+03  0.390102E-09 0.100000E-04    0.854026E+00
  14    0.173390E-05    0.487433E+03 -0.355721E-08 0.100000E-04    0.911716E+00
  15   -0.856657E-06    0.460730E+03  0.185935E-08 0.100000E-04    0.899870E+00
  16   -0.591168E-06    0.459844E+03  0.128558E-08 0.100000E-04    0.909678E+00
  17   -0.183686E-05    0.441704E+03  0.415858E-08 0.100000E-04    0.894124E+00
  18   -0.892349E-06    0.429231E+03  0.207895E-08 0.100000E-04    0.905277E+00
  19   -0.292255E-06    0.421985E+03  0.692571E-09 0.100000E-04    0.822531E+00
  20   -0.122608E-05    0.408093E+03  0.300442E-08 0.100000E-04    0.935560E+00
  21   -0.982378E-06    0.396393E+03  0.247829E-08 0.100000E-04    0.885502E+00
  22   -0.174331E-05    0.387604E+03  0.449767E-08 0.100000E-04    0.908866E+00
  23    0.247364E-05    0.369973E+03 -0.668601E-08 0.100000E-04    0.899155E+00
  24   -0.101669E-05    0.360539E+03  0.281992E-08 0.100000E-04    0.895080E+00
  25   -0.826143E-06    0.349397E+03  0.236448E-08 0.100000E-04    0.898587E+00
  26   -0.237412E-06    0.335283E+03  0.708093E-09 0.100000E-04    0.881772E+00
  27    0.108369E-05    0.329219E+03 -0.329171E-08 0.100000E-04    0.947961E+00
  28   -0.106447E-05    0.321868E+03  0.330717E-08 0.100000E-04    0.888319E+00
  29    0.468174E-06    0.319058E+03 -0.146737E-08 0.100000E-04    0.940971E+00
  30   -0.525620E-05    0.309543E+03  0.169805E-07 0.100000E-04    0.906705E+00
  31   -0.393879E-05    0.300870E+03  0.130913E-07 0.100000E-04    0.896474E+00
  32   -0.407157E-05    0.290554E+03  0.140131E-07 0.100000E-04    0.916685E+00
  33   -0.354972E-06    0.278852E+03  0.127298E-08 0.100000E-04    0.836151E+00
  34    0.174908E-06    0.272687E+03 -0.641423E-09 0.100000E-04    0.954460E+00
  35    0.334401E-05    0.268499E+03 -0.124545E-07 0.100000E-04    0.896717E+00
  36    0.464250E-05    0.264925E+03 -0.175238E-07 0.100000E-04    0.910705E+00
  37   -0.921022E-06    0.263736E+03  0.349221E-08 0.100000E-04    0.877763E+00
  38   -0.208973E-06    0.253243E+03  0.825186E-09 0.100000E-04    0.809689E+00
  39   -0.822205E-06    0.241524E+03  0.340424E-08 0.100000E-04    0.896369E+00
  40   -0.407363E-05    0.240754E+03  0.169203E-07 0.100000E-04    0.905910E+00
  41   -0.334601E-05    0.233936E+03  0.143031E-07 0.100000E-04    0.896090E+00
  42   -0.581027E-05    0.227507E+03  0.255389E-07 0.100000E-04    0.905810E+00
  43   -0.615207E-06    0.217068E+03  0.283417E-08 0.100000E-04    0.866803E+00
  44   -0.661562E-05    0.214885E+03  0.307869E-07 0.100000E-04    0.899308E+00
  45    0.203513E-05    0.213259E+03 -0.954298E-08 0.100000E-04    0.904345E+00
  46    0.369436E-05    0.207628E+03 -0.177932E-07 0.100000E-04    0.900302E+00
  47   -0.289555E-05    0.203023E+03  0.142621E-07 0.100000E-04    0.904371E+00
  48   -0.313848E-05    0.195514E+03  0.160525E-07 0.100000E-04    0.880597E+00
  49    0.381372E-05    0.194824E+03 -0.195752E-07 0.100000E-04    0.894014E+00
  50    0.574835E-05    0.191344E+03 -0.300419E-07 0.100000E-04    0.905405E+00
  51    0.318489E-06    0.182918E+03 -0.174116E-08 0.100000E-04    0.996911E+00
  52   -0.134906E-05    0.174289E+03  0.774035E-08 0.100000E-04    0.891228E+00
  53    0.760110E-06    0.172309E+03 -0.441133E-08 0.100000E-04    0.925145E+00
  54   -0.155930E-05    0.168203E+03  0.927036E-08 0.100000E-04    0.877622E+00
  55    0.343202E-05    0.163265E+03 -0.210212E-07 0.100000E-04    0.918583E+00
  56   -0.299389E-05    0.156893E+03  0.190824E-07 0.100000E-04    0.904627E+00
  57    0.472889E-06    0.154887E+03 -0.305313E-08 0.100000E-04    0.904670E+00
  58   -0.349862E-05    0.152268E+03  0.229767E-07 0.100000E-04    0.909325E+00
  59    0.115453E-05    0.146714E+03 -0.786927E-08 0.100000E-04    0.888900E+00
  60    0.477748E-06    0.143386E+03 -0.333190E-08 0.100000E-04    0.939234E+00
  61   -0.323689E-05    0.138049E+03  0.234475E-07 0.100000E-04    0.903153E+00
  62    0.252861E-05    0.135871E+03 -0.186103E-07 0.100000E-04    0.885712E+00
  63   -0.730691E-05    0.130318E+03  0.560700E-07 0.100000E-04    0.905588E+00
  64    0.499209E-06    0.128817E+03 -0.387533E-08 0.100000E-04    0.962466E+00
  65   -0.370420E-05    0.126875E+03  0.291957E-07 0.100000E-04    0.894783E+00
  66    0.242710E-05    0.124165E+03 -0.195474E-07 0.100000E-04    0.903410E+00
  67   -0.587441E-05    0.119994E+03  0.489559E-07 0.100000E-04    0.905035E+00
  68    0.625486E-06    0.118166E+03 -0.529326E-08 0.100000E-04    0.845792E+00
  69    0.137821E-06    0.116883E+03 -0.117913E-08 0.100000E-04    0.691987E+00
  70    0.563026E-05    0.110349E+03 -0.510223E-07 0.100000E-04    0.899685E+00
  71    0.202869E-05    0.106864E+03 -0.189839E-07 0.100000E-04    0.904968E+00
  72    0.198060E-05    0.104416E+03 -0.189684E-07 0.100000E-04    0.866644E+00
  73   -0.110089E-06    0.102838E+03  0.107051E-08 0.100000E-04    0.739333E+00
  74   -0.142741E-05    0.995393E+02  0.143402E-07 0.100000E-04    0.995980E+00
  75    0.733049E-06    0.960998E+02 -0.762800E-08 0.100000E-04    0.788007E+00
  76    0.147034E-05    0.941239E+02 -0.156213E-07 0.100000E-04    0.885031E+00
  77    0.618303E-05    0.920105E+02 -0.671992E-07 0.100000E-04    0.935072E+00
  78   -0.235093E-06    0.912005E+02  0.257776E-08 0.100000E-04    0.959123E+00
  79   -0.139423E-05    0.884574E+02  0.157615E-07 0.100000E-04    0.892208E+00
  80   -0.213377E-05    0.855823E+02  0.249324E-07 0.100000E-04    0.880896E+00
  81   -0.413081E-05    0.808239E+02  0.511088E-07 0.100000E-04    0.896323E+00
  82   -0.415305E-05    0.804579E+02  0.516177E-07 0.100000E-04    0.883672E+00
  83    0.957582E-06    0.779605E+02 -0.122829E-07 0.100000E-04    0.797684E+00
  84   -0.220881E-05    0.733061E+02  0.301313E-07 0.100000E-04    0.893785E+00
  85   -0.828097E-05    0.726046E+02  0.114056E-06 0.100000E-04    0.917898E+00
  86    0.103443E-05    0.679362E+02 -0.152265E-07 0.100000E-04    0.861190E+00
  87    0.390184E-05    0.647876E+02 -0.602251E-07 0.100000E-04    0.912396E+00
  88    0.421199E-05    0.613941E+02 -0.686059E-07 0.100000E-04    0.955764E+00
  89   -0.729829E-05    0.598538E+02  0.121935E-06 0.100000E-04    0.910499E+00
  90    0.427629E-05    0.593929E+02 -0.720000E-07 0.100000E-04    0.860370E+00
  91   -0.899094E-05    0.581489E+02  0.154619E-06 0.100000E-04    0.914347E+00
  92   -0.128534E-04    0.558709E+02  0.230054E-06 0.100000E-04    0.897404E+00
  93   -0.985644E-05    0.524629E+02  0.187874E-06 0.100000E-04    0.901417E+00
  94   -0.237225E-05    0.520530E+02  0.455737E-07 0.100000E-04    0.917478E+00
  95   -0.834643E-05    0.501851E+02  0.166313E-06 0.100000E-04    0.913105E+00
  96    0.558555E-05    0.462209E+02 -0.120845E-06 0.100000E-04    0.925561E+00
  97   -0.115515E-04    0.433208E+02  0.266649E-06 0.100000E-04    0.908846E+00
  98    0.563404E-06    0.408984E+02 -0.137757E-07 0.100000E-04    0.923430E+00
  99   -0.766726E-05    0.378757E+02  0.202432E-06 0.100000E-04    0.920740E+00
 100   -0.240323E-05    0.362379E+02  0.663181E-07 0.100000E-04    0.934312E+00
 101    0.387878E-04    0.323138E+02 -0.120035E-05 0.100000E-04    0.910173E+00
 102    0.437382E-06    0.288719E+02 -0.151491E-07 0.100000E-04    0.769388E+00
 103   -0.543521E-05    0.284500E+02  0.191044E-06 0.100000E-04    0.855008E+00
 104    0.197619E-05    0.262871E+02 -0.751773E-07 0.100000E-04    0.885249E+00
 105   -0.162909E-04    0.233190E+02  0.698610E-06 0.100000E-04    0.913214E+00
 106    0.108213E-04    0.213142E+02 -0.507707E-06 0.100000E-04    0.919990E+00
 107   -0.858566E-04    0.198596E+02  0.432317E-05 0.100000E-04    0.908624E+00
 108   -0.429230E-03    0.164790E+02  0.100000E-04 0.100000E-04    0.492931E+00
 109   -0.140512E-04    0.138993E+02  0.101093E-05 0.100000E-04    0.918330E+00
 110   -0.999091E-02    0.122373E+02  0.100000E-04 0.100000E-04    0.301903E+00
 111   -0.894197E-05    0.100910E+02  0.886132E-06 0.100000E-04    0.933734E+00
 112    0.351132E-01    0.893232E+01 -0.100000E-04 0.100000E-04    0.252873E+00
 113   -0.883305E-01    0.574193E+01  0.685337E-04 0.685337E-04    0.262094E+00
 114   -0.912338E+00    0.319801E+01 -0.294432E-04 0.294432E-04    0.754762E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.6853374641E-04    0.2652165504    

 Beginning of optimization cycle  527.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3001097016
 potential> RMS force:                                               0.0859207159   |gradient|=.9173822067    
 Eigenvalues of the Hessian matrix:
   746.37441    674.19341    630.50208    600.88097    586.44197    578.88452 
   565.20052    487.43238    460.72730    459.84189    441.70193    429.23619 
   421.98441    408.08975    396.39226    387.60132    369.97353    360.54004 
   349.39671    335.28488    329.22149    321.86653    319.06089    309.53955 
   300.86895    290.55569    278.85671    272.68885    268.50095    264.92596 
   263.73922    253.24257    241.52557    240.75613    233.93802    227.50844 
   217.07052    214.88439    213.25880    207.62926    203.02231    195.51119 
   194.82508    191.34473    182.91945    174.29116    172.30897    168.20409 
   163.26333    156.89154    154.88811    152.26802    146.71232    143.38427 
   138.05013    135.87123    130.31651    128.81792    126.87500    124.16154 
   119.99435    118.16646    116.88165    110.34950    106.86249    104.41626 
   102.83861     99.53839     96.09918     94.12287     92.00906     91.20159 
    88.45590     85.58304     80.82400     80.45961     77.95985     73.30528 
    72.60257     67.93470     64.78593     61.39248     59.85294     59.39258 
    58.14801     55.87016     52.46230     52.05179     50.18656     46.21900 
    43.32180     40.89868     37.87495     36.23571     32.31236     28.87271 
    28.45001     26.28761     23.31932     21.31416     19.85927     16.47845 
    13.89941     12.23741     10.09101      8.93593      5.74200      3.19719 
overlap for current and previous eigenvector    109 is         0.9999999266
overlap for current and previous eigenvector    110 is         0.9999999852
overlap for current and previous eigenvector    111 is         0.9999998307
overlap for current and previous eigenvector    112 is         0.9999996421
overlap for current and previous eigenvector    113 is         0.9999995027
overlap for current and previous eigenvector    114 is         0.9999996822
J1,K1,R1,R2,RAT=   7   7    0.8713683030E-01     1.912828491        0.9128284914    
FOB,PFOB,DIAG,PSTEP=   -0.5824539170E-06   -0.6380527777E-06     746.3744116        0.8548844001E-09
J1,K1,R1,R2,RAT=   8   8    0.1030871841         1.896925426        0.8969128159    
FOB,PFOB,DIAG,PSTEP=   -0.1177489471E-05   -0.1312823941E-05     674.1934146        0.1947238930E-08
J1,K1,R1,R2,RAT=   9   9    0.1019169381         1.898060802        0.8980608015    
FOB,PFOB,DIAG,PSTEP=   -0.1723881308E-05   -0.1919514529E-05     630.5020776        0.3044456096E-08
J1,K1,R1,R2,RAT=  10  10    0.2149672362         1.785045600        0.7850327638    
FOB,PFOB,DIAG,PSTEP=   -0.2006287679E-06   -0.2555669324E-06     600.8809711        0.4253176659E-09
J1,K1,R1,R2,RAT=  11  11    0.1118621963         1.888146831        0.8881378037    
FOB,PFOB,DIAG,PSTEP=   -0.3641821351E-07   -0.4100511504E-07     586.4419748        0.6992154674E-10
J1,K1,R1,R2,RAT= 109 109    0.6839438789E-01     1.931585309        0.9315853094    
FOB,PFOB,DIAG,PSTEP=   -0.1309020178E-04   -0.1405123731E-04     13.89940771        0.1010933720E-05
J1,K1,R1,R2,RAT= 110 110     1.270259017         162.0143589        0.2702590166    
FOB,PFOB,DIAG,PSTEP=   -0.9835460776E-02   -0.9990907636E-02     12.23741435        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.4980515248E-01     1.950195081        0.9501948475    
FOB,PFOB,DIAG,PSTEP=   -0.8496609204E-05   -0.8941965087E-05     10.09100560        0.8861321057E-06
J1,K1,R1,R2,RAT= 112 112   -0.5959780916         786.4828156        0.4040219084    
FOB,PFOB,DIAG,PSTEP=    0.3516641367E-01    0.3511315747E-01     8.935932197       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7486131568         449.6727355        0.2513868432    
FOB,PFOB,DIAG,PSTEP=   -0.8862512498E-01   -0.8833053000E-01     5.742003018        0.6853374641E-04
J1,K1,R1,R2,RAT= 114 114    0.2372229993        -19383.70528        0.7627770007    
FOB,PFOB,DIAG,PSTEP=   -0.9123607640       -0.9123384328         3.197193795       -0.2944323475E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00001 
    -0.00000     -0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00001      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00001      0.00000     -0.00000      0.00000 
    -0.00001      0.00000      0.00000     -0.00001      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00001      0.00000      0.00000     -0.00000     -0.00001      0.00000 
     0.00001      0.00001      0.00001      0.00000      0.00001     -0.00001 
    -0.00001      0.00000     -0.00001     -0.00000      0.00004      0.00000 
    -0.00000      0.00000     -0.00002      0.00001     -0.00008     -0.00034 
    -0.00001     -0.00984     -0.00001      0.03517     -0.08863     -0.91236 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846384710
 Log product of positive Hessian eigenvalues =          519.0681512995
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1971937946
 Unscaled step for mode    7=        0.0000000008
 Unscaled step for mode    8=        0.0000000017
 Unscaled step for mode    9=        0.0000000027
 Unscaled step for mode   10=        0.0000000003
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000049
 Unscaled step for mode   13=        0.0000000003
 Unscaled step for mode   14=       -0.0000000033
 Unscaled step for mode   15=        0.0000000017
 Unscaled step for mode   16=        0.0000000012
 Unscaled step for mode   17=        0.0000000037
 Unscaled step for mode   18=        0.0000000019
 Unscaled step for mode   19=        0.0000000006
 Unscaled step for mode   20=        0.0000000028
 Unscaled step for mode   21=        0.0000000022
 Unscaled step for mode   22=        0.0000000041
 Unscaled step for mode   23=       -0.0000000060
 Unscaled step for mode   24=        0.0000000025
 Unscaled step for mode   25=        0.0000000021
 Unscaled step for mode   26=        0.0000000006
 Unscaled step for mode   27=       -0.0000000032
 Unscaled step for mode   28=        0.0000000030
 Unscaled step for mode   29=       -0.0000000014
 Unscaled step for mode   30=        0.0000000155
 Unscaled step for mode   31=        0.0000000117
 Unscaled step for mode   32=        0.0000000130
 Unscaled step for mode   33=        0.0000000010
 Unscaled step for mode   34=       -0.0000000006
 Unscaled step for mode   35=       -0.0000000112
 Unscaled step for mode   36=       -0.0000000160
 Unscaled step for mode   37=        0.0000000031
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000030
 Unscaled step for mode   40=        0.0000000155
 Unscaled step for mode   41=        0.0000000128
 Unscaled step for mode   42=        0.0000000232
 Unscaled step for mode   43=        0.0000000024
 Unscaled step for mode   44=        0.0000000278
 Unscaled step for mode   45=       -0.0000000087
 Unscaled step for mode   46=       -0.0000000160
 Unscaled step for mode   47=        0.0000000129
 Unscaled step for mode   48=        0.0000000142
 Unscaled step for mode   49=       -0.0000000174
 Unscaled step for mode   50=       -0.0000000271
 Unscaled step for mode   51=       -0.0000000019
 Unscaled step for mode   52=        0.0000000070
 Unscaled step for mode   53=       -0.0000000041
 Unscaled step for mode   54=        0.0000000080
 Unscaled step for mode   55=       -0.0000000194
 Unscaled step for mode   56=        0.0000000176
 Unscaled step for mode   57=       -0.0000000029
 Unscaled step for mode   58=        0.0000000210
 Unscaled step for mode   59=       -0.0000000072
 Unscaled step for mode   60=       -0.0000000030
 Unscaled step for mode   61=        0.0000000212
 Unscaled step for mode   62=       -0.0000000165
 Unscaled step for mode   63=        0.0000000509
 Unscaled step for mode   64=       -0.0000000037
 Unscaled step for mode   65=        0.0000000263
 Unscaled step for mode   66=       -0.0000000176
 Unscaled step for mode   67=        0.0000000445
 Unscaled step for mode   68=       -0.0000000046
 Unscaled step for mode   69=       -0.0000000015
 Unscaled step for mode   70=        0.0000000457
 Unscaled step for mode   71=       -0.0000000173
 Unscaled step for mode   72=       -0.0000000165
 Unscaled step for mode   73=        0.0000000009
 Unscaled step for mode   74=        0.0000000144
 Unscaled step for mode   75=       -0.0000000058
 Unscaled step for mode   76=       -0.0000000136
 Unscaled step for mode   77=        0.0000000633
 Unscaled step for mode   78=       -0.0000000036
 Unscaled step for mode   79=        0.0000000143
 Unscaled step for mode   80=        0.0000000216
 Unscaled step for mode   81=        0.0000000460
 Unscaled step for mode   82=        0.0000000456
 Unscaled step for mode   83=       -0.0000000086
 Unscaled step for mode   84=        0.0000000266
 Unscaled step for mode   85=        0.0000001047
 Unscaled step for mode   86=       -0.0000000132
 Unscaled step for mode   87=       -0.0000000554
 Unscaled step for mode   88=        0.0000000673
 Unscaled step for mode   89=        0.0000001114
 Unscaled step for mode   90=       -0.0000000616
 Unscaled step for mode   91=       -0.0000001433
 Unscaled step for mode   92=       -0.0000002060
 Unscaled step for mode   93=       -0.0000001708
 Unscaled step for mode   94=       -0.0000000420
 Unscaled step for mode   95=       -0.0000001514
 Unscaled step for mode   96=        0.0000001132
 Unscaled step for mode   97=        0.0000002421
 Unscaled step for mode   98=       -0.0000000123
 Unscaled step for mode   99=        0.0000001880
 Unscaled step for mode  100=        0.0000000652
 Unscaled step for mode  101=       -0.0000010983
 Unscaled step for mode  102=       -0.0000000170
 Unscaled step for mode  103=        0.0000001641
 Unscaled step for mode  104=       -0.0000000600
 Unscaled step for mode  105=        0.0000006485
 Unscaled step for mode  106=       -0.0000004842
 Unscaled step for mode  107=        0.0000039315
 Unscaled step for mode  108=        0.0000205418
 Unscaled step for mode  109=        0.0000009418
 Unscaled step for mode  110=        0.0008037200
 Unscaled step for mode  111=        0.0000008420
 Unscaled step for mode  112=       -0.0039353330
 Unscaled step for mode  113=        0.0154308561
 Unscaled step for mode  114=       -0.2652808675
 Largest modulus ratio of non-zero e/values=           233.4467222    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.764363E-16    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.211040E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.127004E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.103953E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.902056E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.339172E-14    0.974267E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.582454E-06    0.746374E+03  0.780378E-09 0.100000E-04    0.912828E+00
   8   -0.117749E-05    0.674193E+03  0.174652E-08 0.100000E-04    0.896913E+00
   9   -0.172388E-05    0.630502E+03  0.273414E-08 0.100000E-04    0.898061E+00
  10   -0.200629E-06    0.600881E+03  0.333891E-09 0.100000E-04    0.785033E+00
  11   -0.364182E-07    0.586442E+03  0.621003E-10 0.100000E-04    0.888138E+00
  12   -0.281930E-05    0.578885E+03  0.487022E-08 0.100000E-04    0.906972E+00
  13   -0.176251E-06    0.565201E+03  0.311839E-09 0.100000E-04    0.799360E+00
  14    0.158613E-05    0.487432E+03 -0.325405E-08 0.100000E-04    0.914776E+00
  15   -0.788409E-06    0.460727E+03  0.171123E-08 0.100000E-04    0.920332E+00
  16   -0.536850E-06    0.459842E+03  0.116747E-08 0.100000E-04    0.908117E+00
  17   -0.164997E-05    0.441702E+03  0.373548E-08 0.100000E-04    0.898253E+00
  18   -0.819776E-06    0.429236E+03  0.190985E-08 0.100000E-04    0.918649E+00
  19   -0.236133E-06    0.421984E+03  0.559578E-09 0.100000E-04    0.807970E+00
  20   -0.115718E-05    0.408090E+03  0.283560E-08 0.100000E-04    0.943802E+00
  21   -0.876590E-06    0.396392E+03  0.221142E-08 0.100000E-04    0.892314E+00
  22   -0.159890E-05    0.387601E+03  0.412511E-08 0.100000E-04    0.917160E+00
  23    0.223259E-05    0.369974E+03 -0.603447E-08 0.100000E-04    0.902550E+00
  24   -0.916646E-06    0.360540E+03  0.254243E-08 0.100000E-04    0.901593E+00
  25   -0.729768E-06    0.349397E+03  0.208865E-08 0.100000E-04    0.883343E+00
  26   -0.194306E-06    0.335285E+03  0.579525E-09 0.100000E-04    0.818425E+00
  27    0.105155E-05    0.329221E+03 -0.319404E-08 0.100000E-04    0.970323E+00
  28   -0.953368E-06    0.321867E+03  0.296200E-08 0.100000E-04    0.895625E+00
  29    0.442259E-06    0.319061E+03 -0.138613E-08 0.100000E-04    0.944626E+00
  30   -0.478294E-05    0.309540E+03  0.154518E-07 0.100000E-04    0.909961E+00
  31   -0.352316E-05    0.300869E+03  0.117100E-07 0.100000E-04    0.894478E+00
  32   -0.376387E-05    0.290556E+03  0.129540E-07 0.100000E-04    0.924418E+00
  33   -0.283382E-06    0.278857E+03  0.101623E-08 0.100000E-04    0.798291E+00
  34    0.159805E-06    0.272689E+03 -0.586036E-09 0.100000E-04    0.913641E+00
  35    0.300151E-05    0.268501E+03 -0.111788E-07 0.100000E-04    0.897562E+00
  36    0.424836E-05    0.264926E+03 -0.160360E-07 0.100000E-04    0.915093E+00
  37   -0.821877E-06    0.263739E+03  0.311625E-08 0.100000E-04    0.892330E+00
  38   -0.162004E-06    0.253243E+03  0.639717E-09 0.100000E-04    0.775237E+00
  39   -0.729966E-06    0.241526E+03  0.302232E-08 0.100000E-04    0.887802E+00
  40   -0.372164E-05    0.240756E+03  0.154581E-07 0.100000E-04    0.913580E+00
  41   -0.299661E-05    0.233938E+03  0.128094E-07 0.100000E-04    0.895555E+00
  42   -0.528776E-05    0.227508E+03  0.232420E-07 0.100000E-04    0.910058E+00
  43   -0.511072E-06    0.217071E+03  0.235440E-08 0.100000E-04    0.830711E+00
  44   -0.596428E-05    0.214884E+03  0.277557E-07 0.100000E-04    0.901544E+00
  45    0.184937E-05    0.213259E+03 -0.867195E-08 0.100000E-04    0.908722E+00
  46    0.333077E-05    0.207629E+03 -0.160419E-07 0.100000E-04    0.901569E+00
  47   -0.262445E-05    0.203022E+03  0.129269E-07 0.100000E-04    0.906372E+00
  48   -0.277263E-05    0.195511E+03  0.141814E-07 0.100000E-04    0.883429E+00
  49    0.339162E-05    0.194825E+03 -0.174085E-07 0.100000E-04    0.889309E+00
  50    0.519017E-05    0.191345E+03 -0.271247E-07 0.100000E-04    0.902893E+00
  51    0.339368E-06    0.182919E+03 -0.185529E-08 0.100000E-04    0.934444E+00
  52   -0.122001E-05    0.174291E+03  0.699983E-08 0.100000E-04    0.904316E+00
  53    0.705760E-06    0.172309E+03 -0.409590E-08 0.100000E-04    0.928492E+00
  54   -0.134558E-05    0.168204E+03  0.799967E-08 0.100000E-04    0.862922E+00
  55    0.316932E-05    0.163263E+03 -0.194123E-07 0.100000E-04    0.923456E+00
  56   -0.275863E-05    0.156892E+03  0.175830E-07 0.100000E-04    0.921419E+00
  57    0.444892E-06    0.154888E+03 -0.287235E-08 0.100000E-04    0.940779E+00
  58   -0.319921E-05    0.152268E+03  0.210104E-07 0.100000E-04    0.914421E+00
  59    0.105235E-05    0.146712E+03 -0.717289E-08 0.100000E-04    0.911494E+00
  60    0.434632E-06    0.143384E+03 -0.303124E-08 0.100000E-04    0.909752E+00
  61   -0.292952E-05    0.138050E+03  0.212207E-07 0.100000E-04    0.905021E+00
  62    0.223936E-05    0.135871E+03 -0.164815E-07 0.100000E-04    0.885610E+00
  63   -0.663137E-05    0.130317E+03  0.508866E-07 0.100000E-04    0.907547E+00
  64    0.479553E-06    0.128818E+03 -0.372272E-08 0.100000E-04    0.960615E+00
  65   -0.333386E-05    0.126875E+03  0.262767E-07 0.100000E-04    0.900017E+00
  66    0.219085E-05    0.124162E+03 -0.176451E-07 0.100000E-04    0.902657E+00
  67   -0.534554E-05    0.119994E+03  0.445483E-07 0.100000E-04    0.909965E+00
  68    0.544428E-06    0.118166E+03 -0.460729E-08 0.100000E-04    0.870406E+00
  69    0.170305E-06    0.116882E+03 -0.145707E-08 0.100000E-04    0.764298E+00
  70   -0.503926E-05    0.110349E+03  0.456664E-07 0.100000E-04    0.895024E+00
  71    0.184770E-05    0.106862E+03 -0.172904E-07 0.100000E-04    0.910782E+00
  72    0.172491E-05    0.104416E+03 -0.165195E-07 0.100000E-04    0.870890E+00
  73   -0.919763E-07    0.102839E+03  0.894376E-09 0.100000E-04    0.835469E+00
  74   -0.143404E-05    0.995384E+02  0.144069E-07 0.100000E-04    0.995354E+00
  75    0.557249E-06    0.960992E+02 -0.579868E-08 0.100000E-04    0.760178E+00
  76    0.128445E-05    0.941229E+02 -0.136465E-07 0.100000E-04    0.873574E+00
  77   -0.582474E-05    0.920091E+02  0.633062E-07 0.100000E-04    0.942052E+00
  78    0.328167E-06    0.912016E+02 -0.359826E-08 0.100000E-04    0.604104E+00
  79   -0.126196E-05    0.884559E+02  0.142666E-07 0.100000E-04    0.905134E+00
  80   -0.185133E-05    0.855830E+02  0.216320E-07 0.100000E-04    0.867615E+00
  81   -0.371472E-05    0.808240E+02  0.459606E-07 0.100000E-04    0.899269E+00
  82   -0.366890E-05    0.804596E+02  0.455993E-07 0.100000E-04    0.883384E+00
  83    0.666942E-06    0.779599E+02 -0.855494E-08 0.100000E-04    0.696483E+00
  84   -0.195135E-05    0.733053E+02  0.266196E-07 0.100000E-04    0.883439E+00
  85   -0.760033E-05    0.726026E+02  0.104684E-06 0.100000E-04    0.917804E+00
  86    0.893866E-06    0.679347E+02 -0.131577E-07 0.100000E-04    0.864113E+00
  87    0.358837E-05    0.647859E+02 -0.553881E-07 0.100000E-04    0.919658E+00
  88   -0.412956E-05    0.613925E+02  0.672649E-07 0.100000E-04    0.980428E+00
  89   -0.667040E-05    0.598529E+02  0.111447E-06 0.100000E-04    0.913967E+00
  90    0.366089E-05    0.593926E+02 -0.616388E-07 0.100000E-04    0.856090E+00
  91    0.833516E-05    0.581480E+02 -0.143344E-06 0.100000E-04    0.927062E+00
  92    0.115098E-04    0.558702E+02 -0.206009E-06 0.100000E-04    0.895468E+00
  93    0.895974E-05    0.524623E+02 -0.170784E-06 0.100000E-04    0.909022E+00
  94    0.218379E-05    0.520518E+02 -0.419541E-07 0.100000E-04    0.920554E+00
  95    0.759784E-05    0.501866E+02 -0.151392E-06 0.100000E-04    0.910256E+00
  96   -0.523232E-05    0.462190E+02  0.113207E-06 0.100000E-04    0.936758E+00
  97   -0.104874E-04    0.433218E+02  0.242080E-06 0.100000E-04    0.907838E+00
  98    0.503626E-06    0.408987E+02 -0.123140E-07 0.100000E-04    0.893887E+00
  99   -0.712146E-05    0.378750E+02  0.188026E-06 0.100000E-04    0.928814E+00
 100   -0.236112E-05    0.362357E+02  0.651599E-07 0.100000E-04    0.982474E+00
 101    0.354902E-04    0.323124E+02 -0.109835E-05 0.100000E-04    0.914979E+00
 102    0.491037E-06    0.288727E+02 -0.170070E-07 0.100000E-04    0.877331E+00
 103   -0.466999E-05    0.284500E+02  0.164147E-06 0.100000E-04    0.859210E+00
 104    0.157837E-05    0.262876E+02 -0.600425E-07 0.100000E-04    0.798660E+00
 105   -0.151228E-04    0.233193E+02  0.648510E-06 0.100000E-04    0.928273E+00
 106    0.103202E-04    0.213142E+02 -0.484196E-06 0.100000E-04    0.953692E+00
 107   -0.780770E-04    0.198593E+02  0.393151E-05 0.100000E-04    0.909387E+00
 108   -0.338498E-03    0.164785E+02  0.100000E-04 0.100000E-04    0.449392E+00
 109   -0.130902E-04    0.138994E+02  0.941781E-06 0.100000E-04    0.931585E+00
 110   -0.983546E-02    0.122374E+02  0.100000E-04 0.100000E-04    0.270259E+00
 111   -0.849661E-05    0.100910E+02  0.841998E-06 0.100000E-04    0.950195E+00
 112    0.351664E-01    0.893593E+01 -0.100000E-04 0.100000E-04    0.404022E+00
 113   -0.886251E-01    0.574200E+01  0.617421E-04 0.617421E-04    0.251387E+00
 114   -0.912361E+00    0.319719E+01 -0.265254E-04 0.265254E-04    0.762777E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.6174211388E-04    0.2652808675    

 Beginning of optimization cycle  528.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3000914123
 potential> RMS force:                                               0.0859249598   |gradient|=.9174275195    
 Eigenvalues of the Hessian matrix:
   746.38635    674.18975    630.50852    600.87735    586.43963    578.88675 
   565.19125    487.43212    460.72479    459.83976    441.69999    429.24088 
   421.98354    408.08645    396.39122    387.59914    369.97428    360.54058 
   349.39615    335.28641    329.22349    321.86549    319.06386    309.53616 
   300.86798    290.55702    278.86071    272.69079    268.50281    264.92716 
   263.74202    253.24198    241.52722    240.75768    233.94019    227.50986 
   217.07265    214.88428    213.25823    207.63069    203.02125    195.50883 
   194.82612    191.34513    182.92098    174.29327    172.30937    168.20516 
   163.26189    156.89064    154.88930    152.26785    146.71068    143.38297 
   138.05160    135.87122    130.31551    128.81862    126.87537    124.15863 
   119.99471    118.16655    116.88016    110.34992    106.86154    104.41680 
   102.83878     99.53754     96.09864     94.12193     92.00774     91.20256 
    88.45453     85.58370     80.82406     80.46110     77.95927     73.30451 
    72.60076     67.93340     64.78439     61.39103     59.85215     59.39231 
    58.14724     55.86952     52.46173     52.05071     50.18788     46.21730 
    43.32260     40.89892     37.87431     36.23376     32.31111     28.87349 
    28.45002     26.28808     23.31958     21.31418     19.85897     16.47799 
    13.89954     12.23750     10.09101      8.93925      5.74208      3.19645 
overlap for current and previous eigenvector    109 is         0.9999999390
overlap for current and previous eigenvector    110 is         0.9999999876
overlap for current and previous eigenvector    111 is         0.9999998613
overlap for current and previous eigenvector    112 is         0.9999997005
overlap for current and previous eigenvector    113 is         0.9999995848
overlap for current and previous eigenvector    114 is         0.9999997380
J1,K1,R1,R2,RAT=   7   7    0.8457538560E-01     1.915392636        0.9153926358    
FOB,PFOB,DIAG,PSTEP=   -0.5331918647E-06   -0.5824539170E-06     746.3863458        0.7803776603E-09
J1,K1,R1,R2,RAT=   8   8    0.1039917328         1.896019140        0.8960082672    
FOB,PFOB,DIAG,PSTEP=   -0.1055040966E-05   -0.1177489471E-05     674.1897495        0.1746515830E-08
J1,K1,R1,R2,RAT=   9   9    0.1015279092         1.898451650        0.8984516496    
FOB,PFOB,DIAG,PSTEP=   -0.1548857454E-05   -0.1723881308E-05     630.5085217        0.2734140567E-08
J1,K1,R1,R2,RAT=  10  10    0.2490107823         1.751001262        0.7509892177    
FOB,PFOB,DIAG,PSTEP=   -0.1506703423E-06   -0.2006287679E-06     600.8773524        0.3338910326E-09
J1,K1,R1,R2,RAT=  11  11    0.1144017089         1.885606299        0.8855982911    
FOB,PFOB,DIAG,PSTEP=   -0.3225192433E-07   -0.3641821351E-07     586.4396268        0.6210028456E-10
J1,K1,R1,R2,RAT= 109 109    0.6622195863E-01     1.933758536        0.9337585356    
FOB,PFOB,DIAG,PSTEP=   -0.1222333452E-04   -0.1309020178E-04     13.89954327        0.9417812650E-06
J1,K1,R1,R2,RAT= 110 110     1.241638176         159.5013269        0.2416381757    
FOB,PFOB,DIAG,PSTEP=   -0.9683515295E-02   -0.9835460776E-02     12.23750075        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.4407010770E-01     1.955929745        0.9559297448    
FOB,PFOB,DIAG,PSTEP=   -0.8122162694E-05   -0.8496609204E-05     10.09100635        0.8419982645E-06
J1,K1,R1,R2,RAT= 112 112   -0.4607468403         787.2474553        0.5392531597    
FOB,PFOB,DIAG,PSTEP=    0.3520760098E-01    0.3516641367E-01     8.939249556       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7607546313         500.7215661        0.2392453687    
FOB,PFOB,DIAG,PSTEP=   -0.8889483402E-01   -0.8862512498E-01     5.742082098        0.6174211388E-04
J1,K1,R1,R2,RAT= 114 114    0.2287234792        -21521.43208        0.7712765208    
FOB,PFOB,DIAG,PSTEP=   -0.9123801568       -0.9123607640         3.196446955       -0.2652543672E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00001      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00001      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00001      0.00000      0.00000     -0.00000     -0.00001      0.00000 
     0.00001      0.00001      0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000     -0.00001     -0.00000      0.00003      0.00000 
    -0.00000      0.00000     -0.00001      0.00001     -0.00007     -0.00024 
    -0.00001     -0.00968     -0.00001      0.03521     -0.08889     -0.91238 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846375726
 Log product of positive Hessian eigenvalues =          519.0680777060
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1964469550
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000016
 Unscaled step for mode    9=        0.0000000025
 Unscaled step for mode   10=        0.0000000003
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000044
 Unscaled step for mode   13=        0.0000000002
 Unscaled step for mode   14=       -0.0000000030
 Unscaled step for mode   15=        0.0000000016
 Unscaled step for mode   16=        0.0000000011
 Unscaled step for mode   17=        0.0000000034
 Unscaled step for mode   18=        0.0000000018
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000027
 Unscaled step for mode   21=        0.0000000020
 Unscaled step for mode   22=        0.0000000038
 Unscaled step for mode   23=       -0.0000000054
 Unscaled step for mode   24=        0.0000000023
 Unscaled step for mode   25=        0.0000000018
 Unscaled step for mode   26=        0.0000000005
 Unscaled step for mode   27=       -0.0000000031
 Unscaled step for mode   28=        0.0000000027
 Unscaled step for mode   29=       -0.0000000013
 Unscaled step for mode   30=        0.0000000141
 Unscaled step for mode   31=        0.0000000105
 Unscaled step for mode   32=        0.0000000120
 Unscaled step for mode   33=        0.0000000008
 Unscaled step for mode   34=       -0.0000000005
 Unscaled step for mode   35=       -0.0000000100
 Unscaled step for mode   36=       -0.0000000147
 Unscaled step for mode   37=        0.0000000028
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000027
 Unscaled step for mode   40=        0.0000000141
 Unscaled step for mode   41=        0.0000000115
 Unscaled step for mode   42=        0.0000000212
 Unscaled step for mode   43=        0.0000000019
 Unscaled step for mode   44=        0.0000000250
 Unscaled step for mode   45=       -0.0000000079
 Unscaled step for mode   46=       -0.0000000145
 Unscaled step for mode   47=        0.0000000117
 Unscaled step for mode   48=        0.0000000125
 Unscaled step for mode   49=       -0.0000000155
 Unscaled step for mode   50=       -0.0000000245
 Unscaled step for mode   51=       -0.0000000020
 Unscaled step for mode   52=        0.0000000063
 Unscaled step for mode   53=       -0.0000000038
 Unscaled step for mode   54=        0.0000000069
 Unscaled step for mode   55=       -0.0000000180
 Unscaled step for mode   56=        0.0000000162
 Unscaled step for mode   57=       -0.0000000027
 Unscaled step for mode   58=        0.0000000192
 Unscaled step for mode   59=       -0.0000000066
 Unscaled step for mode   60=       -0.0000000028
 Unscaled step for mode   61=        0.0000000192
 Unscaled step for mode   62=       -0.0000000146
 Unscaled step for mode   63=        0.0000000462
 Unscaled step for mode   64=       -0.0000000036
 Unscaled step for mode   65=        0.0000000237
 Unscaled step for mode   66=       -0.0000000159
 Unscaled step for mode   67=        0.0000000406
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000017
 Unscaled step for mode   70=        0.0000000408
 Unscaled step for mode   71=       -0.0000000158
 Unscaled step for mode   72=       -0.0000000144
 Unscaled step for mode   73=        0.0000000007
 Unscaled step for mode   74=        0.0000000145
 Unscaled step for mode   75=       -0.0000000042
 Unscaled step for mode   76=       -0.0000000119
 Unscaled step for mode   77=       -0.0000000598
 Unscaled step for mode   78=        0.0000000045
 Unscaled step for mode   79=        0.0000000129
 Unscaled step for mode   80=        0.0000000186
 Unscaled step for mode   81=        0.0000000413
 Unscaled step for mode   82=        0.0000000402
 Unscaled step for mode   83=       -0.0000000052
 Unscaled step for mode   84=        0.0000000234
 Unscaled step for mode   85=        0.0000000962
 Unscaled step for mode   86=       -0.0000000113
 Unscaled step for mode   87=       -0.0000000510
 Unscaled step for mode   88=        0.0000000661
 Unscaled step for mode   89=        0.0000001020
 Unscaled step for mode   90=       -0.0000000524
 Unscaled step for mode   91=       -0.0000001332
 Unscaled step for mode   92=       -0.0000001843
 Unscaled step for mode   93=       -0.0000001555
 Unscaled step for mode   94=       -0.0000000387
 Unscaled step for mode   95=       -0.0000001379
 Unscaled step for mode   96=        0.0000001062
 Unscaled step for mode   97=        0.0000002199
 Unscaled step for mode   98=       -0.0000000108
 Unscaled step for mode   99=        0.0000001749
 Unscaled step for mode  100=        0.0000000640
 Unscaled step for mode  101=       -0.0000010065
 Unscaled step for mode  102=       -0.0000000188
 Unscaled step for mode  103=        0.0000001403
 Unscaled step for mode  104=       -0.0000000462
 Unscaled step for mode  105=        0.0000006030
 Unscaled step for mode  106=       -0.0000004630
 Unscaled step for mode  107=        0.0000035783
 Unscaled step for mode  108=        0.0000146440
 Unscaled step for mode  109=        0.0000008794
 Unscaled step for mode  110=        0.0007912979
 Unscaled step for mode  111=        0.0000008049
 Unscaled step for mode  112=       -0.0039384799
 Unscaled step for mode  113=        0.0154775807
 Unscaled step for mode  114=       -0.2653395949
 Largest modulus ratio of non-zero e/values=           233.5049999    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.357570E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.122135E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.160625E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.225335E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.764579E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.287193E-14    0.974268E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.533192E-06    0.746386E+03  0.714364E-09 0.100000E-04    0.915393E+00
   8   -0.105504E-05    0.674190E+03  0.156490E-08 0.100000E-04    0.896008E+00
   9   -0.154886E-05    0.630509E+03  0.245652E-08 0.100000E-04    0.898452E+00
  10   -0.150670E-06    0.600877E+03  0.250751E-09 0.100000E-04    0.750989E+00
  11   -0.322519E-07    0.586440E+03  0.549962E-10 0.100000E-04    0.885598E+00
  12   -0.255988E-05    0.578887E+03  0.442207E-08 0.100000E-04    0.907978E+00
  13   -0.137008E-06    0.565191E+03  0.242410E-09 0.100000E-04    0.777341E+00
  14    0.145427E-05    0.487432E+03 -0.298353E-08 0.100000E-04    0.916865E+00
  15   -0.727564E-06    0.460725E+03  0.157917E-08 0.100000E-04    0.922825E+00
  16   -0.488773E-06    0.459840E+03  0.106292E-08 0.100000E-04    0.910447E+00
  17   -0.148243E-05    0.441700E+03  0.335620E-08 0.100000E-04    0.898462E+00
  18   -0.754453E-06    0.429241E+03  0.175764E-08 0.100000E-04    0.920294E+00
  19   -0.186255E-06    0.421984E+03  0.441380E-09 0.100000E-04    0.788770E+00
  20   -0.109400E-05    0.408086E+03  0.268081E-08 0.100000E-04    0.945401E+00
  21   -0.780891E-06    0.396391E+03  0.197000E-08 0.100000E-04    0.890827E+00
  22   -0.146927E-05    0.387599E+03  0.379069E-08 0.100000E-04    0.918926E+00
  23    0.201553E-05    0.369974E+03 -0.544776E-08 0.100000E-04    0.902772E+00
  24   -0.825859E-06    0.360541E+03  0.229061E-08 0.100000E-04    0.900954E+00
  25   -0.643807E-06    0.349396E+03  0.184263E-08 0.100000E-04    0.882207E+00
  26   -0.157019E-06    0.335286E+03  0.468312E-09 0.100000E-04    0.808092E+00
  27    0.102193E-05    0.329223E+03 -0.310406E-08 0.100000E-04    0.971822E+00
  28   -0.854642E-06    0.321865E+03  0.265528E-08 0.100000E-04    0.896445E+00
  29    0.418688E-06    0.319064E+03 -0.131224E-08 0.100000E-04    0.946686E+00
  30   -0.435864E-05    0.309536E+03  0.140812E-07 0.100000E-04    0.911288E+00
  31   -0.315053E-05    0.300868E+03  0.104715E-07 0.100000E-04    0.894234E+00
  32   -0.348849E-05    0.290557E+03  0.120062E-07 0.100000E-04    0.926827E+00
  33   -0.219840E-06    0.278861E+03  0.788350E-09 0.100000E-04    0.775748E+00
  34    0.145772E-06    0.272691E+03 -0.534567E-09 0.100000E-04    0.912168E+00
  35    0.269361E-05    0.268503E+03 -0.100320E-07 0.100000E-04    0.897405E+00
  36    0.389639E-05    0.264927E+03 -0.147074E-07 0.100000E-04    0.917142E+00
  37   -0.733877E-06    0.263742E+03  0.278256E-08 0.100000E-04    0.892908E+00
  38   -0.119445E-06    0.253242E+03  0.471665E-09 0.100000E-04    0.737300E+00
  39   -0.646702E-06    0.241527E+03  0.267755E-08 0.100000E-04    0.885921E+00
  40   -0.340538E-05    0.240758E+03  0.141444E-07 0.100000E-04    0.915009E+00
  41   -0.268425E-05    0.233940E+03  0.114741E-07 0.100000E-04    0.895747E+00
  42   -0.481905E-05    0.227510E+03  0.211817E-07 0.100000E-04    0.911349E+00
  43   -0.419430E-06    0.217073E+03  0.193221E-08 0.100000E-04    0.820669E+00
  44   -0.537937E-05    0.214884E+03  0.250338E-07 0.100000E-04    0.901931E+00
  45    0.168192E-05    0.213258E+03 -0.788676E-08 0.100000E-04    0.909454E+00
  46    0.300482E-05    0.207631E+03 -0.144719E-07 0.100000E-04    0.902126E+00
  47   -0.238138E-05    0.203021E+03  0.117297E-07 0.100000E-04    0.907383E+00
  48   -0.244528E-05    0.195509E+03  0.125073E-07 0.100000E-04    0.881936E+00
  49    0.301168E-05    0.194826E+03 -0.154583E-07 0.100000E-04    0.887967E+00
  50    0.468667E-05    0.191345E+03 -0.244933E-07 0.100000E-04    0.902986E+00
  51    0.357448E-06    0.182921E+03 -0.195411E-08 0.100000E-04    0.946727E+00
  52   -0.110527E-05    0.174293E+03  0.634142E-08 0.100000E-04    0.905928E+00
  53    0.656895E-06    0.172309E+03 -0.381230E-08 0.100000E-04    0.930758E+00
  54   -0.115471E-05    0.168205E+03  0.686488E-08 0.100000E-04    0.858139E+00
  55    0.293291E-05    0.163262E+03 -0.179645E-07 0.100000E-04    0.925407E+00
  56   -0.254884E-05    0.156891E+03  0.162460E-07 0.100000E-04    0.923951E+00
  57    0.418286E-06    0.154889E+03 -0.270055E-08 0.100000E-04    0.940181E+00
  58   -0.292920E-05    0.152268E+03  0.192372E-07 0.100000E-04    0.915602E+00
  59    0.960957E-06    0.146711E+03 -0.655001E-08 0.100000E-04    0.913152E+00
  60    0.395722E-06    0.143383E+03 -0.275990E-08 0.100000E-04    0.910476E+00
  61   -0.265106E-05    0.138052E+03  0.192034E-07 0.100000E-04    0.904926E+00
  62    0.197929E-05    0.135871E+03 -0.145674E-07 0.100000E-04    0.883862E+00
  63   -0.602267E-05    0.130316E+03  0.462161E-07 0.100000E-04    0.908209E+00
  64    0.459719E-06    0.128819E+03 -0.356873E-08 0.100000E-04    0.958630E+00
  65   -0.300063E-05    0.126875E+03  0.236502E-07 0.100000E-04    0.900041E+00
  66    0.197904E-05    0.124159E+03 -0.159396E-07 0.100000E-04    0.903321E+00
  67   -0.487026E-05    0.119995E+03  0.405873E-07 0.100000E-04    0.911082E+00
  68    0.471551E-06    0.118167E+03 -0.399056E-08 0.100000E-04    0.866140E+00
  69    0.200618E-06    0.116880E+03 -0.171645E-08 0.100000E-04    0.822002E+00
  70   -0.450667E-05    0.110350E+03  0.408398E-07 0.100000E-04    0.894305E+00
  71    0.168535E-05    0.106862E+03 -0.157713E-07 0.100000E-04    0.912135E+00
  72    0.149841E-05    0.104417E+03 -0.143503E-07 0.100000E-04    0.868681E+00
  73   -0.733519E-07    0.102839E+03  0.713271E-09 0.100000E-04    0.797506E+00
  74   -0.144031E-05    0.995375E+02  0.144700E-07 0.100000E-04    0.995632E+00
  75    0.403497E-06    0.960986E+02 -0.419878E-08 0.100000E-04    0.724087E+00
  76    0.111703E-05    0.941219E+02 -0.118679E-07 0.100000E-04    0.869657E+00
  77    0.550461E-05    0.920077E+02 -0.598277E-07 0.100000E-04    0.945038E+00
  78   -0.411796E-06    0.912026E+02  0.451518E-08 0.100000E-04    0.745166E+00
  79   -0.114391E-05    0.884545E+02  0.129321E-07 0.100000E-04    0.906447E+00
  80   -0.159571E-05    0.855837E+02  0.186450E-07 0.100000E-04    0.861913E+00
  81   -0.334121E-05    0.808241E+02  0.413392E-07 0.100000E-04    0.899450E+00
  82   -0.323470E-05    0.804611E+02  0.402020E-07 0.100000E-04    0.881619E+00
  83    0.405414E-06    0.779593E+02 -0.520033E-08 0.100000E-04    0.607867E+00
  84   -0.171623E-05    0.733045E+02  0.234124E-07 0.100000E-04    0.879508E+00
  85   -0.698625E-05    0.726008E+02  0.962283E-07 0.100000E-04    0.919202E+00
  86    0.765706E-06    0.679334E+02 -0.112714E-07 0.100000E-04    0.856620E+00
  87    0.330601E-05    0.647844E+02 -0.510310E-07 0.100000E-04    0.921312E+00
  88   -0.405926E-05    0.613910E+02  0.661214E-07 0.100000E-04    0.982976E+00
  89   -0.610608E-05    0.598521E+02  0.102019E-06 0.100000E-04    0.915399E+00
  90    0.310987E-05    0.593923E+02 -0.523615E-07 0.100000E-04    0.849484E+00
  91    0.774572E-05    0.581472E+02 -0.133209E-06 0.100000E-04    0.929282E+00
  92    0.102993E-04    0.558695E+02 -0.184345E-06 0.100000E-04    0.894828E+00
  93    0.815578E-05    0.524617E+02 -0.155462E-06 0.100000E-04    0.910269E+00
  94    0.201360E-05    0.520507E+02 -0.386854E-07 0.100000E-04    0.922068E+00
  95    0.692311E-05    0.501879E+02 -0.137944E-06 0.100000E-04    0.911144E+00
  96   -0.491049E-05    0.462173E+02  0.106248E-06 0.100000E-04    0.938489E+00
  97   -0.952592E-05    0.433226E+02  0.219883E-06 0.100000E-04    0.908289E+00
  98    0.442638E-06    0.408989E+02 -0.108227E-07 0.100000E-04    0.878892E+00
  99   -0.662582E-05    0.378743E+02  0.174942E-06 0.100000E-04    0.930400E+00
 100   -0.231732E-05    0.362338E+02  0.639547E-07 0.100000E-04    0.981451E+00
 101    0.325220E-04    0.323111E+02 -0.100653E-05 0.100000E-04    0.916361E+00
 102    0.543518E-06    0.288735E+02 -0.188241E-07 0.100000E-04    0.893125E+00
 103   -0.399041E-05    0.284500E+02  0.140260E-06 0.100000E-04    0.854479E+00
 104    0.121392E-05    0.262881E+02 -0.461775E-07 0.100000E-04    0.769062E+00
 105   -0.140617E-04    0.233196E+02  0.603000E-06 0.100000E-04    0.929813E+00
 106    0.986861E-05    0.213142E+02 -0.463007E-06 0.100000E-04    0.956237E+00
 107   -0.710621E-04    0.198590E+02  0.357834E-05 0.100000E-04    0.910153E+00
 108   -0.241303E-03    0.164780E+02  0.100000E-04 0.100000E-04    0.410155E+00
 109   -0.122233E-04    0.138995E+02  0.879405E-06 0.100000E-04    0.933759E+00
 110   -0.968352E-02    0.122375E+02  0.100000E-04 0.100000E-04    0.241638E+00
 111   -0.812216E-05    0.100910E+02  0.804891E-06 0.100000E-04    0.955930E+00
 112    0.352076E-01    0.893925E+01 -0.100000E-04 0.100000E-04    0.539253E+00
 113   -0.888948E-01    0.574208E+01  0.556235E-04 0.556235E-04    0.239245E+00
 114   -0.912380E+00    0.319645E+01 -0.238968E-04 0.238968E-04    0.771277E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.5562352602E-04    0.2653395949    

 Beginning of optimization cycle  529.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3000749938
 potential> RMS force:                                               0.0859287313   |gradient|=.9174677883    
 Eigenvalues of the Hessian matrix:
   746.39737    674.18661    630.51445    600.87395    586.43755    578.88871 
   565.18282    487.43197    460.72252    459.83781    441.69821    429.24510 
   421.98271    408.08343    396.39030    387.59711    369.97493    360.54105 
   349.39553    335.28774    329.22524    321.86457    319.06650    309.53296 
   300.86703    290.55826    278.86433    272.69255    268.50445    264.92826 
   263.74447    253.24138    241.52873    240.75905    233.94213    227.51110 
   217.07459    214.88419    213.25770    207.63200    203.02031    195.50663 
   194.82702    191.34548    182.92234    174.29520    172.30975    168.20610 
   163.26059    156.88982    154.89038    152.26768    146.70922    143.38179 
   138.05292    135.87123    130.31460    128.81926    126.87573    124.15603 
   119.99505    118.16666    116.87881    110.35031    106.86069    104.41736 
   102.83900     99.53673     96.09815     94.12109     92.00654     91.20343 
    88.45331     85.58427     80.82410     80.46242     77.95875     73.30382 
    72.59910     67.93227     64.78299     61.38971     59.85143     59.39207 
    58.14659     55.86899     52.46123     52.04975     50.18911     46.21574 
    43.32329     40.89915     37.87374     36.23205     32.30998     28.87423 
    28.45001     26.28853     23.31983     21.31422     19.85870     16.47758 
    13.89967     12.23760     10.09101      8.94230      5.74216      3.19576 
overlap for current and previous eigenvector    109 is         0.9999999492
overlap for current and previous eigenvector    110 is         0.9999999895
overlap for current and previous eigenvector    111 is         0.9999998864
overlap for current and previous eigenvector    112 is         0.9999997488
overlap for current and previous eigenvector    113 is         0.9999996522
overlap for current and previous eigenvector    114 is         0.9999997837
J1,K1,R1,R2,RAT=   7   7    0.8165549834E-01     1.918314951        0.9183149508    
FOB,PFOB,DIAG,PSTEP=   -0.4896531740E-06   -0.5331918647E-06     746.3973741        0.7143644411E-09
J1,K1,R1,R2,RAT=   8   8    0.1050427698         1.894966535        0.8949572302    
FOB,PFOB,DIAG,PSTEP=   -0.9442170565E-06   -0.1055040966E-05     674.1866128        0.1564902117E-08
J1,K1,R1,R2,RAT=   9   9    0.1012589160         1.898722276        0.8987222764    
FOB,PFOB,DIAG,PSTEP=   -0.1392020352E-05   -0.1548857454E-05     630.5144509        0.2456521047E-08
J1,K1,R1,R2,RAT=  10  10    0.3006055781         1.699405757        0.6993944219    
FOB,PFOB,DIAG,PSTEP=   -0.1053782537E-06   -0.1506703423E-06     600.8739468        0.2507505762E-09
J1,K1,R1,R2,RAT=  11  11    0.1291556821         1.870851409        0.8708443179    
FOB,PFOB,DIAG,PSTEP=   -0.2808641982E-07   -0.3225192433E-07     586.4375475        0.5499615453E-10
J1,K1,R1,R2,RAT= 109 109    0.6393168257E-01     1.936049521        0.9360495207    
FOB,PFOB,DIAG,PSTEP=   -0.1144186884E-04   -0.1222333452E-04     13.89967391        0.8794054800E-06
J1,K1,R1,R2,RAT= 110 110     1.215793212         157.0426394        0.2157932124    
FOB,PFOB,DIAG,PSTEP=   -0.9534731411E-02   -0.9683515295E-02     12.23759788        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.3742615648E-01     1.962573377        0.9625733765    
FOB,PFOB,DIAG,PSTEP=   -0.7818181291E-05   -0.8122162694E-05     10.09100870        0.8048912482E-06
J1,K1,R1,R2,RAT= 112 112   -0.3391003056         787.7782209        0.6608996944    
FOB,PFOB,DIAG,PSTEP=    0.3523792436E-01    0.3520760098E-01     8.942304252       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7743130371         557.4118009        0.2256869629    
FOB,PFOB,DIAG,PSTEP=   -0.8914214912E-01   -0.8889483402E-01     5.742163469        0.5562352602E-04
J1,K1,R1,R2,RAT= 114 114    0.2197363290        -23894.38816        0.7802636710    
FOB,PFOB,DIAG,PSTEP=   -0.9123969377       -0.9123801568         3.195761366       -0.2389678983E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00001      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00001      0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00001      0.00001      0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000     -0.00001     -0.00000      0.00003      0.00000 
    -0.00000      0.00000     -0.00001      0.00001     -0.00006     -0.00014 
    -0.00001     -0.00953     -0.00001      0.03524     -0.08914     -0.91240 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846363121
 Log product of positive Hessian eigenvalues =          519.0680240717
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1957613661
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000014
 Unscaled step for mode    9=        0.0000000022
 Unscaled step for mode   10=        0.0000000002
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000040
 Unscaled step for mode   13=        0.0000000002
 Unscaled step for mode   14=       -0.0000000027
 Unscaled step for mode   15=        0.0000000015
 Unscaled step for mode   16=        0.0000000010
 Unscaled step for mode   17=        0.0000000030
 Unscaled step for mode   18=        0.0000000016
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000025
 Unscaled step for mode   21=        0.0000000018
 Unscaled step for mode   22=        0.0000000035
 Unscaled step for mode   23=       -0.0000000049
 Unscaled step for mode   24=        0.0000000021
 Unscaled step for mode   25=        0.0000000016
 Unscaled step for mode   26=        0.0000000004
 Unscaled step for mode   27=       -0.0000000030
 Unscaled step for mode   28=        0.0000000024
 Unscaled step for mode   29=       -0.0000000012
 Unscaled step for mode   30=        0.0000000128
 Unscaled step for mode   31=        0.0000000094
 Unscaled step for mode   32=        0.0000000112
 Unscaled step for mode   33=        0.0000000006
 Unscaled step for mode   34=       -0.0000000005
 Unscaled step for mode   35=       -0.0000000090
 Unscaled step for mode   36=       -0.0000000135
 Unscaled step for mode   37=        0.0000000025
 Unscaled step for mode   38=        0.0000000003
 Unscaled step for mode   39=        0.0000000024
 Unscaled step for mode   40=        0.0000000130
 Unscaled step for mode   41=        0.0000000103
 Unscaled step for mode   42=        0.0000000193
 Unscaled step for mode   43=        0.0000000016
 Unscaled step for mode   44=        0.0000000226
 Unscaled step for mode   45=       -0.0000000072
 Unscaled step for mode   46=       -0.0000000131
 Unscaled step for mode   47=        0.0000000107
 Unscaled step for mode   48=        0.0000000110
 Unscaled step for mode   49=       -0.0000000137
 Unscaled step for mode   50=       -0.0000000221
 Unscaled step for mode   51=       -0.0000000020
 Unscaled step for mode   52=        0.0000000057
 Unscaled step for mode   53=       -0.0000000036
 Unscaled step for mode   54=        0.0000000058
 Unscaled step for mode   55=       -0.0000000167
 Unscaled step for mode   56=        0.0000000150
 Unscaled step for mode   57=       -0.0000000025
 Unscaled step for mode   58=        0.0000000176
 Unscaled step for mode   59=       -0.0000000060
 Unscaled step for mode   60=       -0.0000000025
 Unscaled step for mode   61=        0.0000000174
 Unscaled step for mode   62=       -0.0000000128
 Unscaled step for mode   63=        0.0000000420
 Unscaled step for mode   64=       -0.0000000034
 Unscaled step for mode   65=        0.0000000213
 Unscaled step for mode   66=       -0.0000000144
 Unscaled step for mode   67=        0.0000000370
 Unscaled step for mode   68=       -0.0000000034
 Unscaled step for mode   69=       -0.0000000020
 Unscaled step for mode   70=        0.0000000365
 Unscaled step for mode   71=        0.0000000144
 Unscaled step for mode   72=        0.0000000124
 Unscaled step for mode   73=       -0.0000000005
 Unscaled step for mode   74=       -0.0000000145
 Unscaled step for mode   75=       -0.0000000028
 Unscaled step for mode   76=       -0.0000000103
 Unscaled step for mode   77=        0.0000000567
 Unscaled step for mode   78=        0.0000000053
 Unscaled step for mode   79=        0.0000000117
 Unscaled step for mode   80=       -0.0000000160
 Unscaled step for mode   81=       -0.0000000372
 Unscaled step for mode   82=       -0.0000000354
 Unscaled step for mode   83=        0.0000000022
 Unscaled step for mode   84=        0.0000000205
 Unscaled step for mode   85=        0.0000000886
 Unscaled step for mode   86=       -0.0000000096
 Unscaled step for mode   87=       -0.0000000471
 Unscaled step for mode   88=       -0.0000000651
 Unscaled step for mode   89=        0.0000000936
 Unscaled step for mode   90=       -0.0000000440
 Unscaled step for mode   91=        0.0000001241
 Unscaled step for mode   92=       -0.0000001648
 Unscaled step for mode   93=       -0.0000001417
 Unscaled step for mode   94=       -0.0000000358
 Unscaled step for mode   95=       -0.0000001258
 Unscaled step for mode   96=        0.0000001000
 Unscaled step for mode   97=        0.0000001999
 Unscaled step for mode   98=       -0.0000000094
 Unscaled step for mode   99=        0.0000001631
 Unscaled step for mode  100=        0.0000000628
 Unscaled step for mode  101=       -0.0000009237
 Unscaled step for mode  102=       -0.0000000206
 Unscaled step for mode  103=        0.0000001188
 Unscaled step for mode  104=       -0.0000000333
 Unscaled step for mode  105=        0.0000005618
 Unscaled step for mode  106=       -0.0000004443
 Unscaled step for mode  107=        0.0000032596
 Unscaled step for mode  108=        0.0000083916
 Unscaled step for mode  109=        0.0000008232
 Unscaled step for mode  110=        0.0007791338
 Unscaled step for mode  111=        0.0000007748
 Unscaled step for mode  112=       -0.0039405254
 Unscaled step for mode  113=        0.0155204004
 Unscaled step for mode  114=       -0.2653932670
 Largest modulus ratio of non-zero e/values=           233.5585448    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.312575E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.166880E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.114925E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.870504E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.184762E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.200905E-14    0.974268E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.489653E-06    0.746397E+03  0.656022E-09 0.100000E-04    0.918315E+00
   8   -0.944217E-06    0.674187E+03  0.140053E-08 0.100000E-04    0.894957E+00
   9   -0.139202E-05    0.630514E+03  0.220775E-08 0.100000E-04    0.898722E+00
  10   -0.105378E-06    0.600874E+03  0.175375E-09 0.100000E-04    0.699394E+00
  11   -0.280864E-07    0.586438E+03  0.478933E-10 0.100000E-04    0.870844E+00
  12   -0.232677E-05    0.578889E+03  0.401937E-08 0.100000E-04    0.908931E+00
  13   -0.101990E-06    0.565183E+03  0.180454E-09 0.100000E-04    0.744402E+00
  14    0.133630E-05    0.487432E+03 -0.274151E-08 0.100000E-04    0.918881E+00
  15   -0.673050E-06    0.460723E+03  0.146086E-08 0.100000E-04    0.925073E+00
  16   -0.446012E-06    0.459838E+03  0.969933E-09 0.100000E-04    0.912512E+00
  17   -0.133283E-05    0.441698E+03  0.301751E-08 0.100000E-04    0.899081E+00
  18   -0.695317E-06    0.429245E+03  0.161986E-08 0.100000E-04    0.921599E+00
  19   -0.142019E-06    0.421983E+03  0.336552E-09 0.100000E-04    0.762498E+00
  20   -0.103653E-05    0.408083E+03  0.253999E-08 0.100000E-04    0.947465E+00
  21   -0.694495E-06    0.396390E+03  0.175205E-08 0.100000E-04    0.889362E+00
  22   -0.135273E-05    0.387597E+03  0.349004E-08 0.100000E-04    0.920682E+00
  23    0.182014E-05    0.369975E+03 -0.491963E-08 0.100000E-04    0.903053E+00
  24   -0.744350E-06    0.360541E+03  0.206454E-08 0.100000E-04    0.901302E+00
  25   -0.567147E-06    0.349396E+03  0.162322E-08 0.100000E-04    0.880928E+00
  26   -0.124826E-06    0.335288E+03  0.372295E-09 0.100000E-04    0.794967E+00
  27    0.995399E-06    0.329225E+03 -0.302346E-08 0.100000E-04    0.974029E+00
  28   -0.766524E-06    0.321865E+03  0.238151E-08 0.100000E-04    0.896894E+00
  29    0.396545E-06    0.319067E+03 -0.124283E-08 0.100000E-04    0.947097E+00
  30   -0.397687E-05    0.309533E+03  0.128480E-07 0.100000E-04    0.912408E+00
  31   -0.281624E-05    0.300867E+03  0.936041E-08 0.100000E-04    0.893893E+00
  32   -0.324118E-05    0.290558E+03  0.111550E-07 0.100000E-04    0.929098E+00
  33   -0.162507E-06    0.278864E+03  0.582745E-09 0.100000E-04    0.739183E+00
  34    0.132558E-06    0.272693E+03 -0.486109E-09 0.100000E-04    0.909344E+00
  35    0.241620E-05    0.268504E+03 -0.899875E-08 0.100000E-04    0.897001E+00
  36    0.358001E-05    0.264928E+03 -0.135131E-07 0.100000E-04    0.918795E+00
  37   -0.654516E-06    0.263744E+03  0.248163E-08 0.100000E-04    0.891843E+00
  38   -0.813355E-07    0.253241E+03  0.321178E-09 0.100000E-04    0.680942E+00
  39   -0.571243E-06    0.241529E+03  0.236511E-08 0.100000E-04    0.883305E+00
  40   -0.312135E-05    0.240759E+03  0.129646E-07 0.100000E-04    0.916583E+00
  41   -0.240433E-05    0.233942E+03  0.102775E-07 0.100000E-04    0.895702E+00
  42   -0.439778E-05    0.227511E+03  0.193300E-07 0.100000E-04    0.912571E+00
  43   -0.337638E-06    0.217075E+03  0.155540E-08 0.100000E-04    0.804977E+00
  44   -0.485368E-05    0.214884E+03  0.225874E-07 0.100000E-04    0.902277E+00
  45    0.153153E-05    0.213258E+03 -0.718158E-08 0.100000E-04    0.910584E+00
  46    0.271198E-05    0.207632E+03 -0.130615E-07 0.100000E-04    0.902532E+00
  47   -0.216335E-05    0.203020E+03  0.106558E-07 0.100000E-04    0.908442E+00
  48   -0.215036E-05    0.195507E+03  0.109989E-07 0.100000E-04    0.879389E+00
  49    0.266944E-05    0.194827E+03 -0.137016E-07 0.100000E-04    0.886353E+00
  50    0.423284E-05    0.191345E+03 -0.221214E-07 0.100000E-04    0.903161E+00
  51    0.373017E-06    0.182922E+03 -0.203921E-08 0.100000E-04    0.956445E+00
  52   -0.100177E-05    0.174295E+03  0.574752E-08 0.100000E-04    0.906335E+00
  53    0.613511E-06    0.172310E+03 -0.356052E-08 0.100000E-04    0.933953E+00
  54   -0.983048E-06    0.168206E+03  0.584431E-08 0.100000E-04    0.851329E+00
  55    0.272056E-05    0.163261E+03 -0.166639E-07 0.100000E-04    0.927596E+00
  56   -0.236058E-05    0.156890E+03  0.150461E-07 0.100000E-04    0.926138E+00
  57    0.393968E-06    0.154890E+03 -0.254353E-08 0.100000E-04    0.941849E+00
  58   -0.268629E-05    0.152268E+03  0.176419E-07 0.100000E-04    0.917073E+00
  59    0.878870E-06    0.146709E+03 -0.599056E-08 0.100000E-04    0.914578E+00
  60    0.360831E-06    0.143382E+03 -0.251658E-08 0.100000E-04    0.911829E+00
  61   -0.239891E-05    0.138053E+03  0.173767E-07 0.100000E-04    0.904870E+00
  62    0.174536E-05    0.135871E+03 -0.128457E-07 0.100000E-04    0.881814E+00
  63   -0.547382E-05    0.130315E+03  0.420046E-07 0.100000E-04    0.908868E+00
  64    0.439627E-06    0.128819E+03 -0.341274E-08 0.100000E-04    0.956284E+00
  65   -0.269997E-05    0.126876E+03  0.212804E-07 0.100000E-04    0.899796E+00
  66    0.178819E-05    0.124156E+03 -0.144027E-07 0.100000E-04    0.903559E+00
  67   -0.444267E-05    0.119995E+03  0.370237E-07 0.100000E-04    0.912197E+00
  68    0.405707E-06    0.118167E+03 -0.343335E-08 0.100000E-04    0.860366E+00
  69    0.228453E-06    0.116879E+03 -0.195461E-08 0.100000E-04    0.861256E+00
  70   -0.402712E-05    0.110350E+03  0.364940E-07 0.100000E-04    0.893584E+00
  71   -0.153925E-05    0.106861E+03  0.144043E-07 0.100000E-04    0.913314E+00
  72   -0.129696E-05    0.104417E+03  0.124210E-07 0.100000E-04    0.865551E+00
  73    0.558529E-07    0.102839E+03 -0.543111E-09 0.100000E-04    0.761434E+00
  74    0.144621E-05    0.995367E+02 -0.145294E-07 0.100000E-04    0.995905E+00
  75    0.267168E-06    0.960981E+02 -0.278015E-08 0.100000E-04    0.662128E+00
  76    0.966243E-06    0.941211E+02 -0.102660E-07 0.100000E-04    0.865007E+00
  77   -0.521775E-05    0.920065E+02  0.567107E-07 0.100000E-04    0.947888E+00
  78   -0.487491E-06    0.912034E+02  0.534509E-08 0.100000E-04    0.816184E+00
  79   -0.103743E-05    0.884533E+02  0.117286E-07 0.100000E-04    0.906921E+00
  80    0.136558E-05    0.855843E+02 -0.159560E-07 0.100000E-04    0.855769E+00
  81    0.300473E-05    0.808241E+02 -0.371761E-07 0.100000E-04    0.899294E+00
  82    0.284458E-05    0.804624E+02 -0.353529E-07 0.100000E-04    0.879364E+00
  83   -0.169171E-06    0.779588E+02  0.217000E-08 0.100000E-04    0.417275E+00
  84   -0.150303E-05    0.733038E+02  0.205041E-07 0.100000E-04    0.875772E+00
  85   -0.643243E-05    0.725991E+02  0.886020E-07 0.100000E-04    0.920726E+00
  86    0.649864E-06    0.679323E+02 -0.956635E-08 0.100000E-04    0.848710E+00
  87    0.304953E-05    0.647830E+02 -0.470729E-07 0.100000E-04    0.922416E+00
  88    0.399876E-05    0.613897E+02 -0.651373E-07 0.100000E-04    0.985095E+00
  89   -0.559916E-05    0.598514E+02  0.935511E-07 0.100000E-04    0.916980E+00
  90    0.261349E-05    0.593921E+02 -0.440041E-07 0.100000E-04    0.840385E+00
  91   -0.721410E-05    0.581466E+02  0.124067E-06 0.100000E-04    0.931365E+00
  92    0.920806E-05    0.558690E+02 -0.164815E-06 0.100000E-04    0.894047E+00
  93    0.743177E-05    0.524612E+02 -0.141662E-06 0.100000E-04    0.911226E+00
  94    0.186168E-05    0.520498E+02 -0.357674E-07 0.100000E-04    0.924551E+00
  95    0.631453E-05    0.501891E+02 -0.125815E-06 0.100000E-04    0.912047E+00
  96   -0.461958E-05    0.462157E+02  0.999568E-07 0.100000E-04    0.940756E+00
  97   -0.865970E-05    0.433233E+02  0.199886E-06 0.100000E-04    0.909036E+00
  98    0.386055E-06    0.408991E+02 -0.943918E-08 0.100000E-04    0.872156E+00
  99   -0.617581E-05    0.378737E+02  0.163063E-06 0.100000E-04    0.932082E+00
 100   -0.227570E-05    0.362320E+02  0.628091E-07 0.100000E-04    0.982039E+00
 101    0.298433E-04    0.323100E+02 -0.923655E-06 0.100000E-04    0.917632E+00
 102    0.593410E-06    0.288742E+02 -0.205515E-07 0.100000E-04    0.908209E+00
 103   -0.337998E-05    0.284500E+02  0.118804E-06 0.100000E-04    0.847026E+00
 104    0.876710E-06    0.262885E+02 -0.333495E-07 0.100000E-04    0.722187E+00
 105   -0.131014E-04    0.233198E+02  0.561813E-06 0.100000E-04    0.931686E+00
 106    0.946979E-05    0.213142E+02 -0.444294E-06 0.100000E-04    0.959584E+00
 107   -0.647316E-04    0.198587E+02  0.325961E-05 0.100000E-04    0.910915E+00
 108   -0.138273E-03    0.164776E+02  0.839157E-05 0.100000E-04    0.374722E+00
 109   -0.114419E-04    0.138997E+02  0.823175E-06 0.100000E-04    0.936050E+00
 110   -0.953473E-02    0.122376E+02  0.100000E-04 0.100000E-04    0.215793E+00
 111   -0.781818E-05    0.100910E+02  0.774767E-06 0.100000E-04    0.962573E+00
 112    0.352379E-01    0.894230E+01 -0.100000E-04 0.100000E-04    0.660900E+00
 113   -0.891421E-01    0.574216E+01  0.501113E-04 0.501113E-04    0.225687E+00
 114   -0.912397E+00    0.319576E+01 -0.215286E-04 0.215286E-04    0.780264E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.5011128470E-04    0.2653932670    

 Beginning of optimization cycle  530.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3000602576
 potential> RMS force:                                               0.0859320796   |gradient|=.9175035386    
 Eigenvalues of the Hessian matrix:
   746.40707    674.18364    630.51973    600.87081    586.43563    578.89030 
   565.17518    487.43187    460.72038    459.83604    441.69664    429.24895 
   421.98183    408.08059    396.38940    387.59514    369.97559    360.54152 
   349.39492    335.28887    329.22687    321.86371    319.06886    309.52997 
   300.86615    290.55938    278.86765    272.69411    268.50588    264.92923 
   263.74673    253.24085    241.53008    240.76022    233.94392    227.51217 
   217.07635    214.88413    213.25728    207.63318    203.01949    195.50465 
   194.82780    191.34582    182.92357    174.29696    172.31014    168.20690 
   163.25943    156.88912    154.89132    152.26751    146.70790    143.38073 
   138.05411    135.87123    130.31379    128.81984    126.87608    124.15367 
   119.99538    118.16675    116.87760    110.35067    106.85990    104.41791 
   102.83922     99.53601     96.09771     94.12035     92.00547     91.20423 
    88.45221     85.58481     80.82416     80.46362     77.95833     73.30320 
    72.59763     67.93129     64.78177     61.38853     59.85081     59.39189 
    58.14602     55.86857     52.46076     52.04891     50.19026     46.21432 
    43.32390     40.89938     37.87324     36.23056     32.30894     28.87491 
    28.45001     26.28892     23.32007     21.31427     19.85847     16.47718 
    13.89980     12.23769     10.09101      8.94512      5.74225      3.19514 
overlap for current and previous eigenvector    109 is         0.9999999564
overlap for current and previous eigenvector    110 is         0.9999999911
overlap for current and previous eigenvector    111 is         0.9999999058
overlap for current and previous eigenvector    112 is         0.9999997888
overlap for current and previous eigenvector    113 is         0.9999997138
overlap for current and previous eigenvector    114 is         0.9999998260
J1,K1,R1,R2,RAT=   7   7    0.8703056669E-01     1.912943461        0.9129434606    
FOB,PFOB,DIAG,PSTEP=   -0.4470378274E-06   -0.4896531740E-06     746.4070672        0.6560221016E-09
J1,K1,R1,R2,RAT=   8   8    0.9496525904E-01     1.905043572        0.9050347410    
FOB,PFOB,DIAG,PSTEP=   -0.8545496351E-06   -0.9442170565E-06     674.1836359        0.1400527745E-08
J1,K1,R1,R2,RAT=   9   9    0.9149154726E-01     1.908491716        0.9084917155    
FOB,PFOB,DIAG,PSTEP=   -0.1264661191E-05   -0.1392020352E-05     630.5197275        0.2207753288E-08
J1,K1,R1,R2,RAT=  10  10    0.1587755562         1.841234900        0.8412244438    
FOB,PFOB,DIAG,PSTEP=   -0.8864685029E-07   -0.1053782537E-06     600.8708053        0.1753749754E-09
J1,K1,R1,R2,RAT=  11  11    0.1067674693E-01     1.989329779        0.9893232531    
FOB,PFOB,DIAG,PSTEP=   -0.2778654920E-07   -0.2808641982E-07     586.4356338        0.4789328367E-10
J1,K1,R1,R2,RAT= 109 109    0.5989469584E-01     1.940086584        0.9400865840    
FOB,PFOB,DIAG,PSTEP=   -0.1075655517E-04   -0.1144186884E-04     13.89980401        0.8231753430E-06
J1,K1,R1,R2,RAT= 110 110     1.192037715         154.6336264        0.1920377150    
FOB,PFOB,DIAG,PSTEP=   -0.9388853522E-02   -0.9534731411E-02     12.23769071        0.1000000000E-04
J1,K1,R1,R2,RAT= 111 111    0.1624323981         1.837567772        0.8375676019    
FOB,PFOB,DIAG,PSTEP=   -0.6548255464E-05   -0.7818181291E-05     10.09100784        0.7747670744E-06
J1,K1,R1,R2,RAT= 112 112   -0.2250607369         788.0939016        0.7749392631    
FOB,PFOB,DIAG,PSTEP=    0.3525805633E-01    0.3523792436E-01     8.945124501       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7641494729         620.3412217        0.2358505271    
FOB,PFOB,DIAG,PSTEP=   -0.8936203436E-01   -0.8914214912E-01     5.742251646        0.5011128470E-04
J1,K1,R1,R2,RAT= 114 114    0.2207473608        -26528.43310        0.7792526392    
FOB,PFOB,DIAG,PSTEP=   -0.9124121222       -0.9123969377         3.195135231       -0.2152863949E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00001      0.00000      0.00000     -0.00000     -0.00001      0.00000 
     0.00001      0.00001      0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000     -0.00001     -0.00000      0.00003      0.00000 
    -0.00000      0.00000     -0.00001      0.00001     -0.00006     -0.00006 
    -0.00001     -0.00939     -0.00001      0.03526     -0.08936     -0.91241 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846297947
 Log product of positive Hessian eigenvalues =          519.0679924980
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1951352314
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000013
 Unscaled step for mode    9=        0.0000000020
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000036
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000025
 Unscaled step for mode   15=        0.0000000013
 Unscaled step for mode   16=        0.0000000008
 Unscaled step for mode   17=        0.0000000027
 Unscaled step for mode   18=        0.0000000015
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000023
 Unscaled step for mode   21=        0.0000000016
 Unscaled step for mode   22=        0.0000000031
 Unscaled step for mode   23=       -0.0000000045
 Unscaled step for mode   24=        0.0000000018
 Unscaled step for mode   25=        0.0000000014
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000028
 Unscaled step for mode   28=        0.0000000021
 Unscaled step for mode   29=       -0.0000000010
 Unscaled step for mode   30=        0.0000000115
 Unscaled step for mode   31=        0.0000000083
 Unscaled step for mode   32=        0.0000000101
 Unscaled step for mode   33=        0.0000000004
 Unscaled step for mode   34=       -0.0000000003
 Unscaled step for mode   35=       -0.0000000080
 Unscaled step for mode   36=       -0.0000000123
 Unscaled step for mode   37=        0.0000000024
 Unscaled step for mode   38=        0.0000000002
 Unscaled step for mode   39=        0.0000000022
 Unscaled step for mode   40=        0.0000000119
 Unscaled step for mode   41=        0.0000000093
 Unscaled step for mode   42=        0.0000000173
 Unscaled step for mode   43=        0.0000000013
 Unscaled step for mode   44=        0.0000000204
 Unscaled step for mode   45=       -0.0000000064
 Unscaled step for mode   46=       -0.0000000119
 Unscaled step for mode   47=        0.0000000097
 Unscaled step for mode   48=        0.0000000098
 Unscaled step for mode   49=       -0.0000000124
 Unscaled step for mode   50=       -0.0000000198
 Unscaled step for mode   51=       -0.0000000019
 Unscaled step for mode   52=        0.0000000053
 Unscaled step for mode   53=       -0.0000000033
 Unscaled step for mode   54=        0.0000000052
 Unscaled step for mode   55=       -0.0000000150
 Unscaled step for mode   56=        0.0000000141
 Unscaled step for mode   57=       -0.0000000026
 Unscaled step for mode   58=        0.0000000159
 Unscaled step for mode   59=       -0.0000000055
 Unscaled step for mode   60=       -0.0000000021
 Unscaled step for mode   61=        0.0000000156
 Unscaled step for mode   62=       -0.0000000116
 Unscaled step for mode   63=        0.0000000376
 Unscaled step for mode   64=       -0.0000000029
 Unscaled step for mode   65=        0.0000000196
 Unscaled step for mode   66=       -0.0000000130
 Unscaled step for mode   67=        0.0000000335
 Unscaled step for mode   68=       -0.0000000033
 Unscaled step for mode   69=       -0.0000000015
 Unscaled step for mode   70=        0.0000000325
 Unscaled step for mode   71=        0.0000000130
 Unscaled step for mode   72=        0.0000000116
 Unscaled step for mode   73=       -0.0000000008
 Unscaled step for mode   74=       -0.0000000131
 Unscaled step for mode   75=       -0.0000000025
 Unscaled step for mode   76=       -0.0000000091
 Unscaled step for mode   77=        0.0000000510
 Unscaled step for mode   78=        0.0000000057
 Unscaled step for mode   79=        0.0000000105
 Unscaled step for mode   80=       -0.0000000138
 Unscaled step for mode   81=       -0.0000000333
 Unscaled step for mode   82=       -0.0000000319
 Unscaled step for mode   83=        0.0000000006
 Unscaled step for mode   84=        0.0000000181
 Unscaled step for mode   85=        0.0000000806
 Unscaled step for mode   86=       -0.0000000083
 Unscaled step for mode   87=       -0.0000000425
 Unscaled step for mode   88=        0.0000000612
 Unscaled step for mode   89=        0.0000000854
 Unscaled step for mode   90=       -0.0000000380
 Unscaled step for mode   91=       -0.0000001110
 Unscaled step for mode   92=       -0.0000001458
 Unscaled step for mode   93=       -0.0000001285
 Unscaled step for mode   94=       -0.0000000311
 Unscaled step for mode   95=       -0.0000001140
 Unscaled step for mode   96=        0.0000000898
 Unscaled step for mode   97=        0.0000001772
 Unscaled step for mode   98=       -0.0000000073
 Unscaled step for mode   99=        0.0000001499
 Unscaled step for mode  100=        0.0000000597
 Unscaled step for mode  101=       -0.0000008280
 Unscaled step for mode  102=       -0.0000000234
 Unscaled step for mode  103=        0.0000001102
 Unscaled step for mode  104=       -0.0000000089
 Unscaled step for mode  105=        0.0000005094
 Unscaled step for mode  106=       -0.0000004162
 Unscaled step for mode  107=        0.0000029056
 Unscaled step for mode  108=        0.0000033695
 Unscaled step for mode  109=        0.0000007739
 Unscaled step for mode  110=        0.0007672075
 Unscaled step for mode  111=        0.0000006489
 Unscaled step for mode  112=       -0.0039415336
 Unscaled step for mode  113=        0.0155584270
 Unscaled step for mode  114=       -0.2654422650
 Largest modulus ratio of non-zero e/values=           233.6073478    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.692155E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.153702E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.573977E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.257444E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.618898E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.195342E-14    0.974269E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.447038E-06    0.746407E+03  0.598920E-09 0.100000E-04    0.912943E+00
   8   -0.854550E-06    0.674184E+03  0.126753E-08 0.100000E-04    0.905035E+00
   9   -0.126466E-05    0.630520E+03  0.200574E-08 0.100000E-04    0.908492E+00
  10   -0.886469E-07    0.600871E+03  0.147531E-09 0.100000E-04    0.841224E+00
  11   -0.277865E-07    0.586436E+03  0.473821E-10 0.100000E-04    0.989323E+00
  12   -0.211216E-05    0.578890E+03  0.364863E-08 0.100000E-04    0.907758E+00
  13   -0.837496E-07    0.565175E+03  0.148183E-09 0.100000E-04    0.821156E+00
  14    0.122182E-05    0.487432E+03 -0.250665E-08 0.100000E-04    0.914334E+00
  15   -0.615508E-06    0.460720E+03  0.133597E-08 0.100000E-04    0.914504E+00
  16   -0.388525E-06    0.459836E+03  0.844921E-09 0.100000E-04    0.871109E+00
  17   -0.120352E-05    0.441697E+03  0.272477E-08 0.100000E-04    0.902982E+00
  18   -0.643435E-06    0.429249E+03  0.149898E-08 0.100000E-04    0.925366E+00
  19   -0.125778E-06    0.421982E+03  0.298064E-09 0.100000E-04    0.885638E+00
  20   -0.943688E-06    0.408081E+03  0.231250E-08 0.100000E-04    0.910431E+00
  21   -0.637566E-06    0.396389E+03  0.160843E-08 0.100000E-04    0.918028E+00
  22   -0.121712E-05    0.387595E+03  0.314019E-08 0.100000E-04    0.899751E+00
  23    0.165587E-05    0.369976E+03 -0.447563E-08 0.100000E-04    0.909748E+00
  24   -0.664642E-06    0.360542E+03  0.184345E-08 0.100000E-04    0.892913E+00
  25   -0.486176E-06    0.349395E+03  0.139148E-08 0.100000E-04    0.857230E+00
  26   -0.101280E-06    0.335289E+03  0.302069E-09 0.100000E-04    0.811367E+00
  27    0.914469E-06    0.329227E+03 -0.277762E-08 0.100000E-04    0.918686E+00
  28   -0.684763E-06    0.321864E+03  0.212749E-08 0.100000E-04    0.893336E+00
  29    0.319062E-06    0.319069E+03 -0.999978E-09 0.100000E-04    0.804591E+00
  30   -0.355704E-05    0.309530E+03  0.114918E-07 0.100000E-04    0.894432E+00
  31   -0.250511E-05    0.300866E+03  0.832632E-08 0.100000E-04    0.889523E+00
  32   -0.293722E-05    0.290559E+03  0.101088E-07 0.100000E-04    0.906212E+00
  33   -0.118331E-06    0.278868E+03  0.424327E-09 0.100000E-04    0.728141E+00
  34    0.817426E-07    0.272694E+03 -0.299759E-09 0.100000E-04    0.616644E+00
  35    0.215376E-05    0.268506E+03 -0.802129E-08 0.100000E-04    0.891373E+00
  36    0.326838E-05    0.264929E+03 -0.123368E-07 0.100000E-04    0.912945E+00
  37   -0.626993E-06    0.263747E+03  0.237725E-08 0.100000E-04    0.957931E+00
  38   -0.522256E-07    0.253241E+03  0.206229E-09 0.100000E-04    0.642100E+00
  39   -0.534157E-06    0.241530E+03  0.221156E-08 0.100000E-04    0.935069E+00
  40   -0.285510E-05    0.240760E+03  0.118587E-07 0.100000E-04    0.914691E+00
  41   -0.217002E-05    0.233944E+03  0.927582E-08 0.100000E-04    0.902532E+00
  42   -0.394553E-05    0.227512E+03  0.173421E-07 0.100000E-04    0.897156E+00
  43   -0.274421E-06    0.217076E+03  0.126417E-08 0.100000E-04    0.812752E+00
  44   -0.438212E-05    0.214884E+03  0.203929E-07 0.100000E-04    0.902845E+00
  45    0.137068E-05    0.213257E+03 -0.642736E-08 0.100000E-04    0.894977E+00
  46    0.247603E-05    0.207633E+03 -0.119250E-07 0.100000E-04    0.912986E+00
  47   -0.196539E-05    0.203019E+03  0.968080E-08 0.100000E-04    0.908495E+00
  48   -0.191680E-05    0.195505E+03  0.980436E-08 0.100000E-04    0.891384E+00
  49    0.240954E-05    0.194828E+03 -0.123676E-07 0.100000E-04    0.902633E+00
  50    0.378344E-05    0.191346E+03 -0.197728E-07 0.100000E-04    0.893828E+00
  51    0.351464E-06    0.182924E+03 -0.192137E-08 0.100000E-04    0.942207E+00
  52   -0.929275E-06    0.174297E+03  0.533156E-08 0.100000E-04    0.927617E+00
  53    0.564922E-06    0.172310E+03 -0.327852E-08 0.100000E-04    0.920797E+00
  54   -0.879758E-06    0.168207E+03  0.523021E-08 0.100000E-04    0.894920E+00
  55    0.244546E-05    0.163259E+03 -0.149790E-07 0.100000E-04    0.898882E+00
  56   -0.220993E-05    0.156889E+03  0.140859E-07 0.100000E-04    0.936180E+00
  57    0.397274E-06    0.154891E+03 -0.256486E-08 0.100000E-04    0.991607E+00
  58   -0.242319E-05    0.152268E+03  0.159140E-07 0.100000E-04    0.902057E+00
  59    0.811059E-06    0.146708E+03 -0.552840E-08 0.100000E-04    0.922842E+00
  60    0.294112E-06    0.143381E+03 -0.205127E-08 0.100000E-04    0.815094E+00
  61   -0.215782E-05    0.138054E+03  0.156303E-07 0.100000E-04    0.899484E+00
  62    0.157686E-05    0.135871E+03 -0.116056E-07 0.100000E-04    0.903459E+00
  63   -0.489898E-05    0.130314E+03  0.375938E-07 0.100000E-04    0.894984E+00
  64    0.378566E-06    0.128820E+03 -0.293873E-08 0.100000E-04    0.861100E+00
  65   -0.248893E-05    0.126876E+03  0.196170E-07 0.100000E-04    0.921829E+00
  66    0.161591E-05    0.124154E+03 -0.130154E-07 0.100000E-04    0.903657E+00
  67   -0.402330E-05    0.119995E+03  0.335288E-07 0.100000E-04    0.905601E+00
  68    0.387096E-06    0.118167E+03 -0.327585E-08 0.100000E-04    0.954124E+00
  69    0.170115E-06    0.116878E+03 -0.145549E-08 0.100000E-04    0.744635E+00
  70   -0.359171E-05    0.110351E+03  0.325482E-07 0.100000E-04    0.891875E+00
  71   -0.139189E-05    0.106860E+03  0.130254E-07 0.100000E-04    0.904261E+00
  72   -0.120655E-05    0.104418E+03  0.115550E-07 0.100000E-04    0.930280E+00
  73    0.809334E-07    0.102839E+03 -0.786990E-09 0.100000E-04    0.550956E+00
  74    0.130424E-05    0.995360E+02 -0.131032E-07 0.100000E-04    0.901834E+00
  75    0.241646E-06    0.960977E+02 -0.251459E-08 0.100000E-04    0.904474E+00
  76    0.859497E-06    0.941204E+02 -0.913190E-08 0.100000E-04    0.889524E+00
  77   -0.469625E-05    0.920055E+02  0.510432E-07 0.100000E-04    0.900052E+00
  78   -0.520993E-06    0.912042E+02  0.571237E-08 0.100000E-04    0.931278E+00
  79   -0.926584E-06    0.884522E+02  0.104755E-07 0.100000E-04    0.893148E+00
  80    0.118269E-05    0.855848E+02 -0.138190E-07 0.100000E-04    0.866062E+00
  81    0.269218E-05    0.808242E+02 -0.333091E-07 0.100000E-04    0.895979E+00
  82    0.256636E-05    0.804636E+02 -0.318947E-07 0.100000E-04    0.902165E+00
  83   -0.432712E-07    0.779583E+02  0.555055E-09 0.100000E-04    0.255780E+00
  84   -0.132937E-05    0.733032E+02  0.181353E-07 0.100000E-04    0.884462E+00
  85   -0.584793E-05    0.725976E+02  0.805527E-07 0.100000E-04    0.909131E+00
  86    0.563795E-06    0.679313E+02 -0.829950E-08 0.100000E-04    0.867558E+00
  87    0.275646E-05    0.647818E+02 -0.425500E-07 0.100000E-04    0.903897E+00
  88   -0.375659E-05    0.613885E+02  0.611937E-07 0.100000E-04    0.939437E+00
  89   -0.511035E-05    0.598508E+02  0.853848E-07 0.100000E-04    0.912698E+00
  90    0.225814E-05    0.593919E+02 -0.380211E-07 0.100000E-04    0.864032E+00
  91    0.645649E-05    0.581460E+02 -0.111039E-06 0.100000E-04    0.894982E+00
  92    0.814725E-05    0.558686E+02 -0.145829E-06 0.100000E-04    0.884795E+00
  93    0.674133E-05    0.524608E+02 -0.128502E-06 0.100000E-04    0.907096E+00
  94    0.161855E-05    0.520489E+02 -0.310966E-07 0.100000E-04    0.869396E+00
  95    0.572074E-05    0.501903E+02 -0.113981E-06 0.100000E-04    0.905922E+00
  96   -0.415125E-05    0.462143E+02  0.898261E-07 0.100000E-04    0.898619E+00
  97   -0.767629E-05    0.433239E+02  0.177184E-06 0.100000E-04    0.886411E+00
  98    0.299308E-06    0.408994E+02 -0.731815E-08 0.100000E-04    0.775289E+00
  99   -0.567688E-05    0.378732E+02  0.149891E-06 0.100000E-04    0.919211E+00
 100   -0.216441E-05    0.362306E+02  0.597400E-07 0.100000E-04    0.951095E+00
 101    0.267519E-04    0.323089E+02 -0.828004E-06 0.100000E-04    0.896411E+00
 102    0.676029E-06    0.288749E+02 -0.234123E-07 0.100000E-04    0.860774E+00
 103   -0.313423E-05    0.284500E+02  0.110166E-06 0.100000E-04    0.927292E+00
 104    0.234399E-06    0.262889E+02 -0.891625E-08 0.100000E-04    0.267342E+00
 105   -0.118786E-04    0.233201E+02  0.509373E-06 0.100000E-04    0.906650E+00
 106    0.887095E-05    0.213143E+02 -0.416198E-06 0.100000E-04    0.936759E+00
 107   -0.576999E-04    0.198585E+02  0.290555E-05 0.100000E-04    0.891369E+00
 108   -0.555204E-04    0.164772E+02  0.336953E-05 0.100000E-04    0.401514E+00
 109   -0.107566E-04    0.138998E+02  0.773864E-06 0.100000E-04    0.940087E+00
 110   -0.938885E-02    0.122377E+02  0.109000E-04 0.109000E-04    0.192038E+00
 111   -0.654826E-05    0.100910E+02  0.648920E-06 0.100000E-04    0.837568E+00
 112    0.352581E-01    0.894512E+01 -0.100000E-04 0.100000E-04    0.774939E+00
 113   -0.893620E-01    0.574225E+01  0.451453E-04 0.451453E-04    0.235851E+00
 114   -0.912412E+00    0.319514E+01 -0.193952E-04 0.193952E-04    0.779253E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4514530154E-04    0.2654422650    

 Beginning of optimization cycle  531.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3000470430
 potential> RMS force:                                               0.0859350377   |gradient|=.9175351225    
 Eigenvalues of the Hessian matrix:
   746.41434    674.18008    630.52394    600.86810    586.43368    578.89120 
   565.16834    487.43166    460.71815    459.83449    441.69548    429.25263 
   421.98073    408.07772    396.38830    387.59297    369.97652    360.54213 
   349.39446    335.28971    329.22866    321.86276    319.07102    309.52725 
   300.86546    290.56035    278.87086    272.69536    268.50714    264.92995 
   263.74910    253.24055    241.53128    240.76111    233.94570    227.51304 
   217.07797    214.88415    213.25709    207.63425    203.01880    195.50302 
   194.82856    191.34620    182.92473    174.29853    172.31061    168.20754 
   163.25841    156.88859    154.89208    152.26732    146.70672    143.37976 
   138.05518    135.87124    130.31310    128.82036    126.87641    124.15149 
   119.99568    118.16672    116.87650    110.35098    106.85911    104.41841 
   102.83935     99.53545     96.09736     94.11976     92.00457     91.20496 
    88.45127     85.58542     80.82433     80.46472     77.95803     73.30260 
    72.59639     67.93047     64.78080     61.38752     59.85035     59.39183 
    58.14550     55.86827     52.46034     52.04818     50.19132     46.21300 
    43.32451     40.89963     37.87287     36.22928     32.30797     28.87545 
    28.45007     26.28922     23.32033     21.31433     19.85831     16.47672 
    13.89995     12.23775     10.09100      8.94775      5.74235      3.19457 
overlap for current and previous eigenvector    109 is         0.9999999591
overlap for current and previous eigenvector    110 is         0.9999999911
overlap for current and previous eigenvector    111 is         0.9999999192
overlap for current and previous eigenvector    112 is         0.9999998221
overlap for current and previous eigenvector    113 is         0.9999997772
overlap for current and previous eigenvector    114 is         0.9999998712
J1,K1,R1,R2,RAT=   7   7    0.8543936072E-01     1.914541140        0.9145411400    
FOB,PFOB,DIAG,PSTEP=   -0.4088428288E-06   -0.4470378274E-06     746.4143445        0.5989196070E-09
J1,K1,R1,R2,RAT=   8   8    0.7168304485E-01     1.928327506        0.9283169551    
FOB,PFOB,DIAG,PSTEP=   -0.7932932384E-06   -0.8545496351E-06     674.1800794        0.1267532449E-08
J1,K1,R1,R2,RAT=   9   9    0.7672802374E-01     1.923258624        0.9232586240    
FOB,PFOB,DIAG,PSTEP=   -0.1167625589E-05   -0.1264661191E-05     630.5239370        0.2005744048E-08
J1,K1,R1,R2,RAT=  10  10   -0.3912078640         2.391216854        0.6087921360    
FOB,PFOB,DIAG,PSTEP=   -0.1233260394E-06   -0.8864685029E-07     600.8681044        0.1475306331E-09
J1,K1,R1,R2,RAT=  11  11   -0.4130973138         2.413103961        0.5869026862    
FOB,PFOB,DIAG,PSTEP=   -0.3926505988E-07   -0.2778654920E-07     586.4336848        0.4738209548E-10
J1,K1,R1,R2,RAT= 109 109    0.3700476869E-01     1.962974779        0.9629747786    
FOB,PFOB,DIAG,PSTEP=   -0.1035850726E-04   -0.1075655517E-04     13.89994616        0.7738638012E-06
J1,K1,R1,R2,RAT= 110 110     1.155397617         139.6160012        0.1553976175    
FOB,PFOB,DIAG,PSTEP=   -0.9234733309E-02   -0.9388853522E-02     12.23775164        0.1090000000E-04
J1,K1,R1,R2,RAT= 111 111    0.5189759665         1.481025763        0.4810240335    
FOB,PFOB,DIAG,PSTEP=   -0.3149871194E-05   -0.6548255464E-05     10.09099912        0.6489198665E-06
J1,K1,R1,R2,RAT= 112 112   -0.1141922085         788.2021872        0.8858077915    
FOB,PFOB,DIAG,PSTEP=    0.3526827395E-01    0.3525805633E-01     8.947746076       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.6805426635         690.0956997        0.3194573365    
FOB,PFOB,DIAG,PSTEP=   -0.8953845833E-01   -0.8936203436E-01     5.742349971        0.4514530154E-04
J1,K1,R1,R2,RAT= 114 114    0.2524847349        -29452.27987        0.7475152651    
FOB,PFOB,DIAG,PSTEP=   -0.9124277660       -0.9124121222         3.194568758       -0.1939517071E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00001      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00001      0.00001      0.00001      0.00000      0.00001     -0.00000 
    -0.00001      0.00000     -0.00001     -0.00000      0.00002      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00005     -0.00005 
    -0.00001     -0.00923     -0.00000      0.03527     -0.08954     -0.91243 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3846072483
 Log product of positive Hessian eigenvalues =          519.0679883580
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1945687583
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000012
 Unscaled step for mode    9=        0.0000000019
 Unscaled step for mode   10=        0.0000000002
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000033
 Unscaled step for mode   13=        0.0000000002
 Unscaled step for mode   14=       -0.0000000023
 Unscaled step for mode   15=        0.0000000012
 Unscaled step for mode   16=        0.0000000006
 Unscaled step for mode   17=        0.0000000025
 Unscaled step for mode   18=        0.0000000014
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000019
 Unscaled step for mode   21=        0.0000000016
 Unscaled step for mode   22=        0.0000000026
 Unscaled step for mode   23=       -0.0000000041
 Unscaled step for mode   24=        0.0000000016
 Unscaled step for mode   25=        0.0000000011
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000022
 Unscaled step for mode   28=        0.0000000018
 Unscaled step for mode   29=       -0.0000000003
 Unscaled step for mode   30=        0.0000000097
 Unscaled step for mode   31=        0.0000000073
 Unscaled step for mode   32=        0.0000000086
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000070
 Unscaled step for mode   36=       -0.0000000111
 Unscaled step for mode   37=        0.0000000026
 Unscaled step for mode   38=        0.0000000001
 Unscaled step for mode   39=        0.0000000024
 Unscaled step for mode   40=        0.0000000108
 Unscaled step for mode   41=        0.0000000085
 Unscaled step for mode   42=        0.0000000148
 Unscaled step for mode   43=        0.0000000011
 Unscaled step for mode   44=        0.0000000184
 Unscaled step for mode   45=       -0.0000000055
 Unscaled step for mode   46=       -0.0000000113
 Unscaled step for mode   47=        0.0000000089
 Unscaled step for mode   48=        0.0000000088
 Unscaled step for mode   49=       -0.0000000117
 Unscaled step for mode   50=       -0.0000000172
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000052
 Unscaled step for mode   53=       -0.0000000030
 Unscaled step for mode   54=        0.0000000054
 Unscaled step for mode   55=       -0.0000000124
 Unscaled step for mode   56=        0.0000000135
 Unscaled step for mode   57=       -0.0000000030
 Unscaled step for mode   58=        0.0000000138
 Unscaled step for mode   59=       -0.0000000051
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000138
 Unscaled step for mode   62=       -0.0000000110
 Unscaled step for mode   63=        0.0000000321
 Unscaled step for mode   64=       -0.0000000017
 Unscaled step for mode   65=        0.0000000191
 Unscaled step for mode   66=       -0.0000000118
 Unscaled step for mode   67=        0.0000000297
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=        0.0000000290
 Unscaled step for mode   71=        0.0000000114
 Unscaled step for mode   72=        0.0000000125
 Unscaled step for mode   73=       -0.0000000019
 Unscaled step for mode   74=       -0.0000000090
 Unscaled step for mode   75=       -0.0000000043
 Unscaled step for mode   76=       -0.0000000088
 Unscaled step for mode   77=        0.0000000402
 Unscaled step for mode   78=        0.0000000050
 Unscaled step for mode   79=        0.0000000086
 Unscaled step for mode   80=       -0.0000000123
 Unscaled step for mode   81=       -0.0000000292
 Unscaled step for mode   82=       -0.0000000305
 Unscaled step for mode   83=        0.0000000011
 Unscaled step for mode   84=        0.0000000165
 Unscaled step for mode   85=        0.0000000718
 Unscaled step for mode   86=       -0.0000000072
 Unscaled step for mode   87=       -0.0000000363
 Unscaled step for mode   88=        0.0000000524
 Unscaled step for mode   89=        0.0000000775
 Unscaled step for mode   90=       -0.0000000336
 Unscaled step for mode   91=       -0.0000000875
 Unscaled step for mode   92=       -0.0000001241
 Unscaled step for mode   93=       -0.0000001142
 Unscaled step for mode   94=       -0.0000000222
 Unscaled step for mode   95=       -0.0000001028
 Unscaled step for mode   96=        0.0000000711
 Unscaled step for mode   97=        0.0000001457
 Unscaled step for mode   98=       -0.0000000031
 Unscaled step for mode   99=        0.0000001348
 Unscaled step for mode  100=        0.0000000526
 Unscaled step for mode  101=       -0.0000006929
 Unscaled step for mode  102=       -0.0000000337
 Unscaled step for mode  103=        0.0000001223
 Unscaled step for mode  104=        0.0000000490
 Unscaled step for mode  105=        0.0000004253
 Unscaled step for mode  106=       -0.0000003675
 Unscaled step for mode  107=        0.0000024344
 Unscaled step for mode  108=        0.0000028892
 Unscaled step for mode  109=        0.0000007452
 Unscaled step for mode  110=        0.0007546099
 Unscaled step for mode  111=        0.0000003121
 Unscaled step for mode  112=       -0.0039415207
 Unscaled step for mode  113=        0.0155888617
 Unscaled step for mode  114=       -0.2654870889
 Largest modulus ratio of non-zero e/values=           233.6510499    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.456015E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.242861E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.359887E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.249800E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.593388E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.202683E-14    0.974270E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.408843E-06    0.746414E+03  0.547742E-09 0.100000E-04    0.914541E+00
   8   -0.793293E-06    0.674180E+03  0.117668E-08 0.100000E-04    0.928317E+00
   9   -0.116763E-05    0.630524E+03  0.185183E-08 0.100000E-04    0.923259E+00
  10   -0.123326E-06    0.600868E+03  0.205246E-09 0.100000E-04    0.608792E+00
  11   -0.392651E-07    0.586434E+03  0.669557E-10 0.100000E-04    0.586903E+00
  12   -0.190867E-05    0.578891E+03  0.329711E-08 0.100000E-04    0.903656E+00
  13   -0.975745E-07    0.565168E+03  0.172647E-09 0.100000E-04    0.834923E+00
  14    0.111715E-05    0.487432E+03 -0.229190E-08 0.100000E-04    0.914327E+00
  15   -0.536058E-06    0.460718E+03  0.116353E-08 0.100000E-04    0.870919E+00
  16   -0.295030E-06    0.459834E+03  0.641601E-09 0.100000E-04    0.759359E+00
  17   -0.110016E-05    0.441695E+03  0.249077E-08 0.100000E-04    0.914120E+00
  18   -0.596187E-06    0.429253E+03  0.138890E-08 0.100000E-04    0.926553E+00
  19   -0.155024E-06    0.421981E+03  0.367372E-09 0.100000E-04    0.767475E+00
  20   -0.782278E-06    0.408078E+03  0.191698E-08 0.100000E-04    0.828958E+00
  21   -0.622852E-06    0.396388E+03  0.157132E-08 0.100000E-04    0.976921E+00
  22   -0.101951E-05    0.387593E+03  0.263037E-08 0.100000E-04    0.837642E+00
  23    0.153257E-05    0.369977E+03 -0.414234E-08 0.100000E-04    0.925531E+00
  24   -0.568772E-06    0.360542E+03  0.157755E-08 0.100000E-04    0.855753E+00
  25   -0.388453E-06    0.349394E+03  0.111179E-08 0.100000E-04    0.798995E+00
  26   -0.991508E-07    0.335290E+03  0.295717E-09 0.100000E-04    0.978969E+00
  27    0.728809E-06    0.329229E+03 -0.221369E-08 0.100000E-04    0.796966E+00
  28   -0.592524E-06    0.321863E+03  0.184092E-08 0.100000E-04    0.865297E+00
  29    0.101919E-06    0.319071E+03 -0.319425E-09 0.100000E-04    0.319425E+00
  30   -0.299987E-05    0.309527E+03  0.969177E-08 0.100000E-04    0.843359E+00
  31   -0.219084E-05    0.300865E+03  0.728180E-08 0.100000E-04    0.874549E+00
  32   -0.249786E-05    0.290560E+03  0.859669E-08 0.100000E-04    0.850410E+00
  33   -0.775307E-07    0.278871E+03  0.278016E-09 0.100000E-04    0.655182E+00
  34   -0.628098E-07    0.272695E+03  0.230330E-09 0.100000E-04    0.768377E+00
  35    0.186743E-05    0.268507E+03 -0.695485E-08 0.100000E-04    0.867043E+00
  36    0.295304E-05    0.264930E+03 -0.111465E-07 0.100000E-04    0.903515E+00
  37   -0.692657E-06    0.263749E+03  0.262620E-08 0.100000E-04    0.895271E+00
  38   -0.200663E-07    0.253241E+03  0.792381E-10 0.100000E-04    0.384223E+00
  39   -0.578573E-06    0.241531E+03  0.239544E-08 0.100000E-04    0.916848E+00
  40   -0.260380E-05    0.240761E+03  0.108149E-07 0.100000E-04    0.911975E+00
  41   -0.199917E-05    0.233946E+03  0.854546E-08 0.100000E-04    0.921253E+00
  42   -0.336143E-05    0.227513E+03  0.147747E-07 0.100000E-04    0.851951E+00
  43   -0.231871E-06    0.217078E+03  0.106815E-08 0.100000E-04    0.844933E+00
  44   -0.395386E-05    0.214884E+03  0.184000E-07 0.100000E-04    0.902271E+00
  45    0.116318E-05    0.213257E+03 -0.545436E-08 0.100000E-04    0.848614E+00
  46    0.233918E-05    0.207634E+03 -0.112659E-07 0.100000E-04    0.944720E+00
  47   -0.179797E-05    0.203019E+03  0.885619E-08 0.100000E-04    0.914817E+00
  48   -0.172228E-05    0.195503E+03  0.880950E-08 0.100000E-04    0.898521E+00
  49    0.228905E-05    0.194829E+03 -0.117490E-07 0.100000E-04    0.949984E+00
  50    0.329586E-05    0.191346E+03 -0.172246E-07 0.100000E-04    0.871124E+00
  51    0.254065E-06    0.182925E+03 -0.138891E-08 0.100000E-04    0.722867E+00
  52   -0.898407E-06    0.174299E+03  0.515442E-08 0.100000E-04    0.966765E+00
  53    0.522868E-06    0.172311E+03 -0.303445E-08 0.100000E-04    0.925552E+00
  54   -0.901073E-06    0.168208E+03  0.535691E-08 0.100000E-04    0.975772E+00
  55    0.202541E-05    0.163258E+03 -0.124062E-07 0.100000E-04    0.828232E+00
  56   -0.212089E-05    0.156889E+03  0.135184E-07 0.100000E-04    0.959709E+00
  57    0.465043E-06    0.154892E+03 -0.300237E-08 0.100000E-04    0.829417E+00
  58   -0.209695E-05    0.152267E+03  0.137715E-07 0.100000E-04    0.865367E+00
  59    0.742756E-06    0.146707E+03 -0.506286E-08 0.100000E-04    0.915784E+00
  60    0.164695E-06    0.143380E+03 -0.114867E-08 0.100000E-04    0.559972E+00
  61   -0.190056E-05    0.138055E+03  0.137667E-07 0.100000E-04    0.880765E+00
  62    0.149734E-05    0.135871E+03 -0.110203E-07 0.100000E-04    0.949569E+00
  63   -0.418885E-05    0.130313E+03  0.321445E-07 0.100000E-04    0.855044E+00
  64    0.222200E-06    0.128820E+03 -0.172489E-08 0.100000E-04    0.586946E+00
  65   -0.242782E-05    0.126876E+03  0.191353E-07 0.100000E-04    0.975442E+00
  66    0.146451E-05    0.124151E+03 -0.117962E-07 0.100000E-04    0.906307E+00
  67   -0.356686E-05    0.119996E+03  0.297249E-07 0.100000E-04    0.886545E+00
  68    0.440528E-06    0.118167E+03 -0.372803E-08 0.100000E-04    0.861966E+00
  69   -0.731462E-07    0.116877E+03  0.625842E-09 0.100000E-04    0.429976E+00
  70   -0.319796E-05    0.110351E+03  0.289799E-07 0.100000E-04    0.890366E+00
  71   -0.122225E-05    0.106859E+03  0.114380E-07 0.100000E-04    0.878123E+00
  72   -0.131011E-05    0.104418E+03  0.125467E-07 0.100000E-04    0.914174E+00
  73    0.193635E-06    0.102839E+03 -0.188288E-08 0.100000E-04    0.392515E+00
  74    0.899532E-06    0.995354E+02 -0.903730E-08 0.100000E-04    0.689697E+00
  75    0.408767E-06    0.960974E+02 -0.425367E-08 0.100000E-04    0.308405E+00
  76    0.825965E-06    0.941198E+02 -0.877568E-08 0.100000E-04    0.960986E+00
  77   -0.369590E-05    0.920046E+02  0.401709E-07 0.100000E-04    0.786988E+00
  78   -0.457608E-06    0.912050E+02  0.501736E-08 0.100000E-04    0.878324E+00
  79   -0.763401E-06    0.884513E+02  0.863075E-08 0.100000E-04    0.823886E+00
  80    0.105343E-05    0.855854E+02 -0.123086E-07 0.100000E-04    0.890695E+00
  81    0.236153E-05    0.808243E+02 -0.292180E-07 0.100000E-04    0.877177E+00
  82    0.245486E-05    0.804647E+02 -0.305086E-07 0.100000E-04    0.956528E+00
  83   -0.886131E-07    0.779580E+02  0.113668E-08 0.109000E-04    0.478578E-01
  84   -0.120727E-05    0.733026E+02  0.164697E-07 0.100000E-04    0.908151E+00
  85   -0.521533E-05    0.725964E+02  0.718400E-07 0.100000E-04    0.891822E+00
  86    0.487798E-06    0.679305E+02 -0.718084E-08 0.100000E-04    0.865202E+00
  87    0.235125E-05    0.647808E+02 -0.362954E-07 0.100000E-04    0.852993E+00
  88   -0.321748E-05    0.613875E+02  0.524127E-07 0.100000E-04    0.856488E+00
  89   -0.463939E-05    0.598503E+02  0.775166E-07 0.100000E-04    0.907842E+00
  90    0.199359E-05    0.593918E+02 -0.335667E-07 0.100000E-04    0.882843E+00
  91    0.508780E-05    0.581455E+02 -0.875012E-07 0.100000E-04    0.788011E+00
  92    0.693447E-05    0.558683E+02 -0.124122E-06 0.100000E-04    0.851142E+00
  93    0.599059E-05    0.524603E+02 -0.114193E-06 0.100000E-04    0.888635E+00
  94    0.115487E-05    0.520482E+02 -0.221884E-07 0.100000E-04    0.713517E+00
  95    0.516030E-05    0.501913E+02 -0.102813E-06 0.100000E-04    0.901994E+00
  96   -0.328420E-05    0.462130E+02  0.710666E-07 0.100000E-04    0.791129E+00
  97   -0.631260E-05    0.433245E+02  0.145705E-06 0.100000E-04    0.822325E+00
  98    0.127729E-06    0.408996E+02 -0.312299E-08 0.100000E-04    0.426740E+00
  99   -0.510363E-05    0.378729E+02  0.134757E-06 0.100000E-04    0.899020E+00
 100   -0.190693E-05    0.362293E+02  0.526350E-07 0.100000E-04    0.881033E+00
 101    0.223857E-04    0.323080E+02 -0.692884E-06 0.100000E-04    0.836782E+00
 102    0.974232E-06    0.288754E+02 -0.337391E-07 0.100000E-04    0.558899E+00
 103   -0.348067E-05    0.284501E+02  0.122343E-06 0.100000E-04    0.889467E+00
 104   -0.128917E-05    0.262892E+02  0.490380E-07 0.100000E-04    0.349985E+01
 105   -0.991863E-05    0.233203E+02  0.425321E-06 0.100000E-04    0.834978E+00
 106    0.783402E-05    0.213143E+02 -0.367547E-06 0.100000E-04    0.883104E+00
 107   -0.483439E-04    0.198583E+02  0.243444E-05 0.100000E-04    0.837850E+00
 108   -0.476042E-04    0.164767E+02  0.288918E-05 0.100000E-04    0.857414E+00
 109   -0.103585E-04    0.138999E+02  0.745219E-06 0.100000E-04    0.962975E+00
 110   -0.923473E-02    0.122378E+02  0.118810E-04 0.118810E-04    0.155398E+00
 111   -0.314987E-05    0.100910E+02  0.312147E-06 0.100000E-04    0.481024E+00
 112    0.352683E-01    0.894775E+01 -0.100000E-04 0.100000E-04    0.885808E+00
 113   -0.895385E-01    0.574235E+01  0.406714E-04 0.406714E-04    0.319457E+00
 114   -0.912428E+00    0.319457E+01 -0.174731E-04 0.174731E-04    0.747515E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4067144282E-04    0.2654870889    

 Beginning of optimization cycle  532.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3000351977
 potential> RMS force:                                               0.0859376439   |gradient|=.9175629492    
 Eigenvalues of the Hessian matrix:
   746.42075    674.17684    630.52768    600.86562    586.43192    578.89189 
   565.16220    487.43158    460.71607    459.83306    441.69449    429.25603 
   421.97959    408.07502    396.38729    387.59086    369.97742    360.54274 
   349.39398    335.29036    329.23030    321.86186    319.07295    309.52467 
   300.86480    290.56128    278.87380    272.69646    268.50827    264.93059 
   263.75130    253.24029    241.53241    240.76183    233.94734    227.51375 
   217.07944    214.88419    213.25699    207.63522    203.01821    195.50153 
   194.82920    191.34652    182.92574    174.29995    172.31107    168.20805 
   163.25747    156.88814    154.89270    152.26713    146.70567    143.37888 
   138.05614    135.87125    130.31247    128.82083    126.87673    124.14953 
   119.99596    118.16667    116.87550    110.35125    106.85835    104.41892 
   102.83951     99.53490     96.09706     94.11923     92.00376     91.20564 
    88.45044     85.58598     80.82450     80.46569     77.95780     73.30206 
    72.59527     67.92979     64.77997     61.38663     59.84995     59.39181 
    58.14506     55.86807     52.45995     52.04754     50.19231     46.21176 
    43.32501     40.89988     37.87255     36.22820     32.30709     28.87595 
    28.45012     26.28949     23.32061     21.31440     19.85819     16.47628 
    13.90009     12.23782     10.09100      8.95019      5.74245      3.19405 
overlap for current and previous eigenvector    109 is         0.9999999640
overlap for current and previous eigenvector    110 is         0.9999999909
overlap for current and previous eigenvector    111 is         0.9999999328
overlap for current and previous eigenvector    112 is         0.9999998489
overlap for current and previous eigenvector    113 is         0.9999998158
overlap for current and previous eigenvector    114 is         0.9999998979
J1,K1,R1,R2,RAT=   7   7    0.4869916752E-01     1.951283682        0.9512836818    
FOB,PFOB,DIAG,PSTEP=   -0.3889323526E-06   -0.4088428288E-06     746.4207453        0.5477424594E-09
J1,K1,R1,R2,RAT=   8   8    0.1052273126         1.894782308        0.8947726874    
FOB,PFOB,DIAG,PSTEP=   -0.7098175244E-06   -0.7932932384E-06     674.1768364        0.1176678550E-08
J1,K1,R1,R2,RAT=   9   9    0.1040930908         1.895895032        0.8958950323    
FOB,PFOB,DIAG,PSTEP=   -0.1046083111E-05   -0.1167625589E-05     630.5276813        0.1851833880E-08
J1,K1,R1,R2,RAT=  10  10    0.2542214223         1.745786831        0.7457785777    
FOB,PFOB,DIAG,PSTEP=   -0.9197404760E-07   -0.1233260394E-06     600.8656250        0.2052464400E-09
J1,K1,R1,R2,RAT=  11  11   -0.1850190174E-01     2.018507932        0.9814980983    
FOB,PFOB,DIAG,PSTEP=   -0.3999153597E-07   -0.3926505988E-07     586.4319165        0.6695566933E-10
J1,K1,R1,R2,RAT= 109 109    0.2391664360E-01     1.976062893        0.9760628925    
FOB,PFOB,DIAG,PSTEP=   -0.1011076400E-04   -0.1035850726E-04     13.90008838        0.7452192365E-06
J1,K1,R1,R2,RAT= 110 110     1.126488764         125.9009195        0.1264887642    
FOB,PFOB,DIAG,PSTEP=   -0.9070944668E-02   -0.9234733309E-02     12.23781604        0.1188100000E-04
J1,K1,R1,R2,RAT= 111 111    0.1692332658         1.830767532        0.8307667342    
FOB,PFOB,DIAG,PSTEP=   -0.2616808418E-05   -0.3149871194E-05     10.09099509        0.3121466128E-06
J1,K1,R1,R2,RAT= 112 112   -0.2781955701E-01     788.1290913        0.9721804430    
FOB,PFOB,DIAG,PSTEP=    0.3527076386E-01    0.3526827395E-01     8.950188312       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.6570849199         767.4057252        0.3429150801    
FOB,PFOB,DIAG,PSTEP=   -0.8969192288E-01   -0.8953845833E-01     5.742447247        0.4067144282E-04
J1,K1,R1,R2,RAT= 114 114    0.2590485795        -32697.91899        0.7409514205    
FOB,PFOB,DIAG,PSTEP=   -0.9124422235       -0.9124277660         3.194046157       -0.1747312677E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00001      0.00001      0.00000      0.00000     -0.00000 
    -0.00001      0.00000     -0.00000     -0.00000      0.00002      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00004     -0.00004 
    -0.00001     -0.00907     -0.00000      0.03527     -0.08969     -0.91244 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3845829777
 Log product of positive Hessian eigenvalues =          519.0679986546
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1940461574
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000011
 Unscaled step for mode    9=        0.0000000017
 Unscaled step for mode   10=        0.0000000002
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000030
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000022
 Unscaled step for mode   15=        0.0000000011
 Unscaled step for mode   16=        0.0000000006
 Unscaled step for mode   17=        0.0000000023
 Unscaled step for mode   18=        0.0000000013
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000018
 Unscaled step for mode   21=        0.0000000014
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=       -0.0000000038
 Unscaled step for mode   24=        0.0000000014
 Unscaled step for mode   25=        0.0000000009
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000021
 Unscaled step for mode   28=        0.0000000016
 Unscaled step for mode   29=       -0.0000000001
 Unscaled step for mode   30=        0.0000000086
 Unscaled step for mode   31=        0.0000000064
 Unscaled step for mode   32=        0.0000000079
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000061
 Unscaled step for mode   36=       -0.0000000103
 Unscaled step for mode   37=        0.0000000024
 Unscaled step for mode   38=       -0.0000000001
 Unscaled step for mode   39=        0.0000000023
 Unscaled step for mode   40=        0.0000000100
 Unscaled step for mode   41=        0.0000000077
 Unscaled step for mode   42=        0.0000000132
 Unscaled step for mode   43=        0.0000000008
 Unscaled step for mode   44=        0.0000000166
 Unscaled step for mode   45=       -0.0000000049
 Unscaled step for mode   46=       -0.0000000104
 Unscaled step for mode   47=        0.0000000082
 Unscaled step for mode   48=        0.0000000074
 Unscaled step for mode   49=       -0.0000000105
 Unscaled step for mode   50=       -0.0000000154
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000046
 Unscaled step for mode   53=       -0.0000000030
 Unscaled step for mode   54=        0.0000000046
 Unscaled step for mode   55=       -0.0000000114
 Unscaled step for mode   56=        0.0000000128
 Unscaled step for mode   57=       -0.0000000031
 Unscaled step for mode   58=        0.0000000125
 Unscaled step for mode   59=       -0.0000000045
 Unscaled step for mode   60=       -0.0000000009
 Unscaled step for mode   61=        0.0000000123
 Unscaled step for mode   62=       -0.0000000097
 Unscaled step for mode   63=        0.0000000286
 Unscaled step for mode   64=       -0.0000000013
 Unscaled step for mode   65=        0.0000000175
 Unscaled step for mode   66=       -0.0000000106
 Unscaled step for mode   67=        0.0000000270
 Unscaled step for mode   68=       -0.0000000032
 Unscaled step for mode   69=        0.0000000008
 Unscaled step for mode   70=        0.0000000259
 Unscaled step for mode   71=        0.0000000104
 Unscaled step for mode   72=        0.0000000114
 Unscaled step for mode   73=       -0.0000000019
 Unscaled step for mode   74=       -0.0000000092
 Unscaled step for mode   75=       -0.0000000031
 Unscaled step for mode   76=       -0.0000000076
 Unscaled step for mode   77=        0.0000000376
 Unscaled step for mode   78=        0.0000000054
 Unscaled step for mode   79=        0.0000000073
 Unscaled step for mode   80=       -0.0000000102
 Unscaled step for mode   81=       -0.0000000256
 Unscaled step for mode   82=       -0.0000000267
 Unscaled step for mode   83=       -0.0000000015
 Unscaled step for mode   84=        0.0000000142
 Unscaled step for mode   85=        0.0000000674
 Unscaled step for mode   86=       -0.0000000055
 Unscaled step for mode   87=       -0.0000000323
 Unscaled step for mode   88=        0.0000000526
 Unscaled step for mode   89=        0.0000000722
 Unscaled step for mode   90=       -0.0000000253
 Unscaled step for mode   91=       -0.0000000770
 Unscaled step for mode   92=       -0.0000001071
 Unscaled step for mode   93=       -0.0000001020
 Unscaled step for mode   94=       -0.0000000195
 Unscaled step for mode   95=       -0.0000000953
 Unscaled step for mode   96=        0.0000000642
 Unscaled step for mode   97=        0.0000001298
 Unscaled step for mode   98=       -0.0000000030
 Unscaled step for mode   99=        0.0000001270
 Unscaled step for mode  100=        0.0000000514
 Unscaled step for mode  101=       -0.0000006175
 Unscaled step for mode  102=       -0.0000000423
 Unscaled step for mode  103=        0.0000001049
 Unscaled step for mode  104=        0.0000000778
 Unscaled step for mode  105=        0.0000003835
 Unscaled step for mode  106=       -0.0000003554
 Unscaled step for mode  107=        0.0000021554
 Unscaled step for mode  108=        0.0000025802
 Unscaled step for mode  109=        0.0000007274
 Unscaled step for mode  110=        0.0007412221
 Unscaled step for mode  111=        0.0000002593
 Unscaled step for mode  112=       -0.0039407234
 Unscaled step for mode  113=        0.0156153028
 Unscaled step for mode  114=       -0.2655284589
 Largest modulus ratio of non-zero e/values=           233.6912833    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.338054E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.107314E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.302236E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.333501E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.708423E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.313374E-14    0.974270E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.388932E-06    0.746421E+03  0.521063E-09 0.100000E-04    0.951284E+00
   8   -0.709818E-06    0.674177E+03  0.105287E-08 0.100000E-04    0.894773E+00
   9   -0.104608E-05    0.630528E+03  0.165906E-08 0.100000E-04    0.895895E+00
  10   -0.919740E-07    0.600866E+03  0.153069E-09 0.100000E-04    0.745779E+00
  11   -0.399915E-07    0.586432E+03  0.681947E-10 0.100000E-04    0.981498E+00
  12   -0.174064E-05    0.578892E+03  0.300684E-08 0.100000E-04    0.911961E+00
  13   -0.753105E-07    0.565162E+03  0.133255E-09 0.100000E-04    0.771822E+00
  14    0.104843E-05    0.487432E+03 -0.215093E-08 0.100000E-04    0.938492E+00
  15   -0.486490E-06    0.460716E+03  0.105594E-08 0.100000E-04    0.907532E+00
  16   -0.261460E-06    0.459833E+03  0.568597E-09 0.100000E-04    0.886214E+00
  17   -0.100015E-05    0.441694E+03  0.226434E-08 0.100000E-04    0.909089E+00
  18   -0.552382E-06    0.429256E+03  0.128684E-08 0.100000E-04    0.926509E+00
  19   -0.122896E-06    0.421980E+03  0.291236E-09 0.100000E-04    0.792753E+00
  20   -0.746492E-06    0.408075E+03  0.182930E-08 0.100000E-04    0.954253E+00
  21   -0.556256E-06    0.396387E+03  0.140331E-08 0.100000E-04    0.893079E+00
  22   -0.921755E-06    0.387591E+03  0.237817E-08 0.100000E-04    0.904113E+00
  23    0.139470E-05    0.369977E+03 -0.376969E-08 0.100000E-04    0.910036E+00
  24   -0.505342E-06    0.360543E+03  0.140162E-08 0.100000E-04    0.888477E+00
  25   -0.330952E-06    0.349394E+03  0.947218E-09 0.100000E-04    0.851976E+00
  26   -0.106383E-06    0.335290E+03  0.317285E-09 0.100000E-04    0.927061E+00
  27    0.706950E-06    0.329230E+03 -0.214728E-08 0.100000E-04    0.969998E+00
  28   -0.511345E-06    0.321862E+03  0.158871E-08 0.100000E-04    0.862994E+00
  29    0.324194E-07    0.319073E+03 -0.101605E-09 0.100000E-04    0.318081E+00
  30   -0.266423E-05    0.309525E+03  0.860749E-08 0.100000E-04    0.888115E+00
  31   -0.192842E-05    0.300865E+03  0.640959E-08 0.100000E-04    0.880219E+00
  32   -0.230671E-05    0.290561E+03  0.793879E-08 0.100000E-04    0.923468E+00
  33   -0.793717E-08    0.278874E+03  0.284615E-10 0.109000E-04    0.102363E+00
  34   -0.107770E-06    0.272696E+03  0.395200E-09 0.100000E-04    0.284194E+00
  35    0.163352E-05    0.268508E+03 -0.608370E-08 0.100000E-04    0.874738E+00
  36    0.273223E-05    0.264931E+03 -0.103130E-07 0.100000E-04    0.925221E+00
  37   -0.634510E-06    0.263751E+03  0.240571E-08 0.100000E-04    0.916035E+00
  38    0.187889E-07    0.253240E+03 -0.741940E-10 0.100000E-04    0.936341E+00
  39   -0.546711E-06    0.241532E+03  0.226351E-08 0.100000E-04    0.944920E+00
  40   -0.240605E-05    0.240762E+03  0.999350E-08 0.100000E-04    0.924048E+00
  41   -0.181073E-05    0.233947E+03  0.773990E-08 0.100000E-04    0.905725E+00
  42   -0.300544E-05    0.227514E+03  0.132099E-07 0.100000E-04    0.894089E+00
  43   -0.168190E-06    0.217079E+03  0.774786E-09 0.100000E-04    0.725348E+00
  44   -0.356248E-05    0.214884E+03  0.165786E-07 0.100000E-04    0.901013E+00
  45    0.104437E-05    0.213257E+03 -0.489726E-08 0.100000E-04    0.897861E+00
  46    0.215184E-05    0.207635E+03 -0.103636E-07 0.100000E-04    0.919905E+00
  47   -0.165516E-05    0.203018E+03  0.815275E-08 0.100000E-04    0.920568E+00
  48   -0.144081E-05    0.195502E+03  0.736981E-08 0.100000E-04    0.836568E+00
  49    0.205243E-05    0.194829E+03 -0.105345E-07 0.100000E-04    0.896626E+00
  50    0.294939E-05    0.191347E+03 -0.154139E-07 0.100000E-04    0.894876E+00
  51    0.252009E-06    0.182926E+03 -0.137766E-08 0.100000E-04    0.991896E+00
  52   -0.807556E-06    0.174300E+03  0.463314E-08 0.100000E-04    0.898860E+00
  53    0.512403E-06    0.172311E+03 -0.297371E-08 0.100000E-04    0.979981E+00
  54   -0.778630E-06    0.168208E+03  0.462897E-08 0.100000E-04    0.864109E+00
  55    0.185414E-05    0.163257E+03 -0.113571E-07 0.100000E-04    0.915436E+00
  56   -0.200204E-05    0.156888E+03  0.127609E-07 0.100000E-04    0.943963E+00
  57    0.474076E-06    0.154893E+03 -0.306067E-08 0.100000E-04    0.980576E+00
  58   -0.190397E-05    0.152267E+03  0.125041E-07 0.100000E-04    0.907970E+00
  59    0.660849E-06    0.146706E+03 -0.450459E-08 0.100000E-04    0.889725E+00
  60    0.127272E-06    0.143379E+03 -0.887666E-09 0.100000E-04    0.772774E+00
  61   -0.169248E-05    0.138056E+03  0.122594E-07 0.100000E-04    0.890501E+00
  62    0.132089E-05    0.135871E+03 -0.972163E-08 0.100000E-04    0.882158E+00
  63   -0.372786E-05    0.130312E+03  0.286071E-07 0.100000E-04    0.889947E+00
  64    0.171379E-06    0.128821E+03 -0.133036E-08 0.100000E-04    0.771274E+00
  65   -0.221940E-05    0.126877E+03  0.174926E-07 0.100000E-04    0.914150E+00
  66    0.132081E-05    0.124150E+03 -0.106389E-07 0.100000E-04    0.901876E+00
  67   -0.323646E-05    0.119996E+03  0.269714E-07 0.100000E-04    0.907365E+00
  68    0.376286E-06    0.118167E+03 -0.318437E-08 0.100000E-04    0.854170E+00
  69   -0.877503E-07    0.116876E+03  0.750801E-09 0.100000E-04    0.800342E+00
  70   -0.285443E-05    0.110351E+03  0.258668E-07 0.100000E-04    0.892574E+00
  71   -0.111214E-05    0.106858E+03  0.104076E-07 0.100000E-04    0.909906E+00
  72   -0.119326E-05    0.104419E+03  0.114276E-07 0.100000E-04    0.910803E+00
  73    0.191365E-06    0.102840E+03 -0.186081E-08 0.100000E-04    0.988275E+00
  74    0.913194E-06    0.995349E+02 -0.917461E-08 0.100000E-04    0.984811E+00
  75    0.297438E-06    0.960971E+02 -0.309519E-08 0.100000E-04    0.727647E+00
  76    0.714632E-06    0.941192E+02 -0.759283E-08 0.100000E-04    0.865207E+00
  77   -0.345792E-05    0.920038E+02  0.375845E-07 0.100000E-04    0.935607E+00
  78   -0.490711E-06    0.912056E+02  0.538027E-08 0.100000E-04    0.927660E+00
  79   -0.643433E-06    0.884504E+02  0.727450E-08 0.100000E-04    0.842849E+00
  80    0.868834E-06    0.855860E+02 -0.101516E-07 0.100000E-04    0.824751E+00
  81    0.207200E-05    0.808245E+02 -0.256358E-07 0.100000E-04    0.877394E+00
  82    0.215018E-05    0.804657E+02 -0.267217E-07 0.100000E-04    0.875864E+00
  83    0.113104E-06    0.779578E+02 -0.145084E-08 0.100000E-04    0.723616E+00
  84   -0.104400E-05    0.733021E+02  0.142424E-07 0.100000E-04    0.864756E+00
  85   -0.488991E-05    0.725953E+02  0.673585E-07 0.100000E-04    0.937603E+00
  86    0.374648E-06    0.679298E+02 -0.551522E-08 0.100000E-04    0.768037E+00
  87    0.209024E-05    0.647800E+02 -0.322668E-07 0.100000E-04    0.888992E+00
  88   -0.322878E-05    0.613866E+02  0.525974E-07 0.100000E-04    0.996490E+00
  89   -0.431917E-05    0.598500E+02  0.721666E-07 0.100000E-04    0.930976E+00
  90    0.150032E-05    0.593918E+02 -0.252613E-07 0.100000E-04    0.752571E+00
  91    0.447772E-05    0.581451E+02 -0.770095E-07 0.100000E-04    0.880088E+00
  92    0.598103E-05    0.558681E+02 -0.107056E-06 0.100000E-04    0.862507E+00
  93    0.535188E-05    0.524599E+02 -0.102018E-06 0.100000E-04    0.893379E+00
  94    0.101716E-05    0.520475E+02 -0.195429E-07 0.100000E-04    0.880758E+00
  95    0.478367E-05    0.501923E+02 -0.953068E-07 0.100000E-04    0.926974E+00
  96   -0.296895E-05    0.462118E+02  0.642467E-07 0.100000E-04    0.904009E+00
  97   -0.562410E-05    0.433250E+02  0.129812E-06 0.100000E-04    0.890911E+00
  98    0.120906E-06    0.408999E+02 -0.295614E-08 0.100000E-04    0.946565E+00
  99   -0.480837E-05    0.378725E+02  0.126962E-06 0.100000E-04    0.942146E+00
 100   -0.186178E-05    0.362282E+02  0.513904E-07 0.100000E-04    0.976323E+00
 101    0.199499E-04    0.323071E+02 -0.617510E-06 0.100000E-04    0.891190E+00
 102    0.122244E-05    0.288760E+02 -0.423344E-07 0.100000E-04    0.745227E+00
 103   -0.298423E-05    0.284501E+02  0.104893E-06 0.100000E-04    0.857368E+00
 104   -0.204464E-05    0.262895E+02  0.777741E-07 0.100000E-04    0.413993E+00
 105   -0.894304E-05    0.233206E+02  0.383482E-06 0.100000E-04    0.901618E+00
 106    0.757503E-05    0.213144E+02 -0.355395E-06 0.100000E-04    0.966934E+00
 107   -0.428022E-04    0.198582E+02  0.215539E-05 0.100000E-04    0.885367E+00
 108   -0.425116E-04    0.164763E+02  0.258017E-05 0.100000E-04    0.893020E+00
 109   -0.101108E-04    0.139001E+02  0.727388E-06 0.100000E-04    0.976063E+00
 110   -0.907094E-02    0.122378E+02  0.129503E-04 0.129503E-04    0.126489E+00
 111   -0.261681E-05    0.100910E+02  0.259321E-06 0.100000E-04    0.830767E+00
 112    0.352708E-01    0.895019E+01 -0.100000E-04 0.100000E-04    0.972180E+00
 113   -0.896919E-01    0.574245E+01  0.366409E-04 0.366409E-04    0.342915E+00
 114   -0.912442E+00    0.319405E+01 -0.157416E-04 0.157416E-04    0.740951E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.3664093948E-04    0.2655284589    

 Beginning of optimization cycle  533.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3000245854
 potential> RMS force:                                               0.0859399329   |gradient|=.9175873882    
 Eigenvalues of the Hessian matrix:
   746.42639    674.17384    630.53097    600.86335    586.43028    578.89234 
   565.15667    487.43162    460.71411    459.83173    441.69363    429.25919 
   421.97840    408.07248    396.38632    387.58882    369.97830    360.54333 
   349.39350    335.29081    329.23181    321.86101    319.07470    309.52215 
   300.86417    290.56218    278.87651    272.69744    268.50926    264.93116 
   263.75335    253.24007    241.53347    240.76239    233.94885    227.51432 
   217.08080    214.88423    213.25697    207.63611    203.01771    195.50015 
   194.82973    191.34678    182.92662    174.30126    172.31154    168.20845 
   163.25662    156.88777    154.89320    152.26694    146.70474    143.37808 
   138.05700    135.87128    130.31190    128.82126    126.87706    124.14777 
   119.99623    118.16661    116.87458    110.35149    106.85762    104.41946 
   102.83971     99.53437     96.09680     94.11876     92.00303     91.20627 
    88.44971     85.58650     80.82468     80.46653     77.95766     73.30156 
    72.59426     67.92922     64.77924     61.38583     59.84961     59.39181 
    58.14468     55.86797     52.45957     52.04699     50.19326     46.21058 
    43.32539     40.90013     37.87227     36.22727     32.30627     28.87643 
    28.45017     26.28971     23.32090     21.31447     19.85810     16.47584 
    13.90023     12.23789     10.09100      8.95247      5.74254      3.19356 
overlap for current and previous eigenvector    109 is         0.9999999682
overlap for current and previous eigenvector    110 is         0.9999999900
overlap for current and previous eigenvector    111 is         0.9999999430
overlap for current and previous eigenvector    112 is         0.9999998715
overlap for current and previous eigenvector    113 is         0.9999998468
overlap for current and previous eigenvector    114 is         0.9999999184
J1,K1,R1,R2,RAT=   7   7    0.4603354668E-01     1.953951317        0.9539513169    
FOB,PFOB,DIAG,PSTEP=   -0.3710282815E-06   -0.3889323526E-06     746.4263944        0.5210631605E-09
J1,K1,R1,R2,RAT=   8   8    0.1070274874         1.892981397        0.8929725126    
FOB,PFOB,DIAG,PSTEP=   -0.6338478757E-06   -0.7098175244E-06     674.1738417        0.1052865489E-08
J1,K1,R1,R2,RAT=   9   9    0.1080523385         1.891937216        0.8919372157    
FOB,PFOB,DIAG,PSTEP=   -0.9330507939E-06   -0.1046083111E-05     630.5309745        0.1659059771E-08
J1,K1,R1,R2,RAT=  10  10    0.3353369352         1.664670631        0.6646630648    
FOB,PFOB,DIAG,PSTEP=   -0.6113186904E-07   -0.9197404760E-07     600.8633519        0.1530692451E-09
J1,K1,R1,R2,RAT=  11  11   -0.6428514435E-01     2.064290719        0.9357148557    
FOB,PFOB,DIAG,PSTEP=   -0.4256239047E-07   -0.3999153597E-07     586.4302820        0.6819467843E-10
J1,K1,R1,R2,RAT= 109 109    0.3483329615E-01     1.965145820        0.9651458199    
FOB,PFOB,DIAG,PSTEP=   -0.9758569086E-05   -0.1011076400E-04     13.90023353        0.7273884686E-06
J1,K1,R1,R2,RAT= 110 110     1.102177974         113.3690854        0.1021779736    
FOB,PFOB,DIAG,PSTEP=   -0.8896266847E-02   -0.9070944668E-02     12.23788996        0.1295029000E-04
J1,K1,R1,R2,RAT= 111 111    0.1344007950         1.865598672        0.8655986720    
FOB,PFOB,DIAG,PSTEP=   -0.2265107193E-05   -0.2616808418E-05     10.09099778        0.2593211466E-06
J1,K1,R1,R2,RAT= 112 112    0.5038931504E-01     787.9058352        0.9496106850    
FOB,PFOB,DIAG,PSTEP=    0.3526625277E-01    0.3527076386E-01     8.952467855       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.6398965994         853.1761216        0.3601034006    
FOB,PFOB,DIAG,PSTEP=   -0.8982656480E-01   -0.8969192288E-01     5.742538140        0.3664093948E-04
J1,K1,R1,R2,RAT= 114 114    0.2630897822        -36300.74711        0.7369102178    
FOB,PFOB,DIAG,PSTEP=   -0.9124554494       -0.9124422235         3.193561654       -0.1574155565E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00001      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00002      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00004     -0.00004 
    -0.00001     -0.00890     -0.00000      0.03527     -0.08983     -0.91246 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3845570536
 Log product of positive Hessian eigenvalues =          519.0680218194
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1935616544
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000009
 Unscaled step for mode    9=        0.0000000015
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000027
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000020
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000005
 Unscaled step for mode   17=        0.0000000020
 Unscaled step for mode   18=        0.0000000012
 Unscaled step for mode   19=        0.0000000002
 Unscaled step for mode   20=        0.0000000017
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000021
 Unscaled step for mode   23=       -0.0000000034
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000008
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000021
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000077
 Unscaled step for mode   31=        0.0000000056
 Unscaled step for mode   32=        0.0000000074
 Unscaled step for mode   33=       -0.0000000002
 Unscaled step for mode   34=        0.0000000005
 Unscaled step for mode   35=       -0.0000000053
 Unscaled step for mode   36=       -0.0000000096
 Unscaled step for mode   37=        0.0000000022
 Unscaled step for mode   38=       -0.0000000003
 Unscaled step for mode   39=        0.0000000021
 Unscaled step for mode   40=        0.0000000093
 Unscaled step for mode   41=        0.0000000070
 Unscaled step for mode   42=        0.0000000119
 Unscaled step for mode   43=        0.0000000005
 Unscaled step for mode   44=        0.0000000150
 Unscaled step for mode   45=       -0.0000000044
 Unscaled step for mode   46=       -0.0000000096
 Unscaled step for mode   47=        0.0000000075
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000095
 Unscaled step for mode   50=       -0.0000000139
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000042
 Unscaled step for mode   53=       -0.0000000030
 Unscaled step for mode   54=        0.0000000041
 Unscaled step for mode   55=       -0.0000000105
 Unscaled step for mode   56=        0.0000000120
 Unscaled step for mode   57=       -0.0000000030
 Unscaled step for mode   58=        0.0000000115
 Unscaled step for mode   59=       -0.0000000040
 Unscaled step for mode   60=       -0.0000000008
 Unscaled step for mode   61=        0.0000000109
 Unscaled step for mode   62=       -0.0000000085
 Unscaled step for mode   63=        0.0000000256
 Unscaled step for mode   64=       -0.0000000011
 Unscaled step for mode   65=        0.0000000160
 Unscaled step for mode   66=       -0.0000000097
 Unscaled step for mode   67=        0.0000000246
 Unscaled step for mode   68=       -0.0000000027
 Unscaled step for mode   69=        0.0000000008
 Unscaled step for mode   70=        0.0000000230
 Unscaled step for mode   71=        0.0000000095
 Unscaled step for mode   72=        0.0000000102
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000095
 Unscaled step for mode   75=       -0.0000000022
 Unscaled step for mode   76=       -0.0000000066
 Unscaled step for mode   77=        0.0000000358
 Unscaled step for mode   78=       -0.0000000056
 Unscaled step for mode   79=        0.0000000061
 Unscaled step for mode   80=       -0.0000000082
 Unscaled step for mode   81=       -0.0000000225
 Unscaled step for mode   82=       -0.0000000234
 Unscaled step for mode   83=       -0.0000000038
 Unscaled step for mode   84=        0.0000000122
 Unscaled step for mode   85=        0.0000000634
 Unscaled step for mode   86=       -0.0000000037
 Unscaled step for mode   87=       -0.0000000295
 Unscaled step for mode   88=        0.0000000534
 Unscaled step for mode   89=       -0.0000000674
 Unscaled step for mode   90=        0.0000000171
 Unscaled step for mode   91=       -0.0000000689
 Unscaled step for mode   92=       -0.0000000922
 Unscaled step for mode   93=       -0.0000000921
 Unscaled step for mode   94=       -0.0000000170
 Unscaled step for mode   95=       -0.0000000890
 Unscaled step for mode   96=        0.0000000596
 Unscaled step for mode   97=        0.0000001148
 Unscaled step for mode   98=       -0.0000000009
 Unscaled step for mode   99=        0.0000001210
 Unscaled step for mode  100=        0.0000000500
 Unscaled step for mode  101=       -0.0000005568
 Unscaled step for mode  102=       -0.0000000496
 Unscaled step for mode  103=        0.0000000889
 Unscaled step for mode  104=        0.0000000975
 Unscaled step for mode  105=        0.0000003498
 Unscaled step for mode  106=       -0.0000003424
 Unscaled step for mode  107=        0.0000019300
 Unscaled step for mode  108=        0.0000023273
 Unscaled step for mode  109=        0.0000007020
 Unscaled step for mode  110=        0.0007269441
 Unscaled step for mode  111=        0.0000002245
 Unscaled step for mode  112=       -0.0039392161
 Unscaled step for mode  113=        0.0156384850
 Unscaled step for mode  114=       -0.2655667777
 Largest modulus ratio of non-zero e/values=           233.7285060    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.185724E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.151875E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.565235E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.871699E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.732758E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.262826E-14    0.974271E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.371028E-06    0.746426E+03  0.497073E-09 0.100000E-04    0.953951E+00
   8   -0.633848E-06    0.674174E+03  0.940185E-09 0.100000E-04    0.892973E+00
   9   -0.933051E-06    0.630531E+03  0.147979E-08 0.100000E-04    0.891937E+00
  10   -0.611319E-07    0.600863E+03  0.101740E-09 0.100000E-04    0.664663E+00
  11   -0.425624E-07    0.586430E+03  0.725788E-10 0.100000E-04    0.935715E+00
  12   -0.158721E-05    0.578892E+03  0.274180E-08 0.100000E-04    0.911852E+00
  13   -0.585666E-07    0.565157E+03  0.103629E-09 0.100000E-04    0.777667E+00
  14    0.992445E-06    0.487432E+03 -0.203607E-08 0.100000E-04    0.946599E+00
  15   -0.438496E-06    0.460714E+03  0.951774E-09 0.100000E-04    0.901345E+00
  16   -0.231310E-06    0.459832E+03  0.503033E-09 0.100000E-04    0.884687E+00
  17   -0.904921E-06    0.441694E+03  0.204875E-08 0.100000E-04    0.904788E+00
  18   -0.508016E-06    0.429259E+03  0.118347E-08 0.100000E-04    0.919669E+00
  19   -0.908569E-07    0.421978E+03  0.215312E-09 0.100000E-04    0.739300E+00
  20   -0.712237E-06    0.408072E+03  0.174537E-08 0.100000E-04    0.954111E+00
  21   -0.491545E-06    0.396386E+03  0.124007E-08 0.100000E-04    0.883667E+00
  22   -0.830225E-06    0.387589E+03  0.214203E-08 0.100000E-04    0.900700E+00
  23    0.126686E-05    0.369978E+03 -0.342415E-08 0.100000E-04    0.908335E+00
  24   -0.436019E-06    0.360543E+03  0.120934E-08 0.100000E-04    0.862817E+00
  25   -0.282824E-06    0.349393E+03  0.809470E-09 0.100000E-04    0.854575E+00
  26   -0.948301E-07    0.335291E+03  0.282829E-09 0.100000E-04    0.891402E+00
  27    0.693696E-06    0.329232E+03 -0.210701E-08 0.100000E-04    0.981242E+00
  28   -0.440588E-06    0.321861E+03  0.136888E-08 0.100000E-04    0.861626E+00
  29   -0.166161E-07    0.319075E+03  0.520760E-10 0.100000E-04    0.512529E+00
  30   -0.239410E-05    0.309522E+03  0.773484E-08 0.100000E-04    0.898609E+00
  31   -0.169801E-05    0.300864E+03  0.564377E-08 0.100000E-04    0.880516E+00
  32   -0.214882E-05    0.290562E+03  0.739540E-08 0.100000E-04    0.931549E+00
  33    0.463749E-07    0.278877E+03 -0.166292E-09 0.100000E-04    0.384270E+01
  34   -0.138781E-06    0.272697E+03  0.508919E-09 0.100000E-04    0.712247E+00
  35    0.142296E-05    0.268509E+03 -0.529948E-08 0.100000E-04    0.871092E+00
  36    0.255563E-05    0.264931E+03 -0.964640E-08 0.100000E-04    0.935359E+00
  37   -0.584373E-06    0.263753E+03  0.221560E-08 0.100000E-04    0.920969E+00
  38    0.649866E-07    0.253240E+03 -0.256621E-09 0.100000E-04    0.145878E+01
  39   -0.512379E-06    0.241533E+03  0.212136E-08 0.100000E-04    0.937194E+00
  40   -0.223390E-05    0.240762E+03  0.927843E-08 0.100000E-04    0.928444E+00
  41   -0.163493E-05    0.233949E+03  0.698842E-08 0.100000E-04    0.902903E+00
  42   -0.270215E-05    0.227514E+03  0.118769E-07 0.100000E-04    0.899083E+00
  43   -0.109303E-06    0.217081E+03  0.503514E-09 0.100000E-04    0.649868E+00
  44   -0.321379E-05    0.214884E+03  0.149559E-07 0.100000E-04    0.902122E+00
  45    0.931572E-06    0.213257E+03 -0.436831E-08 0.100000E-04    0.891990E+00
  46    0.198564E-05    0.207636E+03 -0.956307E-08 0.100000E-04    0.922753E+00
  47   -0.153258E-05    0.203018E+03  0.754899E-08 0.100000E-04    0.925941E+00
  48   -0.119155E-05    0.195500E+03  0.609487E-08 0.100000E-04    0.826998E+00
  49    0.184533E-05    0.194830E+03 -0.947151E-08 0.100000E-04    0.899091E+00
  50    0.265233E-05    0.191347E+03 -0.138614E-07 0.100000E-04    0.899277E+00
  51    0.254959E-06    0.182927E+03 -0.139378E-08 0.100000E-04    0.988295E+00
  52   -0.732150E-06    0.174301E+03  0.420049E-08 0.100000E-04    0.906611E+00
  53    0.509038E-06    0.172312E+03 -0.295417E-08 0.100000E-04    0.993428E+00
  54   -0.681441E-06    0.168208E+03  0.405117E-08 0.100000E-04    0.875175E+00
  55    0.171754E-05    0.163257E+03 -0.105205E-07 0.100000E-04    0.926326E+00
  56   -0.188990E-05    0.156888E+03  0.120462E-07 0.100000E-04    0.943988E+00
  57    0.467247E-06    0.154893E+03 -0.301657E-08 0.100000E-04    0.985588E+00
  58   -0.174850E-05    0.152267E+03  0.114831E-07 0.100000E-04    0.918343E+00
  59    0.585648E-06    0.146705E+03 -0.399202E-08 0.100000E-04    0.886204E+00
  60    0.111163E-06    0.143378E+03 -0.775311E-09 0.100000E-04    0.873421E+00
  61   -0.151097E-05    0.138057E+03  0.109446E-07 0.100000E-04    0.892745E+00
  62    0.115016E-05    0.135871E+03 -0.846506E-08 0.100000E-04    0.870744E+00
  63   -0.333601E-05    0.130312E+03  0.256002E-07 0.100000E-04    0.894888E+00
  64    0.136769E-06    0.128821E+03 -0.106170E-08 0.100000E-04    0.798046E+00
  65   -0.202980E-05    0.126877E+03  0.159982E-07 0.100000E-04    0.914567E+00
  66    0.120474E-05    0.124148E+03 -0.970412E-08 0.100000E-04    0.912123E+00
  67   -0.294876E-05    0.119996E+03  0.245738E-07 0.100000E-04    0.911105E+00
  68    0.318189E-06    0.118167E+03 -0.269272E-08 0.100000E-04    0.845604E+00
  69   -0.885344E-07    0.116875E+03  0.757517E-09 0.100000E-04    0.991064E+00
  70   -0.254280E-05    0.110351E+03  0.230427E-07 0.100000E-04    0.890822E+00
  71   -0.101019E-05    0.106858E+03  0.945360E-08 0.100000E-04    0.908332E+00
  72   -0.106468E-05    0.104419E+03  0.101962E-07 0.100000E-04    0.892236E+00
  73    0.180633E-06    0.102840E+03 -0.175646E-08 0.100000E-04    0.943919E+00
  74    0.949917E-06    0.995344E+02 -0.954361E-08 0.100000E-04    0.959787E+00
  75    0.210605E-06    0.960968E+02 -0.219159E-08 0.100000E-04    0.708062E+00
  76    0.620895E-06    0.941188E+02 -0.659693E-08 0.100000E-04    0.868832E+00
  77   -0.329279E-05    0.920030E+02  0.357900E-07 0.100000E-04    0.952247E+00
  78    0.512562E-06    0.912063E+02 -0.561981E-08 0.100000E-04    0.955473E+00
  79   -0.535288E-06    0.884497E+02  0.605189E-08 0.100000E-04    0.831924E+00
  80    0.700783E-06    0.855865E+02 -0.818801E-08 0.100000E-04    0.806569E+00
  81    0.181873E-05    0.808247E+02 -0.225021E-07 0.100000E-04    0.877759E+00
  82    0.188690E-05    0.804665E+02 -0.234496E-07 0.100000E-04    0.877536E+00
  83    0.293766E-06    0.779577E+02 -0.376828E-08 0.100000E-04    0.597310E+00
  84   -0.893510E-06    0.733016E+02  0.121895E-07 0.100000E-04    0.855852E+00
  85   -0.460333E-05    0.725943E+02  0.634117E-07 0.100000E-04    0.941392E+00
  86    0.252086E-06    0.679292E+02 -0.371101E-08 0.100000E-04    0.672859E+00
  87    0.191129E-05    0.647792E+02 -0.295046E-07 0.100000E-04    0.914384E+00
  88   -0.327844E-05    0.613858E+02  0.534072E-07 0.100000E-04    0.984617E+00
  89    0.403408E-05    0.598496E+02 -0.674037E-07 0.100000E-04    0.933995E+00
  90   -0.101772E-05    0.593918E+02  0.171358E-07 0.100000E-04    0.678340E+00
  91    0.400498E-05    0.581447E+02 -0.688796E-07 0.100000E-04    0.894424E+00
  92    0.515181E-05    0.558680E+02 -0.922140E-07 0.100000E-04    0.861357E+00
  93    0.483244E-05    0.524596E+02 -0.921174E-07 0.100000E-04    0.902942E+00
  94    0.885505E-06    0.520470E+02 -0.170136E-07 0.100000E-04    0.870566E+00
  95    0.446642E-05    0.501933E+02 -0.889844E-07 0.100000E-04    0.933644E+00
  96   -0.275536E-05    0.462106E+02  0.596262E-07 0.100000E-04    0.928056E+00
  97   -0.497591E-05    0.433254E+02  0.114850E-06 0.100000E-04    0.884730E+00
  98    0.349360E-07    0.409001E+02 -0.854178E-09 0.100000E-04    0.288945E+00
  99   -0.458071E-05    0.378723E+02  0.120951E-06 0.100000E-04    0.952653E+00
 100   -0.181102E-05    0.362273E+02  0.499907E-07 0.100000E-04    0.972738E+00
 101    0.179887E-04    0.323063E+02 -0.556817E-06 0.100000E-04    0.901688E+00
 102    0.143231E-05    0.288764E+02 -0.496012E-07 0.100000E-04    0.828329E+00
 103   -0.253043E-05    0.284502E+02  0.889426E-07 0.100000E-04    0.847933E+00
 104   -0.256209E-05    0.262897E+02  0.974561E-07 0.100000E-04    0.746925E+00
 105   -0.815757E-05    0.233209E+02  0.349797E-06 0.100000E-04    0.912146E+00
 106    0.729817E-05    0.213145E+02 -0.342404E-06 0.100000E-04    0.963444E+00
 107   -0.383264E-04    0.198581E+02  0.193001E-05 0.100000E-04    0.895431E+00
 108   -0.383450E-04    0.164758E+02  0.232735E-05 0.100000E-04    0.901986E+00
 109   -0.975857E-05    0.139002E+02  0.702044E-06 0.100000E-04    0.965146E+00
 110   -0.889627E-02    0.122379E+02  0.141158E-04 0.141158E-04    0.102178E+00
 111   -0.226511E-05    0.100910E+02  0.224468E-06 0.100000E-04    0.865599E+00
 112    0.352663E-01    0.895247E+01 -0.100000E-04 0.100000E-04    0.949611E+00
 113   -0.898266E-01    0.574254E+01  0.330099E-04 0.330099E-04    0.360103E+00
 114   -0.912455E+00    0.319356E+01 -0.141816E-04 0.141816E-04    0.736910E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.3300985539E-04    0.2655667777    

 Beginning of optimization cycle  534.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3000150837
 potential> RMS force:                                               0.0859419355   |gradient|=.9176087701    
 Eigenvalues of the Hessian matrix:
   746.43136    674.17106    630.53384    600.86127    586.42876    578.89259 
   565.15170    487.43178    460.71227    459.83047    441.69290    429.26214 
   421.97718    408.07008    396.38540    387.58683    369.97915    360.54392 
   349.39300    335.29108    329.23320    321.86020    319.07628    309.51969 
   300.86357    290.56307    278.87903    272.69832    268.51013    264.93166 
   263.75527    253.23991    241.53448    240.76281    233.95026    227.51476 
   217.08205    214.88427    213.25702    207.63694    203.01730    195.49887 
   194.83015    191.34699    182.92738    174.30245    172.31201    168.20875 
   163.25583    156.88747    154.89360    152.26676    146.70392    143.37735 
   138.05777    135.87132    130.31139    128.82166    126.87738    124.14619 
   119.99650    118.16655    116.87374    110.35170    106.85690    104.42003 
   102.83994     99.53384     96.09659     94.11834     92.00239     91.20686 
    88.44907     85.58696     80.82486     80.46727     77.95758     73.30111 
    72.59335     67.92876     64.77862     61.38510     59.84932     59.39184 
    58.14435     55.86796     52.45922     52.04654     50.19416     46.20945 
    43.32566     40.90039     37.87203     36.22649     32.30551     28.87689 
    28.45022     26.28990     23.32122     21.31454     19.85804     16.47541 
    13.90038     12.23797     10.09101      8.95460      5.74262      3.19311 
overlap for current and previous eigenvector    109 is         0.9999999716
overlap for current and previous eigenvector    110 is         0.9999999886
overlap for current and previous eigenvector    111 is         0.9999999508
overlap for current and previous eigenvector    112 is         0.9999998903
overlap for current and previous eigenvector    113 is         0.9999998722
overlap for current and previous eigenvector    114 is         0.9999999349
J1,K1,R1,R2,RAT=   7   7    0.3922460707E-01     1.960762092        0.9607620920    
FOB,PFOB,DIAG,PSTEP=   -0.3564747462E-06   -0.3710282815E-06     746.4313585        0.4970728317E-09
J1,K1,R1,R2,RAT=   8   8    0.1092237695         1.890784474        0.8907762305    
FOB,PFOB,DIAG,PSTEP=   -0.5646169068E-06   -0.6338478757E-06     674.1710628        0.9401846178E-09
J1,K1,R1,R2,RAT=   9   9    0.1120051418         1.887985756        0.8879857557    
FOB,PFOB,DIAG,PSTEP=   -0.8285438318E-06   -0.9330507939E-06     630.5338442        0.1479785818E-08
J1,K1,R1,R2,RAT=  10  10    0.4723664555         1.527640471        0.5276335445    
FOB,PFOB,DIAG,PSTEP=   -0.3225532475E-07   -0.6113186904E-07     600.8612710        0.1017400526E-09
J1,K1,R1,R2,RAT=  11  11   -0.6749943335E-01     2.067504623        0.9325005667    
FOB,PFOB,DIAG,PSTEP=   -0.4543532025E-07   -0.4256239047E-07     586.4287602        0.7257877326E-10
J1,K1,R1,R2,RAT= 109 109    0.3201955464E-01     1.967959004        0.9679590042    
FOB,PFOB,DIAG,PSTEP=   -0.9446100701E-05   -0.9758569086E-05     13.90038255        0.7020435352E-06
J1,K1,R1,R2,RAT= 110 110     1.082148223         101.9143076        0.8214822265E-01
FOB,PFOB,DIAG,PSTEP=   -0.8709326835E-02   -0.8896266847E-02     12.23797395        0.1411581610E-04
J1,K1,R1,R2,RAT= 111 111    0.1060828600         1.893915187        0.8939151874    
FOB,PFOB,DIAG,PSTEP=   -0.2024817909E-05   -0.2265107193E-05     10.09100763        0.2244681093E-06
J1,K1,R1,R2,RAT= 112 112    0.1208838215         787.5468373        0.8791161785    
FOB,PFOB,DIAG,PSTEP=    0.3525542811E-01    0.3526625277E-01     8.954601496       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.6206977429         948.3428350        0.3793022571    
FOB,PFOB,DIAG,PSTEP=   -0.8994422618E-01   -0.8982656480E-01     5.742620807        0.3300985539E-04
J1,K1,R1,R2,RAT= 114 114    0.2679525269        -40300.07993        0.7320474731    
FOB,PFOB,DIAG,PSTEP=   -0.9124675832       -0.9124554494         3.193110698       -0.1418158166E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00002      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00001     -0.00871     -0.00000      0.03526     -0.08994     -0.91247 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3845294527
 Log product of positive Hessian eigenvalues =          519.0680561346
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1931106981
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000008
 Unscaled step for mode    9=        0.0000000013
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000025
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000019
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000004
 Unscaled step for mode   17=        0.0000000019
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000017
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000019
 Unscaled step for mode   23=       -0.0000000031
 Unscaled step for mode   24=        0.0000000010
 Unscaled step for mode   25=        0.0000000007
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000021
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000070
 Unscaled step for mode   31=        0.0000000050
 Unscaled step for mode   32=        0.0000000069
 Unscaled step for mode   33=       -0.0000000003
 Unscaled step for mode   34=        0.0000000006
 Unscaled step for mode   35=       -0.0000000046
 Unscaled step for mode   36=       -0.0000000091
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=       -0.0000000004
 Unscaled step for mode   39=        0.0000000020
 Unscaled step for mode   40=        0.0000000087
 Unscaled step for mode   41=        0.0000000063
 Unscaled step for mode   42=        0.0000000107
 Unscaled step for mode   43=        0.0000000003
 Unscaled step for mode   44=        0.0000000135
 Unscaled step for mode   45=       -0.0000000039
 Unscaled step for mode   46=       -0.0000000089
 Unscaled step for mode   47=        0.0000000070
 Unscaled step for mode   48=        0.0000000049
 Unscaled step for mode   49=       -0.0000000085
 Unscaled step for mode   50=       -0.0000000125
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=       -0.0000000030
 Unscaled step for mode   54=        0.0000000035
 Unscaled step for mode   55=       -0.0000000098
 Unscaled step for mode   56=        0.0000000114
 Unscaled step for mode   57=       -0.0000000030
 Unscaled step for mode   58=        0.0000000106
 Unscaled step for mode   59=       -0.0000000035
 Unscaled step for mode   60=       -0.0000000007
 Unscaled step for mode   61=        0.0000000098
 Unscaled step for mode   62=       -0.0000000073
 Unscaled step for mode   63=        0.0000000229
 Unscaled step for mode   64=       -0.0000000008
 Unscaled step for mode   65=        0.0000000146
 Unscaled step for mode   66=       -0.0000000089
 Unscaled step for mode   67=        0.0000000224
 Unscaled step for mode   68=       -0.0000000022
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=       -0.0000000205
 Unscaled step for mode   71=        0.0000000086
 Unscaled step for mode   72=        0.0000000090
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000100
 Unscaled step for mode   75=       -0.0000000013
 Unscaled step for mode   76=       -0.0000000057
 Unscaled step for mode   77=        0.0000000344
 Unscaled step for mode   78=        0.0000000058
 Unscaled step for mode   79=        0.0000000049
 Unscaled step for mode   80=       -0.0000000064
 Unscaled step for mode   81=       -0.0000000196
 Unscaled step for mode   82=       -0.0000000205
 Unscaled step for mode   83=       -0.0000000059
 Unscaled step for mode   84=        0.0000000103
 Unscaled step for mode   85=        0.0000000601
 Unscaled step for mode   86=       -0.0000000019
 Unscaled step for mode   87=        0.0000000272
 Unscaled step for mode   88=       -0.0000000546
 Unscaled step for mode   89=        0.0000000633
 Unscaled step for mode   90=       -0.0000000092
 Unscaled step for mode   91=        0.0000000617
 Unscaled step for mode   92=        0.0000000787
 Unscaled step for mode   93=        0.0000000833
 Unscaled step for mode   94=        0.0000000147
 Unscaled step for mode   95=        0.0000000836
 Unscaled step for mode   96=        0.0000000559
 Unscaled step for mode   97=        0.0000001011
 Unscaled step for mode   98=        0.0000000015
 Unscaled step for mode   99=        0.0000001162
 Unscaled step for mode  100=        0.0000000487
 Unscaled step for mode  101=       -0.0000005033
 Unscaled step for mode  102=       -0.0000000569
 Unscaled step for mode  103=        0.0000000737
 Unscaled step for mode  104=        0.0000001151
 Unscaled step for mode  105=        0.0000003199
 Unscaled step for mode  106=       -0.0000003312
 Unscaled step for mode  107=        0.0000017322
 Unscaled step for mode  108=        0.0000021027
 Unscaled step for mode  109=        0.0000006796
 Unscaled step for mode  110=        0.0007116637
 Unscaled step for mode  111=        0.0000002007
 Unscaled step for mode  112=       -0.0039370687
 Unscaled step for mode  113=        0.0156587341
 Unscaled step for mode  114=       -0.2656024070
 Largest modulus ratio of non-zero e/values=           233.7630697    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.118395E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.131731E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.144543E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.497866E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.426403E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.229116E-14    0.974271E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.356475E-06    0.746431E+03  0.477572E-09 0.100000E-04    0.960762E+00
   8   -0.564617E-06    0.674171E+03  0.837498E-09 0.100000E-04    0.890776E+00
   9   -0.828544E-06    0.630534E+03  0.131404E-08 0.100000E-04    0.887986E+00
  10   -0.322553E-07    0.600861E+03  0.536818E-10 0.100000E-04    0.527634E+00
  11   -0.454353E-07    0.586429E+03  0.774780E-10 0.100000E-04    0.932501E+00
  12   -0.144840E-05    0.578893E+03  0.250202E-08 0.100000E-04    0.912548E+00
  13   -0.441595E-07    0.565152E+03  0.781374E-10 0.100000E-04    0.754002E+00
  14    0.946094E-06    0.487432E+03 -0.194098E-08 0.100000E-04    0.953295E+00
  15   -0.393273E-06    0.460712E+03  0.853621E-09 0.100000E-04    0.896869E+00
  16   -0.204631E-06    0.459830E+03  0.445014E-09 0.100000E-04    0.884661E+00
  17   -0.819992E-06    0.441693E+03  0.185647E-08 0.100000E-04    0.906148E+00
  18   -0.466201E-06    0.429262E+03  0.108605E-08 0.100000E-04    0.917675E+00
  19   -0.602066E-07    0.421977E+03  0.142677E-09 0.100000E-04    0.662652E+00
  20   -0.683510E-06    0.408070E+03  0.167498E-08 0.100000E-04    0.959667E+00
  21   -0.430576E-06    0.396385E+03  0.108626E-08 0.100000E-04    0.875965E+00
  22   -0.746183E-06    0.387587E+03  0.192520E-08 0.100000E-04    0.898771E+00
  23    0.115066E-05    0.369979E+03 -0.311008E-08 0.100000E-04    0.908275E+00
  24   -0.370225E-06    0.360544E+03  0.102685E-08 0.100000E-04    0.849098E+00
  25   -0.241214E-06    0.349393E+03  0.690379E-09 0.100000E-04    0.852876E+00
  26   -0.823178E-07    0.335291E+03  0.245511E-09 0.100000E-04    0.868054E+00
  27    0.686585E-06    0.329233E+03 -0.208541E-08 0.100000E-04    0.989741E+00
  28   -0.375465E-06    0.321860E+03  0.116655E-08 0.100000E-04    0.852189E+00
  29   -0.614097E-07    0.319076E+03  0.192461E-09 0.100000E-04    0.169577E+01
  30   -0.215596E-05    0.309520E+03  0.696550E-08 0.100000E-04    0.900528E+00
  31   -0.149045E-05    0.300864E+03  0.495389E-08 0.100000E-04    0.877762E+00
  32   -0.201233E-05    0.290563E+03  0.692562E-08 0.100000E-04    0.936475E+00
  33    0.970490E-07    0.278879E+03 -0.347997E-09 0.109000E-04    0.926966E-01
  34   -0.167294E-06    0.272698E+03  0.613477E-09 0.100000E-04    0.794546E+00
  35    0.122902E-05    0.268510E+03 -0.457720E-08 0.100000E-04    0.863703E+00
  36    0.240439E-05    0.264932E+03 -0.907551E-08 0.100000E-04    0.940817E+00
  37   -0.538128E-06    0.263755E+03  0.204025E-08 0.100000E-04    0.920850E+00
  38    0.111610E-06    0.253240E+03 -0.440727E-09 0.100000E-04    0.282574E+00
  39   -0.481975E-06    0.241534E+03  0.199547E-08 0.100000E-04    0.940653E+00
  40   -0.208280E-05    0.240763E+03  0.865084E-08 0.100000E-04    0.932359E+00
  41   -0.147532E-05    0.233950E+03  0.630614E-08 0.100000E-04    0.902364E+00
  42   -0.243070E-05    0.227515E+03  0.106837E-07 0.100000E-04    0.899537E+00
  43   -0.546157E-07    0.217082E+03  0.251590E-09 0.100000E-04    0.499663E+00
  44   -0.289923E-05    0.214884E+03  0.134921E-07 0.100000E-04    0.902121E+00
  45    0.829285E-06    0.213257E+03 -0.388867E-08 0.100000E-04    0.890199E+00
  46    0.183797E-05    0.207637E+03 -0.885187E-08 0.100000E-04    0.925626E+00
  47   -0.142606E-05    0.203017E+03  0.702432E-08 0.100000E-04    0.930496E+00
  48   -0.957580E-06    0.195499E+03  0.489814E-08 0.100000E-04    0.803643E+00
  49    0.166072E-05    0.194830E+03 -0.852392E-08 0.100000E-04    0.899952E+00
  50    0.238930E-05    0.191347E+03 -0.124867E-07 0.100000E-04    0.900829E+00
  51    0.258636E-06    0.182927E+03 -0.141387E-08 0.100000E-04    0.985579E+00
  52   -0.663144E-06    0.174302E+03  0.380456E-08 0.100000E-04    0.905735E+00
  53    0.512732E-06    0.172312E+03 -0.297560E-08 0.100000E-04    0.992744E+00
  54   -0.595697E-06    0.168209E+03  0.354141E-08 0.100000E-04    0.874168E+00
  55    0.160155E-05    0.163256E+03 -0.981004E-08 0.100000E-04    0.932467E+00
  56   -0.178908E-05    0.156887E+03  0.114036E-07 0.100000E-04    0.946654E+00
  57    0.460380E-06    0.154894E+03 -0.297223E-08 0.100000E-04    0.985298E+00
  58   -0.161506E-05    0.152267E+03  0.106068E-07 0.100000E-04    0.923685E+00
  59    0.513797E-06    0.146704E+03 -0.350227E-08 0.100000E-04    0.877314E+00
  60    0.102218E-06    0.143377E+03 -0.712932E-09 0.100000E-04    0.919538E+00
  61   -0.134623E-05    0.138058E+03  0.975119E-08 0.100000E-04    0.890957E+00
  62    0.990917E-06    0.135871E+03 -0.729305E-08 0.100000E-04    0.861548E+00
  63   -0.298647E-05    0.130311E+03  0.229179E-07 0.100000E-04    0.895220E+00
  64    0.106548E-06    0.128822E+03 -0.827097E-09 0.100000E-04    0.779029E+00
  65   -0.185705E-05    0.126877E+03  0.146365E-07 0.100000E-04    0.914886E+00
  66    0.110238E-05    0.124146E+03 -0.887972E-08 0.100000E-04    0.915034E+00
  67   -0.269109E-05    0.119996E+03  0.224264E-07 0.100000E-04    0.912612E+00
  68    0.261840E-06    0.118167E+03 -0.221586E-08 0.100000E-04    0.822906E+00
  69   -0.867817E-07    0.116874E+03  0.742525E-09 0.100000E-04    0.980202E+00
  70    0.226348E-05    0.110352E+03 -0.205115E-07 0.100000E-04    0.890147E+00
  71   -0.917479E-06    0.106857E+03  0.858605E-08 0.100000E-04    0.908225E+00
  72   -0.941369E-06    0.104420E+03  0.901521E-08 0.100000E-04    0.884167E+00
  73    0.170591E-06    0.102840E+03 -0.165881E-08 0.100000E-04    0.944402E+00
  74    0.997600E-06    0.995338E+02 -0.100227E-07 0.100000E-04    0.949803E+00
  75    0.129654E-06    0.960966E+02 -0.134921E-08 0.100000E-04    0.615626E+00
  76    0.538057E-06    0.941183E+02 -0.571682E-08 0.100000E-04    0.866582E+00
  77   -0.316395E-05    0.920024E+02  0.343898E-07 0.100000E-04    0.960870E+00
  78   -0.528096E-06    0.912069E+02  0.579009E-08 0.100000E-04    0.969693E+00
  79   -0.432347E-06    0.884491E+02  0.488809E-08 0.100000E-04    0.807689E+00
  80    0.545290E-06    0.855870E+02 -0.637118E-08 0.100000E-04    0.778105E+00
  81    0.158751E-05    0.808249E+02 -0.196414E-07 0.100000E-04    0.872868E+00
  82    0.164825E-05    0.804673E+02 -0.204835E-07 0.100000E-04    0.873503E+00
  83    0.461740E-06    0.779576E+02 -0.592297E-08 0.100000E-04    0.428206E+00
  84   -0.757270E-06    0.733011E+02  0.103309E-07 0.100000E-04    0.847522E+00
  85   -0.436142E-05    0.725933E+02  0.600801E-07 0.100000E-04    0.947448E+00
  86    0.129664E-06    0.679288E+02 -0.190882E-08 0.100000E-04    0.514360E+00
  87   -0.175922E-05    0.647786E+02  0.271574E-07 0.100000E-04    0.920435E+00
  88    0.335087E-05    0.613851E+02 -0.545877E-07 0.100000E-04    0.977907E+00
  89   -0.378581E-05    0.598493E+02  0.632557E-07 0.100000E-04    0.938457E+00
  90    0.547363E-06    0.593918E+02 -0.921614E-08 0.100000E-04    0.537830E+00
  91   -0.358556E-05    0.581444E+02  0.616665E-07 0.100000E-04    0.895274E+00
  92   -0.439756E-05    0.558680E+02  0.787135E-07 0.100000E-04    0.853596E+00
  93   -0.436812E-05    0.524592E+02  0.832670E-07 0.100000E-04    0.903916E+00
  94   -0.766412E-06    0.520465E+02  0.147255E-07 0.100000E-04    0.865507E+00
  95   -0.419631E-05    0.501942E+02  0.836016E-07 0.100000E-04    0.939491E+00
  96   -0.258496E-05    0.462094E+02  0.559401E-07 0.100000E-04    0.938155E+00
  97   -0.438206E-05    0.433257E+02  0.101142E-06 0.100000E-04    0.880643E+00
  98   -0.614862E-07    0.409004E+02  0.150332E-08 0.100000E-04    0.240037E+00
  99   -0.439956E-05    0.378720E+02  0.116169E-06 0.100000E-04    0.960454E+00
 100   -0.176604E-05    0.362265E+02  0.487499E-07 0.100000E-04    0.975158E+00
 101    0.162607E-04    0.323055E+02 -0.503343E-06 0.100000E-04    0.903942E+00
 102    0.164247E-05    0.288769E+02 -0.568785E-07 0.100000E-04    0.853270E+00
 103   -0.209611E-05    0.284502E+02  0.736765E-07 0.100000E-04    0.828358E+00
 104   -0.302532E-05    0.262899E+02  0.115075E-06 0.100000E-04    0.819200E+00
 105   -0.746058E-05    0.233212E+02  0.319905E-06 0.100000E-04    0.914533E+00
 106    0.706007E-05    0.213145E+02 -0.331233E-06 0.100000E-04    0.967370E+00
 107   -0.343987E-04    0.198580E+02  0.173223E-05 0.100000E-04    0.897519E+00
 108   -0.346421E-04    0.164754E+02  0.210266E-05 0.100000E-04    0.903430E+00
 109   -0.944610E-05    0.139004E+02  0.679557E-06 0.100000E-04    0.967959E+00
 110   -0.870933E-02    0.122380E+02  0.153862E-04 0.153862E-04    0.821482E-01
 111   -0.202482E-05    0.100910E+02  0.200656E-06 0.100000E-04    0.893915E+00
 112    0.352554E-01    0.895460E+01 -0.100000E-04 0.100000E-04    0.879116E+00
 113   -0.899442E-01    0.574262E+01  0.297386E-04 0.297386E-04    0.379302E+00
 114   -0.912468E+00    0.319311E+01 -0.127762E-04 0.127762E-04    0.732047E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2973860846E-04    0.2656024070    

 Beginning of optimization cycle  535.
 -------------------------------------
 potential> Energy for last cycle=                                -169.3000065826
 potential> RMS force:                                               0.0859436795   |gradient|=.9176273915    
 Eigenvalues of the Hessian matrix:
   746.43569    674.16847    630.53631    600.85937    586.42733    578.89263 
   565.14723    487.43206    460.71053    459.82929    441.69228    429.26493 
   421.97592    408.06779    396.38451    387.58489    369.97999    360.54450 
   349.39250    335.29119    329.23448    321.85942    319.07771    309.51726 
   300.86299    290.56396    278.88138    272.69910    268.51091    264.93211 
   263.75709    253.23979    241.53545    240.76310    233.95157    227.51509 
   217.08321    214.88432    213.25715    207.63770    203.01697    195.49767 
   194.83048    191.34714    182.92803    174.30356    172.31249    168.20896 
   163.25510    156.88723    154.89390    152.26657    146.70321    143.37669 
   138.05846    135.87136    130.31092    128.82204    126.87771    124.14478 
   119.99676    118.16647    116.87295    110.35189    106.85620    104.42062 
   102.84021     99.53331     96.09641     94.11797     92.00180     91.20742 
    88.44852     85.58740     80.82504     80.46790     77.95756     73.30068 
    72.59253     67.92840     64.77810     61.38445     59.84909     59.39189 
    58.14408     55.86806     52.45889     52.04616     50.19503     46.20836 
    43.32583     40.90066     37.87182     36.22584     32.30480     28.87732 
    28.45026     26.29007     23.32155     21.31461     19.85802     16.47498 
    13.90054     12.23807     10.09103      8.95661      5.74269      3.19269 
overlap for current and previous eigenvector    109 is         0.9999999743
overlap for current and previous eigenvector    110 is        -0.9999999866
overlap for current and previous eigenvector    111 is        -0.9999999565
overlap for current and previous eigenvector    112 is         0.9999999059
overlap for current and previous eigenvector    113 is         0.9999998932
overlap for current and previous eigenvector    114 is         0.9999999483
J1,K1,R1,R2,RAT=   7   7    0.3119798369E-01     1.968790402        0.9687904018    
FOB,PFOB,DIAG,PSTEP=   -0.3453533883E-06   -0.3564747462E-06     746.4356933        0.4775720394E-09
J1,K1,R1,R2,RAT=   8   8    0.1117775677         1.888230132        0.8882224323    
FOB,PFOB,DIAG,PSTEP=   -0.5015056452E-06   -0.5646169068E-06     674.1684675        0.8374979852E-09
J1,K1,R1,R2,RAT=   9   9    0.1168068857         1.883185279        0.8831852794    
FOB,PFOB,DIAG,PSTEP=   -0.7317638280E-06   -0.8285438318E-06     630.5363143        0.1314035463E-08
J1,K1,R1,R2,RAT=  10  10    0.8384610548         1.161545262        0.1615389452    
FOB,PFOB,DIAG,PSTEP=   -0.5210576555E-08   -0.3225532475E-07     600.8593733        0.5368181693E-10
J1,K1,R1,R2,RAT=  11  11   -0.7886217474E-01     2.078867045        0.9211378253    
FOB,PFOB,DIAG,PSTEP=   -0.4901843969E-07   -0.4543532025E-07     586.4273322        0.7747798767E-10
J1,K1,R1,R2,RAT= 109 109    0.2722119431E-01     1.972756680        0.9727566799    
FOB,PFOB,DIAG,PSTEP=   -0.9188963713E-05   -0.9446100701E-05     13.90053633        0.6795568876E-06
J1,K1,R1,R2,RAT= 110 110     91.44019561         1.065658954        0.6565895442E-01
FOB,PFOB,DIAG,PSTEP=    0.8508665543E-02   -0.8709326835E-02     12.23806837        0.1538623955E-04
J1,K1,R1,R2,RAT= 111 111     1.907009317        0.9298718534E-01    0.9070093170    
FOB,PFOB,DIAG,PSTEP=    0.1836535461E-05   -0.2024817909E-05     10.09102528        0.2006556711E-06
J1,K1,R1,R2,RAT= 112 112    0.1840517727         787.0657379        0.8159482273    
FOB,PFOB,DIAG,PSTEP=    0.3523894332E-01    0.3525542811E-01     8.956605278       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.5972008460         1053.933311        0.4027991540    
FOB,PFOB,DIAG,PSTEP=   -0.9004621598E-01   -0.8994422618E-01     5.742693922        0.2973860846E-04
J1,K1,R1,R2,RAT= 114 114    0.2745149547        -44739.56627        0.7254850453    
FOB,PFOB,DIAG,PSTEP=   -0.9124787808       -0.9124675832         3.192689207       -0.1277619970E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00001      0.00851      0.00000      0.03524     -0.09005     -0.91248 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3845001865
 Log product of positive Hessian eigenvalues =          519.0681002145
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1926892065
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000023
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000019
 Unscaled step for mode   15=        0.0000000008
 Unscaled step for mode   16=        0.0000000004
 Unscaled step for mode   17=        0.0000000017
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000016
 Unscaled step for mode   21=        0.0000000009
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000028
 Unscaled step for mode   24=        0.0000000009
 Unscaled step for mode   25=        0.0000000006
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000021
 Unscaled step for mode   28=        0.0000000010
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000063
 Unscaled step for mode   31=        0.0000000043
 Unscaled step for mode   32=        0.0000000065
 Unscaled step for mode   33=       -0.0000000005
 Unscaled step for mode   34=        0.0000000007
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000086
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=       -0.0000000006
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000081
 Unscaled step for mode   41=        0.0000000057
 Unscaled step for mode   42=        0.0000000096
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000122
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000082
 Unscaled step for mode   47=        0.0000000066
 Unscaled step for mode   48=        0.0000000038
 Unscaled step for mode   49=       -0.0000000077
 Unscaled step for mode   50=       -0.0000000113
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000030
 Unscaled step for mode   54=        0.0000000031
 Unscaled step for mode   55=       -0.0000000092
 Unscaled step for mode   56=        0.0000000108
 Unscaled step for mode   57=       -0.0000000029
 Unscaled step for mode   58=        0.0000000098
 Unscaled step for mode   59=       -0.0000000030
 Unscaled step for mode   60=       -0.0000000007
 Unscaled step for mode   61=        0.0000000087
 Unscaled step for mode   62=       -0.0000000062
 Unscaled step for mode   63=        0.0000000205
 Unscaled step for mode   64=       -0.0000000006
 Unscaled step for mode   65=        0.0000000134
 Unscaled step for mode   66=       -0.0000000082
 Unscaled step for mode   67=        0.0000000205
 Unscaled step for mode   68=       -0.0000000018
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=       -0.0000000182
 Unscaled step for mode   71=        0.0000000078
 Unscaled step for mode   72=        0.0000000079
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000106
 Unscaled step for mode   75=       -0.0000000006
 Unscaled step for mode   76=       -0.0000000049
 Unscaled step for mode   77=       -0.0000000333
 Unscaled step for mode   78=        0.0000000059
 Unscaled step for mode   79=        0.0000000038
 Unscaled step for mode   80=       -0.0000000047
 Unscaled step for mode   81=       -0.0000000170
 Unscaled step for mode   82=       -0.0000000178
 Unscaled step for mode   83=       -0.0000000080
 Unscaled step for mode   84=        0.0000000086
 Unscaled step for mode   85=        0.0000000573
 Unscaled step for mode   86=       -0.0000000001
 Unscaled step for mode   87=        0.0000000251
 Unscaled step for mode   88=       -0.0000000561
 Unscaled step for mode   89=        0.0000000597
 Unscaled step for mode   90=       -0.0000000015
 Unscaled step for mode   91=        0.0000000550
 Unscaled step for mode   92=        0.0000000663
 Unscaled step for mode   93=        0.0000000752
 Unscaled step for mode   94=        0.0000000126
 Unscaled step for mode   95=        0.0000000791
 Unscaled step for mode   96=        0.0000000528
 Unscaled step for mode   97=        0.0000000886
 Unscaled step for mode   98=        0.0000000040
 Unscaled step for mode   99=        0.0000001124
 Unscaled step for mode  100=        0.0000000476
 Unscaled step for mode  101=       -0.0000004554
 Unscaled step for mode  102=       -0.0000000645
 Unscaled step for mode  103=        0.0000000591
 Unscaled step for mode  104=        0.0000001320
 Unscaled step for mode  105=        0.0000002927
 Unscaled step for mode  106=       -0.0000003214
 Unscaled step for mode  107=        0.0000015560
 Unscaled step for mode  108=        0.0000019005
 Unscaled step for mode  109=        0.0000006611
 Unscaled step for mode  110=       -0.0006952618
 Unscaled step for mode  111=       -0.0000001820
 Unscaled step for mode  112=       -0.0039343475
 Unscaled step for mode  113=        0.0156762817
 Unscaled step for mode  114=       -0.2656356794
 Largest modulus ratio of non-zero e/values=           233.7952882    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.920488E-16    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.135444E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.376449E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.868463E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.470761E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.297735E-14    0.974272E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.345353E-06    0.746436E+03  0.462670E-09 0.100000E-04    0.968790E+00
   8   -0.501506E-06    0.674168E+03  0.743888E-09 0.100000E-04    0.888222E+00
   9   -0.731764E-06    0.630536E+03  0.116054E-08 0.100000E-04    0.883185E+00
  10   -0.521058E-08    0.600859E+03  0.867187E-11 0.109000E-04    0.161539E+00
  11   -0.490184E-07    0.586427E+03  0.835883E-10 0.100000E-04    0.921138E+00
  12   -0.132308E-05    0.578893E+03  0.228554E-08 0.100000E-04    0.913475E+00
  13   -0.320675E-07    0.565147E+03  0.567418E-10 0.100000E-04    0.726173E+00
  14    0.909023E-06    0.487432E+03 -0.186492E-08 0.100000E-04    0.960816E+00
  15   -0.350300E-06    0.460711E+03  0.760348E-09 0.100000E-04    0.890729E+00
  16   -0.180796E-06    0.459829E+03  0.393182E-09 0.100000E-04    0.883523E+00
  17   -0.743761E-06    0.441692E+03  0.168389E-08 0.100000E-04    0.907034E+00
  18   -0.427006E-06    0.429265E+03  0.994738E-09 0.100000E-04    0.915915E+00
  19   -0.309581E-07    0.421976E+03  0.733646E-10 0.100000E-04    0.514196E+00
  20   -0.659644E-06    0.408068E+03  0.161651E-08 0.100000E-04    0.965084E+00
  21   -0.373242E-06    0.396385E+03  0.941617E-09 0.100000E-04    0.866843E+00
  22   -0.668422E-06    0.387585E+03  0.172458E-08 0.100000E-04    0.895788E+00
  23    0.104537E-05    0.369980E+03 -0.282547E-08 0.100000E-04    0.908487E+00
  24   -0.307509E-06    0.360544E+03  0.852900E-09 0.100000E-04    0.830597E+00
  25   -0.204822E-06    0.349393E+03  0.586223E-09 0.100000E-04    0.849131E+00
  26   -0.708950E-07    0.335291E+03  0.211443E-09 0.100000E-04    0.861236E+00
  27    0.683679E-06    0.329234E+03 -0.207657E-08 0.100000E-04    0.995759E+00
  28   -0.314586E-06    0.321859E+03  0.977403E-09 0.100000E-04    0.837858E+00
  29   -0.104938E-06    0.319078E+03  0.328878E-09 0.100000E-04    0.291192E+00
  30   -0.194283E-05    0.309517E+03  0.627697E-08 0.100000E-04    0.901143E+00
  31   -0.130224E-05    0.300863E+03  0.432835E-08 0.100000E-04    0.873725E+00
  32   -0.189384E-05    0.290564E+03  0.651781E-08 0.100000E-04    0.941111E+00
  33    0.145529E-06    0.278881E+03 -0.521833E-09 0.100000E-04    0.500458E+00
  34   -0.195129E-06    0.272699E+03  0.715548E-09 0.100000E-04    0.833616E+00
  35    0.104925E-05    0.268511E+03 -0.390766E-08 0.100000E-04    0.853721E+00
  36    0.227613E-05    0.264932E+03 -0.859136E-08 0.100000E-04    0.946652E+00
  37   -0.495618E-06    0.263757E+03  0.187907E-08 0.100000E-04    0.920990E+00
  38    0.158598E-06    0.253240E+03 -0.626277E-09 0.100000E-04    0.578991E+00
  39   -0.456233E-06    0.241535E+03  0.188888E-08 0.100000E-04    0.946583E+00
  40   -0.195033E-05    0.240763E+03  0.810062E-08 0.100000E-04    0.936396E+00
  41   -0.133149E-05    0.233952E+03  0.569129E-08 0.100000E-04    0.902494E+00
  42   -0.218508E-05    0.227515E+03  0.960411E-08 0.100000E-04    0.898949E+00
  43   -0.370611E-08    0.217083E+03  0.170723E-10 0.109000E-04    0.678522E-01
  44   -0.261535E-05    0.214884E+03  0.121710E-07 0.100000E-04    0.902083E+00
  45    0.735281E-06    0.213257E+03 -0.344786E-08 0.100000E-04    0.886643E+00
  46    0.170872E-05    0.207638E+03 -0.822932E-08 0.100000E-04    0.929666E+00
  47   -0.133436E-05    0.203017E+03  0.657263E-08 0.100000E-04    0.935695E+00
  48   -0.735512E-06    0.195498E+03  0.376225E-08 0.100000E-04    0.768093E+00
  49    0.149666E-05    0.194830E+03 -0.768187E-08 0.100000E-04    0.901212E+00
  50    0.215548E-05    0.191347E+03 -0.112648E-07 0.100000E-04    0.902137E+00
  51    0.262170E-06    0.182928E+03 -0.143318E-08 0.100000E-04    0.986336E+00
  52   -0.599362E-06    0.174304E+03  0.343861E-08 0.100000E-04    0.903807E+00
  53    0.522064E-06    0.172312E+03 -0.302975E-08 0.100000E-04    0.981799E+00
  54   -0.520539E-06    0.168209E+03  0.309459E-08 0.100000E-04    0.873829E+00
  55    0.150196E-05    0.163255E+03 -0.920010E-08 0.100000E-04    0.937821E+00
  56   -0.169927E-05    0.156887E+03  0.108312E-07 0.100000E-04    0.949801E+00
  57    0.454381E-06    0.154894E+03 -0.293350E-08 0.100000E-04    0.986966E+00
  58   -0.149903E-05    0.152267E+03  0.984475E-08 0.100000E-04    0.928155E+00
  59    0.444597E-06    0.146703E+03 -0.303059E-08 0.100000E-04    0.865315E+00
  60    0.982373E-07    0.143377E+03 -0.685169E-09 0.100000E-04    0.961054E+00
  61   -0.119583E-05    0.138058E+03  0.866178E-08 0.100000E-04    0.888274E+00
  62    0.841938E-06    0.135871E+03 -0.619658E-08 0.100000E-04    0.849655E+00
  63   -0.267089E-05    0.130311E+03  0.204963E-07 0.100000E-04    0.894328E+00
  64    0.780953E-07    0.128822E+03 -0.606227E-09 0.100000E-04    0.732954E+00
  65   -0.170072E-05    0.126878E+03  0.134044E-07 0.100000E-04    0.915815E+00
  66    0.101265E-05    0.124145E+03 -0.815699E-08 0.100000E-04    0.918597E+00
  67   -0.245952E-05    0.119997E+03  0.204965E-07 0.100000E-04    0.913944E+00
  68    0.206837E-06    0.118166E+03 -0.175038E-08 0.100000E-04    0.789935E+00
  69   -0.850286E-07    0.116873E+03  0.727530E-09 0.100000E-04    0.979799E+00
  70    0.201278E-05    0.110352E+03 -0.182397E-07 0.100000E-04    0.889240E+00
  71   -0.833096E-06    0.106856E+03  0.779642E-08 0.100000E-04    0.908026E+00
  72   -0.825463E-06    0.104421E+03  0.790517E-08 0.100000E-04    0.876865E+00
  73    0.160472E-06    0.102840E+03 -0.156040E-08 0.100000E-04    0.940677E+00
  74    0.105385E-05    0.995333E+02 -0.105879E-07 0.100000E-04    0.943615E+00
  75    0.541677E-07    0.960964E+02 -0.563681E-09 0.100000E-04    0.417785E+00
  76    0.464283E-06    0.941180E+02 -0.493299E-08 0.100000E-04    0.862888E+00
  77    0.306457E-05    0.920018E+02 -0.333099E-07 0.100000E-04    0.968591E+00
  78   -0.537400E-06    0.912074E+02  0.589206E-08 0.100000E-04    0.982383E+00
  79   -0.332969E-06    0.884485E+02  0.376455E-08 0.100000E-04    0.770142E+00
  80    0.400923E-06    0.855874E+02 -0.468437E-08 0.100000E-04    0.735239E+00
  81    0.137415E-05    0.808250E+02 -0.170016E-07 0.100000E-04    0.865596E+00
  82    0.143041E-05    0.804679E+02 -0.177761E-07 0.100000E-04    0.867818E+00
  83    0.620046E-06    0.779576E+02 -0.795364E-08 0.100000E-04    0.657153E+00
  84   -0.632562E-06    0.733007E+02  0.862969E-08 0.100000E-04    0.835318E+00
  85   -0.416197E-05    0.725925E+02  0.573334E-07 0.100000E-04    0.954271E+00
  86    0.809396E-08    0.679284E+02 -0.119154E-09 0.109000E-04    0.624176E-01
  87   -0.162684E-05    0.647781E+02  0.251141E-07 0.100000E-04    0.924752E+00
  88    0.344219E-05    0.613844E+02 -0.560760E-07 0.100000E-04    0.972747E+00
  89   -0.357228E-05    0.598491E+02  0.596882E-07 0.100000E-04    0.943597E+00
  90    0.872248E-07    0.593919E+02 -0.146863E-08 0.109000E-04    0.159354E+00
  91   -0.320075E-05    0.581441E+02  0.550486E-07 0.100000E-04    0.892678E+00
  92   -0.370309E-05    0.558681E+02  0.662827E-07 0.100000E-04    0.842074E+00
  93   -0.394735E-05    0.524589E+02  0.752465E-07 0.100000E-04    0.903671E+00
  94   -0.656497E-06    0.520462E+02  0.126137E-07 0.100000E-04    0.856584E+00
  95   -0.397113E-05    0.501950E+02  0.791140E-07 0.100000E-04    0.946303E+00
  96   -0.244197E-05    0.462084E+02  0.528468E-07 0.100000E-04    0.944680E+00
  97   -0.383690E-05    0.433258E+02  0.885591E-07 0.100000E-04    0.875585E+00
  98   -0.162752E-06    0.409007E+02  0.397920E-08 0.100000E-04    0.646956E+00
  99   -0.425737E-05    0.378718E+02  0.112415E-06 0.100000E-04    0.967682E+00
 100   -0.172447E-05    0.362258E+02  0.476034E-07 0.100000E-04    0.976465E+00
 101    0.147104E-04    0.323048E+02 -0.455362E-06 0.100000E-04    0.904654E+00
 102    0.186180E-05    0.288773E+02 -0.644727E-07 0.100000E-04    0.866468E+00
 103   -0.168273E-05    0.284503E+02  0.591465E-07 0.100000E-04    0.802785E+00
 104   -0.346988E-05    0.262901E+02  0.131985E-06 0.100000E-04    0.853054E+00
 105   -0.682614E-05    0.233216E+02  0.292697E-06 0.100000E-04    0.914933E+00
 106    0.685017E-05    0.213146E+02 -0.321384E-06 0.100000E-04    0.970262E+00
 107   -0.308983E-04    0.198580E+02  0.155596E-05 0.100000E-04    0.898240E+00
 108   -0.313106E-04    0.164750E+02  0.190050E-05 0.100000E-04    0.903829E+00
 109   -0.918896E-05    0.139005E+02  0.661051E-06 0.100000E-04    0.972757E+00
 110    0.850867E-02    0.122381E+02 -0.167710E-04 0.167710E-04    0.656590E-01
 111    0.183654E-05    0.100910E+02 -0.181997E-06 0.100000E-04    0.907009E+00
 112    0.352389E-01    0.895661E+01 -0.100000E-04 0.100000E-04    0.815948E+00
 113   -0.900462E-01    0.574269E+01  0.267915E-04 0.267915E-04    0.402799E+00
 114   -0.912479E+00    0.319269E+01 -0.115101E-04 0.115101E-04    0.725485E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2679153915E-04    0.2656356794    

 Beginning of optimization cycle  536.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999989831
 potential> RMS force:                                               0.0859451899   |gradient|=.9176435183    
 Eigenvalues of the Hessian matrix:
   746.43945    674.16603    630.53840    600.85765    586.42598    578.89247 
   565.14323    487.43246    460.70888    459.82816    441.69176    429.26757 
   421.97461    408.06561    396.38366    387.58298    369.98082    360.54508 
   349.39200    335.29112    329.23566    321.85866    319.07902    309.51485 
   300.86245    290.56485    278.88358    272.69980    268.51161    264.93249 
   263.75882    253.23972    241.53641    240.76326    233.95280    227.51530 
   217.08429    214.88438    213.25736    207.63841    203.01672    195.49655 
   194.83072    191.34724    182.92857    174.30459    172.31298    168.20907 
   163.25443    156.88704    154.89411    152.26638    146.70258    143.37608 
   138.05908    135.87141    130.31049    128.82239    126.87804    124.14352 
   119.99701    118.16638    116.87223    110.35204    106.85550    104.42126 
   102.84052     99.53278     96.09626     94.11765     92.00128     91.20796 
    88.44805     85.58779     80.82523     80.46843     77.95762     73.30029 
    72.59179     67.92814     64.77765     61.38385     59.84890     59.39196 
    58.14385     55.86824     52.45857     52.04587     50.19587     46.20730 
    43.32591     40.90094     37.87164     36.22531     32.30413     28.87774 
    28.45030     26.29020     23.32192     21.31468     19.85802     16.47456 
    13.90070     12.23817     10.09105      8.95849      5.74276      3.19229 
overlap for current and previous eigenvector    109 is         0.9999999764
overlap for current and previous eigenvector    110 is         0.9999999840
overlap for current and previous eigenvector    111 is         0.9999999603
overlap for current and previous eigenvector    112 is         0.9999999188
overlap for current and previous eigenvector    113 is         0.9999999105
overlap for current and previous eigenvector    114 is         0.9999999592
J1,K1,R1,R2,RAT=   7   7    0.2280265270E-01     1.977187290        0.9771872902    
FOB,PFOB,DIAG,PSTEP=   -0.3374783753E-06   -0.3453533883E-06     746.4394468        0.4626699814E-09
J1,K1,R1,R2,RAT=   8   8    0.1148861453         1.885121098        0.8851138547    
FOB,PFOB,DIAG,PSTEP=   -0.4438898035E-06   -0.5015056452E-06     674.1660259        0.7438877216E-09
J1,K1,R1,R2,RAT=   9   9    0.1230733654         1.876920004        0.8769200038    
FOB,PFOB,DIAG,PSTEP=   -0.6417028924E-06   -0.7317638280E-06     630.5384048        0.1160541925E-08
J1,K1,R1,R2,RAT=  10  10     4.886047213        -2.886041483         1.886041483    
FOB,PFOB,DIAG,PSTEP=    0.2024847356E-07   -0.5210576555E-08     600.8576518        0.8671873631E-11
J1,K1,R1,R2,RAT=  11  11   -0.8869172466E-01     2.088696333        0.9113082753    
FOB,PFOB,DIAG,PSTEP=   -0.5336595963E-07   -0.4901843969E-07     586.4259809        0.8358825894E-10
J1,K1,R1,R2,RAT= 109 109    0.2184750969E-01     1.978129555        0.9781295551    
FOB,PFOB,DIAG,PSTEP=   -0.8988205437E-05   -0.9188963713E-05     13.90069574        0.6610510196E-06
J1,K1,R1,R2,RAT= 110 110     1.052096525         81.85961009        0.5209652498E-01
FOB,PFOB,DIAG,PSTEP=    0.8292726496E-02    0.8508665543E-02     12.23817351       -0.1677100111E-04
J1,K1,R1,R2,RAT= 111 111    0.7898042410E-01     1.921014401        0.9210144010    
FOB,PFOB,DIAG,PSTEP=    0.1691484737E-05    0.1836535461E-05     10.09105139       -0.1819969141E-06
J1,K1,R1,R2,RAT= 112 112    0.2405453994         786.4752514        0.7594546006    
FOB,PFOB,DIAG,PSTEP=    0.3521739407E-01    0.3523894332E-01     8.958493896       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.5680821204         1171.084251        0.4319178796    
FOB,PFOB,DIAG,PSTEP=   -0.9013361955E-01   -0.9004621598E-01     5.742756225        0.2679153915E-04
J1,K1,R1,R2,RAT= 114 114    0.2832797232        -49667.66361        0.7167202768    
FOB,PFOB,DIAG,PSTEP=   -0.9124891895       -0.9124787808         3.192293422       -0.1151008982E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00003     -0.00003 
    -0.00001      0.00829      0.00000      0.03522     -0.09013     -0.91249 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3844692584
 Log product of positive Hessian eigenvalues =          519.0681527791
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1922934219
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=        0.0000000010
 Unscaled step for mode   10=       -0.0000000000
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000021
 Unscaled step for mode   13=        0.0000000000
 Unscaled step for mode   14=       -0.0000000018
 Unscaled step for mode   15=        0.0000000007
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000000
 Unscaled step for mode   20=        0.0000000016
 Unscaled step for mode   21=        0.0000000008
 Unscaled step for mode   22=        0.0000000015
 Unscaled step for mode   23=       -0.0000000026
 Unscaled step for mode   24=        0.0000000007
 Unscaled step for mode   25=        0.0000000005
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000021
 Unscaled step for mode   28=        0.0000000008
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000057
 Unscaled step for mode   31=        0.0000000038
 Unscaled step for mode   32=        0.0000000062
 Unscaled step for mode   33=       -0.0000000007
 Unscaled step for mode   34=        0.0000000008
 Unscaled step for mode   35=       -0.0000000033
 Unscaled step for mode   36=       -0.0000000082
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=       -0.0000000008
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000076
 Unscaled step for mode   41=        0.0000000051
 Unscaled step for mode   42=        0.0000000086
 Unscaled step for mode   43=       -0.0000000002
 Unscaled step for mode   44=        0.0000000110
 Unscaled step for mode   45=       -0.0000000030
 Unscaled step for mode   46=       -0.0000000077
 Unscaled step for mode   47=        0.0000000062
 Unscaled step for mode   48=        0.0000000027
 Unscaled step for mode   49=       -0.0000000069
 Unscaled step for mode   50=       -0.0000000102
 Unscaled step for mode   51=       -0.0000000015
 Unscaled step for mode   52=        0.0000000031
 Unscaled step for mode   53=       -0.0000000031
 Unscaled step for mode   54=        0.0000000027
 Unscaled step for mode   55=       -0.0000000087
 Unscaled step for mode   56=        0.0000000103
 Unscaled step for mode   57=       -0.0000000029
 Unscaled step for mode   58=        0.0000000092
 Unscaled step for mode   59=       -0.0000000026
 Unscaled step for mode   60=       -0.0000000007
 Unscaled step for mode   61=        0.0000000077
 Unscaled step for mode   62=       -0.0000000052
 Unscaled step for mode   63=        0.0000000183
 Unscaled step for mode   64=       -0.0000000004
 Unscaled step for mode   65=        0.0000000123
 Unscaled step for mode   66=       -0.0000000075
 Unscaled step for mode   67=        0.0000000188
 Unscaled step for mode   68=       -0.0000000013
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=       -0.0000000162
 Unscaled step for mode   71=        0.0000000071
 Unscaled step for mode   72=        0.0000000069
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000112
 Unscaled step for mode   75=        0.0000000002
 Unscaled step for mode   76=       -0.0000000042
 Unscaled step for mode   77=        0.0000000325
 Unscaled step for mode   78=        0.0000000059
 Unscaled step for mode   79=        0.0000000027
 Unscaled step for mode   80=       -0.0000000031
 Unscaled step for mode   81=       -0.0000000146
 Unscaled step for mode   82=       -0.0000000153
 Unscaled step for mode   83=       -0.0000000099
 Unscaled step for mode   84=       -0.0000000071
 Unscaled step for mode   85=       -0.0000000551
 Unscaled step for mode   86=        0.0000000017
 Unscaled step for mode   87=        0.0000000233
 Unscaled step for mode   88=       -0.0000000579
 Unscaled step for mode   89=        0.0000000567
 Unscaled step for mode   90=        0.0000000062
 Unscaled step for mode   91=        0.0000000489
 Unscaled step for mode   92=        0.0000000548
 Unscaled step for mode   93=        0.0000000679
 Unscaled step for mode   94=        0.0000000107
 Unscaled step for mode   95=        0.0000000755
 Unscaled step for mode   96=        0.0000000503
 Unscaled step for mode   97=        0.0000000770
 Unscaled step for mode   98=        0.0000000066
 Unscaled step for mode   99=        0.0000001096
 Unscaled step for mode  100=        0.0000000465
 Unscaled step for mode  101=       -0.0000004122
 Unscaled step for mode  102=       -0.0000000725
 Unscaled step for mode  103=        0.0000000452
 Unscaled step for mode  104=        0.0000001485
 Unscaled step for mode  105=        0.0000002677
 Unscaled step for mode  106=       -0.0000003127
 Unscaled step for mode  107=        0.0000013986
 Unscaled step for mode  108=        0.0000017181
 Unscaled step for mode  109=        0.0000006466
 Unscaled step for mode  110=       -0.0006776111
 Unscaled step for mode  111=       -0.0000001676
 Unscaled step for mode  112=       -0.0039311128
 Unscaled step for mode  113=        0.0156913203
 Unscaled step for mode  114=       -0.2656669020
 Largest modulus ratio of non-zero e/values=           233.8254503    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.296963E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.158207E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.117397E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.103918E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.443947E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.204825E-14    0.974272E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.337478E-06    0.746439E+03  0.452118E-09 0.100000E-04    0.977187E+00
   8   -0.443890E-06    0.674166E+03  0.658428E-09 0.100000E-04    0.885114E+00
   9   -0.641703E-06    0.630538E+03  0.101771E-08 0.100000E-04    0.876920E+00
  10    0.202485E-07    0.600858E+03 -0.336993E-10 0.100000E-04    0.188604E+01
  11   -0.533660E-07    0.586426E+03  0.910020E-10 0.100000E-04    0.911308E+00
  12   -0.120988E-05    0.578892E+03  0.208999E-08 0.100000E-04    0.914442E+00
  13   -0.220932E-07    0.565143E+03  0.390930E-10 0.100000E-04    0.688956E+00
  14    0.880683E-06    0.487432E+03 -0.180678E-08 0.100000E-04    0.968822E+00
  15   -0.309178E-06    0.460709E+03  0.671091E-09 0.100000E-04    0.882607E+00
  16   -0.159488E-06    0.459828E+03  0.346843E-09 0.100000E-04    0.882141E+00
  17   -0.675334E-06    0.441692E+03  0.152897E-08 0.100000E-04    0.907999E+00
  18   -0.390183E-06    0.429268E+03  0.908950E-09 0.100000E-04    0.913753E+00
  19   -0.283342E-08    0.421975E+03  0.671467E-11 0.109000E-04    0.915216E-01
  20   -0.640423E-06    0.408066E+03  0.156941E-08 0.100000E-04    0.970861E+00
  21   -0.319078E-06    0.396384E+03  0.804972E-09 0.100000E-04    0.854881E+00
  22   -0.596153E-06    0.387583E+03  0.153813E-08 0.100000E-04    0.891880E+00
  23    0.949920E-06    0.369981E+03 -0.256748E-08 0.100000E-04    0.908691E+00
  24   -0.247421E-06    0.360545E+03  0.686241E-09 0.100000E-04    0.804596E+00
  25   -0.173066E-06    0.349392E+03  0.495333E-09 0.100000E-04    0.844955E+00
  26   -0.608307E-07    0.335291E+03  0.181426E-09 0.100000E-04    0.858039E+00
  27    0.684677E-06    0.329236E+03 -0.207960E-08 0.100000E-04    0.998540E+00
  28   -0.257167E-06    0.321859E+03  0.799005E-09 0.100000E-04    0.817476E+00
  29   -0.147971E-06    0.319079E+03  0.463743E-09 0.100000E-04    0.589917E+00
  30   -0.175153E-05    0.309515E+03  0.565895E-08 0.100000E-04    0.901534E+00
  31   -0.113108E-05    0.300862E+03  0.375947E-08 0.100000E-04    0.868567E+00
  32   -0.179168E-05    0.290565E+03  0.616621E-08 0.100000E-04    0.946053E+00
  33    0.192531E-06    0.278884E+03 -0.690364E-09 0.100000E-04    0.677033E+00
  34   -0.222811E-06    0.272700E+03  0.817056E-09 0.100000E-04    0.858137E+00
  35    0.881675E-06    0.268512E+03 -0.328356E-08 0.100000E-04    0.840286E+00
  36    0.216900E-05    0.264932E+03 -0.818699E-08 0.100000E-04    0.952931E+00
  37   -0.456391E-06    0.263759E+03  0.173033E-08 0.100000E-04    0.920839E+00
  38    0.206220E-06    0.253240E+03 -0.814329E-09 0.100000E-04    0.699731E+00
  39   -0.435077E-06    0.241536E+03  0.180129E-08 0.100000E-04    0.953622E+00
  40   -0.183479E-05    0.240763E+03  0.762073E-08 0.100000E-04    0.940757E+00
  41   -0.120194E-05    0.233953E+03  0.513755E-08 0.100000E-04    0.902699E+00
  42   -0.196215E-05    0.227515E+03  0.862426E-08 0.100000E-04    0.897975E+00
  43    0.439270E-07    0.217084E+03 -0.202350E-09 0.100000E-04    0.985253E+01
  44   -0.235889E-05    0.214884E+03  0.109775E-07 0.100000E-04    0.901942E+00
  45    0.648586E-06    0.213257E+03 -0.304133E-08 0.100000E-04    0.882090E+00
  46    0.159642E-05    0.207638E+03 -0.768848E-08 0.100000E-04    0.934275E+00
  47   -0.125624E-05    0.203017E+03  0.618789E-08 0.100000E-04    0.941461E+00
  48   -0.522888E-06    0.195497E+03  0.267467E-08 0.100000E-04    0.710916E+00
  49    0.135122E-05    0.194831E+03 -0.693535E-08 0.100000E-04    0.902819E+00
  50    0.194797E-05    0.191347E+03 -0.101803E-07 0.100000E-04    0.903728E+00
  51    0.265471E-06    0.182929E+03 -0.145123E-08 0.100000E-04    0.987408E+00
  52   -0.540011E-06    0.174305E+03  0.309809E-08 0.100000E-04    0.900965E+00
  53    0.536824E-06    0.172313E+03 -0.311540E-08 0.100000E-04    0.971729E+00
  54   -0.454829E-06    0.168209E+03  0.270395E-08 0.100000E-04    0.873765E+00
  55    0.141719E-05    0.163254E+03 -0.868084E-08 0.100000E-04    0.943555E+00
  56   -0.161965E-05    0.156887E+03  0.103237E-07 0.100000E-04    0.953146E+00
  57    0.449530E-06    0.154894E+03 -0.290218E-08 0.100000E-04    0.989322E+00
  58   -0.139851E-05    0.152266E+03  0.918461E-08 0.100000E-04    0.932944E+00
  59    0.377352E-06    0.146703E+03 -0.257222E-08 0.100000E-04    0.848749E+00
  60    0.986464E-07    0.143376E+03 -0.688025E-09 0.100000E-04    0.995836E+00
  61   -0.105808E-05    0.138059E+03  0.766399E-08 0.100000E-04    0.884801E+00
  62    0.701909E-06    0.135871E+03 -0.516598E-08 0.100000E-04    0.833682E+00
  63   -0.238521E-05    0.130310E+03  0.183040E-07 0.100000E-04    0.893040E+00
  64    0.509212E-07    0.128822E+03 -0.395282E-09 0.100000E-04    0.652034E+00
  65   -0.155932E-05    0.126878E+03  0.122899E-07 0.100000E-04    0.916855E+00
  66    0.934363E-06    0.124144E+03 -0.752648E-08 0.100000E-04    0.922693E+00
  67   -0.225128E-05    0.119997E+03  0.187611E-07 0.100000E-04    0.915329E+00
  68    0.152563E-06    0.118166E+03 -0.129109E-08 0.100000E-04    0.737602E+00
  69   -0.836275E-07    0.116872E+03  0.715546E-09 0.100000E-04    0.983522E+00
  70    0.178790E-05    0.110352E+03 -0.162017E-07 0.100000E-04    0.888269E+00
  71   -0.756113E-06    0.106855E+03  0.707604E-08 0.100000E-04    0.907594E+00
  72   -0.716208E-06    0.104421E+03  0.685884E-08 0.100000E-04    0.867633E+00
  73    0.150220E-06    0.102841E+03 -0.146071E-08 0.100000E-04    0.936105E+00
  74    0.111867E-05    0.995328E+02 -0.112392E-07 0.100000E-04    0.938495E+00
  75   -0.171403E-07    0.960963E+02  0.178366E-09 0.100000E-04    0.316429E+00
  76    0.398588E-06    0.941176E+02 -0.423500E-08 0.100000E-04    0.858502E+00
  77   -0.299241E-05    0.920013E+02  0.325257E-07 0.100000E-04    0.976452E+00
  78   -0.540726E-06    0.912080E+02  0.592850E-08 0.100000E-04    0.993810E+00
  79   -0.236041E-06    0.884480E+02  0.266870E-08 0.100000E-04    0.708897E+00
  80    0.266110E-06    0.855878E+02 -0.310920E-08 0.100000E-04    0.663735E+00
  81    0.117612E-05    0.808252E+02 -0.145514E-07 0.100000E-04    0.855882E+00
  82    0.123055E-05    0.804684E+02 -0.152923E-07 0.100000E-04    0.860266E+00
  83    0.770593E-06    0.779576E+02 -0.988477E-08 0.100000E-04    0.757201E+00
  84    0.518134E-06    0.733003E+02 -0.706865E-08 0.100000E-04    0.819103E+00
  85    0.400285E-05    0.725918E+02 -0.551418E-07 0.100000E-04    0.961766E+00
  86   -0.113405E-06    0.679281E+02  0.166948E-08 0.100000E-04    0.120111E+02
  87   -0.151148E-05    0.647777E+02  0.233334E-07 0.100000E-04    0.929090E+00
  88    0.355236E-05    0.613839E+02 -0.578713E-07 0.100000E-04    0.967994E+00
  89   -0.339118E-05    0.598489E+02  0.566624E-07 0.100000E-04    0.949304E+00
  90   -0.366613E-06    0.593920E+02  0.617278E-08 0.100000E-04    0.220308E+01
  91   -0.284425E-05    0.581439E+02  0.489175E-07 0.100000E-04    0.888620E+00
  92   -0.306002E-05    0.558682E+02  0.547720E-07 0.100000E-04    0.826336E+00
  93   -0.356426E-05    0.524586E+02  0.679443E-07 0.100000E-04    0.902951E+00
  94   -0.554493E-06    0.520459E+02  0.106539E-07 0.100000E-04    0.844623E+00
  95   -0.378806E-05    0.501959E+02  0.754655E-07 0.100000E-04    0.953867E+00
  96   -0.232266E-05    0.462073E+02  0.502660E-07 0.100000E-04    0.951141E+00
  97   -0.333537E-05    0.433259E+02  0.769833E-07 0.100000E-04    0.869286E+00
  98   -0.267936E-06    0.409009E+02  0.655086E-08 0.100000E-04    0.353720E+00
  99   -0.415151E-05    0.378716E+02  0.109621E-06 0.100000E-04    0.975134E+00
 100   -0.168583E-05    0.362253E+02  0.465374E-07 0.100000E-04    0.977592E+00
 101    0.133147E-04    0.323041E+02 -0.412168E-06 0.100000E-04    0.905122E+00
 102    0.209308E-05    0.288777E+02 -0.724807E-07 0.100000E-04    0.875777E+00
 103   -0.128611E-05    0.284503E+02  0.452056E-07 0.100000E-04    0.764299E+00
 104   -0.390496E-05    0.262902E+02  0.148533E-06 0.100000E-04    0.874614E+00
 105   -0.624444E-05    0.233219E+02  0.267750E-06 0.100000E-04    0.914754E+00
 106    0.666577E-05    0.213147E+02 -0.312731E-06 0.100000E-04    0.973075E+00
 107   -0.277734E-04    0.198580E+02  0.139860E-05 0.100000E-04    0.898866E+00
 108   -0.283051E-04    0.164746E+02  0.171811E-05 0.100000E-04    0.904005E+00
 109   -0.898821E-05    0.139007E+02  0.646601E-06 0.100000E-04    0.978130E+00
 110    0.829273E-02    0.122382E+02 -0.182804E-04 0.182804E-04    0.520965E-01
 111    0.169148E-05    0.100911E+02 -0.167622E-06 0.100000E-04    0.921014E+00
 112    0.352174E-01    0.895849E+01 -0.100000E-04 0.100000E-04    0.759455E+00
 113   -0.901336E-01    0.574276E+01  0.241365E-04 0.241365E-04    0.431918E+00
 114   -0.912489E+00    0.319229E+01 -0.103695E-04 0.103695E-04    0.716720E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2413652176E-04    0.2656669020    

 Beginning of optimization cycle  537.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999921961
 potential> RMS force:                                               0.0859464891   |gradient|=.9176573900    
 Eigenvalues of the Hessian matrix:
   746.44266    674.16371    630.54013    600.85610    586.42469    578.89214 
   565.13966    487.43297    460.70731    459.82708    441.69134    429.27009 
   421.97324    408.06352    396.38284    387.58109    369.98165    360.54567 
   349.39150    335.29089    329.23676    321.85792    319.08022    309.51243 
   300.86192    290.56576    278.88566    272.70042    268.51223    264.93283 
   263.76050    253.23971    241.53735    240.76329    233.95396    227.51541 
   217.08531    214.88443    213.25765    207.63907    203.01654    195.49550 
   194.83087    191.34729    182.92901    174.30554    172.31349    168.20910 
   163.25379    156.88691    154.89423    152.26619    146.70204    143.37552 
   138.05963    135.87147    130.31009    128.82273    126.87838    124.14240 
   119.99726    118.16627    116.87154    110.35218    106.85479    104.42192 
   102.84086     99.53224     96.09615     94.11736     92.00081     91.20847 
    88.44765     85.58816     80.82543     80.46887     77.95773     73.29992 
    72.59113     67.92795     64.77729     61.38332     59.84875     59.39205 
    58.14366     55.86851     52.45825     52.04564     50.19668     46.20626 
    43.32588     40.90124     37.87148     36.22488     32.30350     28.87815 
    28.45033     26.29030     23.32232     21.31474     19.85805     16.47412 
    13.90086     12.23829     10.09109      8.96028      5.74281      3.19192 
overlap for current and previous eigenvector    109 is         0.9999999780
overlap for current and previous eigenvector    110 is         0.9999999807
overlap for current and previous eigenvector    111 is         0.9999999626
overlap for current and previous eigenvector    112 is         0.9999999296
overlap for current and previous eigenvector    113 is         0.9999999247
overlap for current and previous eigenvector    114 is         0.9999999680
J1,K1,R1,R2,RAT=   7   7    0.1424416928E-01     1.985747219        0.9857472185    
FOB,PFOB,DIAG,PSTEP=   -0.3326712555E-06   -0.3374783753E-06     746.4426610        0.4521175519E-09
J1,K1,R1,R2,RAT=   8   8    0.1186990541         1.881307815        0.8813009459    
FOB,PFOB,DIAG,PSTEP=   -0.3912006846E-06   -0.4438898035E-06     674.1637105        0.6584280227E-09
J1,K1,R1,R2,RAT=   9   9    0.1313805056         1.868614016        0.8686140162    
FOB,PFOB,DIAG,PSTEP=   -0.5573954110E-06   -0.6417028924E-06     630.5401319        0.1017706277E-08
J1,K1,R1,R2,RAT=  10  10    -1.191030901         3.191036062        0.1910309010    
FOB,PFOB,DIAG,PSTEP=    0.4436496903E-07    0.2024847356E-07     600.8561014       -0.3369928551E-10
J1,K1,R1,R2,RAT=  11  11   -0.9691643349E-01     2.096920836        0.9030835665    
FOB,PFOB,DIAG,PSTEP=   -0.5853798672E-07   -0.5336595963E-07     586.4246900        0.9100203840E-10
J1,K1,R1,R2,RAT= 109 109    0.1625017186E-01     1.983725955        0.9837259548    
FOB,PFOB,DIAG,PSTEP=   -0.8842143811E-05   -0.8988205437E-05     13.90086167        0.6466011204E-06
J1,K1,R1,R2,RAT= 110 110     1.040950035         73.09367930        0.4095003465E-01
FOB,PFOB,DIAG,PSTEP=    0.8059844400E-02    0.8292726496E-02     12.23828976       -0.1828039121E-04
J1,K1,R1,R2,RAT= 111 111    0.6245693842E-01     1.937536064        0.9375360643    
FOB,PFOB,DIAG,PSTEP=    0.1585839409E-05    0.1691484737E-05     10.09108670       -0.1676222497E-06
J1,K1,R1,R2,RAT= 112 112    0.2909860711         785.7869279        0.7090139289    
FOB,PFOB,DIAG,PSTEP=    0.3519132090E-01    0.3521739407E-01     8.960280768       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.5320018765         1301.054727        0.4679981235    
FOB,PFOB,DIAG,PSTEP=   -0.9020736106E-01   -0.9013361955E-01     5.742806411        0.2413652176E-04
J1,K1,R1,R2,RAT= 114 114    0.2947563203        -55138.16803        0.7052436797    
FOB,PFOB,DIAG,PSTEP=   -0.9124989455       -0.9124891895         3.191919860       -0.1036945029E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00003 
    -0.00001      0.00806      0.00000      0.03519     -0.09021     -0.91250 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3844366585
 Log product of positive Hessian eigenvalues =          519.0682126413
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1919198603
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000009
 Unscaled step for mode   10=       -0.0000000001
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=        0.0000000000
 Unscaled step for mode   14=       -0.0000000018
 Unscaled step for mode   15=        0.0000000006
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000008
 Unscaled step for mode   19=       -0.0000000001
 Unscaled step for mode   20=        0.0000000015
 Unscaled step for mode   21=        0.0000000007
 Unscaled step for mode   22=        0.0000000014
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000005
 Unscaled step for mode   25=        0.0000000004
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000021
 Unscaled step for mode   28=        0.0000000006
 Unscaled step for mode   29=        0.0000000006
 Unscaled step for mode   30=       -0.0000000051
 Unscaled step for mode   31=        0.0000000032
 Unscaled step for mode   32=        0.0000000059
 Unscaled step for mode   33=       -0.0000000009
 Unscaled step for mode   34=        0.0000000009
 Unscaled step for mode   35=       -0.0000000027
 Unscaled step for mode   36=       -0.0000000079
 Unscaled step for mode   37=        0.0000000016
 Unscaled step for mode   38=       -0.0000000010
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000072
 Unscaled step for mode   41=        0.0000000046
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=       -0.0000000004
 Unscaled step for mode   44=        0.0000000099
 Unscaled step for mode   45=       -0.0000000027
 Unscaled step for mode   46=       -0.0000000072
 Unscaled step for mode   47=        0.0000000059
 Unscaled step for mode   48=        0.0000000016
 Unscaled step for mode   49=       -0.0000000063
 Unscaled step for mode   50=       -0.0000000092
 Unscaled step for mode   51=       -0.0000000015
 Unscaled step for mode   52=        0.0000000028
 Unscaled step for mode   53=       -0.0000000032
 Unscaled step for mode   54=        0.0000000024
 Unscaled step for mode   55=       -0.0000000082
 Unscaled step for mode   56=        0.0000000099
 Unscaled step for mode   57=       -0.0000000029
 Unscaled step for mode   58=        0.0000000086
 Unscaled step for mode   59=       -0.0000000021
 Unscaled step for mode   60=       -0.0000000007
 Unscaled step for mode   61=        0.0000000067
 Unscaled step for mode   62=       -0.0000000042
 Unscaled step for mode   63=        0.0000000163
 Unscaled step for mode   64=       -0.0000000002
 Unscaled step for mode   65=        0.0000000113
 Unscaled step for mode   66=       -0.0000000070
 Unscaled step for mode   67=        0.0000000172
 Unscaled step for mode   68=       -0.0000000008
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=        0.0000000144
 Unscaled step for mode   71=       -0.0000000064
 Unscaled step for mode   72=        0.0000000059
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000120
 Unscaled step for mode   75=        0.0000000009
 Unscaled step for mode   76=       -0.0000000036
 Unscaled step for mode   77=       -0.0000000320
 Unscaled step for mode   78=        0.0000000059
 Unscaled step for mode   79=        0.0000000016
 Unscaled step for mode   80=       -0.0000000016
 Unscaled step for mode   81=       -0.0000000123
 Unscaled step for mode   82=       -0.0000000130
 Unscaled step for mode   83=       -0.0000000117
 Unscaled step for mode   84=        0.0000000056
 Unscaled step for mode   85=        0.0000000535
 Unscaled step for mode   86=       -0.0000000035
 Unscaled step for mode   87=        0.0000000218
 Unscaled step for mode   88=        0.0000000600
 Unscaled step for mode   89=        0.0000000541
 Unscaled step for mode   90=        0.0000000138
 Unscaled step for mode   91=       -0.0000000432
 Unscaled step for mode   92=       -0.0000000441
 Unscaled step for mode   93=       -0.0000000613
 Unscaled step for mode   94=       -0.0000000088
 Unscaled step for mode   95=       -0.0000000726
 Unscaled step for mode   96=       -0.0000000482
 Unscaled step for mode   97=        0.0000000663
 Unscaled step for mode   98=        0.0000000092
 Unscaled step for mode   99=        0.0000001077
 Unscaled step for mode  100=        0.0000000455
 Unscaled step for mode  101=       -0.0000003733
 Unscaled step for mode  102=       -0.0000000810
 Unscaled step for mode  103=        0.0000000317
 Unscaled step for mode  104=        0.0000001649
 Unscaled step for mode  105=        0.0000002448
 Unscaled step for mode  106=       -0.0000003051
 Unscaled step for mode  107=        0.0000012583
 Unscaled step for mode  108=        0.0000015535
 Unscaled step for mode  109=        0.0000006361
 Unscaled step for mode  110=       -0.0006585758
 Unscaled step for mode  111=       -0.0000001572
 Unscaled step for mode  112=       -0.0039274191
 Unscaled step for mode  113=        0.0157040144
 Unscaled step for mode  114=       -0.2656963599
 Largest modulus ratio of non-zero e/values=           233.8538227    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.254354E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.165975E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.771030E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.641848E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.645914E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.264734E-14    0.974273E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.332671E-06    0.746443E+03  0.445676E-09 0.100000E-04    0.985747E+00
   8   -0.391201E-06    0.674164E+03  0.580276E-09 0.100000E-04    0.881301E+00
   9   -0.557395E-06    0.630540E+03  0.883997E-09 0.100000E-04    0.868614E+00
  10    0.443650E-07    0.600856E+03 -0.738363E-10 0.109000E-04    0.191031E+00
  11   -0.585380E-07    0.586425E+03  0.998218E-10 0.100000E-04    0.903084E+00
  12   -0.110753E-05    0.578892E+03  0.191320E-08 0.100000E-04    0.915409E+00
  13   -0.140955E-07    0.565140E+03  0.249416E-10 0.100000E-04    0.637999E+00
  14    0.860636E-06    0.487433E+03 -0.176565E-08 0.100000E-04    0.977235E+00
  15   -0.269501E-06    0.460707E+03  0.584972E-09 0.100000E-04    0.871670E+00
  16   -0.140415E-06    0.459827E+03  0.305365E-09 0.100000E-04    0.880411E+00
  17   -0.613864E-06    0.441691E+03  0.138980E-08 0.100000E-04    0.908979E+00
  18   -0.355392E-06    0.429270E+03  0.827898E-09 0.100000E-04    0.910822E+00
  19    0.244666E-07    0.421973E+03 -0.579814E-10 0.100000E-04    0.663503E+01
  20   -0.625616E-06    0.408064E+03  0.153313E-08 0.100000E-04    0.976879E+00
  21   -0.267589E-06    0.396383E+03  0.675077E-09 0.100000E-04    0.838632E+00
  22   -0.528614E-06    0.387581E+03  0.136388E-08 0.100000E-04    0.886709E+00
  23    0.863286E-06    0.369982E+03 -0.233332E-08 0.100000E-04    0.908794E+00
  24   -0.189382E-06    0.360546E+03  0.525266E-09 0.100000E-04    0.765423E+00
  25   -0.145501E-06    0.349391E+03  0.416440E-09 0.100000E-04    0.840725E+00
  26   -0.519890E-07    0.335291E+03  0.155056E-09 0.100000E-04    0.854651E+00
  27    0.689461E-06    0.329237E+03 -0.209412E-08 0.100000E-04    0.993014E+00
  28   -0.202560E-06    0.321858E+03  0.629347E-09 0.100000E-04    0.787660E+00
  29   -0.190901E-06    0.319080E+03  0.598284E-09 0.100000E-04    0.709877E+00
  30    0.157979E-05    0.309512E+03 -0.510414E-08 0.100000E-04    0.901951E+00
  31   -0.975020E-06    0.300862E+03  0.324076E-08 0.100000E-04    0.862024E+00
  32   -0.170456E-05    0.290566E+03  0.586634E-08 0.100000E-04    0.951365E+00
  33    0.238524E-06    0.278886E+03 -0.855275E-09 0.100000E-04    0.761117E+00
  34   -0.250594E-06    0.272700E+03  0.918935E-09 0.100000E-04    0.875306E+00
  35    0.724560E-06    0.268512E+03 -0.269842E-08 0.100000E-04    0.821795E+00
  36    0.208159E-05    0.264933E+03 -0.785706E-08 0.100000E-04    0.959699E+00
  37   -0.420059E-06    0.263760E+03  0.159258E-08 0.100000E-04    0.920381E+00
  38    0.254881E-06    0.253240E+03 -0.100648E-08 0.100000E-04    0.764037E+00
  39   -0.418304E-06    0.241537E+03  0.173184E-08 0.100000E-04    0.961441E+00
  40   -0.173476E-05    0.240763E+03  0.720526E-08 0.100000E-04    0.945482E+00
  41   -0.108521E-05    0.233954E+03  0.463855E-08 0.100000E-04    0.902867E+00
  42   -0.175939E-05    0.227515E+03  0.773307E-08 0.100000E-04    0.896664E+00
  43    0.887900E-07    0.217085E+03 -0.409010E-09 0.109000E-04    0.213050E-01
  44   -0.212700E-05    0.214884E+03  0.989835E-08 0.100000E-04    0.901694E+00
  45    0.568244E-06    0.213258E+03 -0.266459E-08 0.100000E-04    0.876126E+00
  46    0.149976E-05    0.207639E+03 -0.722290E-08 0.100000E-04    0.939442E+00
  47   -0.119070E-05    0.203017E+03  0.586505E-08 0.100000E-04    0.947826E+00
  48   -0.317617E-06    0.195495E+03  0.162468E-08 0.100000E-04    0.607426E+00
  49    0.122273E-05    0.194831E+03 -0.627587E-08 0.100000E-04    0.904909E+00
  50    0.176444E-05    0.191347E+03 -0.922115E-08 0.100000E-04    0.905784E+00
  51    0.268567E-06    0.182929E+03 -0.146815E-08 0.100000E-04    0.988337E+00
  52   -0.484465E-06    0.174306E+03  0.277940E-08 0.100000E-04    0.897128E+00
  53    0.556969E-06    0.172313E+03 -0.323230E-08 0.100000E-04    0.962473E+00
  54   -0.397777E-06    0.168209E+03  0.236478E-08 0.100000E-04    0.874563E+00
  55    0.134608E-05    0.163254E+03 -0.824530E-08 0.100000E-04    0.949824E+00
  56   -0.154932E-05    0.156887E+03  0.987538E-08 0.100000E-04    0.956573E+00
  57    0.445830E-06    0.154894E+03 -0.287829E-08 0.100000E-04    0.991767E+00
  58   -0.131222E-05    0.152266E+03  0.861791E-08 0.100000E-04    0.938298E+00
  59    0.311417E-06    0.146702E+03 -0.212279E-08 0.100000E-04    0.825269E+00
  60    0.103291E-06    0.143376E+03 -0.720424E-09 0.100000E-04    0.952915E+00
  61   -0.931570E-06    0.138060E+03  0.674759E-08 0.100000E-04    0.880424E+00
  62    0.569412E-06    0.135871E+03 -0.419081E-08 0.100000E-04    0.811232E+00
  63   -0.212628E-05    0.130310E+03  0.163171E-07 0.100000E-04    0.891443E+00
  64    0.248327E-07    0.128823E+03 -0.192767E-09 0.100000E-04    0.487666E+00
  65   -0.143141E-05    0.126878E+03  0.112817E-07 0.100000E-04    0.917962E+00
  66    0.866639E-06    0.124142E+03 -0.698101E-08 0.100000E-04    0.927517E+00
  67   -0.206401E-05    0.119997E+03  0.172005E-07 0.100000E-04    0.916814E+00
  68    0.985072E-07    0.118166E+03 -0.833632E-09 0.100000E-04    0.645681E+00
  69   -0.826512E-07    0.116872E+03  0.707197E-09 0.100000E-04    0.988326E+00
  70   -0.158631E-05    0.110352E+03  0.143750E-07 0.100000E-04    0.887246E+00
  71    0.685674E-06    0.106855E+03 -0.641688E-08 0.100000E-04    0.906839E+00
  72   -0.612442E-06    0.104422E+03  0.586507E-08 0.100000E-04    0.855105E+00
  73    0.139774E-06    0.102841E+03 -0.135912E-08 0.100000E-04    0.930453E+00
  74    0.119242E-05    0.995322E+02 -0.119802E-07 0.100000E-04    0.934073E+00
  75   -0.851600E-07    0.960961E+02  0.886195E-09 0.100000E-04    0.296842E+01
  76    0.340230E-06    0.941174E+02 -0.361495E-08 0.100000E-04    0.853587E+00
  77    0.294611E-05    0.920008E+02 -0.320227E-07 0.100000E-04    0.984530E+00
  78   -0.538201E-06    0.912085E+02  0.590077E-08 0.100000E-04    0.995318E+00
  79   -0.140634E-06    0.884477E+02  0.159003E-08 0.100000E-04    0.595801E+00
  80    0.139452E-06    0.855882E+02 -0.162933E-08 0.100000E-04    0.524031E+00
  81    0.991315E-06    0.808254E+02 -0.122649E-07 0.100000E-04    0.842865E+00
  82    0.104639E-05    0.804689E+02 -0.130037E-07 0.100000E-04    0.850339E+00
  83    0.914891E-06    0.779577E+02 -0.117357E-07 0.100000E-04    0.812745E+00
  84   -0.412849E-06    0.732999E+02  0.563232E-08 0.100000E-04    0.796797E+00
  85   -0.388200E-05    0.725911E+02  0.534777E-07 0.100000E-04    0.969811E+00
  86    0.235852E-06    0.679280E+02 -0.347209E-08 0.109000E-04    0.797436E-01
  87   -0.141174E-05    0.647773E+02  0.217937E-07 0.100000E-04    0.934009E+00
  88   -0.368178E-05    0.613833E+02  0.599801E-07 0.100000E-04    0.963570E+00
  89   -0.324025E-05    0.598487E+02  0.541406E-07 0.100000E-04    0.955492E+00
  90   -0.818237E-06    0.593920E+02  0.137769E-07 0.100000E-04    0.231878E+00
  91    0.251199E-05    0.581437E+02 -0.432031E-07 0.100000E-04    0.883179E+00
  92    0.246161E-05    0.558685E+02 -0.440607E-07 0.100000E-04    0.804434E+00
  93    0.321454E-05    0.524583E+02 -0.612781E-07 0.100000E-04    0.901881E+00
  94    0.459257E-06    0.520456E+02 -0.882412E-08 0.100000E-04    0.828246E+00
  95    0.364472E-05    0.501967E+02 -0.726088E-07 0.100000E-04    0.962129E+00
  96    0.222524E-05    0.462063E+02 -0.481589E-07 0.100000E-04    0.958058E+00
  97   -0.287242E-05    0.433259E+02  0.662980E-07 0.100000E-04    0.861198E+00
  98   -0.377580E-06    0.409012E+02  0.923152E-08 0.100000E-04    0.590785E+00
  99   -0.408046E-05    0.378715E+02  0.107745E-06 0.100000E-04    0.982885E+00
 100   -0.164979E-05    0.362249E+02  0.455429E-07 0.100000E-04    0.978617E+00
 101    0.120577E-04    0.323035E+02 -0.373264E-06 0.100000E-04    0.905594E+00
 102    0.233821E-05    0.288781E+02 -0.809681E-07 0.100000E-04    0.882888E+00
 103   -0.902379E-06    0.284503E+02  0.317177E-07 0.100000E-04    0.701630E+00
 104   -0.433497E-05    0.262903E+02  0.164889E-06 0.100000E-04    0.889881E+00
 105   -0.570906E-05    0.233223E+02  0.244790E-06 0.100000E-04    0.914231E+00
 106    0.650405E-05    0.213147E+02 -0.305143E-06 0.100000E-04    0.975733E+00
 107   -0.249882E-04    0.198581E+02  0.125834E-05 0.100000E-04    0.899714E+00
 108   -0.255918E-04    0.164741E+02  0.155345E-05 0.100000E-04    0.904138E+00
 109   -0.884214E-05    0.139009E+02  0.636086E-06 0.100000E-04    0.983726E+00
 110    0.805984E-02    0.122383E+02 -0.199256E-04 0.199256E-04    0.409500E-01
 111    0.158584E-05    0.100911E+02 -0.157152E-06 0.100000E-04    0.937536E+00
 112    0.351913E-01    0.896028E+01 -0.100000E-04 0.100000E-04    0.709014E+00
 113   -0.902074E-01    0.574281E+01  0.217446E-04 0.217446E-04    0.467998E+00
 114   -0.912499E+00    0.319192E+01 -0.100000E-04 0.100000E-04    0.705244E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2174461420E-04    0.2656963599    

 Beginning of optimization cycle  538.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999855408
 potential> RMS force:                                               0.0859477930   |gradient|=.9176713114    
 Eigenvalues of the Hessian matrix:
   746.44549    674.16150    630.54154    600.85468    586.42344    578.89168 
   565.13647    487.43365    460.70579    459.82600    441.69103    429.27252 
   421.97182    408.06151    396.38202    387.57922    369.98250    360.54626 
   349.39099    335.29050    329.23781    321.85719    319.08130    309.50998 
   300.86139    290.56672    278.88763    272.70101    268.51281    264.93312 
   263.76216    253.23974    241.53828    240.76322    233.95506    227.51541 
   217.08625    214.88448    213.25801    207.63970    203.01643    195.49447 
   194.83093    191.34728    182.92934    174.30644    172.31400    168.20906 
   163.25317    156.88680    154.89425    152.26601    146.70157    143.37500 
   138.06013    135.87154    130.30973    128.82305    126.87873    124.14139 
   119.99751    118.16615    116.87090    110.35228    106.85407    104.42262 
   102.84124     99.53167     96.09608     94.11711     92.00037     91.20898 
    88.44731     85.58850     80.82563     80.46923     77.95791     73.29959 
    72.59053     67.92784     64.77700     61.38282     59.84863     59.39215 
    58.14349     55.86887     52.45794     52.04549     50.19746     46.20521 
    43.32576     40.90155     37.87135     36.22455     32.30287     28.87854 
    28.45036     26.29036     23.32275     21.31480     19.85810     16.47367 
    13.90104     12.23842     10.09113      8.96198      5.74283      3.19156 
overlap for current and previous eigenvector    109 is         0.9999999790
overlap for current and previous eigenvector    110 is         0.9999999767
overlap for current and previous eigenvector    111 is         0.9999999631
overlap for current and previous eigenvector    112 is         0.9999999387
overlap for current and previous eigenvector    113 is         0.9999999365
overlap for current and previous eigenvector    114 is         0.9999999749
J1,K1,R1,R2,RAT=   7   7   -0.3826677178E-01     2.038259186        0.9617332282    
FOB,PFOB,DIAG,PSTEP=   -0.3454015588E-06   -0.3326712555E-06     746.4454923        0.4456755661E-09
J1,K1,R1,R2,RAT=   8   8    0.9056320186E-01     1.909443349        0.9094367981    
FOB,PFOB,DIAG,PSTEP=   -0.3557724141E-06   -0.3912006846E-06     674.1615021        0.5802755007E-09
J1,K1,R1,R2,RAT=   9   9    0.1288319734         1.871163562        0.8711635619    
FOB,PFOB,DIAG,PSTEP=   -0.4855849000E-06   -0.5573954110E-06     630.5415395        0.8839967242E-09
J1,K1,R1,R2,RAT=  10  10   -0.6567040024         2.656708730        0.3432959976    
FOB,PFOB,DIAG,PSTEP=    0.7349955289E-07    0.4436496903E-07     600.8546811       -0.7383626284E-10
J1,K1,R1,R2,RAT=  11  11   -0.2139671375         2.213971397        0.7860328625    
FOB,PFOB,DIAG,PSTEP=   -0.7106316550E-07   -0.5853798672E-07     586.4234411        0.9982183171E-10
J1,K1,R1,R2,RAT= 109 109    0.1136266734E-03     1.999861360        0.9998613598    
FOB,PFOB,DIAG,PSTEP=   -0.8841139095E-05   -0.8842143811E-05     13.90103552        0.6360860228E-06
J1,K1,R1,R2,RAT= 110 110     1.030599142         65.07213304        0.3059914203E-01
FOB,PFOB,DIAG,PSTEP=    0.7808524418E-02    0.8059844400E-02     12.23841735       -0.1992562642E-04
J1,K1,R1,R2,RAT= 111 111   -0.2739702854E-01     2.027387786        0.9726029715    
FOB,PFOB,DIAG,PSTEP=    0.1629286897E-05    0.1585839409E-05     10.09113333       -0.1571524908E-06
J1,K1,R1,R2,RAT= 112 112    0.3317856182         785.0155486        0.6682143818    
FOB,PFOB,DIAG,PSTEP=    0.3516158635E-01    0.3519132090E-01     8.961976279       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.4964392122         1445.252322        0.5035607878    
FOB,PFOB,DIAG,PSTEP=   -0.9026935419E-01   -0.9020736106E-01     5.742827821        0.2174461420E-04
J1,K1,R1,R2,RAT= 114 114    0.3509624893        -57182.40717        0.6490375107    
FOB,PFOB,DIAG,PSTEP=   -0.9125101467       -0.9124989455         3.191556954       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
    -0.00001      0.00781      0.00000      0.03516     -0.09027     -0.91251 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3844019160
 Log product of positive Hessian eigenvalues =          519.0682701147
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1915569536
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=        0.0000000008
 Unscaled step for mode   10=       -0.0000000001
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=        0.0000000000
 Unscaled step for mode   14=       -0.0000000018
 Unscaled step for mode   15=        0.0000000005
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000007
 Unscaled step for mode   19=       -0.0000000000
 Unscaled step for mode   20=        0.0000000015
 Unscaled step for mode   21=        0.0000000005
 Unscaled step for mode   22=        0.0000000013
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000004
 Unscaled step for mode   25=        0.0000000005
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000020
 Unscaled step for mode   28=        0.0000000004
 Unscaled step for mode   29=       -0.0000000009
 Unscaled step for mode   30=       -0.0000000047
 Unscaled step for mode   31=        0.0000000029
 Unscaled step for mode   32=        0.0000000057
 Unscaled step for mode   33=       -0.0000000011
 Unscaled step for mode   34=        0.0000000011
 Unscaled step for mode   35=       -0.0000000023
 Unscaled step for mode   36=       -0.0000000078
 Unscaled step for mode   37=        0.0000000014
 Unscaled step for mode   38=       -0.0000000012
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000071
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000071
 Unscaled step for mode   43=       -0.0000000005
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000025
 Unscaled step for mode   46=       -0.0000000071
 Unscaled step for mode   47=        0.0000000058
 Unscaled step for mode   48=        0.0000000006
 Unscaled step for mode   49=       -0.0000000060
 Unscaled step for mode   50=       -0.0000000083
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000024
 Unscaled step for mode   53=       -0.0000000035
 Unscaled step for mode   54=        0.0000000024
 Unscaled step for mode   55=       -0.0000000081
 Unscaled step for mode   56=        0.0000000096
 Unscaled step for mode   57=       -0.0000000026
 Unscaled step for mode   58=        0.0000000085
 Unscaled step for mode   59=       -0.0000000018
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000054
 Unscaled step for mode   62=       -0.0000000035
 Unscaled step for mode   63=        0.0000000145
 Unscaled step for mode   64=        0.0000000006
 Unscaled step for mode   65=        0.0000000101
 Unscaled step for mode   66=       -0.0000000065
 Unscaled step for mode   67=        0.0000000161
 Unscaled step for mode   68=       -0.0000000003
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=        0.0000000133
 Unscaled step for mode   71=        0.0000000058
 Unscaled step for mode   72=        0.0000000063
 Unscaled step for mode   73=       -0.0000000010
 Unscaled step for mode   74=       -0.0000000131
 Unscaled step for mode   75=        0.0000000004
 Unscaled step for mode   76=       -0.0000000032
 Unscaled step for mode   77=       -0.0000000329
 Unscaled step for mode   78=       -0.0000000053
 Unscaled step for mode   79=        0.0000000006
 Unscaled step for mode   80=       -0.0000000006
 Unscaled step for mode   81=       -0.0000000108
 Unscaled step for mode   82=       -0.0000000112
 Unscaled step for mode   83=       -0.0000000133
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000521
 Unscaled step for mode   86=        0.0000000059
 Unscaled step for mode   87=        0.0000000190
 Unscaled step for mode   88=        0.0000000627
 Unscaled step for mode   89=        0.0000000527
 Unscaled step for mode   90=        0.0000000203
 Unscaled step for mode   91=       -0.0000000360
 Unscaled step for mode   92=       -0.0000000357
 Unscaled step for mode   93=       -0.0000000568
 Unscaled step for mode   94=       -0.0000000089
 Unscaled step for mode   95=       -0.0000000706
 Unscaled step for mode   96=       -0.0000000455
 Unscaled step for mode   97=        0.0000000549
 Unscaled step for mode   98=        0.0000000149
 Unscaled step for mode   99=        0.0000001022
 Unscaled step for mode  100=        0.0000000414
 Unscaled step for mode  101=       -0.0000003389
 Unscaled step for mode  102=       -0.0000000971
 Unscaled step for mode  103=        0.0000000212
 Unscaled step for mode  104=        0.0000001901
 Unscaled step for mode  105=        0.0000002178
 Unscaled step for mode  106=       -0.0000002931
 Unscaled step for mode  107=        0.0000011393
 Unscaled step for mode  108=        0.0000014074
 Unscaled step for mode  109=        0.0000006360
 Unscaled step for mode  110=       -0.0006380336
 Unscaled step for mode  111=       -0.0000001615
 Unscaled step for mode  112=       -0.0039233584
 Unscaled step for mode  113=        0.0157147428
 Unscaled step for mode  114=       -0.2657254185
 Largest modulus ratio of non-zero e/values=           233.8813009    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.531367E-15    0.101910E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.174004E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.606069E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.158402E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.297287E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.281285E-14    0.974273E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.345402E-06    0.746445E+03  0.462728E-09 0.100000E-04    0.961733E+00
   8   -0.355772E-06    0.674162E+03  0.527726E-09 0.100000E-04    0.909437E+00
   9   -0.485585E-06    0.630542E+03  0.770108E-09 0.100000E-04    0.871164E+00
  10    0.734996E-07    0.600855E+03 -0.122325E-09 0.100000E-04    0.343296E+00
  11   -0.710632E-07    0.586423E+03  0.121181E-09 0.100000E-04    0.786033E+00
  12   -0.103037E-05    0.578892E+03  0.177990E-08 0.100000E-04    0.930330E+00
  13   -0.137765E-07    0.565136E+03  0.243772E-10 0.100000E-04    0.977366E+00
  14    0.858423E-06    0.487434E+03 -0.176111E-08 0.100000E-04    0.997425E+00
  15   -0.223783E-06    0.460706E+03  0.485739E-09 0.100000E-04    0.830360E+00
  16   -0.114163E-06    0.459826E+03  0.248273E-09 0.100000E-04    0.813036E+00
  17   -0.554814E-06    0.441691E+03  0.125611E-08 0.100000E-04    0.903805E+00
  18   -0.315222E-06    0.429273E+03  0.734318E-09 0.100000E-04    0.886961E+00
  19    0.171224E-07    0.421972E+03 -0.405770E-10 0.100000E-04    0.699825E+00
  20   -0.610224E-06    0.408062E+03  0.149542E-08 0.100000E-04    0.975396E+00
  21   -0.214749E-06    0.396382E+03  0.541772E-09 0.100000E-04    0.802532E+00
  22   -0.485096E-06    0.387579E+03  0.125161E-08 0.100000E-04    0.917675E+00
  23    0.788658E-06    0.369982E+03 -0.213161E-08 0.100000E-04    0.913549E+00
  24   -0.146413E-06    0.360546E+03  0.406087E-09 0.100000E-04    0.773106E+00
  25   -0.162959E-06    0.349391E+03  0.466408E-09 0.100000E-04    0.880013E+00
  26   -0.983317E-07    0.335290E+03  0.293273E-09 0.109000E-04    0.108604E+00
  27    0.670891E-06    0.329238E+03 -0.203771E-08 0.100000E-04    0.973060E+00
  28   -0.136238E-06    0.321857E+03  0.423287E-09 0.100000E-04    0.672579E+00
  29    0.288258E-06    0.319081E+03 -0.903401E-09 0.100000E-04    0.490009E+00
  30    0.145987E-05    0.309510E+03 -0.471671E-08 0.100000E-04    0.924088E+00
  31   -0.875375E-06    0.300861E+03  0.290956E-08 0.100000E-04    0.897801E+00
  32   -0.165505E-05    0.290567E+03  0.569595E-08 0.100000E-04    0.970952E+00
  33    0.306281E-06    0.278888E+03 -0.109822E-08 0.100000E-04    0.715932E+00
  34   -0.313541E-06    0.272701E+03  0.114976E-08 0.100000E-04    0.748808E+00
  35    0.613524E-06    0.268513E+03 -0.228490E-08 0.100000E-04    0.846750E+00
  36    0.206566E-05    0.264933E+03 -0.779692E-08 0.100000E-04    0.992345E+00
  37   -0.366269E-06    0.263762E+03  0.138863E-08 0.100000E-04    0.871935E+00
  38    0.292834E-06    0.253240E+03 -0.115635E-08 0.100000E-04    0.851096E+00
  39   -0.456223E-06    0.241538E+03  0.188882E-08 0.100000E-04    0.909352E+00
  40   -0.170263E-05    0.240763E+03  0.707181E-08 0.100000E-04    0.981479E+00
  41   -0.105543E-05    0.233955E+03  0.451125E-08 0.100000E-04    0.972551E+00
  42   -0.161367E-05    0.227515E+03  0.709256E-08 0.100000E-04    0.917173E+00
  43    0.118761E-06    0.217086E+03 -0.547070E-09 0.100000E-04    0.662449E+00
  44   -0.199371E-05    0.214884E+03  0.927807E-08 0.100000E-04    0.937335E+00
  45    0.529406E-06    0.213258E+03 -0.248247E-08 0.100000E-04    0.931649E+00
  46    0.148018E-05    0.207640E+03 -0.712857E-08 0.100000E-04    0.986937E+00
  47   -0.117271E-05    0.203016E+03  0.577644E-08 0.100000E-04    0.984891E+00
  48   -0.111079E-06    0.195494E+03  0.568195E-09 0.100000E-04    0.349723E+00
  49    0.116096E-05    0.194831E+03 -0.595881E-08 0.100000E-04    0.949480E+00
  50    0.159381E-05    0.191347E+03 -0.832941E-08 0.100000E-04    0.903294E+00
  51    0.245771E-06    0.182929E+03 -0.134353E-08 0.100000E-04    0.915116E+00
  52   -0.416664E-06    0.174306E+03  0.239041E-08 0.100000E-04    0.860040E+00
  53    0.610103E-06    0.172314E+03 -0.354065E-08 0.100000E-04    0.904601E+00
  54   -0.397476E-06    0.168209E+03  0.236299E-08 0.100000E-04    0.999243E+00
  55    0.132865E-05    0.163253E+03 -0.813857E-08 0.100000E-04    0.987051E+00
  56   -0.150042E-05    0.156887E+03  0.956370E-08 0.100000E-04    0.968439E+00
  57    0.409855E-06    0.154894E+03 -0.264603E-08 0.100000E-04    0.919306E+00
  58   -0.128805E-05    0.152266E+03  0.845924E-08 0.100000E-04    0.981587E+00
  59    0.259466E-06    0.146702E+03 -0.176867E-08 0.100000E-04    0.833179E+00
  60    0.155896E-06    0.143375E+03 -0.108733E-08 0.100000E-04    0.490707E+00
  61   -0.752025E-06    0.138060E+03  0.544708E-08 0.100000E-04    0.807260E+00
  62    0.471916E-06    0.135872E+03 -0.347325E-08 0.100000E-04    0.828777E+00
  63   -0.188521E-05    0.130310E+03  0.144671E-07 0.100000E-04    0.886622E+00
  64   -0.751022E-07    0.128823E+03  0.582987E-09 0.100000E-04    0.102432E+01
  65   -0.128057E-05    0.126879E+03  0.100928E-07 0.100000E-04    0.894615E+00
  66    0.804641E-06    0.124141E+03 -0.648165E-08 0.100000E-04    0.928462E+00
  67   -0.193377E-05    0.119998E+03  0.161151E-07 0.100000E-04    0.936892E+00
  68    0.355425E-07    0.118166E+03 -0.300784E-09 0.100000E-04    0.360811E+00
  69   -0.624827E-07    0.116871E+03  0.534630E-09 0.100000E-04    0.755979E+00
  70   -0.146623E-05    0.110352E+03  0.132868E-07 0.100000E-04    0.924299E+00
  71   -0.619518E-06    0.106854E+03  0.579779E-08 0.100000E-04    0.903516E+00
  72   -0.659725E-06    0.104423E+03  0.631783E-08 0.100000E-04    0.922797E+00
  73    0.101809E-06    0.102841E+03 -0.989961E-09 0.100000E-04    0.728378E+00
  74    0.129890E-05    0.995317E+02 -0.130502E-07 0.100000E-04    0.910694E+00
  75   -0.357633E-07    0.960961E+02  0.372162E-09 0.100000E-04    0.419954E+00
  76    0.297565E-06    0.941171E+02 -0.316165E-08 0.100000E-04    0.874600E+00
  77    0.302703E-05    0.920004E+02 -0.329024E-07 0.100000E-04    0.972535E+00
  78    0.483284E-06    0.912090E+02 -0.529865E-08 0.100000E-04    0.897953E+00
  79   -0.558142E-07    0.884473E+02  0.631045E-09 0.100000E-04    0.396873E+00
  80    0.478981E-07    0.855885E+02 -0.559633E-09 0.100000E-04    0.343469E+00
  81    0.876798E-06    0.808256E+02 -0.108480E-07 0.100000E-04    0.884475E+00
  82    0.904126E-06    0.804692E+02 -0.112357E-07 0.100000E-04    0.864032E+00
  83    0.103311E-05    0.779579E+02 -0.132522E-07 0.100000E-04    0.870780E+00
  84    0.213214E-06    0.732996E+02 -0.290881E-08 0.100000E-04    0.516444E+00
  85    0.378322E-05    0.725905E+02 -0.521172E-07 0.100000E-04    0.974553E+00
  86   -0.400349E-06    0.679278E+02  0.589374E-08 0.100000E-04    0.302541E+00
  87   -0.123313E-05    0.647770E+02  0.190366E-07 0.100000E-04    0.873484E+00
  88   -0.384966E-05    0.613828E+02  0.627156E-07 0.100000E-04    0.954401E+00
  89   -0.315381E-05    0.598486E+02  0.526964E-07 0.100000E-04    0.973322E+00
  90   -0.120754E-05    0.593922E+02  0.203316E-07 0.100000E-04    0.524221E+00
  91    0.209390E-05    0.581435E+02 -0.360126E-07 0.100000E-04    0.833562E+00
  92    0.199626E-05    0.558689E+02 -0.357312E-07 0.100000E-04    0.810946E+00
  93    0.298102E-05    0.524579E+02 -0.568269E-07 0.100000E-04    0.927355E+00
  94    0.462822E-06    0.520455E+02 -0.889264E-08 0.100000E-04    0.992238E+00
  95    0.354213E-05    0.501975E+02 -0.705639E-07 0.100000E-04    0.971822E+00
  96    0.210340E-05    0.462052E+02 -0.455231E-07 0.100000E-04    0.945247E+00
  97   -0.238032E-05    0.433258E+02  0.549401E-07 0.100000E-04    0.828682E+00
  98   -0.607570E-06    0.409015E+02  0.148544E-07 0.100000E-04    0.390892E+00
  99   -0.386979E-05    0.378714E+02  0.102182E-06 0.100000E-04    0.948371E+00
 100   -0.150093E-05    0.362246E+02  0.414340E-07 0.100000E-04    0.909771E+00
 101    0.109478E-04    0.323029E+02 -0.338910E-06 0.100000E-04    0.907942E+00
 102    0.280431E-05    0.288785E+02 -0.971070E-07 0.100000E-04    0.800662E+00
 103   -0.603259E-06    0.284504E+02  0.212039E-07 0.100000E-04    0.668519E+00
 104   -0.499861E-05    0.262904E+02  0.190131E-06 0.100000E-04    0.846911E+00
 105   -0.507937E-05    0.233228E+02  0.217786E-06 0.100000E-04    0.889667E+00
 106    0.624685E-05    0.213148E+02 -0.293076E-06 0.100000E-04    0.960451E+00
 107   -0.226236E-04    0.198581E+02  0.113926E-05 0.100000E-04    0.905366E+00
 108   -0.231844E-04    0.164737E+02  0.140736E-05 0.100000E-04    0.905929E+00
 109   -0.884114E-05    0.139010E+02  0.636006E-06 0.100000E-04    0.999861E+00
 110    0.780852E-02    0.122384E+02 -0.217189E-04 0.217189E-04    0.305991E-01
 111    0.162929E-05    0.100911E+02 -0.161457E-06 0.100000E-04    0.972603E+00
 112    0.351616E-01    0.896198E+01 -0.100000E-04 0.100000E-04    0.668214E+00
 113   -0.902694E-01    0.574283E+01  0.195897E-04 0.195897E-04    0.503561E+00
 114   -0.912510E+00    0.319156E+01 -0.100000E-04 0.100000E-04    0.649038E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2171893279E-04    0.2657254185    

 Beginning of optimization cycle  539.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999787007
 potential> RMS force:                                               0.0859491993   |gradient|=.9176863265    
 Eigenvalues of the Hessian matrix:
   746.44802    674.15938    630.54265    600.85337    586.42222    578.89112 
   565.13364    487.43452    460.70428    459.82492    441.69082    429.27488 
   421.97034    408.05956    396.38122    387.57733    369.98339    360.54686 
   349.39048    335.28996    329.23885    321.85646    319.08228    309.50748 
   300.86083    290.56775    278.88951    272.70156    268.51338    264.93339 
   263.76384    253.23981    241.53921    240.76306    233.95611    227.51531 
   217.08712    214.88453    213.25846    207.64031    203.01637    195.49347 
   194.83091    191.34720    182.92956    174.30728    172.31452    168.20896 
   163.25255    156.88672    154.89420    152.26583    146.70114    143.37451 
   138.06059    135.87161    130.30939    128.82336    126.87910    124.14048 
   119.99775    118.16600    116.87028    110.35236    106.85333    104.42337 
   102.84164     99.53108     96.09606     94.11688     91.99992     91.20948 
    88.44702     85.58881     80.82584     80.46950     77.95814     73.29927 
    72.59000     67.92780     64.77677     61.38234     59.84854     59.39227 
    58.14333     55.86931     52.45763     52.04539     50.19824     46.20415 
    43.32554     40.90188     37.87124     36.22430     32.30224     28.87892 
    28.45038     26.29038     23.32323     21.31486     19.85814     16.47320 
    13.90122     12.23856     10.09119      8.96359      5.74281      3.19120 
overlap for current and previous eigenvector    109 is         0.9999999796
overlap for current and previous eigenvector    110 is         0.9999999719
overlap for current and previous eigenvector    111 is         0.9999999623
overlap for current and previous eigenvector    112 is         0.9999999464
overlap for current and previous eigenvector    113 is        -0.9999999462
overlap for current and previous eigenvector    114 is        -0.9999999804
J1,K1,R1,R2,RAT=   7   7   -0.6168622708E-01     2.061679453        0.9383137729    
FOB,PFOB,DIAG,PSTEP=   -0.3667081500E-06   -0.3454015588E-06     746.4480206        0.4627284408E-09
J1,K1,R1,R2,RAT=   8   8    0.7382076386E-01     1.926185531        0.9261792361    
FOB,PFOB,DIAG,PSTEP=   -0.3295091054E-06   -0.3557724141E-06     674.1593802        0.5277257941E-09
J1,K1,R1,R2,RAT=   9   9    0.1326982155         1.867298271        0.8672982708    
FOB,PFOB,DIAG,PSTEP=   -0.4211485371E-06   -0.4855849000E-06     630.5426473        0.7701077083E-09
J1,K1,R1,R2,RAT=  10  10   -0.4129917787         2.412996132        0.5870082213    
FOB,PFOB,DIAG,PSTEP=    0.1038541979E-06    0.7349955289E-07     600.8533732       -0.1223250067E-09
J1,K1,R1,R2,RAT=  11  11   -0.2262549860         2.226259160        0.7737450140    
FOB,PFOB,DIAG,PSTEP=   -0.8714152746E-07   -0.7106316550E-07     586.4222173        0.1211806359E-09
J1,K1,R1,R2,RAT= 109 109   -0.9636538058E-02     2.009610197        0.9903634619    
FOB,PFOB,DIAG,PSTEP=   -0.8926338190E-05   -0.8841139095E-05     13.90121861        0.6360057911E-06
J1,K1,R1,R2,RAT= 110 110     1.021610268         57.73142121        0.2161026797E-01
FOB,PFOB,DIAG,PSTEP=    0.7536971836E-02    0.7808524418E-02     12.23855678       -0.2171893279E-04
J1,K1,R1,R2,RAT= 111 111   -0.7549089186E-01     2.075479119        0.9245091081    
FOB,PFOB,DIAG,PSTEP=    0.1752283942E-05    0.1629286897E-05     10.09119273       -0.1614572758E-06
J1,K1,R1,R2,RAT= 112 112    0.3659631278         784.1764619        0.6340368722    
FOB,PFOB,DIAG,PSTEP=    0.3512878292E-01    0.3516158635E-01     8.963590810       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1605.241594       -0.4562712028        0.5437287972    
FOB,PFOB,DIAG,PSTEP=    0.9032068480E-01   -0.9026935419E-01     5.742812798        0.1958974252E-04
J1,K1,R1,R2,RAT= 114 114    -57189.62190        0.4251569623        0.5748430377    
FOB,PFOB,DIAG,PSTEP=    0.9125237143       -0.9125101467         3.191197634       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001      0.00000 
    -0.00000     -0.00001     -0.00000     -0.00001     -0.00002      0.00002 
    -0.00001      0.00754      0.00000      0.03513      0.09032      0.91252 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3843648188
 Log product of positive Hessian eigenvalues =          519.0683204911
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1911976340
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=        0.0000000007
 Unscaled step for mode   10=       -0.0000000002
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=        0.0000000000
 Unscaled step for mode   14=       -0.0000000018
 Unscaled step for mode   15=        0.0000000004
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000011
 Unscaled step for mode   18=        0.0000000006
 Unscaled step for mode   19=        0.0000000000
 Unscaled step for mode   20=        0.0000000015
 Unscaled step for mode   21=        0.0000000004
 Unscaled step for mode   22=        0.0000000012
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000003
 Unscaled step for mode   25=        0.0000000006
 Unscaled step for mode   26=        0.0000000005
 Unscaled step for mode   27=       -0.0000000020
 Unscaled step for mode   28=        0.0000000002
 Unscaled step for mode   29=       -0.0000000013
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000027
 Unscaled step for mode   32=        0.0000000056
 Unscaled step for mode   33=       -0.0000000014
 Unscaled step for mode   34=        0.0000000014
 Unscaled step for mode   35=       -0.0000000020
 Unscaled step for mode   36=       -0.0000000079
 Unscaled step for mode   37=        0.0000000012
 Unscaled step for mode   38=       -0.0000000013
 Unscaled step for mode   39=        0.0000000021
 Unscaled step for mode   40=        0.0000000071
 Unscaled step for mode   41=        0.0000000046
 Unscaled step for mode   42=        0.0000000066
 Unscaled step for mode   43=       -0.0000000007
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000024
 Unscaled step for mode   46=       -0.0000000072
 Unscaled step for mode   47=        0.0000000058
 Unscaled step for mode   48=       -0.0000000005
 Unscaled step for mode   49=       -0.0000000058
 Unscaled step for mode   50=       -0.0000000075
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000020
 Unscaled step for mode   53=        0.0000000039
 Unscaled step for mode   54=        0.0000000025
 Unscaled step for mode   55=       -0.0000000082
 Unscaled step for mode   56=       -0.0000000093
 Unscaled step for mode   57=       -0.0000000023
 Unscaled step for mode   58=        0.0000000085
 Unscaled step for mode   59=       -0.0000000015
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000041
 Unscaled step for mode   62=       -0.0000000029
 Unscaled step for mode   63=       -0.0000000128
 Unscaled step for mode   64=        0.0000000016
 Unscaled step for mode   65=       -0.0000000089
 Unscaled step for mode   66=       -0.0000000060
 Unscaled step for mode   67=        0.0000000153
 Unscaled step for mode   68=       -0.0000000003
 Unscaled step for mode   69=        0.0000000003
 Unscaled step for mode   70=        0.0000000126
 Unscaled step for mode   71=       -0.0000000052
 Unscaled step for mode   72=        0.0000000074
 Unscaled step for mode   73=       -0.0000000005
 Unscaled step for mode   74=       -0.0000000143
 Unscaled step for mode   75=       -0.0000000006
 Unscaled step for mode   76=       -0.0000000028
 Unscaled step for mode   77=        0.0000000346
 Unscaled step for mode   78=        0.0000000044
 Unscaled step for mode   79=       -0.0000000003
 Unscaled step for mode   80=       -0.0000000003
 Unscaled step for mode   81=        0.0000000099
 Unscaled step for mode   82=        0.0000000098
 Unscaled step for mode   83=        0.0000000146
 Unscaled step for mode   84=        0.0000000003
 Unscaled step for mode   85=       -0.0000000512
 Unscaled step for mode   86=       -0.0000000086
 Unscaled step for mode   87=       -0.0000000159
 Unscaled step for mode   88=       -0.0000000660
 Unscaled step for mode   89=        0.0000000521
 Unscaled step for mode   90=       -0.0000000265
 Unscaled step for mode   91=       -0.0000000284
 Unscaled step for mode   92=       -0.0000000287
 Unscaled step for mode   93=        0.0000000535
 Unscaled step for mode   94=        0.0000000097
 Unscaled step for mode   95=       -0.0000000694
 Unscaled step for mode   96=        0.0000000429
 Unscaled step for mode   97=       -0.0000000438
 Unscaled step for mode   98=       -0.0000000216
 Unscaled step for mode   99=        0.0000000957
 Unscaled step for mode  100=        0.0000000360
 Unscaled step for mode  101=        0.0000003084
 Unscaled step for mode  102=       -0.0000001166
 Unscaled step for mode  103=        0.0000000120
 Unscaled step for mode  104=        0.0000002193
 Unscaled step for mode  105=        0.0000001898
 Unscaled step for mode  106=        0.0000002802
 Unscaled step for mode  107=        0.0000010368
 Unscaled step for mode  108=       -0.0000012768
 Unscaled step for mode  109=        0.0000006421
 Unscaled step for mode  110=       -0.0006158381
 Unscaled step for mode  111=       -0.0000001736
 Unscaled step for mode  112=       -0.0039189923
 Unscaled step for mode  113=       -0.0157237155
 Unscaled step for mode  114=        0.2657548212
 Largest modulus ratio of non-zero e/values=           233.9084276    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.476615E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.257211E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.269966E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.680445E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.602566E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.260134E-14    0.974274E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.366708E-06    0.746448E+03  0.491271E-09 0.100000E-04    0.938314E+00
   8   -0.329509E-06    0.674159E+03  0.488770E-09 0.100000E-04    0.926179E+00
   9   -0.421149E-06    0.630543E+03  0.667914E-09 0.100000E-04    0.867298E+00
  10    0.103854E-06    0.600853E+03 -0.172844E-09 0.100000E-04    0.587008E+00
  11   -0.871415E-07    0.586422E+03  0.148599E-09 0.100000E-04    0.773745E+00
  12   -0.968164E-06    0.578891E+03  0.167245E-08 0.100000E-04    0.939625E+00
  13   -0.174591E-07    0.565134E+03  0.308937E-10 0.100000E-04    0.732687E+00
  14    0.868083E-06    0.487435E+03 -0.178092E-08 0.100000E-04    0.988747E+00
  15   -0.176651E-06    0.460704E+03  0.383438E-09 0.100000E-04    0.789387E+00
  16   -0.865963E-07    0.459825E+03  0.188325E-09 0.100000E-04    0.758535E+00
  17   -0.500490E-06    0.441691E+03  0.113312E-08 0.100000E-04    0.902086E+00
  18   -0.273876E-06    0.429275E+03  0.637998E-09 0.100000E-04    0.868825E+00
  19   -0.375370E-08    0.421970E+03  0.889565E-11 0.100000E-04    0.219225E+00
  20   -0.596854E-06    0.408060E+03  0.146266E-08 0.100000E-04    0.978090E+00
  21   -0.162177E-06    0.396381E+03  0.409143E-09 0.100000E-04    0.755192E+00
  22   -0.454315E-06    0.387577E+03  0.117219E-08 0.100000E-04    0.936545E+00
  23    0.722747E-06    0.369983E+03 -0.195346E-08 0.100000E-04    0.916422E+00
  24   -0.109922E-06    0.360547E+03  0.304875E-09 0.100000E-04    0.750761E+00
  25   -0.200443E-06    0.349390E+03  0.573695E-09 0.100000E-04    0.769973E+00
  26   -0.167291E-06    0.335290E+03  0.498944E-09 0.100000E-04    0.298707E+00
  27    0.644676E-06    0.329239E+03 -0.195808E-08 0.100000E-04    0.960918E+00
  28   -0.655772E-07    0.321856E+03  0.203747E-09 0.100000E-04    0.481342E+00
  29    0.410083E-06    0.319082E+03 -0.128519E-08 0.100000E-04    0.577381E+00
  30   -0.137006E-05    0.309507E+03  0.442657E-08 0.100000E-04    0.938479E+00
  31   -0.806027E-06    0.300861E+03  0.267907E-08 0.100000E-04    0.920779E+00
  32   -0.162862E-05    0.290568E+03  0.560495E-08 0.100000E-04    0.984019E+00
  33    0.382686E-06    0.278890E+03 -0.137218E-08 0.100000E-04    0.750541E+00
  34   -0.390676E-06    0.272702E+03  0.143262E-08 0.100000E-04    0.753988E+00
  35    0.524572E-06    0.268513E+03 -0.195362E-08 0.100000E-04    0.855011E+00
  36    0.209023E-05    0.264933E+03 -0.788962E-08 0.100000E-04    0.988109E+00
  37   -0.307549E-06    0.263764E+03  0.116600E-08 0.100000E-04    0.839669E+00
  38    0.327482E-06    0.253240E+03 -0.129317E-08 0.100000E-04    0.881679E+00
  39   -0.519053E-06    0.241539E+03  0.214894E-08 0.100000E-04    0.862281E+00
  40   -0.170625E-05    0.240763E+03  0.708685E-08 0.100000E-04    0.997874E+00
  41   -0.106761E-05    0.233956E+03  0.456328E-08 0.100000E-04    0.988462E+00
  42   -0.150021E-05    0.227515E+03  0.659388E-08 0.100000E-04    0.929689E+00
  43    0.141196E-06    0.217087E+03 -0.650411E-09 0.100000E-04    0.811097E+00
  44   -0.191166E-05    0.214885E+03  0.889620E-08 0.100000E-04    0.958842E+00
  45    0.510231E-06    0.213258E+03 -0.239255E-08 0.100000E-04    0.963777E+00
  46    0.149900E-05    0.207640E+03 -0.721921E-08 0.100000E-04    0.987283E+00
  47   -0.117999E-05    0.203016E+03  0.581227E-08 0.100000E-04    0.993797E+00
  48    0.952318E-07    0.195493E+03 -0.487135E-09 0.100000E-04    0.857334E+00
  49    0.113384E-05    0.194831E+03 -0.581959E-08 0.100000E-04    0.976636E+00
  50    0.144121E-05    0.191347E+03 -0.753192E-08 0.100000E-04    0.904256E+00
  51    0.211038E-06    0.182930E+03 -0.115366E-08 0.100000E-04    0.858674E+00
  52   -0.344818E-06    0.174307E+03  0.197822E-08 0.100000E-04    0.827561E+00
  53   -0.678746E-06    0.172315E+03  0.393899E-08 0.100000E-04    0.887490E+00
  54   -0.421532E-06    0.168209E+03  0.250600E-08 0.100000E-04    0.939479E+00
  55    0.134033E-05    0.163253E+03 -0.821015E-08 0.100000E-04    0.991208E+00
  56    0.146573E-05    0.156887E+03 -0.934260E-08 0.100000E-04    0.976881E+00
  57    0.362448E-06    0.154894E+03 -0.233997E-08 0.100000E-04    0.884333E+00
  58   -0.129510E-05    0.152266E+03  0.850551E-08 0.100000E-04    0.994532E+00
  59    0.212746E-06    0.146701E+03 -0.145020E-08 0.100000E-04    0.819936E+00
  60   -0.228426E-06    0.143375E+03  0.159321E-08 0.100000E-04    0.534755E+00
  61   -0.559188E-06    0.138061E+03  0.405031E-08 0.100000E-04    0.743570E+00
  62    0.390233E-06    0.135872E+03 -0.287207E-08 0.100000E-04    0.826910E+00
  63    0.166528E-05    0.130309E+03 -0.127794E-07 0.100000E-04    0.883339E+00
  64   -0.204389E-06    0.128823E+03  0.158659E-08 0.100000E-04    0.721479E+00
  65    0.112892E-05    0.126879E+03 -0.889757E-08 0.100000E-04    0.881571E+00
  66    0.750647E-06    0.124140E+03 -0.604676E-08 0.100000E-04    0.932896E+00
  67   -0.183930E-05    0.119998E+03  0.153278E-07 0.100000E-04    0.951147E+00
  68    0.313556E-07    0.118166E+03 -0.265352E-09 0.100000E-04    0.882199E+00
  69   -0.348159E-07    0.116870E+03  0.297902E-09 0.100000E-04    0.557207E+00
  70   -0.138963E-05    0.110352E+03  0.125927E-07 0.100000E-04    0.947760E+00
  71    0.556533E-06    0.106853E+03 -0.520838E-08 0.100000E-04    0.898331E+00
  72   -0.770466E-06    0.104423E+03  0.737830E-08 0.100000E-04    0.832141E+00
  73    0.512699E-07    0.102842E+03 -0.498533E-09 0.100000E-04    0.503584E+00
  74    0.142552E-05    0.995311E+02 -0.143223E-07 0.100000E-04    0.902524E+00
  75    0.587587E-07    0.960961E+02 -0.611458E-09 0.100000E-04    0.357011E+00
  76    0.265544E-06    0.941169E+02 -0.282143E-08 0.100000E-04    0.892391E+00
  77   -0.317900E-05    0.919999E+02  0.345544E-07 0.100000E-04    0.949796E+00
  78   -0.403138E-06    0.912095E+02  0.441992E-08 0.100000E-04    0.834154E+00
  79    0.278293E-07    0.884470E+02 -0.314644E-09 0.100000E-04    0.498604E+00
  80    0.280780E-07    0.855888E+02 -0.328057E-09 0.100000E-04    0.586197E+00
  81   -0.797651E-06    0.808258E+02  0.986877E-08 0.100000E-04    0.909727E+00
  82   -0.787448E-06    0.804695E+02  0.978567E-08 0.100000E-04    0.870943E+00
  83   -0.114024E-05    0.779581E+02  0.146263E-07 0.100000E-04    0.896305E+00
  84   -0.199626E-07    0.732993E+02  0.272343E-09 0.109000E-04    0.936229E-01
  85    0.371757E-05    0.725900E+02 -0.512132E-07 0.100000E-04    0.982647E+00
  86    0.586100E-06    0.679278E+02 -0.862828E-08 0.100000E-04    0.536028E+00
  87    0.103019E-05    0.647768E+02 -0.159037E-07 0.100000E-04    0.835423E+00
  88    0.405024E-05    0.613823E+02 -0.659837E-07 0.100000E-04    0.947898E+00
  89   -0.311552E-05    0.598485E+02  0.520568E-07 0.100000E-04    0.987861E+00
  90    0.157550E-05    0.593923E+02 -0.265271E-07 0.100000E-04    0.695278E+00
  91    0.165193E-05    0.581433E+02 -0.284114E-07 0.100000E-04    0.788926E+00
  92    0.160251E-05    0.558693E+02 -0.286832E-07 0.100000E-04    0.802742E+00
  93   -0.280730E-05    0.524576E+02  0.535155E-07 0.100000E-04    0.941722E+00
  94   -0.505091E-06    0.520454E+02  0.970482E-08 0.100000E-04    0.908669E+00
  95    0.348202E-05    0.501982E+02 -0.693653E-07 0.100000E-04    0.982998E+00
  96   -0.198427E-05    0.462041E+02  0.429458E-07 0.100000E-04    0.943361E+00
  97    0.189976E-05    0.433255E+02 -0.438486E-07 0.100000E-04    0.798111E+00
  98    0.884719E-06    0.409019E+02 -0.216303E-07 0.100000E-04    0.543843E+00
  99   -0.362317E-05    0.378712E+02  0.956706E-07 0.100000E-04    0.936270E+00
 100   -0.130586E-05    0.362243E+02  0.360492E-07 0.100000E-04    0.870032E+00
 101   -0.996047E-05    0.323022E+02  0.308352E-06 0.100000E-04    0.909816E+00
 102    0.336691E-05    0.288789E+02 -0.116587E-06 0.100000E-04    0.799382E+00
 103   -0.340928E-06    0.284504E+02  0.119832E-07 0.100000E-04    0.565142E+00
 104   -0.576659E-05    0.262904E+02  0.219342E-06 0.100000E-04    0.846362E+00
 105   -0.442624E-05    0.233232E+02  0.189778E-06 0.100000E-04    0.871377E+00
 106   -0.597161E-05    0.213149E+02  0.280162E-06 0.100000E-04    0.955934E+00
 107   -0.205889E-04    0.198581E+02  0.103680E-05 0.100000E-04    0.910058E+00
 108    0.210330E-04    0.164732E+02 -0.127680E-05 0.100000E-04    0.907201E+00
 109   -0.892634E-05    0.139012E+02  0.642126E-06 0.100000E-04    0.990363E+00
 110    0.753697E-02    0.122386E+02 -0.236736E-04 0.236736E-04    0.216103E-01
 111    0.175228E-05    0.100912E+02 -0.173645E-06 0.100000E-04    0.924509E+00
 112    0.351288E-01    0.896359E+01 -0.100000E-04 0.100000E-04    0.634037E+00
 113    0.903207E-01    0.574281E+01 -0.176484E-04 0.176484E-04    0.543729E+00
 114    0.912524E+00    0.319120E+01  0.100000E-04 0.100000E-04    0.574843E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2367363675E-04    0.2657548212    

 Beginning of optimization cycle  540.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999716943
 potential> RMS force:                                               0.0859506973   |gradient|=.9177023211    
 Eigenvalues of the Hessian matrix:
   746.45026    674.15732    630.54346    600.85218    586.42100    578.89046 
   565.13115    487.43556    460.70280    459.82383    441.69070    429.27719 
   421.96878    408.05766    396.38041    387.57544    369.98432    360.54748 
   349.38998    335.28926    329.23986    321.85574    319.08318    309.50492 
   300.86026    290.56886    278.89133    272.70210    268.51393    264.93364 
   263.76556    253.23994    241.54016    240.76280    233.95711    227.51509 
   217.08793    214.88458    213.25898    207.64091    203.01636    195.49249 
   194.83080    191.34706    182.92967    174.30809    172.31506    168.20879 
   163.25193    156.88666    154.89407    152.26568    146.70076    143.37406 
   138.06101    135.87168    130.30908    128.82366    126.87949    124.13966 
   119.99800    118.16584    116.86968    110.35241    106.85255    104.42415 
   102.84208     99.53046     96.09609     94.11668     91.99948     91.20999 
    88.44678     85.58911     80.82606     80.46970     77.95843     73.29899 
    72.58952     67.92783     64.77660     61.38188     59.84846     59.39240 
    58.14317     55.86983     52.45732     52.04535     50.19899     46.20305 
    43.32523     40.90224     37.87115     36.22413     32.30160     28.87929 
    28.45039     26.29035     23.32375     21.31492     19.85820     16.47270 
    13.90141     12.23871     10.09127      8.96513      5.74276      3.19084 
overlap for current and previous eigenvector    109 is         0.9999999797
overlap for current and previous eigenvector    110 is         0.9999999660
overlap for current and previous eigenvector    111 is         0.9999999600
overlap for current and previous eigenvector    112 is         0.9999999527
overlap for current and previous eigenvector    113 is        -0.9999999543
overlap for current and previous eigenvector    114 is        -0.9999999848
J1,K1,R1,R2,RAT=   7   7   -0.5986545263E-01     2.059859464        0.9401345474    
FOB,PFOB,DIAG,PSTEP=   -0.3886613651E-06   -0.3667081500E-06     746.4502558        0.4912708452E-09
J1,K1,R1,R2,RAT=   8   8    0.7460631767E-01     1.925399794        0.9253936823    
FOB,PFOB,DIAG,PSTEP=   -0.3049257195E-06   -0.3295091054E-06     674.1573202        0.4887703340E-09
J1,K1,R1,R2,RAT=   9   9    0.1477034549         1.852293980        0.8522939802    
FOB,PFOB,DIAG,PSTEP=   -0.3589433633E-06   -0.4211485371E-06     630.5434559        0.6679144367E-09
J1,K1,R1,R2,RAT=  10  10   -0.2765361518         2.276540114        0.7234638482    
FOB,PFOB,DIAG,PSTEP=    0.1325735812E-06    0.1038541979E-06     600.8521828       -0.1728444951E-09
J1,K1,R1,R2,RAT=  11  11   -0.1857994123         2.185803547        0.8142005877    
FOB,PFOB,DIAG,PSTEP=   -0.1033323386E-06   -0.8714152746E-07     586.4210049        0.1485986119E-09
J1,K1,R1,R2,RAT= 109 109   -0.1381446359E-01     2.013786647        0.9861855364    
FOB,PFOB,DIAG,PSTEP=   -0.9049652479E-05   -0.8926338190E-05     13.90141195        0.6421263086E-06
J1,K1,R1,R2,RAT= 110 110     1.014355684         51.01234768        0.1435568394E-01
FOB,PFOB,DIAG,PSTEP=    0.7243077749E-02    0.7536971836E-02     12.23870877       -0.2367363675E-04
J1,K1,R1,R2,RAT= 111 111   -0.8187429987E-01     2.081859843        0.9181257001    
FOB,PFOB,DIAG,PSTEP=    0.1895752000E-05    0.1752283942E-05     10.09126568       -0.1736448791E-06
J1,K1,R1,R2,RAT= 112 112    0.3961941012         783.2793045        0.6038058988    
FOB,PFOB,DIAG,PSTEP=    0.3509326358E-01    0.3512878292E-01     8.965134926       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1782.745309       -0.4048894446        0.5951105554    
FOB,PFOB,DIAG,PSTEP=   -0.9036172061E-01    0.9032068480E-01     5.742761924       -0.1764841668E-04
J1,K1,R1,R2,RAT= 114 114    -57196.95216        0.4942072462        0.5057927538    
FOB,PFOB,DIAG,PSTEP=   -0.9125394836        0.9125237143         3.190839947        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00001     -0.00000      0.00001     -0.00002     -0.00002 
    -0.00001      0.00724      0.00000      0.03509     -0.09036     -0.91254 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3843253756
 Log product of positive Hessian eigenvalues =          519.0683639128
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1908399470
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000005
 Unscaled step for mode    9=        0.0000000006
 Unscaled step for mode   10=       -0.0000000002
 Unscaled step for mode   11=        0.0000000002
 Unscaled step for mode   12=        0.0000000016
 Unscaled step for mode   13=        0.0000000000
 Unscaled step for mode   14=       -0.0000000018
 Unscaled step for mode   15=        0.0000000003
 Unscaled step for mode   16=        0.0000000001
 Unscaled step for mode   17=        0.0000000010
 Unscaled step for mode   18=        0.0000000005
 Unscaled step for mode   19=        0.0000000000
 Unscaled step for mode   20=        0.0000000014
 Unscaled step for mode   21=        0.0000000003
 Unscaled step for mode   22=        0.0000000011
 Unscaled step for mode   23=       -0.0000000018
 Unscaled step for mode   24=        0.0000000002
 Unscaled step for mode   25=        0.0000000007
 Unscaled step for mode   26=        0.0000000007
 Unscaled step for mode   27=       -0.0000000019
 Unscaled step for mode   28=       -0.0000000000
 Unscaled step for mode   29=       -0.0000000016
 Unscaled step for mode   30=        0.0000000042
 Unscaled step for mode   31=        0.0000000025
 Unscaled step for mode   32=        0.0000000055
 Unscaled step for mode   33=       -0.0000000016
 Unscaled step for mode   34=        0.0000000017
 Unscaled step for mode   35=       -0.0000000016
 Unscaled step for mode   36=       -0.0000000080
 Unscaled step for mode   37=        0.0000000010
 Unscaled step for mode   38=       -0.0000000014
 Unscaled step for mode   39=        0.0000000024
 Unscaled step for mode   40=        0.0000000071
 Unscaled step for mode   41=        0.0000000046
 Unscaled step for mode   42=        0.0000000061
 Unscaled step for mode   43=       -0.0000000008
 Unscaled step for mode   44=        0.0000000085
 Unscaled step for mode   45=       -0.0000000023
 Unscaled step for mode   46=       -0.0000000073
 Unscaled step for mode   47=        0.0000000059
 Unscaled step for mode   48=       -0.0000000015
 Unscaled step for mode   49=       -0.0000000057
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000010
 Unscaled step for mode   52=        0.0000000016
 Unscaled step for mode   53=       -0.0000000043
 Unscaled step for mode   54=        0.0000000026
 Unscaled step for mode   55=       -0.0000000083
 Unscaled step for mode   56=        0.0000000092
 Unscaled step for mode   57=       -0.0000000021
 Unscaled step for mode   58=        0.0000000086
 Unscaled step for mode   59=       -0.0000000011
 Unscaled step for mode   60=       -0.0000000021
 Unscaled step for mode   61=        0.0000000028
 Unscaled step for mode   62=       -0.0000000023
 Unscaled step for mode   63=        0.0000000113
 Unscaled step for mode   64=        0.0000000025
 Unscaled step for mode   65=        0.0000000078
 Unscaled step for mode   66=       -0.0000000057
 Unscaled step for mode   67=        0.0000000146
 Unscaled step for mode   68=        0.0000000008
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000120
 Unscaled step for mode   71=        0.0000000047
 Unscaled step for mode   72=        0.0000000083
 Unscaled step for mode   73=       -0.0000000000
 Unscaled step for mode   74=       -0.0000000157
 Unscaled step for mode   75=       -0.0000000014
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=       -0.0000000363
 Unscaled step for mode   78=       -0.0000000035
 Unscaled step for mode   79=       -0.0000000013
 Unscaled step for mode   80=        0.0000000012
 Unscaled step for mode   81=       -0.0000000089
 Unscaled step for mode   82=       -0.0000000084
 Unscaled step for mode   83=       -0.0000000160
 Unscaled step for mode   84=       -0.0000000032
 Unscaled step for mode   85=        0.0000000508
 Unscaled step for mode   86=        0.0000000114
 Unscaled step for mode   87=       -0.0000000132
 Unscaled step for mode   88=       -0.0000000696
 Unscaled step for mode   89=        0.0000000518
 Unscaled step for mode   90=       -0.0000000330
 Unscaled step for mode   91=       -0.0000000213
 Unscaled step for mode   92=       -0.0000000219
 Unscaled step for mode   93=       -0.0000000504
 Unscaled step for mode   94=       -0.0000000103
 Unscaled step for mode   95=       -0.0000000689
 Unscaled step for mode   96=        0.0000000409
 Unscaled step for mode   97=        0.0000000336
 Unscaled step for mode   98=        0.0000000281
 Unscaled step for mode   99=        0.0000000907
 Unscaled step for mode  100=        0.0000000311
 Unscaled step for mode  101=       -0.0000002809
 Unscaled step for mode  102=       -0.0000001357
 Unscaled step for mode  103=        0.0000000025
 Unscaled step for mode  104=        0.0000002476
 Unscaled step for mode  105=        0.0000001638
 Unscaled step for mode  106=       -0.0000002689
 Unscaled step for mode  107=        0.0000009466
 Unscaled step for mode  108=        0.0000011589
 Unscaled step for mode  109=        0.0000006510
 Unscaled step for mode  110=       -0.0005918169
 Unscaled step for mode  111=       -0.0000001879
 Unscaled step for mode  112=       -0.0039143556
 Unscaled step for mode  113=        0.0157309950
 Unscaled step for mode  114=       -0.2657846678
 Largest modulus ratio of non-zero e/values=           233.9353487    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.797973E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.113028E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.243837E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.288940E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.285236E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.356345E-14    0.974275E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.388661E-06    0.746450E+03  0.520680E-09 0.100000E-04    0.940135E+00
   8   -0.304926E-06    0.674157E+03  0.452306E-09 0.100000E-04    0.925394E+00
   9   -0.358943E-06    0.630543E+03  0.569260E-09 0.100000E-04    0.852294E+00
  10    0.132574E-06    0.600852E+03 -0.220643E-09 0.100000E-04    0.723464E+00
  11   -0.103332E-06    0.586421E+03  0.176208E-09 0.100000E-04    0.814201E+00
  12   -0.911480E-06    0.578890E+03  0.157453E-08 0.100000E-04    0.941452E+00
  13   -0.219841E-07    0.565131E+03  0.389010E-10 0.100000E-04    0.740816E+00
  14    0.883965E-06    0.487436E+03 -0.181350E-08 0.100000E-04    0.981704E+00
  15   -0.131137E-06    0.460703E+03  0.284645E-09 0.100000E-04    0.742346E+00
  16   -0.620889E-07    0.459824E+03  0.135028E-09 0.100000E-04    0.716991E+00
  17   -0.451864E-06    0.441691E+03  0.102303E-08 0.100000E-04    0.902842E+00
  18   -0.234714E-06    0.429277E+03  0.546766E-09 0.100000E-04    0.856998E+00
  19   -0.196847E-07    0.421969E+03  0.466497E-10 0.100000E-04    0.324410E+01
  20   -0.588042E-06    0.408058E+03  0.144108E-08 0.100000E-04    0.985237E+00
  21   -0.111404E-06    0.396380E+03  0.281053E-09 0.100000E-04    0.686928E+00
  22   -0.423975E-06    0.387575E+03  0.109392E-08 0.100000E-04    0.933218E+00
  23    0.662449E-06    0.369984E+03 -0.179048E-08 0.100000E-04    0.916566E+00
  24   -0.719072E-07    0.360547E+03  0.199439E-09 0.100000E-04    0.654165E+00
  25   -0.235339E-06    0.349390E+03  0.673571E-09 0.100000E-04    0.825909E+00
  26   -0.229381E-06    0.335289E+03  0.684129E-09 0.100000E-04    0.628850E+00
  27    0.625834E-06    0.329240E+03 -0.190085E-08 0.100000E-04    0.970768E+00
  28    0.215597E-08    0.321856E+03 -0.669855E-11 0.109000E-04    0.328746E-01
  29    0.526006E-06    0.319083E+03 -0.164849E-08 0.100000E-04    0.717317E+00
  30   -0.128996E-05    0.309505E+03  0.416783E-08 0.100000E-04    0.941540E+00
  31   -0.741419E-06    0.300860E+03  0.246433E-08 0.100000E-04    0.919843E+00
  32   -0.161125E-05    0.290569E+03  0.554515E-08 0.100000E-04    0.989328E+00
  33    0.456089E-06    0.278891E+03 -0.163536E-08 0.100000E-04    0.808192E+00
  34   -0.463531E-06    0.272702E+03  0.169977E-08 0.100000E-04    0.813517E+00
  35    0.436225E-06    0.268514E+03 -0.162459E-08 0.100000E-04    0.831578E+00
  36    0.212488E-05    0.264934E+03 -0.802044E-08 0.100000E-04    0.983419E+00
  37   -0.254003E-06    0.263766E+03  0.962986E-09 0.100000E-04    0.825881E+00
  38    0.366123E-06    0.253240E+03 -0.144575E-08 0.100000E-04    0.882007E+00
  39   -0.579122E-06    0.241540E+03  0.239762E-08 0.100000E-04    0.884274E+00
  40   -0.171485E-05    0.240763E+03  0.712259E-08 0.100000E-04    0.994958E+00
  41   -0.107878E-05    0.233957E+03  0.461104E-08 0.100000E-04    0.989531E+00
  42   -0.139564E-05    0.227515E+03  0.613426E-08 0.100000E-04    0.930296E+00
  43    0.163705E-06    0.217088E+03 -0.754096E-09 0.100000E-04    0.840581E+00
  44   -0.183666E-05    0.214885E+03  0.854719E-08 0.100000E-04    0.960768E+00
  45    0.490112E-06    0.213259E+03 -0.229820E-08 0.100000E-04    0.960562E+00
  46    0.152148E-05    0.207641E+03 -0.732745E-08 0.100000E-04    0.985004E+00
  47   -0.119246E-05    0.203016E+03  0.587370E-08 0.100000E-04    0.989431E+00
  48    0.299228E-06    0.195492E+03 -0.153064E-08 0.100000E-04    0.114212E+01
  49    0.111243E-05    0.194831E+03 -0.570972E-08 0.100000E-04    0.981119E+00
  50    0.130906E-05    0.191347E+03 -0.684129E-08 0.100000E-04    0.908305E+00
  51    0.179252E-06    0.182930E+03 -0.979898E-09 0.100000E-04    0.849385E+00
  52   -0.277199E-06    0.174308E+03  0.159028E-08 0.100000E-04    0.803891E+00
  53    0.748778E-06    0.172315E+03 -0.434540E-08 0.100000E-04    0.896821E+00
  54   -0.444601E-06    0.168209E+03  0.264315E-08 0.100000E-04    0.945273E+00
  55    0.135784E-05    0.163252E+03 -0.831746E-08 0.100000E-04    0.986934E+00
  56   -0.143683E-05    0.156887E+03  0.915836E-08 0.100000E-04    0.980279E+00
  57    0.321168E-06    0.154894E+03 -0.207347E-08 0.100000E-04    0.886107E+00
  58   -0.130641E-05    0.152266E+03  0.857980E-08 0.100000E-04    0.991266E+00
  59    0.163614E-06    0.146701E+03 -0.111529E-08 0.100000E-04    0.769057E+00
  60    0.298238E-06    0.143374E+03 -0.208014E-08 0.100000E-04    0.694378E+00
  61   -0.384115E-06    0.138061E+03  0.278221E-08 0.100000E-04    0.686911E+00
  62    0.307956E-06    0.135872E+03 -0.226652E-08 0.100000E-04    0.789158E+00
  63   -0.146623E-05    0.130309E+03  0.112520E-07 0.100000E-04    0.880475E+00
  64   -0.322546E-06    0.128824E+03  0.250378E-08 0.100000E-04    0.421907E+00
  65   -0.993020E-06    0.126879E+03  0.782648E-08 0.100000E-04    0.879617E+00
  66    0.706003E-06    0.124140E+03 -0.568717E-08 0.100000E-04    0.940525E+00
  67   -0.175619E-05    0.119998E+03  0.146351E-07 0.100000E-04    0.954806E+00
  68   -0.982400E-07    0.118166E+03  0.831374E-09 0.100000E-04    0.113310E+01
  69   -0.103230E-07    0.116870E+03  0.883293E-10 0.100000E-04    0.296499E+00
  70   -0.132175E-05    0.110352E+03  0.119776E-07 0.100000E-04    0.951153E+00
  71   -0.497509E-06    0.106853E+03  0.465603E-08 0.100000E-04    0.893943E+00
  72   -0.863259E-06    0.104424E+03  0.826685E-08 0.100000E-04    0.879564E+00
  73    0.349606E-08    0.102842E+03 -0.339945E-10 0.109000E-04    0.681848E-01
  74    0.155992E-05    0.995305E+02 -0.156728E-07 0.100000E-04    0.905714E+00
  75    0.137035E-06    0.960961E+02 -0.142602E-08 0.100000E-04    0.332170E+00
  76    0.238270E-06    0.941167E+02 -0.253164E-08 0.100000E-04    0.897287E+00
  77    0.334288E-05    0.919995E+02 -0.363359E-07 0.100000E-04    0.948448E+00
  78    0.323417E-06    0.912100E+02 -0.354585E-08 0.100000E-04    0.802238E+00
  79    0.115011E-06    0.884468E+02 -0.130034E-08 0.100000E-04    0.213272E+01
  80   -0.104192E-06    0.855891E+02  0.121735E-08 0.100000E-04    0.171078E+01
  81    0.718885E-06    0.808261E+02 -0.889422E-08 0.100000E-04    0.901247E+00
  82    0.677892E-06    0.804697E+02 -0.842418E-08 0.100000E-04    0.860867E+00
  83    0.124858E-05    0.779584E+02 -0.160160E-07 0.100000E-04    0.904987E+00
  84    0.232324E-06    0.732990E+02 -0.316953E-08 0.100000E-04    0.963801E+01
  85   -0.368975E-05    0.725895E+02  0.508304E-07 0.100000E-04    0.992518E+00
  86   -0.771264E-06    0.679278E+02  0.113542E-07 0.100000E-04    0.684075E+00
  87    0.852867E-06    0.647766E+02 -0.131663E-07 0.100000E-04    0.827875E+00
  88    0.427192E-05    0.613819E+02 -0.695958E-07 0.100000E-04    0.945265E+00
  89   -0.310031E-05    0.598485E+02  0.518027E-07 0.100000E-04    0.995119E+00
  90    0.196169E-05    0.593924E+02 -0.330293E-07 0.100000E-04    0.754879E+00
  91    0.124031E-05    0.581432E+02 -0.213320E-07 0.100000E-04    0.750822E+00
  92    0.122358E-05    0.558698E+02 -0.219005E-07 0.100000E-04    0.763523E+00
  93    0.264415E-05    0.524573E+02 -0.504057E-07 0.100000E-04    0.941885E+00
  94    0.536847E-06    0.520454E+02 -0.103150E-07 0.100000E-04    0.937129E+00
  95    0.345840E-05    0.501990E+02 -0.688938E-07 0.100000E-04    0.993187E+00
  96   -0.189054E-05    0.462031E+02  0.409181E-07 0.100000E-04    0.952762E+00
  97   -0.145672E-05    0.433252E+02  0.336229E-07 0.100000E-04    0.766789E+00
  98   -0.115077E-05    0.409022E+02  0.281346E-07 0.100000E-04    0.699287E+00
  99   -0.343368E-05    0.378712E+02  0.906673E-07 0.100000E-04    0.947700E+00
 100   -0.112789E-05    0.362241E+02  0.311365E-07 0.100000E-04    0.863717E+00
 101    0.907286E-05    0.323016E+02 -0.280880E-06 0.100000E-04    0.910885E+00
 102    0.391929E-05    0.288793E+02 -0.135713E-06 0.100000E-04    0.835940E+00
 103   -0.701340E-07    0.284504E+02  0.246513E-08 0.100000E-04    0.205715E+00
 104   -0.651067E-05    0.262904E+02  0.247645E-06 0.100000E-04    0.870966E+00
 105   -0.382134E-05    0.233237E+02  0.163839E-06 0.100000E-04    0.863297E+00
 106    0.573230E-05    0.213149E+02 -0.268933E-06 0.100000E-04    0.959919E+00
 107   -0.187984E-04    0.198582E+02  0.946631E-06 0.100000E-04    0.913030E+00
 108   -0.190898E-04    0.164727E+02  0.115887E-05 0.100000E-04    0.907609E+00
 109   -0.904965E-05    0.139014E+02  0.650988E-06 0.100000E-04    0.986186E+00
 110    0.724308E-02    0.122387E+02 -0.258043E-04 0.258043E-04    0.143557E-01
 111    0.189575E-05    0.100913E+02 -0.187861E-06 0.100000E-04    0.918126E+00
 112    0.350933E-01    0.896513E+01 -0.100000E-04 0.100000E-04    0.603806E+00
 113   -0.903617E-01    0.574276E+01  0.158995E-04 0.158995E-04    0.595111E+00
 114   -0.912539E+00    0.319084E+01 -0.100000E-04 0.100000E-04    0.505793E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2580426405E-04    0.2657846678    

 Beginning of optimization cycle  541.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999645381
 potential> RMS force:                                               0.0859522777   |gradient|=.9177191953    
 Eigenvalues of the Hessian matrix:
   746.45220    674.15530    630.54396    600.85112    586.41979    578.88969 
   565.12897    487.43678    460.70133    459.82271    441.69068    429.27948 
   421.96714    408.05581    396.37961    387.57354    369.98530    360.54811 
   349.38947    335.28841    329.24086    321.85501    319.08400    309.50227 
   300.85967    290.57005    278.89310    272.70262    268.51448    264.93386 
   263.76732    253.24012    241.54114    240.76245    233.95808    227.51478 
   217.08870    214.88463    213.25960    207.64148    203.01641    195.49151 
   194.83062    191.34686    182.92967    174.30886    172.31561    168.20855 
   163.25131    156.88661    154.89385    152.26553    146.70044    143.37363 
   138.06139    135.87176    130.30878    128.82396    126.87990    124.13892 
   119.99825    118.16565    116.86909    110.35242    106.85174    104.42498 
   102.84255     99.52980     96.09615     94.11651     91.99903     91.21050 
    88.44659     85.58940     80.82629     80.46982     77.95878     73.29872 
    72.58910     67.92791     64.77649     61.38144     59.84841     59.39254 
    58.14302     55.87045     52.45700     52.04537     50.19974     46.20193 
    43.32483     40.90262     37.87107     36.22402     32.30095     28.87966 
    28.45039     26.29028     23.32432     21.31498     19.85827     16.47218 
    13.90162     12.23887     10.09135      8.96662      5.74268      3.19048 
overlap for current and previous eigenvector    109 is         0.9999999795
overlap for current and previous eigenvector    110 is         0.9999999589
overlap for current and previous eigenvector    111 is         0.9999999563
overlap for current and previous eigenvector    112 is         0.9999999580
overlap for current and previous eigenvector    113 is         0.9999999610
overlap for current and previous eigenvector    114 is         0.9999999884
J1,K1,R1,R2,RAT=   7   7   -0.5879637770E-01     2.058791156        0.9412036223    
FOB,PFOB,DIAG,PSTEP=   -0.4115133052E-06   -0.3886613651E-06     746.4522045        0.5206795256E-09
J1,K1,R1,R2,RAT=   8   8    0.7589035561E-01     1.924115644        0.9241096444    
FOB,PFOB,DIAG,PSTEP=   -0.2817848677E-06   -0.3049257195E-06     674.1552979        0.4523064727E-09
J1,K1,R1,R2,RAT=   9   9    0.1692409164         1.830757471        0.8307574707    
FOB,PFOB,DIAG,PSTEP=   -0.2981954106E-06   -0.3589433633E-06     630.5439644        0.5692603103E-09
J1,K1,R1,R2,RAT=  10  10   -0.2080137705         2.208017322        0.7919862295    
FOB,PFOB,DIAG,PSTEP=    0.1601506628E-06    0.1325735812E-06     600.8511159       -0.2206425890E-09
J1,K1,R1,R2,RAT=  11  11   -0.1594996377         2.159503778        0.8405003623    
FOB,PFOB,DIAG,PSTEP=   -0.1198137750E-06   -0.1033323386E-06     586.4197909        0.1762084538E-09
J1,K1,R1,R2,RAT= 109 109   -0.1822054736E-01     2.018191107        0.9817794526    
FOB,PFOB,DIAG,PSTEP=   -0.9214544528E-05   -0.9049652479E-05     13.90161659        0.6509880082E-06
J1,K1,R1,R2,RAT= 110 110     1.008535324         44.86056229        0.8535323621E-02
FOB,PFOB,DIAG,PSTEP=    0.6924567025E-02    0.7243077749E-02     12.23887415       -0.2580426405E-04
J1,K1,R1,R2,RAT= 111 111   -0.8871509826E-01     2.088697785        0.9112849017    
FOB,PFOB,DIAG,PSTEP=    0.2063935281E-05    0.1895752000E-05     10.09135303       -0.1878606769E-06
J1,K1,R1,R2,RAT= 112 112    0.4227986602         782.3307868        0.5772013398    
FOB,PFOB,DIAG,PSTEP=    0.3505535284E-01    0.3509326358E-01     8.966618418       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.3397834773         1979.666311        0.6602165227    
FOB,PFOB,DIAG,PSTEP=   -0.9039274472E-01   -0.9036172061E-01     5.742675442        0.1589947449E-04
J1,K1,R1,R2,RAT= 114 114    0.5587474855        -57204.41630        0.4412525145    
FOB,PFOB,DIAG,PSTEP=   -0.9125573104       -0.9125394836         3.190482330       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000     -0.00001     -0.00000      0.00001     -0.00002     -0.00002 
    -0.00001      0.00692      0.00000      0.03506     -0.09039     -0.91256 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3842835712
 Log product of positive Hessian eigenvalues =          519.0684005535
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1904823300
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=        0.0000000005
 Unscaled step for mode   10=       -0.0000000003
 Unscaled step for mode   11=        0.0000000002
 Unscaled step for mode   12=        0.0000000015
 Unscaled step for mode   13=        0.0000000000
 Unscaled step for mode   14=       -0.0000000019
 Unscaled step for mode   15=        0.0000000002
 Unscaled step for mode   16=        0.0000000001
 Unscaled step for mode   17=        0.0000000009
 Unscaled step for mode   18=        0.0000000005
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000014
 Unscaled step for mode   21=        0.0000000002
 Unscaled step for mode   22=        0.0000000010
 Unscaled step for mode   23=       -0.0000000016
 Unscaled step for mode   24=        0.0000000001
 Unscaled step for mode   25=        0.0000000008
 Unscaled step for mode   26=        0.0000000009
 Unscaled step for mode   27=       -0.0000000019
 Unscaled step for mode   28=       -0.0000000002
 Unscaled step for mode   29=       -0.0000000020
 Unscaled step for mode   30=        0.0000000039
 Unscaled step for mode   31=        0.0000000023
 Unscaled step for mode   32=        0.0000000055
 Unscaled step for mode   33=       -0.0000000019
 Unscaled step for mode   34=        0.0000000020
 Unscaled step for mode   35=       -0.0000000013
 Unscaled step for mode   36=       -0.0000000082
 Unscaled step for mode   37=        0.0000000008
 Unscaled step for mode   38=       -0.0000000016
 Unscaled step for mode   39=        0.0000000026
 Unscaled step for mode   40=        0.0000000072
 Unscaled step for mode   41=        0.0000000047
 Unscaled step for mode   42=        0.0000000057
 Unscaled step for mode   43=       -0.0000000009
 Unscaled step for mode   44=        0.0000000082
 Unscaled step for mode   45=       -0.0000000022
 Unscaled step for mode   46=       -0.0000000075
 Unscaled step for mode   47=        0.0000000060
 Unscaled step for mode   48=       -0.0000000026
 Unscaled step for mode   49=       -0.0000000056
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000008
 Unscaled step for mode   52=        0.0000000012
 Unscaled step for mode   53=       -0.0000000048
 Unscaled step for mode   54=        0.0000000028
 Unscaled step for mode   55=       -0.0000000085
 Unscaled step for mode   56=        0.0000000090
 Unscaled step for mode   57=       -0.0000000018
 Unscaled step for mode   58=        0.0000000087
 Unscaled step for mode   59=       -0.0000000008
 Unscaled step for mode   60=       -0.0000000026
 Unscaled step for mode   61=        0.0000000016
 Unscaled step for mode   62=       -0.0000000017
 Unscaled step for mode   63=        0.0000000099
 Unscaled step for mode   64=        0.0000000033
 Unscaled step for mode   65=        0.0000000069
 Unscaled step for mode   66=       -0.0000000054
 Unscaled step for mode   67=        0.0000000140
 Unscaled step for mode   68=        0.0000000014
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=        0.0000000114
 Unscaled step for mode   71=        0.0000000041
 Unscaled step for mode   72=        0.0000000090
 Unscaled step for mode   73=        0.0000000004
 Unscaled step for mode   74=       -0.0000000171
 Unscaled step for mode   75=       -0.0000000021
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=       -0.0000000382
 Unscaled step for mode   78=        0.0000000027
 Unscaled step for mode   79=       -0.0000000023
 Unscaled step for mode   80=        0.0000000021
 Unscaled step for mode   81=       -0.0000000079
 Unscaled step for mode   82=       -0.0000000071
 Unscaled step for mode   83=       -0.0000000174
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=        0.0000000509
 Unscaled step for mode   86=        0.0000000141
 Unscaled step for mode   87=       -0.0000000108
 Unscaled step for mode   88=       -0.0000000735
 Unscaled step for mode   89=        0.0000000519
 Unscaled step for mode   90=       -0.0000000399
 Unscaled step for mode   91=       -0.0000000147
 Unscaled step for mode   92=       -0.0000000153
 Unscaled step for mode   93=       -0.0000000475
 Unscaled step for mode   94=       -0.0000000108
 Unscaled step for mode   95=       -0.0000000691
 Unscaled step for mode   96=        0.0000000394
 Unscaled step for mode   97=        0.0000000241
 Unscaled step for mode   98=        0.0000000345
 Unscaled step for mode   99=        0.0000000871
 Unscaled step for mode  100=        0.0000000267
 Unscaled step for mode  101=       -0.0000002562
 Unscaled step for mode  102=       -0.0000001547
 Unscaled step for mode  103=       -0.0000000075
 Unscaled step for mode  104=        0.0000002752
 Unscaled step for mode  105=        0.0000001398
 Unscaled step for mode  106=       -0.0000002590
 Unscaled step for mode  107=        0.0000008677
 Unscaled step for mode  108=        0.0000010522
 Unscaled step for mode  109=        0.0000006628
 Unscaled step for mode  110=       -0.0005657845
 Unscaled step for mode  111=       -0.0000002045
 Unscaled step for mode  112=       -0.0039094802
 Unscaled step for mode  113=        0.0157366302
 Unscaled step for mode  114=       -0.2658150347
 Largest modulus ratio of non-zero e/values=           233.9621811    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.141814E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.190505E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.359630E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.816729E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.339820E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.358235E-14    0.974275E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.411513E-06    0.746452E+03  0.551292E-09 0.100000E-04    0.941204E+00
   8   -0.281785E-06    0.674155E+03  0.417982E-09 0.100000E-04    0.924110E+00
   9   -0.298195E-06    0.630544E+03  0.472918E-09 0.100000E-04    0.830757E+00
  10    0.160151E-06    0.600851E+03 -0.266540E-09 0.100000E-04    0.791986E+00
  11   -0.119814E-06    0.586420E+03  0.204314E-09 0.100000E-04    0.840500E+00
  12   -0.859678E-06    0.578890E+03  0.148505E-08 0.100000E-04    0.943167E+00
  13   -0.274502E-07    0.565129E+03  0.485733E-10 0.100000E-04    0.751364E+00
  14    0.906047E-06    0.487437E+03 -0.185880E-08 0.100000E-04    0.975020E+00
  15   -0.863961E-07    0.460701E+03  0.187532E-09 0.100000E-04    0.658824E+00
  16   -0.399643E-07    0.459823E+03  0.869125E-10 0.100000E-04    0.643663E+00
  17   -0.407975E-06    0.441691E+03  0.923667E-09 0.100000E-04    0.902872E+00
  18   -0.197164E-06    0.429279E+03  0.459290E-09 0.100000E-04    0.840006E+00
  19   -0.311967E-07    0.421967E+03  0.739317E-10 0.100000E-04    0.415177E+00
  20   -0.583696E-06    0.408056E+03  0.143043E-08 0.100000E-04    0.992609E+00
  21   -0.620045E-07    0.396380E+03  0.156427E-09 0.100000E-04    0.556574E+00
  22   -0.393113E-06    0.387574E+03  0.101429E-08 0.100000E-04    0.927209E+00
  23    0.607070E-06    0.369985E+03 -0.164080E-08 0.100000E-04    0.916398E+00
  24   -0.320275E-07    0.360548E+03  0.888300E-10 0.100000E-04    0.445398E+00
  25   -0.268063E-06    0.349389E+03  0.767232E-09 0.100000E-04    0.860950E+00
  26   -0.285349E-06    0.335288E+03  0.851055E-09 0.100000E-04    0.756004E+00
  27    0.614245E-06    0.329241E+03 -0.186564E-08 0.100000E-04    0.981475E+00
  28    0.674679E-07    0.321855E+03 -0.209622E-09 0.100000E-04    0.292937E+02
  29    0.636100E-06    0.319084E+03 -0.199352E-08 0.100000E-04    0.790699E+00
  30   -0.121847E-05    0.309502E+03  0.393687E-08 0.100000E-04    0.944575E+00
  31   -0.680296E-06    0.300860E+03  0.226117E-08 0.100000E-04    0.917559E+00
  32   -0.160235E-05    0.290570E+03  0.551452E-08 0.100000E-04    0.994471E+00
  33    0.527340E-06    0.278893E+03 -0.189083E-08 0.100000E-04    0.843780E+00
  34   -0.533063E-06    0.272703E+03  0.195474E-08 0.100000E-04    0.849995E+00
  35    0.347831E-06    0.268514E+03 -0.129539E-08 0.100000E-04    0.797362E+00
  36    0.216897E-05    0.264934E+03 -0.818684E-08 0.100000E-04    0.979252E+00
  37   -0.204645E-06    0.263767E+03  0.775856E-09 0.100000E-04    0.805671E+00
  38    0.409160E-06    0.253240E+03 -0.161570E-08 0.100000E-04    0.882451E+00
  39   -0.636956E-06    0.241541E+03  0.263705E-08 0.100000E-04    0.900135E+00
  40   -0.172786E-05    0.240762E+03  0.717662E-08 0.100000E-04    0.992415E+00
  41   -0.108840E-05    0.233958E+03  0.465213E-08 0.100000E-04    0.991084E+00
  42   -0.129862E-05    0.227515E+03  0.570783E-08 0.100000E-04    0.930482E+00
  43    0.186789E-06    0.217089E+03 -0.860427E-09 0.100000E-04    0.858992E+00
  44   -0.176766E-05    0.214885E+03  0.822610E-08 0.100000E-04    0.962432E+00
  45    0.468678E-06    0.213260E+03 -0.219769E-08 0.100000E-04    0.956263E+00
  46    0.154794E-05    0.207641E+03 -0.745486E-08 0.100000E-04    0.982608E+00
  47   -0.121024E-05    0.203016E+03  0.596129E-08 0.100000E-04    0.985088E+00
  48    0.502478E-06    0.195492E+03 -0.257033E-08 0.100000E-04    0.320750E+00
  49    0.109664E-05    0.194831E+03 -0.562870E-08 0.100000E-04    0.985810E+00
  50    0.119508E-05    0.191347E+03 -0.624564E-08 0.100000E-04    0.912933E+00
  51    0.150765E-06    0.182930E+03 -0.824167E-09 0.100000E-04    0.841075E+00
  52   -0.213368E-06    0.174309E+03  0.122408E-08 0.100000E-04    0.769721E+00
  53    0.821450E-06    0.172316E+03 -0.476713E-08 0.100000E-04    0.902946E+00
  54   -0.468454E-06    0.168209E+03  0.278496E-08 0.100000E-04    0.946349E+00
  55    0.138091E-05    0.163251E+03 -0.845883E-08 0.100000E-04    0.983008E+00
  56   -0.141264E-05    0.156887E+03  0.900420E-08 0.100000E-04    0.983167E+00
  57    0.285027E-06    0.154894E+03 -0.184014E-08 0.100000E-04    0.887470E+00
  58   -0.132254E-05    0.152266E+03  0.868574E-08 0.100000E-04    0.987654E+00
  59    0.111814E-06    0.146700E+03 -0.762193E-09 0.100000E-04    0.683402E+00
  60    0.367109E-06    0.143374E+03 -0.256050E-08 0.100000E-04    0.769074E+00
  61   -0.223075E-06    0.138061E+03  0.161577E-08 0.100000E-04    0.580746E+00
  62    0.224745E-06    0.135872E+03 -0.165410E-08 0.100000E-04    0.729795E+00
  63   -0.128489E-05    0.130309E+03  0.986038E-08 0.100000E-04    0.876323E+00
  64   -0.430877E-06    0.128824E+03  0.334469E-08 0.100000E-04    0.664138E+00
  65   -0.870109E-06    0.126880E+03  0.685774E-08 0.100000E-04    0.876220E+00
  66    0.669899E-06    0.124139E+03 -0.539636E-08 0.100000E-04    0.948861E+00
  67   -0.168162E-05    0.119998E+03  0.140137E-07 0.100000E-04    0.957537E+00
  68   -0.165878E-06    0.118166E+03  0.140377E-08 0.100000E-04    0.311502E+00
  69    0.112709E-07    0.116869E+03 -0.964408E-10 0.100000E-04    0.908173E+00
  70   -0.126189E-05    0.110352E+03  0.114351E-07 0.100000E-04    0.954709E+00
  71   -0.442487E-06    0.106852E+03  0.414113E-08 0.100000E-04    0.889403E+00
  72   -0.938817E-06    0.104425E+03  0.899035E-08 0.100000E-04    0.912474E+00
  73   -0.412767E-07    0.102843E+03  0.401359E-09 0.100000E-04    0.980659E+01
  74    0.170285E-05    0.995298E+02 -0.171090E-07 0.100000E-04    0.908373E+00
  75    0.201625E-06    0.960962E+02 -0.209816E-08 0.100000E-04    0.528665E+00
  76    0.215046E-06    0.941165E+02 -0.228490E-08 0.100000E-04    0.902533E+00
  77    0.351697E-05    0.919990E+02 -0.382283E-07 0.100000E-04    0.947922E+00
  78   -0.243687E-06    0.912105E+02  0.267170E-08 0.100000E-04    0.753468E+00
  79    0.205001E-06    0.884466E+02 -0.231780E-08 0.100000E-04    0.217541E+00
  80   -0.180287E-06    0.855894E+02  0.210642E-08 0.100000E-04    0.269662E+00
  81    0.638699E-06    0.808263E+02 -0.790212E-08 0.100000E-04    0.888453E+00
  82    0.573056E-06    0.804698E+02 -0.712138E-08 0.100000E-04    0.845348E+00
  83    0.135852E-05    0.779588E+02 -0.174261E-07 0.100000E-04    0.911951E+00
  84    0.426495E-06    0.732987E+02 -0.581859E-08 0.109000E-04    0.164216E+00
  85   -0.369691E-05    0.725891E+02  0.509293E-07 0.100000E-04    0.998059E+00
  86   -0.956418E-06    0.679279E+02  0.140799E-07 0.100000E-04    0.759934E+00
  87    0.699190E-06    0.647765E+02 -0.107939E-07 0.100000E-04    0.819811E+00
  88    0.451379E-05    0.613814E+02 -0.735367E-07 0.100000E-04    0.943383E+00
  89   -0.310384E-05    0.598484E+02  0.518616E-07 0.100000E-04    0.998864E+00
  90    0.236991E-05    0.593925E+02 -0.399024E-07 0.100000E-04    0.791907E+00
  91    0.853812E-06    0.581430E+02 -0.146847E-07 0.100000E-04    0.688387E+00
  92    0.855854E-06    0.558704E+02 -0.153185E-07 0.100000E-04    0.699449E+00
  93    0.249055E-05    0.524570E+02 -0.474780E-07 0.100000E-04    0.941910E+00
  94    0.560771E-06    0.520454E+02 -0.107747E-07 0.100000E-04    0.955435E+00
  95    0.346767E-05    0.501997E+02 -0.690774E-07 0.100000E-04    0.997320E+00
  96   -0.182028E-05    0.462019E+02  0.393984E-07 0.100000E-04    0.962834E+00
  97   -0.104272E-05    0.433248E+02  0.240674E-07 0.100000E-04    0.715794E+00
  98   -0.141140E-05    0.409026E+02  0.345063E-07 0.100000E-04    0.773518E+00
  99   -0.329805E-05    0.378711E+02  0.870863E-07 0.100000E-04    0.960501E+00
 100   -0.966192E-06    0.362240E+02  0.266727E-07 0.100000E-04    0.856635E+00
 101    0.827477E-05    0.323009E+02 -0.256177E-06 0.100000E-04    0.912034E+00
 102    0.446903E-05    0.288797E+02 -0.154747E-06 0.100000E-04    0.859737E+00
 103    0.212069E-06    0.284504E+02 -0.745401E-08 0.100000E-04    0.102377E+01
 104   -0.723380E-05    0.262903E+02  0.275151E-06 0.100000E-04    0.888931E+00
 105   -0.326095E-05    0.233243E+02  0.139809E-06 0.100000E-04    0.853305E+00
 106    0.551983E-05    0.213150E+02 -0.258965E-06 0.100000E-04    0.962931E+00
 107   -0.172315E-04    0.198583E+02  0.867725E-06 0.100000E-04    0.916643E+00
 108   -0.173326E-04    0.164722E+02  0.105223E-05 0.100000E-04    0.907950E+00
 109   -0.921454E-05    0.139016E+02  0.662840E-06 0.100000E-04    0.981779E+00
 110    0.692457E-02    0.122389E+02 -0.281266E-04 0.281266E-04    0.853532E-02
 111    0.206394E-05    0.100914E+02 -0.204525E-06 0.100000E-04    0.911285E+00
 112    0.350554E-01    0.896662E+01 -0.100000E-04 0.100000E-04    0.577201E+00
 113   -0.903927E-01    0.574268E+01  0.143239E-04 0.143239E-04    0.660217E+00
 114   -0.912557E+00    0.319048E+01 -0.100000E-04 0.100000E-04    0.441253E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2812664782E-04    0.2658150347    

 Beginning of optimization cycle  542.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999572466
 potential> RMS force:                                               0.0859539324   |gradient|=.9177368628    
 Eigenvalues of the Hessian matrix:
   746.45387    674.15329    630.54417    600.85018    586.41856    578.88881 
   565.12708    487.43819    460.69987    459.82156    441.69075    429.28178 
   421.96542    408.05398    396.37879    387.57161    369.98632    360.54876 
   349.38898    335.28740    329.24185    321.85426    319.08477    309.49953 
   300.85907    290.57134    278.89483    272.70314    268.51504    264.93405 
   263.76915    253.24037    241.54216    240.76200    233.95903    227.51437 
   217.08943    214.88467    213.26031    207.64205    203.01652    195.49054 
   194.83036    191.34658    182.92958    174.30960    172.31618    168.20825 
   163.25067    156.88659    154.89355    152.26538    146.70015    143.37323 
   138.06174    135.87184    130.30850    128.82425    126.88033    124.13826 
   119.99850    118.16543    116.86851    110.35241    106.85088    104.42586 
   102.84305     99.52910     96.09626     94.11635     91.99859     91.21102 
    88.44643     85.58967     80.82654     80.46986     77.95918     73.29846 
    72.58872     67.92805     64.77643     61.38101     59.84839     59.39269 
    58.14287     55.87115     52.45668     52.04545     50.20049     46.20075 
    43.32432     40.90303     37.87100     36.22397     32.30028     28.88002 
    28.45039     26.29017     23.32495     21.31502     19.85834     16.47162 
    13.90183     12.23905     10.09146      8.96805      5.74255      3.19012 
overlap for current and previous eigenvector    109 is         0.9999999788
overlap for current and previous eigenvector    110 is         0.9999999505
overlap for current and previous eigenvector    111 is         0.9999999512
overlap for current and previous eigenvector    112 is         0.9999999623
overlap for current and previous eigenvector    113 is         0.9999999666
overlap for current and previous eigenvector    114 is         0.9999999913
J1,K1,R1,R2,RAT=   7   7   -0.5808962517E-01     2.058085160        0.9419103748    
FOB,PFOB,DIAG,PSTEP=   -0.4354180122E-06   -0.4115133052E-06     746.4538709        0.5512922363E-09
J1,K1,R1,R2,RAT=   8   8    0.7770667109E-01     1.922299286        0.9222933289    
FOB,PFOB,DIAG,PSTEP=   -0.2598883688E-06   -0.2817848677E-06     674.1532898        0.4179821304E-09
J1,K1,R1,R2,RAT=   9   9    0.2007750741         1.799224277        0.7992242766    
FOB,PFOB,DIAG,PSTEP=   -0.2383251855E-06   -0.2981954106E-06     630.5441691        0.4729177146E-09
J1,K1,R1,R2,RAT=  10  10   -0.1666285120         2.166631629        0.8333714880    
FOB,PFOB,DIAG,PSTEP=    0.1868362878E-06    0.1601506628E-06     600.8501796       -0.2665396777E-09
J1,K1,R1,R2,RAT=  11  11   -0.1412965499         2.141300740        0.8587034501    
FOB,PFOB,DIAG,PSTEP=   -0.1367430126E-06   -0.1198137750E-06     586.4185625        0.2043140032E-09
J1,K1,R1,R2,RAT= 109 109   -0.2262305706E-01     2.022591832        0.9773769429    
FOB,PFOB,DIAG,PSTEP=   -0.9423008949E-05   -0.9214544528E-05     13.90183363        0.6628397833E-06
J1,K1,R1,R2,RAT= 110 110     1.003885903         39.22674076        0.3885902604E-02
FOB,PFOB,DIAG,PSTEP=    0.6578985770E-02    0.6924567025E-02     12.23905387       -0.2812664782E-04
J1,K1,R1,R2,RAT= 111 111   -0.9527977653E-01     2.095259414        0.9047202235    
FOB,PFOB,DIAG,PSTEP=    0.2260588576E-05    0.2063935281E-05     10.09145578       -0.2045251290E-06
J1,K1,R1,R2,RAT= 112 112    0.4460844156         781.3370564        0.5539155844    
FOB,PFOB,DIAG,PSTEP=    0.3501534776E-01    0.3505535284E-01     8.968050347       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.2577077377         2198.111233        0.7422922623    
FOB,PFOB,DIAG,PSTEP=   -0.9041394259E-01   -0.9039274472E-01     5.742553264        0.1432385089E-04
J1,K1,R1,R2,RAT= 114 114    0.6194194396        -57212.03367        0.3805805604    
FOB,PFOB,DIAG,PSTEP=   -0.9125770706       -0.9125573104         3.190123238       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00001 
     0.00000     -0.00001     -0.00000      0.00001     -0.00002     -0.00002 
    -0.00001      0.00658      0.00000      0.03502     -0.09041     -0.91258 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3842393707
 Log product of positive Hessian eigenvalues =          519.0684305206
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1901232378
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=        0.0000000004
 Unscaled step for mode   10=       -0.0000000003
 Unscaled step for mode   11=        0.0000000002
 Unscaled step for mode   12=        0.0000000014
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000019
 Unscaled step for mode   15=        0.0000000001
 Unscaled step for mode   16=        0.0000000000
 Unscaled step for mode   17=        0.0000000008
 Unscaled step for mode   18=        0.0000000004
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000014
 Unscaled step for mode   21=        0.0000000000
 Unscaled step for mode   22=        0.0000000009
 Unscaled step for mode   23=       -0.0000000015
 Unscaled step for mode   24=       -0.0000000000
 Unscaled step for mode   25=        0.0000000009
 Unscaled step for mode   26=        0.0000000010
 Unscaled step for mode   27=       -0.0000000019
 Unscaled step for mode   28=       -0.0000000004
 Unscaled step for mode   29=       -0.0000000023
 Unscaled step for mode   30=        0.0000000037
 Unscaled step for mode   31=        0.0000000021
 Unscaled step for mode   32=        0.0000000055
 Unscaled step for mode   33=       -0.0000000021
 Unscaled step for mode   34=        0.0000000022
 Unscaled step for mode   35=       -0.0000000010
 Unscaled step for mode   36=       -0.0000000084
 Unscaled step for mode   37=        0.0000000006
 Unscaled step for mode   38=       -0.0000000018
 Unscaled step for mode   39=        0.0000000029
 Unscaled step for mode   40=        0.0000000072
 Unscaled step for mode   41=        0.0000000047
 Unscaled step for mode   42=        0.0000000053
 Unscaled step for mode   43=       -0.0000000010
 Unscaled step for mode   44=        0.0000000079
 Unscaled step for mode   45=       -0.0000000021
 Unscaled step for mode   46=       -0.0000000076
 Unscaled step for mode   47=        0.0000000061
 Unscaled step for mode   48=       -0.0000000036
 Unscaled step for mode   49=       -0.0000000056
 Unscaled step for mode   50=       -0.0000000057
 Unscaled step for mode   51=       -0.0000000007
 Unscaled step for mode   52=        0.0000000009
 Unscaled step for mode   53=       -0.0000000052
 Unscaled step for mode   54=        0.0000000029
 Unscaled step for mode   55=       -0.0000000086
 Unscaled step for mode   56=        0.0000000089
 Unscaled step for mode   57=       -0.0000000016
 Unscaled step for mode   58=        0.0000000088
 Unscaled step for mode   59=       -0.0000000004
 Unscaled step for mode   60=       -0.0000000030
 Unscaled step for mode   61=        0.0000000005
 Unscaled step for mode   62=       -0.0000000010
 Unscaled step for mode   63=        0.0000000086
 Unscaled step for mode   64=        0.0000000041
 Unscaled step for mode   65=        0.0000000060
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=        0.0000000135
 Unscaled step for mode   68=        0.0000000020
 Unscaled step for mode   69=       -0.0000000003
 Unscaled step for mode   70=        0.0000000110
 Unscaled step for mode   71=        0.0000000037
 Unscaled step for mode   72=        0.0000000096
 Unscaled step for mode   73=        0.0000000008
 Unscaled step for mode   74=       -0.0000000186
 Unscaled step for mode   75=       -0.0000000026
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=       -0.0000000402
 Unscaled step for mode   78=        0.0000000018
 Unscaled step for mode   79=       -0.0000000034
 Unscaled step for mode   80=        0.0000000030
 Unscaled step for mode   81=       -0.0000000069
 Unscaled step for mode   82=       -0.0000000059
 Unscaled step for mode   83=       -0.0000000189
 Unscaled step for mode   84=       -0.0000000082
 Unscaled step for mode   85=        0.0000000515
 Unscaled step for mode   86=        0.0000000168
 Unscaled step for mode   87=       -0.0000000088
 Unscaled step for mode   88=       -0.0000000778
 Unscaled step for mode   89=        0.0000000522
 Unscaled step for mode   90=       -0.0000000472
 Unscaled step for mode   91=       -0.0000000084
 Unscaled step for mode   92=       -0.0000000089
 Unscaled step for mode   93=       -0.0000000447
 Unscaled step for mode   94=       -0.0000000111
 Unscaled step for mode   95=       -0.0000000699
 Unscaled step for mode   96=        0.0000000384
 Unscaled step for mode   97=        0.0000000151
 Unscaled step for mode   98=        0.0000000408
 Unscaled step for mode   99=        0.0000000849
 Unscaled step for mode  100=        0.0000000226
 Unscaled step for mode  101=       -0.0000002340
 Unscaled step for mode  102=       -0.0000001739
 Unscaled step for mode  103=       -0.0000000179
 Unscaled step for mode  104=        0.0000003021
 Unscaled step for mode  105=        0.0000001174
 Unscaled step for mode  106=       -0.0000002501
 Unscaled step for mode  107=        0.0000007992
 Unscaled step for mode  108=        0.0000009557
 Unscaled step for mode  109=        0.0000006778
 Unscaled step for mode  110=       -0.0005375402
 Unscaled step for mode  111=       -0.0000002240
 Unscaled step for mode  112=       -0.0039043953
 Unscaled step for mode  113=        0.0157406535
 Unscaled step for mode  114=       -0.2658460025
 Largest modulus ratio of non-zero e/values=           233.9890391    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.998117E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.136160E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.157684E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.887962E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.691886E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.292643E-14    0.974276E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.435418E-06    0.746454E+03  0.583315E-09 0.100000E-04    0.941910E+00
   8   -0.259888E-06    0.674153E+03  0.385503E-09 0.100000E-04    0.922293E+00
   9   -0.238325E-06    0.630544E+03  0.377967E-09 0.100000E-04    0.799224E+00
  10    0.186836E-06    0.600850E+03 -0.310953E-09 0.100000E-04    0.833371E+00
  11   -0.136743E-06    0.586419E+03  0.233183E-09 0.100000E-04    0.858703E+00
  12   -0.812191E-06    0.578889E+03  0.140302E-08 0.100000E-04    0.944762E+00
  13   -0.338993E-07    0.565127E+03  0.599853E-10 0.100000E-04    0.765059E+00
  14    0.934453E-06    0.487438E+03 -0.191707E-08 0.100000E-04    0.968648E+00
  15   -0.420478E-07    0.460700E+03  0.912694E-10 0.100000E-04    0.486685E+00
  16   -0.199470E-07    0.459822E+03  0.433798E-10 0.100000E-04    0.499118E+00
  17   -0.368338E-06    0.441691E+03  0.833927E-09 0.100000E-04    0.902844E+00
  18   -0.160861E-06    0.429282E+03  0.374721E-09 0.100000E-04    0.815865E+00
  19   -0.384520E-07    0.421965E+03  0.911259E-10 0.100000E-04    0.767435E+00
  20   -0.583704E-06    0.408054E+03  0.143046E-08 0.100000E-04    0.999986E+00
  21   -0.135638E-07    0.396379E+03  0.342192E-10 0.100000E-04    0.218753E+00
  22   -0.361468E-06    0.387572E+03  0.932648E-09 0.100000E-04    0.919500E+00
  23    0.556001E-06    0.369986E+03 -0.150276E-08 0.100000E-04    0.915871E+00
  24    0.100465E-07    0.360549E+03 -0.278644E-10 0.100000E-04    0.313680E+00
  25   -0.298892E-06    0.349389E+03  0.855470E-09 0.100000E-04    0.884992E+00
  26   -0.335730E-06    0.335287E+03  0.100132E-08 0.100000E-04    0.823441E+00
  27    0.609646E-06    0.329242E+03 -0.185167E-08 0.100000E-04    0.992508E+00
  28    0.130993E-06    0.321854E+03 -0.406995E-09 0.109000E-04    0.584384E-01
  29    0.741399E-06    0.319085E+03 -0.232352E-08 0.100000E-04    0.834461E+00
  30   -0.115474E-05    0.309500E+03  0.373101E-08 0.100000E-04    0.947701E+00
  31   -0.622035E-06    0.300859E+03  0.206753E-08 0.100000E-04    0.914360E+00
  32   -0.160166E-05    0.290571E+03  0.551209E-08 0.100000E-04    0.999556E+00
  33    0.597100E-06    0.278895E+03 -0.214095E-08 0.100000E-04    0.867713E+00
  34   -0.599902E-06    0.272703E+03  0.219983E-08 0.100000E-04    0.874615E+00
  35    0.258558E-06    0.268515E+03 -0.962917E-09 0.100000E-04    0.743340E+00
  36    0.222265E-05    0.264934E+03 -0.838944E-08 0.100000E-04    0.975252E+00
  37   -0.159028E-06    0.263769E+03  0.602906E-09 0.100000E-04    0.777078E+00
  38    0.456879E-06    0.253240E+03 -0.180413E-08 0.100000E-04    0.883374E+00
  39   -0.693108E-06    0.241542E+03  0.286951E-08 0.100000E-04    0.911843E+00
  40   -0.174526E-05    0.240762E+03  0.724890E-08 0.100000E-04    0.989930E+00
  41   -0.109649E-05    0.233959E+03  0.468669E-08 0.100000E-04    0.992567E+00
  42   -0.120815E-05    0.227514E+03  0.531022E-08 0.100000E-04    0.930337E+00
  43    0.210611E-06    0.217089E+03 -0.970157E-09 0.100000E-04    0.872467E+00
  44   -0.170392E-05    0.214885E+03  0.792948E-08 0.100000E-04    0.963942E+00
  45    0.445733E-06    0.213260E+03 -0.209009E-08 0.100000E-04    0.951036E+00
  46    0.157849E-05    0.207642E+03 -0.760195E-08 0.100000E-04    0.980266E+00
  47   -0.123335E-05    0.203017E+03  0.607514E-08 0.100000E-04    0.980901E+00
  48    0.706772E-06    0.195491E+03 -0.361537E-08 0.100000E-04    0.593425E+00
  49    0.108625E-05    0.194830E+03 -0.557538E-08 0.100000E-04    0.990525E+00
  50    0.109807E-05    0.191347E+03 -0.573864E-08 0.100000E-04    0.918821E+00
  51    0.125197E-06    0.182930E+03 -0.684397E-09 0.100000E-04    0.830410E+00
  52   -0.152667E-06    0.174310E+03  0.875838E-09 0.100000E-04    0.715502E+00
  53    0.897330E-06    0.172316E+03 -0.520746E-08 0.100000E-04    0.907628E+00
  54   -0.493273E-06    0.168208E+03  0.293251E-08 0.100000E-04    0.947020E+00
  55    0.140961E-05    0.163251E+03 -0.863462E-08 0.100000E-04    0.979222E+00
  56   -0.139283E-05    0.156887E+03  0.887791E-08 0.100000E-04    0.985974E+00
  57    0.253661E-06    0.154894E+03 -0.163765E-08 0.100000E-04    0.889957E+00
  58   -0.134353E-05    0.152265E+03  0.882358E-08 0.100000E-04    0.984131E+00
  59    0.569326E-07    0.146700E+03 -0.388089E-09 0.100000E-04    0.509171E+00
  60    0.435653E-06    0.143373E+03 -0.303859E-08 0.100000E-04    0.813287E+00
  61   -0.744508E-07    0.138062E+03  0.539257E-09 0.100000E-04    0.333745E+00
  62    0.139822E-06    0.135872E+03 -0.102908E-08 0.100000E-04    0.622137E+00
  63   -0.111942E-05    0.130309E+03  0.859057E-08 0.100000E-04    0.871218E+00
  64   -0.530455E-06    0.128824E+03  0.411767E-08 0.100000E-04    0.768893E+00
  65   -0.758951E-06    0.126880E+03  0.598163E-08 0.100000E-04    0.872242E+00
  66    0.641911E-06    0.124138E+03 -0.517094E-08 0.100000E-04    0.958221E+00
  67   -0.161472E-05    0.119998E+03  0.134562E-07 0.100000E-04    0.960215E+00
  68   -0.234854E-06    0.118165E+03  0.198750E-08 0.100000E-04    0.584177E+00
  69    0.301780E-07    0.116869E+03 -0.258222E-09 0.100000E-04    0.677510E+00
  70   -0.120935E-05    0.110352E+03  0.109590E-07 0.100000E-04    0.958361E+00
  71   -0.390881E-06    0.106851E+03  0.365819E-08 0.100000E-04    0.883373E+00
  72   -0.998026E-06    0.104426E+03  0.955727E-08 0.100000E-04    0.936933E+00
  73   -0.834292E-07    0.102843E+03  0.811229E-09 0.109000E-04    0.212119E-01
  74    0.185543E-05    0.995291E+02 -0.186421E-07 0.100000E-04    0.910398E+00
  75    0.253171E-06    0.960963E+02 -0.263456E-08 0.100000E-04    0.744346E+00
  76    0.195673E-06    0.941163E+02 -0.207905E-08 0.100000E-04    0.909909E+00
  77    0.370249E-05    0.919986E+02 -0.402451E-07 0.100000E-04    0.947249E+00
  78   -0.163252E-06    0.912110E+02  0.178983E-08 0.100000E-04    0.669914E+00
  79    0.298563E-06    0.884464E+02 -0.337564E-08 0.100000E-04    0.543601E+00
  80   -0.257036E-06    0.855897E+02  0.300312E-08 0.100000E-04    0.574294E+00
  81    0.556364E-06    0.808265E+02 -0.688343E-08 0.100000E-04    0.871083E+00
  82    0.471848E-06    0.804699E+02 -0.586366E-08 0.100000E-04    0.823387E+00
  83    0.147101E-05    0.779592E+02 -0.188690E-07 0.100000E-04    0.917194E+00
  84    0.604411E-06    0.732985E+02 -0.824589E-08 0.100000E-04    0.582841E+00
  85   -0.373862E-05    0.725887E+02  0.515041E-07 0.100000E-04    0.988720E+00
  86   -0.114317E-05    0.679281E+02  0.168292E-07 0.100000E-04    0.804736E+00
  87    0.567462E-06    0.647764E+02 -0.876032E-08 0.100000E-04    0.811600E+00
  88    0.477749E-05    0.613810E+02 -0.778333E-07 0.100000E-04    0.941578E+00
  89   -0.312565E-05    0.598484E+02  0.522262E-07 0.100000E-04    0.992972E+00
  90    0.280347E-05    0.593927E+02 -0.472023E-07 0.100000E-04    0.817055E+00
  91    0.488473E-06    0.581429E+02 -0.840126E-08 0.100000E-04    0.572107E+00
  92    0.495994E-06    0.558711E+02 -0.887746E-08 0.100000E-04    0.579511E+00
  93    0.234473E-05    0.524567E+02 -0.446985E-07 0.100000E-04    0.941451E+00
  94    0.577230E-06    0.520454E+02 -0.110909E-07 0.100000E-04    0.970651E+00
  95    0.350928E-05    0.502005E+02 -0.699053E-07 0.100000E-04    0.988000E+00
  96   -0.177254E-05    0.462008E+02  0.383660E-07 0.100000E-04    0.973771E+00
  97   -0.653815E-06    0.433243E+02  0.150912E-07 0.100000E-04    0.627026E+00
  98   -0.166899E-05    0.409030E+02  0.408037E-07 0.100000E-04    0.817491E+00
  99   -0.321431E-05    0.378710E+02  0.848754E-07 0.100000E-04    0.974610E+00
 100   -0.819198E-06    0.362240E+02  0.226148E-07 0.100000E-04    0.847862E+00
 101    0.755726E-05    0.323003E+02 -0.233969E-06 0.100000E-04    0.913288E+00
 102    0.502094E-05    0.288800E+02 -0.173855E-06 0.100000E-04    0.876505E+00
 103    0.508131E-06    0.284504E+02 -0.178603E-07 0.100000E-04    0.396061E+00
 104   -0.794243E-05    0.262902E+02  0.302106E-06 0.100000E-04    0.902039E+00
 105   -0.273931E-05    0.233250E+02  0.117441E-06 0.100000E-04    0.839987E+00
 106    0.533152E-05    0.213150E+02 -0.250130E-06 0.100000E-04    0.965880E+00
 107   -0.158711E-04    0.198583E+02  0.799216E-06 0.100000E-04    0.921044E+00
 108   -0.157418E-04    0.164716E+02  0.955695E-06 0.100000E-04    0.908219E+00
 109   -0.942301E-05    0.139018E+02  0.677825E-06 0.100000E-04    0.977377E+00
 110    0.657899E-02    0.122391E+02 -0.306580E-04 0.306580E-04    0.388590E-02
 111    0.226059E-05    0.100915E+02 -0.224010E-06 0.100000E-04    0.904720E+00
 112    0.350153E-01    0.896805E+01 -0.100000E-04 0.100000E-04    0.553916E+00
 113   -0.904139E-01    0.574255E+01  0.129044E-04 0.129044E-04    0.742292E+00
 114   -0.912577E+00    0.319012E+01 -0.100000E-04 0.100000E-04    0.380581E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.3065804612E-04    0.2658460025    

 Beginning of optimization cycle  543.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999498326
 potential> RMS force:                                               0.0859556547   |gradient|=.9177552513    
 Eigenvalues of the Hessian matrix:
   746.45526    674.15127    630.54406    600.84938    586.41731    578.88781 
   565.12548    487.43978    460.69841    459.82038    441.69090    429.28410 
   421.96361    408.05218    396.37796    387.56964    369.98740    360.54945 
   349.38850    335.28622    329.24283    321.85348    319.08550    309.49666 
   300.85846    290.57274    278.89653    272.70364    268.51561    264.93423 
   263.77105    253.24069    241.54324    240.76144    233.95997    227.51386 
   217.09013    214.88470    213.26111    207.64261    203.01669    195.48957 
   194.83002    191.34623    182.92938    174.31033    172.31678    168.20789 
   163.25001    156.88659    154.89316    152.26525    146.69991    143.37284 
   138.06206    135.87193    130.30823    128.82454    126.88079    124.13768 
   119.99875    118.16518    116.86793    110.35238    106.84997    104.42679 
   102.84360     99.52835     96.09641     94.11621     91.99815     91.21156 
    88.44633     85.58993     80.82679     80.46983     77.95965     73.29822 
    72.58838     67.92826     64.77642     61.38060     59.84838     59.39285 
    58.14271     55.87194     52.45634     52.04558     50.20123     46.19953 
    43.32371     40.90346     37.87094     36.22398     32.29959     28.88038 
    28.45038     26.29002     23.32565     21.31505     19.85843     16.47102 
    13.90206     12.23925     10.09157      8.96944      5.74239      3.18976 
overlap for current and previous eigenvector    109 is         0.9999999777
overlap for current and previous eigenvector    110 is        -0.9999999404
overlap for current and previous eigenvector    111 is        -0.9999999444
overlap for current and previous eigenvector    112 is         0.9999999658
overlap for current and previous eigenvector    113 is         0.9999999711
overlap for current and previous eigenvector    114 is         0.9999999936
J1,K1,R1,R2,RAT=   7   7   -0.5770681011E-01     2.057703098        0.9422931899    
FOB,PFOB,DIAG,PSTEP=   -0.4605446434E-06   -0.4354180122E-06     746.4552562        0.5833153650E-09
J1,K1,R1,R2,RAT=   8   8    0.8018122650E-01     1.919824757        0.9198187735    
FOB,PFOB,DIAG,PSTEP=   -0.2390502630E-06   -0.2598883688E-06     674.1512728        0.3855033755E-09
J1,K1,R1,R2,RAT=   9   9    0.2499085137         1.750091821        0.7500914863    
FOB,PFOB,DIAG,PSTEP=   -0.1787657026E-06   -0.2383251855E-06     630.5440636        0.3779674719E-09
J1,K1,R1,R2,RAT=  10  10   -0.1394366439         2.139439299        0.8605633561    
FOB,PFOB,DIAG,PSTEP=    0.2128880782E-06    0.1868362878E-06     600.8493821       -0.3109532029E-09
J1,K1,R1,R2,RAT=  11  11   -0.1282504929         2.128254775        0.8717495071    
FOB,PFOB,DIAG,PSTEP=   -0.1542803338E-06   -0.1367430126E-06     586.4173068        0.2331832949E-09
J1,K1,R1,R2,RAT= 109 109   -0.2704156555E-01     2.027008382        0.9729584344    
FOB,PFOB,DIAG,PSTEP=   -0.9677826091E-05   -0.9423008949E-05     13.90206429        0.6778248969E-06
J1,K1,R1,R2,RAT= 110 110     34.06608952         1.000190718        0.1907177299E-03
FOB,PFOB,DIAG,PSTEP=   -0.6203682747E-02    0.6578985770E-02     12.23924900       -0.3065804612E-04
J1,K1,R1,R2,RAT= 111 111     2.101628056       -0.1016516823        0.8983483177    
FOB,PFOB,DIAG,PSTEP=   -0.2490383922E-05    0.2260588576E-05     10.09157499       -0.2240101553E-06
J1,K1,R1,R2,RAT= 112 112    0.4663157736         780.3037460        0.5336842264    
FOB,PFOB,DIAG,PSTEP=    0.3497352185E-01    0.3501534776E-01     8.969439141       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.1547118664         2440.411494        0.8452881336    
FOB,PFOB,DIAG,PSTEP=   -0.9042540705E-01   -0.9041394259E-01     5.742394988        0.1290437017E-04
J1,K1,R1,R2,RAT= 114 114    0.6768169809        -57219.82478        0.3231830191    
FOB,PFOB,DIAG,PSTEP=   -0.9125986595       -0.9125770706         3.189761131       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00001      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001      0.00001 
     0.00000     -0.00001     -0.00000      0.00001      0.00001      0.00001 
    -0.00001     -0.00620     -0.00000      0.03497     -0.09043     -0.91260 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3841927177
 Log product of positive Hessian eigenvalues =          519.0684538583
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1897611310
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=        0.0000000003
 Unscaled step for mode   10=       -0.0000000004
 Unscaled step for mode   11=        0.0000000003
 Unscaled step for mode   12=        0.0000000013
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000020
 Unscaled step for mode   15=       -0.0000000000
 Unscaled step for mode   16=        0.0000000000
 Unscaled step for mode   17=        0.0000000008
 Unscaled step for mode   18=        0.0000000003
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000014
 Unscaled step for mode   21=       -0.0000000001
 Unscaled step for mode   22=        0.0000000008
 Unscaled step for mode   23=       -0.0000000014
 Unscaled step for mode   24=       -0.0000000002
 Unscaled step for mode   25=        0.0000000009
 Unscaled step for mode   26=        0.0000000011
 Unscaled step for mode   27=       -0.0000000019
 Unscaled step for mode   28=       -0.0000000006
 Unscaled step for mode   29=       -0.0000000026
 Unscaled step for mode   30=        0.0000000035
 Unscaled step for mode   31=        0.0000000019
 Unscaled step for mode   32=        0.0000000055
 Unscaled step for mode   33=       -0.0000000024
 Unscaled step for mode   34=        0.0000000024
 Unscaled step for mode   35=       -0.0000000006
 Unscaled step for mode   36=       -0.0000000086
 Unscaled step for mode   37=        0.0000000004
 Unscaled step for mode   38=       -0.0000000020
 Unscaled step for mode   39=        0.0000000031
 Unscaled step for mode   40=        0.0000000073
 Unscaled step for mode   41=        0.0000000047
 Unscaled step for mode   42=        0.0000000049
 Unscaled step for mode   43=       -0.0000000011
 Unscaled step for mode   44=        0.0000000077
 Unscaled step for mode   45=       -0.0000000020
 Unscaled step for mode   46=       -0.0000000078
 Unscaled step for mode   47=        0.0000000062
 Unscaled step for mode   48=       -0.0000000047
 Unscaled step for mode   49=       -0.0000000055
 Unscaled step for mode   50=       -0.0000000053
 Unscaled step for mode   51=       -0.0000000006
 Unscaled step for mode   52=        0.0000000005
 Unscaled step for mode   53=       -0.0000000057
 Unscaled step for mode   54=        0.0000000031
 Unscaled step for mode   55=       -0.0000000088
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000015
 Unscaled step for mode   58=        0.0000000090
 Unscaled step for mode   59=        0.0000000000
 Unscaled step for mode   60=        0.0000000035
 Unscaled step for mode   61=       -0.0000000005
 Unscaled step for mode   62=        0.0000000004
 Unscaled step for mode   63=       -0.0000000074
 Unscaled step for mode   64=       -0.0000000048
 Unscaled step for mode   65=        0.0000000052
 Unscaled step for mode   66=       -0.0000000050
 Unscaled step for mode   67=        0.0000000130
 Unscaled step for mode   68=       -0.0000000026
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=        0.0000000105
 Unscaled step for mode   71=        0.0000000032
 Unscaled step for mode   72=        0.0000000100
 Unscaled step for mode   73=        0.0000000012
 Unscaled step for mode   74=        0.0000000203
 Unscaled step for mode   75=       -0.0000000030
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=       -0.0000000424
 Unscaled step for mode   78=        0.0000000009
 Unscaled step for mode   79=        0.0000000045
 Unscaled step for mode   80=        0.0000000039
 Unscaled step for mode   81=        0.0000000058
 Unscaled step for mode   82=       -0.0000000046
 Unscaled step for mode   83=       -0.0000000204
 Unscaled step for mode   84=       -0.0000000105
 Unscaled step for mode   85=        0.0000000526
 Unscaled step for mode   86=       -0.0000000196
 Unscaled step for mode   87=        0.0000000070
 Unscaled step for mode   88=       -0.0000000825
 Unscaled step for mode   89=       -0.0000000529
 Unscaled step for mode   90=        0.0000000550
 Unscaled step for mode   91=       -0.0000000024
 Unscaled step for mode   92=       -0.0000000025
 Unscaled step for mode   93=        0.0000000420
 Unscaled step for mode   94=       -0.0000000113
 Unscaled step for mode   95=       -0.0000000714
 Unscaled step for mode   96=        0.0000000378
 Unscaled step for mode   97=       -0.0000000066
 Unscaled step for mode   98=       -0.0000000471
 Unscaled step for mode   99=       -0.0000000840
 Unscaled step for mode  100=       -0.0000000189
 Unscaled step for mode  101=       -0.0000002140
 Unscaled step for mode  102=       -0.0000001932
 Unscaled step for mode  103=       -0.0000000288
 Unscaled step for mode  104=        0.0000003288
 Unscaled step for mode  105=        0.0000000965
 Unscaled step for mode  106=       -0.0000002423
 Unscaled step for mode  107=       -0.0000007403
 Unscaled step for mode  108=       -0.0000008682
 Unscaled step for mode  109=        0.0000006961
 Unscaled step for mode  110=        0.0005068678
 Unscaled step for mode  111=        0.0000002468
 Unscaled step for mode  112=       -0.0038991279
 Unscaled step for mode  113=        0.0157430821
 Unscaled step for mode  114=       -0.2658776562
 Largest modulus ratio of non-zero e/values=           234.0160362    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.447884E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.110166E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.586987E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.283004E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.635385E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.227237E-14    0.974276E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.460545E-06    0.746455E+03  0.616976E-09 0.100000E-04    0.942293E+00
   8   -0.239050E-06    0.674151E+03  0.354594E-09 0.100000E-04    0.919819E+00
   9   -0.178766E-06    0.630544E+03  0.283510E-09 0.100000E-04    0.750091E+00
  10    0.212888E-06    0.600849E+03 -0.354312E-09 0.100000E-04    0.860563E+00
  11   -0.154280E-06    0.586417E+03  0.263090E-09 0.100000E-04    0.871750E+00
  12   -0.768495E-06    0.578888E+03  0.132754E-08 0.100000E-04    0.946199E+00
  13   -0.413921E-07    0.565125E+03  0.732441E-10 0.100000E-04    0.778970E+00
  14    0.969376E-06    0.487440E+03 -0.198871E-08 0.100000E-04    0.962627E+00
  15    0.229271E-08    0.460698E+03 -0.497659E-11 0.109000E-04    0.545232E-01
  16   -0.177279E-08    0.459820E+03  0.385539E-11 0.109000E-04    0.888726E-01
  17   -0.332485E-06    0.441691E+03  0.752755E-09 0.100000E-04    0.902663E+00
  18   -0.125457E-06    0.429284E+03  0.292248E-09 0.100000E-04    0.779903E+00
  19   -0.416042E-07    0.421964E+03  0.985967E-10 0.100000E-04    0.918021E+00
  20   -0.587979E-06    0.408052E+03  0.144094E-08 0.100000E-04    0.992675E+00
  21    0.343161E-07    0.396378E+03 -0.865743E-10 0.100000E-04    0.529988E+00
  22   -0.328761E-06    0.387570E+03  0.848264E-09 0.100000E-04    0.909517E+00
  23    0.508667E-06    0.369987E+03 -0.137482E-08 0.100000E-04    0.914861E+00
  24    0.546699E-07    0.360549E+03 -0.151629E-09 0.100000E-04    0.344170E+01
  25   -0.328102E-06    0.349389E+03  0.939076E-09 0.100000E-04    0.902270E+00
  26   -0.381031E-06    0.335286E+03  0.113643E-08 0.100000E-04    0.865066E+00
  27    0.611835E-06    0.329243E+03 -0.185831E-08 0.100000E-04    0.996410E+00
  28    0.193338E-06    0.321853E+03 -0.600702E-09 0.100000E-04    0.524058E+00
  29    0.842878E-06    0.319085E+03 -0.264154E-08 0.100000E-04    0.863126E+00
  30   -0.109806E-05    0.309497E+03  0.354789E-08 0.100000E-04    0.950912E+00
  31   -0.566053E-06    0.300858E+03  0.188146E-08 0.100000E-04    0.910002E+00
  32   -0.160896E-05    0.290573E+03  0.553721E-08 0.100000E-04    0.995439E+00
  33    0.666002E-06    0.278897E+03 -0.238799E-08 0.100000E-04    0.884607E+00
  34   -0.664662E-06    0.272704E+03  0.243731E-08 0.100000E-04    0.892048E+00
  35    0.167601E-06    0.268516E+03 -0.624177E-09 0.100000E-04    0.648212E+00
  36    0.228620E-05    0.264934E+03 -0.862932E-08 0.100000E-04    0.971407E+00
  37   -0.116726E-06    0.263771E+03  0.442528E-09 0.100000E-04    0.733985E+00
  38    0.509622E-06    0.253241E+03 -0.201240E-08 0.100000E-04    0.884559E+00
  39   -0.748130E-06    0.241543E+03  0.309729E-08 0.100000E-04    0.920616E+00
  40   -0.176709E-05    0.240761E+03  0.733959E-08 0.100000E-04    0.987491E+00
  41   -0.110308E-05    0.233960E+03  0.471483E-08 0.100000E-04    0.993992E+00
  42   -0.112334E-05    0.227514E+03  0.493747E-08 0.100000E-04    0.929804E+00
  43    0.235324E-06    0.217090E+03 -0.108399E-08 0.100000E-04    0.882659E+00
  44   -0.164478E-05    0.214885E+03  0.765426E-08 0.100000E-04    0.965291E+00
  45    0.421059E-06    0.213261E+03 -0.197438E-08 0.100000E-04    0.944637E+00
  46    0.161329E-05    0.207643E+03 -0.776957E-08 0.100000E-04    0.977949E+00
  47   -0.126186E-05    0.203017E+03  0.621556E-08 0.100000E-04    0.976886E+00
  48    0.913886E-06    0.195490E+03 -0.467486E-08 0.100000E-04    0.706955E+00
  49    0.108107E-05    0.194830E+03 -0.554878E-08 0.100000E-04    0.995227E+00
  50    0.101695E-05    0.191346E+03 -0.531470E-08 0.100000E-04    0.926124E+00
  51    0.102208E-06    0.182929E+03 -0.558728E-09 0.100000E-04    0.816379E+00
  52   -0.944849E-07    0.174310E+03  0.542050E-09 0.100000E-04    0.618889E+00
  53    0.977016E-06    0.172317E+03 -0.566989E-08 0.100000E-04    0.911196E+00
  54   -0.519294E-06    0.168208E+03  0.308721E-08 0.100000E-04    0.947248E+00
  55    0.144405E-05    0.163250E+03 -0.884561E-08 0.100000E-04    0.975569E+00
  56    0.137710E-05    0.156887E+03 -0.877766E-08 0.100000E-04    0.988708E+00
  57   -0.226726E-06    0.154893E+03  0.146376E-08 0.100000E-04    0.893813E+00
  58   -0.136945E-05    0.152265E+03  0.899383E-08 0.100000E-04    0.980706E+00
  59   -0.144160E-08    0.146700E+03  0.982686E-11 0.109000E-04    0.253195E-01
  60   -0.504478E-06    0.143373E+03  0.351865E-08 0.100000E-04    0.842017E+00
  61    0.633177E-07    0.138062E+03 -0.458618E-09 0.100000E-04    0.850459E+00
  62   -0.524315E-07    0.135872E+03  0.385889E-09 0.100000E-04    0.374986E+00
  63    0.968101E-06    0.130308E+03 -0.742932E-08 0.100000E-04    0.864821E+00
  64    0.622296E-06    0.128825E+03 -0.483057E-08 0.100000E-04    0.826865E+00
  65   -0.658422E-06    0.126881E+03  0.518930E-08 0.100000E-04    0.867536E+00
  66    0.621706E-06    0.124138E+03 -0.500820E-08 0.100000E-04    0.968523E+00
  67   -0.155471E-05    0.119999E+03  0.129560E-07 0.100000E-04    0.962828E+00
  68    0.305798E-06    0.118165E+03 -0.258788E-08 0.100000E-04    0.697921E+00
  69   -0.465978E-07    0.116868E+03  0.398722E-09 0.100000E-04    0.455898E+00
  70   -0.116349E-05    0.110352E+03  0.105434E-07 0.100000E-04    0.962078E+00
  71   -0.342116E-06    0.106850E+03  0.320184E-08 0.100000E-04    0.875242E+00
  72   -0.104166E-05    0.104427E+03  0.997500E-08 0.100000E-04    0.956282E+00
  73   -0.123392E-06    0.102844E+03  0.119980E-08 0.100000E-04    0.520998E+00
  74   -0.201889E-05    0.995284E+02  0.202845E-07 0.100000E-04    0.911902E+00
  75    0.292295E-06    0.960964E+02 -0.304168E-08 0.100000E-04    0.845466E+00
  76    0.179978E-06    0.941162E+02 -0.191230E-08 0.100000E-04    0.919793E+00
  77    0.390088E-05    0.919982E+02 -0.424017E-07 0.100000E-04    0.946418E+00
  78   -0.813925E-07    0.912116E+02  0.892349E-09 0.100000E-04    0.498561E+00
  79   -0.396485E-06    0.884463E+02  0.448278E-08 0.100000E-04    0.672022E+00
  80   -0.335132E-06    0.855899E+02  0.391556E-08 0.100000E-04    0.696169E+00
  81   -0.471146E-06    0.808268E+02  0.582908E-08 0.100000E-04    0.846824E+00
  82    0.373185E-06    0.804698E+02 -0.463758E-08 0.100000E-04    0.790902E+00
  83    0.158705E-05    0.779597E+02 -0.203573E-07 0.100000E-04    0.921118E+00
  84    0.767927E-06    0.732982E+02 -0.104767E-07 0.100000E-04    0.729462E+00
  85   -0.381473E-05    0.725884E+02  0.525529E-07 0.100000E-04    0.979641E+00
  86    0.133316E-05    0.679283E+02 -0.196260E-07 0.100000E-04    0.833806E+00
  87   -0.456134E-06    0.647764E+02  0.704167E-08 0.100000E-04    0.803814E+00
  88    0.506492E-05    0.613806E+02 -0.825166E-07 0.100000E-04    0.939836E+00
  89    0.316553E-05    0.598484E+02 -0.528925E-07 0.100000E-04    0.987241E+00
  90   -0.326582E-05    0.593929E+02  0.549867E-07 0.100000E-04    0.835080E+00
  91    0.140551E-06    0.581427E+02 -0.241735E-08 0.100000E-04    0.287734E+00
  92    0.140828E-06    0.558719E+02 -0.252056E-08 0.100000E-04    0.283914E+00
  93   -0.220519E-05    0.524563E+02  0.420385E-07 0.100000E-04    0.940485E+00
  94    0.586549E-06    0.520456E+02 -0.112699E-07 0.100000E-04    0.983855E+00
  95    0.358292E-05    0.502012E+02 -0.713712E-07 0.100000E-04    0.979015E+00
  96   -0.174645E-05    0.461995E+02  0.378024E-07 0.100000E-04    0.985283E+00
  97    0.286383E-06    0.433237E+02 -0.661032E-08 0.100000E-04    0.438011E+00
  98    0.192598E-05    0.409035E+02 -0.470859E-07 0.100000E-04    0.846027E+00
  99    0.318085E-05    0.378709E+02 -0.839918E-07 0.100000E-04    0.989588E+00
 100    0.685383E-06    0.362240E+02 -0.189207E-07 0.100000E-04    0.836651E+00
 101    0.691240E-05    0.322996E+02 -0.214009E-06 0.100000E-04    0.914669E+00
 102    0.557997E-05    0.288804E+02 -0.193210E-06 0.100000E-04    0.888661E+00
 103    0.820530E-06    0.284504E+02 -0.288407E-07 0.100000E-04    0.385202E+00
 104   -0.864311E-05    0.262900E+02  0.328760E-06 0.100000E-04    0.911779E+00
 105   -0.225110E-05    0.233256E+02  0.965076E-07 0.100000E-04    0.821722E+00
 106    0.516452E-05    0.213151E+02 -0.242295E-06 0.100000E-04    0.968674E+00
 107    0.147021E-04    0.198584E+02 -0.740346E-06 0.100000E-04    0.926336E+00
 108    0.142997E-04    0.164710E+02 -0.868175E-06 0.100000E-04    0.908386E+00
 109   -0.967783E-05    0.139021E+02  0.696143E-06 0.100000E-04    0.972958E+00
 110   -0.620368E-02    0.122392E+02  0.334173E-04 0.334173E-04    0.190718E-03
 111   -0.249038E-05    0.100916E+02  0.246779E-06 0.100000E-04    0.898348E+00
 112    0.349735E-01    0.896944E+01 -0.100000E-04 0.100000E-04    0.533684E+00
 113   -0.904254E-01    0.574239E+01  0.116256E-04 0.116256E-04    0.845288E+00
 114   -0.912599E+00    0.318976E+01 -0.100000E-04 0.100000E-04    0.323183E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.3341727027E-04    0.2658776562    

 Beginning of optimization cycle  544.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999423071
 potential> RMS force:                                               0.0859574390   |gradient|=.9177743023    
 Eigenvalues of the Hessian matrix:
   746.45636    674.14922    630.54364    600.84873    586.41601    578.88668 
   565.12416    487.44156    460.69696    459.81915    441.69114    429.28647 
   421.96169    408.05038    396.37711    387.56765    369.98854    360.55018 
   349.38805    335.28487    329.24382    321.85266    319.08620    309.49367 
   300.85784    290.57425    278.89823    272.70414    268.51621    264.93438 
   263.77305    253.24109    241.54439    240.76077    233.96090    227.51327 
   217.09081    214.88472    213.26201    207.64317    203.01692    195.48860 
   194.82961    191.34580    182.92908    174.31103    172.31740    168.20747 
   163.24934    156.88661    154.89269    152.26512    146.69971    143.37246 
   138.06235    135.87203    130.30797    128.82484    126.88127    124.13716 
   119.99901    118.16490    116.86735    110.35231    106.84901    104.42779 
   102.84419     99.52754     96.09659     94.11608     91.99771     91.21212 
    88.44626     85.59018     80.82707     80.46973     77.96019     73.29797 
    72.58808     67.92851     64.77646     61.38020     59.84839     59.39302 
    58.14255     55.87283     52.45599     52.04577     50.20198     46.19824 
    43.32299     40.90393     37.87088     36.22404     32.29887     28.88074 
    28.45036     26.28982     23.32641     21.31507     19.85854     16.47038 
    13.90231     12.23946     10.09171      8.97079      5.74220      3.18939 
overlap for current and previous eigenvector    109 is         0.9999999761
overlap for current and previous eigenvector    110 is         0.9999999283
overlap for current and previous eigenvector    111 is         0.9999999358
overlap for current and previous eigenvector    112 is         0.9999999686
overlap for current and previous eigenvector    113 is         0.9999999749
overlap for current and previous eigenvector    114 is         0.9999999954
J1,K1,R1,R2,RAT=   7   7   -0.5759455050E-01     2.057591595        0.9424054495    
FOB,PFOB,DIAG,PSTEP=   -0.4870695443E-06   -0.4605446434E-06     746.4563594        0.6169755514E-09
J1,K1,R1,R2,RAT=   8   8    0.8346897683E-01     1.916537102        0.9165310232    
FOB,PFOB,DIAG,PSTEP=   -0.2190970428E-06   -0.2390502630E-06     674.1492239        0.3545943955E-09
J1,K1,R1,R2,RAT=   9   9    0.3345293882         1.665471959        0.6654706118    
FOB,PFOB,DIAG,PSTEP=   -0.1189633618E-06   -0.1787657026E-06     630.5436388        0.2835102460E-09
J1,K1,R1,R2,RAT=  10  10   -0.1205726436         2.120574806        0.8794273564    
FOB,PFOB,DIAG,PSTEP=    0.2385565288E-06    0.2128880782E-06     600.8487324       -0.3543118867E-09
J1,K1,R1,R2,RAT=  11  11   -0.1186803188         2.118684737        0.8813196812    
FOB,PFOB,DIAG,PSTEP=   -0.1725903326E-06   -0.1542803338E-06     586.4160113        0.2630896667E-09
J1,K1,R1,R2,RAT= 109 109   -0.3147651240E-01     2.031441182        0.9685234876    
FOB,PFOB,DIAG,PSTEP=   -0.9982455686E-05   -0.9677826091E-05     13.90230988        0.6961430969E-06
J1,K1,R1,R2,RAT= 110 110    0.9972715270         29.33789058        0.2728472981E-02
FOB,PFOB,DIAG,PSTEP=   -0.5795789349E-02   -0.6203682747E-02     12.23946077        0.3341727027E-04
J1,K1,R1,R2,RAT= 111 111   -0.1078880456         2.107860917        0.8921119544    
FOB,PFOB,DIAG,PSTEP=   -0.2759070221E-05   -0.2490383922E-05     10.09171188        0.2467785181E-06
J1,K1,R1,R2,RAT= 112 112    0.4837232997         779.2360420        0.5162767003    
FOB,PFOB,DIAG,PSTEP=    0.3493012804E-01    0.3497352185E-01     8.970792689       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.2597521054E-01     2709.146503        0.9740247895    
FOB,PFOB,DIAG,PSTEP=   -0.9042714106E-01   -0.9042540705E-01     5.742199898        0.1162555871E-04
J1,K1,R1,R2,RAT= 114 114    0.7314959740        -57227.81146        0.2685040260    
FOB,PFOB,DIAG,PSTEP=   -0.9126219898       -0.9125986595         3.189394462       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00001 
     0.00000     -0.00001     -0.00000      0.00001      0.00001      0.00001 
    -0.00001     -0.00580     -0.00000      0.03493     -0.09043     -0.91262 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3841435343
 Log product of positive Hessian eigenvalues =          519.0684705504
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1893944617
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=        0.0000000002
 Unscaled step for mode   10=       -0.0000000004
 Unscaled step for mode   11=        0.0000000003
 Unscaled step for mode   12=        0.0000000013
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000021
 Unscaled step for mode   15=       -0.0000000001
 Unscaled step for mode   16=       -0.0000000000
 Unscaled step for mode   17=        0.0000000007
 Unscaled step for mode   18=        0.0000000002
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000015
 Unscaled step for mode   21=       -0.0000000002
 Unscaled step for mode   22=        0.0000000008
 Unscaled step for mode   23=       -0.0000000013
 Unscaled step for mode   24=       -0.0000000003
 Unscaled step for mode   25=        0.0000000010
 Unscaled step for mode   26=        0.0000000013
 Unscaled step for mode   27=       -0.0000000019
 Unscaled step for mode   28=       -0.0000000008
 Unscaled step for mode   29=       -0.0000000030
 Unscaled step for mode   30=        0.0000000034
 Unscaled step for mode   31=        0.0000000017
 Unscaled step for mode   32=        0.0000000056
 Unscaled step for mode   33=       -0.0000000026
 Unscaled step for mode   34=        0.0000000027
 Unscaled step for mode   35=       -0.0000000003
 Unscaled step for mode   36=       -0.0000000089
 Unscaled step for mode   37=        0.0000000003
 Unscaled step for mode   38=       -0.0000000022
 Unscaled step for mode   39=        0.0000000033
 Unscaled step for mode   40=        0.0000000074
 Unscaled step for mode   41=        0.0000000047
 Unscaled step for mode   42=        0.0000000046
 Unscaled step for mode   43=       -0.0000000012
 Unscaled step for mode   44=        0.0000000074
 Unscaled step for mode   45=       -0.0000000018
 Unscaled step for mode   46=       -0.0000000080
 Unscaled step for mode   47=        0.0000000064
 Unscaled step for mode   48=       -0.0000000058
 Unscaled step for mode   49=       -0.0000000055
 Unscaled step for mode   50=       -0.0000000050
 Unscaled step for mode   51=       -0.0000000004
 Unscaled step for mode   52=        0.0000000002
 Unscaled step for mode   53=       -0.0000000062
 Unscaled step for mode   54=        0.0000000033
 Unscaled step for mode   55=       -0.0000000091
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000013
 Unscaled step for mode   58=        0.0000000092
 Unscaled step for mode   59=        0.0000000004
 Unscaled step for mode   60=        0.0000000040
 Unscaled step for mode   61=       -0.0000000014
 Unscaled step for mode   62=       -0.0000000003
 Unscaled step for mode   63=       -0.0000000064
 Unscaled step for mode   64=       -0.0000000055
 Unscaled step for mode   65=        0.0000000045
 Unscaled step for mode   66=       -0.0000000049
 Unscaled step for mode   67=        0.0000000125
 Unscaled step for mode   68=       -0.0000000032
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=        0.0000000102
 Unscaled step for mode   71=        0.0000000028
 Unscaled step for mode   72=        0.0000000102
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=        0.0000000220
 Unscaled step for mode   75=       -0.0000000033
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=        0.0000000447
 Unscaled step for mode   78=        0.0000000000
 Unscaled step for mode   79=        0.0000000056
 Unscaled step for mode   80=        0.0000000049
 Unscaled step for mode   81=        0.0000000047
 Unscaled step for mode   82=       -0.0000000034
 Unscaled step for mode   83=       -0.0000000219
 Unscaled step for mode   84=       -0.0000000125
 Unscaled step for mode   85=        0.0000000541
 Unscaled step for mode   86=       -0.0000000225
 Unscaled step for mode   87=       -0.0000000056
 Unscaled step for mode   88=       -0.0000000876
 Unscaled step for mode   89=       -0.0000000539
 Unscaled step for mode   90=       -0.0000000633
 Unscaled step for mode   91=        0.0000000033
 Unscaled step for mode   92=        0.0000000038
 Unscaled step for mode   93=        0.0000000395
 Unscaled step for mode   94=       -0.0000000113
 Unscaled step for mode   95=       -0.0000000735
 Unscaled step for mode   96=        0.0000000377
 Unscaled step for mode   97=        0.0000000015
 Unscaled step for mode   98=       -0.0000000534
 Unscaled step for mode   99=       -0.0000000844
 Unscaled step for mode  100=       -0.0000000156
 Unscaled step for mode  101=       -0.0000001961
 Unscaled step for mode  102=       -0.0000002130
 Unscaled step for mode  103=       -0.0000000405
 Unscaled step for mode  104=        0.0000003554
 Unscaled step for mode  105=        0.0000000768
 Unscaled step for mode  106=       -0.0000002353
 Unscaled step for mode  107=       -0.0000006905
 Unscaled step for mode  108=       -0.0000007887
 Unscaled step for mode  109=        0.0000007180
 Unscaled step for mode  110=        0.0004735330
 Unscaled step for mode  111=        0.0000002734
 Unscaled step for mode  112=       -0.0038937026
 Unscaled step for mode  113=        0.0157439184
 Unscaled step for mode  114=       -0.2659100860
 Largest modulus ratio of non-zero e/values=           234.0432858    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.309323E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.801117E-15    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.118395E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.342377E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.352927E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.258234E-14    0.974277E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.487070E-06    0.746456E+03  0.652509E-09 0.100000E-04    0.942405E+00
   8   -0.219097E-06    0.674149E+03  0.324998E-09 0.100000E-04    0.916531E+00
   9   -0.118963E-06    0.630544E+03  0.188668E-09 0.100000E-04    0.665471E+00
  10    0.238557E-06    0.600849E+03 -0.397033E-09 0.100000E-04    0.879427E+00
  11   -0.172590E-06    0.586416E+03  0.294314E-09 0.100000E-04    0.881320E+00
  12   -0.728102E-06    0.578887E+03  0.125776E-08 0.100000E-04    0.947439E+00
  13   -0.500024E-07    0.565124E+03  0.884803E-10 0.100000E-04    0.791982E+00
  14    0.101108E-05    0.487442E+03 -0.207425E-08 0.100000E-04    0.956983E+00
  15    0.469968E-07    0.460697E+03 -0.102012E-09 0.100000E-04    0.184984E+02
  16    0.148062E-07    0.459819E+03 -0.322001E-10 0.100000E-04    0.635198E+01
  17   -0.299994E-06    0.441691E+03  0.679193E-09 0.100000E-04    0.902276E+00
  18   -0.906192E-07    0.429286E+03  0.211093E-09 0.100000E-04    0.722301E+00
  19   -0.407741E-07    0.421962E+03  0.966299E-10 0.100000E-04    0.980047E+00
  20   -0.596468E-06    0.408050E+03  0.146175E-08 0.100000E-04    0.985562E+00
  21    0.820125E-07    0.396377E+03 -0.206905E-09 0.100000E-04    0.389914E+00
  22   -0.294714E-06    0.387568E+03  0.760418E-09 0.100000E-04    0.896436E+00
  23    0.464529E-06    0.369989E+03 -0.125552E-08 0.100000E-04    0.913223E+00
  24    0.102217E-06    0.360550E+03 -0.283503E-09 0.109000E-04    0.130290E+00
  25   -0.355948E-06    0.349388E+03  0.101878E-08 0.100000E-04    0.915131E+00
  26   -0.421706E-06    0.335285E+03  0.125775E-08 0.100000E-04    0.893249E+00
  27    0.620663E-06    0.329244E+03 -0.188512E-08 0.100000E-04    0.985571E+00
  28    0.255085E-06    0.321853E+03 -0.792551E-09 0.100000E-04    0.680627E+00
  29    0.941457E-06    0.319086E+03 -0.295048E-08 0.100000E-04    0.883046E+00
  30   -0.104776E-05    0.309494E+03  0.338540E-08 0.100000E-04    0.954190E+00
  31   -0.511805E-06    0.300858E+03  0.170115E-08 0.100000E-04    0.904163E+00
  32   -0.162415E-05    0.290574E+03  0.558945E-08 0.100000E-04    0.990561E+00
  33    0.734655E-06    0.278898E+03 -0.263413E-08 0.100000E-04    0.896919E+00
  34   -0.727928E-06    0.272704E+03  0.266930E-08 0.100000E-04    0.904815E+00
  35    0.741463E-07    0.268516E+03 -0.276133E-09 0.100000E-04    0.442394E+00
  36    0.236000E-05    0.264934E+03 -0.890785E-08 0.100000E-04    0.967722E+00
  37   -0.773676E-07    0.263773E+03  0.293311E-09 0.100000E-04    0.662800E+00
  38    0.567768E-06    0.253241E+03 -0.224200E-08 0.100000E-04    0.885905E+00
  39   -0.802561E-06    0.241544E+03  0.332262E-08 0.100000E-04    0.927245E+00
  40   -0.179342E-05    0.240761E+03  0.744898E-08 0.100000E-04    0.985099E+00
  41   -0.110818E-05    0.233961E+03  0.473659E-08 0.100000E-04    0.995380E+00
  42   -0.104337E-05    0.227513E+03  0.458599E-08 0.100000E-04    0.928811E+00
  43    0.261077E-06    0.217091E+03 -0.120262E-08 0.100000E-04    0.890565E+00
  44   -0.158964E-05    0.214885E+03  0.739763E-08 0.100000E-04    0.966471E+00
  45    0.394428E-06    0.213262E+03 -0.184950E-08 0.100000E-04    0.936745E+00
  46    0.165257E-05    0.207643E+03 -0.795871E-08 0.100000E-04    0.975653E+00
  47   -0.129587E-05    0.203017E+03  0.638306E-08 0.100000E-04    0.973050E+00
  48    0.112559E-05    0.195489E+03 -0.575782E-08 0.100000E-04    0.768349E+00
  49    0.108095E-05    0.194830E+03 -0.554817E-08 0.100000E-04    0.999889E+00
  50    0.950837E-06    0.191346E+03 -0.496921E-08 0.100000E-04    0.934991E+00
  51    0.814711E-07    0.182929E+03 -0.445370E-09 0.100000E-04    0.797112E+00
  52   -0.382418E-07    0.174311E+03  0.219388E-09 0.100000E-04    0.404734E+00
  53    0.106113E-05    0.172317E+03 -0.615801E-08 0.100000E-04    0.913906E+00
  54   -0.546763E-06    0.168207E+03  0.325053E-08 0.100000E-04    0.947102E+00
  55    0.148440E-05    0.163249E+03 -0.909287E-08 0.100000E-04    0.972051E+00
  56    0.136521E-05    0.156887E+03 -0.870189E-08 0.100000E-04    0.991368E+00
  57   -0.203926E-06    0.154893E+03  0.131656E-08 0.100000E-04    0.899436E+00
  58   -0.140042E-05    0.152265E+03  0.919725E-08 0.100000E-04    0.977383E+00
  59   -0.637379E-07    0.146700E+03  0.434479E-09 0.100000E-04    0.422134E+02
  60   -0.574181E-06    0.143372E+03  0.400482E-08 0.100000E-04    0.861832E+00
  61    0.191674E-06    0.138062E+03 -0.138831E-08 0.100000E-04    0.102717E+01
  62    0.381939E-07    0.135872E+03 -0.281102E-09 0.100000E-04    0.728451E+00
  63    0.829370E-06    0.130308E+03 -0.636469E-08 0.100000E-04    0.856697E+00
  64    0.707332E-06    0.128825E+03 -0.549065E-08 0.100000E-04    0.863351E+00
  65   -0.567533E-06    0.126881E+03  0.447294E-08 0.100000E-04    0.861952E+00
  66    0.609039E-06    0.124137E+03 -0.490618E-08 0.100000E-04    0.979626E+00
  67   -0.150086E-05    0.119999E+03  0.125072E-07 0.100000E-04    0.965359E+00
  68    0.379351E-06    0.118165E+03 -0.321035E-08 0.100000E-04    0.759470E+00
  69   -0.607005E-07    0.116867E+03  0.519397E-09 0.100000E-04    0.697350E+00
  70   -0.112374E-05    0.110352E+03  0.101832E-07 0.100000E-04    0.965838E+00
  71   -0.295632E-06    0.106849E+03  0.276682E-08 0.100000E-04    0.864125E+00
  72   -0.107034E-05    0.104428E+03  0.102496E-07 0.100000E-04    0.972467E+00
  73   -0.161572E-06    0.102844E+03  0.157103E-08 0.100000E-04    0.690586E+00
  74   -0.219454E-05    0.995275E+02  0.220496E-07 0.100000E-04    0.912995E+00
  75    0.319485E-06    0.960966E+02 -0.332462E-08 0.100000E-04    0.906976E+00
  76    0.167846E-06    0.941161E+02 -0.178339E-08 0.100000E-04    0.932588E+00
  77   -0.411366E-05    0.919977E+02  0.447149E-07 0.100000E-04    0.945452E+00
  78   -0.261352E-08    0.912121E+02  0.286532E-10 0.109000E-04    0.321037E-01
  79   -0.499585E-06    0.884463E+02  0.564845E-08 0.100000E-04    0.739967E+00
  80   -0.415269E-06    0.855902E+02  0.485183E-08 0.100000E-04    0.760881E+00
  81   -0.382300E-06    0.808271E+02  0.472985E-08 0.100000E-04    0.811420E+00
  82    0.276017E-06    0.804697E+02 -0.343007E-08 0.100000E-04    0.739625E+00
  83    0.170765E-05    0.779602E+02 -0.219041E-07 0.100000E-04    0.924011E+00
  84    0.918731E-06    0.732980E+02 -0.125342E-07 0.100000E-04    0.803621E+00
  85   -0.392546E-05    0.725881E+02  0.540785E-07 0.100000E-04    0.970973E+00
  86    0.152801E-05    0.679285E+02 -0.224944E-07 0.100000E-04    0.853843E+00
  87    0.363858E-06    0.647765E+02 -0.561713E-08 0.100000E-04    0.797699E+00
  88    0.537816E-05    0.613802E+02 -0.876205E-07 0.100000E-04    0.938154E+00
  89    0.322343E-05    0.598484E+02 -0.538598E-07 0.100000E-04    0.981712E+00
  90    0.376059E-05    0.593930E+02 -0.633170E-07 0.100000E-04    0.848501E+00
  91   -0.193486E-06    0.581425E+02  0.332778E-08 0.100000E-04    0.623378E+00
  92   -0.212680E-06    0.558728E+02  0.380649E-08 0.100000E-04    0.489806E+00
  93   -0.207048E-05    0.524560E+02  0.394708E-07 0.100000E-04    0.938913E+00
  94    0.588993E-06    0.520458E+02 -0.113168E-07 0.100000E-04    0.995833E+00
  95    0.368856E-05    0.502020E+02 -0.734745E-07 0.100000E-04    0.970515E+00
  96   -0.174136E-05    0.461982E+02  0.376932E-07 0.100000E-04    0.997082E+00
  97   -0.628788E-07    0.433230E+02  0.145140E-08 0.100000E-04    0.219549E+00
  98    0.218473E-05    0.409039E+02 -0.534113E-07 0.100000E-04    0.865652E+00
  99    0.319650E-05    0.378709E+02 -0.844053E-07 0.100000E-04    0.995078E+00
 100    0.563368E-06    0.362240E+02 -0.155523E-07 0.100000E-04    0.821973E+00
 101    0.633302E-05    0.322989E+02 -0.196076E-06 0.100000E-04    0.916181E+00
 102    0.615109E-05    0.288807E+02 -0.212982E-06 0.100000E-04    0.897651E+00
 103    0.115185E-05    0.284504E+02 -0.404864E-07 0.100000E-04    0.596207E+00
 104   -0.934230E-05    0.262898E+02  0.355358E-06 0.100000E-04    0.919104E+00
 105   -0.179132E-05    0.233264E+02  0.767938E-07 0.100000E-04    0.795696E+00
 106    0.501618E-05    0.213151E+02 -0.235335E-06 0.100000E-04    0.971275E+00
 107    0.137116E-04    0.198585E+02 -0.690462E-06 0.100000E-04    0.932616E+00
 108    0.129899E-04    0.164704E+02 -0.788685E-06 0.100000E-04    0.908401E+00
 109   -0.998246E-05    0.139023E+02  0.718043E-06 0.100000E-04    0.968523E+00
 110   -0.579579E-02    0.122395E+02  0.364248E-04 0.364248E-04    0.272847E-02
 111   -0.275907E-05    0.100917E+02  0.273400E-06 0.100000E-04    0.892112E+00
 112    0.349301E-01    0.897079E+01 -0.100000E-04 0.100000E-04    0.516277E+00
 113   -0.904271E-01    0.574220E+01  0.104735E-04 0.104735E-04    0.974025E+00
 114   -0.912622E+00    0.318939E+01 -0.100000E-04 0.100000E-04    0.268504E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.3642482460E-04    0.2659100860    

 Beginning of optimization cycle  545.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999346793
 potential> RMS force:                                               0.0859592812   |gradient|=.9177939718    
 Eigenvalues of the Hessian matrix:
   746.45718    674.14712    630.54288    600.84824    586.41466    578.88542 
   565.12311    487.44353    460.69550    459.81786    441.69146    429.28891 
   421.95965    408.04858    396.37624    387.56561    369.98973    360.55095 
   349.38762    335.28333    329.24480    321.85180    319.08689    309.49052 
   300.85723    290.57590    278.89994    272.70465    268.51683    264.93452 
   263.77515    253.24158    241.54562    240.75998    233.96184    227.51258 
   217.09148    214.88474    213.26303    207.64373    203.01721    195.48763 
   194.82911    191.34529    182.92868    174.31173    172.31806    168.20697 
   163.24863    156.88666    154.89212    152.26500    146.69956    143.37209 
   138.06262    135.87213    130.30771    128.82514    126.88177    124.13671 
   119.99928    118.16458    116.86676    110.35222    106.84797    104.42885 
   102.84482     99.52667     96.09682     94.11597     91.99727     91.21271 
    88.44625     85.59042     80.82737     80.46954     77.96079     73.29774 
    72.58781     67.92882     64.77656     61.37981     59.84843     59.39320 
    58.14238     55.87383     52.45562     52.04601     50.20274     46.19688 
    43.32215     40.90442     37.87083     36.22414     32.29813     28.88110 
    28.45033     26.28958     23.32725     21.31507     19.85866     16.46969 
    13.90257     12.23969     10.09187      8.97212      5.74197      3.18902 
overlap for current and previous eigenvector    109 is        -0.9999999740
overlap for current and previous eigenvector    110 is         0.9999999139
overlap for current and previous eigenvector    111 is         0.9999999251
overlap for current and previous eigenvector    112 is        -0.9999999709
overlap for current and previous eigenvector    113 is         0.9999999779
overlap for current and previous eigenvector    114 is         0.9999999968
J1,K1,R1,R2,RAT=   7   7   -0.5771022303E-01     2.057708033        0.9422897770    
FOB,PFOB,DIAG,PSTEP=   -0.5151784671E-06   -0.4870695443E-06     746.4571769        0.6525090692E-09
J1,K1,R1,R2,RAT=   8   8    0.8776716681E-01     1.912239075        0.9122328332    
FOB,PFOB,DIAG,PSTEP=   -0.1998675761E-06   -0.2190970428E-06     674.1471200        0.3249978418E-09
J1,K1,R1,R2,RAT=   9   9    0.5093294010         1.490672997        0.4906705990    
FOB,PFOB,DIAG,PSTEP=   -0.5837189662E-07   -0.1189633618E-06     630.5428827        0.1886679279E-09
J1,K1,R1,R2,RAT=  10  10   -0.1070212003         2.107022835        0.8929787997    
FOB,PFOB,DIAG,PSTEP=    0.2640871140E-06    0.2385565288E-06     600.8482413       -0.3970325906E-09
J1,K1,R1,R2,RAT=  11  11   -0.1115530631         2.111557661        0.8884469369    
FOB,PFOB,DIAG,PSTEP=   -0.1918432686E-06   -0.1725903326E-06     586.4146630        0.2943138135E-09
J1,K1,R1,R2,RAT= 109 109     2.035894370       -0.3593205371E-01    0.9640679463    
FOB,PFOB,DIAG,PSTEP=    0.1034115258E-04   -0.9982455686E-05     13.90257183        0.7180429561E-06
J1,K1,R1,R2,RAT= 110 110    0.9949820359         25.00509777        0.5017964140E-02
FOB,PFOB,DIAG,PSTEP=   -0.5352197919E-02   -0.5795789349E-02     12.23969055        0.3642482460E-04
J1,K1,R1,R2,RAT= 111 111   -0.1139941519         2.113963259        0.8860058481    
FOB,PFOB,DIAG,PSTEP=   -0.3073592949E-05   -0.2759070221E-05     10.09186776        0.2733996227E-06
J1,K1,R1,R2,RAT= 112 112     778.1387433        0.4985059800        0.5014940200    
FOB,PFOB,DIAG,PSTEP=   -0.3488540149E-01    0.3493012804E-01     8.972118422       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    0.1343792337         3007.169063        0.8656207663    
FOB,PFOB,DIAG,PSTEP=   -0.9041905971E-01   -0.9042714106E-01     5.741966965        0.1047347632E-04
J1,K1,R1,R2,RAT= 114 114    0.7839790320        -57236.01704        0.2160209680    
FOB,PFOB,DIAG,PSTEP=   -0.9126469910       -0.9126219898         3.189021660       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00001      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00001 
     0.00000     -0.00001     -0.00000     -0.00000     -0.00001     -0.00001 
     0.00001     -0.00535     -0.00000     -0.03489     -0.09042     -0.91265 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3840917202
 Log product of positive Hessian eigenvalues =          519.0684805209
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1890216601
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=        0.0000000001
 Unscaled step for mode   10=       -0.0000000004
 Unscaled step for mode   11=        0.0000000003
 Unscaled step for mode   12=        0.0000000012
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000022
 Unscaled step for mode   15=       -0.0000000002
 Unscaled step for mode   16=       -0.0000000001
 Unscaled step for mode   17=        0.0000000006
 Unscaled step for mode   18=        0.0000000001
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000015
 Unscaled step for mode   21=       -0.0000000003
 Unscaled step for mode   22=        0.0000000007
 Unscaled step for mode   23=       -0.0000000011
 Unscaled step for mode   24=       -0.0000000004
 Unscaled step for mode   25=        0.0000000011
 Unscaled step for mode   26=        0.0000000014
 Unscaled step for mode   27=       -0.0000000019
 Unscaled step for mode   28=       -0.0000000010
 Unscaled step for mode   29=       -0.0000000033
 Unscaled step for mode   30=        0.0000000032
 Unscaled step for mode   31=        0.0000000015
 Unscaled step for mode   32=        0.0000000057
 Unscaled step for mode   33=       -0.0000000029
 Unscaled step for mode   34=        0.0000000029
 Unscaled step for mode   35=        0.0000000001
 Unscaled step for mode   36=       -0.0000000092
 Unscaled step for mode   37=        0.0000000002
 Unscaled step for mode   38=       -0.0000000025
 Unscaled step for mode   39=        0.0000000035
 Unscaled step for mode   40=        0.0000000076
 Unscaled step for mode   41=        0.0000000048
 Unscaled step for mode   42=        0.0000000043
 Unscaled step for mode   43=       -0.0000000013
 Unscaled step for mode   44=        0.0000000072
 Unscaled step for mode   45=       -0.0000000017
 Unscaled step for mode   46=       -0.0000000082
 Unscaled step for mode   47=        0.0000000066
 Unscaled step for mode   48=       -0.0000000069
 Unscaled step for mode   49=       -0.0000000056
 Unscaled step for mode   50=       -0.0000000047
 Unscaled step for mode   51=       -0.0000000003
 Unscaled step for mode   52=        0.0000000001
 Unscaled step for mode   53=       -0.0000000067
 Unscaled step for mode   54=        0.0000000034
 Unscaled step for mode   55=       -0.0000000094
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000012
 Unscaled step for mode   58=       -0.0000000094
 Unscaled step for mode   59=        0.0000000009
 Unscaled step for mode   60=       -0.0000000045
 Unscaled step for mode   61=        0.0000000023
 Unscaled step for mode   62=       -0.0000000010
 Unscaled step for mode   63=       -0.0000000054
 Unscaled step for mode   64=       -0.0000000061
 Unscaled step for mode   65=       -0.0000000038
 Unscaled step for mode   66=       -0.0000000049
 Unscaled step for mode   67=        0.0000000121
 Unscaled step for mode   68=        0.0000000039
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000099
 Unscaled step for mode   71=        0.0000000023
 Unscaled step for mode   72=        0.0000000104
 Unscaled step for mode   73=        0.0000000019
 Unscaled step for mode   74=       -0.0000000240
 Unscaled step for mode   75=       -0.0000000035
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000472
 Unscaled step for mode   78=       -0.0000000010
 Unscaled step for mode   79=       -0.0000000069
 Unscaled step for mode   80=        0.0000000058
 Unscaled step for mode   81=       -0.0000000036
 Unscaled step for mode   82=       -0.0000000022
 Unscaled step for mode   83=       -0.0000000235
 Unscaled step for mode   84=       -0.0000000144
 Unscaled step for mode   85=        0.0000000561
 Unscaled step for mode   86=        0.0000000255
 Unscaled step for mode   87=        0.0000000045
 Unscaled step for mode   88=        0.0000000932
 Unscaled step for mode   89=       -0.0000000551
 Unscaled step for mode   90=        0.0000000723
 Unscaled step for mode   91=       -0.0000000089
 Unscaled step for mode   92=       -0.0000000102
 Unscaled step for mode   93=        0.0000000370
 Unscaled step for mode   94=       -0.0000000112
 Unscaled step for mode   95=        0.0000000762
 Unscaled step for mode   96=        0.0000000380
 Unscaled step for mode   97=        0.0000000092
 Unscaled step for mode   98=        0.0000000598
 Unscaled step for mode   99=       -0.0000000861
 Unscaled step for mode  100=       -0.0000000125
 Unscaled step for mode  101=        0.0000001800
 Unscaled step for mode  102=       -0.0000002333
 Unscaled step for mode  103=       -0.0000000529
 Unscaled step for mode  104=        0.0000003821
 Unscaled step for mode  105=        0.0000000581
 Unscaled step for mode  106=        0.0000002291
 Unscaled step for mode  107=        0.0000006490
 Unscaled step for mode  108=        0.0000007163
 Unscaled step for mode  109=       -0.0000007438
 Unscaled step for mode  110=        0.0004372820
 Unscaled step for mode  111=        0.0000003046
 Unscaled step for mode  112=        0.0038881424
 Unscaled step for mode  113=        0.0157431504
 Unscaled step for mode  114=       -0.2659433879
 Largest modulus ratio of non-zero e/values=           234.0709021    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.787998E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.149175E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.415900E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.318999E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.427753E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.330092E-14    0.974278E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.515178E-06    0.746457E+03  0.690165E-09 0.100000E-04    0.942290E+00
   8   -0.199868E-06    0.674147E+03  0.296475E-09 0.100000E-04    0.912233E+00
   9   -0.583719E-07    0.630543E+03  0.925740E-10 0.100000E-04    0.490671E+00
  10    0.264087E-06    0.600848E+03 -0.439524E-09 0.100000E-04    0.892979E+00
  11   -0.191843E-06    0.586415E+03  0.327146E-09 0.100000E-04    0.888447E+00
  12   -0.690563E-06    0.578885E+03  0.119292E-08 0.100000E-04    0.948442E+00
  13   -0.598190E-07    0.565123E+03  0.105851E-09 0.100000E-04    0.803676E+00
  14    0.105988E-05    0.487444E+03 -0.217437E-08 0.100000E-04    0.951726E+00
  15    0.924267E-07    0.460696E+03 -0.200624E-09 0.109000E-04    0.333362E-01
  16    0.300261E-07    0.459818E+03 -0.653000E-10 0.109000E-04    0.279370E-01
  17   -0.270477E-06    0.441691E+03  0.612366E-09 0.100000E-04    0.901607E+00
  18   -0.560204E-07    0.429289E+03  0.130496E-09 0.100000E-04    0.618187E+00
  19   -0.360520E-07    0.421960E+03  0.854394E-10 0.100000E-04    0.884187E+00
  20   -0.609150E-06    0.408049E+03  0.149284E-08 0.100000E-04    0.978738E+00
  21    0.129885E-06    0.396376E+03 -0.327682E-09 0.100000E-04    0.416273E+00
  22   -0.259038E-06    0.387566E+03  0.668371E-09 0.100000E-04    0.878946E+00
  23    0.423078E-06    0.369990E+03 -0.114349E-08 0.100000E-04    0.910762E+00
  24    0.153084E-06    0.360551E+03 -0.424585E-09 0.100000E-04    0.502358E+00
  25   -0.382663E-06    0.349388E+03  0.109524E-08 0.100000E-04    0.924948E+00
  26   -0.458160E-06    0.335283E+03  0.136649E-08 0.100000E-04    0.913555E+00
  27    0.636037E-06    0.329245E+03 -0.193181E-08 0.100000E-04    0.975230E+00
  28    0.316795E-06    0.321852E+03 -0.984287E-09 0.100000E-04    0.758079E+00
  29    0.103801E-05    0.319087E+03 -0.325306E-08 0.100000E-04    0.897444E+00
  30   -0.100325E-05    0.309491E+03  0.324161E-08 0.100000E-04    0.957517E+00
  31   -0.458775E-06    0.300857E+03  0.152489E-08 0.100000E-04    0.896387E+00
  32   -0.164717E-05    0.290576E+03  0.566863E-08 0.100000E-04    0.985828E+00
  33    0.803653E-06    0.278900E+03 -0.288151E-08 0.100000E-04    0.906082E+00
  34   -0.790257E-06    0.272705E+03  0.289785E-08 0.100000E-04    0.914375E+00
  35   -0.226367E-07    0.268517E+03  0.843026E-10 0.100000E-04    0.305294E+00
  36    0.244449E-05    0.264935E+03 -0.922677E-08 0.100000E-04    0.964198E+00
  37   -0.406279E-07    0.263775E+03  0.154025E-09 0.100000E-04    0.525117E+00
  38    0.631735E-06    0.253242E+03 -0.249459E-08 0.100000E-04    0.887336E+00
  39   -0.856933E-06    0.241546E+03  0.354770E-08 0.100000E-04    0.932253E+00
  40   -0.182436E-05    0.240760E+03  0.757749E-08 0.100000E-04    0.982752E+00
  41   -0.111177E-05    0.233962E+03  0.475192E-08 0.100000E-04    0.996759E+00
  42   -0.967491E-06    0.227513E+03  0.425247E-08 0.100000E-04    0.927272E+00
  43    0.288012E-06    0.217091E+03 -0.132669E-08 0.100000E-04    0.896831E+00
  44   -0.153793E-05    0.214885E+03  0.715701E-08 0.100000E-04    0.967474E+00
  45    0.365597E-06    0.213263E+03 -0.171430E-08 0.100000E-04    0.926894E+00
  46    0.169657E-05    0.207644E+03 -0.817057E-08 0.100000E-04    0.973377E+00
  47   -0.133552E-05    0.203017E+03  0.657837E-08 0.100000E-04    0.969402E+00
  48    0.134365E-05    0.195488E+03 -0.687331E-08 0.100000E-04    0.806270E+00
  49    0.108580E-05    0.194829E+03 -0.557309E-08 0.100000E-04    0.995512E+00
  50    0.899024E-06    0.191345E+03 -0.469844E-08 0.100000E-04    0.945508E+00
  51    0.626673E-07    0.182929E+03 -0.342578E-09 0.100000E-04    0.769196E+00
  52   -0.166169E-07    0.174312E+03  0.953287E-10 0.100000E-04    0.434516E+00
  53    0.115032E-05    0.172318E+03 -0.667559E-08 0.100000E-04    0.915946E+00
  54   -0.575944E-06    0.168207E+03  0.342402E-08 0.100000E-04    0.946630E+00
  55    0.153091E-05    0.163249E+03 -0.937777E-08 0.100000E-04    0.968672E+00
  56    0.135696E-05    0.156887E+03 -0.864930E-08 0.100000E-04    0.993955E+00
  57   -0.185011E-06    0.154892E+03  0.119445E-08 0.100000E-04    0.907245E+00
  58    0.143660E-05    0.152265E+03 -0.943487E-08 0.100000E-04    0.974165E+00
  59   -0.130405E-06    0.146700E+03  0.888927E-09 0.109000E-04    0.459610E-01
  60    0.645351E-06    0.143372E+03 -0.450123E-08 0.100000E-04    0.876049E+00
  61   -0.311959E-06    0.138063E+03  0.225954E-08 0.100000E-04    0.372451E+00
  62    0.132843E-06    0.135872E+03 -0.977706E-09 0.100000E-04    0.147812E+01
  63    0.701823E-06    0.130308E+03 -0.538589E-08 0.100000E-04    0.846212E+00
  64    0.786427E-06    0.128825E+03 -0.610461E-08 0.100000E-04    0.888178E+00
  65    0.485415E-06    0.126882E+03 -0.382573E-08 0.100000E-04    0.855300E+00
  66    0.603754E-06    0.124137E+03 -0.486362E-08 0.100000E-04    0.991322E+00
  67   -0.145252E-05    0.119999E+03  0.121044E-07 0.100000E-04    0.967789E+00
  68   -0.456175E-06    0.118165E+03  0.386051E-08 0.100000E-04    0.797484E+00
  69    0.726326E-07    0.116867E+03 -0.621499E-09 0.100000E-04    0.803427E+00
  70    0.108960E-05    0.110352E+03 -0.987380E-08 0.100000E-04    0.969617E+00
  71   -0.250884E-06    0.106848E+03  0.234805E-08 0.100000E-04    0.848637E+00
  72   -0.108455E-05    0.104429E+03  0.103856E-07 0.100000E-04    0.986721E+00
  73   -0.198355E-06    0.102845E+03  0.192869E-08 0.100000E-04    0.772341E+00
  74    0.238380E-05    0.995267E+02 -0.239514E-07 0.100000E-04    0.913757E+00
  75    0.335107E-06    0.960968E+02 -0.348718E-08 0.100000E-04    0.951103E+00
  76    0.159211E-06    0.941160E+02 -0.169164E-08 0.100000E-04    0.948553E+00
  77   -0.434249E-05    0.919973E+02  0.472024E-07 0.100000E-04    0.944374E+00
  78    0.894947E-07    0.912127E+02 -0.981164E-09 0.100000E-04    0.322428E+02
  79    0.608717E-06    0.884462E+02 -0.688234E-08 0.100000E-04    0.781554E+00
  80   -0.498151E-06    0.855904E+02  0.582017E-08 0.100000E-04    0.800416E+00
  81    0.289055E-06    0.808274E+02 -0.357621E-08 0.100000E-04    0.756090E+00
  82    0.179299E-06    0.804695E+02 -0.222816E-08 0.100000E-04    0.649592E+00
  83    0.183386E-05    0.779608E+02 -0.235229E-07 0.100000E-04    0.926090E+00
  84    0.105838E-05    0.732977E+02 -0.144394E-07 0.100000E-04    0.848002E+00
  85   -0.407133E-05    0.725878E+02  0.560884E-07 0.100000E-04    0.962839E+00
  86   -0.172937E-05    0.679288E+02  0.254586E-07 0.100000E-04    0.868223E+00
  87   -0.289468E-06    0.647766E+02  0.446871E-08 0.100000E-04    0.795549E+00
  88   -0.571950E-05    0.613798E+02  0.931821E-07 0.100000E-04    0.936532E+00
  89    0.329943E-05    0.598484E+02 -0.551298E-07 0.100000E-04    0.976421E+00
  90   -0.429165E-05    0.593932E+02  0.722582E-07 0.100000E-04    0.858784E+00
  91    0.517004E-06    0.581424E+02 -0.889203E-08 0.100000E-04    0.672057E+00
  92    0.567464E-06    0.558738E+02 -0.101562E-07 0.100000E-04    0.668137E+00
  93   -0.193924E-05    0.524556E+02  0.369692E-07 0.100000E-04    0.936615E+00
  94    0.584789E-06    0.520460E+02 -0.112360E-07 0.100000E-04    0.992853E+00
  95   -0.382645E-05    0.502027E+02  0.762198E-07 0.100000E-04    0.962620E+00
  96   -0.175678E-05    0.461969E+02  0.380280E-07 0.100000E-04    0.991145E+00
  97   -0.396983E-06    0.433221E+02  0.916351E-08 0.100000E-04    0.431357E+01
  98   -0.244764E-05    0.409044E+02  0.598381E-07 0.100000E-04    0.879662E+00
  99    0.326058E-05    0.378708E+02 -0.860975E-07 0.100000E-04    0.979953E+00
 100    0.451914E-06    0.362241E+02 -0.124755E-07 0.100000E-04    0.802160E+00
 101   -0.581264E-05    0.322981E+02  0.179968E-06 0.100000E-04    0.917829E+00
 102    0.673929E-05    0.288811E+02 -0.233346E-06 0.100000E-04    0.904375E+00
 103    0.150482E-05    0.284503E+02 -0.528930E-07 0.100000E-04    0.693563E+00
 104   -0.100464E-04    0.262896E+02  0.382142E-06 0.100000E-04    0.924636E+00
 105   -0.135533E-05    0.233273E+02  0.581008E-07 0.100000E-04    0.756546E+00
 106   -0.488392E-05    0.213151E+02  0.229130E-06 0.100000E-04    0.973633E+00
 107   -0.128885E-04    0.198587E+02  0.649012E-06 0.100000E-04    0.939961E+00
 108   -0.117975E-04    0.164697E+02  0.716315E-06 0.100000E-04    0.908198E+00
 109    0.103412E-04    0.139026E+02 -0.743830E-06 0.100000E-04    0.964068E+00
 110   -0.535220E-02    0.122397E+02  0.397031E-04 0.397031E-04    0.501796E-02
 111   -0.307359E-05    0.100919E+02  0.304561E-06 0.100000E-04    0.886006E+00
 112   -0.348854E-01    0.897212E+01  0.100000E-04 0.100000E-04    0.501494E+00
 113   -0.904191E-01    0.574197E+01  0.100000E-04 0.100000E-04    0.865621E+00
 114   -0.912647E+00    0.318902E+01 -0.100000E-04 0.100000E-04    0.216021E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.3970305881E-04    0.2659433879    

 Beginning of optimization cycle  546.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999270079
 potential> RMS force:                                               0.0859611488   |gradient|=.9178139122    
 Eigenvalues of the Hessian matrix:
   746.45774    674.14489    630.54182    600.84792    586.41323    578.88401 
   565.12225    487.44567    460.69403    459.81651    441.69185    429.29151 
   421.95749    408.04675    396.37533    387.56351    369.99099    360.55179 
   349.38723    335.28162    329.24581    321.85087    319.08761    309.48718 
   300.85662    290.57768    278.90170    272.70516    268.51750    264.93464 
   263.77740    253.24217    241.54698    240.75907    233.96281    227.51183 
   217.09217    214.88474    213.26415    207.64431    203.01756    195.48663 
   194.82856    191.34469    182.92820    174.31244    172.31875    168.20642 
   163.24789    156.88673    154.89147    152.26488    146.69943    143.37171 
   138.06287    135.87224    130.30745    128.82545    126.88230    124.13630 
   119.99955    118.16422    116.86614    110.35210    106.84686    104.42998 
   102.84551     99.52573     96.09707     94.11585     91.99682     91.21333 
    88.44627     85.59066     80.82769     80.46928     77.96147     73.29748 
    72.58756     67.92917     64.77670     61.37943     59.84849     59.39338 
    58.14219     55.87492     52.45522     52.04629     50.20352     46.19543 
    43.32119     40.90495     37.87077     36.22425     32.29736     28.88146 
    28.45030     26.28931     23.32817     21.31505     19.85880     16.46895 
    13.90285     12.23994     10.09204      8.97345      5.74170      3.18864 
overlap for current and previous eigenvector    109 is        -0.9999999707
overlap for current and previous eigenvector    110 is         0.9999998969
overlap for current and previous eigenvector    111 is         0.9999999118
overlap for current and previous eigenvector    112 is        -0.9999999713
overlap for current and previous eigenvector    113 is         0.9999999793
overlap for current and previous eigenvector    114 is         0.9999999975
J1,K1,R1,R2,RAT=   7   7   -0.5557254448E-01     2.055571029        0.9444274555    
FOB,PFOB,DIAG,PSTEP=   -0.5438082671E-06   -0.5151784671E-06     746.4577426        0.6901647985E-09
J1,K1,R1,R2,RAT=   8   8    0.6568693673E-01     1.934319690        0.9343130633    
FOB,PFOB,DIAG,PSTEP=   -0.1867389308E-06   -0.1998675761E-06     674.1448863        0.2964747162E-09
J1,K1,R1,R2,RAT=   9   9    0.8734234047         1.126579971        0.1265765953    
FOB,PFOB,DIAG,PSTEP=   -0.7388601982E-08   -0.5837189662E-07     630.5418185        0.9257403141E-10
J1,K1,R1,R2,RAT=  10  10   -0.7350197874E-01     2.073503056        0.9264980213    
FOB,PFOB,DIAG,PSTEP=    0.2834980290E-06    0.2640871140E-06     600.8479178       -0.4395238195E-09
J1,K1,R1,R2,RAT=  11  11   -0.9774059686E-01     2.097745489        0.9022594031    
FOB,PFOB,DIAG,PSTEP=   -0.2105940983E-06   -0.1918432686E-06     586.4132287        0.3271460976E-09
J1,K1,R1,R2,RAT= 109 109     2.046210458       -0.4625073296E-01    0.9537492670    
FOB,PFOB,DIAG,PSTEP=   -0.1081944810E-04    0.1034115258E-04     13.90285180       -0.7438301850E-06
J1,K1,R1,R2,RAT= 110 110    0.9940475387         21.03313395        0.5952461270E-02
FOB,PFOB,DIAG,PSTEP=   -0.4869127566E-02   -0.5352197919E-02     12.23993928        0.3970305881E-04
J1,K1,R1,R2,RAT= 111 111   -0.9466253877E-01     2.094627628        0.9053374612    
FOB,PFOB,DIAG,PSTEP=   -0.3364552139E-05   -0.3073592949E-05     10.09204392        0.3045613578E-06
J1,K1,R1,R2,RAT= 112 112     777.0238497        0.5010980770        0.4989019230    
FOB,PFOB,DIAG,PSTEP=    0.3484043571E-01   -0.3488540149E-01     8.973448786        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    0.2919189896         3149.264880        0.7080810104    
FOB,PFOB,DIAG,PSTEP=   -0.9040229860E-01   -0.9041905971E-01     5.741700530        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.8196572165        -57244.49891        0.1803427835    
FOB,PFOB,DIAG,PSTEP=   -0.9126731269       -0.9126469910         3.188638477       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00001      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00001 
     0.00000     -0.00001     -0.00000      0.00000      0.00001      0.00001 
    -0.00001     -0.00487     -0.00000      0.03484     -0.09040     -0.91267 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3840375258
 Log product of positive Hessian eigenvalues =          519.0684851241
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1886384768
 Unscaled step for mode    7=        0.0000000007
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=        0.0000000000
 Unscaled step for mode   10=       -0.0000000005
 Unscaled step for mode   11=        0.0000000004
 Unscaled step for mode   12=        0.0000000012
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000023
 Unscaled step for mode   15=       -0.0000000003
 Unscaled step for mode   16=       -0.0000000001
 Unscaled step for mode   17=        0.0000000006
 Unscaled step for mode   18=        0.0000000001
 Unscaled step for mode   19=        0.0000000000
 Unscaled step for mode   20=        0.0000000016
 Unscaled step for mode   21=       -0.0000000004
 Unscaled step for mode   22=        0.0000000006
 Unscaled step for mode   23=       -0.0000000011
 Unscaled step for mode   24=       -0.0000000006
 Unscaled step for mode   25=        0.0000000011
 Unscaled step for mode   26=        0.0000000014
 Unscaled step for mode   27=       -0.0000000020
 Unscaled step for mode   28=       -0.0000000011
 Unscaled step for mode   29=       -0.0000000035
 Unscaled step for mode   30=        0.0000000032
 Unscaled step for mode   31=        0.0000000014
 Unscaled step for mode   32=        0.0000000058
 Unscaled step for mode   33=       -0.0000000031
 Unscaled step for mode   34=        0.0000000031
 Unscaled step for mode   35=        0.0000000004
 Unscaled step for mode   36=       -0.0000000096
 Unscaled step for mode   37=        0.0000000001
 Unscaled step for mode   38=       -0.0000000028
 Unscaled step for mode   39=        0.0000000037
 Unscaled step for mode   40=        0.0000000077
 Unscaled step for mode   41=        0.0000000048
 Unscaled step for mode   42=        0.0000000040
 Unscaled step for mode   43=       -0.0000000014
 Unscaled step for mode   44=        0.0000000070
 Unscaled step for mode   45=       -0.0000000016
 Unscaled step for mode   46=       -0.0000000084
 Unscaled step for mode   47=        0.0000000068
 Unscaled step for mode   48=       -0.0000000079
 Unscaled step for mode   49=       -0.0000000057
 Unscaled step for mode   50=       -0.0000000047
 Unscaled step for mode   51=       -0.0000000003
 Unscaled step for mode   52=       -0.0000000003
 Unscaled step for mode   53=       -0.0000000072
 Unscaled step for mode   54=        0.0000000036
 Unscaled step for mode   55=       -0.0000000097
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000012
 Unscaled step for mode   58=        0.0000000097
 Unscaled step for mode   59=        0.0000000014
 Unscaled step for mode   60=        0.0000000049
 Unscaled step for mode   61=       -0.0000000027
 Unscaled step for mode   62=       -0.0000000016
 Unscaled step for mode   63=       -0.0000000049
 Unscaled step for mode   64=       -0.0000000065
 Unscaled step for mode   65=        0.0000000036
 Unscaled step for mode   66=       -0.0000000050
 Unscaled step for mode   67=        0.0000000119
 Unscaled step for mode   68=       -0.0000000045
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=        0.0000000098
 Unscaled step for mode   71=        0.0000000021
 Unscaled step for mode   72=        0.0000000100
 Unscaled step for mode   73=        0.0000000022
 Unscaled step for mode   74=        0.0000000259
 Unscaled step for mode   75=       -0.0000000032
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000497
 Unscaled step for mode   78=       -0.0000000019
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000067
 Unscaled step for mode   81=        0.0000000024
 Unscaled step for mode   82=       -0.0000000013
 Unscaled step for mode   83=       -0.0000000251
 Unscaled step for mode   84=       -0.0000000154
 Unscaled step for mode   85=       -0.0000000594
 Unscaled step for mode   86=        0.0000000281
 Unscaled step for mode   87=       -0.0000000044
 Unscaled step for mode   88=       -0.0000000991
 Unscaled step for mode   89=       -0.0000000572
 Unscaled step for mode   90=       -0.0000000815
 Unscaled step for mode   91=        0.0000000130
 Unscaled step for mode   92=        0.0000000155
 Unscaled step for mode   93=        0.0000000350
 Unscaled step for mode   94=       -0.0000000106
 Unscaled step for mode   95=       -0.0000000808
 Unscaled step for mode   96=        0.0000000396
 Unscaled step for mode   97=        0.0000000141
 Unscaled step for mode   98=       -0.0000000650
 Unscaled step for mode   99=       -0.0000000919
 Unscaled step for mode  100=       -0.0000000110
 Unscaled step for mode  101=       -0.0000001721
 Unscaled step for mode  102=       -0.0000002519
 Unscaled step for mode  103=       -0.0000000652
 Unscaled step for mode  104=        0.0000004056
 Unscaled step for mode  105=        0.0000000460
 Unscaled step for mode  106=       -0.0000002267
 Unscaled step for mode  107=       -0.0000006409
 Unscaled step for mode  108=       -0.0000006800
 Unscaled step for mode  109=        0.0000007782
 Unscaled step for mode  110=        0.0003978065
 Unscaled step for mode  111=        0.0000003334
 Unscaled step for mode  112=       -0.0038825552
 Unscaled step for mode  113=        0.0157409636
 Unscaled step for mode  114=       -0.2659777343
 Largest modulus ratio of non-zero e/values=           234.0992082    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.112974E-14    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.140561E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.949761E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.683346E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.618577E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.345289E-14    0.974279E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.543808E-06    0.746458E+03  0.728518E-09 0.100000E-04    0.944427E+00
   8   -0.186739E-06    0.674145E+03  0.277001E-09 0.100000E-04    0.934313E+00
   9   -0.738860E-08    0.630542E+03  0.117179E-10 0.109000E-04    0.126577E+00
  10    0.283498E-06    0.600848E+03 -0.471830E-09 0.100000E-04    0.926498E+00
  11   -0.210594E-06    0.586413E+03  0.359122E-09 0.100000E-04    0.902259E+00
  12   -0.671667E-06    0.578884E+03  0.116028E-08 0.100000E-04    0.972637E+00
  13   -0.715170E-07    0.565122E+03  0.126551E-09 0.100000E-04    0.804444E+00
  14    0.112312E-05    0.487446E+03 -0.230409E-08 0.100000E-04    0.940340E+00
  15    0.131435E-06    0.460694E+03 -0.285299E-09 0.100000E-04    0.577949E+00
  16    0.374380E-07    0.459817E+03 -0.814194E-10 0.100000E-04    0.753151E+00
  17   -0.257881E-06    0.441692E+03  0.583848E-09 0.100000E-04    0.953430E+00
  18   -0.294422E-07    0.429292E+03  0.685833E-10 0.100000E-04    0.525553E+00
  19   -0.182734E-07    0.421957E+03  0.433062E-10 0.100000E-04    0.506859E+00
  20   -0.634353E-06    0.408047E+03  0.155461E-08 0.100000E-04    0.958627E+00
  21    0.168860E-06    0.396375E+03 -0.426011E-09 0.100000E-04    0.699926E+00
  22   -0.224264E-06    0.387564E+03  0.578652E-09 0.100000E-04    0.865759E+00
  23    0.400633E-06    0.369991E+03 -0.108282E-08 0.100000E-04    0.946942E+00
  24    0.204661E-06    0.360552E+03 -0.567633E-09 0.100000E-04    0.663086E+00
  25   -0.399291E-06    0.349387E+03  0.114283E-08 0.100000E-04    0.956545E+00
  26   -0.475295E-06    0.335282E+03  0.141760E-08 0.100000E-04    0.962601E+00
  27    0.670051E-06    0.329246E+03 -0.203511E-08 0.100000E-04    0.946523E+00
  28    0.367253E-06    0.321851E+03 -0.114107E-08 0.100000E-04    0.840721E+00
  29    0.111277E-05    0.319088E+03 -0.348736E-08 0.100000E-04    0.927975E+00
  30   -0.982395E-06    0.309487E+03  0.317427E-08 0.100000E-04    0.979216E+00
  31   -0.419664E-06    0.300857E+03  0.139490E-08 0.100000E-04    0.914748E+00
  32   -0.169052E-05    0.290578E+03  0.581778E-08 0.100000E-04    0.973682E+00
  33    0.860820E-06    0.278902E+03 -0.308646E-08 0.100000E-04    0.928866E+00
  34   -0.838462E-06    0.272705E+03  0.307461E-08 0.100000E-04    0.939001E+00
  35   -0.112488E-06    0.268518E+03  0.418921E-09 0.100000E-04    0.296926E+01
  36    0.254768E-05    0.264935E+03 -0.961624E-08 0.100000E-04    0.957788E+00
  37   -0.200671E-07    0.263777E+03  0.760758E-10 0.100000E-04    0.493910E+00
  38    0.702433E-06    0.253242E+03 -0.277376E-08 0.100000E-04    0.888088E+00
  39   -0.900546E-06    0.241547E+03  0.372824E-08 0.100000E-04    0.949106E+00
  40   -0.186533E-05    0.240759E+03  0.774771E-08 0.100000E-04    0.977540E+00
  41   -0.111176E-05    0.233963E+03  0.475186E-08 0.100000E-04    0.999983E+00
  42   -0.915721E-06    0.227512E+03  0.402494E-08 0.100000E-04    0.946490E+00
  43    0.314527E-06    0.217092E+03 -0.144882E-08 0.100000E-04    0.907940E+00
  44   -0.150781E-05    0.214885E+03  0.701684E-08 0.100000E-04    0.980415E+00
  45    0.333313E-06    0.213264E+03 -0.156291E-08 0.100000E-04    0.911685E+00
  46    0.174961E-05    0.207644E+03 -0.842598E-08 0.100000E-04    0.968738E+00
  47   -0.138766E-05    0.203018E+03  0.683519E-08 0.100000E-04    0.960957E+00
  48    0.154299E-05    0.195487E+03 -0.789310E-08 0.100000E-04    0.851636E+00
  49    0.110769E-05    0.194829E+03 -0.568544E-08 0.100000E-04    0.979842E+00
  50    0.905172E-06    0.191345E+03 -0.473058E-08 0.100000E-04    0.993162E+00
  51    0.543991E-07    0.182928E+03 -0.297379E-09 0.100000E-04    0.868061E+00
  52    0.574496E-07    0.174312E+03 -0.329578E-09 0.100000E-04    0.145729E+01
  53    0.123841E-05    0.172319E+03 -0.718674E-08 0.100000E-04    0.923426E+00
  54   -0.603937E-06    0.168206E+03  0.359045E-08 0.100000E-04    0.951396E+00
  55    0.158582E-05    0.163248E+03 -0.971419E-08 0.100000E-04    0.964130E+00
  56    0.136344E-05    0.156887E+03 -0.869059E-08 0.100000E-04    0.995225E+00
  57   -0.185810E-06    0.154891E+03  0.119961E-08 0.100000E-04    0.995680E+00
  58   -0.148037E-05    0.152265E+03  0.972233E-08 0.100000E-04    0.969533E+00
  59   -0.199746E-06    0.146699E+03  0.136160E-08 0.100000E-04    0.468268E+00
  60   -0.704500E-06    0.143372E+03  0.491380E-08 0.100000E-04    0.908345E+00
  61    0.378269E-06    0.138063E+03 -0.273983E-08 0.100000E-04    0.787439E+00
  62    0.222814E-06    0.135872E+03 -0.163988E-08 0.100000E-04    0.322726E+00
  63    0.633886E-06    0.130307E+03 -0.486454E-08 0.100000E-04    0.903199E+00
  64    0.831549E-06    0.128825E+03 -0.645485E-08 0.100000E-04    0.942624E+00
  65   -0.452290E-06    0.126882E+03  0.356464E-08 0.100000E-04    0.931751E+00
  66    0.624963E-06    0.124136E+03 -0.503449E-08 0.100000E-04    0.964871E+00
  67   -0.143179E-05    0.120000E+03  0.119316E-07 0.100000E-04    0.985726E+00
  68    0.528043E-06    0.118164E+03 -0.446872E-08 0.100000E-04    0.842455E+00
  69   -0.701169E-07    0.116866E+03  0.599976E-09 0.100000E-04    0.965364E+00
  70   -0.108228E-05    0.110352E+03  0.980754E-08 0.100000E-04    0.993288E+00
  71   -0.222169E-06    0.106847E+03  0.207933E-08 0.100000E-04    0.885544E+00
  72   -0.104818E-05    0.104430E+03  0.100372E-07 0.100000E-04    0.966444E+00
  73   -0.222009E-06    0.102846E+03  0.215867E-08 0.100000E-04    0.880751E+00
  74   -0.257750E-05    0.995257E+02  0.258978E-07 0.100000E-04    0.918743E+00
  75    0.305819E-06    0.960971E+02 -0.318239E-08 0.100000E-04    0.912595E+00
  76    0.163375E-06    0.941159E+02 -0.173589E-08 0.100000E-04    0.973846E+00
  77   -0.457535E-05    0.919968E+02  0.497338E-07 0.100000E-04    0.946375E+00
  78    0.170690E-06    0.912133E+02 -0.187133E-08 0.109000E-04    0.927360E-01
  79   -0.719245E-06    0.884463E+02  0.813200E-08 0.100000E-04    0.818423E+00
  80   -0.573403E-06    0.855907E+02  0.669937E-08 0.100000E-04    0.848937E+00
  81   -0.196928E-06    0.808277E+02  0.243640E-08 0.100000E-04    0.681275E+00
  82    0.104833E-06    0.804693E+02 -0.130277E-08 0.100000E-04    0.584681E+00
  83    0.195386E-05    0.779615E+02 -0.250619E-07 0.100000E-04    0.934563E+00
  84    0.113107E-05    0.732975E+02 -0.154312E-07 0.100000E-04    0.931318E+00
  85    0.431219E-05    0.725876E+02 -0.594067E-07 0.100000E-04    0.940841E+00
  86   -0.191193E-05    0.679292E+02  0.281459E-07 0.100000E-04    0.894439E+00
  87    0.286474E-06    0.647767E+02 -0.442249E-08 0.100000E-04    0.989655E+00
  88    0.608510E-05    0.613794E+02 -0.991391E-07 0.100000E-04    0.936078E+00
  89    0.342597E-05    0.598485E+02 -0.572441E-07 0.100000E-04    0.961647E+00
  90    0.484330E-05    0.593934E+02 -0.815461E-07 0.100000E-04    0.871460E+00
  91   -0.754428E-06    0.581422E+02  0.129756E-07 0.100000E-04    0.540768E+00
  92   -0.867256E-06    0.558749E+02  0.155214E-07 0.100000E-04    0.471710E+00
  93   -0.183554E-05    0.524552E+02  0.349925E-07 0.100000E-04    0.946524E+00
  94    0.552709E-06    0.520463E+02 -0.106196E-07 0.100000E-04    0.945132E+00
  95    0.405587E-05    0.502035E+02 -0.807886E-07 0.100000E-04    0.940042E+00
  96   -0.182755E-05    0.461954E+02  0.395613E-07 0.100000E-04    0.959712E+00
  97   -0.611887E-06    0.433212E+02  0.141244E-07 0.100000E-04    0.458644E+00
  98    0.265815E-05    0.409049E+02 -0.649835E-07 0.100000E-04    0.913998E+00
  99    0.348044E-05    0.378708E+02 -0.919031E-07 0.100000E-04    0.932571E+00
 100    0.399010E-06    0.362242E+02 -0.110150E-07 0.100000E-04    0.882927E+00
 101    0.555739E-05    0.322974E+02 -0.172070E-06 0.100000E-04    0.956087E+00
 102    0.727460E-05    0.288815E+02 -0.251878E-06 0.100000E-04    0.920570E+00
 103    0.185570E-05    0.284503E+02 -0.652261E-07 0.100000E-04    0.766831E+00
 104   -0.106620E-04    0.262893E+02  0.405565E-06 0.100000E-04    0.938717E+00
 105   -0.107203E-05    0.233282E+02  0.459543E-07 0.100000E-04    0.790900E+00
 106    0.483310E-05    0.213150E+02 -0.226746E-06 0.100000E-04    0.989596E+00
 107    0.127270E-04    0.198588E+02 -0.640874E-06 0.100000E-04    0.987453E+00
 108    0.111985E-04    0.164689E+02 -0.679977E-06 0.100000E-04    0.949226E+00
 109   -0.108194E-04    0.139029E+02  0.778218E-06 0.100000E-04    0.953749E+00
 110   -0.486913E-02    0.122399E+02  0.432763E-04 0.432763E-04    0.595246E-02
 111   -0.336455E-05    0.100920E+02  0.333387E-06 0.100000E-04    0.905337E+00
 112    0.348404E-01    0.897345E+01 -0.100000E-04 0.100000E-04    0.498902E+00
 113   -0.904023E-01    0.574170E+01  0.100000E-04 0.100000E-04    0.708081E+00
 114   -0.912673E+00    0.318864E+01 -0.109000E-04 0.109000E-04    0.180343E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4327633410E-04    0.2659777343    

 Beginning of optimization cycle  547.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999185105
 potential> RMS force:                                               0.0859632883   |gradient|=.9178367557    
 Eigenvalues of the Hessian matrix:
   746.45825    674.14248    630.54050    600.84772    586.41168    578.88254 
   565.12151    487.44804    460.69249    459.81505    441.69231    429.29428 
   421.95519    408.04486    396.37437    387.56133    369.99235    360.55269 
   349.38688    335.27974    329.24688    321.84986    319.08839    309.48362 
   300.85599    290.57965    278.90355    272.70573    268.51828    264.93478 
   263.77987    253.24287    241.54847    240.75807    233.96384    227.51101 
   217.09290    214.88472    213.26539    207.64493    203.01795    195.48558 
   194.82795    191.34401    182.92764    174.31319    172.31949    168.20583 
   163.24708    156.88679    154.89073    152.26477    146.69931    143.37131 
   138.06313    135.87236    130.30716    128.82577    126.88286    124.13589 
   119.99984    118.16382    116.86547    110.35195    106.84565    104.43119 
   102.84623     99.52470     96.09737     94.11573     91.99634     91.21401 
    88.44631     85.59091     80.82803     80.46897     77.96220     73.29722 
    72.58730     67.92954     64.77686     61.37904     59.84855     59.39356 
    58.14196     55.87610     52.45479     52.04661     50.20433     46.19386 
    43.32013     40.90552     37.87069     36.22436     32.29651     28.88183 
    28.45026     26.28898     23.32919     21.31500     19.85896     16.46814 
    13.90315     12.24021     10.09224      8.97480      5.74138      3.18823 
overlap for current and previous eigenvector    109 is        -0.9999999663
overlap for current and previous eigenvector    110 is         0.9999998769
overlap for current and previous eigenvector    111 is         0.9999998957
overlap for current and previous eigenvector    112 is        -0.9999999707
overlap for current and previous eigenvector    113 is         0.9999999798
overlap for current and previous eigenvector    114 is         0.9999999977
J1,K1,R1,R2,RAT=   7   7   -0.9086162240E-01     2.090860272        0.9091383776    
FOB,PFOB,DIAG,PSTEP=   -0.5932196018E-06   -0.5438082671E-06     746.4582465        0.7285184894E-09
J1,K1,R1,R2,RAT=   8   8   -0.4391572405E-01     2.043922860        0.9560842759    
FOB,PFOB,DIAG,PSTEP=   -0.1949396769E-06   -0.1867389308E-06     674.1424808        0.2770011827E-09
J1,K1,R1,R2,RAT=   9   9     4.837570255        -2.837566067         1.837566067    
FOB,PFOB,DIAG,PSTEP=    0.2835420434E-07   -0.7388601982E-08     630.5404980        0.1171786195E-10
J1,K1,R1,R2,RAT=  10  10   -0.8734776694E-01     2.087348430        0.9126522331    
FOB,PFOB,DIAG,PSTEP=    0.3082609405E-06    0.2834980290E-06     600.8477186       -0.4718299266E-09
J1,K1,R1,R2,RAT=  11  11   -0.1310251363         2.131030432        0.8689748637    
FOB,PFOB,DIAG,PSTEP=   -0.2381871456E-06   -0.2105940983E-06     586.4116760        0.3591223526E-09
J1,K1,R1,R2,RAT= 109 109     2.064293440       -0.6433664954E-01    0.9356633505    
FOB,PFOB,DIAG,PSTEP=    0.1151555018E-04   -0.1081944810E-04     13.90315218        0.7782178972E-06
J1,K1,R1,R2,RAT= 110 110    0.9931345576         17.39094511        0.6865442367E-02
FOB,PFOB,DIAG,PSTEP=   -0.4343052947E-02   -0.4869127566E-02     12.24020778        0.4327633410E-04
J1,K1,R1,R2,RAT= 111 111   -0.1512625265         2.151222994        0.8487374735    
FOB,PFOB,DIAG,PSTEP=   -0.3873492856E-05   -0.3364552139E-05     10.09224341        0.3333865930E-06
J1,K1,R1,R2,RAT= 112 112     775.9160132        0.4894674011        0.5105325989    
FOB,PFOB,DIAG,PSTEP=   -0.3479650697E-01    0.3484043571E-01     8.974804167       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    0.3983684354         3148.749593        0.6016315646    
FOB,PFOB,DIAG,PSTEP=   -0.9037942674E-01   -0.9040229860E-01     5.741381460        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.8508352631        -52526.21906        0.1491647369    
FOB,PFOB,DIAG,PSTEP=   -0.9127026949       -0.9126731269         3.188230082       -0.1090000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00001      0.00001 
    -0.00000     -0.00001     -0.00000     -0.00000      0.00001     -0.00001 
     0.00001     -0.00434     -0.00000     -0.03480     -0.09038     -0.91270 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3839803871
 Log product of positive Hessian eigenvalues =          519.0684730968
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1882300823
 Unscaled step for mode    7=        0.0000000008
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000000
 Unscaled step for mode   10=       -0.0000000005
 Unscaled step for mode   11=        0.0000000004
 Unscaled step for mode   12=        0.0000000012
 Unscaled step for mode   13=        0.0000000002
 Unscaled step for mode   14=       -0.0000000025
 Unscaled step for mode   15=       -0.0000000004
 Unscaled step for mode   16=       -0.0000000001
 Unscaled step for mode   17=        0.0000000006
 Unscaled step for mode   18=       -0.0000000000
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000016
 Unscaled step for mode   21=       -0.0000000005
 Unscaled step for mode   22=        0.0000000006
 Unscaled step for mode   23=       -0.0000000011
 Unscaled step for mode   24=       -0.0000000007
 Unscaled step for mode   25=        0.0000000013
 Unscaled step for mode   26=        0.0000000016
 Unscaled step for mode   27=       -0.0000000021
 Unscaled step for mode   28=       -0.0000000013
 Unscaled step for mode   29=       -0.0000000039
 Unscaled step for mode   30=        0.0000000033
 Unscaled step for mode   31=        0.0000000015
 Unscaled step for mode   32=        0.0000000061
 Unscaled step for mode   33=       -0.0000000034
 Unscaled step for mode   34=        0.0000000034
 Unscaled step for mode   35=        0.0000000006
 Unscaled step for mode   36=       -0.0000000104
 Unscaled step for mode   37=       -0.0000000001
 Unscaled step for mode   38=       -0.0000000030
 Unscaled step for mode   39=        0.0000000042
 Unscaled step for mode   40=        0.0000000083
 Unscaled step for mode   41=        0.0000000052
 Unscaled step for mode   42=        0.0000000041
 Unscaled step for mode   43=       -0.0000000015
 Unscaled step for mode   44=        0.0000000074
 Unscaled step for mode   45=       -0.0000000016
 Unscaled step for mode   46=       -0.0000000091
 Unscaled step for mode   47=        0.0000000074
 Unscaled step for mode   48=       -0.0000000089
 Unscaled step for mode   49=       -0.0000000062
 Unscaled step for mode   50=       -0.0000000049
 Unscaled step for mode   51=       -0.0000000001
 Unscaled step for mode   52=       -0.0000000006
 Unscaled step for mode   53=        0.0000000079
 Unscaled step for mode   54=        0.0000000042
 Unscaled step for mode   55=       -0.0000000105
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=       -0.0000000010
 Unscaled step for mode   58=        0.0000000105
 Unscaled step for mode   59=        0.0000000017
 Unscaled step for mode   60=        0.0000000057
 Unscaled step for mode   61=       -0.0000000036
 Unscaled step for mode   62=       -0.0000000020
 Unscaled step for mode   63=       -0.0000000046
 Unscaled step for mode   64=       -0.0000000074
 Unscaled step for mode   65=       -0.0000000032
 Unscaled step for mode   66=       -0.0000000053
 Unscaled step for mode   67=       -0.0000000124
 Unscaled step for mode   68=       -0.0000000052
 Unscaled step for mode   69=        0.0000000008
 Unscaled step for mode   70=        0.0000000107
 Unscaled step for mode   71=        0.0000000019
 Unscaled step for mode   72=        0.0000000112
 Unscaled step for mode   73=        0.0000000027
 Unscaled step for mode   74=        0.0000000283
 Unscaled step for mode   75=       -0.0000000042
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000540
 Unscaled step for mode   78=       -0.0000000034
 Unscaled step for mode   79=        0.0000000093
 Unscaled step for mode   80=        0.0000000071
 Unscaled step for mode   81=        0.0000000023
 Unscaled step for mode   82=       -0.0000000010
 Unscaled step for mode   83=       -0.0000000262
 Unscaled step for mode   84=       -0.0000000177
 Unscaled step for mode   85=       -0.0000000635
 Unscaled step for mode   86=        0.0000000315
 Unscaled step for mode   87=       -0.0000000033
 Unscaled step for mode   88=       -0.0000001061
 Unscaled step for mode   89=       -0.0000000608
 Unscaled step for mode   90=       -0.0000000899
 Unscaled step for mode   91=        0.0000000183
 Unscaled step for mode   92=        0.0000000179
 Unscaled step for mode   93=       -0.0000000358
 Unscaled step for mode   94=       -0.0000000121
 Unscaled step for mode   95=       -0.0000000869
 Unscaled step for mode   96=        0.0000000409
 Unscaled step for mode   97=        0.0000000193
 Unscaled step for mode   98=       -0.0000000735
 Unscaled step for mode   99=       -0.0000000946
 Unscaled step for mode  100=        0.0000000064
 Unscaled step for mode  101=       -0.0000001721
 Unscaled step for mode  102=       -0.0000002793
 Unscaled step for mode  103=        0.0000000746
 Unscaled step for mode  104=        0.0000004383
 Unscaled step for mode  105=        0.0000000311
 Unscaled step for mode  106=        0.0000002195
 Unscaled step for mode  107=       -0.0000006683
 Unscaled step for mode  108=        0.0000006758
 Unscaled step for mode  109=       -0.0000008283
 Unscaled step for mode  110=        0.0003548185
 Unscaled step for mode  111=        0.0000003838
 Unscaled step for mode  112=        0.0038770744
 Unscaled step for mode  113=        0.0157378572
 Unscaled step for mode  114=       -0.2660147806
 Largest modulus ratio of non-zero e/values=           234.1293530    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.774554E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.127535E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.195156E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.594225E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.651687E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.308455E-14    0.974279E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.593220E-06    0.746458E+03  0.794712E-09 0.100000E-04    0.909138E+00
   8   -0.194940E-06    0.674142E+03  0.289167E-09 0.100000E-04    0.956084E+00
   9    0.283542E-07    0.630540E+03 -0.449681E-10 0.100000E-04    0.183757E+01
  10    0.308261E-06    0.600848E+03 -0.513043E-09 0.100000E-04    0.912652E+00
  11   -0.238187E-06    0.586412E+03  0.406177E-09 0.100000E-04    0.868975E+00
  12   -0.686047E-06    0.578883E+03  0.118512E-08 0.100000E-04    0.978590E+00
  13   -0.929929E-07    0.565122E+03  0.164554E-09 0.100000E-04    0.699708E+00
  14    0.121233E-05    0.487448E+03 -0.248709E-08 0.100000E-04    0.920569E+00
  15    0.176812E-06    0.460692E+03 -0.383796E-09 0.100000E-04    0.654759E+00
  16    0.519409E-07    0.459815E+03 -0.112960E-09 0.100000E-04    0.612614E+00
  17   -0.251550E-06    0.441692E+03  0.569514E-09 0.100000E-04    0.975447E+00
  18    0.202330E-08    0.429294E+03 -0.471309E-11 0.109000E-04    0.687143E-01
  19   -0.371836E-07    0.421955E+03  0.881223E-10 0.109000E-04    0.348609E-01
  20   -0.663011E-06    0.408045E+03  0.162485E-08 0.100000E-04    0.954823E+00
  21    0.207937E-06    0.396374E+03 -0.524597E-09 0.100000E-04    0.768588E+00
  22   -0.216694E-06    0.387561E+03  0.559122E-09 0.100000E-04    0.966244E+00
  23    0.395979E-06    0.369992E+03 -0.107024E-08 0.100000E-04    0.988376E+00
  24    0.240745E-06    0.360553E+03 -0.667710E-09 0.100000E-04    0.823690E+00
  25   -0.466486E-06    0.349387E+03  0.133516E-08 0.100000E-04    0.831715E+00
  26   -0.550924E-06    0.335280E+03  0.164318E-08 0.100000E-04    0.840878E+00
  27    0.683228E-06    0.329247E+03 -0.207513E-08 0.100000E-04    0.980333E+00
  28    0.429565E-06    0.321850E+03 -0.133467E-08 0.100000E-04    0.830331E+00
  29    0.124488E-05    0.319088E+03 -0.390138E-08 0.100000E-04    0.881277E+00
  30   -0.102962E-05    0.309484E+03  0.332689E-08 0.100000E-04    0.951931E+00
  31   -0.448896E-06    0.300856E+03  0.149206E-08 0.100000E-04    0.930344E+00
  32   -0.178527E-05    0.290580E+03  0.614383E-08 0.100000E-04    0.943950E+00
  33    0.941051E-06    0.278904E+03 -0.337411E-08 0.100000E-04    0.906797E+00
  34   -0.923828E-06    0.272706E+03  0.338764E-08 0.100000E-04    0.898187E+00
  35   -0.148424E-06    0.268518E+03  0.552752E-09 0.100000E-04    0.680532E+00
  36    0.274230E-05    0.264935E+03 -0.103509E-07 0.100000E-04    0.923607E+00
  37    0.162233E-07    0.263780E+03 -0.615031E-10 0.100000E-04    0.808436E+00
  38    0.764748E-06    0.253243E+03 -0.301982E-08 0.100000E-04    0.911288E+00
  39   -0.100766E-05    0.241548E+03  0.417166E-08 0.100000E-04    0.881059E+00
  40   -0.198730E-05    0.240758E+03  0.825433E-08 0.100000E-04    0.934614E+00
  41   -0.121083E-05    0.233964E+03  0.517528E-08 0.100000E-04    0.910889E+00
  42   -0.937223E-06    0.227511E+03  0.411946E-08 0.100000E-04    0.976519E+00
  43    0.323885E-06    0.217093E+03 -0.149192E-08 0.100000E-04    0.970247E+00
  44   -0.159716E-05    0.214885E+03  0.743262E-08 0.100000E-04    0.940746E+00
  45    0.348174E-06    0.213265E+03 -0.163259E-08 0.100000E-04    0.955415E+00
  46    0.189533E-05    0.207645E+03 -0.912775E-08 0.100000E-04    0.916710E+00
  47   -0.149928E-05    0.203018E+03  0.738498E-08 0.100000E-04    0.919564E+00
  48    0.174263E-05    0.195486E+03 -0.891437E-08 0.100000E-04    0.870617E+00
  49    0.121212E-05    0.194828E+03 -0.622146E-08 0.100000E-04    0.905724E+00
  50    0.942671E-06    0.191344E+03 -0.492658E-08 0.100000E-04    0.958572E+00
  51    0.188437E-07    0.182928E+03 -0.103012E-09 0.100000E-04    0.346396E+00
  52    0.108782E-06    0.174313E+03 -0.624059E-09 0.109000E-04    0.106489E+00
  53   -0.136725E-05    0.172319E+03  0.793440E-08 0.100000E-04    0.895963E+00
  54   -0.699706E-06    0.168206E+03  0.415982E-08 0.100000E-04    0.841425E+00
  55    0.170781E-05    0.163247E+03 -0.104615E-07 0.100000E-04    0.923077E+00
  56    0.139861E-05    0.156887E+03 -0.891480E-08 0.100000E-04    0.974200E+00
  57    0.153345E-06    0.154891E+03 -0.990024E-09 0.100000E-04    0.825281E+00
  58   -0.160112E-05    0.152265E+03  0.105154E-07 0.100000E-04    0.918433E+00
  59   -0.254688E-06    0.146699E+03  0.173612E-08 0.100000E-04    0.724941E+00
  60   -0.818875E-06    0.143371E+03  0.571157E-08 0.100000E-04    0.837651E+00
  61    0.494655E-06    0.138063E+03 -0.358281E-08 0.100000E-04    0.692320E+00
  62    0.272302E-06    0.135872E+03 -0.200410E-08 0.100000E-04    0.777898E+00
  63    0.603197E-06    0.130307E+03 -0.462904E-08 0.100000E-04    0.951586E+00
  64    0.952761E-06    0.128826E+03 -0.739573E-08 0.100000E-04    0.854235E+00
  65    0.403610E-06    0.126883E+03 -0.318097E-08 0.100000E-04    0.892362E+00
  66    0.660399E-06    0.124136E+03 -0.531997E-08 0.100000E-04    0.943300E+00
  67    0.148424E-05    0.120000E+03 -0.123687E-07 0.100000E-04    0.963372E+00
  68    0.610904E-06    0.118164E+03 -0.516997E-08 0.100000E-04    0.843080E+00
  69   -0.877331E-07    0.116865E+03  0.750719E-09 0.100000E-04    0.748757E+00
  70   -0.117735E-05    0.110352E+03  0.106691E-07 0.100000E-04    0.912160E+00
  71   -0.201585E-06    0.106846E+03  0.188670E-08 0.100000E-04    0.907349E+00
  72   -0.117208E-05    0.104431E+03  0.112234E-07 0.100000E-04    0.881800E+00
  73   -0.275072E-06    0.102846E+03  0.267460E-08 0.100000E-04    0.760989E+00
  74   -0.281642E-05    0.995247E+02  0.282988E-07 0.100000E-04    0.907303E+00
  75    0.400532E-06    0.960974E+02 -0.416798E-08 0.100000E-04    0.690298E+00
  76    0.189960E-06    0.941157E+02 -0.201837E-08 0.100000E-04    0.837271E+00
  77    0.496410E-05    0.919963E+02 -0.539598E-07 0.100000E-04    0.915034E+00
  78    0.313385E-06    0.912140E+02 -0.343572E-08 0.118810E-04    0.164020E+00
  79   -0.818441E-06    0.884463E+02  0.925354E-08 0.100000E-04    0.862084E+00
  80   -0.607713E-06    0.855909E+02  0.710020E-08 0.100000E-04    0.940165E+00
  81   -0.184096E-06    0.808280E+02  0.227763E-08 0.100000E-04    0.934831E+00
  82    0.832227E-07    0.804690E+02 -0.103422E-08 0.100000E-04    0.793861E+00
  83    0.204462E-05    0.779622E+02 -0.262258E-07 0.100000E-04    0.953552E+00
  84    0.129837E-05    0.732972E+02 -0.177138E-07 0.100000E-04    0.852083E+00
  85    0.460860E-05    0.725873E+02 -0.634904E-07 0.100000E-04    0.931261E+00
  86   -0.214259E-05    0.679295E+02  0.315414E-07 0.100000E-04    0.879354E+00
  87    0.212090E-06    0.647769E+02 -0.327417E-08 0.100000E-04    0.740342E+00
  88    0.650977E-05    0.613790E+02 -0.106058E-06 0.100000E-04    0.930212E+00
  89    0.364093E-05    0.598485E+02 -0.608357E-07 0.100000E-04    0.937257E+00
  90    0.533941E-05    0.593936E+02 -0.898987E-07 0.100000E-04    0.897568E+00
  91   -0.106662E-05    0.581420E+02  0.183450E-07 0.100000E-04    0.586191E+00
  92   -0.998064E-06    0.558761E+02  0.178621E-07 0.100000E-04    0.849173E+00
  93    0.187596E-05    0.524548E+02 -0.357634E-07 0.100000E-04    0.977978E+00
  94    0.631066E-06    0.520466E+02 -0.121250E-07 0.100000E-04    0.858233E+00
  95    0.436117E-05    0.502043E+02 -0.868684E-07 0.100000E-04    0.924728E+00
  96   -0.189059E-05    0.461939E+02  0.409273E-07 0.100000E-04    0.965507E+00
  97   -0.834086E-06    0.433201E+02  0.192540E-07 0.100000E-04    0.636854E+00
  98    0.300601E-05    0.409055E+02 -0.734866E-07 0.100000E-04    0.869136E+00
  99    0.358356E-05    0.378707E+02 -0.946262E-07 0.100000E-04    0.970373E+00
 100   -0.230712E-06    0.362244E+02  0.636897E-08 0.100000E-04    0.578205E+00
 101    0.555874E-05    0.322965E+02 -0.172116E-06 0.100000E-04    0.999758E+00
 102    0.806627E-05    0.288818E+02 -0.279285E-06 0.100000E-04    0.891175E+00
 103   -0.212230E-05    0.284503E+02  0.745970E-07 0.100000E-04    0.856334E+00
 104   -0.115227E-04    0.262890E+02  0.438310E-06 0.100000E-04    0.919274E+00
 105   -0.724682E-06    0.233292E+02  0.310633E-07 0.100000E-04    0.675918E+00
 106   -0.467890E-05    0.213150E+02  0.219512E-06 0.100000E-04    0.968094E+00
 107    0.132712E-04    0.198590E+02 -0.668274E-06 0.100000E-04    0.957237E+00
 108   -0.111284E-04    0.164681E+02  0.675750E-06 0.100000E-04    0.993735E+00
 109    0.115156E-04    0.139032E+02 -0.828269E-06 0.100000E-04    0.935663E+00
 110   -0.434305E-02    0.122402E+02  0.471712E-04 0.471712E-04    0.686544E-02
 111   -0.387349E-05    0.100922E+02  0.383809E-06 0.100000E-04    0.848737E+00
 112   -0.347965E-01    0.897480E+01  0.100000E-04 0.100000E-04    0.510533E+00
 113   -0.903794E-01    0.574138E+01  0.100000E-04 0.100000E-04    0.601632E+00
 114   -0.912703E+00    0.318823E+01 -0.118810E-04 0.118810E-04    0.149165E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.4717120417E-04    0.2660147806    

 Beginning of optimization cycle  548.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2999091087
 potential> RMS force:                                               0.0859657291   |gradient|=.9178628171    
 Eigenvalues of the Hessian matrix:
   746.45869    674.13989    630.53890    600.84765    586.40999    578.88098 
   565.12091    487.45066    460.69089    459.81347    441.69285    429.29727 
   421.95274    408.04290    396.37335    387.55905    369.99381    360.55366 
   349.38657    335.27768    329.24802    321.84877    319.08922    309.47981 
   300.85534    290.58183    278.90550    272.70636    268.51915    264.93492 
   263.78256    253.24367    241.55013    240.75695    233.96492    227.51010 
   217.09365    214.88469    213.26676    207.64558    203.01839    195.48447 
   194.82727    191.34322    182.92698    174.31397    172.32027    168.20518 
   163.24619    156.88686    154.88992    152.26467    146.69920    143.37088 
   138.06340    135.87249    130.30687    128.82612    126.88346    124.13549 
   120.00013    118.16337    116.86476    110.35177    106.84432    104.43247 
   102.84700     99.52357     96.09771     94.11561     91.99581     91.21475 
    88.44636     85.59117     80.82841     80.46860     77.96300     73.29694 
    72.58705     67.92994     64.77705     61.37862     59.84861     59.39374 
    58.14169     55.87738     52.45432     52.04696     50.20517     46.19216 
    43.31894     40.90613     37.87060     36.22446     32.29559     28.88222 
    28.45020     26.28859     23.33031     21.31493     19.85911     16.46726 
    13.90348     12.24050     10.09247      8.97619      5.74100      3.18779 
overlap for current and previous eigenvector    109 is         0.9999999610
overlap for current and previous eigenvector    110 is         0.9999998531
overlap for current and previous eigenvector    111 is         0.9999998765
overlap for current and previous eigenvector    112 is         0.9999999699
overlap for current and previous eigenvector    113 is         0.9999999802
overlap for current and previous eigenvector    114 is         0.9999999978
J1,K1,R1,R2,RAT=   7   7   -0.8936307443E-01     2.089361881        0.9106369256    
FOB,PFOB,DIAG,PSTEP=   -0.6462315609E-06   -0.5932196018E-06     746.4586919        0.7947123696E-09
J1,K1,R1,R2,RAT=   8   8   -0.4631698879E-01     2.046324664        0.9536830112    
FOB,PFOB,DIAG,PSTEP=   -0.2039686611E-06   -0.1949396769E-06     674.1398937        0.2891668785E-09
J1,K1,R1,R2,RAT=   9   9    -1.372484245         3.372489327        0.3724842452    
FOB,PFOB,DIAG,PSTEP=    0.6726980420E-07    0.2835420434E-07     630.5388958       -0.4496809393E-10
J1,K1,R1,R2,RAT=  10  10   -0.8770868554E-01     2.087708910        0.9122913145    
FOB,PFOB,DIAG,PSTEP=    0.3352980994E-06    0.3082609405E-06     600.8476511       -0.5130433735E-09
J1,K1,R1,R2,RAT=  11  11   -0.1254870453         2.125492790        0.8745129547    
FOB,PFOB,DIAG,PSTEP=   -0.2680764609E-06   -0.2381871456E-06     586.4099916        0.4061773587E-09
J1,K1,R1,R2,RAT= 109 109   -0.6531312950E-01     2.065266687        0.9346868705    
FOB,PFOB,DIAG,PSTEP=    0.1226768426E-04    0.1151555018E-04     13.90347504       -0.8282690162E-06
J1,K1,R1,R2,RAT= 110 110    0.9922661685         14.05123989        0.7733831489E-02
FOB,PFOB,DIAG,PSTEP=   -0.3770119418E-02   -0.4343052947E-02     12.24049812        0.4717120417E-04
J1,K1,R1,R2,RAT= 111 111   -0.1672691295         2.167224612        0.8327308705    
FOB,PFOB,DIAG,PSTEP=   -0.4521423056E-05   -0.3873492856E-05     10.09246805        0.3838089015E-06
J1,K1,R1,R2,RAT= 112 112    0.4769648671         774.8302033        0.5230351329    
FOB,PFOB,DIAG,PSTEP=   -0.3475369372E-01   -0.3479650697E-01     8.976186059        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    0.5071742589         3148.050703        0.4928257411    
FOB,PFOB,DIAG,PSTEP=   -0.9035030985E-01   -0.9037942674E-01     5.741004629        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.8783879195        -48197.45479        0.1216120805    
FOB,PFOB,DIAG,PSTEP=   -0.9127359631       -0.9127026949         3.187793223       -0.1188100000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00001      0.00001 
    -0.00000     -0.00001     -0.00000     -0.00000      0.00001     -0.00001 
     0.00001     -0.00377     -0.00000     -0.03475     -0.09035     -0.91274 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3839199900
 Log product of positive Hessian eigenvalues =          519.0684424188
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1877932229
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000001
 Unscaled step for mode   10=       -0.0000000006
 Unscaled step for mode   11=        0.0000000005
 Unscaled step for mode   12=        0.0000000012
 Unscaled step for mode   13=        0.0000000002
 Unscaled step for mode   14=       -0.0000000027
 Unscaled step for mode   15=       -0.0000000005
 Unscaled step for mode   16=       -0.0000000001
 Unscaled step for mode   17=        0.0000000006
 Unscaled step for mode   18=       -0.0000000001
 Unscaled step for mode   19=        0.0000000001
 Unscaled step for mode   20=        0.0000000017
 Unscaled step for mode   21=       -0.0000000006
 Unscaled step for mode   22=        0.0000000005
 Unscaled step for mode   23=       -0.0000000011
 Unscaled step for mode   24=       -0.0000000008
 Unscaled step for mode   25=        0.0000000015
 Unscaled step for mode   26=        0.0000000019
 Unscaled step for mode   27=       -0.0000000021
 Unscaled step for mode   28=       -0.0000000015
 Unscaled step for mode   29=       -0.0000000043
 Unscaled step for mode   30=        0.0000000035
 Unscaled step for mode   31=        0.0000000016
 Unscaled step for mode   32=        0.0000000065
 Unscaled step for mode   33=       -0.0000000037
 Unscaled step for mode   34=        0.0000000037
 Unscaled step for mode   35=        0.0000000007
 Unscaled step for mode   36=       -0.0000000112
 Unscaled step for mode   37=       -0.0000000002
 Unscaled step for mode   38=       -0.0000000033
 Unscaled step for mode   39=        0.0000000047
 Unscaled step for mode   40=        0.0000000088
 Unscaled step for mode   41=        0.0000000056
 Unscaled step for mode   42=        0.0000000042
 Unscaled step for mode   43=       -0.0000000015
 Unscaled step for mode   44=        0.0000000079
 Unscaled step for mode   45=       -0.0000000017
 Unscaled step for mode   46=       -0.0000000099
 Unscaled step for mode   47=        0.0000000080
 Unscaled step for mode   48=       -0.0000000100
 Unscaled step for mode   49=       -0.0000000068
 Unscaled step for mode   50=       -0.0000000052
 Unscaled step for mode   51=        0.0000000001
 Unscaled step for mode   52=       -0.0000000009
 Unscaled step for mode   53=        0.0000000087
 Unscaled step for mode   54=        0.0000000048
 Unscaled step for mode   55=       -0.0000000113
 Unscaled step for mode   56=       -0.0000000092
 Unscaled step for mode   57=       -0.0000000008
 Unscaled step for mode   58=        0.0000000114
 Unscaled step for mode   59=        0.0000000021
 Unscaled step for mode   60=        0.0000000066
 Unscaled step for mode   61=       -0.0000000045
 Unscaled step for mode   62=       -0.0000000024
 Unscaled step for mode   63=       -0.0000000044
 Unscaled step for mode   64=       -0.0000000084
 Unscaled step for mode   65=       -0.0000000028
 Unscaled step for mode   66=       -0.0000000056
 Unscaled step for mode   67=       -0.0000000129
 Unscaled step for mode   68=       -0.0000000059
 Unscaled step for mode   69=        0.0000000009
 Unscaled step for mode   70=        0.0000000116
 Unscaled step for mode   71=        0.0000000017
 Unscaled step for mode   72=        0.0000000125
 Unscaled step for mode   73=        0.0000000033
 Unscaled step for mode   74=        0.0000000310
 Unscaled step for mode   75=       -0.0000000052
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=        0.0000000587
 Unscaled step for mode   78=       -0.0000000051
 Unscaled step for mode   79=        0.0000000105
 Unscaled step for mode   80=        0.0000000076
 Unscaled step for mode   81=        0.0000000022
 Unscaled step for mode   82=       -0.0000000008
 Unscaled step for mode   83=       -0.0000000275
 Unscaled step for mode   84=       -0.0000000202
 Unscaled step for mode   85=       -0.0000000680
 Unscaled step for mode   86=        0.0000000353
 Unscaled step for mode   87=       -0.0000000021
 Unscaled step for mode   88=       -0.0000001138
 Unscaled step for mode   89=       -0.0000000649
 Unscaled step for mode   90=       -0.0000000990
 Unscaled step for mode   91=        0.0000000239
 Unscaled step for mode   92=        0.0000000202
 Unscaled step for mode   93=       -0.0000000367
 Unscaled step for mode   94=       -0.0000000137
 Unscaled step for mode   95=       -0.0000000936
 Unscaled step for mode   96=        0.0000000427
 Unscaled step for mode   97=        0.0000000246
 Unscaled step for mode   98=       -0.0000000828
 Unscaled step for mode   99=       -0.0000000977
 Unscaled step for mode  100=        0.0000000013
 Unscaled step for mode  101=       -0.0000001735
 Unscaled step for mode  102=       -0.0000003088
 Unscaled step for mode  103=        0.0000000850
 Unscaled step for mode  104=        0.0000004731
 Unscaled step for mode  105=        0.0000000154
 Unscaled step for mode  106=        0.0000002121
 Unscaled step for mode  107=       -0.0000007027
 Unscaled step for mode  108=        0.0000006748
 Unscaled step for mode  109=       -0.0000008823
 Unscaled step for mode  110=        0.0003080037
 Unscaled step for mode  111=        0.0000004480
 Unscaled step for mode  112=        0.0038717082
 Unscaled step for mode  113=        0.0157338217
 Unscaled step for mode  114=       -0.2660548318
 Largest modulus ratio of non-zero e/values=           234.1615782    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.183881E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.162115E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.163448E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.984022E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.514698E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.342108E-14    0.974280E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.646232E-06    0.746459E+03  0.865730E-09 0.100000E-04    0.910637E+00
   8   -0.203969E-06    0.674140E+03  0.302561E-09 0.100000E-04    0.953683E+00
   9    0.672698E-07    0.630539E+03 -0.106686E-09 0.100000E-04    0.372484E+00
  10    0.335298E-06    0.600848E+03 -0.558042E-09 0.100000E-04    0.912291E+00
  11   -0.268076E-06    0.586410E+03  0.457149E-09 0.100000E-04    0.874513E+00
  12   -0.701040E-06    0.578881E+03  0.121103E-08 0.100000E-04    0.978145E+00
  13   -0.116541E-06    0.565121E+03  0.206223E-09 0.100000E-04    0.746777E+00
  14    0.131029E-05    0.487451E+03 -0.268804E-08 0.100000E-04    0.919199E+00
  15    0.225021E-06    0.460691E+03 -0.488443E-09 0.100000E-04    0.727341E+00
  16    0.669458E-07    0.459813E+03 -0.145593E-09 0.100000E-04    0.711114E+00
  17   -0.245322E-06    0.441693E+03  0.555413E-09 0.100000E-04    0.975240E+00
  18    0.360731E-07    0.429297E+03 -0.840281E-10 0.100000E-04    0.158287E+02
  19   -0.570570E-07    0.421953E+03  0.135221E-09 0.100000E-04    0.465531E+00
  20   -0.694126E-06    0.408043E+03  0.170111E-08 0.100000E-04    0.953069E+00
  21    0.250615E-06    0.396373E+03 -0.632270E-09 0.100000E-04    0.794753E+00
  22   -0.210484E-06    0.387559E+03  0.543102E-09 0.100000E-04    0.971342E+00
  23    0.389959E-06    0.369994E+03 -0.105396E-08 0.100000E-04    0.984788E+00
  24    0.281013E-06    0.360554E+03 -0.779392E-09 0.100000E-04    0.832737E+00
  25   -0.540146E-06    0.349387E+03  0.154599E-08 0.100000E-04    0.842095E+00
  26   -0.630415E-06    0.335278E+03  0.188028E-08 0.100000E-04    0.855712E+00
  27    0.698540E-06    0.329248E+03 -0.212162E-08 0.100000E-04    0.977589E+00
  28    0.496925E-06    0.321849E+03 -0.154397E-08 0.100000E-04    0.843189E+00
  29    0.138763E-05    0.319089E+03 -0.434873E-08 0.100000E-04    0.885333E+00
  30   -0.108668E-05    0.309480E+03  0.351132E-08 0.100000E-04    0.944575E+00
  31   -0.483087E-06    0.300855E+03  0.160571E-08 0.100000E-04    0.923832E+00
  32   -0.189164E-05    0.290582E+03  0.650983E-08 0.100000E-04    0.940422E+00
  33    0.102710E-05    0.278905E+03 -0.368260E-08 0.100000E-04    0.908564E+00
  34   -0.101416E-05    0.272706E+03  0.371886E-08 0.100000E-04    0.902224E+00
  35   -0.187371E-06    0.268519E+03  0.697795E-09 0.100000E-04    0.737595E+00
  36    0.295816E-05    0.264935E+03 -0.111656E-07 0.100000E-04    0.921284E+00
  37    0.537894E-07    0.263783E+03 -0.203916E-09 0.100000E-04    0.131555E+01
  38    0.833305E-06    0.253244E+03 -0.329053E-08 0.100000E-04    0.910354E+00
  39   -0.112442E-05    0.241550E+03  0.465501E-08 0.100000E-04    0.884129E+00
  40   -0.212130E-05    0.240757E+03  0.881097E-08 0.100000E-04    0.932569E+00
  41   -0.131830E-05    0.233965E+03  0.563462E-08 0.100000E-04    0.911240E+00
  42   -0.965712E-06    0.227510E+03  0.424470E-08 0.100000E-04    0.969602E+00
  43    0.332530E-06    0.217094E+03 -0.153173E-08 0.100000E-04    0.973309E+00
  44   -0.169557E-05    0.214885E+03  0.789061E-08 0.100000E-04    0.938381E+00
  45    0.365845E-06    0.213267E+03 -0.171543E-08 0.100000E-04    0.949248E+00
  46    0.205231E-05    0.207646E+03 -0.988372E-08 0.100000E-04    0.917177E+00
  47   -0.162022E-05    0.203018E+03  0.798067E-08 0.100000E-04    0.919336E+00
  48    0.195873E-05    0.195484E+03 -0.100199E-07 0.100000E-04    0.875993E+00
  49    0.132526E-05    0.194827E+03 -0.680222E-08 0.100000E-04    0.906656E+00
  50    0.988437E-06    0.191343E+03 -0.516578E-08 0.100000E-04    0.951450E+00
  51   -0.216093E-07    0.182927E+03  0.118131E-09 0.100000E-04    0.853233E+00
  52    0.163854E-06    0.174314E+03 -0.939994E-09 0.100000E-04    0.493738E+00
  53   -0.150688E-05    0.172320E+03  0.874465E-08 0.100000E-04    0.897876E+00
  54   -0.801416E-06    0.168205E+03  0.476451E-08 0.100000E-04    0.854639E+00
  55    0.184468E-05    0.163246E+03 -0.113000E-07 0.100000E-04    0.919852E+00
  56    0.143825E-05    0.156887E+03 -0.916743E-08 0.100000E-04    0.971662E+00
  57    0.117577E-06    0.154890E+03 -0.759103E-09 0.100000E-04    0.766747E+00
  58   -0.173443E-05    0.152265E+03  0.113909E-07 0.100000E-04    0.916736E+00
  59   -0.314459E-06    0.146699E+03  0.214356E-08 0.100000E-04    0.765315E+00
  60   -0.942971E-06    0.143371E+03  0.657715E-08 0.100000E-04    0.848454E+00
  61    0.617133E-06    0.138063E+03 -0.446993E-08 0.100000E-04    0.752396E+00
  62    0.327314E-06    0.135872E+03 -0.240898E-08 0.100000E-04    0.797975E+00
  63    0.577735E-06    0.130307E+03 -0.443365E-08 0.100000E-04    0.957789E+00
  64    0.108151E-05    0.128826E+03 -0.839515E-08 0.100000E-04    0.864862E+00
  65    0.352851E-06    0.126883E+03 -0.278090E-08 0.100000E-04    0.874228E+00
  66    0.700446E-06    0.124135E+03 -0.564259E-08 0.100000E-04    0.939358E+00
  67    0.154729E-05    0.120000E+03 -0.128940E-07 0.100000E-04    0.957520E+00
  68    0.701435E-06    0.118163E+03 -0.593614E-08 0.100000E-04    0.851807E+00
  69   -0.110306E-06    0.116865E+03  0.943879E-09 0.100000E-04    0.742705E+00
  70   -0.128106E-05    0.110352E+03  0.116089E-07 0.100000E-04    0.911915E+00
  71   -0.176826E-06    0.106844E+03  0.165499E-08 0.100000E-04    0.877175E+00
  72   -0.130476E-05    0.104432E+03  0.124938E-07 0.100000E-04    0.886797E+00
  73   -0.335172E-06    0.102847E+03  0.325894E-08 0.100000E-04    0.781514E+00
  74   -0.308187E-05    0.995236E+02  0.309662E-07 0.100000E-04    0.905750E+00
  75    0.499590E-06    0.960977E+02 -0.519877E-08 0.100000E-04    0.752684E+00
  76    0.221269E-06    0.941156E+02 -0.235103E-08 0.100000E-04    0.835184E+00
  77   -0.540057E-05    0.919958E+02  0.587045E-07 0.100000E-04    0.912075E+00
  78    0.468962E-06    0.912147E+02 -0.514130E-08 0.107036E-04    0.503565E+00
  79   -0.928348E-06    0.884464E+02  0.104962E-07 0.100000E-04    0.865712E+00
  80   -0.647847E-06    0.855912E+02  0.756909E-08 0.100000E-04    0.933958E+00
  81   -0.173902E-06    0.808284E+02  0.215149E-08 0.100000E-04    0.944615E+00
  82    0.625434E-07    0.804686E+02 -0.777240E-09 0.100000E-04    0.751518E+00
  83    0.214526E-05    0.779630E+02 -0.275164E-07 0.100000E-04    0.950775E+00
  84    0.147956E-05    0.732969E+02 -0.201858E-07 0.100000E-04    0.860449E+00
  85    0.493709E-05    0.725870E+02 -0.680162E-07 0.100000E-04    0.928721E+00
  86   -0.239792E-05    0.679299E+02  0.352999E-07 0.100000E-04    0.880832E+00
  87    0.137014E-06    0.647771E+02 -0.211517E-08 0.100000E-04    0.646015E+00
  88    0.698333E-05    0.613786E+02 -0.113775E-06 0.100000E-04    0.927254E+00
  89    0.388250E-05    0.598486E+02 -0.648721E-07 0.100000E-04    0.933651E+00
  90    0.587956E-05    0.593937E+02 -0.989929E-07 0.100000E-04    0.898838E+00
  91   -0.138911E-05    0.581417E+02  0.238918E-07 0.100000E-04    0.697648E+00
  92   -0.112983E-05    0.558774E+02  0.202199E-07 0.100000E-04    0.867977E+00
  93    0.192704E-05    0.524543E+02 -0.367375E-07 0.100000E-04    0.972772E+00
  94    0.714885E-06    0.520470E+02 -0.137354E-07 0.100000E-04    0.867178E+00
  95    0.469844E-05    0.502052E+02 -0.935848E-07 0.100000E-04    0.922667E+00
  96   -0.197356E-05    0.461922E+02  0.427250E-07 0.100000E-04    0.956112E+00
  97   -0.106469E-05    0.433189E+02  0.245780E-07 0.100000E-04    0.723512E+00
  98    0.338895E-05    0.409061E+02 -0.828470E-07 0.100000E-04    0.872610E+00
  99    0.370008E-05    0.378706E+02 -0.977031E-07 0.100000E-04    0.967486E+00
 100   -0.465713E-07    0.362245E+02  0.128563E-08 0.100000E-04    0.201856E+00
 101    0.560365E-05    0.322956E+02 -0.173511E-06 0.100000E-04    0.991921E+00
 102    0.891848E-05    0.288822E+02 -0.308788E-06 0.100000E-04    0.894351E+00
 103   -0.241883E-05    0.284502E+02  0.850198E-07 0.100000E-04    0.860280E+00
 104   -0.124379E-04    0.262886E+02  0.473129E-06 0.100000E-04    0.920575E+00
 105   -0.359305E-06    0.233303E+02  0.154008E-07 0.100000E-04    0.495739E+00
 106   -0.452106E-05    0.213149E+02  0.212107E-06 0.100000E-04    0.966264E+00
 107    0.139555E-04    0.198591E+02 -0.702724E-06 0.100000E-04    0.948442E+00
 108   -0.111114E-04    0.164673E+02  0.674755E-06 0.100000E-04    0.998473E+00
 109    0.122677E-04    0.139035E+02 -0.882347E-06 0.100000E-04    0.934687E+00
 110   -0.377012E-02    0.122405E+02  0.514166E-04 0.514166E-04    0.773383E-02
 111   -0.452142E-05    0.100925E+02  0.448000E-06 0.100000E-04    0.832731E+00
 112   -0.347537E-01    0.897619E+01  0.100000E-04 0.100000E-04    0.523035E+00
 113   -0.903503E-01    0.574100E+01  0.100000E-04 0.100000E-04    0.492826E+00
 114   -0.912736E+00    0.318779E+01 -0.129503E-04 0.129503E-04    0.121612E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.5141661255E-04    0.2660548318    

 Beginning of optimization cycle  549.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2998987163
 potential> RMS force:                                               0.0859685045   |gradient|=.9178924498    
 Eigenvalues of the Hessian matrix:
   746.45908    674.13711    630.53699    600.84773    586.40816    578.87932 
   565.12044    487.45354    460.68921    459.81175    441.69346    429.30048 
   421.95012    408.04087    396.37227    387.55667    369.99540    360.55471 
   349.38630    335.27542    329.24924    321.84759    319.09011    309.47572 
   300.85465    290.58423    278.90756    272.70706    268.52015    264.93508 
   263.78550    253.24459    241.55195    240.75572    233.96606    227.50912 
   217.09443    214.88464    213.26826    207.64627    203.01888    195.48329 
   194.82652    191.34233    182.92621    174.31478    172.32109    168.20449 
   163.24521    156.88691    154.88900    152.26458    146.69909    143.37043 
   138.06367    135.87262    130.30655    128.82649    126.88411    124.13510 
   120.00045    118.16286    116.86399    110.35156    106.84288    104.43385 
   102.84782     99.52234     96.09809     94.11547     91.99524     91.21555 
    88.44644     85.59144     80.82881     80.46815     77.96387     73.29664 
    72.58680     67.93038     64.77728     61.37818     59.84868     59.39392 
    58.14136     55.87878     52.45382     52.04736     50.20605     46.19031 
    43.31763     40.90679     37.87049     36.22455     32.29459     28.88262 
    28.45014     26.28815     23.33154     21.31484     19.85928     16.46629 
    13.90382     12.24081     10.09272      8.97760      5.74056      3.18733 
overlap for current and previous eigenvector    109 is         0.9999999547
overlap for current and previous eigenvector    110 is         0.9999998246
overlap for current and previous eigenvector    111 is         0.9999998537
overlap for current and previous eigenvector    112 is         0.9999999689
overlap for current and previous eigenvector    113 is         0.9999999805
overlap for current and previous eigenvector    114 is         0.9999999979
J1,K1,R1,R2,RAT=   7   7   -0.8928235827E-01     2.089281331        0.9107176417    
FOB,PFOB,DIAG,PSTEP=   -0.7039286683E-06   -0.6462315609E-06     746.4590751        0.8657298360E-09
J1,K1,R1,R2,RAT=   8   8   -0.4900531972E-01     2.049013588        0.9509946803    
FOB,PFOB,DIAG,PSTEP=   -0.2139641692E-06   -0.2039686611E-06     674.1371066        0.3025613274E-09
J1,K1,R1,R2,RAT=   9   9   -0.6341532154         2.634159274        0.3658467846    
FOB,PFOB,DIAG,PSTEP=    0.1099290376E-06    0.6726980420E-07     630.5369858       -0.1066862086E-09
J1,K1,R1,R2,RAT=  10  10   -0.8861673198E-01     2.088616479        0.9113832680    
FOB,PFOB,DIAG,PSTEP=    0.3650111249E-06    0.3352980994E-06     600.8477271       -0.5580417911E-09
J1,K1,R1,R2,RAT=  11  11   -0.1221580975         2.122164334        0.8778419025    
FOB,PFOB,DIAG,PSTEP=   -0.3008240693E-06   -0.2680764609E-06     586.4081631        0.4571485220E-09
J1,K1,R1,R2,RAT= 109 109   -0.6828040934E-01     2.068230428        0.9317195907    
FOB,PFOB,DIAG,PSTEP=    0.1310534770E-04    0.1226768426E-04     13.90382250       -0.8823466240E-06
J1,K1,R1,R2,RAT= 110 110    0.9914620602         10.98893995        0.8537939847E-02
FOB,PFOB,DIAG,PSTEP=   -0.3146111916E-02   -0.3770119418E-02     12.24081263        0.5141661255E-04
J1,K1,R1,R2,RAT= 111 111   -0.1675209588         2.167471027        0.8324790412    
FOB,PFOB,DIAG,PSTEP=   -0.5278875092E-05   -0.4521423056E-05     10.09272002        0.4479997393E-06
J1,K1,R1,R2,RAT= 112 112    0.4633071037         773.7682544        0.5366928963    
FOB,PFOB,DIAG,PSTEP=   -0.3471209987E-01   -0.3475369372E-01     8.977596741        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    0.6245181555         3147.160197        0.3754818445    
FOB,PFOB,DIAG,PSTEP=   -0.9031445898E-01   -0.9035030985E-01     5.740564747        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9035090731        -44226.04964        0.9649092686E-01
FOB,PFOB,DIAG,PSTEP=   -0.9127732571       -0.9127359631         3.187325284       -0.1295029000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00001     -0.00000      0.00000      0.00001      0.00000      0.00001 
    -0.00000     -0.00000      0.00000      0.00000      0.00001     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001      0.00001 
    -0.00000     -0.00001      0.00000     -0.00000      0.00001     -0.00001 
     0.00001     -0.00315     -0.00001     -0.03471     -0.09031     -0.91277 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3838560220
 Log product of positive Hessian eigenvalues =          519.0683914230
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1873252843
 Unscaled step for mode    7=        0.0000000009
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000006
 Unscaled step for mode   11=        0.0000000005
 Unscaled step for mode   12=        0.0000000012
 Unscaled step for mode   13=        0.0000000003
 Unscaled step for mode   14=       -0.0000000029
 Unscaled step for mode   15=       -0.0000000006
 Unscaled step for mode   16=       -0.0000000002
 Unscaled step for mode   17=        0.0000000005
 Unscaled step for mode   18=       -0.0000000002
 Unscaled step for mode   19=        0.0000000002
 Unscaled step for mode   20=        0.0000000018
 Unscaled step for mode   21=       -0.0000000007
 Unscaled step for mode   22=        0.0000000005
 Unscaled step for mode   23=       -0.0000000010
 Unscaled step for mode   24=       -0.0000000009
 Unscaled step for mode   25=        0.0000000018
 Unscaled step for mode   26=        0.0000000021
 Unscaled step for mode   27=       -0.0000000022
 Unscaled step for mode   28=       -0.0000000018
 Unscaled step for mode   29=       -0.0000000048
 Unscaled step for mode   30=        0.0000000037
 Unscaled step for mode   31=        0.0000000017
 Unscaled step for mode   32=        0.0000000069
 Unscaled step for mode   33=       -0.0000000040
 Unscaled step for mode   34=        0.0000000041
 Unscaled step for mode   35=        0.0000000009
 Unscaled step for mode   36=       -0.0000000121
 Unscaled step for mode   37=       -0.0000000004
 Unscaled step for mode   38=       -0.0000000036
 Unscaled step for mode   39=        0.0000000052
 Unscaled step for mode   40=        0.0000000094
 Unscaled step for mode   41=        0.0000000061
 Unscaled step for mode   42=        0.0000000044
 Unscaled step for mode   43=       -0.0000000016
 Unscaled step for mode   44=        0.0000000084
 Unscaled step for mode   45=       -0.0000000018
 Unscaled step for mode   46=       -0.0000000107
 Unscaled step for mode   47=        0.0000000086
 Unscaled step for mode   48=       -0.0000000112
 Unscaled step for mode   49=       -0.0000000074
 Unscaled step for mode   50=       -0.0000000054
 Unscaled step for mode   51=        0.0000000004
 Unscaled step for mode   52=       -0.0000000013
 Unscaled step for mode   53=        0.0000000096
 Unscaled step for mode   54=        0.0000000054
 Unscaled step for mode   55=       -0.0000000122
 Unscaled step for mode   56=       -0.0000000094
 Unscaled step for mode   57=       -0.0000000005
 Unscaled step for mode   58=        0.0000000123
 Unscaled step for mode   59=        0.0000000026
 Unscaled step for mode   60=        0.0000000075
 Unscaled step for mode   61=       -0.0000000054
 Unscaled step for mode   62=       -0.0000000029
 Unscaled step for mode   63=       -0.0000000042
 Unscaled step for mode   64=       -0.0000000095
 Unscaled step for mode   65=       -0.0000000024
 Unscaled step for mode   66=       -0.0000000060
 Unscaled step for mode   67=       -0.0000000135
 Unscaled step for mode   68=       -0.0000000068
 Unscaled step for mode   69=        0.0000000012
 Unscaled step for mode   70=        0.0000000126
 Unscaled step for mode   71=        0.0000000014
 Unscaled step for mode   72=        0.0000000139
 Unscaled step for mode   73=        0.0000000039
 Unscaled step for mode   74=        0.0000000339
 Unscaled step for mode   75=       -0.0000000063
 Unscaled step for mode   76=       -0.0000000027
 Unscaled step for mode   77=       -0.0000000639
 Unscaled step for mode   78=        0.0000000070
 Unscaled step for mode   79=        0.0000000119
 Unscaled step for mode   80=        0.0000000081
 Unscaled step for mode   81=        0.0000000020
 Unscaled step for mode   82=       -0.0000000005
 Unscaled step for mode   83=       -0.0000000289
 Unscaled step for mode   84=       -0.0000000229
 Unscaled step for mode   85=       -0.0000000730
 Unscaled step for mode   86=        0.0000000394
 Unscaled step for mode   87=       -0.0000000009
 Unscaled step for mode   88=       -0.0000001222
 Unscaled step for mode   89=       -0.0000000693
 Unscaled step for mode   90=       -0.0000001089
 Unscaled step for mode   91=        0.0000000299
 Unscaled step for mode   92=        0.0000000227
 Unscaled step for mode   93=       -0.0000000378
 Unscaled step for mode   94=       -0.0000000155
 Unscaled step for mode   95=       -0.0000001009
 Unscaled step for mode   96=        0.0000000447
 Unscaled step for mode   97=        0.0000000303
 Unscaled step for mode   98=       -0.0000000931
 Unscaled step for mode   99=       -0.0000001011
 Unscaled step for mode  100=       -0.0000000042
 Unscaled step for mode  101=       -0.0000001752
 Unscaled step for mode  102=       -0.0000003410
 Unscaled step for mode  103=        0.0000000964
 Unscaled step for mode  104=        0.0000005110
 Unscaled step for mode  105=       -0.0000000016
 Unscaled step for mode  106=        0.0000002037
 Unscaled step for mode  107=       -0.0000007415
 Unscaled step for mode  108=        0.0000006739
 Unscaled step for mode  109=       -0.0000009426
 Unscaled step for mode  110=        0.0002570182
 Unscaled step for mode  111=        0.0000005230
 Unscaled step for mode  112=        0.0038664669
 Unscaled step for mode  113=        0.0157287862
 Unscaled step for mode  114=       -0.2660981611
 Largest modulus ratio of non-zero e/values=           234.1960762    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.431512E-16    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.200968E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.316804E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.708797E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.401332E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.271236E-14    0.974281E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.703929E-06    0.746459E+03  0.943024E-09 0.100000E-04    0.910718E+00
   8   -0.213964E-06    0.674137E+03  0.317390E-09 0.100000E-04    0.950995E+00
   9    0.109929E-06    0.630537E+03 -0.174342E-09 0.100000E-04    0.365847E+00
  10    0.365011E-06    0.600848E+03 -0.607494E-09 0.100000E-04    0.911383E+00
  11   -0.300824E-06    0.586408E+03  0.512994E-09 0.100000E-04    0.877842E+00
  12   -0.717084E-06    0.578879E+03  0.123875E-08 0.100000E-04    0.977114E+00
  13   -0.142548E-06    0.565120E+03  0.252244E-09 0.100000E-04    0.776838E+00
  14    0.141795E-05    0.487454E+03 -0.290888E-08 0.100000E-04    0.917837E+00
  15    0.277415E-06    0.460689E+03 -0.602174E-09 0.100000E-04    0.767160E+00
  16    0.837589E-07    0.459812E+03 -0.182159E-09 0.100000E-04    0.748854E+00
  17   -0.238237E-06    0.441693E+03  0.539371E-09 0.100000E-04    0.971115E+00
  18    0.734181E-07    0.429300E+03 -0.171018E-09 0.109000E-04    0.352532E-01
  19   -0.789551E-07    0.421950E+03  0.187119E-09 0.100000E-04    0.616205E+00
  20   -0.727828E-06    0.408041E+03  0.178371E-08 0.100000E-04    0.951447E+00
  21    0.296734E-06    0.396372E+03 -0.748623E-09 0.100000E-04    0.815978E+00
  22   -0.203609E-06    0.387557E+03  0.525366E-09 0.100000E-04    0.967336E+00
  23    0.382797E-06    0.369995E+03 -0.103460E-08 0.100000E-04    0.981626E+00
  24    0.325393E-06    0.360555E+03 -0.902479E-09 0.100000E-04    0.842070E+00
  25   -0.620366E-06    0.349386E+03  0.177559E-08 0.100000E-04    0.851485E+00
  26   -0.716380E-06    0.335275E+03  0.213669E-08 0.100000E-04    0.863637E+00
  27    0.715028E-06    0.329249E+03 -0.217169E-08 0.100000E-04    0.976397E+00
  28    0.570329E-06    0.321848E+03 -0.177205E-08 0.100000E-04    0.852284E+00
  29    0.154251E-05    0.319090E+03 -0.483409E-08 0.100000E-04    0.888388E+00
  30   -0.114954E-05    0.309476E+03  0.371447E-08 0.100000E-04    0.942158E+00
  31   -0.520691E-06    0.300855E+03  0.173071E-08 0.100000E-04    0.922158E+00
  32   -0.200767E-05    0.290584E+03  0.690909E-08 0.100000E-04    0.938659E+00
  33    0.112049E-05    0.278908E+03 -0.401743E-08 0.100000E-04    0.909070E+00
  34   -0.111212E-05    0.272707E+03  0.407808E-08 0.100000E-04    0.903404E+00
  35   -0.230123E-06    0.268520E+03  0.857003E-09 0.100000E-04    0.771837E+00
  36    0.319406E-05    0.264935E+03 -0.120560E-07 0.100000E-04    0.920256E+00
  37    0.937022E-07    0.263785E+03 -0.355221E-09 0.100000E-04    0.257991E+00
  38    0.908287E-06    0.253245E+03 -0.358660E-08 0.100000E-04    0.910018E+00
  39   -0.125240E-05    0.241552E+03  0.518482E-08 0.100000E-04    0.886176E+00
  40   -0.226671E-05    0.240756E+03  0.941500E-08 0.100000E-04    0.931451E+00
  41   -0.143474E-05    0.233966E+03  0.613224E-08 0.100000E-04    0.911680E+00
  42   -0.997785E-06    0.227509E+03  0.438569E-08 0.100000E-04    0.966788E+00
  43    0.341472E-06    0.217094E+03 -0.157292E-08 0.100000E-04    0.973109E+00
  44   -0.180318E-05    0.214885E+03  0.839138E-08 0.100000E-04    0.936536E+00
  45    0.384800E-06    0.213268E+03 -0.180430E-08 0.100000E-04    0.948188E+00
  46    0.222337E-05    0.207646E+03 -0.107075E-07 0.100000E-04    0.916652E+00
  47   -0.175177E-05    0.203019E+03  0.862860E-08 0.100000E-04    0.918809E+00
  48    0.219409E-05    0.195483E+03 -0.112239E-07 0.100000E-04    0.879840E+00
  49    0.144859E-05    0.194827E+03 -0.743526E-08 0.100000E-04    0.906940E+00
  50    0.103993E-05    0.191342E+03 -0.543490E-08 0.100000E-04    0.947909E+00
  51   -0.663211E-07    0.182926E+03  0.362557E-09 0.100000E-04    0.106910E+01
  52    0.223855E-06    0.174315E+03 -0.128420E-08 0.100000E-04    0.633817E+00
  53   -0.165923E-05    0.172321E+03  0.962872E-08 0.100000E-04    0.898898E+00
  54   -0.913037E-06    0.168204E+03  0.542814E-08 0.100000E-04    0.860719E+00
  55    0.199425E-05    0.163245E+03 -0.122163E-07 0.100000E-04    0.918919E+00
  56    0.148111E-05    0.156887E+03 -0.944062E-08 0.100000E-04    0.970199E+00
  57    0.784220E-07    0.154889E+03 -0.506311E-09 0.100000E-04    0.666980E+00
  58   -0.188017E-05    0.152265E+03  0.123480E-07 0.100000E-04    0.915977E+00
  59   -0.379224E-06    0.146699E+03  0.258505E-08 0.100000E-04    0.794043E+00
  60   -0.107859E-05    0.143370E+03  0.752313E-08 0.100000E-04    0.856174E+00
  61    0.750896E-06    0.138064E+03 -0.543877E-08 0.100000E-04    0.783252E+00
  62    0.387821E-06    0.135873E+03 -0.285430E-08 0.100000E-04    0.815141E+00
  63    0.551104E-06    0.130307E+03 -0.422929E-08 0.100000E-04    0.953905E+00
  64    0.122159E-05    0.128826E+03 -0.948243E-08 0.100000E-04    0.870485E+00
  65    0.298260E-06    0.126884E+03 -0.235065E-08 0.100000E-04    0.845276E+00
  66    0.745014E-06    0.124135E+03 -0.600164E-08 0.100000E-04    0.936372E+00
  67    0.161591E-05    0.120000E+03 -0.134658E-07 0.100000E-04    0.955651E+00
  68    0.800486E-06    0.118163E+03 -0.677443E-08 0.100000E-04    0.858787E+00
  69   -0.135260E-06    0.116864E+03  0.115741E-08 0.100000E-04    0.773779E+00
  70   -0.139380E-05    0.110352E+03  0.126305E-07 0.100000E-04    0.911996E+00
  71   -0.148911E-06    0.106843E+03  0.139374E-08 0.100000E-04    0.842133E+00
  72   -0.144868E-05    0.104434E+03  0.138717E-07 0.100000E-04    0.889703E+00
  73   -0.401184E-06    0.102848E+03  0.390076E-08 0.100000E-04    0.803050E+00
  74   -0.337247E-05    0.995223E+02  0.338866E-07 0.100000E-04    0.905706E+00
  75    0.607245E-06    0.960981E+02 -0.631901E-08 0.100000E-04    0.784514E+00
  76    0.256587E-06    0.941155E+02 -0.272630E-08 0.100000E-04    0.840381E+00
  77    0.587809E-05    0.919952E+02 -0.638956E-07 0.100000E-04    0.911578E+00
  78   -0.638813E-06    0.912155E+02  0.700333E-08 0.100000E-04    0.637820E+00
  79   -0.104823E-05    0.884464E+02  0.118516E-07 0.100000E-04    0.870862E+00
  80   -0.691980E-06    0.855914E+02  0.808469E-08 0.100000E-04    0.931879E+00
  81   -0.162580E-06    0.808288E+02  0.201142E-08 0.100000E-04    0.934888E+00
  82    0.396389E-07    0.804682E+02 -0.492604E-09 0.100000E-04    0.633781E+00
  83    0.225543E-05    0.779639E+02 -0.289292E-07 0.100000E-04    0.948646E+00
  84    0.167709E-05    0.732966E+02 -0.228809E-07 0.100000E-04    0.866491E+00
  85    0.529621E-05    0.725868E+02 -0.729638E-07 0.100000E-04    0.927262E+00
  86   -0.267666E-05    0.679304E+02  0.394030E-07 0.100000E-04    0.883759E+00
  87    0.560871E-07    0.647773E+02 -0.865846E-09 0.100000E-04    0.409347E+00
  88    0.750031E-05    0.613782E+02 -0.122198E-06 0.100000E-04    0.925968E+00
  89    0.414576E-05    0.598487E+02 -0.692706E-07 0.100000E-04    0.932195E+00
  90    0.646894E-05    0.593939E+02 -0.108916E-06 0.100000E-04    0.899758E+00
  91   -0.173871E-05    0.581414E+02  0.299049E-07 0.100000E-04    0.748323E+00
  92   -0.127018E-05    0.558788E+02  0.227310E-07 0.100000E-04    0.875785E+00
  93    0.198355E-05    0.524538E+02 -0.378152E-07 0.100000E-04    0.970675E+00
  94    0.807397E-06    0.520474E+02 -0.155127E-07 0.100000E-04    0.870594E+00
  95    0.506539E-05    0.502061E+02 -0.100892E-06 0.100000E-04    0.921900E+00
  96   -0.206556E-05    0.461903E+02  0.447185E-07 0.100000E-04    0.953380E+00
  97   -0.131293E-05    0.433176E+02  0.303094E-07 0.100000E-04    0.766840E+00
  98    0.380936E-05    0.409068E+02 -0.931228E-07 0.100000E-04    0.875950E+00
  99    0.382812E-05    0.378705E+02 -0.101085E-06 0.100000E-04    0.965394E+00
 100    0.153515E-06    0.362246E+02 -0.423787E-08 0.100000E-04    0.129634E+01
 101    0.565904E-05    0.322946E+02 -0.175232E-06 0.100000E-04    0.990116E+00
 102    0.984863E-05    0.288826E+02 -0.340988E-06 0.100000E-04    0.895706E+00
 103   -0.274389E-05    0.284501E+02  0.964454E-07 0.100000E-04    0.865614E+00
 104   -0.134328E-04    0.262882E+02  0.510984E-06 0.100000E-04    0.920008E+00
 105    0.363570E-07    0.233315E+02 -0.155828E-08 0.109000E-04    0.101129E+00
 106   -0.434107E-05    0.213148E+02  0.203664E-06 0.100000E-04    0.960189E+00
 107    0.147247E-04    0.198593E+02 -0.741451E-06 0.100000E-04    0.944882E+00
 108   -0.110964E-04    0.164663E+02  0.673885E-06 0.100000E-04    0.998652E+00
 109    0.131053E-04    0.139038E+02 -0.942572E-06 0.100000E-04    0.931720E+00
 110   -0.314611E-02    0.122408E+02  0.560441E-04 0.560441E-04    0.853794E-02
 111   -0.527888E-05    0.100927E+02  0.523038E-06 0.100000E-04    0.832479E+00
 112   -0.347121E-01    0.897760E+01  0.100000E-04 0.100000E-04    0.536693E+00
 113   -0.903145E-01    0.574056E+01  0.100000E-04 0.100000E-04    0.375482E+00
 114   -0.912773E+00    0.318733E+01 -0.141158E-04 0.141158E-04    0.964909E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.5604410768E-04    0.2660981611    

 Beginning of optimization cycle  550.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2998872381
 potential> RMS force:                                               0.0859716516   |gradient|=.9179260511    
 Eigenvalues of the Hessian matrix:
   746.45939    674.13410    630.53474    600.84796    586.40618    578.87757 
   565.12013    487.45671    460.68746    459.80989    441.69416    429.30393 
   421.94733    408.03877    396.37112    387.55419    369.99711    360.55584 
   349.38609    335.27295    329.25055    321.84631    319.09105    309.47133 
   300.85394    290.58688    278.90975    272.70782    268.52126    264.93525 
   263.78871    253.24564    241.55396    240.75436    233.96727    227.50804 
   217.09525    214.88457    213.26990    207.64701    203.01943    195.48204 
   194.82568    191.34132    182.92533    174.31565    172.32197    168.20374 
   163.24415    156.88697    154.88799    152.26451    146.69898    143.36995 
   138.06395    135.87276    130.30621    128.82689    126.88480    124.13471 
   120.00077    118.16230    116.86316    110.35131    106.84132    104.43532 
   102.84871     99.52100     96.09853     94.11532     91.99460     91.21641 
    88.44654     85.59172     80.82925     80.46763     77.96483     73.29633 
    72.58655     67.93084     64.77753     61.37771     59.84875     59.39411 
    58.14098     55.88030     52.45327     52.04780     50.20697     46.18830 
    43.31617     40.90751     37.87036     36.22464     32.29350     28.88303 
    28.45006     26.28765     23.33290     21.31471     19.85944     16.46524 
    13.90420     12.24115     10.09300      8.97904      5.74006      3.18682 
overlap for current and previous eigenvector    109 is         0.9999999473
overlap for current and previous eigenvector    110 is         0.9999997908
overlap for current and previous eigenvector    111 is         0.9999998266
overlap for current and previous eigenvector    112 is         0.9999999677
overlap for current and previous eigenvector    113 is         0.9999999807
overlap for current and previous eigenvector    114 is         0.9999999979
J1,K1,R1,R2,RAT=   7   7   -0.8924766107E-01     2.089246814        0.9107523389    
FOB,PFOB,DIAG,PSTEP=   -0.7667526821E-06   -0.7039286683E-06     746.4593913        0.9430237929E-09
J1,K1,R1,R2,RAT=   8   8   -0.5180404247E-01     2.051812963        0.9481959575    
FOB,PFOB,DIAG,PSTEP=   -0.2250483286E-06   -0.2139641692E-06     674.1340999        0.3173896928E-09
J1,K1,R1,R2,RAT=   9   9   -0.4248668043         2.424873929        0.5751331957    
FOB,PFOB,DIAG,PSTEP=    0.1566340701E-06    0.1099290376E-06     630.5347398       -0.1743419341E-09
J1,K1,R1,R2,RAT=  10  10   -0.8933415225E-01     2.089333378        0.9106658478    
FOB,PFOB,DIAG,PSTEP=    0.3976190969E-06    0.3650111249E-06     600.8479596       -0.6074935603E-09
J1,K1,R1,R2,RAT=  11  11   -0.1193350546         2.119341827        0.8806649454    
FOB,PFOB,DIAG,PSTEP=   -0.3367228044E-06   -0.3008240693E-06     586.4061774        0.5129943412E-09
J1,K1,R1,R2,RAT= 109 109   -0.7158181098E-01     2.071527965        0.9284181890    
FOB,PFOB,DIAG,PSTEP=    0.1404347748E-04    0.1310534770E-04     13.90419684       -0.9425715625E-06
J1,K1,R1,R2,RAT= 110 110    0.9907175118         8.181024940        0.9282488179E-02
FOB,PFOB,DIAG,PSTEP=   -0.2466435576E-02   -0.3146111916E-02     12.24115377        0.5604410768E-04
J1,K1,R1,R2,RAT= 111 111   -0.1668301635         2.166774360        0.8331698365    
FOB,PFOB,DIAG,PSTEP=   -0.6159575260E-05   -0.5278875092E-05     10.09300164        0.5230379005E-06
J1,K1,R1,R2,RAT= 112 112    0.4483451429         772.7324073        0.5516548571    
FOB,PFOB,DIAG,PSTEP=   -0.3467184279E-01   -0.3471209987E-01     8.979038799        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    0.7521486661         3146.062331        0.2478513339    
FOB,PFOB,DIAG,PSTEP=   -0.9027128522E-01   -0.9031445898E-01     5.740056147        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    0.9265336930        -40582.50259        0.7346630701E-01
FOB,PFOB,DIAG,PSTEP=   -0.9128149368       -0.9127732571         3.186823432       -0.1411581610E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00001     -0.00000      0.00000     -0.00001     -0.00000      0.00001 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001     -0.00001 
     0.00000      0.00001      0.00000     -0.00000     -0.00002     -0.00001 
     0.00001     -0.00247     -0.00001     -0.03467     -0.09027     -0.91281 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3837881474
 Log product of positive Hessian eigenvalues =          519.0683182998
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1868234318
 Unscaled step for mode    7=        0.0000000010
 Unscaled step for mode    8=        0.0000000003
 Unscaled step for mode    9=       -0.0000000002
 Unscaled step for mode   10=       -0.0000000007
 Unscaled step for mode   11=        0.0000000006
 Unscaled step for mode   12=        0.0000000013
 Unscaled step for mode   13=        0.0000000003
 Unscaled step for mode   14=       -0.0000000032
 Unscaled step for mode   15=       -0.0000000007
 Unscaled step for mode   16=       -0.0000000002
 Unscaled step for mode   17=        0.0000000005
 Unscaled step for mode   18=       -0.0000000003
 Unscaled step for mode   19=        0.0000000002
 Unscaled step for mode   20=        0.0000000019
 Unscaled step for mode   21=       -0.0000000009
 Unscaled step for mode   22=        0.0000000005
 Unscaled step for mode   23=       -0.0000000010
 Unscaled step for mode   24=       -0.0000000010
 Unscaled step for mode   25=        0.0000000020
 Unscaled step for mode   26=        0.0000000024
 Unscaled step for mode   27=       -0.0000000022
 Unscaled step for mode   28=       -0.0000000020
 Unscaled step for mode   29=       -0.0000000054
 Unscaled step for mode   30=        0.0000000039
 Unscaled step for mode   31=        0.0000000019
 Unscaled step for mode   32=        0.0000000073
 Unscaled step for mode   33=       -0.0000000044
 Unscaled step for mode   34=        0.0000000045
 Unscaled step for mode   35=        0.0000000010
 Unscaled step for mode   36=       -0.0000000130
 Unscaled step for mode   37=       -0.0000000005
 Unscaled step for mode   38=       -0.0000000039
 Unscaled step for mode   39=        0.0000000058
 Unscaled step for mode   40=        0.0000000101
 Unscaled step for mode   41=        0.0000000067
 Unscaled step for mode   42=        0.0000000045
 Unscaled step for mode   43=       -0.0000000016
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000019
 Unscaled step for mode   46=       -0.0000000116
 Unscaled step for mode   47=        0.0000000093
 Unscaled step for mode   48=       -0.0000000125
 Unscaled step for mode   49=       -0.0000000081
 Unscaled step for mode   50=       -0.0000000057
 Unscaled step for mode   51=        0.0000000006
 Unscaled step for mode   52=        0.0000000017
 Unscaled step for mode   53=       -0.0000000106
 Unscaled step for mode   54=        0.0000000062
 Unscaled step for mode   55=       -0.0000000132
 Unscaled step for mode   56=       -0.0000000097
 Unscaled step for mode   57=        0.0000000002
 Unscaled step for mode   58=       -0.0000000134
 Unscaled step for mode   59=        0.0000000031
 Unscaled step for mode   60=       -0.0000000086
 Unscaled step for mode   61=       -0.0000000065
 Unscaled step for mode   62=       -0.0000000033
 Unscaled step for mode   63=        0.0000000040
 Unscaled step for mode   64=        0.0000000107
 Unscaled step for mode   65=        0.0000000019
 Unscaled step for mode   66=        0.0000000064
 Unscaled step for mode   67=       -0.0000000141
 Unscaled step for mode   68=       -0.0000000077
 Unscaled step for mode   69=        0.0000000014
 Unscaled step for mode   70=       -0.0000000137
 Unscaled step for mode   71=       -0.0000000011
 Unscaled step for mode   72=       -0.0000000154
 Unscaled step for mode   73=        0.0000000046
 Unscaled step for mode   74=        0.0000000371
 Unscaled step for mode   75=       -0.0000000075
 Unscaled step for mode   76=       -0.0000000031
 Unscaled step for mode   77=       -0.0000000696
 Unscaled step for mode   78=       -0.0000000090
 Unscaled step for mode   79=        0.0000000133
 Unscaled step for mode   80=        0.0000000087
 Unscaled step for mode   81=        0.0000000019
 Unscaled step for mode   82=        0.0000000002
 Unscaled step for mode   83=        0.0000000305
 Unscaled step for mode   84=        0.0000000258
 Unscaled step for mode   85=       -0.0000000784
 Unscaled step for mode   86=        0.0000000439
 Unscaled step for mode   87=       -0.0000000005
 Unscaled step for mode   88=        0.0000001314
 Unscaled step for mode   89=        0.0000000741
 Unscaled step for mode   90=       -0.0000001197
 Unscaled step for mode   91=        0.0000000365
 Unscaled step for mode   92=        0.0000000254
 Unscaled step for mode   93=        0.0000000390
 Unscaled step for mode   94=       -0.0000000175
 Unscaled step for mode   95=        0.0000001088
 Unscaled step for mode   96=       -0.0000000469
 Unscaled step for mode   97=       -0.0000000365
 Unscaled step for mode   98=       -0.0000001044
 Unscaled step for mode   99=       -0.0000001048
 Unscaled step for mode  100=       -0.0000000102
 Unscaled step for mode  101=       -0.0000001771
 Unscaled step for mode  102=        0.0000003762
 Unscaled step for mode  103=       -0.0000001090
 Unscaled step for mode  104=       -0.0000005523
 Unscaled step for mode  105=       -0.0000000201
 Unscaled step for mode  106=        0.0000001941
 Unscaled step for mode  107=        0.0000007843
 Unscaled step for mode  108=        0.0000006725
 Unscaled step for mode  109=       -0.0000010100
 Unscaled step for mode  110=        0.0002014872
 Unscaled step for mode  111=        0.0000006103
 Unscaled step for mode  112=        0.0038613627
 Unscaled step for mode  113=        0.0157226633
 Unscaled step for mode  114=       -0.2661450673
 Largest modulus ratio of non-zero e/values=           234.2330560    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.394107E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.107618E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.100072E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.720778E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.101624E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.412323E-14    0.974282E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.766753E-06    0.746459E+03  0.102719E-08 0.100000E-04    0.910752E+00
   8   -0.225048E-06    0.674134E+03  0.333833E-09 0.100000E-04    0.948196E+00
   9    0.156634E-06    0.630535E+03 -0.248415E-09 0.100000E-04    0.575133E+00
  10    0.397619E-06    0.600848E+03 -0.661763E-09 0.100000E-04    0.910666E+00
  11   -0.336723E-06    0.586406E+03  0.574214E-09 0.100000E-04    0.880665E+00
  12   -0.734304E-06    0.578878E+03  0.126850E-08 0.100000E-04    0.975986E+00
  13   -0.171262E-06    0.565120E+03  0.303053E-09 0.100000E-04    0.798573E+00
  14    0.153634E-05    0.487457E+03 -0.315175E-08 0.100000E-04    0.916502E+00
  15    0.334279E-06    0.460687E+03 -0.725610E-09 0.100000E-04    0.795021E+00
  16    0.102610E-06    0.459810E+03 -0.223157E-09 0.100000E-04    0.774940E+00
  17   -0.230290E-06    0.441694E+03  0.521380E-09 0.100000E-04    0.966642E+00
  18    0.114259E-06    0.429304E+03 -0.266150E-09 0.100000E-04    0.443720E+00
  19   -0.103126E-06    0.421947E+03  0.244404E-09 0.100000E-04    0.693866E+00
  20   -0.764378E-06    0.408039E+03  0.187330E-08 0.100000E-04    0.949783E+00
  21    0.346425E-06    0.396371E+03 -0.873991E-09 0.100000E-04    0.832539E+00
  22   -0.196035E-06    0.387554E+03  0.505827E-09 0.100000E-04    0.962803E+00
  23    0.374412E-06    0.369997E+03 -0.101193E-08 0.100000E-04    0.978086E+00
  24    0.374133E-06    0.360556E+03 -0.103766E-08 0.100000E-04    0.850213E+00
  25   -0.707569E-06    0.349386E+03  0.202518E-08 0.100000E-04    0.859434E+00
  26   -0.809769E-06    0.335273E+03  0.241525E-08 0.100000E-04    0.869637E+00
  27    0.732557E-06    0.329251E+03 -0.222492E-08 0.100000E-04    0.975485E+00
  28    0.650417E-06    0.321846E+03 -0.202089E-08 0.100000E-04    0.859576E+00
  29    0.171098E-05    0.319091E+03 -0.536203E-08 0.100000E-04    0.890785E+00
  30   -0.121789E-05    0.309471E+03  0.393540E-08 0.100000E-04    0.940537E+00
  31   -0.561887E-06    0.300854E+03  0.186764E-08 0.100000E-04    0.920883E+00
  32   -0.213400E-05    0.290587E+03  0.734377E-08 0.100000E-04    0.937076E+00
  33    0.122212E-05    0.278910E+03 -0.438177E-08 0.100000E-04    0.909303E+00
  34   -0.121862E-05    0.272708E+03  0.446860E-08 0.100000E-04    0.904236E+00
  35   -0.277240E-06    0.268521E+03  0.103247E-08 0.100000E-04    0.795254E+00
  36    0.345153E-05    0.264935E+03 -0.130278E-07 0.100000E-04    0.919390E+00
  37    0.135930E-06    0.263789E+03 -0.515300E-09 0.100000E-04    0.549341E+00
  38    0.990101E-06    0.253246E+03 -0.390965E-08 0.100000E-04    0.909925E+00
  39   -0.139292E-05    0.241554E+03  0.576649E-08 0.100000E-04    0.887806E+00
  40   -0.242428E-05    0.240754E+03  0.100695E-07 0.100000E-04    0.930487E+00
  41   -0.156101E-05    0.233967E+03  0.667193E-08 0.100000E-04    0.911985E+00
  42   -0.103341E-05    0.227508E+03  0.454230E-08 0.100000E-04    0.964295E+00
  43    0.350586E-06    0.217095E+03 -0.161489E-08 0.100000E-04    0.973311E+00
  44   -0.192078E-05    0.214885E+03  0.893866E-08 0.100000E-04    0.934781E+00
  45    0.405178E-06    0.213270E+03 -0.189984E-08 0.100000E-04    0.947042E+00
  46    0.240982E-05    0.207647E+03 -0.116054E-07 0.100000E-04    0.916139E+00
  47   -0.189479E-05    0.203019E+03  0.933303E-08 0.100000E-04    0.918358E+00
  48    0.245067E-05    0.195482E+03 -0.125365E-07 0.100000E-04    0.883056E+00
  49    0.158295E-05    0.194826E+03 -0.812495E-08 0.100000E-04    0.907245E+00
  50    0.109763E-05    0.191341E+03 -0.573650E-08 0.100000E-04    0.944511E+00
  51   -0.116013E-06    0.182925E+03  0.634209E-09 0.100000E-04    0.250737E+00
  52   -0.289375E-06    0.174316E+03  0.166006E-08 0.100000E-04    0.707312E+00
  53    0.182530E-05    0.172322E+03 -0.105924E-07 0.100000E-04    0.899915E+00
  54   -0.103526E-05    0.168204E+03  0.615481E-08 0.100000E-04    0.866133E+00
  55    0.215722E-05    0.163244E+03 -0.132147E-07 0.100000E-04    0.918278E+00
  56    0.152768E-05    0.156887E+03 -0.973748E-08 0.100000E-04    0.968554E+00
  57   -0.359762E-07    0.154888E+03  0.232273E-09 0.100000E-04    0.458748E+00
  58    0.203896E-05    0.152265E+03 -0.133909E-07 0.100000E-04    0.915544E+00
  59   -0.449406E-06    0.146699E+03  0.306345E-08 0.100000E-04    0.814933E+00
  60    0.122635E-05    0.143370E+03 -0.855372E-08 0.100000E-04    0.863014E+00
  61    0.897066E-06    0.138064E+03 -0.649746E-08 0.100000E-04    0.805340E+00
  62    0.454192E-06    0.135873E+03 -0.334278E-08 0.100000E-04    0.828861E+00
  63   -0.522780E-06    0.130306E+03  0.401193E-08 0.100000E-04    0.948604E+00
  64   -0.137430E-05    0.128827E+03  0.106678E-07 0.100000E-04    0.874991E+00
  65   -0.239847E-06    0.126885E+03  0.189027E-08 0.100000E-04    0.804145E+00
  66   -0.794484E-06    0.124135E+03  0.640018E-08 0.100000E-04    0.933598E+00
  67    0.169034E-05    0.120001E+03 -0.140861E-07 0.100000E-04    0.953937E+00
  68    0.908907E-06    0.118162E+03 -0.769202E-08 0.100000E-04    0.864556E+00
  69   -0.162456E-06    0.116863E+03  0.139014E-08 0.100000E-04    0.798933E+00
  70    0.151633E-05    0.110351E+03 -0.137409E-07 0.100000E-04    0.912086E+00
  71    0.117486E-06    0.106841E+03 -0.109963E-08 0.100000E-04    0.788965E+00
  72    0.160532E-05    0.104435E+03 -0.153714E-07 0.100000E-04    0.891871E+00
  73   -0.473542E-06    0.102849E+03  0.460426E-08 0.100000E-04    0.819642E+00
  74   -0.369022E-05    0.995210E+02  0.370798E-07 0.100000E-04    0.905781E+00
  75    0.723655E-06    0.960985E+02 -0.753034E-08 0.100000E-04    0.808298E+00
  76    0.296373E-06    0.941153E+02 -0.314904E-08 0.100000E-04    0.844944E+00
  77    0.639948E-05    0.919946E+02 -0.695637E-07 0.100000E-04    0.911299E+00
  78    0.824135E-06    0.912164E+02 -0.903495E-08 0.100000E-04    0.709898E+00
  79   -0.117916E-05    0.884465E+02  0.133319E-07 0.100000E-04    0.875094E+00
  80   -0.740520E-06    0.855917E+02  0.865178E-08 0.100000E-04    0.929853E+00
  81   -0.149634E-06    0.808293E+02  0.185123E-08 0.100000E-04    0.920356E+00
  82   -0.138774E-07    0.804676E+02  0.172459E-09 0.100000E-04    0.350090E+00
  83   -0.237642E-05    0.779648E+02  0.304806E-07 0.100000E-04    0.946360E+00
  84   -0.189227E-05    0.732963E+02  0.258167E-07 0.100000E-04    0.871693E+00
  85    0.568923E-05    0.725866E+02 -0.783786E-07 0.100000E-04    0.925791E+00
  86   -0.298054E-05    0.679308E+02  0.438761E-07 0.100000E-04    0.886472E+00
  87    0.323543E-07    0.647775E+02 -0.499468E-09 0.100000E-04    0.576851E+00
  88   -0.806413E-05    0.613777E+02  0.131385E-06 0.100000E-04    0.924827E+00
  89   -0.443282E-05    0.598487E+02  0.740671E-07 0.100000E-04    0.930757E+00
  90    0.711183E-05    0.593941E+02 -0.119740E-06 0.100000E-04    0.900619E+00
  91   -0.212012E-05    0.581410E+02  0.364652E-07 0.100000E-04    0.780634E+00
  92   -0.142069E-05    0.558803E+02  0.254238E-07 0.100000E-04    0.881509E+00
  93   -0.204428E-05    0.524533E+02  0.389734E-07 0.100000E-04    0.969382E+00
  94    0.909502E-06    0.520478E+02 -0.174744E-07 0.100000E-04    0.873539E+00
  95   -0.546469E-05    0.502070E+02  0.108843E-06 0.100000E-04    0.921174E+00
  96    0.216566E-05    0.461883E+02 -0.468877E-07 0.100000E-04    0.951536E+00
  97    0.157919E-05    0.433162E+02 -0.364572E-07 0.100000E-04    0.797199E+00
  98    0.426929E-05    0.409075E+02 -0.104364E-06 0.100000E-04    0.879265E+00
  99    0.396808E-05    0.378704E+02 -0.104781E-06 0.100000E-04    0.963438E+00
 100    0.370776E-06    0.362246E+02 -0.102355E-07 0.100000E-04    0.415241E+00
 101    0.571960E-05    0.322935E+02 -0.177113E-06 0.100000E-04    0.989298E+00
 102   -0.108650E-04    0.288830E+02  0.376172E-06 0.100000E-04    0.896803E+00
 103    0.310051E-05    0.284501E+02 -0.108981E-06 0.100000E-04    0.870030E+00
 104    0.145195E-04    0.262877E+02 -0.552333E-06 0.100000E-04    0.919099E+00
 105    0.468166E-06    0.233329E+02 -0.200646E-07 0.100000E-04    0.108762E+02
 106   -0.413652E-05    0.213147E+02  0.194069E-06 0.100000E-04    0.952881E+00
 107   -0.155752E-04    0.198594E+02  0.784273E-06 0.100000E-04    0.942236E+00
 108   -0.110723E-04    0.164652E+02  0.672467E-06 0.100000E-04    0.997832E+00
 109    0.140435E-04    0.139042E+02 -0.101002E-05 0.100000E-04    0.928418E+00
 110   -0.246644E-02    0.122412E+02  0.610881E-04 0.610881E-04    0.928249E-02
 111   -0.615958E-05    0.100930E+02  0.610282E-06 0.100000E-04    0.833170E+00
 112   -0.346718E-01    0.897904E+01  0.100000E-04 0.100000E-04    0.551655E+00
 113   -0.902713E-01    0.574006E+01  0.100000E-04 0.100000E-04    0.247851E+00
 114   -0.912815E+00    0.318682E+01 -0.153862E-04 0.153862E-04    0.734663E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.6108807737E-04    0.2661450673    

 Beginning of optimization cycle  551.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2998745695
 potential> RMS force:                                               0.0859752122   |gradient|=.9179640679    
 Eigenvalues of the Hessian matrix:
   746.45963    674.13085    630.53213    600.84836    586.40402    578.87571 
   565.11998    487.46020    460.68562    459.80787    441.69495    429.30765 
   421.94434    408.03658    396.36988    387.55158    369.99896    360.55706 
   349.38592    335.27025    329.25194    321.84492    319.09207    309.46661 
   300.85318    290.58979    278.91207    272.70867    268.52252    264.93543 
   263.79221    253.24683    241.55618    240.75284    233.96855    227.50686 
   217.09611    214.88447    213.27171    207.64780    203.02004    195.48071 
   194.82476    191.34018    182.92433    174.31656    172.32289    168.20294 
   163.24298    156.88702    154.88687    152.26446    146.69889    143.36944 
   138.06424    135.87291    130.30585    128.82731    126.88554    124.13433 
   120.00112    118.16167    116.86227    110.35103    106.83961    104.43690 
   102.84965     99.51953     96.09901     94.11517     91.99391     91.21736 
    88.44666     85.59202     80.82974     80.46702     77.96587     73.29601 
    72.58631     67.93134     64.77782     61.37721     59.84882     59.39429 
    58.14055     55.88195     52.45268     52.04829     50.20793     46.18612 
    43.31456     40.90828     37.87022     36.22472     32.29231     28.88346 
    28.44997     26.28708     23.33439     21.31456     19.85962     16.46409 
    13.90460     12.24152     10.09332      8.98052      5.73947      3.18628 
overlap for current and previous eigenvector    109 is         0.9999999385
overlap for current and previous eigenvector    110 is        -0.9999997504
overlap for current and previous eigenvector    111 is        -0.9999997944
overlap for current and previous eigenvector    112 is        -0.9999999661
overlap for current and previous eigenvector    113 is        -0.9999999808
overlap for current and previous eigenvector    114 is        -0.9999999978
J1,K1,R1,R2,RAT=   7   7   -0.8922162922E-01     2.089220977        0.9107783708    
FOB,PFOB,DIAG,PSTEP=   -0.8351636279E-06   -0.7667526821E-06     746.4596349        0.1027186061E-08
J1,K1,R1,R2,RAT=   8   8   -0.5469470884E-01     2.054704345        0.9453052912    
FOB,PFOB,DIAG,PSTEP=   -0.2373572221E-06   -0.2250483286E-06     674.1308517        0.3338331775E-09
J1,K1,R1,R2,RAT=   9   9   -0.3265420053         2.326550294        0.6734579947    
FOB,PFOB,DIAG,PSTEP=    0.2077814615E-06    0.1566340701E-06     630.5321267       -0.2484146555E-09
J1,K1,R1,R2,RAT=  10  10   -0.9003720872E-01     2.090035867        0.9099627913    
FOB,PFOB,DIAG,PSTEP=    0.4334196346E-06    0.3976190969E-06     600.8483628       -0.6617632474E-09
J1,K1,R1,R2,RAT=  11  11   -0.1169623890         2.116969747        0.8830376110    
FOB,PFOB,DIAG,PSTEP=   -0.3761065632E-06   -0.3367228044E-06     586.4040201        0.5742142860E-09
J1,K1,R1,R2,RAT= 109 109   -0.7497955685E-01     2.074921488        0.9250204432    
FOB,PFOB,DIAG,PSTEP=    0.1509648177E-04    0.1404347748E-04     13.90460056       -0.1010017165E-05
J1,K1,R1,R2,RAT= 110 110     5.606385494        0.9900271771        0.9972822944E-02
FOB,PFOB,DIAG,PSTEP=    0.1726082183E-02   -0.2466435576E-02     12.24152427        0.6108807737E-04
J1,K1,R1,R2,RAT= 111 111     2.166148035       -0.1662102053        0.8337897947    
FOB,PFOB,DIAG,PSTEP=    0.7183391354E-05   -0.6159575260E-05     10.09331539        0.6102818051E-06
J1,K1,R1,R2,RAT= 112 112     771.7251727        0.4319356115        0.5680643885    
FOB,PFOB,DIAG,PSTEP=    0.3463305275E-01   -0.3467184279E-01     8.980515083        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     3144.738789        0.8911497241        0.1088502759    
FOB,PFOB,DIAG,PSTEP=    0.9022013793E-01   -0.9027128522E-01     5.739472665        0.1000000000E-04
J1,K1,R1,R2,RAT= 114 114    -37239.74815        0.9476541014        0.5234589862E-01
FOB,PFOB,DIAG,PSTEP=    0.9128613955       -0.9128149368         3.186284571       -0.1538623955E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00001      0.00000      0.00000      0.00001     -0.00000      0.00001 
     0.00000      0.00000     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00001      0.00001 
    -0.00000     -0.00002     -0.00000      0.00000      0.00002      0.00001 
     0.00002      0.00173      0.00001      0.03463      0.09022      0.91286 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3837159995
 Log product of positive Hessian eigenvalues =          519.0682210841
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1862845714
 Unscaled step for mode    7=        0.0000000011
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000003
 Unscaled step for mode   10=       -0.0000000007
 Unscaled step for mode   11=        0.0000000006
 Unscaled step for mode   12=        0.0000000013
 Unscaled step for mode   13=        0.0000000004
 Unscaled step for mode   14=       -0.0000000034
 Unscaled step for mode   15=       -0.0000000009
 Unscaled step for mode   16=       -0.0000000003
 Unscaled step for mode   17=        0.0000000005
 Unscaled step for mode   18=       -0.0000000004
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000020
 Unscaled step for mode   21=       -0.0000000010
 Unscaled step for mode   22=        0.0000000005
 Unscaled step for mode   23=       -0.0000000010
 Unscaled step for mode   24=       -0.0000000012
 Unscaled step for mode   25=        0.0000000023
 Unscaled step for mode   26=        0.0000000027
 Unscaled step for mode   27=       -0.0000000023
 Unscaled step for mode   28=       -0.0000000023
 Unscaled step for mode   29=       -0.0000000059
 Unscaled step for mode   30=        0.0000000042
 Unscaled step for mode   31=        0.0000000020
 Unscaled step for mode   32=        0.0000000078
 Unscaled step for mode   33=       -0.0000000048
 Unscaled step for mode   34=        0.0000000049
 Unscaled step for mode   35=        0.0000000012
 Unscaled step for mode   36=       -0.0000000141
 Unscaled step for mode   37=       -0.0000000007
 Unscaled step for mode   38=       -0.0000000043
 Unscaled step for mode   39=        0.0000000064
 Unscaled step for mode   40=        0.0000000108
 Unscaled step for mode   41=        0.0000000073
 Unscaled step for mode   42=        0.0000000047
 Unscaled step for mode   43=       -0.0000000017
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000020
 Unscaled step for mode   46=       -0.0000000126
 Unscaled step for mode   47=        0.0000000101
 Unscaled step for mode   48=       -0.0000000140
 Unscaled step for mode   49=       -0.0000000089
 Unscaled step for mode   50=       -0.0000000061
 Unscaled step for mode   51=        0.0000000009
 Unscaled step for mode   52=        0.0000000021
 Unscaled step for mode   53=       -0.0000000116
 Unscaled step for mode   54=        0.0000000070
 Unscaled step for mode   55=       -0.0000000143
 Unscaled step for mode   56=       -0.0000000101
 Unscaled step for mode   57=       -0.0000000001
 Unscaled step for mode   58=       -0.0000000145
 Unscaled step for mode   59=        0.0000000036
 Unscaled step for mode   60=       -0.0000000097
 Unscaled step for mode   61=       -0.0000000077
 Unscaled step for mode   62=        0.0000000039
 Unscaled step for mode   63=        0.0000000038
 Unscaled step for mode   64=        0.0000000120
 Unscaled step for mode   65=        0.0000000014
 Unscaled step for mode   66=        0.0000000068
 Unscaled step for mode   67=        0.0000000148
 Unscaled step for mode   68=       -0.0000000087
 Unscaled step for mode   69=        0.0000000016
 Unscaled step for mode   70=       -0.0000000149
 Unscaled step for mode   71=       -0.0000000008
 Unscaled step for mode   72=       -0.0000000170
 Unscaled step for mode   73=       -0.0000000054
 Unscaled step for mode   74=        0.0000000406
 Unscaled step for mode   75=       -0.0000000088
 Unscaled step for mode   76=       -0.0000000036
 Unscaled step for mode   77=       -0.0000000758
 Unscaled step for mode   78=       -0.0000000113
 Unscaled step for mode   79=        0.0000000149
 Unscaled step for mode   80=        0.0000000093
 Unscaled step for mode   81=        0.0000000017
 Unscaled step for mode   82=        0.0000000002
 Unscaled step for mode   83=       -0.0000000322
 Unscaled step for mode   84=       -0.0000000290
 Unscaled step for mode   85=        0.0000000843
 Unscaled step for mode   86=       -0.0000000488
 Unscaled step for mode   87=       -0.0000000020
 Unscaled step for mode   88=       -0.0000001414
 Unscaled step for mode   89=        0.0000000793
 Unscaled step for mode   90=       -0.0000001315
 Unscaled step for mode   91=       -0.0000000436
 Unscaled step for mode   92=       -0.0000000283
 Unscaled step for mode   93=        0.0000000402
 Unscaled step for mode   94=        0.0000000196
 Unscaled step for mode   95=       -0.0000001175
 Unscaled step for mode   96=        0.0000000492
 Unscaled step for mode   97=        0.0000000430
 Unscaled step for mode   98=        0.0000001167
 Unscaled step for mode   99=       -0.0000001088
 Unscaled step for mode  100=        0.0000000167
 Unscaled step for mode  101=        0.0000001791
 Unscaled step for mode  102=       -0.0000004146
 Unscaled step for mode  103=        0.0000001227
 Unscaled step for mode  104=        0.0000005975
 Unscaled step for mode  105=        0.0000000403
 Unscaled step for mode  106=       -0.0000001831
 Unscaled step for mode  107=       -0.0000008315
 Unscaled step for mode  108=       -0.0000006703
 Unscaled step for mode  109=       -0.0000010857
 Unscaled step for mode  110=       -0.0001410022
 Unscaled step for mode  111=       -0.0000007117
 Unscaled step for mode  112=       -0.0038564088
 Unscaled step for mode  113=       -0.0157153560
 Unscaled step for mode  114=        0.2661958763
 Largest modulus ratio of non-zero e/values=           234.2727456    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.396818E-16    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.230453E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.976324E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.336753E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.393710E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.336661E-14    0.974283E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.835164E-06    0.746460E+03  0.111883E-08 0.100000E-04    0.910778E+00
   8   -0.237357E-06    0.674131E+03  0.352094E-09 0.100000E-04    0.945305E+00
   9    0.207781E-06    0.630532E+03 -0.329534E-09 0.100000E-04    0.673458E+00
  10    0.433420E-06    0.600848E+03 -0.721346E-09 0.100000E-04    0.909963E+00
  11   -0.376107E-06    0.586404E+03  0.641378E-09 0.100000E-04    0.883038E+00
  12   -0.752769E-06    0.578876E+03  0.130040E-08 0.100000E-04    0.974854E+00
  13   -0.202995E-06    0.565120E+03  0.359207E-09 0.100000E-04    0.814707E+00
  14    0.166664E-05    0.487460E+03 -0.341904E-08 0.100000E-04    0.915187E+00
  15    0.395975E-06    0.460686E+03 -0.859533E-09 0.100000E-04    0.815437E+00
  16    0.123782E-06    0.459808E+03 -0.269204E-09 0.100000E-04    0.793659E+00
  17   -0.221358E-06    0.441695E+03  0.501156E-09 0.100000E-04    0.961209E+00
  18    0.158919E-06    0.429308E+03 -0.370176E-09 0.100000E-04    0.609140E+00
  19   -0.129846E-06    0.421944E+03  0.307732E-09 0.100000E-04    0.740896E+00
  20   -0.803998E-06    0.408037E+03  0.197041E-08 0.100000E-04    0.948166E+00
  21    0.399886E-06    0.396370E+03 -0.100887E-08 0.100000E-04    0.845676E+00
  22   -0.187678E-06    0.387552E+03  0.484266E-09 0.100000E-04    0.957368E+00
  23    0.364601E-06    0.369999E+03 -0.985411E-09 0.100000E-04    0.973786E+00
  24    0.427674E-06    0.360557E+03 -0.118615E-08 0.100000E-04    0.856892E+00
  25   -0.802318E-06    0.349386E+03  0.229637E-08 0.100000E-04    0.866092E+00
  26   -0.911270E-06    0.335270E+03  0.271802E-08 0.100000E-04    0.874653E+00
  27    0.751087E-06    0.329252E+03 -0.228119E-08 0.100000E-04    0.974705E+00
  28    0.737822E-06    0.321845E+03 -0.229248E-08 0.100000E-04    0.865615E+00
  29    0.189427E-05    0.319092E+03 -0.593644E-08 0.100000E-04    0.892871E+00
  30   -0.129206E-05    0.309467E+03  0.417513E-08 0.100000E-04    0.939099E+00
  31   -0.607000E-06    0.300853E+03  0.201760E-08 0.100000E-04    0.919710E+00
  32   -0.227147E-05    0.290590E+03  0.781677E-08 0.100000E-04    0.935582E+00
  33    0.133272E-05    0.278912E+03 -0.477829E-08 0.100000E-04    0.909498E+00
  34   -0.133443E-05    0.272709E+03  0.489325E-08 0.100000E-04    0.904967E+00
  35   -0.329224E-06    0.268523E+03  0.122606E-08 0.100000E-04    0.812495E+00
  36    0.373255E-05    0.264935E+03 -0.140885E-07 0.100000E-04    0.918581E+00
  37    0.180428E-06    0.263792E+03 -0.683978E-09 0.100000E-04    0.672649E+00
  38    0.107936E-05    0.253247E+03 -0.426208E-08 0.100000E-04    0.909851E+00
  39   -0.154728E-05    0.241556E+03  0.640548E-08 0.100000E-04    0.889179E+00
  40   -0.259489E-05    0.240753E+03  0.107782E-07 0.100000E-04    0.929622E+00
  41   -0.169795E-05    0.233969E+03  0.725716E-08 0.100000E-04    0.912279E+00
  42   -0.107294E-05    0.227507E+03  0.471607E-08 0.100000E-04    0.961751E+00
  43    0.359756E-06    0.217096E+03 -0.165713E-08 0.100000E-04    0.973843E+00
  44   -0.204933E-05    0.214884E+03  0.953688E-08 0.100000E-04    0.933075E+00
  45    0.427033E-06    0.213272E+03 -0.200229E-08 0.100000E-04    0.946062E+00
  46    0.261310E-05    0.207648E+03 -0.125843E-07 0.100000E-04    0.915645E+00
  47   -0.205023E-05    0.203020E+03  0.100987E-07 0.100000E-04    0.917964E+00
  48    0.273044E-05    0.195481E+03 -0.139678E-07 0.100000E-04    0.885839E+00
  49    0.172933E-05    0.194825E+03 -0.887633E-08 0.100000E-04    0.907527E+00
  50    0.116235E-05    0.191340E+03 -0.607479E-08 0.100000E-04    0.941035E+00
  51   -0.171344E-06    0.182924E+03  0.936693E-09 0.100000E-04    0.523057E+00
  52   -0.360957E-06    0.174317E+03  0.207070E-08 0.100000E-04    0.752634E+00
  53    0.200628E-05    0.172323E+03 -0.116426E-07 0.100000E-04    0.900848E+00
  54   -0.116914E-05    0.168203E+03  0.695074E-08 0.100000E-04    0.870686E+00
  55    0.233470E-05    0.163243E+03 -0.143020E-07 0.100000E-04    0.917727E+00
  56    0.157831E-05    0.156887E+03 -0.100601E-07 0.100000E-04    0.966864E+00
  57    0.997282E-08    0.154887E+03 -0.643878E-10 0.100000E-04    0.277201E+00
  58    0.221187E-05    0.152264E+03 -0.145265E-07 0.100000E-04    0.915198E+00
  59   -0.525420E-06    0.146699E+03  0.358162E-08 0.100000E-04    0.830856E+00
  60    0.138723E-05    0.143369E+03 -0.967595E-08 0.100000E-04    0.868807E+00
  61    0.105686E-05    0.138064E+03 -0.765485E-08 0.100000E-04    0.821869E+00
  62   -0.527006E-06    0.135873E+03  0.387867E-08 0.100000E-04    0.839684E+00
  63   -0.492601E-06    0.130306E+03  0.378034E-08 0.100000E-04    0.942272E+00
  64   -0.154086E-05    0.128827E+03  0.119607E-07 0.100000E-04    0.878801E+00
  65   -0.177506E-06    0.126886E+03  0.139894E-08 0.100000E-04    0.740070E+00
  66   -0.849462E-06    0.124134E+03  0.684309E-08 0.100000E-04    0.930800E+00
  67   -0.177101E-05    0.120001E+03  0.147582E-07 0.100000E-04    0.952280E+00
  68    0.102764E-05    0.118162E+03 -0.869686E-08 0.100000E-04    0.869370E+00
  69   -0.192018E-06    0.116862E+03  0.164312E-08 0.100000E-04    0.818026E+00
  70    0.164946E-05    0.110351E+03 -0.149474E-07 0.100000E-04    0.912205E+00
  71    0.820558E-07    0.106840E+03 -0.768028E-09 0.100000E-04    0.698424E+00
  72    0.177591E-05    0.104437E+03 -0.170046E-07 0.100000E-04    0.893737E+00
  73    0.552915E-06    0.102850E+03 -0.537595E-08 0.100000E-04    0.832386E+00
  74   -0.403767E-05    0.995195E+02  0.405716E-07 0.100000E-04    0.905844E+00
  75    0.849425E-06    0.960990E+02 -0.883906E-08 0.100000E-04    0.826202E+00
  76    0.341235E-06    0.941152E+02 -0.362571E-08 0.100000E-04    0.848631E+00
  77    0.696868E-05    0.919939E+02 -0.757516E-07 0.100000E-04    0.911054E+00
  78    0.102636E-05    0.912174E+02 -0.112518E-07 0.100000E-04    0.754624E+00
  79   -0.132220E-05    0.884467E+02  0.149492E-07 0.100000E-04    0.878696E+00
  80   -0.793931E-06    0.855920E+02  0.927576E-08 0.100000E-04    0.927874E+00
  81   -0.134743E-06    0.808297E+02  0.166700E-08 0.100000E-04    0.900474E+00
  82   -0.152007E-07    0.804670E+02  0.188906E-09 0.100000E-04    0.904641E+00
  83    0.250941E-05    0.779659E+02 -0.321860E-07 0.100000E-04    0.944039E+00
  84    0.212669E-05    0.732960E+02 -0.290151E-07 0.100000E-04    0.876115E+00
  85   -0.611956E-05    0.725863E+02  0.843074E-07 0.100000E-04    0.924361E+00
  86    0.331178E-05    0.679313E+02 -0.487518E-07 0.100000E-04    0.888867E+00
  87    0.129241E-06    0.647778E+02 -0.199515E-08 0.100000E-04    0.199455E+01
  88    0.867891E-05    0.613772E+02 -0.141403E-06 0.100000E-04    0.923762E+00
  89   -0.474590E-05    0.598488E+02  0.792982E-07 0.100000E-04    0.929372E+00
  90    0.781305E-05    0.593943E+02 -0.131545E-06 0.100000E-04    0.901400E+00
  91    0.253676E-05    0.581405E+02 -0.436315E-07 0.100000E-04    0.803483E+00
  92    0.158204E-05    0.558820E+02 -0.283104E-07 0.100000E-04    0.886431E+00
  93   -0.210919E-05    0.524527E+02  0.402114E-07 0.100000E-04    0.968247E+00
  94   -0.102227E-05    0.520483E+02  0.196408E-07 0.100000E-04    0.876011E+00
  95    0.589915E-05    0.502079E+02 -0.117494E-06 0.100000E-04    0.920498E+00
  96   -0.227413E-05    0.461861E+02  0.492384E-07 0.100000E-04    0.949913E+00
  97   -0.186424E-05    0.433146E+02  0.430395E-07 0.100000E-04    0.819489E+00
  98   -0.477237E-05    0.409083E+02  0.116660E-06 0.100000E-04    0.882164E+00
  99    0.412093E-05    0.378702E+02 -0.108817E-06 0.100000E-04    0.961481E+00
 100   -0.606636E-06    0.362247E+02  0.167465E-07 0.100000E-04    0.363879E+00
 101   -0.578461E-05    0.322923E+02  0.179133E-06 0.100000E-04    0.988633E+00
 102    0.119761E-04    0.288835E+02 -0.414634E-06 0.100000E-04    0.897739E+00
 103   -0.349190E-05    0.284500E+02  0.122738E-06 0.100000E-04    0.873764E+00
 104   -0.157077E-04    0.262871E+02  0.597546E-06 0.100000E-04    0.918163E+00
 105   -0.940070E-06    0.233344E+02  0.402869E-07 0.109000E-04    0.791900E-02
 106    0.390339E-05    0.213146E+02 -0.183133E-06 0.100000E-04    0.943640E+00
 107    0.165142E-04    0.198596E+02 -0.831548E-06 0.100000E-04    0.939714E+00
 108    0.110351E-04    0.164641E+02 -0.670252E-06 0.100000E-04    0.996636E+00
 109    0.150965E-04    0.139046E+02 -0.108572E-05 0.100000E-04    0.925020E+00
 110    0.172608E-02    0.122415E+02 -0.665860E-04 0.665860E-04    0.997282E-02
 111    0.718339E-05    0.100933E+02 -0.711698E-06 0.100000E-04    0.833790E+00
 112    0.346331E-01    0.898052E+01 -0.100000E-04 0.100000E-04    0.568064E+00
 113    0.902201E-01    0.573947E+01 -0.109000E-04 0.109000E-04    0.108850E+00
 114    0.912861E+00    0.318628E+01  0.167710E-04 0.167710E-04    0.523459E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.6658600433E-04    0.2661958763    

 Beginning of optimization cycle  552.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2998606762
 potential> RMS force:                                               0.0859791860   |gradient|=.9180064974    
 Eigenvalues of the Hessian matrix:
   746.45986    674.12726    630.52917    600.84895    586.40164    578.87373 
   565.11990    487.46399    460.68366    459.80566    441.69580    429.31173 
   421.94114    408.03425    396.36855    387.54883    370.00096    360.55839 
   349.38583    335.26732    329.25345    321.84339    319.09321    309.46151 
   300.85241    290.59300    278.91459    272.70961    268.52394    264.93564 
   263.79606    253.24818    241.55866    240.75118    233.96996    227.50560 
   217.09706    214.88435    213.27369    207.64867    203.02071    195.47928 
   194.82377    191.33892    182.92322    174.31756    172.32389    168.20208 
   163.24168    156.88706    154.88565    152.26441    146.69878    143.36888 
   138.06455    135.87307    130.30545    128.82777    126.88633    124.13393 
   120.00148    118.16098    116.86129    110.35071    106.83774    104.43860 
   102.85065     99.51792     96.09955     94.11499     91.99315     91.21840 
    88.44679     85.59234     80.83027     80.46634     77.96699     73.29564 
    72.58604     67.93186     64.77813     61.37667     59.84890     59.39448 
    58.14003     55.88374     52.45203     52.04881     50.20894     46.18374 
    43.31279     40.90911     37.87004     36.22475     32.29100     28.88391 
    28.44986     26.28644     23.33602     21.31436     19.85981     16.46283 
    13.90504     12.24193     10.09366      8.98207      5.73882      3.18570 
overlap for current and previous eigenvector    109 is         0.9999999269
overlap for current and previous eigenvector    110 is        -0.9999997028
overlap for current and previous eigenvector    111 is        -0.9999997557
overlap for current and previous eigenvector    112 is        -0.9999999621
overlap for current and previous eigenvector    113 is        -0.9999999796
overlap for current and previous eigenvector    114 is        -0.9999999975
J1,K1,R1,R2,RAT=   7   7   -0.8667975620E-01     2.086679142        0.9133202438    
FOB,PFOB,DIAG,PSTEP=   -0.9075554298E-06   -0.8351636279E-06     746.4598640        0.1118832940E-08
J1,K1,R1,R2,RAT=   8   8   -0.9296129225E-01     2.092971962        0.9070387078    
FOB,PFOB,DIAG,PSTEP=   -0.2594221385E-06   -0.2373572221E-06     674.1272555        0.3520936945E-09
J1,K1,R1,R2,RAT=   9   9   -0.1859640290         2.185973398        0.8140359710    
FOB,PFOB,DIAG,PSTEP=    0.2464211583E-06    0.2077814615E-06     630.5291730       -0.3295335047E-09
J1,K1,R1,R2,RAT=  10  10   -0.6846716026E-01     2.068465211        0.9315328397    
FOB,PFOB,DIAG,PSTEP=    0.4630946751E-06    0.4334196346E-06     600.8489484       -0.7213461190E-09
J1,K1,R1,R2,RAT=  11  11   -0.1074644057         2.107472513        0.8925355943    
FOB,PFOB,DIAG,PSTEP=   -0.4165244676E-06   -0.3761065632E-06     586.4016430        0.6413778731E-09
J1,K1,R1,R2,RAT= 109 109   -0.8487957860E-01     2.084816870        0.9151204214    
FOB,PFOB,DIAG,PSTEP=    0.1637790496E-04    0.1509648177E-04     13.90503654       -0.1085718479E-05
J1,K1,R1,R2,RAT= 110 110     3.244864030        0.9901880621        0.9811937857E-02
FOB,PFOB,DIAG,PSTEP=   -0.9189393503E-03    0.1726082183E-02     12.24192612       -0.6658600433E-04
J1,K1,R1,R2,RAT= 111 111     2.148251523       -0.1483205461        0.8516794539    
FOB,PFOB,DIAG,PSTEP=   -0.8248872654E-05    0.7183391354E-05     10.09366374       -0.7116978987E-06
J1,K1,R1,R2,RAT= 112 112     770.7612774        0.3985098144        0.6014901856    
FOB,PFOB,DIAG,PSTEP=   -0.3459725832E-01    0.3463305275E-01     8.982069169       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     2883.670503        0.9231193617        0.7688063828E-01
FOB,PFOB,DIAG,PSTEP=   -0.9016239395E-01    0.9022013793E-01     5.738816593       -0.1090000000E-04
J1,K1,R1,R2,RAT= 114 114    -34172.98621        0.9526549753        0.4734502469E-01
FOB,PFOB,DIAG,PSTEP=   -0.9129122934        0.9128613955         3.185701098        0.1677100111E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00001      0.00000      0.00000      0.00001     -0.00001 
     0.00000      0.00002      0.00000     -0.00000     -0.00002     -0.00001 
     0.00002     -0.00092     -0.00001     -0.03460     -0.09016     -0.91291 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3836397725
 Log product of positive Hessian eigenvalues =          519.0680999860
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1857010978
 Unscaled step for mode    7=        0.0000000012
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000004
 Unscaled step for mode   10=       -0.0000000008
 Unscaled step for mode   11=        0.0000000007
 Unscaled step for mode   12=        0.0000000014
 Unscaled step for mode   13=        0.0000000004
 Unscaled step for mode   14=       -0.0000000037
 Unscaled step for mode   15=       -0.0000000010
 Unscaled step for mode   16=       -0.0000000003
 Unscaled step for mode   17=        0.0000000005
 Unscaled step for mode   18=       -0.0000000005
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000021
 Unscaled step for mode   21=       -0.0000000011
 Unscaled step for mode   22=        0.0000000005
 Unscaled step for mode   23=       -0.0000000010
 Unscaled step for mode   24=       -0.0000000013
 Unscaled step for mode   25=        0.0000000025
 Unscaled step for mode   26=        0.0000000030
 Unscaled step for mode   27=       -0.0000000024
 Unscaled step for mode   28=       -0.0000000025
 Unscaled step for mode   29=       -0.0000000065
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000023
 Unscaled step for mode   32=        0.0000000084
 Unscaled step for mode   33=       -0.0000000051
 Unscaled step for mode   34=        0.0000000053
 Unscaled step for mode   35=        0.0000000014
 Unscaled step for mode   36=       -0.0000000153
 Unscaled step for mode   37=       -0.0000000008
 Unscaled step for mode   38=       -0.0000000046
 Unscaled step for mode   39=        0.0000000070
 Unscaled step for mode   40=        0.0000000116
 Unscaled step for mode   41=        0.0000000079
 Unscaled step for mode   42=        0.0000000051
 Unscaled step for mode   43=       -0.0000000017
 Unscaled step for mode   44=        0.0000000103
 Unscaled step for mode   45=       -0.0000000021
 Unscaled step for mode   46=       -0.0000000137
 Unscaled step for mode   47=        0.0000000110
 Unscaled step for mode   48=       -0.0000000153
 Unscaled step for mode   49=       -0.0000000098
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=        0.0000000012
 Unscaled step for mode   52=        0.0000000024
 Unscaled step for mode   53=       -0.0000000127
 Unscaled step for mode   54=        0.0000000078
 Unscaled step for mode   55=       -0.0000000155
 Unscaled step for mode   56=       -0.0000000105
 Unscaled step for mode   57=       -0.0000000002
 Unscaled step for mode   58=       -0.0000000158
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000107
 Unscaled step for mode   61=       -0.0000000084
 Unscaled step for mode   62=       -0.0000000044
 Unscaled step for mode   63=        0.0000000041
 Unscaled step for mode   64=        0.0000000130
 Unscaled step for mode   65=        0.0000000014
 Unscaled step for mode   66=        0.0000000076
 Unscaled step for mode   67=       -0.0000000158
 Unscaled step for mode   68=       -0.0000000097
 Unscaled step for mode   69=        0.0000000017
 Unscaled step for mode   70=       -0.0000000166
 Unscaled step for mode   71=        0.0000000006
 Unscaled step for mode   72=       -0.0000000182
 Unscaled step for mode   73=        0.0000000060
 Unscaled step for mode   74=        0.0000000442
 Unscaled step for mode   75=       -0.0000000097
 Unscaled step for mode   76=       -0.0000000043
 Unscaled step for mode   77=        0.0000000823
 Unscaled step for mode   78=       -0.0000000135
 Unscaled step for mode   79=        0.0000000166
 Unscaled step for mode   80=        0.0000000098
 Unscaled step for mode   81=        0.0000000016
 Unscaled step for mode   82=       -0.0000000001
 Unscaled step for mode   83=        0.0000000338
 Unscaled step for mode   84=       -0.0000000313
 Unscaled step for mode   85=        0.0000000921
 Unscaled step for mode   86=       -0.0000000534
 Unscaled step for mode   87=       -0.0000000023
 Unscaled step for mode   88=        0.0000001522
 Unscaled step for mode   89=        0.0000000858
 Unscaled step for mode   90=       -0.0000001439
 Unscaled step for mode   91=        0.0000000493
 Unscaled step for mode   92=        0.0000000297
 Unscaled step for mode   93=        0.0000000423
 Unscaled step for mode   94=       -0.0000000214
 Unscaled step for mode   95=        0.0000001288
 Unscaled step for mode   96=       -0.0000000530
 Unscaled step for mode   97=       -0.0000000461
 Unscaled step for mode   98=       -0.0000001278
 Unscaled step for mode   99=       -0.0000001177
 Unscaled step for mode  100=       -0.0000000216
 Unscaled step for mode  101=       -0.0000001918
 Unscaled step for mode  102=        0.0000004526
 Unscaled step for mode  103=       -0.0000001364
 Unscaled step for mode  104=       -0.0000006410
 Unscaled step for mode  105=       -0.0000000532
 Unscaled step for mode  106=        0.0000001754
 Unscaled step for mode  107=        0.0000009244
 Unscaled step for mode  108=        0.0000007147
 Unscaled step for mode  109=       -0.0000011778
 Unscaled step for mode  110=        0.0000750649
 Unscaled step for mode  111=        0.0000008172
 Unscaled step for mode  112=        0.0038517567
 Unscaled step for mode  113=        0.0157070971
 Unscaled step for mode  114=       -0.2662510566
 Largest modulus ratio of non-zero e/values=           234.3157255    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.487457E-15    0.101909E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.144687E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.370960E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.404780E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.493312E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.322696E-14    0.974284E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.907555E-06    0.746460E+03  0.121581E-08 0.100000E-04    0.913320E+00
   8   -0.259422E-06    0.674127E+03  0.384827E-09 0.100000E-04    0.907039E+00
   9    0.246421E-06    0.630529E+03 -0.390816E-09 0.100000E-04    0.814036E+00
  10    0.463095E-06    0.600849E+03 -0.770734E-09 0.100000E-04    0.931533E+00
  11   -0.416524E-06    0.586402E+03  0.710306E-09 0.100000E-04    0.892536E+00
  12   -0.798650E-06    0.578874E+03  0.137966E-08 0.100000E-04    0.939050E+00
  13   -0.238978E-06    0.565120E+03  0.422879E-09 0.100000E-04    0.822742E+00
  14    0.182097E-05    0.487464E+03 -0.373560E-08 0.100000E-04    0.907404E+00
  15    0.450802E-06    0.460684E+03 -0.978551E-09 0.100000E-04    0.861536E+00
  16    0.137151E-06    0.459806E+03 -0.298280E-09 0.100000E-04    0.891997E+00
  17   -0.234340E-06    0.441696E+03  0.530546E-09 0.100000E-04    0.941353E+00
  18    0.194865E-06    0.429312E+03 -0.453902E-09 0.100000E-04    0.773812E+00
  19   -0.144647E-06    0.421941E+03  0.342814E-09 0.100000E-04    0.886007E+00
  20   -0.860403E-06    0.408034E+03  0.210865E-08 0.100000E-04    0.929844E+00
  21    0.442486E-06    0.396369E+03 -0.111635E-08 0.100000E-04    0.893471E+00
  22   -0.182840E-06    0.387549E+03  0.471785E-09 0.100000E-04    0.974220E+00
  23    0.379836E-06    0.370001E+03 -0.102658E-08 0.100000E-04    0.958215E+00
  24    0.481983E-06    0.360558E+03 -0.133677E-08 0.100000E-04    0.873015E+00
  25   -0.890788E-06    0.349386E+03  0.254958E-08 0.100000E-04    0.889732E+00
  26   -0.997089E-06    0.335267E+03  0.297401E-08 0.100000E-04    0.905823E+00
  27    0.790313E-06    0.329253E+03 -0.240032E-08 0.100000E-04    0.947775E+00
  28    0.814321E-06    0.321843E+03 -0.253018E-08 0.100000E-04    0.896317E+00
  29    0.206124E-05    0.319093E+03 -0.645968E-08 0.100000E-04    0.911855E+00
  30   -0.140201E-05    0.309462E+03  0.453048E-08 0.100000E-04    0.914904E+00
  31   -0.677566E-06    0.300852E+03  0.225215E-08 0.100000E-04    0.883747E+00
  32   -0.244122E-05    0.290593E+03  0.840082E-08 0.100000E-04    0.925271E+00
  33    0.143231E-05    0.278915E+03 -0.513530E-08 0.100000E-04    0.925275E+00
  34   -0.143787E-05    0.272710E+03  0.527252E-08 0.100000E-04    0.922487E+00
  35   -0.368887E-06    0.268524E+03  0.137376E-08 0.100000E-04    0.879525E+00
  36    0.405118E-05    0.264936E+03 -0.152912E-07 0.100000E-04    0.914635E+00
  37    0.204791E-06    0.263796E+03 -0.776323E-09 0.100000E-04    0.864974E+00
  38    0.117757E-05    0.253248E+03 -0.464986E-08 0.100000E-04    0.909010E+00
  39   -0.169860E-05    0.241559E+03  0.703181E-08 0.100000E-04    0.902209E+00
  40   -0.278827E-05    0.240751E+03  0.115816E-07 0.100000E-04    0.925476E+00
  41   -0.184338E-05    0.233970E+03  0.787869E-08 0.100000E-04    0.914351E+00
  42   -0.114961E-05    0.227506E+03  0.505312E-08 0.100000E-04    0.928536E+00
  43    0.365859E-06    0.217097E+03 -0.168523E-08 0.100000E-04    0.983036E+00
  44   -0.221922E-05    0.214884E+03  0.103275E-07 0.100000E-04    0.917098E+00
  45    0.448636E-06    0.213274E+03 -0.210357E-08 0.100000E-04    0.949411E+00
  46    0.284100E-05    0.207649E+03 -0.136817E-07 0.100000E-04    0.912790E+00
  47   -0.222993E-05    0.203021E+03  0.109838E-07 0.100000E-04    0.912349E+00
  48    0.299264E-05    0.195479E+03 -0.153092E-07 0.100000E-04    0.903971E+00
  49    0.190843E-05    0.194824E+03 -0.979565E-08 0.100000E-04    0.896436E+00
  50    0.130577E-05    0.191339E+03 -0.682438E-08 0.100000E-04    0.876612E+00
  51   -0.218796E-06    0.182923E+03  0.119611E-08 0.100000E-04    0.723060E+00
  52   -0.418351E-06    0.174318E+03  0.239994E-08 0.100000E-04    0.840993E+00
  53    0.219250E-05    0.172324E+03 -0.127231E-07 0.100000E-04    0.907181E+00
  54   -0.131085E-05    0.168202E+03  0.779330E-08 0.100000E-04    0.878786E+00
  55    0.253106E-05    0.163242E+03 -0.155050E-07 0.100000E-04    0.915897E+00
  56    0.165118E-05    0.156887E+03 -0.105246E-07 0.100000E-04    0.953829E+00
  57    0.340282E-07    0.154886E+03 -0.219699E-09 0.100000E-04    0.141212E+01
  58    0.240355E-05    0.152264E+03 -0.157853E-07 0.100000E-04    0.913340E+00
  59   -0.604247E-06    0.146699E+03  0.411897E-08 0.100000E-04    0.849972E+00
  60    0.153949E-05    0.143369E+03 -0.107380E-07 0.100000E-04    0.890244E+00
  61    0.115595E-05    0.138065E+03 -0.837252E-08 0.100000E-04    0.906245E+00
  62    0.591776E-06    0.135873E+03 -0.435536E-08 0.100000E-04    0.877099E+00
  63   -0.539857E-06    0.130305E+03  0.414301E-08 0.100000E-04    0.904068E+00
  64   -0.167618E-05    0.128828E+03  0.130110E-07 0.100000E-04    0.912184E+00
  65   -0.176690E-06    0.126886E+03  0.139251E-08 0.100000E-04    0.995391E+00
  66   -0.941435E-06    0.124134E+03  0.758403E-08 0.100000E-04    0.891728E+00
  67    0.189458E-05    0.120001E+03 -0.157880E-07 0.100000E-04    0.930222E+00
  68    0.114323E-05    0.118161E+03 -0.967522E-08 0.100000E-04    0.887510E+00
  69   -0.203947E-06    0.116861E+03  0.174521E-08 0.100000E-04    0.937877E+00
  70    0.182921E-05    0.110351E+03 -0.165763E-07 0.100000E-04    0.891024E+00
  71   -0.658825E-07    0.106838E+03  0.616659E-09 0.100000E-04    0.802895E+00
  72    0.190360E-05    0.104439E+03 -0.182270E-07 0.100000E-04    0.928100E+00
  73   -0.620506E-06    0.102851E+03  0.603308E-08 0.100000E-04    0.877756E+00
  74   -0.439998E-05    0.995179E+02  0.442130E-07 0.100000E-04    0.910264E+00
  75    0.931378E-06    0.960995E+02 -0.969180E-08 0.100000E-04    0.903521E+00
  76    0.407035E-06    0.941150E+02 -0.432487E-08 0.100000E-04    0.807170E+00
  77   -0.756823E-05    0.919932E+02  0.822695E-07 0.100000E-04    0.913965E+00
  78    0.123302E-05    0.912184E+02 -0.135172E-07 0.100000E-04    0.798651E+00
  79   -0.146966E-05    0.884468E+02  0.166163E-07 0.100000E-04    0.888477E+00
  80   -0.835183E-06    0.855923E+02  0.975769E-08 0.100000E-04    0.948041E+00
  81   -0.127166E-06    0.808303E+02  0.157324E-08 0.100000E-04    0.943753E+00
  82    0.112946E-07    0.804663E+02 -0.140365E-09 0.100000E-04    0.743032E+00
  83   -0.263503E-05    0.779670E+02  0.337967E-07 0.100000E-04    0.949940E+00
  84    0.229189E-05    0.732956E+02 -0.312691E-07 0.100000E-04    0.922322E+00
  85   -0.668548E-05    0.725860E+02  0.921042E-07 0.100000E-04    0.907523E+00
  86    0.362999E-05    0.679319E+02 -0.534358E-07 0.100000E-04    0.903915E+00
  87    0.148561E-06    0.647781E+02 -0.229338E-08 0.100000E-04    0.850515E+00
  88   -0.933877E-05    0.613767E+02  0.152155E-06 0.100000E-04    0.923970E+00
  89   -0.513770E-05    0.598489E+02  0.858445E-07 0.100000E-04    0.917446E+00
  90    0.854711E-05    0.593945E+02 -0.143904E-06 0.100000E-04    0.906047E+00
  91   -0.286496E-05    0.581400E+02  0.492770E-07 0.100000E-04    0.870620E+00
  92   -0.166022E-05    0.558837E+02  0.297085E-07 0.100000E-04    0.950585E+00
  93   -0.221874E-05    0.524520E+02  0.423003E-07 0.100000E-04    0.948062E+00
  94    0.111220E-05    0.520488E+02 -0.213683E-07 0.100000E-04    0.912035E+00
  95   -0.646760E-05    0.502089E+02  0.128814E-06 0.100000E-04    0.903642E+00
  96    0.244763E-05    0.461837E+02 -0.529977E-07 0.100000E-04    0.923703E+00
  97    0.199826E-05    0.433128E+02 -0.461355E-07 0.100000E-04    0.928105E+00
  98    0.522847E-05    0.409091E+02 -0.127807E-06 0.100000E-04    0.904432E+00
  99    0.445902E-05    0.378700E+02 -0.117745E-06 0.100000E-04    0.917958E+00
 100    0.783784E-06    0.362247E+02 -0.216367E-07 0.100000E-04    0.707982E+00
 101    0.619312E-05    0.322910E+02 -0.191791E-06 0.100000E-04    0.929377E+00
 102   -0.130724E-04    0.288839E+02  0.452583E-06 0.100000E-04    0.908460E+00
 103    0.387934E-05    0.284499E+02 -0.136357E-06 0.100000E-04    0.889046E+00
 104    0.168492E-04    0.262864E+02 -0.640985E-06 0.100000E-04    0.927329E+00
 105    0.124040E-05    0.233360E+02 -0.531539E-07 0.100000E-04    0.680545E+00
 106   -0.373845E-05    0.213144E+02  0.175396E-06 0.100000E-04    0.957744E+00
 107   -0.183591E-04    0.198598E+02  0.924436E-06 0.100000E-04    0.888285E+00
 108   -0.117654E-04    0.164628E+02  0.714665E-06 0.100000E-04    0.933812E+00
 109    0.163779E-04    0.139050E+02 -0.117784E-05 0.100000E-04    0.915120E+00
 110   -0.918939E-03    0.122419E+02  0.725787E-04 0.725787E-04    0.981194E-02
 111   -0.824887E-05    0.100937E+02  0.817233E-06 0.100000E-04    0.851679E+00
 112   -0.345973E-01    0.898207E+01  0.100000E-04 0.100000E-04    0.601490E+00
 113   -0.901624E-01    0.573882E+01  0.118810E-04 0.118810E-04    0.768806E-01
 114   -0.912912E+00    0.318570E+01 -0.182804E-04 0.182804E-04    0.473450E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.7257874472E-04    0.2662510566    

 Beginning of optimization cycle  553.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2998454381
 potential> RMS force:                                               0.0859836224   |gradient|=.9180538648    
 Eigenvalues of the Hessian matrix:
   746.46009    674.12329    630.52585    600.84973    586.39902    578.87163 
   565.11988    487.46811    460.68159    459.80325    441.69673    429.31620 
   421.93770    408.03178    396.36711    387.54593    370.00313    360.55984 
   349.38582    335.26414    329.25509    321.84172    319.09449    309.45599 
   300.85161    290.59653    278.91734    272.71067    268.52555    264.93588 
   263.80030    253.24971    241.56142    240.74935    233.97148    227.50426 
   217.09809    214.88420    213.27584    207.64961    203.02145    195.47774 
   194.82271    191.33751    182.92201    174.31864    172.32495    168.20117 
   163.24026    156.88709    154.88432    152.26437    146.69865    143.36826 
   138.06489    135.87323    130.30501    128.82827    126.88718    124.13349 
   120.00187    118.16021    116.86020    110.35035    106.83570    104.44043 
   102.85173     99.51616     96.10013     94.11479     91.99233     91.21954 
    88.44695     85.59268     80.83085     80.46557     77.96821     73.29524 
    72.58575     67.93239     64.77846     61.37609     59.84898     59.39466 
    58.13944     55.88566     52.45132     52.04938     50.21003     46.18113 
    43.31086     40.91001     37.86982     36.22473     32.28958     28.88439 
    28.44973     26.28573     23.33782     21.31412     19.86000     16.46145 
    13.90551     12.24236     10.09405      8.98371      5.73808      3.18507 
overlap for current and previous eigenvector    109 is         0.9999999131
overlap for current and previous eigenvector    110 is         0.9999996462
overlap for current and previous eigenvector    111 is         0.9999997096
overlap for current and previous eigenvector    112 is         0.9999999573
overlap for current and previous eigenvector    113 is         0.9999999781
overlap for current and previous eigenvector    114 is         0.9999999971
J1,K1,R1,R2,RAT=   7   7   -0.8585225777E-01     2.085851651        0.9141477422    
FOB,PFOB,DIAG,PSTEP=   -0.9854711361E-06   -0.9075554298E-06     746.4600906        0.1215812763E-08
J1,K1,R1,R2,RAT=   8   8   -0.9228786991E-01     2.092299645        0.9077121301    
FOB,PFOB,DIAG,PSTEP=   -0.2833635142E-06   -0.2594221385E-06     674.1232867        0.3848266576E-09
J1,K1,R1,R2,RAT=   9   9   -0.1734735260         2.173484067        0.8265264740    
FOB,PFOB,DIAG,PSTEP=    0.2891684802E-06    0.2464211583E-06     630.5258497       -0.3908164266E-09
J1,K1,R1,R2,RAT=  10  10   -0.7247413185E-01     2.072471537        0.9275258681    
FOB,PFOB,DIAG,PSTEP=    0.4966571032E-06    0.4630946751E-06     600.8497280       -0.7707339363E-09
J1,K1,R1,R2,RAT=  11  11   -0.1051189833         2.105127914        0.8948810167    
FOB,PFOB,DIAG,PSTEP=   -0.4603089007E-06   -0.4165244676E-06     586.3990245        0.7103057650E-09
J1,K1,R1,R2,RAT= 109 109   -0.8638001825E-01     2.086312247        0.9136199818    
FOB,PFOB,DIAG,PSTEP=    0.1779267663E-04    0.1637790496E-04     13.90550774       -0.1177839764E-05
J1,K1,R1,R2,RAT= 110 110    0.9903222363         1.078114119        0.9677763662E-02
FOB,PFOB,DIAG,PSTEP=   -0.3900309311E-04   -0.9189393503E-03     12.24236235        0.7257874472E-04
J1,K1,R1,R2,RAT= 111 111   -0.1624519430         2.162375578        0.8375480570    
FOB,PFOB,DIAG,PSTEP=   -0.9588969212E-05   -0.8248872654E-05     10.09404915        0.8172327581E-06
J1,K1,R1,R2,RAT= 112 112    0.3621622340         769.8601350        0.6378377660    
FOB,PFOB,DIAG,PSTEP=   -0.3456472272E-01   -0.3459725832E-01     8.983707287        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    0.9427090036         2644.118739        0.5729099643E-01
FOB,PFOB,DIAG,PSTEP=   -0.9009812557E-01   -0.9016239395E-01     5.738080919        0.1188100000E-04
J1,K1,R1,R2,RAT= 114 114    0.9561343751        -31359.41711        0.4386562490E-01
FOB,PFOB,DIAG,PSTEP=   -0.9129679636       -0.9129122934         3.185068855       -0.1828039121E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00001      0.00000      0.00000     -0.00001     -0.00001      0.00001 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00001      0.00000      0.00000      0.00001     -0.00001 
     0.00000      0.00002      0.00000     -0.00000     -0.00002     -0.00001 
     0.00002     -0.00004     -0.00001     -0.03456     -0.09010     -0.91297 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3835589957
 Log product of positive Hessian eigenvalues =          519.0679523795
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1850688550
 Unscaled step for mode    7=        0.0000000013
 Unscaled step for mode    8=        0.0000000004
 Unscaled step for mode    9=       -0.0000000005
 Unscaled step for mode   10=       -0.0000000008
 Unscaled step for mode   11=        0.0000000008
 Unscaled step for mode   12=        0.0000000015
 Unscaled step for mode   13=        0.0000000005
 Unscaled step for mode   14=       -0.0000000041
 Unscaled step for mode   15=       -0.0000000011
 Unscaled step for mode   16=       -0.0000000003
 Unscaled step for mode   17=        0.0000000006
 Unscaled step for mode   18=       -0.0000000005
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000023
 Unscaled step for mode   21=       -0.0000000012
 Unscaled step for mode   22=        0.0000000005
 Unscaled step for mode   23=       -0.0000000011
 Unscaled step for mode   24=       -0.0000000015
 Unscaled step for mode   25=        0.0000000028
 Unscaled step for mode   26=        0.0000000032
 Unscaled step for mode   27=       -0.0000000025
 Unscaled step for mode   28=       -0.0000000028
 Unscaled step for mode   29=       -0.0000000070
 Unscaled step for mode   30=        0.0000000049
 Unscaled step for mode   31=        0.0000000025
 Unscaled step for mode   32=        0.0000000091
 Unscaled step for mode   33=       -0.0000000055
 Unscaled step for mode   34=        0.0000000057
 Unscaled step for mode   35=        0.0000000015
 Unscaled step for mode   36=       -0.0000000166
 Unscaled step for mode   37=       -0.0000000009
 Unscaled step for mode   38=       -0.0000000051
 Unscaled step for mode   39=        0.0000000077
 Unscaled step for mode   40=        0.0000000125
 Unscaled step for mode   41=        0.0000000085
 Unscaled step for mode   42=        0.0000000055
 Unscaled step for mode   43=       -0.0000000017
 Unscaled step for mode   44=        0.0000000112
 Unscaled step for mode   45=       -0.0000000022
 Unscaled step for mode   46=       -0.0000000149
 Unscaled step for mode   47=        0.0000000119
 Unscaled step for mode   48=       -0.0000000168
 Unscaled step for mode   49=       -0.0000000108
 Unscaled step for mode   50=       -0.0000000077
 Unscaled step for mode   51=        0.0000000015
 Unscaled step for mode   52=        0.0000000027
 Unscaled step for mode   53=       -0.0000000139
 Unscaled step for mode   54=        0.0000000087
 Unscaled step for mode   55=       -0.0000000168
 Unscaled step for mode   56=       -0.0000000110
 Unscaled step for mode   57=       -0.0000000004
 Unscaled step for mode   58=       -0.0000000172
 Unscaled step for mode   59=        0.0000000047
 Unscaled step for mode   60=       -0.0000000119
 Unscaled step for mode   61=       -0.0000000092
 Unscaled step for mode   62=       -0.0000000049
 Unscaled step for mode   63=        0.0000000046
 Unscaled step for mode   64=        0.0000000141
 Unscaled step for mode   65=        0.0000000014
 Unscaled step for mode   66=        0.0000000084
 Unscaled step for mode   67=       -0.0000000169
 Unscaled step for mode   68=       -0.0000000108
 Unscaled step for mode   69=        0.0000000019
 Unscaled step for mode   70=       -0.0000000184
 Unscaled step for mode   71=        0.0000000004
 Unscaled step for mode   72=       -0.0000000195
 Unscaled step for mode   73=        0.0000000068
 Unscaled step for mode   74=        0.0000000482
 Unscaled step for mode   75=       -0.0000000106
 Unscaled step for mode   76=       -0.0000000051
 Unscaled step for mode   77=        0.0000000895
 Unscaled step for mode   78=       -0.0000000160
 Unscaled step for mode   79=        0.0000000184
 Unscaled step for mode   80=        0.0000000103
 Unscaled step for mode   81=        0.0000000015
 Unscaled step for mode   82=       -0.0000000001
 Unscaled step for mode   83=        0.0000000356
 Unscaled step for mode   84=       -0.0000000337
 Unscaled step for mode   85=        0.0000001006
 Unscaled step for mode   86=       -0.0000000586
 Unscaled step for mode   87=       -0.0000000025
 Unscaled step for mode   88=        0.0000001640
 Unscaled step for mode   89=        0.0000000929
 Unscaled step for mode   90=       -0.0000001574
 Unscaled step for mode   91=        0.0000000551
 Unscaled step for mode   92=        0.0000000309
 Unscaled step for mode   93=        0.0000000448
 Unscaled step for mode   94=       -0.0000000234
 Unscaled step for mode   95=        0.0000001411
 Unscaled step for mode   96=       -0.0000000574
 Unscaled step for mode   97=       -0.0000000494
 Unscaled step for mode   98=       -0.0000001404
 Unscaled step for mode   99=       -0.0000001275
 Unscaled step for mode  100=       -0.0000000269
 Unscaled step for mode  101=       -0.0000002074
 Unscaled step for mode  102=        0.0000004939
 Unscaled step for mode  103=       -0.0000001517
 Unscaled step for mode  104=       -0.0000006868
 Unscaled step for mode  105=       -0.0000000660
 Unscaled step for mode  106=        0.0000001662
 Unscaled step for mode  107=        0.0000010321
 Unscaled step for mode  108=        0.0000007676
 Unscaled step for mode  109=       -0.0000012795
 Unscaled step for mode  110=        0.0000031859
 Unscaled step for mode  111=        0.0000009500
 Unscaled step for mode  112=        0.0038474329
 Unscaled step for mode  113=        0.0156979179
 Unscaled step for mode  114=       -0.2663109972
 Largest modulus ratio of non-zero e/values=           234.3623088    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.145879E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.121745E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.569044E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.743112E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.137686E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.401926E-14    0.974285E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.985471E-06    0.746460E+03  0.132019E-08 0.100000E-04    0.914148E+00
   8   -0.283364E-06    0.674123E+03  0.420344E-09 0.100000E-04    0.907712E+00
   9    0.289168E-06    0.630526E+03 -0.458615E-09 0.100000E-04    0.826526E+00
  10    0.496657E-06    0.600850E+03 -0.826591E-09 0.100000E-04    0.927526E+00
  11   -0.460309E-06    0.586399E+03  0.784976E-09 0.100000E-04    0.894881E+00
  12   -0.847488E-06    0.578872E+03  0.146403E-08 0.100000E-04    0.938850E+00
  13   -0.278864E-06    0.565120E+03  0.493461E-09 0.100000E-04    0.833094E+00
  14    0.199043E-05    0.487468E+03 -0.408320E-08 0.100000E-04    0.906941E+00
  15    0.510045E-06    0.460682E+03 -0.110715E-08 0.100000E-04    0.868584E+00
  16    0.152232E-06    0.459803E+03 -0.331081E-09 0.100000E-04    0.890038E+00
  17   -0.248030E-06    0.441697E+03  0.561538E-09 0.100000E-04    0.941581E+00
  18    0.234190E-06    0.429316E+03 -0.545495E-09 0.100000E-04    0.798199E+00
  19   -0.161227E-06    0.421938E+03  0.382112E-09 0.100000E-04    0.885375E+00
  20   -0.921973E-06    0.408032E+03  0.225956E-08 0.100000E-04    0.928440E+00
  21    0.488673E-06    0.396367E+03 -0.123288E-08 0.100000E-04    0.895619E+00
  22   -0.178045E-06    0.387546E+03  0.459416E-09 0.100000E-04    0.973775E+00
  23    0.394597E-06    0.370003E+03 -0.106647E-08 0.100000E-04    0.961138E+00
  24    0.542859E-06    0.360560E+03 -0.150560E-08 0.100000E-04    0.873696E+00
  25   -0.988256E-06    0.349386E+03  0.282855E-08 0.100000E-04    0.890582E+00
  26   -0.108736E-05    0.335264E+03  0.324329E-08 0.100000E-04    0.909466E+00
  27    0.835106E-06    0.329255E+03 -0.253635E-08 0.100000E-04    0.943323E+00
  28    0.896172E-06    0.321842E+03 -0.278451E-08 0.100000E-04    0.899485E+00
  29    0.223774E-05    0.319094E+03 -0.701278E-08 0.100000E-04    0.914374E+00
  30   -0.152888E-05    0.309456E+03  0.494053E-08 0.100000E-04    0.909508E+00
  31   -0.755822E-06    0.300852E+03  0.251227E-08 0.100000E-04    0.884504E+00
  32   -0.263015E-05    0.290597E+03  0.905086E-08 0.100000E-04    0.922610E+00
  33    0.153939E-05    0.278917E+03 -0.551917E-08 0.100000E-04    0.925239E+00
  34   -0.154743E-05    0.272711E+03  0.567425E-08 0.100000E-04    0.923803E+00
  35   -0.411341E-06    0.268526E+03  0.153185E-08 0.100000E-04    0.884915E+00
  36    0.440135E-05    0.264936E+03 -0.166129E-07 0.100000E-04    0.913564E+00
  37    0.229245E-06    0.263800E+03 -0.869011E-09 0.100000E-04    0.880590E+00
  38    0.128618E-05    0.253250E+03 -0.507870E-08 0.100000E-04    0.907768E+00
  39   -0.186398E-05    0.241561E+03  0.771637E-08 0.100000E-04    0.902638E+00
  40   -0.299814E-05    0.240749E+03  0.124533E-07 0.100000E-04    0.924733E+00
  41   -0.199885E-05    0.233971E+03  0.854311E-08 0.100000E-04    0.915662E+00
  42   -0.123998E-05    0.227504E+03  0.545034E-08 0.100000E-04    0.921397E+00
  43    0.370732E-06    0.217098E+03 -0.170767E-08 0.100000E-04    0.986679E+00
  44   -0.240492E-05    0.214884E+03  0.111917E-07 0.100000E-04    0.916324E+00
  45    0.473933E-06    0.213276E+03 -0.222216E-08 0.100000E-04    0.943614E+00
  46    0.308758E-05    0.207650E+03 -0.148692E-07 0.100000E-04    0.913207E+00
  47   -0.242498E-05    0.203021E+03  0.119445E-07 0.100000E-04    0.912532E+00
  48    0.327528E-05    0.195478E+03 -0.167552E-07 0.100000E-04    0.905554E+00
  49    0.210315E-05    0.194823E+03 -0.107952E-07 0.100000E-04    0.897966E+00
  50    0.146682E-05    0.191338E+03 -0.766615E-08 0.100000E-04    0.876660E+00
  51   -0.271027E-06    0.182922E+03  0.148165E-08 0.100000E-04    0.761277E+00
  52   -0.478573E-06    0.174319E+03  0.274539E-08 0.100000E-04    0.856052E+00
  53    0.239680E-05    0.172325E+03 -0.139086E-07 0.100000E-04    0.906817E+00
  54   -0.146738E-05    0.168201E+03  0.872398E-08 0.100000E-04    0.880586E+00
  55    0.274965E-05    0.163240E+03 -0.168442E-07 0.100000E-04    0.913635E+00
  56    0.173057E-05    0.156887E+03 -0.110306E-07 0.100000E-04    0.951921E+00
  57    0.624552E-07    0.154884E+03 -0.403238E-09 0.109000E-04    0.164600E+00
  58    0.261652E-05    0.152264E+03 -0.171841E-07 0.100000E-04    0.911390E+00
  59   -0.689136E-06    0.146699E+03  0.469763E-08 0.100000E-04    0.859514E+00
  60    0.170813E-05    0.143368E+03 -0.119143E-07 0.100000E-04    0.890456E+00
  61    0.126531E-05    0.138065E+03 -0.916463E-08 0.100000E-04    0.905389E+00
  62    0.661865E-06    0.135873E+03 -0.487119E-08 0.100000E-04    0.881562E+00
  63   -0.598944E-06    0.130305E+03  0.459647E-08 0.100000E-04    0.890551E+00
  64   -0.181913E-05    0.128828E+03  0.141206E-07 0.100000E-04    0.914714E+00
  65   -0.174806E-06    0.126887E+03  0.137765E-08 0.100000E-04    0.989324E+00
  66   -0.104297E-05    0.124133E+03  0.840199E-08 0.100000E-04    0.892150E+00
  67    0.203119E-05    0.120002E+03 -0.169263E-07 0.100000E-04    0.927898E+00
  68    0.127070E-05    0.118160E+03 -0.107540E-07 0.100000E-04    0.888503E+00
  69   -0.222009E-06    0.116860E+03  0.189978E-08 0.100000E-04    0.911439E+00
  70    0.202568E-05    0.110350E+03 -0.183568E-07 0.100000E-04    0.892593E+00
  71   -0.467896E-07    0.106836E+03  0.437958E-09 0.100000E-04    0.710192E+00
  72    0.203879E-05    0.104440E+03 -0.195211E-07 0.100000E-04    0.928984E+00
  73   -0.695493E-06    0.102852E+03  0.676209E-08 0.100000E-04    0.879153E+00
  74   -0.480152E-05    0.995162E+02  0.482486E-07 0.100000E-04    0.908741E+00
  75    0.101999E-05    0.961001E+02 -0.106138E-07 0.100000E-04    0.904864E+00
  76    0.481216E-06    0.941148E+02 -0.511307E-08 0.100000E-04    0.817752E+00
  77   -0.823008E-05    0.919923E+02  0.894649E-07 0.100000E-04    0.912547E+00
  78    0.145762E-05    0.912195E+02 -0.159793E-07 0.100000E-04    0.817846E+00
  79   -0.162755E-05    0.884469E+02  0.184014E-07 0.100000E-04    0.892567E+00
  80   -0.881616E-06    0.855927E+02  0.103001E-07 0.100000E-04    0.944404E+00
  81   -0.119797E-06    0.808308E+02  0.148207E-08 0.100000E-04    0.942039E+00
  82    0.847906E-08    0.804656E+02 -0.105375E-09 0.100000E-04    0.750713E+00
  83   -0.277368E-05    0.779682E+02  0.355744E-07 0.100000E-04    0.947383E+00
  84    0.247265E-05    0.732952E+02 -0.337355E-07 0.100000E-04    0.921130E+00
  85   -0.730431E-05    0.725858E+02  0.100630E-06 0.100000E-04    0.907437E+00
  86    0.397841E-05    0.679324E+02 -0.585643E-07 0.100000E-04    0.904016E+00
  87    0.162889E-06    0.647785E+02 -0.251455E-08 0.100000E-04    0.903557E+00
  88   -0.100650E-04    0.613761E+02  0.163989E-06 0.100000E-04    0.922231E+00
  89   -0.556172E-05    0.598490E+02  0.929292E-07 0.100000E-04    0.917470E+00
  90    0.934842E-05    0.593947E+02 -0.157395E-06 0.100000E-04    0.906249E+00
  91   -0.320096E-05    0.581394E+02  0.550567E-07 0.100000E-04    0.882720E+00
  92   -0.172854E-05    0.558857E+02  0.309299E-07 0.100000E-04    0.958850E+00
  93   -0.235058E-05    0.524513E+02  0.448144E-07 0.100000E-04    0.940579E+00
  94    0.121736E-05    0.520494E+02 -0.233885E-07 0.100000E-04    0.905447E+00
  95   -0.708383E-05    0.502100E+02  0.141084E-06 0.100000E-04    0.904722E+00
  96    0.265292E-05    0.461811E+02 -0.574459E-07 0.100000E-04    0.916124E+00
  97    0.213880E-05    0.433109E+02 -0.493825E-07 0.100000E-04    0.929665E+00
  98    0.574314E-05    0.409100E+02 -0.140385E-06 0.100000E-04    0.901567E+00
  99    0.482864E-05    0.378698E+02 -0.127506E-06 0.100000E-04    0.917106E+00
 100    0.974137E-06    0.362247E+02 -0.268915E-07 0.100000E-04    0.757137E+00
 101    0.669815E-05    0.322896E+02 -0.207440E-06 0.100000E-04    0.918450E+00
 102   -0.142647E-04    0.288844E+02  0.493854E-06 0.100000E-04    0.908794E+00
 103    0.431517E-05    0.284497E+02 -0.151677E-06 0.100000E-04    0.887655E+00
 104    0.180521E-04    0.262857E+02 -0.686763E-06 0.100000E-04    0.928608E+00
 105    0.154084E-05    0.233378E+02 -0.660235E-07 0.100000E-04    0.757804E+00
 106   -0.354282E-05    0.213141E+02  0.166219E-06 0.100000E-04    0.947670E+00
 107   -0.204984E-04    0.198600E+02  0.103215E-05 0.100000E-04    0.883475E+00
 108   -0.126364E-04    0.164614E+02  0.767637E-06 0.100000E-04    0.925963E+00
 109    0.177927E-04    0.139055E+02 -0.127954E-05 0.100000E-04    0.913620E+00
 110   -0.390031E-04    0.122424E+02  0.318591E-05 0.791108E-04    0.967776E-02
 111   -0.958897E-05    0.100940E+02  0.949963E-06 0.100000E-04    0.837548E+00
 112   -0.345647E-01    0.898371E+01  0.100000E-04 0.100000E-04    0.637838E+00
 113   -0.900981E-01    0.573808E+01  0.129503E-04 0.129503E-04    0.572910E-01
 114   -0.912968E+00    0.318507E+01 -0.199256E-04 0.199256E-04    0.438656E-01
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1992562642E-04    0.2663109972    

 Beginning of optimization cycle  554.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2998287576
 potential> RMS force:                                               0.0859885334   |gradient|=.9181063000    
 Eigenvalues of the Hessian matrix:
   746.46507    674.12257    630.52829    600.84717    586.39846    578.87240 
   565.11694    487.46902    460.67988    459.80234    441.69650    429.31694 
   421.93700    408.03037    396.36647    387.54438    370.00409    360.55985 
   349.38481    335.26444    329.25638    321.84174    319.09422    309.45453 
   300.85039    290.59708    278.91847    272.71132    268.52584    264.93621 
   263.80136    253.24895    241.56137    240.74989    233.97195    227.50397 
   217.09817    214.88438    213.27572    207.65013    203.02107    195.47667 
   194.82268    191.33781    182.92213    174.31924    172.32501    168.20134 
   163.23973    156.88662    154.88471    152.26437    146.69798    143.36805 
   138.06538    135.87318    130.30484    128.82849    126.88758    124.13257 
   120.00202    118.16036    116.85987    110.35047    106.83546    104.44076 
   102.85179     99.51605     96.10027     94.11470     91.99148     91.21977 
    88.44644     85.59292     80.83094     80.46603     77.96808     73.29529 
    72.58554     67.93231     64.77806     61.37535     59.84871     59.39484 
    58.13922     55.88569     52.45126     52.04920     50.21054     46.18055 
    43.31129     40.91029     37.86991     36.22471     32.28888     28.88469 
    28.44971     26.28570     23.33782     21.31446     19.85965     16.46121 
    13.90560     12.24241     10.09402      8.98489      5.73795      3.18467 
overlap for current and previous eigenvector    109 is         0.9999999929
overlap for current and previous eigenvector    110 is         0.9999999995
overlap for current and previous eigenvector    111 is         0.9999999879
overlap for current and previous eigenvector    112 is         0.9999999666
overlap for current and previous eigenvector    113 is         0.9999999605
overlap for current and previous eigenvector    114 is         0.9999999825
J1,K1,R1,R2,RAT=   7   7    0.5436415525         1.456345109        0.4563451087    
FOB,PFOB,DIAG,PSTEP=   -0.4497245047E-06   -0.9854711361E-06     746.4650690        0.1320192665E-08
J1,K1,R1,R2,RAT=   8   8   -0.8349681567         2.834970269        0.1650318433    
FOB,PFOB,DIAG,PSTEP=   -0.5199627753E-06   -0.2833635142E-06     674.1225746        0.4203437557E-09
J1,K1,R1,R2,RAT=   9   9     3.311542173        -1.311549901        0.3115499011    
FOB,PFOB,DIAG,PSTEP=   -0.6684288373E-06    0.2891684802E-06     630.5282862       -0.4586147900E-09
J1,K1,R1,R2,RAT=  10  10    0.6410730781         1.358935439        0.3589269219    
FOB,PFOB,DIAG,PSTEP=    0.1782649611E-06    0.4966571032E-06     600.8471693       -0.8265912092E-09
J1,K1,R1,R2,RAT=  11  11    0.7211785243         1.278823404        0.2788214757    
FOB,PFOB,DIAG,PSTEP=   -0.1283443270E-06   -0.4603089007E-06     586.3984592        0.7849755566E-09
J1,K1,R1,R2,RAT= 109 109    0.5983053869         1.401680938        0.4016809376    
FOB,PFOB,DIAG,PSTEP=    0.7147149562E-05    0.1779267663E-04     13.90560282       -0.1279541672E-05
J1,K1,R1,R2,RAT= 110 110    0.9129134405         1.087079268        0.8707926786E-01
FOB,PFOB,DIAG,PSTEP=   -0.3396515373E-05   -0.3900309311E-04     12.24240698        0.3185912326E-05
J1,K1,R1,R2,RAT= 111 111    0.7942133381         1.205791790        0.2057866619    
FOB,PFOB,DIAG,PSTEP=   -0.1973301491E-05   -0.9588969212E-05     10.09402327        0.9499626036E-06
J1,K1,R1,R2,RAT= 112 112    0.4477438649         768.9492561        0.5522561351    
FOB,PFOB,DIAG,PSTEP=   -0.3452449345E-01   -0.3456472272E-01     8.984886274        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    -1.117371173         2426.105857        0.1173711732    
FOB,PFOB,DIAG,PSTEP=   -0.9018115529E-01   -0.9009812557E-01     5.737947586        0.1295029000E-04
J1,K1,R1,R2,RAT= 114 114    0.7257523448        -28775.31943        0.2742476552    
FOB,PFOB,DIAG,PSTEP=   -0.9130140174       -0.9129679636         3.184669369       -0.1992562642E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
    -0.00000     -0.00001      0.00000      0.00000      0.00001     -0.00002 
     0.00001     -0.00000     -0.00000     -0.03452     -0.09018     -0.91301 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3835212984
 Log product of positive Hessian eigenvalues =          519.0678844738
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1846693689
 Unscaled step for mode    7=        0.0000000006
 Unscaled step for mode    8=        0.0000000008
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000003
 Unscaled step for mode   11=        0.0000000002
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=        0.0000000001
 Unscaled step for mode   14=       -0.0000000012
 Unscaled step for mode   15=        0.0000000004
 Unscaled step for mode   16=       -0.0000000003
 Unscaled step for mode   17=        0.0000000006
 Unscaled step for mode   18=        0.0000000005
 Unscaled step for mode   19=        0.0000000018
 Unscaled step for mode   20=        0.0000000005
 Unscaled step for mode   21=        0.0000000005
 Unscaled step for mode   22=        0.0000000024
 Unscaled step for mode   23=       -0.0000000017
 Unscaled step for mode   24=        0.0000000015
 Unscaled step for mode   25=        0.0000000024
 Unscaled step for mode   26=        0.0000000035
 Unscaled step for mode   27=        0.0000000008
 Unscaled step for mode   28=       -0.0000000003
 Unscaled step for mode   29=       -0.0000000041
 Unscaled step for mode   30=        0.0000000052
 Unscaled step for mode   31=        0.0000000049
 Unscaled step for mode   32=        0.0000000051
 Unscaled step for mode   33=       -0.0000000021
 Unscaled step for mode   34=        0.0000000033
 Unscaled step for mode   35=       -0.0000000051
 Unscaled step for mode   36=       -0.0000000085
 Unscaled step for mode   37=        0.0000000001
 Unscaled step for mode   38=        0.0000000011
 Unscaled step for mode   39=        0.0000000056
 Unscaled step for mode   40=        0.0000000089
 Unscaled step for mode   41=        0.0000000099
 Unscaled step for mode   42=        0.0000000086
 Unscaled step for mode   43=        0.0000000010
 Unscaled step for mode   44=        0.0000000139
 Unscaled step for mode   45=       -0.0000000056
 Unscaled step for mode   46=       -0.0000000103
 Unscaled step for mode   47=        0.0000000065
 Unscaled step for mode   48=        0.0000000022
 Unscaled step for mode   49=       -0.0000000080
 Unscaled step for mode   50=       -0.0000000028
 Unscaled step for mode   51=        0.0000000019
 Unscaled step for mode   52=       -0.0000000007
 Unscaled step for mode   53=       -0.0000000036
 Unscaled step for mode   54=        0.0000000061
 Unscaled step for mode   55=       -0.0000000092
 Unscaled step for mode   56=       -0.0000000099
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=        0.0000000106
 Unscaled step for mode   59=        0.0000000056
 Unscaled step for mode   60=       -0.0000000046
 Unscaled step for mode   61=        0.0000000049
 Unscaled step for mode   62=        0.0000000087
 Unscaled step for mode   63=       -0.0000000083
 Unscaled step for mode   64=       -0.0000000127
 Unscaled step for mode   65=       -0.0000000026
 Unscaled step for mode   66=       -0.0000000028
 Unscaled step for mode   67=       -0.0000000185
 Unscaled step for mode   68=       -0.0000000011
 Unscaled step for mode   69=        0.0000000032
 Unscaled step for mode   70=       -0.0000000170
 Unscaled step for mode   71=       -0.0000000034
 Unscaled step for mode   72=       -0.0000000377
 Unscaled step for mode   73=       -0.0000000052
 Unscaled step for mode   74=       -0.0000000081
 Unscaled step for mode   75=       -0.0000000251
 Unscaled step for mode   76=       -0.0000000034
 Unscaled step for mode   77=       -0.0000000406
 Unscaled step for mode   78=       -0.0000000011
 Unscaled step for mode   79=        0.0000000062
 Unscaled step for mode   80=       -0.0000000069
 Unscaled step for mode   81=       -0.0000000260
 Unscaled step for mode   82=       -0.0000000169
 Unscaled step for mode   83=       -0.0000000055
 Unscaled step for mode   84=        0.0000000286
 Unscaled step for mode   85=       -0.0000000186
 Unscaled step for mode   86=       -0.0000000096
 Unscaled step for mode   87=       -0.0000000216
 Unscaled step for mode   88=       -0.0000000389
 Unscaled step for mode   89=        0.0000000456
 Unscaled step for mode   90=        0.0000000388
 Unscaled step for mode   91=       -0.0000000038
 Unscaled step for mode   92=       -0.0000000642
 Unscaled step for mode   93=        0.0000000782
 Unscaled step for mode   94=       -0.0000000426
 Unscaled step for mode   95=        0.0000000329
 Unscaled step for mode   96=       -0.0000000008
 Unscaled step for mode   97=       -0.0000000172
 Unscaled step for mode   98=        0.0000000524
 Unscaled step for mode   99=        0.0000000572
 Unscaled step for mode  100=        0.0000000319
 Unscaled step for mode  101=        0.0000002221
 Unscaled step for mode  102=       -0.0000001719
 Unscaled step for mode  103=        0.0000001091
 Unscaled step for mode  104=        0.0000003261
 Unscaled step for mode  105=       -0.0000000448
 Unscaled step for mode  106=       -0.0000001364
 Unscaled step for mode  107=       -0.0000006544
 Unscaled step for mode  108=        0.0000009549
 Unscaled step for mode  109=       -0.0000005140
 Unscaled step for mode  110=        0.0000002774
 Unscaled step for mode  111=        0.0000001955
 Unscaled step for mode  112=        0.0038424508
 Unscaled step for mode  113=        0.0157127421
 Unscaled step for mode  114=       -0.2663516334
 Largest modulus ratio of non-zero e/values=           234.3932706    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.112258E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.163021E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.126635E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.709949E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.251941E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.324770E-14    0.974286E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.449725E-06    0.746465E+03  0.602472E-09 0.100000E-04    0.456345E+00
   8   -0.519963E-06    0.674123E+03  0.771318E-09 0.109000E-04    0.165032E+00
   9   -0.668429E-06    0.630528E+03  0.106011E-08 0.100000E-04    0.311550E+00
  10    0.178265E-06    0.600847E+03 -0.296689E-09 0.100000E-04    0.358927E+00
  11   -0.128344E-06    0.586398E+03  0.218869E-09 0.100000E-04    0.278821E+00
  12   -0.104040E-05    0.578872E+03  0.179729E-08 0.100000E-04    0.772372E+00
  13   -0.548468E-07    0.565117E+03  0.970539E-10 0.109000E-04    0.196675E+00
  14    0.585741E-06    0.487469E+03 -0.120160E-08 0.100000E-04    0.294276E+00
  15   -0.180483E-06    0.460680E+03  0.391776E-09 0.100000E-04    0.353855E+00
  16    0.132606E-06    0.459802E+03 -0.288398E-09 0.100000E-04    0.871077E+00
  17   -0.269364E-06    0.441696E+03  0.609839E-09 0.100000E-04    0.913986E+00
  18   -0.196198E-06    0.429317E+03  0.457000E-09 0.100000E-04    0.837770E+00
  19   -0.775016E-06    0.421937E+03  0.183680E-08 0.100000E-04    0.280698E+01
  20   -0.192598E-06    0.408030E+03  0.472020E-09 0.100000E-04    0.208895E+00
  21   -0.211220E-06    0.396366E+03  0.532890E-09 0.100000E-04    0.432230E+00
  22   -0.917928E-06    0.387544E+03  0.236857E-08 0.100000E-04    0.315562E+01
  23    0.641292E-06    0.370004E+03 -0.173320E-08 0.100000E-04    0.374820E+00
  24   -0.527356E-06    0.360560E+03  0.146260E-08 0.100000E-04    0.971441E+00
  25   -0.841560E-06    0.349385E+03  0.240869E-08 0.100000E-04    0.851560E+00
  26   -0.118263E-05    0.335264E+03  0.352745E-08 0.100000E-04    0.912384E+00
  27   -0.269500E-06    0.329256E+03  0.818512E-09 0.100000E-04    0.322709E+00
  28    0.944528E-07    0.321842E+03 -0.293476E-09 0.109000E-04    0.105396E+00
  29    0.129362E-05    0.319094E+03 -0.405405E-08 0.100000E-04    0.578094E+00
  30   -0.159756E-05    0.309455E+03  0.516251E-08 0.100000E-04    0.955075E+00
  31   -0.148022E-05    0.300850E+03  0.492011E-08 0.109000E-04    0.415739E-01
  32   -0.147835E-05    0.290597E+03  0.508728E-08 0.100000E-04    0.562075E+00
  33    0.579368E-06    0.278918E+03 -0.207719E-08 0.100000E-04    0.376355E+00
  34   -0.886511E-06    0.272711E+03  0.325073E-08 0.100000E-04    0.572889E+00
  35    0.136362E-05    0.268526E+03 -0.507816E-08 0.100000E-04    0.131505E+01
  36    0.224253E-05    0.264936E+03 -0.846440E-08 0.100000E-04    0.509506E+00
  37   -0.150498E-07    0.263801E+03  0.570497E-10 0.109000E-04    0.656450E-01
  38   -0.274100E-06    0.253249E+03  0.108233E-08 0.100000E-04    0.213109E+00
  39   -0.134674E-05    0.241561E+03  0.557517E-08 0.100000E-04    0.722512E+00
  40   -0.213736E-05    0.240750E+03  0.887793E-08 0.100000E-04    0.712893E+00
  41   -0.230812E-05    0.233972E+03  0.986494E-08 0.100000E-04    0.845273E+00
  42   -0.194763E-05    0.227504E+03  0.856085E-08 0.100000E-04    0.429302E+00
  43   -0.218713E-06    0.217098E+03  0.100744E-08 0.100000E-04    0.589949E+00
  44   -0.298310E-05    0.214884E+03  0.138824E-07 0.100000E-04    0.759582E+00
  45    0.119586E-05    0.213276E+03 -0.560709E-08 0.100000E-04    0.523261E+00
  46    0.213122E-05    0.207650E+03 -0.102635E-07 0.100000E-04    0.690253E+00
  47   -0.132225E-05    0.203021E+03  0.651288E-08 0.100000E-04    0.545261E+00
  48   -0.421274E-06    0.195477E+03  0.215511E-08 0.109000E-04    0.128617E+00
  49    0.156218E-05    0.194823E+03 -0.801848E-08 0.100000E-04    0.742783E+00
  50    0.542340E-06    0.191338E+03 -0.283446E-08 0.100000E-04    0.369736E+00
  51   -0.349541E-06    0.182922E+03  0.191087E-08 0.100000E-04    0.710308E+00
  52    0.121520E-06    0.174319E+03 -0.697110E-09 0.100000E-04    0.253917E+00
  53    0.615554E-06    0.172325E+03 -0.357205E-08 0.100000E-04    0.256823E+00
  54   -0.101953E-05    0.168201E+03  0.606135E-08 0.100000E-04    0.694791E+00
  55    0.149851E-05    0.163240E+03 -0.917979E-08 0.100000E-04    0.544980E+00
  56    0.155550E-05    0.156887E+03 -0.991483E-08 0.100000E-04    0.898842E+00
  57   -0.344646E-06    0.154885E+03  0.222517E-08 0.100000E-04    0.351827E+01
  58   -0.161391E-05    0.152264E+03  0.105994E-07 0.100000E-04    0.616815E+00
  59   -0.817471E-06    0.146698E+03  0.557247E-08 0.100000E-04    0.813773E+00
  60    0.662120E-06    0.143368E+03 -0.461833E-08 0.100000E-04    0.387627E+00
  61   -0.673187E-06    0.138065E+03  0.487586E-08 0.100000E-04    0.532027E+00
  62   -0.118158E-05    0.135873E+03  0.869620E-08 0.100000E-04    0.214770E+00
  63    0.108068E-05    0.130305E+03 -0.829348E-08 0.109000E-04    0.195687E+00
  64    0.164059E-05    0.128828E+03 -0.127347E-07 0.100000E-04    0.901851E+00
  65    0.334593E-06    0.126888E+03 -0.263693E-08 0.109000E-04    0.859178E-01
  66    0.347465E-06    0.124133E+03 -0.279915E-08 0.100000E-04    0.333145E+00
  67    0.221666E-05    0.120002E+03 -0.184719E-07 0.100000E-04    0.908687E+00
  68    0.125334E-06    0.118160E+03 -0.106071E-08 0.109000E-04    0.986321E-01
  69   -0.374829E-06    0.116860E+03  0.320751E-08 0.100000E-04    0.311644E+00
  70    0.187399E-05    0.110350E+03 -0.169822E-07 0.100000E-04    0.925117E+00
  71    0.366499E-06    0.106835E+03 -0.343050E-08 0.100000E-04    0.583292E+01
  72    0.393371E-05    0.104441E+03 -0.376645E-07 0.109000E-04    0.705668E-01
  73    0.533862E-06    0.102852E+03 -0.519059E-08 0.100000E-04    0.767601E+00
  74    0.805841E-06    0.995160E+02 -0.809760E-08 0.109000E-04    0.167830E+00
  75    0.240865E-05    0.961003E+02 -0.250639E-07 0.100000E-04    0.361452E+00
  76    0.323107E-06    0.941147E+02 -0.343312E-08 0.100000E-04    0.671439E+00
  77    0.373048E-05    0.919915E+02 -0.405525E-07 0.100000E-04    0.453269E+00
  78    0.104259E-06    0.912198E+02 -0.114294E-08 0.109000E-04    0.715241E-01
  79   -0.544709E-06    0.884464E+02  0.615863E-08 0.100000E-04    0.334677E+00
  80    0.593612E-06    0.855929E+02 -0.693530E-08 0.100000E-04    0.673318E+00
  81    0.210547E-05    0.808309E+02 -0.260479E-07 0.100000E-04    0.155754E+02
  82    0.136118E-05    0.804660E+02 -0.169163E-07 0.100000E-04    0.158534E+03
  83    0.432605E-06    0.779681E+02 -0.554849E-08 0.109000E-04    0.155967E+00
  84   -0.209386E-05    0.732953E+02  0.285674E-07 0.100000E-04    0.846806E+00
  85    0.135226E-05    0.725855E+02 -0.186299E-07 0.109000E-04    0.185129E+00
  86    0.652611E-06    0.679323E+02 -0.960678E-08 0.109000E-04    0.164037E+00
  87    0.139643E-05    0.647781E+02 -0.215571E-07 0.100000E-04    0.657294E+01
  88    0.238730E-05    0.613753E+02 -0.388968E-07 0.100000E-04    0.237179E+00
  89   -0.273189E-05    0.598487E+02  0.456467E-07 0.100000E-04    0.491194E+00
  90   -0.230655E-05    0.593948E+02  0.388342E-07 0.100000E-04    0.246728E+00
  91    0.220697E-06    0.581392E+02 -0.379601E-08 0.109000E-04    0.689435E-01
  92    0.358641E-05    0.558857E+02 -0.641740E-07 0.109000E-04    0.748190E-01
  93   -0.410164E-05    0.524513E+02  0.781991E-07 0.100000E-04    0.255047E+00
  94    0.221531E-05    0.520492E+02 -0.425619E-07 0.109000E-04    0.180227E+00
  95   -0.165182E-05    0.502105E+02  0.328978E-07 0.100000E-04    0.233169E+00
  96    0.383379E-07    0.461805E+02 -0.830174E-09 0.109000E-04    0.144387E-01
  97    0.744049E-06    0.433113E+02 -0.171791E-07 0.100000E-04    0.347868E+00
  98   -0.214414E-05    0.409103E+02  0.524108E-07 0.100000E-04    0.373330E+00
  99   -0.216734E-05    0.378699E+02  0.572312E-07 0.100000E-04    0.448848E+00
 100   -0.115691E-05    0.362247E+02  0.319369E-07 0.100000E-04    0.812378E+00
 101   -0.717267E-05    0.322889E+02  0.222141E-06 0.100000E-04    0.929155E+00
 102    0.496521E-05    0.288847E+02 -0.171898E-06 0.100000E-04    0.348063E+00
 103   -0.310457E-05    0.284497E+02  0.109125E-06 0.100000E-04    0.719455E+00
 104   -0.857054E-05    0.262857E+02  0.326053E-06 0.100000E-04    0.474767E+00
 105    0.104542E-05    0.233378E+02 -0.447951E-07 0.100000E-04    0.678472E+00
 106    0.290774E-05    0.213145E+02 -0.136421E-06 0.100000E-04    0.820712E+00
 107    0.129964E-04    0.198597E+02 -0.654412E-06 0.100000E-04    0.634012E+00
 108   -0.157186E-04    0.164612E+02  0.954885E-06 0.100000E-04    0.756087E+00
 109    0.714715E-05    0.139056E+02 -0.513976E-06 0.100000E-04    0.401681E+00
 110   -0.339652E-05    0.122424E+02  0.277439E-06 0.862308E-04    0.870793E-01
 111   -0.197330E-05    0.100940E+02  0.195492E-06 0.100000E-04    0.205787E+00
 112   -0.345245E-01    0.898489E+01  0.100000E-04 0.100000E-04    0.552256E+00
 113   -0.901812E-01    0.573795E+01  0.141158E-04 0.141158E-04    0.117371E+00
 114   -0.913014E+00    0.318467E+01 -0.179510E-04 0.179510E-04    0.274248E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1795101479E-04    0.2663516334    

 Beginning of optimization cycle  555.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2998139848
 potential> RMS force:                                               0.0859927964   |gradient|=.9181518164    
 Eigenvalues of the Hessian matrix:
   746.46984    674.12199    630.53111    600.84446    586.39806    578.87321 
   565.11380    487.46962    460.67830    459.80161    441.69622    429.31757 
   421.93637    408.02902    396.36592    387.54285    370.00491    360.55982 
   349.38380    335.26488    329.25754    321.84180    319.09408    309.45336 
   300.84926    290.59741    278.91954    272.71193    268.52611    264.93657 
   263.80220    253.24811    241.56124    240.75050    233.97242    227.50381 
   217.09835    214.88456    213.27552    207.65061    203.02066    195.47570 
   194.82277    191.33815    182.92238    174.31980    172.32512    168.20155 
   163.23927    156.88620    154.88512    152.26434    146.69731    143.36783 
   138.06587    135.87315    130.30470    128.82868    126.88791    124.13163 
   120.00218    118.16050    116.85955    110.35060    106.83527    104.44102 
   102.85182     99.51598     96.10034     94.11458     91.99071     91.21995 
    88.44591     85.59317     80.83099     80.46656     77.96791     73.29532 
    72.58525     67.93220     64.77765     61.37468     59.84844     59.39501 
    58.13906     55.88559     52.45120     52.04895     50.21101     46.18006 
    43.31179     40.91050     37.86999     36.22469     32.28829     28.88498 
    28.44972     26.28574     23.33776     21.31482     19.85935     16.46104 
    13.90567     12.24243     10.09397      8.98608      5.73789      3.18431 
overlap for current and previous eigenvector    109 is         0.9999999929
overlap for current and previous eigenvector    110 is        -0.9999999995
overlap for current and previous eigenvector    111 is        -0.9999999880
overlap for current and previous eigenvector    112 is         0.9999999647
overlap for current and previous eigenvector    113 is        -0.9999999560
overlap for current and previous eigenvector    114 is        -0.9999999800
J1,K1,R1,R2,RAT=   7   7    0.1436145164         1.856372706        0.8563727064    
FOB,PFOB,DIAG,PSTEP=   -0.3851371248E-06   -0.4497245047E-06     746.4698380        0.6024722700E-09
J1,K1,R1,R2,RAT=   8   8    0.4920610130E-01     1.950795646        0.9507938987    
FOB,PFOB,DIAG,PSTEP=   -0.4943774567E-06   -0.5199627753E-06     674.1219856        0.7713178506E-09
J1,K1,R1,R2,RAT=   9   9   -0.2868592993E-01     2.028676969        0.9713140701    
FOB,PFOB,DIAG,PSTEP=   -0.6876034260E-06   -0.6684288373E-06     630.5311111        0.1060109200E-08
J1,K1,R1,R2,RAT=  10  10    0.2476890113         1.752320009        0.7523109887    
FOB,PFOB,DIAG,PSTEP=    0.1341108883E-06    0.1782649611E-06     600.8444594       -0.2966893584E-09
J1,K1,R1,R2,RAT=  11  11    0.4003484819         1.599652865        0.5996515181    
FOB,PFOB,DIAG,PSTEP=   -0.7696190515E-07   -0.1283443270E-06     586.3980643        0.2188687999E-09
J1,K1,R1,R2,RAT= 109 109    0.2602698311E-01     1.973962714        0.9739627144    
FOB,PFOB,DIAG,PSTEP=    0.6961129863E-05    0.7147149562E-05     13.90567445       -0.5139762478E-06
J1,K1,R1,R2,RAT= 110 110    0.9922934945         1.007702047        0.7702046577E-02
FOB,PFOB,DIAG,PSTEP=   -0.2616775031E-07   -0.3396515373E-05     12.24243428        0.2774385281E-06
J1,K1,R1,R2,RAT= 111 111     1.909230660        0.9077924813E-01    0.9092207519    
FOB,PFOB,DIAG,PSTEP=    0.1794167553E-05   -0.1973301491E-05     10.09397326        0.1954920687E-06
J1,K1,R1,R2,RAT= 112 112    0.4496384539         767.9496154        0.5503615461    
FOB,PFOB,DIAG,PSTEP=   -0.3448408857E-01   -0.3452449345E-01     8.986081982        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     2227.926689        -1.092897118        0.9289711843E-01
FOB,PFOB,DIAG,PSTEP=    0.9026967444E-01   -0.9018115529E-01     5.737887059        0.1411581610E-04
J1,K1,R1,R2,RAT= 114 114    -31945.71587        0.6744034664        0.3255965336    
FOB,PFOB,DIAG,PSTEP=    0.9130525673       -0.9130140174         3.184307355       -0.1795101479E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00001     -0.00000      0.00000     -0.00001     -0.00002 
     0.00001     -0.00000      0.00000     -0.03448      0.09027      0.91305 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3834898916
 Log product of positive Hessian eigenvalues =          519.0678478816
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1843073546
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000002
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=        0.0000000000
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000006
 Unscaled step for mode   16=       -0.0000000002
 Unscaled step for mode   17=        0.0000000008
 Unscaled step for mode   18=        0.0000000006
 Unscaled step for mode   19=        0.0000000016
 Unscaled step for mode   20=        0.0000000006
 Unscaled step for mode   21=        0.0000000007
 Unscaled step for mode   22=        0.0000000023
 Unscaled step for mode   23=       -0.0000000018
 Unscaled step for mode   24=        0.0000000016
 Unscaled step for mode   25=        0.0000000020
 Unscaled step for mode   26=        0.0000000030
 Unscaled step for mode   27=        0.0000000005
 Unscaled step for mode   28=        0.0000000000
 Unscaled step for mode   29=       -0.0000000032
 Unscaled step for mode   30=        0.0000000048
 Unscaled step for mode   31=        0.0000000046
 Unscaled step for mode   32=        0.0000000047
 Unscaled step for mode   33=       -0.0000000017
 Unscaled step for mode   34=        0.0000000027
 Unscaled step for mode   35=       -0.0000000050
 Unscaled step for mode   36=       -0.0000000072
 Unscaled step for mode   37=        0.0000000003
 Unscaled step for mode   38=        0.0000000012
 Unscaled step for mode   39=        0.0000000048
 Unscaled step for mode   40=        0.0000000081
 Unscaled step for mode   41=        0.0000000088
 Unscaled step for mode   42=        0.0000000083
 Unscaled step for mode   43=        0.0000000008
 Unscaled step for mode   44=        0.0000000128
 Unscaled step for mode   45=       -0.0000000053
 Unscaled step for mode   46=       -0.0000000090
 Unscaled step for mode   47=        0.0000000057
 Unscaled step for mode   48=        0.0000000032
 Unscaled step for mode   49=       -0.0000000073
 Unscaled step for mode   50=       -0.0000000033
 Unscaled step for mode   51=        0.0000000013
 Unscaled step for mode   52=        0.0000000010
 Unscaled step for mode   53=       -0.0000000029
 Unscaled step for mode   54=        0.0000000049
 Unscaled step for mode   55=        0.0000000083
 Unscaled step for mode   56=       -0.0000000092
 Unscaled step for mode   57=       -0.0000000013
 Unscaled step for mode   58=        0.0000000095
 Unscaled step for mode   59=        0.0000000054
 Unscaled step for mode   60=       -0.0000000033
 Unscaled step for mode   61=       -0.0000000031
 Unscaled step for mode   62=       -0.0000000085
 Unscaled step for mode   63=       -0.0000000093
 Unscaled step for mode   64=        0.0000000103
 Unscaled step for mode   65=       -0.0000000034
 Unscaled step for mode   66=       -0.0000000025
 Unscaled step for mode   67=       -0.0000000174
 Unscaled step for mode   68=       -0.0000000018
 Unscaled step for mode   69=        0.0000000026
 Unscaled step for mode   70=       -0.0000000165
 Unscaled step for mode   71=       -0.0000000041
 Unscaled step for mode   72=        0.0000000328
 Unscaled step for mode   73=        0.0000000034
 Unscaled step for mode   74=       -0.0000000053
 Unscaled step for mode   75=       -0.0000000209
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=        0.0000000335
 Unscaled step for mode   78=       -0.0000000019
 Unscaled step for mode   79=        0.0000000070
 Unscaled step for mode   80=       -0.0000000071
 Unscaled step for mode   81=        0.0000000238
 Unscaled step for mode   82=        0.0000000166
 Unscaled step for mode   83=       -0.0000000044
 Unscaled step for mode   84=       -0.0000000225
 Unscaled step for mode   85=       -0.0000000170
 Unscaled step for mode   86=       -0.0000000045
 Unscaled step for mode   87=        0.0000000172
 Unscaled step for mode   88=       -0.0000000309
 Unscaled step for mode   89=        0.0000000401
 Unscaled step for mode   90=       -0.0000000425
 Unscaled step for mode   91=       -0.0000000059
 Unscaled step for mode   92=       -0.0000000649
 Unscaled step for mode   93=        0.0000000724
 Unscaled step for mode   94=       -0.0000000393
 Unscaled step for mode   95=       -0.0000000268
 Unscaled step for mode   96=       -0.0000000008
 Unscaled step for mode   97=        0.0000000282
 Unscaled step for mode   98=        0.0000000344
 Unscaled step for mode   99=       -0.0000000413
 Unscaled step for mode  100=        0.0000000147
 Unscaled step for mode  101=       -0.0000002311
 Unscaled step for mode  102=       -0.0000001299
 Unscaled step for mode  103=       -0.0000001111
 Unscaled step for mode  104=       -0.0000002763
 Unscaled step for mode  105=        0.0000000861
 Unscaled step for mode  106=       -0.0000001705
 Unscaled step for mode  107=        0.0000006824
 Unscaled step for mode  108=        0.0000009755
 Unscaled step for mode  109=       -0.0000005006
 Unscaled step for mode  110=        0.0000000021
 Unscaled step for mode  111=       -0.0000001777
 Unscaled step for mode  112=        0.0038374434
 Unscaled step for mode  113=       -0.0157283234
 Unscaled step for mode  114=        0.2663876584
 Largest modulus ratio of non-zero e/values=           234.4214157    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.295337E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.125713E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.599428E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.313205E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.176942E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.333268E-14    0.974286E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.385137E-06    0.746470E+03  0.515945E-09 0.100000E-04    0.856373E+00
   8   -0.494377E-06    0.674122E+03  0.733365E-09 0.100000E-04    0.950794E+00
   9   -0.687603E-06    0.630531E+03  0.109051E-08 0.100000E-04    0.971314E+00
  10    0.134111E-06    0.600844E+03 -0.223204E-09 0.100000E-04    0.752311E+00
  11   -0.769619E-07    0.586398E+03  0.131245E-09 0.100000E-04    0.599652E+00
  12   -0.104649E-05    0.578873E+03  0.180781E-08 0.100000E-04    0.994145E+00
  13   -0.676744E-08    0.565114E+03  0.119753E-10 0.118810E-04    0.123383E+00
  14    0.503216E-06    0.487470E+03 -0.103230E-08 0.100000E-04    0.859108E+00
  15   -0.254795E-06    0.460678E+03  0.553087E-09 0.100000E-04    0.588258E+00
  16    0.857363E-07    0.459802E+03 -0.186464E-09 0.100000E-04    0.646548E+00
  17   -0.340589E-06    0.441696E+03  0.771094E-09 0.100000E-04    0.735578E+00
  18   -0.243135E-06    0.429318E+03  0.566330E-09 0.100000E-04    0.760764E+00
  19   -0.677156E-06    0.421936E+03  0.160488E-08 0.100000E-04    0.873731E+00
  20   -0.234906E-06    0.408029E+03  0.575710E-09 0.100000E-04    0.780331E+00
  21   -0.263788E-06    0.396366E+03  0.665517E-09 0.100000E-04    0.751118E+00
  22   -0.883090E-06    0.387543E+03  0.227869E-08 0.100000E-04    0.962048E+00
  23    0.670813E-06    0.370005E+03 -0.181298E-08 0.100000E-04    0.953967E+00
  24   -0.576742E-06    0.360560E+03  0.159957E-08 0.100000E-04    0.906351E+00
  25   -0.693440E-06    0.349384E+03  0.198475E-08 0.100000E-04    0.823993E+00
  26   -0.100531E-05    0.335265E+03  0.299856E-08 0.100000E-04    0.850063E+00
  27   -0.157363E-06    0.329258E+03  0.477933E-09 0.100000E-04    0.583902E+00
  28   -0.613502E-08    0.321842E+03  0.190622E-10 0.118810E-04    0.649531E-01
  29    0.101819E-05    0.319094E+03 -0.319089E-08 0.100000E-04    0.787086E+00
  30   -0.147789E-05    0.309453E+03  0.477580E-08 0.100000E-04    0.925089E+00
  31   -0.138957E-05    0.300849E+03  0.461883E-08 0.100000E-04    0.938761E+00
  32   -0.137241E-05    0.290597E+03  0.472271E-08 0.100000E-04    0.928336E+00
  33    0.478020E-06    0.278920E+03 -0.171383E-08 0.100000E-04    0.825065E+00
  34   -0.728620E-06    0.272712E+03  0.267176E-08 0.100000E-04    0.821892E+00
  35    0.134057E-05    0.268526E+03 -0.499232E-08 0.100000E-04    0.983095E+00
  36    0.191496E-05    0.264937E+03 -0.722798E-08 0.100000E-04    0.853926E+00
  37   -0.723728E-07    0.263802E+03  0.274345E-09 0.100000E-04    0.280888E+01
  38   -0.311481E-06    0.253248E+03  0.122995E-08 0.100000E-04    0.863619E+00
  39   -0.115255E-05    0.241561E+03  0.477126E-08 0.100000E-04    0.855805E+00
  40   -0.194117E-05    0.240750E+03  0.806298E-08 0.100000E-04    0.908202E+00
  41   -0.205495E-05    0.233972E+03  0.878288E-08 0.100000E-04    0.890310E+00
  42   -0.188980E-05    0.227504E+03  0.830668E-08 0.100000E-04    0.970310E+00
  43   -0.170075E-06    0.217098E+03  0.783402E-09 0.100000E-04    0.777617E+00
  44   -0.275701E-05    0.214885E+03  0.128302E-07 0.100000E-04    0.924206E+00
  45    0.113301E-05    0.213276E+03 -0.531244E-08 0.100000E-04    0.947449E+00
  46    0.187290E-05    0.207651E+03 -0.901947E-08 0.100000E-04    0.878786E+00
  47   -0.115837E-05    0.203021E+03  0.570565E-08 0.100000E-04    0.876055E+00
  48   -0.629045E-06    0.195476E+03  0.321802E-08 0.100000E-04    0.506799E+00
  49    0.141815E-05    0.194823E+03 -0.727919E-08 0.100000E-04    0.907801E+00
  50    0.631689E-06    0.191338E+03 -0.330143E-08 0.100000E-04    0.835253E+00
  51   -0.246574E-06    0.182922E+03  0.134797E-08 0.100000E-04    0.705420E+00
  52   -0.175208E-06    0.174320E+03  0.100509E-08 0.100000E-04    0.558198E+00
  53    0.503119E-06    0.172325E+03 -0.291959E-08 0.100000E-04    0.817342E+00
  54   -0.821369E-06    0.168202E+03  0.488324E-08 0.100000E-04    0.805635E+00
  55   -0.134792E-05    0.163239E+03  0.825732E-08 0.100000E-04    0.899508E+00
  56    0.144110E-05    0.156886E+03 -0.918562E-08 0.100000E-04    0.926449E+00
  57    0.199199E-06    0.154885E+03 -0.128611E-08 0.100000E-04    0.577978E+00
  58   -0.145210E-05    0.152264E+03  0.953669E-08 0.100000E-04    0.899738E+00
  59   -0.796935E-06    0.146697E+03  0.543251E-08 0.100000E-04    0.974879E+00
  60    0.471475E-06    0.143368E+03 -0.328857E-08 0.100000E-04    0.712069E+00
  61    0.421708E-06    0.138066E+03 -0.305439E-08 0.100000E-04    0.626428E+00
  62    0.114856E-05    0.135873E+03 -0.845317E-08 0.100000E-04    0.972053E+00
  63    0.120541E-05    0.130305E+03 -0.925068E-08 0.100000E-04    0.884586E+00
  64   -0.132937E-05    0.128829E+03  0.103189E-07 0.100000E-04    0.810295E+00
  65    0.427996E-06    0.126888E+03 -0.337302E-08 0.100000E-04    0.720848E+00
  66    0.304319E-06    0.124132E+03 -0.245159E-08 0.100000E-04    0.875826E+00
  67    0.208878E-05    0.120002E+03 -0.174062E-07 0.100000E-04    0.942309E+00
  68    0.216971E-06    0.118161E+03 -0.183624E-08 0.100000E-04    0.268855E+00
  69   -0.299452E-06    0.116860E+03  0.256249E-08 0.100000E-04    0.798901E+00
  70    0.181541E-05    0.110351E+03 -0.164513E-07 0.100000E-04    0.968739E+00
  71    0.435509E-06    0.106835E+03 -0.407646E-08 0.100000E-04    0.811702E+00
  72   -0.342458E-05    0.104441E+03  0.327896E-07 0.100000E-04    0.870569E+00
  73   -0.351452E-06    0.102852E+03  0.341707E-08 0.100000E-04    0.658320E+00
  74    0.528222E-06    0.995160E+02 -0.530791E-08 0.100000E-04    0.655491E+00
  75    0.201309E-05    0.961003E+02 -0.209478E-07 0.100000E-04    0.835773E+00
  76    0.247198E-06    0.941146E+02 -0.262657E-08 0.100000E-04    0.765065E+00
  77   -0.308305E-05    0.919907E+02  0.335148E-07 0.100000E-04    0.826448E+00
  78    0.170758E-06    0.912200E+02 -0.187194E-08 0.100000E-04    0.362173E+00
  79   -0.622576E-06    0.884459E+02  0.703905E-08 0.100000E-04    0.857048E+00
  80    0.603711E-06    0.855932E+02 -0.705326E-08 0.100000E-04    0.982988E+00
  81   -0.192478E-05    0.808310E+02  0.238124E-07 0.100000E-04    0.914178E+00
  82   -0.133656E-05    0.804666E+02  0.166101E-07 0.100000E-04    0.981895E+00
  83    0.339602E-06    0.779679E+02 -0.435566E-08 0.100000E-04    0.785015E+00
  84    0.165144E-05    0.732953E+02 -0.225313E-07 0.100000E-04    0.788704E+00
  85    0.123564E-05    0.725852E+02 -0.170233E-07 0.100000E-04    0.913761E+00
  86    0.305735E-06    0.679322E+02 -0.450060E-08 0.100000E-04    0.468480E+00
  87   -0.111475E-05    0.647777E+02  0.172089E-07 0.100000E-04    0.798285E+00
  88    0.189462E-05    0.613747E+02 -0.308698E-07 0.100000E-04    0.793623E+00
  89   -0.239874E-05    0.598484E+02  0.400802E-07 0.100000E-04    0.878049E+00
  90    0.252370E-05    0.593950E+02 -0.424900E-07 0.100000E-04    0.905858E+00
  91    0.344070E-06    0.581391E+02 -0.591806E-08 0.100000E-04    0.440982E+00
  92    0.362613E-05    0.558856E+02 -0.648849E-07 0.100000E-04    0.988924E+00
  93   -0.379838E-05    0.524512E+02  0.724175E-07 0.100000E-04    0.926064E+00
  94    0.204334E-05    0.520490E+02 -0.392581E-07 0.100000E-04    0.922371E+00
  95    0.134453E-05    0.502110E+02 -0.267777E-07 0.100000E-04    0.813957E+00
  96    0.361808E-07    0.461801E+02 -0.783471E-09 0.100000E-04    0.943734E+00
  97   -0.122006E-05    0.433118E+02  0.281693E-07 0.100000E-04    0.360244E+00
  98   -0.140858E-05    0.409105E+02  0.344307E-07 0.100000E-04    0.656935E+00
  99    0.156337E-05    0.378700E+02 -0.412827E-07 0.100000E-04    0.721329E+00
 100   -0.531972E-06    0.362247E+02  0.146853E-07 0.100000E-04    0.459822E+00
 101    0.746301E-05    0.322883E+02 -0.231137E-06 0.100000E-04    0.959520E+00
 102    0.375124E-05    0.288850E+02 -0.129868E-06 0.100000E-04    0.755488E+00
 103    0.316166E-05    0.284497E+02 -0.111131E-06 0.100000E-04    0.981611E+00
 104    0.726266E-05    0.262857E+02 -0.276296E-06 0.100000E-04    0.847395E+00
 105   -0.200928E-05    0.233378E+02  0.860959E-07 0.109000E-04    0.780108E-01
 106    0.363384E-05    0.213148E+02 -0.170484E-06 0.100000E-04    0.750290E+00
 107   -0.135517E-04    0.198593E+02  0.682385E-06 0.100000E-04    0.957269E+00
 108   -0.160573E-04    0.164610E+02  0.975474E-06 0.100000E-04    0.978448E+00
 109    0.696113E-05    0.139057E+02 -0.500596E-06 0.100000E-04    0.973963E+00
 110   -0.261678E-07    0.122424E+02  0.213746E-08 0.939916E-04    0.770205E-02
 111    0.179417E-05    0.100940E+02 -0.177746E-06 0.100000E-04    0.909221E+00
 112   -0.344841E-01    0.898608E+01  0.100000E-04 0.100000E-04    0.550362E+00
 113    0.902697E-01    0.573789E+01 -0.153862E-04 0.153862E-04    0.928971E-01
 114    0.913053E+00    0.318431E+01  0.161721E-04 0.161721E-04    0.325597E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1617208540E-04    0.2663876584    

 Beginning of optimization cycle  556.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2998009511
 potential> RMS force:                                               0.0859964638   |gradient|=.9181909729    
 Eigenvalues of the Hessian matrix:
   746.47440    674.12127    630.53397    600.84183    586.39764    578.87392 
   565.11052    487.47002    460.67677    459.80092    441.69588    429.31831 
   421.93574    408.02761    396.36537    387.54134    370.00567    360.55983 
   349.38283    335.26535    329.25865    321.84180    319.09408    309.45221 
   300.84823    290.59768    278.92068    272.71249    268.52636    264.93693 
   263.80299    253.24731    241.56117    240.75107    233.97295    227.50374 
   217.09863    214.88474    213.27531    207.65108    203.02024    195.47477 
   194.82290    191.33853    182.92273    174.32039    172.32525    168.20177 
   163.23884    156.88582    154.88554    152.26428    146.69665    143.36758 
   138.06635    135.87312    130.30454    128.82887    126.88821    124.13065 
   120.00235    118.16064    116.85923    110.35075    106.83509    104.44128 
   102.85186     99.51592     96.10035     94.11445     91.99003     91.22013 
    88.44538     85.59344     80.83104     80.46712     77.96774     73.29530 
    72.58491     67.93206     64.77724     61.37405     59.84819     59.39518 
    58.13893     55.88547     52.45114     52.04868     50.21151     46.17960 
    43.31230     40.91069     37.87005     36.22461     32.28775     28.88527 
    28.44975     26.28583     23.33768     21.31516     19.85908     16.46089 
    13.90574     12.24246     10.09392      8.98734      5.73788      3.18397 
overlap for current and previous eigenvector    109 is         0.9999999923
overlap for current and previous eigenvector    110 is         0.9999999994
overlap for current and previous eigenvector    111 is         0.9999999866
overlap for current and previous eigenvector    112 is        -0.9999999605
overlap for current and previous eigenvector    113 is         0.9999999516
overlap for current and previous eigenvector    114 is         0.9999999781
J1,K1,R1,R2,RAT=   7   7    0.1173818714         1.882605917        0.8826059171    
FOB,PFOB,DIAG,PSTEP=   -0.3399287323E-06   -0.3851371248E-06     746.4743957        0.5159446574E-09
J1,K1,R1,R2,RAT=   8   8    0.4294832640E-01     1.957053803        0.9570516736    
FOB,PFOB,DIAG,PSTEP=   -0.4731447949E-06   -0.4943774567E-06     674.1212678        0.7333649803E-09
J1,K1,R1,R2,RAT=   9   9   -0.9480974479E-02     2.009471907        0.9905190255    
FOB,PFOB,DIAG,PSTEP=   -0.6941226061E-06   -0.6876034260E-06     630.5339698        0.1090514669E-08
J1,K1,R1,R2,RAT=  10  10    0.2335009390         1.766507825        0.7664990610    
FOB,PFOB,DIAG,PSTEP=    0.1027960072E-06    0.1341108883E-06     600.8418266       -0.2232040027E-09
J1,K1,R1,R2,RAT=  11  11    0.2884039067         1.711597544        0.7115960933    
FOB,PFOB,DIAG,PSTEP=   -0.5476580713E-07   -0.7696190515E-07     586.3976390        0.1312451555E-09
J1,K1,R1,R2,RAT= 109 109    0.2826140383E-01     1.971728701        0.9717287007    
FOB,PFOB,DIAG,PSTEP=    0.6764397587E-05    0.6961129863E-05     13.90574326       -0.5005963491E-06
J1,K1,R1,R2,RAT= 110 110    -69.24530800         71.24530383         68.24530800    
FOB,PFOB,DIAG,PSTEP=   -0.1838165454E-05   -0.2616775031E-07     12.24245977        0.2137463001E-08
J1,K1,R1,R2,RAT= 111 111    0.2428877434         1.757123297        0.7571122566    
FOB,PFOB,DIAG,PSTEP=    0.1358388650E-05    0.1794167553E-05     10.09391754       -0.1777464142E-06
J1,K1,R1,R2,RAT= 112 112     766.9529301        0.4398633474        0.5601366526    
FOB,PFOB,DIAG,PSTEP=    0.3444455657E-01   -0.3448408857E-01     8.987337088        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113    -1.017421405         2045.991561        0.1742140544E-01
FOB,PFOB,DIAG,PSTEP=    0.9035949690E-01    0.9026967444E-01     5.737881326       -0.1538623955E-04
J1,K1,R1,R2,RAT= 114 114    0.6211295177        -35464.92608        0.3788704823    
FOB,PFOB,DIAG,PSTEP=    0.9130845501        0.9130525673         3.183965102        0.1617208540E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00001      0.00000      0.00000      0.00001      0.00002 
     0.00001     -0.00000      0.00000      0.03444      0.09036      0.91308 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3834606179
 Log product of positive Hessian eigenvalues =          519.0678383581
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1839651021
 Unscaled step for mode    7=        0.0000000005
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000002
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000000
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000006
 Unscaled step for mode   16=       -0.0000000001
 Unscaled step for mode   17=        0.0000000009
 Unscaled step for mode   18=        0.0000000007
 Unscaled step for mode   19=        0.0000000013
 Unscaled step for mode   20=        0.0000000006
 Unscaled step for mode   21=        0.0000000007
 Unscaled step for mode   22=        0.0000000021
 Unscaled step for mode   23=       -0.0000000019
 Unscaled step for mode   24=        0.0000000015
 Unscaled step for mode   25=        0.0000000016
 Unscaled step for mode   26=        0.0000000024
 Unscaled step for mode   27=        0.0000000002
 Unscaled step for mode   28=        0.0000000002
 Unscaled step for mode   29=       -0.0000000025
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000043
 Unscaled step for mode   32=        0.0000000046
 Unscaled step for mode   33=       -0.0000000014
 Unscaled step for mode   34=        0.0000000022
 Unscaled step for mode   35=       -0.0000000047
 Unscaled step for mode   36=       -0.0000000067
 Unscaled step for mode   37=        0.0000000006
 Unscaled step for mode   38=        0.0000000011
 Unscaled step for mode   39=        0.0000000041
 Unscaled step for mode   40=        0.0000000075
 Unscaled step for mode   41=        0.0000000079
 Unscaled step for mode   42=        0.0000000081
 Unscaled step for mode   43=        0.0000000006
 Unscaled step for mode   44=        0.0000000121
 Unscaled step for mode   45=       -0.0000000049
 Unscaled step for mode   46=       -0.0000000082
 Unscaled step for mode   47=        0.0000000053
 Unscaled step for mode   48=        0.0000000038
 Unscaled step for mode   49=       -0.0000000067
 Unscaled step for mode   50=       -0.0000000039
 Unscaled step for mode   51=        0.0000000008
 Unscaled step for mode   52=       -0.0000000015
 Unscaled step for mode   53=       -0.0000000024
 Unscaled step for mode   54=        0.0000000041
 Unscaled step for mode   55=       -0.0000000076
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=       -0.0000000005
 Unscaled step for mode   58=       -0.0000000087
 Unscaled step for mode   59=       -0.0000000053
 Unscaled step for mode   60=       -0.0000000023
 Unscaled step for mode   61=       -0.0000000011
 Unscaled step for mode   62=        0.0000000081
 Unscaled step for mode   63=        0.0000000103
 Unscaled step for mode   64=        0.0000000082
 Unscaled step for mode   65=        0.0000000048
 Unscaled step for mode   66=        0.0000000029
 Unscaled step for mode   67=        0.0000000169
 Unscaled step for mode   68=       -0.0000000023
 Unscaled step for mode   69=        0.0000000019
 Unscaled step for mode   70=       -0.0000000154
 Unscaled step for mode   71=        0.0000000045
 Unscaled step for mode   72=       -0.0000000282
 Unscaled step for mode   73=       -0.0000000023
 Unscaled step for mode   74=        0.0000000043
 Unscaled step for mode   75=       -0.0000000172
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=        0.0000000297
 Unscaled step for mode   78=        0.0000000036
 Unscaled step for mode   79=       -0.0000000071
 Unscaled step for mode   80=       -0.0000000066
 Unscaled step for mode   81=        0.0000000220
 Unscaled step for mode   82=       -0.0000000163
 Unscaled step for mode   83=       -0.0000000045
 Unscaled step for mode   84=       -0.0000000170
 Unscaled step for mode   85=        0.0000000188
 Unscaled step for mode   86=        0.0000000017
 Unscaled step for mode   87=       -0.0000000113
 Unscaled step for mode   88=       -0.0000000289
 Unscaled step for mode   89=        0.0000000387
 Unscaled step for mode   90=        0.0000000410
 Unscaled step for mode   91=        0.0000000144
 Unscaled step for mode   92=        0.0000000634
 Unscaled step for mode   93=        0.0000000696
 Unscaled step for mode   94=        0.0000000338
 Unscaled step for mode   95=       -0.0000000283
 Unscaled step for mode   96=       -0.0000000051
 Unscaled step for mode   97=       -0.0000000370
 Unscaled step for mode   98=       -0.0000000243
 Unscaled step for mode   99=       -0.0000000233
 Unscaled step for mode  100=       -0.0000000027
 Unscaled step for mode  101=        0.0000002460
 Unscaled step for mode  102=       -0.0000001032
 Unscaled step for mode  103=       -0.0000001075
 Unscaled step for mode  104=        0.0000002381
 Unscaled step for mode  105=       -0.0000001177
 Unscaled step for mode  106=       -0.0000001896
 Unscaled step for mode  107=       -0.0000007298
 Unscaled step for mode  108=       -0.0000010418
 Unscaled step for mode  109=       -0.0000004864
 Unscaled step for mode  110=        0.0000001501
 Unscaled step for mode  111=       -0.0000001346
 Unscaled step for mode  112=       -0.0038325090
 Unscaled step for mode  113=       -0.0157439818
 Unscaled step for mode  114=        0.2664205930
 Largest modulus ratio of non-zero e/values=           234.4480457    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.503287E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.104067E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.174374E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.436757E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.727933E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.304668E-14    0.974286E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.339929E-06    0.746474E+03  0.455379E-09 0.100000E-04    0.882606E+00
   8   -0.473145E-06    0.674121E+03  0.701869E-09 0.100000E-04    0.957052E+00
   9   -0.694123E-06    0.630534E+03  0.110085E-08 0.100000E-04    0.990519E+00
  10    0.102796E-06    0.600842E+03 -0.171087E-09 0.100000E-04    0.766499E+00
  11   -0.547658E-07    0.586398E+03  0.933936E-10 0.100000E-04    0.711596E+00
  12   -0.104071E-05    0.578874E+03  0.179782E-08 0.100000E-04    0.994474E+00
  13    0.746362E-08    0.565111E+03 -0.132074E-10 0.107036E-04    0.897126E+00
  14    0.486295E-06    0.487470E+03 -0.997589E-09 0.100000E-04    0.966371E+00
  15   -0.291142E-06    0.460677E+03  0.631986E-09 0.100000E-04    0.857351E+00
  16    0.472479E-07    0.459801E+03 -0.102757E-09 0.100000E-04    0.551083E+00
  17   -0.380095E-06    0.441696E+03  0.860536E-09 0.100000E-04    0.884008E+00
  18   -0.280615E-06    0.429318E+03  0.653630E-09 0.100000E-04    0.845849E+00
  19   -0.567918E-06    0.421936E+03  0.134598E-08 0.100000E-04    0.838681E+00
  20   -0.263228E-06    0.408028E+03  0.645124E-09 0.100000E-04    0.879431E+00
  21   -0.297193E-06    0.396365E+03  0.749796E-09 0.100000E-04    0.873364E+00
  22   -0.832917E-06    0.387541E+03  0.214923E-08 0.100000E-04    0.943184E+00
  23    0.696755E-06    0.370006E+03 -0.188309E-08 0.100000E-04    0.961327E+00
  24   -0.548703E-06    0.360560E+03  0.152181E-08 0.100000E-04    0.951384E+00
  25   -0.561466E-06    0.349383E+03  0.160702E-08 0.100000E-04    0.809682E+00
  26   -0.818612E-06    0.335265E+03  0.244168E-08 0.100000E-04    0.814284E+00
  27   -0.567423E-07    0.329259E+03  0.172333E-09 0.100000E-04    0.360577E+00
  28   -0.791506E-07    0.321842E+03  0.245930E-09 0.107036E-04    0.109014E+02
  29    0.806000E-06    0.319094E+03 -0.252590E-08 0.100000E-04    0.791598E+00
  30   -0.143325E-05    0.309452E+03  0.463156E-08 0.100000E-04    0.969793E+00
  31   -0.130169E-05    0.300848E+03  0.432674E-08 0.100000E-04    0.936758E+00
  32   -0.133226E-05    0.290598E+03  0.458456E-08 0.100000E-04    0.970746E+00
  33    0.384251E-06    0.278921E+03 -0.137763E-08 0.100000E-04    0.803831E+00
  34   -0.598049E-06    0.272712E+03  0.219297E-08 0.100000E-04    0.820794E+00
  35    0.127421E-05    0.268526E+03 -0.474520E-08 0.100000E-04    0.950500E+00
  36    0.177354E-05    0.264937E+03 -0.669418E-08 0.100000E-04    0.926147E+00
  37   -0.155938E-06    0.263803E+03  0.591115E-09 0.109000E-04    0.154645E+00
  38   -0.280732E-06    0.253247E+03  0.110853E-08 0.100000E-04    0.901279E+00
  39   -0.982113E-06    0.241561E+03  0.406569E-08 0.100000E-04    0.852121E+00
  40   -0.180494E-05    0.240751E+03  0.749713E-08 0.100000E-04    0.929819E+00
  41   -0.183818E-05    0.233973E+03  0.785640E-08 0.100000E-04    0.894511E+00
  42   -0.183752E-05    0.227504E+03  0.807689E-08 0.100000E-04    0.972336E+00
  43   -0.139772E-06    0.217099E+03  0.643819E-09 0.100000E-04    0.821823E+00
  44   -0.259086E-05    0.214885E+03  0.120570E-07 0.100000E-04    0.939736E+00
  45    0.103570E-05    0.213275E+03 -0.485618E-08 0.100000E-04    0.914113E+00
  46    0.170701E-05    0.207651E+03 -0.822058E-08 0.100000E-04    0.911424E+00
  47   -0.107190E-05    0.203020E+03  0.527979E-08 0.100000E-04    0.925358E+00
  48   -0.733188E-06    0.195475E+03  0.375081E-08 0.100000E-04    0.834442E+00
  49    0.131004E-05    0.194823E+03 -0.672427E-08 0.100000E-04    0.923765E+00
  50    0.749939E-06    0.191339E+03 -0.391943E-08 0.100000E-04    0.812805E+00
  51   -0.152662E-06    0.182923E+03  0.834570E-09 0.100000E-04    0.619129E+00
  52    0.254240E-06    0.174320E+03 -0.145847E-08 0.100000E-04    0.548920E+00
  53    0.411401E-06    0.172325E+03 -0.238735E-08 0.100000E-04    0.817699E+00
  54   -0.693704E-06    0.168202E+03  0.412424E-08 0.100000E-04    0.844569E+00
  55    0.123775E-05    0.163239E+03 -0.758244E-08 0.100000E-04    0.918267E+00
  56    0.142187E-05    0.156886E+03 -0.906312E-08 0.100000E-04    0.986662E+00
  57    0.815242E-07    0.154886E+03 -0.526351E-09 0.100000E-04    0.409256E+00
  58    0.132797E-05    0.152264E+03 -0.872148E-08 0.100000E-04    0.914518E+00
  59    0.770668E-06    0.146697E+03 -0.525348E-08 0.100000E-04    0.967040E+00
  60    0.328206E-06    0.143368E+03 -0.228926E-08 0.100000E-04    0.696125E+00
  61    0.154565E-06    0.138066E+03 -0.111950E-08 0.100000E-04    0.366517E+00
  62   -0.109965E-05    0.135873E+03  0.809320E-08 0.100000E-04    0.957416E+00
  63   -0.133720E-05    0.130305E+03  0.102621E-07 0.100000E-04    0.890666E+00
  64   -0.105352E-05    0.128829E+03  0.817769E-08 0.100000E-04    0.792497E+00
  65   -0.603728E-06    0.126888E+03  0.475795E-08 0.100000E-04    0.589407E+00
  66   -0.354722E-06    0.124131E+03  0.285765E-08 0.100000E-04    0.834375E+00
  67   -0.202774E-05    0.120002E+03  0.168975E-07 0.100000E-04    0.970774E+00
  68    0.266688E-06    0.118161E+03 -0.225700E-08 0.100000E-04    0.770856E+00
  69   -0.223381E-06    0.116859E+03  0.191154E-08 0.100000E-04    0.745967E+00
  70    0.170440E-05    0.110351E+03 -0.154453E-07 0.100000E-04    0.938850E+00
  71   -0.480692E-06    0.106835E+03  0.449939E-08 0.100000E-04    0.896252E+00
  72    0.294460E-05    0.104441E+03 -0.281938E-07 0.100000E-04    0.859837E+00
  73    0.241467E-06    0.102852E+03 -0.234772E-08 0.100000E-04    0.687055E+00
  74   -0.422971E-06    0.995159E+02  0.425028E-08 0.100000E-04    0.800744E+00
  75    0.164901E-05    0.961004E+02 -0.171593E-07 0.100000E-04    0.819145E+00
  76    0.238740E-06    0.941145E+02 -0.253669E-08 0.100000E-04    0.965782E+00
  77   -0.273215E-05    0.919900E+02  0.297005E-07 0.100000E-04    0.886182E+00
  78   -0.326472E-06    0.912201E+02  0.357894E-08 0.109000E-04    0.881094E-01
  79    0.632220E-06    0.884454E+02 -0.714814E-08 0.100000E-04    0.984509E+00
  80    0.565981E-06    0.855934E+02 -0.661243E-08 0.100000E-04    0.937497E+00
  81   -0.178188E-05    0.808310E+02  0.220445E-07 0.100000E-04    0.925756E+00
  82    0.130827E-05    0.804671E+02 -0.162584E-07 0.100000E-04    0.978821E+00
  83    0.349906E-06    0.779677E+02 -0.448783E-08 0.100000E-04    0.969658E+00
  84    0.124866E-05    0.732953E+02 -0.170360E-07 0.100000E-04    0.756104E+00
  85   -0.136755E-05    0.725849E+02  0.188407E-07 0.100000E-04    0.893246E+00
  86   -0.115489E-06    0.679321E+02  0.170007E-08 0.100000E-04    0.377740E+00
  87    0.729799E-06    0.647772E+02 -0.112663E-07 0.100000E-04    0.654674E+00
  88    0.177374E-05    0.613741E+02 -0.289004E-07 0.100000E-04    0.936194E+00
  89   -0.231834E-05    0.598482E+02  0.387370E-07 0.100000E-04    0.966484E+00
  90   -0.243669E-05    0.593952E+02  0.410250E-07 0.100000E-04    0.965518E+00
  91   -0.835714E-06    0.581389E+02  0.143744E-07 0.100000E-04    0.428905E+00
  92   -0.354052E-05    0.558855E+02  0.633532E-07 0.100000E-04    0.976391E+00
  93   -0.364892E-05    0.524511E+02  0.695680E-07 0.100000E-04    0.960650E+00
  94   -0.176059E-05    0.520487E+02  0.338259E-07 0.100000E-04    0.861624E+00
  95    0.142056E-05    0.502115E+02 -0.282916E-07 0.100000E-04    0.943453E+00
  96    0.235127E-06    0.461796E+02 -0.509158E-08 0.100000E-04    0.449874E+01
  97    0.160322E-05    0.433123E+02 -0.370154E-07 0.100000E-04    0.685955E+00
  98    0.992664E-06    0.409107E+02 -0.242642E-07 0.100000E-04    0.704719E+00
  99    0.880550E-06    0.378700E+02 -0.232519E-07 0.100000E-04    0.563235E+00
 100    0.971380E-07    0.362246E+02 -0.268155E-08 0.109000E-04    0.182598E+00
 101   -0.794255E-05    0.322877E+02  0.245993E-06 0.100000E-04    0.935744E+00
 102    0.297994E-05    0.288853E+02 -0.103165E-06 0.100000E-04    0.794368E+00
 103    0.305778E-05    0.284497E+02 -0.107480E-06 0.100000E-04    0.967142E+00
 104   -0.625772E-05    0.262858E+02  0.238064E-06 0.100000E-04    0.861623E+00
 105    0.274684E-05    0.233377E+02 -0.117700E-06 0.100000E-04    0.632925E+00
 106    0.404091E-05    0.213152E+02 -0.189579E-06 0.100000E-04    0.887980E+00
 107    0.144938E-04    0.198591E+02 -0.729834E-06 0.100000E-04    0.930480E+00
 108    0.171486E-04    0.164609E+02 -0.104178E-05 0.100000E-04    0.932040E+00
 109    0.676440E-05    0.139057E+02 -0.486446E-06 0.100000E-04    0.971729E+00
 110   -0.183817E-05    0.122425E+02  0.150147E-06 0.846771E-04    0.682453E+02
 111    0.135839E-05    0.100939E+02 -0.134575E-06 0.100000E-04    0.757112E+00
 112    0.344446E-01    0.898734E+01 -0.100000E-04 0.100000E-04    0.560137E+00
 113    0.903595E-01    0.573788E+01 -0.167710E-04 0.167710E-04    0.174214E-01
 114    0.913085E+00    0.318397E+01  0.145694E-04 0.145694E-04    0.378870E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1677100111E-04    0.2664205930    

 Beginning of optimization cycle  557.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997895062
 potential> RMS force:                                               0.0859995816   |gradient|=.9182242628    
 Eigenvalues of the Hessian matrix:
   746.47878    674.12042    630.53687    600.83927    586.39718    578.87453 
   565.10709    487.47025    460.67529    459.80026    441.69547    429.31917 
   421.93511    408.02613    396.36482    387.53984    370.00636    360.55988 
   349.38191    335.26586    329.25970    321.84175    319.09422    309.45106 
   300.84731    290.59790    278.92189    272.71302    268.52660    264.93727 
   263.80375    253.24655    241.56117    240.75162    233.97354    227.50376 
   217.09901    214.88491    213.27508    207.65156    203.01983    195.47387 
   194.82309    191.33892    182.92317    174.32102    172.32541    168.20199 
   163.23844    156.88549    154.88599    152.26419    146.69601    143.36729 
   138.06684    135.87311    130.30435    128.82906    126.88850    124.12965 
   120.00251    118.16079    116.85888    110.35093    106.83491    104.44153 
   102.85191     99.51586     96.10031     94.11430     91.98941     91.22032 
    88.44485     85.59371     80.83110     80.46771     77.96756     73.29524 
    72.58451     67.93189     64.77682     61.37346     59.84795     59.39533 
    58.13882     55.88533     52.45106     52.04838     50.21203     46.17914 
    43.31282     40.91086     37.87008     36.22448     32.28724     28.88557 
    28.44978     26.28596     23.33760     21.31548     19.85887     16.46075 
    13.90581     12.24248     10.09386      8.98866      5.73793      3.18364 
overlap for current and previous eigenvector    109 is         0.9999999916
overlap for current and previous eigenvector    110 is        -0.9999999992
overlap for current and previous eigenvector    111 is        -0.9999999849
overlap for current and previous eigenvector    112 is        -0.9999999558
overlap for current and previous eigenvector    113 is        -0.9999999466
overlap for current and previous eigenvector    114 is        -0.9999999757
J1,K1,R1,R2,RAT=   7   7    0.1193952396         1.880593002        0.8805930024    
FOB,PFOB,DIAG,PSTEP=   -0.2993426213E-06   -0.3399287323E-06     746.4787843        0.4553789577E-09
J1,K1,R1,R2,RAT=   8   8    0.3653216666E-01     1.963470344        0.9634678333    
FOB,PFOB,DIAG,PSTEP=   -0.4558598121E-06   -0.4731447949E-06     674.1204216        0.7018689626E-09
J1,K1,R1,R2,RAT=   9   9   -0.1274454585E-01     2.012735359        0.9872554541    
FOB,PFOB,DIAG,PSTEP=   -0.7029689241E-06   -0.6941226061E-06     630.5368661        0.1100848867E-08
J1,K1,R1,R2,RAT=  10  10    0.2876567541         1.712351769        0.7123432459    
FOB,PFOB,DIAG,PSTEP=    0.7322616744E-07    0.1027960072E-06     600.8392660       -0.1710866365E-09
J1,K1,R1,R2,RAT=  11  11    0.3787339774         1.621267599        0.6212660226    
FOB,PFOB,DIAG,PSTEP=   -0.3402415151E-07   -0.5476580713E-07     586.3971769        0.9339363511E-10
J1,K1,R1,R2,RAT= 109 109    0.2148249758E-01     1.978507909        0.9785079085    
FOB,PFOB,DIAG,PSTEP=    0.6619080735E-05    0.6764397587E-05     13.90580996       -0.4864463167E-06
J1,K1,R1,R2,RAT= 110 110     2.958873595       -0.9588774539        0.4112254613E-01
FOB,PFOB,DIAG,PSTEP=    0.3600744265E-05   -0.1838165454E-05     12.24248339        0.1501467424E-06
J1,K1,R1,R2,RAT= 111 111     1.752689778        0.2473222594        0.7526777406    
FOB,PFOB,DIAG,PSTEP=   -0.1022430922E-05    0.1358388650E-05     10.09385679       -0.1345749699E-06
J1,K1,R1,R2,RAT= 112 112     765.9735338        0.4270045539        0.5729954461    
FOB,PFOB,DIAG,PSTEP=   -0.3440617459E-01    0.3444455657E-01     8.988656672       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1878.927531       -0.9524790428        0.4752095722E-01
FOB,PFOB,DIAG,PSTEP=   -0.9045115469E-01    0.9035949690E-01     5.737926669       -0.1677100111E-04
J1,K1,R1,R2,RAT= 114 114    -39371.35166        0.5572687447        0.4427312553    
FOB,PFOB,DIAG,PSTEP=   -0.9131103984        0.9130845501         3.183638626        0.1456944630E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00000      0.00001     -0.00000     -0.00000     -0.00002     -0.00002 
     0.00001      0.00000     -0.00000     -0.03441     -0.09045     -0.91311 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3834333133
 Log product of positive Hessian eigenvalues =          519.0678531742
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1836386256
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000001
 Unscaled step for mode   11=        0.0000000001
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000000
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000007
 Unscaled step for mode   16=       -0.0000000000
 Unscaled step for mode   17=        0.0000000010
 Unscaled step for mode   18=        0.0000000007
 Unscaled step for mode   19=        0.0000000011
 Unscaled step for mode   20=        0.0000000007
 Unscaled step for mode   21=        0.0000000008
 Unscaled step for mode   22=        0.0000000020
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000015
 Unscaled step for mode   25=        0.0000000013
 Unscaled step for mode   26=        0.0000000019
 Unscaled step for mode   27=       -0.0000000001
 Unscaled step for mode   28=        0.0000000005
 Unscaled step for mode   29=       -0.0000000019
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000041
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=       -0.0000000011
 Unscaled step for mode   34=        0.0000000017
 Unscaled step for mode   35=       -0.0000000045
 Unscaled step for mode   36=       -0.0000000062
 Unscaled step for mode   37=        0.0000000009
 Unscaled step for mode   38=        0.0000000010
 Unscaled step for mode   39=        0.0000000034
 Unscaled step for mode   40=        0.0000000070
 Unscaled step for mode   41=        0.0000000070
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000005
 Unscaled step for mode   44=        0.0000000114
 Unscaled step for mode   45=       -0.0000000045
 Unscaled step for mode   46=       -0.0000000075
 Unscaled step for mode   47=        0.0000000049
 Unscaled step for mode   48=        0.0000000043
 Unscaled step for mode   49=       -0.0000000062
 Unscaled step for mode   50=       -0.0000000046
 Unscaled step for mode   51=        0.0000000003
 Unscaled step for mode   52=       -0.0000000019
 Unscaled step for mode   53=       -0.0000000019
 Unscaled step for mode   54=        0.0000000034
 Unscaled step for mode   55=       -0.0000000070
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000002
 Unscaled step for mode   58=       -0.0000000080
 Unscaled step for mode   59=       -0.0000000051
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=        0.0000000008
 Unscaled step for mode   62=        0.0000000078
 Unscaled step for mode   63=        0.0000000114
 Unscaled step for mode   64=        0.0000000061
 Unscaled step for mode   65=        0.0000000061
 Unscaled step for mode   66=        0.0000000033
 Unscaled step for mode   67=       -0.0000000165
 Unscaled step for mode   68=        0.0000000026
 Unscaled step for mode   69=        0.0000000013
 Unscaled step for mode   70=       -0.0000000146
 Unscaled step for mode   71=        0.0000000049
 Unscaled step for mode   72=       -0.0000000239
 Unscaled step for mode   73=        0.0000000014
 Unscaled step for mode   74=        0.0000000034
 Unscaled step for mode   75=       -0.0000000135
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=        0.0000000264
 Unscaled step for mode   78=       -0.0000000051
 Unscaled step for mode   79=       -0.0000000072
 Unscaled step for mode   80=       -0.0000000062
 Unscaled step for mode   81=        0.0000000205
 Unscaled step for mode   82=        0.0000000160
 Unscaled step for mode   83=        0.0000000046
 Unscaled step for mode   84=       -0.0000000117
 Unscaled step for mode   85=        0.0000000210
 Unscaled step for mode   86=        0.0000000009
 Unscaled step for mode   87=       -0.0000000055
 Unscaled step for mode   88=        0.0000000275
 Unscaled step for mode   89=        0.0000000380
 Unscaled step for mode   90=        0.0000000395
 Unscaled step for mode   91=       -0.0000000228
 Unscaled step for mode   92=       -0.0000000624
 Unscaled step for mode   93=        0.0000000673
 Unscaled step for mode   94=       -0.0000000288
 Unscaled step for mode   95=        0.0000000304
 Unscaled step for mode   96=       -0.0000000098
 Unscaled step for mode   97=        0.0000000462
 Unscaled step for mode   98=       -0.0000000146
 Unscaled step for mode   99=        0.0000000055
 Unscaled step for mode  100=        0.0000000086
 Unscaled step for mode  101=       -0.0000002634
 Unscaled step for mode  102=        0.0000000784
 Unscaled step for mode  103=        0.0000001036
 Unscaled step for mode  104=       -0.0000002021
 Unscaled step for mode  105=        0.0000001489
 Unscaled step for mode  106=        0.0000002089
 Unscaled step for mode  107=        0.0000007871
 Unscaled step for mode  108=        0.0000011175
 Unscaled step for mode  109=       -0.0000004760
 Unscaled step for mode  110=       -0.0000002941
 Unscaled step for mode  111=        0.0000001013
 Unscaled step for mode  112=        0.0038276766
 Unscaled step for mode  113=        0.0157598196
 Unscaled step for mode  114=       -0.2664508347
 Largest modulus ratio of non-zero e/values=           234.4734664    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.280700E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.172621E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.562484E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.633282E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.652007E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.371751E-14    0.974287E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.299343E-06    0.746479E+03  0.401006E-09 0.100000E-04    0.880593E+00
   8   -0.455860E-06    0.674120E+03  0.676229E-09 0.100000E-04    0.963468E+00
   9   -0.702969E-06    0.630537E+03  0.111487E-08 0.100000E-04    0.987255E+00
  10    0.732262E-07    0.600839E+03 -0.121873E-09 0.100000E-04    0.712343E+00
  11   -0.340242E-07    0.586397E+03  0.580224E-10 0.100000E-04    0.621266E+00
  12   -0.104122E-05    0.578875E+03  0.179870E-08 0.100000E-04    0.999511E+00
  13    0.201144E-07    0.565107E+03 -0.355939E-10 0.100000E-04    0.695000E+00
  14    0.475479E-06    0.487470E+03 -0.975402E-09 0.100000E-04    0.977759E+00
  15   -0.326285E-06    0.460675E+03  0.708276E-09 0.100000E-04    0.879289E+00
  16    0.892457E-08    0.459800E+03 -0.194097E-10 0.109000E-04    0.188887E+00
  17   -0.423134E-06    0.441695E+03  0.957976E-09 0.100000E-04    0.886769E+00
  18   -0.317515E-06    0.429319E+03  0.739578E-09 0.100000E-04    0.868504E+00
  19   -0.464481E-06    0.421935E+03  0.110083E-08 0.100000E-04    0.817865E+00
  20   -0.294284E-06    0.408026E+03  0.721238E-09 0.100000E-04    0.882020E+00
  21   -0.329582E-06    0.396365E+03  0.831513E-09 0.100000E-04    0.891017E+00
  22   -0.789874E-06    0.387540E+03  0.203817E-08 0.100000E-04    0.948322E+00
  23    0.726615E-06    0.370006E+03 -0.196379E-08 0.100000E-04    0.957145E+00
  24   -0.523969E-06    0.360560E+03  0.145321E-08 0.100000E-04    0.954923E+00
  25   -0.440372E-06    0.349382E+03  0.126043E-08 0.100000E-04    0.784324E+00
  26   -0.643749E-06    0.335266E+03  0.192012E-08 0.100000E-04    0.786388E+00
  27    0.428949E-07    0.329260E+03 -0.130277E-09 0.100000E-04    0.755955E+00
  28   -0.149002E-06    0.321842E+03  0.462967E-09 0.116669E-04    0.117485E+00
  29    0.606219E-06    0.319094E+03 -0.189981E-08 0.100000E-04    0.752132E+00
  30   -0.140580E-05    0.309451E+03  0.454288E-08 0.100000E-04    0.980849E+00
  31   -0.122928E-05    0.300847E+03  0.408606E-08 0.100000E-04    0.944371E+00
  32   -0.130670E-05    0.290598E+03  0.449661E-08 0.100000E-04    0.980815E+00
  33    0.295158E-06    0.278922E+03 -0.105821E-08 0.100000E-04    0.768133E+00
  34   -0.474771E-06    0.272713E+03  0.174092E-08 0.100000E-04    0.793863E+00
  35    0.121695E-05    0.268527E+03 -0.453197E-08 0.100000E-04    0.955062E+00
  36    0.165399E-05    0.264937E+03 -0.624297E-08 0.100000E-04    0.932594E+00
  37   -0.235002E-06    0.263804E+03  0.890822E-09 0.100000E-04    0.492978E+00
  38   -0.250635E-06    0.253247E+03  0.989687E-09 0.100000E-04    0.892791E+00
  39   -0.823842E-06    0.241561E+03  0.341049E-08 0.100000E-04    0.838846E+00
  40   -0.168741E-05    0.240752E+03  0.700891E-08 0.100000E-04    0.934876E+00
  41   -0.164131E-05    0.233974E+03  0.701496E-08 0.100000E-04    0.892895E+00
  42   -0.180226E-05    0.227504E+03  0.792188E-08 0.100000E-04    0.980808E+00
  43   -0.113448E-06    0.217099E+03  0.522565E-09 0.100000E-04    0.811662E+00
  44   -0.244860E-05    0.214885E+03  0.113949E-07 0.100000E-04    0.945090E+00
  45    0.949878E-06    0.213275E+03 -0.445377E-08 0.100000E-04    0.917133E+00
  46    0.155894E-05    0.207652E+03 -0.750749E-08 0.100000E-04    0.913252E+00
  47   -0.997944E-06    0.203020E+03  0.491550E-08 0.100000E-04    0.931002E+00
  48   -0.831938E-06    0.195474E+03  0.425600E-08 0.100000E-04    0.865315E+00
  49    0.121536E-05    0.194823E+03 -0.623828E-08 0.100000E-04    0.927725E+00
  50    0.877847E-06    0.191339E+03 -0.458792E-08 0.100000E-04    0.829442E+00
  51   -0.626533E-07    0.182923E+03  0.342511E-09 0.100000E-04    0.410402E+00
  52    0.330311E-06    0.174321E+03 -0.189484E-08 0.100000E-04    0.700794E+00
  53    0.329383E-06    0.172325E+03 -0.191140E-08 0.100000E-04    0.800636E+00
  54   -0.574604E-06    0.168202E+03  0.341615E-08 0.100000E-04    0.828310E+00
  55    0.114535E-05    0.163238E+03 -0.701644E-08 0.100000E-04    0.925351E+00
  56    0.141261E-05    0.156885E+03 -0.900406E-08 0.100000E-04    0.993481E+00
  57   -0.318967E-07    0.154886E+03  0.205937E-09 0.100000E-04    0.391250E+00
  58    0.122067E-05    0.152264E+03 -0.801678E-08 0.100000E-04    0.919199E+00
  59    0.746736E-06    0.146696E+03 -0.509036E-08 0.100000E-04    0.968946E+00
  60    0.195169E-06    0.143367E+03 -0.136132E-08 0.100000E-04    0.594655E+00
  61   -0.106000E-06    0.138067E+03  0.767743E-09 0.100000E-04    0.685788E+00
  62   -0.105959E-05    0.135873E+03  0.779838E-08 0.100000E-04    0.963571E+00
  63   -0.148088E-05    0.130304E+03  0.113648E-07 0.100000E-04    0.892549E+00
  64   -0.791501E-06    0.128829E+03  0.614381E-08 0.100000E-04    0.751288E+00
  65   -0.778686E-06    0.126888E+03  0.613677E-08 0.100000E-04    0.710205E+00
  66   -0.409577E-06    0.124130E+03  0.329959E-08 0.100000E-04    0.845356E+00
  67    0.198454E-05    0.120003E+03 -0.165375E-07 0.100000E-04    0.978692E+00
  68   -0.310402E-06    0.118161E+03  0.262694E-08 0.100000E-04    0.836089E+00
  69   -0.152786E-06    0.116859E+03  0.130744E-08 0.100000E-04    0.683971E+00
  70    0.161186E-05    0.110351E+03 -0.146066E-07 0.100000E-04    0.945698E+00
  71   -0.526252E-06    0.106835E+03  0.492584E-08 0.100000E-04    0.905220E+00
  72    0.249150E-05    0.104442E+03 -0.238554E-07 0.100000E-04    0.846121E+00
  73   -0.139839E-06    0.102852E+03  0.135962E-08 0.100000E-04    0.579123E+00
  74   -0.335973E-06    0.995159E+02  0.337608E-08 0.100000E-04    0.794318E+00
  75    0.129918E-05    0.961003E+02 -0.135190E-07 0.100000E-04    0.787856E+00
  76    0.236237E-06    0.941143E+02 -0.251011E-08 0.100000E-04    0.989518E+00
  77   -0.243230E-05    0.919894E+02  0.264411E-07 0.100000E-04    0.890251E+00
  78    0.468139E-06    0.912203E+02 -0.513196E-08 0.100000E-04    0.566065E+00
  79    0.638544E-06    0.884449E+02 -0.721969E-08 0.100000E-04    0.989996E+00
  80    0.532565E-06    0.855937E+02 -0.622201E-08 0.100000E-04    0.940953E+00
  81   -0.165671E-05    0.808311E+02  0.204959E-07 0.100000E-04    0.929752E+00
  82   -0.128891E-05    0.804677E+02  0.160177E-07 0.100000E-04    0.985186E+00
  83   -0.359552E-06    0.779676E+02  0.461156E-08 0.100000E-04    0.972433E+00
  84    0.860071E-06    0.732952E+02 -0.117343E-07 0.100000E-04    0.688796E+00
  85   -0.152505E-05    0.725845E+02  0.210107E-07 0.100000E-04    0.884830E+00
  86   -0.579051E-07    0.679319E+02  0.852400E-09 0.100000E-04    0.501390E+00
  87    0.356375E-06    0.647768E+02 -0.550159E-08 0.100000E-04    0.488316E+00
  88   -0.168917E-05    0.613735E+02  0.275228E-07 0.100000E-04    0.952323E+00
  89   -0.227329E-05    0.598480E+02  0.379844E-07 0.100000E-04    0.980567E+00
  90   -0.234789E-05    0.593953E+02  0.395299E-07 0.100000E-04    0.963554E+00
  91    0.132322E-05    0.581388E+02 -0.227597E-07 0.100000E-04    0.416655E+00
  92    0.348824E-05    0.558853E+02 -0.624178E-07 0.100000E-04    0.985232E+00
  93   -0.353169E-05    0.524511E+02  0.673330E-07 0.100000E-04    0.967873E+00
  94    0.149906E-05    0.520484E+02 -0.288014E-07 0.100000E-04    0.851453E+00
  95   -0.152667E-05    0.502120E+02  0.304046E-07 0.100000E-04    0.925305E+00
  96    0.450575E-06    0.461791E+02 -0.975711E-08 0.109000E-04    0.836886E-01
  97   -0.200004E-05    0.433128E+02  0.461766E-07 0.100000E-04    0.752491E+00
  98    0.597262E-06    0.409109E+02 -0.145991E-07 0.100000E-04    0.601669E+00
  99   -0.208252E-06    0.378701E+02  0.549911E-08 0.100000E-04    0.236501E+00
 100   -0.311262E-06    0.362245E+02  0.859258E-08 0.100000E-04    0.120433E+01
 101    0.850379E-05    0.322872E+02 -0.263379E-06 0.100000E-04    0.929335E+00
 102   -0.226573E-05    0.288856E+02  0.784382E-07 0.100000E-04    0.760311E+00
 103   -0.294692E-05    0.284498E+02  0.103583E-06 0.100000E-04    0.963744E+00
 104    0.531114E-05    0.262860E+02 -0.202052E-06 0.100000E-04    0.848725E+00
 105   -0.347554E-05    0.233376E+02  0.148924E-06 0.100000E-04    0.734714E+00
 106   -0.445185E-05    0.213155E+02  0.208855E-06 0.100000E-04    0.898307E+00
 107   -0.156318E-04    0.198589E+02  0.787144E-06 0.100000E-04    0.921486E+00
 108   -0.183957E-04    0.164608E+02  0.111755E-05 0.100000E-04    0.927275E+00
 109    0.661908E-05    0.139058E+02 -0.475994E-06 0.100000E-04    0.978508E+00
 110    0.360074E-05    0.122425E+02 -0.294119E-06 0.922980E-04    0.411225E-01
 111   -0.102243E-05    0.100939E+02  0.101292E-06 0.100000E-04    0.752678E+00
 112   -0.344062E-01    0.898866E+01  0.100000E-04 0.100000E-04    0.572995E+00
 113   -0.904512E-01    0.573793E+01  0.182804E-04 0.182804E-04    0.475210E-01
 114   -0.913110E+00    0.318364E+01 -0.131256E-04 0.131256E-04    0.442731E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1828039121E-04    0.2664508347    

 Beginning of optimization cycle  558.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997795169
 potential> RMS force:                                               0.0860021905   |gradient|=.9182521178    
 Eigenvalues of the Hessian matrix:
   746.48304    674.11944    630.53981    600.83677    586.39667    578.87505 
   565.10348    487.47031    460.67383    459.79963    441.69499    429.32017 
   421.93449    408.02459    396.36426    387.53834    370.00699    360.55996 
   349.38103    335.26641    329.26071    321.84165    319.09451    309.44990 
   300.84648    290.59806    278.92318    272.71352    268.52683    264.93761 
   263.80448    253.24583    241.56124    240.75215    233.97419    227.50386 
   217.09947    214.88508    213.27483    207.65205    203.01941    195.47300 
   194.82334    191.33935    182.92369    174.32167    172.32559    168.20223 
   163.23806    156.88519    154.88645    152.26407    146.69537    143.36697 
   138.06735    135.87310    130.30414    128.82927    126.88875    124.12862 
   120.00268    118.16093    116.85850    110.35112    106.83473    104.44179 
   102.85197     99.51580     96.10023     94.11413     91.98885     91.22053 
    88.44433     85.59400     80.83117     80.46833     77.96737     73.29514 
    72.58406     67.93169     64.77639     61.37290     59.84772     59.39547 
    58.13873     55.88516     52.45098     52.04806     50.21257     46.17870 
    43.31336     40.91101     37.87009     36.22429     32.28678     28.88588 
    28.44983     26.28613     23.33752     21.31577     19.85868     16.46062 
    13.90587     12.24251     10.09379      8.99005      5.73802      3.18333 
overlap for current and previous eigenvector    109 is         0.9999999907
overlap for current and previous eigenvector    110 is         0.9999999991
overlap for current and previous eigenvector    111 is         0.9999999829
overlap for current and previous eigenvector    112 is         0.9999999504
overlap for current and previous eigenvector    113 is         0.9999999407
overlap for current and previous eigenvector    114 is         0.9999999728
J1,K1,R1,R2,RAT=   7   7    0.1248419478         1.875146639        0.8751466389    
FOB,PFOB,DIAG,PSTEP=   -0.2619718921E-06   -0.2993426213E-06     746.4830442        0.4010062008E-09
J1,K1,R1,R2,RAT=   8   8    0.2848745389E-01     1.971515465        0.9715125461    
FOB,PFOB,DIAG,PSTEP=   -0.4428735457E-06   -0.4558598121E-06     674.1194376        0.6762290498E-09
J1,K1,R1,R2,RAT=   9   9   -0.1856465353E-01     2.018555302        0.9814353465    
FOB,PFOB,DIAG,PSTEP=   -0.7160193596E-06   -0.7029689241E-06     630.5398144        0.1114873629E-08
J1,K1,R1,R2,RAT=  10  10    0.4018251807         1.598183134        0.5981748193    
FOB,PFOB,DIAG,PSTEP=    0.4380217180E-07    0.7322616744E-07     600.8367682       -0.1218731391E-09
J1,K1,R1,R2,RAT=  11  11    0.5723026300         1.427699094        0.4276973700    
FOB,PFOB,DIAG,PSTEP=   -0.1455205690E-07   -0.3402415151E-07     586.3966716        0.5802236581E-10
J1,K1,R1,R2,RAT= 109 109    0.1767124281E-01     1.982319429        0.9823194293    
FOB,PFOB,DIAG,PSTEP=    0.6502112807E-05    0.6619080735E-05     13.90587482       -0.4759939014E-06
J1,K1,R1,R2,RAT= 110 110   -0.4930447165         2.493041169        0.5069552835    
FOB,PFOB,DIAG,PSTEP=    0.5376075349E-05    0.3600744265E-05     12.24250511       -0.2941187787E-06
J1,K1,R1,R2,RAT= 111 111    0.3130019687         1.687010993        0.6869980313    
FOB,PFOB,DIAG,PSTEP=   -0.7024101046E-06   -0.1022430922E-05     10.09379138        0.1012923942E-06
J1,K1,R1,R2,RAT= 112 112    0.4110731059         765.0171702        0.5889268941    
FOB,PFOB,DIAG,PSTEP=   -0.3436921893E-01   -0.3440617459E-01     8.990045741        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8976265193         1725.529989        0.1023734807    
FOB,PFOB,DIAG,PSTEP=   -0.9054530967E-01   -0.9045115469E-01     5.738020483        0.1828039121E-04
J1,K1,R1,R2,RAT= 114 114    0.4803670621        -43707.60434        0.5196329379    
FOB,PFOB,DIAG,PSTEP=   -0.9131304696       -0.9131103984         3.183325044       -0.1312562730E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00001     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000     -0.03437     -0.09055     -0.91313 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3834079443
 Log product of positive Hessian eigenvalues =          519.0678904634
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1833250439
 Unscaled step for mode    7=        0.0000000004
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=       -0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000008
 Unscaled step for mode   16=        0.0000000001
 Unscaled step for mode   17=        0.0000000011
 Unscaled step for mode   18=        0.0000000008
 Unscaled step for mode   19=        0.0000000009
 Unscaled step for mode   20=        0.0000000008
 Unscaled step for mode   21=        0.0000000009
 Unscaled step for mode   22=        0.0000000019
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000014
 Unscaled step for mode   25=        0.0000000009
 Unscaled step for mode   26=        0.0000000014
 Unscaled step for mode   27=       -0.0000000004
 Unscaled step for mode   28=        0.0000000007
 Unscaled step for mode   29=       -0.0000000013
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000039
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=       -0.0000000007
 Unscaled step for mode   34=        0.0000000013
 Unscaled step for mode   35=       -0.0000000044
 Unscaled step for mode   36=       -0.0000000059
 Unscaled step for mode   37=        0.0000000012
 Unscaled step for mode   38=        0.0000000009
 Unscaled step for mode   39=        0.0000000028
 Unscaled step for mode   40=        0.0000000066
 Unscaled step for mode   41=        0.0000000062
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000004
 Unscaled step for mode   44=        0.0000000108
 Unscaled step for mode   45=       -0.0000000041
 Unscaled step for mode   46=       -0.0000000069
 Unscaled step for mode   47=        0.0000000046
 Unscaled step for mode   48=        0.0000000048
 Unscaled step for mode   49=       -0.0000000058
 Unscaled step for mode   50=       -0.0000000053
 Unscaled step for mode   51=       -0.0000000001
 Unscaled step for mode   52=       -0.0000000023
 Unscaled step for mode   53=       -0.0000000015
 Unscaled step for mode   54=        0.0000000028
 Unscaled step for mode   55=       -0.0000000065
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000009
 Unscaled step for mode   58=       -0.0000000074
 Unscaled step for mode   59=       -0.0000000050
 Unscaled step for mode   60=       -0.0000000005
 Unscaled step for mode   61=        0.0000000026
 Unscaled step for mode   62=        0.0000000076
 Unscaled step for mode   63=        0.0000000126
 Unscaled step for mode   64=        0.0000000042
 Unscaled step for mode   65=        0.0000000075
 Unscaled step for mode   66=        0.0000000038
 Unscaled step for mode   67=       -0.0000000163
 Unscaled step for mode   68=        0.0000000030
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=       -0.0000000139
 Unscaled step for mode   71=        0.0000000054
 Unscaled step for mode   72=       -0.0000000198
 Unscaled step for mode   73=        0.0000000004
 Unscaled step for mode   74=        0.0000000026
 Unscaled step for mode   75=       -0.0000000101
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=       -0.0000000235
 Unscaled step for mode   78=        0.0000000066
 Unscaled step for mode   79=       -0.0000000073
 Unscaled step for mode   80=       -0.0000000059
 Unscaled step for mode   81=        0.0000000191
 Unscaled step for mode   82=        0.0000000159
 Unscaled step for mode   83=        0.0000000046
 Unscaled step for mode   84=       -0.0000000066
 Unscaled step for mode   85=        0.0000000233
 Unscaled step for mode   86=        0.0000000033
 Unscaled step for mode   87=        0.0000000001
 Unscaled step for mode   88=        0.0000000262
 Unscaled step for mode   89=        0.0000000375
 Unscaled step for mode   90=        0.0000000384
 Unscaled step for mode   91=       -0.0000000311
 Unscaled step for mode   92=       -0.0000000622
 Unscaled step for mode   93=        0.0000000657
 Unscaled step for mode   94=       -0.0000000241
 Unscaled step for mode   95=        0.0000000328
 Unscaled step for mode   96=       -0.0000000144
 Unscaled step for mode   97=        0.0000000556
 Unscaled step for mode   98=       -0.0000000053
 Unscaled step for mode   99=       -0.0000000118
 Unscaled step for mode  100=        0.0000000194
 Unscaled step for mode  101=       -0.0000002828
 Unscaled step for mode  102=        0.0000000548
 Unscaled step for mode  103=        0.0000001005
 Unscaled step for mode  104=       -0.0000001671
 Unscaled step for mode  105=        0.0000001802
 Unscaled step for mode  106=        0.0000002275
 Unscaled step for mode  107=        0.0000008528
 Unscaled step for mode  108=        0.0000012020
 Unscaled step for mode  109=       -0.0000004676
 Unscaled step for mode  110=       -0.0000004391
 Unscaled step for mode  111=        0.0000000696
 Unscaled step for mode  112=        0.0038229746
 Unscaled step for mode  113=        0.0157759588
 Unscaled step for mode  114=       -0.2664786826
 Largest modulus ratio of non-zero e/values=           234.4979020    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.115272E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.183669E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.961572E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.305311E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.149541E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.330433E-14    0.974287E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.261972E-06    0.746483E+03  0.350942E-09 0.100000E-04    0.875147E+00
   8   -0.442874E-06    0.674119E+03  0.656966E-09 0.100000E-04    0.971513E+00
   9   -0.716019E-06    0.630540E+03  0.113557E-08 0.100000E-04    0.981435E+00
  10    0.438022E-07    0.600837E+03 -0.729019E-10 0.100000E-04    0.598175E+00
  11   -0.145521E-07    0.586397E+03  0.248161E-10 0.100000E-04    0.427697E+00
  12   -0.104875E-05    0.578875E+03  0.181171E-08 0.100000E-04    0.992765E+00
  13    0.310860E-07    0.565103E+03 -0.550093E-10 0.100000E-04    0.454538E+00
  14    0.468770E-06    0.487470E+03 -0.961637E-09 0.100000E-04    0.985888E+00
  15   -0.361421E-06    0.460674E+03  0.784549E-09 0.100000E-04    0.892315E+00
  16   -0.289287E-07    0.459800E+03  0.629159E-10 0.100000E-04    0.124147E+01
  17   -0.468382E-06    0.441695E+03  0.106042E-08 0.100000E-04    0.893063E+00
  18   -0.354373E-06    0.429320E+03  0.825428E-09 0.100000E-04    0.883919E+00
  19   -0.367100E-06    0.421934E+03  0.870040E-09 0.100000E-04    0.790344E+00
  20   -0.325735E-06    0.408025E+03  0.798323E-09 0.100000E-04    0.893126E+00
  21   -0.362957E-06    0.396364E+03  0.915715E-09 0.100000E-04    0.898737E+00
  22   -0.752584E-06    0.387538E+03  0.194196E-08 0.100000E-04    0.952791E+00
  23    0.760919E-06    0.370007E+03 -0.205650E-08 0.100000E-04    0.952789E+00
  24   -0.502655E-06    0.360560E+03  0.139409E-08 0.100000E-04    0.959320E+00
  25   -0.327463E-06    0.349381E+03  0.937265E-09 0.100000E-04    0.743605E+00
  26   -0.477757E-06    0.335266E+03  0.142501E-08 0.100000E-04    0.742145E+00
  27    0.138841E-06    0.329261E+03 -0.421674E-09 0.100000E-04    0.123675E+01
  28   -0.218171E-06    0.321842E+03  0.677883E-09 0.105107E-04    0.535785E+00
  29    0.414617E-06    0.319095E+03 -0.129935E-08 0.100000E-04    0.683936E+00
  30   -0.139245E-05    0.309450E+03  0.449977E-08 0.100000E-04    0.990507E+00
  31   -0.117085E-05    0.300846E+03  0.389185E-08 0.100000E-04    0.952468E+00
  32   -0.129054E-05    0.290598E+03  0.444100E-08 0.100000E-04    0.987633E+00
  33    0.208129E-06    0.278923E+03 -0.746186E-09 0.100000E-04    0.705134E+00
  34   -0.356142E-06    0.272714E+03  0.130592E-08 0.100000E-04    0.750131E+00
  35    0.117115E-05    0.268527E+03 -0.436140E-08 0.100000E-04    0.962362E+00
  36    0.155027E-05    0.264938E+03 -0.585144E-08 0.100000E-04    0.937284E+00
  37   -0.312663E-06    0.263804E+03  0.118521E-08 0.100000E-04    0.669530E+00
  38   -0.222919E-06    0.253246E+03  0.880246E-09 0.100000E-04    0.889415E+00
  39   -0.675580E-06    0.241561E+03  0.279672E-08 0.100000E-04    0.820035E+00
  40   -0.158408E-05    0.240752E+03  0.657971E-08 0.100000E-04    0.938762E+00
  41   -0.146221E-05    0.233974E+03  0.624945E-08 0.100000E-04    0.890873E+00
  42   -0.178217E-05    0.227504E+03  0.783360E-08 0.100000E-04    0.988856E+00
  43   -0.907917E-07    0.217099E+03  0.418203E-09 0.100000E-04    0.800287E+00
  44   -0.232922E-05    0.214885E+03  0.108394E-07 0.100000E-04    0.951243E+00
  45    0.872568E-06    0.213275E+03 -0.409129E-08 0.100000E-04    0.918611E+00
  46    0.142674E-05    0.207652E+03 -0.687084E-08 0.100000E-04    0.915196E+00
  47   -0.934173E-06    0.203019E+03  0.460140E-08 0.100000E-04    0.936097E+00
  48   -0.935121E-06    0.195473E+03  0.478389E-08 0.100000E-04    0.875972E+00
  49    0.113572E-05    0.194823E+03 -0.582946E-08 0.100000E-04    0.934465E+00
  50    0.101416E-05    0.191339E+03 -0.530031E-08 0.100000E-04    0.844722E+00
  51    0.229841E-07    0.182924E+03 -0.125649E-09 0.100000E-04    0.366842E+00
  52    0.406011E-06    0.174322E+03 -0.232909E-08 0.100000E-04    0.770822E+00
  53    0.252510E-06    0.172326E+03 -0.146531E-08 0.100000E-04    0.766615E+00
  54   -0.466369E-06    0.168202E+03  0.277267E-08 0.100000E-04    0.811633E+00
  55    0.106425E-05    0.163238E+03 -0.651963E-08 0.100000E-04    0.929191E+00
  56    0.140926E-05    0.156885E+03 -0.898275E-08 0.100000E-04    0.997631E+00
  57   -0.140277E-06    0.154886E+03  0.905679E-09 0.100000E-04    0.239786E+01
  58    0.112628E-05    0.152264E+03 -0.739690E-08 0.100000E-04    0.922676E+00
  59    0.726417E-06    0.146695E+03 -0.495188E-08 0.100000E-04    0.972790E+00
  60    0.698081E-07    0.143367E+03 -0.486919E-09 0.100000E-04    0.357678E+00
  61   -0.362684E-06    0.138067E+03  0.262686E-08 0.100000E-04    0.142154E+01
  62   -0.102830E-05    0.135873E+03  0.756807E-08 0.100000E-04    0.970468E+00
  63   -0.163595E-05    0.130304E+03  0.125549E-07 0.100000E-04    0.895286E+00
  64   -0.540298E-06    0.128829E+03  0.419391E-08 0.100000E-04    0.682622E+00
  65   -0.954472E-06    0.126889E+03  0.752212E-08 0.100000E-04    0.774254E+00
  66   -0.468365E-06    0.124129E+03  0.377323E-08 0.100000E-04    0.856465E+00
  67    0.195701E-05    0.120003E+03 -0.163080E-07 0.100000E-04    0.986122E+00
  68   -0.353916E-06    0.118161E+03  0.299520E-08 0.100000E-04    0.859814E+00
  69   -0.851353E-07    0.116859E+03  0.728533E-09 0.100000E-04    0.557217E+00
  70    0.153837E-05    0.110351E+03 -0.139406E-07 0.100000E-04    0.954402E+00
  71   -0.574392E-06    0.106835E+03  0.537645E-08 0.100000E-04    0.908523E+00
  72    0.206485E-05    0.104442E+03 -0.197703E-07 0.100000E-04    0.828752E+00
  73   -0.433554E-07    0.102852E+03  0.421532E-09 0.100000E-04    0.310037E+00
  74   -0.253978E-06    0.995158E+02  0.255214E-08 0.100000E-04    0.755947E+00
  75    0.969277E-06    0.961002E+02 -0.100861E-07 0.100000E-04    0.746065E+00
  76    0.238296E-06    0.941141E+02 -0.253199E-08 0.100000E-04    0.991285E+00
  77    0.215820E-05    0.919889E+02 -0.234616E-07 0.100000E-04    0.887310E+00
  78   -0.600222E-06    0.912205E+02  0.657991E-08 0.100000E-04    0.717856E+00
  79    0.648179E-06    0.884443E+02 -0.732867E-08 0.100000E-04    0.984911E+00
  80    0.508000E-06    0.855940E+02 -0.593499E-08 0.100000E-04    0.953867E+00
  81   -0.154775E-05    0.808312E+02  0.191479E-07 0.100000E-04    0.934230E+00
  82   -0.128282E-05    0.804683E+02  0.159419E-07 0.100000E-04    0.995261E+00
  83   -0.361328E-06    0.779674E+02  0.463435E-08 0.100000E-04    0.995059E+00
  84    0.483849E-06    0.732951E+02 -0.660137E-08 0.100000E-04    0.562568E+00
  85   -0.169339E-05    0.725841E+02  0.233301E-07 0.100000E-04    0.889615E+00
  86   -0.226050E-06    0.679317E+02  0.332761E-08 0.100000E-04    0.190381E+01
  87   -0.901012E-08    0.647764E+02  0.139096E-09 0.109000E-04    0.252761E-01
  88   -0.161067E-05    0.613729E+02  0.262441E-07 0.100000E-04    0.953530E+00
  89   -0.224587E-05    0.598477E+02  0.375264E-07 0.100000E-04    0.987938E+00
  90   -0.227866E-05    0.593955E+02  0.383641E-07 0.100000E-04    0.970506E+00
  91    0.180735E-05    0.581387E+02 -0.310868E-07 0.100000E-04    0.634131E+00
  92    0.347435E-05    0.558852E+02 -0.621694E-07 0.100000E-04    0.996017E+00
  93   -0.344348E-05    0.524510E+02  0.656513E-07 0.100000E-04    0.975022E+00
  94    0.125435E-05    0.520481E+02 -0.240998E-07 0.100000E-04    0.836751E+00
  95   -0.164898E-05    0.502126E+02  0.328399E-07 0.100000E-04    0.919892E+00
  96    0.666817E-06    0.461787E+02 -0.144399E-07 0.100000E-04    0.520071E+00
  97   -0.240613E-05    0.433134E+02  0.555518E-07 0.100000E-04    0.796960E+00
  98    0.218681E-06    0.409110E+02 -0.534528E-08 0.100000E-04    0.366134E+00
  99    0.447388E-06    0.378701E+02 -0.118137E-07 0.109000E-04    0.148302E+00
 100   -0.701865E-06    0.362243E+02  0.193755E-07 0.100000E-04    0.254909E+00
 101    0.913056E-05    0.322868E+02 -0.282796E-06 0.100000E-04    0.926295E+00
 102   -0.158284E-05    0.288859E+02  0.547964E-07 0.100000E-04    0.698582E+00
 103   -0.285829E-05    0.284498E+02  0.100468E-06 0.100000E-04    0.969920E+00
 104    0.439140E-05    0.262861E+02 -0.167061E-06 0.100000E-04    0.826816E+00
 105   -0.420588E-05    0.233375E+02  0.180219E-06 0.100000E-04    0.789862E+00
 106   -0.484855E-05    0.213158E+02  0.227463E-06 0.100000E-04    0.910892E+00
 107   -0.169352E-04    0.198587E+02  0.852788E-06 0.100000E-04    0.916614E+00
 108   -0.197850E-04    0.164606E+02  0.120196E-05 0.100000E-04    0.924477E+00
 109    0.650211E-05    0.139059E+02 -0.467580E-06 0.100000E-04    0.982319E+00
 110    0.537608E-05    0.122425E+02 -0.439132E-06 0.831514E-04    0.506955E+00
 111   -0.702410E-06    0.100938E+02  0.695883E-07 0.100000E-04    0.686998E+00
 112   -0.343692E-01    0.899005E+01  0.100000E-04 0.100000E-04    0.588927E+00
 113   -0.905453E-01    0.573802E+01  0.199256E-04 0.199256E-04    0.102373E+00
 114   -0.913130E+00    0.318333E+01 -0.118249E-04 0.118249E-04    0.519633E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1992562642E-04    0.2664786826    

 Beginning of optimization cycle  559.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997708654
 potential> RMS force:                                               0.0860043254   |gradient|=.9182749128    
 Eigenvalues of the Hessian matrix:
   746.48721    674.11831    630.54283    600.83432    586.39612    578.87549 
   565.09968    487.47020    460.67241    459.79902    441.69444    429.32130 
   421.93386    408.02298    396.36369    387.53684    370.00757    360.56009 
   349.38020    335.26700    329.26169    321.84149    319.09496    309.44872 
   300.84574    290.59819    278.92456    272.71401    268.52705    264.93795 
   263.80520    253.24516    241.56138    240.75267    233.97491    227.50406 
   217.10004    214.88524    213.27457    207.65254    203.01899    195.47213 
   194.82364    191.33980    182.92431    174.32236    172.32580    168.20248 
   163.23769    156.88492    154.88694    152.26392    146.69473    143.36662 
   138.06786    135.87309    130.30390    128.82948    126.88899    124.12753 
   120.00286    118.16107    116.85810    110.35134    106.83455    104.44204 
   102.85203     99.51573     96.10009     94.11394     91.98835     91.22074 
    88.44381     85.59430     80.83124     80.46899     77.96717     73.29499 
    72.58356     67.93145     64.77593     61.37237     59.84750     59.39560 
    58.13866     55.88498     52.45089     52.04771     50.21314     46.17825 
    43.31392     40.91114     37.87008     36.22403     32.28634     28.88620 
    28.44988     26.28634     23.33743     21.31603     19.85854     16.46050 
    13.90594     12.24252     10.09372      8.99151      5.73816      3.18302 
overlap for current and previous eigenvector    109 is         0.9999999897
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999804
overlap for current and previous eigenvector    112 is         0.9999999443
overlap for current and previous eigenvector    113 is         0.9999999339
overlap for current and previous eigenvector    114 is         0.9999999693
J1,K1,R1,R2,RAT=   7   7    0.1319735986         1.868015232        0.8680152325    
FOB,PFOB,DIAG,PSTEP=   -0.2273983257E-06   -0.2619718921E-06     746.4872129        0.3509415172E-09
J1,K1,R1,R2,RAT=   8   8    0.2011490432E-01     1.979888451        0.9798850957    
FOB,PFOB,DIAG,PSTEP=   -0.4339652016E-06   -0.4428735457E-06     674.1183068        0.6569659929E-09
J1,K1,R1,R2,RAT=   9   9   -0.2421006136E-01     2.024200496        0.9757899386    
FOB,PFOB,DIAG,PSTEP=   -0.7333543152E-06   -0.7160193596E-06     630.5428301        0.1135565659E-08
J1,K1,R1,R2,RAT=  10  10    0.6760890225         1.323919115        0.3239109775    
FOB,PFOB,DIAG,PSTEP=    0.1418812477E-07    0.4380217180E-07     600.8343236       -0.7290194962E-10
J1,K1,R1,R2,RAT=  11  11     1.271846863        0.7281550291        0.2718449709    
FOB,PFOB,DIAG,PSTEP=    0.3955913507E-08   -0.1455205690E-07     586.3961169        0.2481606326E-10
J1,K1,R1,R2,RAT= 109 109    0.1353192391E-01     1.986458992        0.9864589923    
FOB,PFOB,DIAG,PSTEP=    0.6414126312E-05    0.6502112807E-05     13.90593798       -0.4675802775E-06
J1,K1,R1,R2,RAT= 110 110   -0.3363285416         2.336325340        0.6636714584    
FOB,PFOB,DIAG,PSTEP=    0.7184205825E-05    0.5376075349E-05     12.24252471       -0.4391319669E-06
J1,K1,R1,R2,RAT= 111 111    0.4344056984         1.565608145        0.5655943016    
FOB,PFOB,DIAG,PSTEP=   -0.3972812646E-06   -0.7024101046E-06     10.09372151        0.6958833192E-07
J1,K1,R1,R2,RAT= 112 112    0.3920149027         764.0895875        0.6079850973    
FOB,PFOB,DIAG,PSTEP=   -0.3433397087E-01   -0.3436921893E-01     8.991509756        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8510382668         1584.690881        0.1489617332    
FOB,PFOB,DIAG,PSTEP=   -0.9064261436E-01   -0.9054530967E-01     5.738160702        0.1992562642E-04
J1,K1,R1,R2,RAT= 114 114    0.3877658612        -48520.98559        0.6122341388    
FOB,PFOB,DIAG,PSTEP=   -0.9131450647       -0.9131304696         3.183021687       -0.1182488946E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000     -0.03433     -0.09064     -0.91315 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3833844941
 Log product of positive Hessian eigenvalues =          519.0679485651
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1830216869
 Unscaled step for mode    7=        0.0000000003
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=       -0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000001
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000007
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000019
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000006
 Unscaled step for mode   26=        0.0000000010
 Unscaled step for mode   27=       -0.0000000007
 Unscaled step for mode   28=        0.0000000009
 Unscaled step for mode   29=       -0.0000000007
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=       -0.0000000004
 Unscaled step for mode   34=        0.0000000009
 Unscaled step for mode   35=       -0.0000000042
 Unscaled step for mode   36=       -0.0000000055
 Unscaled step for mode   37=        0.0000000015
 Unscaled step for mode   38=        0.0000000008
 Unscaled step for mode   39=        0.0000000022
 Unscaled step for mode   40=        0.0000000062
 Unscaled step for mode   41=        0.0000000056
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000003
 Unscaled step for mode   44=        0.0000000104
 Unscaled step for mode   45=       -0.0000000038
 Unscaled step for mode   46=       -0.0000000063
 Unscaled step for mode   47=        0.0000000043
 Unscaled step for mode   48=        0.0000000053
 Unscaled step for mode   49=       -0.0000000055
 Unscaled step for mode   50=       -0.0000000061
 Unscaled step for mode   51=       -0.0000000006
 Unscaled step for mode   52=       -0.0000000028
 Unscaled step for mode   53=       -0.0000000010
 Unscaled step for mode   54=        0.0000000022
 Unscaled step for mode   55=       -0.0000000061
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000016
 Unscaled step for mode   58=       -0.0000000069
 Unscaled step for mode   59=       -0.0000000048
 Unscaled step for mode   60=        0.0000000003
 Unscaled step for mode   61=        0.0000000045
 Unscaled step for mode   62=        0.0000000074
 Unscaled step for mode   63=        0.0000000138
 Unscaled step for mode   64=        0.0000000023
 Unscaled step for mode   65=        0.0000000089
 Unscaled step for mode   66=        0.0000000043
 Unscaled step for mode   67=       -0.0000000162
 Unscaled step for mode   68=        0.0000000034
 Unscaled step for mode   69=        0.0000000002
 Unscaled step for mode   70=       -0.0000000134
 Unscaled step for mode   71=        0.0000000059
 Unscaled step for mode   72=       -0.0000000159
 Unscaled step for mode   73=       -0.0000000005
 Unscaled step for mode   74=        0.0000000018
 Unscaled step for mode   75=       -0.0000000068
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=       -0.0000000207
 Unscaled step for mode   78=        0.0000000079
 Unscaled step for mode   79=       -0.0000000075
 Unscaled step for mode   80=       -0.0000000057
 Unscaled step for mode   81=        0.0000000180
 Unscaled step for mode   82=        0.0000000160
 Unscaled step for mode   83=        0.0000000046
 Unscaled step for mode   84=       -0.0000000016
 Unscaled step for mode   85=        0.0000000258
 Unscaled step for mode   86=        0.0000000058
 Unscaled step for mode   87=        0.0000000057
 Unscaled step for mode   88=        0.0000000250
 Unscaled step for mode   89=        0.0000000373
 Unscaled step for mode   90=        0.0000000375
 Unscaled step for mode   91=       -0.0000000394
 Unscaled step for mode   92=       -0.0000000626
 Unscaled step for mode   93=        0.0000000645
 Unscaled step for mode   94=       -0.0000000197
 Unscaled step for mode   95=        0.0000000356
 Unscaled step for mode   96=       -0.0000000192
 Unscaled step for mode   97=        0.0000000652
 Unscaled step for mode   98=        0.0000000036
 Unscaled step for mode   99=       -0.0000000288
 Unscaled step for mode  100=        0.0000000298
 Unscaled step for mode  101=       -0.0000003043
 Unscaled step for mode  102=        0.0000000320
 Unscaled step for mode  103=        0.0000000981
 Unscaled step for mode  104=       -0.0000001328
 Unscaled step for mode  105=        0.0000002118
 Unscaled step for mode  106=        0.0000002457
 Unscaled step for mode  107=        0.0000009269
 Unscaled step for mode  108=        0.0000012952
 Unscaled step for mode  109=       -0.0000004613
 Unscaled step for mode  110=       -0.0000005868
 Unscaled step for mode  111=        0.0000000394
 Unscaled step for mode  112=        0.0038184322
 Unscaled step for mode  113=        0.0157925183
 Unscaled step for mode  114=       -0.2665044058
 Largest modulus ratio of non-zero e/values=           234.5215604    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.184314E-17    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.141293E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.786047E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.946617E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.464122E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.289179E-14    0.974287E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.227398E-06    0.746487E+03  0.304625E-09 0.100000E-04    0.868015E+00
   8   -0.433965E-06    0.674118E+03  0.643752E-09 0.100000E-04    0.979885E+00
   9   -0.733354E-06    0.630543E+03  0.116305E-08 0.100000E-04    0.975790E+00
  10    0.141881E-07    0.600834E+03 -0.236140E-10 0.100000E-04    0.323911E+00
  11    0.395591E-08    0.586396E+03 -0.674615E-11 0.100000E-04    0.271845E+00
  12   -0.106328E-05    0.578875E+03  0.183681E-08 0.100000E-04    0.986144E+00
  13    0.406197E-07    0.565100E+03 -0.718806E-10 0.100000E-04    0.693308E+00
  14    0.465875E-06    0.487470E+03 -0.955700E-09 0.100000E-04    0.993826E+00
  15   -0.396972E-06    0.460672E+03  0.861723E-09 0.100000E-04    0.901636E+00
  16   -0.667138E-07    0.459799E+03  0.145093E-09 0.100000E-04    0.306146E+00
  17   -0.516489E-06    0.441694E+03  0.116933E-08 0.100000E-04    0.897292E+00
  18   -0.391599E-06    0.429321E+03  0.912135E-09 0.100000E-04    0.894953E+00
  19   -0.274832E-06    0.421934E+03  0.651363E-09 0.100000E-04    0.748657E+00
  20   -0.357994E-06    0.408023E+03  0.877386E-09 0.100000E-04    0.900967E+00
  21   -0.397664E-06    0.396364E+03  0.100328E-08 0.100000E-04    0.904377E+00
  22   -0.720668E-06    0.387537E+03  0.185961E-08 0.100000E-04    0.957592E+00
  23    0.799940E-06    0.370008E+03 -0.216196E-08 0.100000E-04    0.948718E+00
  24   -0.484839E-06    0.360560E+03  0.134468E-08 0.100000E-04    0.964557E+00
  25   -0.221539E-06    0.349380E+03  0.634091E-09 0.100000E-04    0.676531E+00
  26   -0.319258E-06    0.335267E+03  0.952251E-09 0.100000E-04    0.668241E+00
  27    0.232101E-06    0.329262E+03 -0.704914E-09 0.100000E-04    0.328294E+00
  28   -0.287343E-06    0.321841E+03  0.892808E-09 0.100000E-04    0.682947E+00
  29    0.229370E-06    0.319095E+03 -0.718815E-09 0.100000E-04    0.553209E+00
  30   -0.139225E-05    0.309449E+03  0.449914E-08 0.100000E-04    0.999857E+00
  31   -0.112553E-05    0.300846E+03  0.374122E-08 0.100000E-04    0.961294E+00
  32   -0.128327E-05    0.290598E+03  0.441597E-08 0.100000E-04    0.994364E+00
  33    0.122525E-06    0.278925E+03 -0.439277E-09 0.100000E-04    0.588691E+00
  34   -0.241125E-06    0.272714E+03  0.884168E-09 0.100000E-04    0.677045E+00
  35    0.113615E-05    0.268527E+03 -0.423105E-08 0.100000E-04    0.970113E+00
  36    0.146046E-05    0.264938E+03 -0.551245E-08 0.100000E-04    0.942066E+00
  37   -0.389608E-06    0.263805E+03  0.147688E-08 0.100000E-04    0.753906E+00
  38   -0.197546E-06    0.253245E+03  0.780059E-09 0.100000E-04    0.886180E+00
  39   -0.535907E-06    0.241561E+03  0.221851E-08 0.100000E-04    0.793254E+00
  40   -0.149359E-05    0.240753E+03  0.620385E-08 0.100000E-04    0.942874E+00
  41   -0.129891E-05    0.233975E+03  0.555147E-08 0.100000E-04    0.888310E+00
  42   -0.177661E-05    0.227504E+03  0.780912E-08 0.100000E-04    0.996874E+00
  43   -0.714796E-07    0.217100E+03  0.329247E-09 0.100000E-04    0.787288E+00
  44   -0.223101E-05    0.214885E+03  0.103823E-07 0.100000E-04    0.957833E+00
  45    0.803261E-06    0.213275E+03 -0.376632E-08 0.100000E-04    0.920571E+00
  46    0.130868E-05    0.207653E+03 -0.630227E-08 0.100000E-04    0.917247E+00
  47   -0.879662E-06    0.203019E+03  0.433291E-08 0.100000E-04    0.941648E+00
  48   -0.104362E-05    0.195472E+03  0.533897E-08 0.100000E-04    0.883972E+00
  49    0.107005E-05    0.194824E+03 -0.549238E-08 0.100000E-04    0.942174E+00
  50    0.115971E-05    0.191340E+03 -0.606097E-08 0.100000E-04    0.856485E+00
  51    0.105012E-06    0.182924E+03 -0.574075E-09 0.100000E-04    0.256890E+01
  52    0.481895E-06    0.174322E+03 -0.276439E-08 0.100000E-04    0.813100E+00
  53    0.180089E-06    0.172326E+03 -0.104505E-08 0.100000E-04    0.713194E+00
  54   -0.367483E-06    0.168202E+03  0.218476E-08 0.100000E-04    0.787963E+00
  55    0.993309E-06    0.163238E+03 -0.608505E-08 0.100000E-04    0.933340E+00
  56    0.141164E-05    0.156885E+03 -0.899790E-08 0.100000E-04    0.998315E+00
  57   -0.245016E-06    0.154887E+03  0.158190E-08 0.100000E-04    0.253353E+00
  58    0.104356E-05    0.152264E+03 -0.685361E-08 0.100000E-04    0.926551E+00
  59    0.709390E-06    0.146695E+03 -0.483582E-08 0.100000E-04    0.976559E+00
  60   -0.493997E-07    0.143367E+03  0.344569E-09 0.100000E-04    0.707649E+00
  61   -0.617636E-06    0.138068E+03  0.447342E-08 0.100000E-04    0.297042E+00
  62   -0.100557E-05    0.135873E+03  0.740080E-08 0.100000E-04    0.977898E+00
  63   -0.180343E-05    0.130304E+03  0.138402E-07 0.100000E-04    0.897627E+00
  64   -0.297440E-06    0.128829E+03  0.230879E-08 0.100000E-04    0.550508E+00
  65   -0.113240E-05    0.126889E+03  0.892436E-08 0.100000E-04    0.813583E+00
  66   -0.531092E-06    0.124128E+03  0.427860E-08 0.100000E-04    0.866072E+00
  67    0.194430E-05    0.120003E+03 -0.162021E-07 0.100000E-04    0.993507E+00
  68   -0.397659E-06    0.118161E+03  0.336539E-08 0.100000E-04    0.876403E+00
  69   -0.196895E-07    0.116858E+03  0.168491E-09 0.100000E-04    0.231271E+00
  70    0.148321E-05    0.110351E+03 -0.134408E-07 0.100000E-04    0.964144E+00
  71   -0.625690E-06    0.106835E+03  0.585662E-08 0.100000E-04    0.910692E+00
  72    0.166054E-05    0.104442E+03 -0.158991E-07 0.100000E-04    0.804191E+00
  73    0.494350E-07    0.102852E+03 -0.480642E-09 0.100000E-04    0.859773E+00
  74   -0.175675E-06    0.995157E+02  0.176530E-08 0.100000E-04    0.691695E+00
  75    0.655452E-06    0.961001E+02 -0.682051E-08 0.100000E-04    0.676227E+00
  76    0.244674E-06    0.941139E+02 -0.259976E-08 0.100000E-04    0.973236E+00
  77    0.190561E-05    0.919884E+02 -0.207158E-07 0.100000E-04    0.882960E+00
  78   -0.724408E-06    0.912207E+02  0.794126E-08 0.100000E-04    0.793101E+00
  79    0.661318E-06    0.884438E+02 -0.747727E-08 0.100000E-04    0.979730E+00
  80    0.492012E-06    0.855943E+02 -0.574819E-08 0.100000E-04    0.968522E+00
  81   -0.145348E-05    0.808312E+02  0.179817E-07 0.100000E-04    0.939094E+00
  82   -0.128947E-05    0.804690E+02  0.160245E-07 0.100000E-04    0.994812E+00
  83   -0.355255E-06    0.779672E+02  0.455647E-08 0.100000E-04    0.983192E+00
  84    0.116144E-06    0.732950E+02 -0.158462E-08 0.100000E-04    0.240041E+00
  85   -0.187363E-05    0.725836E+02  0.258134E-07 0.100000E-04    0.893564E+00
  86   -0.391047E-06    0.679314E+02  0.575650E-08 0.100000E-04    0.270082E+00
  87   -0.368799E-06    0.647759E+02  0.569345E-08 0.100000E-04    0.389319E+02
  88   -0.153639E-05    0.613724E+02  0.250339E-07 0.100000E-04    0.953878E+00
  89   -0.223482E-05    0.598475E+02  0.373419E-07 0.100000E-04    0.995081E+00
  90   -0.222851E-05    0.593956E+02  0.375198E-07 0.100000E-04    0.977988E+00
  91    0.229151E-05    0.581387E+02 -0.394146E-07 0.100000E-04    0.732113E+00
  92    0.349780E-05    0.558850E+02 -0.625893E-07 0.100000E-04    0.993249E+00
  93   -0.338181E-05    0.524509E+02  0.644758E-07 0.100000E-04    0.982093E+00
  94    0.102448E-05    0.520477E+02 -0.196835E-07 0.100000E-04    0.816744E+00
  95   -0.178727E-05    0.502131E+02  0.355936E-07 0.100000E-04    0.916135E+00
  96    0.884970E-06    0.461783E+02 -0.191642E-07 0.100000E-04    0.672840E+00
  97   -0.282521E-05    0.433139E+02  0.652263E-07 0.100000E-04    0.825834E+00
  98   -0.148143E-06    0.409111E+02  0.362110E-08 0.100000E-04    0.677435E+00
  99    0.109221E-05    0.378701E+02 -0.288410E-07 0.100000E-04    0.441308E+00
 100   -0.107927E-05    0.362240E+02  0.297944E-07 0.100000E-04    0.462276E+00
 101    0.982411E-05    0.322863E+02 -0.304281E-06 0.100000E-04    0.924040E+00
 102   -0.924211E-06    0.288862E+02  0.319949E-07 0.100000E-04    0.583876E+00
 103   -0.279012E-05    0.284499E+02  0.980716E-07 0.100000E-04    0.976150E+00
 104    0.349058E-05    0.262863E+02 -0.132791E-06 0.100000E-04    0.794854E+00
 105   -0.494360E-05    0.233374E+02  0.211831E-06 0.100000E-04    0.824596E+00
 106   -0.523710E-05    0.213160E+02  0.245688E-06 0.100000E-04    0.919863E+00
 107   -0.184064E-04    0.198585E+02  0.926875E-06 0.100000E-04    0.913131E+00
 108   -0.213192E-04    0.164605E+02  0.129517E-05 0.100000E-04    0.922455E+00
 109    0.641413E-05    0.139059E+02 -0.461251E-06 0.100000E-04    0.986459E+00
 110    0.718421E-05    0.122425E+02 -0.586824E-06 0.749112E-04    0.663671E+00
 111   -0.397281E-06    0.100937E+02  0.393592E-07 0.100000E-04    0.565594E+00
 112   -0.343340E-01    0.899151E+01  0.100000E-04 0.100000E-04    0.607985E+00
 113   -0.906426E-01    0.573816E+01  0.217189E-04 0.217189E-04    0.148962E+00
 114   -0.913145E+00    0.318302E+01 -0.106531E-04 0.106531E-04    0.612234E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2171893279E-04    0.2665044058    

 Beginning of optimization cycle  560.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997634476
 potential> RMS force:                                               0.0860060167   |gradient|=.9182929700    
 Eigenvalues of the Hessian matrix:
   746.49133    674.11702    630.54593    600.83192    586.39551    578.87587 
   565.09566    487.46993    460.67099    459.79843    441.69382    429.32259 
   421.93322    408.02129    396.36310    387.53533    370.00810    360.56025 
   349.37942    335.26763    329.26265    321.84127    319.09556    309.44753 
   300.84509    290.59828    278.92604    272.71449    268.52729    264.93830 
   263.80592    253.24451    241.56160    240.75317    233.97570    227.50435 
   217.10070    214.88539    213.27428    207.65305    203.01855    195.47128 
   194.82400    191.34027    182.92502    174.32310    172.32603    168.20275 
   163.23734    156.88467    154.88746    152.26374    146.69409    143.36622 
   138.06840    135.87310    130.30363    128.82970    126.88921    124.12640 
   120.00304    118.16121    116.85767    110.35158    106.83436    104.44229 
   102.85209     99.51566     96.09990     94.11373     91.98790     91.22097 
    88.44328     85.59462     80.83131     80.46968     77.96695     73.29479 
    72.58299     67.93117     64.77545     61.37185     59.84728     59.39571 
    58.13859     55.88476     52.45078     52.04733     50.21374     46.17780 
    43.31450     40.91127     37.87004     36.22371     32.28593     28.88653 
    28.44993     26.28659     23.33734     21.31627     19.85842     16.46039 
    13.90600     12.24254     10.09365      8.99305      5.73835      3.18273 
overlap for current and previous eigenvector    109 is         0.9999999886
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999774
overlap for current and previous eigenvector    112 is         0.9999999372
overlap for current and previous eigenvector    113 is         0.9999999260
overlap for current and previous eigenvector    114 is         0.9999999652
J1,K1,R1,R2,RAT=   7   7    0.1412795881         1.858709391        0.8587093909    
FOB,PFOB,DIAG,PSTEP=   -0.1952714069E-06   -0.2273983257E-06     746.4913265        0.3046245425E-09
J1,K1,R1,R2,RAT=   8   8    0.1154876545E-01     1.988455056        0.9884512345    
FOB,PFOB,DIAG,PSTEP=   -0.4289534489E-06   -0.4339652016E-06     674.1170187        0.6437522868E-09
J1,K1,R1,R2,RAT=   9   9   -0.2959160550E-01     2.029581776        0.9704083945    
FOB,PFOB,DIAG,PSTEP=   -0.7550555534E-06   -0.7333543152E-06     630.5459289        0.1163052342E-08
J1,K1,R1,R2,RAT=  10  10     2.119790495       -0.1197825063        0.8802174937    
FOB,PFOB,DIAG,PSTEP=   -0.1588760713E-07    0.1418812477E-07     600.8319236       -0.2361403837E-10
J1,K1,R1,R2,RAT=  11  11    -4.479807257         6.479809339         3.479807257    
FOB,PFOB,DIAG,PSTEP=    0.2167762510E-07    0.3955913507E-08     586.3955067       -0.6746145468E-11
J1,K1,R1,R2,RAT= 109 109    0.9394814932E-02     1.990596326        0.9905963265    
FOB,PFOB,DIAG,PSTEP=    0.6353866515E-05    0.6414126312E-05     13.90599957       -0.4612508931E-06
J1,K1,R1,R2,RAT= 110 110   -0.2584354880         2.258432670        0.7415645120    
FOB,PFOB,DIAG,PSTEP=    0.9040862180E-05    0.7184205825E-05     12.24254196       -0.5868238778E-06
J1,K1,R1,R2,RAT= 111 111    0.7424771954         1.257537494        0.2575228046    
FOB,PFOB,DIAG,PSTEP=   -0.1023111520E-06   -0.3972812646E-06     10.09364737        0.3935924568E-07
J1,K1,R1,R2,RAT= 112 112    0.3697159797         763.1966547        0.6302840203    
FOB,PFOB,DIAG,PSTEP=   -0.3430072211E-01   -0.3433397087E-01     8.993054748        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8113291400         1455.390044        0.1886708600    
FOB,PFOB,DIAG,PSTEP=   -0.9074373091E-01   -0.9064261436E-01     5.738345714        0.2171893279E-04
J1,K1,R1,R2,RAT= 114 114    0.2762179211        -53864.00397        0.7237820789    
FOB,PFOB,DIAG,PSTEP=   -0.9131544301       -0.9131450647         3.182726020       -0.1065305357E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001     -0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000     -0.03430     -0.09074     -0.91315 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3833629646
 Log product of positive Hessian eigenvalues =          519.0680260362
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1827260203
 Unscaled step for mode    7=        0.0000000003
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000018
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000005
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=       -0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000005
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000052
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000007
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000059
 Unscaled step for mode   41=        0.0000000049
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000003
 Unscaled step for mode   44=        0.0000000100
 Unscaled step for mode   45=       -0.0000000035
 Unscaled step for mode   46=       -0.0000000058
 Unscaled step for mode   47=        0.0000000041
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000010
 Unscaled step for mode   52=       -0.0000000032
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000016
 Unscaled step for mode   55=       -0.0000000057
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000064
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000063
 Unscaled step for mode   62=        0.0000000073
 Unscaled step for mode   63=        0.0000000152
 Unscaled step for mode   64=        0.0000000005
 Unscaled step for mode   65=        0.0000000104
 Unscaled step for mode   66=        0.0000000048
 Unscaled step for mode   67=       -0.0000000162
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000131
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=       -0.0000000122
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=        0.0000000010
 Unscaled step for mode   75=       -0.0000000037
 Unscaled step for mode   76=       -0.0000000027
 Unscaled step for mode   77=       -0.0000000182
 Unscaled step for mode   78=        0.0000000092
 Unscaled step for mode   79=       -0.0000000077
 Unscaled step for mode   80=       -0.0000000057
 Unscaled step for mode   81=        0.0000000170
 Unscaled step for mode   82=        0.0000000163
 Unscaled step for mode   83=        0.0000000044
 Unscaled step for mode   84=        0.0000000034
 Unscaled step for mode   85=        0.0000000285
 Unscaled step for mode   86=        0.0000000082
 Unscaled step for mode   87=        0.0000000112
 Unscaled step for mode   88=        0.0000000239
 Unscaled step for mode   89=        0.0000000374
 Unscaled step for mode   90=        0.0000000370
 Unscaled step for mode   91=       -0.0000000478
 Unscaled step for mode   92=       -0.0000000637
 Unscaled step for mode   93=        0.0000000638
 Unscaled step for mode   94=       -0.0000000155
 Unscaled step for mode   95=        0.0000000387
 Unscaled step for mode   96=       -0.0000000240
 Unscaled step for mode   97=        0.0000000753
 Unscaled step for mode   98=        0.0000000124
 Unscaled step for mode   99=       -0.0000000457
 Unscaled step for mode  100=        0.0000000399
 Unscaled step for mode  101=       -0.0000003280
 Unscaled step for mode  102=        0.0000000098
 Unscaled step for mode  103=        0.0000000964
 Unscaled step for mode  104=       -0.0000000989
 Unscaled step for mode  105=        0.0000002440
 Unscaled step for mode  106=        0.0000002637
 Unscaled step for mode  107=        0.0000010099
 Unscaled step for mode  108=        0.0000013978
 Unscaled step for mode  109=       -0.0000004569
 Unscaled step for mode  110=       -0.0000007385
 Unscaled step for mode  111=        0.0000000101
 Unscaled step for mode  112=        0.0038140792
 Unscaled step for mode  113=        0.0158096174
 Unscaled step for mode  114=       -0.2665282503
 Largest modulus ratio of non-zero e/values=           234.5446393    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.482362E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.183615E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.609511E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.124792E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.641094E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.344427E-14    0.974287E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.195271E-06    0.746491E+03  0.261586E-09 0.100000E-04    0.858709E+00
   8   -0.428953E-06    0.674117E+03  0.636319E-09 0.100000E-04    0.988451E+00
   9   -0.755056E-06    0.630546E+03  0.119746E-08 0.100000E-04    0.970408E+00
  10   -0.158876E-07    0.600832E+03  0.264427E-10 0.100000E-04    0.880217E+00
  11    0.216776E-07    0.586396E+03 -0.369676E-10 0.100000E-04    0.347981E+01
  12   -0.108481E-05    0.578876E+03  0.187399E-08 0.100000E-04    0.979759E+00
  13    0.488155E-07    0.565096E+03 -0.863846E-10 0.100000E-04    0.798229E+00
  14    0.466713E-06    0.487470E+03 -0.957419E-09 0.100000E-04    0.998202E+00
  15   -0.433247E-06    0.460671E+03  0.940469E-09 0.100000E-04    0.908621E+00
  16   -0.104782E-06    0.459798E+03  0.227887E-09 0.100000E-04    0.429382E+00
  17   -0.567847E-06    0.441694E+03  0.128561E-08 0.100000E-04    0.900563E+00
  18   -0.429515E-06    0.429323E+03  0.100045E-08 0.100000E-04    0.903175E+00
  19   -0.186759E-06    0.421933E+03  0.442627E-09 0.100000E-04    0.679539E+00
  20   -0.391304E-06    0.408021E+03  0.959029E-09 0.100000E-04    0.906952E+00
  21   -0.433994E-06    0.396363E+03  0.109494E-08 0.100000E-04    0.908640E+00
  22   -0.693719E-06    0.387535E+03  0.179008E-08 0.100000E-04    0.962604E+00
  23    0.843933E-06    0.370008E+03 -0.228085E-08 0.100000E-04    0.945005E+00
  24   -0.470289E-06    0.360560E+03  0.130433E-08 0.100000E-04    0.969988E+00
  25   -0.121504E-06    0.349379E+03  0.347771E-09 0.100000E-04    0.548454E+00
  26   -0.166710E-06    0.335268E+03  0.497245E-09 0.100000E-04    0.522176E+00
  27    0.323542E-06    0.329263E+03 -0.982625E-09 0.100000E-04    0.606031E+00
  28   -0.357168E-06    0.321841E+03  0.110976E-08 0.100000E-04    0.756996E+00
  29    0.487163E-07    0.319096E+03 -0.152670E-09 0.100000E-04    0.212389E+00
  30   -0.140489E-05    0.309448E+03  0.453998E-08 0.100000E-04    0.990926E+00
  31   -0.109267E-05    0.300845E+03  0.363200E-08 0.100000E-04    0.970802E+00
  32   -0.128462E-05    0.290598E+03  0.442061E-08 0.100000E-04    0.998948E+00
  33    0.375317E-07    0.278926E+03 -0.134558E-09 0.100000E-04    0.306312E+00
  34   -0.128617E-06    0.272714E+03  0.471616E-09 0.100000E-04    0.533399E+00
  35    0.111140E-05    0.268527E+03 -0.413888E-08 0.100000E-04    0.978216E+00
  36    0.138348E-05    0.264938E+03 -0.522188E-08 0.100000E-04    0.947287E+00
  37   -0.466595E-06    0.263806E+03  0.176870E-08 0.100000E-04    0.802402E+00
  38   -0.174258E-06    0.253245E+03  0.688101E-09 0.100000E-04    0.882112E+00
  39   -0.403432E-06    0.241562E+03  0.167010E-08 0.100000E-04    0.752801E+00
  40   -0.141485E-05    0.240753E+03  0.587678E-08 0.100000E-04    0.947276E+00
  41   -0.114965E-05    0.233976E+03  0.491353E-08 0.100000E-04    0.885082E+00
  42   -0.178519E-05    0.227504E+03  0.784683E-08 0.100000E-04    0.995170E+00
  43   -0.552532E-07    0.217101E+03  0.254505E-09 0.100000E-04    0.772988E+00
  44   -0.215267E-05    0.214885E+03  0.100177E-07 0.100000E-04    0.964886E+00
  45    0.741173E-06    0.213274E+03 -0.347521E-08 0.100000E-04    0.922705E+00
  46    0.120346E-05    0.207653E+03 -0.579553E-08 0.100000E-04    0.919592E+00
  47   -0.833748E-06    0.203019E+03  0.410676E-08 0.100000E-04    0.947805E+00
  48   -0.115834E-05    0.195471E+03  0.592587E-08 0.100000E-04    0.890078E+00
  49    0.101753E-05    0.194824E+03 -0.522281E-08 0.100000E-04    0.950917E+00
  50    0.131557E-05    0.191340E+03 -0.687554E-08 0.100000E-04    0.865602E+00
  51    0.184217E-06    0.182925E+03 -0.100706E-08 0.100000E-04    0.245761E+00
  52    0.558645E-06    0.174323E+03 -0.320465E-08 0.100000E-04    0.840733E+00
  53    0.111382E-06    0.172326E+03 -0.646347E-09 0.100000E-04    0.618482E+00
  54   -0.276908E-06    0.168203E+03  0.164628E-08 0.100000E-04    0.753524E+00
  55    0.931638E-06    0.163237E+03 -0.570726E-08 0.100000E-04    0.937913E+00
  56    0.141963E-05    0.156885E+03 -0.904890E-08 0.100000E-04    0.994334E+00
  57   -0.347109E-06    0.154887E+03  0.224104E-08 0.100000E-04    0.583322E+00
  58    0.971479E-06    0.152264E+03 -0.638024E-08 0.100000E-04    0.930930E+00
  59    0.695433E-06    0.146694E+03 -0.474070E-08 0.100000E-04    0.980325E+00
  60   -0.163676E-06    0.143366E+03  0.114166E-08 0.100000E-04    0.131330E+01
  61   -0.873145E-06    0.138068E+03  0.632400E-08 0.100000E-04    0.586313E+00
  62   -0.991044E-06    0.135873E+03  0.729390E-08 0.100000E-04    0.985555E+00
  63   -0.198454E-05    0.130304E+03  0.152301E-07 0.100000E-04    0.899571E+00
  64   -0.606057E-07    0.128830E+03  0.470432E-09 0.100000E-04    0.203756E+00
  65   -0.131403E-05    0.126889E+03  0.103557E-07 0.100000E-04    0.839609E+00
  66   -0.598283E-06    0.124126E+03  0.481995E-08 0.100000E-04    0.873485E+00
  67    0.194601E-05    0.120003E+03 -0.162164E-07 0.100000E-04    0.999120E+00
  68   -0.442049E-06    0.118161E+03  0.374106E-08 0.100000E-04    0.888372E+00
  69    0.442031E-07    0.116858E+03 -0.378264E-09 0.100000E-04    0.245009E+00
  70    0.144554E-05    0.110352E+03 -0.130994E-07 0.100000E-04    0.974594E+00
  71   -0.680595E-06    0.106834E+03  0.637056E-08 0.100000E-04    0.912249E+00
  72    0.127457E-05    0.104442E+03 -0.122036E-07 0.100000E-04    0.767561E+00
  73    0.139408E-06    0.102852E+03 -0.135543E-08 0.100000E-04    0.820035E+00
  74   -0.100239E-06    0.995157E+02  0.100727E-08 0.100000E-04    0.570594E+00
  75    0.354611E-06    0.960999E+02 -0.369003E-08 0.100000E-04    0.541017E+00
  76    0.255324E-06    0.941137E+02 -0.271293E-08 0.100000E-04    0.956473E+00
  77    0.167174E-05    0.919879E+02 -0.181735E-07 0.100000E-04    0.877275E+00
  78   -0.841952E-06    0.912210E+02  0.922981E-08 0.100000E-04    0.837738E+00
  79    0.678056E-06    0.884433E+02 -0.766656E-08 0.100000E-04    0.974690E+00
  80    0.484355E-06    0.855946E+02 -0.565871E-08 0.100000E-04    0.984431E+00
  81   -0.137277E-05    0.808313E+02  0.169831E-07 0.100000E-04    0.944465E+00
  82   -0.130870E-05    0.804697E+02  0.162633E-07 0.100000E-04    0.985089E+00
  83   -0.341368E-06    0.779670E+02  0.437837E-08 0.100000E-04    0.960910E+00
  84   -0.246435E-06    0.732948E+02  0.336224E-08 0.109000E-04    0.121797E+00
  85   -0.206716E-05    0.725830E+02  0.284799E-07 0.100000E-04    0.896709E+00
  86   -0.554470E-06    0.679312E+02  0.816223E-08 0.100000E-04    0.582088E+00
  87   -0.726288E-06    0.647755E+02  0.112124E-07 0.109000E-04    0.306597E-01
  88   -0.146535E-05    0.613719E+02  0.238765E-07 0.100000E-04    0.953759E+00
  89   -0.223966E-05    0.598473E+02  0.374229E-07 0.100000E-04    0.997835E+00
  90   -0.219676E-05    0.593957E+02  0.369852E-07 0.100000E-04    0.985751E+00
  91    0.277977E-05    0.581386E+02 -0.478128E-07 0.100000E-04    0.786927E+00
  92    0.355808E-05    0.558848E+02 -0.636681E-07 0.100000E-04    0.982767E+00
  93   -0.334560E-05    0.524508E+02  0.637855E-07 0.100000E-04    0.989291E+00
  94    0.807087E-06    0.520473E+02 -0.155068E-07 0.100000E-04    0.787799E+00
  95   -0.194247E-05    0.502137E+02  0.386840E-07 0.100000E-04    0.913165E+00
  96    0.110667E-05    0.461778E+02 -0.239655E-07 0.100000E-04    0.749476E+00
  97   -0.326068E-05    0.433145E+02  0.752791E-07 0.100000E-04    0.845865E+00
  98   -0.506793E-06    0.409113E+02  0.123876E-07 0.100000E-04    0.142095E+01
  99    0.173215E-05    0.378700E+02 -0.457392E-07 0.100000E-04    0.414092E+00
 100   -0.144713E-05    0.362237E+02  0.399497E-07 0.100000E-04    0.659161E+00
 101    0.105890E-04    0.322859E+02 -0.327974E-06 0.100000E-04    0.922145E+00
 102   -0.283522E-06    0.288865E+02  0.981504E-08 0.100000E-04    0.306757E+00
 103   -0.274165E-05    0.284499E+02  0.963675E-07 0.100000E-04    0.982621E+00
 104    0.260039E-05    0.262866E+02 -0.989248E-07 0.100000E-04    0.744957E+00
 105   -0.569500E-05    0.233373E+02  0.244030E-06 0.100000E-04    0.848004E+00
 106   -0.562081E-05    0.213163E+02  0.263686E-06 0.100000E-04    0.926734E+00
 107   -0.200544E-04    0.198584E+02  0.100987E-05 0.100000E-04    0.910464E+00
 108   -0.230088E-04    0.164604E+02  0.139783E-05 0.100000E-04    0.920744E+00
 109    0.635387E-05    0.139060E+02 -0.456915E-06 0.100000E-04    0.990596E+00
 110    0.904086E-05    0.122425E+02 -0.738479E-06 0.674875E-04    0.741565E+00
 111   -0.102311E-06    0.100936E+02  0.101362E-07 0.100000E-04    0.257523E+00
 112   -0.343007E-01    0.899305E+01  0.100000E-04 0.100000E-04    0.630284E+00
 113   -0.907437E-01    0.573835E+01  0.236736E-04 0.236736E-04    0.188671E+00
 114   -0.913154E+00    0.318273E+01 -0.100000E-04 0.100000E-04    0.723782E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2367363675E-04    0.2665282503    

 Beginning of optimization cycle  561.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997568051
 potential> RMS force:                                               0.0860074091   |gradient|=.9183078375    
 Eigenvalues of the Hessian matrix:
   746.49549    674.11557    630.54915    600.82954    586.39483    578.87623 
   565.09139    487.46951    460.66958    459.79784    441.69312    429.32404 
   421.93259    408.01951    396.36250    387.53381    370.00859    360.56045 
   349.37868    335.26833    329.26360    321.84099    319.09632    309.44631 
   300.84450    290.59835    278.92764    272.71497    268.52755    264.93866 
   263.80666    253.24390    241.56189    240.75368    233.97656    227.50473 
   217.10147    214.88554    213.27397    207.65358    203.01810    195.47042 
   194.82442    191.34078    182.92582    174.32389    172.32627    168.20306 
   163.23698    156.88444    154.88801    152.26355    146.69343    143.36578 
   138.06896    135.87310    130.30332    128.82994    126.88941    124.12519 
   120.00322    118.16134    116.85721    110.35184    106.83415    104.44254 
   102.85216     99.51558     96.09968     94.11348     91.98748     91.22121 
    88.44273     85.59495     80.83139     80.47043     77.96672     73.29454 
    72.58236     67.93084     64.77494     61.37135     59.84705     59.39582 
    58.13852     55.88451     52.45066     52.04691     50.21437     46.17734 
    43.31510     40.91137     37.86998     36.22330     32.28553     28.88688 
    28.45000     26.28687     23.33725     21.31650     19.85833     16.46028 
    13.90606     12.24256     10.09357      8.99469      5.73857      3.18243 
overlap for current and previous eigenvector    109 is         0.9999999872
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999737
overlap for current and previous eigenvector    112 is         0.9999999291
overlap for current and previous eigenvector    113 is         0.9999999168
overlap for current and previous eigenvector    114 is         0.9999999600
J1,K1,R1,R2,RAT=   7   7    0.1078691563         1.892119680        0.8921196804    
FOB,PFOB,DIAG,PSTEP=   -0.1742075274E-06   -0.1952714069E-06     746.4954932        0.2615856339E-09
J1,K1,R1,R2,RAT=   8   8   -0.1550335476E-01     2.015507665        0.9844966452    
FOB,PFOB,DIAG,PSTEP=   -0.4356036520E-06   -0.4289534489E-06     674.1155658        0.6363189728E-09
J1,K1,R1,R2,RAT=   9   9   -0.4103571383E-01     2.041025509        0.9589642862    
FOB,PFOB,DIAG,PSTEP=   -0.7860399551E-06   -0.7550555534E-06     630.5491463        0.1197463212E-08
J1,K1,R1,R2,RAT=  10  10    -1.703459889         3.703467834        0.7034598885    
FOB,PFOB,DIAG,PSTEP=   -0.4295140109E-07   -0.1588760713E-07     600.8295367        0.2644268140E-10
J1,K1,R1,R2,RAT=  11  11   -0.6069053617         2.606907663        0.3930946383    
FOB,PFOB,DIAG,PSTEP=    0.3483387686E-07    0.2167762510E-07     586.3948319       -0.3696758391E-10
J1,K1,R1,R2,RAT= 109 109   -0.3978937538E-02     2.003970246        0.9960210625    
FOB,PFOB,DIAG,PSTEP=    0.6379148263E-05    0.6353866515E-05     13.90606000       -0.4569154833E-06
J1,K1,R1,R2,RAT= 110 110   -0.1926645360         2.192662169        0.8073354640    
FOB,PFOB,DIAG,PSTEP=    0.1078271776E-04    0.9040862180E-05     12.24255645       -0.7384791661E-06
J1,K1,R1,R2,RAT= 111 111     2.182664207       -0.1826488623        0.8173511377    
FOB,PFOB,DIAG,PSTEP=    0.1209980241E-06   -0.1023111520E-06     10.09356993        0.1013619242E-07
J1,K1,R1,R2,RAT= 112 112    0.3415187027         762.3470540        0.6584812973    
FOB,PFOB,DIAG,PSTEP=   -0.3427000358E-01   -0.3430072211E-01     8.994686256        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7825927727         1336.696102        0.2174072273    
FOB,PFOB,DIAG,PSTEP=   -0.9085004826E-01   -0.9074373091E-01     5.738565010        0.2367363675E-04
J1,K1,R1,R2,RAT= 114 114    0.1738633589        -57387.40823        0.8261366411    
FOB,PFOB,DIAG,PSTEP=   -0.9131599632       -0.9131544301         3.182430518       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03427     -0.09085     -0.91316 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3833431016
 Log product of positive Hessian eigenvalues =          519.0681163777
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1824305185
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000018
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000042
 Unscaled step for mode   36=       -0.0000000051
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000013
 Unscaled step for mode   40=        0.0000000057
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000081
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000100
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000077
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000036
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000092
 Unscaled step for mode   57=        0.0000000028
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=        0.0000000079
 Unscaled step for mode   62=        0.0000000074
 Unscaled step for mode   63=        0.0000000167
 Unscaled step for mode   64=       -0.0000000010
 Unscaled step for mode   65=        0.0000000117
 Unscaled step for mode   66=        0.0000000054
 Unscaled step for mode   67=       -0.0000000165
 Unscaled step for mode   68=        0.0000000041
 Unscaled step for mode   69=       -0.0000000008
 Unscaled step for mode   70=       -0.0000000132
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=       -0.0000000095
 Unscaled step for mode   73=       -0.0000000020
 Unscaled step for mode   74=        0.0000000004
 Unscaled step for mode   75=       -0.0000000014
 Unscaled step for mode   76=       -0.0000000029
 Unscaled step for mode   77=        0.0000000165
 Unscaled step for mode   78=       -0.0000000101
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000059
 Unscaled step for mode   81=        0.0000000166
 Unscaled step for mode   82=        0.0000000169
 Unscaled step for mode   83=        0.0000000039
 Unscaled step for mode   84=        0.0000000074
 Unscaled step for mode   85=        0.0000000312
 Unscaled step for mode   86=        0.0000000102
 Unscaled step for mode   87=        0.0000000159
 Unscaled step for mode   88=        0.0000000229
 Unscaled step for mode   89=        0.0000000381
 Unscaled step for mode   90=        0.0000000374
 Unscaled step for mode   91=       -0.0000000552
 Unscaled step for mode   92=       -0.0000000664
 Unscaled step for mode   93=        0.0000000646
 Unscaled step for mode   94=       -0.0000000126
 Unscaled step for mode   95=        0.0000000422
 Unscaled step for mode   96=       -0.0000000283
 Unscaled step for mode   97=        0.0000000849
 Unscaled step for mode   98=        0.0000000193
 Unscaled step for mode   99=       -0.0000000599
 Unscaled step for mode  100=        0.0000000480
 Unscaled step for mode  101=       -0.0000003545
 Unscaled step for mode  102=       -0.0000000075
 Unscaled step for mode  103=        0.0000000969
 Unscaled step for mode  104=       -0.0000000706
 Unscaled step for mode  105=        0.0000002736
 Unscaled step for mode  106=        0.0000002783
 Unscaled step for mode  107=        0.0000011059
 Unscaled step for mode  108=        0.0000015124
 Unscaled step for mode  109=       -0.0000004587
 Unscaled step for mode  110=       -0.0000008808
 Unscaled step for mode  111=       -0.0000000120
 Unscaled step for mode  112=        0.0038099724
 Unscaled step for mode  113=        0.0158275264
 Unscaled step for mode  114=       -0.2665511161
 Largest modulus ratio of non-zero e/values=           234.5677270    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.102414E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.110984E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.166483E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.223346E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.222017E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.315319E-14    0.974288E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174208E-06    0.746495E+03  0.233367E-09 0.100000E-04    0.892120E+00
   8   -0.435604E-06    0.674116E+03  0.646185E-09 0.100000E-04    0.984497E+00
   9   -0.786040E-06    0.630549E+03  0.124660E-08 0.100000E-04    0.958964E+00
  10   -0.429514E-07    0.600830E+03  0.714868E-10 0.100000E-04    0.703460E+00
  11    0.348339E-07    0.586395E+03 -0.594035E-10 0.100000E-04    0.393095E+00
  12   -0.112296E-05    0.578876E+03  0.193989E-08 0.100000E-04    0.964833E+00
  13    0.522314E-07    0.565091E+03 -0.924301E-10 0.100000E-04    0.930024E+00
  14    0.477315E-06    0.487470E+03 -0.979169E-09 0.100000E-04    0.977284E+00
  15   -0.466282E-06    0.460670E+03  0.101218E-08 0.100000E-04    0.923749E+00
  16   -0.137947E-06    0.459798E+03  0.300018E-09 0.100000E-04    0.683480E+00
  17   -0.620685E-06    0.441693E+03  0.140524E-08 0.100000E-04    0.906950E+00
  18   -0.464114E-06    0.429324E+03  0.108103E-08 0.100000E-04    0.919449E+00
  19   -0.122859E-06    0.421933E+03  0.291183E-09 0.100000E-04    0.657850E+00
  20   -0.422988E-06    0.408020E+03  0.103668E-08 0.100000E-04    0.919030E+00
  21   -0.470155E-06    0.396362E+03  0.118617E-08 0.100000E-04    0.916680E+00
  22   -0.683622E-06    0.387534E+03  0.176403E-08 0.100000E-04    0.985445E+00
  23    0.895817E-06    0.370009E+03 -0.242107E-08 0.100000E-04    0.938521E+00
  24   -0.467104E-06    0.360560E+03  0.129549E-08 0.100000E-04    0.993226E+00
  25   -0.515012E-07    0.349379E+03  0.147408E-09 0.100000E-04    0.423863E+00
  26   -0.516163E-07    0.335268E+03  0.153955E-09 0.100000E-04    0.309615E+00
  27    0.397419E-06    0.329264E+03 -0.120699E-08 0.100000E-04    0.771663E+00
  28   -0.419586E-06    0.321841E+03  0.130371E-08 0.100000E-04    0.825241E+00
  29   -0.959550E-07    0.319096E+03  0.300709E-09 0.109000E-04    0.303320E-01
  30   -0.145107E-05    0.309446E+03  0.468924E-08 0.100000E-04    0.967127E+00
  31   -0.109825E-05    0.300844E+03  0.365056E-08 0.100000E-04    0.994890E+00
  32   -0.130918E-05    0.290598E+03  0.450511E-08 0.100000E-04    0.980885E+00
  33   -0.340822E-07    0.278928E+03  0.122190E-09 0.100000E-04    0.908080E+00
  34   -0.387581E-07    0.272715E+03  0.142119E-09 0.100000E-04    0.301344E+00
  35    0.111915E-05    0.268528E+03 -0.416772E-08 0.100000E-04    0.993032E+00
  36    0.135133E-05    0.264939E+03 -0.510054E-08 0.100000E-04    0.976762E+00
  37   -0.532878E-06    0.263807E+03  0.201996E-08 0.100000E-04    0.857943E+00
  38   -0.160168E-06    0.253244E+03  0.632465E-09 0.100000E-04    0.919142E+00
  39   -0.309250E-06    0.241562E+03  0.128021E-08 0.100000E-04    0.766547E+00
  40   -0.137842E-05    0.240754E+03  0.572544E-08 0.100000E-04    0.974246E+00
  41   -0.105906E-05    0.233977E+03  0.452634E-08 0.100000E-04    0.921196E+00
  42   -0.183168E-05    0.227505E+03  0.805118E-08 0.100000E-04    0.973956E+00
  43   -0.493820E-07    0.217101E+03  0.227460E-09 0.100000E-04    0.893732E+00
  44   -0.214003E-05    0.214886E+03  0.995892E-08 0.100000E-04    0.994127E+00
  45    0.707760E-06    0.213274E+03 -0.331855E-08 0.100000E-04    0.954918E+00
  46    0.114837E-05    0.207654E+03 -0.553022E-08 0.100000E-04    0.954218E+00
  47   -0.817840E-06    0.203018E+03  0.402841E-08 0.100000E-04    0.980919E+00
  48   -0.127572E-05    0.195470E+03  0.652641E-08 0.100000E-04    0.898661E+00
  49    0.100865E-05    0.194824E+03 -0.517722E-08 0.100000E-04    0.991270E+00
  50    0.147749E-05    0.191341E+03 -0.772177E-08 0.100000E-04    0.876918E+00
  51    0.245669E-06    0.182926E+03 -0.134300E-08 0.100000E-04    0.666417E+00
  52    0.627717E-06    0.174324E+03 -0.360087E-08 0.100000E-04    0.876359E+00
  53    0.627222E-07    0.172326E+03 -0.363974E-09 0.100000E-04    0.563123E+00
  54   -0.223591E-06    0.168203E+03  0.132929E-08 0.100000E-04    0.807452E+00
  55    0.903507E-06    0.163237E+03 -0.553494E-08 0.100000E-04    0.969805E+00
  56    0.144137E-05    0.156884E+03 -0.918747E-08 0.100000E-04    0.984688E+00
  57   -0.427173E-06    0.154888E+03  0.275795E-08 0.100000E-04    0.769340E+00
  58    0.939303E-06    0.152264E+03 -0.616893E-08 0.100000E-04    0.966880E+00
  59    0.692508E-06    0.146693E+03 -0.472079E-08 0.100000E-04    0.995795E+00
  60   -0.247411E-06    0.143366E+03  0.172573E-08 0.100000E-04    0.488403E+00
  61   -0.109301E-05    0.138069E+03  0.791638E-08 0.100000E-04    0.748196E+00
  62   -0.100204E-05    0.135873E+03  0.737479E-08 0.100000E-04    0.988909E+00
  63   -0.217737E-05    0.130303E+03  0.167100E-07 0.100000E-04    0.902833E+00
  64    0.126776E-06    0.128830E+03 -0.984055E-09 0.109000E-04    0.918116E-01
  65   -0.147953E-05    0.126889E+03  0.116600E-07 0.100000E-04    0.874051E+00
  66   -0.668062E-06    0.124125E+03  0.538217E-08 0.100000E-04    0.883366E+00
  67    0.198547E-05    0.120003E+03 -0.165452E-07 0.100000E-04    0.979724E+00
  68   -0.482391E-06    0.118161E+03  0.408248E-08 0.100000E-04    0.908738E+00
  69    0.949686E-07    0.116857E+03 -0.812689E-09 0.109000E-04    0.148465E+00
  70    0.146172E-05    0.110352E+03 -0.132460E-07 0.100000E-04    0.988805E+00
  71   -0.738351E-06    0.106834E+03  0.691119E-08 0.100000E-04    0.915138E+00
  72    0.992724E-06    0.104443E+03 -0.950498E-08 0.100000E-04    0.778865E+00
  73    0.210422E-06    0.102852E+03 -0.204587E-08 0.100000E-04    0.490608E+00
  74   -0.414178E-07    0.995156E+02  0.416194E-09 0.100000E-04    0.413188E+00
  75    0.133440E-06    0.960997E+02 -0.138856E-08 0.100000E-04    0.376298E+00
  76    0.276050E-06    0.941135E+02 -0.293317E-08 0.100000E-04    0.918823E+00
  77   -0.151749E-05    0.919875E+02  0.164967E-07 0.100000E-04    0.907726E+00
  78    0.925438E-06    0.912212E+02 -0.101450E-07 0.100000E-04    0.900843E+00
  79    0.704692E-06    0.884427E+02 -0.796778E-08 0.100000E-04    0.960716E+00
  80    0.501973E-06    0.855950E+02 -0.586452E-08 0.100000E-04    0.963627E+00
  81   -0.134010E-05    0.808314E+02  0.165789E-07 0.100000E-04    0.976201E+00
  82   -0.135869E-05    0.804704E+02  0.168843E-07 0.100000E-04    0.961808E+00
  83   -0.306836E-06    0.779667E+02  0.393547E-08 0.100000E-04    0.898840E+00
  84   -0.544654E-06    0.732945E+02  0.743102E-08 0.100000E-04    0.210139E+00
  85   -0.226664E-05    0.725824E+02  0.312285E-07 0.100000E-04    0.903499E+00
  86   -0.693266E-06    0.679308E+02  0.102055E-07 0.100000E-04    0.749676E+00
  87   -0.102739E-05    0.647749E+02  0.158609E-07 0.100000E-04    0.585417E+00
  88   -0.140812E-05    0.613713E+02  0.229443E-07 0.100000E-04    0.960950E+00
  89   -0.228309E-05    0.598471E+02  0.381488E-07 0.100000E-04    0.980607E+00
  90   -0.222226E-05    0.593958E+02  0.374145E-07 0.100000E-04    0.988392E+00
  91    0.321195E-05    0.581385E+02 -0.552466E-07 0.100000E-04    0.844524E+00
  92    0.371286E-05    0.558845E+02 -0.664381E-07 0.100000E-04    0.956498E+00
  93   -0.338643E-05    0.524507E+02  0.645642E-07 0.100000E-04    0.987795E+00
  94    0.657408E-06    0.520469E+02 -0.126311E-07 0.100000E-04    0.814543E+00
  95   -0.211872E-05    0.502144E+02  0.421935E-07 0.100000E-04    0.909266E+00
  96    0.130613E-05    0.461773E+02 -0.282852E-07 0.100000E-04    0.819765E+00
  97   -0.367773E-05    0.433151E+02  0.849064E-07 0.100000E-04    0.872097E+00
  98   -0.790131E-06    0.409114E+02  0.193132E-07 0.100000E-04    0.440921E+00
  99    0.226778E-05    0.378700E+02 -0.598834E-07 0.100000E-04    0.690766E+00
 100   -0.173920E-05    0.362233E+02  0.480132E-07 0.100000E-04    0.798170E+00
 101    0.114457E-04    0.322855E+02 -0.354516E-06 0.100000E-04    0.919086E+00
 102    0.218038E-06    0.288869E+02 -0.754798E-08 0.100000E-04    0.769010E+00
 103   -0.275574E-05    0.284500E+02  0.968625E-07 0.100000E-04    0.994861E+00
 104    0.185669E-05    0.262869E+02 -0.706319E-07 0.100000E-04    0.713985E+00
 105   -0.638425E-05    0.233372E+02  0.273565E-06 0.100000E-04    0.878973E+00
 106   -0.593196E-05    0.213165E+02  0.278280E-06 0.100000E-04    0.944644E+00
 107   -0.219616E-04    0.198583E+02  0.110591E-05 0.100000E-04    0.904901E+00
 108   -0.248951E-04    0.164603E+02  0.151243E-05 0.100000E-04    0.918022E+00
 109    0.637915E-05    0.139061E+02 -0.458732E-06 0.100000E-04    0.996021E+00
 110    0.107827E-04    0.122426E+02 -0.880757E-06 0.607996E-04    0.807335E+00
 111    0.120998E-06    0.100936E+02 -0.119876E-07 0.100000E-04    0.817351E+00
 112   -0.342700E-01    0.899469E+01  0.100000E-04 0.100000E-04    0.658481E+00
 113   -0.908500E-01    0.573857E+01  0.213276E-04 0.213276E-04    0.217407E+00
 114   -0.913160E+00    0.318243E+01 -0.100000E-04 0.100000E-04    0.826137E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2132760067E-04    0.2665511161    

 Beginning of optimization cycle  562.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997499520
 potential> RMS force:                                               0.0860089247   |gradient|=.9183240196    
 Eigenvalues of the Hessian matrix:
   746.49953    674.11435    630.55223    600.82714    586.39424    578.87657 
   565.08742    487.46921    460.66822    459.79726    441.69249    429.32529 
   421.93198    408.01786    396.36194    387.53235    370.00907    360.56060 
   349.37788    335.26897    329.26449    321.84079    319.09692    309.44513 
   300.84386    290.59839    278.92909    272.71542    268.52774    264.93899 
   263.80729    253.24325    241.56209    240.75417    233.97733    227.50503 
   217.10214    214.88569    213.27367    207.65407    203.01767    195.46959 
   194.82478    191.34126    182.92653    174.32462    172.32650    168.20333 
   163.23664    156.88420    154.88853    152.26337    146.69280    143.36539 
   138.06949    135.87311    130.30307    128.83016    126.88961    124.12408 
   120.00340    118.16149    116.85679    110.35208    106.83398    104.44279 
   102.85223     99.51552     96.09948     94.11327     91.98705     91.22143 
    88.44221     85.59526     80.83146     80.47111     77.96650     73.29435 
    72.58180     67.93056     64.77447     61.37084     59.84684     59.39593 
    58.13848     55.88430     52.45056     52.04654     50.21497     46.17692 
    43.31567     40.91149     37.86994     36.22299     32.28514     28.88721 
    28.45006     26.28714     23.33714     21.31674     19.85822     16.46018 
    13.90612     12.24257     10.09349      8.99621      5.73876      3.18215 
overlap for current and previous eigenvector    109 is         0.9999999890
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999782
overlap for current and previous eigenvector    112 is        -0.9999999390
overlap for current and previous eigenvector    113 is        -0.9999999271
overlap for current and previous eigenvector    114 is        -0.9999999654
J1,K1,R1,R2,RAT=   7   7   -0.8296476384E-02     2.008285659        0.9917035236    
FOB,PFOB,DIAG,PSTEP=   -0.1756528438E-06   -0.1742075274E-06     746.4995306        0.2333671522E-09
J1,K1,R1,R2,RAT=   8   8    0.5332845989E-01     1.946675139        0.9466715401    
FOB,PFOB,DIAG,PSTEP=   -0.4123736220E-06   -0.4356036520E-06     674.1143527        0.6461854230E-09
J1,K1,R1,R2,RAT=   9   9    0.5758957054E-01     1.942400664        0.9424006636    
FOB,PFOB,DIAG,PSTEP=   -0.7407720307E-06   -0.7860399551E-06     630.5522253        0.1246595860E-08
J1,K1,R1,R2,RAT=  10  10    0.6486024454         1.351405528        0.3513975546    
FOB,PFOB,DIAG,PSTEP=   -0.1509312837E-07   -0.4295140109E-07     600.8271415        0.7148683355E-10
J1,K1,R1,R2,RAT=  11  11    0.1417455339         1.858256474        0.8582544661    
FOB,PFOB,DIAG,PSTEP=    0.2989633534E-07    0.3483387686E-07     586.3942430       -0.5940345134E-10
J1,K1,R1,R2,RAT= 109 109    0.5404018021E-01     1.945951319        0.9459513186    
FOB,PFOB,DIAG,PSTEP=    0.6034416476E-05    0.6379148263E-05     13.90611911       -0.4587315359E-06
J1,K1,R1,R2,RAT= 110 110     1.844076602        0.1559207281        0.8440766021    
FOB,PFOB,DIAG,PSTEP=   -0.9101466310E-05    0.1078271776E-04     12.24257279       -0.8807570380E-06
J1,K1,R1,R2,RAT= 111 111    -2.299397284         4.299412848         1.299397284    
FOB,PFOB,DIAG,PSTEP=    0.3992183869E-06    0.1209980241E-06     10.09349138       -0.1198763420E-07
J1,K1,R1,R2,RAT= 112 112     761.4939865        0.3825366304        0.6174633696    
FOB,PFOB,DIAG,PSTEP=    0.3423558978E-01   -0.3427000358E-01     8.996209369        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1485.390988       -0.8402000752        0.1597999248    
FOB,PFOB,DIAG,PSTEP=    0.9095288370E-01   -0.9085004826E-01     5.738760464        0.2132760067E-04
J1,K1,R1,R2,RAT= 114 114    -57392.92906        0.2302709303        0.7697290697    
FOB,PFOB,DIAG,PSTEP=    0.9131672907       -0.9131599632         3.182146797       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001      0.00000      0.03424      0.09095      0.91317 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3833215775
 Log product of positive Hessian eigenvalues =          519.0681998034
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1821467972
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000033
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000065
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000153
 Unscaled step for mode   64=       -0.0000000001
 Unscaled step for mode   65=        0.0000000103
 Unscaled step for mode   66=        0.0000000047
 Unscaled step for mode   67=        0.0000000158
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000003
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=       -0.0000000109
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=        0.0000000009
 Unscaled step for mode   75=       -0.0000000029
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=       -0.0000000171
 Unscaled step for mode   78=       -0.0000000098
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000054
 Unscaled step for mode   81=        0.0000000164
 Unscaled step for mode   82=       -0.0000000157
 Unscaled step for mode   83=       -0.0000000045
 Unscaled step for mode   84=        0.0000000042
 Unscaled step for mode   85=        0.0000000276
 Unscaled step for mode   86=       -0.0000000086
 Unscaled step for mode   87=        0.0000000127
 Unscaled step for mode   88=       -0.0000000233
 Unscaled step for mode   89=        0.0000000356
 Unscaled step for mode   90=        0.0000000364
 Unscaled step for mode   91=        0.0000000507
 Unscaled step for mode   92=        0.0000000628
 Unscaled step for mode   93=        0.0000000633
 Unscaled step for mode   94=        0.0000000147
 Unscaled step for mode   95=       -0.0000000368
 Unscaled step for mode   96=       -0.0000000260
 Unscaled step for mode   97=       -0.0000000745
 Unscaled step for mode   98=        0.0000000125
 Unscaled step for mode   99=        0.0000000479
 Unscaled step for mode  100=        0.0000000425
 Unscaled step for mode  101=        0.0000003321
 Unscaled step for mode  102=       -0.0000000018
 Unscaled step for mode  103=       -0.0000000927
 Unscaled step for mode  104=        0.0000000804
 Unscaled step for mode  105=       -0.0000002532
 Unscaled step for mode  106=       -0.0000002656
 Unscaled step for mode  107=       -0.0000010141
 Unscaled step for mode  108=       -0.0000014028
 Unscaled step for mode  109=       -0.0000004339
 Unscaled step for mode  110=        0.0000007434
 Unscaled step for mode  111=       -0.0000000396
 Unscaled step for mode  112=       -0.0038055021
 Unscaled step for mode  113=       -0.0158448936
 Unscaled step for mode  114=        0.2665735837
 Largest modulus ratio of non-zero e/values=           234.5899100    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.812067E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.109488E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.184972E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.186567E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.565954E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.376750E-14    0.974288E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175653E-06    0.746500E+03  0.235302E-09 0.100000E-04    0.991704E+00
   8   -0.412374E-06    0.674114E+03  0.611727E-09 0.100000E-04    0.946672E+00
   9   -0.740772E-06    0.630552E+03  0.117480E-08 0.100000E-04    0.942401E+00
  10   -0.150931E-07    0.600827E+03  0.251206E-10 0.100000E-04    0.351398E+00
  11    0.298963E-07    0.586394E+03 -0.509833E-10 0.100000E-04    0.858254E+00
  12   -0.105478E-05    0.578877E+03  0.182212E-08 0.100000E-04    0.939289E+00
  13    0.553546E-07    0.565087E+03 -0.979576E-10 0.100000E-04    0.940204E+00
  14    0.443872E-06    0.487469E+03 -0.910564E-09 0.100000E-04    0.929935E+00
  15   -0.435973E-06    0.460668E+03  0.946392E-09 0.100000E-04    0.934997E+00
  16   -0.109589E-06    0.459797E+03  0.238342E-09 0.100000E-04    0.794427E+00
  17   -0.559482E-06    0.441692E+03  0.126668E-08 0.100000E-04    0.901394E+00
  18   -0.430779E-06    0.429325E+03  0.100339E-08 0.100000E-04    0.928171E+00
  19   -0.161979E-06    0.421932E+03  0.383899E-09 0.100000E-04    0.681589E+00
  20   -0.388846E-06    0.408018E+03  0.953013E-09 0.100000E-04    0.919285E+00
  21   -0.430913E-06    0.396362E+03  0.108717E-08 0.100000E-04    0.916534E+00
  22   -0.673293E-06    0.387532E+03  0.173739E-08 0.100000E-04    0.984891E+00
  23    0.824103E-06    0.370009E+03 -0.222725E-08 0.100000E-04    0.919944E+00
  24   -0.453736E-06    0.360561E+03  0.125842E-08 0.100000E-04    0.971381E+00
  25   -0.923345E-07    0.349378E+03  0.264283E-09 0.100000E-04    0.207138E+00
  26   -0.106836E-06    0.335269E+03  0.318657E-09 0.109000E-04    0.698050E-01
  27    0.351974E-06    0.329264E+03 -0.106897E-08 0.100000E-04    0.885645E+00
  28   -0.375448E-06    0.321841E+03  0.116656E-08 0.100000E-04    0.894806E+00
  29   -0.271985E-07    0.319097E+03  0.852358E-10 0.100000E-04    0.283448E+00
  30   -0.139307E-05    0.309445E+03  0.450184E-08 0.100000E-04    0.960033E+00
  31   -0.104571E-05    0.300844E+03  0.347593E-08 0.100000E-04    0.952162E+00
  32   -0.126412E-05    0.290598E+03  0.435007E-08 0.100000E-04    0.965584E+00
  33    0.138443E-07    0.278929E+03 -0.496338E-10 0.100000E-04    0.406196E+00
  34   -0.880797E-07    0.272715E+03  0.322973E-09 0.100000E-04    0.272550E+00
  35    0.108132E-05    0.268528E+03 -0.402684E-08 0.100000E-04    0.966196E+00
  36    0.132105E-05    0.264939E+03 -0.498624E-08 0.100000E-04    0.977589E+00
  37   -0.474455E-06    0.263807E+03  0.179849E-08 0.100000E-04    0.890360E+00
  38   -0.161383E-06    0.253243E+03  0.637267E-09 0.100000E-04    0.992410E+00
  39   -0.350790E-06    0.241562E+03  0.145217E-08 0.100000E-04    0.865676E+00
  40   -0.135373E-05    0.240754E+03  0.562288E-08 0.100000E-04    0.982086E+00
  41   -0.106080E-05    0.233977E+03  0.453379E-08 0.100000E-04    0.998351E+00
  42   -0.176057E-05    0.227505E+03  0.773861E-08 0.100000E-04    0.961176E+00
  43   -0.438331E-07    0.217102E+03  0.201901E-09 0.100000E-04    0.887628E+00
  44   -0.206292E-05    0.214886E+03  0.960006E-08 0.100000E-04    0.963965E+00
  45    0.717208E-06    0.213274E+03 -0.336285E-08 0.100000E-04    0.986651E+00
  46    0.112467E-05    0.207654E+03 -0.541607E-08 0.100000E-04    0.979357E+00
  47   -0.787178E-06    0.203018E+03  0.387739E-08 0.100000E-04    0.962508E+00
  48   -0.118085E-05    0.195470E+03  0.604109E-08 0.100000E-04    0.925633E+00
  49    0.955752E-06    0.194825E+03 -0.490570E-08 0.100000E-04    0.947553E+00
  50    0.129717E-05    0.191341E+03 -0.677936E-08 0.100000E-04    0.877951E+00
  51    0.212976E-06    0.182927E+03 -0.116427E-08 0.100000E-04    0.866916E+00
  52    0.580699E-06    0.174325E+03 -0.333114E-08 0.100000E-04    0.925089E+00
  53    0.917697E-07    0.172327E+03 -0.532534E-09 0.100000E-04    0.536888E+00
  54   -0.241170E-06    0.168203E+03  0.143380E-08 0.100000E-04    0.921376E+00
  55    0.903772E-06    0.163237E+03 -0.553658E-08 0.100000E-04    0.999707E+00
  56    0.139199E-05    0.156884E+03 -0.887275E-08 0.100000E-04    0.965743E+00
  57   -0.352622E-06    0.154889E+03  0.227661E-08 0.100000E-04    0.825471E+00
  58    0.940606E-06    0.152263E+03 -0.617749E-08 0.100000E-04    0.998614E+00
  59    0.687512E-06    0.146693E+03 -0.468675E-08 0.100000E-04    0.992785E+00
  60   -0.180834E-06    0.143365E+03  0.126135E-08 0.100000E-04    0.730903E+00
  61   -0.894831E-06    0.138069E+03  0.648102E-08 0.100000E-04    0.818680E+00
  62   -0.967841E-06    0.135873E+03  0.712313E-08 0.100000E-04    0.965875E+00
  63   -0.198740E-05    0.130303E+03  0.152521E-07 0.100000E-04    0.912750E+00
  64    0.192810E-07    0.128830E+03 -0.149662E-09 0.118810E-04    0.152085E+00
  65   -0.130078E-05    0.126890E+03  0.102513E-07 0.100000E-04    0.879183E+00
  66   -0.586295E-06    0.124124E+03  0.472346E-08 0.100000E-04    0.877605E+00
  67   -0.189444E-05    0.120003E+03  0.157865E-07 0.100000E-04    0.954146E+00
  68    0.446871E-06    0.118161E+03 -0.378187E-08 0.100000E-04    0.926365E+00
  69    0.302911E-07    0.116857E+03 -0.259215E-09 0.100000E-04    0.318956E+00
  70    0.137322E-05    0.110352E+03 -0.124440E-07 0.100000E-04    0.939455E+00
  71   -0.677942E-06    0.106834E+03  0.634576E-08 0.100000E-04    0.918184E+00
  72    0.113472E-05    0.104443E+03 -0.108646E-07 0.100000E-04    0.856959E+00
  73   -0.161033E-06    0.102852E+03  0.156567E-08 0.100000E-04    0.765284E+00
  74   -0.894950E-07    0.995155E+02  0.899307E-09 0.109000E-04    0.160788E+00
  75    0.280250E-06    0.960995E+02 -0.291625E-08 0.109000E-04    0.100195E+00
  76    0.237734E-06    0.941133E+02 -0.252604E-08 0.100000E-04    0.861198E+00
  77    0.157721E-05    0.919871E+02 -0.171461E-07 0.100000E-04    0.960640E+00
  78    0.893556E-06    0.912214E+02 -0.979546E-08 0.100000E-04    0.965545E+00
  79    0.696176E-06    0.884422E+02 -0.787153E-08 0.100000E-04    0.987915E+00
  80    0.458469E-06    0.855953E+02 -0.535624E-08 0.100000E-04    0.913327E+00
  81   -0.132349E-05    0.808315E+02  0.163735E-07 0.100000E-04    0.987607E+00
  82    0.126378E-05    0.804711E+02 -0.157048E-07 0.100000E-04    0.930135E+00
  83    0.354107E-06    0.779665E+02 -0.454178E-08 0.100000E-04    0.845938E+00
  84   -0.310496E-06    0.732944E+02  0.423628E-08 0.100000E-04    0.570078E+00
  85   -0.200098E-05    0.725818E+02  0.275686E-07 0.100000E-04    0.882794E+00
  86    0.586682E-06    0.679306E+02 -0.863650E-08 0.100000E-04    0.846257E+00
  87   -0.819626E-06    0.647745E+02  0.126535E-07 0.100000E-04    0.797772E+00
  88    0.142984E-05    0.613708E+02 -0.232983E-07 0.100000E-04    0.984579E+00
  89   -0.213184E-05    0.598468E+02  0.356215E-07 0.100000E-04    0.933748E+00
  90   -0.216291E-05    0.593959E+02  0.364151E-07 0.100000E-04    0.973287E+00
  91   -0.294547E-05    0.581385E+02  0.506631E-07 0.100000E-04    0.917035E+00
  92   -0.351092E-05    0.558843E+02  0.628248E-07 0.100000E-04    0.945610E+00
  93   -0.332018E-05    0.524506E+02  0.633012E-07 0.100000E-04    0.980436E+00
  94   -0.764209E-06    0.520465E+02  0.146832E-07 0.100000E-04    0.837541E+00
  95    0.184839E-05    0.502150E+02 -0.368095E-07 0.100000E-04    0.872386E+00
  96    0.119973E-05    0.461769E+02 -0.259812E-07 0.100000E-04    0.918535E+00
  97    0.322781E-05    0.433157E+02 -0.745183E-07 0.100000E-04    0.877639E+00
  98   -0.509930E-06    0.409115E+02  0.124642E-07 0.100000E-04    0.645369E+00
  99   -0.181503E-05    0.378699E+02  0.479281E-07 0.100000E-04    0.800356E+00
 100   -0.154054E-05    0.362230E+02  0.425293E-07 0.100000E-04    0.885774E+00
 101   -0.107204E-04    0.322851E+02  0.332052E-06 0.100000E-04    0.936623E+00
 102    0.517326E-07    0.288872E+02 -0.179085E-08 0.100000E-04    0.237250E+00
 103    0.263637E-05    0.284501E+02 -0.926666E-07 0.100000E-04    0.956681E+00
 104   -0.211240E-05    0.262871E+02  0.803585E-07 0.100000E-04    0.862281E+00
 105    0.590780E-05    0.233371E+02 -0.253150E-06 0.100000E-04    0.925372E+00
 106    0.566096E-05    0.213167E+02 -0.265564E-06 0.100000E-04    0.954294E+00
 107    0.201388E-04    0.198582E+02 -0.101413E-05 0.100000E-04    0.917000E+00
 108    0.230902E-04    0.164602E+02 -0.140279E-05 0.100000E-04    0.927500E+00
 109    0.603442E-05    0.139061E+02 -0.433940E-06 0.100000E-04    0.945951E+00
 110   -0.910147E-05    0.122426E+02  0.743428E-06 0.547744E-04    0.844077E+00
 111    0.399218E-06    0.100935E+02 -0.395521E-07 0.100000E-04    0.129940E+01
 112    0.342356E-01    0.899621E+01 -0.100000E-04 0.100000E-04    0.617463E+00
 113    0.909529E-01    0.573876E+01 -0.232471E-04 0.232471E-04    0.159800E+00
 114    0.913167E+00    0.318215E+01  0.100000E-04 0.100000E-04    0.769729E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2324708473E-04    0.2665735837    

 Beginning of optimization cycle  563.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997432749
 potential> RMS force:                                               0.0860103368   |gradient|=.9183390969    
 Eigenvalues of the Hessian matrix:
   746.50366    674.11293    630.55541    600.82476    586.39358    578.87692 
   565.08320    487.46881    460.66681    459.79667    441.69181    429.32670 
   421.93135    408.01611    396.36134    387.53084    370.00956    360.56080 
   349.37714    335.26966    329.26544    321.84052    319.09765    309.44392 
   300.84326    290.59846    278.93066    272.71590    268.52799    264.93935 
   263.80802    253.24263    241.56237    240.75467    233.97818    227.50540 
   217.10289    214.88584    213.27336    207.65459    203.01722    195.46873 
   194.82519    191.34176    182.92732    174.32540    172.32675    168.20363 
   163.23629    156.88397    154.88908    152.26318    146.69215    143.36496 
   138.07005    135.87311    130.30277    128.83039    126.88982    124.12289 
   120.00358    118.16163    116.85633    110.35234    106.83379    104.44304 
   102.85230     99.51544     96.09926     94.11303     91.98663     91.22168 
    88.44167     85.59559     80.83154     80.47185     77.96627     73.29411 
    72.58118     67.93024     64.77396     61.37034     59.84661     59.39603 
    58.13841     55.88405     52.45044     52.04613     50.21559     46.17646 
    43.31627     40.91160     37.86988     36.22261     32.28474     28.88756 
    28.45012     26.28742     23.33705     21.31697     19.85813     16.46007 
    13.90618     12.24259     10.09341      8.99782      5.73897      3.18185 
overlap for current and previous eigenvector    109 is         0.9999999875
overlap for current and previous eigenvector    110 is        -0.9999999983
overlap for current and previous eigenvector    111 is        -0.9999999742
overlap for current and previous eigenvector    112 is        -0.9999999308
overlap for current and previous eigenvector    113 is        -0.9999999191
overlap for current and previous eigenvector    114 is        -0.9999999611
J1,K1,R1,R2,RAT=   7   7    0.3540773641E-02     1.996448153        0.9964481532    
FOB,PFOB,DIAG,PSTEP=   -0.1750308934E-06   -0.1756528438E-06     746.5036637        0.2353020151E-09
J1,K1,R1,R2,RAT=   8   8   -0.4625696376E-01     2.046261190        0.9537430362    
FOB,PFOB,DIAG,PSTEP=   -0.4314487333E-06   -0.4123736220E-06     674.1129282        0.6117265124E-09
J1,K1,R1,R2,RAT=   9   9   -0.4884879423E-01     2.048838689        0.9511512058    
FOB,PFOB,DIAG,PSTEP=   -0.7769580340E-06   -0.7407720307E-06     630.5554111        0.1174798852E-08
J1,K1,R1,R2,RAT=  10  10    -1.555514442         3.555522374        0.5555144420    
FOB,PFOB,DIAG,PSTEP=   -0.3857061441E-07   -0.1509312837E-07     600.8247587        0.2512058349E-10
J1,K1,R1,R2,RAT=  11  11   -0.1069098862         2.106912135        0.8930901138    
FOB,PFOB,DIAG,PSTEP=    0.3309254556E-07    0.2989633534E-07     586.3935837       -0.5098333706E-10
J1,K1,R1,R2,RAT= 109 109   -0.4488271167E-01     2.044874014        0.9551172883    
FOB,PFOB,DIAG,PSTEP=    0.6305258628E-05    0.6034416476E-05     13.90617959       -0.4339396511E-06
J1,K1,R1,R2,RAT= 110 110     2.154118427       -0.1541210679        0.8458789321    
FOB,PFOB,DIAG,PSTEP=    0.1050419587E-04   -0.9101466310E-05     12.24258896        0.7434275836E-06
J1,K1,R1,R2,RAT= 111 111    0.7509332081         1.249082006        0.2490667919    
FOB,PFOB,DIAG,PSTEP=    0.9943432328E-07    0.3992183869E-06     10.09341460       -0.3955206100E-07
J1,K1,R1,R2,RAT= 112 112     760.6253447        0.3497668613        0.6502331387    
FOB,PFOB,DIAG,PSTEP=   -0.3420411839E-01    0.3423558978E-01     8.997821154       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1364.254653       -0.7905886165        0.2094113835    
FOB,PFOB,DIAG,PSTEP=   -0.9105835962E-01    0.9095288370E-01     5.738974222       -0.2324708473E-04
J1,K1,R1,R2,RAT= 114 114    -57398.63766        0.1832313953        0.8167686047    
FOB,PFOB,DIAG,PSTEP=   -0.9131731209        0.9131672907         3.181853239        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03420     -0.09106     -0.91317 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3833014644
 Log product of positive Hessian eigenvalues =          519.0682890398
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1818532394
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000018
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000051
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000013
 Unscaled step for mode   40=        0.0000000057
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000080
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000099
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000076
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000035
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000077
 Unscaled step for mode   62=        0.0000000073
 Unscaled step for mode   63=        0.0000000165
 Unscaled step for mode   64=       -0.0000000008
 Unscaled step for mode   65=        0.0000000114
 Unscaled step for mode   66=        0.0000000053
 Unscaled step for mode   67=       -0.0000000164
 Unscaled step for mode   68=        0.0000000040
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000131
 Unscaled step for mode   71=        0.0000000068
 Unscaled step for mode   72=       -0.0000000097
 Unscaled step for mode   73=       -0.0000000020
 Unscaled step for mode   74=        0.0000000005
 Unscaled step for mode   75=       -0.0000000017
 Unscaled step for mode   76=       -0.0000000028
 Unscaled step for mode   77=        0.0000000166
 Unscaled step for mode   78=        0.0000000100
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000058
 Unscaled step for mode   81=        0.0000000165
 Unscaled step for mode   82=        0.0000000167
 Unscaled step for mode   83=        0.0000000040
 Unscaled step for mode   84=        0.0000000069
 Unscaled step for mode   85=        0.0000000306
 Unscaled step for mode   86=        0.0000000099
 Unscaled step for mode   87=        0.0000000154
 Unscaled step for mode   88=        0.0000000228
 Unscaled step for mode   89=        0.0000000376
 Unscaled step for mode   90=        0.0000000371
 Unscaled step for mode   91=       -0.0000000543
 Unscaled step for mode   92=       -0.0000000658
 Unscaled step for mode   93=        0.0000000643
 Unscaled step for mode   94=       -0.0000000129
 Unscaled step for mode   95=        0.0000000413
 Unscaled step for mode   96=       -0.0000000279
 Unscaled step for mode   97=        0.0000000828
 Unscaled step for mode   98=        0.0000000181
 Unscaled step for mode   99=       -0.0000000581
 Unscaled step for mode  100=        0.0000000472
 Unscaled step for mode  101=       -0.0000003505
 Unscaled step for mode  102=       -0.0000000060
 Unscaled step for mode  103=        0.0000000962
 Unscaled step for mode  104=       -0.0000000713
 Unscaled step for mode  105=        0.0000002705
 Unscaled step for mode  106=        0.0000002750
 Unscaled step for mode  107=        0.0000010915
 Unscaled step for mode  108=        0.0000014936
 Unscaled step for mode  109=       -0.0000004534
 Unscaled step for mode  110=       -0.0000008580
 Unscaled step for mode  111=       -0.0000000099
 Unscaled step for mode  112=        0.0038013230
 Unscaled step for mode  113=        0.0158626688
 Unscaled step for mode  114=       -0.2665963901
 Largest modulus ratio of non-zero e/values=           234.6128522    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.130776E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.169390E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.216840E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.166495E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.621329E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.465705E-14    0.974288E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175031E-06    0.746504E+03  0.234468E-09 0.100000E-04    0.996448E+00
   8   -0.431449E-06    0.674113E+03  0.640024E-09 0.100000E-04    0.953743E+00
   9   -0.776958E-06    0.630555E+03  0.123218E-08 0.100000E-04    0.951151E+00
  10   -0.385706E-07    0.600825E+03  0.641961E-10 0.100000E-04    0.555514E+00
  11    0.330925E-07    0.586394E+03 -0.564340E-10 0.100000E-04    0.893090E+00
  12   -0.111066E-05    0.578877E+03  0.191864E-08 0.100000E-04    0.947027E+00
  13    0.524675E-07    0.565083E+03 -0.928491E-10 0.100000E-04    0.947842E+00
  14    0.471701E-06    0.487469E+03 -0.967653E-09 0.100000E-04    0.937304E+00
  15   -0.460102E-06    0.460667E+03  0.998774E-09 0.100000E-04    0.944653E+00
  16   -0.132572E-06    0.459797E+03  0.288327E-09 0.100000E-04    0.790284E+00
  17   -0.610194E-06    0.441692E+03  0.138149E-08 0.100000E-04    0.909359E+00
  18   -0.456467E-06    0.429327E+03  0.106322E-08 0.100000E-04    0.940369E+00
  19   -0.129105E-06    0.421931E+03  0.305986E-09 0.100000E-04    0.797048E+00
  20   -0.416668E-06    0.408016E+03  0.102120E-08 0.100000E-04    0.928451E+00
  21   -0.462912E-06    0.396361E+03  0.116790E-08 0.100000E-04    0.925741E+00
  22   -0.679196E-06    0.387531E+03  0.175262E-08 0.100000E-04    0.991233E+00
  23    0.882682E-06    0.370010E+03 -0.238556E-08 0.100000E-04    0.928918E+00
  24   -0.463660E-06    0.360561E+03  0.128594E-08 0.100000E-04    0.978128E+00
  25   -0.581292E-07    0.349377E+03  0.166379E-09 0.100000E-04    0.629549E+00
  26   -0.590319E-07    0.335270E+03  0.176073E-09 0.100000E-04    0.552545E+00
  27    0.389923E-06    0.329265E+03 -0.118422E-08 0.100000E-04    0.892183E+00
  28   -0.411731E-06    0.321841E+03  0.127930E-08 0.100000E-04    0.903362E+00
  29   -0.855353E-07    0.319098E+03  0.268054E-09 0.100000E-04    0.114485E+01
  30   -0.143972E-05    0.309444E+03  0.465260E-08 0.100000E-04    0.966516E+00
  31   -0.108848E-05    0.300843E+03  0.361811E-08 0.100000E-04    0.959098E+00
  32   -0.129920E-05    0.290598E+03  0.447078E-08 0.100000E-04    0.972250E+00
  33   -0.269210E-07    0.278931E+03  0.965149E-10 0.109000E-04    0.554547E-01
  34   -0.465273E-07    0.272716E+03  0.170607E-09 0.100000E-04    0.528238E+00
  35    0.111032E-05    0.268528E+03 -0.413484E-08 0.100000E-04    0.973177E+00
  36    0.134308E-05    0.264939E+03 -0.506940E-08 0.100000E-04    0.983321E+00
  37   -0.522770E-06    0.263808E+03  0.198163E-08 0.100000E-04    0.898168E+00
  38   -0.159503E-06    0.253243E+03  0.629843E-09 0.100000E-04    0.988349E+00
  39   -0.317179E-06    0.241562E+03  0.131303E-08 0.100000E-04    0.904182E+00
  40   -0.137146E-05    0.240755E+03  0.569648E-08 0.100000E-04    0.986908E+00
  41   -0.105679E-05    0.233978E+03  0.451663E-08 0.100000E-04    0.996211E+00
  42   -0.181587E-05    0.227505E+03  0.798166E-08 0.100000E-04    0.968591E+00
  43   -0.458250E-07    0.217103E+03  0.211075E-09 0.100000E-04    0.954557E+00
  44   -0.212373E-05    0.214886E+03  0.988306E-08 0.100000E-04    0.970521E+00
  45    0.706909E-06    0.213273E+03 -0.331457E-08 0.100000E-04    0.985640E+00
  46    0.114393E-05    0.207655E+03 -0.550882E-08 0.100000E-04    0.982873E+00
  47   -0.812557E-06    0.203017E+03  0.400240E-08 0.100000E-04    0.967759E+00
  48   -0.125848E-05    0.195469E+03  0.643825E-08 0.100000E-04    0.934261E+00
  49    0.100093E-05    0.194825E+03 -0.513758E-08 0.100000E-04    0.952730E+00
  50    0.144502E-05    0.191342E+03 -0.755201E-08 0.100000E-04    0.886026E+00
  51    0.241344E-06    0.182927E+03 -0.131934E-08 0.100000E-04    0.866803E+00
  52    0.618714E-06    0.174325E+03 -0.354919E-08 0.100000E-04    0.934536E+00
  53    0.701852E-07    0.172327E+03 -0.407280E-09 0.100000E-04    0.764794E+00
  54   -0.228967E-06    0.168204E+03  0.136125E-08 0.100000E-04    0.949396E+00
  55    0.900732E-06    0.163236E+03 -0.551797E-08 0.100000E-04    0.996636E+00
  56    0.142851E-05    0.156884E+03 -0.910553E-08 0.100000E-04    0.973767E+00
  57   -0.413523E-06    0.154889E+03  0.266980E-08 0.100000E-04    0.827290E+00
  58    0.940348E-06    0.152263E+03 -0.617581E-08 0.100000E-04    0.999727E+00
  59    0.689559E-06    0.146692E+03 -0.470072E-08 0.100000E-04    0.997023E+00
  60   -0.233341E-06    0.143365E+03  0.162760E-08 0.100000E-04    0.709638E+00
  61   -0.105773E-05    0.138070E+03  0.766081E-08 0.100000E-04    0.817958E+00
  62   -0.992642E-06    0.135873E+03  0.730565E-08 0.100000E-04    0.974375E+00
  63   -0.214438E-05    0.130303E+03  0.164569E-07 0.100000E-04    0.921013E+00
  64    0.109485E-06    0.128830E+03 -0.849841E-09 0.107036E-04    0.367840E+01
  65   -0.144657E-05    0.126890E+03  0.114002E-07 0.100000E-04    0.887922E+00
  66   -0.656286E-06    0.124123E+03  0.528739E-08 0.100000E-04    0.880621E+00
  67    0.196502E-05    0.120004E+03 -0.163747E-07 0.100000E-04    0.962743E+00
  68   -0.476980E-06    0.118162E+03  0.403667E-08 0.100000E-04    0.932623E+00
  69    0.853229E-07    0.116856E+03 -0.730152E-09 0.100000E-04    0.816776E+00
  70    0.144539E-05    0.110352E+03 -0.130979E-07 0.100000E-04    0.947449E+00
  71   -0.729158E-06    0.106834E+03  0.682516E-08 0.100000E-04    0.924454E+00
  72    0.101202E-05    0.104443E+03 -0.968973E-08 0.100000E-04    0.891863E+00
  73    0.203445E-06    0.102852E+03 -0.197803E-08 0.100000E-04    0.736624E+00
  74   -0.480635E-07    0.995154E+02  0.482976E-09 0.100000E-04    0.537052E+00
  75    0.159223E-06    0.960993E+02 -0.165686E-08 0.100000E-04    0.568145E+00
  76    0.268219E-06    0.941130E+02 -0.284996E-08 0.100000E-04    0.871770E+00
  77   -0.152326E-05    0.919866E+02  0.165596E-07 0.100000E-04    0.965791E+00
  78   -0.916625E-06    0.912217E+02  0.100483E-07 0.100000E-04    0.974183E+00
  79    0.704285E-06    0.884417E+02 -0.796328E-08 0.100000E-04    0.988351E+00
  80    0.498076E-06    0.855956E+02 -0.581895E-08 0.100000E-04    0.913610E+00
  81   -0.133400E-05    0.808315E+02  0.165035E-07 0.100000E-04    0.992058E+00
  82   -0.134198E-05    0.804718E+02  0.166764E-07 0.100000E-04    0.938127E+00
  83   -0.309564E-06    0.779663E+02  0.397049E-08 0.100000E-04    0.874210E+00
  84   -0.504599E-06    0.732941E+02  0.688458E-08 0.100000E-04    0.374856E+00
  85   -0.221892E-05    0.725812E+02  0.305716E-07 0.100000E-04    0.891080E+00
  86   -0.673390E-06    0.679302E+02  0.991296E-08 0.100000E-04    0.852206E+00
  87   -0.995438E-06    0.647740E+02  0.153679E-07 0.100000E-04    0.785495E+00
  88   -0.139987E-05    0.613703E+02  0.228102E-07 0.100000E-04    0.979039E+00
  89   -0.224859E-05    0.598466E+02  0.375725E-07 0.100000E-04    0.945234E+00
  90   -0.220650E-05    0.593960E+02  0.371489E-07 0.100000E-04    0.979846E+00
  91    0.315786E-05    0.581384E+02 -0.543163E-07 0.100000E-04    0.927893E+00
  92    0.367687E-05    0.558841E+02 -0.657946E-07 0.100000E-04    0.952733E+00
  93   -0.337082E-05    0.524504E+02  0.642667E-07 0.100000E-04    0.984749E+00
  94    0.673233E-06    0.520461E+02 -0.129353E-07 0.100000E-04    0.880953E+00
  95   -0.207369E-05    0.502156E+02  0.412957E-07 0.100000E-04    0.878111E+00
  96    0.128813E-05    0.461765E+02 -0.278959E-07 0.100000E-04    0.926314E+00
  97   -0.358638E-05    0.433163E+02  0.827953E-07 0.100000E-04    0.888913E+00
  98   -0.738989E-06    0.409116E+02  0.180631E-07 0.100000E-04    0.550802E+00
  99    0.219946E-05    0.378699E+02 -0.580794E-07 0.100000E-04    0.788198E+00
 100   -0.170820E-05    0.362226E+02  0.471584E-07 0.100000E-04    0.891167E+00
 101    0.113147E-04    0.322847E+02 -0.350466E-06 0.100000E-04    0.944559E+00
 102    0.172857E-06    0.288876E+02 -0.598380E-08 0.100000E-04    0.134133E+01
 103   -0.273603E-05    0.284501E+02  0.961693E-07 0.100000E-04    0.962199E+00
 104    0.187429E-05    0.262874E+02 -0.712997E-07 0.100000E-04    0.887260E+00
 105   -0.631276E-05    0.233371E+02  0.270504E-06 0.100000E-04    0.931453E+00
 106   -0.586222E-05    0.213170E+02  0.275003E-06 0.100000E-04    0.964448E+00
 107   -0.216756E-04    0.198581E+02  0.109152E-05 0.100000E-04    0.923686E+00
 108   -0.245839E-04    0.164601E+02  0.149355E-05 0.100000E-04    0.935306E+00
 109    0.630526E-05    0.139062E+02 -0.453414E-06 0.100000E-04    0.955117E+00
 110    0.105042E-04    0.122426E+02 -0.858004E-06 0.493463E-04    0.845879E+00
 111    0.994343E-07    0.100934E+02 -0.985141E-08 0.100000E-04    0.249067E+00
 112   -0.342041E-01    0.899782E+01  0.100000E-04 0.100000E-04    0.650233E+00
 113   -0.910584E-01    0.573897E+01  0.209433E-04 0.209433E-04    0.209411E+00
 114   -0.913173E+00    0.318185E+01 -0.100000E-04 0.100000E-04    0.816769E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2094331958E-04    0.2665963901    

 Beginning of optimization cycle  564.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997363905
 potential> RMS force:                                               0.0860118702   |gradient|=.9183554685    
 Eigenvalues of the Hessian matrix:
   746.50766    674.11174    630.55846    600.82237    586.39301    578.87724 
   565.07927    487.46853    460.66546    459.79611    441.69120    429.32793 
   421.93075    408.01447    396.36079    387.52938    370.01004    360.56095 
   349.37634    335.27029    329.26632    321.84032    319.09823    309.44276 
   300.84262    290.59851    278.93209    272.71634    268.52817    264.93968 
   263.80863    253.24198    241.56255    240.75515    233.97893    227.50569 
   217.10354    214.88599    213.27307    207.65507    203.01679    195.46791 
   194.82554    191.34224    182.92802    174.32612    172.32698    168.20389 
   163.23595    156.88374    154.88959    152.26300    146.69153    143.36458 
   138.07056    135.87311    130.30252    128.83061    126.89002    124.12179 
   120.00376    118.16178    116.85593    110.35258    106.83362    104.44329 
   102.85238     99.51538     96.09906     94.11282     91.98620     91.22189 
    88.44116     85.59589     80.83160     80.47252     77.96606     73.29393 
    72.58063     67.92998     64.77349     61.36983     59.84640     59.39615 
    58.13837     55.88385     52.45034     52.04576     50.21618     46.17605 
    43.31683     40.91172     37.86985     36.22231     32.28436     28.88789 
    28.45018     26.28768     23.33695     21.31722     19.85802     16.45998 
    13.90624     12.24261     10.09334      8.99933      5.73917      3.18157 
overlap for current and previous eigenvector    109 is         0.9999999893
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999787
overlap for current and previous eigenvector    112 is         0.9999999404
overlap for current and previous eigenvector    113 is         0.9999999291
overlap for current and previous eigenvector    114 is         0.9999999664
J1,K1,R1,R2,RAT=   7   7   -0.1006689714E-01     2.010056182        0.9899331029    
FOB,PFOB,DIAG,PSTEP=   -0.1767929209E-06   -0.1750308934E-06     746.5076632        0.2344675612E-09
J1,K1,R1,R2,RAT=   8   8    0.5290092578E-01     1.947102592        0.9470990742    
FOB,PFOB,DIAG,PSTEP=   -0.4086247361E-06   -0.4314487333E-06     674.1117423        0.6400244163E-09
J1,K1,R1,R2,RAT=   9   9    0.5660271825E-01     1.943387616        0.9433876156    
FOB,PFOB,DIAG,PSTEP=   -0.7329798847E-06   -0.7769580340E-06     630.5584587        0.1232180424E-08
J1,K1,R1,R2,RAT=  10  10    0.7019759484         1.298032000        0.2980240516    
FOB,PFOB,DIAG,PSTEP=   -0.1149507839E-07   -0.3857061441E-07     600.8223708        0.6419611352E-10
J1,K1,R1,R2,RAT=  11  11    0.1491643490         1.850837608        0.8508356510    
FOB,PFOB,DIAG,PSTEP=    0.2815632238E-07    0.3309254556E-07     586.3930098       -0.5643401715E-10
J1,K1,R1,R2,RAT= 109 109    0.4957311613E-01     1.950418373        0.9504183731    
FOB,PFOB,DIAG,PSTEP=    0.5992685980E-05    0.6305258628E-05     13.90623876       -0.4534141522E-06
J1,K1,R1,R2,RAT= 110 110    0.1584483555         1.841548853        0.8415488527    
FOB,PFOB,DIAG,PSTEP=    0.8839820985E-05    0.1050419587E-04     12.24260605       -0.8580044549E-06
J1,K1,R1,R2,RAT= 111 111     4.829768622        -2.829753174         1.829753174    
FOB,PFOB,DIAG,PSTEP=   -0.3808067420E-06    0.9943432328E-07     10.09333664       -0.9851405811E-08
J1,K1,R1,R2,RAT= 112 112    0.3896408274         759.7586735        0.6103591726    
FOB,PFOB,DIAG,PSTEP=   -0.3416905333E-01   -0.3420411839E-01     8.999327563        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8452610259         1515.995047        0.1547389741    
FOB,PFOB,DIAG,PSTEP=   -0.9115995760E-01   -0.9105835962E-01     5.739165247        0.2094331958E-04
J1,K1,R1,R2,RAT= 114 114    0.2401504569        -57404.15790        0.7598495431    
FOB,PFOB,DIAG,PSTEP=   -0.9131807614       -0.9131731209         3.181570724       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001     -0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000     -0.03417     -0.09116     -0.91318 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3832797106
 Log product of positive Hessian eigenvalues =          519.0683713228
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1815707244
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000000
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000033
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000063
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000150
 Unscaled step for mode   64=       -0.0000000000
 Unscaled step for mode   65=        0.0000000100
 Unscaled step for mode   66=        0.0000000046
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=       -0.0000000111
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=        0.0000000010
 Unscaled step for mode   75=       -0.0000000031
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=        0.0000000097
 Unscaled step for mode   79=       -0.0000000078
 Unscaled step for mode   80=       -0.0000000053
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=        0.0000000155
 Unscaled step for mode   83=        0.0000000046
 Unscaled step for mode   84=        0.0000000037
 Unscaled step for mode   85=        0.0000000271
 Unscaled step for mode   86=        0.0000000084
 Unscaled step for mode   87=        0.0000000121
 Unscaled step for mode   88=        0.0000000232
 Unscaled step for mode   89=        0.0000000353
 Unscaled step for mode   90=        0.0000000362
 Unscaled step for mode   91=       -0.0000000496
 Unscaled step for mode   92=       -0.0000000621
 Unscaled step for mode   93=        0.0000000629
 Unscaled step for mode   94=       -0.0000000149
 Unscaled step for mode   95=        0.0000000361
 Unscaled step for mode   96=       -0.0000000254
 Unscaled step for mode   97=        0.0000000728
 Unscaled step for mode   98=        0.0000000117
 Unscaled step for mode   99=       -0.0000000462
 Unscaled step for mode  100=        0.0000000416
 Unscaled step for mode  101=       -0.0000003271
 Unscaled step for mode  102=        0.0000000035
 Unscaled step for mode  103=        0.0000000920
 Unscaled step for mode  104=       -0.0000000828
 Unscaled step for mode  105=        0.0000002492
 Unscaled step for mode  106=        0.0000002631
 Unscaled step for mode  107=        0.0000009967
 Unscaled step for mode  108=        0.0000013818
 Unscaled step for mode  109=       -0.0000004309
 Unscaled step for mode  110=       -0.0000007221
 Unscaled step for mode  111=        0.0000000377
 Unscaled step for mode  112=        0.0037967904
 Unscaled step for mode  113=        0.0158798302
 Unscaled step for mode  114=       -0.2666188558
 Largest modulus ratio of non-zero e/values=           234.6349423    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.619838E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.189947E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.621905E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.120792E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.932631E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.258456E-14    0.974289E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176793E-06    0.746508E+03  0.236827E-09 0.100000E-04    0.989933E+00
   8   -0.408625E-06    0.674112E+03  0.606168E-09 0.100000E-04    0.947099E+00
   9   -0.732980E-06    0.630558E+03  0.116243E-08 0.100000E-04    0.943388E+00
  10   -0.114951E-07    0.600822E+03  0.191322E-10 0.100000E-04    0.298024E+00
  11    0.281563E-07    0.586393E+03 -0.480161E-10 0.100000E-04    0.850836E+00
  12   -0.104406E-05    0.578877E+03  0.180359E-08 0.100000E-04    0.940037E+00
  13    0.556296E-07    0.565079E+03 -0.984457E-10 0.100000E-04    0.939731E+00
  14    0.439456E-06    0.487469E+03 -0.901507E-09 0.100000E-04    0.931642E+00
  15   -0.430883E-06    0.460665E+03  0.935350E-09 0.100000E-04    0.936495E+00
  16   -0.105274E-06    0.459796E+03  0.228957E-09 0.100000E-04    0.794087E+00
  17   -0.550883E-06    0.441691E+03  0.124721E-08 0.100000E-04    0.902800E+00
  18   -0.424854E-06    0.429328E+03  0.989579E-09 0.100000E-04    0.930738E+00
  19   -0.167518E-06    0.421931E+03  0.397028E-09 0.100000E-04    0.702468E+00
  20   -0.383357E-06    0.408014E+03  0.939566E-09 0.100000E-04    0.920053E+00
  21   -0.424648E-06    0.396361E+03  0.107137E-08 0.100000E-04    0.917340E+00
  22   -0.670218E-06    0.387529E+03  0.172946E-08 0.100000E-04    0.986782E+00
  23    0.812966E-06    0.370010E+03 -0.219714E-08 0.100000E-04    0.921015E+00
  24   -0.451244E-06    0.360561E+03  0.125151E-08 0.100000E-04    0.973221E+00
  25   -0.977130E-07    0.349376E+03  0.279678E-09 0.100000E-04    0.319036E+00
  26   -0.116697E-06    0.335270E+03  0.348067E-09 0.109000E-04    0.231632E-01
  27    0.343845E-06    0.329266E+03 -0.104427E-08 0.100000E-04    0.881822E+00
  28   -0.367087E-06    0.321840E+03  0.114059E-08 0.100000E-04    0.891571E+00
  29   -0.126106E-07    0.319098E+03  0.395193E-10 0.109000E-04    0.147429E+00
  30   -0.137810E-05    0.309443E+03  0.445348E-08 0.100000E-04    0.957197E+00
  31   -0.103652E-05    0.300843E+03  0.344538E-08 0.100000E-04    0.952257E+00
  32   -0.125448E-05    0.290599E+03  0.431687E-08 0.100000E-04    0.965575E+00
  33    0.219626E-07    0.278932E+03 -0.787383E-10 0.100000E-04    0.815811E+00
  34   -0.971667E-07    0.272716E+03  0.356292E-09 0.109000E-04    0.883789E-01
  35    0.107191E-05    0.268528E+03 -0.399181E-08 0.100000E-04    0.965406E+00
  36    0.131452E-05    0.264940E+03 -0.496158E-08 0.100000E-04    0.978731E+00
  37   -0.465931E-06    0.263809E+03  0.176617E-08 0.100000E-04    0.891269E+00
  38   -0.161243E-06    0.253242E+03  0.636714E-09 0.100000E-04    0.989094E+00
  39   -0.359800E-06    0.241563E+03  0.148947E-08 0.100000E-04    0.865625E+00
  40   -0.134798E-05    0.240755E+03  0.559895E-08 0.100000E-04    0.982876E+00
  41   -0.106138E-05    0.233979E+03  0.453622E-08 0.100000E-04    0.995659E+00
  42   -0.174337E-05    0.227506E+03  0.766297E-08 0.100000E-04    0.960071E+00
  43   -0.414197E-07    0.217104E+03  0.190783E-09 0.100000E-04    0.903861E+00
  44   -0.204831E-05    0.214886E+03  0.953210E-08 0.100000E-04    0.964488E+00
  45    0.716749E-06    0.213273E+03 -0.336071E-08 0.100000E-04    0.986080E+00
  46    0.112184E-05    0.207655E+03 -0.540243E-08 0.100000E-04    0.980685E+00
  47   -0.782467E-06    0.203017E+03  0.385420E-08 0.100000E-04    0.962969E+00
  48   -0.116176E-05    0.195468E+03  0.594348E-08 0.100000E-04    0.923147E+00
  49    0.948042E-06    0.194826E+03 -0.486611E-08 0.100000E-04    0.947158E+00
  50    0.126691E-05    0.191342E+03 -0.662119E-08 0.100000E-04    0.876743E+00
  51    0.206956E-06    0.182928E+03 -0.113135E-08 0.100000E-04    0.857508E+00
  52    0.571366E-06    0.174326E+03 -0.327757E-08 0.100000E-04    0.923466E+00
  53    0.971806E-07    0.172327E+03 -0.563932E-09 0.100000E-04    0.615368E+00
  54   -0.242537E-06    0.168204E+03  0.144192E-08 0.100000E-04    0.940734E+00
  55    0.899510E-06    0.163236E+03 -0.551049E-08 0.100000E-04    0.998643E+00
  56    0.138375E-05    0.156884E+03 -0.882024E-08 0.100000E-04    0.968668E+00
  57   -0.343284E-06    0.154890E+03  0.221631E-08 0.100000E-04    0.830138E+00
  58    0.937646E-06    0.152263E+03 -0.615807E-08 0.100000E-04    0.997126E+00
  59    0.684299E-06    0.146692E+03 -0.466489E-08 0.100000E-04    0.992373E+00
  60   -0.172395E-06    0.143365E+03  0.120249E-08 0.100000E-04    0.738809E+00
  61   -0.864385E-06    0.138071E+03  0.626046E-08 0.100000E-04    0.817203E+00
  62   -0.960004E-06    0.135873E+03  0.706544E-08 0.100000E-04    0.967120E+00
  63   -0.195437E-05    0.130303E+03  0.149987E-07 0.100000E-04    0.911392E+00
  64    0.989984E-09    0.128831E+03 -0.768438E-11 0.116669E-04    0.904047E-02
  65   -0.127451E-05    0.126890E+03  0.100442E-07 0.100000E-04    0.881055E+00
  66   -0.575552E-06    0.124122E+03  0.463700E-08 0.100000E-04    0.876983E+00
  67    0.187791E-05    0.120004E+03 -0.156487E-07 0.100000E-04    0.955666E+00
  68   -0.441063E-06    0.118162E+03  0.373270E-08 0.100000E-04    0.924697E+00
  69    0.240618E-07    0.116856E+03 -0.205910E-09 0.100000E-04    0.282006E+00
  70    0.135803E-05    0.110353E+03 -0.123063E-07 0.100000E-04    0.939557E+00
  71   -0.668449E-06    0.106834E+03  0.625691E-08 0.100000E-04    0.916741E+00
  72    0.115667E-05    0.104443E+03 -0.110747E-07 0.100000E-04    0.857070E+00
  73    0.153195E-06    0.102852E+03 -0.148947E-08 0.100000E-04    0.753004E+00
  74   -0.950548E-07    0.995154E+02  0.955177E-09 0.109000E-04    0.223079E-01
  75    0.299061E-06    0.960991E+02 -0.311201E-08 0.109000E-04    0.121744E+00
  76    0.230535E-06    0.941128E+02 -0.244956E-08 0.100000E-04    0.859503E+00
  77   -0.158401E-05    0.919862E+02  0.172201E-07 0.100000E-04    0.960119E+00
  78   -0.884553E-06    0.912219E+02  0.969672E-08 0.100000E-04    0.965007E+00
  79    0.691570E-06    0.884412E+02 -0.781955E-08 0.100000E-04    0.981946E+00
  80    0.452774E-06    0.855959E+02 -0.528966E-08 0.100000E-04    0.909038E+00
  81   -0.131743E-05    0.808316E+02  0.162985E-07 0.100000E-04    0.987577E+00
  82   -0.124784E-05    0.804725E+02  0.155064E-07 0.100000E-04    0.929832E+00
  83   -0.360660E-06    0.779661E+02  0.462585E-08 0.100000E-04    0.834943E+00
  84   -0.274344E-06    0.732939E+02  0.374306E-08 0.100000E-04    0.543685E+00
  85   -0.196513E-05    0.725806E+02  0.270751E-07 0.100000E-04    0.885624E+00
  86   -0.567604E-06    0.679300E+02  0.835572E-08 0.100000E-04    0.842904E+00
  87   -0.782310E-06    0.647735E+02  0.120776E-07 0.100000E-04    0.785893E+00
  88   -0.142670E-05    0.613698E+02  0.232476E-07 0.100000E-04    0.980832E+00
  89   -0.211071E-05    0.598464E+02  0.352689E-07 0.100000E-04    0.938685E+00
  90   -0.214846E-05    0.593961E+02  0.361717E-07 0.100000E-04    0.973691E+00
  91    0.288157E-05    0.581384E+02 -0.495640E-07 0.100000E-04    0.912506E+00
  92    0.346849E-05    0.558838E+02 -0.620661E-07 0.100000E-04    0.943327E+00
  93   -0.329713E-05    0.524503E+02  0.628619E-07 0.100000E-04    0.978139E+00
  94    0.773527E-06    0.520458E+02 -0.148624E-07 0.100000E-04    0.851024E+00
  95   -0.181485E-05    0.502162E+02  0.361408E-07 0.100000E-04    0.875161E+00
  96    0.117126E-05    0.461760E+02 -0.253651E-07 0.100000E-04    0.909269E+00
  97   -0.315413E-05    0.433168E+02  0.728155E-07 0.100000E-04    0.879451E+00
  98   -0.476770E-06    0.409117E+02  0.116536E-07 0.100000E-04    0.645161E+00
  99    0.174963E-05    0.378699E+02 -0.462011E-07 0.100000E-04    0.795481E+00
 100   -0.150853E-05    0.362223E+02  0.416463E-07 0.100000E-04    0.883108E+00
 101    0.105615E-04    0.322844E+02 -0.327140E-06 0.100000E-04    0.933431E+00
 102   -0.101462E-06    0.288879E+02  0.351228E-08 0.100000E-04    0.586954E+00
 103   -0.261761E-05    0.284502E+02  0.920067E-07 0.100000E-04    0.956714E+00
 104    0.217602E-05    0.262877E+02 -0.827773E-07 0.100000E-04    0.839014E+00
 105   -0.581532E-05    0.233369E+02  0.249189E-06 0.100000E-04    0.921199E+00
 106   -0.560755E-05    0.213172E+02  0.263053E-06 0.100000E-04    0.956534E+00
 107   -0.197919E-04    0.198580E+02  0.996671E-06 0.100000E-04    0.913095E+00
 108   -0.227441E-04    0.164600E+02  0.138178E-05 0.100000E-04    0.925158E+00
 109    0.599269E-05    0.139062E+02 -0.430935E-06 0.100000E-04    0.950418E+00
 110    0.883982E-05    0.122426E+02 -0.722054E-06 0.444561E-04    0.841549E+00
 111   -0.380807E-06    0.100933E+02  0.377285E-07 0.100000E-04    0.182975E+01
 112   -0.341691E-01    0.899933E+01  0.100000E-04 0.100000E-04    0.610359E+00
 113   -0.911600E-01    0.573917E+01  0.228282E-04 0.228282E-04    0.154739E+00
 114   -0.913181E+00    0.318157E+01 -0.100000E-04 0.100000E-04    0.759850E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2282821834E-04    0.2666188558    

 Beginning of optimization cycle  565.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997296793
 potential> RMS force:                                               0.0860133017   |gradient|=.9183707530    
 Eigenvalues of the Hessian matrix:
   746.51176    674.11035    630.56161    600.82000    586.39237    578.87758 
   565.07511    487.46814    460.66406    459.79552    441.69053    429.32931 
   421.93012    408.01274    396.36019    387.52787    370.01054    360.56113 
   349.37559    335.27096    329.26726    321.84006    319.09894    309.44155 
   300.84201    290.59857    278.93363    272.71682    268.52842    264.94003 
   263.80934    253.24136    241.56282    240.75565    233.97976    227.50604 
   217.10428    214.88614    213.27277    207.65559    203.01635    195.46706 
   194.82594    191.34273    182.92879    174.32688    172.32722    168.20418 
   163.23560    156.88350    154.89012    152.26281    146.69088    143.36415 
   138.07111    135.87312    130.30224    128.83084    126.89023    124.12062 
   120.00394    118.16191    116.85547    110.35283    106.83342    104.44354 
   102.85245     99.51530     96.09885     94.11259     91.98578     91.22213 
    88.44062     85.59622     80.83168     80.47325     77.96584     73.29370 
    72.58002     67.92967     64.77300     61.36933     59.84618     59.39625 
    58.13831     55.88361     52.45023     52.04536     50.21679     46.17560 
    43.31743     40.91183     37.86980     36.22194     32.28396     28.88823 
    28.45024     26.28796     23.33686     21.31745     19.85792     16.45987 
    13.90630     12.24262     10.09326      9.00092      5.73937      3.18128 
overlap for current and previous eigenvector    109 is         0.9999999878
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999748
overlap for current and previous eigenvector    112 is         0.9999999324
overlap for current and previous eigenvector    113 is         0.9999999213
overlap for current and previous eigenvector    114 is         0.9999999623
J1,K1,R1,R2,RAT=   7   7    0.3032086318E-02     1.996956949        0.9969569488    
FOB,PFOB,DIAG,PSTEP=   -0.1762568665E-06   -0.1767929209E-06     746.5117559        0.2368266658E-09
J1,K1,R1,R2,RAT=   8   8   -0.4583643140E-01     2.045840566        0.9541635686    
FOB,PFOB,DIAG,PSTEP=   -0.4273545970E-06   -0.4086247361E-06     674.1103487        0.6061676580E-09
J1,K1,R1,R2,RAT=   9   9   -0.4848750672E-01     2.048477508        0.9515124933    
FOB,PFOB,DIAG,PSTEP=   -0.7685204295E-06   -0.7329798847E-06     630.5616111        0.1162429708E-08
J1,K1,R1,R2,RAT=  10  10    -2.007128272         4.007136177         1.007128272    
FOB,PFOB,DIAG,PSTEP=   -0.3456708401E-07   -0.1149507839E-07     600.8199960        0.1913224099E-10
J1,K1,R1,R2,RAT=  11  11   -0.1086009814         2.108603174        0.8913990186    
FOB,PFOB,DIAG,PSTEP=    0.3121412327E-07    0.2815632238E-07     586.3923671       -0.4801612895E-10
J1,K1,R1,R2,RAT= 109 109   -0.4498918464E-01     2.044980484        0.9550108154    
FOB,PFOB,DIAG,PSTEP=    0.6262293209E-05    0.5992685980E-05     13.90629926       -0.4309350703E-06
J1,K1,R1,R2,RAT= 110 110   -0.1558458057         2.155843055        0.8441541943    
FOB,PFOB,DIAG,PSTEP=    0.1021747190E-04    0.8839820985E-05     12.24262289       -0.7220538623E-06
J1,K1,R1,R2,RAT= 111 111     1.316505395        0.6835097009        0.3164902991    
FOB,PFOB,DIAG,PSTEP=    0.1205236043E-06   -0.3808067420E-06     10.09326046        0.3772852877E-07
J1,K1,R1,R2,RAT= 112 112    0.3574160347         758.8771690        0.6425839653    
FOB,PFOB,DIAG,PSTEP=   -0.3413688260E-01   -0.3416905333E-01     9.000921192        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7946101137         1392.340523        0.2053898863    
FOB,PFOB,DIAG,PSTEP=   -0.9126406717E-01   -0.9115995760E-01     5.739374348        0.2282821834E-04
J1,K1,R1,R2,RAT= 114 114    0.1941186123        -57409.86452        0.8058813877    
FOB,PFOB,DIAG,PSTEP=   -0.9131869369       -0.9131807614         3.181278538       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03414     -0.09126     -0.91319 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3832593516
 Log product of positive Hessian eigenvalues =          519.0684593191
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1812785377
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000057
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000098
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000074
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000035
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000074
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=        0.0000000162
 Unscaled step for mode   64=       -0.0000000007
 Unscaled step for mode   65=        0.0000000112
 Unscaled step for mode   66=        0.0000000052
 Unscaled step for mode   67=       -0.0000000162
 Unscaled step for mode   68=        0.0000000040
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000129
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=       -0.0000000099
 Unscaled step for mode   73=       -0.0000000019
 Unscaled step for mode   74=        0.0000000005
 Unscaled step for mode   75=       -0.0000000019
 Unscaled step for mode   76=       -0.0000000028
 Unscaled step for mode   77=       -0.0000000166
 Unscaled step for mode   78=        0.0000000099
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000057
 Unscaled step for mode   81=        0.0000000164
 Unscaled step for mode   82=        0.0000000165
 Unscaled step for mode   83=        0.0000000041
 Unscaled step for mode   84=        0.0000000063
 Unscaled step for mode   85=        0.0000000300
 Unscaled step for mode   86=        0.0000000096
 Unscaled step for mode   87=        0.0000000147
 Unscaled step for mode   88=        0.0000000228
 Unscaled step for mode   89=        0.0000000372
 Unscaled step for mode   90=        0.0000000369
 Unscaled step for mode   91=       -0.0000000531
 Unscaled step for mode   92=       -0.0000000650
 Unscaled step for mode   93=        0.0000000638
 Unscaled step for mode   94=       -0.0000000131
 Unscaled step for mode   95=        0.0000000406
 Unscaled step for mode   96=       -0.0000000272
 Unscaled step for mode   97=        0.0000000809
 Unscaled step for mode   98=        0.0000000172
 Unscaled step for mode   99=       -0.0000000561
 Unscaled step for mode  100=        0.0000000462
 Unscaled step for mode  101=       -0.0000003450
 Unscaled step for mode  102=       -0.0000000041
 Unscaled step for mode  103=        0.0000000955
 Unscaled step for mode  104=       -0.0000000741
 Unscaled step for mode  105=        0.0000002661
 Unscaled step for mode  106=        0.0000002722
 Unscaled step for mode  107=        0.0000010719
 Unscaled step for mode  108=        0.0000014703
 Unscaled step for mode  109=       -0.0000004503
 Unscaled step for mode  110=       -0.0000008346
 Unscaled step for mode  111=       -0.0000000119
 Unscaled step for mode  112=        0.0037925442
 Unscaled step for mode  113=        0.0158973778
 Unscaled step for mode  114=       -0.2666416566
 Largest modulus ratio of non-zero e/values=           234.6577790    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.885359E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.987003E-15    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.248969E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.172988E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.863242E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.310696E-14    0.974289E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176257E-06    0.746512E+03  0.236107E-09 0.100000E-04    0.996957E+00
   8   -0.427355E-06    0.674110E+03  0.633953E-09 0.100000E-04    0.954164E+00
   9   -0.768520E-06    0.630562E+03  0.121879E-08 0.100000E-04    0.951512E+00
  10   -0.345671E-07    0.600820E+03  0.575332E-10 0.100000E-04    0.100713E+01
  11    0.312141E-07    0.586392E+03 -0.532308E-10 0.100000E-04    0.891399E+00
  12   -0.109896E-05    0.578878E+03  0.189844E-08 0.100000E-04    0.947413E+00
  13    0.527671E-07    0.565075E+03 -0.933808E-10 0.100000E-04    0.948544E+00
  14    0.466829E-06    0.487468E+03 -0.957660E-09 0.100000E-04    0.937713E+00
  15   -0.454552E-06    0.460664E+03  0.986733E-09 0.100000E-04    0.945069E+00
  16   -0.127827E-06    0.459796E+03  0.278007E-09 0.100000E-04    0.785767E+00
  17   -0.600612E-06    0.441691E+03  0.135980E-08 0.100000E-04    0.909728E+00
  18   -0.450191E-06    0.429329E+03  0.104859E-08 0.100000E-04    0.940362E+00
  19   -0.135279E-06    0.421930E+03  0.320619E-09 0.100000E-04    0.807547E+00
  20   -0.410638E-06    0.408013E+03  0.100643E-08 0.100000E-04    0.928836E+00
  21   -0.456144E-06    0.396360E+03  0.115083E-08 0.100000E-04    0.925831E+00
  22   -0.675946E-06    0.387528E+03  0.174425E-08 0.100000E-04    0.991454E+00
  23    0.870575E-06    0.370011E+03 -0.235284E-08 0.100000E-04    0.929137E+00
  24   -0.461033E-06    0.360561E+03  0.127865E-08 0.100000E-04    0.978306E+00
  25   -0.639889E-07    0.349376E+03  0.183152E-09 0.100000E-04    0.654865E+00
  26   -0.702525E-07    0.335271E+03  0.209540E-09 0.100000E-04    0.602007E+00
  27    0.380818E-06    0.329267E+03 -0.115656E-08 0.100000E-04    0.892471E+00
  28   -0.402570E-06    0.321840E+03  0.125084E-08 0.100000E-04    0.903339E+00
  29   -0.693985E-07    0.319099E+03  0.217483E-09 0.100000E-04    0.350320E+01
  30   -0.142304E-05    0.309442E+03  0.459873E-08 0.100000E-04    0.967389E+00
  31   -0.107828E-05    0.300842E+03  0.358422E-08 0.100000E-04    0.959705E+00
  32   -0.128863E-05    0.290599E+03  0.443441E-08 0.100000E-04    0.972773E+00
  33   -0.179076E-07    0.278934E+03  0.642001E-10 0.100000E-04    0.815355E+00
  34   -0.566744E-07    0.272717E+03  0.207814E-09 0.100000E-04    0.583267E+00
  35    0.110026E-05    0.268528E+03 -0.409736E-08 0.100000E-04    0.973557E+00
  36    0.133602E-05    0.264940E+03 -0.504273E-08 0.100000E-04    0.983642E+00
  37   -0.513354E-06    0.263809E+03  0.194593E-08 0.100000E-04    0.898219E+00
  38   -0.159439E-06    0.253241E+03  0.629591E-09 0.100000E-04    0.988812E+00
  39   -0.326989E-06    0.241563E+03  0.135364E-08 0.100000E-04    0.908806E+00
  40   -0.136522E-05    0.240756E+03  0.567058E-08 0.100000E-04    0.987204E+00
  41   -0.105768E-05    0.233980E+03  0.452037E-08 0.100000E-04    0.996502E+00
  42   -0.179705E-05    0.227506E+03  0.789890E-08 0.100000E-04    0.969210E+00
  43   -0.434263E-07    0.217104E+03  0.200025E-09 0.100000E-04    0.951554E+00
  44   -0.210789E-05    0.214886E+03  0.980935E-08 0.100000E-04    0.970913E+00
  45    0.706460E-06    0.213273E+03 -0.331247E-08 0.100000E-04    0.985645E+00
  46    0.114102E-05    0.207656E+03 -0.549476E-08 0.100000E-04    0.982907E+00
  47   -0.807342E-06    0.203016E+03  0.397673E-08 0.100000E-04    0.968210E+00
  48   -0.123765E-05    0.195467E+03  0.633177E-08 0.100000E-04    0.934675E+00
  49    0.992329E-06    0.194826E+03 -0.509341E-08 0.100000E-04    0.953286E+00
  50    0.141165E-05    0.191343E+03 -0.737759E-08 0.100000E-04    0.885759E+00
  51    0.234670E-06    0.182929E+03 -0.128285E-08 0.100000E-04    0.866087E+00
  52    0.608573E-06    0.174327E+03 -0.349099E-08 0.100000E-04    0.934882E+00
  53    0.758035E-07    0.172327E+03 -0.439881E-09 0.100000E-04    0.780025E+00
  54   -0.230437E-06    0.168204E+03  0.136998E-08 0.100000E-04    0.950106E+00
  55    0.895978E-06    0.163236E+03 -0.548886E-08 0.100000E-04    0.996073E+00
  56    0.141982E-05    0.156884E+03 -0.905014E-08 0.100000E-04    0.973937E+00
  57   -0.403322E-06    0.154890E+03  0.260392E-08 0.100000E-04    0.825106E+00
  58    0.936709E-06    0.152263E+03 -0.615192E-08 0.100000E-04    0.999002E+00
  59    0.686240E-06    0.146691E+03 -0.467814E-08 0.100000E-04    0.997164E+00
  60   -0.224430E-06    0.143364E+03  0.156545E-08 0.100000E-04    0.698161E+00
  61   -0.102415E-05    0.138071E+03  0.741756E-08 0.100000E-04    0.815170E+00
  62   -0.984529E-06    0.135873E+03  0.724595E-08 0.100000E-04    0.974453E+00
  63   -0.210763E-05    0.130302E+03  0.161749E-07 0.100000E-04    0.921579E+00
  64    0.891642E-07    0.128831E+03 -0.692103E-09 0.105107E-04    0.880661E+02
  65   -0.141787E-05    0.126890E+03  0.111740E-07 0.100000E-04    0.887524E+00
  66   -0.644351E-06    0.124121E+03  0.519133E-08 0.100000E-04    0.880463E+00
  67    0.194699E-05    0.120004E+03 -0.162244E-07 0.100000E-04    0.963215E+00
  68   -0.470452E-06    0.118162E+03  0.398142E-08 0.100000E-04    0.933367E+00
  69    0.785518E-07    0.116855E+03 -0.672214E-09 0.100000E-04    0.126459E+01
  70    0.142867E-05    0.110353E+03 -0.129464E-07 0.100000E-04    0.947982E+00
  71   -0.718793E-06    0.106833E+03  0.672817E-08 0.100000E-04    0.924684E+00
  72    0.103675E-05    0.104444E+03 -0.992638E-08 0.100000E-04    0.896313E+00
  73    0.194458E-06    0.102852E+03 -0.189065E-08 0.100000E-04    0.730650E+00
  74   -0.540495E-07    0.995153E+02  0.543127E-09 0.100000E-04    0.568613E+00
  75    0.180054E-06    0.960988E+02 -0.187363E-08 0.100000E-04    0.602062E+00
  76    0.260118E-06    0.941126E+02 -0.276390E-08 0.100000E-04    0.871677E+00
  77    0.153045E-05    0.919858E+02 -0.166379E-07 0.100000E-04    0.966186E+00
  78   -0.907076E-06    0.912221E+02  0.994360E-08 0.100000E-04    0.974538E+00
  79    0.699267E-06    0.884406E+02 -0.790663E-08 0.100000E-04    0.988870E+00
  80    0.491680E-06    0.855962E+02 -0.574418E-08 0.100000E-04    0.914070E+00
  81   -0.132732E-05    0.808317E+02  0.164208E-07 0.100000E-04    0.992494E+00
  82   -0.132425E-05    0.804732E+02  0.164558E-07 0.100000E-04    0.938761E+00
  83   -0.317163E-06    0.779658E+02  0.406798E-08 0.100000E-04    0.879397E+00
  84   -0.464592E-06    0.732937E+02  0.633877E-08 0.100000E-04    0.306530E+00
  85   -0.217969E-05    0.725800E+02  0.300316E-07 0.100000E-04    0.890813E+00
  86   -0.652907E-06    0.679297E+02  0.961152E-08 0.100000E-04    0.849712E+00
  87   -0.953726E-06    0.647730E+02  0.147241E-07 0.100000E-04    0.780883E+00
  88   -0.139672E-05    0.613693E+02  0.227592E-07 0.100000E-04    0.978985E+00
  89   -0.222576E-05    0.598462E+02  0.371914E-07 0.100000E-04    0.945493E+00
  90   -0.219171E-05    0.593963E+02  0.368998E-07 0.100000E-04    0.979868E+00
  91    0.308712E-05    0.581383E+02 -0.530996E-07 0.100000E-04    0.928667E+00
  92    0.363000E-05    0.558836E+02 -0.649564E-07 0.100000E-04    0.953436E+00
  93   -0.334557E-05    0.524502E+02  0.637856E-07 0.100000E-04    0.985309E+00
  94    0.683617E-06    0.520454E+02 -0.131350E-07 0.100000E-04    0.883765E+00
  95   -0.203654E-05    0.502168E+02  0.405549E-07 0.100000E-04    0.877851E+00
  96    0.125521E-05    0.461756E+02 -0.271834E-07 0.100000E-04    0.928324E+00
  97   -0.350651E-05    0.433174E+02  0.809492E-07 0.100000E-04    0.888283E+00
  98   -0.703422E-06    0.409118E+02  0.171936E-07 0.100000E-04    0.524611E+00
  99    0.212610E-05    0.378698E+02 -0.561423E-07 0.100000E-04    0.784830E+00
 100   -0.167252E-05    0.362219E+02  0.461742E-07 0.100000E-04    0.891288E+00
 101    0.111380E-04    0.322840E+02 -0.345000E-06 0.100000E-04    0.945417E+00
 102    0.117550E-06    0.288882E+02 -0.406912E-08 0.100000E-04    0.841448E+00
 103   -0.271590E-05    0.284502E+02  0.954613E-07 0.100000E-04    0.962450E+00
 104    0.194850E-05    0.262880E+02 -0.741214E-07 0.100000E-04    0.895421E+00
 105   -0.620921E-05    0.233369E+02  0.266069E-06 0.100000E-04    0.932266E+00
 106   -0.580345E-05    0.213174E+02  0.272239E-06 0.100000E-04    0.965065E+00
 107   -0.212861E-04    0.198579E+02  0.107192E-05 0.100000E-04    0.924506E+00
 108   -0.242006E-04    0.164599E+02  0.147028E-05 0.100000E-04    0.935959E+00
 109    0.626229E-05    0.139063E+02 -0.450321E-06 0.100000E-04    0.955011E+00
 110    0.102175E-04    0.122426E+02 -0.834582E-06 0.400506E-04    0.844154E+00
 111    0.120524E-06    0.100933E+02 -0.119410E-07 0.100000E-04    0.316490E+00
 112   -0.341369E-01    0.900092E+01  0.100000E-04 0.100000E-04    0.642584E+00
 113   -0.912641E-01    0.573937E+01  0.205660E-04 0.205660E-04    0.205390E+00
 114   -0.913187E+00    0.318128E+01 -0.100000E-04 0.100000E-04    0.805881E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2056596247E-04    0.2666416566    

 Beginning of optimization cycle  566.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997227640
 potential> RMS force:                                               0.0860148526   |gradient|=.9183873117    
 Eigenvalues of the Hessian matrix:
   746.51572    674.10919    630.56463    600.81762    586.39181    578.87790 
   565.07123    487.46788    460.66272    459.79496    441.68993    429.33050 
   421.92952    408.01112    396.35965    387.52642    370.01102    360.56128 
   349.37479    335.27158    329.26814    321.83987    319.09949    309.44039 
   300.84136    290.59862    278.93504    272.71726    268.52859    264.94035 
   263.80995    253.24072    241.56300    240.75612    233.98050    227.50631 
   217.10492    214.88629    213.27248    207.65607    203.01593    195.46624 
   194.82627    191.34320    182.92949    174.32759    172.32744    168.20444 
   163.23528    156.88327    154.89063    152.26264    146.69027    143.36378 
   138.07162    135.87312    130.30199    128.83105    126.89043    124.11953 
   120.00412    118.16206    116.85508    110.35307    106.83326    104.44379 
   102.85252     99.51524     96.09866     94.11239     91.98535     91.22233 
    88.44011     85.59651     80.83174     80.47391     77.96563     73.29352 
    72.57948     67.92941     64.77254     61.36883     59.84597     59.39637 
    58.13827     55.88341     52.45013     52.04500     50.21738     46.17519 
    43.31798     40.91194     37.86977     36.22166     32.28358     28.88856 
    28.45030     26.28822     23.33675     21.31770     19.85781     16.45977 
    13.90636     12.24264     10.09318      9.00241      5.73956      3.18100 
overlap for current and previous eigenvector    109 is         0.9999999895
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999791
overlap for current and previous eigenvector    112 is         0.9999999417
overlap for current and previous eigenvector    113 is         0.9999999309
overlap for current and previous eigenvector    114 is         0.9999999675
J1,K1,R1,R2,RAT=   7   7   -0.1000287975E-01     2.009992266        0.9899971202    
FOB,PFOB,DIAG,PSTEP=   -0.1780199521E-06   -0.1762568665E-06     746.5157177        0.2361072885E-09
J1,K1,R1,R2,RAT=   8   8    0.5244066992E-01     1.947562768        0.9475593301    
FOB,PFOB,DIAG,PSTEP=   -0.4049438742E-06   -0.4273545970E-06     674.1091898        0.6339534734E-09
J1,K1,R1,R2,RAT=   9   9    0.5610915169E-01     1.943881279        0.9438812791    
FOB,PFOB,DIAG,PSTEP=   -0.7253991938E-06   -0.7685204295E-06     630.5646281        0.1218787214E-08
J1,K1,R1,R2,RAT=  10  10    0.7704529519         1.229554971        0.2295470481    
FOB,PFOB,DIAG,PSTEP=   -0.7934877594E-08   -0.3456708401E-07     600.8176160        0.5753317839E-10
J1,K1,R1,R2,RAT=  11  11    0.1542078590         1.845794047        0.8457921410    
FOB,PFOB,DIAG,PSTEP=    0.2640066474E-07    0.3121412327E-07     586.3918082       -0.5323078031E-10
J1,K1,R1,R2,RAT= 109 109    0.4872340766E-01     1.951268076        0.9512680762    
FOB,PFOB,DIAG,PSTEP=    0.5957171645E-05    0.6262293209E-05     13.90635847       -0.4503206132E-06
J1,K1,R1,R2,RAT= 110 110    0.1600194441         1.839977663        0.8399776632    
FOB,PFOB,DIAG,PSTEP=    0.8582475364E-05    0.1021747190E-04     12.24264060       -0.8345819352E-06
J1,K1,R1,R2,RAT= 111 111     3.932761238        -1.932745906        0.9327459060    
FOB,PFOB,DIAG,PSTEP=   -0.3534633213E-06    0.1205236043E-06     10.09318309       -0.1194099813E-07
J1,K1,R1,R2,RAT= 112 112    0.3965148515         757.9976742        0.6034851485    
FOB,PFOB,DIAG,PSTEP=   -0.3410118670E-01   -0.3413688260E-01     9.002411434        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8497517652         1547.179414        0.1502482348    
FOB,PFOB,DIAG,PSTEP=   -0.9136437153E-01   -0.9126406717E-01     5.739561175        0.2056596247E-04
J1,K1,R1,R2,RAT= 114 114    0.2501328945        -57415.38556        0.7498671055    
FOB,PFOB,DIAG,PSTEP=   -0.9131948936       -0.9131869369         3.180997241       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001     -0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000     -0.03410     -0.09136     -0.91319 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3832373796
 Log product of positive Hessian eigenvalues =          519.0685405168
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1809972410
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000004
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=       -0.0000000000
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000032
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000060
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000147
 Unscaled step for mode   64=        0.0000000001
 Unscaled step for mode   65=        0.0000000098
 Unscaled step for mode   66=        0.0000000046
 Unscaled step for mode   67=       -0.0000000155
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=        0.0000000062
 Unscaled step for mode   72=       -0.0000000113
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=        0.0000000010
 Unscaled step for mode   75=       -0.0000000033
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=        0.0000000173
 Unscaled step for mode   78=       -0.0000000096
 Unscaled step for mode   79=       -0.0000000078
 Unscaled step for mode   80=       -0.0000000052
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=        0.0000000153
 Unscaled step for mode   83=        0.0000000047
 Unscaled step for mode   84=        0.0000000033
 Unscaled step for mode   85=        0.0000000266
 Unscaled step for mode   86=        0.0000000081
 Unscaled step for mode   87=        0.0000000115
 Unscaled step for mode   88=        0.0000000232
 Unscaled step for mode   89=        0.0000000349
 Unscaled step for mode   90=        0.0000000359
 Unscaled step for mode   91=       -0.0000000484
 Unscaled step for mode   92=       -0.0000000613
 Unscaled step for mode   93=        0.0000000624
 Unscaled step for mode   94=       -0.0000000150
 Unscaled step for mode   95=        0.0000000355
 Unscaled step for mode   96=       -0.0000000247
 Unscaled step for mode   97=        0.0000000712
 Unscaled step for mode   98=        0.0000000109
 Unscaled step for mode   99=       -0.0000000445
 Unscaled step for mode  100=        0.0000000408
 Unscaled step for mode  101=       -0.0000003221
 Unscaled step for mode  102=        0.0000000053
 Unscaled step for mode  103=        0.0000000914
 Unscaled step for mode  104=       -0.0000000855
 Unscaled step for mode  105=        0.0000002451
 Unscaled step for mode  106=        0.0000002606
 Unscaled step for mode  107=        0.0000009786
 Unscaled step for mode  108=        0.0000013603
 Unscaled step for mode  109=       -0.0000004284
 Unscaled step for mode  110=       -0.0000007010
 Unscaled step for mode  111=        0.0000000350
 Unscaled step for mode  112=        0.0037879514
 Unscaled step for mode  113=        0.0159143233
 Unscaled step for mode  114=       -0.2666641201
 Largest modulus ratio of non-zero e/values=           234.6797753    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.629705E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.193416E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.340439E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.886335E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.602131E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.324805E-14    0.974289E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.178020E-06    0.746516E+03  0.238468E-09 0.100000E-04    0.989997E+00
   8   -0.404944E-06    0.674109E+03  0.600710E-09 0.100000E-04    0.947559E+00
   9   -0.725399E-06    0.630565E+03  0.115040E-08 0.100000E-04    0.943881E+00
  10   -0.793488E-08    0.600818E+03  0.132068E-10 0.100000E-04    0.229547E+00
  11    0.264007E-07    0.586392E+03 -0.450222E-10 0.100000E-04    0.845792E+00
  12   -0.103364E-05    0.578878E+03  0.178559E-08 0.100000E-04    0.940556E+00
  13    0.558917E-07    0.565071E+03 -0.989109E-10 0.100000E-04    0.940785E+00
  14    0.435191E-06    0.487468E+03 -0.892758E-09 0.100000E-04    0.932228E+00
  15   -0.425875E-06    0.460663E+03  0.924484E-09 0.100000E-04    0.936912E+00
  16   -0.101001E-06    0.459795E+03  0.219665E-09 0.100000E-04    0.790139E+00
  17   -0.542367E-06    0.441690E+03  0.122794E-08 0.100000E-04    0.903024E+00
  18   -0.419190E-06    0.429331E+03  0.976380E-09 0.100000E-04    0.931132E+00
  19   -0.173079E-06    0.421930E+03  0.410209E-09 0.100000E-04    0.720574E+00
  20   -0.377955E-06    0.408011E+03  0.926336E-09 0.100000E-04    0.920411E+00
  21   -0.418582E-06    0.396360E+03  0.105607E-08 0.100000E-04    0.917655E+00
  22   -0.667203E-06    0.387526E+03  0.172170E-08 0.100000E-04    0.987066E+00
  23    0.802172E-06    0.370011E+03 -0.216797E-08 0.100000E-04    0.921425E+00
  24   -0.448930E-06    0.360561E+03  0.124509E-08 0.100000E-04    0.973747E+00
  25   -0.102889E-06    0.349375E+03  0.294495E-09 0.100000E-04    0.392076E+00
  26   -0.127099E-06    0.335272E+03  0.379093E-09 0.109000E-04    0.190829E+00
  27    0.335514E-06    0.329268E+03 -0.101897E-08 0.100000E-04    0.881031E+00
  28   -0.358686E-06    0.321840E+03  0.111449E-08 0.100000E-04    0.890990E+00
  29    0.243981E-08    0.319099E+03 -0.764594E-11 0.109000E-04    0.351548E-01
  30   -0.136240E-05    0.309440E+03  0.440277E-08 0.100000E-04    0.957386E+00
  31   -0.102727E-05    0.300841E+03  0.341465E-08 0.100000E-04    0.952688E+00
  32   -0.124474E-05    0.290599E+03  0.428335E-08 0.100000E-04    0.965935E+00
  33    0.302436E-07    0.278935E+03 -0.108425E-09 0.100000E-04    0.311133E+00
  34   -0.106588E-06    0.272717E+03  0.390837E-09 0.109000E-04    0.119292E+00
  35    0.106259E-05    0.268529E+03 -0.395707E-08 0.100000E-04    0.965760E+00
  36    0.130809E-05    0.264940E+03 -0.493730E-08 0.100000E-04    0.979090E+00
  37   -0.457522E-06    0.263810E+03  0.173429E-08 0.100000E-04    0.891236E+00
  38   -0.161223E-06    0.253241E+03  0.636641E-09 0.100000E-04    0.988806E+00
  39   -0.368947E-06    0.241563E+03  0.152733E-08 0.100000E-04    0.871684E+00
  40   -0.134225E-05    0.240756E+03  0.557515E-08 0.100000E-04    0.983169E+00
  41   -0.106237E-05    0.233981E+03  0.454042E-08 0.100000E-04    0.995562E+00
  42   -0.172587E-05    0.227506E+03  0.758604E-08 0.100000E-04    0.960390E+00
  43   -0.391533E-07    0.217105E+03  0.180343E-09 0.100000E-04    0.901599E+00
  44   -0.203401E-05    0.214886E+03  0.946551E-08 0.100000E-04    0.964947E+00
  45    0.716200E-06    0.213272E+03 -0.335815E-08 0.100000E-04    0.986213E+00
  46    0.111946E-05    0.207656E+03 -0.539091E-08 0.100000E-04    0.981099E+00
  47   -0.777859E-06    0.203016E+03  0.383152E-08 0.100000E-04    0.963482E+00
  48   -0.114256E-05    0.195466E+03  0.584531E-08 0.100000E-04    0.923168E+00
  49    0.940356E-06    0.194826E+03 -0.482664E-08 0.100000E-04    0.947622E+00
  50    0.123673E-05    0.191343E+03 -0.646341E-08 0.100000E-04    0.876084E+00
  51    0.200840E-06    0.182929E+03 -0.109791E-08 0.100000E-04    0.855833E+00
  52    0.562025E-06    0.174328E+03 -0.322396E-08 0.100000E-04    0.923506E+00
  53    0.102254E-06    0.172327E+03 -0.593368E-09 0.100000E-04    0.651071E+00
  54   -0.243745E-06    0.168204E+03  0.144910E-08 0.100000E-04    0.942249E+00
  55    0.894854E-06    0.163235E+03 -0.548199E-08 0.100000E-04    0.998746E+00
  56    0.137603E-05    0.156883E+03 -0.877105E-08 0.100000E-04    0.969161E+00
  57   -0.334405E-06    0.154891E+03  0.215898E-08 0.100000E-04    0.829121E+00
  58    0.934022E-06    0.152263E+03 -0.613428E-08 0.100000E-04    0.997131E+00
  59    0.681181E-06    0.146690E+03 -0.464367E-08 0.100000E-04    0.992628E+00
  60   -0.164631E-06    0.143364E+03  0.114835E-08 0.100000E-04    0.733552E+00
  61   -0.834174E-06    0.138072E+03  0.604161E-08 0.100000E-04    0.814497E+00
  62   -0.952542E-06    0.135873E+03  0.701053E-08 0.100000E-04    0.967511E+00
  63   -0.192079E-05    0.130302E+03  0.147410E-07 0.100000E-04    0.911348E+00
  64   -0.177023E-07    0.128831E+03  0.137407E-09 0.114567E-04    0.198534E+00
  65   -0.124899E-05    0.126890E+03  0.984305E-08 0.100000E-04    0.880889E+00
  66   -0.564938E-06    0.124120E+03  0.455156E-08 0.100000E-04    0.876753E+00
  67    0.186156E-05    0.120004E+03 -0.155125E-07 0.100000E-04    0.956120E+00
  68   -0.435198E-06    0.118162E+03  0.368306E-08 0.100000E-04    0.925060E+00
  69    0.184503E-07    0.116855E+03 -0.157890E-09 0.100000E-04    0.234877E+00
  70    0.134298E-05    0.110353E+03 -0.121699E-07 0.100000E-04    0.940018E+00
  71   -0.659021E-06    0.106833E+03  0.616869E-08 0.100000E-04    0.916843E+00
  72    0.117923E-05    0.104444E+03 -0.112906E-07 0.100000E-04    0.862564E+00
  73    0.145178E-06    0.102853E+03 -0.141152E-08 0.100000E-04    0.746575E+00
  74   -0.100113E-06    0.995152E+02  0.100601E-08 0.109000E-04    0.147744E+00
  75    0.317529E-06    0.960987E+02 -0.330420E-08 0.100000E-04    0.236473E+00
  76    0.223241E-06    0.941124E+02 -0.237206E-08 0.100000E-04    0.858229E+00
  77   -0.159017E-05    0.919854E+02  0.172872E-07 0.100000E-04    0.960976E+00
  78    0.875657E-06    0.912223E+02 -0.959915E-08 0.100000E-04    0.965357E+00
  79    0.686699E-06    0.884401E+02 -0.776456E-08 0.100000E-04    0.982026E+00
  80    0.447041E-06    0.855965E+02 -0.522266E-08 0.100000E-04    0.909204E+00
  81   -0.131114E-05    0.808317E+02  0.162206E-07 0.100000E-04    0.987805E+00
  82   -0.123172E-05    0.804739E+02  0.153058E-07 0.100000E-04    0.930108E+00
  83   -0.367704E-06    0.779656E+02  0.471623E-08 0.100000E-04    0.840647E+00
  84   -0.238448E-06    0.732935E+02  0.325333E-08 0.100000E-04    0.513240E+00
  85   -0.193032E-05    0.725795E+02  0.265959E-07 0.100000E-04    0.885589E+00
  86   -0.549131E-06    0.679294E+02  0.808384E-08 0.100000E-04    0.841054E+00
  87   -0.743900E-06    0.647725E+02  0.114848E-07 0.100000E-04    0.779991E+00
  88   -0.142350E-05    0.613688E+02  0.231958E-07 0.100000E-04    0.980824E+00
  89   -0.209080E-05    0.598460E+02  0.349364E-07 0.100000E-04    0.939363E+00
  90   -0.213470E-05    0.593964E+02  0.359399E-07 0.100000E-04    0.973984E+00
  91    0.281563E-05    0.581383E+02 -0.484298E-07 0.100000E-04    0.912056E+00
  92    0.342495E-05    0.558834E+02 -0.612874E-07 0.100000E-04    0.943513E+00
  93   -0.327311E-05    0.524501E+02  0.624042E-07 0.100000E-04    0.978342E+00
  94    0.782390E-06    0.520450E+02 -0.150329E-07 0.100000E-04    0.855514E+00
  95   -0.178229E-05    0.502174E+02  0.354915E-07 0.100000E-04    0.875133E+00
  96    0.114016E-05    0.461752E+02 -0.246920E-07 0.100000E-04    0.908338E+00
  97   -0.308246E-05    0.433180E+02  0.711588E-07 0.100000E-04    0.879042E+00
  98   -0.445934E-06    0.409119E+02  0.108999E-07 0.100000E-04    0.633945E+00
  99    0.168382E-05    0.378698E+02 -0.444634E-07 0.100000E-04    0.791977E+00
 100   -0.147635E-05    0.362217E+02  0.407587E-07 0.100000E-04    0.882709E+00
 101    0.103971E-04    0.322836E+02 -0.322055E-06 0.100000E-04    0.933482E+00
 102   -0.152635E-06    0.288886E+02  0.528359E-08 0.100000E-04    0.701528E+00
 103   -0.259982E-05    0.284503E+02  0.913811E-07 0.100000E-04    0.957256E+00
 104    0.224773E-05    0.262882E+02 -0.855033E-07 0.100000E-04    0.846432E+00
 105   -0.571964E-05    0.233368E+02  0.245092E-06 0.100000E-04    0.921154E+00
 106   -0.555450E-05    0.213177E+02  0.260558E-06 0.100000E-04    0.957080E+00
 107   -0.194323E-04    0.198578E+02  0.978571E-06 0.100000E-04    0.912909E+00
 108   -0.223909E-04    0.164598E+02  0.136034E-05 0.100000E-04    0.925222E+00
 109    0.595717E-05    0.139064E+02 -0.428378E-06 0.100000E-04    0.951268E+00
 110    0.858248E-05    0.122426E+02 -0.701031E-06 0.360816E-04    0.839978E+00
 111   -0.353463E-06    0.100932E+02  0.350200E-07 0.100000E-04    0.932746E+00
 112   -0.341012E-01    0.900241E+01  0.100000E-04 0.100000E-04    0.603485E+00
 113   -0.913644E-01    0.573956E+01  0.224169E-04 0.224169E-04    0.150248E+00
 114   -0.913195E+00    0.318100E+01 -0.100000E-04 0.100000E-04    0.749867E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2241689909E-04    0.2666641201    

 Beginning of optimization cycle  567.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997160191
 potential> RMS force:                                               0.0860163033   |gradient|=.9184028008    
 Eigenvalues of the Hessian matrix:
   746.51977    674.10783    630.56775    600.81525    586.39118    578.87822 
   565.06712    487.46751    460.66133    459.79438    441.68928    429.33185 
   421.92889    408.00941    396.35906    387.52492    370.01151    360.56146 
   349.37403    335.27224    329.26906    321.83963    319.10017    309.43920 
   300.84076    290.59869    278.93656    272.71772    268.52883    264.94070 
   263.81064    253.24009    241.56326    240.75661    233.98132    227.50665 
   217.10564    214.88644    213.27218    207.65658    203.01549    195.46540 
   194.82666    191.34369    182.93024    174.32835    172.32769    168.20472 
   163.23493    156.88304    154.89116    152.26245    146.68963    143.36337 
   138.07217    135.87313    130.30171    128.83128    126.89064    124.11837 
   120.00430    118.16220    116.85463    110.35332    106.83307    104.44404 
   102.85259     99.51517     96.09845     94.11216     91.98493     91.22257 
    88.43958     85.59684     80.83182     80.47462     77.96541     73.29330 
    72.57889     67.92911     64.77205     61.36834     59.84575     59.39648 
    58.13821     55.88318     52.45002     52.04461     50.21799     46.17474 
    43.31857     40.91206     37.86972     36.22130     32.28319     28.88890 
    28.45036     26.28849     23.33666     21.31793     19.85771     16.45967 
    13.90642     12.24266     10.09311      9.00399      5.73977      3.18071 
overlap for current and previous eigenvector    109 is         0.9999999881
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999753
overlap for current and previous eigenvector    112 is         0.9999999339
overlap for current and previous eigenvector    113 is         0.9999999234
overlap for current and previous eigenvector    114 is         0.9999999635
J1,K1,R1,R2,RAT=   7   7    0.3033261336E-02     1.996955880        0.9969558803    
FOB,PFOB,DIAG,PSTEP=   -0.1774799682E-06   -0.1780199521E-06     746.5197707        0.2384677883E-09
J1,K1,R1,R2,RAT=   8   8   -0.4542971326E-01     2.045433757        0.9545702867    
FOB,PFOB,DIAG,PSTEP=   -0.4233403211E-06   -0.4049438742E-06     674.1078268        0.6007096184E-09
J1,K1,R1,R2,RAT=   9   9   -0.4806449434E-01     2.048054599        0.9519355057    
FOB,PFOB,DIAG,PSTEP=   -0.7602653118E-06   -0.7253991938E-06     630.5677478        0.1150396266E-08
J1,K1,R1,R2,RAT=  10  10    -2.859461257         4.859469136         1.859461257    
FOB,PFOB,DIAG,PSTEP=   -0.3062426327E-07   -0.7934877594E-08     600.8152491        0.1320679917E-10
J1,K1,R1,R2,RAT=  11  11   -0.1125040559         2.112506192        0.8874959441    
FOB,PFOB,DIAG,PSTEP=    0.2937084342E-07    0.2640066474E-07     586.3911818       -0.4502222638E-10
J1,K1,R1,R2,RAT= 109 109   -0.4431056612E-01     2.044301864        0.9556894339    
FOB,PFOB,DIAG,PSTEP=    0.6221138441E-05    0.5957171645E-05     13.90641898       -0.4283775409E-06
J1,K1,R1,R2,RAT= 110 110   -0.1576785263         2.157675673        0.8423214737    
FOB,PFOB,DIAG,PSTEP=    0.9935749362E-05    0.8582475364E-05     12.24265806       -0.7010313908E-06
J1,K1,R1,R2,RAT= 111 111     1.401146361        0.5988686210        0.4011313790    
FOB,PFOB,DIAG,PSTEP=    0.1417868152E-06   -0.3534633213E-06     10.09310748        0.3502000491E-07
J1,K1,R1,R2,RAT= 112 112    0.3649046080         757.1036616        0.6350953920    
FOB,PFOB,DIAG,PSTEP=   -0.3406833073E-01   -0.3410118670E-01     9.003987285        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7986367116         1420.958266        0.2013632884    
FOB,PFOB,DIAG,PSTEP=   -0.9146713032E-01   -0.9136437153E-01     5.739765731        0.2241689909E-04
J1,K1,R1,R2,RAT= 114 114    0.2048852512        -57421.09024        0.7951147488    
FOB,PFOB,DIAG,PSTEP=   -0.9132014104       -0.9131948936         3.180706421       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03407     -0.09147     -0.91320 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3832167801
 Log product of positive Hessian eigenvalues =          519.0686273069
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1807064207
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000034
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=        0.0000000072
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=        0.0000000159
 Unscaled step for mode   64=       -0.0000000005
 Unscaled step for mode   65=        0.0000000110
 Unscaled step for mode   66=        0.0000000051
 Unscaled step for mode   67=       -0.0000000161
 Unscaled step for mode   68=        0.0000000039
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000128
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=       -0.0000000102
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=        0.0000000006
 Unscaled step for mode   75=       -0.0000000021
 Unscaled step for mode   76=       -0.0000000027
 Unscaled step for mode   77=       -0.0000000167
 Unscaled step for mode   78=       -0.0000000098
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000057
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=        0.0000000162
 Unscaled step for mode   83=        0.0000000042
 Unscaled step for mode   84=        0.0000000058
 Unscaled step for mode   85=        0.0000000295
 Unscaled step for mode   86=        0.0000000093
 Unscaled step for mode   87=        0.0000000141
 Unscaled step for mode   88=        0.0000000227
 Unscaled step for mode   89=        0.0000000368
 Unscaled step for mode   90=        0.0000000367
 Unscaled step for mode   91=       -0.0000000519
 Unscaled step for mode   92=       -0.0000000641
 Unscaled step for mode   93=        0.0000000633
 Unscaled step for mode   94=       -0.0000000133
 Unscaled step for mode   95=        0.0000000398
 Unscaled step for mode   96=       -0.0000000265
 Unscaled step for mode   97=        0.0000000791
 Unscaled step for mode   98=        0.0000000163
 Unscaled step for mode   99=       -0.0000000542
 Unscaled step for mode  100=        0.0000000452
 Unscaled step for mode  101=       -0.0000003396
 Unscaled step for mode  102=       -0.0000000022
 Unscaled step for mode  103=        0.0000000948
 Unscaled step for mode  104=       -0.0000000770
 Unscaled step for mode  105=        0.0000002617
 Unscaled step for mode  106=        0.0000002695
 Unscaled step for mode  107=        0.0000010525
 Unscaled step for mode  108=        0.0000014473
 Unscaled step for mode  109=       -0.0000004474
 Unscaled step for mode  110=       -0.0000008116
 Unscaled step for mode  111=       -0.0000000140
 Unscaled step for mode  112=        0.0037836396
 Unscaled step for mode  113=        0.0159316458
 Unscaled step for mode  114=       -0.2666869146
 Largest modulus ratio of non-zero e/values=           234.7025069    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.671555E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.204144E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.438285E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.481061E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.416117E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.343909E-14    0.974289E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177480E-06    0.746520E+03  0.237743E-09 0.100000E-04    0.996956E+00
   8   -0.423340E-06    0.674108E+03  0.628001E-09 0.100000E-04    0.954570E+00
   9   -0.760265E-06    0.630568E+03  0.120568E-08 0.100000E-04    0.951936E+00
  10   -0.306243E-07    0.600815E+03  0.509712E-10 0.100000E-04    0.185946E+01
  11    0.293708E-07    0.586391E+03 -0.500875E-10 0.100000E-04    0.887496E+00
  12   -0.108752E-05    0.578878E+03  0.187867E-08 0.100000E-04    0.947873E+00
  13    0.530698E-07    0.565067E+03 -0.939177E-10 0.100000E-04    0.949511E+00
  14    0.462055E-06    0.487468E+03 -0.947867E-09 0.100000E-04    0.938272E+00
  15   -0.449113E-06    0.460661E+03  0.974932E-09 0.100000E-04    0.945435E+00
  16   -0.123161E-06    0.459794E+03  0.267860E-09 0.100000E-04    0.780597E+00
  17   -0.591203E-06    0.441689E+03  0.133851E-08 0.100000E-04    0.909957E+00
  18   -0.444063E-06    0.429332E+03  0.103431E-08 0.100000E-04    0.940663E+00
  19   -0.141373E-06    0.421929E+03  0.335064E-09 0.100000E-04    0.816810E+00
  20   -0.404727E-06    0.408009E+03  0.991954E-09 0.100000E-04    0.929168E+00
  21   -0.449517E-06    0.396359E+03  0.113412E-08 0.100000E-04    0.926097E+00
  22   -0.672779E-06    0.387525E+03  0.173609E-08 0.100000E-04    0.991643E+00
  23    0.858725E-06    0.370012E+03 -0.232081E-08 0.100000E-04    0.929499E+00
  24   -0.458502E-06    0.360561E+03  0.127163E-08 0.100000E-04    0.978679E+00
  25   -0.697328E-07    0.349374E+03  0.199593E-09 0.100000E-04    0.677745E+00
  26   -0.814199E-07    0.335272E+03  0.242847E-09 0.100000E-04    0.640599E+00
  27    0.371816E-06    0.329269E+03 -0.112922E-08 0.100000E-04    0.891803E+00
  28   -0.393536E-06    0.321840E+03  0.122277E-08 0.100000E-04    0.902840E+00
  29   -0.533957E-07    0.319100E+03  0.167332E-09 0.100000E-04    0.198851E+02
  30   -0.140648E-05    0.309439E+03  0.454526E-08 0.100000E-04    0.967641E+00
  31   -0.106825E-05    0.300841E+03  0.355087E-08 0.100000E-04    0.960110E+00
  32   -0.127823E-05    0.290599E+03  0.439860E-08 0.100000E-04    0.973094E+00
  33   -0.897332E-08    0.278937E+03  0.321697E-10 0.100000E-04    0.296695E+00
  34   -0.667535E-07    0.272718E+03  0.244771E-09 0.100000E-04    0.626272E+00
  35    0.109037E-05    0.268529E+03 -0.406055E-08 0.100000E-04    0.973849E+00
  36    0.132910E-05    0.264941E+03 -0.501659E-08 0.100000E-04    0.983938E+00
  37   -0.504104E-06    0.263811E+03  0.191086E-08 0.100000E-04    0.898186E+00
  38   -0.159415E-06    0.253240E+03  0.629502E-09 0.100000E-04    0.988784E+00
  39   -0.336689E-06    0.241563E+03  0.139379E-08 0.100000E-04    0.912566E+00
  40   -0.135911E-05    0.240757E+03  0.564515E-08 0.100000E-04    0.987441E+00
  41   -0.105864E-05    0.233981E+03  0.452448E-08 0.100000E-04    0.996486E+00
  42   -0.177848E-05    0.227507E+03  0.781729E-08 0.100000E-04    0.969515E+00
  43   -0.411056E-07    0.217106E+03  0.189335E-09 0.100000E-04    0.950137E+00
  44   -0.209239E-05    0.214886E+03  0.973718E-08 0.100000E-04    0.971298E+00
  45    0.706037E-06    0.213272E+03 -0.331050E-08 0.100000E-04    0.985809E+00
  46    0.113823E-05    0.207657E+03 -0.548130E-08 0.100000E-04    0.983230E+00
  47   -0.802237E-06    0.203015E+03  0.395161E-08 0.100000E-04    0.968660E+00
  48   -0.121712E-05    0.195465E+03  0.622675E-08 0.100000E-04    0.934748E+00
  49    0.983854E-06    0.194827E+03 -0.504989E-08 0.100000E-04    0.953743E+00
  50    0.137882E-05    0.191344E+03 -0.720598E-08 0.100000E-04    0.885108E+00
  51    0.228067E-06    0.182930E+03 -0.124674E-08 0.100000E-04    0.864436E+00
  52    0.598576E-06    0.174328E+03 -0.343361E-08 0.100000E-04    0.934966E+00
  53    0.812674E-07    0.172328E+03 -0.471586E-09 0.100000E-04    0.794760E+00
  54   -0.231837E-06    0.168205E+03  0.137830E-08 0.100000E-04    0.951145E+00
  55    0.891253E-06    0.163235E+03 -0.545994E-08 0.100000E-04    0.995976E+00
  56    0.141138E-05    0.156883E+03 -0.899637E-08 0.100000E-04    0.974313E+00
  57   -0.393372E-06    0.154891E+03  0.253966E-08 0.100000E-04    0.823669E+00
  58    0.933029E-06    0.152262E+03 -0.612777E-08 0.100000E-04    0.998937E+00
  59    0.683011E-06    0.146690E+03 -0.465616E-08 0.100000E-04    0.997314E+00
  60   -0.215769E-06    0.143363E+03  0.150505E-08 0.100000E-04    0.689381E+00
  61   -0.991133E-06    0.138072E+03  0.717837E-08 0.100000E-04    0.811840E+00
  62   -0.976609E-06    0.135873E+03  0.718765E-08 0.100000E-04    0.974734E+00
  63   -0.207135E-05    0.130302E+03  0.158966E-07 0.100000E-04    0.921613E+00
  64    0.690304E-07    0.128831E+03 -0.535820E-09 0.103214E-04    0.189951E+01
  65   -0.138975E-05    0.126891E+03  0.109523E-07 0.100000E-04    0.887303E+00
  66   -0.632590E-06    0.124118E+03  0.509667E-08 0.100000E-04    0.880247E+00
  67    0.192930E-05    0.120004E+03 -0.160769E-07 0.100000E-04    0.963612E+00
  68   -0.464025E-06    0.118162E+03  0.392701E-08 0.100000E-04    0.933761E+00
  69    0.719852E-07    0.116855E+03 -0.616024E-09 0.100000E-04    0.190159E+01
  70    0.141228E-05    0.110353E+03 -0.127978E-07 0.100000E-04    0.948406E+00
  71   -0.708558E-06    0.106833E+03  0.663238E-08 0.100000E-04    0.924832E+00
  72    0.106128E-05    0.104444E+03 -0.101612E-07 0.100000E-04    0.899971E+00
  73    0.185613E-06    0.102853E+03 -0.180465E-08 0.100000E-04    0.721478E+00
  74   -0.598243E-07    0.995152E+02  0.601157E-09 0.100000E-04    0.597564E+00
  75    0.200519E-06    0.960985E+02 -0.208660E-08 0.100000E-04    0.631497E+00
  76    0.252162E-06    0.941122E+02 -0.267938E-08 0.100000E-04    0.870446E+00
  77    0.153743E-05    0.919849E+02 -0.167139E-07 0.100000E-04    0.966832E+00
  78    0.897706E-06    0.912226E+02 -0.984083E-08 0.100000E-04    0.974820E+00
  79    0.694261E-06    0.884396E+02 -0.785012E-08 0.100000E-04    0.988986E+00
  80    0.485348E-06    0.855968E+02 -0.567016E-08 0.100000E-04    0.914311E+00
  81   -0.132074E-05    0.808318E+02  0.163393E-07 0.100000E-04    0.992680E+00
  82   -0.130678E-05    0.804746E+02  0.162384E-07 0.100000E-04    0.939063E+00
  83   -0.324799E-06    0.779654E+02  0.416594E-08 0.100000E-04    0.883316E+00
  84   -0.425267E-06    0.732933E+02  0.580227E-08 0.100000E-04    0.216517E+00
  85   -0.214119E-05    0.725789E+02  0.295016E-07 0.100000E-04    0.890753E+00
  86   -0.632866E-06    0.679291E+02  0.931657E-08 0.100000E-04    0.847512E+00
  87   -0.912372E-06    0.647721E+02  0.140859E-07 0.100000E-04    0.773527E+00
  88   -0.139369E-05    0.613683E+02  0.227102E-07 0.100000E-04    0.979055E+00
  89   -0.220357E-05    0.598457E+02  0.368209E-07 0.100000E-04    0.946063E+00
  90   -0.217726E-05    0.593965E+02  0.366563E-07 0.100000E-04    0.980064E+00
  91    0.301718E-05    0.581382E+02 -0.518967E-07 0.100000E-04    0.928416E+00
  92    0.358360E-05    0.558832E+02 -0.641267E-07 0.100000E-04    0.953676E+00
  93   -0.332052E-05    0.524500E+02  0.633083E-07 0.100000E-04    0.985516E+00
  94    0.693839E-06    0.520446E+02 -0.133316E-07 0.100000E-04    0.886819E+00
  95   -0.200014E-05    0.502180E+02  0.398291E-07 0.100000E-04    0.877772E+00
  96    0.122238E-05    0.461747E+02 -0.264729E-07 0.100000E-04    0.927883E+00
  97   -0.342830E-05    0.433186E+02  0.791416E-07 0.100000E-04    0.887803E+00
  98   -0.668765E-06    0.409121E+02  0.163464E-07 0.100000E-04    0.500306E+00
  99    0.205367E-05    0.378697E+02 -0.542300E-07 0.100000E-04    0.780349E+00
 100   -0.163736E-05    0.362213E+02  0.452043E-07 0.100000E-04    0.890938E+00
 101    0.109629E-04    0.322832E+02 -0.339586E-06 0.100000E-04    0.945580E+00
 102    0.627900E-07    0.288889E+02 -0.217350E-08 0.100000E-04    0.411356E+00
 103   -0.269625E-05    0.284504E+02  0.947704E-07 0.100000E-04    0.962908E+00
 104    0.202329E-05    0.262885E+02 -0.769649E-07 0.100000E-04    0.900129E+00
 105   -0.610661E-05    0.233367E+02  0.261674E-06 0.100000E-04    0.932344E+00
 106   -0.574605E-05    0.213179E+02  0.269541E-06 0.100000E-04    0.965516E+00
 107   -0.209000E-04    0.198577E+02  0.105249E-05 0.100000E-04    0.924469E+00
 108   -0.238215E-04    0.164597E+02  0.144727E-05 0.100000E-04    0.936109E+00
 109    0.622114E-05    0.139064E+02 -0.447357E-06 0.100000E-04    0.955689E+00
 110    0.993575E-05    0.122427E+02 -0.811568E-06 0.325059E-04    0.842321E+00
 111    0.141787E-06    0.100931E+02 -0.140479E-07 0.100000E-04    0.401131E+00
 112   -0.340683E-01    0.900399E+01  0.100000E-04 0.100000E-04    0.635095E+00
 113   -0.914671E-01    0.573977E+01  0.201954E-04 0.201954E-04    0.201363E+00
 114   -0.913201E+00    0.318071E+01 -0.100000E-04 0.100000E-04    0.795115E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2019540459E-04    0.2666869146    

 Beginning of optimization cycle  568.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997090732
 potential> RMS force:                                               0.0860178714   |gradient|=.9184195443    
 Eigenvalues of the Hessian matrix:
   746.52370    674.10669    630.57073    600.81288    586.39064    578.87853 
   565.06329    487.46727    460.65999    459.79383    441.68869    429.33302 
   421.92828    408.00780    396.35851    387.52347    370.01199    360.56160 
   349.37323    335.27285    329.26993    321.83944    319.10070    309.43805 
   300.84011    290.59873    278.93795    272.71816    268.52899    264.94102 
   263.81124    253.23944    241.56343    240.75707    233.98205    227.50690 
   217.10626    214.88659    213.27189    207.65705    203.01508    195.46458 
   194.82699    191.34416    182.93092    174.32905    172.32791    168.20497 
   163.23461    156.88282    154.89166    152.26228    146.68903    143.36300 
   138.07267    135.87313    130.30148    128.83149    126.89085    124.11730 
   120.00448    118.16235    116.85424    110.35355    106.83291    104.44429 
   102.85267     99.51511     96.09827     94.11196     91.98451     91.22277 
    88.43908     85.59713     80.83189     80.47528     77.96520     73.29312 
    72.57836     67.92886     64.77160     61.36784     59.84554     59.39660 
    58.13818     55.88299     52.44993     52.04426     50.21857     46.17434 
    43.31912     40.91218     37.86970     36.22103     32.28281     28.88923 
    28.45041     26.28875     23.33655     21.31818     19.85760     16.45957 
    13.90648     12.24268     10.09303      9.00546      5.73995      3.18043 
overlap for current and previous eigenvector    109 is         0.9999999897
overlap for current and previous eigenvector    110 is        -0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999795
overlap for current and previous eigenvector    112 is        -0.9999999429
overlap for current and previous eigenvector    113 is        -0.9999999328
overlap for current and previous eigenvector    114 is        -0.9999999685
J1,K1,R1,R2,RAT=   7   7   -0.9875911427E-02     2.009865397        0.9901240886    
FOB,PFOB,DIAG,PSTEP=   -0.1792327538E-06   -0.1774799682E-06     746.5236953        0.2377431585E-09
J1,K1,R1,R2,RAT=   8   8    0.5197834867E-01     1.948025011        0.9480216513    
FOB,PFOB,DIAG,PSTEP=   -0.4013358272E-06   -0.4233403211E-06     674.1066944        0.6280008987E-09
J1,K1,R1,R2,RAT=   9   9    0.5562904530E-01     1.944361480        0.9443614804    
FOB,PFOB,DIAG,PSTEP=   -0.7179722780E-06   -0.7602653118E-06     630.5707349        0.1205683790E-08
J1,K1,R1,R2,RAT=  10  10    0.8554580056         1.144549892        0.1445419944    
FOB,PFOB,DIAG,PSTEP=   -0.4426595534E-08   -0.3062426327E-07     600.8128768        0.5097118176E-10
J1,K1,R1,R2,RAT=  11  11    0.1597168122         1.840285044        0.8402831878    
FOB,PFOB,DIAG,PSTEP=    0.2467983029E-07    0.2937084342E-07     586.3906378       -0.5008745754E-10
J1,K1,R1,R2,RAT= 109 109    0.4799546597E-01     1.951996012        0.9519960124    
FOB,PFOB,DIAG,PSTEP=    0.5922550731E-05    0.6221138441E-05     13.90647823       -0.4473573283E-06
J1,K1,R1,R2,RAT= 110 110     1.838341481        0.1616555277        0.8383414812    
FOB,PFOB,DIAG,PSTEP=   -0.8329578154E-05    0.9935749362E-05     12.24267637       -0.8115679873E-06
J1,K1,R1,R2,RAT= 111 111    -1.307372806         3.307388026        0.3073728062    
FOB,PFOB,DIAG,PSTEP=    0.3271536310E-06    0.1417868152E-06     10.09303068       -0.1404788520E-07
J1,K1,R1,R2,RAT= 112 112     756.2116072        0.4032552067        0.5967447933    
FOB,PFOB,DIAG,PSTEP=    0.3403201574E-01   -0.3406833073E-01     9.005461675        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1578.954275       -0.8543463672        0.1456536328    
FOB,PFOB,DIAG,PSTEP=    0.9156616665E-01   -0.9146713032E-01     5.739948438        0.2019540459E-04
J1,K1,R1,R2,RAT= 114 114    -57426.61191        0.2599723314        0.7400276686    
FOB,PFOB,DIAG,PSTEP=    0.9132096786       -0.9132014104         3.180426336       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001      0.00000      0.03403      0.09157      0.91321 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3831945934
 Log product of positive Hessian eigenvalues =          519.0687074472
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1804263359
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000004
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=       -0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000057
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000032
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000015
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000058
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000145
 Unscaled step for mode   64=        0.0000000003
 Unscaled step for mode   65=        0.0000000096
 Unscaled step for mode   66=       -0.0000000045
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=        0.0000000061
 Unscaled step for mode   72=       -0.0000000115
 Unscaled step for mode   73=        0.0000000013
 Unscaled step for mode   74=        0.0000000011
 Unscaled step for mode   75=       -0.0000000035
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=       -0.0000000174
 Unscaled step for mode   78=        0.0000000095
 Unscaled step for mode   79=       -0.0000000077
 Unscaled step for mode   80=       -0.0000000052
 Unscaled step for mode   81=        0.0000000161
 Unscaled step for mode   82=       -0.0000000151
 Unscaled step for mode   83=       -0.0000000048
 Unscaled step for mode   84=        0.0000000028
 Unscaled step for mode   85=        0.0000000261
 Unscaled step for mode   86=       -0.0000000078
 Unscaled step for mode   87=        0.0000000109
 Unscaled step for mode   88=       -0.0000000231
 Unscaled step for mode   89=        0.0000000346
 Unscaled step for mode   90=        0.0000000357
 Unscaled step for mode   91=        0.0000000473
 Unscaled step for mode   92=        0.0000000605
 Unscaled step for mode   93=        0.0000000620
 Unscaled step for mode   94=        0.0000000152
 Unscaled step for mode   95=       -0.0000000349
 Unscaled step for mode   96=       -0.0000000240
 Unscaled step for mode   97=       -0.0000000695
 Unscaled step for mode   98=        0.0000000102
 Unscaled step for mode   99=       -0.0000000428
 Unscaled step for mode  100=       -0.0000000399
 Unscaled step for mode  101=        0.0000003171
 Unscaled step for mode  102=       -0.0000000070
 Unscaled step for mode  103=       -0.0000000908
 Unscaled step for mode  104=        0.0000000882
 Unscaled step for mode  105=       -0.0000002411
 Unscaled step for mode  106=       -0.0000002581
 Unscaled step for mode  107=       -0.0000009608
 Unscaled step for mode  108=       -0.0000013393
 Unscaled step for mode  109=       -0.0000004259
 Unscaled step for mode  110=        0.0000006804
 Unscaled step for mode  111=       -0.0000000324
 Unscaled step for mode  112=       -0.0037789878
 Unscaled step for mode  113=       -0.0159483796
 Unscaled step for mode  114=        0.2667093752
 Largest modulus ratio of non-zero e/values=           234.7244100    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.818464E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.223384E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.431404E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.614551E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.321791E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.311934E-14    0.974290E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.179233E-06    0.746524E+03  0.240090E-09 0.100000E-04    0.990124E+00
   8   -0.401336E-06    0.674107E+03  0.595360E-09 0.100000E-04    0.948022E+00
   9   -0.717972E-06    0.630571E+03  0.113861E-08 0.100000E-04    0.944361E+00
  10   -0.442660E-08    0.600813E+03  0.736768E-11 0.109000E-04    0.144542E+00
  11    0.246798E-07    0.586391E+03 -0.420877E-10 0.100000E-04    0.840283E+00
  12   -0.102343E-05    0.578879E+03  0.176795E-08 0.100000E-04    0.941064E+00
  13    0.561542E-07    0.565063E+03 -0.993768E-10 0.100000E-04    0.941880E+00
  14    0.431008E-06    0.487467E+03 -0.884179E-09 0.100000E-04    0.932808E+00
  15   -0.420962E-06    0.460660E+03  0.913824E-09 0.100000E-04    0.937318E+00
  16   -0.967982E-07    0.459794E+03  0.210525E-09 0.100000E-04    0.785951E+00
  17   -0.534000E-06    0.441689E+03  0.120900E-08 0.100000E-04    0.903242E+00
  18   -0.413636E-06    0.429333E+03  0.963439E-09 0.100000E-04    0.931475E+00
  19   -0.178559E-06    0.421928E+03  0.423197E-09 0.100000E-04    0.736965E+00
  20   -0.372656E-06    0.408008E+03  0.913356E-09 0.100000E-04    0.920760E+00
  21   -0.412631E-06    0.396359E+03  0.104106E-08 0.100000E-04    0.917944E+00
  22   -0.664259E-06    0.387523E+03  0.171411E-08 0.100000E-04    0.987336E+00
  23    0.791589E-06    0.370012E+03 -0.213936E-08 0.100000E-04    0.921816E+00
  24   -0.446675E-06    0.360562E+03  0.123883E-08 0.100000E-04    0.974205E+00
  25   -0.107981E-06    0.349373E+03  0.309072E-09 0.100000E-04    0.451496E+00
  26   -0.137359E-06    0.335273E+03  0.409694E-09 0.100000E-04    0.312952E+00
  27    0.327317E-06    0.329270E+03 -0.994069E-09 0.100000E-04    0.880315E+00
  28   -0.350420E-06    0.321839E+03  0.108880E-08 0.100000E-04    0.890440E+00
  29    0.172761E-07    0.319101E+03 -0.541399E-10 0.100000E-04    0.323546E+00
  30   -0.134696E-05    0.309438E+03  0.435291E-08 0.100000E-04    0.957678E+00
  31   -0.101819E-05    0.300840E+03  0.338450E-08 0.100000E-04    0.953147E+00
  32   -0.123518E-05    0.290599E+03  0.425047E-08 0.100000E-04    0.966323E+00
  33    0.384093E-07    0.278938E+03 -0.137698E-09 0.100000E-04    0.228037E+01
  34   -0.115888E-06    0.272718E+03  0.424936E-09 0.100000E-04    0.263946E+00
  35    0.105344E-05    0.268529E+03 -0.392302E-08 0.100000E-04    0.966130E+00
  36    0.130181E-05    0.264941E+03 -0.491359E-08 0.100000E-04    0.979466E+00
  37   -0.449264E-06    0.263811E+03  0.170298E-08 0.100000E-04    0.891208E+00
  38   -0.161215E-06    0.253239E+03  0.636610E-09 0.100000E-04    0.988711E+00
  39   -0.377957E-06    0.241563E+03  0.156463E-08 0.100000E-04    0.877430E+00
  40   -0.133665E-05    0.240757E+03  0.555186E-08 0.100000E-04    0.983471E+00
  41   -0.106339E-05    0.233982E+03  0.454474E-08 0.100000E-04    0.995519E+00
  42   -0.170869E-05    0.227507E+03  0.751051E-08 0.100000E-04    0.960755E+00
  43   -0.369459E-07    0.217106E+03  0.170174E-09 0.100000E-04    0.898798E+00
  44   -0.202001E-05    0.214887E+03  0.940034E-08 0.100000E-04    0.965406E+00
  45    0.715673E-06    0.213272E+03 -0.335568E-08 0.100000E-04    0.986352E+00
  46    0.111715E-05    0.207657E+03 -0.537978E-08 0.100000E-04    0.981477E+00
  47   -0.773355E-06    0.203015E+03  0.380935E-08 0.100000E-04    0.963998E+00
  48   -0.112368E-05    0.195465E+03  0.574875E-08 0.100000E-04    0.923229E+00
  49    0.932799E-06    0.194827E+03 -0.478783E-08 0.100000E-04    0.948104E+00
  50    0.120709E-05    0.191344E+03 -0.630847E-08 0.100000E-04    0.875446E+00
  51    0.194819E-06    0.182931E+03 -0.106499E-08 0.100000E-04    0.854211E+00
  52    0.552842E-06    0.174329E+03 -0.317126E-08 0.100000E-04    0.923588E+00
  53    0.107217E-06    0.172328E+03 -0.622170E-09 0.100000E-04    0.680686E+00
  54   -0.244934E-06    0.168205E+03  0.145616E-08 0.100000E-04    0.943510E+00
  55    0.890296E-06    0.163235E+03 -0.545409E-08 0.100000E-04    0.998926E+00
  56    0.136849E-05    0.156883E+03 -0.872301E-08 0.100000E-04    0.969614E+00
  57   -0.325695E-06    0.154892E+03  0.210273E-08 0.100000E-04    0.827951E+00
  58    0.930460E-06    0.152262E+03 -0.611090E-08 0.100000E-04    0.997247E+00
  59    0.678146E-06    0.146689E+03 -0.462302E-08 0.100000E-04    0.992878E+00
  60   -0.157011E-06    0.143363E+03  0.109520E-08 0.100000E-04    0.727681E+00
  61   -0.804494E-06    0.138073E+03  0.582660E-08 0.100000E-04    0.811685E+00
  62   -0.945219E-06    0.135873E+03  0.695663E-08 0.100000E-04    0.967858E+00
  63   -0.188775E-05    0.130301E+03  0.144876E-07 0.100000E-04    0.911363E+00
  64   -0.361452E-07    0.128831E+03  0.280562E-09 0.100000E-04    0.523610E+00
  65   -0.122395E-05    0.126891E+03  0.964571E-08 0.100000E-04    0.880699E+00
  66    0.554497E-06    0.124117E+03 -0.446753E-08 0.100000E-04    0.876549E+00
  67    0.184555E-05    0.120004E+03 -0.153790E-07 0.100000E-04    0.956587E+00
  68    0.429440E-06    0.118162E+03 -0.363432E-08 0.100000E-04    0.925465E+00
  69    0.129518E-07    0.116854E+03 -0.110837E-09 0.109000E-04    0.179920E+00
  70    0.132824E-05    0.110354E+03 -0.120362E-07 0.100000E-04    0.940490E+00
  71   -0.649711E-06    0.106833E+03  0.608157E-08 0.100000E-04    0.916949E+00
  72    0.120151E-05    0.104444E+03 -0.115038E-07 0.100000E-04    0.867872E+00
  73   -0.137302E-06    0.102853E+03  0.133494E-08 0.100000E-04    0.739721E+00
  74   -0.105045E-06    0.995151E+02  0.105557E-08 0.100000E-04    0.244102E+00
  75    0.335724E-06    0.960983E+02 -0.349354E-08 0.100000E-04    0.325726E+00
  76    0.216108E-06    0.941120E+02 -0.229629E-08 0.100000E-04    0.857021E+00
  77    0.159626E-05    0.919845E+02 -0.173536E-07 0.100000E-04    0.961734E+00
  78   -0.866916E-06    0.912228E+02  0.950328E-08 0.100000E-04    0.965697E+00
  79    0.681882E-06    0.884391E+02 -0.771019E-08 0.100000E-04    0.982169E+00
  80    0.441378E-06    0.855971E+02 -0.515646E-08 0.100000E-04    0.909399E+00
  81   -0.130498E-05    0.808319E+02  0.161444E-07 0.100000E-04    0.988068E+00
  82    0.121589E-05    0.804753E+02 -0.151089E-07 0.100000E-04    0.930436E+00
  83    0.374711E-06    0.779652E+02 -0.480613E-08 0.100000E-04    0.846330E+00
  84   -0.203184E-06    0.732931E+02  0.277221E-08 0.100000E-04    0.477777E+00
  85   -0.189609E-05    0.725784E+02  0.261247E-07 0.100000E-04    0.885528E+00
  86    0.531007E-06    0.679289E+02 -0.781711E-08 0.100000E-04    0.839051E+00
  87   -0.706045E-06    0.647716E+02  0.109005E-07 0.100000E-04    0.773855E+00
  88    0.142045E-05    0.613678E+02 -0.231465E-07 0.100000E-04    0.980796E+00
  89   -0.207136E-05    0.598455E+02  0.346118E-07 0.100000E-04    0.940003E+00
  90   -0.212119E-05    0.593966E+02  0.357122E-07 0.100000E-04    0.974242E+00
  91   -0.275085E-05    0.581382E+02  0.473157E-07 0.100000E-04    0.911728E+00
  92   -0.338209E-05    0.558830E+02  0.605209E-07 0.100000E-04    0.943767E+00
  93   -0.324952E-05    0.524499E+02  0.619546E-07 0.100000E-04    0.978617E+00
  94   -0.791145E-06    0.520443E+02  0.152014E-07 0.100000E-04    0.859756E+00
  95    0.175035E-05    0.502186E+02 -0.348546E-07 0.100000E-04    0.875094E+00
  96    0.110953E-05    0.461743E+02 -0.240292E-07 0.100000E-04    0.907679E+00
  97    0.301216E-05    0.433191E+02 -0.695343E-07 0.100000E-04    0.878593E+00
  98   -0.415619E-06    0.409122E+02  0.101588E-07 0.100000E-04    0.621467E+00
  99    0.161903E-05    0.378697E+02 -0.427526E-07 0.100000E-04    0.788357E+00
 100    0.144470E-05    0.362210E+02 -0.398857E-07 0.100000E-04    0.882335E+00
 101   -0.102354E-04    0.322828E+02  0.317054E-06 0.100000E-04    0.933637E+00
 102    0.203071E-06    0.288892E+02 -0.702928E-08 0.100000E-04    0.123410E+01
 103    0.258244E-05    0.284504E+02 -0.907698E-07 0.100000E-04    0.957784E+00
 104   -0.231883E-05    0.262887E+02  0.882061E-07 0.100000E-04    0.853934E+00
 105    0.562547E-05    0.233366E+02 -0.241058E-06 0.100000E-04    0.921210E+00
 106    0.550265E-05    0.213182E+02 -0.258120E-06 0.100000E-04    0.957618E+00
 107    0.190784E-04    0.198576E+02 -0.960759E-06 0.100000E-04    0.912840E+00
 108    0.220435E-04    0.164596E+02 -0.133925E-05 0.100000E-04    0.925361E+00
 109    0.592255E-05    0.139065E+02 -0.425884E-06 0.100000E-04    0.951996E+00
 110   -0.832958E-05    0.122427E+02  0.680372E-06 0.292846E-04    0.838341E+00
 111    0.327154E-06    0.100930E+02 -0.324138E-07 0.100000E-04    0.307373E+00
 112    0.340320E-01    0.900546E+01 -0.100000E-04 0.100000E-04    0.596745E+00
 113    0.915662E-01    0.573995E+01 -0.220130E-04 0.220130E-04    0.145654E+00
 114    0.913210E+00    0.318043E+01  0.100000E-04 0.100000E-04    0.740028E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2201299100E-04    0.2667093752    

 Beginning of optimization cycle  569.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2997022951
 potential> RMS force:                                               0.0860193410   |gradient|=.9184352354    
 Eigenvalues of the Hessian matrix:
   746.52771    674.10536    630.57382    600.81052    586.39003    578.87885 
   565.05923    487.46692    460.65861    459.79326    441.68806    429.33434 
   421.92766    408.00611    396.35793    387.52199    370.01249    360.56177 
   349.37247    335.27350    329.27086    321.83920    319.10136    309.43686 
   300.83949    290.59880    278.93945    272.71862    268.52922    264.94135 
   263.81192    253.23882    241.56367    240.75755    233.98285    227.50723 
   217.10697    214.88675    213.27160    207.65756    203.01464    195.46375 
   194.82737    191.34464    182.93166    174.32979    172.32815    168.20525 
   163.23427    156.88259    154.89218    152.26209    146.68840    143.36260 
   138.07320    135.87313    130.30120    128.83171    126.89105    124.11617 
   120.00466    118.16249    116.85381    110.35380    106.83272    104.44454 
   102.85274     99.51504     96.09807     94.11174     91.98409     91.22300 
    88.43855     85.59745     80.83196     80.47598     77.96499     73.29291 
    72.57778     67.92857     64.77112     61.36735     59.84532     59.39671 
    58.13813     55.88277     52.44982     52.04387     50.21917     46.17390 
    43.31970     40.91229     37.86965     36.22069     32.28242     28.88956 
    28.45047     26.28901     23.33646     21.31842     19.85750     16.45947 
    13.90654     12.24269     10.09296      9.00702      5.74015      3.18014 
overlap for current and previous eigenvector    109 is         0.9999999884
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999758
overlap for current and previous eigenvector    112 is        -0.9999999354
overlap for current and previous eigenvector    113 is        -0.9999999255
overlap for current and previous eigenvector    114 is        -0.9999999646
J1,K1,R1,R2,RAT=   7   7    0.3041781948E-02     1.996947464        0.9969474639    
FOB,PFOB,DIAG,PSTEP=   -0.1786875639E-06   -0.1792327538E-06     746.5277095        0.2400898390E-09
J1,K1,R1,R2,RAT=   8   8   -0.4502297458E-01     2.045026930        0.9549770254    
FOB,PFOB,DIAG,PSTEP=   -0.4194051243E-06   -0.4013358272E-06     674.1053613        0.5953595041E-09
J1,K1,R1,R2,RAT=   9   9   -0.4763797356E-01     2.047628180        0.9523620264    
FOB,PFOB,DIAG,PSTEP=   -0.7521751898E-06   -0.7179722780E-06     630.5738227        0.1138607040E-08
J1,K1,R1,R2,RAT=  10  10    -5.040554854         7.040562707         4.040554854    
FOB,PFOB,DIAG,PSTEP=   -0.2673900552E-07   -0.4426595534E-08     600.8105176        0.7367677533E-11
J1,K1,R1,R2,RAT=  11  11   -0.1169314734         2.116933555        0.8830685266    
FOB,PFOB,DIAG,PSTEP=    0.2756567621E-07    0.2467983029E-07     586.3900274       -0.4208769497E-10
J1,K1,R1,R2,RAT= 109 109   -0.4361593454E-01     2.043607231        0.9563840655    
FOB,PFOB,DIAG,PSTEP=    0.6180869440E-05    0.5922550731E-05     13.90653875       -0.4258842988E-06
J1,K1,R1,R2,RAT= 110 110     2.159586203       -0.1595891567        0.8404108433    
FOB,PFOB,DIAG,PSTEP=    0.9658890471E-05   -0.8329578154E-05     12.24269446        0.6803723223E-06
J1,K1,R1,R2,RAT= 111 111    0.5054961514         1.494518719        0.4945038486    
FOB,PFOB,DIAG,PSTEP=    0.1617799592E-06    0.3271536310E-06     10.09295563       -0.3241381519E-07
J1,K1,R1,R2,RAT= 112 112     755.3053312        0.3722493364        0.6277506636    
FOB,PFOB,DIAG,PSTEP=   -0.3399848717E-01    0.3403201574E-01     9.007020088       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1450.117961       -0.8027762144        0.1972237856    
FOB,PFOB,DIAG,PSTEP=   -0.9166760372E-01    0.9156616665E-01     5.740148532       -0.2201299100E-04
J1,K1,R1,R2,RAT= 114 114    -57432.31449        0.2154900715        0.7845099285    
FOB,PFOB,DIAG,PSTEP=   -0.9132165315        0.9132096786         3.180136873        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03400     -0.09167     -0.91322 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3831737571
 Log product of positive Hessian eigenvalues =          519.0687930610
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1801368732
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000034
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000069
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000156
 Unscaled step for mode   64=       -0.0000000004
 Unscaled step for mode   65=        0.0000000107
 Unscaled step for mode   66=        0.0000000050
 Unscaled step for mode   67=       -0.0000000159
 Unscaled step for mode   68=        0.0000000039
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000127
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=        0.0000000104
 Unscaled step for mode   73=        0.0000000017
 Unscaled step for mode   74=        0.0000000007
 Unscaled step for mode   75=       -0.0000000023
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=       -0.0000000168
 Unscaled step for mode   78=       -0.0000000097
 Unscaled step for mode   79=       -0.0000000078
 Unscaled step for mode   80=       -0.0000000056
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=        0.0000000160
 Unscaled step for mode   83=        0.0000000043
 Unscaled step for mode   84=        0.0000000053
 Unscaled step for mode   85=        0.0000000290
 Unscaled step for mode   86=        0.0000000090
 Unscaled step for mode   87=        0.0000000135
 Unscaled step for mode   88=        0.0000000227
 Unscaled step for mode   89=        0.0000000365
 Unscaled step for mode   90=        0.0000000364
 Unscaled step for mode   91=       -0.0000000507
 Unscaled step for mode   92=       -0.0000000633
 Unscaled step for mode   93=        0.0000000628
 Unscaled step for mode   94=       -0.0000000135
 Unscaled step for mode   95=        0.0000000391
 Unscaled step for mode   96=       -0.0000000258
 Unscaled step for mode   97=        0.0000000774
 Unscaled step for mode   98=        0.0000000155
 Unscaled step for mode   99=       -0.0000000523
 Unscaled step for mode  100=        0.0000000443
 Unscaled step for mode  101=       -0.0000003343
 Unscaled step for mode  102=       -0.0000000003
 Unscaled step for mode  103=        0.0000000941
 Unscaled step for mode  104=       -0.0000000798
 Unscaled step for mode  105=        0.0000002574
 Unscaled step for mode  106=        0.0000002669
 Unscaled step for mode  107=        0.0000010334
 Unscaled step for mode  108=        0.0000014246
 Unscaled step for mode  109=       -0.0000004445
 Unscaled step for mode  110=       -0.0000007890
 Unscaled step for mode  111=       -0.0000000160
 Unscaled step for mode  112=        0.0037746116
 Unscaled step for mode  113=        0.0159654820
 Unscaled step for mode  114=       -0.2667321626
 Largest modulus ratio of non-zero e/values=           234.7470374    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.170599E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.160082E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.286897E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.698226E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.973600E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.441732E-14    0.974290E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.178688E-06    0.746528E+03  0.239358E-09 0.100000E-04    0.996947E+00
   8   -0.419405E-06    0.674105E+03  0.622166E-09 0.100000E-04    0.954977E+00
   9   -0.752175E-06    0.630574E+03  0.119284E-08 0.100000E-04    0.952362E+00
  10   -0.267390E-07    0.600811E+03  0.445049E-10 0.100000E-04    0.404055E+01
  11    0.275657E-07    0.586390E+03 -0.470091E-10 0.100000E-04    0.883069E+00
  12   -0.107630E-05    0.578879E+03  0.185928E-08 0.100000E-04    0.948337E+00
  13    0.533722E-07    0.565059E+03 -0.944542E-10 0.100000E-04    0.950458E+00
  14    0.457371E-06    0.487467E+03 -0.938261E-09 0.100000E-04    0.938834E+00
  15   -0.443777E-06    0.460659E+03  0.963353E-09 0.100000E-04    0.945804E+00
  16   -0.118572E-06    0.459793E+03  0.257881E-09 0.100000E-04    0.775061E+00
  17   -0.581959E-06    0.441688E+03  0.131758E-08 0.100000E-04    0.910188E+00
  18   -0.438050E-06    0.429334E+03  0.102030E-08 0.100000E-04    0.940977E+00
  19   -0.147376E-06    0.421928E+03  0.349291E-09 0.100000E-04    0.825361E+00
  20   -0.398927E-06    0.408006E+03  0.977748E-09 0.100000E-04    0.929503E+00
  21   -0.443012E-06    0.396358E+03  0.111771E-08 0.100000E-04    0.926373E+00
  22   -0.669687E-06    0.387522E+03  0.172813E-08 0.100000E-04    0.991829E+00
  23    0.847104E-06    0.370012E+03 -0.228939E-08 0.100000E-04    0.929869E+00
  24   -0.456031E-06    0.360562E+03  0.126478E-08 0.100000E-04    0.979055E+00
  25   -0.753872E-07    0.349372E+03  0.215779E-09 0.100000E-04    0.698149E+00
  26   -0.924175E-07    0.335273E+03  0.275648E-09 0.100000E-04    0.672812E+00
  27    0.362967E-06    0.329271E+03 -0.110234E-08 0.100000E-04    0.891085E+00
  28   -0.384652E-06    0.321839E+03  0.119517E-08 0.100000E-04    0.902312E+00
  29   -0.376372E-07    0.319101E+03  0.117948E-09 0.109000E-04    0.178572E+00
  30   -0.139023E-05    0.309437E+03  0.449277E-08 0.100000E-04    0.967873E+00
  31   -0.105840E-05    0.300839E+03  0.351817E-08 0.100000E-04    0.960508E+00
  32   -0.126803E-05    0.290599E+03  0.436350E-08 0.100000E-04    0.973407E+00
  33   -0.170701E-09    0.278939E+03  0.611966E-12 0.109000E-04    0.443887E-02
  34   -0.766910E-07    0.272719E+03  0.281209E-09 0.100000E-04    0.661767E+00
  35    0.108069E-05    0.268529E+03 -0.402448E-08 0.100000E-04    0.974136E+00
  36    0.132235E-05    0.264941E+03 -0.499109E-08 0.100000E-04    0.984226E+00
  37   -0.495020E-06    0.263812E+03  0.187641E-08 0.100000E-04    0.898154E+00
  38   -0.159399E-06    0.253239E+03  0.629441E-09 0.100000E-04    0.988738E+00
  39   -0.346237E-06    0.241564E+03  0.143332E-08 0.100000E-04    0.916074E+00
  40   -0.135313E-05    0.240758E+03  0.562029E-08 0.100000E-04    0.987672E+00
  41   -0.105964E-05    0.233983E+03  0.452869E-08 0.100000E-04    0.996464E+00
  42   -0.176028E-05    0.227507E+03  0.773724E-08 0.100000E-04    0.969810E+00
  43   -0.388436E-07    0.217107E+03  0.178915E-09 0.100000E-04    0.948635E+00
  44   -0.207721E-05    0.214887E+03  0.966655E-08 0.100000E-04    0.971680E+00
  45    0.705636E-06    0.213272E+03 -0.330863E-08 0.100000E-04    0.985976E+00
  46    0.113552E-05    0.207658E+03 -0.546825E-08 0.100000E-04    0.983553E+00
  47   -0.797248E-06    0.203015E+03  0.392705E-08 0.100000E-04    0.969105E+00
  48   -0.119692E-05    0.195464E+03  0.612351E-08 0.100000E-04    0.934813E+00
  49    0.975525E-06    0.194827E+03 -0.500713E-08 0.100000E-04    0.954196E+00
  50    0.134659E-05    0.191345E+03 -0.703753E-08 0.100000E-04    0.884427E+00
  51    0.221572E-06    0.182932E+03 -0.121123E-08 0.100000E-04    0.862675E+00
  52    0.588753E-06    0.174330E+03 -0.337724E-08 0.100000E-04    0.935044E+00
  53    0.866215E-07    0.172328E+03 -0.502654E-09 0.100000E-04    0.807904E+00
  54   -0.233223E-06    0.168205E+03  0.138654E-08 0.100000E-04    0.952185E+00
  55    0.886644E-06    0.163234E+03 -0.543172E-08 0.100000E-04    0.995898E+00
  56    0.140313E-05    0.156883E+03 -0.894381E-08 0.100000E-04    0.974690E+00
  57   -0.383600E-06    0.154892E+03  0.247656E-08 0.100000E-04    0.822210E+00
  58    0.929432E-06    0.152262E+03 -0.610416E-08 0.100000E-04    0.998895E+00
  59    0.679869E-06    0.146688E+03 -0.463478E-08 0.100000E-04    0.997460E+00
  60   -0.207251E-06    0.143363E+03  0.144564E-08 0.100000E-04    0.680022E+00
  61   -0.958701E-06    0.138073E+03  0.694342E-08 0.100000E-04    0.808320E+00
  62   -0.968830E-06    0.135873E+03  0.713040E-08 0.100000E-04    0.975021E+00
  63   -0.203569E-05    0.130301E+03  0.156230E-07 0.100000E-04    0.921631E+00
  64    0.491818E-07    0.128832E+03 -0.381752E-09 0.100000E-04    0.639328E+00
  65   -0.136216E-05    0.126891E+03  0.107348E-07 0.100000E-04    0.887084E+00
  66   -0.621023E-06    0.124116E+03  0.500356E-08 0.100000E-04    0.880024E+00
  67    0.191198E-05    0.120005E+03 -0.159325E-07 0.100000E-04    0.964005E+00
  68   -0.457717E-06    0.118162E+03  0.387362E-08 0.100000E-04    0.934154E+00
  69    0.655359E-07    0.116854E+03 -0.560837E-09 0.100000E-04    0.306002E+01
  70    0.139620E-05    0.110354E+03 -0.126521E-07 0.100000E-04    0.948829E+00
  71   -0.698452E-06    0.106833E+03  0.653781E-08 0.100000E-04    0.924981E+00
  72   -0.108548E-05    0.104445E+03  0.103929E-07 0.100000E-04    0.903427E+00
  73   -0.176931E-06    0.102853E+03  0.172024E-08 0.100000E-04    0.711377E+00
  74   -0.654734E-07    0.995150E+02  0.657924E-09 0.100000E-04    0.623287E+00
  75    0.220685E-06    0.960981E+02 -0.229646E-08 0.100000E-04    0.657342E+00
  76    0.244389E-06    0.941117E+02 -0.259680E-08 0.100000E-04    0.869136E+00
  77    0.154435E-05    0.919841E+02 -0.167893E-07 0.100000E-04    0.967480E+00
  78    0.888500E-06    0.912230E+02 -0.973987E-08 0.100000E-04    0.975102E+00
  79    0.689319E-06    0.884386E+02 -0.779433E-08 0.100000E-04    0.989093E+00
  80    0.479094E-06    0.855974E+02 -0.559705E-08 0.100000E-04    0.914551E+00
  81   -0.131430E-05    0.808320E+02  0.162597E-07 0.100000E-04    0.992854E+00
  82   -0.128963E-05    0.804760E+02  0.160250E-07 0.100000E-04    0.939358E+00
  83   -0.332380E-06    0.779650E+02  0.426320E-08 0.100000E-04    0.887032E+00
  84   -0.386642E-06    0.732929E+02  0.527530E-08 0.109000E-04    0.970794E-01
  85   -0.210334E-05    0.725778E+02  0.289805E-07 0.100000E-04    0.890696E+00
  86   -0.613192E-06    0.679286E+02  0.902701E-08 0.100000E-04    0.845229E+00
  87   -0.871659E-06    0.647711E+02  0.134575E-07 0.100000E-04    0.765432E+00
  88   -0.139082E-05    0.613674E+02  0.226639E-07 0.100000E-04    0.979142E+00
  89   -0.218189E-05    0.598453E+02  0.364588E-07 0.100000E-04    0.946640E+00
  90   -0.216305E-05    0.593967E+02  0.364169E-07 0.100000E-04    0.980266E+00
  91    0.294856E-05    0.581381E+02 -0.507165E-07 0.100000E-04    0.928125E+00
  92    0.353798E-05    0.558828E+02 -0.633108E-07 0.100000E-04    0.953905E+00
  93   -0.329596E-05    0.524498E+02  0.628402E-07 0.100000E-04    0.985709E+00
  94    0.703941E-06    0.520439E+02 -0.135259E-07 0.100000E-04    0.889774E+00
  95   -0.196442E-05    0.502192E+02  0.391170E-07 0.100000E-04    0.877698E+00
  96    0.119014E-05    0.461739E+02 -0.257752E-07 0.100000E-04    0.927348E+00
  97   -0.335159E-05    0.433197E+02  0.773687E-07 0.100000E-04    0.887317E+00
  98   -0.634642E-06    0.409123E+02  0.155123E-07 0.100000E-04    0.473021E+00
  99    0.198241E-05    0.378697E+02 -0.523483E-07 0.100000E-04    0.775553E+00
 100   -0.160280E-05    0.362207E+02  0.442508E-07 0.100000E-04    0.890568E+00
 101    0.107909E-04    0.322824E+02 -0.334267E-06 0.100000E-04    0.945722E+00
 102    0.886875E-08    0.288896E+02 -0.306988E-09 0.109000E-04    0.436612E-01
 103   -0.267704E-05    0.284505E+02  0.940946E-07 0.100000E-04    0.963369E+00
 104    0.209725E-05    0.262890E+02 -0.797766E-07 0.100000E-04    0.904424E+00
 105   -0.600574E-05    0.233365E+02  0.257354E-06 0.100000E-04    0.932401E+00
 106   -0.568995E-05    0.213184E+02  0.266903E-06 0.100000E-04    0.965962E+00
 107   -0.205206E-04    0.198575E+02  0.103339E-05 0.100000E-04    0.924405E+00
 108   -0.234489E-04    0.164595E+02  0.142465E-05 0.100000E-04    0.936243E+00
 109    0.618087E-05    0.139065E+02 -0.444458E-06 0.100000E-04    0.956384E+00
 110    0.965889E-05    0.122427E+02 -0.788951E-06 0.263825E-04    0.840411E+00
 111    0.161780E-06    0.100930E+02 -0.160290E-07 0.100000E-04    0.494504E+00
 112   -0.339985E-01    0.900702E+01  0.100000E-04 0.100000E-04    0.627751E+00
 113   -0.916676E-01    0.574015E+01  0.239942E-04 0.239942E-04    0.197224E+00
 114   -0.913217E+00    0.318014E+01 -0.100000E-04 0.100000E-04    0.784510E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2399416019E-04    0.2667321626    

 Beginning of optimization cycle  570.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996957002
 potential> RMS force:                                               0.0860207030   |gradient|=.9184497768    
 Eigenvalues of the Hessian matrix:
   746.53189    674.10387    630.57705    600.80814    586.38935    578.87919 
   565.05490    487.46648    460.65720    459.79266    441.68736    429.33582 
   421.92702    408.00433    396.35732    387.52047    370.01298    360.56198 
   349.37174    335.27421    329.27181    321.83891    319.10215    309.43564 
   300.83892    290.59887    278.94106    272.71911    268.52950    264.94172 
   263.81267    253.23821    241.56399    240.75806    233.98373    227.50762 
   217.10776    214.88689    213.27129    207.65809    203.01418    195.46288 
   194.82780    191.34515    182.93247    174.33059    172.32840    168.20556 
   163.23390    156.88235    154.89274    152.26189    146.68773    143.36215 
   138.07377    135.87314    130.30090    128.83195    126.89125    124.11494 
   120.00484    118.16262    116.85333    110.35406    106.83252    104.44478 
   102.85280     99.51496     96.09784     94.11149     91.98367     91.22325 
    88.43800     85.59778     80.83204     80.47673     77.96475     73.29266 
    72.57714     67.92823     64.77061     61.36685     59.84508     59.39680 
    58.13805     55.88251     52.44969     52.04345     50.21980     46.17344 
    43.32031     40.91240     37.86958     36.22027     32.28202     28.88991 
    28.45054     26.28931     23.33637     21.31864     19.85741     16.45935 
    13.90660     12.24271     10.09288      9.00867      5.74037      3.17984 
overlap for current and previous eigenvector    109 is         0.9999999869
overlap for current and previous eigenvector    110 is         0.9999999982
overlap for current and previous eigenvector    111 is         0.9999999716
overlap for current and previous eigenvector    112 is         0.9999999271
overlap for current and previous eigenvector    113 is         0.9999999162
overlap for current and previous eigenvector    114 is         0.9999999592
J1,K1,R1,R2,RAT=   7   7    0.3558986975E-01     1.964398933        0.9643989325    
FOB,PFOB,DIAG,PSTEP=   -0.1723280612E-06   -0.1786875639E-06     746.5318892        0.2393582471E-09
J1,K1,R1,R2,RAT=   8   8   -0.4670947528E-01     2.046713895        0.9532905247    
FOB,PFOB,DIAG,PSTEP=   -0.4389952742E-06   -0.4194051243E-06     674.1038716        0.6221655372E-09
J1,K1,R1,R2,RAT=   9   9   -0.5252140912E-01     2.052511158        0.9474785909    
FOB,PFOB,DIAG,PSTEP=   -0.7916806932E-06   -0.7521751898E-06     630.5770547        0.1192842396E-08
J1,K1,R1,R2,RAT=  10  10   -0.8228731339         2.822881052        0.1771268661    
FOB,PFOB,DIAG,PSTEP=   -0.4874172769E-07   -0.2673900552E-07     600.8081391        0.4450488921E-10
J1,K1,R1,R2,RAT=  11  11   -0.2378662086         2.237868524        0.7621337914    
FOB,PFOB,DIAG,PSTEP=    0.3412261150E-07    0.2756567621E-07     586.3893484       -0.4700911496E-10
J1,K1,R1,R2,RAT= 109 109   -0.2307224288E-01     2.023063612        0.9769277571    
FOB,PFOB,DIAG,PSTEP=    0.6323476576E-05    0.6180869440E-05     13.90659877       -0.4444577871E-06
J1,K1,R1,R2,RAT= 110 110   -0.1503662516         2.150363921        0.8496337484    
FOB,PFOB,DIAG,PSTEP=    0.1111126332E-04    0.9658890471E-05     12.24270872       -0.7889513625E-06
J1,K1,R1,R2,RAT= 111 111    -1.019555256         3.019570493        0.1955525596E-01
FOB,PFOB,DIAG,PSTEP=    0.3267223104E-06    0.1617799592E-06     10.09287874       -0.1602899737E-07
J1,K1,R1,R2,RAT= 112 112    0.3393028604         754.4559223        0.6606971396    
FOB,PFOB,DIAG,PSTEP=   -0.3396792051E-01   -0.3399848717E-01     9.008665141        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7789404323         1331.847888        0.2210595677    
FOB,PFOB,DIAG,PSTEP=   -0.9177489132E-01   -0.9166760372E-01     5.740368446        0.2399416019E-04
J1,K1,R1,R2,RAT= 114 114    0.1568082761        -57438.08811        0.8431917239    
FOB,PFOB,DIAG,PSTEP=   -0.9132215178       -0.9132165315         3.179837821       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00003 
     0.00001      0.00001      0.00000     -0.03397     -0.09177     -0.91322 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3831541559
 Log product of positive Hessian eigenvalues =          519.0688825967
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1798378208
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000007
 Unscaled step for mode    9=        0.0000000013
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000020
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000018
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000042
 Unscaled step for mode   36=       -0.0000000051
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000013
 Unscaled step for mode   40=        0.0000000057
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000081
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000100
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000078
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=       -0.0000000037
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000092
 Unscaled step for mode   57=        0.0000000028
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000018
 Unscaled step for mode   61=        0.0000000081
 Unscaled step for mode   62=        0.0000000074
 Unscaled step for mode   63=        0.0000000171
 Unscaled step for mode   64=       -0.0000000013
 Unscaled step for mode   65=        0.0000000118
 Unscaled step for mode   66=        0.0000000055
 Unscaled step for mode   67=       -0.0000000166
 Unscaled step for mode   68=        0.0000000041
 Unscaled step for mode   69=       -0.0000000008
 Unscaled step for mode   70=       -0.0000000133
 Unscaled step for mode   71=        0.0000000071
 Unscaled step for mode   72=        0.0000000091
 Unscaled step for mode   73=        0.0000000021
 Unscaled step for mode   74=        0.0000000003
 Unscaled step for mode   75=       -0.0000000011
 Unscaled step for mode   76=       -0.0000000029
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=        0.0000000101
 Unscaled step for mode   79=       -0.0000000081
 Unscaled step for mode   80=       -0.0000000061
 Unscaled step for mode   81=        0.0000000166
 Unscaled step for mode   82=        0.0000000170
 Unscaled step for mode   83=        0.0000000036
 Unscaled step for mode   84=        0.0000000080
 Unscaled step for mode   85=        0.0000000317
 Unscaled step for mode   86=        0.0000000104
 Unscaled step for mode   87=        0.0000000166
 Unscaled step for mode   88=        0.0000000222
 Unscaled step for mode   89=        0.0000000381
 Unscaled step for mode   90=        0.0000000379
 Unscaled step for mode   91=       -0.0000000562
 Unscaled step for mode   92=       -0.0000000676
 Unscaled step for mode   93=        0.0000000651
 Unscaled step for mode   94=       -0.0000000122
 Unscaled step for mode   95=        0.0000000430
 Unscaled step for mode   96=       -0.0000000289
 Unscaled step for mode   97=        0.0000000860
 Unscaled step for mode   98=        0.0000000201
 Unscaled step for mode   99=       -0.0000000621
 Unscaled step for mode  100=        0.0000000491
 Unscaled step for mode  101=       -0.0000003607
 Unscaled step for mode  102=       -0.0000000105
 Unscaled step for mode  103=        0.0000000970
 Unscaled step for mode  104=       -0.0000000620
 Unscaled step for mode  105=        0.0000002801
 Unscaled step for mode  106=        0.0000002769
 Unscaled step for mode  107=        0.0000011325
 Unscaled step for mode  108=        0.0000015400
 Unscaled step for mode  109=       -0.0000004547
 Unscaled step for mode  110=       -0.0000009076
 Unscaled step for mode  111=       -0.0000000324
 Unscaled step for mode  112=        0.0037705295
 Unscaled step for mode  113=        0.0159835464
 Unscaled step for mode  114=       -0.2667551781
 Largest modulus ratio of non-zero e/values=           234.7704289    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.574627E-17    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.141087E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.128424E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.377519E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.146414E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.258622E-14    0.974290E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172328E-06    0.746532E+03  0.230838E-09 0.100000E-04    0.964399E+00
   8   -0.438995E-06    0.674104E+03  0.651228E-09 0.100000E-04    0.953291E+00
   9   -0.791681E-06    0.630577E+03  0.125549E-08 0.100000E-04    0.947479E+00
  10   -0.487417E-07    0.600808E+03  0.811269E-10 0.109000E-04    0.177127E+00
  11    0.341226E-07    0.586389E+03 -0.581910E-10 0.100000E-04    0.762134E+00
  12   -0.113075E-05    0.578879E+03  0.195334E-08 0.100000E-04    0.949411E+00
  13    0.510693E-07    0.565055E+03 -0.903793E-10 0.100000E-04    0.956851E+00
  14    0.479141E-06    0.487466E+03 -0.982920E-09 0.100000E-04    0.952403E+00
  15   -0.471188E-06    0.460657E+03  0.102286E-08 0.100000E-04    0.938233E+00
  16   -0.144322E-06    0.459793E+03  0.313885E-09 0.100000E-04    0.782832E+00
  17   -0.633475E-06    0.441687E+03  0.143421E-08 0.100000E-04    0.911479E+00
  18   -0.467155E-06    0.429336E+03  0.108809E-08 0.100000E-04    0.933559E+00
  19   -0.115969E-06    0.421927E+03  0.274854E-09 0.100000E-04    0.786890E+00
  20   -0.426401E-06    0.408004E+03  0.104509E-08 0.100000E-04    0.931130E+00
  21   -0.476212E-06    0.396357E+03  0.120147E-08 0.100000E-04    0.925059E+00
  22   -0.681244E-06    0.387520E+03  0.175796E-08 0.100000E-04    0.982742E+00
  23    0.904475E-06    0.370013E+03 -0.244444E-08 0.100000E-04    0.932274E+00
  24   -0.466629E-06    0.360562E+03  0.129417E-08 0.100000E-04    0.976760E+00
  25   -0.450147E-07    0.349372E+03  0.128845E-09 0.100000E-04    0.597113E+00
  26   -0.326577E-07    0.335274E+03  0.974060E-10 0.100000E-04    0.353369E+00
  27    0.409263E-06    0.329272E+03 -0.124293E-08 0.100000E-04    0.872450E+00
  28   -0.432020E-06    0.321839E+03  0.134235E-08 0.100000E-04    0.876853E+00
  29   -0.123290E-06    0.319102E+03  0.386366E-09 0.100000E-04    0.127575E+01
  30   -0.146700E-05    0.309436E+03  0.474089E-08 0.100000E-04    0.944778E+00
  31   -0.110784E-05    0.300839E+03  0.368252E-08 0.100000E-04    0.953288E+00
  32   -0.131718E-05    0.290599E+03  0.453265E-08 0.100000E-04    0.961235E+00
  33   -0.490914E-07    0.278941E+03  0.175992E-09 0.100000E-04    0.285585E+03
  34   -0.218464E-07    0.272719E+03  0.801060E-10 0.100000E-04    0.284861E+00
  35    0.112345E-05    0.268530E+03 -0.418370E-08 0.100000E-04    0.960436E+00
  36    0.134612E-05    0.264942E+03 -0.508080E-08 0.100000E-04    0.982024E+00
  37   -0.544574E-06    0.263813E+03  0.206424E-08 0.100000E-04    0.899895E+00
  38   -0.157332E-06    0.253238E+03  0.621279E-09 0.100000E-04    0.987031E+00
  39   -0.305780E-06    0.241564E+03  0.126583E-08 0.100000E-04    0.883148E+00
  40   -0.136935E-05    0.240758E+03  0.568768E-08 0.100000E-04    0.988008E+00
  41   -0.104688E-05    0.233984E+03  0.447416E-08 0.100000E-04    0.987956E+00
  42   -0.184395E-05    0.227508E+03  0.810502E-08 0.100000E-04    0.952465E+00
  43   -0.464100E-07    0.217108E+03  0.213765E-09 0.100000E-04    0.805211E+00
  44   -0.214121E-05    0.214887E+03  0.996434E-08 0.100000E-04    0.969193E+00
  45    0.708570E-06    0.213271E+03 -0.332239E-08 0.100000E-04    0.995842E+00
  46    0.114354E-05    0.207658E+03 -0.550683E-08 0.100000E-04    0.992942E+00
  47   -0.817044E-06    0.203014E+03  0.402456E-08 0.100000E-04    0.975170E+00
  48   -0.130391E-05    0.195463E+03  0.667090E-08 0.100000E-04    0.910613E+00
  49    0.101691E-05    0.194828E+03 -0.521954E-08 0.100000E-04    0.957575E+00
  50    0.150203E-05    0.191345E+03 -0.784986E-08 0.100000E-04    0.884569E+00
  51    0.254803E-06    0.182932E+03 -0.139288E-08 0.100000E-04    0.850024E+00
  52    0.642015E-06    0.174331E+03 -0.368274E-08 0.100000E-04    0.909535E+00
  53    0.634687E-07    0.172328E+03 -0.368301E-09 0.100000E-04    0.732710E+00
  54   -0.222284E-06    0.168206E+03  0.132150E-08 0.100000E-04    0.953094E+00
  55    0.897984E-06    0.163234E+03 -0.550121E-08 0.100000E-04    0.987210E+00
  56    0.144281E-05    0.156882E+03 -0.919675E-08 0.100000E-04    0.971720E+00
  57   -0.435138E-06    0.154893E+03  0.280929E-08 0.100000E-04    0.865647E+00
  58    0.941600E-06    0.152262E+03 -0.618408E-08 0.100000E-04    0.986907E+00
  59    0.688807E-06    0.146688E+03 -0.469574E-08 0.100000E-04    0.986853E+00
  60   -0.254093E-06    0.143362E+03  0.177239E-08 0.100000E-04    0.773979E+00
  61   -0.112253E-05    0.138074E+03  0.812995E-08 0.100000E-04    0.829111E+00
  62   -0.100868E-05    0.135873E+03  0.742367E-08 0.100000E-04    0.958871E+00
  63   -0.222458E-05    0.130301E+03  0.170726E-07 0.100000E-04    0.907213E+00
  64    0.162454E-06    0.128832E+03 -0.126097E-08 0.100000E-04    0.130312E+01
  65   -0.149984E-05    0.126891E+03  0.118199E-07 0.100000E-04    0.898920E+00
  66   -0.688512E-06    0.124115E+03  0.554737E-08 0.100000E-04    0.891325E+00
  67    0.199508E-05    0.120005E+03 -0.166250E-07 0.100000E-04    0.956535E+00
  68   -0.488873E-06    0.118163E+03  0.413729E-08 0.100000E-04    0.931931E+00
  69    0.992649E-07    0.116853E+03 -0.849483E-09 0.100000E-04    0.485334E+00
  70    0.147247E-05    0.110354E+03 -0.133432E-07 0.100000E-04    0.945375E+00
  71   -0.753432E-06    0.106833E+03  0.705246E-08 0.100000E-04    0.921283E+00
  72   -0.950741E-06    0.104445E+03  0.910281E-08 0.100000E-04    0.875869E+00
  73   -0.217768E-06    0.102853E+03  0.211728E-08 0.100000E-04    0.769191E+00
  74   -0.313221E-07    0.995150E+02  0.314748E-09 0.100000E-04    0.478395E+00
  75    0.102686E-06    0.960978E+02 -0.106856E-08 0.100000E-04    0.465304E+00
  76    0.274778E-06    0.941115E+02 -0.291970E-08 0.100000E-04    0.875656E+00
  77    0.149908E-05    0.919837E+02 -0.162973E-07 0.100000E-04    0.970689E+00
  78   -0.924335E-06    0.912232E+02  0.101327E-07 0.100000E-04    0.959669E+00
  79    0.719696E-06    0.884380E+02 -0.813786E-08 0.100000E-04    0.955933E+00
  80    0.521635E-06    0.855978E+02 -0.609403E-08 0.100000E-04    0.911204E+00
  81   -0.133963E-05    0.808320E+02  0.165730E-07 0.100000E-04    0.980731E+00
  82   -0.137097E-05    0.804767E+02  0.170357E-07 0.100000E-04    0.936924E+00
  83   -0.281069E-06    0.779647E+02  0.360507E-08 0.100000E-04    0.845623E+00
  84   -0.586395E-06    0.732927E+02  0.800074E-08 0.100000E-04    0.483361E+00
  85   -0.230388E-05    0.725771E+02  0.317439E-07 0.100000E-04    0.904654E+00
  86   -0.709478E-06    0.679282E+02  0.104445E-07 0.100000E-04    0.842974E+00
  87   -0.107537E-05    0.647706E+02  0.166028E-07 0.100000E-04    0.766289E+00
  88   -0.136064E-05    0.613668E+02  0.221723E-07 0.100000E-04    0.978301E+00
  89   -0.227899E-05    0.598451E+02  0.380815E-07 0.100000E-04    0.955497E+00
  90   -0.225219E-05    0.593968E+02  0.379176E-07 0.100000E-04    0.958789E+00
  91    0.326560E-05    0.581381E+02 -0.561698E-07 0.100000E-04    0.892477E+00
  92    0.377974E-05    0.558825E+02 -0.676373E-07 0.100000E-04    0.931668E+00
  93   -0.341273E-05    0.524497E+02  0.650667E-07 0.100000E-04    0.964571E+00
  94    0.637274E-06    0.520434E+02 -0.122450E-07 0.100000E-04    0.905294E+00
  95   -0.216080E-05    0.502198E+02  0.430268E-07 0.100000E-04    0.900037E+00
  96    0.133632E-05    0.461734E+02 -0.289413E-07 0.100000E-04    0.877175E+00
  97   -0.372460E-05    0.433203E+02  0.859781E-07 0.100000E-04    0.888708E+00
  98   -0.823704E-06    0.409124E+02  0.201334E-07 0.100000E-04    0.702097E+00
  99    0.235177E-05    0.378696E+02 -0.621019E-07 0.100000E-04    0.813681E+00
 100   -0.177843E-05    0.362203E+02  0.491005E-07 0.100000E-04    0.890416E+00
 101    0.116451E-04    0.322820E+02 -0.360730E-06 0.100000E-04    0.920844E+00
 102    0.302517E-06    0.288899E+02 -0.104714E-07 0.100000E-04    0.321101E+02
 103   -0.275942E-05    0.284505E+02  0.969900E-07 0.100000E-04    0.969226E+00
 104    0.162975E-05    0.262893E+02 -0.619930E-07 0.100000E-04    0.777071E+00
 105   -0.653768E-05    0.233364E+02  0.280150E-06 0.100000E-04    0.911429E+00
 106   -0.590348E-05    0.213186E+02  0.276916E-06 0.100000E-04    0.962473E+00
 107   -0.224887E-04    0.198574E+02  0.113251E-05 0.100000E-04    0.904092E+00
 108   -0.253477E-04    0.164594E+02  0.154002E-05 0.100000E-04    0.919023E+00
 109    0.632348E-05    0.139066E+02 -0.454711E-06 0.100000E-04    0.976928E+00
 110    0.111113E-04    0.122427E+02 -0.907582E-06 0.237681E-04    0.849634E+00
 111    0.326722E-06    0.100929E+02 -0.323716E-07 0.109000E-04    0.195553E-01
 112   -0.339679E-01    0.900867E+01  0.100000E-04 0.100000E-04    0.660697E+00
 113   -0.917749E-01    0.574037E+01  0.216164E-04 0.216164E-04    0.221060E+00
 114   -0.913222E+00    0.317984E+01 -0.100000E-04 0.100000E-04    0.843192E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2161636053E-04    0.2667551781    

 Beginning of optimization cycle  571.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996888896
 potential> RMS force:                                               0.0860221910   |gradient|=.9184656644    
 Eigenvalues of the Hessian matrix:
   746.53594    674.10263    630.58014    600.80575    586.38875    578.87952 
   565.05088    487.46615    460.65584    459.79209    441.68672    429.33710 
   421.92642    408.00267    396.35676    387.51900    370.01345    360.56214 
   349.37096    335.27486    329.27270    321.83870    319.10278    309.43446 
   300.83829    290.59892    278.94253    272.71956    268.52970    264.94206 
   263.81330    253.23757    241.56421    240.75854    233.98451    227.50794 
   217.10844    214.88704    213.27098    207.65859    203.01375    195.46205 
   194.82817    191.34563    182.93321    174.33133    172.32863    168.20584 
   163.23357    156.88212    154.89326    152.26171    146.68711    143.36175 
   138.07430    135.87314    130.30064    128.83217    126.89146    124.11381 
   120.00503    118.16277    116.85291    110.35430    106.83235    104.44503 
   102.85288     99.51489     96.09763     94.11127     91.98324     91.22347 
    88.43748     85.59809     80.83211     80.47743     77.96453     73.29246 
    72.57656     67.92794     64.77013     61.36634     59.84486     59.39691 
    58.13801     55.88229     52.44959     52.04307     50.22040     46.17301 
    43.32088     40.91251     37.86954     36.21994     32.28163     28.89024 
    28.45060     26.28958     23.33627     21.31888     19.85730     16.45926 
    13.90666     12.24272     10.09280      9.01020      5.74056      3.17955 
overlap for current and previous eigenvector    109 is         0.9999999888
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999764
overlap for current and previous eigenvector    112 is         0.9999999373
overlap for current and previous eigenvector    113 is         0.9999999266
overlap for current and previous eigenvector    114 is         0.9999999647
J1,K1,R1,R2,RAT=   7   7   -0.9185829767E-02     2.009174985        0.9908141702    
FOB,PFOB,DIAG,PSTEP=   -0.1739110460E-06   -0.1723280612E-06     746.5359374        0.2308381781E-09
J1,K1,R1,R2,RAT=   8   8    0.5342144305E-01     1.946582253        0.9465785570    
FOB,PFOB,DIAG,PSTEP=   -0.4155435565E-06   -0.4389952742E-06     674.1026258        0.6512279379E-09
J1,K1,R1,R2,RAT=   9   9    0.5768046709E-01     1.942309735        0.9423097353    
FOB,PFOB,DIAG,PSTEP=   -0.7460159573E-06   -0.7916806932E-06     630.5801438        0.1255486046E-08
J1,K1,R1,R2,RAT=  10  10    0.5775653994         1.422442547        0.4224346006    
FOB,PFOB,DIAG,PSTEP=   -0.2059030412E-07   -0.4874172769E-07     600.8057519        0.8112694306E-10
J1,K1,R1,R2,RAT=  11  11    0.1464058078         1.853596216        0.8535941922    
FOB,PFOB,DIAG,PSTEP=    0.2912686806E-07    0.3412261150E-07     586.3887550       -0.5819104934E-10
J1,K1,R1,R2,RAT= 109 109    0.5376451608E-01     1.946227009        0.9462270094    
FOB,PFOB,DIAG,PSTEP=    0.5983496478E-05    0.6323476576E-05     13.90665769       -0.4547105071E-06
J1,K1,R1,R2,RAT= 110 110    0.1546544348         1.845342926        0.8453429261    
FOB,PFOB,DIAG,PSTEP=    0.9392854903E-05    0.1111126332E-04     12.24272488       -0.9075821021E-06
J1,K1,R1,R2,RAT= 111 111     1.636462474        0.3635529769        0.6364470231    
FOB,PFOB,DIAG,PSTEP=   -0.2079423594E-06    0.3267223104E-06     10.09280077       -0.3237156800E-07
J1,K1,R1,R2,RAT= 112 112    0.3805719936         753.6075151        0.6194280064    
FOB,PFOB,DIAG,PSTEP=   -0.3393363021E-01   -0.3396792051E-01     9.010200848        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8354816928         1480.000802        0.1645183072    
FOB,PFOB,DIAG,PSTEP=   -0.9187856634E-01   -0.9177489132E-01     5.740564265        0.2161636053E-04
J1,K1,R1,R2,RAT= 114 114    0.2147737973        -57443.65637        0.7852262027    
FOB,PFOB,DIAG,PSTEP=   -0.9132283466       -0.9132215178         3.179550154       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000     -0.03393     -0.09188     -0.91323 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3831328515
 Log product of positive Hessian eigenvalues =          519.0689650433
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1795501537
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000034
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000067
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=        0.0000000156
 Unscaled step for mode   64=       -0.0000000004
 Unscaled step for mode   65=        0.0000000104
 Unscaled step for mode   66=        0.0000000049
 Unscaled step for mode   67=       -0.0000000159
 Unscaled step for mode   68=        0.0000000038
 Unscaled step for mode   69=       -0.0000000003
 Unscaled step for mode   70=       -0.0000000125
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=        0.0000000105
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=        0.0000000008
 Unscaled step for mode   75=       -0.0000000026
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=        0.0000000098
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000055
 Unscaled step for mode   81=        0.0000000164
 Unscaled step for mode   82=        0.0000000159
 Unscaled step for mode   83=        0.0000000043
 Unscaled step for mode   84=        0.0000000048
 Unscaled step for mode   85=        0.0000000281
 Unscaled step for mode   86=        0.0000000088
 Unscaled step for mode   87=        0.0000000133
 Unscaled step for mode   88=        0.0000000227
 Unscaled step for mode   89=        0.0000000357
 Unscaled step for mode   90=        0.0000000369
 Unscaled step for mode   91=       -0.0000000515
 Unscaled step for mode   92=       -0.0000000639
 Unscaled step for mode   93=        0.0000000637
 Unscaled step for mode   94=       -0.0000000143
 Unscaled step for mode   95=        0.0000000377
 Unscaled step for mode   96=       -0.0000000266
 Unscaled step for mode   97=        0.0000000756
 Unscaled step for mode   98=        0.0000000133
 Unscaled step for mode   99=       -0.0000000500
 Unscaled step for mode  100=        0.0000000435
 Unscaled step for mode  101=       -0.0000003378
 Unscaled step for mode  102=       -0.0000000009
 Unscaled step for mode  103=        0.0000000927
 Unscaled step for mode  104=       -0.0000000728
 Unscaled step for mode  105=        0.0000002590
 Unscaled step for mode  106=        0.0000002647
 Unscaled step for mode  107=        0.0000010387
 Unscaled step for mode  108=        0.0000014281
 Unscaled step for mode  109=       -0.0000004303
 Unscaled step for mode  110=       -0.0000007672
 Unscaled step for mode  111=        0.0000000206
 Unscaled step for mode  112=        0.0037660813
 Unscaled step for mode  113=        0.0160010476
 Unscaled step for mode  114=       -0.2667778354
 Largest modulus ratio of non-zero e/values=           234.7929428    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.981311E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.168436E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.400579E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.453630E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.956537E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.365558E-14    0.974291E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173911E-06    0.746536E+03  0.232957E-09 0.100000E-04    0.990814E+00
   8   -0.415544E-06    0.674103E+03  0.616440E-09 0.100000E-04    0.946579E+00
   9   -0.746016E-06    0.630580E+03  0.118306E-08 0.100000E-04    0.942310E+00
  10   -0.205903E-07    0.600806E+03  0.342712E-10 0.100000E-04    0.422435E+00
  11    0.291269E-07    0.586389E+03 -0.496716E-10 0.100000E-04    0.853594E+00
  12   -0.106201E-05    0.578880E+03  0.183460E-08 0.100000E-04    0.939211E+00
  13    0.543571E-07    0.565051E+03 -0.961985E-10 0.100000E-04    0.935621E+00
  14    0.445988E-06    0.487466E+03 -0.914910E-09 0.100000E-04    0.930807E+00
  15   -0.440988E-06    0.460656E+03  0.957304E-09 0.100000E-04    0.935907E+00
  16   -0.116069E-06    0.459792E+03  0.252438E-09 0.100000E-04    0.804237E+00
  17   -0.571882E-06    0.441687E+03  0.129477E-08 0.100000E-04    0.902769E+00
  18   -0.433816E-06    0.429337E+03  0.101043E-08 0.100000E-04    0.928628E+00
  19   -0.155201E-06    0.421926E+03  0.367839E-09 0.100000E-04    0.661696E+00
  20   -0.392091E-06    0.408003E+03  0.961000E-09 0.100000E-04    0.919534E+00
  21   -0.436245E-06    0.396357E+03  0.110064E-08 0.100000E-04    0.916074E+00
  22   -0.672111E-06    0.387519E+03  0.173439E-08 0.100000E-04    0.986593E+00
  23    0.832062E-06    0.370013E+03 -0.224874E-08 0.100000E-04    0.919937E+00
  24   -0.453101E-06    0.360562E+03  0.125665E-08 0.100000E-04    0.971009E+00
  25   -0.863849E-07    0.349371E+03  0.247258E-09 0.109000E-04    0.809624E-01
  26   -0.893979E-07    0.335275E+03  0.266641E-09 0.100000E-04    0.737416E+00
  27    0.362821E-06    0.329273E+03 -0.110189E-08 0.100000E-04    0.886517E+00
  28   -0.386308E-06    0.321839E+03  0.120031E-08 0.100000E-04    0.894189E+00
  29   -0.502379E-07    0.319103E+03  0.157435E-09 0.100000E-04    0.407473E+00
  30   -0.140803E-05    0.309434E+03  0.455035E-08 0.100000E-04    0.959804E+00
  31   -0.105532E-05    0.300838E+03  0.350794E-08 0.100000E-04    0.952590E+00
  32   -0.127243E-05    0.290599E+03  0.437866E-08 0.100000E-04    0.966026E+00
  33    0.273026E-09    0.278943E+03 -0.978790E-12 0.109000E-04    0.555629E-02
  34   -0.725321E-07    0.272720E+03  0.265958E-09 0.100000E-04    0.132008E+01
  35    0.108454E-05    0.268530E+03 -0.403879E-08 0.100000E-04    0.965362E+00
  36    0.131835E-05    0.264942E+03 -0.497598E-08 0.100000E-04    0.979368E+00
  37   -0.485949E-06    0.263813E+03  0.184202E-08 0.100000E-04    0.892342E+00
  38   -0.158556E-06    0.253238E+03  0.626117E-09 0.100000E-04    0.992215E+00
  39   -0.348729E-06    0.241564E+03  0.144363E-08 0.100000E-04    0.859542E+00
  40   -0.134615E-05    0.240759E+03  0.559130E-08 0.100000E-04    0.983053E+00
  41   -0.105062E-05    0.233985E+03  0.449012E-08 0.100000E-04    0.996430E+00
  42   -0.177212E-05    0.227508E+03  0.778928E-08 0.100000E-04    0.961042E+00
  43   -0.414660E-07    0.217108E+03  0.190992E-09 0.100000E-04    0.893467E+00
  44   -0.206421E-05    0.214887E+03  0.960603E-08 0.100000E-04    0.964040E+00
  45    0.718415E-06    0.213271E+03 -0.336855E-08 0.100000E-04    0.986106E+00
  46    0.112022E-05    0.207659E+03 -0.539450E-08 0.100000E-04    0.979600E+00
  47   -0.786412E-06    0.203014E+03  0.387369E-08 0.100000E-04    0.962509E+00
  48   -0.120532E-05    0.195462E+03  0.616652E-08 0.100000E-04    0.924387E+00
  49    0.962992E-06    0.194828E+03 -0.494277E-08 0.100000E-04    0.946973E+00
  50    0.132094E-05    0.191346E+03 -0.690343E-08 0.100000E-04    0.879431E+00
  51    0.220104E-06    0.182933E+03 -0.120319E-08 0.100000E-04    0.863812E+00
  52    0.593413E-06    0.174331E+03 -0.340394E-08 0.100000E-04    0.924290E+00
  53    0.919150E-07    0.172329E+03 -0.533370E-09 0.100000E-04    0.551807E+00
  54   -0.237519E-06    0.168206E+03  0.141207E-08 0.100000E-04    0.931464E+00
  55    0.899596E-06    0.163234E+03 -0.551110E-08 0.100000E-04    0.998205E+00
  56    0.139486E-05    0.156882E+03 -0.889116E-08 0.100000E-04    0.966770E+00
  57   -0.360837E-06    0.154893E+03  0.232959E-08 0.100000E-04    0.829241E+00
  58    0.942080E-06    0.152262E+03 -0.618724E-08 0.100000E-04    0.999491E+00
  59    0.683501E-06    0.146687E+03 -0.465958E-08 0.100000E-04    0.992297E+00
  60   -0.188477E-06    0.143362E+03  0.131469E-08 0.100000E-04    0.741761E+00
  61   -0.924372E-06    0.138074E+03  0.669474E-08 0.100000E-04    0.823463E+00
  62   -0.972952E-06    0.135873E+03  0.716074E-08 0.100000E-04    0.964582E+00
  63   -0.203242E-05    0.130301E+03  0.155979E-07 0.100000E-04    0.913619E+00
  64    0.520572E-07    0.128832E+03 -0.404070E-09 0.100000E-04    0.320441E+00
  65   -0.132150E-05    0.126891E+03  0.104144E-07 0.100000E-04    0.881089E+00
  66   -0.605799E-06    0.124114E+03  0.488100E-08 0.100000E-04    0.879866E+00
  67    0.190662E-05    0.120005E+03 -0.158878E-07 0.100000E-04    0.955657E+00
  68   -0.452632E-06    0.118163E+03  0.383058E-08 0.100000E-04    0.925865E+00
  69    0.341745E-07    0.116853E+03 -0.292458E-09 0.100000E-04    0.344274E+00
  70    0.138305E-05    0.110354E+03 -0.125328E-07 0.100000E-04    0.939269E+00
  71   -0.690082E-06    0.106832E+03  0.645949E-08 0.100000E-04    0.915917E+00
  72   -0.109682E-05    0.104445E+03  0.105014E-07 0.100000E-04    0.846349E+00
  73   -0.166478E-06    0.102853E+03  0.161861E-08 0.100000E-04    0.764474E+00
  74   -0.818194E-07    0.995149E+02  0.822182E-09 0.100000E-04    0.612190E+00
  75    0.248895E-06    0.960976E+02 -0.259002E-08 0.100000E-04    0.423847E+00
  76    0.237293E-06    0.941113E+02 -0.252141E-08 0.100000E-04    0.863582E+00
  77   -0.156703E-05    0.919832E+02  0.170361E-07 0.100000E-04    0.954674E+00
  78   -0.891280E-06    0.912235E+02  0.977030E-08 0.100000E-04    0.964235E+00
  79    0.707201E-06    0.884375E+02 -0.799662E-08 0.100000E-04    0.982639E+00
  80    0.474642E-06    0.855981E+02 -0.554501E-08 0.100000E-04    0.909905E+00
  81   -0.132447E-05    0.808321E+02  0.163854E-07 0.100000E-04    0.988679E+00
  82   -0.127610E-05    0.804774E+02  0.158567E-07 0.100000E-04    0.930784E+00
  83   -0.332646E-06    0.779645E+02  0.426663E-08 0.100000E-04    0.816495E+00
  84   -0.349279E-06    0.732925E+02  0.476555E-08 0.100000E-04    0.595636E+00
  85   -0.203983E-05    0.725766E+02  0.281059E-07 0.100000E-04    0.885388E+00
  86   -0.598685E-06    0.679279E+02  0.881354E-08 0.100000E-04    0.843839E+00
  87   -0.862691E-06    0.647701E+02  0.133193E-07 0.100000E-04    0.802224E+00
  88   -0.139209E-05    0.613663E+02  0.226849E-07 0.100000E-04    0.976890E+00
  89   -0.213574E-05    0.598449E+02  0.356880E-07 0.100000E-04    0.937142E+00
  90   -0.218919E-05    0.593969E+02  0.368569E-07 0.100000E-04    0.972024E+00
  91    0.299502E-05    0.581380E+02 -0.515156E-07 0.100000E-04    0.917140E+00
  92    0.357130E-05    0.558823E+02 -0.639076E-07 0.100000E-04    0.944853E+00
  93   -0.334350E-05    0.524496E+02  0.637469E-07 0.100000E-04    0.979715E+00
  94    0.742306E-06    0.520431E+02 -0.142633E-07 0.100000E-04    0.835184E+00
  95   -0.189342E-05    0.502204E+02  0.377022E-07 0.100000E-04    0.876237E+00
  96    0.122900E-05    0.461730E+02 -0.266173E-07 0.100000E-04    0.919692E+00
  97   -0.327680E-05    0.433209E+02  0.756402E-07 0.100000E-04    0.879748E+00
  98   -0.544099E-06    0.409125E+02  0.132991E-07 0.100000E-04    0.660547E+00
  99    0.189380E-05    0.378695E+02 -0.500086E-07 0.100000E-04    0.805265E+00
 100   -0.157440E-05    0.362199E+02  0.434676E-07 0.100000E-04    0.885270E+00
 101    0.109043E-04    0.322816E+02 -0.337786E-06 0.100000E-04    0.936382E+00
 102    0.259511E-07    0.288902E+02 -0.898265E-09 0.109000E-04    0.857711E-01
 103   -0.263817E-05    0.284506E+02  0.927281E-07 0.100000E-04    0.956056E+00
 104    0.191450E-05    0.262896E+02 -0.728237E-07 0.100000E-04    0.825282E+00
 105   -0.604348E-05    0.233363E+02  0.258974E-06 0.100000E-04    0.924408E+00
 106   -0.564321E-05    0.213189E+02  0.264705E-06 0.100000E-04    0.955891E+00
 107   -0.206250E-04    0.198573E+02  0.103866E-05 0.100000E-04    0.917126E+00
 108   -0.235054E-04    0.164593E+02  0.142810E-05 0.100000E-04    0.927319E+00
 109    0.598350E-05    0.139067E+02 -0.430261E-06 0.100000E-04    0.946227E+00
 110    0.939285E-05    0.122427E+02 -0.767219E-06 0.214127E-04    0.845343E+00
 111   -0.207942E-06    0.100928E+02  0.206030E-07 0.100000E-04    0.636447E+00
 112   -0.339336E-01    0.901020E+01  0.100000E-04 0.100000E-04    0.619428E+00
 113   -0.918786E-01    0.574056E+01  0.235618E-04 0.235618E-04    0.164518E+00
 114   -0.913228E+00    0.317955E+01 -0.100000E-04 0.100000E-04    0.785226E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2356183298E-04    0.2667778354    

 Beginning of optimization cycle  572.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996822593
 potential> RMS force:                                               0.0860235730   |gradient|=.9184804207    
 Eigenvalues of the Hessian matrix:
   746.54008    674.10116    630.58334    600.80338    586.38809    578.87985 
   565.04661    487.46573    460.65444    459.79149    441.68604    429.33854 
   421.92579    408.00091    396.35616    387.51750    370.01394    360.56233 
   349.37022    335.27556    329.27364    321.83842    319.10354    309.43324 
   300.83770    290.59899    278.94412    272.72005    268.52997    264.94241 
   263.81402    253.23696    241.56452    240.75903    233.98537    227.50832 
   217.10922    214.88719    213.27067    207.65912    203.01330    195.46119 
   194.82859    191.34613    182.93401    174.33212    172.32888    168.20615 
   163.23321    156.88188    154.89381    152.26152    146.68645    143.36131 
   138.07487    135.87315    130.30034    128.83240    126.89166    124.11261 
   120.00521    118.16290    116.85244    110.35456    106.83215    104.44527 
   102.85294     99.51481     96.09741     94.11102     91.98282     91.22372 
    88.43693     85.59843     80.83219     80.47817     77.96429     73.29221 
    72.57593     67.92761     64.76962     61.36584     59.84463     59.39701 
    58.13794     55.88203     52.44947     52.04265     50.22103     46.17255 
    43.32149     40.91262     37.86948     36.21954     32.28123     28.89059 
    28.45066     26.28987     23.33617     21.31911     19.85721     16.45915 
    13.90672     12.24274     10.09272      9.01183      5.74078      3.17925 
overlap for current and previous eigenvector    109 is         0.9999999873
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999721
overlap for current and previous eigenvector    112 is         0.9999999288
overlap for current and previous eigenvector    113 is         0.9999999185
overlap for current and previous eigenvector    114 is         0.9999999603
J1,K1,R1,R2,RAT=   7   7    0.3558268812E-02     1.996430629        0.9964306289    
FOB,PFOB,DIAG,PSTEP=   -0.1732922203E-06   -0.1739110460E-06     746.5400815        0.2329573666E-09
J1,K1,R1,R2,RAT=   8   8   -0.4621719627E-01     2.046221530        0.9537828037    
FOB,PFOB,DIAG,PSTEP=   -0.4347487730E-06   -0.4155435565E-06     674.1011650        0.6164396053E-09
J1,K1,R1,R2,RAT=   9   9   -0.4893876444E-01     2.048928628        0.9510612356    
FOB,PFOB,DIAG,PSTEP=   -0.7825252416E-06   -0.7460159573E-06     630.5833399        0.1183062874E-08
J1,K1,R1,R2,RAT=  10  10    -1.161228468         3.161236367        0.1612284676    
FOB,PFOB,DIAG,PSTEP=   -0.4450025699E-07   -0.2059030412E-07     600.8033790        0.3427115013E-10
J1,K1,R1,R2,RAT=  11  11   -0.1066111222         2.106613389        0.8933888778    
FOB,PFOB,DIAG,PSTEP=    0.3223211263E-07    0.2912686806E-07     586.3880905       -0.4967160064E-10
J1,K1,R1,R2,RAT= 109 109   -0.4533370449E-01     2.045325032        0.9546662955    
FOB,PFOB,DIAG,PSTEP=    0.6254751715E-05    0.5983496478E-05     13.90671800       -0.4302612900E-06
J1,K1,R1,R2,RAT= 110 110   -0.1515174866         2.151514871        0.8484825134    
FOB,PFOB,DIAG,PSTEP=    0.1081603853E-04    0.9392854903E-05     12.24274089       -0.7672193075E-06
J1,K1,R1,R2,RAT= 111 111     2.508808853       -0.5087937841        0.4912062159    
FOB,PFOB,DIAG,PSTEP=    0.3137413422E-06   -0.2079423594E-06     10.09272472        0.2060303817E-07
J1,K1,R1,R2,RAT= 112 112    0.3475114366         752.7435786        0.6524885634    
FOB,PFOB,DIAG,PSTEP=   -0.3390231308E-01   -0.3393363021E-01     9.011826234        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7857652117         1359.300448        0.2142347883    
FOB,PFOB,DIAG,PSTEP=   -0.9198485151E-01   -0.9187856634E-01     5.740778570        0.2356183298E-04
J1,K1,R1,R2,RAT= 114 114    0.1668528569        -57449.41860        0.8331471431    
FOB,PFOB,DIAG,PSTEP=   -0.9132336513       -0.9132283466         3.179252362       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00001      0.00000 
    -0.00000      0.00000     -0.00001     -0.00001     -0.00002     -0.00003 
     0.00001      0.00001      0.00000     -0.03390     -0.09198     -0.91323 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3831129877
 Log product of positive Hessian eigenvalues =          519.0690532844
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1792523622
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000051
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000013
 Unscaled step for mode   40=        0.0000000057
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000080
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000099
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000077
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=       -0.0000000036
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000047
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=        0.0000000079
 Unscaled step for mode   62=        0.0000000073
 Unscaled step for mode   63=        0.0000000168
 Unscaled step for mode   64=       -0.0000000011
 Unscaled step for mode   65=        0.0000000116
 Unscaled step for mode   66=        0.0000000055
 Unscaled step for mode   67=       -0.0000000165
 Unscaled step for mode   68=        0.0000000041
 Unscaled step for mode   69=       -0.0000000008
 Unscaled step for mode   70=       -0.0000000132
 Unscaled step for mode   71=        0.0000000070
 Unscaled step for mode   72=        0.0000000093
 Unscaled step for mode   73=        0.0000000020
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000013
 Unscaled step for mode   76=       -0.0000000028
 Unscaled step for mode   77=       -0.0000000164
 Unscaled step for mode   78=        0.0000000100
 Unscaled step for mode   79=       -0.0000000081
 Unscaled step for mode   80=       -0.0000000060
 Unscaled step for mode   81=        0.0000000165
 Unscaled step for mode   82=        0.0000000168
 Unscaled step for mode   83=       -0.0000000037
 Unscaled step for mode   84=        0.0000000074
 Unscaled step for mode   85=        0.0000000312
 Unscaled step for mode   86=        0.0000000101
 Unscaled step for mode   87=        0.0000000161
 Unscaled step for mode   88=        0.0000000222
 Unscaled step for mode   89=        0.0000000376
 Unscaled step for mode   90=        0.0000000376
 Unscaled step for mode   91=       -0.0000000552
 Unscaled step for mode   92=       -0.0000000669
 Unscaled step for mode   93=        0.0000000647
 Unscaled step for mode   94=       -0.0000000125
 Unscaled step for mode   95=        0.0000000423
 Unscaled step for mode   96=       -0.0000000285
 Unscaled step for mode   97=        0.0000000840
 Unscaled step for mode   98=        0.0000000190
 Unscaled step for mode   99=       -0.0000000603
 Unscaled step for mode  100=        0.0000000482
 Unscaled step for mode  101=       -0.0000003564
 Unscaled step for mode  102=       -0.0000000088
 Unscaled step for mode  103=        0.0000000963
 Unscaled step for mode  104=       -0.0000000635
 Unscaled step for mode  105=        0.0000002766
 Unscaled step for mode  106=        0.0000002741
 Unscaled step for mode  107=        0.0000011172
 Unscaled step for mode  108=        0.0000015202
 Unscaled step for mode  109=       -0.0000004498
 Unscaled step for mode  110=       -0.0000008835
 Unscaled step for mode  111=       -0.0000000311
 Unscaled step for mode  112=        0.0037619271
 Unscaled step for mode  113=        0.0160189505
 Unscaled step for mode  114=       -0.2668008466
 Largest modulus ratio of non-zero e/values=           234.8162387    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.114850E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.129139E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.249767E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.811254E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.119371E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.343989E-14    0.974291E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173292E-06    0.746540E+03  0.232127E-09 0.100000E-04    0.996431E+00
   8   -0.434749E-06    0.674101E+03  0.644931E-09 0.100000E-04    0.953783E+00
   9   -0.782525E-06    0.630583E+03  0.124095E-08 0.100000E-04    0.951061E+00
  10   -0.445003E-07    0.600803E+03  0.740679E-10 0.109000E-04    0.161228E+00
  11    0.322321E-07    0.586388E+03 -0.549672E-10 0.100000E-04    0.893389E+00
  12   -0.111838E-05    0.578880E+03  0.193197E-08 0.100000E-04    0.946925E+00
  13    0.513193E-07    0.565047E+03 -0.908231E-10 0.100000E-04    0.944115E+00
  14    0.474188E-06    0.487466E+03 -0.972761E-09 0.100000E-04    0.936770E+00
  15   -0.465392E-06    0.460654E+03  0.101028E-08 0.100000E-04    0.944661E+00
  16   -0.139469E-06    0.459791E+03  0.303332E-09 0.100000E-04    0.798392E+00
  17   -0.623375E-06    0.441686E+03  0.141135E-08 0.100000E-04    0.909958E+00
  18   -0.459778E-06    0.429339E+03  0.107090E-08 0.100000E-04    0.940154E+00
  19   -0.121703E-06    0.421926E+03  0.288445E-09 0.100000E-04    0.784160E+00
  20   -0.420108E-06    0.408001E+03  0.102968E-08 0.100000E-04    0.928542E+00
  21   -0.468645E-06    0.396356E+03  0.118238E-08 0.100000E-04    0.925731E+00
  22   -0.677800E-06    0.387517E+03  0.174908E-08 0.100000E-04    0.991536E+00
  23    0.891284E-06    0.370014E+03 -0.240879E-08 0.100000E-04    0.928825E+00
  24   -0.462895E-06    0.360562E+03  0.128381E-08 0.100000E-04    0.978384E+00
  25   -0.515875E-07    0.349370E+03  0.147658E-09 0.100000E-04    0.597181E+00
  26   -0.407255E-07    0.335276E+03  0.121469E-09 0.100000E-04    0.455550E+00
  27    0.401312E-06    0.329274E+03 -0.121878E-08 0.100000E-04    0.893914E+00
  28   -0.423231E-06    0.321838E+03  0.131504E-08 0.100000E-04    0.904420E+00
  29   -0.109698E-06    0.319104E+03  0.343769E-09 0.109000E-04    0.183565E+00
  30   -0.145508E-05    0.309433E+03  0.470239E-08 0.100000E-04    0.966590E+00
  31   -0.109855E-05    0.300838E+03  0.365164E-08 0.100000E-04    0.959037E+00
  32   -0.130778E-05    0.290599E+03  0.450031E-08 0.100000E-04    0.972218E+00
  33   -0.414408E-07    0.278944E+03  0.148563E-09 0.100000E-04    0.149782E+03
  34   -0.300432E-07    0.272720E+03  0.110161E-09 0.100000E-04    0.414204E+00
  35    0.111359E-05    0.268530E+03 -0.414699E-08 0.100000E-04    0.973209E+00
  36    0.134022E-05    0.264942E+03 -0.505855E-08 0.100000E-04    0.983405E+00
  37   -0.535013E-06    0.263814E+03  0.202799E-08 0.100000E-04    0.899034E+00
  38   -0.156431E-06    0.253237E+03  0.617726E-09 0.100000E-04    0.986595E+00
  39   -0.314513E-06    0.241565E+03  0.130198E-08 0.100000E-04    0.901881E+00
  40   -0.136368E-05    0.240759E+03  0.566409E-08 0.100000E-04    0.986980E+00
  41   -0.104618E-05    0.233985E+03  0.447113E-08 0.100000E-04    0.995767E+00
  42   -0.182771E-05    0.227508E+03  0.803358E-08 0.100000E-04    0.968634E+00
  43   -0.433733E-07    0.217109E+03  0.199776E-09 0.100000E-04    0.954005E+00
  44   -0.212518E-05    0.214887E+03  0.988973E-08 0.100000E-04    0.970466E+00
  45    0.707697E-06    0.213271E+03 -0.331831E-08 0.100000E-04    0.985082E+00
  46    0.113953E-05    0.207659E+03 -0.548749E-08 0.100000E-04    0.982761E+00
  47   -0.811923E-06    0.203013E+03  0.399936E-08 0.100000E-04    0.967559E+00
  48   -0.128410E-05    0.195461E+03  0.656961E-08 0.100000E-04    0.934637E+00
  49    0.100883E-05    0.194829E+03 -0.517806E-08 0.100000E-04    0.952396E+00
  50    0.147046E-05    0.191346E+03 -0.768480E-08 0.100000E-04    0.886812E+00
  51    0.248929E-06    0.182934E+03 -0.136076E-08 0.100000E-04    0.869039E+00
  52    0.632058E-06    0.174332E+03 -0.362560E-08 0.100000E-04    0.934876E+00
  53    0.701804E-07    0.172329E+03 -0.407247E-09 0.100000E-04    0.763534E+00
  54   -0.225075E-06    0.168206E+03  0.133809E-08 0.100000E-04    0.947607E+00
  55    0.895908E-06    0.163233E+03 -0.548851E-08 0.100000E-04    0.995900E+00
  56    0.143160E-05    0.156882E+03 -0.912531E-08 0.100000E-04    0.973666E+00
  57   -0.422554E-06    0.154894E+03  0.272803E-08 0.100000E-04    0.828961E+00
  58    0.941378E-06    0.152262E+03 -0.618264E-08 0.100000E-04    0.999255E+00
  59    0.685196E-06    0.146686E+03 -0.467116E-08 0.100000E-04    0.997519E+00
  60   -0.241968E-06    0.143361E+03  0.168782E-08 0.100000E-04    0.716191E+00
  61   -0.108958E-05    0.138075E+03  0.789120E-08 0.100000E-04    0.821280E+00
  62   -0.998095E-06    0.135873E+03  0.734578E-08 0.100000E-04    0.974158E+00
  63   -0.219171E-05    0.130300E+03  0.168204E-07 0.100000E-04    0.921625E+00
  64    0.144185E-06    0.128832E+03 -0.111916E-08 0.100000E-04    0.769731E+00
  65   -0.146910E-05    0.126892E+03  0.115776E-07 0.100000E-04    0.888307E+00
  66   -0.677252E-06    0.124113E+03  0.545675E-08 0.100000E-04    0.882051E+00
  67    0.197765E-05    0.120005E+03 -0.164797E-07 0.100000E-04    0.962745E+00
  68   -0.482935E-06    0.118163E+03  0.408703E-08 0.100000E-04    0.933051E+00
  69    0.900167E-07    0.116852E+03 -0.770345E-09 0.100000E-04    0.634035E+00
  70    0.145569E-05    0.110355E+03 -0.131910E-07 0.100000E-04    0.947480E+00
  71   -0.742576E-06    0.106832E+03  0.695087E-08 0.100000E-04    0.923931E+00
  72   -0.971563E-06    0.104445E+03  0.930213E-08 0.100000E-04    0.885792E+00
  73   -0.208846E-06    0.102853E+03  0.203053E-08 0.100000E-04    0.745507E+00
  74    0.399470E-07    0.995148E+02 -0.401418E-09 0.100000E-04    0.488234E+00
  75    0.125587E-06    0.960974E+02 -0.130687E-08 0.100000E-04    0.504578E+00
  76    0.267487E-06    0.941110E+02 -0.284224E-08 0.100000E-04    0.872758E+00
  77    0.151194E-05    0.919828E+02 -0.164372E-07 0.100000E-04    0.964846E+00
  78   -0.914319E-06    0.912237E+02  0.100228E-07 0.100000E-04    0.974151E+00
  79    0.715509E-06    0.884369E+02 -0.809061E-08 0.100000E-04    0.988253E+00
  80    0.515321E-06    0.855984E+02 -0.602022E-08 0.100000E-04    0.914296E+00
  81   -0.133456E-05    0.808322E+02  0.165102E-07 0.100000E-04    0.992381E+00
  82   -0.135533E-05    0.804782E+02  0.168410E-07 0.100000E-04    0.937917E+00
  83    0.286529E-06    0.779643E+02 -0.367513E-08 0.100000E-04    0.861362E+00
  84   -0.545732E-06    0.732922E+02  0.744598E-08 0.100000E-04    0.437543E+00
  85   -0.226176E-05    0.725759E+02  0.311640E-07 0.100000E-04    0.891201E+00
  86   -0.686298E-06    0.679276E+02  0.101034E-07 0.100000E-04    0.853657E+00
  87   -0.104156E-05    0.647696E+02  0.160810E-07 0.100000E-04    0.792657E+00
  88   -0.136008E-05    0.613658E+02  0.221635E-07 0.100000E-04    0.977011E+00
  89   -0.225307E-05    0.598446E+02  0.376487E-07 0.100000E-04    0.945064E+00
  90   -0.223374E-05    0.593970E+02  0.376069E-07 0.100000E-04    0.979650E+00
  91    0.320857E-05    0.581379E+02 -0.551890E-07 0.100000E-04    0.928696E+00
  92    0.373980E-05    0.558820E+02 -0.669231E-07 0.100000E-04    0.952819E+00
  93   -0.339434E-05    0.524495E+02  0.647164E-07 0.100000E-04    0.984794E+00
  94    0.648775E-06    0.520426E+02 -0.124662E-07 0.100000E-04    0.873998E+00
  95   -0.212238E-05    0.502210E+02  0.422608E-07 0.100000E-04    0.879076E+00
  96    0.131726E-05    0.461726E+02 -0.285291E-07 0.100000E-04    0.928184E+00
  97   -0.363913E-05    0.433215E+02  0.840030E-07 0.100000E-04    0.889426E+00
  98   -0.777486E-06    0.409126E+02  0.190036E-07 0.100000E-04    0.571059E+00
  99    0.228419E-05    0.378695E+02 -0.603175E-07 0.100000E-04    0.793859E+00
 100   -0.174407E-05    0.362195E+02  0.481528E-07 0.100000E-04    0.892227E+00
 101    0.115056E-04    0.322812E+02 -0.356416E-06 0.100000E-04    0.944858E+00
 102    0.254903E-06    0.288906E+02 -0.882304E-08 0.100000E-04    0.782233E+01
 103   -0.273871E-05    0.284507E+02  0.962616E-07 0.100000E-04    0.961892E+00
 104    0.166868E-05    0.262899E+02 -0.634724E-07 0.100000E-04    0.871579E+00
 105   -0.645450E-05    0.233362E+02  0.276588E-06 0.100000E-04    0.931990E+00
 106   -0.584251E-05    0.213191E+02  0.274050E-06 0.100000E-04    0.964684E+00
 107   -0.221843E-04    0.198572E+02  0.111719E-05 0.100000E-04    0.924394E+00
 108   -0.250213E-04    0.164591E+02  0.152021E-05 0.100000E-04    0.935510E+00
 109    0.625475E-05    0.139067E+02 -0.449765E-06 0.100000E-04    0.954666E+00
 110    0.108160E-04    0.122427E+02 -0.883465E-06 0.192907E-04    0.848483E+00
 111    0.313741E-06    0.100927E+02 -0.310859E-07 0.100000E-04    0.491206E+00
 112   -0.339023E-01    0.901183E+01  0.100000E-04 0.100000E-04    0.652489E+00
 113   -0.919849E-01    0.574078E+01  0.212269E-04 0.212269E-04    0.214235E+00
 114   -0.913234E+00    0.317925E+01 -0.100000E-04 0.100000E-04    0.833147E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2122687656E-04    0.2668008466    

 Beginning of optimization cycle  573.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996754167
 potential> RMS force:                                               0.0860250792   |gradient|=.9184965023    
 Eigenvalues of the Hessian matrix:
   746.54409    674.09995    630.58640    600.80100    586.38751    578.88016 
   565.04264    487.46543    460.65309    459.79093    441.68542    429.33979 
   421.92518    407.99926    396.35560    387.51604    370.01441    360.56249 
   349.36944    335.27620    329.27453    321.83821    319.10415    309.43207 
   300.83707    290.59903    278.94557    272.72050    268.53017    264.94275 
   263.81464    253.23632    241.56473    240.75950    233.98614    227.50863 
   217.10989    214.88733    213.27037    207.65960    203.01287    195.46036 
   194.82895    191.34661    182.93473    174.33284    172.32911    168.20642 
   163.23287    156.88165    154.89433    152.26134    146.68583    143.36092 
   138.07539    135.87315    130.30008    128.83262    126.89186    124.11150 
   120.00539    118.16305    116.85203    110.35480    106.83198    104.44552 
   102.85302     99.51475     96.09721     94.11081     91.98239     91.22393 
    88.43641     85.59873     80.83226     80.47885     77.96407     73.29202 
    72.57537     67.92733     64.76915     61.36534     59.84441     59.39712 
    58.13790     55.88182     52.44937     52.04228     50.22162     46.17213 
    43.32206     40.91273     37.86944     36.21922     32.28085     28.89092 
    28.45072     26.29014     23.33607     21.31935     19.85710     16.45905 
    13.90678     12.24276     10.09265      9.01335      5.74097      3.17897 
overlap for current and previous eigenvector    109 is         0.9999999890
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999769
overlap for current and previous eigenvector    112 is        -0.9999999387
overlap for current and previous eigenvector    113 is        -0.9999999286
overlap for current and previous eigenvector    114 is        -0.9999999657
J1,K1,R1,R2,RAT=   7   7   -0.1043776358E-01     2.010427021        0.9895622364    
FOB,PFOB,DIAG,PSTEP=   -0.1751010133E-06   -0.1732922203E-06     746.5440915        0.2321271485E-09
J1,K1,R1,R2,RAT=   8   8    0.5290409140E-01     1.947099522        0.9470959086    
FOB,PFOB,DIAG,PSTEP=   -0.4117488258E-06   -0.4347487730E-06     674.0999469        0.6449310513E-09
J1,K1,R1,R2,RAT=   9   9    0.5672311441E-01     1.943267189        0.9432671887    
FOB,PFOB,DIAG,PSTEP=   -0.7381377576E-06   -0.7825252416E-06     630.5863973        0.1240954513E-08
J1,K1,R1,R2,RAT=  10  10    0.6206103782         1.379397543        0.3793896218    
FOB,PFOB,DIAG,PSTEP=   -0.1688304505E-07   -0.4450025699E-07     600.8009994        0.7406792063E-10
J1,K1,R1,R2,RAT=  11  11    0.1509660672         1.849035905        0.8490339328    
FOB,PFOB,DIAG,PSTEP=    0.2736616215E-07    0.3223211263E-07     586.3875122       -0.5496720202E-10
J1,K1,R1,R2,RAT= 109 109    0.4982477909E-01     1.950166736        0.9501667358    
FOB,PFOB,DIAG,PSTEP=    0.5943108770E-05    0.6254751715E-05     13.90677700       -0.4497647623E-06
J1,K1,R1,R2,RAT= 110 110     1.843771308        0.1562259328        0.8437713079    
FOB,PFOB,DIAG,PSTEP=   -0.9126290491E-05    0.1081603853E-04     12.24275778       -0.8834654453E-06
J1,K1,R1,R2,RAT= 111 111    0.4005323647         1.599482967        0.5994676353    
FOB,PFOB,DIAG,PSTEP=    0.1880787438E-06    0.3137413422E-06     10.09264735       -0.3108589116E-07
J1,K1,R1,R2,RAT= 112 112     751.8815638        0.3877163539        0.6122836461    
FOB,PFOB,DIAG,PSTEP=    0.3386736687E-01   -0.3390231308E-01     9.013345082        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1510.485775       -0.8404111062        0.1595888938    
FOB,PFOB,DIAG,PSTEP=    0.9208726641E-01   -0.9198485151E-01     5.740969971        0.2122687656E-04
J1,K1,R1,R2,RAT= 114 114    -57454.98648        0.2249007880        0.7750992120    
FOB,PFOB,DIAG,PSTEP=    0.9132408008       -0.9132336513         3.178965942       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001      0.00000      0.03387      0.09209      0.91324 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3830914462
 Log product of positive Hessian eigenvalues =          519.0691345961
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1789659418
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000033
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000065
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000153
 Unscaled step for mode   64=       -0.0000000003
 Unscaled step for mode   65=        0.0000000102
 Unscaled step for mode   66=       -0.0000000048
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=       -0.0000000107
 Unscaled step for mode   73=        0.0000000015
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=       -0.0000000028
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=        0.0000000097
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000055
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=       -0.0000000157
 Unscaled step for mode   83=        0.0000000044
 Unscaled step for mode   84=        0.0000000043
 Unscaled step for mode   85=        0.0000000276
 Unscaled step for mode   86=       -0.0000000085
 Unscaled step for mode   87=        0.0000000127
 Unscaled step for mode   88=       -0.0000000226
 Unscaled step for mode   89=        0.0000000353
 Unscaled step for mode   90=        0.0000000366
 Unscaled step for mode   91=        0.0000000504
 Unscaled step for mode   92=        0.0000000631
 Unscaled step for mode   93=        0.0000000633
 Unscaled step for mode   94=        0.0000000144
 Unscaled step for mode   95=       -0.0000000370
 Unscaled step for mode   96=       -0.0000000260
 Unscaled step for mode   97=       -0.0000000739
 Unscaled step for mode   98=        0.0000000125
 Unscaled step for mode   99=       -0.0000000482
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=        0.0000003328
 Unscaled step for mode  102=       -0.0000000009
 Unscaled step for mode  103=       -0.0000000921
 Unscaled step for mode  104=        0.0000000754
 Unscaled step for mode  105=       -0.0000002549
 Unscaled step for mode  106=       -0.0000002622
 Unscaled step for mode  107=       -0.0000010207
 Unscaled step for mode  108=       -0.0000014066
 Unscaled step for mode  109=       -0.0000004274
 Unscaled step for mode  110=        0.0000007454
 Unscaled step for mode  111=       -0.0000000186
 Unscaled step for mode  112=       -0.0037574162
 Unscaled step for mode  113=       -0.0160362422
 Unscaled step for mode  114=        0.2668235010
 Largest modulus ratio of non-zero e/values=           234.8386567    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.238958E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.102072E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.334629E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.315503E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.423998E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.261470E-14    0.974291E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175101E-06    0.746544E+03  0.234549E-09 0.100000E-04    0.989562E+00
   8   -0.411749E-06    0.674100E+03  0.610813E-09 0.100000E-04    0.947096E+00
   9   -0.738138E-06    0.630586E+03  0.117056E-08 0.100000E-04    0.943267E+00
  10   -0.168830E-07    0.600801E+03  0.281009E-10 0.100000E-04    0.379390E+00
  11    0.273662E-07    0.586388E+03 -0.466691E-10 0.100000E-04    0.849034E+00
  12   -0.105118E-05    0.578880E+03  0.181588E-08 0.100000E-04    0.939910E+00
  13    0.546316E-07    0.565043E+03 -0.966858E-10 0.100000E-04    0.935457E+00
  14    0.441551E-06    0.487465E+03 -0.905809E-09 0.100000E-04    0.931173E+00
  15   -0.435798E-06    0.460653E+03  0.946045E-09 0.100000E-04    0.936412E+00
  16   -0.111653E-06    0.459791E+03  0.242835E-09 0.100000E-04    0.800558E+00
  17   -0.563072E-06    0.441685E+03  0.127483E-08 0.100000E-04    0.903263E+00
  18   -0.427862E-06    0.429340E+03  0.996557E-09 0.100000E-04    0.930578E+00
  19   -0.160889E-06    0.421925E+03  0.381321E-09 0.100000E-04    0.678016E+00
  20   -0.386524E-06    0.407999E+03  0.947364E-09 0.100000E-04    0.920057E+00
  21   -0.429898E-06    0.396356E+03  0.108463E-08 0.100000E-04    0.917322E+00
  22   -0.669028E-06    0.387516E+03  0.172645E-08 0.100000E-04    0.987059E+00
  23    0.820810E-06    0.370014E+03 -0.221832E-08 0.100000E-04    0.920926E+00
  24   -0.450595E-06    0.360562E+03  0.124970E-08 0.100000E-04    0.973427E+00
  25   -0.918691E-07    0.349369E+03  0.262957E-09 0.100000E-04    0.219157E+00
  26   -0.996281E-07    0.335276E+03  0.297152E-09 0.100000E-04    0.446331E+00
  27    0.354495E-06    0.329275E+03 -0.107660E-08 0.100000E-04    0.883337E+00
  28   -0.377752E-06    0.321838E+03  0.117373E-08 0.100000E-04    0.892542E+00
  29   -0.352096E-07    0.319104E+03  0.110339E-09 0.100000E-04    0.320967E+00
  30   -0.139274E-05    0.309432E+03  0.450094E-08 0.100000E-04    0.957157E+00
  31   -0.104596E-05    0.300837E+03  0.347683E-08 0.100000E-04    0.952127E+00
  32   -0.126267E-05    0.290599E+03  0.434506E-08 0.100000E-04    0.965504E+00
  33    0.861803E-08    0.278946E+03 -0.308950E-10 0.100000E-04    0.207954E+00
  34   -0.819406E-07    0.272720E+03  0.300456E-09 0.100000E-04    0.727418E+00
  35    0.107505E-05    0.268530E+03 -0.400348E-08 0.100000E-04    0.965392E+00
  36    0.131195E-05    0.264943E+03 -0.495183E-08 0.100000E-04    0.978902E+00
  37   -0.477238E-06    0.263815E+03  0.180899E-08 0.100000E-04    0.892007E+00
  38   -0.158412E-06    0.253236E+03  0.625551E-09 0.100000E-04    0.987334E+00
  39   -0.357965E-06    0.241565E+03  0.148186E-08 0.100000E-04    0.861843E+00
  40   -0.134042E-05    0.240760E+03  0.556747E-08 0.100000E-04    0.982940E+00
  41   -0.105140E-05    0.233986E+03  0.449342E-08 0.100000E-04    0.995012E+00
  42   -0.175466E-05    0.227509E+03  0.771249E-08 0.100000E-04    0.960031E+00
  43   -0.390855E-07    0.217110E+03  0.180026E-09 0.100000E-04    0.901137E+00
  44   -0.204955E-05    0.214887E+03  0.953777E-08 0.100000E-04    0.964411E+00
  45    0.717935E-06    0.213270E+03 -0.336632E-08 0.100000E-04    0.985534E+00
  46    0.111754E-05    0.207660E+03 -0.538160E-08 0.100000E-04    0.980702E+00
  47   -0.781696E-06    0.203013E+03  0.385048E-08 0.100000E-04    0.962771E+00
  48   -0.118576E-05    0.195460E+03  0.606648E-08 0.100000E-04    0.923411E+00
  49    0.955144E-06    0.194829E+03 -0.490247E-08 0.100000E-04    0.946776E+00
  50    0.129017E-05    0.191347E+03 -0.674258E-08 0.100000E-04    0.877390E+00
  51    0.213976E-06    0.182935E+03 -0.116968E-08 0.100000E-04    0.859579E+00
  52    0.583910E-06    0.174333E+03 -0.334940E-08 0.100000E-04    0.923815E+00
  53    0.973423E-07    0.172329E+03 -0.564863E-09 0.100000E-04    0.612970E+00
  54   -0.238951E-06    0.168206E+03  0.142058E-08 0.100000E-04    0.938349E+00
  55    0.895340E-06    0.163233E+03 -0.548504E-08 0.100000E-04    0.999366E+00
  56    0.138670E-05    0.156882E+03 -0.883915E-08 0.100000E-04    0.968640E+00
  57   -0.351385E-06    0.154894E+03  0.226855E-08 0.100000E-04    0.831567E+00
  58    0.938985E-06    0.152261E+03 -0.616693E-08 0.100000E-04    0.997458E+00
  59    0.680346E-06    0.146686E+03 -0.463812E-08 0.100000E-04    0.992922E+00
  60   -0.179988E-06    0.143361E+03  0.125549E-08 0.100000E-04    0.743848E+00
  61   -0.893327E-06    0.138075E+03  0.646985E-08 0.100000E-04    0.819878E+00
  62   -0.965089E-06    0.135873E+03  0.710287E-08 0.100000E-04    0.966931E+00
  63   -0.199855E-05    0.130300E+03  0.153380E-07 0.100000E-04    0.911866E+00
  64    0.331913E-07    0.128833E+03 -0.257631E-09 0.100000E-04    0.230198E+00
  65   -0.129494E-05    0.126892E+03  0.102051E-07 0.100000E-04    0.881446E+00
  66    0.594829E-06    0.124111E+03 -0.479270E-08 0.100000E-04    0.878297E+00
  67    0.188996E-05    0.120005E+03 -0.157490E-07 0.100000E-04    0.955657E+00
  68    0.446657E-06    0.118163E+03 -0.378001E-08 0.100000E-04    0.924878E+00
  69    0.279225E-07    0.116852E+03 -0.238956E-09 0.100000E-04    0.310190E+00
  70    0.136763E-05    0.110355E+03 -0.123930E-07 0.100000E-04    0.939502E+00
  71   -0.680297E-06    0.106832E+03  0.636792E-08 0.100000E-04    0.916132E+00
  72    0.111951E-05    0.104446E+03 -0.107186E-07 0.100000E-04    0.847728E+00
  73   -0.158373E-06    0.102853E+03  0.153980E-08 0.100000E-04    0.758322E+00
  74    0.875189E-07    0.995147E+02 -0.879457E-09 0.109000E-04    0.190876E+00
  75    0.268218E-06    0.960972E+02 -0.279111E-08 0.109000E-04    0.135714E+00
  76    0.230028E-06    0.941108E+02 -0.244422E-08 0.100000E-04    0.859961E+00
  77   -0.157425E-05    0.919824E+02  0.171147E-07 0.100000E-04    0.958793E+00
  78   -0.882146E-06    0.912239E+02  0.967011E-08 0.100000E-04    0.964807E+00
  79    0.702389E-06    0.884364E+02 -0.794231E-08 0.100000E-04    0.981664E+00
  80    0.468666E-06    0.855987E+02 -0.547515E-08 0.100000E-04    0.909458E+00
  81   -0.131842E-05    0.808323E+02  0.163105E-07 0.100000E-04    0.987904E+00
  82    0.125977E-05    0.804789E+02 -0.156534E-07 0.100000E-04    0.929476E+00
  83   -0.339654E-06    0.779641E+02  0.435655E-08 0.100000E-04    0.814588E+00
  84   -0.312384E-06    0.732920E+02  0.426218E-08 0.100000E-04    0.572411E+00
  85   -0.200350E-05    0.725754E+02  0.276058E-07 0.100000E-04    0.885814E+00
  86    0.579317E-06    0.679273E+02 -0.852848E-08 0.100000E-04    0.844117E+00
  87   -0.824346E-06    0.647691E+02  0.127274E-07 0.100000E-04    0.791449E+00
  88    0.138951E-05    0.613653E+02 -0.226433E-07 0.100000E-04    0.978364E+00
  89   -0.211480E-05    0.598444E+02  0.353383E-07 0.100000E-04    0.938630E+00
  90   -0.217448E-05    0.593971E+02  0.366092E-07 0.100000E-04    0.973470E+00
  91   -0.292985E-05    0.581379E+02  0.503948E-07 0.100000E-04    0.913132E+00
  92   -0.352778E-05    0.558818E+02  0.631292E-07 0.100000E-04    0.943307E+00
  93   -0.332024E-05    0.524494E+02  0.633038E-07 0.100000E-04    0.978171E+00
  94   -0.751815E-06    0.520423E+02  0.144462E-07 0.100000E-04    0.841175E+00
  95    0.185943E-05    0.502216E+02 -0.370245E-07 0.100000E-04    0.876083E+00
  96    0.119955E-05    0.461721E+02 -0.259800E-07 0.100000E-04    0.910640E+00
  97    0.320236E-05    0.433221E+02 -0.739199E-07 0.100000E-04    0.879955E+00
  98   -0.510473E-06    0.409127E+02  0.124771E-07 0.100000E-04    0.656565E+00
  99    0.182690E-05    0.378694E+02 -0.482421E-07 0.100000E-04    0.799803E+00
 100    0.154154E-05    0.362192E+02 -0.425613E-07 0.100000E-04    0.883871E+00
 101   -0.107420E-04    0.322808E+02  0.332767E-06 0.100000E-04    0.933636E+00
 102    0.255671E-07    0.288909E+02 -0.884952E-09 0.109000E-04    0.100288E+00
 103    0.261939E-05    0.284507E+02 -0.920674E-07 0.100000E-04    0.956428E+00
 104   -0.198242E-05    0.262901E+02  0.754056E-07 0.100000E-04    0.811983E+00
 105    0.594840E-05    0.233361E+02 -0.254901E-06 0.100000E-04    0.921589E+00
 106    0.558924E-05    0.213194E+02 -0.262168E-06 0.100000E-04    0.956629E+00
 107    0.202689E-04    0.198571E+02 -0.102074E-05 0.100000E-04    0.913657E+00
 108    0.231521E-04    0.164590E+02 -0.140665E-05 0.100000E-04    0.925295E+00
 109    0.594311E-05    0.139068E+02 -0.427353E-06 0.100000E-04    0.950167E+00
 110   -0.912629E-05    0.122428E+02  0.745444E-06 0.173790E-04    0.843771E+00
 111    0.188079E-06    0.100926E+02 -0.186352E-07 0.100000E-04    0.599468E+00
 112    0.338674E-01    0.901335E+01 -0.100000E-04 0.100000E-04    0.612284E+00
 113    0.920873E-01    0.574097E+01 -0.231373E-04 0.231373E-04    0.159589E+00
 114    0.913241E+00    0.317897E+01  0.100000E-04 0.100000E-04    0.775099E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2313729545E-04    0.2668235010    

 Beginning of optimization cycle  574.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996687515
 potential> RMS force:                                               0.0860264811   |gradient|=.9185114708    
 Eigenvalues of the Hessian matrix:
   746.54819    674.09852    630.58956    600.79863    586.38686    578.88048 
   565.03842    487.46502    460.65169    459.79034    441.68475    429.34120 
   421.92455    407.99752    396.35501    387.51454    370.01490    360.56268 
   349.36870    335.27689    329.27547    321.83794    319.10488    309.43086 
   300.83648    290.59910    278.94714    272.72098    268.53043    264.94310 
   263.81535    253.23571    241.56502    240.75999    233.98698    227.50899 
   217.11065    214.88748    213.27007    207.66013    203.01242    195.45951 
   194.82936    191.34710    182.93551    174.33362    172.32936    168.20672 
   163.23252    156.88142    154.89488    152.26115    146.68518    143.36049 
   138.07595    135.87315    130.29979    128.83285    126.89206    124.11031 
   120.00557    118.16318    116.85157    110.35506    106.83179    104.44576 
   102.85309     99.51467     96.09699     94.11057     91.98197     91.22417 
    88.43587     85.59906     80.83233     80.47958     77.96384     73.29178 
    72.57475     67.92701     64.76865     61.36485     59.84418     59.39722 
    58.13783     55.88158     52.44925     52.04187     50.22224     46.17168 
    43.32266     40.91284     37.86938     36.21883     32.28045     28.89126 
    28.45078     26.29042     23.33598     21.31958     19.85701     16.45894 
    13.90684     12.24277     10.09257      9.01495      5.74118      3.17867 
overlap for current and previous eigenvector    109 is         0.9999999876
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999727
overlap for current and previous eigenvector    112 is         0.9999999305
overlap for current and previous eigenvector    113 is         0.9999999207
overlap for current and previous eigenvector    114 is         0.9999999615
J1,K1,R1,R2,RAT=   7   7    0.3187144656E-02     1.996801862        0.9968018622    
FOB,PFOB,DIAG,PSTEP=   -0.1745429380E-06   -0.1751010133E-06     746.5481949        0.2345487899E-09
J1,K1,R1,R2,RAT=   8   8   -0.4581069943E-01     2.045814940        0.9541893006    
FOB,PFOB,DIAG,PSTEP=   -0.4306112875E-06   -0.4117488258E-06     674.0985177        0.6108127254E-09
J1,K1,R1,R2,RAT=   9   9   -0.4858830741E-01     2.048578277        0.9514116926    
FOB,PFOB,DIAG,PSTEP=   -0.7740028017E-06   -0.7381377576E-06     630.5895597        0.1170557692E-08
J1,K1,R1,R2,RAT=  10  10    -1.393611665         3.393619537        0.3936116646    
FOB,PFOB,DIAG,PSTEP=   -0.4041136096E-07   -0.1688304505E-07     600.7986344        0.2810089376E-10
J1,K1,R1,R2,RAT=  11  11   -0.1089174444         2.108919654        0.8910825556    
FOB,PFOB,DIAG,PSTEP=    0.3034681130E-07    0.2736616215E-07     586.3868644       -0.4666907391E-10
J1,K1,R1,R2,RAT= 109 109   -0.4528994427E-01     2.045281268        0.9547100557    
FOB,PFOB,DIAG,PSTEP=    0.6212273003E-05    0.5943108770E-05     13.90683733       -0.4273534242E-06
J1,K1,R1,R2,RAT= 110 110   -0.1532256570         2.153222931        0.8467743430    
FOB,PFOB,DIAG,PSTEP=   -0.1052467425E-04   -0.9126290491E-05     12.24277446        0.7454440131E-06
J1,K1,R1,R2,RAT= 111 111     2.781200489       -0.7811855377        0.2188144623    
FOB,PFOB,DIAG,PSTEP=   -0.3350020401E-06    0.1880787438E-06     10.09257190       -0.1863522397E-07
J1,K1,R1,R2,RAT= 112 112    0.3552311561         751.0046549        0.6447688439    
FOB,PFOB,DIAG,PSTEP=    0.3383534295E-01    0.3386736687E-01     9.014952088       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7897448505         1387.276903        0.2102551495    
FOB,PFOB,DIAG,PSTEP=    0.9219217246E-01    0.9208726641E-01     5.741179601       -0.2313729545E-04
J1,K1,R1,R2,RAT= 114 114    0.1779775090        -57460.74634        0.8220224910    
FOB,PFOB,DIAG,PSTEP=    0.9132464581        0.9132408008         3.178669570        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03384      0.09219      0.91325 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3830713318
 Log product of positive Hessian eigenvalues =          519.0692216051
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1786695704
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000013
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000098
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000075
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000036
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000076
 Unscaled step for mode   62=        0.0000000073
 Unscaled step for mode   63=        0.0000000165
 Unscaled step for mode   64=       -0.0000000010
 Unscaled step for mode   65=        0.0000000113
 Unscaled step for mode   66=       -0.0000000054
 Unscaled step for mode   67=       -0.0000000163
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000130
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=       -0.0000000095
 Unscaled step for mode   73=        0.0000000019
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=       -0.0000000015
 Unscaled step for mode   76=       -0.0000000028
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=        0.0000000099
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000059
 Unscaled step for mode   81=        0.0000000164
 Unscaled step for mode   82=       -0.0000000166
 Unscaled step for mode   83=        0.0000000038
 Unscaled step for mode   84=        0.0000000069
 Unscaled step for mode   85=        0.0000000306
 Unscaled step for mode   86=       -0.0000000098
 Unscaled step for mode   87=        0.0000000154
 Unscaled step for mode   88=       -0.0000000221
 Unscaled step for mode   89=        0.0000000373
 Unscaled step for mode   90=        0.0000000374
 Unscaled step for mode   91=        0.0000000540
 Unscaled step for mode   92=        0.0000000661
 Unscaled step for mode   93=        0.0000000642
 Unscaled step for mode   94=        0.0000000127
 Unscaled step for mode   95=       -0.0000000415
 Unscaled step for mode   96=       -0.0000000278
 Unscaled step for mode   97=       -0.0000000821
 Unscaled step for mode   98=        0.0000000181
 Unscaled step for mode   99=       -0.0000000583
 Unscaled step for mode  100=       -0.0000000472
 Unscaled step for mode  101=        0.0000003509
 Unscaled step for mode  102=        0.0000000069
 Unscaled step for mode  103=       -0.0000000956
 Unscaled step for mode  104=        0.0000000664
 Unscaled step for mode  105=       -0.0000002721
 Unscaled step for mode  106=       -0.0000002713
 Unscaled step for mode  107=       -0.0000010972
 Unscaled step for mode  108=       -0.0000014965
 Unscaled step for mode  109=       -0.0000004467
 Unscaled step for mode  110=        0.0000008597
 Unscaled step for mode  111=        0.0000000332
 Unscaled step for mode  112=       -0.0037531942
 Unscaled step for mode  113=       -0.0160539155
 Unscaled step for mode  114=        0.2668465050
 Largest modulus ratio of non-zero e/values=           234.8618434    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.142193E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.500197E-15    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.454977E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.641035E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.766748E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.310171E-14    0.974291E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174543E-06    0.746548E+03  0.233800E-09 0.100000E-04    0.996802E+00
   8   -0.430611E-06    0.674099E+03  0.638796E-09 0.100000E-04    0.954189E+00
   9   -0.774003E-06    0.630590E+03  0.122743E-08 0.100000E-04    0.951412E+00
  10   -0.404114E-07    0.600799E+03  0.672627E-10 0.100000E-04    0.393612E+00
  11    0.303468E-07    0.586387E+03 -0.517522E-10 0.100000E-04    0.891083E+00
  12   -0.110657E-05    0.578880E+03  0.191157E-08 0.100000E-04    0.947304E+00
  13    0.516373E-07    0.565038E+03 -0.913873E-10 0.100000E-04    0.945191E+00
  14    0.469266E-06    0.487465E+03 -0.962666E-09 0.100000E-04    0.937231E+00
  15   -0.459772E-06    0.460652E+03  0.998090E-09 0.100000E-04    0.944990E+00
  16   -0.134629E-06    0.459790E+03  0.292804E-09 0.100000E-04    0.794227E+00
  17   -0.613622E-06    0.441685E+03  0.138928E-08 0.100000E-04    0.910225E+00
  18   -0.453447E-06    0.429341E+03  0.105615E-08 0.100000E-04    0.940202E+00
  19   -0.127991E-06    0.421925E+03  0.303349E-09 0.100000E-04    0.795522E+00
  20   -0.414018E-06    0.407998E+03  0.101476E-08 0.100000E-04    0.928867E+00
  21   -0.461790E-06    0.396355E+03  0.116509E-08 0.100000E-04    0.925817E+00
  22   -0.674562E-06    0.387515E+03  0.174074E-08 0.100000E-04    0.991729E+00
  23    0.879045E-06    0.370015E+03 -0.237570E-08 0.100000E-04    0.929051E+00
  24   -0.460274E-06    0.360563E+03  0.127654E-08 0.100000E-04    0.978520E+00
  25   -0.575414E-07    0.349369E+03  0.164701E-09 0.100000E-04    0.626341E+00
  26   -0.521998E-07    0.335277E+03  0.155692E-09 0.100000E-04    0.523944E+00
  27    0.392047E-06    0.329275E+03 -0.119064E-08 0.100000E-04    0.894070E+00
  28   -0.413901E-06    0.321838E+03  0.128606E-08 0.100000E-04    0.904303E+00
  29   -0.932071E-07    0.319105E+03  0.292089E-09 0.100000E-04    0.647202E+00
  30   -0.143814E-05    0.309431E+03  0.464770E-08 0.100000E-04    0.967398E+00
  31   -0.108820E-05    0.300836E+03  0.361726E-08 0.100000E-04    0.959611E+00
  32   -0.129709E-05    0.290599E+03  0.446351E-08 0.100000E-04    0.972738E+00
  33   -0.322169E-07    0.278947E+03  0.115495E-09 0.100000E-04    0.173829E+01
  34   -0.404310E-07    0.272721E+03  0.148250E-09 0.100000E-04    0.493415E+00
  35    0.110344E-05    0.268530E+03 -0.410919E-08 0.100000E-04    0.973593E+00
  36    0.133319E-05    0.264943E+03 -0.503200E-08 0.100000E-04    0.983809E+00
  37   -0.525435E-06    0.263815E+03  0.199168E-08 0.100000E-04    0.899009E+00
  38   -0.156406E-06    0.253236E+03  0.617631E-09 0.100000E-04    0.987335E+00
  39   -0.324491E-06    0.241565E+03  0.134329E-08 0.100000E-04    0.906486E+00
  40   -0.135745E-05    0.240760E+03  0.563817E-08 0.100000E-04    0.987298E+00
  41   -0.104719E-05    0.233987E+03  0.447542E-08 0.100000E-04    0.995992E+00
  42   -0.180867E-05    0.227509E+03  0.794989E-08 0.100000E-04    0.969218E+00
  43   -0.409813E-07    0.217111E+03  0.188758E-09 0.100000E-04    0.951496E+00
  44   -0.210926E-05    0.214887E+03  0.981564E-08 0.100000E-04    0.970866E+00
  45    0.707257E-06    0.213270E+03 -0.331625E-08 0.100000E-04    0.985127E+00
  46    0.113666E-05    0.207660E+03 -0.547364E-08 0.100000E-04    0.982896E+00
  47   -0.806693E-06    0.203012E+03  0.397361E-08 0.100000E-04    0.968023E+00
  48   -0.126289E-05    0.195460E+03  0.646113E-08 0.100000E-04    0.934950E+00
  49    0.100012E-05    0.194829E+03 -0.513331E-08 0.100000E-04    0.952912E+00
  50    0.143665E-05    0.191347E+03 -0.750808E-08 0.100000E-04    0.886466E+00
  51    0.242141E-06    0.182936E+03 -0.132364E-08 0.100000E-04    0.868375E+00
  52    0.621735E-06    0.174334E+03 -0.356635E-08 0.100000E-04    0.935221E+00
  53    0.758192E-07    0.172329E+03 -0.439967E-09 0.100000E-04    0.778890E+00
  54   -0.226575E-06    0.168207E+03  0.134701E-08 0.100000E-04    0.948204E+00
  55    0.891183E-06    0.163233E+03 -0.545959E-08 0.100000E-04    0.995358E+00
  56    0.142287E-05    0.156881E+03 -0.906973E-08 0.100000E-04    0.973915E+00
  57   -0.412232E-06    0.154895E+03  0.266136E-08 0.100000E-04    0.826837E+00
  58    0.937706E-06    0.152261E+03 -0.615854E-08 0.100000E-04    0.998638E+00
  59    0.681916E-06    0.146685E+03 -0.464884E-08 0.100000E-04    0.997694E+00
  60   -0.232939E-06    0.143360E+03  0.162485E-08 0.100000E-04    0.705804E+00
  61   -0.105550E-05    0.138076E+03  0.764434E-08 0.100000E-04    0.818463E+00
  62   -0.989872E-06    0.135873E+03  0.728527E-08 0.100000E-04    0.974320E+00
  63   -0.215431E-05    0.130300E+03  0.165335E-07 0.100000E-04    0.922064E+00
  64    0.123388E-06    0.128833E+03 -0.957737E-09 0.100000E-04    0.171748E+01
  65   -0.144006E-05    0.126892E+03  0.113487E-07 0.100000E-04    0.887934E+00
  66    0.665050E-06    0.124110E+03 -0.535854E-08 0.100000E-04    0.881946E+00
  67    0.195946E-05    0.120006E+03 -0.163280E-07 0.100000E-04    0.963230E+00
  68    0.476337E-06    0.118163E+03 -0.403118E-08 0.100000E-04    0.933551E+00
  69    0.831695E-07    0.116852E+03 -0.711754E-09 0.100000E-04    0.978596E+00
  70    0.143880E-05    0.110355E+03 -0.130380E-07 0.100000E-04    0.947959E+00
  71   -0.731958E-06    0.106832E+03  0.685150E-08 0.100000E-04    0.924062E+00
  72    0.996891E-06    0.104446E+03 -0.954458E-08 0.100000E-04    0.890470E+00
  73   -0.199774E-06    0.102853E+03  0.194233E-08 0.100000E-04    0.738581E+00
  74    0.460107E-07    0.995147E+02 -0.462351E-09 0.100000E-04    0.525722E+00
  75    0.146848E-06    0.960970E+02 -0.152812E-08 0.100000E-04    0.547494E+00
  76    0.259368E-06    0.941106E+02 -0.275599E-08 0.100000E-04    0.872450E+00
  77    0.151935E-05    0.919820E+02 -0.165180E-07 0.100000E-04    0.965130E+00
  78   -0.904715E-06    0.912242E+02  0.991749E-08 0.100000E-04    0.974416E+00
  79    0.710360E-06    0.884359E+02 -0.803248E-08 0.100000E-04    0.988652E+00
  80    0.508704E-06    0.855991E+02 -0.594287E-08 0.100000E-04    0.914571E+00
  81   -0.132791E-05    0.808323E+02  0.164280E-07 0.100000E-04    0.992798E+00
  82    0.133730E-05    0.804796E+02 -0.166167E-07 0.100000E-04    0.938455E+00
  83   -0.294476E-06    0.779638E+02  0.377708E-08 0.100000E-04    0.866986E+00
  84   -0.505125E-06    0.732918E+02  0.689198E-08 0.100000E-04    0.382996E+00
  85   -0.222187E-05    0.725748E+02  0.306149E-07 0.100000E-04    0.891004E+00
  86    0.665591E-06    0.679270E+02 -0.979862E-08 0.100000E-04    0.851075E+00
  87   -0.999069E-06    0.647687E+02  0.154252E-07 0.100000E-04    0.788045E+00
  88    0.135730E-05    0.613648E+02 -0.221185E-07 0.100000E-04    0.976816E+00
  89   -0.223014E-05    0.598442E+02  0.372657E-07 0.100000E-04    0.945462E+00
  90   -0.221862E-05    0.593972E+02  0.373522E-07 0.100000E-04    0.979704E+00
  91   -0.313694E-05    0.581378E+02  0.539570E-07 0.100000E-04    0.929316E+00
  92   -0.369201E-05    0.558816E+02  0.660684E-07 0.100000E-04    0.953446E+00
  93   -0.336876E-05    0.524492E+02  0.642290E-07 0.100000E-04    0.985387E+00
  94   -0.659450E-06    0.520419E+02  0.126715E-07 0.100000E-04    0.877142E+00
  95    0.208462E-05    0.502222E+02 -0.415080E-07 0.100000E-04    0.878893E+00
  96    0.128387E-05    0.461717E+02 -0.278063E-07 0.100000E-04    0.929712E+00
  97    0.355839E-05    0.433227E+02 -0.821370E-07 0.100000E-04    0.888825E+00
  98   -0.741321E-06    0.409128E+02  0.181195E-07 0.100000E-04    0.547778E+00
  99    0.220958E-05    0.378694E+02 -0.583473E-07 0.100000E-04    0.790534E+00
 100    0.170786E-05    0.362188E+02 -0.471540E-07 0.100000E-04    0.892103E+00
 101   -0.113260E-04    0.322805E+02  0.350863E-06 0.100000E-04    0.945634E+00
 102   -0.198381E-06    0.288913E+02  0.686647E-08 0.100000E-04    0.575916E+01
 103    0.271850E-05    0.284508E+02 -0.955509E-07 0.100000E-04    0.962162E+00
 104   -0.174567E-05    0.262904E+02  0.663995E-07 0.100000E-04    0.880554E+00
 105    0.634900E-05    0.233360E+02 -0.272069E-06 0.100000E-04    0.932654E+00
 106    0.578381E-05    0.213196E+02 -0.271291E-06 0.100000E-04    0.965190E+00
 107    0.217874E-04    0.198570E+02 -0.109722E-05 0.100000E-04    0.925078E+00
 108    0.246314E-04    0.164589E+02 -0.149654E-05 0.100000E-04    0.936103E+00
 109    0.621227E-05    0.139068E+02 -0.446706E-06 0.100000E-04    0.954710E+00
 110   -0.105247E-04    0.122428E+02  0.859664E-06 0.156568E-04    0.846774E+00
 111   -0.335002E-06    0.100926E+02  0.331929E-07 0.100000E-04    0.218814E+00
 112    0.338353E-01    0.901495E+01 -0.100000E-04 0.100000E-04    0.644769E+00
 113    0.921922E-01    0.574118E+01 -0.208444E-04 0.208444E-04    0.210255E+00
 114    0.913246E+00    0.317867E+01  0.100000E-04 0.100000E-04    0.822022E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2084441031E-04    0.2668465050    

 Beginning of optimization cycle  575.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996618773
 potential> RMS force:                                               0.0860280053   |gradient|=.9185277440    
 Eigenvalues of the Hessian matrix:
   746.55217    674.09733    630.59259    600.79626    586.38630    578.88079 
   565.03450    487.46473    460.65035    459.78978    441.68414    429.34243 
   421.92394    407.99589    396.35446    387.51309    370.01538    360.56283 
   349.36792    335.27752    329.27634    321.83774    319.10546    309.42970 
   300.83584    290.59915    278.94857    272.72142    268.53062    264.94343 
   263.81596    253.23507    241.56522    240.76046    233.98773    227.50928 
   217.11131    214.88763    213.26978    207.66061    203.01200    195.45869 
   194.82970    191.34758    182.93622    174.33434    172.32959    168.20698 
   163.23219    156.88119    154.89539    152.26097    146.68457    143.36011 
   138.07646    135.87315    130.29954    128.83307    126.89227    124.10921 
   120.00575    118.16333    116.85116    110.35530    106.83162    104.44601 
   102.85316     99.51461     96.09679     94.11036     91.98155     91.22439 
    88.43536     85.59936     80.83240     80.48026     77.96363     73.29160 
    72.57420     67.92674     64.76819     61.36435     59.84396     59.39733 
    58.13780     55.88137     52.44915     52.04150     50.22283     46.17126 
    43.32322     40.91296     37.86935     36.21854     32.28007     28.89160 
    28.45084     26.29069     23.33587     21.31983     19.85690     16.45884 
    13.90690     12.24279     10.09250      9.01645      5.74137      3.17838 
overlap for current and previous eigenvector    109 is         0.9999999893
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999773
overlap for current and previous eigenvector    112 is         0.9999999401
overlap for current and previous eigenvector    113 is         0.9999999305
overlap for current and previous eigenvector    114 is         0.9999999668
J1,K1,R1,R2,RAT=   7   7   -0.1035594563E-01     2.010345305        0.9896440544    
FOB,PFOB,DIAG,PSTEP=   -0.1763505048E-06   -0.1745429380E-06     746.5521668        0.2337999598E-09
J1,K1,R1,R2,RAT=   8   8    0.5244286334E-01     1.947560669        0.9475571367    
FOB,PFOB,DIAG,PSTEP=   -0.4080288385E-06   -0.4306112875E-06     674.0973270        0.6387957786E-09
J1,K1,R1,R2,RAT=   9   9    0.5623104621E-01     1.943759354        0.9437593545    
FOB,PFOB,DIAG,PSTEP=   -0.7304796055E-06   -0.7740028017E-06     630.5925863        0.1227427238E-08
J1,K1,R1,R2,RAT=  10  10    0.6722146381         1.327793257        0.3277853619    
FOB,PFOB,DIAG,PSTEP=   -0.1324635982E-07   -0.4041136096E-07     600.7962626        0.6726273770E-10
J1,K1,R1,R2,RAT=  11  11    0.1563000325         1.843701888        0.8436999675    
FOB,PFOB,DIAG,PSTEP=    0.2560360826E-07    0.3034681130E-07     586.3863012       -0.5175220173E-10
J1,K1,R1,R2,RAT= 109 109    0.4898463547E-01     1.951006873        0.9510068732    
FOB,PFOB,DIAG,PSTEP=    0.5907965783E-05    0.6212273003E-05     13.90689637       -0.4467063831E-06
J1,K1,R1,R2,RAT= 110 110    0.1577140348         1.842283104        0.8422831038    
FOB,PFOB,DIAG,PSTEP=   -0.8864783037E-05   -0.1052467425E-04     12.24279198        0.8596641460E-06
J1,K1,R1,R2,RAT= 111 111     1.479317700        0.5206975164        0.4793024836    
FOB,PFOB,DIAG,PSTEP=    0.1605686369E-06   -0.3350020401E-06     10.09249512        0.3319293073E-07
J1,K1,R1,R2,RAT= 112 112    0.3946564272         750.1296811        0.6053435728    
FOB,PFOB,DIAG,PSTEP=    0.3379975893E-01    0.3383534295E-01     9.016454566       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8448735487         1541.548621        0.1551264513    
FOB,PFOB,DIAG,PSTEP=    0.9229328304E-01    0.9219217246E-01     5.741366783       -0.2084441031E-04
J1,K1,R1,R2,RAT= 114 114    0.2350963140        -57466.31467        0.7649036860    
FOB,PFOB,DIAG,PSTEP=    0.9132539304        0.9132464581         3.178384414        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001      0.00000      0.03380      0.09229      0.91325 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3830495677
 Log product of positive Hessian eigenvalues =          519.0693018395
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1783844135
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000033
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000062
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000151
 Unscaled step for mode   64=       -0.0000000001
 Unscaled step for mode   65=        0.0000000100
 Unscaled step for mode   66=       -0.0000000047
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=       -0.0000000109
 Unscaled step for mode   73=        0.0000000015
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=       -0.0000000030
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=       -0.0000000096
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000054
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=       -0.0000000154
 Unscaled step for mode   83=        0.0000000045
 Unscaled step for mode   84=        0.0000000038
 Unscaled step for mode   85=        0.0000000271
 Unscaled step for mode   86=       -0.0000000083
 Unscaled step for mode   87=       -0.0000000121
 Unscaled step for mode   88=       -0.0000000226
 Unscaled step for mode   89=        0.0000000350
 Unscaled step for mode   90=       -0.0000000364
 Unscaled step for mode   91=        0.0000000492
 Unscaled step for mode   92=        0.0000000623
 Unscaled step for mode   93=        0.0000000628
 Unscaled step for mode   94=        0.0000000146
 Unscaled step for mode   95=       -0.0000000364
 Unscaled step for mode   96=       -0.0000000253
 Unscaled step for mode   97=       -0.0000000722
 Unscaled step for mode   98=        0.0000000117
 Unscaled step for mode   99=       -0.0000000465
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003276
 Unscaled step for mode  102=       -0.0000000027
 Unscaled step for mode  103=       -0.0000000914
 Unscaled step for mode  104=        0.0000000782
 Unscaled step for mode  105=       -0.0000002507
 Unscaled step for mode  106=       -0.0000002597
 Unscaled step for mode  107=       -0.0000010023
 Unscaled step for mode  108=       -0.0000013849
 Unscaled step for mode  109=       -0.0000004248
 Unscaled step for mode  110=        0.0000007241
 Unscaled step for mode  111=       -0.0000000159
 Unscaled step for mode  112=       -0.0037486224
 Unscaled step for mode  113=       -0.0160709896
 Unscaled step for mode  114=        0.2668691558
 Largest modulus ratio of non-zero e/values=           234.8841643    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.534403E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.177869E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.885468E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.676867E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.123895E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.449688E-14    0.974292E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176351E-06    0.746552E+03  0.236220E-09 0.100000E-04    0.989644E+00
   8   -0.408029E-06    0.674097E+03  0.605297E-09 0.100000E-04    0.947557E+00
   9   -0.730480E-06    0.630593E+03  0.115840E-08 0.100000E-04    0.943759E+00
  10   -0.132464E-07    0.600796E+03  0.220480E-10 0.100000E-04    0.327785E+00
  11    0.256036E-07    0.586386E+03 -0.436634E-10 0.100000E-04    0.843700E+00
  12   -0.104065E-05    0.578881E+03  0.179769E-08 0.100000E-04    0.940427E+00
  13    0.549091E-07    0.565035E+03 -0.971782E-10 0.100000E-04    0.936640E+00
  14    0.437241E-06    0.487465E+03 -0.896969E-09 0.100000E-04    0.931755E+00
  15   -0.430725E-06    0.460650E+03  0.935037E-09 0.100000E-04    0.936824E+00
  16   -0.107293E-06    0.459790E+03  0.233351E-09 0.100000E-04    0.796952E+00
  17   -0.554400E-06    0.441684E+03  0.125520E-08 0.100000E-04    0.903488E+00
  18   -0.422144E-06    0.429342E+03  0.983233E-09 0.100000E-04    0.930961E+00
  19   -0.166553E-06    0.421924E+03  0.394746E-09 0.100000E-04    0.698710E+00
  20   -0.381066E-06    0.407996E+03  0.933996E-09 0.100000E-04    0.920409E+00
  21   -0.423753E-06    0.396354E+03  0.106913E-08 0.100000E-04    0.917633E+00
  22   -0.666021E-06    0.387513E+03  0.171871E-08 0.100000E-04    0.987338E+00
  23    0.809895E-06    0.370015E+03 -0.218881E-08 0.100000E-04    0.921332E+00
  24   -0.448282E-06    0.360563E+03  0.124328E-08 0.100000E-04    0.973945E+00
  25   -0.971326E-07    0.349368E+03  0.278024E-09 0.100000E-04    0.311952E+00
  26   -0.110249E-06    0.335278E+03  0.328830E-09 0.109000E-04    0.112059E+00
  27    0.346024E-06    0.329276E+03 -0.105086E-08 0.100000E-04    0.882603E+00
  28   -0.369200E-06    0.321838E+03  0.114716E-08 0.100000E-04    0.891999E+00
  29   -0.198490E-07    0.319105E+03  0.622021E-10 0.100000E-04    0.212954E+00
  30   -0.137682E-05    0.309430E+03  0.444954E-08 0.100000E-04    0.957360E+00
  31   -0.103658E-05    0.300836E+03  0.344567E-08 0.100000E-04    0.952561E+00
  32   -0.125282E-05    0.290599E+03  0.431116E-08 0.100000E-04    0.965866E+00
  33    0.170839E-07    0.278949E+03 -0.612439E-10 0.100000E-04    0.530270E+00
  34   -0.915734E-07    0.272721E+03  0.335776E-09 0.100000E-04    0.264931E+00
  35    0.106565E-05    0.268531E+03 -0.396846E-08 0.100000E-04    0.965751E+00
  36    0.130555E-05    0.264943E+03 -0.492764E-08 0.100000E-04    0.979260E+00
  37   -0.468683E-06    0.263816E+03  0.177655E-08 0.100000E-04    0.891986E+00
  38   -0.158425E-06    0.253235E+03  0.625604E-09 0.100000E-04    0.987093E+00
  39   -0.367264E-06    0.241565E+03  0.152035E-08 0.100000E-04    0.868186E+00
  40   -0.133469E-05    0.240760E+03  0.554364E-08 0.100000E-04    0.983232E+00
  41   -0.105250E-05    0.233988E+03  0.449809E-08 0.100000E-04    0.994931E+00
  42   -0.173697E-05    0.227509E+03  0.763473E-08 0.100000E-04    0.960355E+00
  43   -0.368213E-07    0.217111E+03  0.169596E-09 0.100000E-04    0.898484E+00
  44   -0.203517E-05    0.214888E+03  0.947084E-08 0.100000E-04    0.964872E+00
  45    0.717389E-06    0.213270E+03 -0.336376E-08 0.100000E-04    0.985674E+00
  46    0.111519E-05    0.207661E+03 -0.537027E-08 0.100000E-04    0.981114E+00
  47   -0.777078E-06    0.203012E+03  0.382774E-08 0.100000E-04    0.963288E+00
  48   -0.116621E-05    0.195459E+03  0.596653E-08 0.100000E-04    0.923445E+00
  49    0.947360E-06    0.194830E+03 -0.486250E-08 0.100000E-04    0.947243E+00
  50    0.125959E-05    0.191348E+03 -0.658274E-08 0.100000E-04    0.876752E+00
  51    0.207761E-06    0.182936E+03 -0.113570E-08 0.100000E-04    0.858009E+00
  52    0.574407E-06    0.174334E+03 -0.329486E-08 0.100000E-04    0.923869E+00
  53    0.102439E-06    0.172330E+03 -0.594437E-09 0.100000E-04    0.648904E+00
  54   -0.240198E-06    0.168207E+03  0.142799E-08 0.100000E-04    0.939877E+00
  55    0.890712E-06    0.163232E+03 -0.545672E-08 0.100000E-04    0.999471E+00
  56    0.137894E-05    0.156881E+03 -0.878973E-08 0.100000E-04    0.969127E+00
  57   -0.342391E-06    0.154895E+03  0.221046E-08 0.100000E-04    0.830572E+00
  58    0.935343E-06    0.152261E+03 -0.614302E-08 0.100000E-04    0.997479E+00
  59    0.677260E-06    0.146685E+03 -0.461712E-08 0.100000E-04    0.993173E+00
  60   -0.172106E-06    0.143360E+03  0.120052E-08 0.100000E-04    0.738847E+00
  61   -0.862667E-06    0.138076E+03  0.624775E-08 0.100000E-04    0.817300E+00
  62   -0.957521E-06    0.135873E+03  0.704717E-08 0.100000E-04    0.967318E+00
  63   -0.196438E-05    0.130300E+03  0.150759E-07 0.100000E-04    0.911838E+00
  64    0.140758E-07    0.128833E+03 -0.109256E-09 0.109000E-04    0.114076E+00
  65   -0.126911E-05    0.126892E+03  0.100014E-07 0.100000E-04    0.881284E+00
  66    0.583976E-06    0.124109E+03 -0.470534E-08 0.100000E-04    0.878093E+00
  67    0.187346E-05    0.120006E+03 -0.156115E-07 0.100000E-04    0.956111E+00
  68    0.440733E-06    0.118163E+03 -0.372986E-08 0.100000E-04    0.925252E+00
  69    0.222390E-07    0.116851E+03 -0.190319E-09 0.100000E-04    0.267392E+00
  70    0.135243E-05    0.110355E+03 -0.122553E-07 0.100000E-04    0.939967E+00
  71   -0.670642E-06    0.106832E+03  0.627756E-08 0.100000E-04    0.916231E+00
  72    0.114260E-05    0.104446E+03 -0.109396E-07 0.100000E-04    0.853837E+00
  73   -0.150285E-06    0.102853E+03  0.146116E-08 0.100000E-04    0.752275E+00
  74    0.926470E-07    0.995146E+02 -0.930989E-09 0.109000E-04    0.135982E-01
  75    0.287088E-06    0.960968E+02 -0.298749E-08 0.109000E-04    0.449942E-01
  76    0.222720E-06    0.941104E+02 -0.236658E-08 0.100000E-04    0.858702E+00
  77   -0.158060E-05    0.919815E+02  0.171839E-07 0.100000E-04    0.959687E+00
  78    0.873193E-06    0.912244E+02 -0.957192E-08 0.100000E-04    0.965153E+00
  79    0.697406E-06    0.884354E+02 -0.788606E-08 0.100000E-04    0.981765E+00
  80    0.462741E-06    0.855994E+02 -0.540590E-08 0.100000E-04    0.909640E+00
  81   -0.131215E-05    0.808324E+02  0.162330E-07 0.100000E-04    0.988133E+00
  82    0.124338E-05    0.804803E+02 -0.154495E-07 0.100000E-04    0.929754E+00
  83   -0.346999E-06    0.779636E+02  0.445078E-08 0.100000E-04    0.821639E+00
  84   -0.275946E-06    0.732916E+02  0.376504E-08 0.100000E-04    0.546291E+00
  85   -0.196808E-05    0.725742E+02  0.271182E-07 0.100000E-04    0.885775E+00
  86    0.560639E-06    0.679267E+02 -0.825358E-08 0.100000E-04    0.842317E+00
  87    0.785254E-06    0.647682E+02 -0.121241E-07 0.100000E-04    0.785985E+00
  88    0.138662E-05    0.613644E+02 -0.225965E-07 0.100000E-04    0.978397E+00
  89   -0.209476E-05    0.598440E+02  0.350037E-07 0.100000E-04    0.939298E+00
  90    0.216041E-05    0.593973E+02 -0.363722E-07 0.100000E-04    0.973762E+00
  91   -0.286314E-05    0.581378E+02  0.492474E-07 0.100000E-04    0.912715E+00
  92   -0.348342E-05    0.558814E+02  0.623360E-07 0.100000E-04    0.943504E+00
  93   -0.329595E-05    0.524492E+02  0.628409E-07 0.100000E-04    0.978386E+00
  94   -0.760941E-06    0.520415E+02  0.146218E-07 0.100000E-04    0.846096E+00
  95    0.182631E-05    0.502228E+02 -0.363641E-07 0.100000E-04    0.876063E+00
  96    0.116805E-05    0.461713E+02 -0.252981E-07 0.100000E-04    0.909788E+00
  97    0.312987E-05    0.433232E+02 -0.722447E-07 0.100000E-04    0.879550E+00
  98   -0.479061E-06    0.409130E+02  0.117093E-07 0.100000E-04    0.646222E+00
  99    0.175999E-05    0.378693E+02 -0.464754E-07 0.100000E-04    0.796529E+00
 100    0.150890E-05    0.362185E+02 -0.416609E-07 0.100000E-04    0.883499E+00
 101   -0.105751E-04    0.322801E+02  0.327606E-06 0.100000E-04    0.933704E+00
 102    0.778231E-07    0.288916E+02 -0.269362E-08 0.100000E-04    0.392275E+00
 103    0.260154E-05    0.284508E+02 -0.914399E-07 0.100000E-04    0.956973E+00
 104   -0.205652E-05    0.262907E+02  0.782224E-07 0.100000E-04    0.821933E+00
 105    0.585103E-05    0.233359E+02 -0.250731E-06 0.100000E-04    0.921567E+00
 106    0.553624E-05    0.213198E+02 -0.259676E-06 0.100000E-04    0.957173E+00
 107    0.199029E-04    0.198569E+02 -0.100231E-05 0.100000E-04    0.913501E+00
 108    0.227932E-04    0.164588E+02 -0.138486E-05 0.100000E-04    0.925370E+00
 109    0.590797E-05    0.139069E+02 -0.424823E-06 0.100000E-04    0.951007E+00
 110   -0.886478E-05    0.122428E+02  0.724082E-06 0.141052E-04    0.842283E+00
 111    0.160569E-06    0.100925E+02 -0.159097E-07 0.100000E-04    0.479302E+00
 112    0.337998E-01    0.901645E+01 -0.100000E-04 0.100000E-04    0.605344E+00
 113    0.922933E-01    0.574137E+01 -0.227204E-04 0.227204E-04    0.155126E+00
 114    0.913254E+00    0.317838E+01  0.100000E-04 0.100000E-04    0.764904E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2272040724E-04    0.2668691558    

 Beginning of optimization cycle  576.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996551776
 potential> RMS force:                                               0.0860294268   |gradient|=.9185429219    
 Eigenvalues of the Hessian matrix:
   746.55623    674.09593    630.59572    600.79391    586.38567    578.88110 
   565.03034    487.46434    460.64897    459.78920    441.68349    429.34381 
   421.92331    407.99417    396.35386    387.51159    370.01587    360.56302 
   349.36717    335.27819    329.27727    321.83748    319.10618    309.42850 
   300.83525    290.59922    278.95011    272.72190    268.53087    264.94377 
   263.81666    253.23445    241.56551    240.76094    233.98857    227.50963 
   217.11205    214.88777    213.26948    207.66113    203.01156    195.45784 
   194.83010    191.34807    182.93699    174.33511    172.32983    168.20727 
   163.23184    156.88096    154.89592    152.26078    146.68393    143.35969 
   138.07701    135.87316    130.29926    128.83330    126.89247    124.10804 
   120.00594    118.16346    116.85071    110.35555    106.83143    104.44625 
   102.85323     99.51453     96.09658     94.11013     91.98113     91.22462 
    88.43482     85.59968     80.83248     80.48098     77.96341     73.29137 
    72.57360     67.92643     64.76770     61.36386     59.84373     59.39744 
    58.13774     55.88113     52.44904     52.04110     50.22344     46.17082 
    43.32381     40.91307     37.86929     36.21816     32.27968     28.89194 
    28.45090     26.29097     23.33578     21.32006     19.85681     16.45874 
    13.90696     12.24281     10.09242      9.01804      5.74157      3.17809 
overlap for current and previous eigenvector    109 is         0.9999999878
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999732
overlap for current and previous eigenvector    112 is         0.9999999320
overlap for current and previous eigenvector    113 is         0.9999999229
overlap for current and previous eigenvector    114 is         0.9999999627
J1,K1,R1,R2,RAT=   7   7    0.3187480157E-02     1.996801634        0.9968016339    
FOB,PFOB,DIAG,PSTEP=   -0.1757883880E-06   -0.1763505048E-06     746.5562302        0.2362199356E-09
J1,K1,R1,R2,RAT=   8   8   -0.4540558009E-01     2.045409728        0.9545944199    
FOB,PFOB,DIAG,PSTEP=   -0.4265555861E-06   -0.4080288385E-06     674.0959288        0.6052966272E-09
J1,K1,R1,R2,RAT=   9   9   -0.4816469497E-01     2.048154769        0.9518353050    
FOB,PFOB,DIAG,PSTEP=   -0.7656631075E-06   -0.7304796055E-06     630.5957158        0.1158401829E-08
J1,K1,R1,R2,RAT=  10  10    -1.746768784         3.746776631        0.7467687842    
FOB,PFOB,DIAG,PSTEP=   -0.3638459687E-07   -0.1324635982E-07     600.7939055        0.2204800636E-10
J1,K1,R1,R2,RAT=  11  11   -0.1130334318         2.113035585        0.8869665682    
FOB,PFOB,DIAG,PSTEP=    0.2849766886E-07    0.2560360826E-07     586.3856699       -0.4366338062E-10
J1,K1,R1,R2,RAT= 109 109   -0.4459980778E-01     2.044591129        0.9554001922    
FOB,PFOB,DIAG,PSTEP=    0.6171461064E-05    0.5907965783E-05     13.90695672       -0.4248227372E-06
J1,K1,R1,R2,RAT= 110 110   -0.1549539433         2.154951114        0.8450460567    
FOB,PFOB,DIAG,PSTEP=   -0.1023841807E-04   -0.8864783037E-05     12.24280930        0.7240818150E-06
J1,K1,R1,R2,RAT= 111 111     3.218285832        -1.218270996        0.2182709959    
FOB,PFOB,DIAG,PSTEP=   -0.3561832990E-06    0.1605686369E-06     10.09242025       -0.1590970667E-07
J1,K1,R1,R2,RAT= 112 112    0.3627914614         749.2401277        0.6372085386    
FOB,PFOB,DIAG,PSTEP=    0.3376704224E-01    0.3379975893E-01     9.018043572       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7937473240         1415.783112        0.2062526760    
FOB,PFOB,DIAG,PSTEP=    0.9239682805E-01    0.9229328304E-01     5.741571845       -0.2272040724E-04
J1,K1,R1,R2,RAT= 114 114    0.1889717242        -57472.07215        0.8110282758    
FOB,PFOB,DIAG,PSTEP=    0.9132599361        0.9132539304         3.178089458        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03377      0.09240      0.91326 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3830292076
 Log product of positive Hessian eigenvalues =          519.0693876503
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1780894580
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000073
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000035
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000074
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=        0.0000000163
 Unscaled step for mode   64=       -0.0000000008
 Unscaled step for mode   65=        0.0000000111
 Unscaled step for mode   66=       -0.0000000053
 Unscaled step for mode   67=       -0.0000000162
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000129
 Unscaled step for mode   71=        0.0000000068
 Unscaled step for mode   72=       -0.0000000098
 Unscaled step for mode   73=        0.0000000019
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=       -0.0000000017
 Unscaled step for mode   76=       -0.0000000027
 Unscaled step for mode   77=       -0.0000000166
 Unscaled step for mode   78=        0.0000000098
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000059
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=       -0.0000000164
 Unscaled step for mode   83=        0.0000000039
 Unscaled step for mode   84=        0.0000000063
 Unscaled step for mode   85=        0.0000000301
 Unscaled step for mode   86=       -0.0000000095
 Unscaled step for mode   87=       -0.0000000148
 Unscaled step for mode   88=       -0.0000000221
 Unscaled step for mode   89=        0.0000000369
 Unscaled step for mode   90=       -0.0000000371
 Unscaled step for mode   91=        0.0000000527
 Unscaled step for mode   92=        0.0000000652
 Unscaled step for mode   93=        0.0000000637
 Unscaled step for mode   94=        0.0000000129
 Unscaled step for mode   95=       -0.0000000408
 Unscaled step for mode   96=       -0.0000000271
 Unscaled step for mode   97=       -0.0000000803
 Unscaled step for mode   98=        0.0000000173
 Unscaled step for mode   99=       -0.0000000564
 Unscaled step for mode  100=       -0.0000000462
 Unscaled step for mode  101=        0.0000003454
 Unscaled step for mode  102=        0.0000000049
 Unscaled step for mode  103=       -0.0000000949
 Unscaled step for mode  104=        0.0000000693
 Unscaled step for mode  105=       -0.0000002676
 Unscaled step for mode  106=       -0.0000002686
 Unscaled step for mode  107=       -0.0000010774
 Unscaled step for mode  108=       -0.0000014732
 Unscaled step for mode  109=       -0.0000004438
 Unscaled step for mode  110=        0.0000008363
 Unscaled step for mode  111=        0.0000000353
 Unscaled step for mode  112=       -0.0037443342
 Unscaled step for mode  113=       -0.0160884362
 Unscaled step for mode  114=        0.2668921516
 Largest modulus ratio of non-zero e/values=           234.9072423    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.115533E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.916042E-15    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.291542E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.104347E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.880806E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.360530E-14    0.974292E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175788E-06    0.746556E+03  0.235466E-09 0.100000E-04    0.996802E+00
   8   -0.426556E-06    0.674096E+03  0.632782E-09 0.100000E-04    0.954594E+00
   9   -0.765663E-06    0.630596E+03  0.121419E-08 0.100000E-04    0.951835E+00
  10   -0.363846E-07    0.600794E+03  0.605609E-10 0.100000E-04    0.746769E+00
  11    0.284977E-07    0.586386E+03 -0.485988E-10 0.100000E-04    0.886967E+00
  12   -0.109501E-05    0.578881E+03  0.189159E-08 0.100000E-04    0.947765E+00
  13    0.519575E-07    0.565030E+03 -0.919552E-10 0.100000E-04    0.946246E+00
  14    0.464441E-06    0.487464E+03 -0.952769E-09 0.100000E-04    0.937792E+00
  15   -0.454262E-06    0.460649E+03  0.986135E-09 0.100000E-04    0.945356E+00
  16   -0.129867E-06    0.459789E+03  0.282448E-09 0.100000E-04    0.789602E+00
  17   -0.604042E-06    0.441683E+03  0.136759E-08 0.100000E-04    0.910458E+00
  18   -0.447259E-06    0.429344E+03  0.104173E-08 0.100000E-04    0.940504E+00
  19   -0.134198E-06    0.421923E+03  0.318062E-09 0.100000E-04    0.805737E+00
  20   -0.408047E-06    0.407994E+03  0.100013E-08 0.100000E-04    0.929198E+00
  21   -0.455076E-06    0.396354E+03  0.114816E-08 0.100000E-04    0.926083E+00
  22   -0.671405E-06    0.387512E+03  0.173261E-08 0.100000E-04    0.991916E+00
  23    0.867062E-06    0.370016E+03 -0.234331E-08 0.100000E-04    0.929414E+00
  24   -0.457744E-06    0.360563E+03  0.126952E-08 0.100000E-04    0.978894E+00
  25   -0.633827E-07    0.349367E+03  0.181421E-09 0.100000E-04    0.652537E+00
  26   -0.635992E-07    0.335278E+03  0.189691E-09 0.100000E-04    0.576864E+00
  27    0.382895E-06    0.329277E+03 -0.116284E-08 0.100000E-04    0.893443E+00
  28   -0.404705E-06    0.321837E+03  0.125748E-08 0.100000E-04    0.903831E+00
  29   -0.768759E-07    0.319106E+03  0.240910E-09 0.100000E-04    0.187302E+01
  30   -0.142137E-05    0.309429E+03  0.459352E-08 0.100000E-04    0.967646E+00
  31   -0.107803E-05    0.300835E+03  0.358345E-08 0.100000E-04    0.960015E+00
  32   -0.128657E-05    0.290599E+03  0.442730E-08 0.100000E-04    0.973059E+00
  33   -0.230831E-07    0.278950E+03  0.827500E-10 0.100000E-04    0.648838E+00
  34   -0.507363E-07    0.272722E+03  0.186037E-09 0.100000E-04    0.554048E+00
  35    0.109348E-05    0.268531E+03 -0.407209E-08 0.100000E-04    0.973885E+00
  36    0.132630E-05    0.264944E+03 -0.500597E-08 0.100000E-04    0.984104E+00
  37   -0.516025E-06    0.263817E+03  0.195600E-08 0.100000E-04    0.898988E+00
  38   -0.156417E-06    0.253234E+03  0.617676E-09 0.100000E-04    0.987326E+00
  39   -0.334351E-06    0.241566E+03  0.138410E-08 0.100000E-04    0.910382E+00
  40   -0.135133E-05    0.240761E+03  0.561274E-08 0.100000E-04    0.987534E+00
  41   -0.104828E-05    0.233989E+03  0.448004E-08 0.100000E-04    0.995982E+00
  42   -0.178991E-05    0.227510E+03  0.786742E-08 0.100000E-04    0.969520E+00
  43   -0.386637E-07    0.217112E+03  0.178082E-09 0.100000E-04    0.949964E+00
  44   -0.209367E-05    0.214888E+03  0.974310E-08 0.100000E-04    0.971252E+00
  45    0.706841E-06    0.213269E+03 -0.331431E-08 0.100000E-04    0.985296E+00
  46    0.113391E-05    0.207661E+03 -0.546036E-08 0.100000E-04    0.983222E+00
  47   -0.801575E-06    0.203012E+03  0.394842E-08 0.100000E-04    0.968475E+00
  48   -0.124198E-05    0.195458E+03  0.635423E-08 0.100000E-04    0.935025E+00
  49    0.991538E-06    0.194830E+03 -0.508924E-08 0.100000E-04    0.953367E+00
  50    0.140340E-05    0.191348E+03 -0.733426E-08 0.100000E-04    0.885832E+00
  51    0.235432E-06    0.182937E+03 -0.128696E-08 0.100000E-04    0.866814E+00
  52    0.611565E-06    0.174335E+03 -0.350799E-08 0.100000E-04    0.935310E+00
  53    0.813104E-07    0.172330E+03 -0.471830E-09 0.100000E-04    0.793742E+00
  54   -0.228021E-06    0.168207E+03  0.135559E-08 0.100000E-04    0.949301E+00
  55    0.886497E-06    0.163232E+03 -0.543091E-08 0.100000E-04    0.995268E+00
  56    0.141439E-05    0.156881E+03 -0.901571E-08 0.100000E-04    0.974293E+00
  57   -0.402150E-06    0.154896E+03  0.259626E-08 0.100000E-04    0.825464E+00
  58    0.934014E-06    0.152261E+03 -0.613430E-08 0.100000E-04    0.998579E+00
  59    0.678724E-06    0.146684E+03 -0.462712E-08 0.100000E-04    0.997839E+00
  60   -0.224143E-06    0.143360E+03  0.156350E-08 0.100000E-04    0.697650E+00
  61   -0.102199E-05    0.138077E+03  0.740161E-08 0.100000E-04    0.815311E+00
  62   -0.981839E-06    0.135873E+03  0.722614E-08 0.100000E-04    0.974603E+00
  63   -0.211740E-05    0.130299E+03  0.162503E-07 0.100000E-04    0.922102E+00
  64    0.102801E-06    0.128833E+03 -0.797935E-09 0.100000E-04    0.530335E+01
  65   -0.141160E-05    0.126892E+03  0.111244E-07 0.100000E-04    0.887723E+00
  66    0.653026E-06    0.124108E+03 -0.526176E-08 0.100000E-04    0.881757E+00
  67    0.194161E-05    0.120006E+03 -0.161793E-07 0.100000E-04    0.963626E+00
  68    0.469846E-06    0.118163E+03 -0.397624E-08 0.100000E-04    0.933944E+00
  69    0.765159E-07    0.116851E+03 -0.654818E-09 0.100000E-04    0.144062E+01
  70    0.142224E-05    0.110356E+03 -0.128878E-07 0.100000E-04    0.948383E+00
  71   -0.721475E-06    0.106831E+03  0.675340E-08 0.100000E-04    0.924203E+00
  72    0.102200E-05    0.104446E+03 -0.978496E-08 0.100000E-04    0.894449E+00
  73   -0.190854E-06    0.102853E+03  0.185560E-08 0.100000E-04    0.730053E+00
  74    0.518666E-07    0.995145E+02 -0.521196E-09 0.100000E-04    0.559830E+00
  75    0.167758E-06    0.960966E+02 -0.174572E-08 0.100000E-04    0.584341E+00
  76    0.251401E-06    0.941101E+02 -0.267135E-08 0.100000E-04    0.871222E+00
  77    0.152655E-05    0.919811E+02 -0.165964E-07 0.100000E-04    0.965804E+00
  78   -0.895288E-06    0.912246E+02  0.981411E-08 0.100000E-04    0.974695E+00
  79    0.705240E-06    0.884348E+02 -0.797469E-08 0.100000E-04    0.988767E+00
  80    0.502161E-06    0.855997E+02 -0.586639E-08 0.100000E-04    0.914813E+00
  81   -0.132137E-05    0.808325E+02  0.163470E-07 0.100000E-04    0.992979E+00
  82    0.131954E-05    0.804810E+02 -0.163957E-07 0.100000E-04    0.938751E+00
  83   -0.302436E-06    0.779634E+02  0.387921E-08 0.100000E-04    0.871577E+00
  84   -0.465215E-06    0.732914E+02  0.634747E-08 0.100000E-04    0.314106E+00
  85   -0.218270E-05    0.725736E+02  0.300756E-07 0.100000E-04    0.890949E+00
  86    0.645326E-06    0.679264E+02 -0.950036E-08 0.100000E-04    0.848945E+00
  87    0.956986E-06    0.647677E+02 -0.147757E-07 0.100000E-04    0.781303E+00
  88    0.135461E-05    0.613639E+02 -0.220750E-07 0.100000E-04    0.976914E+00
  89   -0.220780E-05    0.598437E+02  0.368928E-07 0.100000E-04    0.946036E+00
  90    0.220383E-05    0.593974E+02 -0.371031E-07 0.100000E-04    0.979903E+00
  91   -0.306621E-05    0.581377E+02  0.527405E-07 0.100000E-04    0.929073E+00
  92   -0.364476E-05    0.558811E+02  0.652234E-07 0.100000E-04    0.953684E+00
  93   -0.334344E-05    0.524490E+02  0.637464E-07 0.100000E-04    0.985592E+00
  94   -0.669970E-06    0.520411E+02  0.128739E-07 0.100000E-04    0.880449E+00
  95    0.204760E-05    0.502234E+02 -0.407698E-07 0.100000E-04    0.878833E+00
  96    0.125063E-05    0.461708E+02 -0.270871E-07 0.100000E-04    0.929293E+00
  97    0.347930E-05    0.433238E+02 -0.803091E-07 0.100000E-04    0.888360E+00
  98   -0.706009E-06    0.409131E+02  0.172563E-07 0.100000E-04    0.526267E+00
  99    0.213595E-05    0.378693E+02 -0.564032E-07 0.100000E-04    0.786386E+00
 100    0.167221E-05    0.362182E+02 -0.461704E-07 0.100000E-04    0.891767E+00
 101   -0.111484E-04    0.322797E+02  0.345368E-06 0.100000E-04    0.945795E+00
 102   -0.142469E-06    0.288919E+02  0.493109E-08 0.109000E-04    0.169335E+00
 103    0.269878E-05    0.284509E+02 -0.948575E-07 0.100000E-04    0.962623E+00
 104   -0.182297E-05    0.262910E+02  0.693381E-07 0.100000E-04    0.886412E+00
 105    0.624461E-05    0.233358E+02 -0.267598E-06 0.100000E-04    0.932733E+00
 106    0.572647E-05    0.213201E+02 -0.268595E-06 0.100000E-04    0.965640E+00
 107    0.213946E-04    0.198568E+02 -0.107745E-05 0.100000E-04    0.925047E+00
 108    0.242462E-04    0.164587E+02 -0.147315E-05 0.100000E-04    0.936251E+00
 109    0.617146E-05    0.139070E+02 -0.443768E-06 0.100000E-04    0.955400E+00
 110   -0.102384E-04    0.122428E+02  0.836280E-06 0.127074E-04    0.845046E+00
 111   -0.356183E-06    0.100924E+02  0.352922E-07 0.100000E-04    0.218271E+00
 112    0.337670E-01    0.901804E+01 -0.100000E-04 0.100000E-04    0.637209E+00
 113    0.923968E-01    0.574157E+01 -0.204688E-04 0.204688E-04    0.206253E+00
 114    0.913260E+00    0.317809E+01  0.100000E-04 0.100000E-04    0.811028E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2046883535E-04    0.2668921516    

 Beginning of optimization cycle  577.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996482722
 potential> RMS force:                                               0.0860309686   |gradient|=.9185593843    
 Eigenvalues of the Hessian matrix:
   746.56016    674.09477    630.59871    600.79154    586.38512    578.88140 
   565.02646    487.46407    460.64763    459.78864    441.68289    429.34500 
   421.92271    407.99256    396.35332    387.51015    370.01635    360.56316 
   349.36638    335.27881    329.27814    321.83728    319.10673    309.42735 
   300.83460    290.59927    278.95152    272.72234    268.53105    264.94410 
   263.81726    253.23381    241.56570    240.76139    233.98930    227.50991 
   217.11270    214.88792    213.26919    207.66160    203.01114    195.45703 
   194.83044    191.34854    182.93768    174.33581    172.33006    168.20753 
   163.23152    156.88073    154.89643    152.26061    146.68332    143.35931 
   138.07752    135.87316    130.29902    128.83351    126.89268    124.10696 
   120.00611    118.16361    116.85031    110.35579    106.83127    104.44650 
   102.85331     99.51447     96.09639     94.10993     91.98070     91.22483 
    88.43431     85.59998     80.83255     80.48164     77.96320     73.29119 
    72.57306     67.92617     64.76724     61.36337     59.84352     59.39755 
    58.13770     55.88093     52.44894     52.04075     50.22402     46.17041 
    43.32436     40.91319     37.86927     36.21788     32.27930     28.89227 
    28.45096     26.29123     23.33567     21.32031     19.85670     16.45864 
    13.90702     12.24283     10.09234      9.01953      5.74175      3.17781 
overlap for current and previous eigenvector    109 is         0.9999999895
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999778
overlap for current and previous eigenvector    112 is         0.9999999414
overlap for current and previous eigenvector    113 is         0.9999999323
overlap for current and previous eigenvector    114 is         0.9999999678
J1,K1,R1,R2,RAT=   7   7   -0.1022230818E-01     2.010211768        0.9897776918    
FOB,PFOB,DIAG,PSTEP=   -0.1775853605E-06   -0.1757883880E-06     746.5601648        0.2354657035E-09
J1,K1,R1,R2,RAT=   8   8    0.5198113588E-01     1.948022317        0.9480188641    
FOB,PFOB,DIAG,PSTEP=   -0.4043827805E-06   -0.4265555861E-06     674.0947650        0.6327817272E-09
J1,K1,R1,R2,RAT=   9   9    0.5575101037E-01     1.944239486        0.9442394858    
FOB,PFOB,DIAG,PSTEP=   -0.7229764128E-06   -0.7656631075E-06     630.5987124        0.1214190151E-08
J1,K1,R1,R2,RAT=  10  10    0.7344239069         1.265583964        0.2655760931    
FOB,PFOB,DIAG,PSTEP=   -0.9662984243E-08   -0.3638459687E-07     600.7915412        0.6056086212E-10
J1,K1,R1,R2,RAT=  11  11    0.1621721177         1.837829752        0.8378278823    
FOB,PFOB,DIAG,PSTEP=    0.2387614587E-07    0.2849766886E-07     586.3851217       -0.4859884939E-10
J1,K1,R1,R2,RAT= 109 109    0.4824993147E-01     1.951741571        0.9517415709    
FOB,PFOB,DIAG,PSTEP=    0.5873687226E-05    0.6171461064E-05     13.90701581       -0.4437679061E-06
J1,K1,R1,R2,RAT= 110 110    0.1592652988         1.840731740        0.8407317398    
FOB,PFOB,DIAG,PSTEP=   -0.8607790941E-05   -0.1023841807E-04     12.24282743        0.8362801230E-06
J1,K1,R1,R2,RAT= 111 111     1.376686326        0.6233287765        0.3766712235    
FOB,PFOB,DIAG,PSTEP=    0.1341656756E-06   -0.3561832990E-06     10.09234404        0.3529215888E-07
J1,K1,R1,R2,RAT= 112 112    0.4014618762         748.3524588        0.5985381238    
FOB,PFOB,DIAG,PSTEP=    0.3373083226E-01    0.3376704224E-01     9.019529997       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8494430309         1573.199630        0.1505569691    
FOB,PFOB,DIAG,PSTEP=    0.9249666057E-01    0.9239682805E-01     5.741754887       -0.2046883535E-04
J1,K1,R1,R2,RAT= 114 114    0.2451444437        -57477.64076        0.7548555563    
FOB,PFOB,DIAG,PSTEP=    0.9132677263        0.9132599361         3.177805558        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001      0.00000      0.03373      0.09250      0.91327 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3830072244
 Log product of positive Hessian eigenvalues =          519.0694668350
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1778055577
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000004
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000000
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000064
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000032
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000060
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000148
 Unscaled step for mode   64=        0.0000000000
 Unscaled step for mode   65=        0.0000000098
 Unscaled step for mode   66=       -0.0000000046
 Unscaled step for mode   67=       -0.0000000155
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000121
 Unscaled step for mode   71=        0.0000000062
 Unscaled step for mode   72=       -0.0000000112
 Unscaled step for mode   73=        0.0000000014
 Unscaled step for mode   74=       -0.0000000010
 Unscaled step for mode   75=       -0.0000000032
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=        0.0000000173
 Unscaled step for mode   78=       -0.0000000095
 Unscaled step for mode   79=       -0.0000000078
 Unscaled step for mode   80=       -0.0000000053
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=       -0.0000000152
 Unscaled step for mode   83=        0.0000000045
 Unscaled step for mode   84=        0.0000000033
 Unscaled step for mode   85=        0.0000000266
 Unscaled step for mode   86=       -0.0000000080
 Unscaled step for mode   87=       -0.0000000115
 Unscaled step for mode   88=       -0.0000000226
 Unscaled step for mode   89=        0.0000000347
 Unscaled step for mode   90=       -0.0000000361
 Unscaled step for mode   91=        0.0000000481
 Unscaled step for mode   92=        0.0000000616
 Unscaled step for mode   93=        0.0000000624
 Unscaled step for mode   94=        0.0000000148
 Unscaled step for mode   95=       -0.0000000357
 Unscaled step for mode   96=       -0.0000000246
 Unscaled step for mode   97=       -0.0000000706
 Unscaled step for mode   98=        0.0000000110
 Unscaled step for mode   99=       -0.0000000447
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=        0.0000003225
 Unscaled step for mode  102=       -0.0000000045
 Unscaled step for mode  103=       -0.0000000908
 Unscaled step for mode  104=        0.0000000810
 Unscaled step for mode  105=       -0.0000002466
 Unscaled step for mode  106=       -0.0000002572
 Unscaled step for mode  107=       -0.0000009842
 Unscaled step for mode  108=       -0.0000013634
 Unscaled step for mode  109=       -0.0000004224
 Unscaled step for mode  110=        0.0000007031
 Unscaled step for mode  111=       -0.0000000133
 Unscaled step for mode  112=       -0.0037397027
 Unscaled step for mode  113=       -0.0161052972
 Unscaled step for mode  114=        0.2669147980
 Largest modulus ratio of non-zero e/values=           234.9294666    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.869422E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.184943E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.804912E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.194614E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.772636E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.478802E-14    0.974292E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177585E-06    0.746560E+03  0.237871E-09 0.100000E-04    0.989778E+00
   8   -0.404383E-06    0.674095E+03  0.599890E-09 0.100000E-04    0.948019E+00
   9   -0.722976E-06    0.630599E+03  0.114649E-08 0.100000E-04    0.944239E+00
  10   -0.966298E-08    0.600792E+03  0.160838E-10 0.100000E-04    0.265576E+00
  11    0.238761E-07    0.586385E+03 -0.407175E-10 0.100000E-04    0.837828E+00
  12   -0.103033E-05    0.578881E+03  0.177987E-08 0.100000E-04    0.940935E+00
  13    0.551866E-07    0.565026E+03 -0.976709E-10 0.100000E-04    0.937850E+00
  14    0.433014E-06    0.487464E+03 -0.888300E-09 0.100000E-04    0.932334E+00
  15   -0.425748E-06    0.460648E+03  0.924237E-09 0.100000E-04    0.937229E+00
  16   -0.103004E-06    0.459789E+03  0.224024E-09 0.100000E-04    0.793148E+00
  17   -0.545879E-06    0.441683E+03  0.123591E-08 0.100000E-04    0.903711E+00
  18   -0.416536E-06    0.429345E+03  0.970166E-09 0.100000E-04    0.931302E+00
  19   -0.172134E-06    0.421923E+03  0.407975E-09 0.100000E-04    0.717312E+00
  20   -0.375712E-06    0.407993E+03  0.920879E-09 0.100000E-04    0.920757E+00
  21   -0.417724E-06    0.396353E+03  0.105392E-08 0.100000E-04    0.917921E+00
  22   -0.663084E-06    0.387510E+03  0.171114E-08 0.100000E-04    0.987607E+00
  23    0.799193E-06    0.370016E+03 -0.215988E-08 0.100000E-04    0.921722E+00
  24   -0.446027E-06    0.360563E+03  0.123703E-08 0.100000E-04    0.974403E+00
  25   -0.102311E-06    0.349366E+03  0.292848E-09 0.100000E-04    0.385814E+00
  26   -0.120722E-06    0.335279E+03  0.360064E-09 0.109000E-04    0.101837E+00
  27    0.337689E-06    0.329278E+03 -0.102554E-08 0.100000E-04    0.881932E+00
  28   -0.360786E-06    0.321837E+03  0.112102E-08 0.100000E-04    0.891479E+00
  29   -0.471037E-08    0.319107E+03  0.147611E-10 0.109000E-04    0.612706E-01
  30   -0.136117E-05    0.309427E+03  0.439900E-08 0.100000E-04    0.957651E+00
  31   -0.102738E-05    0.300835E+03  0.341511E-08 0.100000E-04    0.953020E+00
  32   -0.124316E-05    0.290599E+03  0.427790E-08 0.100000E-04    0.966255E+00
  33    0.254306E-07    0.278952E+03 -0.911649E-10 0.100000E-04    0.898305E+00
  34   -0.101079E-06    0.272722E+03  0.370631E-09 0.109000E-04    0.775104E-02
  35    0.105644E-05    0.268531E+03 -0.393414E-08 0.100000E-04    0.966122E+00
  36    0.129930E-05    0.264944E+03 -0.490404E-08 0.100000E-04    0.979637E+00
  37   -0.460282E-06    0.263817E+03  0.174470E-08 0.100000E-04    0.891971E+00
  38   -0.158447E-06    0.253234E+03  0.625693E-09 0.100000E-04    0.987024E+00
  39   -0.376422E-06    0.241566E+03  0.155826E-08 0.100000E-04    0.874171E+00
  40   -0.132908E-05    0.240761E+03  0.552032E-08 0.100000E-04    0.983533E+00
  41   -0.105363E-05    0.233989E+03  0.450288E-08 0.100000E-04    0.994897E+00
  42   -0.171961E-05    0.227510E+03  0.755840E-08 0.100000E-04    0.960720E+00
  43   -0.346158E-07    0.217113E+03  0.159437E-09 0.100000E-04    0.895299E+00
  44   -0.202109E-05    0.214888E+03  0.940534E-08 0.100000E-04    0.965332E+00
  45    0.716866E-06    0.213269E+03 -0.336132E-08 0.100000E-04    0.985818E+00
  46    0.111293E-05    0.207662E+03 -0.535933E-08 0.100000E-04    0.981494E+00
  47   -0.772564E-06    0.203011E+03  0.380553E-08 0.100000E-04    0.963808E+00
  48   -0.114699E-05    0.195457E+03  0.586823E-08 0.100000E-04    0.923511E+00
  49    0.939708E-06    0.194830E+03 -0.482321E-08 0.100000E-04    0.947724E+00
  50    0.122957E-05    0.191349E+03 -0.642580E-08 0.100000E-04    0.876132E+00
  51    0.201643E-06    0.182938E+03 -0.110225E-08 0.100000E-04    0.856476E+00
  52    0.565065E-06    0.174336E+03 -0.324124E-08 0.100000E-04    0.923957E+00
  53    0.107427E-06    0.172330E+03 -0.623382E-09 0.100000E-04    0.678799E+00
  54   -0.241427E-06    0.168208E+03  0.143529E-08 0.100000E-04    0.941206E+00
  55    0.886183E-06    0.163232E+03 -0.542900E-08 0.100000E-04    0.999646E+00
  56    0.137137E-05    0.156881E+03 -0.874147E-08 0.100000E-04    0.969581E+00
  57   -0.333565E-06    0.154896E+03  0.215347E-08 0.100000E-04    0.829447E+00
  58    0.931766E-06    0.152261E+03 -0.611955E-08 0.100000E-04    0.997594E+00
  59    0.674257E-06    0.146683E+03 -0.459668E-08 0.100000E-04    0.993419E+00
  60   -0.164367E-06    0.143359E+03  0.114654E-08 0.100000E-04    0.733315E+00
  61   -0.832548E-06    0.138078E+03  0.602957E-08 0.100000E-04    0.814626E+00
  62   -0.950091E-06    0.135873E+03  0.699249E-08 0.100000E-04    0.967665E+00
  63   -0.193078E-05    0.130299E+03  0.148180E-07 0.100000E-04    0.911862E+00
  64   -0.478158E-08    0.128834E+03  0.371144E-10 0.109000E-04    0.465114E-01
  65   -0.124377E-05    0.126893E+03  0.980171E-08 0.100000E-04    0.881102E+00
  66    0.573301E-06    0.124107E+03 -0.461941E-08 0.100000E-04    0.877913E+00
  67    0.185731E-05    0.120006E+03 -0.154768E-07 0.100000E-04    0.956578E+00
  68    0.434917E-06    0.118164E+03 -0.368064E-08 0.100000E-04    0.925657E+00
  69    0.166678E-07    0.116850E+03 -0.142642E-09 0.100000E-04    0.217832E+00
  70    0.133754E-05    0.110356E+03 -0.121202E-07 0.100000E-04    0.940439E+00
  71   -0.661108E-06    0.106831E+03  0.618834E-08 0.100000E-04    0.916328E+00
  72    0.116540E-05    0.104447E+03 -0.111578E-07 0.100000E-04    0.859694E+00
  73   -0.142343E-06    0.102853E+03  0.138394E-08 0.100000E-04    0.745816E+00
  74    0.976487E-07    0.995145E+02 -0.981252E-09 0.109000E-04    0.117310E+00
  75    0.305680E-06    0.960964E+02 -0.318098E-08 0.109000E-04    0.177845E+00
  76    0.215576E-06    0.941099E+02 -0.229069E-08 0.100000E-04    0.857500E+00
  77   -0.158689E-05    0.919807E+02  0.172524E-07 0.100000E-04    0.960478E+00
  78    0.864396E-06    0.912248E+02 -0.947544E-08 0.100000E-04    0.965489E+00
  79    0.692482E-06    0.884343E+02 -0.783047E-08 0.100000E-04    0.981909E+00
  80    0.456888E-06    0.856000E+02 -0.533748E-08 0.100000E-04    0.909837E+00
  81   -0.130603E-05    0.808325E+02  0.161573E-07 0.100000E-04    0.988393E+00
  82    0.122730E-05    0.804816E+02 -0.152494E-07 0.100000E-04    0.930079E+00
  83   -0.354298E-06    0.779632E+02  0.454443E-08 0.100000E-04    0.828519E+00
  84   -0.240151E-06    0.732912E+02  0.327667E-08 0.100000E-04    0.516214E+00
  85   -0.193326E-05    0.725731E+02  0.266388E-07 0.100000E-04    0.885718E+00
  86    0.542313E-06    0.679262E+02 -0.798387E-08 0.100000E-04    0.840371E+00
  87    0.746734E-06    0.647672E+02 -0.115295E-07 0.100000E-04    0.780297E+00
  88    0.138387E-05    0.613634E+02 -0.225521E-07 0.100000E-04    0.978396E+00
  89   -0.207520E-05    0.598435E+02  0.346772E-07 0.100000E-04    0.939940E+00
  90    0.214659E-05    0.593976E+02 -0.361394E-07 0.100000E-04    0.974023E+00
  91   -0.279762E-05    0.581377E+02  0.481205E-07 0.100000E-04    0.912402E+00
  92   -0.343977E-05    0.558809E+02  0.615554E-07 0.100000E-04    0.943758E+00
  93   -0.327209E-05    0.524489E+02  0.623863E-07 0.100000E-04    0.978661E+00
  94   -0.769955E-06    0.520407E+02  0.147952E-07 0.100000E-04    0.850762E+00
  95    0.179382E-05    0.502240E+02 -0.357165E-07 0.100000E-04    0.876041E+00
  96    0.113704E-05    0.461704E+02 -0.246270E-07 0.100000E-04    0.909168E+00
  97    0.305878E-05    0.433244E+02 -0.706018E-07 0.100000E-04    0.879113E+00
  98   -0.448169E-06    0.409132E+02  0.109541E-07 0.100000E-04    0.634788E+00
  99    0.169412E-05    0.378693E+02 -0.447361E-07 0.100000E-04    0.793147E+00
 100    0.147679E-05    0.362179E+02 -0.407753E-07 0.100000E-04    0.883141E+00
 101   -0.104110E-04    0.322793E+02  0.322530E-06 0.100000E-04    0.933862E+00
 102    0.129313E-06    0.288923E+02 -0.447571E-08 0.100000E-04    0.907639E+00
 103    0.258410E-05    0.284510E+02 -0.908265E-07 0.100000E-04    0.957503E+00
 104   -0.212994E-05    0.262912E+02  0.810133E-07 0.100000E-04    0.831610E+00
 105    0.575521E-05    0.233357E+02 -0.246627E-06 0.100000E-04    0.921629E+00
 106    0.548443E-05    0.213203E+02 -0.257240E-06 0.100000E-04    0.957712E+00
 107    0.195428E-04    0.198567E+02 -0.984191E-06 0.100000E-04    0.913443E+00
 108    0.224402E-04    0.164586E+02 -0.136343E-05 0.100000E-04    0.925512E+00
 109    0.587369E-05    0.139070E+02 -0.422354E-06 0.100000E-04    0.951742E+00
 110   -0.860779E-05    0.122428E+02  0.703088E-06 0.114481E-04    0.840732E+00
 111    0.134166E-06    0.100923E+02 -0.132938E-07 0.100000E-04    0.376671E+00
 112    0.337308E-01    0.901953E+01 -0.100000E-04 0.100000E-04    0.598538E+00
 113    0.924967E-01    0.574175E+01 -0.223110E-04 0.223110E-04    0.150557E+00
 114    0.913268E+00    0.317781E+01  0.100000E-04 0.100000E-04    0.754856E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2231103053E-04    0.2669147980    

 Beginning of optimization cycle  578.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996415385
 potential> RMS force:                                               0.0860324095   |gradient|=.9185747689    
 Eigenvalues of the Hessian matrix:
   746.56419    674.09340    630.60181    600.78919    586.38451    578.88170 
   565.02235    487.46371    460.64625    459.78807    441.68225    429.34635 
   421.92208    407.99085    396.35273    387.50866    370.01684    360.56334 
   349.36563    335.27947    329.27907    321.83703    319.10742    309.42616 
   300.83401    290.59933    278.95304    272.72280    268.53129    264.94444 
   263.81794    253.23320    241.56597    240.76187    233.99012    227.51025 
   217.11342    214.88807    213.26889    207.66211    203.01071    195.45619 
   194.83083    191.34902    182.93843    174.33657    172.33030    168.20782 
   163.23118    156.88050    154.89696    152.26042    146.68269    143.35890 
   138.07806    135.87316    130.29874    128.83373    126.89288    124.10581 
   120.00630    118.16375    116.84987    110.35604    106.83109    104.44675 
   102.85338     99.51440     96.09618     94.10970     91.98029     91.22506 
    88.43379     85.60030     80.83262     80.48235     77.96298     73.29097 
    72.57247     67.92586     64.76676     61.36288     59.84329     59.39766 
    58.13764     55.88070     52.44883     52.04035     50.22463     46.16996 
    43.32495     40.91330     37.86922     36.21752     32.27891     28.89260 
    28.45102     26.29150     23.33558     21.32054     19.85660     16.45853 
    13.90708     12.24285     10.09227      9.02110      5.74196      3.17751 
overlap for current and previous eigenvector    109 is         0.9999999881
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999738
overlap for current and previous eigenvector    112 is         0.9999999335
overlap for current and previous eigenvector    113 is         0.9999999249
overlap for current and previous eigenvector    114 is         0.9999999639
J1,K1,R1,R2,RAT=   7   7    0.3194460717E-02     1.996794758        0.9967947584    
FOB,PFOB,DIAG,PSTEP=   -0.1770180680E-06   -0.1775853605E-06     746.5641891        0.2378714655E-09
J1,K1,R1,R2,RAT=   8   8   -0.4499935408E-01     2.045003412        0.9550006459    
FOB,PFOB,DIAG,PSTEP=   -0.4225797075E-06   -0.4043827805E-06     674.0933973        0.5998901067E-09
J1,K1,R1,R2,RAT=   9   9   -0.4773826575E-01     2.047728442        0.9522617342    
FOB,PFOB,DIAG,PSTEP=   -0.7574902224E-06   -0.7229764128E-06     630.6018097        0.1146492054E-08
J1,K1,R1,R2,RAT=  10  10    -2.354722993         4.354730815         1.354722993    
FOB,PFOB,DIAG,PSTEP=   -0.3241654643E-07   -0.9662984243E-08     600.7891916        0.1608375548E-10
J1,K1,R1,R2,RAT=  11  11   -0.1177211533         2.117723251        0.8822788467    
FOB,PFOB,DIAG,PSTEP=    0.2668687035E-07    0.2387614587E-07     586.3845066       -0.4071751650E-10
J1,K1,R1,R2,RAT= 109 109   -0.4389804587E-01     2.043889364        0.9561019541    
FOB,PFOB,DIAG,PSTEP=    0.6131531736E-05    0.5873687226E-05     13.90707618       -0.4223542496E-06
J1,K1,R1,R2,RAT= 110 110   -0.1567541727         2.156751240        0.8432458273    
FOB,PFOB,DIAG,PSTEP=   -0.9957100067E-05   -0.8607790941E-05     12.24284538        0.7030884811E-06
J1,K1,R1,R2,RAT= 111 111     3.802766144        -1.802751419        0.8027514188    
FOB,PFOB,DIAG,PSTEP=   -0.3760312568E-06    0.1341656756E-06     10.09226974       -0.1329380717E-07
J1,K1,R1,R2,RAT= 112 112    0.3702064874         747.4505079        0.6297935126    
FOB,PFOB,DIAG,PSTEP=    0.3369743556E-01    0.3373083226E-01     9.021101346       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7978630055         1444.829137        0.2021369945    
FOB,PFOB,DIAG,PSTEP=    0.9259887396E-01    0.9249666057E-01     5.741955463       -0.2231103053E-04
J1,K1,R1,R2,RAT= 114 114    0.1998003662        -57483.39570        0.8001996338    
FOB,PFOB,DIAG,PSTEP=    0.9132740750        0.9132677263         3.177512009        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03370      0.09260      0.91327 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3829866225
 Log product of positive Hessian eigenvalues =          519.0695514775
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1775120087
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000035
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=        0.0000000072
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=        0.0000000160
 Unscaled step for mode   64=       -0.0000000006
 Unscaled step for mode   65=        0.0000000109
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=       -0.0000000160
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000127
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=       -0.0000000100
 Unscaled step for mode   73=        0.0000000018
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=       -0.0000000020
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=       -0.0000000167
 Unscaled step for mode   78=       -0.0000000097
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000058
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=       -0.0000000162
 Unscaled step for mode   83=        0.0000000040
 Unscaled step for mode   84=        0.0000000058
 Unscaled step for mode   85=        0.0000000295
 Unscaled step for mode   86=       -0.0000000092
 Unscaled step for mode   87=       -0.0000000141
 Unscaled step for mode   88=       -0.0000000220
 Unscaled step for mode   89=        0.0000000365
 Unscaled step for mode   90=       -0.0000000369
 Unscaled step for mode   91=        0.0000000515
 Unscaled step for mode   92=        0.0000000644
 Unscaled step for mode   93=        0.0000000633
 Unscaled step for mode   94=        0.0000000131
 Unscaled step for mode   95=       -0.0000000400
 Unscaled step for mode   96=       -0.0000000264
 Unscaled step for mode   97=       -0.0000000785
 Unscaled step for mode   98=        0.0000000164
 Unscaled step for mode   99=       -0.0000000545
 Unscaled step for mode  100=       -0.0000000452
 Unscaled step for mode  101=        0.0000003400
 Unscaled step for mode  102=        0.0000000030
 Unscaled step for mode  103=       -0.0000000942
 Unscaled step for mode  104=        0.0000000722
 Unscaled step for mode  105=       -0.0000002632
 Unscaled step for mode  106=       -0.0000002660
 Unscaled step for mode  107=       -0.0000010580
 Unscaled step for mode  108=       -0.0000014502
 Unscaled step for mode  109=       -0.0000004409
 Unscaled step for mode  110=        0.0000008133
 Unscaled step for mode  111=        0.0000000373
 Unscaled step for mode  112=       -0.0037353494
 Unscaled step for mode  113=       -0.0161225222
 Unscaled step for mode  114=        0.2669377850
 Largest modulus ratio of non-zero e/values=           234.9524367    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.121463E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.160787E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.167799E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.127914E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.442702E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.355292E-14    0.974293E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177018E-06    0.746564E+03  0.237110E-09 0.100000E-04    0.996795E+00
   8   -0.422580E-06    0.674093E+03  0.626886E-09 0.100000E-04    0.955001E+00
   9   -0.757490E-06    0.630602E+03  0.120122E-08 0.100000E-04    0.952262E+00
  10   -0.324165E-07    0.600789E+03  0.539566E-10 0.100000E-04    0.135472E+01
  11    0.266869E-07    0.586385E+03 -0.455109E-10 0.100000E-04    0.882279E+00
  12   -0.108367E-05    0.578882E+03  0.187201E-08 0.100000E-04    0.948228E+00
  13    0.522771E-07    0.565022E+03 -0.925223E-10 0.100000E-04    0.947279E+00
  14    0.459708E-06    0.487464E+03 -0.943060E-09 0.100000E-04    0.938354E+00
  15   -0.448856E-06    0.460646E+03  0.974404E-09 0.100000E-04    0.945724E+00
  16   -0.125184E-06    0.459788E+03  0.272264E-09 0.100000E-04    0.784665E+00
  17   -0.594629E-06    0.441682E+03  0.134628E-08 0.100000E-04    0.910694E+00
  18   -0.441188E-06    0.429346E+03  0.102758E-08 0.100000E-04    0.940817E+00
  19   -0.140312E-06    0.421922E+03  0.332554E-09 0.100000E-04    0.815133E+00
  20   -0.402188E-06    0.407991E+03  0.985776E-09 0.100000E-04    0.929532E+00
  21   -0.448486E-06    0.396353E+03  0.113153E-08 0.100000E-04    0.926359E+00
  22   -0.668323E-06    0.387509E+03  0.172467E-08 0.100000E-04    0.992099E+00
  23    0.855310E-06    0.370017E+03 -0.231154E-08 0.100000E-04    0.929783E+00
  24   -0.455273E-06    0.360563E+03  0.126267E-08 0.100000E-04    0.979270E+00
  25   -0.691333E-07    0.349366E+03  0.197882E-09 0.100000E-04    0.675713E+00
  26   -0.748244E-07    0.335279E+03  0.223170E-09 0.100000E-04    0.619806E+00
  27    0.373899E-06    0.329279E+03 -0.113551E-08 0.100000E-04    0.892773E+00
  28   -0.395662E-06    0.321837E+03  0.122939E-08 0.100000E-04    0.903333E+00
  29   -0.607951E-07    0.319107E+03  0.190516E-09 0.100000E-04    0.109066E+02
  30   -0.140490E-05    0.309426E+03  0.454033E-08 0.100000E-04    0.967878E+00
  31   -0.106805E-05    0.300834E+03  0.355031E-08 0.100000E-04    0.960413E+00
  32   -0.127626E-05    0.290599E+03  0.439181E-08 0.100000E-04    0.973372E+00
  33   -0.140846E-07    0.278953E+03  0.504909E-10 0.100000E-04    0.553836E+00
  34   -0.608962E-07    0.272723E+03  0.223290E-09 0.100000E-04    0.602456E+00
  35    0.108373E-05    0.268531E+03 -0.403575E-08 0.100000E-04    0.974171E+00
  36    0.131958E-05    0.264944E+03 -0.498058E-08 0.100000E-04    0.984391E+00
  37   -0.506784E-06    0.263818E+03  0.192096E-08 0.100000E-04    0.898970E+00
  38   -0.156434E-06    0.253233E+03  0.617747E-09 0.100000E-04    0.987298E+00
  39   -0.344057E-06    0.241566E+03  0.142428E-08 0.100000E-04    0.914016E+00
  40   -0.134535E-05    0.240762E+03  0.558787E-08 0.100000E-04    0.987763E+00
  41   -0.104939E-05    0.233990E+03  0.448475E-08 0.100000E-04    0.995969E+00
  42   -0.177152E-05    0.227510E+03  0.778654E-08 0.100000E-04    0.969815E+00
  43   -0.364051E-07    0.217113E+03  0.167678E-09 0.100000E-04    0.948309E+00
  44   -0.207842E-05    0.214888E+03  0.967212E-08 0.100000E-04    0.971634E+00
  45    0.706449E-06    0.213269E+03 -0.331248E-08 0.100000E-04    0.985469E+00
  46    0.113124E-05    0.207662E+03 -0.544749E-08 0.100000E-04    0.983547E+00
  47   -0.796573E-06    0.203011E+03  0.392380E-08 0.100000E-04    0.968923E+00
  48   -0.122143E-05    0.195456E+03  0.624914E-08 0.100000E-04    0.935095E+00
  49    0.983103E-06    0.194831E+03 -0.504593E-08 0.100000E-04    0.953820E+00
  50    0.137076E-05    0.191349E+03 -0.716364E-08 0.100000E-04    0.885172E+00
  51    0.228833E-06    0.182938E+03 -0.125087E-08 0.100000E-04    0.865160E+00
  52    0.601573E-06    0.174337E+03 -0.345064E-08 0.100000E-04    0.935392E+00
  53    0.866916E-07    0.172330E+03 -0.503055E-09 0.100000E-04    0.806976E+00
  54   -0.229451E-06    0.168208E+03  0.136409E-08 0.100000E-04    0.950391E+00
  55    0.881927E-06    0.163231E+03 -0.540293E-08 0.100000E-04    0.995197E+00
  56    0.140610E-05    0.156880E+03 -0.896290E-08 0.100000E-04    0.974671E+00
  57   -0.392249E-06    0.154897E+03  0.253232E-08 0.100000E-04    0.824071E+00
  58    0.930406E-06    0.152260E+03 -0.611062E-08 0.100000E-04    0.998540E+00
  59    0.675619E-06    0.146683E+03 -0.460599E-08 0.100000E-04    0.997980E+00
  60   -0.215491E-06    0.143359E+03  0.150316E-08 0.100000E-04    0.688966E+00
  61   -0.989080E-06    0.138078E+03  0.716320E-08 0.100000E-04    0.811985E+00
  62   -0.973948E-06    0.135873E+03  0.716806E-08 0.100000E-04    0.974891E+00
  63   -0.208113E-05    0.130299E+03  0.159720E-07 0.100000E-04    0.922128E+00
  64    0.825053E-07    0.128834E+03 -0.640401E-09 0.100000E-04    0.152548E+02
  65   -0.138367E-05    0.126893E+03  0.109042E-07 0.100000E-04    0.887514E+00
  66    0.641201E-06    0.124106E+03 -0.516657E-08 0.100000E-04    0.881562E+00
  67    0.192413E-05    0.120006E+03 -0.160336E-07 0.100000E-04    0.964019E+00
  68    0.463476E-06    0.118164E+03 -0.392232E-08 0.100000E-04    0.934336E+00
  69    0.699803E-07    0.116850E+03 -0.598891E-09 0.100000E-04    0.219855E+01
  70    0.140601E-05    0.110356E+03 -0.127407E-07 0.100000E-04    0.948805E+00
  71   -0.711125E-06    0.106831E+03  0.665653E-08 0.100000E-04    0.924344E+00
  72    0.104677E-05    0.104447E+03 -0.100220E-07 0.100000E-04    0.898203E+00
  73   -0.182100E-06    0.102853E+03  0.177048E-08 0.100000E-04    0.720690E+00
  74    0.575947E-07    0.995144E+02 -0.578758E-09 0.100000E-04    0.589815E+00
  75    0.188362E-06    0.960962E+02 -0.196014E-08 0.100000E-04    0.616204E+00
  76    0.243618E-06    0.941097E+02 -0.258866E-08 0.100000E-04    0.869921E+00
  77    0.153369E-05    0.919803E+02 -0.166741E-07 0.100000E-04    0.966477E+00
  78    0.886027E-06    0.912251E+02 -0.971254E-08 0.100000E-04    0.974975E+00
  79    0.700186E-06    0.884338E+02 -0.791763E-08 0.100000E-04    0.988875E+00
  80    0.495699E-06    0.856003E+02 -0.579085E-08 0.100000E-04    0.915055E+00
  81   -0.131498E-05    0.808326E+02  0.162679E-07 0.100000E-04    0.993150E+00
  82    0.130211E-05    0.804823E+02 -0.161788E-07 0.100000E-04    0.939043E+00
  83   -0.310337E-06    0.779630E+02  0.398057E-08 0.100000E-04    0.875920E+00
  84   -0.426012E-06    0.732910E+02  0.581262E-08 0.100000E-04    0.226061E+00
  85   -0.214418E-05    0.725725E+02  0.295453E-07 0.100000E-04    0.890898E+00
  86    0.625432E-06    0.679259E+02 -0.920756E-08 0.100000E-04    0.846733E+00
  87    0.915556E-06    0.647668E+02 -0.141362E-07 0.100000E-04    0.773919E+00
  88    0.135208E-05    0.613629E+02 -0.220342E-07 0.100000E-04    0.977030E+00
  89   -0.218599E-05    0.598433E+02  0.365285E-07 0.100000E-04    0.946615E+00
  90    0.218929E-05    0.593977E+02 -0.368582E-07 0.100000E-04    0.980107E+00
  91   -0.299682E-05    0.581376E+02  0.515470E-07 0.100000E-04    0.928795E+00
  92   -0.359830E-05    0.558807E+02  0.643926E-07 0.100000E-04    0.953913E+00
  93   -0.331861E-05    0.524488E+02  0.632733E-07 0.100000E-04    0.985784E+00
  94   -0.680371E-06    0.520404E+02  0.130739E-07 0.100000E-04    0.883650E+00
  95    0.201128E-05    0.502246E+02 -0.400457E-07 0.100000E-04    0.878778E+00
  96    0.121800E-05    0.461700E+02 -0.263808E-07 0.100000E-04    0.928793E+00
  97    0.340171E-05    0.433249E+02 -0.785162E-07 0.100000E-04    0.887888E+00
  98   -0.671239E-06    0.409133E+02  0.164064E-07 0.100000E-04    0.502265E+00
  99    0.206351E-05    0.378692E+02 -0.544904E-07 0.100000E-04    0.781960E+00
 100    0.163715E-05    0.362175E+02 -0.452033E-07 0.100000E-04    0.891416E+00
 101   -0.109739E-04    0.322789E+02  0.339970E-06 0.100000E-04    0.945939E+00
 102   -0.874115E-07    0.288926E+02  0.302540E-08 0.100000E-04    0.675948E+00
 103    0.267949E-05    0.284510E+02 -0.941791E-07 0.100000E-04    0.963086E+00
 104   -0.189939E-05    0.262915E+02  0.722433E-07 0.100000E-04    0.891736E+00
 105    0.614199E-05    0.233356E+02 -0.263203E-06 0.100000E-04    0.932796E+00
 106    0.567043E-05    0.213205E+02 -0.265961E-06 0.100000E-04    0.966087E+00
 107    0.210086E-04    0.198566E+02 -0.105802E-05 0.100000E-04    0.924993E+00
 108    0.238677E-04    0.164585E+02 -0.145017E-05 0.100000E-04    0.936387E+00
 109    0.613153E-05    0.139071E+02 -0.440893E-06 0.100000E-04    0.956102E+00
 110   -0.995710E-05    0.122428E+02  0.813300E-06 0.103136E-04    0.843246E+00
 111   -0.376031E-06    0.100923E+02  0.372593E-07 0.100000E-04    0.802751E+00
 112    0.336974E-01    0.902110E+01 -0.100000E-04 0.100000E-04    0.629794E+00
 113    0.925989E-01    0.574196E+01 -0.201000E-04 0.201000E-04    0.202137E+00
 114    0.913274E+00    0.317751E+01  0.100000E-04 0.100000E-04    0.800200E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2010002751E-04    0.2669377850    

 Beginning of optimization cycle  579.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996346022
 potential> RMS force:                                               0.0860339689   |gradient|=.9185914181    
 Eigenvalues of the Hessian matrix:
   746.56809    674.09226    630.60478    600.78683    586.38397    578.88198 
   565.01852    487.46345    460.64493    459.78752    441.68167    429.34752 
   421.92147    407.98926    396.35219    387.50722    370.01731    360.56348 
   349.36484    335.28007    329.27993    321.83684    319.10795    309.42502 
   300.83336    290.59938    278.95443    272.72324    268.53146    264.94476 
   263.81853    253.23255    241.56615    240.76231    233.99085    227.51050 
   217.11405    214.88822    213.26861    207.66258    203.01030    195.45538 
   194.83116    191.34949    182.93911    174.33727    172.33052    168.20807 
   163.23086    156.88027    154.89745    152.26025    146.68209    143.35853 
   138.07856    135.87316    130.29850    128.83394    126.89309    124.10474 
   120.00647    118.16389    116.84948    110.35627    106.83093    104.44700 
   102.85346     99.51434     96.09600     94.10950     91.97986     91.22526 
    88.43328     85.60059     80.83269     80.48300     77.96277     73.29079 
    72.57194     67.92561     64.76631     61.36239     59.84307     59.39778 
    58.13761     55.88051     52.44874     52.04000     50.22521     46.16956 
    43.32550     40.91342     37.86920     36.21725     32.27853     28.89293 
    28.45108     26.29176     23.33548     21.32079     19.85649     16.45844 
    13.90714     12.24286     10.09219      9.02257      5.74213      3.17723 
overlap for current and previous eigenvector    109 is         0.9999999898
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999782
overlap for current and previous eigenvector    112 is         0.9999999426
overlap for current and previous eigenvector    113 is         0.9999999341
overlap for current and previous eigenvector    114 is         0.9999999688
J1,K1,R1,R2,RAT=   7   7   -0.1008520123E-01     2.010074759        0.9899147988    
FOB,PFOB,DIAG,PSTEP=   -0.1788033401E-06   -0.1770180680E-06     746.5680870        0.2371103123E-09
J1,K1,R1,R2,RAT=   8   8    0.5151892694E-01     1.948484448        0.9484810731    
FOB,PFOB,DIAG,PSTEP=   -0.4008088912E-06   -0.4225797075E-06     674.0922600        0.6268859912E-09
J1,K1,R1,R2,RAT=   9   9    0.5527037795E-01     1.944720212        0.9447202118    
FOB,PFOB,DIAG,PSTEP=   -0.7156232546E-06   -0.7574902224E-06     630.6047768        0.1201217965E-08
J1,K1,R1,R2,RAT=  10  10    0.8108515591         1.189156287        0.1891484409    
FOB,PFOB,DIAG,PSTEP=   -0.6131642331E-08   -0.3241654643E-07     600.7868347        0.5395660722E-10
J1,K1,R1,R2,RAT=  11  11    0.1687386872         1.831263133        0.8312613128    
FOB,PFOB,DIAG,PSTEP=    0.2218376698E-07    0.2668687035E-07     586.3839730       -0.4551087222E-10
J1,K1,R1,R2,RAT= 109 109    0.4752674358E-01     1.952464752        0.9524647522    
FOB,PFOB,DIAG,PSTEP=    0.5840118761E-05    0.6131531736E-05     13.90713531       -0.4408929424E-06
J1,K1,R1,R2,RAT= 110 110    0.1608759346         1.839121006        0.8391210056    
FOB,PFOB,DIAG,PSTEP=   -0.8355239837E-05   -0.9957100067E-05     12.24286411        0.8132995035E-06
J1,K1,R1,R2,RAT= 111 111     1.290045336        0.7099696563        0.2900303437    
FOB,PFOB,DIAG,PSTEP=    0.1090624759E-06   -0.3760312568E-06     10.09219409        0.3725933477E-07
J1,K1,R1,R2,RAT= 112 112    0.4081372884         746.5503899        0.5918627116    
FOB,PFOB,DIAG,PSTEP=    0.3366061108E-01    0.3369743556E-01     9.022572027       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8541387512         1605.450094        0.1458612488    
FOB,PFOB,DIAG,PSTEP=    0.9269745615E-01    0.9259887396E-01     5.742134439       -0.2010002751E-04
J1,K1,R1,R2,RAT= 114 114    0.2550402225        -57488.96438        0.7449597775    
FOB,PFOB,DIAG,PSTEP=    0.9132821782        0.9132740750         3.177229357        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001      0.00000      0.03366      0.09270      0.91328 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3829644234
 Log product of positive Hessian eigenvalues =          519.0696296390
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1772293568
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000004
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=       -0.0000000000
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000032
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000058
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000146
 Unscaled step for mode   64=        0.0000000002
 Unscaled step for mode   65=        0.0000000096
 Unscaled step for mode   66=       -0.0000000045
 Unscaled step for mode   67=       -0.0000000153
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=        0.0000000061
 Unscaled step for mode   72=       -0.0000000114
 Unscaled step for mode   73=        0.0000000013
 Unscaled step for mode   74=       -0.0000000010
 Unscaled step for mode   75=       -0.0000000034
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=       -0.0000000173
 Unscaled step for mode   78=        0.0000000094
 Unscaled step for mode   79=       -0.0000000078
 Unscaled step for mode   80=       -0.0000000053
 Unscaled step for mode   81=        0.0000000161
 Unscaled step for mode   82=       -0.0000000151
 Unscaled step for mode   83=        0.0000000046
 Unscaled step for mode   84=        0.0000000028
 Unscaled step for mode   85=        0.0000000262
 Unscaled step for mode   86=       -0.0000000077
 Unscaled step for mode   87=       -0.0000000109
 Unscaled step for mode   88=       -0.0000000225
 Unscaled step for mode   89=        0.0000000344
 Unscaled step for mode   90=       -0.0000000359
 Unscaled step for mode   91=        0.0000000470
 Unscaled step for mode   92=        0.0000000608
 Unscaled step for mode   93=        0.0000000619
 Unscaled step for mode   94=        0.0000000150
 Unscaled step for mode   95=       -0.0000000351
 Unscaled step for mode   96=       -0.0000000240
 Unscaled step for mode   97=       -0.0000000690
 Unscaled step for mode   98=        0.0000000102
 Unscaled step for mode   99=       -0.0000000430
 Unscaled step for mode  100=       -0.0000000399
 Unscaled step for mode  101=        0.0000003175
 Unscaled step for mode  102=       -0.0000000062
 Unscaled step for mode  103=       -0.0000000902
 Unscaled step for mode  104=        0.0000000838
 Unscaled step for mode  105=       -0.0000002426
 Unscaled step for mode  106=       -0.0000002549
 Unscaled step for mode  107=       -0.0000009664
 Unscaled step for mode  108=       -0.0000013424
 Unscaled step for mode  109=       -0.0000004199
 Unscaled step for mode  110=        0.0000006825
 Unscaled step for mode  111=       -0.0000000108
 Unscaled step for mode  112=       -0.0037306593
 Unscaled step for mode  113=       -0.0161391747
 Unscaled step for mode  114=        0.2669604262
 Largest modulus ratio of non-zero e/values=           234.9745653    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.893491E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.179538E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.305609E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.287964E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.513688E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.413433E-14    0.974293E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.178803E-06    0.746568E+03  0.239500E-09 0.100000E-04    0.989915E+00
   8   -0.400809E-06    0.674092E+03  0.594591E-09 0.100000E-04    0.948481E+00
   9   -0.715623E-06    0.630605E+03  0.113482E-08 0.100000E-04    0.944720E+00
  10   -0.613164E-08    0.600787E+03  0.102060E-10 0.109000E-04    0.189148E+00
  11    0.221838E-07    0.586384E+03 -0.378315E-10 0.100000E-04    0.831261E+00
  12   -0.102022E-05    0.578882E+03  0.176239E-08 0.100000E-04    0.941443E+00
  13    0.554639E-07    0.565019E+03 -0.981630E-10 0.100000E-04    0.939041E+00
  14    0.428868E-06    0.487463E+03 -0.879795E-09 0.100000E-04    0.932914E+00
  15   -0.420863E-06    0.460645E+03  0.913639E-09 0.100000E-04    0.937636E+00
  16   -0.987857E-07    0.459788E+03  0.214851E-09 0.100000E-04    0.789125E+00
  17   -0.537506E-06    0.441682E+03  0.121695E-08 0.100000E-04    0.903935E+00
  18   -0.411033E-06    0.429348E+03  0.957343E-09 0.100000E-04    0.931645E+00
  19   -0.177630E-06    0.421921E+03  0.421003E-09 0.100000E-04    0.734032E+00
  20   -0.370458E-06    0.407989E+03  0.908010E-09 0.100000E-04    0.921108E+00
  21   -0.411805E-06    0.396352E+03  0.103899E-08 0.100000E-04    0.918212E+00
  22   -0.660217E-06    0.387507E+03  0.170375E-08 0.100000E-04    0.987870E+00
  23    0.788696E-06    0.370017E+03 -0.213151E-08 0.100000E-04    0.922115E+00
  24   -0.443824E-06    0.360563E+03  0.123092E-08 0.100000E-04    0.974852E+00
  25   -0.107410E-06    0.349365E+03  0.307444E-09 0.100000E-04    0.446333E+00
  26   -0.131031E-06    0.335280E+03  0.390809E-09 0.100000E-04    0.248828E+00
  27    0.329498E-06    0.329280E+03 -0.100066E-08 0.100000E-04    0.881243E+00
  28   -0.352513E-06    0.321837E+03  0.109532E-08 0.100000E-04    0.890944E+00
  29    0.101932E-07    0.319108E+03 -0.319427E-10 0.109000E-04    0.167662E+00
  30   -0.134582E-05    0.309425E+03  0.434941E-08 0.100000E-04    0.957947E+00
  31   -0.101837E-05    0.300833E+03  0.338516E-08 0.100000E-04    0.953480E+00
  32   -0.123369E-05    0.290599E+03  0.424531E-08 0.100000E-04    0.966642E+00
  33    0.336519E-07    0.278954E+03 -0.120636E-09 0.100000E-04    0.389265E+00
  34   -0.110449E-06    0.272723E+03  0.404985E-09 0.109000E-04    0.186278E+00
  35    0.104741E-05    0.268531E+03 -0.390052E-08 0.100000E-04    0.966490E+00
  36    0.129320E-05    0.264945E+03 -0.488101E-08 0.100000E-04    0.980008E+00
  37   -0.452032E-06    0.263819E+03  0.171342E-08 0.100000E-04    0.891957E+00
  38   -0.158473E-06    0.253233E+03  0.625799E-09 0.100000E-04    0.986968E+00
  39   -0.385436E-06    0.241566E+03  0.159557E-08 0.100000E-04    0.879732E+00
  40   -0.132360E-05    0.240762E+03  0.549752E-08 0.100000E-04    0.983830E+00
  41   -0.105477E-05    0.233991E+03  0.450774E-08 0.100000E-04    0.994870E+00
  42   -0.170258E-05    0.227511E+03  0.748354E-08 0.100000E-04    0.961086E+00
  43   -0.324651E-07    0.217114E+03  0.149530E-09 0.100000E-04    0.891768E+00
  44   -0.200732E-05    0.214888E+03  0.934125E-08 0.100000E-04    0.965790E+00
  45    0.716365E-06    0.213269E+03 -0.335898E-08 0.100000E-04    0.985963E+00
  46    0.111073E-05    0.207663E+03 -0.534872E-08 0.100000E-04    0.981866E+00
  47   -0.768154E-06    0.203010E+03  0.378382E-08 0.100000E-04    0.964323E+00
  48   -0.112809E-05    0.195455E+03  0.577160E-08 0.100000E-04    0.923579E+00
  49    0.932187E-06    0.194831E+03 -0.478459E-08 0.100000E-04    0.948205E+00
  50    0.120010E-05    0.191349E+03 -0.627176E-08 0.100000E-04    0.875497E+00
  51    0.195627E-06    0.182939E+03 -0.106936E-08 0.100000E-04    0.854885E+00
  52    0.555887E-06    0.174337E+03 -0.318857E-08 0.100000E-04    0.924048E+00
  53    0.112316E-06    0.172331E+03 -0.651746E-09 0.100000E-04    0.704423E+00
  54   -0.242644E-06    0.168208E+03  0.144253E-08 0.100000E-04    0.942500E+00
  55    0.881766E-06    0.163231E+03 -0.540195E-08 0.100000E-04    0.999817E+00
  56    0.136396E-05    0.156880E+03 -0.869429E-08 0.100000E-04    0.970029E+00
  57   -0.324896E-06    0.154897E+03  0.209749E-08 0.100000E-04    0.828285E+00
  58    0.928272E-06    0.152260E+03 -0.609662E-08 0.100000E-04    0.997706E+00
  59    0.671335E-06    0.146682E+03 -0.457680E-08 0.100000E-04    0.993658E+00
  60   -0.156754E-06    0.143359E+03  0.109344E-08 0.100000E-04    0.727425E+00
  61   -0.802967E-06    0.138079E+03  0.581529E-08 0.100000E-04    0.811826E+00
  62   -0.942792E-06    0.135873E+03  0.693876E-08 0.100000E-04    0.968011E+00
  63   -0.189776E-05    0.130299E+03  0.145647E-07 0.100000E-04    0.911888E+00
  64   -0.233685E-07    0.128834E+03  0.181384E-09 0.100000E-04    0.283234E+00
  65   -0.121891E-05    0.126893E+03  0.960577E-08 0.100000E-04    0.880918E+00
  66    0.562805E-06    0.124105E+03 -0.453492E-08 0.100000E-04    0.877734E+00
  67    0.184149E-05    0.120006E+03 -0.153449E-07 0.100000E-04    0.957044E+00
  68    0.429212E-06    0.118164E+03 -0.363234E-08 0.100000E-04    0.926069E+00
  69    0.111937E-07    0.116849E+03 -0.957960E-10 0.109000E-04    0.159952E+00
  70    0.132294E-05    0.110356E+03 -0.119879E-07 0.100000E-04    0.940912E+00
  71   -0.651693E-06    0.106831E+03  0.610023E-08 0.100000E-04    0.916426E+00
  72    0.118787E-05    0.104447E+03 -0.113730E-07 0.100000E-04    0.865199E+00
  73   -0.134545E-06    0.102853E+03  0.130812E-08 0.100000E-04    0.738848E+00
  74    0.102540E-06    0.995143E+02 -0.103041E-08 0.100000E-04    0.219620E+00
  75    0.324002E-06    0.960960E+02 -0.337165E-08 0.100000E-04    0.279891E+00
  76    0.208599E-06    0.941095E+02 -0.221656E-08 0.100000E-04    0.856255E+00
  77    0.159312E-05    0.919799E+02 -0.173203E-07 0.100000E-04    0.961249E+00
  78   -0.855752E-06    0.912253E+02  0.938064E-08 0.100000E-04    0.965826E+00
  79    0.687623E-06    0.884333E+02 -0.777561E-08 0.100000E-04    0.982057E+00
  80    0.451109E-06    0.856006E+02 -0.526993E-08 0.100000E-04    0.910040E+00
  81   -0.130006E-05    0.808327E+02  0.160833E-07 0.100000E-04    0.988649E+00
  82    0.121151E-05    0.804830E+02 -0.150530E-07 0.100000E-04    0.930407E+00
  83   -0.361541E-06    0.779628E+02  0.463735E-08 0.100000E-04    0.835006E+00
  84   -0.204992E-06    0.732908E+02  0.279697E-08 0.100000E-04    0.481187E+00
  85   -0.189901E-05    0.725719E+02  0.261673E-07 0.100000E-04    0.885659E+00
  86    0.524322E-06    0.679256E+02 -0.771906E-08 0.100000E-04    0.838335E+00
  87    0.708820E-06    0.647663E+02 -0.109443E-07 0.100000E-04    0.774195E+00
  88    0.138128E-05    0.613624E+02 -0.225102E-07 0.100000E-04    0.978407E+00
  89   -0.205610E-05    0.598431E+02  0.343582E-07 0.100000E-04    0.940582E+00
  90    0.213300E-05    0.593978E+02 -0.359104E-07 0.100000E-04    0.974283E+00
  91   -0.273335E-05    0.581376E+02  0.470152E-07 0.100000E-04    0.912083E+00
  92   -0.339686E-05    0.558805E+02  0.607879E-07 0.100000E-04    0.944017E+00
  93   -0.324870E-05    0.524487E+02  0.619406E-07 0.100000E-04    0.978935E+00
  94   -0.778866E-06    0.520400E+02  0.149667E-07 0.100000E-04    0.855233E+00
  95    0.176197E-05    0.502252E+02 -0.350813E-07 0.100000E-04    0.876022E+00
  96    0.110660E-05    0.461696E+02 -0.239681E-07 0.100000E-04    0.908533E+00
  97    0.298904E-05    0.433255E+02 -0.689904E-07 0.100000E-04    0.878664E+00
  98   -0.417741E-06    0.409134E+02  0.102104E-07 0.100000E-04    0.622339E+00
  99    0.162931E-05    0.378692E+02 -0.430247E-07 0.100000E-04    0.789583E+00
 100    0.144524E-05    0.362172E+02 -0.399047E-07 0.100000E-04    0.882776E+00
 101   -0.102499E-04    0.322785E+02  0.317545E-06 0.100000E-04    0.934025E+00
 102    0.180004E-06    0.288929E+02 -0.623004E-08 0.109000E-04    0.592592E-01
 103    0.256705E-05    0.284511E+02 -0.902267E-07 0.100000E-04    0.958031E+00
 104   -0.220247E-05    0.262918E+02  0.837704E-07 0.100000E-04    0.840431E+00
 105    0.566104E-05    0.233355E+02 -0.242594E-06 0.100000E-04    0.921696E+00
 106    0.543380E-05    0.213208E+02 -0.254859E-06 0.100000E-04    0.958246E+00
 107    0.191890E-04    0.198565E+02 -0.966385E-06 0.100000E-04    0.913387E+00
 108    0.220933E-04    0.164584E+02 -0.134237E-05 0.100000E-04    0.925658E+00
 109    0.584012E-05    0.139071E+02 -0.419937E-06 0.100000E-04    0.952465E+00
 110   -0.835524E-05    0.122429E+02  0.682458E-06 0.100000E-04    0.839121E+00
 111    0.109062E-06    0.100922E+02 -0.108066E-07 0.100000E-04    0.290030E+00
 112    0.336606E-01    0.902257E+01 -0.100000E-04 0.100000E-04    0.591863E+00
 113    0.926975E-01    0.574213E+01 -0.219090E-04 0.219090E-04    0.145861E+00
 114    0.913282E+00    0.317723E+01  0.100000E-04 0.100000E-04    0.744960E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2190902998E-04    0.2669604262    

 Beginning of optimization cycle  580.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996278350
 potential> RMS force:                                               0.0860354289   |gradient|=.9186070068    
 Eigenvalues of the Hessian matrix:
   746.57207    674.09092    630.60784    600.78449    586.38337    578.88228 
   565.01446    487.46310    460.64356    459.78696    441.68105    429.34884 
   421.92084    407.98757    396.35160    387.50574    370.01781    360.56366 
   349.36409    335.28072    329.28085    321.83660    319.10862    309.42384 
   300.83275    290.59945    278.95593    272.72370    268.53170    264.94509 
   263.81920    253.23193    241.56641    240.76278    233.99165    227.51083 
   217.11476    214.88837    213.26832    207.66309    203.00987    195.45455 
   194.83153    191.34997    182.93985    174.33801    172.33076    168.20834 
   163.23052    156.88004    154.89797    152.26006    146.68146    143.35813 
   138.07909    135.87317    130.29823    128.83416    126.89330    124.10360 
   120.00665    118.16403    116.84905    110.35652    106.83075    104.44724 
   102.85353     99.51427     96.09580     94.10928     91.97945     91.22549 
    88.43276     85.60090     80.83277     80.48370     77.96255     73.29058 
    72.57136     67.92532     64.76584     61.36190     59.84285     59.39788 
    58.13756     55.88028     52.44863     52.03962     50.22581     46.16912 
    43.32608     40.91353     37.86915     36.21690     32.27814     28.89326 
    28.45114     26.29203     23.33538     21.32103     19.85639     16.45833 
    13.90720     12.24288     10.09212      9.02413      5.74233      3.17694 
overlap for current and previous eigenvector    109 is         0.9999999884
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999743
overlap for current and previous eigenvector    112 is         0.9999999350
overlap for current and previous eigenvector    113 is         0.9999999270
overlap for current and previous eigenvector    114 is         0.9999999650
J1,K1,R1,R2,RAT=   7   7    0.3198419736E-02     1.996790902        0.9967909022    
FOB,PFOB,DIAG,PSTEP=   -0.1782314490E-06   -0.1788033401E-06     746.5720730        0.2395003795E-09
J1,K1,R1,R2,RAT=   8   8   -0.4459321428E-01     2.044597183        0.9554067857    
FOB,PFOB,DIAG,PSTEP=   -0.4186822125E-06   -0.4008088912E-06     674.0909222        0.5945905553E-09
J1,K1,R1,R2,RAT=   9   9   -0.4731119043E-01     2.047301467        0.9526888096    
FOB,PFOB,DIAG,PSTEP=   -0.7494804072E-06   -0.7156232546E-06     630.6078426        0.1134820542E-08
J1,K1,R1,R2,RAT=  10  10    -3.649096137         5.649103934         2.649096137    
FOB,PFOB,DIAG,PSTEP=   -0.2850650744E-07   -0.6131642331E-08     600.7844925        0.1020601980E-10
J1,K1,R1,R2,RAT=  11  11   -0.1230495719         2.123051616        0.8769504281    
FOB,PFOB,DIAG,PSTEP=    0.2491346722E-07    0.2218376698E-07     586.3833737       -0.3783146880E-10
J1,K1,R1,R2,RAT= 109 109   -0.4320197223E-01     2.043193287        0.9567980278    
FOB,PFOB,DIAG,PSTEP=    0.6092424505E-05    0.5840118761E-05     13.90719570       -0.4199368619E-06
J1,K1,R1,R2,RAT= 110 110   -0.1586295958         2.158626563        0.8413704042    
FOB,PFOB,DIAG,PSTEP=   -0.9680630165E-05   -0.8355239837E-05     12.24288267        0.6824579414E-06
J1,K1,R1,R2,RAT= 111 111     4.617980952        -2.617966336         1.617966336    
FOB,PFOB,DIAG,PSTEP=   -0.3945822795E-06    0.1090624759E-06     10.09212033       -0.1080661697E-07
J1,K1,R1,R2,RAT= 112 112    0.3774794830         745.6362813        0.6225205170    
FOB,PFOB,DIAG,PSTEP=    0.3362654686E-01    0.3366061108E-01     9.024126056       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8020963835         1474.425361        0.1979036165    
FOB,PFOB,DIAG,PSTEP=    0.9279836700E-01    0.9269745615E-01     5.742330609       -0.2190902998E-04
J1,K1,R1,R2,RAT= 114 114    0.2104639932        -57494.71661        0.7895360068    
FOB,PFOB,DIAG,PSTEP=    0.9132888645        0.9132821782         3.176937204        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03363      0.09280      0.91329 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3829435834
 Log product of positive Hessian eigenvalues =          519.0697131421
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1769372044
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000034
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000069
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000157
 Unscaled step for mode   64=       -0.0000000005
 Unscaled step for mode   65=        0.0000000107
 Unscaled step for mode   66=       -0.0000000051
 Unscaled step for mode   67=       -0.0000000159
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000126
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=       -0.0000000103
 Unscaled step for mode   73=        0.0000000017
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=       -0.0000000022
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=        0.0000000168
 Unscaled step for mode   78=        0.0000000096
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000057
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=       -0.0000000160
 Unscaled step for mode   83=        0.0000000041
 Unscaled step for mode   84=        0.0000000053
 Unscaled step for mode   85=        0.0000000290
 Unscaled step for mode   86=       -0.0000000089
 Unscaled step for mode   87=       -0.0000000135
 Unscaled step for mode   88=       -0.0000000220
 Unscaled step for mode   89=        0.0000000362
 Unscaled step for mode   90=       -0.0000000366
 Unscaled step for mode   91=        0.0000000504
 Unscaled step for mode   92=        0.0000000636
 Unscaled step for mode   93=        0.0000000628
 Unscaled step for mode   94=        0.0000000133
 Unscaled step for mode   95=       -0.0000000393
 Unscaled step for mode   96=       -0.0000000257
 Unscaled step for mode   97=       -0.0000000768
 Unscaled step for mode   98=        0.0000000156
 Unscaled step for mode   99=       -0.0000000526
 Unscaled step for mode  100=       -0.0000000443
 Unscaled step for mode  101=        0.0000003347
 Unscaled step for mode  102=        0.0000000011
 Unscaled step for mode  103=       -0.0000000935
 Unscaled step for mode  104=        0.0000000751
 Unscaled step for mode  105=       -0.0000002589
 Unscaled step for mode  106=       -0.0000002634
 Unscaled step for mode  107=       -0.0000010389
 Unscaled step for mode  108=       -0.0000014276
 Unscaled step for mode  109=       -0.0000004381
 Unscaled step for mode  110=        0.0000007907
 Unscaled step for mode  111=        0.0000000391
 Unscaled step for mode  112=       -0.0037262423
 Unscaled step for mode  113=       -0.0161561831
 Unscaled step for mode  114=        0.2669834037
 Largest modulus ratio of non-zero e/values=           234.9974283    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.115229E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.127123E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.282624E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.480327E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.128261E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.377226E-14    0.974293E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.178231E-06    0.746572E+03  0.238733E-09 0.100000E-04    0.996791E+00
   8   -0.418682E-06    0.674091E+03  0.621106E-09 0.100000E-04    0.955407E+00
   9   -0.749480E-06    0.630608E+03  0.118850E-08 0.100000E-04    0.952689E+00
  10   -0.285065E-07    0.600784E+03  0.474488E-10 0.100000E-04    0.264910E+01
  11    0.249135E-07    0.586383E+03 -0.424867E-10 0.100000E-04    0.876950E+00
  12   -0.107256E-05    0.578882E+03  0.185282E-08 0.100000E-04    0.948692E+00
  13    0.525960E-07    0.565014E+03 -0.930879E-10 0.100000E-04    0.948292E+00
  14    0.455064E-06    0.487463E+03 -0.933536E-09 0.100000E-04    0.938917E+00
  15   -0.443550E-06    0.460644E+03  0.962893E-09 0.100000E-04    0.946094E+00
  16   -0.120579E-06    0.459787E+03  0.262249E-09 0.100000E-04    0.779390E+00
  17   -0.585382E-06    0.441681E+03  0.132535E-08 0.100000E-04    0.910930E+00
  18   -0.435229E-06    0.429349E+03  0.101370E-08 0.100000E-04    0.941133E+00
  19   -0.146334E-06    0.421921E+03  0.346827E-09 0.100000E-04    0.823810E+00
  20   -0.396439E-06    0.407988E+03  0.971693E-09 0.100000E-04    0.929869E+00
  21   -0.442016E-06    0.396352E+03  0.111521E-08 0.100000E-04    0.926638E+00
  22   -0.665314E-06    0.387506E+03  0.171691E-08 0.100000E-04    0.992279E+00
  23    0.843781E-06    0.370018E+03 -0.228038E-08 0.100000E-04    0.930157E+00
  24   -0.452860E-06    0.360564E+03  0.125598E-08 0.100000E-04    0.979640E+00
  25   -0.747949E-07    0.349364E+03  0.214089E-09 0.100000E-04    0.696349E+00
  26   -0.858747E-07    0.335281E+03  0.256128E-09 0.100000E-04    0.655376E+00
  27    0.365057E-06    0.329281E+03 -0.110865E-08 0.100000E-04    0.892080E+00
  28   -0.386770E-06    0.321837E+03  0.120176E-08 0.100000E-04    0.902820E+00
  29   -0.449645E-07    0.319109E+03  0.140906E-09 0.100000E-04    0.241123E+01
  30   -0.138873E-05    0.309424E+03  0.448813E-08 0.100000E-04    0.968110E+00
  31   -0.105828E-05    0.300833E+03  0.351783E-08 0.100000E-04    0.960811E+00
  32   -0.126615E-05    0.290599E+03  0.435703E-08 0.100000E-04    0.973684E+00
  33   -0.522109E-08    0.278956E+03  0.187165E-10 0.109000E-04    0.155144E+00
  34   -0.709098E-07    0.272724E+03  0.260006E-09 0.100000E-04    0.642013E+00
  35    0.107417E-05    0.268532E+03 -0.400014E-08 0.100000E-04    0.974457E+00
  36    0.131302E-05    0.264945E+03 -0.495581E-08 0.100000E-04    0.984674E+00
  37   -0.497708E-06    0.263819E+03  0.188655E-08 0.100000E-04    0.898953E+00
  38   -0.156456E-06    0.253232E+03  0.617838E-09 0.100000E-04    0.987276E+00
  39   -0.353610E-06    0.241566E+03  0.146382E-08 0.100000E-04    0.917426E+00
  40   -0.133949E-05    0.240763E+03  0.556354E-08 0.100000E-04    0.987989E+00
  41   -0.105051E-05    0.233992E+03  0.448954E-08 0.100000E-04    0.995959E+00
  42   -0.175348E-05    0.227511E+03  0.770723E-08 0.100000E-04    0.970108E+00
  43   -0.342032E-07    0.217115E+03  0.157535E-09 0.100000E-04    0.946463E+00
  44   -0.206350E-05    0.214888E+03  0.960266E-08 0.100000E-04    0.972014E+00
  45    0.706080E-06    0.213268E+03 -0.331076E-08 0.100000E-04    0.985642E+00
  46    0.112865E-05    0.207663E+03 -0.543500E-08 0.100000E-04    0.983866E+00
  47   -0.791685E-06    0.203010E+03  0.389974E-08 0.100000E-04    0.969367E+00
  48   -0.120123E-05    0.195455E+03  0.614583E-08 0.100000E-04    0.935164E+00
  49    0.974813E-06    0.194832E+03 -0.500336E-08 0.100000E-04    0.954273E+00
  50    0.133872E-05    0.191350E+03 -0.699618E-08 0.100000E-04    0.884492E+00
  51    0.222344E-06    0.182940E+03 -0.121539E-08 0.100000E-04    0.863432E+00
  52    0.591755E-06    0.174338E+03 -0.339430E-08 0.100000E-04    0.935477E+00
  53    0.919661E-07    0.172331E+03 -0.533660E-09 0.100000E-04    0.818815E+00
  54   -0.230866E-06    0.168208E+03  0.137250E-08 0.100000E-04    0.951456E+00
  55    0.877471E-06    0.163231E+03 -0.537566E-08 0.100000E-04    0.995130E+00
  56    0.139800E-05    0.156880E+03 -0.891126E-08 0.100000E-04    0.975046E+00
  57   -0.382523E-06    0.154898E+03  0.246952E-08 0.100000E-04    0.822630E+00
  58    0.926885E-06    0.152260E+03 -0.608751E-08 0.100000E-04    0.998505E+00
  59    0.672599E-06    0.146681E+03 -0.458544E-08 0.100000E-04    0.998116E+00
  60   -0.206980E-06    0.143358E+03  0.144379E-08 0.100000E-04    0.679587E+00
  61   -0.956753E-06    0.138079E+03  0.692902E-08 0.100000E-04    0.808478E+00
  62   -0.966196E-06    0.135873E+03  0.711101E-08 0.100000E-04    0.975176E+00
  63   -0.204549E-05    0.130298E+03  0.156985E-07 0.100000E-04    0.922154E+00
  64    0.625019E-07    0.128834E+03 -0.485134E-09 0.100000E-04    0.674621E+00
  65   -0.135627E-05    0.126893E+03  0.106883E-07 0.100000E-04    0.887304E+00
  66    0.629572E-06    0.124104E+03 -0.507296E-08 0.100000E-04    0.881365E+00
  67    0.190702E-05    0.120007E+03 -0.158910E-07 0.100000E-04    0.964410E+00
  68    0.457225E-06    0.118164E+03 -0.386941E-08 0.100000E-04    0.934733E+00
  69    0.635587E-07    0.116849E+03 -0.543938E-09 0.100000E-04    0.367809E+01
  70    0.139011E-05    0.110357E+03 -0.125965E-07 0.100000E-04    0.949228E+00
  71   -0.700906E-06    0.106831E+03  0.656090E-08 0.100000E-04    0.924485E+00
  72    0.107118E-05    0.104447E+03 -0.102557E-07 0.100000E-04    0.901762E+00
  73   -0.173509E-06    0.102854E+03  0.168695E-08 0.100000E-04    0.710401E+00
  74    0.631998E-07    0.995143E+02 -0.635083E-09 0.100000E-04    0.616340E+00
  75    0.208663E-06    0.960958E+02 -0.217141E-08 0.100000E-04    0.644017E+00
  76    0.236017E-06    0.941093E+02 -0.250790E-08 0.100000E-04    0.868563E+00
  77   -0.154077E-05    0.919794E+02  0.167512E-07 0.100000E-04    0.967137E+00
  78   -0.876927E-06    0.912255E+02  0.961274E-08 0.100000E-04    0.975255E+00
  79    0.695198E-06    0.884328E+02 -0.786132E-08 0.100000E-04    0.988983E+00
  80    0.489317E-06    0.856009E+02 -0.571626E-08 0.100000E-04    0.915301E+00
  81   -0.130875E-05    0.808328E+02  0.161908E-07 0.100000E-04    0.993316E+00
  82    0.128501E-05    0.804837E+02 -0.159661E-07 0.100000E-04    0.939335E+00
  83   -0.318174E-06    0.779626E+02  0.408112E-08 0.100000E-04    0.880051E+00
  84   -0.387507E-06    0.732906E+02  0.528727E-08 0.109000E-04    0.109647E+00
  85   -0.210630E-05    0.725714E+02  0.290238E-07 0.100000E-04    0.890845E+00
  86    0.605900E-06    0.679253E+02 -0.892010E-08 0.100000E-04    0.844410E+00
  87    0.874777E-06    0.647658E+02 -0.135068E-07 0.100000E-04    0.765866E+00
  88    0.134972E-05    0.613619E+02 -0.219961E-07 0.100000E-04    0.977152E+00
  89   -0.216467E-05    0.598428E+02  0.361727E-07 0.100000E-04    0.947194E+00
  90    0.217500E-05    0.593979E+02 -0.366174E-07 0.100000E-04    0.980310E+00
  91   -0.292876E-05    0.581376E+02  0.503764E-07 0.100000E-04    0.928509E+00
  92   -0.355263E-05    0.558803E+02  0.635757E-07 0.100000E-04    0.954142E+00
  93   -0.329427E-05    0.524486E+02  0.628095E-07 0.100000E-04    0.985974E+00
  94   -0.690649E-06    0.520396E+02  0.132716E-07 0.100000E-04    0.886737E+00
  95    0.197565E-05    0.502258E+02 -0.393354E-07 0.100000E-04    0.878726E+00
  96    0.118597E-05    0.461691E+02 -0.256875E-07 0.100000E-04    0.928272E+00
  97    0.332560E-05    0.433261E+02 -0.767576E-07 0.100000E-04    0.887403E+00
  98   -0.636994E-06    0.409135E+02  0.155693E-07 0.100000E-04    0.475150E+00
  99    0.199224E-05    0.378691E+02 -0.526084E-07 0.100000E-04    0.777253E+00
 100    0.160269E-05    0.362169E+02 -0.442525E-07 0.100000E-04    0.891055E+00
 101   -0.108025E-04    0.322781E+02  0.334669E-06 0.100000E-04    0.946084E+00
 102   -0.332079E-07    0.288933E+02  0.114933E-08 0.118810E-04    0.184471E+00
 103    0.266062E-05    0.284511E+02 -0.935154E-07 0.100000E-04    0.963548E+00
 104   -0.197490E-05    0.262920E+02  0.751138E-07 0.100000E-04    0.896653E+00
 105    0.604113E-05    0.233354E+02 -0.258883E-06 0.100000E-04    0.932859E+00
 106    0.561566E-05    0.213210E+02 -0.263386E-06 0.100000E-04    0.966531E+00
 107    0.206294E-04    0.198564E+02 -0.103893E-05 0.100000E-04    0.924938E+00
 108    0.234957E-04    0.164583E+02 -0.142759E-05 0.100000E-04    0.936525E+00
 109    0.609242E-05    0.139072E+02 -0.438077E-06 0.100000E-04    0.956798E+00
 110   -0.968063E-05    0.122429E+02  0.790715E-06 0.100000E-04    0.841370E+00
 111   -0.394582E-06    0.100921E+02  0.390981E-07 0.100000E-04    0.161797E+01
 112    0.336265E-01    0.902413E+01 -0.100000E-04 0.100000E-04    0.622521E+00
 113    0.927984E-01    0.574233E+01 -0.238808E-04 0.238808E-04    0.197904E+00
 114    0.913289E+00    0.317694E+01  0.100000E-04 0.100000E-04    0.789536E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2388084268E-04    0.2669834037    

 Beginning of optimization cycle  581.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996212523
 potential> RMS force:                                               0.0860367804   |gradient|=.9186214374    
 Eigenvalues of the Hessian matrix:
   746.57622    674.08943    630.61105    600.78213    586.38271    578.88260 
   565.01014    487.46265    460.64216    459.78636    441.68036    429.35031 
   421.92021    407.98580    396.35100    387.50423    370.01829    360.56386 
   349.36337    335.28143    329.28179    321.83631    319.10941    309.42262 
   300.83218    290.59952    278.95754    272.72419    268.53198    264.94545 
   263.81994    253.23133    241.56674    240.76327    233.99253    227.51123 
   217.11556    214.88852    213.26800    207.66362    203.00941    195.45369 
   194.83197    191.35047    182.94067    174.33881    172.33101    168.20866 
   163.23016    156.87981    154.89853    152.25987    146.68080    143.35768 
   138.07966    135.87317    130.29793    128.83440    126.89349    124.10238 
   120.00684    118.16416    116.84857    110.35678    106.83055    104.44748 
   102.85359     99.51419     96.09557     94.10902     91.97903     91.22574 
    88.43221     85.60124     80.83285     80.48445     77.96231     73.29033 
    72.57071     67.92498     64.76533     61.36141     59.84261     59.39798 
    58.13749     55.88002     52.44851     52.03919     50.22644     46.16866 
    43.32669     40.91364     37.86908     36.21648     32.27774     28.89361 
    28.45120     26.29232     23.33529     21.32125     19.85630     16.45822 
    13.90726     12.24290     10.09204      9.02577      5.74255      3.17664 
overlap for current and previous eigenvector    109 is         0.9999999870
overlap for current and previous eigenvector    110 is         0.9999999982
overlap for current and previous eigenvector    111 is         0.9999999699
overlap for current and previous eigenvector    112 is         0.9999999266
overlap for current and previous eigenvector    113 is         0.9999999179
overlap for current and previous eigenvector    114 is         0.9999999596
J1,K1,R1,R2,RAT=   7   7    0.3581127852E-01     1.964177607        0.9641776066    
FOB,PFOB,DIAG,PSTEP=   -0.1718487174E-06   -0.1782314490E-06     746.5762220        0.2387330780E-09
J1,K1,R1,R2,RAT=   8   8   -0.4631336370E-01     2.046317796        0.9536866363    
FOB,PFOB,DIAG,PSTEP=   -0.4380727511E-06   -0.4186822125E-06     674.0894283        0.6211064393E-09
J1,K1,R1,R2,RAT=   9   9   -0.5217676009E-01     2.052166586        0.9478232399    
FOB,PFOB,DIAG,PSTEP=   -0.7885860656E-06   -0.7494804072E-06     630.6110505        0.1188504736E-08
J1,K1,R1,R2,RAT=  10  10   -0.7748149425         2.774822800        0.2251850575    
FOB,PFOB,DIAG,PSTEP=   -0.5059368859E-07   -0.2850650744E-07     600.7821323        0.4744880701E-10
J1,K1,R1,R2,RAT=  11  11   -0.2576094117         2.257611687        0.7423905883    
FOB,PFOB,DIAG,PSTEP=    0.3133140355E-07    0.2491346722E-07     586.3827066       -0.4248665351E-10
J1,K1,R1,R2,RAT= 109 109   -0.2249388483E-01     2.022485277        0.9775061152    
FOB,PFOB,DIAG,PSTEP=    0.6229467390E-05    0.6092424505E-05     13.90725555       -0.4380771390E-06
J1,K1,R1,R2,RAT= 110 110   -0.1496900323         2.149687621        0.8503099677    
FOB,PFOB,DIAG,PSTEP=   -0.1112972575E-04   -0.9680630165E-05     12.24289743        0.7907149340E-06
J1,K1,R1,R2,RAT= 111 111   -0.4545559273         2.454570889        0.5454440727    
FOB,PFOB,DIAG,PSTEP=   -0.5739406518E-06   -0.3945822795E-06     10.09204484        0.3909805536E-07
J1,K1,R1,R2,RAT= 112 112    0.3448449407         744.7785487        0.6551550593    
FOB,PFOB,DIAG,PSTEP=    0.3359542196E-01    0.3362654686E-01     9.025765973       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7778637745         1354.146681        0.2221362255    
FOB,PFOB,DIAG,PSTEP=    0.9290504079E-01    0.9279836700E-01     5.742546441       -0.2388084268E-04
J1,K1,R1,R2,RAT= 114 114    0.1515669322        -57500.54320        0.8484330678    
FOB,PFOB,DIAG,PSTEP=    0.9132936792        0.9132888645         3.176635284        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00003 
     0.00001     -0.00001     -0.00000      0.03360      0.09291      0.91329 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3829239820
 Log product of positive Hessian eigenvalues =          519.0698004068
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1766352838
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000013
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000042
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000013
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000081
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000099
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000078
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=       -0.0000000037
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000092
 Unscaled step for mode   57=        0.0000000028
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000018
 Unscaled step for mode   61=        0.0000000081
 Unscaled step for mode   62=        0.0000000074
 Unscaled step for mode   63=        0.0000000171
 Unscaled step for mode   64=       -0.0000000014
 Unscaled step for mode   65=        0.0000000118
 Unscaled step for mode   66=       -0.0000000056
 Unscaled step for mode   67=       -0.0000000166
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=       -0.0000000008
 Unscaled step for mode   70=       -0.0000000133
 Unscaled step for mode   71=        0.0000000071
 Unscaled step for mode   72=       -0.0000000090
 Unscaled step for mode   73=        0.0000000021
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=       -0.0000000009
 Unscaled step for mode   76=       -0.0000000028
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=       -0.0000000100
 Unscaled step for mode   79=       -0.0000000082
 Unscaled step for mode   80=       -0.0000000062
 Unscaled step for mode   81=        0.0000000165
 Unscaled step for mode   82=       -0.0000000170
 Unscaled step for mode   83=        0.0000000034
 Unscaled step for mode   84=        0.0000000080
 Unscaled step for mode   85=        0.0000000318
 Unscaled step for mode   86=       -0.0000000103
 Unscaled step for mode   87=       -0.0000000167
 Unscaled step for mode   88=       -0.0000000215
 Unscaled step for mode   89=        0.0000000378
 Unscaled step for mode   90=       -0.0000000381
 Unscaled step for mode   91=        0.0000000558
 Unscaled step for mode   92=        0.0000000679
 Unscaled step for mode   93=        0.0000000650
 Unscaled step for mode   94=        0.0000000120
 Unscaled step for mode   95=       -0.0000000432
 Unscaled step for mode   96=       -0.0000000288
 Unscaled step for mode   97=       -0.0000000853
 Unscaled step for mode   98=        0.0000000202
 Unscaled step for mode   99=       -0.0000000624
 Unscaled step for mode  100=       -0.0000000491
 Unscaled step for mode  101=        0.0000003610
 Unscaled step for mode  102=        0.0000000113
 Unscaled step for mode  103=       -0.0000000964
 Unscaled step for mode  104=        0.0000000571
 Unscaled step for mode  105=       -0.0000002817
 Unscaled step for mode  106=       -0.0000002731
 Unscaled step for mode  107=       -0.0000011379
 Unscaled step for mode  108=       -0.0000015427
 Unscaled step for mode  109=       -0.0000004479
 Unscaled step for mode  110=        0.0000009091
 Unscaled step for mode  111=        0.0000000569
 Unscaled step for mode  112=       -0.0037221170
 Unscaled step for mode  113=       -0.0161741376
 Unscaled step for mode  114=        0.2670066220
 Largest modulus ratio of non-zero e/values=           235.0210696    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.742353E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.120580E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.353326E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.260209E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.454714E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.346979E-14    0.974293E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171849E-06    0.746576E+03  0.230182E-09 0.100000E-04    0.964178E+00
   8   -0.438073E-06    0.674089E+03  0.649873E-09 0.100000E-04    0.953687E+00
   9   -0.788586E-06    0.630611E+03  0.125051E-08 0.100000E-04    0.947823E+00
  10   -0.505937E-07    0.600782E+03  0.842130E-10 0.100000E-04    0.225185E+00
  11    0.313314E-07    0.586383E+03 -0.534317E-10 0.100000E-04    0.742391E+00
  12   -0.112647E-05    0.578883E+03  0.194594E-08 0.100000E-04    0.949741E+00
  13    0.502263E-07    0.565010E+03 -0.888945E-10 0.100000E-04    0.954945E+00
  14    0.476634E-06    0.487463E+03 -0.977786E-09 0.100000E-04    0.952600E+00
  15   -0.470822E-06    0.460642E+03  0.102210E-08 0.100000E-04    0.938516E+00
  16   -0.146333E-06    0.459786E+03  0.318263E-09 0.100000E-04    0.786409E+00
  17   -0.636888E-06    0.441680E+03  0.144197E-08 0.100000E-04    0.912013E+00
  18   -0.464101E-06    0.429350E+03  0.108094E-08 0.100000E-04    0.933664E+00
  19   -0.114845E-06    0.421920E+03  0.272196E-09 0.100000E-04    0.784816E+00
  20   -0.423666E-06    0.407986E+03  0.103843E-08 0.100000E-04    0.931320E+00
  21   -0.475029E-06    0.396351E+03  0.119850E-08 0.100000E-04    0.925313E+00
  22   -0.676497E-06    0.387504E+03  0.174578E-08 0.100000E-04    0.983191E+00
  23    0.900675E-06    0.370018E+03 -0.243414E-08 0.100000E-04    0.932573E+00
  24   -0.463207E-06    0.360564E+03  0.128467E-08 0.100000E-04    0.977152E+00
  25   -0.444040E-07    0.349363E+03  0.127100E-09 0.100000E-04    0.593676E+00
  26   -0.259394E-07    0.335281E+03  0.773662E-10 0.100000E-04    0.302059E+00
  27    0.411309E-06    0.329282E+03 -0.124911E-08 0.100000E-04    0.873302E+00
  28   -0.434131E-06    0.321836E+03  0.134892E-08 0.100000E-04    0.877548E+00
  29   -0.130853E-06    0.319109E+03  0.410058E-09 0.100000E-04    0.910146E+00
  30   -0.146502E-05    0.309423E+03  0.473470E-08 0.100000E-04    0.945065E+00
  31   -0.110737E-05    0.300832E+03  0.368102E-08 0.100000E-04    0.953611E+00
  32   -0.131487E-05    0.290600E+03  0.452467E-08 0.100000E-04    0.961525E+00
  33   -0.543600E-07    0.278958E+03  0.194868E-09 0.100000E-04    0.841157E+01
  34   -0.157750E-07    0.272724E+03  0.578423E-10 0.100000E-04    0.222463E+00
  35    0.111634E-05    0.268532E+03 -0.415719E-08 0.100000E-04    0.960738E+00
  36    0.133587E-05    0.264945E+03 -0.504205E-08 0.100000E-04    0.982597E+00
  37   -0.547105E-06    0.263820E+03  0.207378E-08 0.100000E-04    0.900752E+00
  38   -0.154224E-06    0.253231E+03  0.609024E-09 0.100000E-04    0.985732E+00
  39   -0.313045E-06    0.241567E+03  0.129589E-08 0.100000E-04    0.885281E+00
  40   -0.135511E-05    0.240763E+03  0.562839E-08 0.100000E-04    0.988341E+00
  41   -0.103718E-05    0.233993E+03  0.443253E-08 0.100000E-04    0.987298E+00
  42   -0.183635E-05    0.227511E+03  0.807146E-08 0.100000E-04    0.952740E+00
  43   -0.415300E-07    0.217116E+03  0.191280E-09 0.100000E-04    0.785787E+00
  44   -0.212630E-05    0.214889E+03  0.989491E-08 0.100000E-04    0.969565E+00
  45    0.708856E-06    0.213268E+03 -0.332378E-08 0.100000E-04    0.996068E+00
  46    0.113614E-05    0.207664E+03 -0.547104E-08 0.100000E-04    0.993366E+00
  47   -0.811005E-06    0.203009E+03  0.399491E-08 0.100000E-04    0.975597E+00
  48   -0.130806E-05    0.195454E+03  0.669242E-08 0.100000E-04    0.911068E+00
  49    0.101616E-05    0.194832E+03 -0.521559E-08 0.100000E-04    0.957581E+00
  50    0.149309E-05    0.191350E+03 -0.780293E-08 0.100000E-04    0.884684E+00
  51    0.255530E-06    0.182941E+03 -0.139679E-08 0.100000E-04    0.850744E+00
  52    0.644929E-06    0.174339E+03 -0.369928E-08 0.100000E-04    0.910142E+00
  53    0.691984E-07    0.172331E+03 -0.401544E-09 0.100000E-04    0.752431E+00
  54   -0.219779E-06    0.168209E+03  0.130659E-08 0.100000E-04    0.951973E+00
  55    0.888101E-06    0.163230E+03 -0.544079E-08 0.100000E-04    0.987886E+00
  56    0.143704E-05    0.156880E+03 -0.916013E-08 0.100000E-04    0.972074E+00
  57   -0.433868E-06    0.154899E+03  0.280098E-08 0.100000E-04    0.865775E+00
  58    0.938706E-06    0.152260E+03 -0.616516E-08 0.100000E-04    0.987246E+00
  59    0.681018E-06    0.146681E+03 -0.464286E-08 0.100000E-04    0.987484E+00
  60   -0.253792E-06    0.143358E+03  0.177034E-08 0.100000E-04    0.773829E+00
  61   -0.111993E-05    0.138080E+03  0.811077E-08 0.100000E-04    0.829446E+00
  62   -0.100592E-05    0.135873E+03  0.740336E-08 0.100000E-04    0.958888E+00
  63   -0.223410E-05    0.130298E+03  0.171461E-07 0.100000E-04    0.907790E+00
  64    0.176446E-06    0.128834E+03 -0.136955E-08 0.100000E-04    0.823041E+00
  65   -0.149294E-05    0.126893E+03  0.117653E-07 0.100000E-04    0.899231E+00
  66    0.697239E-06    0.124102E+03 -0.561826E-08 0.100000E-04    0.892518E+00
  67    0.198906E-05    0.120007E+03 -0.165745E-07 0.100000E-04    0.956985E+00
  68    0.488050E-06    0.118164E+03 -0.413027E-08 0.100000E-04    0.932583E+00
  69    0.971237E-07    0.116849E+03 -0.831193E-09 0.100000E-04    0.471903E+00
  70    0.146549E-05    0.110357E+03 -0.132795E-07 0.100000E-04    0.945778E+00
  71   -0.756506E-06    0.106831E+03  0.708136E-08 0.100000E-04    0.920674E+00
  72    0.935660E-06    0.104447E+03 -0.895818E-08 0.100000E-04    0.873477E+00
  73   -0.213849E-06    0.102854E+03  0.207916E-08 0.100000E-04    0.767507E+00
  74    0.293503E-07    0.995142E+02 -0.294936E-09 0.100000E-04    0.464404E+00
  75    0.901579E-07    0.960956E+02 -0.938211E-09 0.100000E-04    0.432073E+00
  76    0.265510E-06    0.941090E+02 -0.282130E-08 0.100000E-04    0.875040E+00
  77    0.149480E-05    0.919790E+02 -0.162516E-07 0.100000E-04    0.970169E+00
  78    0.912404E-06    0.912257E+02 -0.100016E-07 0.100000E-04    0.959544E+00
  79    0.725794E-06    0.884322E+02 -0.820735E-08 0.100000E-04    0.955989E+00
  80    0.532398E-06    0.856012E+02 -0.621952E-08 0.100000E-04    0.911957E+00
  81   -0.133330E-05    0.808329E+02  0.164945E-07 0.100000E-04    0.981241E+00
  82    0.136597E-05    0.804844E+02 -0.169718E-07 0.100000E-04    0.936996E+00
  83   -0.265784E-06    0.779623E+02  0.340913E-08 0.100000E-04    0.835339E+00
  84   -0.586471E-06    0.732903E+02  0.800202E-08 0.100000E-04    0.486554E+00
  85   -0.230681E-05    0.725707E+02  0.317871E-07 0.100000E-04    0.904800E+00
  86    0.701454E-06    0.679250E+02 -0.103269E-07 0.100000E-04    0.842295E+00
  87    0.107873E-05    0.647653E+02 -0.166559E-07 0.100000E-04    0.766855E+00
  88    0.131735E-05    0.613614E+02 -0.214686E-07 0.100000E-04    0.976014E+00
  89   -0.225947E-05    0.598426E+02  0.377569E-07 0.100000E-04    0.956208E+00
  90    0.226439E-05    0.593980E+02 -0.381223E-07 0.100000E-04    0.958900E+00
  91   -0.324278E-05    0.581375E+02  0.557778E-07 0.100000E-04    0.892780E+00
  92   -0.379430E-05    0.558800E+02  0.679009E-07 0.100000E-04    0.931973E+00
  93   -0.340988E-05    0.524485E+02  0.650138E-07 0.100000E-04    0.964907E+00
  94   -0.623235E-06    0.520392E+02  0.119763E-07 0.100000E-04    0.902389E+00
  95    0.217130E-05    0.502264E+02 -0.432303E-07 0.100000E-04    0.900968E+00
  96    0.133107E-05    0.461687E+02 -0.288305E-07 0.100000E-04    0.877655E+00
  97    0.369540E-05    0.433267E+02 -0.852915E-07 0.100000E-04    0.888805E+00
  98   -0.826525E-06    0.409136E+02  0.202017E-07 0.100000E-04    0.702460E+00
  99    0.236139E-05    0.378691E+02 -0.623566E-07 0.100000E-04    0.814704E+00
 100    0.177778E-05    0.362165E+02 -0.490877E-07 0.100000E-04    0.890747E+00
 101   -0.116529E-04    0.322777E+02  0.361020E-06 0.100000E-04    0.921277E+00
 102   -0.327865E-06    0.288936E+02  0.113473E-07 0.107036E-04    0.787298E+01
 103    0.274134E-05    0.284512E+02 -0.963524E-07 0.100000E-04    0.969661E+00
 104   -0.150082E-05    0.262923E+02  0.570819E-07 0.100000E-04    0.759927E+00
 105    0.657283E-05    0.233353E+02 -0.281669E-06 0.100000E-04    0.911985E+00
 106    0.582313E-05    0.213212E+02 -0.273114E-06 0.100000E-04    0.963057E+00
 107    0.225943E-04    0.198563E+02 -0.113789E-05 0.100000E-04    0.904751E+00
 108    0.253905E-04    0.164582E+02 -0.154272E-05 0.100000E-04    0.919356E+00
 109    0.622947E-05    0.139073E+02 -0.447929E-06 0.100000E-04    0.977506E+00
 110   -0.111297E-04    0.122429E+02  0.909076E-06 0.100000E-04    0.850310E+00
 111   -0.573941E-06    0.100920E+02  0.568706E-07 0.100000E-04    0.545444E+00
 112    0.335954E-01    0.902577E+01 -0.100000E-04 0.100000E-04    0.655155E+00
 113    0.929050E-01    0.574255E+01 -0.215143E-04 0.215143E-04    0.222136E+00
 114    0.913294E+00    0.317664E+01  0.100000E-04 0.100000E-04    0.848433E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2151427269E-04    0.2670066220    

 Beginning of optimization cycle  582.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996144522
 potential> RMS force:                                               0.0860382591   |gradient|=.9186372248    
 Eigenvalues of the Hessian matrix:
   746.58024    674.08818    630.61412    600.77976    586.38212    578.88290 
   565.00612    487.46233    460.64081    459.78580    441.67973    429.35159 
   421.91960    407.98415    396.35044    387.50278    370.01876    360.56402 
   349.36260    335.28208    329.28268    321.83609    319.11004    309.42144 
   300.83156    290.59957    278.95901    272.72465    268.53219    264.94579 
   263.82055    253.23070    241.56698    240.76373    233.99330    227.51154 
   217.11625    214.88866    213.26770    207.66411    203.00898    195.45286 
   194.83234    191.35095    182.94140    174.33955    172.33125    168.20893 
   163.22982    156.87958    154.89905    152.25969    146.68018    143.35728 
   138.08019    135.87317    130.29767    128.83461    126.89370    124.10125 
   120.00702    118.16430    116.84815    110.35702    106.83038    104.44772 
   102.85367     99.51412     96.09536     94.10880     91.97860     91.22596 
    88.43169     85.60155     80.83292     80.48514     77.96209     73.29013 
    72.57014     67.92469     64.76485     61.36091     59.84238     59.39808 
    58.13744     55.87980     52.44840     52.03881     50.22704     46.16824 
    43.32726     40.91375     37.86904     36.21615     32.27736     28.89395 
    28.45126     26.29260     23.33519     21.32149     19.85620     16.45812 
    13.90731     12.24291     10.09197      9.02730      5.74274      3.17634 
overlap for current and previous eigenvector    109 is         0.9999999888
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999750
overlap for current and previous eigenvector    112 is         0.9999999369
overlap for current and previous eigenvector    113 is         0.9999999280
overlap for current and previous eigenvector    114 is         0.9999999651
J1,K1,R1,R2,RAT=   7   7   -0.9415289670E-02     2.009404522        0.9905847103    
FOB,PFOB,DIAG,PSTEP=   -0.1734667316E-06   -0.1718487174E-06     746.5802416        0.2301824145E-09
J1,K1,R1,R2,RAT=   8   8    0.5296331493E-01     1.947040395        0.9470366851    
FOB,PFOB,DIAG,PSTEP=   -0.4148710091E-06   -0.4380727511E-06     674.0881778        0.6498733443E-09
J1,K1,R1,R2,RAT=   9   9    0.5733068980E-01     1.942659582        0.9426595817    
FOB,PFOB,DIAG,PSTEP=   -0.7433756625E-06   -0.7885860656E-06     630.6141179        0.1250511016E-08
J1,K1,R1,R2,RAT=  10  10    0.5581835069         1.441824385        0.4418164931    
FOB,PFOB,DIAG,PSTEP=   -0.2235323750E-07   -0.5059368859E-07     600.7797616        0.8421303810E-10
J1,K1,R1,R2,RAT=  11  11    0.1531668658         1.846835120        0.8468331342    
FOB,PFOB,DIAG,PSTEP=    0.2653247543E-07    0.3133140355E-07     586.3821242       -0.5343166366E-10
J1,K1,R1,R2,RAT= 109 109    0.5334600238E-01     1.946645543        0.9466455433    
FOB,PFOB,DIAG,PSTEP=    0.5897148803E-05    0.6229467390E-05     13.90731434       -0.4479293104E-06
J1,K1,R1,R2,RAT= 110 110    0.1539868547         1.846010436        0.8460104365    
FOB,PFOB,DIAG,PSTEP=   -0.9415891970E-05   -0.1112972575E-04     12.24291402        0.9090761246E-06
J1,K1,R1,R2,RAT= 111 111    0.9616511370         1.038364069        0.3834886298E-01
FOB,PFOB,DIAG,PSTEP=   -0.2201416765E-07   -0.5739406518E-06     10.09196811        0.5687060065E-07
J1,K1,R1,R2,RAT= 112 112    0.3856558421         743.9217604        0.6143441579    
FOB,PFOB,DIAG,PSTEP=    0.3356060766E-01    0.3359542196E-01     9.027297385       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8349461668         1504.750906        0.1650538332    
FOB,PFOB,DIAG,PSTEP=    0.9300819909E-01    0.9290504079E-01     5.742738450       -0.2151427269E-04
J1,K1,R1,R2,RAT= 114 114    0.2096794681        -57506.16094        0.7903205319    
FOB,PFOB,DIAG,PSTEP=    0.9133003394        0.9132936792         3.176344915        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03356      0.09301      0.91330 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3829026675
 Log product of positive Hessian eigenvalues =          519.0698807615
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1763449145
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000034
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000055
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000067
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000157
 Unscaled step for mode   64=       -0.0000000005
 Unscaled step for mode   65=        0.0000000104
 Unscaled step for mode   66=       -0.0000000049
 Unscaled step for mode   67=       -0.0000000158
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000003
 Unscaled step for mode   70=       -0.0000000125
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=       -0.0000000104
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=       -0.0000000025
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=       -0.0000000096
 Unscaled step for mode   79=       -0.0000000081
 Unscaled step for mode   80=       -0.0000000057
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=       -0.0000000158
 Unscaled step for mode   83=        0.0000000041
 Unscaled step for mode   84=        0.0000000048
 Unscaled step for mode   85=        0.0000000281
 Unscaled step for mode   86=       -0.0000000087
 Unscaled step for mode   87=       -0.0000000134
 Unscaled step for mode   88=       -0.0000000220
 Unscaled step for mode   89=        0.0000000354
 Unscaled step for mode   90=       -0.0000000371
 Unscaled step for mode   91=        0.0000000512
 Unscaled step for mode   92=        0.0000000642
 Unscaled step for mode   93=        0.0000000637
 Unscaled step for mode   94=        0.0000000140
 Unscaled step for mode   95=       -0.0000000379
 Unscaled step for mode   96=       -0.0000000265
 Unscaled step for mode   97=       -0.0000000750
 Unscaled step for mode   98=        0.0000000134
 Unscaled step for mode   99=       -0.0000000503
 Unscaled step for mode  100=       -0.0000000435
 Unscaled step for mode  101=        0.0000003382
 Unscaled step for mode  102=        0.0000000017
 Unscaled step for mode  103=       -0.0000000921
 Unscaled step for mode  104=        0.0000000682
 Unscaled step for mode  105=       -0.0000002605
 Unscaled step for mode  106=       -0.0000002612
 Unscaled step for mode  107=       -0.0000010441
 Unscaled step for mode  108=       -0.0000014310
 Unscaled step for mode  109=       -0.0000004240
 Unscaled step for mode  110=        0.0000007691
 Unscaled step for mode  111=        0.0000000022
 Unscaled step for mode  112=       -0.0037176291
 Unscaled step for mode  113=       -0.0161915463
 Unscaled step for mode  114=        0.2670294697
 Largest modulus ratio of non-zero e/values=           235.0438198    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.147517E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.121588E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.110430E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.294117E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.175532E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.291820E-14    0.974294E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173467E-06    0.746580E+03  0.232348E-09 0.100000E-04    0.990585E+00
   8   -0.414871E-06    0.674088E+03  0.615455E-09 0.100000E-04    0.947037E+00
   9   -0.743376E-06    0.630614E+03  0.117881E-08 0.100000E-04    0.942660E+00
  10   -0.223532E-07    0.600780E+03  0.372070E-10 0.100000E-04    0.441816E+00
  11    0.265325E-07    0.586382E+03 -0.452478E-10 0.100000E-04    0.846833E+00
  12   -0.105841E-05    0.578883E+03  0.182837E-08 0.100000E-04    0.939585E+00
  13    0.536181E-07    0.565006E+03 -0.948983E-10 0.100000E-04    0.932469E+00
  14    0.443706E-06    0.487462E+03 -0.910237E-09 0.100000E-04    0.930916E+00
  15   -0.440788E-06    0.460641E+03  0.956901E-09 0.100000E-04    0.936210E+00
  16   -0.118043E-06    0.459786E+03  0.256735E-09 0.100000E-04    0.806673E+00
  17   -0.575375E-06    0.441680E+03  0.130270E-08 0.100000E-04    0.903417E+00
  18   -0.431049E-06    0.429352E+03  0.100395E-08 0.100000E-04    0.928778E+00
  19   -0.154219E-06    0.421920E+03  0.365518E-09 0.100000E-04    0.657155E+00
  20   -0.389710E-06    0.407984E+03  0.955209E-09 0.100000E-04    0.919851E+00
  21   -0.435281E-06    0.396350E+03  0.109822E-08 0.100000E-04    0.916327E+00
  22   -0.667800E-06    0.387503E+03  0.172334E-08 0.100000E-04    0.987144E+00
  23    0.828817E-06    0.370019E+03 -0.223993E-08 0.100000E-04    0.920216E+00
  24   -0.450077E-06    0.360564E+03  0.124826E-08 0.100000E-04    0.971654E+00
  25   -0.858002E-07    0.349363E+03  0.245591E-09 0.109000E-04    0.677351E-01
  26   -0.829621E-07    0.335282E+03  0.247440E-09 0.100000E-04    0.119829E+01
  27    0.364961E-06    0.329283E+03 -0.110835E-08 0.100000E-04    0.887309E+00
  28   -0.388382E-06    0.321836E+03  0.120677E-08 0.100000E-04    0.894619E+00
  29   -0.574585E-07    0.319110E+03  0.180059E-09 0.100000E-04    0.439103E+00
  30   -0.140653E-05    0.309421E+03  0.454569E-08 0.100000E-04    0.960076E+00
  31   -0.105523E-05    0.300832E+03  0.350772E-08 0.100000E-04    0.952920E+00
  32   -0.127062E-05    0.290600E+03  0.437240E-08 0.100000E-04    0.966348E+00
  33   -0.462556E-08    0.278959E+03  0.165815E-10 0.109000E-04    0.850856E-01
  34   -0.668994E-07    0.272725E+03  0.245300E-09 0.100000E-04    0.224084E+01
  35    0.107808E-05    0.268532E+03 -0.401473E-08 0.100000E-04    0.965729E+00
  36    0.130908E-05    0.264946E+03 -0.494094E-08 0.100000E-04    0.979944E+00
  37   -0.488585E-06    0.263821E+03  0.185196E-08 0.100000E-04    0.893033E+00
  38   -0.155708E-06    0.253231E+03  0.614885E-09 0.100000E-04    0.990380E+00
  39   -0.356118E-06    0.241567E+03  0.147420E-08 0.100000E-04    0.862407E+00
  40   -0.133267E-05    0.240764E+03  0.553518E-08 0.100000E-04    0.983436E+00
  41   -0.104160E-05    0.233993E+03  0.445143E-08 0.100000E-04    0.995734E+00
  42   -0.176543E-05    0.227512E+03  0.775975E-08 0.100000E-04    0.961381E+00
  43   -0.368217E-07    0.217116E+03  0.169594E-09 0.100000E-04    0.886624E+00
  44   -0.205067E-05    0.214889E+03  0.954296E-08 0.100000E-04    0.964431E+00
  45    0.718991E-06    0.213268E+03 -0.337131E-08 0.100000E-04    0.985702E+00
  46    0.111343E-05    0.207664E+03 -0.536171E-08 0.100000E-04    0.980013E+00
  47   -0.780866E-06    0.203009E+03  0.384646E-08 0.100000E-04    0.962837E+00
  48   -0.120958E-05    0.195453E+03  0.618858E-08 0.100000E-04    0.924711E+00
  49    0.962403E-06    0.194832E+03 -0.493965E-08 0.100000E-04    0.947091E+00
  50    0.131315E-05    0.191351E+03 -0.686253E-08 0.100000E-04    0.879478E+00
  51    0.220868E-06    0.182941E+03 -0.120731E-08 0.100000E-04    0.864344E+00
  52    0.596380E-06    0.174340E+03 -0.342080E-08 0.100000E-04    0.924714E+00
  53    0.972935E-07    0.172331E+03 -0.564573E-09 0.100000E-04    0.593992E+00
  54   -0.235133E-06    0.168209E+03  0.139786E-08 0.100000E-04    0.930140E+00
  55    0.890555E-06    0.163230E+03 -0.545584E-08 0.100000E-04    0.997236E+00
  56    0.138988E-05    0.156880E+03 -0.885955E-08 0.100000E-04    0.967185E+00
  57   -0.359902E-06    0.154899E+03  0.232346E-08 0.100000E-04    0.829513E+00
  58    0.939643E-06    0.152260E+03 -0.617132E-08 0.100000E-04    0.999002E+00
  59    0.676329E-06    0.146680E+03 -0.461091E-08 0.100000E-04    0.993116E+00
  60   -0.188198E-06    0.143357E+03  0.131279E-08 0.100000E-04    0.741543E+00
  61   -0.922342E-06    0.138080E+03  0.667975E-08 0.100000E-04    0.823563E+00
  62   -0.970433E-06    0.135873E+03  0.714220E-08 0.100000E-04    0.964725E+00
  63   -0.204219E-05    0.130298E+03  0.156732E-07 0.100000E-04    0.914096E+00
  64    0.653142E-07    0.128835E+03 -0.506962E-09 0.100000E-04    0.370164E+00
  65   -0.131570E-05    0.126894E+03  0.103685E-07 0.100000E-04    0.881274E+00
  66    0.614210E-06    0.124101E+03 -0.494927E-08 0.100000E-04    0.880917E+00
  67    0.190177E-05    0.120007E+03 -0.158472E-07 0.100000E-04    0.956115E+00
  68    0.452157E-06    0.118164E+03 -0.382651E-08 0.100000E-04    0.926454E+00
  69    0.323097E-07    0.116848E+03 -0.276510E-09 0.100000E-04    0.332664E+00
  70    0.137709E-05    0.110357E+03 -0.124785E-07 0.100000E-04    0.939678E+00
  71   -0.692546E-06    0.106830E+03  0.648267E-08 0.100000E-04    0.915454E+00
  72    0.108268E-05    0.104448E+03 -0.103657E-07 0.100000E-04    0.842872E+00
  73   -0.163366E-06    0.102854E+03  0.158834E-08 0.100000E-04    0.763932E+00
  74    0.795564E-07    0.995141E+02 -0.799448E-09 0.100000E-04    0.710583E+00
  75    0.236838E-06    0.960954E+02 -0.246462E-08 0.100000E-04    0.626928E+00
  76    0.229137E-06    0.941088E+02 -0.243481E-08 0.100000E-04    0.863007E+00
  77   -0.156339E-05    0.919786E+02  0.169974E-07 0.100000E-04    0.954114E+00
  78    0.879885E-06    0.912260E+02 -0.964511E-08 0.100000E-04    0.964354E+00
  79    0.713122E-06    0.884317E+02 -0.806410E-08 0.100000E-04    0.982541E+00
  80    0.484741E-06    0.856015E+02 -0.566276E-08 0.100000E-04    0.910479E+00
  81   -0.131903E-05    0.808329E+02  0.163179E-07 0.100000E-04    0.989295E+00
  82    0.127140E-05    0.804851E+02 -0.157968E-07 0.100000E-04    0.930754E+00
  83   -0.318728E-06    0.779621E+02  0.408825E-08 0.100000E-04    0.800797E+00
  84   -0.350478E-06    0.732901E+02  0.478206E-08 0.100000E-04    0.597604E+00
  85   -0.204270E-05    0.725701E+02  0.281479E-07 0.100000E-04    0.885504E+00
  86    0.591463E-06    0.679247E+02 -0.870762E-08 0.100000E-04    0.843195E+00
  87    0.865625E-06    0.647649E+02 -0.133657E-07 0.100000E-04    0.802451E+00
  88    0.135138E-05    0.613609E+02 -0.220234E-07 0.100000E-04    0.974167E+00
  89   -0.211869E-05    0.598424E+02  0.354045E-07 0.100000E-04    0.937692E+00
  90    0.220121E-05    0.593981E+02 -0.370586E-07 0.100000E-04    0.972095E+00
  91   -0.297523E-05    0.581374E+02  0.511758E-07 0.100000E-04    0.917494E+00
  92   -0.358599E-05    0.558798E+02  0.641732E-07 0.100000E-04    0.945097E+00
  93   -0.334183E-05    0.524484E+02  0.637166E-07 0.100000E-04    0.980045E+00
  94   -0.729529E-06    0.520388E+02  0.140189E-07 0.100000E-04    0.829447E+00
  95    0.190444E-05    0.502270E+02 -0.379166E-07 0.100000E-04    0.877072E+00
  96    0.122528E-05    0.461682E+02 -0.265395E-07 0.100000E-04    0.920528E+00
  97    0.325132E-05    0.433273E+02 -0.750409E-07 0.100000E-04    0.879803E+00
  98   -0.546548E-06    0.409138E+02  0.133585E-07 0.100000E-04    0.661256E+00
  99    0.190390E-05    0.378690E+02 -0.502759E-07 0.100000E-04    0.806263E+00
 100    0.157452E-05    0.362162E+02 -0.434757E-07 0.100000E-04    0.885664E+00
 101   -0.109158E-04    0.322774E+02  0.338188E-06 0.100000E-04    0.936746E+00
 102   -0.496372E-07    0.288939E+02  0.171791E-08 0.116669E-04    0.151382E+00
 103    0.262160E-05    0.284513E+02 -0.921434E-07 0.100000E-04    0.956315E+00
 104   -0.179357E-05    0.262926E+02  0.682158E-07 0.100000E-04    0.804939E+00
 105    0.607884E-05    0.233352E+02 -0.260501E-06 0.100000E-04    0.924842E+00
 106    0.556984E-05    0.213215E+02 -0.261231E-06 0.100000E-04    0.956480E+00
 107    0.207327E-04    0.198562E+02 -0.104414E-05 0.100000E-04    0.917608E+00
 108    0.235522E-04    0.164581E+02 -0.143104E-05 0.100000E-04    0.927602E+00
 109    0.589715E-05    0.139073E+02 -0.424032E-06 0.100000E-04    0.946646E+00
 110   -0.941589E-05    0.122429E+02  0.769089E-06 0.100000E-04    0.846010E+00
 111   -0.220142E-07    0.100920E+02  0.218136E-08 0.109000E-04    0.383489E-01
 112    0.335606E-01    0.902730E+01 -0.100000E-04 0.100000E-04    0.614344E+00
 113    0.930082E-01    0.574274E+01 -0.234506E-04 0.234506E-04    0.165054E+00
 114    0.913300E+00    0.317634E+01  0.100000E-04 0.100000E-04    0.790321E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2345055723E-04    0.2670294697    

 Beginning of optimization cycle  583.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996078337
 potential> RMS force:                                               0.0860396310   |gradient|=.9186518725    
 Eigenvalues of the Hessian matrix:
   746.58436    674.08671    630.61729    600.77741    586.38147    578.88321 
   565.00185    487.46190    460.63942    459.78521    441.67906    429.35303 
   421.91897    407.98240    396.34984    387.50128    370.01925    360.56422 
   349.36187    335.28278    329.28361    321.83581    319.11081    309.42023 
   300.83098    290.59963    278.96060    272.72513    268.53246    264.94614 
   263.82127    253.23009    241.56730    240.76421    233.99416    227.51193 
   217.11704    214.88880    213.26739    207.66464    203.00853    195.45201 
   194.83276    191.35144    182.94220    174.34033    172.33150    168.20924 
   163.22947    156.87935    154.89960    152.25949    146.67953    143.35684 
   138.08075    135.87318    130.29738    128.83485    126.89390    124.10005 
   120.00721    118.16444    116.84768    110.35728    106.83018    104.44796 
   102.85373     99.51404     96.09513     94.10856     91.97819     91.22620 
    88.43114     85.60188     80.83300     80.48588     77.96186     73.28988 
    72.56951     67.92435     64.76435     61.36042     59.84214     59.39818 
    58.13738     55.87955     52.44828     52.03840     50.22766     46.16778 
    43.32786     40.91386     37.86897     36.21574     32.27696     28.89429 
    28.45133     26.29289     23.33510     21.32172     19.85611     16.45801 
    13.90737     12.24293     10.09189      9.02892      5.74295      3.17604 
overlap for current and previous eigenvector    109 is         0.9999999873
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999704
overlap for current and previous eigenvector    112 is         0.9999999283
overlap for current and previous eigenvector    113 is         0.9999999201
overlap for current and previous eigenvector    114 is         0.9999999607
J1,K1,R1,R2,RAT=   7   7    0.3735642802E-02     1.996253336        0.9962533363    
FOB,PFOB,DIAG,PSTEP=   -0.1728187183E-06   -0.1734667316E-06     746.5843557        0.2323484094E-09
J1,K1,R1,R2,RAT=   8   8   -0.4578596267E-01     2.045790310        0.9542140373    
FOB,PFOB,DIAG,PSTEP=   -0.4338662363E-06   -0.4148710091E-06     674.0867127        0.6154551032E-09
J1,K1,R1,R2,RAT=   9   9   -0.4861426465E-01     2.048604203        0.9513857353    
FOB,PFOB,DIAG,PSTEP=   -0.7795145055E-06   -0.7433756625E-06     630.6172903        0.1178812274E-08
J1,K1,R1,R2,RAT=  10  10    -1.072604262         3.072612102        0.7260426245E-01
FOB,PFOB,DIAG,PSTEP=   -0.4632932135E-07   -0.2235323750E-07     600.7774066        0.3720704147E-10
J1,K1,R1,R2,RAT=  11  11   -0.1107648505         2.110767077        0.8892351495    
FOB,PFOB,DIAG,PSTEP=    0.2947133784E-07    0.2653247543E-07     586.3814714       -0.4524775626E-10
J1,K1,R1,R2,RAT= 109 109   -0.4490824546E-01     2.044899595        0.9550917545    
FOB,PFOB,DIAG,PSTEP=    0.6161980554E-05    0.5897148803E-05     13.90737450       -0.4240321788E-06
J1,K1,R1,R2,RAT= 110 110   -0.1506966347         2.150693939        0.8493033653    
FOB,PFOB,DIAG,PSTEP=   -0.1083483712E-04   -0.9415891970E-05     12.24293052        0.7690891202E-06
J1,K1,R1,R2,RAT= 111 111    -24.41756412         26.41757891         23.41756412    
FOB,PFOB,DIAG,PSTEP=   -0.5595425414E-06   -0.2201416765E-07     10.09189346        0.2181355253E-08
J1,K1,R1,R2,RAT= 112 112    0.3529648375         743.0497018        0.6470351625    
FOB,PFOB,DIAG,PSTEP=    0.3352873876E-01    0.3356060766E-01     9.028917749       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7847880038         1382.005633        0.2152119962    
FOB,PFOB,DIAG,PSTEP=    0.9311389069E-01    0.9300819909E-01     5.742948744       -0.2345055723E-04
J1,K1,R1,R2,RAT= 114 114    0.1616576245        -57511.97549        0.8383423755    
FOB,PFOB,DIAG,PSTEP=    0.9133054737        0.9133003394         3.176044289        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00003 
     0.00001     -0.00001     -0.00000      0.03353      0.09311      0.91331 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3828828028
 Log product of positive Hessian eigenvalues =          519.0699667696
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1760442892
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000001
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000013
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000080
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000098
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000055
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000076
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=       -0.0000000036
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=        0.0000000079
 Unscaled step for mode   62=        0.0000000073
 Unscaled step for mode   63=        0.0000000169
 Unscaled step for mode   64=       -0.0000000012
 Unscaled step for mode   65=        0.0000000115
 Unscaled step for mode   66=       -0.0000000055
 Unscaled step for mode   67=       -0.0000000164
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=       -0.0000000008
 Unscaled step for mode   70=       -0.0000000131
 Unscaled step for mode   71=        0.0000000070
 Unscaled step for mode   72=        0.0000000092
 Unscaled step for mode   73=       -0.0000000020
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000012
 Unscaled step for mode   76=       -0.0000000027
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=        0.0000000099
 Unscaled step for mode   79=       -0.0000000082
 Unscaled step for mode   80=       -0.0000000061
 Unscaled step for mode   81=        0.0000000164
 Unscaled step for mode   82=       -0.0000000168
 Unscaled step for mode   83=        0.0000000035
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=       -0.0000000312
 Unscaled step for mode   86=       -0.0000000100
 Unscaled step for mode   87=       -0.0000000161
 Unscaled step for mode   88=       -0.0000000215
 Unscaled step for mode   89=        0.0000000373
 Unscaled step for mode   90=       -0.0000000378
 Unscaled step for mode   91=        0.0000000548
 Unscaled step for mode   92=        0.0000000672
 Unscaled step for mode   93=        0.0000000647
 Unscaled step for mode   94=        0.0000000122
 Unscaled step for mode   95=       -0.0000000425
 Unscaled step for mode   96=       -0.0000000284
 Unscaled step for mode   97=       -0.0000000833
 Unscaled step for mode   98=        0.0000000191
 Unscaled step for mode   99=       -0.0000000606
 Unscaled step for mode  100=       -0.0000000481
 Unscaled step for mode  101=        0.0000003567
 Unscaled step for mode  102=        0.0000000097
 Unscaled step for mode  103=       -0.0000000956
 Unscaled step for mode  104=        0.0000000586
 Unscaled step for mode  105=       -0.0000002781
 Unscaled step for mode  106=       -0.0000002703
 Unscaled step for mode  107=       -0.0000011226
 Unscaled step for mode  108=       -0.0000015230
 Unscaled step for mode  109=       -0.0000004431
 Unscaled step for mode  110=        0.0000008850
 Unscaled step for mode  111=        0.0000000554
 Unscaled step for mode  112=       -0.0037134325
 Unscaled step for mode  113=       -0.0162093429
 Unscaled step for mode  114=        0.2670526816
 Largest modulus ratio of non-zero e/values=           235.0673629    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.125594E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.110122E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.120600E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.381639E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.458699E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.315176E-14    0.974294E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172819E-06    0.746584E+03  0.231479E-09 0.100000E-04    0.996253E+00
   8   -0.433866E-06    0.674087E+03  0.643636E-09 0.100000E-04    0.954214E+00
   9   -0.779515E-06    0.630617E+03  0.123611E-08 0.100000E-04    0.951386E+00
  10   -0.463293E-07    0.600777E+03  0.771156E-10 0.109000E-04    0.726043E-01
  11    0.294713E-07    0.586381E+03 -0.502597E-10 0.100000E-04    0.889235E+00
  12   -0.111422E-05    0.578883E+03  0.192477E-08 0.100000E-04    0.947278E+00
  13    0.504892E-07    0.565002E+03 -0.893612E-10 0.100000E-04    0.941644E+00
  14    0.471728E-06    0.487462E+03 -0.967723E-09 0.100000E-04    0.936845E+00
  15   -0.465056E-06    0.460639E+03  0.100959E-08 0.100000E-04    0.944944E+00
  16   -0.141462E-06    0.459785E+03  0.307670E-09 0.100000E-04    0.801607E+00
  17   -0.626776E-06    0.441679E+03  0.141908E-08 0.100000E-04    0.910665E+00
  18   -0.456780E-06    0.429353E+03  0.106388E-08 0.100000E-04    0.940307E+00
  19   -0.120599E-06    0.421919E+03  0.285834E-09 0.100000E-04    0.781998E+00
  20   -0.417417E-06    0.407982E+03  0.102313E-08 0.100000E-04    0.928902E+00
  21   -0.467499E-06    0.396350E+03  0.117951E-08 0.100000E-04    0.925985E+00
  22   -0.673137E-06    0.387501E+03  0.173712E-08 0.100000E-04    0.992009E+00
  23    0.887579E-06    0.370019E+03 -0.239874E-08 0.100000E-04    0.929102E+00
  24   -0.459532E-06    0.360564E+03  0.127448E-08 0.100000E-04    0.978994E+00
  25   -0.509805E-07    0.349362E+03  0.145925E-09 0.100000E-04    0.594176E+00
  26   -0.340624E-07    0.335283E+03  0.101593E-09 0.100000E-04    0.410575E+00
  27    0.403354E-06    0.329284E+03 -0.122494E-08 0.100000E-04    0.894803E+00
  28   -0.425330E-06    0.321836E+03  0.132158E-08 0.100000E-04    0.904866E+00
  29   -0.117176E-06    0.319111E+03  0.367194E-09 0.109000E-04    0.393049E-01
  30   -0.145320E-05    0.309420E+03  0.469652E-08 0.100000E-04    0.966824E+00
  31   -0.109814E-05    0.300831E+03  0.365035E-08 0.100000E-04    0.959341E+00
  32   -0.130556E-05    0.290600E+03  0.449265E-08 0.100000E-04    0.972499E+00
  33   -0.466502E-07    0.278961E+03  0.167228E-09 0.100000E-04    0.808524E+01
  34   -0.240466E-07    0.272725E+03  0.881717E-10 0.100000E-04    0.359442E+00
  35    0.110661E-05    0.268532E+03 -0.412097E-08 0.100000E-04    0.973536E+00
  36    0.133020E-05    0.264946E+03 -0.502063E-08 0.100000E-04    0.983869E+00
  37   -0.537564E-06    0.263821E+03  0.203761E-08 0.100000E-04    0.899755E+00
  38   -0.153370E-06    0.253230E+03  0.605653E-09 0.100000E-04    0.984983E+00
  39   -0.321784E-06    0.241567E+03  0.133207E-08 0.100000E-04    0.903586E+00
  40   -0.134958E-05    0.240764E+03  0.560542E-08 0.100000E-04    0.987308E+00
  41   -0.103663E-05    0.233994E+03  0.443014E-08 0.100000E-04    0.995215E+00
  42   -0.182028E-05    0.227512E+03  0.800081E-08 0.100000E-04    0.968934E+00
  43   -0.385586E-07    0.217117E+03  0.177594E-09 0.100000E-04    0.952829E+00
  44   -0.211054E-05    0.214889E+03  0.982154E-08 0.100000E-04    0.970807E+00
  45    0.708009E-06    0.213267E+03 -0.331982E-08 0.100000E-04    0.984725E+00
  46    0.113226E-05    0.207665E+03 -0.545237E-08 0.100000E-04    0.983089E+00
  47   -0.805990E-06    0.203009E+03  0.397023E-08 0.100000E-04    0.967825E+00
  48   -0.128824E-05    0.195452E+03  0.659107E-08 0.100000E-04    0.934967E+00
  49    0.100814E-05    0.194833E+03 -0.517441E-08 0.100000E-04    0.952472E+00
  50    0.146172E-05    0.191351E+03 -0.763892E-08 0.100000E-04    0.886863E+00
  51    0.249652E-06    0.182942E+03 -0.136465E-08 0.100000E-04    0.869678E+00
  52    0.634977E-06    0.174340E+03 -0.364217E-08 0.100000E-04    0.935281E+00
  53    0.758215E-07    0.172331E+03 -0.439975E-09 0.100000E-04    0.779304E+00
  54   -0.222619E-06    0.168209E+03  0.132347E-08 0.100000E-04    0.946776E+00
  55    0.886184E-06    0.163229E+03 -0.542907E-08 0.100000E-04    0.995091E+00
  56    0.142597E-05    0.156879E+03 -0.908961E-08 0.100000E-04    0.974033E+00
  57   -0.421322E-06    0.154900E+03  0.271997E-08 0.100000E-04    0.829344E+00
  58    0.938559E-06    0.152259E+03 -0.616421E-08 0.100000E-04    0.998846E+00
  59    0.677537E-06    0.146680E+03 -0.461917E-08 0.100000E-04    0.998214E+00
  60   -0.241674E-06    0.143357E+03  0.168582E-08 0.100000E-04    0.715853E+00
  61   -0.108709E-05    0.138081E+03  0.787289E-08 0.100000E-04    0.821377E+00
  62   -0.995353E-06    0.135873E+03  0.732560E-08 0.100000E-04    0.974321E+00
  63   -0.220125E-05    0.130297E+03  0.168940E-07 0.100000E-04    0.922112E+00
  64    0.158021E-06    0.128835E+03 -0.122654E-08 0.100000E-04    0.419397E+00
  65   -0.146240E-05    0.126894E+03  0.115246E-07 0.100000E-04    0.888497E+00
  66    0.685917E-06    0.124100E+03 -0.552713E-08 0.100000E-04    0.883252E+00
  67    0.197185E-05    0.120007E+03 -0.164311E-07 0.100000E-04    0.963152E+00
  68    0.482177E-06    0.118164E+03 -0.408056E-08 0.100000E-04    0.933607E+00
  69    0.879177E-07    0.116848E+03 -0.752413E-09 0.100000E-04    0.721097E+00
  70    0.144887E-05    0.110357E+03 -0.131289E-07 0.100000E-04    0.947876E+00
  71   -0.745546E-06    0.106830E+03  0.697879E-08 0.100000E-04    0.923471E+00
  72   -0.956716E-06    0.104448E+03  0.915974E-08 0.100000E-04    0.883653E+00
  73    0.205025E-06    0.102854E+03 -0.199337E-08 0.100000E-04    0.744996E+00
  74    0.379358E-07    0.995140E+02 -0.381211E-09 0.100000E-04    0.476841E+00
  75    0.113212E-06    0.960951E+02 -0.117812E-08 0.100000E-04    0.478012E+00
  76    0.258408E-06    0.941086E+02 -0.274585E-08 0.100000E-04    0.872254E+00
  77   -0.150784E-05    0.919782E+02  0.163934E-07 0.100000E-04    0.964466E+00
  78   -0.902493E-06    0.912262E+02  0.989291E-08 0.100000E-04    0.974306E+00
  79    0.721579E-06    0.884311E+02 -0.815979E-08 0.100000E-04    0.988141E+00
  80    0.525943E-06    0.856019E+02 -0.614406E-08 0.100000E-04    0.915003E+00
  81   -0.132844E-05    0.808330E+02  0.164344E-07 0.100000E-04    0.992860E+00
  82    0.135038E-05    0.804859E+02 -0.167778E-07 0.100000E-04    0.937887E+00
  83   -0.271509E-06    0.779619E+02  0.348259E-08 0.100000E-04    0.851851E+00
  84    0.545918E-06    0.732899E+02 -0.744875E-08 0.100000E-04    0.442360E+00
  85    0.226465E-05    0.725695E+02 -0.312067E-07 0.100000E-04    0.891340E+00
  86    0.678427E-06    0.679244E+02 -0.998798E-08 0.100000E-04    0.852966E+00
  87    0.104486E-05    0.647644E+02 -0.161333E-07 0.100000E-04    0.792936E+00
  88    0.131733E-05    0.613604E+02 -0.214687E-07 0.100000E-04    0.974804E+00
  89   -0.223392E-05    0.598421E+02  0.373302E-07 0.100000E-04    0.945611E+00
  90    0.224591E-05    0.593982E+02 -0.378111E-07 0.100000E-04    0.979692E+00
  91   -0.318632E-05    0.581374E+02  0.548067E-07 0.100000E-04    0.929052E+00
  92   -0.375435E-05    0.558795E+02  0.671864E-07 0.100000E-04    0.953050E+00
  93   -0.339174E-05    0.524483E+02  0.646683E-07 0.100000E-04    0.985065E+00
  94   -0.634919E-06    0.520384E+02  0.122010E-07 0.100000E-04    0.870312E+00
  95    0.213298E-05    0.502277E+02 -0.424662E-07 0.100000E-04    0.879999E+00
  96    0.131223E-05    0.461678E+02 -0.284231E-07 0.100000E-04    0.929040E+00
  97    0.361059E-05    0.433279E+02 -0.833318E-07 0.100000E-04    0.889501E+00
  98   -0.780177E-06    0.409139E+02  0.190688E-07 0.100000E-04    0.572538E+00
  99    0.229379E-05    0.378690E+02 -0.605717E-07 0.100000E-04    0.795215E+00
 100    0.174350E-05    0.362157E+02 -0.481421E-07 0.100000E-04    0.892678E+00
 101   -0.115140E-04    0.322770E+02  0.356724E-06 0.100000E-04    0.945203E+00
 102   -0.279940E-06    0.288943E+02  0.968842E-08 0.105107E-04    0.363966E+01
 103    0.272104E-05    0.284513E+02 -0.956385E-07 0.100000E-04    0.962066E+00
 104   -0.154135E-05    0.262929E+02  0.586225E-07 0.100000E-04    0.859357E+00
 105    0.648964E-05    0.233351E+02 -0.278107E-06 0.100000E-04    0.932419E+00
 106    0.576330E-05    0.213217E+02 -0.270302E-06 0.100000E-04    0.965266E+00
 107    0.222900E-04    0.198561E+02 -0.112258E-05 0.100000E-04    0.924886E+00
 108    0.250649E-04    0.164580E+02 -0.152296E-05 0.100000E-04    0.935776E+00
 109    0.616198E-05    0.139074E+02 -0.443073E-06 0.100000E-04    0.955092E+00
 110   -0.108348E-04    0.122429E+02  0.884987E-06 0.100000E-04    0.849303E+00
 111   -0.559543E-06    0.100919E+02  0.554448E-07 0.100000E-04    0.234176E+02
 112    0.335287E-01    0.902892E+01 -0.100000E-04 0.100000E-04    0.647035E+00
 113    0.931139E-01    0.574295E+01 -0.211266E-04 0.211266E-04    0.215212E+00
 114    0.913305E+00    0.317604E+01  0.100000E-04 0.100000E-04    0.838342E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2112662813E-04    0.2670526816    

 Beginning of optimization cycle  584.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2996010013
 potential> RMS force:                                               0.0860411280   |gradient|=.9186678561    
 Eigenvalues of the Hessian matrix:
   746.58834    674.08549    630.62033    600.77504    586.38090    578.88350 
   564.99788    487.46159    460.63808    459.78465    441.67845    429.35428 
   421.91836    407.98076    396.34928    387.49983    370.01972    360.56437 
   349.36110    335.28342    329.28449    321.83559    319.11142    309.41907 
   300.83036    290.59968    278.96204    272.72558    268.53266    264.94647 
   263.82188    253.22946    241.56752    240.76467    233.99493    227.51223 
   217.11772    214.88895    213.26710    207.66513    203.00811    195.45118 
   194.83312    191.35192    182.94292    174.34106    172.33173    168.20951 
   163.22914    156.87911    154.90012    152.25932    146.67892    143.35645 
   138.08127    135.87318    130.29712    128.83506    126.89410    124.09894 
   120.00739    118.16458    116.84727    110.35752    106.83002    104.44821 
   102.85381     99.51397     96.09494     94.10834     91.97776     91.22642 
    88.43062     85.60218     80.83307     80.48656     77.96164     73.28969 
    72.56895     67.92407     64.76388     61.35993     59.84192     59.39829 
    58.13734     55.87933     52.44818     52.03803     50.22825     46.16736 
    43.32843     40.91397     37.86893     36.21543     32.27658     28.89463 
    28.45138     26.29316     23.33499     21.32196     19.85600     16.45792 
    13.90743     12.24295     10.09182      9.03043      5.74314      3.17576 
overlap for current and previous eigenvector    109 is         0.9999999891
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999755
overlap for current and previous eigenvector    112 is         0.9999999383
overlap for current and previous eigenvector    113 is         0.9999999299
overlap for current and previous eigenvector    114 is         0.9999999661
J1,K1,R1,R2,RAT=   7   7   -0.1066651927E-01     2.010655852        0.9893334807    
FOB,PFOB,DIAG,PSTEP=   -0.1746621023E-06   -0.1728187183E-06     746.5883376        0.2314791583E-09
J1,K1,R1,R2,RAT=   8   8    0.5244482143E-01     1.947558806        0.9475551786    
FOB,PFOB,DIAG,PSTEP=   -0.4111122403E-06   -0.4338662363E-06     674.0854900        0.6436356453E-09
J1,K1,R1,R2,RAT=   9   9    0.5636829414E-01     1.943622077        0.9436220767    
FOB,PFOB,DIAG,PSTEP=   -0.7355743911E-06   -0.7795145055E-06     630.6203265        0.1236113436E-08
J1,K1,R1,R2,RAT=  10  10    0.5980522066         1.401955661        0.4019477934    
FOB,PFOB,DIAG,PSTEP=   -0.1862207749E-07   -0.4632932135E-07     600.7750432        0.7711561859E-10
J1,K1,R1,R2,RAT=  11  11    0.1584432304         1.841558705        0.8415567696    
FOB,PFOB,DIAG,PSTEP=    0.2480180838E-07    0.2947133784E-07     586.3809040       -0.5025966760E-10
J1,K1,R1,R2,RAT= 109 109    0.4935186179E-01     1.950639672        0.9506396722    
FOB,PFOB,DIAG,PSTEP=    0.5857874054E-05    0.6161980554E-05     13.90743337       -0.4430728859E-06
J1,K1,R1,R2,RAT= 110 110    0.1555300434         1.844467128        0.8444671277    
FOB,PFOB,DIAG,PSTEP=   -0.9149692046E-05   -0.1083483712E-04     12.24294784        0.8849872257E-06
J1,K1,R1,R2,RAT= 111 111    0.9274717480         1.072543341        0.7252825203E-01
FOB,PFOB,DIAG,PSTEP=   -0.4058655782E-07   -0.5595425414E-06     10.09181732        0.5544475314E-07
J1,K1,R1,R2,RAT= 112 112    0.3927299335         742.1794354        0.6072700665    
FOB,PFOB,DIAG,PSTEP=    0.3349327354E-01    0.3352873876E-01     9.030432413       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8399751409         1535.687192        0.1600248591    
FOB,PFOB,DIAG,PSTEP=    0.9321580748E-01    0.9311389069E-01     5.743136390       -0.2112662813E-04
J1,K1,R1,R2,RAT= 114 114    0.2198626075        -57517.59227        0.7801373925    
FOB,PFOB,DIAG,PSTEP=    0.9133124560        0.9133054737         3.175755204        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03349      0.09322      0.91331 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3828612501
 Log product of positive Hessian eigenvalues =          519.0700460249
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1757552037
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000034
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000065
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000154
 Unscaled step for mode   64=       -0.0000000004
 Unscaled step for mode   65=        0.0000000102
 Unscaled step for mode   66=       -0.0000000049
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=        0.0000000106
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=       -0.0000000027
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=       -0.0000000171
 Unscaled step for mode   78=       -0.0000000095
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000056
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=       -0.0000000156
 Unscaled step for mode   83=        0.0000000042
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000276
 Unscaled step for mode   86=       -0.0000000084
 Unscaled step for mode   87=       -0.0000000128
 Unscaled step for mode   88=       -0.0000000220
 Unscaled step for mode   89=        0.0000000351
 Unscaled step for mode   90=       -0.0000000368
 Unscaled step for mode   91=        0.0000000501
 Unscaled step for mode   92=        0.0000000634
 Unscaled step for mode   93=        0.0000000633
 Unscaled step for mode   94=        0.0000000142
 Unscaled step for mode   95=       -0.0000000372
 Unscaled step for mode   96=       -0.0000000259
 Unscaled step for mode   97=       -0.0000000733
 Unscaled step for mode   98=        0.0000000125
 Unscaled step for mode   99=       -0.0000000485
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=        0.0000003332
 Unscaled step for mode  102=       -0.0000000001
 Unscaled step for mode  103=       -0.0000000915
 Unscaled step for mode  104=        0.0000000709
 Unscaled step for mode  105=       -0.0000002564
 Unscaled step for mode  106=       -0.0000002588
 Unscaled step for mode  107=       -0.0000010262
 Unscaled step for mode  108=       -0.0000014096
 Unscaled step for mode  109=       -0.0000004212
 Unscaled step for mode  110=        0.0000007473
 Unscaled step for mode  111=        0.0000000040
 Unscaled step for mode  112=       -0.0037088825
 Unscaled step for mode  113=       -0.0162265455
 Unscaled step for mode  114=        0.2670755241
 Largest modulus ratio of non-zero e/values=           235.0900147    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.459485E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.126033E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.159608E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.852508E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.756014E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.353699E-14    0.974294E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174662E-06    0.746588E+03  0.233947E-09 0.100000E-04    0.989333E+00
   8   -0.411112E-06    0.674085E+03  0.609881E-09 0.100000E-04    0.947555E+00
   9   -0.735574E-06    0.630620E+03  0.116643E-08 0.100000E-04    0.943622E+00
  10   -0.186221E-07    0.600775E+03  0.309968E-10 0.100000E-04    0.401948E+00
  11    0.248018E-07    0.586381E+03 -0.422964E-10 0.100000E-04    0.841557E+00
  12   -0.104768E-05    0.578883E+03  0.180983E-08 0.100000E-04    0.940286E+00
  13    0.539083E-07    0.564998E+03 -0.954132E-10 0.100000E-04    0.932281E+00
  14    0.439308E-06    0.487462E+03 -0.901216E-09 0.100000E-04    0.931274E+00
  15   -0.435629E-06    0.460638E+03  0.945707E-09 0.100000E-04    0.936723E+00
  16   -0.113612E-06    0.459785E+03  0.247098E-09 0.100000E-04    0.803127E+00
  17   -0.566561E-06    0.441678E+03  0.128275E-08 0.100000E-04    0.903929E+00
  18   -0.425148E-06    0.429354E+03  0.990202E-09 0.100000E-04    0.930744E+00
  19   -0.159924E-06    0.421918E+03  0.379040E-09 0.100000E-04    0.673919E+00
  20   -0.384191E-06    0.407981E+03  0.941689E-09 0.100000E-04    0.920399E+00
  21   -0.428967E-06    0.396349E+03  0.108230E-08 0.100000E-04    0.917580E+00
  22   -0.664797E-06    0.387500E+03  0.171561E-08 0.100000E-04    0.987612E+00
  23    0.817654E-06    0.370020E+03 -0.220976E-08 0.100000E-04    0.921216E+00
  24   -0.447626E-06    0.360564E+03  0.124146E-08 0.100000E-04    0.974092E+00
  25   -0.912912E-07    0.349361E+03  0.261309E-09 0.100000E-04    0.209291E+00
  26   -0.932431E-07    0.335283E+03  0.278102E-09 0.100000E-04    0.737417E+00
  27    0.356641E-06    0.329284E+03 -0.108308E-08 0.100000E-04    0.884185E+00
  28   -0.379818E-06    0.321836E+03  0.118016E-08 0.100000E-04    0.892995E+00
  29   -0.423595E-07    0.319111E+03  0.132742E-09 0.100000E-04    0.361502E+00
  30   -0.139133E-05    0.309419E+03  0.449657E-08 0.100000E-04    0.957423E+00
  31   -0.104593E-05    0.300830E+03  0.347682E-08 0.100000E-04    0.952460E+00
  32   -0.126095E-05    0.290600E+03  0.433911E-08 0.100000E-04    0.965825E+00
  33    0.377728E-08    0.278962E+03 -0.135405E-10 0.109000E-04    0.809648E-01
  34   -0.763803E-07    0.272726E+03  0.280063E-09 0.100000E-04    0.117634E+01
  35    0.106872E-05    0.268533E+03 -0.397985E-08 0.100000E-04    0.965756E+00
  36    0.130288E-05    0.264946E+03 -0.491751E-08 0.100000E-04    0.979460E+00
  37   -0.479884E-06    0.263822E+03  0.181897E-08 0.100000E-04    0.892697E+00
  38   -0.155601E-06    0.253229E+03  0.614466E-09 0.100000E-04    0.985451E+00
  39   -0.365356E-06    0.241568E+03  0.151244E-08 0.100000E-04    0.864591E+00
  40   -0.132706E-05    0.240765E+03  0.551187E-08 0.100000E-04    0.983309E+00
  41   -0.104251E-05    0.233995E+03  0.445529E-08 0.100000E-04    0.994322E+00
  42   -0.174813E-05    0.227512E+03  0.768369E-08 0.100000E-04    0.960363E+00
  43   -0.345007E-07    0.217118E+03  0.158903E-09 0.100000E-04    0.894754E+00
  44   -0.203625E-05    0.214889E+03  0.947583E-08 0.100000E-04    0.964800E+00
  45    0.718540E-06    0.213267E+03 -0.336920E-08 0.100000E-04    0.985125E+00
  46    0.111087E-05    0.207665E+03 -0.534936E-08 0.100000E-04    0.981105E+00
  47   -0.776248E-06    0.203008E+03  0.382373E-08 0.100000E-04    0.963098E+00
  48   -0.119000E-05    0.195451E+03  0.608846E-08 0.100000E-04    0.923740E+00
  49    0.954595E-06    0.194833E+03 -0.489955E-08 0.100000E-04    0.946880E+00
  50    0.128256E-05    0.191352E+03 -0.670264E-08 0.100000E-04    0.877431E+00
  51    0.214744E-06    0.182943E+03 -0.117383E-08 0.100000E-04    0.860167E+00
  52    0.586881E-06    0.174341E+03 -0.336628E-08 0.100000E-04    0.924248E+00
  53    0.102643E-06    0.172332E+03 -0.595612E-09 0.100000E-04    0.646257E+00
  54   -0.236596E-06    0.168210E+03  0.140655E-08 0.100000E-04    0.937218E+00
  55    0.886448E-06    0.163229E+03 -0.543070E-08 0.100000E-04    0.999701E+00
  56    0.138186E-05    0.156879E+03 -0.880843E-08 0.100000E-04    0.969063E+00
  57   -0.350492E-06    0.154900E+03  0.226270E-08 0.100000E-04    0.831882E+00
  58    0.936621E-06    0.152259E+03 -0.615148E-08 0.100000E-04    0.997935E+00
  59    0.673292E-06    0.146679E+03 -0.459025E-08 0.100000E-04    0.993735E+00
  60   -0.179715E-06    0.143356E+03  0.125362E-08 0.100000E-04    0.743627E+00
  61   -0.891401E-06    0.138081E+03  0.645562E-08 0.100000E-04    0.819978E+00
  62   -0.962594E-06    0.135873E+03  0.708450E-08 0.100000E-04    0.967087E+00
  63   -0.200833E-05    0.130297E+03  0.154135E-07 0.100000E-04    0.912359E+00
  64    0.462995E-07    0.128835E+03 -0.359370E-09 0.100000E-04    0.292993E+00
  65   -0.128932E-05    0.126894E+03  0.101606E-07 0.100000E-04    0.881643E+00
  66    0.603181E-06    0.124099E+03 -0.486049E-08 0.100000E-04    0.879378E+00
  67    0.188532E-05    0.120007E+03 -0.157100E-07 0.100000E-04    0.956115E+00
  68    0.446236E-06    0.118165E+03 -0.377640E-08 0.100000E-04    0.925459E+00
  69    0.260845E-07    0.116847E+03 -0.223236E-09 0.100000E-04    0.296690E+00
  70    0.136183E-05    0.110358E+03 -0.123401E-07 0.100000E-04    0.939919E+00
  71   -0.682653E-06    0.106830E+03  0.639009E-08 0.100000E-04    0.915642E+00
  72   -0.110557E-05    0.104448E+03  0.105849E-07 0.100000E-04    0.844410E+00
  73    0.155343E-06    0.102854E+03 -0.151033E-08 0.100000E-04    0.757677E+00
  74    0.852168E-07    0.995140E+02 -0.856330E-09 0.100000E-04    0.246342E+00
  75    0.256293E-06    0.960949E+02 -0.266708E-08 0.100000E-04    0.263839E+00
  76    0.222037E-06    0.941083E+02 -0.235937E-08 0.100000E-04    0.859247E+00
  77    0.157077E-05    0.919778E+02 -0.170777E-07 0.100000E-04    0.958266E+00
  78    0.870850E-06    0.912264E+02 -0.954603E-08 0.100000E-04    0.964934E+00
  79    0.708267E-06    0.884306E+02 -0.800929E-08 0.100000E-04    0.981551E+00
  80    0.478641E-06    0.856022E+02 -0.559146E-08 0.100000E-04    0.910056E+00
  81   -0.131317E-05    0.808331E+02  0.162454E-07 0.100000E-04    0.988501E+00
  82    0.125511E-05    0.804866E+02 -0.155940E-07 0.100000E-04    0.929437E+00
  83   -0.325984E-06    0.779616E+02  0.418134E-08 0.100000E-04    0.799361E+00
  84    0.313694E-06    0.732897E+02 -0.428019E-08 0.100000E-04    0.574616E+00
  85    0.200635E-05    0.725690E+02 -0.276475E-07 0.100000E-04    0.885939E+00
  86    0.572230E-06    0.679241E+02 -0.842455E-08 0.100000E-04    0.843465E+00
  87    0.827219E-06    0.647639E+02 -0.127728E-07 0.100000E-04    0.791699E+00
  88    0.134929E-05    0.613599E+02 -0.219898E-07 0.100000E-04    0.975736E+00
  89   -0.209810E-05    0.598419E+02  0.350607E-07 0.100000E-04    0.939200E+00
  90    0.218643E-05    0.593983E+02 -0.368096E-07 0.100000E-04    0.973512E+00
  91   -0.291061E-05    0.581373E+02  0.500644E-07 0.100000E-04    0.913470E+00
  92   -0.354242E-05    0.558793E+02  0.633940E-07 0.100000E-04    0.943550E+00
  93   -0.331880E-05    0.524482E+02  0.632776E-07 0.100000E-04    0.978493E+00
  94   -0.739204E-06    0.520380E+02  0.142051E-07 0.100000E-04    0.835749E+00
  95    0.187053E-05    0.502283E+02 -0.372407E-07 0.100000E-04    0.876938E+00
  96    0.119604E-05    0.461674E+02 -0.259066E-07 0.100000E-04    0.911457E+00
  97    0.317747E-05    0.433284E+02 -0.733345E-07 0.100000E-04    0.880017E+00
  98   -0.512805E-06    0.409140E+02  0.125337E-07 0.100000E-04    0.657289E+00
  99    0.183699E-05    0.378689E+02 -0.485091E-07 0.100000E-04    0.800852E+00
 100    0.154175E-05    0.362154E+02 -0.425717E-07 0.100000E-04    0.884285E+00
 101   -0.107541E-04    0.322766E+02  0.333187E-06 0.100000E-04    0.934008E+00
 102    0.215091E-08    0.288946E+02 -0.744397E-10 0.114567E-04    0.767178E-02
 103    0.260315E-05    0.284514E+02 -0.914947E-07 0.100000E-04    0.956670E+00
 104   -0.186299E-05    0.262932E+02  0.708544E-07 0.100000E-04    0.791334E+00
 105    0.598376E-05    0.233350E+02 -0.256429E-06 0.100000E-04    0.922047E+00
 106    0.551712E-05    0.213220E+02 -0.258753E-06 0.100000E-04    0.957263E+00
 107    0.203768E-04    0.198560E+02 -0.102623E-05 0.100000E-04    0.914166E+00
 108    0.231995E-04    0.164579E+02 -0.140963E-05 0.100000E-04    0.925579E+00
 109    0.585787E-05    0.139074E+02 -0.421205E-06 0.100000E-04    0.950640E+00
 110   -0.914969E-05    0.122429E+02  0.747344E-06 0.100000E-04    0.844467E+00
 111   -0.405866E-07    0.100918E+02  0.402173E-08 0.109000E-04    0.725283E-01
 112    0.334933E-01    0.903043E+01 -0.100000E-04 0.100000E-04    0.607270E+00
 113    0.932158E-01    0.574314E+01 -0.230280E-04 0.230280E-04    0.160025E+00
 114    0.913312E+00    0.317576E+01  0.100000E-04 0.100000E-04    0.780137E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2302802467E-04    0.2670755241    

 Beginning of optimization cycle  585.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995943476
 potential> RMS force:                                               0.0860425199   |gradient|=.9186827182    
 Eigenvalues of the Hessian matrix:
   746.59241    674.08406    630.62347    600.77270    586.38027    578.88379 
   564.99366    487.46118    460.63670    459.78407    441.67779    429.35569 
   421.91773    407.97903    396.34869    387.49834    370.02021    360.56456 
   349.36036    335.28411    329.28542    321.83532    319.11216    309.41786 
   300.82977    290.59975    278.96361    272.72606    268.53293    264.94682 
   263.82258    253.22885    241.56783    240.76514    233.99577    227.51260 
   217.11848    214.88909    213.26679    207.66565    203.00767    195.45034 
   194.83353    191.35241    182.94370    174.34184    172.33197    168.20981 
   163.22879    156.87888    154.90066    152.25913    146.67827    143.35602 
   138.08182    135.87318    130.29684    128.83529    126.89430    124.09776 
   120.00757    118.16472    116.84681    110.35778    106.82982    104.44844 
   102.85388     99.51390     96.09472     94.10810     91.97735     91.22666 
    88.43009     85.60251     80.83315     80.48728     77.96141     73.28945 
    72.56833     67.92375     64.76339     61.35944     59.84168     59.39839 
    58.13727     55.87909     52.44806     52.03762     50.22887     46.16691 
    43.32903     40.91408     37.86887     36.21504     32.27618     28.89497 
    28.45145     26.29345     23.33490     21.32219     19.85591     16.45781 
    13.90749     12.24297     10.09174      9.03203      5.74334      3.17546 
overlap for current and previous eigenvector    109 is         0.9999999876
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999710
overlap for current and previous eigenvector    112 is         0.9999999299
overlap for current and previous eigenvector    113 is         0.9999999223
overlap for current and previous eigenvector    114 is         0.9999999620
J1,K1,R1,R2,RAT=   7   7    0.3357051293E-02     1.996632035        0.9966320354    
FOB,PFOB,DIAG,PSTEP=   -0.1740757495E-06   -0.1746621023E-06     746.5924115        0.2339470007E-09
J1,K1,R1,R2,RAT=   8   8   -0.4538017043E-01     2.045384424        0.9546198296    
FOB,PFOB,DIAG,PSTEP=   -0.4297685441E-06   -0.4111122403E-06     674.0840564        0.6098814562E-09
J1,K1,R1,R2,RAT=   9   9   -0.4826420063E-01     2.048254245        0.9517357994    
FOB,PFOB,DIAG,PSTEP=   -0.7710764778E-06   -0.7355743911E-06     630.6234657        0.1166429879E-08
J1,K1,R1,R2,RAT=  10  10    -1.266910908         3.266918722        0.2669109077    
FOB,PFOB,DIAG,PSTEP=   -0.4221449840E-07   -0.1862207749E-07     600.7726958        0.3099675610E-10
J1,K1,R1,R2,RAT=  11  11   -0.1136096204         2.113611791        0.8863903796    
FOB,PFOB,DIAG,PSTEP=    0.2761952936E-07    0.2480180838E-07     586.3802677       -0.4229641214E-10
J1,K1,R1,R2,RAT= 109 109   -0.4487146206E-01     2.044862807        0.9551285379    
FOB,PFOB,DIAG,PSTEP=    0.6120726565E-05    0.5857874054E-05     13.90749355       -0.4212045386E-06
J1,K1,R1,R2,RAT= 110 110   -0.1523765044         2.152373699        0.8476234956    
FOB,PFOB,DIAG,PSTEP=   -0.1054389209E-04   -0.9149692046E-05     12.24296501        0.7473438723E-06
J1,K1,R1,R2,RAT= 111 111    -13.27382198         15.27383666         12.27382198    
FOB,PFOB,DIAG,PSTEP=   -0.5793213471E-06   -0.4058655782E-07     10.09174324        0.4021729343E-08
J1,K1,R1,R2,RAT= 112 112    0.3606088596         741.2945179        0.6393911404    
FOB,PFOB,DIAG,PSTEP=    0.3346070323E-01    0.3349327354E-01     9.032034523       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7888578868         1410.396328        0.2111421132    
FOB,PFOB,DIAG,PSTEP=    0.9332014011E-01    0.9321580748E-01     5.743342067       -0.2302802467E-04
J1,K1,R1,R2,RAT= 114 114    0.1728439516        -57523.40381        0.8271560484    
FOB,PFOB,DIAG,PSTEP=    0.9133179446        0.9133124560         3.175456039        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03346      0.09332      0.91332 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3828411333
 Log product of positive Hessian eigenvalues =          519.0701308397
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1754560394
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000075
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000036
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000076
 Unscaled step for mode   62=        0.0000000073
 Unscaled step for mode   63=        0.0000000166
 Unscaled step for mode   64=       -0.0000000011
 Unscaled step for mode   65=        0.0000000113
 Unscaled step for mode   66=       -0.0000000054
 Unscaled step for mode   67=       -0.0000000163
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000130
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=        0.0000000094
 Unscaled step for mode   73=       -0.0000000019
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000014
 Unscaled step for mode   76=       -0.0000000027
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=       -0.0000000098
 Unscaled step for mode   79=       -0.0000000081
 Unscaled step for mode   80=       -0.0000000061
 Unscaled step for mode   81=        0.0000000164
 Unscaled step for mode   82=       -0.0000000166
 Unscaled step for mode   83=        0.0000000036
 Unscaled step for mode   84=       -0.0000000069
 Unscaled step for mode   85=       -0.0000000307
 Unscaled step for mode   86=       -0.0000000097
 Unscaled step for mode   87=       -0.0000000155
 Unscaled step for mode   88=       -0.0000000214
 Unscaled step for mode   89=        0.0000000370
 Unscaled step for mode   90=       -0.0000000376
 Unscaled step for mode   91=        0.0000000536
 Unscaled step for mode   92=        0.0000000663
 Unscaled step for mode   93=        0.0000000642
 Unscaled step for mode   94=        0.0000000124
 Unscaled step for mode   95=       -0.0000000417
 Unscaled step for mode   96=       -0.0000000277
 Unscaled step for mode   97=       -0.0000000815
 Unscaled step for mode   98=        0.0000000182
 Unscaled step for mode   99=       -0.0000000586
 Unscaled step for mode  100=       -0.0000000471
 Unscaled step for mode  101=        0.0000003512
 Unscaled step for mode  102=        0.0000000077
 Unscaled step for mode  103=       -0.0000000949
 Unscaled step for mode  104=        0.0000000616
 Unscaled step for mode  105=       -0.0000002736
 Unscaled step for mode  106=       -0.0000002676
 Unscaled step for mode  107=       -0.0000011026
 Unscaled step for mode  108=       -0.0000014993
 Unscaled step for mode  109=       -0.0000004401
 Unscaled step for mode  110=        0.0000008612
 Unscaled step for mode  111=        0.0000000574
 Unscaled step for mode  112=       -0.0037046187
 Unscaled step for mode  113=       -0.0162441161
 Unscaled step for mode  114=        0.2670987261
 Largest modulus ratio of non-zero e/values=           235.1134458    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.885576E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.150672E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.225406E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.235380E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.256938E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.323926E-14    0.974295E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174076E-06    0.746592E+03  0.233160E-09 0.100000E-04    0.996632E+00
   8   -0.429769E-06    0.674084E+03  0.637559E-09 0.100000E-04    0.954620E+00
   9   -0.771076E-06    0.630623E+03  0.122272E-08 0.100000E-04    0.951736E+00
  10   -0.422145E-07    0.600773E+03  0.702670E-10 0.100000E-04    0.266911E+00
  11    0.276195E-07    0.586380E+03 -0.471017E-10 0.100000E-04    0.886390E+00
  12   -0.110252E-05    0.578884E+03  0.190456E-08 0.100000E-04    0.947658E+00
  13    0.508243E-07    0.564994E+03 -0.899555E-10 0.100000E-04    0.942792E+00
  14    0.466849E-06    0.487461E+03 -0.957715E-09 0.100000E-04    0.937309E+00
  15   -0.459469E-06    0.460637E+03  0.997465E-09 0.100000E-04    0.945274E+00
  16   -0.136604E-06    0.459784E+03  0.297106E-09 0.100000E-04    0.797623E+00
  17   -0.617019E-06    0.441678E+03  0.139699E-08 0.100000E-04    0.910939E+00
  18   -0.450506E-06    0.429356E+03  0.104926E-08 0.100000E-04    0.940355E+00
  19   -0.126907E-06    0.421918E+03  0.300787E-09 0.100000E-04    0.793547E+00
  20   -0.411380E-06    0.407979E+03  0.100834E-08 0.100000E-04    0.929228E+00
  21   -0.460680E-06    0.396349E+03  0.116231E-08 0.100000E-04    0.926072E+00
  22   -0.669986E-06    0.387498E+03  0.172900E-08 0.100000E-04    0.992195E+00
  23    0.875438E-06    0.370020E+03 -0.236592E-08 0.100000E-04    0.929330E+00
  24   -0.456972E-06    0.360565E+03  0.126738E-08 0.100000E-04    0.979123E+00
  25   -0.569423E-07    0.349360E+03  0.162990E-09 0.100000E-04    0.623743E+00
  26   -0.455921E-07    0.335284E+03  0.135981E-09 0.100000E-04    0.488956E+00
  27    0.394097E-06    0.329285E+03 -0.119682E-08 0.100000E-04    0.894977E+00
  28   -0.415993E-06    0.321835E+03  0.129256E-08 0.100000E-04    0.904758E+00
  29   -0.100609E-06    0.319112E+03  0.315277E-09 0.100000E-04    0.375114E+00
  30   -0.143636E-05    0.309418E+03  0.464213E-08 0.100000E-04    0.967632E+00
  31   -0.108786E-05    0.300830E+03  0.361620E-08 0.100000E-04    0.959914E+00
  32   -0.129497E-05    0.290600E+03  0.445619E-08 0.100000E-04    0.973018E+00
  33   -0.373621E-07    0.278964E+03  0.133932E-09 0.100000E-04    0.789122E+01
  34   -0.345145E-07    0.272726E+03  0.126554E-09 0.100000E-04    0.451875E+00
  35    0.109659E-05    0.268533E+03 -0.408365E-08 0.100000E-04    0.973919E+00
  36    0.132337E-05    0.264947E+03 -0.499486E-08 0.100000E-04    0.984270E+00
  37   -0.527995E-06    0.263823E+03  0.200133E-08 0.100000E-04    0.899743E+00
  38   -0.153385E-06    0.253229E+03  0.605718E-09 0.100000E-04    0.985760E+00
  39   -0.331765E-06    0.241568E+03  0.137338E-08 0.100000E-04    0.908056E+00
  40   -0.134349E-05    0.240765E+03  0.558008E-08 0.100000E-04    0.987623E+00
  41   -0.103778E-05    0.233996E+03  0.443505E-08 0.100000E-04    0.995455E+00
  42   -0.180142E-05    0.227513E+03  0.791789E-08 0.100000E-04    0.969518E+00
  43   -0.362299E-07    0.217118E+03  0.166867E-09 0.100000E-04    0.949881E+00
  44   -0.209488E-05    0.214889E+03  0.974868E-08 0.100000E-04    0.971205E+00
  45    0.707601E-06    0.213267E+03 -0.331791E-08 0.100000E-04    0.984776E+00
  46    0.112952E-05    0.207666E+03 -0.543911E-08 0.100000E-04    0.983219E+00
  47   -0.800866E-06    0.203008E+03  0.394500E-08 0.100000E-04    0.968286E+00
  48   -0.126701E-05    0.195450E+03  0.648252E-08 0.100000E-04    0.935282E+00
  49    0.999473E-06    0.194834E+03 -0.512988E-08 0.100000E-04    0.952987E+00
  50    0.142811E-05    0.191352E+03 -0.746324E-08 0.100000E-04    0.886519E+00
  51    0.242869E-06    0.182944E+03 -0.132756E-08 0.100000E-04    0.869030E+00
  52    0.624659E-06    0.174342E+03 -0.358296E-08 0.100000E-04    0.935630E+00
  53    0.813767E-07    0.172332E+03 -0.472209E-09 0.100000E-04    0.792811E+00
  54   -0.224151E-06    0.168210E+03  0.133257E-08 0.100000E-04    0.947398E+00
  55    0.881621E-06    0.163229E+03 -0.540114E-08 0.100000E-04    0.994555E+00
  56    0.141740E-05    0.156879E+03 -0.903501E-08 0.100000E-04    0.974278E+00
  57   -0.411047E-06    0.154901E+03  0.265362E-08 0.100000E-04    0.827230E+00
  58    0.934966E-06    0.152259E+03 -0.614063E-08 0.100000E-04    0.998234E+00
  59    0.674384E-06    0.146678E+03 -0.459771E-08 0.100000E-04    0.998378E+00
  60   -0.232651E-06    0.143356E+03  0.162289E-08 0.100000E-04    0.705445E+00
  61   -0.105313E-05    0.138082E+03  0.762685E-08 0.100000E-04    0.818569E+00
  62   -0.987159E-06    0.135873E+03  0.726530E-08 0.100000E-04    0.974480E+00
  63   -0.216386E-05    0.130297E+03  0.166072E-07 0.100000E-04    0.922556E+00
  64    0.137062E-06    0.128835E+03 -0.106386E-08 0.100000E-04    0.960335E+00
  65   -0.143356E-05    0.126894E+03  0.112973E-07 0.100000E-04    0.888129E+00
  66    0.673651E-06    0.124098E+03 -0.542839E-08 0.100000E-04    0.883169E+00
  67    0.195388E-05    0.120008E+03 -0.162813E-07 0.100000E-04    0.963637E+00
  68    0.475639E-06    0.118165E+03 -0.402522E-08 0.100000E-04    0.934110E+00
  69    0.811004E-07    0.116847E+03 -0.694074E-09 0.100000E-04    0.110915E+01
  70    0.143216E-05    0.110358E+03 -0.129774E-07 0.100000E-04    0.948356E+00
  71   -0.734809E-06    0.106830E+03  0.687831E-08 0.100000E-04    0.923598E+00
  72   -0.982274E-06    0.104448E+03  0.940439E-08 0.100000E-04    0.888472E+00
  73    0.196048E-06    0.102854E+03 -0.190608E-08 0.100000E-04    0.737970E+00
  74    0.439535E-07    0.995139E+02 -0.441682E-09 0.100000E-04    0.515784E+00
  75    0.134616E-06    0.960947E+02 -0.140086E-08 0.100000E-04    0.525241E+00
  76    0.250470E-06    0.941081E+02 -0.266152E-08 0.100000E-04    0.871941E+00
  77    0.151541E-05    0.919773E+02 -0.164759E-07 0.100000E-04    0.964760E+00
  78    0.892998E-06    0.912267E+02 -0.978878E-08 0.100000E-04    0.974568E+00
  79    0.716382E-06    0.884301E+02 -0.810111E-08 0.100000E-04    0.988542E+00
  80    0.519193E-06    0.856025E+02 -0.606516E-08 0.100000E-04    0.915278E+00
  81   -0.132201E-05    0.808331E+02  0.163547E-07 0.100000E-04    0.993271E+00
  82    0.133240E-05    0.804873E+02 -0.165541E-07 0.100000E-04    0.938424E+00
  83   -0.279726E-06    0.779614E+02  0.358800E-08 0.100000E-04    0.858095E+00
  84    0.505439E-06    0.732895E+02 -0.689648E-08 0.100000E-04    0.388747E+00
  85    0.222474E-05    0.725683E+02 -0.306572E-07 0.100000E-04    0.891146E+00
  86    0.657869E-06    0.679237E+02 -0.968541E-08 0.100000E-04    0.850340E+00
  87    0.100230E-05    0.647634E+02 -0.154764E-07 0.100000E-04    0.788345E+00
  88    0.131507E-05    0.613594E+02 -0.214322E-07 0.100000E-04    0.974636E+00
  89   -0.221137E-05    0.598417E+02  0.369537E-07 0.100000E-04    0.946010E+00
  90    0.223070E-05    0.593984E+02 -0.375550E-07 0.100000E-04    0.979750E+00
  91   -0.311528E-05    0.581373E+02  0.535849E-07 0.100000E-04    0.929682E+00
  92   -0.370650E-05    0.558791E+02  0.663308E-07 0.100000E-04    0.953679E+00
  93   -0.336640E-05    0.524481E+02  0.641855E-07 0.100000E-04    0.985655E+00
  94   -0.645778E-06    0.520376E+02  0.124098E-07 0.100000E-04    0.873612E+00
  95    0.209531E-05    0.502289E+02 -0.417152E-07 0.100000E-04    0.879837E+00
  96    0.127905E-05    0.461669E+02 -0.277050E-07 0.100000E-04    0.930592E+00
  97    0.353049E-05    0.433290E+02 -0.814809E-07 0.100000E-04    0.888901E+00
  98   -0.743885E-06    0.409141E+02  0.181816E-07 0.100000E-04    0.549383E+00
  99    0.221916E-05    0.378689E+02 -0.586013E-07 0.100000E-04    0.791954E+00
 100    0.170740E-05    0.362150E+02 -0.471462E-07 0.100000E-04    0.892558E+00
 101   -0.113350E-04    0.322762E+02  0.351189E-06 0.100000E-04    0.945983E+00
 102   -0.223125E-06    0.288950E+02  0.772193E-08 0.103214E-04    0.101734E+03
 103    0.270120E-05    0.284514E+02 -0.949407E-07 0.100000E-04    0.962334E+00
 104   -0.161997E-05    0.262934E+02  0.616112E-07 0.100000E-04    0.869536E+00
 105    0.638415E-05    0.233349E+02 -0.273588E-06 0.100000E-04    0.933087E+00
 106    0.570600E-05    0.213222E+02 -0.267609E-06 0.100000E-04    0.965766E+00
 107    0.218933E-04    0.198559E+02 -0.110261E-05 0.100000E-04    0.925575E+00
 108    0.246756E-04    0.164578E+02 -0.149933E-05 0.100000E-04    0.936373E+00
 109    0.612073E-05    0.139075E+02 -0.440103E-06 0.100000E-04    0.955129E+00
 110   -0.105439E-04    0.122430E+02  0.861220E-06 0.100000E-04    0.847623E+00
 111   -0.579321E-06    0.100917E+02  0.574055E-07 0.100000E-04    0.122738E+02
 112    0.334607E-01    0.903203E+01 -0.100000E-04 0.100000E-04    0.639391E+00
 113    0.933201E-01    0.574334E+01 -0.207460E-04 0.207460E-04    0.211142E+00
 114    0.913318E+00    0.317546E+01  0.100000E-04 0.100000E-04    0.827156E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2074596817E-04    0.2670987261    

 Beginning of optimization cycle  586.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995874832
 potential> RMS force:                                               0.0860440350   |gradient|=.9186988953    
 Eigenvalues of the Hessian matrix:
   746.59636    674.08286    630.62647    600.77034    586.37972    578.88408 
   564.98974    487.46088    460.63537    459.78351    441.67719    429.35691 
   421.91713    407.97741    396.34813    387.49690    370.02068    360.56471 
   349.35959    335.28474    329.28629    321.83511    319.11275    309.41671 
   300.82914    290.59980    278.96504    272.72651    268.53312    264.94715 
   263.82318    253.22822    241.56805    240.76559    233.99652    227.51289 
   217.11914    214.88924    213.26650    207.66613    203.00725    195.44952 
   194.83387    191.35288    182.94441    174.34255    172.33220    168.21008 
   163.22846    156.87865    154.90117    152.25895    146.67767    143.35564 
   138.08234    135.87318    130.29659    128.83550    126.89450    124.09666 
   120.00775    118.16486    116.84640    110.35802    106.82966    104.44869 
   102.85395     99.51383     96.09452     94.10789     91.97692     91.22687 
    88.42957     85.60280     80.83322     80.48795     77.96119     73.28926 
    72.56778     67.92348     64.76293     61.35895     59.84146     59.39850 
    58.13724     55.87888     52.44797     52.03726     50.22945     46.16650 
    43.32958     40.91420     37.86884     36.21474     32.27581     28.89530 
    28.45150     26.29371     23.33479     21.32244     19.85580     16.45771 
    13.90755     12.24298     10.09167      9.03353      5.74353      3.17517 
overlap for current and previous eigenvector    109 is         0.9999999893
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999759
overlap for current and previous eigenvector    112 is         0.9999999396
overlap for current and previous eigenvector    113 is         0.9999999318
overlap for current and previous eigenvector    114 is         0.9999999671
J1,K1,R1,R2,RAT=   7   7   -0.1057740213E-01     2.010566836        0.9894225979    
FOB,PFOB,DIAG,PSTEP=   -0.1759170284E-06   -0.1740757495E-06     746.5963558        0.2331603520E-09
J1,K1,R1,R2,RAT=   8   8    0.5198357268E-01     1.948019974        0.9480164273    
FOB,PFOB,DIAG,PSTEP=   -0.4074276794E-06   -0.4297685441E-06     674.0828611        0.6375592777E-09
J1,K1,R1,R2,RAT=   9   9    0.5587530533E-01     1.944115162        0.9441151617    
FOB,PFOB,DIAG,PSTEP=   -0.7279921388E-06   -0.7710764778E-06     630.6264716        0.1222720878E-08
J1,K1,R1,R2,RAT=  10  10    0.6455784177         1.354429426        0.3544215823    
FOB,PFOB,DIAG,PSTEP=   -0.1496183619E-07   -0.4221449840E-07     600.7703398        0.7026700563E-10
J1,K1,R1,R2,RAT=  11  11    0.1647726801         1.835229204        0.8352273199    
FOB,PFOB,DIAG,PSTEP=    0.2306858977E-07    0.2761952936E-07     586.3797154       -0.4710173736E-10
J1,K1,R1,R2,RAT= 109 109    0.4850990633E-01     1.951481620        0.9514816204    
FOB,PFOB,DIAG,PSTEP=    0.5823809435E-05    0.6120726565E-05     13.90755248       -0.4401027792E-06
J1,K1,R1,R2,RAT= 110 110    0.1569954682         1.843001601        0.8430016008    
FOB,PFOB,DIAG,PSTEP=   -0.8888546391E-05   -0.1054389209E-04     12.24298296        0.8612204708E-06
J1,K1,R1,R2,RAT= 111 111    0.8845965997         1.115418376        0.1154034003    
FOB,PFOB,DIAG,PSTEP=   -0.6685949048E-07   -0.5793213471E-06     10.09166768        0.5740547822E-07
J1,K1,R1,R2,RAT= 112 112    0.3996032607         740.4114059        0.6003967393    
FOB,PFOB,DIAG,PSTEP=    0.3342460494E-01    0.3346070323E-01     9.033532929       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8445361250         1567.210052        0.1554638750    
FOB,PFOB,DIAG,PSTEP=    0.9342077081E-01    0.9332014011E-01     5.743525548       -0.2074596817E-04
J1,K1,R1,R2,RAT= 114 114    0.2301157900        -57529.02048        0.7698842100    
FOB,PFOB,DIAG,PSTEP=    0.9133252511        0.9133179446         3.175168255        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03342      0.09342      0.91333 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3828193567
 Log product of positive Hessian eigenvalues =          519.0702090525
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1751682551
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000033
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000062
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000152
 Unscaled step for mode   64=       -0.0000000002
 Unscaled step for mode   65=        0.0000000100
 Unscaled step for mode   66=       -0.0000000048
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=        0.0000000108
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=       -0.0000000029
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=       -0.0000000094
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000055
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=       -0.0000000154
 Unscaled step for mode   83=        0.0000000043
 Unscaled step for mode   84=       -0.0000000038
 Unscaled step for mode   85=       -0.0000000272
 Unscaled step for mode   86=       -0.0000000082
 Unscaled step for mode   87=       -0.0000000122
 Unscaled step for mode   88=       -0.0000000220
 Unscaled step for mode   89=        0.0000000347
 Unscaled step for mode   90=       -0.0000000366
 Unscaled step for mode   91=        0.0000000489
 Unscaled step for mode   92=        0.0000000626
 Unscaled step for mode   93=        0.0000000628
 Unscaled step for mode   94=        0.0000000144
 Unscaled step for mode   95=       -0.0000000366
 Unscaled step for mode   96=       -0.0000000252
 Unscaled step for mode   97=       -0.0000000717
 Unscaled step for mode   98=        0.0000000118
 Unscaled step for mode   99=       -0.0000000467
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003280
 Unscaled step for mode  102=       -0.0000000019
 Unscaled step for mode  103=       -0.0000000909
 Unscaled step for mode  104=        0.0000000737
 Unscaled step for mode  105=       -0.0000002523
 Unscaled step for mode  106=       -0.0000002563
 Unscaled step for mode  107=       -0.0000010078
 Unscaled step for mode  108=       -0.0000013879
 Unscaled step for mode  109=       -0.0000004188
 Unscaled step for mode  110=        0.0000007260
 Unscaled step for mode  111=        0.0000000066
 Unscaled step for mode  112=       -0.0037000084
 Unscaled step for mode  113=       -0.0162611043
 Unscaled step for mode  114=        0.2671215626
 Largest modulus ratio of non-zero e/values=           235.1359978    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.631114E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.109732E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.757640E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.783621E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.355806E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.324048E-14    0.974295E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175917E-06    0.746596E+03  0.235625E-09 0.100000E-04    0.989423E+00
   8   -0.407428E-06    0.674083E+03  0.604418E-09 0.100000E-04    0.948016E+00
   9   -0.727992E-06    0.630626E+03  0.115440E-08 0.100000E-04    0.944115E+00
  10   -0.149618E-07    0.600770E+03  0.249044E-10 0.100000E-04    0.354422E+00
  11    0.230686E-07    0.586380E+03 -0.393407E-10 0.100000E-04    0.835227E+00
  12   -0.103726E-05    0.578884E+03  0.179182E-08 0.100000E-04    0.940804E+00
  13    0.542010E-07    0.564990E+03 -0.959327E-10 0.100000E-04    0.933561E+00
  14    0.435036E-06    0.487461E+03 -0.892454E-09 0.100000E-04    0.931857E+00
  15   -0.430585E-06    0.460635E+03  0.934763E-09 0.100000E-04    0.937136E+00
  16   -0.109236E-06    0.459784E+03  0.237581E-09 0.100000E-04    0.799649E+00
  17   -0.557885E-06    0.441677E+03  0.126310E-08 0.100000E-04    0.904160E+00
  18   -0.419481E-06    0.429357E+03  0.976999E-09 0.100000E-04    0.931128E+00
  19   -0.165605E-06    0.421917E+03  0.392507E-09 0.100000E-04    0.695068E+00
  20   -0.378780E-06    0.407977E+03  0.928434E-09 0.100000E-04    0.920754E+00
  21   -0.422855E-06    0.396348E+03  0.106688E-08 0.100000E-04    0.917893E+00
  22   -0.661868E-06    0.387497E+03  0.170806E-08 0.100000E-04    0.987884E+00
  23    0.806828E-06    0.370021E+03 -0.218049E-08 0.100000E-04    0.921625E+00
  24   -0.445367E-06    0.360565E+03  0.123519E-08 0.100000E-04    0.974604E+00
  25   -0.965618E-07    0.349360E+03  0.276397E-09 0.100000E-04    0.304216E+00
  26   -0.103913E-06    0.335285E+03  0.309925E-09 0.100000E-04    0.279187E+00
  27    0.348176E-06    0.329286E+03 -0.105737E-08 0.100000E-04    0.883473E+00
  28   -0.371259E-06    0.321835E+03  0.115357E-08 0.100000E-04    0.892465E+00
  29   -0.269311E-07    0.319113E+03  0.843936E-10 0.100000E-04    0.267679E+00
  30   -0.137550E-05    0.309417E+03  0.444545E-08 0.100000E-04    0.957626E+00
  31   -0.103662E-05    0.300829E+03  0.344586E-08 0.100000E-04    0.952894E+00
  32   -0.125118E-05    0.290600E+03  0.430551E-08 0.100000E-04    0.966186E+00
  33    0.122993E-07    0.278965E+03 -0.440892E-10 0.100000E-04    0.329186E+00
  34   -0.860841E-07    0.272727E+03  0.315643E-09 0.100000E-04    0.494142E+00
  35    0.105944E-05    0.268533E+03 -0.394527E-08 0.100000E-04    0.966114E+00
  36    0.129666E-05    0.264947E+03 -0.489403E-08 0.100000E-04    0.979812E+00
  37   -0.471338E-06    0.263823E+03  0.178657E-08 0.100000E-04    0.892689E+00
  38   -0.155649E-06    0.253228E+03  0.614658E-09 0.100000E-04    0.985243E+00
  39   -0.374657E-06    0.241568E+03  0.155094E-08 0.100000E-04    0.870716E+00
  40   -0.132145E-05    0.240766E+03  0.548855E-08 0.100000E-04    0.983595E+00
  41   -0.104374E-05    0.233997E+03  0.446051E-08 0.100000E-04    0.994256E+00
  42   -0.173060E-05    0.227513E+03  0.760661E-08 0.100000E-04    0.960686E+00
  43   -0.322950E-07    0.217119E+03  0.148743E-09 0.100000E-04    0.891387E+00
  44   -0.202211E-05    0.214889E+03  0.941000E-08 0.100000E-04    0.965259E+00
  45    0.718022E-06    0.213267E+03 -0.336678E-08 0.100000E-04    0.985273E+00
  46    0.110864E-05    0.207666E+03 -0.533856E-08 0.100000E-04    0.981511E+00
  47   -0.771726E-06    0.203007E+03  0.380147E-08 0.100000E-04    0.963614E+00
  48   -0.117044E-05    0.195450E+03  0.598844E-08 0.100000E-04    0.923779E+00
  49    0.946849E-06    0.194834E+03 -0.485978E-08 0.100000E-04    0.947344E+00
  50    0.125216E-05    0.191353E+03 -0.654374E-08 0.100000E-04    0.876793E+00
  51    0.208535E-06    0.182944E+03 -0.113988E-08 0.100000E-04    0.858621E+00
  52    0.577384E-06    0.174343E+03 -0.331178E-08 0.100000E-04    0.924310E+00
  53    0.107662E-06    0.172332E+03 -0.624737E-09 0.100000E-04    0.676988E+00
  54   -0.237871E-06    0.168210E+03  0.141413E-08 0.100000E-04    0.938790E+00
  55    0.881966E-06    0.163228E+03 -0.540326E-08 0.100000E-04    0.999609E+00
  56    0.137424E-05    0.156879E+03 -0.875988E-08 0.100000E-04    0.969547E+00
  57   -0.341540E-06    0.154901E+03  0.220489E-08 0.100000E-04    0.830897E+00
  58    0.933049E-06    0.152259E+03 -0.612804E-08 0.100000E-04    0.997949E+00
  59    0.670322E-06    0.146678E+03 -0.457003E-08 0.100000E-04    0.993976E+00
  60   -0.171841E-06    0.143356E+03  0.119870E-08 0.100000E-04    0.738619E+00
  61   -0.860843E-06    0.138082E+03  0.623428E-08 0.100000E-04    0.817408E+00
  62   -0.955050E-06    0.135873E+03  0.702898E-08 0.100000E-04    0.967473E+00
  63   -0.197418E-05    0.130297E+03  0.151514E-07 0.100000E-04    0.912339E+00
  64    0.270369E-07    0.128836E+03 -0.209856E-09 0.109000E-04    0.197258E+00
  65   -0.126367E-05    0.126895E+03  0.995840E-08 0.100000E-04    0.881487E+00
  66    0.592272E-06    0.124097E+03 -0.477267E-08 0.100000E-04    0.879196E+00
  67    0.186902E-05    0.120008E+03 -0.155742E-07 0.100000E-04    0.956569E+00
  68    0.440366E-06    0.118165E+03 -0.372671E-08 0.100000E-04    0.925838E+00
  69    0.204262E-07    0.116846E+03 -0.174812E-09 0.100000E-04    0.251860E+00
  70    0.134679E-05    0.110358E+03 -0.122038E-07 0.100000E-04    0.940386E+00
  71   -0.672889E-06    0.106830E+03  0.629871E-08 0.100000E-04    0.915733E+00
  72   -0.112887E-05    0.104449E+03  0.108079E-07 0.100000E-04    0.850755E+00
  73    0.147336E-06    0.102854E+03 -0.143248E-08 0.100000E-04    0.751531E+00
  74    0.903035E-07    0.995138E+02 -0.907447E-09 0.109000E-04    0.545254E-01
  75    0.275295E-06    0.960945E+02 -0.286483E-08 0.109000E-04    0.450437E-01
  76    0.214890E-06    0.941079E+02 -0.228344E-08 0.100000E-04    0.857945E+00
  77   -0.157727E-05    0.919769E+02  0.171486E-07 0.100000E-04    0.959179E+00
  78    0.861995E-06    0.912269E+02 -0.944891E-08 0.100000E-04    0.965277E+00
  79    0.703239E-06    0.884296E+02 -0.795253E-08 0.100000E-04    0.981654E+00
  80    0.472596E-06    0.856028E+02 -0.552080E-08 0.100000E-04    0.910246E+00
  81   -0.130710E-05    0.808332E+02  0.161703E-07 0.100000E-04    0.988721E+00
  82    0.123877E-05    0.804880E+02 -0.153907E-07 0.100000E-04    0.929713E+00
  83   -0.333569E-06    0.779612E+02  0.427866E-08 0.100000E-04    0.807512E+00
  84    0.277367E-06    0.732893E+02 -0.378455E-08 0.100000E-04    0.548763E+00
  85    0.197091E-05    0.725678E+02 -0.271595E-07 0.100000E-04    0.885903E+00
  86    0.553688E-06    0.679235E+02 -0.815165E-08 0.100000E-04    0.841638E+00
  87    0.788068E-06    0.647629E+02 -0.121685E-07 0.100000E-04    0.786256E+00
  88    0.134687E-05    0.613589E+02 -0.219507E-07 0.100000E-04    0.975817E+00
  89   -0.207841E-05    0.598415E+02  0.347319E-07 0.100000E-04    0.939871E+00
  90    0.217228E-05    0.593985E+02 -0.365713E-07 0.100000E-04    0.973805E+00
  91   -0.284443E-05    0.581372E+02  0.489261E-07 0.100000E-04    0.913057E+00
  92   -0.349801E-05    0.558789E+02  0.625999E-07 0.100000E-04    0.943750E+00
  93   -0.329472E-05    0.524480E+02  0.628188E-07 0.100000E-04    0.978706E+00
  94   -0.748489E-06    0.520373E+02  0.143837E-07 0.100000E-04    0.840950E+00
  95    0.183750E-05    0.502295E+02 -0.365820E-07 0.100000E-04    0.876937E+00
  96    0.116473E-05    0.461665E+02 -0.252289E-07 0.100000E-04    0.910615E+00
  97    0.310555E-05    0.433296E+02 -0.716728E-07 0.100000E-04    0.879614E+00
  98   -0.481276E-06    0.409142E+02  0.117631E-07 0.100000E-04    0.646972E+00
  99    0.177006E-05    0.378688E+02 -0.467419E-07 0.100000E-04    0.797625E+00
 100    0.150920E-05    0.362147E+02 -0.416738E-07 0.100000E-04    0.883919E+00
 101   -0.105879E-04    0.322758E+02  0.328043E-06 0.100000E-04    0.934081E+00
 102    0.546675E-07    0.288953E+02 -0.189192E-08 0.100000E-04    0.244994E+00
 103    0.258564E-05    0.284515E+02 -0.908788E-07 0.100000E-04    0.957215E+00
 104   -0.193855E-05    0.262937E+02  0.737268E-07 0.100000E-04    0.803345E+00
 105    0.588640E-05    0.233348E+02 -0.252259E-06 0.100000E-04    0.922033E+00
 106    0.546538E-05    0.213224E+02 -0.256320E-06 0.100000E-04    0.957806E+00
 107    0.200110E-04    0.198558E+02 -0.100782E-05 0.100000E-04    0.914020E+00
 108    0.228412E-04    0.164577E+02 -0.138787E-05 0.100000E-04    0.925658E+00
 109    0.582381E-05    0.139076E+02 -0.418752E-06 0.100000E-04    0.951482E+00
 110   -0.888855E-05    0.122430E+02  0.726011E-06 0.100000E-04    0.843002E+00
 111   -0.668595E-07    0.100917E+02  0.662522E-08 0.109000E-04    0.115403E+00
 112    0.334246E-01    0.903353E+01 -0.100000E-04 0.100000E-04    0.600397E+00
 113    0.934208E-01    0.574353E+01 -0.226131E-04 0.226131E-04    0.155464E+00
 114    0.913325E+00    0.317517E+01  0.100000E-04 0.100000E-04    0.769884E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2261310530E-04    0.2671215626    

 Beginning of optimization cycle  587.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995807947
 potential> RMS force:                                               0.0860454468   |gradient|=.9187139691    
 Eigenvalues of the Hessian matrix:
   746.60039    674.08146    630.62958    600.76800    586.37910    578.88436 
   564.98557    487.46049    460.63399    459.78294    441.67654    429.35829 
   421.91650    407.97570    396.34754    387.49541    370.02117    360.56490 
   349.35885    335.28541    329.28722    321.83485    319.11346    309.41551 
   300.82855    290.59987    278.96658    272.72698    268.53338    264.94749 
   263.82387    253.22761    241.56834    240.76605    233.99735    227.51324 
   217.11989    214.88939    213.26620    207.66665    203.00681    195.44868 
   194.83427    191.35336    182.94518    174.34332    172.33245    168.21037 
   163.22811    156.87843    154.90171    152.25876    146.67703    143.35522 
   138.08288    135.87319    130.29631    128.83573    126.89471    124.09549 
   120.00793    118.16499    116.84595    110.35827    106.82948    104.44893 
   102.85402     99.51376     96.09431     94.10765     91.97651     91.22710 
    88.42904     85.60313     80.83330     80.48867     77.96097     73.28903 
    72.56718     67.92316     64.76245     61.35846     59.84122     59.39860 
    58.13718     55.87864     52.44785     52.03686     50.23007     46.16605 
    43.33018     40.91431     37.86879     36.21436     32.27541     28.89564 
    28.45157     26.29399     23.33470     21.32267     19.85571     16.45761 
    13.90761     12.24300     10.09159      9.03512      5.74373      3.17487 
overlap for current and previous eigenvector    109 is         0.9999999879
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999716
overlap for current and previous eigenvector    112 is         0.9999999315
overlap for current and previous eigenvector    113 is         0.9999999244
overlap for current and previous eigenvector    114 is         0.9999999631
J1,K1,R1,R2,RAT=   7   7    0.3352891823E-02     1.996636301        0.9966363006    
FOB,PFOB,DIAG,PSTEP=   -0.1753271944E-06   -0.1759170284E-06     746.6003903        0.2356253510E-09
J1,K1,R1,R2,RAT=   8   8   -0.4497527180E-01     2.044979433        0.9550247282    
FOB,PFOB,DIAG,PSTEP=   -0.4257518119E-06   -0.4074276794E-06     674.0814584        0.6044177993E-09
J1,K1,R1,R2,RAT=   9   9   -0.4784021903E-01     2.047830366        0.9521597810    
FOB,PFOB,DIAG,PSTEP=   -0.7628196137E-06   -0.7279921388E-06     630.6295784        0.1154395148E-08
J1,K1,R1,R2,RAT=  10  10    -1.550661209         3.550668999        0.5506612094    
FOB,PFOB,DIAG,PSTEP=   -0.3816248484E-07   -0.1496183619E-07     600.7679999        0.2490441888E-10
J1,K1,R1,R2,RAT=  11  11   -0.1185317859         2.118533900        0.8814682141    
FOB,PFOB,DIAG,PSTEP=    0.2580294803E-07    0.2306858977E-07     586.3790954       -0.3934070223E-10
J1,K1,R1,R2,RAT= 109 109   -0.4418134792E-01     2.044172689        0.9558186521    
FOB,PFOB,DIAG,PSTEP=    0.6081114300E-05    0.5823809435E-05     13.90761269       -0.4187515701E-06
J1,K1,R1,R2,RAT= 110 110   -0.1540754167         2.154072507        0.8459245833    
FOB,PFOB,DIAG,PSTEP=   -0.1025805487E-04   -0.8888546391E-05     12.24300077        0.7260114976E-06
J1,K1,R1,R2,RAT= 111 111    -7.959466054         9.959480622         6.959466054    
FOB,PFOB,DIAG,PSTEP=   -0.5990214592E-06   -0.6685949048E-07     10.09159418        0.6625217217E-08
J1,K1,R1,R2,RAT= 112 112    0.3680952982         739.5139526        0.6319047018    
FOB,PFOB,DIAG,PSTEP=    0.3339134709E-01    0.3342460494E-01     9.035117160       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7929513905         1439.324758        0.2070486095    
FOB,PFOB,DIAG,PSTEP=    0.9352376211E-01    0.9342077081E-01     5.743726715       -0.2261310530E-04
J1,K1,R1,R2,RAT= 114 114    0.1838985616        -57534.82902        0.8161014384    
FOB,PFOB,DIAG,PSTEP=    0.9133310897        0.9133252511         3.174870547        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03339      0.09352      0.91333 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3827989929
 Log product of positive Hessian eigenvalues =          519.0702927070
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1748705469
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000073
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000035
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000074
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=        0.0000000163
 Unscaled step for mode   64=       -0.0000000009
 Unscaled step for mode   65=        0.0000000111
 Unscaled step for mode   66=       -0.0000000053
 Unscaled step for mode   67=       -0.0000000161
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000128
 Unscaled step for mode   71=        0.0000000068
 Unscaled step for mode   72=        0.0000000096
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=       -0.0000000016
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=       -0.0000000166
 Unscaled step for mode   78=       -0.0000000097
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000060
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=       -0.0000000163
 Unscaled step for mode   83=        0.0000000037
 Unscaled step for mode   84=       -0.0000000064
 Unscaled step for mode   85=       -0.0000000301
 Unscaled step for mode   86=       -0.0000000094
 Unscaled step for mode   87=       -0.0000000148
 Unscaled step for mode   88=       -0.0000000214
 Unscaled step for mode   89=        0.0000000366
 Unscaled step for mode   90=       -0.0000000373
 Unscaled step for mode   91=        0.0000000524
 Unscaled step for mode   92=        0.0000000655
 Unscaled step for mode   93=        0.0000000637
 Unscaled step for mode   94=        0.0000000126
 Unscaled step for mode   95=       -0.0000000410
 Unscaled step for mode   96=       -0.0000000270
 Unscaled step for mode   97=       -0.0000000797
 Unscaled step for mode   98=        0.0000000173
 Unscaled step for mode   99=       -0.0000000567
 Unscaled step for mode  100=       -0.0000000462
 Unscaled step for mode  101=        0.0000003457
 Unscaled step for mode  102=        0.0000000058
 Unscaled step for mode  103=       -0.0000000943
 Unscaled step for mode  104=        0.0000000646
 Unscaled step for mode  105=       -0.0000002691
 Unscaled step for mode  106=       -0.0000002650
 Unscaled step for mode  107=       -0.0000010828
 Unscaled step for mode  108=       -0.0000014760
 Unscaled step for mode  109=       -0.0000004373
 Unscaled step for mode  110=        0.0000008379
 Unscaled step for mode  111=        0.0000000594
 Unscaled step for mode  112=       -0.0036956788
 Unscaled step for mode  113=       -0.0162784520
 Unscaled step for mode  114=        0.2671447540
 Largest modulus ratio of non-zero e/values=           235.1593173    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.563677E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.136197E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.388774E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.192337E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.406576E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.468723E-14    0.974295E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175327E-06    0.746600E+03  0.234834E-09 0.100000E-04    0.996636E+00
   8   -0.425752E-06    0.674081E+03  0.631603E-09 0.100000E-04    0.955025E+00
   9   -0.762820E-06    0.630630E+03  0.120962E-08 0.100000E-04    0.952160E+00
  10   -0.381625E-07    0.600768E+03  0.635228E-10 0.100000E-04    0.550661E+00
  11    0.258029E-07    0.586379E+03 -0.440039E-10 0.100000E-04    0.881468E+00
  12   -0.109107E-05    0.578884E+03  0.188478E-08 0.100000E-04    0.948119E+00
  13    0.511613E-07    0.564986E+03 -0.905532E-10 0.100000E-04    0.943917E+00
  14    0.462065E-06    0.487460E+03 -0.947902E-09 0.100000E-04    0.937871E+00
  15   -0.453992E-06    0.460634E+03  0.985580E-09 0.100000E-04    0.945640E+00
  16   -0.131826E-06    0.459783E+03  0.286714E-09 0.100000E-04    0.793194E+00
  17   -0.607436E-06    0.441677E+03  0.137530E-08 0.100000E-04    0.911179E+00
  18   -0.444374E-06    0.429358E+03  0.103497E-08 0.100000E-04    0.940658E+00
  19   -0.133134E-06    0.421916E+03  0.315546E-09 0.100000E-04    0.803924E+00
  20   -0.405461E-06    0.407976E+03  0.993836E-09 0.100000E-04    0.929561E+00
  21   -0.454003E-06    0.396348E+03  0.114547E-08 0.100000E-04    0.926340E+00
  22   -0.666914E-06    0.387495E+03  0.172109E-08 0.100000E-04    0.992376E+00
  23    0.863552E-06    0.370021E+03 -0.233379E-08 0.100000E-04    0.929695E+00
  24   -0.454501E-06    0.360565E+03  0.126053E-08 0.100000E-04    0.979490E+00
  25   -0.627910E-07    0.349359E+03  0.179732E-09 0.100000E-04    0.650267E+00
  26   -0.570450E-07    0.335285E+03  0.170139E-09 0.100000E-04    0.548966E+00
  27    0.384952E-06    0.329287E+03 -0.116905E-08 0.100000E-04    0.894374E+00
  28   -0.406789E-06    0.321835E+03  0.126397E-08 0.100000E-04    0.904298E+00
  29   -0.842037E-07    0.319113E+03  0.263867E-09 0.100000E-04    0.112663E+01
  30   -0.141968E-05    0.309416E+03  0.458825E-08 0.100000E-04    0.967881E+00
  31   -0.107775E-05    0.300829E+03  0.358261E-08 0.100000E-04    0.960317E+00
  32   -0.128454E-05    0.290600E+03  0.442031E-08 0.100000E-04    0.973337E+00
  33   -0.281657E-07    0.278967E+03  0.100965E-09 0.100000E-04    0.290012E+00
  34   -0.448979E-07    0.272727E+03  0.164626E-09 0.100000E-04    0.521556E+00
  35    0.108676E-05    0.268533E+03 -0.404702E-08 0.100000E-04    0.974208E+00
  36    0.131668E-05    0.264947E+03 -0.496959E-08 0.100000E-04    0.984560E+00
  37   -0.518596E-06    0.263824E+03  0.196569E-08 0.100000E-04    0.899737E+00
  38   -0.153436E-06    0.253228E+03  0.605920E-09 0.100000E-04    0.985781E+00
  39   -0.341628E-06    0.241568E+03  0.141421E-08 0.100000E-04    0.911840E+00
  40   -0.133750E-05    0.240766E+03  0.555520E-08 0.100000E-04    0.987854E+00
  41   -0.103901E-05    0.233997E+03  0.444026E-08 0.100000E-04    0.995456E+00
  42   -0.178283E-05    0.227513E+03  0.783617E-08 0.100000E-04    0.969820E+00
  43   -0.339742E-07    0.217120E+03  0.156477E-09 0.100000E-04    0.948006E+00
  44   -0.207956E-05    0.214889E+03  0.967734E-08 0.100000E-04    0.971589E+00
  45    0.707217E-06    0.213266E+03 -0.331612E-08 0.100000E-04    0.984952E+00
  46    0.112689E-05    0.207667E+03 -0.542642E-08 0.100000E-04    0.983540E+00
  47   -0.795853E-06    0.203007E+03  0.392033E-08 0.100000E-04    0.968737E+00
  48   -0.124609E-05    0.195449E+03  0.637554E-08 0.100000E-04    0.935362E+00
  49    0.990933E-06    0.194834E+03 -0.508603E-08 0.100000E-04    0.953442E+00
  50    0.139505E-05    0.191353E+03 -0.729045E-08 0.100000E-04    0.885887E+00
  51    0.236166E-06    0.182945E+03 -0.129091E-08 0.100000E-04    0.867496E+00
  52    0.614496E-06    0.174343E+03 -0.352463E-08 0.100000E-04    0.935723E+00
  53    0.867856E-07    0.172332E+03 -0.503594E-09 0.100000E-04    0.806088E+00
  54   -0.225627E-06    0.168210E+03  0.134134E-08 0.100000E-04    0.948523E+00
  55    0.877094E-06    0.163228E+03 -0.537343E-08 0.100000E-04    0.994476E+00
  56    0.140907E-05    0.156878E+03 -0.898194E-08 0.100000E-04    0.974653E+00
  57   -0.401013E-06    0.154902E+03  0.258882E-08 0.100000E-04    0.825870E+00
  58    0.931352E-06    0.152259E+03 -0.611690E-08 0.100000E-04    0.998181E+00
  59    0.671318E-06    0.146677E+03 -0.457685E-08 0.100000E-04    0.998514E+00
  60   -0.223861E-06    0.143355E+03  0.156158E-08 0.100000E-04    0.697274E+00
  61   -0.101973E-05    0.138083E+03  0.738492E-08 0.100000E-04    0.815428E+00
  62   -0.979154E-06    0.135873E+03  0.720638E-08 0.100000E-04    0.974761E+00
  63   -0.212697E-05    0.130296E+03  0.163241E-07 0.100000E-04    0.922602E+00
  64    0.116316E-06    0.128836E+03 -0.902822E-09 0.100000E-04    0.230210E+01
  65   -0.140529E-05    0.126895E+03  0.110745E-07 0.100000E-04    0.887925E+00
  66    0.661565E-06    0.124095E+03 -0.533110E-08 0.100000E-04    0.883004E+00
  67    0.193625E-05    0.120008E+03 -0.161343E-07 0.100000E-04    0.964032E+00
  68    0.469207E-06    0.118165E+03 -0.397078E-08 0.100000E-04    0.934506E+00
  69    0.744755E-07    0.116846E+03 -0.637382E-09 0.100000E-04    0.164609E+01
  70    0.141577E-05    0.110358E+03 -0.128288E-07 0.100000E-04    0.948780E+00
  71   -0.724209E-06    0.106829E+03  0.677911E-08 0.100000E-04    0.923732E+00
  72   -0.100761E-05    0.104449E+03  0.964690E-08 0.100000E-04    0.892574E+00
  73    0.187222E-06    0.102854E+03 -0.182027E-08 0.100000E-04    0.729291E+00
  74    0.497636E-07    0.995138E+02 -0.500067E-09 0.100000E-04    0.551070E+00
  75    0.155664E-06    0.960943E+02 -0.161991E-08 0.100000E-04    0.565444E+00
  76    0.242680E-06    0.941077E+02 -0.257875E-08 0.100000E-04    0.870675E+00
  77    0.152277E-05    0.919765E+02 -0.165561E-07 0.100000E-04    0.965446E+00
  78    0.883679E-06    0.912271E+02 -0.968658E-08 0.100000E-04    0.974844E+00
  79    0.711214E-06    0.884290E+02 -0.804277E-08 0.100000E-04    0.988659E+00
  80    0.512520E-06    0.856031E+02 -0.598717E-08 0.100000E-04    0.915523E+00
  81   -0.131566E-05    0.808333E+02  0.162763E-07 0.100000E-04    0.993445E+00
  82    0.131468E-05    0.804887E+02 -0.163337E-07 0.100000E-04    0.938719E+00
  83   -0.287949E-06    0.779610E+02  0.369350E-08 0.100000E-04    0.863235E+00
  84    0.465655E-06    0.732890E+02 -0.635368E-08 0.100000E-04    0.321157E+00
  85    0.218555E-05    0.725672E+02 -0.301176E-07 0.100000E-04    0.891096E+00
  86    0.637752E-06    0.679232E+02 -0.938931E-08 0.100000E-04    0.848174E+00
  87    0.960153E-06    0.647624E+02 -0.148258E-07 0.100000E-04    0.781636E+00
  88    0.131289E-05    0.613585E+02 -0.213971E-07 0.100000E-04    0.974772E+00
  89   -0.218942E-05    0.598412E+02  0.365872E-07 0.100000E-04    0.946586E+00
  90    0.221583E-05    0.593986E+02 -0.373045E-07 0.100000E-04    0.979950E+00
  91   -0.304512E-05    0.581372E+02  0.523782E-07 0.100000E-04    0.929443E+00
  92   -0.365920E-05    0.558786E+02  0.654849E-07 0.100000E-04    0.953918E+00
  93   -0.334131E-05    0.524479E+02  0.637073E-07 0.100000E-04    0.985858E+00
  94   -0.656481E-06    0.520369E+02  0.126157E-07 0.100000E-04    0.877074E+00
  95    0.205837E-05    0.502301E+02 -0.409788E-07 0.100000E-04    0.879798E+00
  96    0.124604E-05    0.461660E+02 -0.269904E-07 0.100000E-04    0.930187E+00
  97    0.345202E-05    0.433302E+02 -0.796678E-07 0.100000E-04    0.888438E+00
  98   -0.708448E-06    0.409143E+02  0.173154E-07 0.100000E-04    0.527980E+00
  99    0.214553E-05    0.378688E+02 -0.566569E-07 0.100000E-04    0.787878E+00
 100    0.167185E-05    0.362144E+02 -0.461653E-07 0.100000E-04    0.892232E+00
 101   -0.111580E-04    0.322754E+02  0.345713E-06 0.100000E-04    0.946147E+00
 102   -0.166924E-06    0.288956E+02  0.577681E-08 0.100000E-04    0.105343E+01
 103    0.268184E-05    0.284516E+02 -0.942598E-07 0.100000E-04    0.962795E+00
 104   -0.169886E-05    0.262940E+02  0.646101E-07 0.100000E-04    0.876334E+00
 105    0.627977E-05    0.233347E+02 -0.269117E-06 0.100000E-04    0.933172E+00
 106    0.565003E-05    0.213227E+02 -0.264978E-06 0.100000E-04    0.966215E+00
 107    0.215007E-04    0.198557E+02 -0.108285E-05 0.100000E-04    0.925553E+00
 108    0.242910E-04    0.164576E+02 -0.147598E-05 0.100000E-04    0.936524E+00
 109    0.608111E-05    0.139076E+02 -0.437251E-06 0.100000E-04    0.955819E+00
 110   -0.102581E-04    0.122430E+02  0.837871E-06 0.100000E-04    0.845925E+00
 111   -0.599021E-06    0.100916E+02  0.593585E-07 0.100000E-04    0.695947E+01
 112    0.333913E-01    0.903512E+01 -0.100000E-04 0.100000E-04    0.631905E+00
 113    0.935238E-01    0.574373E+01 -0.203722E-04 0.203722E-04    0.207049E+00
 114    0.913331E+00    0.317487E+01  0.100000E-04 0.100000E-04    0.816101E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2037216694E-04    0.2671447540    

 Beginning of optimization cycle  588.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995738988
 potential> RMS force:                                               0.0860469799   |gradient|=.9187303374    
 Eigenvalues of the Hessian matrix:
   746.60430    674.08029    630.63255    600.76565    586.37856    578.88464 
   564.98170    487.46022    460.63267    459.78239    441.67596    429.35948 
   421.91589    407.97409    396.34700    387.49397    370.02164    360.56504 
   349.35807    335.28602    329.28808    321.83465    319.11402    309.41436 
   300.82792    290.59992    278.96799    272.72742    268.53356    264.94781 
   263.82446    253.22697    241.56855    240.76649    233.99809    227.51352 
   217.12054    214.88953    213.26591    207.66712    203.00640    195.44786 
   194.83461    191.35383    182.94587    174.34403    172.33268    168.21063 
   163.22779    156.87820    154.90221    152.25859    146.67644    143.35484 
   138.08339    135.87319    130.29607    128.83594    126.89491    124.09441 
   120.00811    118.16514    116.84555    110.35850    106.82932    104.44917 
   102.85410     99.51370     96.09412     94.10745     91.97609     91.22731 
    88.42854     85.60342     80.83336     80.48933     77.96076     73.28885 
    72.56664     67.92290     64.76200     61.35798     59.84100     59.39871 
    58.13715     55.87844     52.44776     52.03650     50.23064     46.16564 
    43.33073     40.91443     37.86876     36.21408     32.27504     28.89597 
    28.45162     26.29425     23.33460     21.32292     19.85560     16.45751 
    13.90767     12.24302     10.09152      9.03660      5.74391      3.17458 
overlap for current and previous eigenvector    109 is         0.9999999895
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999764
overlap for current and previous eigenvector    112 is         0.9999999409
overlap for current and previous eigenvector    113 is         0.9999999336
overlap for current and previous eigenvector    114 is         0.9999999681
J1,K1,R1,R2,RAT=   7   7   -0.1043635149E-01     2.010425884        0.9895636485    
FOB,PFOB,DIAG,PSTEP=   -0.1771569802E-06   -0.1753271944E-06     746.6042978        0.2348340514E-09
J1,K1,R1,R2,RAT=   8   8    0.5152161693E-01     1.948481850        0.9484783831    
FOB,PFOB,DIAG,PSTEP=   -0.4038164282E-06   -0.4257518119E-06     674.0802900        0.6316029117E-09
J1,K1,R1,R2,RAT=   9   9    0.5539437774E-01     1.944596183        0.9445961835    
FOB,PFOB,DIAG,PSTEP=   -0.7205634965E-06   -0.7628196137E-06     630.6325546        0.1209615977E-08
J1,K1,R1,R2,RAT=  10  10    0.7024469079         1.297560911        0.2975530921    
FOB,PFOB,DIAG,PSTEP=   -0.1135547017E-07   -0.3816248484E-07     600.7656511        0.6352283219E-10
J1,K1,R1,R2,RAT=  11  11    0.1718045201         1.828197314        0.8281954799    
FOB,PFOB,DIAG,PSTEP=    0.2136988899E-07    0.2580294803E-07     586.3785577       -0.4400386752E-10
J1,K1,R1,R2,RAT= 109 109    0.4777505806E-01     1.952216461        0.9522164613    
FOB,PFOB,DIAG,PSTEP=    0.5790587479E-05    0.6081114300E-05     13.90767166       -0.4372507659E-06
J1,K1,R1,R2,RAT= 110 110    0.1585223961         1.841474573        0.8414745730    
FOB,PFOB,DIAG,PSTEP=   -0.8631920971E-05   -0.1025805487E-04     12.24301932        0.8378709654E-06
J1,K1,R1,R2,RAT= 111 111    0.8463863554         1.153628509        0.1536136446    
FOB,PFOB,DIAG,PSTEP=   -0.9202163758E-07   -0.5990214592E-06     10.09151918        0.5935845702E-07
J1,K1,R1,R2,RAT= 112 112    0.4063433166         738.6182563        0.5936566834    
FOB,PFOB,DIAG,PSTEP=    0.3335462748E-01    0.3339134709E-01     9.036599623       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8492056659         1599.329938        0.1507943341    
FOB,PFOB,DIAG,PSTEP=    0.9362313260E-01    0.9352376211E-01     5.743906107       -0.2037216694E-04
J1,K1,R1,R2,RAT= 114 114    0.2402198822        -57540.44540        0.7597801178    
FOB,PFOB,DIAG,PSTEP=    0.9133387156        0.9133310897         3.174584056        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03335      0.09362      0.91334 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3827769960
 Log product of positive Hessian eigenvalues =          519.0703699045
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1745840560
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000000
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000064
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000033
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000060
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000149
 Unscaled step for mode   64=       -0.0000000001
 Unscaled step for mode   65=        0.0000000098
 Unscaled step for mode   66=       -0.0000000047
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000121
 Unscaled step for mode   71=        0.0000000062
 Unscaled step for mode   72=        0.0000000110
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000010
 Unscaled step for mode   75=       -0.0000000031
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=       -0.0000000172
 Unscaled step for mode   78=       -0.0000000094
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000055
 Unscaled step for mode   81=        0.0000000161
 Unscaled step for mode   82=       -0.0000000152
 Unscaled step for mode   83=        0.0000000044
 Unscaled step for mode   84=       -0.0000000033
 Unscaled step for mode   85=       -0.0000000267
 Unscaled step for mode   86=       -0.0000000079
 Unscaled step for mode   87=       -0.0000000116
 Unscaled step for mode   88=       -0.0000000219
 Unscaled step for mode   89=        0.0000000344
 Unscaled step for mode   90=       -0.0000000363
 Unscaled step for mode   91=        0.0000000478
 Unscaled step for mode   92=        0.0000000618
 Unscaled step for mode   93=        0.0000000624
 Unscaled step for mode   94=        0.0000000146
 Unscaled step for mode   95=       -0.0000000359
 Unscaled step for mode   96=       -0.0000000246
 Unscaled step for mode   97=       -0.0000000700
 Unscaled step for mode   98=        0.0000000110
 Unscaled step for mode   99=       -0.0000000450
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=        0.0000003230
 Unscaled step for mode  102=       -0.0000000037
 Unscaled step for mode  103=       -0.0000000903
 Unscaled step for mode  104=        0.0000000766
 Unscaled step for mode  105=       -0.0000002482
 Unscaled step for mode  106=       -0.0000002539
 Unscaled step for mode  107=       -0.0000009897
 Unscaled step for mode  108=       -0.0000013665
 Unscaled step for mode  109=       -0.0000004164
 Unscaled step for mode  110=        0.0000007050
 Unscaled step for mode  111=        0.0000000091
 Unscaled step for mode  112=       -0.0036910093
 Unscaled step for mode  113=       -0.0162952302
 Unscaled step for mode  114=        0.2671675838
 Largest modulus ratio of non-zero e/values=           235.1817701    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.963205E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.132685E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.430320E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.471926E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.288377E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.285393E-14    0.974295E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177157E-06    0.746604E+03  0.237284E-09 0.100000E-04    0.989564E+00
   8   -0.403816E-06    0.674080E+03  0.599063E-09 0.100000E-04    0.948478E+00
   9   -0.720563E-06    0.630633E+03  0.114260E-08 0.100000E-04    0.944596E+00
  10   -0.113555E-07    0.600766E+03  0.189017E-10 0.100000E-04    0.297553E+00
  11    0.213699E-07    0.586379E+03 -0.364438E-10 0.100000E-04    0.828195E+00
  12   -0.102704E-05    0.578885E+03  0.177417E-08 0.100000E-04    0.941312E+00
  13    0.544934E-07    0.564982E+03 -0.964517E-10 0.100000E-04    0.934869E+00
  14    0.430846E-06    0.487460E+03 -0.883860E-09 0.100000E-04    0.932437E+00
  15   -0.425636E-06    0.460633E+03  0.924025E-09 0.100000E-04    0.937542E+00
  16   -0.104932E-06    0.459782E+03  0.228220E-09 0.100000E-04    0.795985E+00
  17   -0.549359E-06    0.441676E+03  0.124381E-08 0.100000E-04    0.904390E+00
  18   -0.413924E-06    0.429359E+03  0.964050E-09 0.100000E-04    0.931471E+00
  19   -0.171203E-06    0.421916E+03  0.405775E-09 0.100000E-04    0.714055E+00
  20   -0.373472E-06    0.407974E+03  0.915430E-09 0.100000E-04    0.921104E+00
  21   -0.416858E-06    0.396347E+03  0.105175E-08 0.100000E-04    0.918184E+00
  22   -0.659009E-06    0.387494E+03  0.170069E-08 0.100000E-04    0.988146E+00
  23    0.796213E-06    0.370022E+03 -0.215180E-08 0.100000E-04    0.922018E+00
  24   -0.443164E-06    0.360565E+03  0.122908E-08 0.100000E-04    0.975055E+00
  25   -0.101747E-06    0.349358E+03  0.291240E-09 0.100000E-04    0.379589E+00
  26   -0.114433E-06    0.335286E+03  0.341299E-09 0.109000E-04    0.601000E-02
  27    0.339847E-06    0.329288E+03 -0.103207E-08 0.100000E-04    0.882824E+00
  28   -0.362839E-06    0.321835E+03  0.112741E-08 0.100000E-04    0.891958E+00
  29   -0.117266E-07    0.319114E+03  0.367474E-10 0.109000E-04    0.139263E+00
  30   -0.135993E-05    0.309414E+03  0.439519E-08 0.100000E-04    0.957918E+00
  31   -0.102748E-05    0.300828E+03  0.341550E-08 0.100000E-04    0.953353E+00
  32   -0.124160E-05    0.290600E+03  0.427255E-08 0.100000E-04    0.966573E+00
  33    0.207008E-07    0.278968E+03 -0.742048E-10 0.100000E-04    0.734954E+00
  34   -0.956594E-07    0.272727E+03  0.350751E-09 0.109000E-04    0.130595E+00
  35    0.105034E-05    0.268534E+03 -0.391138E-08 0.100000E-04    0.966483E+00
  36    0.129059E-05    0.264948E+03 -0.487112E-08 0.100000E-04    0.980184E+00
  37   -0.462946E-06    0.263824E+03  0.175475E-08 0.100000E-04    0.892687E+00
  38   -0.155705E-06    0.253227E+03  0.614884E-09 0.100000E-04    0.985208E+00
  39   -0.383817E-06    0.241569E+03  0.158886E-08 0.100000E-04    0.876505E+00
  40   -0.131596E-05    0.240766E+03  0.546572E-08 0.100000E-04    0.983890E+00
  41   -0.104500E-05    0.233998E+03  0.446584E-08 0.100000E-04    0.994236E+00
  42   -0.171340E-05    0.227514E+03  0.753097E-08 0.100000E-04    0.961050E+00
  43   -0.301468E-07    0.217121E+03  0.138848E-09 0.100000E-04    0.887338E+00
  44   -0.200827E-05    0.214890E+03  0.934559E-08 0.100000E-04    0.965718E+00
  45    0.717524E-06    0.213266E+03 -0.336446E-08 0.100000E-04    0.985425E+00
  46    0.110648E-05    0.207667E+03 -0.532813E-08 0.100000E-04    0.981886E+00
  47   -0.767308E-06    0.203006E+03  0.377972E-08 0.100000E-04    0.964133E+00
  48   -0.115120E-05    0.195448E+03  0.589007E-08 0.100000E-04    0.923850E+00
  49    0.939233E-06    0.194835E+03 -0.482067E-08 0.100000E-04    0.947824E+00
  50    0.122231E-05    0.191354E+03 -0.638772E-08 0.100000E-04    0.876174E+00
  51    0.202423E-06    0.182946E+03 -0.110646E-08 0.100000E-04    0.857111E+00
  52    0.568048E-06    0.174344E+03 -0.325820E-08 0.100000E-04    0.924405E+00
  53    0.112575E-06    0.172333E+03 -0.653241E-09 0.100000E-04    0.702840E+00
  54   -0.239129E-06    0.168211E+03  0.142160E-08 0.100000E-04    0.940160E+00
  55    0.877580E-06    0.163228E+03 -0.537641E-08 0.100000E-04    0.999446E+00
  56    0.136680E-05    0.156878E+03 -0.871247E-08 0.100000E-04    0.969998E+00
  57   -0.332756E-06    0.154902E+03  0.214817E-08 0.100000E-04    0.829782E+00
  58    0.929541E-06    0.152259E+03 -0.610502E-08 0.100000E-04    0.998056E+00
  59    0.667431E-06    0.146676E+03 -0.455037E-08 0.100000E-04    0.994210E+00
  60   -0.164107E-06    0.143355E+03  0.114476E-08 0.100000E-04    0.733077E+00
  61   -0.830826E-06    0.138083E+03  0.601684E-08 0.100000E-04    0.814743E+00
  62   -0.947644E-06    0.135873E+03  0.697448E-08 0.100000E-04    0.967819E+00
  63   -0.194059E-05    0.130296E+03  0.148937E-07 0.100000E-04    0.912372E+00
  64    0.803572E-08    0.128836E+03 -0.623718E-10 0.109000E-04    0.690837E-01
  65   -0.123850E-05    0.126895E+03  0.976008E-08 0.100000E-04    0.881312E+00
  66    0.581543E-06    0.124094E+03 -0.468629E-08 0.100000E-04    0.879040E+00
  67    0.185306E-05    0.120008E+03 -0.154411E-07 0.100000E-04    0.957035E+00
  68    0.434603E-06    0.118165E+03 -0.367793E-08 0.100000E-04    0.926248E+00
  69    0.148798E-07    0.116846E+03 -0.127346E-09 0.109000E-04    0.199791E+00
  70    0.133205E-05    0.110359E+03 -0.120702E-07 0.100000E-04    0.940859E+00
  71   -0.663248E-06    0.106829E+03  0.620848E-08 0.100000E-04    0.915824E+00
  72   -0.115187E-05    0.104449E+03  0.110281E-07 0.100000E-04    0.856826E+00
  73    0.139472E-06    0.102854E+03 -0.135602E-08 0.100000E-04    0.744956E+00
  74    0.952635E-07    0.995137E+02 -0.957291E-09 0.109000E-04    0.856771E-01
  75    0.294014E-06    0.960941E+02 -0.305965E-08 0.109000E-04    0.111223E+00
  76    0.207904E-06    0.941075E+02 -0.220922E-08 0.100000E-04    0.856700E+00
  77    0.158370E-05    0.919761E+02 -0.172186E-07 0.100000E-04    0.959987E+00
  78    0.853292E-06    0.912273E+02 -0.935347E-08 0.100000E-04    0.965609E+00
  79    0.698270E-06    0.884285E+02 -0.789644E-08 0.100000E-04    0.981800E+00
  80    0.466626E-06    0.856034E+02 -0.545103E-08 0.100000E-04    0.910448E+00
  81   -0.130116E-05    0.808334E+02  0.160968E-07 0.100000E-04    0.988973E+00
  82    0.122272E-05    0.804893E+02 -0.151911E-07 0.100000E-04    0.930035E+00
  83   -0.341105E-06    0.779608E+02  0.437534E-08 0.100000E-04    0.815397E+00
  84    0.241682E-06    0.732889E+02 -0.329766E-08 0.100000E-04    0.519013E+00
  85    0.193607E-05    0.725666E+02 -0.266799E-07 0.100000E-04    0.885850E+00
  86    0.535495E-06    0.679229E+02 -0.788387E-08 0.100000E-04    0.839660E+00
  87    0.749491E-06    0.647620E+02 -0.115730E-07 0.100000E-04    0.780594E+00
  88    0.134458E-05    0.613580E+02 -0.219138E-07 0.100000E-04    0.975861E+00
  89   -0.205919E-05    0.598410E+02  0.344110E-07 0.100000E-04    0.940516E+00
  90    0.215838E-05    0.593987E+02 -0.363371E-07 0.100000E-04    0.974067E+00
  91   -0.277943E-05    0.581371E+02  0.478082E-07 0.100000E-04    0.912749E+00
  92   -0.345431E-05    0.558784E+02  0.618184E-07 0.100000E-04    0.944006E+00
  93   -0.327107E-05    0.524478E+02  0.623682E-07 0.100000E-04    0.978978E+00
  94   -0.757659E-06    0.520365E+02  0.145601E-07 0.100000E-04    0.845877E+00
  95    0.180510E-05    0.502306E+02 -0.359362E-07 0.100000E-04    0.876933E+00
  96    0.113391E-05    0.461656E+02 -0.245618E-07 0.100000E-04    0.910010E+00
  97    0.303502E-05    0.433307E+02 -0.700432E-07 0.100000E-04    0.879179E+00
  98   -0.450269E-06    0.409144E+02  0.110051E-07 0.100000E-04    0.635565E+00
  99    0.170418E-05    0.378688E+02 -0.450022E-07 0.100000E-04    0.794292E+00
 100    0.147720E-05    0.362141E+02 -0.407907E-07 0.100000E-04    0.883570E+00
 101   -0.104243E-04    0.322750E+02  0.322984E-06 0.100000E-04    0.934243E+00
 102    0.106409E-06    0.288960E+02 -0.368249E-08 0.100000E-04    0.637450E+00
 103    0.256853E-05    0.284516E+02 -0.902770E-07 0.100000E-04    0.957745E+00
 104   -0.201340E-05    0.262943E+02  0.765718E-07 0.100000E-04    0.814853E+00
 105    0.579060E-05    0.233346E+02 -0.248155E-06 0.100000E-04    0.922103E+00
 106    0.541480E-05    0.213229E+02 -0.253943E-06 0.100000E-04    0.958344E+00
 107    0.196511E-04    0.198556E+02 -0.989700E-06 0.100000E-04    0.913973E+00
 108    0.224888E-04    0.164575E+02 -0.136647E-05 0.100000E-04    0.925804E+00
 109    0.579059E-05    0.139077E+02 -0.416359E-06 0.100000E-04    0.952216E+00
 110   -0.863192E-05    0.122430E+02  0.705048E-06 0.100000E-04    0.841475E+00
 111   -0.920216E-07    0.100915E+02  0.911871E-08 0.109000E-04    0.153614E+00
 112    0.333546E-01    0.903660E+01 -0.100000E-04 0.100000E-04    0.593657E+00
 113    0.936231E-01    0.574391E+01 -0.222057E-04 0.222057E-04    0.150794E+00
 114    0.913339E+00    0.317458E+01  0.100000E-04 0.100000E-04    0.759780E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2220566196E-04    0.2671675838    

 Beginning of optimization cycle  589.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995671759
 potential> RMS force:                                               0.0860484112   |gradient|=.9187456201    
 Eigenvalues of the Hessian matrix:
   746.60829    674.07892    630.63563    600.76332    586.37795    578.88492 
   564.97759    487.45984    460.63130    459.78182    441.67533    429.36083 
   421.91526    407.97240    396.34641    387.49249    370.02213    360.56522 
   349.35733    335.28668    329.28900    321.83440    319.11471    309.41318 
   300.82733    290.59999    278.96950    272.72789    268.53381    264.94815 
   263.82513    253.22636    241.56883    240.76695    233.99890    227.51385 
   217.12128    214.88968    213.26562    207.66763    203.00597    195.44703 
   194.83500    191.35431    182.94663    174.34478    172.33292    168.21091 
   163.22745    156.87797    154.90274    152.25840    146.67581    143.35443 
   138.08393    135.87319    130.29579    128.83616    126.89512    124.09326 
   120.00829    118.16527    116.84511    110.35875    106.82913    104.44941 
   102.85417     99.51362     96.09391     94.10722     91.97567     91.22753 
    88.42801     85.60374     80.83344     80.49004     77.96054     73.28863 
    72.56605     67.92260     64.76152     61.35750     59.84077     59.39881 
    58.13709     55.87821     52.44765     52.03611     50.23125     46.16520 
    43.33131     40.91454     37.86871     36.21371     32.27465     28.89630 
    28.45169     26.29453     23.33450     21.32315     19.85550     16.45740 
    13.90773     12.24304     10.09145      9.03817      5.74410      3.17429 
overlap for current and previous eigenvector    109 is         0.9999999882
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999721
overlap for current and previous eigenvector    112 is         0.9999999330
overlap for current and previous eigenvector    113 is         0.9999999264
overlap for current and previous eigenvector    114 is         0.9999999643
J1,K1,R1,R2,RAT=   7   7    0.3354648052E-02     1.996634648        0.9966346480    
FOB,PFOB,DIAG,PSTEP=   -0.1765626777E-06   -0.1771569802E-06     746.6082936        0.2372836331E-09
J1,K1,R1,R2,RAT=   8   8   -0.4456964310E-01     2.044573714        0.9554303569    
FOB,PFOB,DIAG,PSTEP=   -0.4218143456E-06   -0.4038164282E-06     674.0789178        0.5990628033E-09
J1,K1,R1,R2,RAT=   9   9   -0.4741329090E-01     2.047403539        0.9525867091    
FOB,PFOB,DIAG,PSTEP=   -0.7547279497E-06   -0.7205634965E-06     630.6356297        0.1142604344E-08
J1,K1,R1,R2,RAT=  10  10    -2.009121965         4.009129731         1.009121965    
FOB,PFOB,DIAG,PSTEP=   -0.3416990613E-07   -0.1135547017E-07     600.7633184        0.1890166348E-10
J1,K1,R1,R2,RAT=  11  11   -0.1242019099         2.124203970        0.8757980901    
FOB,PFOB,DIAG,PSTEP=    0.2402406728E-07    0.2136988899E-07     586.3779537       -0.3644384452E-10
J1,K1,R1,R2,RAT= 109 109   -0.4347731524E-01     2.043468652        0.9565226848    
FOB,PFOB,DIAG,PSTEP=    0.6042347767E-05    0.5790587479E-05     13.90773190       -0.4163592311E-06
J1,K1,R1,R2,RAT= 110 110   -0.1558435921         2.155840580        0.8441564079    
FOB,PFOB,DIAG,PSTEP=   -0.9977152567E-05   -0.8631920971E-05     12.24303776        0.7050483826E-06
J1,K1,R1,R2,RAT= 111 111    -5.709513736         7.709528195         4.709513736    
FOB,PFOB,DIAG,PSTEP=   -0.6174166432E-06   -0.9202163758E-07     10.09144622        0.9118710074E-08
J1,K1,R1,R2,RAT= 112 112    0.3754380521         737.7085117        0.6245619479    
FOB,PFOB,DIAG,PSTEP=    0.3332069476E-01    0.3335462748E-01     9.038166319       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7971597176         1468.801139        0.2028402824    
FOB,PFOB,DIAG,PSTEP=    0.9372481160E-01    0.9362313260E-01     5.744102844       -0.2220566196E-04
J1,K1,R1,R2,RAT= 114 114    0.1947856736        -57546.25078        0.8052143264    
FOB,PFOB,DIAG,PSTEP=    0.9133448987        0.9133387156         3.174287794        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03332      0.09372      0.91334 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3827563891
 Log product of positive Hessian eigenvalues =          519.0704524277
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1742877937
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000071
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=       -0.0000000035
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=        0.0000000071
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000160
 Unscaled step for mode   64=       -0.0000000007
 Unscaled step for mode   65=        0.0000000109
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=       -0.0000000160
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000127
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=        0.0000000099
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=       -0.0000000018
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=        0.0000000166
 Unscaled step for mode   78=        0.0000000096
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000059
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=       -0.0000000161
 Unscaled step for mode   83=        0.0000000038
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000296
 Unscaled step for mode   86=       -0.0000000091
 Unscaled step for mode   87=       -0.0000000142
 Unscaled step for mode   88=       -0.0000000214
 Unscaled step for mode   89=        0.0000000362
 Unscaled step for mode   90=       -0.0000000371
 Unscaled step for mode   91=        0.0000000512
 Unscaled step for mode   92=        0.0000000647
 Unscaled step for mode   93=        0.0000000632
 Unscaled step for mode   94=        0.0000000128
 Unscaled step for mode   95=       -0.0000000403
 Unscaled step for mode   96=       -0.0000000263
 Unscaled step for mode   97=       -0.0000000779
 Unscaled step for mode   98=        0.0000000165
 Unscaled step for mode   99=       -0.0000000547
 Unscaled step for mode  100=       -0.0000000452
 Unscaled step for mode  101=        0.0000003403
 Unscaled step for mode  102=        0.0000000039
 Unscaled step for mode  103=       -0.0000000936
 Unscaled step for mode  104=        0.0000000676
 Unscaled step for mode  105=       -0.0000002647
 Unscaled step for mode  106=       -0.0000002624
 Unscaled step for mode  107=       -0.0000010634
 Unscaled step for mode  108=       -0.0000014530
 Unscaled step for mode  109=       -0.0000004345
 Unscaled step for mode  110=        0.0000008149
 Unscaled step for mode  111=        0.0000000612
 Unscaled step for mode  112=       -0.0036866153
 Unscaled step for mode  113=       -0.0163123598
 Unscaled step for mode  114=        0.2671907639
 Largest modulus ratio of non-zero e/values=           235.2049789    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.121897E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.197010E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.364292E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.297163E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.548403E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.287021E-14    0.974296E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176563E-06    0.746608E+03  0.236486E-09 0.100000E-04    0.996635E+00
   8   -0.421814E-06    0.674079E+03  0.625764E-09 0.100000E-04    0.955430E+00
   9   -0.754728E-06    0.630636E+03  0.119677E-08 0.100000E-04    0.952587E+00
  10   -0.341699E-07    0.600763E+03  0.568775E-10 0.100000E-04    0.100912E+01
  11    0.240241E-07    0.586378E+03 -0.409703E-10 0.100000E-04    0.875798E+00
  12   -0.107985E-05    0.578885E+03  0.186539E-08 0.100000E-04    0.948583E+00
  13    0.514973E-07    0.564978E+03 -0.911494E-10 0.100000E-04    0.945019E+00
  14    0.457372E-06    0.487460E+03 -0.938276E-09 0.100000E-04    0.938434E+00
  15   -0.448617E-06    0.460631E+03  0.973917E-09 0.100000E-04    0.946008E+00
  16   -0.127127E-06    0.459782E+03  0.276495E-09 0.100000E-04    0.788474E+00
  17   -0.598021E-06    0.441675E+03  0.135398E-08 0.100000E-04    0.911421E+00
  18   -0.438357E-06    0.429361E+03  0.102095E-08 0.100000E-04    0.940972E+00
  19   -0.139267E-06    0.421915E+03  0.330084E-09 0.100000E-04    0.813463E+00
  20   -0.399653E-06    0.407972E+03  0.979608E-09 0.100000E-04    0.929897E+00
  21   -0.447448E-06    0.396346E+03  0.112893E-08 0.100000E-04    0.926618E+00
  22   -0.663915E-06    0.387492E+03  0.171336E-08 0.100000E-04    0.992554E+00
  23    0.851895E-06    0.370022E+03 -0.230228E-08 0.100000E-04    0.930067E+00
  24   -0.452089E-06    0.360565E+03  0.125383E-08 0.100000E-04    0.979860E+00
  25   -0.685490E-07    0.349357E+03  0.196215E-09 0.100000E-04    0.673718E+00
  26   -0.683223E-07    0.335287E+03  0.203773E-09 0.100000E-04    0.597048E+00
  27    0.375964E-06    0.329289E+03 -0.114174E-08 0.100000E-04    0.893728E+00
  28   -0.397739E-06    0.321834E+03  0.123585E-08 0.100000E-04    0.903815E+00
  29   -0.680516E-07    0.319115E+03  0.213251E-09 0.100000E-04    0.380316E+01
  30   -0.140330E-05    0.309413E+03  0.453536E-08 0.100000E-04    0.968112E+00
  31   -0.106784E-05    0.300827E+03  0.354968E-08 0.100000E-04    0.960715E+00
  32   -0.127432E-05    0.290600E+03  0.438514E-08 0.100000E-04    0.973649E+00
  33   -0.191066E-07    0.278970E+03  0.684901E-10 0.100000E-04    0.922982E+00
  34   -0.551339E-07    0.272728E+03  0.202157E-09 0.100000E-04    0.576354E+00
  35    0.107713E-05    0.268534E+03 -0.401114E-08 0.100000E-04    0.974493E+00
  36    0.131015E-05    0.264948E+03 -0.494494E-08 0.100000E-04    0.984842E+00
  37   -0.509365E-06    0.263825E+03  0.193069E-08 0.100000E-04    0.899732E+00
  38   -0.153491E-06    0.253226E+03  0.606143E-09 0.100000E-04    0.985781E+00
  39   -0.351337E-06    0.241569E+03  0.145440E-08 0.100000E-04    0.915373E+00
  40   -0.133165E-05    0.240767E+03  0.553087E-08 0.100000E-04    0.988078E+00
  41   -0.104025E-05    0.233999E+03  0.444555E-08 0.100000E-04    0.995454E+00
  42   -0.176461E-05    0.227514E+03  0.775603E-08 0.100000E-04    0.970113E+00
  43   -0.317760E-07    0.217121E+03  0.146352E-09 0.100000E-04    0.945956E+00
  44   -0.206456E-05    0.214890E+03  0.960754E-08 0.100000E-04    0.971970E+00
  45    0.706856E-06    0.213266E+03 -0.331444E-08 0.100000E-04    0.985131E+00
  46    0.112434E-05    0.207668E+03 -0.541411E-08 0.100000E-04    0.983861E+00
  47   -0.790953E-06    0.203006E+03  0.389621E-08 0.100000E-04    0.969183E+00
  48   -0.122553E-05    0.195447E+03  0.627038E-08 0.100000E-04    0.935436E+00
  49    0.982537E-06    0.194835E+03 -0.504292E-08 0.100000E-04    0.953894E+00
  50    0.136260E-05    0.191354E+03 -0.712084E-08 0.100000E-04    0.885228E+00
  51    0.229574E-06    0.182947E+03 -0.125487E-08 0.100000E-04    0.865870E+00
  52    0.604510E-06    0.174345E+03 -0.346732E-08 0.100000E-04    0.935812E+00
  53    0.920864E-07    0.172333E+03 -0.534352E-09 0.100000E-04    0.817999E+00
  54   -0.227088E-06    0.168211E+03  0.135002E-08 0.100000E-04    0.949643E+00
  55    0.872679E-06    0.163227E+03 -0.534640E-08 0.100000E-04    0.994415E+00
  56    0.140093E-05    0.156878E+03 -0.893006E-08 0.100000E-04    0.975028E+00
  57   -0.391158E-06    0.154903E+03  0.252519E-08 0.100000E-04    0.824490E+00
  58    0.927821E-06    0.152258E+03 -0.609372E-08 0.100000E-04    0.998149E+00
  59    0.668336E-06    0.146676E+03 -0.455655E-08 0.100000E-04    0.998645E+00
  60   -0.215215E-06    0.143354E+03  0.150128E-08 0.100000E-04    0.688570E+00
  61   -0.986928E-06    0.138084E+03  0.714730E-08 0.100000E-04    0.812114E+00
  62   -0.971290E-06    0.135873E+03  0.714851E-08 0.100000E-04    0.975047E+00
  63   -0.209072E-05    0.130296E+03  0.160460E-07 0.100000E-04    0.922636E+00
  64    0.958652E-07    0.128836E+03 -0.744086E-09 0.100000E-04    0.992986E+01
  65   -0.137756E-05    0.126895E+03  0.108559E-07 0.100000E-04    0.887724E+00
  66    0.649679E-06    0.124093E+03 -0.523541E-08 0.100000E-04    0.882833E+00
  67    0.191899E-05    0.120008E+03 -0.159904E-07 0.100000E-04    0.964424E+00
  68    0.462895E-06    0.118165E+03 -0.391735E-08 0.100000E-04    0.934902E+00
  69    0.679685E-07    0.116845E+03 -0.581698E-09 0.100000E-04    0.256786E+01
  70    0.139971E-05    0.110359E+03 -0.126833E-07 0.100000E-04    0.949204E+00
  71   -0.713743E-06    0.106829E+03  0.668116E-08 0.100000E-04    0.923867E+00
  72   -0.103259E-05    0.104449E+03  0.988605E-08 0.100000E-04    0.896442E+00
  73    0.178559E-06    0.102854E+03 -0.173604E-08 0.100000E-04    0.719752E+00
  74    0.554466E-07    0.995136E+02 -0.557176E-09 0.100000E-04    0.582034E+00
  75    0.176404E-06    0.960939E+02 -0.183574E-08 0.100000E-04    0.599982E+00
  76    0.235072E-06    0.941072E+02 -0.249791E-08 0.100000E-04    0.869327E+00
  77   -0.153006E-05    0.919757E+02  0.166355E-07 0.100000E-04    0.966131E+00
  78   -0.874521E-06    0.912275E+02  0.958616E-08 0.100000E-04    0.975121E+00
  79    0.706114E-06    0.884280E+02 -0.798519E-08 0.100000E-04    0.988767E+00
  80    0.505930E-06    0.856037E+02 -0.591014E-08 0.100000E-04    0.915770E+00
  81   -0.130947E-05    0.808334E+02  0.161997E-07 0.100000E-04    0.993608E+00
  82    0.129730E-05    0.804900E+02 -0.161175E-07 0.100000E-04    0.939008E+00
  83   -0.296106E-06    0.779605E+02  0.379815E-08 0.100000E-04    0.868079E+00
  84    0.426578E-06    0.732886E+02 -0.582053E-08 0.100000E-04    0.234955E+00
  85    0.214701E-05    0.725660E+02 -0.295869E-07 0.100000E-04    0.891048E+00
  86    0.618002E-06    0.679226E+02 -0.909862E-08 0.100000E-04    0.845923E+00
  87    0.918658E-06    0.647615E+02 -0.141852E-07 0.100000E-04    0.774289E+00
  88    0.131087E-05    0.613575E+02 -0.213645E-07 0.100000E-04    0.974926E+00
  89   -0.216798E-05    0.598408E+02  0.362291E-07 0.100000E-04    0.947167E+00
  90    0.220121E-05    0.593988E+02 -0.370582E-07 0.100000E-04    0.980154E+00
  91   -0.297630E-05    0.581371E+02  0.511945E-07 0.100000E-04    0.929171E+00
  92   -0.361270E-05    0.558782E+02  0.646531E-07 0.100000E-04    0.954148E+00
  93   -0.331671E-05    0.524476E+02  0.632385E-07 0.100000E-04    0.986047E+00
  94   -0.667056E-06    0.520361E+02  0.128191E-07 0.100000E-04    0.880416E+00
  95    0.202214E-05    0.502313E+02 -0.402566E-07 0.100000E-04    0.879763E+00
  96    0.121362E-05    0.461652E+02 -0.262887E-07 0.100000E-04    0.929702E+00
  97    0.337505E-05    0.433313E+02 -0.778894E-07 0.100000E-04    0.887967E+00
  98   -0.673555E-06    0.409145E+02  0.164625E-07 0.100000E-04    0.504105E+00
  99    0.207308E-05    0.378687E+02 -0.547438E-07 0.100000E-04    0.783531E+00
 100    0.163690E-05    0.362137E+02 -0.452010E-07 0.100000E-04    0.891889E+00
 101   -0.109842E-04    0.322746E+02  0.340334E-06 0.100000E-04    0.946294E+00
 102   -0.111589E-06    0.288963E+02  0.386169E-08 0.100000E-04    0.951327E+00
 103    0.266290E-05    0.284517E+02 -0.935937E-07 0.100000E-04    0.963259E+00
 104   -0.177683E-05    0.262945E+02  0.675741E-07 0.100000E-04    0.882483E+00
 105    0.617717E-05    0.233345E+02 -0.264723E-06 0.100000E-04    0.933242E+00
 106    0.559533E-05    0.213232E+02 -0.262406E-06 0.100000E-04    0.966660E+00
 107    0.211149E-04    0.198555E+02 -0.106343E-05 0.100000E-04    0.925508E+00
 108    0.239131E-04    0.164574E+02 -0.145303E-05 0.100000E-04    0.936664E+00
 109    0.604235E-05    0.139077E+02 -0.434460E-06 0.100000E-04    0.956523E+00
 110   -0.997715E-05    0.122430E+02  0.814925E-06 0.100000E-04    0.844156E+00
 111   -0.617417E-06    0.100914E+02  0.611822E-07 0.100000E-04    0.470951E+01
 112    0.333207E-01    0.903817E+01 -0.100000E-04 0.100000E-04    0.624562E+00
 113    0.937248E-01    0.574410E+01 -0.200051E-04 0.200051E-04    0.202840E+00
 114    0.913345E+00    0.317429E+01  0.100000E-04 0.100000E-04    0.805214E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2000510087E-04    0.2671907639    

 Beginning of optimization cycle  590.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995602489
 potential> RMS force:                                               0.0860499619   |gradient|=.9187621771    
 Eigenvalues of the Hessian matrix:
   746.61217    674.07778    630.63858    600.76098    586.37743    578.88518 
   564.97376    487.45959    460.62999    459.78127    441.67476    429.36200 
   421.91465    407.97081    396.34587    387.49106    370.02260    360.56536 
   349.35654    335.28729    329.28986    321.83421    319.11525    309.41204 
   300.82668    290.60004    278.97089    272.72832    268.53399    264.94847 
   263.82571    253.22573    241.56903    240.76738    233.99963    227.51411 
   217.12191    214.88983    213.26534    207.66810    203.00556    195.44622 
   194.83532    191.35478    182.94731    174.34548    172.33314    168.21116 
   163.22713    156.87774    154.90323    152.25823    146.67522    143.35406 
   138.08443    135.87319    130.29556    128.83637    126.89532    124.09220 
   120.00847    118.16542    116.84472    110.35899    106.82898    104.44966 
   102.85425     99.51357     96.09373     94.10702     91.97525     91.22774 
    88.42751     85.60403     80.83351     80.49069     77.96033     73.28846 
    72.56552     67.92234     64.76108     61.35702     59.84055     59.39893 
    58.13706     55.87801     52.44755     52.03576     50.23182     46.16480 
    43.33186     40.91466     37.86869     36.21344     32.27428     28.89663 
    28.45174     26.29479     23.33440     21.32340     19.85539     16.45731 
    13.90779     12.24306     10.09137      9.03963      5.74428      3.17400 
overlap for current and previous eigenvector    109 is         0.9999999898
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999768
overlap for current and previous eigenvector    112 is         0.9999999422
overlap for current and previous eigenvector    113 is         0.9999999353
overlap for current and previous eigenvector    114 is         0.9999999691
J1,K1,R1,R2,RAT=   7   7   -0.1029259229E-01     2.010282222        0.9897074077    
FOB,PFOB,DIAG,PSTEP=   -0.1783799748E-06   -0.1765626777E-06     746.6121650        0.2364863601E-09
J1,K1,R1,R2,RAT=   8   8    0.5105925901E-01     1.948944130        0.9489407410    
FOB,PFOB,DIAG,PSTEP=   -0.4002768542E-06   -0.4218143456E-06     674.0777757        0.6257640381E-09
J1,K1,R1,R2,RAT=   9   9    0.5491306043E-01     1.945077593        0.9450775930    
FOB,PFOB,DIAG,PSTEP=   -0.7132833345E-06   -0.7547279497E-06     630.6385769        0.1196773405E-08
J1,K1,R1,R2,RAT=  10  10    0.7716772386         1.228330557        0.2283227614    
FOB,PFOB,DIAG,PSTEP=   -0.7801870103E-08   -0.3416990613E-07     600.7609767        0.5687748416E-10
J1,K1,R1,R2,RAT=  11  11    0.1797602170         1.820241568        0.8202397830    
FOB,PFOB,DIAG,PSTEP=    0.1970549959E-07    0.2402406728E-07     586.3774305       -0.4097027716E-10
J1,K1,R1,R2,RAT= 109 109    0.4705068601E-01     1.952940826        0.9529408258    
FOB,PFOB,DIAG,PSTEP=    0.5758049953E-05    0.6042347767E-05     13.90779093       -0.4344596092E-06
J1,K1,R1,R2,RAT= 110 110    0.1601077957         1.839889075        0.8398890751    
FOB,PFOB,DIAG,PSTEP=   -0.8379730163E-05   -0.9977152567E-05     12.24305691        0.8149245933E-06
J1,K1,R1,R2,RAT= 111 111    0.8122962504         1.187718505        0.1877037496    
FOB,PFOB,DIAG,PSTEP=   -0.1158951191E-06   -0.6174166432E-06     10.09137177        0.6118217642E-07
J1,K1,R1,R2,RAT= 112 112    0.4129547112         736.8004748        0.5870452888    
FOB,PFOB,DIAG,PSTEP=    0.3328336517E-01    0.3332069476E-01     9.039633145       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8540028729         1632.058311        0.1459971271    
FOB,PFOB,DIAG,PSTEP=    0.9382294923E-01    0.9372481160E-01     5.744278220       -0.2000510087E-04
J1,K1,R1,R2,RAT= 114 114    0.2501699773        -57551.86669        0.7498300227    
FOB,PFOB,DIAG,PSTEP=    0.9133528391        0.9133448987         3.174002587        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03328      0.09382      0.91335 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3827341752
 Log product of positive Hessian eigenvalues =          519.0705286355
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1740025872
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000004
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=       -0.0000000000
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=       -0.0000000032
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000045
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000058
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000146
 Unscaled step for mode   64=        0.0000000001
 Unscaled step for mode   65=        0.0000000096
 Unscaled step for mode   66=       -0.0000000046
 Unscaled step for mode   67=       -0.0000000153
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000119
 Unscaled step for mode   71=        0.0000000061
 Unscaled step for mode   72=        0.0000000112
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000010
 Unscaled step for mode   75=       -0.0000000033
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=        0.0000000173
 Unscaled step for mode   78=       -0.0000000093
 Unscaled step for mode   79=       -0.0000000078
 Unscaled step for mode   80=       -0.0000000054
 Unscaled step for mode   81=        0.0000000160
 Unscaled step for mode   82=       -0.0000000150
 Unscaled step for mode   83=        0.0000000045
 Unscaled step for mode   84=       -0.0000000028
 Unscaled step for mode   85=       -0.0000000262
 Unscaled step for mode   86=       -0.0000000076
 Unscaled step for mode   87=       -0.0000000110
 Unscaled step for mode   88=       -0.0000000219
 Unscaled step for mode   89=        0.0000000341
 Unscaled step for mode   90=       -0.0000000361
 Unscaled step for mode   91=        0.0000000467
 Unscaled step for mode   92=        0.0000000611
 Unscaled step for mode   93=        0.0000000619
 Unscaled step for mode   94=        0.0000000147
 Unscaled step for mode   95=       -0.0000000353
 Unscaled step for mode   96=       -0.0000000239
 Unscaled step for mode   97=       -0.0000000684
 Unscaled step for mode   98=        0.0000000103
 Unscaled step for mode   99=       -0.0000000433
 Unscaled step for mode  100=       -0.0000000399
 Unscaled step for mode  101=        0.0000003180
 Unscaled step for mode  102=       -0.0000000054
 Unscaled step for mode  103=       -0.0000000897
 Unscaled step for mode  104=        0.0000000794
 Unscaled step for mode  105=       -0.0000002441
 Unscaled step for mode  106=       -0.0000002516
 Unscaled step for mode  107=       -0.0000009719
 Unscaled step for mode  108=       -0.0000013454
 Unscaled step for mode  109=       -0.0000004140
 Unscaled step for mode  110=        0.0000006844
 Unscaled step for mode  111=        0.0000000115
 Unscaled step for mode  112=       -0.0036818877
 Unscaled step for mode  113=       -0.0163289328
 Unscaled step for mode  114=        0.2672135863
 Largest modulus ratio of non-zero e/values=           235.2273335    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.128023E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.378874E-15    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.105422E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.301950E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.469783E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.362939E-14    0.974296E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.178380E-06    0.746612E+03  0.238919E-09 0.100000E-04    0.989707E+00
   8   -0.400277E-06    0.674078E+03  0.593814E-09 0.100000E-04    0.948941E+00
   9   -0.713283E-06    0.630639E+03  0.113105E-08 0.100000E-04    0.945078E+00
  10   -0.780187E-08    0.600761E+03  0.129866E-10 0.100000E-04    0.228323E+00
  11    0.197055E-07    0.586377E+03 -0.336055E-10 0.100000E-04    0.820240E+00
  12   -0.101702E-05    0.578885E+03  0.175687E-08 0.100000E-04    0.941822E+00
  13    0.547851E-07    0.564974E+03 -0.969694E-10 0.100000E-04    0.936156E+00
  14    0.426736E-06    0.487460E+03 -0.875429E-09 0.100000E-04    0.933018E+00
  15   -0.420780E-06    0.460630E+03  0.913488E-09 0.100000E-04    0.937949E+00
  16   -0.100699E-06    0.459781E+03  0.219016E-09 0.100000E-04    0.792113E+00
  17   -0.540983E-06    0.441675E+03  0.122484E-08 0.100000E-04    0.904622E+00
  18   -0.408470E-06    0.429362E+03  0.951342E-09 0.100000E-04    0.931815E+00
  19   -0.176716E-06    0.421915E+03  0.418843E-09 0.100000E-04    0.731102E+00
  20   -0.368263E-06    0.407971E+03  0.902671E-09 0.100000E-04    0.921457E+00
  21   -0.410971E-06    0.396346E+03  0.103690E-08 0.100000E-04    0.918478E+00
  22   -0.656216E-06    0.387491E+03  0.169350E-08 0.100000E-04    0.988403E+00
  23    0.785802E-06    0.370023E+03 -0.212366E-08 0.100000E-04    0.922415E+00
  24   -0.441012E-06    0.360565E+03  0.122311E-08 0.100000E-04    0.975497E+00
  25   -0.106852E-06    0.349357E+03  0.305854E-09 0.100000E-04    0.441227E+00
  26   -0.124788E-06    0.335287E+03  0.372181E-09 0.109000E-04    0.173547E+00
  27    0.331661E-06    0.329290E+03 -0.100720E-08 0.100000E-04    0.882158E+00
  28   -0.354559E-06    0.321834E+03  0.110168E-08 0.100000E-04    0.891438E+00
  29    0.324070E-08    0.319115E+03 -0.101553E-10 0.109000E-04    0.476195E-01
  30   -0.134466E-05    0.309412E+03  0.434586E-08 0.100000E-04    0.958214E+00
  31   -0.101852E-05    0.300827E+03  0.338574E-08 0.100000E-04    0.953812E+00
  32   -0.123222E-05    0.290600E+03  0.424025E-08 0.100000E-04    0.966959E+00
  33    0.289752E-07    0.278971E+03 -0.103864E-09 0.100000E-04    0.483506E+00
  34   -0.105096E-06    0.272728E+03  0.385350E-09 0.109000E-04    0.938069E-01
  35    0.104142E-05    0.268534E+03 -0.387818E-08 0.100000E-04    0.966850E+00
  36    0.128467E-05    0.264948E+03 -0.484877E-08 0.100000E-04    0.980550E+00
  37   -0.454705E-06    0.263826E+03  0.172351E-08 0.100000E-04    0.892687E+00
  38   -0.155765E-06    0.253226E+03  0.615124E-09 0.100000E-04    0.985186E+00
  39   -0.392834E-06    0.241569E+03  0.162618E-08 0.100000E-04    0.881889E+00
  40   -0.131059E-05    0.240767E+03  0.544339E-08 0.100000E-04    0.984181E+00
  41   -0.104626E-05    0.234000E+03  0.447122E-08 0.100000E-04    0.994223E+00
  42   -0.169652E-05    0.227514E+03  0.745678E-08 0.100000E-04    0.961415E+00
  43   -0.280520E-07    0.217122E+03  0.129199E-09 0.100000E-04    0.882797E+00
  44   -0.199473E-05    0.214890E+03  0.928255E-08 0.100000E-04    0.966173E+00
  45    0.717049E-06    0.213265E+03 -0.336224E-08 0.100000E-04    0.985579E+00
  46    0.110439E-05    0.207668E+03 -0.531804E-08 0.100000E-04    0.982253E+00
  47   -0.762990E-06    0.203006E+03  0.375847E-08 0.100000E-04    0.964647E+00
  48   -0.113229E-05    0.195446E+03  0.579337E-08 0.100000E-04    0.923923E+00
  49    0.931747E-06    0.194835E+03 -0.478223E-08 0.100000E-04    0.948304E+00
  50    0.119302E-05    0.191355E+03 -0.623460E-08 0.100000E-04    0.875540E+00
  51    0.196412E-06    0.182947E+03 -0.107360E-08 0.100000E-04    0.855545E+00
  52    0.558876E-06    0.174345E+03 -0.320557E-08 0.100000E-04    0.924504E+00
  53    0.117389E-06    0.172333E+03 -0.681175E-09 0.100000E-04    0.725229E+00
  54   -0.240374E-06    0.168211E+03  0.142900E-08 0.100000E-04    0.941494E+00
  55    0.873302E-06    0.163227E+03 -0.535023E-08 0.100000E-04    0.999286E+00
  56    0.135952E-05    0.156878E+03 -0.866613E-08 0.100000E-04    0.970443E+00
  57   -0.324127E-06    0.154903E+03  0.209245E-08 0.100000E-04    0.828629E+00
  58    0.926115E-06    0.152258E+03 -0.608253E-08 0.100000E-04    0.998162E+00
  59    0.664620E-06    0.146675E+03 -0.453123E-08 0.100000E-04    0.994440E+00
  60   -0.156500E-06    0.143354E+03  0.109170E-08 0.100000E-04    0.727177E+00
  61   -0.801346E-06    0.138084E+03  0.580330E-08 0.100000E-04    0.811954E+00
  62   -0.940368E-06    0.135873E+03  0.692092E-08 0.100000E-04    0.968163E+00
  63   -0.190759E-05    0.130296E+03  0.146405E-07 0.100000E-04    0.912407E+00
  64   -0.106915E-07    0.128836E+03  0.829848E-10 0.109000E-04    0.111524E+00
  65   -0.121382E-05    0.126895E+03  0.956552E-08 0.100000E-04    0.881135E+00
  66    0.570993E-06    0.124092E+03 -0.460136E-08 0.100000E-04    0.878883E+00
  67    0.183744E-05    0.120008E+03 -0.153109E-07 0.100000E-04    0.957501E+00
  68    0.428950E-06    0.118165E+03 -0.363008E-08 0.100000E-04    0.926665E+00
  69    0.943015E-08    0.116845E+03 -0.807067E-10 0.109000E-04    0.138740E+00
  70    0.131760E-05    0.110359E+03 -0.119392E-07 0.100000E-04    0.941334E+00
  71   -0.653728E-06    0.106829E+03  0.611939E-08 0.100000E-04    0.915915E+00
  72   -0.117455E-05    0.104450E+03  0.112451E-07 0.100000E-04    0.862526E+00
  73    0.131752E-06    0.102854E+03 -0.128096E-08 0.100000E-04    0.737862E+00
  74    0.100114E-06    0.995136E+02 -0.100603E-08 0.109000E-04    0.194407E+00
  75    0.312461E-06    0.960937E+02 -0.325162E-08 0.100000E-04    0.228715E+00
  76    0.201083E-06    0.941070E+02 -0.213674E-08 0.100000E-04    0.855409E+00
  77   -0.159008E-05    0.919752E+02  0.172881E-07 0.100000E-04    0.960776E+00
  78    0.844739E-06    0.912277E+02 -0.925968E-08 0.100000E-04    0.965940E+00
  79    0.693367E-06    0.884275E+02 -0.784108E-08 0.100000E-04    0.981947E+00
  80    0.460733E-06    0.856040E+02 -0.538214E-08 0.100000E-04    0.910658E+00
  81   -0.129536E-05    0.808335E+02  0.160251E-07 0.100000E-04    0.989221E+00
  82    0.120698E-05    0.804907E+02 -0.149952E-07 0.100000E-04    0.930362E+00
  83   -0.348577E-06    0.779603E+02  0.447121E-08 0.100000E-04    0.822796E+00
  84    0.206631E-06    0.732885E+02 -0.281943E-08 0.100000E-04    0.484391E+00
  85    0.190181E-05    0.725655E+02 -0.262082E-07 0.100000E-04    0.885795E+00
  86    0.517635E-06    0.679223E+02 -0.762098E-08 0.100000E-04    0.837593E+00
  87    0.711521E-06    0.647611E+02 -0.109869E-07 0.100000E-04    0.774520E+00
  88    0.134244E-05    0.613570E+02 -0.218792E-07 0.100000E-04    0.975917E+00
  89   -0.204042E-05    0.598405E+02  0.340976E-07 0.100000E-04    0.941161E+00
  90    0.214471E-05    0.593989E+02 -0.361069E-07 0.100000E-04    0.974327E+00
  91   -0.271568E-05    0.581371E+02  0.467117E-07 0.100000E-04    0.912436E+00
  92   -0.341136E-05    0.558780E+02  0.610500E-07 0.100000E-04    0.944268E+00
  93   -0.324789E-05    0.524476E+02  0.619264E-07 0.100000E-04    0.979250E+00
  94   -0.766722E-06    0.520358E+02  0.147345E-07 0.100000E-04    0.850586E+00
  95    0.177333E-05    0.502318E+02 -0.353029E-07 0.100000E-04    0.876934E+00
  96    0.110366E-05    0.461648E+02 -0.239069E-07 0.100000E-04    0.909390E+00
  97    0.296584E-05    0.433319E+02 -0.684449E-07 0.100000E-04    0.878731E+00
  98   -0.419729E-06    0.409147E+02  0.102586E-07 0.100000E-04    0.623150E+00
  99    0.163936E-05    0.378687E+02 -0.432905E-07 0.100000E-04    0.790783E+00
 100    0.144573E-05    0.362134E+02 -0.399225E-07 0.100000E-04    0.883214E+00
 101   -0.102637E-04    0.322743E+02  0.318016E-06 0.100000E-04    0.934411E+00
 102    0.157346E-06    0.288966E+02 -0.544513E-08 0.100000E-04    0.589951E+00
 103    0.255179E-05    0.284517E+02 -0.896885E-07 0.100000E-04    0.958273E+00
 104   -0.208733E-05    0.262948E+02  0.793817E-07 0.100000E-04    0.825253E+00
 105    0.569645E-05    0.233344E+02 -0.244123E-06 0.100000E-04    0.922178E+00
 106    0.536537E-05    0.213234E+02 -0.251619E-06 0.100000E-04    0.958878E+00
 107    0.192975E-04    0.198554E+02 -0.971904E-06 0.100000E-04    0.913927E+00
 108    0.221424E-04    0.164573E+02 -0.134545E-05 0.100000E-04    0.925954E+00
 109    0.575805E-05    0.139078E+02 -0.414016E-06 0.100000E-04    0.952941E+00
 110   -0.837973E-05    0.122431E+02  0.684448E-06 0.100000E-04    0.839889E+00
 111   -0.115895E-06    0.100914E+02  0.114846E-07 0.109000E-04    0.187704E+00
 112    0.332834E-01    0.903963E+01 -0.100000E-04 0.100000E-04    0.587045E+00
 113    0.938229E-01    0.574428E+01 -0.218056E-04 0.218056E-04    0.145997E+00
 114    0.913353E+00    0.317400E+01  0.100000E-04 0.100000E-04    0.749830E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2180555995E-04    0.2672135863    

 Beginning of optimization cycle  591.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995534922
 potential> RMS force:                                               0.0860514126   |gradient|=.9187776660    
 Eigenvalues of the Hessian matrix:
   746.61612    674.07643    630.64162    600.75865    586.37684    578.88545 
   564.96970    487.45923    460.62863    459.78071    441.67414    429.36331 
   421.91402    407.96913    396.34529    387.48959    370.02309    360.56554 
   349.35580    335.28793    329.29076    321.83396    319.11592    309.41086 
   300.82609    290.60010    278.97239    272.72878    268.53423    264.94880 
   263.82638    253.22511    241.56930    240.76783    234.00043    227.51444 
   217.12263    214.88997    213.26505    207.66860    203.00513    195.44540 
   194.83570    191.35525    182.94805    174.34622    172.33338    168.21144 
   163.22680    156.87752    154.90375    152.25804    146.67459    143.35366 
   138.08496    135.87319    130.29529    128.83659    126.89553    124.09106 
   120.00865    118.16555    116.84429    110.35923    106.82880    104.44990 
   102.85432     99.51350     96.09353     94.10680     91.97484     91.22796 
    88.42699     85.60434     80.83359     80.49138     77.96011     73.28824 
    72.56494     67.92205     64.76061     61.35654     59.84032     59.39904 
    58.13701     55.87779     52.44745     52.03538     50.23242     46.16436 
    43.33244     40.91477     37.86864     36.21310     32.27389     28.89696 
    28.45180     26.29506     23.33431     21.32364     19.85530     16.45720 
    13.90785     12.24308     10.09130      9.04118      5.74447      3.17371 
overlap for current and previous eigenvector    109 is         0.9999999884
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999727
overlap for current and previous eigenvector    112 is         0.9999999344
overlap for current and previous eigenvector    113 is         0.9999999284
overlap for current and previous eigenvector    114 is         0.9999999654
J1,K1,R1,R2,RAT=   7   7    0.3354333584E-02     1.996635064        0.9966350639    
FOB,PFOB,DIAG,PSTEP=   -0.1777816257E-06   -0.1783799748E-06     746.6161230        0.2389191915E-09
J1,K1,R1,R2,RAT=   8   8   -0.4416366753E-01     2.044167650        0.9558363325    
FOB,PFOB,DIAG,PSTEP=   -0.4179545129E-06   -0.4002768542E-06     674.0764334        0.5938140503E-09
J1,K1,R1,R2,RAT=   9   9   -0.4698580282E-01     2.046976149        0.9530141972    
FOB,PFOB,DIAG,PSTEP=   -0.7467976864E-06   -0.7132833345E-06     630.6416209        0.1131049322E-08
J1,K1,R1,R2,RAT=  10  10    -2.875498574         4.875506317         1.875498574    
FOB,PFOB,DIAG,PSTEP=   -0.3023604961E-07   -0.7801870103E-08     600.7586511        0.1298664595E-10
J1,K1,R1,R2,RAT=  11  11   -0.1307399551         2.130741962        0.8692600449    
FOB,PFOB,DIAG,PSTEP=    0.2228179314E-07    0.1970549959E-07     586.3768422       -0.3360548780E-10
J1,K1,R1,R2,RAT= 109 109   -0.4278098425E-01     2.042772317        0.9572190157    
FOB,PFOB,DIAG,PSTEP=    0.6004386064E-05    0.5758049953E-05     13.90785120       -0.4140161427E-06
J1,K1,R1,R2,RAT= 110 110   -0.1576873130         2.157684201        0.8423126870    
FOB,PFOB,DIAG,PSTEP=   -0.9701109352E-05   -0.8379730163E-05     12.24307597        0.6844475380E-06
J1,K1,R1,R2,RAT= 111 111    -4.474886415         6.474900767         3.474886415    
FOB,PFOB,DIAG,PSTEP=   -0.6345088914E-06   -0.1158951191E-06     10.09129936        0.1148457531E-07
J1,K1,R1,R2,RAT= 112 112    0.3826402816         735.8786763        0.6173597184    
FOB,PFOB,DIAG,PSTEP=    0.3324876996E-01    0.3328336517E-01     9.041182640       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8014873433         1498.836007        0.1985126567    
FOB,PFOB,DIAG,PSTEP=    0.9392334465E-01    0.9382294923E-01     5.744470606       -0.2180555995E-04
J1,K1,R1,R2,RAT= 114 114    0.2055059140        -57557.66877        0.7944940860    
FOB,PFOB,DIAG,PSTEP=    0.9133593613        0.9133528391         3.173707760        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03325      0.09392      0.91336 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3827133288
 Log product of positive Hessian eigenvalues =          519.0706100555
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1737077601
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000045
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000034
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000045
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000069
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000158
 Unscaled step for mode   64=       -0.0000000006
 Unscaled step for mode   65=        0.0000000106
 Unscaled step for mode   66=       -0.0000000051
 Unscaled step for mode   67=       -0.0000000158
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000125
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=        0.0000000101
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=       -0.0000000020
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=       -0.0000000167
 Unscaled step for mode   78=       -0.0000000095
 Unscaled step for mode   79=       -0.0000000079
 Unscaled step for mode   80=       -0.0000000058
 Unscaled step for mode   81=        0.0000000161
 Unscaled step for mode   82=       -0.0000000159
 Unscaled step for mode   83=        0.0000000039
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=       -0.0000000291
 Unscaled step for mode   86=       -0.0000000088
 Unscaled step for mode   87=       -0.0000000136
 Unscaled step for mode   88=       -0.0000000213
 Unscaled step for mode   89=        0.0000000359
 Unscaled step for mode   90=       -0.0000000368
 Unscaled step for mode   91=        0.0000000500
 Unscaled step for mode   92=        0.0000000638
 Unscaled step for mode   93=        0.0000000628
 Unscaled step for mode   94=        0.0000000130
 Unscaled step for mode   95=       -0.0000000395
 Unscaled step for mode   96=       -0.0000000256
 Unscaled step for mode   97=       -0.0000000761
 Unscaled step for mode   98=        0.0000000156
 Unscaled step for mode   99=       -0.0000000529
 Unscaled step for mode  100=       -0.0000000443
 Unscaled step for mode  101=        0.0000003351
 Unscaled step for mode  102=        0.0000000020
 Unscaled step for mode  103=       -0.0000000929
 Unscaled step for mode  104=        0.0000000705
 Unscaled step for mode  105=       -0.0000002604
 Unscaled step for mode  106=       -0.0000002599
 Unscaled step for mode  107=       -0.0000010444
 Unscaled step for mode  108=       -0.0000014305
 Unscaled step for mode  109=       -0.0000004317
 Unscaled step for mode  110=        0.0000007924
 Unscaled step for mode  111=        0.0000000629
 Unscaled step for mode  112=       -0.0036774304
 Unscaled step for mode  113=       -0.0163458491
 Unscaled step for mode  114=        0.2672367545
 Largest modulus ratio of non-zero e/values=           235.2504324    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.434982E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.168068E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.653208E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.382940E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.316316E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.367211E-14    0.974296E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177782E-06    0.746616E+03  0.238117E-09 0.100000E-04    0.996635E+00
   8   -0.417955E-06    0.674076E+03  0.620040E-09 0.100000E-04    0.955836E+00
   9   -0.746798E-06    0.630642E+03  0.118419E-08 0.100000E-04    0.953014E+00
  10   -0.302360E-07    0.600759E+03  0.503298E-10 0.100000E-04    0.187550E+01
  11    0.222818E-07    0.586377E+03 -0.379991E-10 0.100000E-04    0.869260E+00
  12   -0.106884E-05    0.578885E+03  0.184638E-08 0.100000E-04    0.949047E+00
  13    0.518323E-07    0.564970E+03 -0.917435E-10 0.100000E-04    0.946101E+00
  14    0.452768E-06    0.487459E+03 -0.928832E-09 0.100000E-04    0.938998E+00
  15   -0.443343E-06    0.460629E+03  0.962473E-09 0.100000E-04    0.946379E+00
  16   -0.122507E-06    0.459781E+03  0.266447E-09 0.100000E-04    0.783437E+00
  17   -0.588771E-06    0.441674E+03  0.133304E-08 0.100000E-04    0.911665E+00
  18   -0.432452E-06    0.429363E+03  0.100719E-08 0.100000E-04    0.941289E+00
  19   -0.145308E-06    0.421914E+03  0.344402E-09 0.100000E-04    0.822268E+00
  20   -0.393954E-06    0.407969E+03  0.965648E-09 0.100000E-04    0.930237E+00
  21   -0.441013E-06    0.396345E+03  0.111270E-08 0.100000E-04    0.926900E+00
  22   -0.660987E-06    0.387490E+03  0.170582E-08 0.100000E-04    0.992729E+00
  23    0.840460E-06    0.370023E+03 -0.227137E-08 0.100000E-04    0.930443E+00
  24   -0.449733E-06    0.360566E+03  0.124730E-08 0.100000E-04    0.980225E+00
  25   -0.742177E-07    0.349356E+03  0.212442E-09 0.100000E-04    0.694582E+00
  26   -0.794230E-07    0.335288E+03  0.236880E-09 0.100000E-04    0.636462E+00
  27    0.367129E-06    0.329291E+03 -0.111491E-08 0.100000E-04    0.893059E+00
  28   -0.388840E-06    0.321834E+03  0.120820E-08 0.100000E-04    0.903315E+00
  29   -0.521515E-07    0.319116E+03  0.163425E-09 0.100000E-04    0.140926E+02
  30   -0.138723E-05    0.309411E+03  0.448345E-08 0.100000E-04    0.968344E+00
  31   -0.105813E-05    0.300826E+03  0.351741E-08 0.100000E-04    0.961112E+00
  32   -0.126430E-05    0.290600E+03  0.435067E-08 0.100000E-04    0.973959E+00
  33   -0.101840E-07    0.278972E+03  0.365052E-10 0.100000E-04    0.351465E+00
  34   -0.652221E-07    0.272729E+03  0.239146E-09 0.100000E-04    0.620593E+00
  35    0.106769E-05    0.268534E+03 -0.397599E-08 0.100000E-04    0.974777E+00
  36    0.130379E-05    0.264949E+03 -0.492091E-08 0.100000E-04    0.985121E+00
  37   -0.500299E-06    0.263826E+03  0.189632E-08 0.100000E-04    0.899729E+00
  38   -0.153552E-06    0.253225E+03  0.606384E-09 0.100000E-04    0.985789E+00
  39   -0.360894E-06    0.241569E+03  0.149395E-08 0.100000E-04    0.918690E+00
  40   -0.132593E-05    0.240768E+03  0.550708E-08 0.100000E-04    0.988299E+00
  41   -0.104151E-05    0.234000E+03  0.445091E-08 0.100000E-04    0.995454E+00
  42   -0.174673E-05    0.227514E+03  0.767745E-08 0.100000E-04    0.970405E+00
  43   -0.296334E-07    0.217123E+03  0.136482E-09 0.100000E-04    0.943627E+00
  44   -0.204989E-05    0.214890E+03  0.953924E-08 0.100000E-04    0.972347E+00
  45    0.706517E-06    0.213265E+03 -0.331286E-08 0.100000E-04    0.985311E+00
  46    0.112186E-05    0.207669E+03 -0.540218E-08 0.100000E-04    0.984176E+00
  47   -0.786165E-06    0.203005E+03  0.387264E-08 0.100000E-04    0.969627E+00
  48   -0.120531E-05    0.195445E+03  0.616701E-08 0.100000E-04    0.935510E+00
  49    0.974286E-06    0.194836E+03 -0.500055E-08 0.100000E-04    0.954345E+00
  50    0.133076E-05    0.191355E+03 -0.695437E-08 0.100000E-04    0.884549E+00
  51    0.223091E-06    0.182948E+03 -0.121942E-08 0.100000E-04    0.864171E+00
  52    0.594699E-06    0.174346E+03 -0.341102E-08 0.100000E-04    0.935903E+00
  53    0.972818E-07    0.172333E+03 -0.564498E-09 0.100000E-04    0.828709E+00
  54   -0.228533E-06    0.168211E+03  0.135861E-08 0.100000E-04    0.950737E+00
  55    0.868375E-06    0.163227E+03 -0.532005E-08 0.100000E-04    0.994358E+00
  56    0.139297E-05    0.156878E+03 -0.887933E-08 0.100000E-04    0.975400E+00
  57   -0.381478E-06    0.154904E+03  0.246268E-08 0.100000E-04    0.823062E+00
  58    0.924374E-06    0.152258E+03 -0.607110E-08 0.100000E-04    0.998120E+00
  59    0.665436E-06    0.146675E+03 -0.453682E-08 0.100000E-04    0.998772E+00
  60   -0.206710E-06    0.143354E+03  0.144196E-08 0.100000E-04    0.679166E+00
  61   -0.954708E-06    0.138085E+03  0.691392E-08 0.100000E-04    0.808620E+00
  62   -0.963565E-06    0.135873E+03  0.709165E-08 0.100000E-04    0.975331E+00
  63   -0.205510E-05    0.130295E+03  0.157726E-07 0.100000E-04    0.922671E+00
  64    0.757104E-07    0.128837E+03 -0.587647E-09 0.100000E-04    0.508138E+01
  65   -0.135035E-05    0.126896E+03  0.106414E-07 0.100000E-04    0.887520E+00
  66    0.637992E-06    0.124091E+03 -0.514132E-08 0.100000E-04    0.882661E+00
  67    0.190209E-05    0.120009E+03 -0.158496E-07 0.100000E-04    0.964815E+00
  68    0.456702E-06    0.118166E+03 -0.386493E-08 0.100000E-04    0.935302E+00
  69    0.615748E-07    0.116844E+03 -0.526982E-09 0.100000E-04    0.452959E+01
  70    0.138397E-05    0.110359E+03 -0.125406E-07 0.100000E-04    0.949628E+00
  71   -0.703410E-06    0.106829E+03  0.658446E-08 0.100000E-04    0.924001E+00
  72   -0.105722E-05    0.104450E+03  0.101218E-07 0.100000E-04    0.900106E+00
  73    0.170057E-06    0.102854E+03 -0.165337E-08 0.100000E-04    0.709268E+00
  74    0.610069E-07    0.995135E+02 -0.613052E-09 0.100000E-04    0.609374E+00
  75    0.196837E-06    0.960935E+02 -0.204839E-08 0.100000E-04    0.629957E+00
  76    0.227641E-06    0.941068E+02 -0.241897E-08 0.100000E-04    0.867921E+00
  77    0.153729E-05    0.919748E+02 -0.167143E-07 0.100000E-04    0.966803E+00
  78    0.865522E-06    0.912280E+02 -0.948747E-08 0.100000E-04    0.975397E+00
  79    0.701080E-06    0.884270E+02 -0.792835E-08 0.100000E-04    0.988876E+00
  80    0.499425E-06    0.856043E+02 -0.583411E-08 0.100000E-04    0.916020E+00
  81   -0.130343E-05    0.808336E+02  0.161249E-07 0.100000E-04    0.993768E+00
  82    0.128024E-05    0.804914E+02 -0.159053E-07 0.100000E-04    0.939300E+00
  83   -0.304194E-06    0.779601E+02  0.390192E-08 0.100000E-04    0.872674E+00
  84    0.388198E-06    0.732882E+02 -0.529686E-08 0.109000E-04    0.121300E+00
  85    0.210911E-05    0.725649E+02 -0.290651E-07 0.100000E-04    0.890999E+00
  86    0.598613E-06    0.679220E+02 -0.881323E-08 0.100000E-04    0.843561E+00
  87    0.877819E-06    0.647606E+02 -0.135548E-07 0.100000E-04    0.766275E+00
  88    0.130899E-05    0.613565E+02 -0.213342E-07 0.100000E-04    0.975086E+00
  89   -0.214703E-05    0.598403E+02  0.358794E-07 0.100000E-04    0.947749E+00
  90    0.218684E-05    0.593990E+02 -0.368161E-07 0.100000E-04    0.980357E+00
  91   -0.290879E-05    0.581370E+02  0.500334E-07 0.100000E-04    0.928889E+00
  92   -0.356698E-05    0.558778E+02  0.638354E-07 0.100000E-04    0.954379E+00
  93   -0.329260E-05    0.524474E+02  0.627790E-07 0.100000E-04    0.986234E+00
  94   -0.677505E-06    0.520354E+02  0.130201E-07 0.100000E-04    0.883638E+00
  95    0.198660E-05    0.502324E+02 -0.395481E-07 0.100000E-04    0.879735E+00
  96    0.118180E-05    0.461644E+02 -0.255998E-07 0.100000E-04    0.929196E+00
  97    0.329955E-05    0.433324E+02 -0.761450E-07 0.100000E-04    0.887485E+00
  98   -0.639190E-06    0.409148E+02  0.156225E-07 0.100000E-04    0.477138E+00
  99    0.200180E-05    0.378686E+02 -0.528617E-07 0.100000E-04    0.778908E+00
 100    0.160254E-05    0.362131E+02 -0.442530E-07 0.100000E-04    0.891537E+00
 101   -0.108134E-04    0.322739E+02  0.335052E-06 0.100000E-04    0.946443E+00
 102   -0.571143E-07    0.288970E+02  0.197648E-08 0.100000E-04    0.362970E+00
 103    0.264437E-05    0.284518E+02 -0.929420E-07 0.100000E-04    0.963722E+00
 104   -0.185385E-05    0.262951E+02  0.705018E-07 0.100000E-04    0.888126E+00
 105    0.607633E-05    0.233343E+02 -0.260403E-06 0.100000E-04    0.933312E+00
 106    0.554188E-05    0.213236E+02 -0.259894E-06 0.100000E-04    0.967102E+00
 107    0.207359E-04    0.198553E+02 -0.104435E-05 0.100000E-04    0.925462E+00
 108    0.235417E-04    0.164572E+02 -0.143048E-05 0.100000E-04    0.936805E+00
 109    0.600439E-05    0.139079E+02 -0.431726E-06 0.100000E-04    0.957219E+00
 110   -0.970111E-05    0.122431E+02  0.792375E-06 0.100000E-04    0.842313E+00
 111   -0.634509E-06    0.100913E+02  0.628768E-07 0.100000E-04    0.347489E+01
 112    0.332488E-01    0.904118E+01 -0.100000E-04 0.100000E-04    0.617360E+00
 113    0.939233E-01    0.574447E+01 -0.237681E-04 0.237681E-04    0.198513E+00
 114    0.913359E+00    0.317371E+01  0.100000E-04 0.100000E-04    0.794494E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2376806034E-04    0.2672367545    

 Beginning of optimization cycle  592.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995469212
 potential> RMS force:                                               0.0860527540   |gradient|=.9187919882    
 Eigenvalues of the Hessian matrix:
   746.62024    674.07494    630.64480    600.75631    586.37619    578.88575 
   564.96538    487.45877    460.62724    459.78012    441.67346    429.36478 
   421.91339    407.96737    396.34468    387.48809    370.02358    360.56574 
   349.35509    335.28864    329.29170    321.83367    319.11672    309.40965 
   300.82552    290.60017    278.97399    272.72927    268.53452    264.94916 
   263.82710    253.22452    241.56964    240.76830    234.00130    227.51484 
   217.12343    214.89012    213.26474    207.66914    203.00468    195.44454 
   194.83614    191.35575    182.94886    174.34702    172.33364    168.21175 
   163.22644    156.87729    154.90431    152.25785    146.67394    143.35321 
   138.08553    135.87320    130.29499    128.83682    126.89572    124.08985 
   120.00884    118.16568    116.84381    110.35949    106.82860    104.45013 
   102.85439     99.51341     96.09330     94.10654     91.97442     91.22821 
    88.42644     85.60467     80.83367     80.49213     77.95987     73.28799 
    72.56430     67.92170     64.76010     61.35605     59.84007     59.39913 
    58.13694     55.87753     52.44732     52.03496     50.23305     46.16390 
    43.33305     40.91488     37.86857     36.21267     32.27349     28.89731 
    28.45187     26.29536     23.33421     21.32386     19.85521     16.45709 
    13.90791     12.24309     10.09123      9.04282      5.74468      3.17340 
overlap for current and previous eigenvector    109 is         0.9999999870
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999680
overlap for current and previous eigenvector    112 is         0.9999999259
overlap for current and previous eigenvector    113 is         0.9999999195
overlap for current and previous eigenvector    114 is         0.9999999601
J1,K1,R1,R2,RAT=   7   7    0.3602802789E-01     1.963960940        0.9639609395    
FOB,PFOB,DIAG,PSTEP=   -0.1713764690E-06   -0.1777816257E-06     746.6202416        0.2381165102E-09
J1,K1,R1,R2,RAT=   8   8   -0.4591829219E-01     2.045922737        0.9540817078    
FOB,PFOB,DIAG,PSTEP=   -0.4371462277E-06   -0.4179545129E-06     674.0749354        0.6200402390E-09
J1,K1,R1,R2,RAT=   9   9   -0.5183373337E-01     2.051823636        0.9481662666    
FOB,PFOB,DIAG,PSTEP=   -0.7855071940E-06   -0.7467976864E-06     630.6448048        0.1184187123E-08
J1,K1,R1,R2,RAT=  10  10   -0.7331689665         2.733176764        0.2668310335    
FOB,PFOB,DIAG,PSTEP=   -0.5240409643E-07   -0.3023604961E-07     600.7563088        0.5032977812E-10
J1,K1,R1,R2,RAT=  11  11   -0.2819550390         2.281957274        0.7180449610    
FOB,PFOB,DIAG,PSTEP=    0.2856424997E-07    0.2228179314E-07     586.3761869       -0.3799910148E-10
J1,K1,R1,R2,RAT= 109 109   -0.2191266631E-01     2.021904080        0.9780873337    
FOB,PFOB,DIAG,PSTEP=    0.6135958738E-05    0.6004386064E-05     13.90791090       -0.4317263666E-06
J1,K1,R1,R2,RAT= 110 110   -0.1490263257         2.149023833        0.8509736743    
FOB,PFOB,DIAG,PSTEP=   -0.1114683184E-04   -0.9701109352E-05     12.24309122        0.7923751660E-06
J1,K1,R1,R2,RAT= 111 111   -0.3058546183         2.305869293        0.6941453817    
FOB,PFOB,DIAG,PSTEP=   -0.8285749422E-06   -0.6345088914E-06     10.09122531        0.6287682774E-07
J1,K1,R1,R2,RAT= 112 112    0.3503127769         735.0127710        0.6496872231    
FOB,PFOB,DIAG,PSTEP=    0.3321709182E-01    0.3324876996E-01     9.042817268       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7768541243         1376.540321        0.2231458757    
FOB,PFOB,DIAG,PSTEP=    0.9402941629E-01    0.9392334465E-01     5.744682504       -0.2376806034E-04
J1,K1,R1,R2,RAT= 114 114    0.1464027060        -57563.54850        0.8535972940    
FOB,PFOB,DIAG,PSTEP=    0.9133640072        0.9133593613         3.173402988        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00003 
     0.00001     -0.00001     -0.00000      0.03322      0.09403      0.91336 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3826937244
 Log product of positive Hessian eigenvalues =          519.0706950801
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1734029884
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000013
 Unscaled step for mode   40=        0.0000000056
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000080
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000098
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000040
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000078
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=       -0.0000000037
 Unscaled step for mode   53=       -0.0000000004
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000028
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000018
 Unscaled step for mode   61=        0.0000000081
 Unscaled step for mode   62=        0.0000000074
 Unscaled step for mode   63=       -0.0000000172
 Unscaled step for mode   64=        0.0000000015
 Unscaled step for mode   65=       -0.0000000117
 Unscaled step for mode   66=        0.0000000057
 Unscaled step for mode   67=        0.0000000165
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=       -0.0000000008
 Unscaled step for mode   70=       -0.0000000132
 Unscaled step for mode   71=        0.0000000071
 Unscaled step for mode   72=        0.0000000088
 Unscaled step for mode   73=       -0.0000000020
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=       -0.0000000008
 Unscaled step for mode   76=       -0.0000000027
 Unscaled step for mode   77=        0.0000000162
 Unscaled step for mode   78=        0.0000000099
 Unscaled step for mode   79=       -0.0000000083
 Unscaled step for mode   80=       -0.0000000063
 Unscaled step for mode   81=        0.0000000164
 Unscaled step for mode   82=       -0.0000000169
 Unscaled step for mode   83=        0.0000000032
 Unscaled step for mode   84=       -0.0000000080
 Unscaled step for mode   85=       -0.0000000318
 Unscaled step for mode   86=       -0.0000000102
 Unscaled step for mode   87=       -0.0000000167
 Unscaled step for mode   88=       -0.0000000208
 Unscaled step for mode   89=        0.0000000374
 Unscaled step for mode   90=       -0.0000000383
 Unscaled step for mode   91=        0.0000000554
 Unscaled step for mode   92=        0.0000000682
 Unscaled step for mode   93=        0.0000000650
 Unscaled step for mode   94=        0.0000000117
 Unscaled step for mode   95=       -0.0000000434
 Unscaled step for mode   96=       -0.0000000287
 Unscaled step for mode   97=        0.0000000846
 Unscaled step for mode   98=        0.0000000203
 Unscaled step for mode   99=       -0.0000000626
 Unscaled step for mode  100=       -0.0000000491
 Unscaled step for mode  101=        0.0000003613
 Unscaled step for mode  102=        0.0000000122
 Unscaled step for mode  103=       -0.0000000957
 Unscaled step for mode  104=        0.0000000522
 Unscaled step for mode  105=       -0.0000002832
 Unscaled step for mode  106=       -0.0000002693
 Unscaled step for mode  107=       -0.0000011431
 Unscaled step for mode  108=       -0.0000015454
 Unscaled step for mode  109=       -0.0000004412
 Unscaled step for mode  110=        0.0000009105
 Unscaled step for mode  111=        0.0000000821
 Unscaled step for mode  112=       -0.0036732627
 Unscaled step for mode  113=       -0.0163636960
 Unscaled step for mode  114=        0.2672601760
 Largest modulus ratio of non-zero e/values=           235.2743236    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.122352E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.132061E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.680032E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.468375E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.577622E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.367093E-14    0.974296E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171376E-06    0.746620E+03  0.229536E-09 0.100000E-04    0.963961E+00
   8   -0.437146E-06    0.674075E+03  0.648513E-09 0.100000E-04    0.954082E+00
   9   -0.785507E-06    0.630645E+03  0.124556E-08 0.100000E-04    0.948166E+00
  10   -0.524041E-07    0.600756E+03  0.872302E-10 0.100000E-04    0.266831E+00
  11    0.285642E-07    0.586376E+03 -0.487132E-10 0.100000E-04    0.718045E+00
  12   -0.112221E-05    0.578886E+03  0.193857E-08 0.100000E-04    0.950070E+00
  13    0.493980E-07    0.564965E+03 -0.874354E-10 0.100000E-04    0.953035E+00
  14    0.474140E-06    0.487459E+03 -0.972677E-09 0.100000E-04    0.952796E+00
  15   -0.470478E-06    0.460627E+03  0.102139E-08 0.100000E-04    0.938794E+00
  16   -0.148261E-06    0.459780E+03  0.322460E-09 0.100000E-04    0.789779E+00
  17   -0.640265E-06    0.441673E+03  0.144963E-08 0.100000E-04    0.912539E+00
  18   -0.461095E-06    0.429365E+03  0.107390E-08 0.100000E-04    0.933765E+00
  19   -0.113740E-06    0.421913E+03  0.269581E-09 0.100000E-04    0.782749E+00
  20   -0.420938E-06    0.407967E+03  0.103179E-08 0.100000E-04    0.931505E+00
  21   -0.473840E-06    0.396345E+03  0.119553E-08 0.100000E-04    0.925564E+00
  22   -0.671803E-06    0.387488E+03  0.173374E-08 0.100000E-04    0.983637E+00
  23    0.896878E-06    0.370024E+03 -0.242384E-08 0.100000E-04    0.932872E+00
  24   -0.459835E-06    0.360566E+03  0.127532E-08 0.100000E-04    0.977538E+00
  25   -0.438091E-07    0.349355E+03  0.125400E-09 0.100000E-04    0.590277E+00
  26   -0.193209E-07    0.335289E+03  0.576245E-10 0.100000E-04    0.243263E+00
  27    0.413337E-06    0.329292E+03 -0.125523E-08 0.100000E-04    0.874139E+00
  28   -0.436190E-06    0.321834E+03  0.135533E-08 0.100000E-04    0.878227E+00
  29   -0.138264E-06    0.319117E+03  0.433271E-09 0.100000E-04    0.651196E+00
  30   -0.146304E-05    0.309410E+03  0.472847E-08 0.100000E-04    0.945352E+00
  31   -0.110687E-05    0.300826E+03  0.367945E-08 0.100000E-04    0.953935E+00
  32   -0.131258E-05    0.290600E+03  0.451681E-08 0.100000E-04    0.961813E+00
  33   -0.595324E-07    0.278974E+03  0.213398E-09 0.100000E-04    0.384568E+01
  34   -0.980662E-08    0.272729E+03  0.359573E-10 0.109000E-04    0.150355E+00
  35    0.110929E-05    0.268535E+03 -0.413089E-08 0.100000E-04    0.961040E+00
  36    0.132573E-05    0.264949E+03 -0.500372E-08 0.100000E-04    0.983171E+00
  37   -0.549534E-06    0.263827E+03  0.208293E-08 0.100000E-04    0.901589E+00
  38   -0.151158E-06    0.253225E+03  0.596932E-09 0.100000E-04    0.984411E+00
  39   -0.320215E-06    0.241570E+03  0.132556E-08 0.100000E-04    0.887281E+00
  40   -0.134095E-05    0.240768E+03  0.556947E-08 0.100000E-04    0.988667E+00
  41   -0.102761E-05    0.234001E+03  0.439147E-08 0.100000E-04    0.986643E+00
  42   -0.182880E-05    0.227515E+03  0.803816E-08 0.100000E-04    0.953015E+00
  43   -0.367248E-07    0.217123E+03  0.169143E-09 0.100000E-04    0.760694E+00
  44   -0.211151E-05    0.214890E+03  0.982601E-08 0.100000E-04    0.969937E+00
  45    0.709138E-06    0.213265E+03 -0.332516E-08 0.100000E-04    0.996289E+00
  46    0.112883E-05    0.207669E+03 -0.543572E-08 0.100000E-04    0.993788E+00
  47   -0.805014E-06    0.203005E+03  0.396549E-08 0.100000E-04    0.976025E+00
  48   -0.131197E-05    0.195445E+03  0.671274E-08 0.100000E-04    0.911514E+00
  49    0.101562E-05    0.194836E+03 -0.521266E-08 0.100000E-04    0.957580E+00
  50    0.148407E-05    0.191356E+03 -0.775554E-08 0.100000E-04    0.884794E+00
  51    0.256231E-06    0.182949E+03 -0.140056E-08 0.100000E-04    0.851451E+00
  52    0.647780E-06    0.174347E+03 -0.371546E-08 0.100000E-04    0.910743E+00
  53    0.748947E-07    0.172334E+03 -0.434592E-09 0.100000E-04    0.769872E+00
  54   -0.217298E-06    0.168212E+03  0.129181E-08 0.100000E-04    0.950833E+00
  55    0.878305E-06    0.163226E+03 -0.538090E-08 0.100000E-04    0.988566E+00
  56    0.143138E-05    0.156877E+03 -0.912419E-08 0.100000E-04    0.972424E+00
  57   -0.432632E-06    0.154904E+03  0.279290E-08 0.100000E-04    0.865906E+00
  58    0.935854E-06    0.152258E+03 -0.614651E-08 0.100000E-04    0.987581E+00
  59    0.673346E-06    0.146674E+03 -0.459077E-08 0.100000E-04    0.988112E+00
  60   -0.253494E-06    0.143353E+03  0.176832E-08 0.100000E-04    0.773670E+00
  61   -0.111723E-05    0.138086E+03  0.809084E-08 0.100000E-04    0.829772E+00
  62   -0.100316E-05    0.135873E+03  0.738308E-08 0.100000E-04    0.958906E+00
  63    0.224343E-05    0.130295E+03 -0.172181E-07 0.100000E-04    0.908360E+00
  64   -0.190311E-06    0.128837E+03  0.147715E-08 0.100000E-04    0.513666E+00
  65    0.148601E-05    0.126896E+03 -0.117105E-07 0.100000E-04    0.899540E+00
  66   -0.705825E-06    0.124090E+03  0.568801E-08 0.100000E-04    0.893677E+00
  67   -0.198305E-05    0.120009E+03  0.165242E-07 0.100000E-04    0.957434E+00
  68    0.487194E-06    0.118166E+03 -0.412298E-08 0.100000E-04    0.933233E+00
  69    0.949745E-07    0.116844E+03 -0.812833E-09 0.100000E-04    0.457572E+00
  70    0.145846E-05    0.110359E+03 -0.132155E-07 0.100000E-04    0.946180E+00
  71   -0.759630E-06    0.106829E+03  0.711074E-08 0.100000E-04    0.920075E+00
  72   -0.920940E-06    0.104450E+03  0.881703E-08 0.100000E-04    0.871092E+00
  73    0.209904E-06    0.102854E+03 -0.204079E-08 0.100000E-04    0.765682E+00
  74    0.274625E-07    0.995134E+02 -0.275968E-09 0.100000E-04    0.450154E+00
  75    0.778423E-07    0.960933E+02 -0.810070E-09 0.100000E-04    0.395464E+00
  76    0.256242E-06    0.941065E+02 -0.272289E-08 0.100000E-04    0.874359E+00
  77   -0.149065E-05    0.919744E+02  0.162072E-07 0.100000E-04    0.969657E+00
  78   -0.900662E-06    0.912282E+02  0.987263E-08 0.100000E-04    0.959400E+00
  79    0.731893E-06    0.884264E+02 -0.827685E-08 0.100000E-04    0.956050E+00
  80    0.543032E-06    0.856047E+02 -0.634349E-08 0.100000E-04    0.912686E+00
  81   -0.132723E-05    0.808337E+02  0.164193E-07 0.100000E-04    0.981742E+00
  82    0.136082E-05    0.804921E+02 -0.169063E-07 0.100000E-04    0.937060E+00
  83   -0.250751E-06    0.779599E+02  0.321641E-08 0.100000E-04    0.824311E+00
  84    0.586363E-06    0.732880E+02 -0.800081E-08 0.100000E-04    0.489523E+00
  85    0.230958E-05    0.725643E+02 -0.318281E-07 0.100000E-04    0.904948E+00
  86    0.693436E-06    0.679217E+02 -0.102093E-07 0.100000E-04    0.841594E+00
  87    0.108199E-05    0.647601E+02 -0.167076E-07 0.100000E-04    0.767412E+00
  88    0.127448E-05    0.613560E+02 -0.207719E-07 0.100000E-04    0.973632E+00
  89   -0.223952E-05    0.598401E+02  0.374251E-07 0.100000E-04    0.956923E+00
  90    0.227646E-05    0.593991E+02 -0.383248E-07 0.100000E-04    0.959017E+00
  91   -0.321980E-05    0.581369E+02  0.553831E-07 0.100000E-04    0.893080E+00
  92   -0.380854E-05    0.558775E+02  0.681587E-07 0.100000E-04    0.932280E+00
  93   -0.340704E-05    0.524473E+02  0.649613E-07 0.100000E-04    0.965241E+00
  94   -0.609363E-06    0.520350E+02  0.117106E-07 0.100000E-04    0.899421E+00
  95    0.218151E-05    0.502331E+02 -0.434279E-07 0.100000E-04    0.901886E+00
  96    0.132581E-05    0.461639E+02 -0.287197E-07 0.100000E-04    0.878139E+00
  97   -0.366615E-05    0.433330E+02  0.846040E-07 0.100000E-04    0.888896E+00
  98   -0.829178E-06    0.409149E+02  0.202659E-07 0.100000E-04    0.702768E+00
  99    0.237073E-05    0.378686E+02 -0.626041E-07 0.100000E-04    0.815704E+00
 100    0.177709E-05    0.362127E+02 -0.490737E-07 0.100000E-04    0.891076E+00
 101   -0.116600E-04    0.322735E+02  0.361288E-06 0.100000E-04    0.921708E+00
 102   -0.352738E-06    0.288973E+02  0.122066E-07 0.100000E-04    0.417594E+01
 103    0.272345E-05    0.284519E+02 -0.957212E-07 0.100000E-04    0.970095E+00
 104   -0.137334E-05    0.262954E+02  0.522275E-07 0.100000E-04    0.740785E+00
 105    0.660778E-05    0.233342E+02 -0.283180E-06 0.100000E-04    0.912538E+00
 106    0.574339E-05    0.213239E+02 -0.269341E-06 0.100000E-04    0.963639E+00
 107    0.226975E-04    0.198552E+02 -0.114315E-05 0.100000E-04    0.905402E+00
 108    0.254324E-04    0.164571E+02 -0.154537E-05 0.100000E-04    0.919690E+00
 109    0.613596E-05    0.139079E+02 -0.441185E-06 0.100000E-04    0.978087E+00
 110   -0.111468E-04    0.122431E+02  0.910459E-06 0.100000E-04    0.850974E+00
 111   -0.828575E-06    0.100912E+02  0.821085E-07 0.100000E-04    0.694145E+00
 112    0.332171E-01    0.904282E+01 -0.100000E-04 0.100000E-04    0.649687E+00
 113    0.940294E-01    0.574468E+01 -0.214127E-04 0.214127E-04    0.223146E+00
 114    0.913364E+00    0.317340E+01  0.100000E-04 0.100000E-04    0.853597E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2141266698E-04    0.2672601760    

 Beginning of optimization cycle  593.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995401313
 potential> RMS force:                                               0.0860542235   |gradient|=.9188076779    
 Eigenvalues of the Hessian matrix:
   746.62423    674.07368    630.64785    600.75395    586.37562    578.88602 
   564.96136    487.45844    460.62591    459.77956    441.67285    429.36606 
   421.91278    407.96573    396.34412    387.48665    370.02404    360.56590 
   349.35433    335.28930    329.29258    321.83344    319.11735    309.40848 
   300.82491    290.60022    278.97546    272.72973    268.53474    264.94949 
   263.82771    253.22389    241.56989    240.76875    234.00208    227.51515 
   217.12413    214.89026    213.26444    207.66963    203.00425    195.44372 
   194.83650    191.35622    182.94960    174.34775    172.33387    168.21203 
   163.22611    156.87706    154.90483    152.25767    146.67333    143.35281 
   138.08605    135.87319    130.29474    128.83704    126.89593    124.08872 
   120.00902    118.16582    116.84339    110.35974    106.82844    104.45037 
   102.85446     99.51335     96.09309     94.10632     91.97400     91.22843 
    88.42592     85.60498     80.83374     80.49281     77.95965     73.28779 
    72.56372     67.92141     64.75963     61.35556     59.83983     59.39923 
    58.13690     55.87730     52.44722     52.03458     50.23365     46.16348 
    43.33362     40.91499     37.86853     36.21234     32.27311     28.89765 
    28.45193     26.29564     23.33411     21.32411     19.85510     16.45699 
    13.90797     12.24311     10.09115      9.04434      5.74487      3.17311 
overlap for current and previous eigenvector    109 is         0.9999999888
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999734
overlap for current and previous eigenvector    112 is         0.9999999364
overlap for current and previous eigenvector    113 is         0.9999999294
overlap for current and previous eigenvector    114 is         0.9999999654
J1,K1,R1,R2,RAT=   7   7   -0.9642024882E-02     2.009631333        0.9903579751    
FOB,PFOB,DIAG,PSTEP=   -0.1730288940E-06   -0.1713764690E-06     746.6242328        0.2295363285E-09
J1,K1,R1,R2,RAT=   8   8    0.5250542625E-01     1.947498297        0.9474945737    
FOB,PFOB,DIAG,PSTEP=   -0.4141937214E-06   -0.4371462277E-06     674.0736805        0.6485128058E-09
J1,K1,R1,R2,RAT=   9   9    0.5698188896E-01     1.943008451        0.9430084513    
FOB,PFOB,DIAG,PSTEP=   -0.7407472941E-06   -0.7855071940E-06     630.6478507        0.1245561984E-08
J1,K1,R1,R2,RAT=  10  10    0.5405179183         1.459489920        0.4594820817    
FOB,PFOB,DIAG,PSTEP=   -0.2407885433E-07   -0.5240409643E-07     600.7539543        0.8723020577E-10
J1,K1,R1,R2,RAT=  11  11    0.1612526434         1.838749305        0.8387473566    
FOB,PFOB,DIAG,PSTEP=    0.2395819364E-07    0.2856424997E-07     586.3756156       -0.4871318209E-10
J1,K1,R1,R2,RAT= 109 109    0.5292302112E-01     1.947068543        0.9470685433    
FOB,PFOB,DIAG,PSTEP=    0.5811223894E-05    0.6135958738E-05     13.90796956       -0.4411847890E-06
J1,K1,R1,R2,RAT= 110 110    0.1533293807         1.846667840        0.8466678398    
FOB,PFOB,DIAG,PSTEP=   -0.9437692638E-05   -0.1114683184E-04     12.24310824        0.9104589381E-06
J1,K1,R1,R2,RAT= 111 111    0.6872715435         1.312743408        0.3127284565    
FOB,PFOB,DIAG,PSTEP=   -0.2591232198E-06   -0.8285749422E-06     10.09114988        0.8210845725E-07
J1,K1,R1,R2,RAT= 112 112    0.3906714432         734.1477526        0.6093285568    
FOB,PFOB,DIAG,PSTEP=    0.3318175815E-01    0.3321709182E-01     9.044344239       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8344781611         1529.606423        0.1655218389    
FOB,PFOB,DIAG,PSTEP=    0.9413206795E-01    0.9402941629E-01     5.744870840       -0.2141266698E-04
J1,K1,R1,R2,RAT= 114 114    0.2046536604        -57569.21594        0.7953463396    
FOB,PFOB,DIAG,PSTEP=    0.9133705011        0.9133640072         3.173109931        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03318      0.09413      0.91337 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3826723972
 Log product of positive Hessian eigenvalues =          519.0707733700
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1731099314
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=       -0.0000000034
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000062
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000067
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=       -0.0000000157
 Unscaled step for mode   64=        0.0000000006
 Unscaled step for mode   65=       -0.0000000103
 Unscaled step for mode   66=        0.0000000050
 Unscaled step for mode   67=        0.0000000158
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000003
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=        0.0000000102
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=       -0.0000000023
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=        0.0000000095
 Unscaled step for mode   79=       -0.0000000081
 Unscaled step for mode   80=       -0.0000000058
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=       -0.0000000157
 Unscaled step for mode   83=        0.0000000039
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=       -0.0000000282
 Unscaled step for mode   86=       -0.0000000086
 Unscaled step for mode   87=       -0.0000000134
 Unscaled step for mode   88=       -0.0000000214
 Unscaled step for mode   89=        0.0000000351
 Unscaled step for mode   90=       -0.0000000373
 Unscaled step for mode   91=        0.0000000508
 Unscaled step for mode   92=        0.0000000644
 Unscaled step for mode   93=        0.0000000637
 Unscaled step for mode   94=        0.0000000138
 Unscaled step for mode   95=       -0.0000000381
 Unscaled step for mode   96=       -0.0000000265
 Unscaled step for mode   97=        0.0000000744
 Unscaled step for mode   98=        0.0000000134
 Unscaled step for mode   99=       -0.0000000505
 Unscaled step for mode  100=       -0.0000000435
 Unscaled step for mode  101=        0.0000003386
 Unscaled step for mode  102=        0.0000000025
 Unscaled step for mode  103=       -0.0000000916
 Unscaled step for mode  104=        0.0000000637
 Unscaled step for mode  105=       -0.0000002620
 Unscaled step for mode  106=       -0.0000002578
 Unscaled step for mode  107=       -0.0000010495
 Unscaled step for mode  108=       -0.0000014339
 Unscaled step for mode  109=       -0.0000004178
 Unscaled step for mode  110=        0.0000007709
 Unscaled step for mode  111=        0.0000000257
 Unscaled step for mode  112=       -0.0036687360
 Unscaled step for mode  113=       -0.0163810138
 Unscaled step for mode  114=        0.2672832147
 Largest modulus ratio of non-zero e/values=           235.2973105    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.964289E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.136051E-14    0.100663E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.128370E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.331122E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.773354E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.366444E-14    0.974297E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173029E-06    0.746624E+03  0.231748E-09 0.100000E-04    0.990358E+00
   8   -0.414194E-06    0.674074E+03  0.614464E-09 0.100000E-04    0.947495E+00
   9   -0.740747E-06    0.630648E+03  0.117458E-08 0.100000E-04    0.943008E+00
  10   -0.240789E-07    0.600754E+03  0.400811E-10 0.100000E-04    0.459482E+00
  11    0.239582E-07    0.586376E+03 -0.408581E-10 0.100000E-04    0.838747E+00
  12   -0.105483E-05    0.578886E+03  0.182218E-08 0.100000E-04    0.939959E+00
  13    0.528923E-07    0.564961E+03 -0.936211E-10 0.100000E-04    0.929262E+00
  14    0.441435E-06    0.487458E+03 -0.905585E-09 0.100000E-04    0.931023E+00
  15   -0.440607E-06    0.460626E+03  0.956540E-09 0.100000E-04    0.936509E+00
  16   -0.119940E-06    0.459780E+03  0.260864E-09 0.100000E-04    0.808978E+00
  17   -0.578837E-06    0.441673E+03  0.131056E-08 0.100000E-04    0.904058E+00
  18   -0.428327E-06    0.429366E+03  0.997580E-09 0.100000E-04    0.928928E+00
  19   -0.153253E-06    0.421913E+03  0.363233E-09 0.100000E-04    0.652602E+00
  20   -0.387334E-06    0.407966E+03  0.949428E-09 0.100000E-04    0.920169E+00
  21   -0.434311E-06    0.396344E+03  0.109579E-08 0.100000E-04    0.916577E+00
  22   -0.663536E-06    0.387487E+03  0.171241E-08 0.100000E-04    0.987694E+00
  23    0.825573E-06    0.370024E+03 -0.223113E-08 0.100000E-04    0.920494E+00
  24   -0.447097E-06    0.360566E+03  0.123999E-08 0.100000E-04    0.972298E+00
  25   -0.852297E-07    0.349354E+03  0.243963E-09 0.109000E-04    0.545186E-01
  26   -0.766186E-07    0.335289E+03  0.228515E-09 0.100000E-04    0.196558E+01
  27    0.367083E-06    0.329293E+03 -0.111476E-08 0.100000E-04    0.888091E+00
  28   -0.390407E-06    0.321833E+03  0.121307E-08 0.100000E-04    0.895040E+00
  29   -0.645405E-07    0.319117E+03  0.202247E-09 0.100000E-04    0.466789E+00
  30   -0.140502E-05    0.309408E+03  0.454099E-08 0.100000E-04    0.960346E+00
  31   -0.105512E-05    0.300825E+03  0.350744E-08 0.100000E-04    0.953249E+00
  32   -0.126883E-05    0.290600E+03  0.436625E-08 0.100000E-04    0.966668E+00
  33   -0.943708E-08    0.278975E+03  0.338276E-10 0.109000E-04    0.158514E+00
  34   -0.613601E-07    0.272730E+03  0.224985E-09 0.100000E-04    0.425701E+01
  35    0.107168E-05    0.268535E+03 -0.399084E-08 0.100000E-04    0.966095E+00
  36    0.129991E-05    0.264949E+03 -0.490626E-08 0.100000E-04    0.980521E+00
  37   -0.491125E-06    0.263828E+03  0.186154E-08 0.100000E-04    0.893708E+00
  38   -0.152896E-06    0.253224E+03  0.603797E-09 0.100000E-04    0.988502E+00
  39   -0.363418E-06    0.241570E+03  0.150440E-08 0.100000E-04    0.865080E+00
  40   -0.131925E-05    0.240769E+03  0.547932E-08 0.100000E-04    0.983812E+00
  41   -0.103271E-05    0.234002E+03  0.441325E-08 0.100000E-04    0.995038E+00
  42   -0.175880E-05    0.227515E+03  0.773046E-08 0.100000E-04    0.961718E+00
  43   -0.322480E-07    0.217124E+03  0.148523E-09 0.100000E-04    0.878091E+00
  44   -0.203723E-05    0.214890E+03  0.948034E-08 0.100000E-04    0.964820E+00
  45    0.719562E-06    0.213264E+03 -0.337404E-08 0.100000E-04    0.985300E+00
  46    0.110674E-05    0.207670E+03 -0.532932E-08 0.100000E-04    0.980424E+00
  47   -0.775360E-06    0.203004E+03  0.381943E-08 0.100000E-04    0.963164E+00
  48   -0.121361E-05    0.195444E+03  0.620951E-08 0.100000E-04    0.925029E+00
  49    0.961999E-06    0.194837E+03 -0.493747E-08 0.100000E-04    0.947205E+00
  50    0.130527E-05    0.191356E+03 -0.682116E-08 0.100000E-04    0.879519E+00
  51    0.221607E-06    0.182950E+03 -0.121130E-08 0.100000E-04    0.864864E+00
  52    0.599289E-06    0.174348E+03 -0.343732E-08 0.100000E-04    0.925134E+00
  53    0.102643E-06    0.172334E+03 -0.595606E-09 0.100000E-04    0.629502E+00
  54   -0.232767E-06    0.168212E+03  0.138377E-08 0.100000E-04    0.928809E+00
  55    0.881588E-06    0.163226E+03 -0.540102E-08 0.100000E-04    0.996262E+00
  56    0.138500E-05    0.156877E+03 -0.882856E-08 0.100000E-04    0.967597E+00
  57   -0.358999E-06    0.154905E+03  0.231755E-08 0.100000E-04    0.829797E+00
  58    0.937240E-06    0.152258E+03 -0.615561E-08 0.100000E-04    0.998519E+00
  59    0.669262E-06    0.146673E+03 -0.456294E-08 0.100000E-04    0.993934E+00
  60   -0.187924E-06    0.143353E+03  0.131092E-08 0.100000E-04    0.741333E+00
  61   -0.920214E-06    0.138086E+03  0.666406E-08 0.100000E-04    0.823651E+00
  62   -0.967918E-06    0.135873E+03  0.712369E-08 0.100000E-04    0.964867E+00
  63    0.205177E-05    0.130295E+03 -0.157471E-07 0.100000E-04    0.914567E+00
  64   -0.784601E-07    0.128837E+03  0.608987E-09 0.100000E-04    0.412271E+00
  65    0.130986E-05    0.126896E+03 -0.103223E-07 0.100000E-04    0.881457E+00
  66   -0.622494E-06    0.124089E+03  0.501653E-08 0.100000E-04    0.881938E+00
  67   -0.189694E-05    0.120009E+03  0.158066E-07 0.100000E-04    0.956572E+00
  68    0.451647E-06    0.118166E+03 -0.382215E-08 0.100000E-04    0.927035E+00
  69    0.304387E-07    0.116843E+03 -0.260508E-09 0.100000E-04    0.320491E+00
  70    0.137108E-05    0.110360E+03 -0.124237E-07 0.100000E-04    0.940087E+00
  71   -0.695062E-06    0.106828E+03  0.650634E-08 0.100000E-04    0.915001E+00
  72   -0.106886E-05    0.104450E+03  0.102332E-07 0.100000E-04    0.839382E+00
  73    0.160223E-06    0.102854E+03 -0.155776E-08 0.100000E-04    0.763314E+00
  74    0.773732E-07    0.995133E+02 -0.777515E-09 0.100000E-04    0.817410E+00
  75    0.224973E-06    0.960931E+02 -0.234120E-08 0.100000E-04    0.890114E+00
  76    0.220976E-06    0.941063E+02 -0.234815E-08 0.100000E-04    0.862371E+00
  77   -0.155986E-05    0.919740E+02  0.169598E-07 0.100000E-04    0.953566E+00
  78   -0.868657E-06    0.912284E+02  0.952178E-08 0.100000E-04    0.964460E+00
  79    0.719046E-06    0.884259E+02 -0.813162E-08 0.100000E-04    0.982448E+00
  80    0.494725E-06    0.856050E+02 -0.577916E-08 0.100000E-04    0.911035E+00
  81   -0.131383E-05    0.808337E+02  0.162535E-07 0.100000E-04    0.989902E+00
  82    0.126655E-05    0.804928E+02 -0.157350E-07 0.100000E-04    0.930710E+00
  83   -0.305038E-06    0.779596E+02  0.391276E-08 0.100000E-04    0.783502E+00
  84    0.351502E-06    0.732878E+02 -0.479619E-08 0.100000E-04    0.599460E+00
  85    0.204542E-05    0.725637E+02 -0.281880E-07 0.100000E-04    0.885624E+00
  86    0.584243E-06    0.679214E+02 -0.860175E-08 0.100000E-04    0.842532E+00
  87    0.868477E-06    0.647596E+02 -0.134108E-07 0.100000E-04    0.802666E+00
  88    0.131104E-05    0.613556E+02 -0.213679E-07 0.100000E-04    0.971315E+00
  89   -0.210121E-05    0.598398E+02  0.351139E-07 0.100000E-04    0.938241E+00
  90    0.221312E-05    0.593992E+02 -0.372584E-07 0.100000E-04    0.972171E+00
  91   -0.295528E-05    0.581369E+02  0.508332E-07 0.100000E-04    0.917846E+00
  92   -0.360037E-05    0.558773E+02  0.644335E-07 0.100000E-04    0.945341E+00
  93   -0.334017E-05    0.524472E+02  0.636862E-07 0.100000E-04    0.980370E+00
  94   -0.716900E-06    0.520346E+02  0.137774E-07 0.100000E-04    0.823525E+00
  95    0.191519E-05    0.502336E+02 -0.381256E-07 0.100000E-04    0.877894E+00
  96    0.122156E-05    0.461635E+02 -0.264616E-07 0.100000E-04    0.921366E+00
  97   -0.322577E-05    0.433336E+02  0.744403E-07 0.100000E-04    0.879854E+00
  98   -0.548853E-06    0.409150E+02  0.134145E-07 0.100000E-04    0.661920E+00
  99    0.191374E-05    0.378685E+02 -0.505364E-07 0.100000E-04    0.807238E+00
 100    0.157460E-05    0.362123E+02 -0.434825E-07 0.100000E-04    0.886055E+00
 101   -0.109267E-04    0.322731E+02  0.338570E-06 0.100000E-04    0.937108E+00
 102   -0.728846E-07    0.288976E+02  0.252216E-08 0.100000E-04    0.206611E+00
 103    0.260518E-05    0.284519E+02 -0.915643E-07 0.100000E-04    0.956570E+00
 104   -0.167396E-05    0.262956E+02  0.636592E-07 0.100000E-04    0.781106E+00
 105    0.611399E-05    0.233341E+02 -0.262020E-06 0.100000E-04    0.925272E+00
 106    0.549696E-05    0.213241E+02 -0.257781E-06 0.100000E-04    0.957070E+00
 107    0.208382E-04    0.198551E+02 -0.104951E-05 0.100000E-04    0.918084E+00
 108    0.235983E-04    0.164570E+02 -0.143394E-05 0.100000E-04    0.927884E+00
 109    0.581122E-05    0.139080E+02 -0.417834E-06 0.100000E-04    0.947069E+00
 110   -0.943769E-05    0.122431E+02  0.770858E-06 0.100000E-04    0.846668E+00
 111   -0.259123E-06    0.100911E+02  0.256783E-07 0.100000E-04    0.312728E+00
 112    0.331818E-01    0.904434E+01 -0.100000E-04 0.100000E-04    0.609329E+00
 113    0.941321E-01    0.574487E+01 -0.233398E-04 0.233398E-04    0.165522E+00
 114    0.913371E+00    0.317311E+01  0.100000E-04 0.100000E-04    0.795346E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2333980700E-04    0.2672832147    

 Beginning of optimization cycle  594.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995335243
 potential> RMS force:                                               0.0860555854   |gradient|=.9188222196    
 Eigenvalues of the Hessian matrix:
   746.62832    674.07221    630.65100    600.75162    586.37497    578.88631 
   564.95709    487.45801    460.62452    459.77898    441.67218    429.36750 
   421.91214    407.96399    396.34352    387.48516    370.02453    360.56610 
   349.35361    335.28999    329.29351    321.83316    319.11813    309.40727 
   300.82434    290.60029    278.97705    272.73022    268.53502    264.94984 
   263.82841    253.22329    241.57023    240.76922    234.00294    227.51554 
   217.12492    214.89040    213.26413    207.67015    203.00381    195.44287 
   194.83693    191.35672    182.95039    174.34854    172.33412    168.21234 
   163.22576    156.87683    154.90538    152.25747    146.67268    143.35237 
   138.08661    135.87320    130.29444    128.83727    126.89612    124.08752 
   120.00921    118.16596    116.84292    110.36000    106.82825    104.45061 
   102.85453     99.51327     96.09287     94.10607     91.97358     91.22867 
    88.42538     85.60531     80.83382     80.49355     77.95941     73.28754 
    72.56309     67.92107     64.75913     61.35507     59.83959     59.39932 
    58.13683     55.87705     52.44710     52.03416     50.23427     46.16302 
    43.33422     40.91510     37.86846     36.21193     32.27271     28.89799 
    28.45199     26.29593     23.33402     21.32433     19.85501     16.45688 
    13.90803     12.24313     10.09108      9.04596      5.74508      3.17281 
overlap for current and previous eigenvector    109 is         0.9999999873
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999686
overlap for current and previous eigenvector    112 is         0.9999999276
overlap for current and previous eigenvector    113 is         0.9999999217
overlap for current and previous eigenvector    114 is         0.9999999612
J1,K1,R1,R2,RAT=   7   7    0.3911045144E-02     1.996078015        0.9960780146    
FOB,PFOB,DIAG,PSTEP=   -0.1723521665E-06   -0.1730288940E-06     746.6283170        0.2317482964E-09
J1,K1,R1,R2,RAT=   8   8   -0.4535541604E-01     2.045359775        0.9546445840    
FOB,PFOB,DIAG,PSTEP=   -0.4329796090E-06   -0.4141937214E-06     674.0722113        0.6144635718E-09
J1,K1,R1,R2,RAT=   9   9   -0.4829114786E-01     2.048281162        0.9517088521    
FOB,PFOB,DIAG,PSTEP=   -0.7765190098E-06   -0.7407472941E-06     630.6509996        0.1174581493E-08
J1,K1,R1,R2,RAT=  10  10   -0.9983433548         2.998351136        0.1656645226E-02
FOB,PFOB,DIAG,PSTEP=   -0.4811772502E-07   -0.2407885433E-07     600.7516169        0.4008105842E-10
J1,K1,R1,R2,RAT=  11  11   -0.1158511374         2.115853324        0.8841488626    
FOB,PFOB,DIAG,PSTEP=    0.2673377459E-07    0.2395819364E-07     586.3749744       -0.4085810017E-10
J1,K1,R1,R2,RAT= 109 109   -0.4447734843E-01     2.044468718        0.9555226516    
FOB,PFOB,DIAG,PSTEP=    0.6069692839E-05    0.5811223894E-05     13.90802958       -0.4178340963E-06
J1,K1,R1,R2,RAT= 110 110   -0.1498898268         2.149887049        0.8501101732    
FOB,PFOB,DIAG,PSTEP=   -0.1085230872E-04   -0.9437692638E-05     12.24312524        0.7708575677E-06
J1,K1,R1,R2,RAT= 111 111    -2.136583500         4.136598011         1.136583500    
FOB,PFOB,DIAG,PSTEP=   -0.8127575987E-06   -0.2591232198E-06     10.09107666        0.2567826491E-07
J1,K1,R1,R2,RAT= 112 112    0.3583450871         733.2677208        0.6416549129    
FOB,PFOB,DIAG,PSTEP=    0.3314934240E-01    0.3318175815E-01     9.045959431       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7838772987         1404.807649        0.2161227013    
FOB,PFOB,DIAG,PSTEP=    0.9423717727E-01    0.9413206795E-01     5.745077266       -0.2333980700E-04
J1,K1,R1,R2,RAT= 114 114    0.1565376116        -57575.08298        0.8434623884    
FOB,PFOB,DIAG,PSTEP=    0.9133754677        0.9133705011         3.172806489        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000      0.00001      0.00001      0.00002      0.00003 
     0.00001     -0.00001     -0.00000      0.03315      0.09424      0.91338 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3826525288
 Log product of positive Hessian eigenvalues =          519.0708571753
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1728064891
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000080
 Unscaled step for mode   43=        0.0000000002
 Unscaled step for mode   44=        0.0000000098
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000076
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=       -0.0000000037
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=       -0.0000000046
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=        0.0000000079
 Unscaled step for mode   62=        0.0000000073
 Unscaled step for mode   63=       -0.0000000170
 Unscaled step for mode   64=        0.0000000013
 Unscaled step for mode   65=       -0.0000000115
 Unscaled step for mode   66=        0.0000000056
 Unscaled step for mode   67=        0.0000000164
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000131
 Unscaled step for mode   71=        0.0000000070
 Unscaled step for mode   72=        0.0000000090
 Unscaled step for mode   73=       -0.0000000020
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000011
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=       -0.0000000098
 Unscaled step for mode   79=       -0.0000000082
 Unscaled step for mode   80=       -0.0000000063
 Unscaled step for mode   81=        0.0000000164
 Unscaled step for mode   82=       -0.0000000167
 Unscaled step for mode   83=        0.0000000033
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=       -0.0000000312
 Unscaled step for mode   86=       -0.0000000099
 Unscaled step for mode   87=       -0.0000000162
 Unscaled step for mode   88=       -0.0000000208
 Unscaled step for mode   89=        0.0000000370
 Unscaled step for mode   90=       -0.0000000380
 Unscaled step for mode   91=        0.0000000544
 Unscaled step for mode   92=        0.0000000674
 Unscaled step for mode   93=        0.0000000646
 Unscaled step for mode   94=        0.0000000119
 Unscaled step for mode   95=       -0.0000000427
 Unscaled step for mode   96=       -0.0000000283
 Unscaled step for mode   97=        0.0000000827
 Unscaled step for mode   98=        0.0000000191
 Unscaled step for mode   99=       -0.0000000608
 Unscaled step for mode  100=       -0.0000000481
 Unscaled step for mode  101=        0.0000003570
 Unscaled step for mode  102=        0.0000000105
 Unscaled step for mode  103=       -0.0000000950
 Unscaled step for mode  104=        0.0000000538
 Unscaled step for mode  105=       -0.0000002796
 Unscaled step for mode  106=       -0.0000002666
 Unscaled step for mode  107=       -0.0000011278
 Unscaled step for mode  108=       -0.0000015257
 Unscaled step for mode  109=       -0.0000004364
 Unscaled step for mode  110=        0.0000008864
 Unscaled step for mode  111=        0.0000000805
 Unscaled step for mode  112=       -0.0036644977
 Unscaled step for mode  113=       -0.0163987064
 Unscaled step for mode  114=        0.2673066276
 Largest modulus ratio of non-zero e/values=           235.3211012    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.115381E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.141613E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.375242E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.683047E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.121200E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.371887E-14    0.974297E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172352E-06    0.746628E+03  0.230841E-09 0.100000E-04    0.996078E+00
   8   -0.432980E-06    0.674072E+03  0.642334E-09 0.100000E-04    0.954645E+00
   9   -0.776519E-06    0.630651E+03  0.123130E-08 0.100000E-04    0.951709E+00
  10   -0.481177E-07    0.600752E+03  0.800959E-10 0.109000E-04    0.165665E-02
  11    0.267338E-07    0.586375E+03 -0.455916E-10 0.100000E-04    0.884149E+00
  12   -0.111008E-05    0.578886E+03  0.191761E-08 0.100000E-04    0.947631E+00
  13    0.496733E-07    0.564957E+03 -0.879240E-10 0.100000E-04    0.939140E+00
  14    0.469282E-06    0.487458E+03 -0.962712E-09 0.100000E-04    0.936918E+00
  15   -0.464741E-06    0.460625E+03  0.100894E-08 0.100000E-04    0.945224E+00
  16   -0.143372E-06    0.459779E+03  0.311828E-09 0.100000E-04    0.804632E+00
  17   -0.630142E-06    0.441672E+03  0.142672E-08 0.100000E-04    0.911365E+00
  18   -0.453829E-06    0.429367E+03  0.105697E-08 0.100000E-04    0.940461E+00
  19   -0.119513E-06    0.421912E+03  0.283266E-09 0.100000E-04    0.779844E+00
  20   -0.414733E-06    0.407964E+03  0.101659E-08 0.100000E-04    0.929263E+00
  21   -0.466348E-06    0.396344E+03  0.117662E-08 0.100000E-04    0.926236E+00
  22   -0.668525E-06    0.387485E+03  0.172529E-08 0.100000E-04    0.992481E+00
  23    0.883877E-06    0.370025E+03 -0.238870E-08 0.100000E-04    0.929378E+00
  24   -0.456216E-06    0.360566E+03  0.126528E-08 0.100000E-04    0.979604E+00
  25   -0.503892E-07    0.349354E+03  0.144235E-09 0.100000E-04    0.591216E+00
  26   -0.274974E-07    0.335290E+03  0.820107E-10 0.100000E-04    0.358883E+00
  27    0.405377E-06    0.329294E+03 -0.123105E-08 0.100000E-04    0.895679E+00
  28   -0.427378E-06    0.321833E+03  0.132795E-08 0.100000E-04    0.905302E+00
  29   -0.124503E-06    0.319118E+03  0.390148E-09 0.109000E-04    0.709282E-01
  30   -0.145131E-05    0.309407E+03  0.469061E-08 0.100000E-04    0.967055E+00
  31   -0.109771E-05    0.300824E+03  0.364899E-08 0.100000E-04    0.959643E+00
  32   -0.130337E-05    0.290600E+03  0.448511E-08 0.100000E-04    0.972777E+00
  33   -0.517651E-07    0.278977E+03  0.185553E-09 0.100000E-04    0.348526E+01
  34   -0.181510E-07    0.272730E+03  0.665530E-10 0.100000E-04    0.295809E+00
  35    0.109969E-05    0.268535E+03 -0.409514E-08 0.100000E-04    0.973863E+00
  36    0.132028E-05    0.264950E+03 -0.498312E-08 0.100000E-04    0.984332E+00
  37   -0.540014E-06    0.263828E+03  0.204684E-08 0.100000E-04    0.900457E+00
  38   -0.150349E-06    0.253223E+03  0.593739E-09 0.100000E-04    0.983340E+00
  39   -0.328959E-06    0.241570E+03  0.136175E-08 0.100000E-04    0.905179E+00
  40   -0.133557E-05    0.240769E+03  0.554710E-08 0.100000E-04    0.987629E+00
  41   -0.102721E-05    0.234003E+03  0.438973E-08 0.100000E-04    0.994665E+00
  42   -0.181291E-05    0.227516E+03  0.796830E-08 0.100000E-04    0.969232E+00
  43   -0.338181E-07    0.217125E+03  0.155754E-09 0.100000E-04    0.951310E+00
  44   -0.209601E-05    0.214890E+03  0.975387E-08 0.100000E-04    0.971147E+00
  45    0.708315E-06    0.213264E+03 -0.332130E-08 0.100000E-04    0.984369E+00
  46    0.112509E-05    0.207670E+03 -0.541770E-08 0.100000E-04    0.983414E+00
  47   -0.800104E-06    0.203004E+03  0.394132E-08 0.100000E-04    0.968087E+00
  48   -0.129214E-05    0.195443E+03  0.661134E-08 0.100000E-04    0.935293E+00
  49    0.100765E-05    0.194837E+03 -0.517178E-08 0.100000E-04    0.952542E+00
  50    0.145289E-05    0.191357E+03 -0.759258E-08 0.100000E-04    0.886906E+00
  51    0.250349E-06    0.182950E+03 -0.136840E-08 0.100000E-04    0.870302E+00
  52    0.637835E-06    0.174349E+03 -0.365839E-08 0.100000E-04    0.935681E+00
  53    0.814300E-07    0.172334E+03 -0.472512E-09 0.100000E-04    0.793328E+00
  54   -0.220187E-06    0.168212E+03  0.130898E-08 0.100000E-04    0.945949E+00
  55    0.876544E-06    0.163226E+03 -0.537013E-08 0.100000E-04    0.994279E+00
  56    0.142046E-05    0.156877E+03 -0.905459E-08 0.100000E-04    0.974399E+00
  57   -0.420123E-06    0.154905E+03  0.271213E-08 0.100000E-04    0.829739E+00
  58    0.935779E-06    0.152257E+03 -0.614603E-08 0.100000E-04    0.998442E+00
  59    0.669992E-06    0.146673E+03 -0.456794E-08 0.100000E-04    0.998909E+00
  60   -0.241383E-06    0.143352E+03  0.168384E-08 0.100000E-04    0.715530E+00
  61   -0.108451E-05    0.138087E+03  0.785384E-08 0.100000E-04    0.821458E+00
  62   -0.992616E-06    0.135873E+03  0.730546E-08 0.100000E-04    0.974484E+00
  63    0.221059E-05    0.130294E+03 -0.169661E-07 0.100000E-04    0.922593E+00
  64   -0.171734E-06    0.128837E+03  0.133295E-08 0.109000E-04    0.188808E+00
  65    0.145566E-05    0.126896E+03 -0.114713E-07 0.100000E-04    0.888684E+00
  66   -0.694445E-06    0.124088E+03  0.559641E-08 0.100000E-04    0.884415E+00
  67   -0.196606E-05    0.120009E+03  0.163826E-07 0.100000E-04    0.963559E+00
  68    0.481388E-06    0.118166E+03 -0.407383E-08 0.100000E-04    0.934152E+00
  69    0.858122E-07    0.116843E+03 -0.734424E-09 0.100000E-04    0.819190E+00
  70    0.144201E-05    0.110360E+03 -0.130664E-07 0.100000E-04    0.948271E+00
  71   -0.748567E-06    0.106828E+03  0.700720E-08 0.100000E-04    0.923021E+00
  72   -0.942224E-06    0.104451E+03  0.902077E-08 0.100000E-04    0.881518E+00
  73    0.201177E-06    0.102855E+03 -0.195594E-08 0.100000E-04    0.744391E+00
  74    0.360062E-07    0.995133E+02 -0.361823E-09 0.100000E-04    0.465358E+00
  75    0.101045E-06    0.960929E+02 -0.105154E-08 0.100000E-04    0.449143E+00
  76    0.249329E-06    0.941061E+02 -0.264945E-08 0.100000E-04    0.871692E+00
  77   -0.150386E-05    0.919736E+02  0.163510E-07 0.100000E-04    0.964094E+00
  78    0.890848E-06    0.912287E+02 -0.976500E-08 0.100000E-04    0.974454E+00
  79    0.727650E-06    0.884254E+02 -0.822898E-08 0.100000E-04    0.988034E+00
  80    0.536439E-06    0.856053E+02 -0.626642E-08 0.100000E-04    0.915683E+00
  81   -0.132260E-05    0.808338E+02  0.163619E-07 0.100000E-04    0.993329E+00
  82    0.134527E-05    0.804935E+02 -0.167128E-07 0.100000E-04    0.937846E+00
  83   -0.256736E-06    0.779594E+02  0.329320E-08 0.100000E-04    0.841653E+00
  84    0.545925E-06    0.732875E+02 -0.744908E-08 0.100000E-04    0.446878E+00
  85    0.226739E-05    0.725631E+02 -0.312471E-07 0.100000E-04    0.891480E+00
  86    0.670562E-06    0.679211E+02 -0.987267E-08 0.100000E-04    0.852254E+00
  87    0.104808E-05    0.647591E+02 -0.161843E-07 0.100000E-04    0.793198E+00
  88    0.127499E-05    0.613551E+02 -0.207805E-07 0.100000E-04    0.972504E+00
  89   -0.221434E-05    0.598396E+02  0.370047E-07 0.100000E-04    0.946158E+00
  90    0.225796E-05    0.593993E+02 -0.380132E-07 0.100000E-04    0.979739E+00
  91   -0.316391E-05    0.581368E+02  0.544218E-07 0.100000E-04    0.929404E+00
  92   -0.376858E-05    0.558771E+02  0.674441E-07 0.100000E-04    0.953281E+00
  93   -0.338916E-05    0.524471E+02  0.646205E-07 0.100000E-04    0.985332E+00
  94   -0.621222E-06    0.520342E+02  0.119387E-07 0.100000E-04    0.866539E+00
  95    0.214328E-05    0.502343E+02 -0.426656E-07 0.100000E-04    0.880906E+00
  96    0.130720E-05    0.461630E+02 -0.283170E-07 0.100000E-04    0.929896E+00
  97   -0.358199E-05    0.433342E+02  0.826596E-07 0.100000E-04    0.889571E+00
  98   -0.782705E-06    0.409151E+02  0.191300E-07 0.100000E-04    0.573927E+00
  99    0.230312E-05    0.378685E+02 -0.608189E-07 0.100000E-04    0.796536E+00
 100    0.174289E-05    0.362119E+02 -0.481303E-07 0.100000E-04    0.893122E+00
 101   -0.115217E-04    0.322727E+02  0.357010E-06 0.100000E-04    0.945547E+00
 102   -0.304514E-06    0.288980E+02  0.105376E-07 0.100000E-04    0.217799E+01
 103    0.270355E-05    0.284520E+02 -0.950216E-07 0.100000E-04    0.962239E+00
 104   -0.141546E-05    0.262959E+02  0.538281E-07 0.100000E-04    0.845555E+00
 105    0.652458E-05    0.233340E+02 -0.279617E-06 0.100000E-04    0.932845E+00
 106    0.568470E-05    0.213243E+02 -0.266583E-06 0.100000E-04    0.965846E+00
 107    0.223934E-04    0.198550E+02 -0.112784E-05 0.100000E-04    0.925370E+00
 108    0.251076E-04    0.164569E+02 -0.152566E-05 0.100000E-04    0.936041E+00
 109    0.606969E-05    0.139080E+02 -0.436416E-06 0.100000E-04    0.955523E+00
 110   -0.108523E-04    0.122431E+02  0.886400E-06 0.100000E-04    0.850110E+00
 111   -0.812758E-06    0.100911E+02  0.805422E-07 0.100000E-04    0.113658E+01
 112    0.331493E-01    0.904596E+01 -0.100000E-04 0.100000E-04    0.641655E+00
 113    0.942372E-01    0.574508E+01 -0.210269E-04 0.210269E-04    0.216123E+00
 114    0.913375E+00    0.317281E+01  0.100000E-04 0.100000E-04    0.843462E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2102685316E-04    0.2673066276    

 Beginning of optimization cycle  595.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995267017
 potential> RMS force:                                               0.0860570735   |gradient|=.9188381074    
 Eigenvalues of the Hessian matrix:
   746.63227    674.07098    630.65401    600.74927    586.37442    578.88657 
   564.95312    487.45770    460.62320    459.77842    441.67158    429.36875 
   421.91154    407.96236    396.34297    387.48372    370.02499    360.56625 
   349.35284    335.29063    329.29439    321.83294    319.11874    309.40611 
   300.82371    290.60034    278.97850    272.73067    268.53522    264.95017 
   263.82901    253.22266    241.57047    240.76966    234.00370    227.51584 
   217.12560    214.89054    213.26383    207.67064    203.00338    195.44205 
   194.83728    191.35719    182.95111    174.34927    172.33435    168.21261 
   163.22543    156.87660    154.90589    152.25730    146.67207    143.35198 
   138.08713    135.87320    130.29419    128.83748    126.89633    124.08641 
   120.00939    118.16610    116.84251    110.36024    106.82808    104.45085 
   102.85460     99.51320     96.09267     94.10586     91.97316     91.22888 
    88.42486     85.60561     80.83389     80.49422     77.95919     73.28735 
    72.56253     67.92079     64.75867     61.35459     59.83936     59.39943 
    58.13679     55.87684     52.44700     52.03379     50.23486     46.16261 
    43.33478     40.91521     37.86843     36.21161     32.27234     28.89832 
    28.45205     26.29620     23.33391     21.32458     19.85491     16.45679 
    13.90809     12.24314     10.09100      9.04747      5.74526      3.17251 
overlap for current and previous eigenvector    109 is         0.9999999891
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999739
overlap for current and previous eigenvector    112 is        -0.9999999377
overlap for current and previous eigenvector    113 is         0.9999999313
overlap for current and previous eigenvector    114 is         0.9999999665
J1,K1,R1,R2,RAT=   7   7   -0.1089306463E-01     2.010882473        0.9891069354    
FOB,PFOB,DIAG,PSTEP=   -0.1742296197E-06   -0.1723521665E-06     746.6322711        0.2308406507E-09
J1,K1,R1,R2,RAT=   8   8    0.5198572960E-01     1.948017911        0.9480142704    
FOB,PFOB,DIAG,PSTEP=   -0.4104708891E-06   -0.4329796090E-06     674.0709841        0.6423341621E-09
J1,K1,R1,R2,RAT=   9   9    0.5601503573E-01     1.943975402        0.9439754024    
FOB,PFOB,DIAG,PSTEP=   -0.7330220618E-06   -0.7765190098E-06     630.6540147        0.1231297517E-08
J1,K1,R1,R2,RAT=  10  10    0.5776121745         1.422395641        0.4223878255    
FOB,PFOB,DIAG,PSTEP=   -0.2032444985E-07   -0.4811772502E-07     600.7492693        0.8009587268E-10
J1,K1,R1,R2,RAT=  11  11    0.1674553828         1.832546516        0.8325446172    
FOB,PFOB,DIAG,PSTEP=    0.2225706438E-07    0.2673377459E-07     586.3744178       -0.4559160223E-10
J1,K1,R1,R2,RAT= 109 109    0.4887399580E-01     1.951117556        0.9511175558    
FOB,PFOB,DIAG,PSTEP=    0.5773041444E-05    0.6069692839E-05     13.90808833       -0.4364164459E-06
J1,K1,R1,R2,RAT= 110 110     1.845151154        0.1548459464        0.8451511542    
FOB,PFOB,DIAG,PSTEP=    0.9171870267E-05   -0.1085230872E-04     12.24314299        0.8864002045E-06
J1,K1,R1,R2,RAT= 111 111     1.340097704        0.6599171325        0.3400828675    
FOB,PFOB,DIAG,PSTEP=    0.2764089136E-06   -0.8127575987E-06     10.09100180        0.8054220833E-07
J1,K1,R1,R2,RAT= 112 112     732.3893518        0.3976760622        0.6023239378    
FOB,PFOB,DIAG,PSTEP=   -0.3311336277E-01    0.3314934240E-01     9.047469766       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8396068244         1560.996226        0.1603931756    
FOB,PFOB,DIAG,PSTEP=    0.9433860578E-01    0.9423717727E-01     5.745261293       -0.2102685316E-04
J1,K1,R1,R2,RAT= 114 114    0.2148908878        -57580.74888        0.7851091122    
FOB,PFOB,DIAG,PSTEP=    0.9133822852        0.9133754677         3.172514753        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001      0.00002      0.00002 
     0.00001      0.00001      0.00000     -0.03311      0.09434      0.91338 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3826309623
 Log product of positive Hessian eigenvalues =          519.0709344005
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1725147525
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=        0.0000000088
 Unscaled step for mode   57=       -0.0000000023
 Unscaled step for mode   58=        0.0000000061
 Unscaled step for mode   59=       -0.0000000045
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000064
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=       -0.0000000155
 Unscaled step for mode   64=        0.0000000005
 Unscaled step for mode   65=       -0.0000000101
 Unscaled step for mode   66=        0.0000000049
 Unscaled step for mode   67=        0.0000000157
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=        0.0000000105
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=       -0.0000000025
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=       -0.0000000094
 Unscaled step for mode   79=       -0.0000000081
 Unscaled step for mode   80=       -0.0000000057
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=       -0.0000000155
 Unscaled step for mode   83=        0.0000000040
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000277
 Unscaled step for mode   86=       -0.0000000083
 Unscaled step for mode   87=       -0.0000000128
 Unscaled step for mode   88=       -0.0000000213
 Unscaled step for mode   89=        0.0000000348
 Unscaled step for mode   90=       -0.0000000370
 Unscaled step for mode   91=        0.0000000497
 Unscaled step for mode   92=        0.0000000637
 Unscaled step for mode   93=        0.0000000633
 Unscaled step for mode   94=        0.0000000140
 Unscaled step for mode   95=       -0.0000000375
 Unscaled step for mode   96=       -0.0000000258
 Unscaled step for mode   97=        0.0000000727
 Unscaled step for mode   98=        0.0000000126
 Unscaled step for mode   99=        0.0000000488
 Unscaled step for mode  100=        0.0000000426
 Unscaled step for mode  101=        0.0000003336
 Unscaled step for mode  102=       -0.0000000007
 Unscaled step for mode  103=       -0.0000000909
 Unscaled step for mode  104=       -0.0000000664
 Unscaled step for mode  105=       -0.0000002579
 Unscaled step for mode  106=        0.0000002554
 Unscaled step for mode  107=       -0.0000010316
 Unscaled step for mode  108=       -0.0000014126
 Unscaled step for mode  109=       -0.0000004151
 Unscaled step for mode  110=       -0.0000007491
 Unscaled step for mode  111=       -0.0000000274
 Unscaled step for mode  112=        0.0036599094
 Unscaled step for mode  113=       -0.0164158214
 Unscaled step for mode  114=        0.2673296588
 Largest modulus ratio of non-zero e/values=           235.3439871    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.112215E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.108968E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.300158E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.377519E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.346728E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.218537E-14    0.974297E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174230E-06    0.746632E+03  0.233354E-09 0.100000E-04    0.989107E+00
   8   -0.410471E-06    0.674071E+03  0.608943E-09 0.100000E-04    0.948014E+00
   9   -0.733022E-06    0.630654E+03  0.116232E-08 0.100000E-04    0.943975E+00
  10   -0.203244E-07    0.600749E+03  0.338318E-10 0.100000E-04    0.422388E+00
  11    0.222571E-07    0.586374E+03 -0.379571E-10 0.100000E-04    0.832545E+00
  12   -0.104421E-05    0.578887E+03  0.180382E-08 0.100000E-04    0.940662E+00
  13    0.531975E-07    0.564953E+03 -0.941626E-10 0.100000E-04    0.929052E+00
  14    0.437076E-06    0.487458E+03 -0.896643E-09 0.100000E-04    0.931372E+00
  15   -0.435477E-06    0.460623E+03  0.945408E-09 0.100000E-04    0.937030E+00
  16   -0.115494E-06    0.459778E+03  0.251195E-09 0.100000E-04    0.805554E+00
  17   -0.570018E-06    0.441672E+03  0.129059E-08 0.100000E-04    0.904587E+00
  18   -0.422477E-06    0.429369E+03  0.983949E-09 0.100000E-04    0.930910E+00
  19   -0.158975E-06    0.421912E+03  0.376796E-09 0.100000E-04    0.669816E+00
  20   -0.381862E-06    0.407962E+03  0.936023E-09 0.100000E-04    0.920742E+00
  21   -0.428030E-06    0.396343E+03  0.107995E-08 0.100000E-04    0.917835E+00
  22   -0.660612E-06    0.387484E+03  0.170488E-08 0.100000E-04    0.988163E+00
  23    0.814499E-06    0.370025E+03 -0.220120E-08 0.100000E-04    0.921505E+00
  24   -0.444700E-06    0.360566E+03  0.123334E-08 0.100000E-04    0.974756E+00
  25   -0.907273E-07    0.349353E+03  0.259701E-09 0.109000E-04    0.199467E+00
  26   -0.869480E-07    0.335291E+03  0.259321E-09 0.100000E-04    0.116204E+01
  27    0.358769E-06    0.329294E+03 -0.108951E-08 0.100000E-04    0.885021E+00
  28   -0.381836E-06    0.321833E+03  0.118644E-08 0.100000E-04    0.893438E+00
  29   -0.493732E-07    0.319119E+03  0.154717E-09 0.100000E-04    0.396558E+00
  30   -0.138990E-05    0.309406E+03  0.449216E-08 0.100000E-04    0.957688E+00
  31   -0.104588E-05    0.300824E+03  0.347674E-08 0.100000E-04    0.952791E+00
  32   -0.125925E-05    0.290600E+03  0.433327E-08 0.100000E-04    0.966145E+00
  33   -0.978187E-09    0.278978E+03  0.350632E-11 0.109000E-04    0.188914E-01
  34   -0.709112E-07    0.272731E+03  0.260005E-09 0.100000E-04    0.190673E+01
  35    0.106243E-05    0.268535E+03 -0.395640E-08 0.100000E-04    0.966120E+00
  36    0.129390E-05    0.264950E+03 -0.488355E-08 0.100000E-04    0.980017E+00
  37   -0.482434E-06    0.263829E+03  0.182859E-08 0.100000E-04    0.893370E+00
  38   -0.152825E-06    0.253223E+03  0.603522E-09 0.100000E-04    0.983526E+00
  39   -0.372658E-06    0.241570E+03  0.154265E-08 0.100000E-04    0.867160E+00
  40   -0.131377E-05    0.240770E+03  0.545653E-08 0.100000E-04    0.983671E+00
  41   -0.103375E-05    0.234004E+03  0.441766E-08 0.100000E-04    0.993632E+00
  42   -0.174166E-05    0.227516E+03  0.765510E-08 0.100000E-04    0.960693E+00
  43   -0.299856E-07    0.217126E+03  0.138103E-09 0.100000E-04    0.886667E+00
  44   -0.202305E-05    0.214891E+03  0.941432E-08 0.100000E-04    0.965188E+00
  45    0.719139E-06    0.213264E+03 -0.337206E-08 0.100000E-04    0.984718E+00
  46    0.110429E-05    0.207671E+03 -0.531751E-08 0.100000E-04    0.981505E+00
  47   -0.770839E-06    0.203003E+03  0.379717E-08 0.100000E-04    0.963424E+00
  48   -0.119402E-05    0.195442E+03  0.610931E-08 0.100000E-04    0.924062E+00
  49    0.954231E-06    0.194837E+03 -0.489758E-08 0.100000E-04    0.946979E+00
  50    0.127487E-05    0.191357E+03 -0.666224E-08 0.100000E-04    0.877464E+00
  51    0.215488E-06    0.182951E+03 -0.117785E-08 0.100000E-04    0.860744E+00
  52   -0.589795E-06    0.174349E+03  0.338284E-08 0.100000E-04    0.924676E+00
  53    0.107915E-06    0.172334E+03 -0.626198E-09 0.100000E-04    0.674745E+00
  54   -0.234260E-06    0.168213E+03  0.139264E-08 0.100000E-04    0.936087E+00
  55    0.877629E-06    0.163225E+03 -0.537679E-08 0.100000E-04    0.998762E+00
  56   -0.137711E-05    0.156877E+03  0.877831E-08 0.100000E-04    0.969485E+00
  57    0.349632E-06    0.154906E+03 -0.225706E-08 0.100000E-04    0.832206E+00
  58   -0.934289E-06    0.152257E+03  0.613625E-08 0.100000E-04    0.998408E+00
  59    0.666340E-06    0.146672E+03 -0.454306E-08 0.100000E-04    0.994550E+00
  60   -0.179447E-06    0.143352E+03  0.125179E-08 0.100000E-04    0.743414E+00
  61   -0.889378E-06    0.138087E+03  0.644070E-08 0.100000E-04    0.820066E+00
  62   -0.960102E-06    0.135873E+03  0.706616E-08 0.100000E-04    0.967244E+00
  63    0.201793E-05    0.130294E+03 -0.154875E-07 0.100000E-04    0.912847E+00
  64   -0.593004E-07    0.128837E+03  0.460273E-09 0.100000E-04    0.345301E+00
  65    0.128366E-05    0.126896E+03 -0.101158E-07 0.100000E-04    0.881836E+00
  66   -0.611409E-06    0.124086E+03  0.492729E-08 0.100000E-04    0.880428E+00
  67   -0.188069E-05    0.120009E+03  0.156712E-07 0.100000E-04    0.956572E+00
  68    0.445782E-06    0.118166E+03 -0.377250E-08 0.100000E-04    0.926032E+00
  69    0.242408E-07    0.116843E+03 -0.207465E-09 0.100000E-04    0.282484E+00
  70    0.135597E-05    0.110360E+03 -0.122868E-07 0.100000E-04    0.940335E+00
  71   -0.685060E-06    0.106828E+03  0.641274E-08 0.100000E-04    0.915162E+00
  72   -0.109196E-05    0.104451E+03  0.104543E-07 0.100000E-04    0.841083E+00
  73    0.152282E-06    0.102855E+03 -0.148056E-08 0.100000E-04    0.756954E+00
  74    0.829940E-07    0.995132E+02 -0.834000E-09 0.100000E-04    0.304990E+00
  75    0.244556E-06    0.960927E+02 -0.254500E-08 0.100000E-04    0.420261E+00
  76    0.214040E-06    0.941059E+02 -0.227446E-08 0.100000E-04    0.858465E+00
  77   -0.156739E-05    0.919732E+02  0.170419E-07 0.100000E-04    0.957750E+00
  78    0.859718E-06    0.912289E+02 -0.942375E-08 0.100000E-04    0.965051E+00
  79    0.714147E-06    0.884249E+02 -0.807632E-08 0.100000E-04    0.981443E+00
  80    0.488503E-06    0.856056E+02 -0.570644E-08 0.100000E-04    0.910634E+00
  81   -0.130817E-05    0.808339E+02  0.161834E-07 0.100000E-04    0.989088E+00
  82    0.125030E-05    0.804942E+02 -0.155328E-07 0.100000E-04    0.929384E+00
  83   -0.312535E-06    0.779592E+02  0.400895E-08 0.100000E-04    0.782661E+00
  84    0.314831E-06    0.732873E+02 -0.429585E-08 0.100000E-04    0.576693E+00
  85    0.200906E-05    0.725625E+02 -0.276873E-07 0.100000E-04    0.886066E+00
  86    0.565145E-06    0.679208E+02 -0.832065E-08 0.100000E-04    0.842793E+00
  87    0.830012E-06    0.647587E+02 -0.128170E-07 0.100000E-04    0.791936E+00
  88    0.130943E-05    0.613546E+02 -0.213420E-07 0.100000E-04    0.972986E+00
  89   -0.208097E-05    0.598394E+02  0.347760E-07 0.100000E-04    0.939769E+00
  90    0.219827E-05    0.593994E+02 -0.370082E-07 0.100000E-04    0.973561E+00
  91   -0.289120E-05    0.581368E+02  0.497310E-07 0.100000E-04    0.913806E+00
  92   -0.355676E-05    0.558768E+02  0.636536E-07 0.100000E-04    0.943795E+00
  93   -0.331735E-05    0.524470E+02  0.632514E-07 0.100000E-04    0.978811E+00
  94   -0.726736E-06    0.520338E+02  0.139666E-07 0.100000E-04    0.830150E+00
  95    0.188137E-05    0.502349E+02 -0.374515E-07 0.100000E-04    0.877780E+00
  96    0.119252E-05    0.461626E+02 -0.258331E-07 0.100000E-04    0.912273E+00
  97   -0.315251E-05    0.433348E+02  0.727477E-07 0.100000E-04    0.880075E+00
  98   -0.514997E-06    0.409152E+02  0.125869E-07 0.100000E-04    0.657966E+00
  99   -0.184682E-05    0.378684E+02  0.487693E-07 0.100000E-04    0.801877E+00
 100   -0.154192E-05    0.362116E+02  0.425809E-07 0.100000E-04    0.884693E+00
 101   -0.107656E-04    0.322723E+02  0.333587E-06 0.100000E-04    0.934379E+00
 102    0.208362E-07    0.288983E+02 -0.721017E-09 0.109000E-04    0.684120E-01
 103    0.258707E-05    0.284520E+02 -0.909272E-07 0.100000E-04    0.956908E+00
 104    0.174484E-05    0.262962E+02 -0.663533E-07 0.100000E-04    0.767301E+00
 105    0.601894E-05    0.233339E+02 -0.257948E-06 0.100000E-04    0.922501E+00
 106   -0.544548E-05    0.213246E+02  0.255362E-06 0.100000E-04    0.957896E+00
 107    0.204825E-04    0.198549E+02 -0.103161E-05 0.100000E-04    0.914669E+00
 108    0.232462E-04    0.164568E+02 -0.141256E-05 0.100000E-04    0.925862E+00
 109    0.577304E-05    0.139081E+02 -0.415085E-06 0.100000E-04    0.951118E+00
 110    0.917187E-05    0.122431E+02 -0.749143E-06 0.100000E-04    0.845151E+00
 111    0.276409E-06    0.100910E+02 -0.273916E-07 0.100000E-04    0.340083E+00
 112   -0.331134E-01    0.904747E+01  0.100000E-04 0.100000E-04    0.602324E+00
 113    0.943386E-01    0.574526E+01 -0.229193E-04 0.229193E-04    0.160393E+00
 114    0.913382E+00    0.317251E+01  0.100000E-04 0.100000E-04    0.785109E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2291926994E-04    0.2673296588    

 Beginning of optimization cycle  596.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995200591
 potential> RMS force:                                               0.0860584557   |gradient|=.9188528657    
 Eigenvalues of the Hessian matrix:
   746.63632    674.06955    630.65713    600.74694    586.37379    578.88685 
   564.94891    487.45728    460.62183    459.77785    441.67093    429.37016 
   421.91090    407.96064    396.34237    387.48223    370.02548    360.56644 
   349.35212    335.29132    329.29531    321.83267    319.11948    309.40491 
   300.82314    290.60041    278.98006    272.73115    268.53550    264.95052 
   263.82971    253.22207    241.57079    240.77011    234.00454    227.51621 
   217.12637    214.89069    213.26353    207.67116    203.00294    195.44121 
   194.83769    191.35767    182.95190    174.35004    172.33460    168.21291 
   163.22508    156.87637    154.90644    152.25711    146.67143    143.35155 
   138.08768    135.87320    130.29391    128.83771    126.89653    124.08523 
   120.00957    118.16623    116.84205    110.36049    106.82790    104.45108 
   102.85467     99.51312     96.09245     94.10561     91.97275     91.22912 
    88.42432     85.60593     80.83398     80.49495     77.95896     73.28711 
    72.56192     67.92047     64.75818     61.35411     59.83912     59.39952 
    58.13673     55.87659     52.44688     52.03339     50.23547     46.16216 
    43.33538     40.91532     37.86836     36.21122     32.27194     28.89866 
    28.45211     26.29649     23.33382     21.32481     19.85482     16.45668 
    13.90815     12.24316     10.09093      9.04907      5.74546      3.17221 
overlap for current and previous eigenvector    109 is         0.9999999876
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999692
overlap for current and previous eigenvector    112 is         0.9999999292
overlap for current and previous eigenvector    113 is         0.9999999238
overlap for current and previous eigenvector    114 is         0.9999999624
J1,K1,R1,R2,RAT=   7   7    0.3526817959E-02     1.996462348        0.9964623480    
FOB,PFOB,DIAG,PSTEP=   -0.1736151403E-06   -0.1742296197E-06     746.6363156        0.2333539903E-09
J1,K1,R1,R2,RAT=   8   8   -0.4495002702E-01     2.044954293        0.9550499730    
FOB,PFOB,DIAG,PSTEP=   -0.4289215273E-06   -0.4104708891E-06     674.0695463        0.6089431213E-09
J1,K1,R1,R2,RAT=   9   9   -0.4794170605E-01     2.047931824        0.9520582940    
FOB,PFOB,DIAG,PSTEP=   -0.7681645637E-06   -0.7330220618E-06     630.6571309        0.1162320456E-08
J1,K1,R1,R2,RAT=  10  10    -1.163798698         3.163806455        0.1637986977    
FOB,PFOB,DIAG,PSTEP=   -0.4397792637E-07   -0.2032444985E-07     600.7469392        0.3383183449E-10
J1,K1,R1,R2,RAT=  11  11   -0.1194050363         2.119407168        0.8805949637    
FOB,PFOB,DIAG,PSTEP=    0.2491466713E-07    0.2225706438E-07     586.3737929       -0.3795708630E-10
J1,K1,R1,R2,RAT= 109 109   -0.4444750101E-01     2.044438865        0.9555524990    
FOB,PFOB,DIAG,PSTEP=    0.6029639817E-05    0.5773041444E-05     13.90814838       -0.4150851869E-06
J1,K1,R1,R2,RAT= 110 110   -0.1515432010         2.151540314        0.8484567990    
FOB,PFOB,DIAG,PSTEP=    0.1056180685E-04    0.9171870267E-05     12.24316066       -0.7491434410E-06
J1,K1,R1,R2,RAT= 111 111    -2.006592533         4.006606931         1.006592533    
FOB,PFOB,DIAG,PSTEP=    0.8310449831E-06    0.2764089136E-06     10.09092916       -0.2739162266E-07
J1,K1,R1,R2,RAT= 112 112    0.3659142945         731.4965729        0.6340857055    
FOB,PFOB,DIAG,PSTEP=   -0.3308025095E-01   -0.3311336277E-01     9.049066828        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7880373703         1433.614604        0.2119626297    
FOB,PFOB,DIAG,PSTEP=    0.9444237597E-01    0.9433860578E-01     5.745463160       -0.2291926994E-04
J1,K1,R1,R2,RAT= 114 114    0.1677834591        -57586.61229        0.8322165409    
FOB,PFOB,DIAG,PSTEP=    0.9133876076        0.9133822852         3.172212812        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001      0.00002      0.00002 
     0.00001      0.00001      0.00000     -0.03308      0.09444      0.91339 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3826108404
 Log product of positive Hessian eigenvalues =          519.0710170505
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1722128116
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000074
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=        0.0000000090
 Unscaled step for mode   57=       -0.0000000026
 Unscaled step for mode   58=        0.0000000061
 Unscaled step for mode   59=       -0.0000000045
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000076
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=       -0.0000000167
 Unscaled step for mode   64=        0.0000000012
 Unscaled step for mode   65=       -0.0000000112
 Unscaled step for mode   66=        0.0000000055
 Unscaled step for mode   67=        0.0000000162
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000129
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=        0.0000000093
 Unscaled step for mode   73=       -0.0000000019
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000013
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=       -0.0000000164
 Unscaled step for mode   78=        0.0000000097
 Unscaled step for mode   79=       -0.0000000082
 Unscaled step for mode   80=       -0.0000000062
 Unscaled step for mode   81=        0.0000000163
 Unscaled step for mode   82=       -0.0000000165
 Unscaled step for mode   83=        0.0000000034
 Unscaled step for mode   84=       -0.0000000069
 Unscaled step for mode   85=       -0.0000000307
 Unscaled step for mode   86=       -0.0000000096
 Unscaled step for mode   87=       -0.0000000155
 Unscaled step for mode   88=       -0.0000000208
 Unscaled step for mode   89=        0.0000000366
 Unscaled step for mode   90=       -0.0000000378
 Unscaled step for mode   91=        0.0000000532
 Unscaled step for mode   92=        0.0000000666
 Unscaled step for mode   93=        0.0000000641
 Unscaled step for mode   94=        0.0000000122
 Unscaled step for mode   95=       -0.0000000419
 Unscaled step for mode   96=       -0.0000000276
 Unscaled step for mode   97=        0.0000000808
 Unscaled step for mode   98=        0.0000000182
 Unscaled step for mode   99=        0.0000000588
 Unscaled step for mode  100=        0.0000000471
 Unscaled step for mode  101=        0.0000003515
 Unscaled step for mode  102=       -0.0000000086
 Unscaled step for mode  103=       -0.0000000943
 Unscaled step for mode  104=       -0.0000000569
 Unscaled step for mode  105=       -0.0000002751
 Unscaled step for mode  106=        0.0000002640
 Unscaled step for mode  107=       -0.0000011079
 Unscaled step for mode  108=       -0.0000015021
 Unscaled step for mode  109=       -0.0000004335
 Unscaled step for mode  110=       -0.0000008627
 Unscaled step for mode  111=       -0.0000000824
 Unscaled step for mode  112=        0.0036556044
 Unscaled step for mode  113=       -0.0164332916
 Unscaled step for mode  114=        0.2673530594
 Largest modulus ratio of non-zero e/values=           235.3676629    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.307697E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.238091E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.111456E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.143928E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.278686E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.436421E-14    0.974298E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173615E-06    0.746636E+03  0.232530E-09 0.100000E-04    0.996462E+00
   8   -0.428922E-06    0.674070E+03  0.636316E-09 0.100000E-04    0.955050E+00
   9   -0.768165E-06    0.630657E+03  0.121804E-08 0.100000E-04    0.952058E+00
  10   -0.439779E-07    0.600747E+03  0.732054E-10 0.109000E-04    0.163799E+00
  11    0.249147E-07    0.586374E+03 -0.424894E-10 0.100000E-04    0.880595E+00
  12   -0.109849E-05    0.578887E+03  0.189760E-08 0.100000E-04    0.948011E+00
  13    0.500251E-07    0.564949E+03 -0.885481E-10 0.100000E-04    0.940367E+00
  14    0.464444E-06    0.487457E+03 -0.952789E-09 0.100000E-04    0.937383E+00
  15   -0.459187E-06    0.460622E+03  0.996884E-09 0.100000E-04    0.945554E+00
  16   -0.138499E-06    0.459778E+03  0.301230E-09 0.100000E-04    0.800814E+00
  17   -0.620383E-06    0.441671E+03  0.140463E-08 0.100000E-04    0.911644E+00
  18   -0.447611E-06    0.429370E+03  0.104248E-08 0.100000E-04    0.940508E+00
  19   -0.125841E-06    0.421911E+03  0.298265E-09 0.100000E-04    0.791581E+00
  20   -0.408748E-06    0.407961E+03  0.100193E-08 0.100000E-04    0.929592E+00
  21   -0.459566E-06    0.396342E+03  0.115952E-08 0.100000E-04    0.926324E+00
  22   -0.665460E-06    0.387482E+03  0.171739E-08 0.100000E-04    0.992661E+00
  23    0.871835E-06    0.370025E+03 -0.235615E-08 0.100000E-04    0.929607E+00
  24   -0.453716E-06    0.360566E+03  0.125834E-08 0.100000E-04    0.979726E+00
  25   -0.563584E-07    0.349352E+03  0.161323E-09 0.100000E-04    0.621184E+00
  26   -0.390801E-07    0.335291E+03  0.116556E-09 0.100000E-04    0.449462E+00
  27    0.396128E-06    0.329295E+03 -0.120296E-08 0.100000E-04    0.895870E+00
  28   -0.418033E-06    0.321833E+03  0.129891E-08 0.100000E-04    0.905202E+00
  29   -0.107864E-06    0.319119E+03  0.338004E-09 0.109000E-04    0.184655E+00
  30   -0.143457E-05    0.309405E+03  0.463653E-08 0.100000E-04    0.967865E+00
  31   -0.108749E-05    0.300823E+03  0.361506E-08 0.100000E-04    0.960216E+00
  32   -0.129288E-05    0.290600E+03  0.444899E-08 0.100000E-04    0.973296E+00
  33   -0.424150E-07    0.278980E+03  0.152036E-09 0.100000E-04    0.413605E+02
  34   -0.286966E-07    0.272731E+03  0.105219E-09 0.100000E-04    0.404681E+00
  35    0.108980E-05    0.268535E+03 -0.405830E-08 0.100000E-04    0.974243E+00
  36    0.131366E-05    0.264951E+03 -0.495812E-08 0.100000E-04    0.984729E+00
  37   -0.530456E-06    0.263830E+03  0.201060E-08 0.100000E-04    0.900459E+00
  38   -0.150404E-06    0.253222E+03  0.593962E-09 0.100000E-04    0.984157E+00
  39   -0.338943E-06    0.241571E+03  0.140308E-08 0.100000E-04    0.909524E+00
  40   -0.132961E-05    0.240770E+03  0.552232E-08 0.100000E-04    0.987941E+00
  41   -0.102850E-05    0.234005E+03  0.439523E-08 0.100000E-04    0.994918E+00
  42   -0.179423E-05    0.227516E+03  0.788614E-08 0.100000E-04    0.969817E+00
  43   -0.315516E-07    0.217126E+03  0.145315E-09 0.100000E-04    0.947774E+00
  44   -0.208062E-05    0.214891E+03  0.968222E-08 0.100000E-04    0.971543E+00
  45    0.707939E-06    0.213264E+03 -0.331955E-08 0.100000E-04    0.984426E+00
  46    0.112247E-05    0.207671E+03 -0.540503E-08 0.100000E-04    0.983540E+00
  47   -0.795085E-06    0.203003E+03  0.391662E-08 0.100000E-04    0.968546E+00
  48   -0.127090E-05    0.195441E+03  0.650272E-08 0.100000E-04    0.935611E+00
  49    0.999024E-06    0.194838E+03 -0.512747E-08 0.100000E-04    0.953058E+00
  50    0.141948E-05    0.191358E+03 -0.741795E-08 0.100000E-04    0.886565E+00
  51    0.243573E-06    0.182952E+03 -0.133135E-08 0.100000E-04    0.869671E+00
  52   -0.627524E-06    0.174350E+03  0.359922E-08 0.100000E-04    0.936032E+00
  53    0.869021E-07    0.172335E+03 -0.504264E-09 0.100000E-04    0.805276E+00
  54   -0.221750E-06    0.168213E+03  0.131827E-08 0.100000E-04    0.946597E+00
  55    0.872142E-06    0.163225E+03 -0.534319E-08 0.100000E-04    0.993748E+00
  56   -0.141204E-05    0.156876E+03  0.900094E-08 0.100000E-04    0.974639E+00
  57    0.409896E-06    0.154906E+03 -0.264609E-08 0.100000E-04    0.827635E+00
  58   -0.932265E-06    0.152257E+03  0.612297E-08 0.100000E-04    0.997834E+00
  59    0.666965E-06    0.146671E+03 -0.454734E-08 0.100000E-04    0.999063E+00
  60   -0.232366E-06    0.143352E+03  0.162095E-08 0.100000E-04    0.705102E+00
  61   -0.105066E-05    0.138088E+03  0.760864E-08 0.100000E-04    0.818659E+00
  62   -0.984450E-06    0.135873E+03  0.724536E-08 0.100000E-04    0.974640E+00
  63    0.217323E-05    0.130294E+03 -0.166794E-07 0.100000E-04    0.923042E+00
  64   -0.150616E-06    0.128838E+03  0.116904E-08 0.100000E-04    0.539881E+00
  65    0.142702E-05    0.126897E+03 -0.112456E-07 0.100000E-04    0.888320E+00
  66   -0.682117E-06    0.124085E+03  0.549717E-08 0.100000E-04    0.884352E+00
  67   -0.194831E-05    0.120010E+03  0.162346E-07 0.100000E-04    0.964042E+00
  68    0.474910E-06    0.118166E+03 -0.401900E-08 0.100000E-04    0.934659E+00
  69    0.790246E-07    0.116842E+03 -0.676337E-09 0.100000E-04    0.126000E+01
  70    0.142547E-05    0.110360E+03 -0.129165E-07 0.100000E-04    0.948751E+00
  71   -0.737710E-06    0.106828E+03  0.690559E-08 0.100000E-04    0.923146E+00
  72   -0.968005E-06    0.104451E+03  0.926754E-08 0.100000E-04    0.886480E+00
  73    0.192295E-06    0.102855E+03 -0.186958E-08 0.100000E-04    0.737250E+00
  74    0.419775E-07    0.995131E+02 -0.421829E-09 0.100000E-04    0.505789E+00
  75    0.122588E-06    0.960924E+02 -0.127573E-08 0.100000E-04    0.501267E+00
  76    0.241571E-06    0.941056E+02 -0.256702E-08 0.100000E-04    0.871376E+00
  77    0.151159E-05    0.919727E+02 -0.164352E-07 0.100000E-04    0.964398E+00
  78   -0.881459E-06    0.912291E+02  0.966203E-08 0.100000E-04    0.974712E+00
  79    0.722405E-06    0.884243E+02 -0.816975E-08 0.100000E-04    0.988437E+00
  80    0.529558E-06    0.856059E+02 -0.618600E-08 0.100000E-04    0.915957E+00
  81   -0.131636E-05    0.808340E+02  0.162848E-07 0.100000E-04    0.993733E+00
  82    0.132734E-05    0.804949E+02 -0.164898E-07 0.100000E-04    0.938381E+00
  83   -0.265216E-06    0.779590E+02  0.340200E-08 0.100000E-04    0.848597E+00
  84    0.505577E-06    0.732871E+02 -0.689857E-08 0.100000E-04    0.394134E+00
  85    0.222746E-05    0.725619E+02 -0.306973E-07 0.100000E-04    0.891291E+00
  86    0.650154E-06    0.679205E+02 -0.957228E-08 0.100000E-04    0.849581E+00
  87    0.100545E-05    0.647582E+02 -0.155263E-07 0.100000E-04    0.788628E+00
  88    0.127325E-05    0.613541E+02 -0.207524E-07 0.100000E-04    0.972365E+00
  89   -0.219218E-05    0.598391E+02  0.366346E-07 0.100000E-04    0.946558E+00
  90    0.224267E-05    0.593995E+02 -0.377557E-07 0.100000E-04    0.979801E+00
  91   -0.309346E-05    0.581367E+02  0.532100E-07 0.100000E-04    0.930045E+00
  92   -0.372069E-05    0.558766E+02  0.665876E-07 0.100000E-04    0.953912E+00
  93   -0.336406E-05    0.524469E+02  0.641421E-07 0.100000E-04    0.985920E+00
  94   -0.632263E-06    0.520334E+02  0.121511E-07 0.100000E-04    0.870003E+00
  95    0.210570E-05    0.502355E+02 -0.419166E-07 0.100000E-04    0.880764E+00
  96    0.127424E-05    0.461622E+02 -0.276037E-07 0.100000E-04    0.931470E+00
  97   -0.350253E-05    0.433354E+02  0.808237E-07 0.100000E-04    0.888973E+00
  98   -0.746288E-06    0.409153E+02  0.182398E-07 0.100000E-04    0.550889E+00
  99   -0.222849E-05    0.378684E+02  0.588482E-07 0.100000E-04    0.793337E+00
 100   -0.170689E-05    0.362112E+02  0.471372E-07 0.100000E-04    0.893008E+00
 101   -0.113434E-04    0.322719E+02  0.351495E-06 0.100000E-04    0.946329E+00
 102    0.247413E-06    0.288987E+02 -0.856138E-08 0.100000E-04    0.987405E+01
 103    0.268407E-05    0.284521E+02 -0.943365E-07 0.100000E-04    0.962503E+00
 104    0.149567E-05    0.262965E+02 -0.568771E-07 0.100000E-04    0.857175E+00
 105    0.641911E-05    0.233338E+02 -0.275099E-06 0.100000E-04    0.933514E+00
 106   -0.562877E-05    0.213248E+02  0.263954E-06 0.100000E-04    0.966341E+00
 107    0.219969E-04    0.198548E+02 -0.110789E-05 0.100000E-04    0.926063E+00
 108    0.247190E-04    0.164567E+02 -0.150207E-05 0.100000E-04    0.936641E+00
 109    0.602964E-05    0.139081E+02 -0.433533E-06 0.100000E-04    0.955552E+00
 110    0.105618E-04    0.122432E+02 -0.862670E-06 0.100000E-04    0.848457E+00
 111    0.831045E-06    0.100909E+02 -0.823556E-07 0.100000E-04    0.100659E+01
 112   -0.330803E-01    0.904907E+01  0.100000E-04 0.100000E-04    0.634086E+00
 113    0.944424E-01    0.574546E+01 -0.206480E-04 0.206480E-04    0.211963E+00
 114    0.913388E+00    0.317221E+01  0.100000E-04 0.100000E-04    0.832217E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2064799094E-04    0.2673530594    

 Beginning of optimization cycle  597.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995132043
 potential> RMS force:                                               0.0860599620   |gradient|=.9188689491    
 Eigenvalues of the Hessian matrix:
   746.64023    674.06835    630.66012    600.74460    586.37325    578.88711 
   564.94499    487.45698    460.62051    459.77730    441.67034    429.37138 
   421.91030    407.95903    396.34182    387.48080    370.02594    360.56659 
   349.35135    335.29194    329.29617    321.83246    319.12007    309.40376 
   300.82251    290.60046    278.98148    272.73160    268.53569    264.95084 
   263.83029    253.22143    241.57102    240.77055    234.00529    227.51650 
   217.12705    214.89083    213.26324    207.67164    203.00253    195.44039 
   194.83804    191.35814    182.95261    174.35076    172.33483    168.21317 
   163.22475    156.87614    154.90694    152.25693    146.67083    143.35117 
   138.08819    135.87320    130.29366    128.83792    126.89673    124.08414 
   120.00975    118.16637    116.84164    110.36073    106.82774    104.45133 
   102.85475     99.51306     96.09226     94.10540     91.97233     91.22933 
    88.42381     85.60623     80.83405     80.49561     77.95875     73.28692 
    72.56137     67.92019     64.75773     61.35363     59.83889     59.39963 
    58.13670     55.87638     52.44678     52.03303     50.23606     46.16175 
    43.33594     40.91544     37.86833     36.21092     32.27157     28.89900 
    28.45217     26.29676     23.33371     21.32505     19.85471     16.45658 
    13.90821     12.24318     10.09085      9.05056      5.74564      3.17192 
overlap for current and previous eigenvector    109 is         0.9999999893
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999744
overlap for current and previous eigenvector    112 is         0.9999999390
overlap for current and previous eigenvector    113 is         0.9999999331
overlap for current and previous eigenvector    114 is         0.9999999675
J1,K1,R1,R2,RAT=   7   7   -0.1079737264E-01     2.010786880        0.9892026274    
FOB,PFOB,DIAG,PSTEP=   -0.1754897375E-06   -0.1736151403E-06     746.6402326        0.2325297292E-09
J1,K1,R1,R2,RAT=   8   8    0.5152392989E-01     1.948479630        0.9484760701    
FOB,PFOB,DIAG,PSTEP=   -0.4068218439E-06   -0.4289215273E-06     674.0683465        0.6363164300E-09
J1,K1,R1,R2,RAT=   9   9    0.5552101648E-01     1.944469517        0.9444695165    
FOB,PFOB,DIAG,PSTEP=   -0.7255150844E-06   -0.7681645637E-06     630.6601161        0.1218038338E-08
J1,K1,R1,R2,RAT=  10  10    0.6215976431         1.378410149        0.3784023569    
FOB,PFOB,DIAG,PSTEP=   -0.1664145750E-07   -0.4397792637E-07     600.7445987        0.7320541064E-10
J1,K1,R1,R2,RAT=  11  11    0.1750804449         1.824921403        0.8249195551    
FOB,PFOB,DIAG,PSTEP=    0.2055260015E-07    0.2491466713E-07     586.3732512       -0.4248939402E-10
J1,K1,R1,R2,RAT= 109 109    0.4802932368E-01     1.951962220        0.9519622196    
FOB,PFOB,DIAG,PSTEP=    0.5740039070E-05    0.6029639817E-05     13.90820719       -0.4335328938E-06
J1,K1,R1,R2,RAT= 110 110    0.1562889078         1.843708091        0.8437080909    
FOB,PFOB,DIAG,PSTEP=    0.8911111119E-05    0.1056180685E-04     12.24317903       -0.8626699547E-06
J1,K1,R1,R2,RAT= 111 111    0.6372918971         1.362722828        0.3627081029    
FOB,PFOB,DIAG,PSTEP=    0.3014306486E-06    0.8310449831E-06     10.09085486       -0.8235564536E-07
J1,K1,R1,R2,RAT= 112 112    0.4044833744         730.6054703        0.5955166256    
FOB,PFOB,DIAG,PSTEP=   -0.3304364293E-01   -0.3308025095E-01     9.050561016        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8442662765         1592.981342        0.1557337235    
FOB,PFOB,DIAG,PSTEP=    0.9454253634E-01    0.9444237597E-01     5.745643071       -0.2064799094E-04
J1,K1,R1,R2,RAT= 114 114    0.2251997820        -57592.27750        0.7748002180    
FOB,PFOB,DIAG,PSTEP=    0.9133947508        0.9133876076         3.171922413        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000      0.00000      0.00001     -0.00001      0.00002      0.00002 
     0.00001      0.00001      0.00000     -0.03304      0.09454      0.91339 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3825890488
 Log product of positive Hessian eigenvalues =          519.0710932677
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1719224131
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000054
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=       -0.0000000022
 Unscaled step for mode   58=        0.0000000061
 Unscaled step for mode   59=       -0.0000000045
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000062
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=       -0.0000000152
 Unscaled step for mode   64=        0.0000000003
 Unscaled step for mode   65=       -0.0000000099
 Unscaled step for mode   66=        0.0000000048
 Unscaled step for mode   67=        0.0000000155
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=        0.0000000107
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=       -0.0000000027
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=        0.0000000093
 Unscaled step for mode   79=       -0.0000000080
 Unscaled step for mode   80=       -0.0000000056
 Unscaled step for mode   81=        0.0000000161
 Unscaled step for mode   82=       -0.0000000153
 Unscaled step for mode   83=        0.0000000041
 Unscaled step for mode   84=       -0.0000000038
 Unscaled step for mode   85=       -0.0000000272
 Unscaled step for mode   86=       -0.0000000080
 Unscaled step for mode   87=       -0.0000000122
 Unscaled step for mode   88=       -0.0000000213
 Unscaled step for mode   89=        0.0000000345
 Unscaled step for mode   90=       -0.0000000368
 Unscaled step for mode   91=        0.0000000486
 Unscaled step for mode   92=        0.0000000629
 Unscaled step for mode   93=        0.0000000628
 Unscaled step for mode   94=        0.0000000141
 Unscaled step for mode   95=       -0.0000000368
 Unscaled step for mode   96=       -0.0000000252
 Unscaled step for mode   97=        0.0000000711
 Unscaled step for mode   98=        0.0000000118
 Unscaled step for mode   99=        0.0000000470
 Unscaled step for mode  100=        0.0000000417
 Unscaled step for mode  101=        0.0000003285
 Unscaled step for mode  102=        0.0000000011
 Unscaled step for mode  103=       -0.0000000903
 Unscaled step for mode  104=       -0.0000000693
 Unscaled step for mode  105=       -0.0000002538
 Unscaled step for mode  106=        0.0000002530
 Unscaled step for mode  107=       -0.0000010132
 Unscaled step for mode  108=       -0.0000013908
 Unscaled step for mode  109=       -0.0000004127
 Unscaled step for mode  110=       -0.0000007278
 Unscaled step for mode  111=       -0.0000000299
 Unscaled step for mode  112=        0.0036509563
 Unscaled step for mode  113=       -0.0164501956
 Unscaled step for mode  114=        0.2673760823
 Largest modulus ratio of non-zero e/values=           235.3904463    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.137911E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.166365E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.157903E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.706629E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.110372E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.324093E-14    0.974298E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175490E-06    0.746640E+03  0.235039E-09 0.100000E-04    0.989203E+00
   8   -0.406822E-06    0.674068E+03  0.603532E-09 0.100000E-04    0.948476E+00
   9   -0.725515E-06    0.630660E+03  0.115041E-08 0.100000E-04    0.944470E+00
  10   -0.166415E-07    0.600745E+03  0.277014E-10 0.100000E-04    0.378402E+00
  11    0.205526E-07    0.586373E+03 -0.350504E-10 0.100000E-04    0.824920E+00
  12   -0.103388E-05    0.578887E+03  0.178598E-08 0.100000E-04    0.941180E+00
  13    0.535050E-07    0.564945E+03 -0.947084E-10 0.100000E-04    0.930437E+00
  14    0.432841E-06    0.487457E+03 -0.887957E-09 0.100000E-04    0.931955E+00
  15   -0.430462E-06    0.460621E+03  0.934526E-09 0.100000E-04    0.937444E+00
  16   -0.111103E-06    0.459777E+03  0.241646E-09 0.100000E-04    0.802197E+00
  17   -0.561338E-06    0.441670E+03  0.127094E-08 0.100000E-04    0.904826E+00
  18   -0.416861E-06    0.429371E+03  0.970863E-09 0.100000E-04    0.931296E+00
  19   -0.164673E-06    0.421910E+03  0.390303E-09 0.100000E-04    0.691424E+00
  20   -0.376498E-06    0.407959E+03  0.922882E-09 0.100000E-04    0.921099E+00
  21   -0.421951E-06    0.396342E+03  0.106461E-08 0.100000E-04    0.918151E+00
  22   -0.657760E-06    0.387481E+03  0.169753E-08 0.100000E-04    0.988429E+00
  23    0.803761E-06    0.370026E+03 -0.217218E-08 0.100000E-04    0.921917E+00
  24   -0.442492E-06    0.360567E+03  0.122721E-08 0.100000E-04    0.975263E+00
  25   -0.960046E-07    0.349351E+03  0.274808E-09 0.100000E-04    0.296533E+00
  26   -0.976648E-07    0.335292E+03  0.291283E-09 0.100000E-04    0.499090E+00
  27    0.350311E-06    0.329296E+03 -0.106382E-08 0.100000E-04    0.884332E+00
  28   -0.373270E-06    0.321832E+03  0.115983E-08 0.100000E-04    0.892921E+00
  29   -0.338797E-07    0.319120E+03  0.106166E-09 0.100000E-04    0.314096E+00
  30   -0.137416E-05    0.309404E+03  0.444131E-08 0.100000E-04    0.957891E+00
  31   -0.103663E-05    0.300823E+03  0.344598E-08 0.100000E-04    0.953225E+00
  32   -0.124957E-05    0.290600E+03  0.429997E-08 0.100000E-04    0.966504E+00
  33    0.759818E-08    0.278981E+03 -0.272354E-10 0.109000E-04    0.179133E+00
  34   -0.806841E-07    0.272732E+03  0.295837E-09 0.100000E-04    0.811622E+00
  35    0.105326E-05    0.268536E+03 -0.392225E-08 0.100000E-04    0.966476E+00
  36    0.128786E-05    0.264951E+03 -0.486077E-08 0.100000E-04    0.980364E+00
  37   -0.473899E-06    0.263830E+03  0.179622E-08 0.100000E-04    0.893375E+00
  38   -0.152908E-06    0.253221E+03  0.603850E-09 0.100000E-04    0.983354E+00
  39   -0.381960E-06    0.241571E+03  0.158115E-08 0.100000E-04    0.873083E+00
  40   -0.130827E-05    0.240771E+03  0.543370E-08 0.100000E-04    0.983951E+00
  41   -0.103511E-05    0.234005E+03  0.442343E-08 0.100000E-04    0.993580E+00
  42   -0.172428E-05    0.227517E+03  0.757872E-08 0.100000E-04    0.961016E+00
  43   -0.278374E-07    0.217127E+03  0.128208E-09 0.100000E-04    0.882274E+00
  44   -0.200914E-05    0.214891E+03  0.934959E-08 0.100000E-04    0.965645E+00
  45    0.718647E-06    0.213263E+03 -0.336976E-08 0.100000E-04    0.984875E+00
  46    0.110216E-05    0.207672E+03 -0.530724E-08 0.100000E-04    0.981906E+00
  47   -0.766413E-06    0.203003E+03  0.377539E-08 0.100000E-04    0.963939E+00
  48   -0.117445E-05    0.195440E+03  0.600923E-08 0.100000E-04    0.924106E+00
  49    0.946521E-06    0.194838E+03 -0.485799E-08 0.100000E-04    0.947442E+00
  50    0.124465E-05    0.191358E+03 -0.650428E-08 0.100000E-04    0.876828E+00
  51    0.209285E-06    0.182953E+03 -0.114393E-08 0.100000E-04    0.859221E+00
  52   -0.580305E-06    0.174351E+03  0.332837E-08 0.100000E-04    0.924745E+00
  53    0.112859E-06    0.172335E+03 -0.654880E-09 0.100000E-04    0.701313E+00
  54   -0.235564E-06    0.168213E+03  0.140039E-08 0.100000E-04    0.937706E+00
  55    0.873290E-06    0.163225E+03 -0.535023E-08 0.100000E-04    0.998683E+00
  56   -0.136963E-05    0.156876E+03  0.873062E-08 0.100000E-04    0.969966E+00
  57    0.340721E-06    0.154907E+03 -0.219952E-08 0.100000E-04    0.831232E+00
  58   -0.930787E-06    0.152257E+03  0.611326E-08 0.100000E-04    0.998414E+00
  59    0.663483E-06    0.146671E+03 -0.452362E-08 0.100000E-04    0.994779E+00
  60   -0.171579E-06    0.143351E+03  0.119691E-08 0.100000E-04    0.738398E+00
  61   -0.858926E-06    0.138088E+03  0.622012E-08 0.100000E-04    0.817504E+00
  62   -0.952582E-06    0.135873E+03  0.701082E-08 0.100000E-04    0.967629E+00
  63    0.198380E-05    0.130294E+03 -0.152256E-07 0.100000E-04    0.912836E+00
  64   -0.398933E-07    0.128838E+03  0.309640E-09 0.100000E-04    0.264866E+00
  65    0.125819E-05    0.126897E+03 -0.991508E-08 0.100000E-04    0.881687E+00
  66   -0.600446E-06    0.124084E+03  0.483903E-08 0.100000E-04    0.880267E+00
  67   -0.186459E-05    0.120010E+03  0.155370E-07 0.100000E-04    0.957025E+00
  68    0.439965E-06    0.118166E+03 -0.372327E-08 0.100000E-04    0.926416E+00
  69    0.186077E-07    0.116842E+03 -0.159255E-09 0.100000E-04    0.235464E+00
  70    0.134109E-05    0.110361E+03 -0.121519E-07 0.100000E-04    0.940804E+00
  71   -0.675187E-06    0.106828E+03  0.632034E-08 0.100000E-04    0.915247E+00
  72   -0.111546E-05    0.104451E+03  0.106793E-07 0.100000E-04    0.847668E+00
  73    0.144355E-06    0.102855E+03 -0.140348E-08 0.100000E-04    0.750696E+00
  74    0.880374E-07    0.995131E+02 -0.884682E-09 0.109000E-04    0.972519E-01
  75    0.263685E-06    0.960923E+02 -0.274408E-08 0.109000E-04    0.150990E+00
  76    0.207054E-06    0.941054E+02 -0.220023E-08 0.100000E-04    0.857114E+00
  77   -0.157405E-05    0.919723E+02  0.171144E-07 0.100000E-04    0.958682E+00
  78   -0.850955E-06    0.912293E+02  0.932765E-08 0.100000E-04    0.965390E+00
  79    0.709075E-06    0.884238E+02 -0.801905E-08 0.100000E-04    0.981548E+00
  80    0.482341E-06    0.856062E+02 -0.563442E-08 0.100000E-04    0.910831E+00
  81   -0.130228E-05    0.808340E+02  0.161105E-07 0.100000E-04    0.989298E+00
  82    0.123400E-05    0.804956E+02 -0.153300E-07 0.100000E-04    0.929658E+00
  83   -0.320356E-06    0.779587E+02  0.410930E-08 0.100000E-04    0.792095E+00
  84    0.278618E-06    0.732869E+02 -0.380174E-08 0.100000E-04    0.551088E+00
  85    0.197360E-05    0.725614E+02 -0.271991E-07 0.100000E-04    0.886034E+00
  86    0.546739E-06    0.679202E+02 -0.804972E-08 0.100000E-04    0.840937E+00
  87    0.790804E-06    0.647577E+02 -0.122117E-07 0.100000E-04    0.786515E+00
  88    0.130747E-05    0.613536E+02 -0.213104E-07 0.100000E-04    0.973119E+00
  89   -0.206163E-05    0.598389E+02  0.344530E-07 0.100000E-04    0.940444E+00
  90    0.218404E-05    0.593996E+02 -0.367686E-07 0.100000E-04    0.973854E+00
  91   -0.282555E-05    0.581367E+02  0.486019E-07 0.100000E-04    0.913397E+00
  92   -0.351232E-05    0.558764E+02  0.628587E-07 0.100000E-04    0.943996E+00
  93   -0.329348E-05    0.524468E+02  0.627966E-07 0.100000E-04    0.979021E+00
  94   -0.736177E-06    0.520330E+02  0.141483E-07 0.100000E-04    0.835646E+00
  95    0.184843E-05    0.502361E+02 -0.367948E-07 0.100000E-04    0.877797E+00
  96    0.116140E-05    0.461617E+02 -0.251595E-07 0.100000E-04    0.911445E+00
  97   -0.308116E-05    0.433359E+02  0.710995E-07 0.100000E-04    0.879674E+00
  98   -0.483350E-06    0.409154E+02  0.118134E-07 0.100000E-04    0.647668E+00
  99   -0.177988E-05    0.378683E+02  0.470018E-07 0.100000E-04    0.798695E+00
 100   -0.150947E-05    0.362109E+02  0.416855E-07 0.100000E-04    0.884335E+00
 101   -0.105999E-04    0.322716E+02  0.328460E-06 0.100000E-04    0.934455E+00
 102   -0.319312E-07    0.288990E+02  0.110492E-08 0.109000E-04    0.129048E+00
 103    0.256989E-05    0.284522E+02 -0.903230E-07 0.100000E-04    0.957454E+00
 104    0.182183E-05    0.262968E+02 -0.692798E-07 0.100000E-04    0.781928E+00
 105    0.592160E-05    0.233337E+02 -0.253779E-06 0.100000E-04    0.922495E+00
 106   -0.539497E-05    0.213251E+02  0.252987E-06 0.100000E-04    0.958440E+00
 107    0.201169E-04    0.198547E+02 -0.101321E-05 0.100000E-04    0.914533E+00
 108    0.228885E-04    0.164566E+02 -0.139084E-05 0.100000E-04    0.925945E+00
 109    0.574004E-05    0.139082E+02 -0.412709E-06 0.100000E-04    0.951962E+00
 110    0.891111E-05    0.122432E+02 -0.727843E-06 0.100000E-04    0.843708E+00
 111    0.301431E-06    0.100909E+02 -0.298717E-07 0.100000E-04    0.362708E+00
 112   -0.330436E-01    0.905056E+01  0.100000E-04 0.100000E-04    0.595517E+00
 113    0.945425E-01    0.574564E+01 -0.225063E-04 0.225063E-04    0.155734E+00
 114    0.913395E+00    0.317192E+01  0.100000E-04 0.100000E-04    0.774800E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2250631012E-04    0.2673760823    

 Beginning of optimization cycle  598.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2995065266
 potential> RMS force:                                               0.0860613643   |gradient|=.9188839212    
 Eigenvalues of the Hessian matrix:
   746.64424    674.06694    630.66320    600.74228    586.37264    578.88737 
   564.94083    487.45659    460.61914    459.77673    441.66971    429.37275 
   421.90966    407.95732    396.34123    387.47932    370.02643    360.56678 
   349.35063    335.29261    329.29709    321.83219    319.12079    309.40257 
   300.82193    290.60053    278.98302    272.73207    268.53596    264.95118 
   263.83097    253.22083    241.57133    240.77099    234.00612    227.51685 
   217.12780    214.89097    213.26294    207.67215    203.00209    195.43956 
   194.83844    191.35862    182.95337    174.35152    172.33508    168.21346 
   163.22441    156.87591    154.90748    152.25674    146.67020    143.35075 
   138.08874    135.87320    130.29338    128.83814    126.89693    124.08297 
   120.00993    118.16650    116.84119    110.36098    106.82755    104.45156 
   102.85482     99.51298     96.09204     94.10517     91.97192     91.22956 
    88.42328     85.60655     80.83413     80.49633     77.95852     73.28670 
    72.56076     67.91988     64.75725     61.35315     59.83865     59.39973 
    58.13664     55.87614     52.44667     52.03263     50.23667     46.16130 
    43.33652     40.91555     37.86828     36.21054     32.27118     28.89933 
    28.45223     26.29704     23.33362     21.32529     19.85462     16.45648 
    13.90827     12.24320     10.09078      9.05214      5.74584      3.17162 
overlap for current and previous eigenvector    109 is         0.9999999879
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999698
overlap for current and previous eigenvector    112 is         0.9999999307
overlap for current and previous eigenvector    113 is         0.9999999259
overlap for current and previous eigenvector    114 is         0.9999999635
J1,K1,R1,R2,RAT=   7   7    0.3516758186E-02     1.996472512        0.9964725121    
FOB,PFOB,DIAG,PSTEP=   -0.1748725792E-06   -0.1754897375E-06     746.6442383        0.2350392194E-09
J1,K1,R1,R2,RAT=   8   8   -0.4454538301E-01     2.044549557        0.9554546170    
FOB,PFOB,DIAG,PSTEP=   -0.4249438410E-06   -0.4068218439E-06     674.0669396        0.6035320395E-09
J1,K1,R1,R2,RAT=   9   9   -0.4751732974E-01     2.047507549        0.9524826703    
FOB,PFOB,DIAG,PSTEP=   -0.7599897925E-06   -0.7255150844E-06     630.6632003        0.1150405846E-08
J1,K1,R1,R2,RAT=  10  10    -1.397715623         3.397723357        0.3977156234    
FOB,PFOB,DIAG,PSTEP=   -0.3990139269E-07   -0.1664145750E-07     600.7422757        0.2770138514E-10
J1,K1,R1,R2,RAT=  11  11   -0.1254179445         2.125420021        0.8745820555    
FOB,PFOB,DIAG,PSTEP=    0.2313026235E-07    0.2055260015E-07     586.3726425       -0.3505037127E-10
J1,K1,R1,R2,RAT= 109 109   -0.4375668074E-01     2.043748040        0.9562433193    
FOB,PFOB,DIAG,PSTEP=    0.5991205212E-05    0.5740039070E-05     13.90826728       -0.4127087690E-06
J1,K1,R1,R2,RAT= 110 110   -0.1532136011         2.153210611        0.8467863989    
FOB,PFOB,DIAG,PSTEP=    0.1027641659E-04    0.8911111119E-05     12.24319734       -0.7278429151E-06
J1,K1,R1,R2,RAT= 111 111    -1.817468205         3.817482494        0.8174682055    
FOB,PFOB,DIAG,PSTEP=    0.8492673547E-06    0.3014306486E-06     10.09078278       -0.2987166624E-07
J1,K1,R1,R2,RAT= 112 112    0.3733278540         729.7002625        0.6266721460    
FOB,PFOB,DIAG,PSTEP=   -0.3300984877E-01   -0.3304364293E-01     9.052140324        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7922219680         1462.967313        0.2077780320    
FOB,PFOB,DIAG,PSTEP=    0.9464498463E-01    0.9454253634E-01     5.745840483       -0.2250631012E-04
J1,K1,R1,R2,RAT= 114 114    0.1788963290        -57598.13729        0.8211036710    
FOB,PFOB,DIAG,PSTEP=    0.9134004247        0.9133947508         3.171621968        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001      0.00002      0.00002 
     0.00001      0.00001      0.00000     -0.03301      0.09464      0.91340 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3825686786
 Log product of positive Hessian eigenvalues =          519.0711747945
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1716219680
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=        0.0000000089
 Unscaled step for mode   57=       -0.0000000026
 Unscaled step for mode   58=        0.0000000061
 Unscaled step for mode   59=       -0.0000000045
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000074
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=       -0.0000000164
 Unscaled step for mode   64=        0.0000000010
 Unscaled step for mode   65=       -0.0000000110
 Unscaled step for mode   66=        0.0000000054
 Unscaled step for mode   67=        0.0000000161
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000128
 Unscaled step for mode   71=        0.0000000068
 Unscaled step for mode   72=        0.0000000095
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000015
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=        0.0000000165
 Unscaled step for mode   78=        0.0000000096
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=       -0.0000000061
 Unscaled step for mode   81=        0.0000000162
 Unscaled step for mode   82=       -0.0000000163
 Unscaled step for mode   83=        0.0000000035
 Unscaled step for mode   84=       -0.0000000064
 Unscaled step for mode   85=       -0.0000000302
 Unscaled step for mode   86=       -0.0000000093
 Unscaled step for mode   87=       -0.0000000149
 Unscaled step for mode   88=       -0.0000000207
 Unscaled step for mode   89=        0.0000000363
 Unscaled step for mode   90=       -0.0000000375
 Unscaled step for mode   91=        0.0000000520
 Unscaled step for mode   92=        0.0000000657
 Unscaled step for mode   93=        0.0000000637
 Unscaled step for mode   94=        0.0000000124
 Unscaled step for mode   95=       -0.0000000412
 Unscaled step for mode   96=       -0.0000000269
 Unscaled step for mode   97=        0.0000000790
 Unscaled step for mode   98=        0.0000000174
 Unscaled step for mode   99=        0.0000000569
 Unscaled step for mode  100=        0.0000000462
 Unscaled step for mode  101=        0.0000003460
 Unscaled step for mode  102=       -0.0000000066
 Unscaled step for mode  103=       -0.0000000937
 Unscaled step for mode  104=       -0.0000000599
 Unscaled step for mode  105=       -0.0000002706
 Unscaled step for mode  106=        0.0000002614
 Unscaled step for mode  107=       -0.0000010881
 Unscaled step for mode  108=       -0.0000014788
 Unscaled step for mode  109=       -0.0000004308
 Unscaled step for mode  110=       -0.0000008394
 Unscaled step for mode  111=       -0.0000000842
 Unscaled step for mode  112=        0.0036465862
 Unscaled step for mode  113=       -0.0164674462
 Unscaled step for mode  114=        0.2673994697
 Largest modulus ratio of non-zero e/values=           235.4140077    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.971554E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.155925E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.235814E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.451837E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.259070E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.376426E-14    0.974298E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174873E-06    0.746644E+03  0.234211E-09 0.100000E-04    0.996473E+00
   8   -0.424944E-06    0.674067E+03  0.630418E-09 0.100000E-04    0.955455E+00
   9   -0.759990E-06    0.630663E+03  0.120506E-08 0.100000E-04    0.952483E+00
  10   -0.399014E-07    0.600742E+03  0.664202E-10 0.100000E-04    0.397716E+00
  11    0.231303E-07    0.586373E+03 -0.394464E-10 0.100000E-04    0.874582E+00
  12   -0.108715E-05    0.578887E+03  0.187801E-08 0.100000E-04    0.948473E+00
  13    0.503786E-07    0.564941E+03 -0.891749E-10 0.100000E-04    0.941566E+00
  14    0.459701E-06    0.487457E+03 -0.943059E-09 0.100000E-04    0.937946E+00
  15   -0.453741E-06    0.460619E+03  0.985068E-09 0.100000E-04    0.945920E+00
  16   -0.133705E-06    0.459777E+03  0.290805E-09 0.100000E-04    0.796568E+00
  17   -0.610797E-06    0.441670E+03  0.138293E-08 0.100000E-04    0.911891E+00
  18   -0.441534E-06    0.429373E+03  0.102832E-08 0.100000E-04    0.940811E+00
  19   -0.132087E-06    0.421910E+03  0.313070E-09 0.100000E-04    0.802120E+00
  20   -0.402881E-06    0.407957E+03  0.987556E-09 0.100000E-04    0.929926E+00
  21   -0.452924E-06    0.396341E+03  0.114276E-08 0.100000E-04    0.926594E+00
  22   -0.662471E-06    0.387479E+03  0.170969E-08 0.100000E-04    0.992837E+00
  23    0.860045E-06    0.370026E+03 -0.232428E-08 0.100000E-04    0.929975E+00
  24   -0.451304E-06    0.360567E+03  0.125165E-08 0.100000E-04    0.980086E+00
  25   -0.622146E-07    0.349351E+03  0.178086E-09 0.100000E-04    0.648037E+00
  26   -0.505845E-07    0.335293E+03  0.150867E-09 0.100000E-04    0.517937E+00
  27    0.386992E-06    0.329297E+03 -0.117520E-08 0.100000E-04    0.895290E+00
  28   -0.408822E-06    0.321832E+03  0.127030E-08 0.100000E-04    0.904756E+00
  29   -0.913879E-07    0.319121E+03  0.286374E-09 0.100000E-04    0.697418E+00
  30   -0.141798E-05    0.309403E+03  0.458295E-08 0.100000E-04    0.968113E+00
  31   -0.107745E-05    0.300822E+03  0.358169E-08 0.100000E-04    0.960619E+00
  32   -0.128254E-05    0.290601E+03  0.441343E-08 0.100000E-04    0.973613E+00
  33   -0.331586E-07    0.278983E+03  0.118855E-09 0.100000E-04    0.236400E+01
  34   -0.391560E-07    0.272732E+03  0.143569E-09 0.100000E-04    0.485297E+00
  35    0.108009E-05    0.268536E+03 -0.402215E-08 0.100000E-04    0.974530E+00
  36    0.130716E-05    0.264951E+03 -0.493360E-08 0.100000E-04    0.985015E+00
  37   -0.521068E-06    0.263831E+03  0.197501E-08 0.100000E-04    0.900466E+00
  38   -0.150493E-06    0.253221E+03  0.594315E-09 0.100000E-04    0.984207E+00
  39   -0.348808E-06    0.241571E+03  0.144391E-08 0.100000E-04    0.913202E+00
  40   -0.132376E-05    0.240771E+03  0.549799E-08 0.100000E-04    0.988167E+00
  41   -0.102987E-05    0.234006E+03  0.440102E-08 0.100000E-04    0.994931E+00
  42   -0.177581E-05    0.227517E+03  0.780518E-08 0.100000E-04    0.970117E+00
  43   -0.293569E-07    0.217128E+03  0.135205E-09 0.100000E-04    0.945415E+00
  44   -0.206555E-05    0.214891E+03  0.961207E-08 0.100000E-04    0.971925E+00
  45    0.707587E-06    0.213263E+03 -0.331791E-08 0.100000E-04    0.984610E+00
  46    0.111996E-05    0.207672E+03 -0.539290E-08 0.100000E-04    0.983856E+00
  47   -0.790174E-06    0.203002E+03  0.389244E-08 0.100000E-04    0.968997E+00
  48   -0.124997E-05    0.195440E+03  0.639568E-08 0.100000E-04    0.935694E+00
  49    0.990523E-06    0.194838E+03 -0.508382E-08 0.100000E-04    0.953512E+00
  50    0.138662E-05    0.191359E+03 -0.724619E-08 0.100000E-04    0.885934E+00
  51    0.236876E-06    0.182953E+03 -0.129473E-08 0.100000E-04    0.868166E+00
  52   -0.617368E-06    0.174352E+03  0.354094E-08 0.100000E-04    0.936132E+00
  53    0.922300E-07    0.172335E+03 -0.535178E-09 0.100000E-04    0.817214E+00
  54   -0.223257E-06    0.168213E+03  0.132723E-08 0.100000E-04    0.947753E+00
  55    0.867771E-06    0.163224E+03 -0.531643E-08 0.100000E-04    0.993680E+00
  56   -0.140385E-05    0.156876E+03  0.894880E-08 0.100000E-04    0.975011E+00
  57    0.399908E-06    0.154907E+03 -0.258160E-08 0.100000E-04    0.826289E+00
  58   -0.928728E-06    0.152257E+03  0.609975E-08 0.100000E-04    0.997787E+00
  59    0.664022E-06    0.146670E+03 -0.452731E-08 0.100000E-04    0.999188E+00
  60   -0.223582E-06    0.143351E+03  0.155968E-08 0.100000E-04    0.696912E+00
  61   -0.101737E-05    0.138089E+03  0.736753E-08 0.100000E-04    0.815529E+00
  62   -0.976472E-06    0.135873E+03  0.718664E-08 0.100000E-04    0.974921E+00
  63    0.213636E-05    0.130293E+03 -0.163965E-07 0.100000E-04    0.923096E+00
  64   -0.129714E-06    0.128838E+03  0.100680E-08 0.100000E-04    0.125152E+01
  65    0.139895E-05    0.126897E+03 -0.110243E-07 0.100000E-04    0.888124E+00
  66   -0.669972E-06    0.124083E+03  0.539939E-08 0.100000E-04    0.884209E+00
  67   -0.193090E-05    0.120010E+03  0.160895E-07 0.100000E-04    0.964437E+00
  68    0.468536E-06    0.118167E+03 -0.396505E-08 0.100000E-04    0.935060E+00
  69    0.724287E-07    0.116841E+03 -0.619890E-09 0.100000E-04    0.189242E+01
  70    0.140925E-05    0.110361E+03 -0.127695E-07 0.100000E-04    0.949176E+00
  71   -0.726992E-06    0.106828E+03  0.680529E-08 0.100000E-04    0.923273E+00
  72   -0.993556E-06    0.104452E+03  0.951213E-08 0.100000E-04    0.890708E+00
  73    0.183561E-06    0.102855E+03 -0.178466E-08 0.100000E-04    0.728405E+00
  74    0.477408E-07    0.995130E+02 -0.479745E-09 0.100000E-04    0.542279E+00
  75   -0.143772E-06    0.960920E+02  0.149619E-08 0.100000E-04    0.545240E+00
  76    0.233958E-06    0.941052E+02 -0.248613E-08 0.100000E-04    0.870062E+00
  77   -0.151911E-05    0.919719E+02  0.165171E-07 0.100000E-04    0.965097E+00
  78   -0.872242E-06    0.912296E+02  0.956095E-08 0.100000E-04    0.974985E+00
  79   -0.717190E-06    0.884233E+02  0.811087E-08 0.100000E-04    0.988555E+00
  80    0.522759E-06    0.856065E+02 -0.610652E-08 0.100000E-04    0.916207E+00
  81   -0.131022E-05    0.808341E+02  0.162088E-07 0.100000E-04    0.993899E+00
  82    0.130967E-05    0.804963E+02 -0.162700E-07 0.100000E-04    0.938673E+00
  83   -0.273697E-06    0.779585E+02  0.351080E-08 0.100000E-04    0.854351E+00
  84    0.465921E-06    0.732867E+02 -0.635752E-08 0.100000E-04    0.327738E+00
  85    0.218824E-05    0.725608E+02 -0.301574E-07 0.100000E-04    0.891244E+00
  86    0.630182E-06    0.679199E+02 -0.927831E-08 0.100000E-04    0.847379E+00
  87    0.963238E-06    0.647572E+02 -0.148746E-07 0.100000E-04    0.781950E+00
  88    0.127157E-05    0.613531E+02 -0.207255E-07 0.100000E-04    0.972542E+00
  89   -0.217061E-05    0.598386E+02  0.362744E-07 0.100000E-04    0.947136E+00
  90    0.222772E-05    0.593997E+02 -0.375038E-07 0.100000E-04    0.980002E+00
  91   -0.302388E-05    0.581366E+02  0.520133E-07 0.100000E-04    0.929811E+00
  92   -0.367335E-05    0.558761E+02  0.657409E-07 0.100000E-04    0.954153E+00
  93   -0.333919E-05    0.524467E+02  0.636684E-07 0.100000E-04    0.986120E+00
  94   -0.643142E-06    0.520326E+02  0.123604E-07 0.100000E-04    0.873623E+00
  95    0.206886E-05    0.502367E+02 -0.411823E-07 0.100000E-04    0.880746E+00
  96    0.124145E-05    0.461613E+02 -0.268937E-07 0.100000E-04    0.931080E+00
  97   -0.342468E-05    0.433365E+02  0.790253E-07 0.100000E-04    0.888511E+00
  98   -0.710728E-06    0.409155E+02  0.173706E-07 0.100000E-04    0.529579E+00
  99   -0.215485E-05    0.378683E+02  0.569037E-07 0.100000E-04    0.789332E+00
 100   -0.167145E-05    0.362105E+02  0.461592E-07 0.100000E-04    0.892690E+00
 101   -0.111671E-04    0.322712E+02  0.346038E-06 0.100000E-04    0.946497E+00
 102    0.190934E-06    0.288993E+02 -0.660688E-08 0.100000E-04    0.397950E+01
 103    0.266506E-05    0.284522E+02 -0.936680E-07 0.100000E-04    0.962964E+00
 104    0.157611E-05    0.262970E+02 -0.599348E-07 0.100000E-04    0.865101E+00
 105    0.631475E-05    0.233336E+02 -0.270629E-06 0.100000E-04    0.933607E+00
 106   -0.557415E-05    0.213253E+02  0.261387E-06 0.100000E-04    0.966788E+00
 107    0.216046E-04    0.198546E+02 -0.108814E-05 0.100000E-04    0.926050E+00
 108    0.243351E-04    0.164565E+02 -0.147875E-05 0.100000E-04    0.936796E+00
 109    0.599121E-05    0.139083E+02 -0.430766E-06 0.100000E-04    0.956243E+00
 110    0.102764E-04    0.122432E+02 -0.839357E-06 0.100000E-04    0.846786E+00
 111    0.849267E-06    0.100908E+02 -0.841627E-07 0.100000E-04    0.817468E+00
 112   -0.330098E-01    0.905214E+01  0.100000E-04 0.100000E-04    0.626672E+00
 113    0.946450E-01    0.574584E+01 -0.202760E-04 0.202760E-04    0.207778E+00
 114    0.913400E+00    0.317162E+01  0.100000E-04 0.100000E-04    0.821104E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2027595506E-04    0.2673994697    

 Beginning of optimization cycle  599.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994996399
 potential> RMS force:                                               0.0860628887   |gradient|=.9189001977    
 Eigenvalues of the Hessian matrix:
   746.64812    674.06577    630.66616    600.73994    586.37212    578.88762 
   564.93695    487.45631    460.61783    459.77618    441.66913    429.37395 
   421.90905    407.95573    396.34069    387.47789    370.02690    360.56692 
   349.34985    335.29323    329.29795    321.83199    319.12136    309.40143 
   300.82130    290.60058    278.98443    272.73251    268.53615    264.95150 
   263.83155    253.22020    241.57154    240.77142    234.00685    227.51713 
   217.12846    214.89112    213.26266    207.67263    203.00168    195.43875 
   194.83878    191.35909    182.95407    174.35223    172.33531    168.21372 
   163.22409    156.87569    154.90798    152.25657    146.66961    143.35038 
   138.08924    135.87320    130.29315    128.83835    126.89714    124.08189 
   120.01011    118.16665    116.84079    110.36122    106.82740    104.45180 
   102.85490     99.51292     96.09185     94.10496     91.97150     91.22977 
    88.42278     85.60684     80.83420     80.49698     77.95831     73.28651 
    72.56023     67.91961     64.75680     61.35267     59.83842     59.39984 
    58.13661     55.87594     52.44657     52.03227     50.23724     46.16089 
    43.33708     40.91566     37.86825     36.21025     32.27080     28.89966 
    28.45229     26.29731     23.33352     21.32554     19.85451     16.45638 
    13.90833     12.24322     10.09071      9.05362      5.74602      3.17133 
overlap for current and previous eigenvector    109 is         0.9999999896
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999749
overlap for current and previous eigenvector    112 is         0.9999999403
overlap for current and previous eigenvector    113 is         0.9999999349
overlap for current and previous eigenvector    114 is         0.9999999685
J1,K1,R1,R2,RAT=   7   7   -0.1064771491E-01     2.010637320        0.9893522851    
FOB,PFOB,DIAG,PSTEP=   -0.1767345822E-06   -0.1748725792E-06     746.6481189        0.2342113824E-09
J1,K1,R1,R2,RAT=   8   8    0.5106194068E-01     1.948941540        0.9489380593    
FOB,PFOB,DIAG,PSTEP=   -0.4032454215E-06   -0.4249438410E-06     674.0657666        0.6304178650E-09
J1,K1,R1,R2,RAT=   9   9    0.5503907205E-01     1.944951554        0.9449515538    
FOB,PFOB,DIAG,PSTEP=   -0.7181604635E-06   -0.7599897925E-06     630.6661563        0.1205064434E-08
J1,K1,R1,R2,RAT=  10  10    0.6738748286         1.326132940        0.3261251714    
FOB,PFOB,DIAG,PSTEP=   -0.1301295298E-07   -0.3990139269E-07     600.7399421        0.6642015105E-10
J1,K1,R1,R2,RAT=  11  11    0.1836712889         1.816330509        0.8163287111    
FOB,PFOB,DIAG,PSTEP=    0.1888190107E-07    0.2313026235E-07     586.3721153       -0.3944635317E-10
J1,K1,R1,R2,RAT= 109 109    0.4729547905E-01     1.952696056        0.9526960558    
FOB,PFOB,DIAG,PSTEP=    0.5707847092E-05    0.5991205212E-05     13.90832615       -0.4307657518E-06
J1,K1,R1,R2,RAT= 110 110    0.1577928500         1.842204049        0.8422040488    
FOB,PFOB,DIAG,PSTEP=    0.8654869010E-05    0.1027641659E-04     12.24321633       -0.8393572609E-06
J1,K1,R1,R2,RAT= 111 111    0.6168905014         1.383124114        0.3831094986    
FOB,PFOB,DIAG,PSTEP=    0.3253662190E-06    0.8492673547E-06     10.09070903       -0.8416268327E-07
J1,K1,R1,R2,RAT= 112 112    0.4111588870         728.7966847        0.5888411130    
FOB,PFOB,DIAG,PSTEP=   -0.3297262401E-01   -0.3300984877E-01     9.053618680        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8490360561         1625.572389        0.1509639439    
FOB,PFOB,DIAG,PSTEP=    0.9474390240E-01    0.9464498463E-01     5.746016355       -0.2027595506E-04
J1,K1,R1,R2,RAT= 114 114    0.2353578612        -57603.80166        0.7646421388    
FOB,PFOB,DIAG,PSTEP=    0.9134078887        0.9134004247         3.171332899        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03297      0.09474      0.91341 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3825466656
 Log product of positive Hessian eigenvalues =          519.0712500300
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1713328993
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000060
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=       -0.0000000150
 Unscaled step for mode   64=        0.0000000002
 Unscaled step for mode   65=       -0.0000000097
 Unscaled step for mode   66=        0.0000000048
 Unscaled step for mode   67=        0.0000000154
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=        0.0000000062
 Unscaled step for mode   72=        0.0000000109
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000029
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=        0.0000000092
 Unscaled step for mode   79=        0.0000000080
 Unscaled step for mode   80=       -0.0000000056
 Unscaled step for mode   81=        0.0000000160
 Unscaled step for mode   82=       -0.0000000151
 Unscaled step for mode   83=        0.0000000042
 Unscaled step for mode   84=       -0.0000000033
 Unscaled step for mode   85=       -0.0000000267
 Unscaled step for mode   86=       -0.0000000078
 Unscaled step for mode   87=       -0.0000000116
 Unscaled step for mode   88=       -0.0000000213
 Unscaled step for mode   89=        0.0000000341
 Unscaled step for mode   90=       -0.0000000365
 Unscaled step for mode   91=        0.0000000475
 Unscaled step for mode   92=        0.0000000621
 Unscaled step for mode   93=        0.0000000623
 Unscaled step for mode   94=        0.0000000143
 Unscaled step for mode   95=       -0.0000000362
 Unscaled step for mode   96=       -0.0000000245
 Unscaled step for mode   97=        0.0000000695
 Unscaled step for mode   98=        0.0000000111
 Unscaled step for mode   99=        0.0000000453
 Unscaled step for mode  100=        0.0000000408
 Unscaled step for mode  101=        0.0000003234
 Unscaled step for mode  102=       -0.0000000029
 Unscaled step for mode  103=        0.0000000897
 Unscaled step for mode  104=        0.0000000722
 Unscaled step for mode  105=        0.0000002497
 Unscaled step for mode  106=       -0.0000002507
 Unscaled step for mode  107=        0.0000009951
 Unscaled step for mode  108=        0.0000013695
 Unscaled step for mode  109=       -0.0000004104
 Unscaled step for mode  110=       -0.0000007069
 Unscaled step for mode  111=       -0.0000000322
 Unscaled step for mode  112=        0.0036418793
 Unscaled step for mode  113=       -0.0164841435
 Unscaled step for mode  114=        0.2674224836
 Largest modulus ratio of non-zero e/values=           235.4366894    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.126223E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.171000E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.631006E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.627211E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.431335E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.378996E-14    0.974298E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176735E-06    0.746648E+03  0.236704E-09 0.100000E-04    0.989352E+00
   8   -0.403245E-06    0.674066E+03  0.598229E-09 0.100000E-04    0.948938E+00
   9   -0.718160E-06    0.630666E+03  0.113873E-08 0.100000E-04    0.944952E+00
  10   -0.130130E-07    0.600740E+03  0.216615E-10 0.100000E-04    0.326125E+00
  11    0.188819E-07    0.586372E+03 -0.322012E-10 0.100000E-04    0.816329E+00
  12   -0.102376E-05    0.578888E+03  0.176850E-08 0.100000E-04    0.941690E+00
  13    0.538119E-07    0.564937E+03 -0.952529E-10 0.100000E-04    0.931849E+00
  14    0.428688E-06    0.487456E+03 -0.879438E-09 0.100000E-04    0.932537E+00
  15   -0.425542E-06    0.460618E+03  0.923849E-09 0.100000E-04    0.937851E+00
  16   -0.106785E-06    0.459776E+03  0.232255E-09 0.100000E-04    0.798662E+00
  17   -0.552809E-06    0.441669E+03  0.125164E-08 0.100000E-04    0.905062E+00
  18   -0.411353E-06    0.429374E+03  0.958029E-09 0.100000E-04    0.931639E+00
  19   -0.170287E-06    0.421909E+03  0.403610E-09 0.100000E-04    0.710801E+00
  20   -0.371235E-06    0.407956E+03  0.909989E-09 0.100000E-04    0.921451E+00
  21   -0.415986E-06    0.396341E+03  0.104957E-08 0.100000E-04    0.918444E+00
  22   -0.654975E-06    0.387478E+03  0.169035E-08 0.100000E-04    0.988684E+00
  23    0.793233E-06    0.370027E+03 -0.214372E-08 0.100000E-04    0.922314E+00
  24   -0.440340E-06    0.360567E+03  0.122124E-08 0.100000E-04    0.975706E+00
  25   -0.101196E-06    0.349350E+03  0.289671E-09 0.100000E-04    0.373427E+00
  26   -0.108230E-06    0.335293E+03  0.322792E-09 0.109000E-04    0.139585E+00
  27    0.341988E-06    0.329298E+03 -0.103854E-08 0.100000E-04    0.883704E+00
  28   -0.364844E-06    0.321832E+03  0.113365E-08 0.100000E-04    0.892428E+00
  29   -0.186121E-07    0.319121E+03  0.583230E-10 0.100000E-04    0.203658E+00
  30   -0.135868E-05    0.309401E+03  0.439132E-08 0.100000E-04    0.958183E+00
  31   -0.102755E-05    0.300821E+03  0.341581E-08 0.100000E-04    0.953684E+00
  32   -0.124008E-05    0.290601E+03  0.426730E-08 0.100000E-04    0.966890E+00
  33    0.160523E-07    0.278984E+03 -0.575382E-10 0.100000E-04    0.484098E+00
  34   -0.903263E-07    0.272733E+03  0.331190E-09 0.100000E-04    0.306831E+00
  35    0.104428E-05    0.268536E+03 -0.388879E-08 0.100000E-04    0.966842E+00
  36    0.128198E-05    0.264952E+03 -0.483853E-08 0.100000E-04    0.980729E+00
  37   -0.465517E-06    0.263832E+03  0.176445E-08 0.100000E-04    0.893386E+00
  38   -0.152998E-06    0.253220E+03  0.604209E-09 0.100000E-04    0.983354E+00
  39   -0.391122E-06    0.241572E+03  0.161907E-08 0.100000E-04    0.878689E+00
  40   -0.130290E-05    0.240771E+03  0.541135E-08 0.100000E-04    0.984240E+00
  41   -0.103648E-05    0.234007E+03  0.442928E-08 0.100000E-04    0.993576E+00
  42   -0.170723E-05    0.227517E+03  0.750374E-08 0.100000E-04    0.961379E+00
  43   -0.257454E-07    0.217128E+03  0.118572E-09 0.100000E-04    0.876974E+00
  44   -0.199553E-05    0.214891E+03  0.928624E-08 0.100000E-04    0.966101E+00
  45    0.718176E-06    0.213263E+03 -0.336756E-08 0.100000E-04    0.985035E+00
  46    0.110011E-05    0.207673E+03 -0.529732E-08 0.100000E-04    0.982275E+00
  47   -0.762088E-06    0.203002E+03  0.375410E-08 0.100000E-04    0.964456E+00
  48   -0.115520E-05    0.195439E+03  0.591080E-08 0.100000E-04    0.924182E+00
  49    0.938940E-06    0.194839E+03 -0.481906E-08 0.100000E-04    0.947920E+00
  50    0.121498E-05    0.191359E+03 -0.634920E-08 0.100000E-04    0.876210E+00
  51    0.203179E-06    0.182954E+03 -0.111054E-08 0.100000E-04    0.857737E+00
  52   -0.570976E-06    0.174352E+03  0.327484E-08 0.100000E-04    0.924848E+00
  53    0.117696E-06    0.172335E+03 -0.682948E-09 0.100000E-04    0.723885E+00
  54   -0.236850E-06    0.168214E+03  0.140803E-08 0.100000E-04    0.939115E+00
  55    0.869045E-06    0.163224E+03 -0.532424E-08 0.100000E-04    0.998532E+00
  56    0.136232E-05    0.156876E+03 -0.868405E-08 0.100000E-04    0.970413E+00
  57   -0.331978E-06    0.154908E+03  0.214306E-08 0.100000E-04    0.830128E+00
  58    0.927348E-06    0.152257E+03 -0.609069E-08 0.100000E-04    0.998515E+00
  59   -0.660703E-06    0.146670E+03  0.450471E-08 0.100000E-04    0.995003E+00
  60    0.163851E-06    0.143350E+03 -0.114301E-08 0.100000E-04    0.732845E+00
  61   -0.829012E-06    0.138089E+03  0.600345E-08 0.100000E-04    0.814849E+00
  62   -0.945200E-06    0.135873E+03  0.695649E-08 0.100000E-04    0.967974E+00
  63    0.195023E-05    0.130293E+03 -0.149680E-07 0.100000E-04    0.912876E+00
  64   -0.207514E-07    0.128838E+03  0.161065E-09 0.109000E-04    0.159976E+00
  65    0.123321E-05    0.126897E+03 -0.971818E-08 0.100000E-04    0.881520E+00
  66   -0.589665E-06    0.124082E+03  0.475222E-08 0.100000E-04    0.880133E+00
  67   -0.184883E-05    0.120010E+03  0.154056E-07 0.100000E-04    0.957492E+00
  68    0.434256E-06    0.118167E+03 -0.367495E-08 0.100000E-04    0.926833E+00
  69    0.130865E-07    0.116841E+03 -0.112003E-09 0.109000E-04    0.180679E+00
  70    0.132650E-05    0.110361E+03 -0.120197E-07 0.100000E-04    0.941279E+00
  71   -0.665438E-06    0.106827E+03  0.622909E-08 0.100000E-04    0.915330E+00
  72   -0.113866E-05    0.104452E+03  0.109013E-07 0.100000E-04    0.853959E+00
  73    0.136569E-06    0.102855E+03 -0.132778E-08 0.100000E-04    0.743997E+00
  74    0.929550E-07    0.995129E+02 -0.934099E-09 0.109000E-04    0.529241E-01
  75   -0.282530E-06    0.960919E+02  0.294020E-08 0.109000E-04    0.348759E-01
  76    0.200226E-06    0.941050E+02 -0.212769E-08 0.100000E-04    0.855821E+00
  77   -0.158062E-05    0.919715E+02  0.171860E-07 0.100000E-04    0.959508E+00
  78   -0.842342E-06    0.912298E+02  0.923320E-08 0.100000E-04    0.965717E+00
  79   -0.704063E-06    0.884228E+02  0.796246E-08 0.100000E-04    0.981696E+00
  80    0.476257E-06    0.856068E+02 -0.556331E-08 0.100000E-04    0.911040E+00
  81   -0.129652E-05    0.808342E+02  0.160393E-07 0.100000E-04    0.989541E+00
  82    0.121799E-05    0.804970E+02 -0.151309E-07 0.100000E-04    0.929978E+00
  83   -0.328121E-06    0.779583E+02  0.420893E-08 0.100000E-04    0.801149E+00
  84    0.243044E-06    0.732865E+02 -0.331635E-08 0.100000E-04    0.521641E+00
  85    0.193875E-05    0.725602E+02 -0.267192E-07 0.100000E-04    0.885985E+00
  86    0.528679E-06    0.679196E+02 -0.778389E-08 0.100000E-04    0.838929E+00
  87    0.752172E-06    0.647568E+02 -0.116153E-07 0.100000E-04    0.780877E+00
  88    0.130564E-05    0.613527E+02 -0.212808E-07 0.100000E-04    0.973211E+00
  89   -0.204275E-05    0.598384E+02  0.341377E-07 0.100000E-04    0.941092E+00
  90    0.217007E-05    0.593998E+02 -0.365332E-07 0.100000E-04    0.974117E+00
  91   -0.276108E-05    0.581366E+02  0.474930E-07 0.100000E-04    0.913094E+00
  92   -0.346858E-05    0.558759E+02  0.620764E-07 0.100000E-04    0.944256E+00
  93   -0.327004E-05    0.524466E+02  0.623500E-07 0.100000E-04    0.979291E+00
  94   -0.745500E-06    0.520323E+02  0.143276E-07 0.100000E-04    0.840847E+00
  95    0.181612E-05    0.502372E+02 -0.361508E-07 0.100000E-04    0.877814E+00
  96    0.113078E-05    0.461609E+02 -0.244965E-07 0.100000E-04    0.910854E+00
  97   -0.301120E-05    0.433371E+02  0.694832E-07 0.100000E-04    0.879240E+00
  98   -0.452232E-06    0.409157E+02  0.110528E-07 0.100000E-04    0.636289E+00
  99   -0.171399E-05    0.378683E+02  0.452619E-07 0.100000E-04    0.795411E+00
 100   -0.147755E-05    0.362102E+02  0.408048E-07 0.100000E-04    0.883994E+00
 101   -0.104370E-04    0.322708E+02  0.323419E-06 0.100000E-04    0.934622E+00
 102    0.839174E-07    0.288997E+02 -0.290375E-08 0.100000E-04    0.439493E+00
 103   -0.255310E-05    0.284523E+02  0.897325E-07 0.100000E-04    0.957983E+00
 104   -0.189808E-05    0.262973E+02  0.721778E-07 0.100000E-04    0.795718E+00
 105   -0.582582E-05    0.233335E+02  0.249676E-06 0.100000E-04    0.922573E+00
 106    0.534560E-05    0.213255E+02 -0.250667E-06 0.100000E-04    0.958976E+00
 107   -0.197573E-04    0.198545E+02  0.995103E-06 0.100000E-04    0.914495E+00
 108   -0.225366E-04    0.164564E+02  0.136948E-05 0.100000E-04    0.926095E+00
 109    0.570785E-05    0.139083E+02 -0.410391E-06 0.100000E-04    0.952696E+00
 110    0.865487E-05    0.122432E+02 -0.706911E-06 0.100000E-04    0.842204E+00
 111    0.325366E-06    0.100907E+02 -0.322441E-07 0.100000E-04    0.383109E+00
 112   -0.329726E-01    0.905362E+01  0.100000E-04 0.100000E-04    0.588841E+00
 113    0.947439E-01    0.574602E+01 -0.221008E-04 0.221008E-04    0.150964E+00
 114    0.913408E+00    0.317133E+01  0.100000E-04 0.100000E-04    0.764642E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2210079102E-04    0.2674224836    

 Beginning of optimization cycle  600.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994929275
 potential> RMS force:                                               0.0860643108   |gradient|=.9189153809    
 Eigenvalues of the Hessian matrix:
   746.65209    674.06439    630.66921    600.73763    586.37152    578.88788 
   564.93284    487.45593    460.61647    459.77562    441.66851    429.37529 
   421.90842    407.95404    396.34010    387.47642    370.02739    360.56710 
   349.34912    335.29389    329.29886    321.83173    319.12205    309.40024 
   300.82072    290.60065    278.98595    272.73298    268.53640    264.95184 
   263.83222    253.21960    241.57184    240.77186    234.00767    227.51747 
   217.12919    214.89127    213.26237    207.67314    203.00126    195.43792 
   194.83916    191.35957    182.95482    174.35298    172.33555    168.21400 
   163.22375    156.87546    154.90850    152.25638    146.66899    143.34996 
   138.08978    135.87320    130.29287    128.83857    126.89734    124.08074 
   120.01030    118.16678    116.84035    110.36147    106.82722    104.45204 
   102.85497     99.51285     96.09165     94.10473     91.97108     91.22999 
    88.42226     85.60716     80.83428     80.49769     77.95809     73.28629 
    72.55963     67.91931     64.75633     61.35220     59.83818     59.39994 
    58.13655     55.87571     52.44646     52.03188     50.23785     46.16045 
    43.33766     40.91577     37.86820     36.20989     32.27041     28.90000 
    28.45235     26.29758     23.33342     21.32577     19.85441     16.45627 
    13.90839     12.24324     10.09064      9.05518      5.74621      3.17103 
overlap for current and previous eigenvector    109 is         0.9999999882
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999704
overlap for current and previous eigenvector    112 is         0.9999999322
overlap for current and previous eigenvector    113 is         0.9999999279
overlap for current and previous eigenvector    114 is         0.9999999647
J1,K1,R1,R2,RAT=   7   7    0.3513280733E-02     1.996476092        0.9964760917    
FOB,PFOB,DIAG,PSTEP=   -0.1761136607E-06   -0.1767345822E-06     746.6520865        0.2367039811E-09
J1,K1,R1,R2,RAT=   8   8   -0.4414030965E-01     2.044144394        0.9558596904    
FOB,PFOB,DIAG,PSTEP=   -0.4210447629E-06   -0.4032454215E-06     674.0643901        0.5982286025E-09
J1,K1,R1,R2,RAT=   9   9   -0.4708968936E-01     2.047080008        0.9529103106    
FOB,PFOB,DIAG,PSTEP=   -0.7519785803E-06   -0.7181604635E-06     630.6692093        0.1138733157E-08
J1,K1,R1,R2,RAT=  10  10    -1.757653994         3.757661705        0.7576539945    
FOB,PFOB,DIAG,PSTEP=   -0.3588513358E-07   -0.1301295298E-07     600.7376260        0.2166154115E-10
J1,K1,R1,R2,RAT=  11  11   -0.1324340932         2.132436115        0.8675659068    
FOB,PFOB,DIAG,PSTEP=    0.2138250599E-07    0.1888190107E-07     586.3715224       -0.3220122611E-10
J1,K1,R1,R2,RAT= 109 109   -0.4305248441E-01     2.043043839        0.9569475156    
FOB,PFOB,DIAG,PSTEP=    0.5953585153E-05    0.5707847092E-05     13.90838627       -0.4103906560E-06
J1,K1,R1,R2,RAT= 110 110   -0.1549516229         2.154948530        0.8450483771    
FOB,PFOB,DIAG,PSTEP=    0.9995957082E-05    0.8654869010E-05     12.24323526       -0.7069113850E-06
J1,K1,R1,R2,RAT= 111 111    -1.662235205         3.662249386        0.6622352049    
FOB,PFOB,DIAG,PSTEP=    0.8661975679E-06    0.3253662190E-06     10.09063748       -0.3224413844E-07
J1,K1,R1,R2,RAT= 112 112    0.3805991588         727.8792902        0.6194008412    
FOB,PFOB,DIAG,PSTEP=   -0.3293816007E-01   -0.3297262401E-01     9.055180573        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7965228693         1492.876145        0.2034771307    
FOB,PFOB,DIAG,PSTEP=    0.9484505744E-01    0.9474390240E-01     5.746209390       -0.2210079102E-04
J1,K1,R1,R2,RAT= 114 114    0.1898398742        -57609.65769        0.8101601258    
FOB,PFOB,DIAG,PSTEP=    0.9134139086        0.9134078887         3.171033939        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03294      0.09485      0.91341 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3825260510
 Log product of positive Hessian eigenvalues =          519.0713304618
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1710339388
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000071
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000071
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=       -0.0000000161
 Unscaled step for mode   64=        0.0000000008
 Unscaled step for mode   65=       -0.0000000108
 Unscaled step for mode   66=        0.0000000053
 Unscaled step for mode   67=        0.0000000159
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000126
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=        0.0000000098
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000017
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=       -0.0000000166
 Unscaled step for mode   78=       -0.0000000095
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=       -0.0000000060
 Unscaled step for mode   81=        0.0000000161
 Unscaled step for mode   82=       -0.0000000161
 Unscaled step for mode   83=        0.0000000036
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000296
 Unscaled step for mode   86=       -0.0000000090
 Unscaled step for mode   87=       -0.0000000142
 Unscaled step for mode   88=       -0.0000000207
 Unscaled step for mode   89=        0.0000000359
 Unscaled step for mode   90=       -0.0000000373
 Unscaled step for mode   91=        0.0000000508
 Unscaled step for mode   92=        0.0000000649
 Unscaled step for mode   93=        0.0000000632
 Unscaled step for mode   94=        0.0000000126
 Unscaled step for mode   95=       -0.0000000405
 Unscaled step for mode   96=       -0.0000000262
 Unscaled step for mode   97=        0.0000000773
 Unscaled step for mode   98=        0.0000000165
 Unscaled step for mode   99=        0.0000000550
 Unscaled step for mode  100=        0.0000000452
 Unscaled step for mode  101=        0.0000003407
 Unscaled step for mode  102=        0.0000000047
 Unscaled step for mode  103=        0.0000000930
 Unscaled step for mode  104=        0.0000000630
 Unscaled step for mode  105=        0.0000002662
 Unscaled step for mode  106=       -0.0000002589
 Unscaled step for mode  107=        0.0000010687
 Unscaled step for mode  108=        0.0000014558
 Unscaled step for mode  109=       -0.0000004281
 Unscaled step for mode  110=       -0.0000008164
 Unscaled step for mode  111=       -0.0000000858
 Unscaled step for mode  112=        0.0036374453
 Unscaled step for mode  113=       -0.0165011794
 Unscaled step for mode  114=        0.2674458573
 Largest modulus ratio of non-zero e/values=           235.4601373    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.681096E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.256999E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.273280E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.289454E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.146649E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.517781E-14    0.974299E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176114E-06    0.746652E+03  0.235871E-09 0.100000E-04    0.996476E+00
   8   -0.421045E-06    0.674064E+03  0.624636E-09 0.100000E-04    0.955860E+00
   9   -0.751979E-06    0.630669E+03  0.119235E-08 0.100000E-04    0.952910E+00
  10   -0.358851E-07    0.600738E+03  0.597351E-10 0.100000E-04    0.757654E+00
  11    0.213825E-07    0.586372E+03 -0.364658E-10 0.100000E-04    0.867566E+00
  12   -0.107604E-05    0.578888E+03  0.185880E-08 0.100000E-04    0.948937E+00
  13    0.507306E-07    0.564933E+03 -0.897993E-10 0.100000E-04    0.942739E+00
  14    0.455047E-06    0.487456E+03 -0.933515E-09 0.100000E-04    0.938511E+00
  15   -0.448397E-06    0.460616E+03  0.973473E-09 0.100000E-04    0.946289E+00
  16   -0.128992E-06    0.459776E+03  0.280554E-09 0.100000E-04    0.792046E+00
  17   -0.601379E-06    0.441669E+03  0.136161E-08 0.100000E-04    0.912139E+00
  18   -0.435571E-06    0.429375E+03  0.101443E-08 0.100000E-04    0.941127E+00
  19   -0.138239E-06    0.421908E+03  0.327653E-09 0.100000E-04    0.811803E+00
  20   -0.397123E-06    0.407954E+03  0.973451E-09 0.100000E-04    0.930264E+00
  21   -0.446405E-06    0.396340E+03  0.112632E-08 0.100000E-04    0.926875E+00
  22   -0.659554E-06    0.387476E+03  0.170218E-08 0.100000E-04    0.993009E+00
  23    0.848482E-06    0.370027E+03 -0.229302E-08 0.100000E-04    0.930350E+00
  24   -0.448949E-06    0.360567E+03  0.124512E-08 0.100000E-04    0.980450E+00
  25   -0.679796E-07    0.349349E+03  0.194589E-09 0.100000E-04    0.671758E+00
  26   -0.619115E-07    0.335294E+03  0.184648E-09 0.100000E-04    0.572034E+00
  27    0.378010E-06    0.329299E+03 -0.114793E-08 0.100000E-04    0.894668E+00
  28   -0.399765E-06    0.321832E+03  0.124216E-08 0.100000E-04    0.904285E+00
  29   -0.751672E-07    0.319122E+03  0.235544E-09 0.100000E-04    0.203861E+01
  30   -0.140169E-05    0.309400E+03  0.453035E-08 0.100000E-04    0.968344E+00
  31   -0.106761E-05    0.300821E+03  0.354898E-08 0.100000E-04    0.961016E+00
  32   -0.127242E-05    0.290601E+03  0.437857E-08 0.100000E-04    0.973923E+00
  33   -0.240408E-07    0.278986E+03  0.861721E-10 0.100000E-04    0.502343E+00
  34   -0.494659E-07    0.272733E+03  0.181371E-09 0.100000E-04    0.547633E+00
  35    0.107058E-05    0.268536E+03 -0.398673E-08 0.100000E-04    0.974814E+00
  36    0.130083E-05    0.264952E+03 -0.490969E-08 0.100000E-04    0.985292E+00
  37   -0.511848E-06    0.263832E+03  0.194005E-08 0.100000E-04    0.900474E+00
  38   -0.150586E-06    0.253220E+03  0.594686E-09 0.100000E-04    0.984237E+00
  39   -0.358520E-06    0.241572E+03  0.148411E-08 0.100000E-04    0.916641E+00
  40   -0.131803E-05    0.240772E+03  0.547419E-08 0.100000E-04    0.988386E+00
  41   -0.103125E-05    0.234008E+03  0.440689E-08 0.100000E-04    0.994940E+00
  42   -0.175775E-05    0.227517E+03  0.772577E-08 0.100000E-04    0.970409E+00
  43   -0.272180E-07    0.217129E+03  0.125354E-09 0.100000E-04    0.942801E+00
  44   -0.205080E-05    0.214891E+03  0.954344E-08 0.100000E-04    0.972303E+00
  45    0.707256E-06    0.213262E+03 -0.331637E-08 0.100000E-04    0.984796E+00
  46    0.111752E-05    0.207673E+03 -0.538115E-08 0.100000E-04    0.984173E+00
  47   -0.785376E-06    0.203001E+03  0.386882E-08 0.100000E-04    0.969442E+00
  48   -0.122940E-05    0.195438E+03  0.629047E-08 0.100000E-04    0.935772E+00
  49    0.982167E-06    0.194839E+03 -0.504091E-08 0.100000E-04    0.953963E+00
  50    0.135437E-05    0.191360E+03 -0.707760E-08 0.100000E-04    0.885275E+00
  51    0.230289E-06    0.182955E+03 -0.125872E-08 0.100000E-04    0.866567E+00
  52   -0.607389E-06    0.174353E+03  0.348367E-08 0.100000E-04    0.936227E+00
  53    0.974512E-07    0.172336E+03 -0.565473E-09 0.100000E-04    0.827987E+00
  54   -0.224748E-06    0.168214E+03  0.133608E-08 0.100000E-04    0.948899E+00
  55    0.863509E-06    0.163224E+03 -0.529034E-08 0.100000E-04    0.993630E+00
  56    0.139585E-05    0.156875E+03 -0.889783E-08 0.100000E-04    0.975383E+00
  57   -0.390099E-06    0.154909E+03  0.251825E-08 0.100000E-04    0.824925E+00
  58    0.925273E-06    0.152256E+03 -0.607707E-08 0.100000E-04    0.997762E+00
  59   -0.661159E-06    0.146669E+03  0.450783E-08 0.100000E-04    0.999310E+00
  60    0.214942E-06    0.143350E+03 -0.149942E-08 0.100000E-04    0.688185E+00
  61   -0.984679E-06    0.138090E+03  0.713072E-08 0.100000E-04    0.812226E+00
  62   -0.968636E-06    0.135873E+03  0.712897E-08 0.100000E-04    0.975206E+00
  63    0.210013E-05    0.130293E+03 -0.161185E-07 0.100000E-04    0.923138E+00
  64   -0.109112E-06    0.128839E+03  0.846887E-09 0.100000E-04    0.325804E+01
  65    0.137142E-05    0.126897E+03 -0.108073E-07 0.100000E-04    0.887930E+00
  66   -0.658028E-06    0.124081E+03  0.530323E-08 0.100000E-04    0.884063E+00
  67   -0.191385E-05    0.120010E+03  0.159474E-07 0.100000E-04    0.964828E+00
  68    0.462283E-06    0.118167E+03 -0.391212E-08 0.100000E-04    0.935460E+00
  69    0.659503E-07    0.116840E+03 -0.564448E-09 0.100000E-04    0.303957E+01
  70    0.139336E-05    0.110361E+03 -0.126254E-07 0.100000E-04    0.949601E+00
  71   -0.716410E-06    0.106827E+03  0.670625E-08 0.100000E-04    0.923400E+00
  72   -0.101875E-05    0.104452E+03  0.975328E-08 0.100000E-04    0.894690E+00
  73    0.174989E-06    0.102855E+03 -0.170132E-08 0.100000E-04    0.718676E+00
  74    0.533772E-07    0.995129E+02 -0.536385E-09 0.100000E-04    0.574226E+00
  75   -0.164643E-06    0.960916E+02  0.171340E-08 0.100000E-04    0.582746E+00
  76    0.226523E-06    0.941047E+02 -0.240714E-08 0.100000E-04    0.868664E+00
  77    0.152656E-05    0.919711E+02 -0.165982E-07 0.100000E-04    0.965795E+00
  78    0.863183E-06    0.912300E+02 -0.946162E-08 0.100000E-04    0.975259E+00
  79   -0.712044E-06    0.884223E+02  0.805276E-08 0.100000E-04    0.988665E+00
  80    0.516045E-06    0.856072E+02 -0.602806E-08 0.100000E-04    0.916457E+00
  81   -0.130423E-05    0.808343E+02  0.161346E-07 0.100000E-04    0.994055E+00
  82    0.129234E-05    0.804977E+02 -0.160543E-07 0.100000E-04    0.938960E+00
  83   -0.282105E-06    0.779581E+02  0.361867E-08 0.100000E-04    0.859757E+00
  84    0.426972E-06    0.732863E+02 -0.582608E-08 0.100000E-04    0.243231E+00
  85    0.214969E-05    0.725596E+02 -0.296265E-07 0.100000E-04    0.891201E+00
  86    0.610577E-06    0.679193E+02 -0.898974E-08 0.100000E-04    0.845088E+00
  87    0.921682E-06    0.647563E+02 -0.142331E-07 0.100000E-04    0.774637E+00
  88    0.127004E-05    0.613522E+02 -0.207008E-07 0.100000E-04    0.972736E+00
  89   -0.214954E-05    0.598382E+02  0.359226E-07 0.100000E-04    0.947719E+00
  90    0.221302E-05    0.593999E+02 -0.372563E-07 0.100000E-04    0.980206E+00
  91   -0.295562E-05    0.581366E+02  0.508393E-07 0.100000E-04    0.929543E+00
  92   -0.362680E-05    0.558757E+02  0.649083E-07 0.100000E-04    0.954384E+00
  93   -0.331482E-05    0.524465E+02  0.632039E-07 0.100000E-04    0.986307E+00
  94   -0.653889E-06    0.520319E+02  0.125671E-07 0.100000E-04    0.877114E+00
  95    0.203272E-05    0.502378E+02 -0.404620E-07 0.100000E-04    0.880733E+00
  96    0.120924E-05    0.461605E+02 -0.261965E-07 0.100000E-04    0.930610E+00
  97   -0.334833E-05    0.433377E+02  0.772615E-07 0.100000E-04    0.888042E+00
  98   -0.675715E-06    0.409158E+02  0.165148E-07 0.100000E-04    0.505823E+00
  99   -0.208239E-05    0.378682E+02  0.549905E-07 0.100000E-04    0.785060E+00
 100   -0.163660E-05    0.362099E+02  0.451976E-07 0.100000E-04    0.892356E+00
 101   -0.109938E-04    0.322704E+02  0.340678E-06 0.100000E-04    0.946647E+00
 102   -0.135329E-06    0.289000E+02  0.468266E-08 0.100000E-04    0.387363E+00
 103   -0.264647E-05    0.284523E+02  0.930141E-07 0.100000E-04    0.963427E+00
 104   -0.165559E-05    0.262976E+02  0.629562E-07 0.100000E-04    0.872227E+00
 105   -0.621217E-05    0.233334E+02  0.266235E-06 0.100000E-04    0.933683E+00
 106    0.552077E-05    0.213258E+02 -0.258878E-06 0.100000E-04    0.967233E+00
 107   -0.212190E-04    0.198544E+02  0.106873E-05 0.100000E-04    0.926015E+00
 108   -0.239578E-04    0.164563E+02  0.145585E-05 0.100000E-04    0.936939E+00
 109    0.595359E-05    0.139084E+02 -0.428057E-06 0.100000E-04    0.956948E+00
 110    0.999596E-05    0.122432E+02 -0.816447E-06 0.100000E-04    0.845048E+00
 111    0.866198E-06    0.100906E+02 -0.858417E-07 0.100000E-04    0.662235E+00
 112   -0.329382E-01    0.905518E+01  0.100000E-04 0.100000E-04    0.619401E+00
 113    0.948451E-01    0.574621E+01 -0.199106E-04 0.199106E-04    0.203477E+00
 114    0.913414E+00    0.317103E+01  0.100000E-04 0.100000E-04    0.810160E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1991062254E-04    0.2674458573    

 Beginning of optimization cycle  601.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994860095
 potential> RMS force:                                               0.0860658531   |gradient|=.9189318480    
 Eigenvalues of the Hessian matrix:
   746.65593    674.06324    630.67214    600.73530    586.37101    578.88812 
   564.92901    487.45567    460.61517    459.77508    441.66795    429.37646 
   421.90782    407.95246    396.33956    387.47500    370.02786    360.56724 
   349.34834    335.29449    329.29971    321.83154    319.12260    309.39911 
   300.82008    290.60070    278.98733    272.73341    268.53658    264.95216 
   263.83279    253.21896    241.57205    240.77228    234.00839    227.51773 
   217.12984    214.89141    213.26208    207.67360    203.00085    195.43712 
   194.83949    191.36003    182.95550    174.35368    172.33577    168.21426 
   163.22344    156.87523    154.90900    152.25621    146.66840    143.34960 
   138.09028    135.87320    130.29264    128.83877    126.89755    124.07968 
   120.01048    118.16692    116.83996    110.36170    106.82707    104.45228 
   102.85505     99.51279     96.09147     94.10453     91.97067     91.23019 
    88.42176     85.60744     80.83435     80.49834     77.95788     73.28612 
    72.55911     67.91905     64.75589     61.35172     59.83795     59.40006 
    58.13652     55.87551     52.44637     52.03153     50.23842     46.16005 
    43.33820     40.91589     37.86818     36.20961     32.27004     28.90033 
    28.45240     26.29784     23.33332     21.32602     19.85430     16.45618 
    13.90845     12.24325     10.09056      9.05664      5.74638      3.17075 
overlap for current and previous eigenvector    109 is         0.9999999898
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999753
overlap for current and previous eigenvector    112 is         0.9999999416
overlap for current and previous eigenvector    113 is         0.9999999366
overlap for current and previous eigenvector    114 is         0.9999999694
J1,K1,R1,R2,RAT=   7   7   -0.1049744859E-01     2.010487149        0.9895025514    
FOB,PFOB,DIAG,PSTEP=   -0.1779624143E-06   -0.1761136607E-06     746.6559316        0.2358711158E-09
J1,K1,R1,R2,RAT=   8   8    0.5059964221E-01     1.949403760        0.9494003578    
FOB,PFOB,DIAG,PSTEP=   -0.3997400848E-06   -0.4210447629E-06     674.0632434        0.6246358198E-09
J1,K1,R1,R2,RAT=   9   9    0.5455687527E-01     1.945433841        0.9454338414    
FOB,PFOB,DIAG,PSTEP=   -0.7109527883E-06   -0.7519785803E-06     630.6721367        0.1192350236E-08
J1,K1,R1,R2,RAT=  10  10    0.7369986369         1.263009110        0.2630013631    
FOB,PFOB,DIAG,PSTEP=   -0.9437941482E-08   -0.3588513358E-07     600.7352992        0.5973511900E-10
J1,K1,R1,R2,RAT=  11  11    0.1935008348         1.806500915        0.8064991652    
FOB,PFOB,DIAG,PSTEP=    0.1724497685E-07    0.2138250599E-07     586.3710095       -0.3646579885E-10
J1,K1,R1,R2,RAT= 109 109    0.4657010056E-01     1.953421426        0.9534214257    
FOB,PFOB,DIAG,PSTEP=    0.5676324919E-05    0.5953585153E-05     13.90844520       -0.4280572192E-06
J1,K1,R1,R2,RAT= 110 110    0.1593534217         1.840643379        0.8406433790    
FOB,PFOB,DIAG,PSTEP=    0.8403064570E-05    0.9995957082E-05     12.24325484       -0.8164473583E-06
J1,K1,R1,R2,RAT= 111 111    0.5982528416         1.401761667        0.4017471584    
FOB,PFOB,DIAG,PSTEP=    0.3479961708E-06    0.8661975679E-06     10.09056428       -0.8584170913E-07
J1,K1,R1,R2,RAT= 112 112    0.4177070236         726.9634786        0.5822929764    
FOB,PFOB,DIAG,PSTEP=   -0.3290032984E-01   -0.3293816007E-01     9.056643400        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8539350835         1658.780998        0.1460649165    
FOB,PFOB,DIAG,PSTEP=    0.9494275959E-01    0.9484505744E-01     5.746381294       -0.1991062254E-04
J1,K1,R1,R2,RAT= 114 114    0.2453602874        -57615.32104        0.7546397126    
FOB,PFOB,DIAG,PSTEP=    0.9134216883        0.9134139086         3.170746190        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03290      0.09494      0.91342 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3825038200
 Log product of positive Hessian eigenvalues =          519.0714047405
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1707461901
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000004
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000000
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000004
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000032
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000058
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=       -0.0000000147
 Unscaled step for mode   64=        0.0000000000
 Unscaled step for mode   65=       -0.0000000095
 Unscaled step for mode   66=        0.0000000047
 Unscaled step for mode   67=        0.0000000153
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000119
 Unscaled step for mode   71=        0.0000000061
 Unscaled step for mode   72=        0.0000000111
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000010
 Unscaled step for mode   75=        0.0000000031
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=       -0.0000000173
 Unscaled step for mode   78=        0.0000000091
 Unscaled step for mode   79=        0.0000000079
 Unscaled step for mode   80=       -0.0000000055
 Unscaled step for mode   81=        0.0000000160
 Unscaled step for mode   82=       -0.0000000149
 Unscaled step for mode   83=        0.0000000043
 Unscaled step for mode   84=       -0.0000000028
 Unscaled step for mode   85=       -0.0000000262
 Unscaled step for mode   86=       -0.0000000075
 Unscaled step for mode   87=       -0.0000000110
 Unscaled step for mode   88=       -0.0000000213
 Unscaled step for mode   89=        0.0000000338
 Unscaled step for mode   90=       -0.0000000363
 Unscaled step for mode   91=        0.0000000464
 Unscaled step for mode   92=        0.0000000613
 Unscaled step for mode   93=        0.0000000619
 Unscaled step for mode   94=        0.0000000145
 Unscaled step for mode   95=       -0.0000000355
 Unscaled step for mode   96=       -0.0000000238
 Unscaled step for mode   97=        0.0000000679
 Unscaled step for mode   98=        0.0000000103
 Unscaled step for mode   99=        0.0000000435
 Unscaled step for mode  100=        0.0000000399
 Unscaled step for mode  101=        0.0000003185
 Unscaled step for mode  102=       -0.0000000047
 Unscaled step for mode  103=        0.0000000892
 Unscaled step for mode  104=        0.0000000750
 Unscaled step for mode  105=        0.0000002456
 Unscaled step for mode  106=       -0.0000002484
 Unscaled step for mode  107=        0.0000009773
 Unscaled step for mode  108=        0.0000013485
 Unscaled step for mode  109=       -0.0000004081
 Unscaled step for mode  110=       -0.0000006863
 Unscaled step for mode  111=       -0.0000000345
 Unscaled step for mode  112=        0.0036326809
 Unscaled step for mode  113=       -0.0165176745
 Unscaled step for mode  114=        0.2674688615
 Largest modulus ratio of non-zero e/values=           235.4827182    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.148427E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.178986E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.328296E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.222221E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.294248E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.332843E-14    0.974299E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177962E-06    0.746656E+03  0.238346E-09 0.100000E-04    0.989503E+00
   8   -0.399740E-06    0.674063E+03  0.593031E-09 0.100000E-04    0.949400E+00
   9   -0.710953E-06    0.630672E+03  0.112729E-08 0.100000E-04    0.945434E+00
  10   -0.943794E-08    0.600735E+03  0.157106E-10 0.100000E-04    0.263001E+00
  11    0.172450E-07    0.586371E+03 -0.294097E-10 0.100000E-04    0.806499E+00
  12   -0.101384E-05    0.578888E+03  0.175137E-08 0.100000E-04    0.942200E+00
  13    0.541177E-07    0.564929E+03 -0.957956E-10 0.100000E-04    0.933232E+00
  14    0.424613E-06    0.487456E+03 -0.871080E-09 0.100000E-04    0.933119E+00
  15   -0.420713E-06    0.460615E+03  0.913372E-09 0.100000E-04    0.938259E+00
  16   -0.102540E-06    0.459775E+03  0.223021E-09 0.100000E-04    0.794931E+00
  17   -0.544429E-06    0.441668E+03  0.123267E-08 0.100000E-04    0.905300E+00
  18   -0.405947E-06    0.429376E+03  0.945434E-09 0.100000E-04    0.931984E+00
  19   -0.175816E-06    0.421908E+03  0.416716E-09 0.100000E-04    0.728179E+00
  20   -0.366071E-06    0.407952E+03  0.897338E-09 0.100000E-04    0.921807E+00
  21   -0.410130E-06    0.396340E+03  0.103479E-08 0.100000E-04    0.918740E+00
  22   -0.652256E-06    0.387475E+03  0.168335E-08 0.100000E-04    0.988934E+00
  23    0.782907E-06    0.370028E+03 -0.211581E-08 0.100000E-04    0.922713E+00
  24   -0.438238E-06    0.360567E+03  0.121541E-08 0.100000E-04    0.976142E+00
  25   -0.106308E-06    0.349348E+03  0.304303E-09 0.100000E-04    0.436178E+00
  26   -0.118628E-06    0.335294E+03  0.353804E-09 0.109000E-04    0.839046E-01
  27    0.333808E-06    0.329300E+03 -0.101369E-08 0.100000E-04    0.883062E+00
  28   -0.356559E-06    0.321832E+03  0.110791E-08 0.100000E-04    0.891922E+00
  29   -0.358374E-08    0.319123E+03  0.112300E-10 0.109000E-04    0.476751E-01
  30   -0.134349E-05    0.309399E+03  0.434226E-08 0.100000E-04    0.958480E+00
  31   -0.101865E-05    0.300820E+03  0.338625E-08 0.100000E-04    0.954144E+00
  32   -0.123078E-05    0.290601E+03  0.423528E-08 0.100000E-04    0.967274E+00
  33    0.243780E-07    0.278987E+03 -0.873804E-10 0.100000E-04    0.985973E+00
  34   -0.998281E-07    0.272733E+03  0.366028E-09 0.109000E-04    0.181182E-01
  35    0.103548E-05    0.268537E+03 -0.385599E-08 0.100000E-04    0.967208E+00
  36    0.127624E-05    0.264952E+03 -0.481685E-08 0.100000E-04    0.981090E+00
  37   -0.457286E-06    0.263833E+03  0.173324E-08 0.100000E-04    0.893399E+00
  38   -0.153091E-06    0.253219E+03  0.604579E-09 0.100000E-04    0.983368E+00
  39   -0.400140E-06    0.241572E+03  0.165640E-08 0.100000E-04    0.883910E+00
  40   -0.129764E-05    0.240772E+03  0.538949E-08 0.100000E-04    0.984526E+00
  41   -0.103787E-05    0.234008E+03  0.443518E-08 0.100000E-04    0.993576E+00
  42   -0.169051E-05    0.227518E+03  0.743022E-08 0.100000E-04    0.961743E+00
  43   -0.237057E-07    0.217130E+03  0.109178E-09 0.100000E-04    0.870951E+00
  44   -0.198221E-05    0.214891E+03  0.922426E-08 0.100000E-04    0.966555E+00
  45    0.717726E-06    0.213262E+03 -0.336547E-08 0.100000E-04    0.985197E+00
  46    0.109812E-05    0.207674E+03 -0.528773E-08 0.100000E-04    0.982636E+00
  47   -0.757863E-06    0.203001E+03  0.373330E-08 0.100000E-04    0.964968E+00
  48   -0.113628E-05    0.195437E+03  0.581405E-08 0.100000E-04    0.924260E+00
  49    0.931489E-06    0.194839E+03 -0.478080E-08 0.100000E-04    0.948399E+00
  50    0.118586E-05    0.191360E+03 -0.619699E-08 0.100000E-04    0.875576E+00
  51    0.197174E-06    0.182956E+03 -0.107772E-08 0.100000E-04    0.856195E+00
  52   -0.561811E-06    0.174354E+03  0.322225E-08 0.100000E-04    0.924954E+00
  53    0.122437E-06    0.172336E+03 -0.710455E-09 0.100000E-04    0.743610E+00
  54   -0.238124E-06    0.168214E+03  0.141560E-08 0.100000E-04    0.940486E+00
  55    0.864904E-06    0.163223E+03 -0.529890E-08 0.100000E-04    0.998384E+00
  56    0.135517E-05    0.156875E+03 -0.863852E-08 0.100000E-04    0.970855E+00
  57   -0.323389E-06    0.154909E+03  0.208760E-08 0.100000E-04    0.828985E+00
  58    0.923989E-06    0.152256E+03 -0.606865E-08 0.100000E-04    0.998613E+00
  59   -0.658000E-06    0.146668E+03  0.448631E-08 0.100000E-04    0.995221E+00
  60    0.156248E-06    0.143350E+03 -0.108998E-08 0.100000E-04    0.726932E+00
  61   -0.799634E-06    0.138090E+03  0.579066E-08 0.100000E-04    0.812069E+00
  62   -0.937946E-06    0.135873E+03  0.690310E-08 0.100000E-04    0.968317E+00
  63    0.191725E-05    0.130293E+03 -0.147150E-07 0.100000E-04    0.912920E+00
  64   -0.188735E-08    0.128839E+03  0.146490E-10 0.109000E-04    0.172958E-01
  65    0.120870E-05    0.126898E+03 -0.952500E-08 0.100000E-04    0.881349E+00
  66   -0.579065E-06    0.124080E+03  0.466688E-08 0.100000E-04    0.879999E+00
  67   -0.183339E-05    0.120010E+03  0.152769E-07 0.100000E-04    0.957956E+00
  68    0.428655E-06    0.118167E+03 -0.362754E-08 0.100000E-04    0.927255E+00
  69    0.766133E-08    0.116840E+03 -0.655712E-10 0.109000E-04    0.116165E+00
  70    0.131221E-05    0.110362E+03 -0.118901E-07 0.100000E-04    0.941756E+00
  71   -0.655812E-06    0.106827E+03  0.613901E-08 0.100000E-04    0.915414E+00
  72   -0.116152E-05    0.104452E+03  0.111201E-07 0.100000E-04    0.859856E+00
  73    0.128926E-06    0.102855E+03 -0.125347E-08 0.100000E-04    0.736762E+00
  74    0.977634E-07    0.995128E+02 -0.982421E-09 0.109000E-04    0.168442E+00
  75   -0.301097E-06    0.960915E+02  0.313344E-08 0.109000E-04    0.171213E+00
  76    0.193559E-06    0.941045E+02 -0.205686E-08 0.100000E-04    0.854480E+00
  77    0.158714E-05    0.919707E+02 -0.172570E-07 0.100000E-04    0.960314E+00
  78   -0.833876E-06    0.912302E+02  0.914036E-08 0.100000E-04    0.966044E+00
  79   -0.699117E-06    0.884218E+02  0.790662E-08 0.100000E-04    0.981846E+00
  80    0.470252E-06    0.856074E+02 -0.549312E-08 0.100000E-04    0.911255E+00
  81   -0.129090E-05    0.808343E+02  0.159697E-07 0.100000E-04    0.989780E+00
  82    0.120228E-05    0.804983E+02 -0.149355E-07 0.100000E-04    0.930303E+00
  83   -0.335818E-06    0.779579E+02  0.430769E-08 0.100000E-04    0.809596E+00
  84    0.208104E-06    0.732861E+02 -0.283961E-08 0.100000E-04    0.487395E+00
  85    0.190448E-05    0.725591E+02 -0.262473E-07 0.100000E-04    0.885935E+00
  86    0.510948E-06    0.679191E+02 -0.752289E-08 0.100000E-04    0.836827E+00
  87    0.714148E-06    0.647559E+02 -0.110283E-07 0.100000E-04    0.774830E+00
  88    0.130393E-05    0.613517E+02 -0.212534E-07 0.100000E-04    0.973314E+00
  89   -0.202431E-05    0.598380E+02  0.338299E-07 0.100000E-04    0.941740E+00
  90    0.215633E-05    0.594001E+02 -0.363018E-07 0.100000E-04    0.974378E+00
  91   -0.269785E-05    0.581365E+02  0.464054E-07 0.100000E-04    0.912785E+00
  92   -0.342558E-05    0.558755E+02  0.613074E-07 0.100000E-04    0.944519E+00
  93   -0.324707E-05    0.524464E+02  0.619121E-07 0.100000E-04    0.979560E+00
  94   -0.754711E-06    0.520315E+02  0.145049E-07 0.100000E-04    0.845810E+00
  95    0.178444E-05    0.502384E+02 -0.355194E-07 0.100000E-04    0.877834E+00
  96    0.110071E-05    0.461601E+02 -0.238456E-07 0.100000E-04    0.910249E+00
  97   -0.294257E-05    0.433382E+02  0.678978E-07 0.100000E-04    0.878794E+00
  98   -0.421581E-06    0.409159E+02  0.103036E-07 0.100000E-04    0.623899E+00
  99   -0.164916E-05    0.378682E+02  0.435500E-07 0.100000E-04    0.791954E+00
 100   -0.144618E-05    0.362096E+02  0.399391E-07 0.100000E-04    0.883647E+00
 101   -0.102770E-04    0.322700E+02  0.318468E-06 0.100000E-04    0.934794E+00
 102    0.135091E-06    0.289003E+02 -0.467437E-08 0.100000E-04    0.998218E+00
 103   -0.253668E-05    0.284524E+02  0.891552E-07 0.100000E-04    0.958511E+00
 104   -0.197337E-05    0.262978E+02  0.750393E-07 0.100000E-04    0.808060E+00
 105   -0.573169E-05    0.233333E+02  0.245644E-06 0.100000E-04    0.922655E+00
 106    0.529736E-05    0.213260E+02 -0.248399E-06 0.100000E-04    0.959510E+00
 107   -0.194040E-04    0.198543E+02  0.977317E-06 0.100000E-04    0.914461E+00
 108   -0.221909E-04    0.164562E+02  0.134848E-05 0.100000E-04    0.926249E+00
 109    0.567632E-05    0.139084E+02 -0.408121E-06 0.100000E-04    0.953421E+00
 110    0.840306E-05    0.122433E+02 -0.686342E-06 0.100000E-04    0.840643E+00
 111    0.347996E-06    0.100906E+02 -0.344873E-07 0.100000E-04    0.401747E+00
 112   -0.329003E-01    0.905664E+01  0.100000E-04 0.100000E-04    0.582293E+00
 113    0.949428E-01    0.574638E+01 -0.217026E-04 0.217026E-04    0.146065E+00
 114    0.913422E+00    0.317075E+01  0.100000E-04 0.100000E-04    0.754640E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2170257857E-04    0.2674688615    

 Beginning of optimization cycle  602.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994792628
 potential> RMS force:                                               0.0860672946   |gradient|=.9189472394    
 Eigenvalues of the Hessian matrix:
   746.65986    674.06190    630.67516    600.73299    586.37043    578.88837 
   564.92495    487.45530    460.61382    459.77452    441.66734    429.37777 
   421.90718    407.95079    396.33898    387.47354    370.02834    360.56741 
   349.34761    335.29514    329.30061    321.83129    319.12326    309.39794 
   300.81949    290.60077    278.98883    272.73387    268.53683    264.95249 
   263.83344    253.21836    241.57234    240.77271    234.00919    227.51805 
   217.13056    214.89156    213.26180    207.67411    203.00043    195.43629 
   194.83987    191.36050    182.95624    174.35442    172.33602    168.21453 
   163.22311    156.87501    154.90952    152.25602    146.66779    143.34919 
   138.09081    135.87320    130.29238    128.83899    126.89775    124.07855 
   120.01066    118.16706    116.83953    110.36194    106.82689    104.45252 
   102.85512     99.51272     96.09126     94.10431     91.97025     91.23042 
    88.42124     85.60776     80.83443     80.49903     77.95766     73.28590 
    72.55852     67.91875     64.75543     61.35125     59.83772     59.40016 
    58.13647     55.87528     52.44626     52.03115     50.23902     46.15962 
    43.33878     40.91601     37.86813     36.20926     32.26966     28.90066 
    28.45247     26.29812     23.33322     21.32626     19.85421     16.45608 
    13.90851     12.24327     10.09049      9.05819      5.74657      3.17045 
overlap for current and previous eigenvector    109 is         0.9999999884
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999710
overlap for current and previous eigenvector    112 is         0.9999999337
overlap for current and previous eigenvector    113 is         0.9999999298
overlap for current and previous eigenvector    114 is         0.9999999657
J1,K1,R1,R2,RAT=   7   7    0.3508043452E-02     1.996481429        0.9964814290    
FOB,PFOB,DIAG,PSTEP=   -0.1773381112E-06   -0.1779624143E-06     746.6598618        0.2383459460E-09
J1,K1,R1,R2,RAT=   8   8   -0.4373502582E-01     2.043739021        0.9562649742    
FOB,PFOB,DIAG,PSTEP=   -0.4172226928E-06   -0.3997400848E-06     674.0618968        0.5930305335E-09
J1,K1,R1,R2,RAT=   9   9   -0.4666157781E-01     2.046651993        0.9533384222    
FOB,PFOB,DIAG,PSTEP=   -0.7441271261E-06   -0.7109527883E-06     630.6751591        0.1127293798E-08
J1,K1,R1,R2,RAT=  10  10    -2.382982807         4.382990496         1.382982807    
FOB,PFOB,DIAG,PSTEP=   -0.3192830731E-07   -0.9437941482E-08     600.7329898        0.1571064909E-10
J1,K1,R1,R2,RAT=  11  11   -0.1406714556         2.140673425        0.8593285444    
FOB,PFOB,DIAG,PSTEP=    0.1967085045E-07    0.1724497685E-07     586.3704321       -0.2940966822E-10
J1,K1,R1,R2,RAT= 109 109   -0.4235421881E-01     2.042345568        0.9576457812    
FOB,PFOB,DIAG,PSTEP=    0.5916742266E-05    0.5676324919E-05     13.90850536       -0.4081207379E-06
J1,K1,R1,R2,RAT= 110 110   -0.1567622154         2.156759023        0.8432377846    
FOB,PFOB,DIAG,PSTEP=    0.9720349692E-05    0.8403064570E-05     12.24327439       -0.6863423721E-06
J1,K1,R1,R2,RAT= 111 111    -1.534052397         3.534066475        0.5340523974    
FOB,PFOB,DIAG,PSTEP=    0.8818367735E-06    0.3479961708E-06     10.09049326       -0.3448728546E-07
J1,K1,R1,R2,RAT= 112 112    0.3877313685         726.0341328        0.6122686315    
FOB,PFOB,DIAG,PSTEP=   -0.3286520840E-01   -0.3290032984E-01     9.058188212        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8009446589         1523.351793        0.1990553411    
FOB,PFOB,DIAG,PSTEP=    0.9504264972E-01    0.9494275959E-01     5.746570031       -0.2170257857E-04
J1,K1,R1,R2,RAT= 114 114    0.2006147439        -57621.17317        0.7993852561    
FOB,PFOB,DIAG,PSTEP=    0.9134280487        0.9134216883         3.170448703        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03287      0.09504      0.91343 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3824829646
 Log product of positive Hessian eigenvalues =          519.0714841047
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1704487026
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=        0.0000000069
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=       -0.0000000158
 Unscaled step for mode   64=        0.0000000007
 Unscaled step for mode   65=       -0.0000000106
 Unscaled step for mode   66=        0.0000000052
 Unscaled step for mode   67=        0.0000000158
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000125
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=        0.0000000100
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=        0.0000000019
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=       -0.0000000167
 Unscaled step for mode   78=        0.0000000094
 Unscaled step for mode   79=        0.0000000080
 Unscaled step for mode   80=       -0.0000000060
 Unscaled step for mode   81=        0.0000000161
 Unscaled step for mode   82=       -0.0000000158
 Unscaled step for mode   83=        0.0000000037
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=       -0.0000000291
 Unscaled step for mode   86=       -0.0000000087
 Unscaled step for mode   87=       -0.0000000136
 Unscaled step for mode   88=       -0.0000000207
 Unscaled step for mode   89=        0.0000000356
 Unscaled step for mode   90=       -0.0000000370
 Unscaled step for mode   91=        0.0000000497
 Unscaled step for mode   92=        0.0000000641
 Unscaled step for mode   93=        0.0000000627
 Unscaled step for mode   94=        0.0000000128
 Unscaled step for mode   95=       -0.0000000398
 Unscaled step for mode   96=       -0.0000000255
 Unscaled step for mode   97=        0.0000000755
 Unscaled step for mode   98=        0.0000000157
 Unscaled step for mode   99=        0.0000000531
 Unscaled step for mode  100=        0.0000000443
 Unscaled step for mode  101=        0.0000003354
 Unscaled step for mode  102=        0.0000000028
 Unscaled step for mode  103=        0.0000000924
 Unscaled step for mode  104=        0.0000000659
 Unscaled step for mode  105=        0.0000002619
 Unscaled step for mode  106=       -0.0000002564
 Unscaled step for mode  107=        0.0000010497
 Unscaled step for mode  108=        0.0000014333
 Unscaled step for mode  109=       -0.0000004254
 Unscaled step for mode  110=       -0.0000007939
 Unscaled step for mode  111=       -0.0000000874
 Unscaled step for mode  112=        0.0036281842
 Unscaled step for mode  113=       -0.0165345007
 Unscaled step for mode  114=        0.2674922208
 Largest modulus ratio of non-zero e/values=           235.5060535    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.147712E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.248114E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.568672E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.636210E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.342012E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.364300E-14    0.974299E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177338E-06    0.746660E+03  0.237509E-09 0.100000E-04    0.996481E+00
   8   -0.417223E-06    0.674062E+03  0.618968E-09 0.100000E-04    0.956265E+00
   9   -0.744127E-06    0.630675E+03  0.117989E-08 0.100000E-04    0.953338E+00
  10   -0.319283E-07    0.600733E+03  0.531489E-10 0.100000E-04    0.138298E+01
  11    0.196709E-07    0.586370E+03 -0.335468E-10 0.100000E-04    0.859329E+00
  12   -0.106514E-05    0.578888E+03  0.183998E-08 0.100000E-04    0.949402E+00
  13    0.510811E-07    0.564925E+03 -0.904211E-10 0.100000E-04    0.943889E+00
  14    0.450482E-06    0.487455E+03 -0.924151E-09 0.100000E-04    0.939076E+00
  15   -0.443154E-06    0.460614E+03  0.962093E-09 0.100000E-04    0.946660E+00
  16   -0.124357E-06    0.459775E+03  0.270474E-09 0.100000E-04    0.787227E+00
  17   -0.592127E-06    0.441667E+03  0.134066E-08 0.100000E-04    0.912389E+00
  18   -0.429717E-06    0.429378E+03  0.100079E-08 0.100000E-04    0.941445E+00
  19   -0.144298E-06    0.421907E+03  0.342014E-09 0.100000E-04    0.820735E+00
  20   -0.391474E-06    0.407951E+03  0.959612E-09 0.100000E-04    0.930605E+00
  21   -0.440005E-06    0.396339E+03  0.111017E-08 0.100000E-04    0.927158E+00
  22   -0.656706E-06    0.387474E+03  0.169484E-08 0.100000E-04    0.993177E+00
  23    0.837140E-06    0.370028E+03 -0.226237E-08 0.100000E-04    0.930729E+00
  24   -0.446649E-06    0.360567E+03  0.123874E-08 0.100000E-04    0.980808E+00
  25   -0.736551E-07    0.349348E+03  0.210836E-09 0.100000E-04    0.692847E+00
  26   -0.730604E-07    0.335295E+03  0.217899E-09 0.100000E-04    0.615873E+00
  27    0.369184E-06    0.329301E+03 -0.112111E-08 0.100000E-04    0.894025E+00
  28   -0.390860E-06    0.321831E+03  0.121449E-08 0.100000E-04    0.903800E+00
  29   -0.592009E-07    0.319123E+03  0.185511E-09 0.100000E-04    0.145193E+02
  30   -0.138571E-05    0.309398E+03  0.447873E-08 0.100000E-04    0.968576E+00
  31   -0.105796E-05    0.300819E+03  0.351692E-08 0.100000E-04    0.961413E+00
  32   -0.126249E-05    0.290601E+03  0.434442E-08 0.100000E-04    0.974232E+00
  33   -0.150615E-07    0.278989E+03  0.539861E-10 0.100000E-04    0.617823E+00
  34   -0.596257E-07    0.272734E+03  0.218622E-09 0.100000E-04    0.597282E+00
  35    0.106126E-05    0.268537E+03 -0.395202E-08 0.100000E-04    0.975096E+00
  36    0.129466E-05    0.264952E+03 -0.488638E-08 0.100000E-04    0.985565E+00
  37   -0.502794E-06    0.263833E+03  0.190572E-08 0.100000E-04    0.900484E+00
  38   -0.150683E-06    0.253218E+03  0.595072E-09 0.100000E-04    0.984273E+00
  39   -0.368079E-06    0.241572E+03  0.152368E-08 0.100000E-04    0.919873E+00
  40   -0.131243E-05    0.240773E+03  0.545090E-08 0.100000E-04    0.988602E+00
  41   -0.103264E-05    0.234009E+03  0.441280E-08 0.100000E-04    0.994951E+00
  42   -0.174004E-05    0.227518E+03  0.764791E-08 0.100000E-04    0.970701E+00
  43   -0.251334E-07    0.217131E+03  0.115753E-09 0.100000E-04    0.939773E+00
  44   -0.203637E-05    0.214892E+03  0.947627E-08 0.100000E-04    0.972679E+00
  45    0.706947E-06    0.213262E+03 -0.331493E-08 0.100000E-04    0.984982E+00
  46    0.111516E-05    0.207674E+03 -0.536976E-08 0.100000E-04    0.984484E+00
  47   -0.780687E-06    0.203000E+03  0.384574E-08 0.100000E-04    0.969884E+00
  48   -0.120917E-05    0.195436E+03  0.618705E-08 0.100000E-04    0.935851E+00
  49    0.973953E-06    0.194840E+03 -0.499874E-08 0.100000E-04    0.954413E+00
  50    0.132271E-05    0.191360E+03 -0.691213E-08 0.100000E-04    0.884597E+00
  51    0.223813E-06    0.182956E+03 -0.122331E-08 0.100000E-04    0.864899E+00
  52   -0.597585E-06    0.174354E+03  0.342742E-08 0.100000E-04    0.936324E+00
  53    0.102569E-06    0.172336E+03 -0.595166E-09 0.100000E-04    0.837725E+00
  54   -0.226223E-06    0.168215E+03  0.134485E-08 0.100000E-04    0.950020E+00
  55    0.859355E-06    0.163223E+03 -0.526491E-08 0.100000E-04    0.993585E+00
  56    0.138803E-05    0.156875E+03 -0.884800E-08 0.100000E-04    0.975752E+00
  57   -0.380463E-06    0.154910E+03  0.245604E-08 0.100000E-04    0.823511E+00
  58    0.921900E-06    0.152256E+03 -0.605493E-08 0.100000E-04    0.997739E+00
  59   -0.658377E-06    0.146668E+03  0.448890E-08 0.100000E-04    0.999428E+00
  60    0.206442E-06    0.143349E+03 -0.144013E-08 0.100000E-04    0.678759E+00
  61   -0.952569E-06    0.138091E+03  0.689814E-08 0.100000E-04    0.808744E+00
  62   -0.960936E-06    0.135873E+03  0.707230E-08 0.100000E-04    0.975488E+00
  63    0.206453E-05    0.130292E+03 -0.158454E-07 0.100000E-04    0.923180E+00
  64   -0.888086E-07    0.128839E+03  0.689299E-09 0.100000E-04    0.450545E+02
  65    0.134440E-05    0.126898E+03 -0.105943E-07 0.100000E-04    0.887733E+00
  66   -0.646285E-06    0.124079E+03  0.520868E-08 0.100000E-04    0.883914E+00
  67   -0.189716E-05    0.120011E+03  0.158083E-07 0.100000E-04    0.965218E+00
  68    0.456147E-06    0.118167E+03 -0.386019E-08 0.100000E-04    0.935865E+00
  69    0.595849E-07    0.116840E+03 -0.509972E-09 0.100000E-04    0.577739E+01
  70    0.137779E-05    0.110362E+03 -0.124843E-07 0.100000E-04    0.950027E+00
  71   -0.705963E-06    0.106827E+03  0.660848E-08 0.100000E-04    0.923528E+00
  72   -0.104358E-05    0.104453E+03  0.999098E-08 0.100000E-04    0.898458E+00
  73    0.166576E-06    0.102855E+03 -0.161952E-08 0.100000E-04    0.707968E+00
  74    0.588919E-07    0.995127E+02 -0.591803E-09 0.100000E-04    0.602391E+00
  75   -0.185206E-06    0.960913E+02  0.192739E-08 0.100000E-04    0.615102E+00
  76    0.219264E-06    0.941043E+02 -0.233001E-08 0.100000E-04    0.867203E+00
  77    0.153394E-05    0.919703E+02 -0.166786E-07 0.100000E-04    0.966479E+00
  78   -0.854281E-06    0.912304E+02  0.936399E-08 0.100000E-04    0.975531E+00
  79   -0.706965E-06    0.884212E+02  0.799542E-08 0.100000E-04    0.988774E+00
  80    0.509419E-06    0.856078E+02 -0.595061E-08 0.100000E-04    0.916713E+00
  81   -0.129838E-05    0.808344E+02  0.160622E-07 0.100000E-04    0.994207E+00
  82    0.127532E-05    0.804990E+02 -0.158427E-07 0.100000E-04    0.939251E+00
  83   -0.290438E-06    0.779577E+02  0.372559E-08 0.100000E-04    0.864866E+00
  84    0.388717E-06    0.732859E+02 -0.530412E-08 0.109000E-04    0.132102E+00
  85    0.211177E-05    0.725585E+02 -0.291044E-07 0.100000E-04    0.891156E+00
  86    0.591329E-06    0.679188E+02 -0.870642E-08 0.100000E-04    0.842681E+00
  87    0.880783E-06    0.647554E+02 -0.136017E-07 0.100000E-04    0.766665E+00
  88    0.126864E-05    0.613513E+02 -0.206783E-07 0.100000E-04    0.972936E+00
  89   -0.212896E-05    0.598377E+02  0.355789E-07 0.100000E-04    0.948303E+00
  90    0.219857E-05    0.594002E+02 -0.370129E-07 0.100000E-04    0.980409E+00
  91   -0.288868E-05    0.581365E+02  0.496878E-07 0.100000E-04    0.929266E+00
  92   -0.358105E-05    0.558753E+02  0.640900E-07 0.100000E-04    0.954616E+00
  93   -0.329093E-05    0.524463E+02  0.627486E-07 0.100000E-04    0.986491E+00
  94   -0.664507E-06    0.520312E+02  0.127713E-07 0.100000E-04    0.880477E+00
  95    0.199728E-05    0.502390E+02 -0.397556E-07 0.100000E-04    0.880724E+00
  96    0.117763E-05    0.461596E+02 -0.255122E-07 0.100000E-04    0.930118E+00
  97   -0.327343E-05    0.433388E+02  0.755313E-07 0.100000E-04    0.887561E+00
  98   -0.641233E-06    0.409160E+02  0.156719E-07 0.100000E-04    0.478983E+00
  99   -0.201112E-05    0.378681E+02  0.531084E-07 0.100000E-04    0.780520E+00
 100   -0.160234E-05    0.362093E+02  0.442523E-07 0.100000E-04    0.892014E+00
 101   -0.108237E-04    0.322697E+02  0.335414E-06 0.100000E-04    0.946799E+00
 102   -0.805926E-07    0.289007E+02  0.278861E-08 0.100000E-04    0.596562E+00
 103   -0.262828E-05    0.284525E+02  0.923744E-07 0.100000E-04    0.963889E+00
 104   -0.173410E-05    0.262981E+02  0.659399E-07 0.100000E-04    0.878728E+00
 105   -0.611136E-05    0.233332E+02  0.261917E-06 0.100000E-04    0.933759E+00
 106    0.546860E-05    0.213263E+02 -0.256426E-06 0.100000E-04    0.967674E+00
 107   -0.208403E-04    0.198542E+02  0.104966E-05 0.100000E-04    0.925979E+00
 108   -0.235871E-04    0.164561E+02  0.143334E-05 0.100000E-04    0.937083E+00
 109    0.591674E-05    0.139085E+02 -0.425405E-06 0.100000E-04    0.957646E+00
 110    0.972035E-05    0.122433E+02 -0.793934E-06 0.100000E-04    0.843238E+00
 111    0.881837E-06    0.100905E+02 -0.873928E-07 0.100000E-04    0.534052E+00
 112   -0.328652E-01    0.905819E+01  0.100000E-04 0.100000E-04    0.612269E+00
 113    0.950426E-01    0.574657E+01 -0.236558E-04 0.236558E-04    0.199055E+00
 114    0.913428E+00    0.317045E+01  0.100000E-04 0.100000E-04    0.799385E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2365581064E-04    0.2674922208    

 Beginning of optimization cycle  603.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994727033
 potential> RMS force:                                               0.0860686261   |gradient|=.9189614559    
 Eigenvalues of the Hessian matrix:
   746.66395    674.06039    630.67832    600.73067    586.36979    578.88864 
   564.92064    487.45485    460.61244    459.77394    441.66667    429.37924 
   421.90655    407.94904    396.33838    387.47205    370.02882    360.56762 
   349.34690    335.29585    329.30155    321.83099    319.12407    309.39673 
   300.81893    290.60084    278.99043    272.73436    268.53713    264.95284 
   263.83415    253.21777    241.57270    240.77317    234.01006    227.51845 
   217.13137    214.89170    213.26149    207.67464    202.99998    195.43544 
   194.84030    191.36099    182.95706    174.35521    172.33627    168.21485 
   163.22275    156.87478    154.91007    152.25583    146.66714    143.34874 
   138.09137    135.87320    130.29208    128.83922    126.89794    124.07734 
   120.01084    118.16718    116.83905    110.36221    106.82670    104.45274 
   102.85519     99.51264     96.09103     94.10405     91.96984     91.23066 
    88.42069     85.60809     80.83451     80.49977     77.95742     73.28565 
    72.55788     67.91841     64.75492     61.35077     59.83747     59.40025 
    58.13641     55.87502     52.44614     52.03073     50.23964     46.15916 
    43.33939     40.91611     37.86806     36.20883     32.26926     28.90100 
    28.45253     26.29842     23.33313     21.32648     19.85412     16.45596 
    13.90856     12.24329     10.09042      9.05982      5.74678      3.17014 
overlap for current and previous eigenvector    109 is         0.9999999870
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999660
overlap for current and previous eigenvector    112 is         0.9999999250
overlap for current and previous eigenvector    113 is         0.9999999211
overlap for current and previous eigenvector    114 is         0.9999999605
J1,K1,R1,R2,RAT=   7   7    0.3624141664E-01     1.963747632        0.9637476324    
FOB,PFOB,DIAG,PSTEP=   -0.1709110916E-06   -0.1773381112E-06     746.6639502        0.2375085635E-09
J1,K1,R1,R2,RAT=   8   8   -0.4552332258E-01     2.045527779        0.9544766774    
FOB,PFOB,DIAG,PSTEP=   -0.4362160137E-06   -0.4172226928E-06     674.0603948        0.6189679239E-09
J1,K1,R1,R2,RAT=   9   9   -0.5149259942E-01     2.051482578        0.9485074006    
FOB,PFOB,DIAG,PSTEP=   -0.7824443581E-06   -0.7441271261E-06     630.6783191        0.1179889703E-08
J1,K1,R1,R2,RAT=  10  10   -0.6967280758         2.696735815        0.3032719242    
FOB,PFOB,DIAG,PSTEP=   -0.5417356935E-07   -0.3192830731E-07     600.7306651        0.5314891617E-10
J1,K1,R1,R2,RAT=  11  11   -0.3126548933         2.312657088        0.6873451067    
FOB,PFOB,DIAG,PSTEP=    0.2582103135E-07    0.1967085045E-07     586.3697885       -0.3354679802E-10
J1,K1,R1,R2,RAT= 109 109   -0.2132716865E-01     2.021318603        0.9786728313    
FOB,PFOB,DIAG,PSTEP=    0.6042930167E-05    0.5916742266E-05     13.90856494       -0.4254046076E-06
J1,K1,R1,R2,RAT= 110 110   -0.1483755134         2.148372939        0.8516244866    
FOB,PFOB,DIAG,PSTEP=    0.1116261342E-04    0.9720349692E-05     12.24329015       -0.7939338273E-06
J1,K1,R1,R2,RAT= 111 111   -0.2370936971         2.237108075        0.7629063029    
FOB,PFOB,DIAG,PSTEP=    0.1090913211E-05    0.8818367735E-06     10.09042072       -0.8739283114E-07
J1,K1,R1,R2,RAT= 112 112    0.3557062308         725.1602052        0.6442937692    
FOB,PFOB,DIAG,PSTEP=   -0.3283298206E-01   -0.3286520840E-01     9.059817402        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7759078212         1399.030535        0.2240921788    
FOB,PFOB,DIAG,PSTEP=    0.9514813027E-01    0.9504264972E-01     5.746778138       -0.2365581064E-04
J1,K1,R1,R2,RAT= 114 114    0.1413141103        -57627.10622        0.8586858897    
FOB,PFOB,DIAG,PSTEP=    0.9134325286        0.9134280487         3.170141097        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00003 
     0.00001      0.00001      0.00000     -0.03283      0.09515      0.91343 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3824633543
 Log product of positive Hessian eigenvalues =          519.0715669194
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1701410971
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000050
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000080
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000098
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000077
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000028
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000018
 Unscaled step for mode   61=        0.0000000081
 Unscaled step for mode   62=        0.0000000074
 Unscaled step for mode   63=       -0.0000000173
 Unscaled step for mode   64=        0.0000000016
 Unscaled step for mode   65=       -0.0000000117
 Unscaled step for mode   66=        0.0000000058
 Unscaled step for mode   67=        0.0000000165
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=       -0.0000000008
 Unscaled step for mode   70=       -0.0000000132
 Unscaled step for mode   71=        0.0000000071
 Unscaled step for mode   72=        0.0000000087
 Unscaled step for mode   73=       -0.0000000020
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=        0.0000000007
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=       -0.0000000162
 Unscaled step for mode   78=        0.0000000097
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000163
 Unscaled step for mode   82=        0.0000000168
 Unscaled step for mode   83=       -0.0000000030
 Unscaled step for mode   84=       -0.0000000080
 Unscaled step for mode   85=       -0.0000000319
 Unscaled step for mode   86=       -0.0000000101
 Unscaled step for mode   87=       -0.0000000168
 Unscaled step for mode   88=       -0.0000000201
 Unscaled step for mode   89=        0.0000000371
 Unscaled step for mode   90=       -0.0000000385
 Unscaled step for mode   91=        0.0000000550
 Unscaled step for mode   92=        0.0000000684
 Unscaled step for mode   93=        0.0000000649
 Unscaled step for mode   94=        0.0000000114
 Unscaled step for mode   95=       -0.0000000436
 Unscaled step for mode   96=       -0.0000000286
 Unscaled step for mode   97=        0.0000000839
 Unscaled step for mode   98=        0.0000000203
 Unscaled step for mode   99=        0.0000000628
 Unscaled step for mode  100=        0.0000000491
 Unscaled step for mode  101=        0.0000003615
 Unscaled step for mode  102=        0.0000000130
 Unscaled step for mode  103=        0.0000000951
 Unscaled step for mode  104=        0.0000000474
 Unscaled step for mode  105=        0.0000002847
 Unscaled step for mode  106=       -0.0000002656
 Unscaled step for mode  107=        0.0000011483
 Unscaled step for mode  108=        0.0000015480
 Unscaled step for mode  109=       -0.0000004345
 Unscaled step for mode  110=       -0.0000009117
 Unscaled step for mode  111=       -0.0000001081
 Unscaled step for mode  112=        0.0036239749
 Unscaled step for mode  113=       -0.0165522419
 Unscaled step for mode  114=        0.2675158462
 Largest modulus ratio of non-zero e/values=           235.5301948    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.374050E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.152309E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.400233E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.254625E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.796889E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.392413E-14    0.974300E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170911E-06    0.746664E+03  0.228900E-09 0.100000E-04    0.963748E+00
   8   -0.436216E-06    0.674060E+03  0.647147E-09 0.100000E-04    0.954477E+00
   9   -0.782444E-06    0.630678E+03  0.124064E-08 0.100000E-04    0.948507E+00
  10   -0.541736E-07    0.600731E+03  0.901795E-10 0.100000E-04    0.303272E+00
  11    0.258210E-07    0.586370E+03 -0.440354E-10 0.100000E-04    0.687345E+00
  12   -0.111798E-05    0.578889E+03  0.193125E-08 0.100000E-04    0.950397E+00
  13    0.485845E-07    0.564921E+03 -0.860023E-10 0.100000E-04    0.951123E+00
  14    0.471659E-06    0.487455E+03 -0.967595E-09 0.100000E-04    0.952991E+00
  15   -0.470157E-06    0.460612E+03  0.102072E-08 0.100000E-04    0.939065E+00
  16   -0.150105E-06    0.459774E+03  0.326475E-09 0.100000E-04    0.792954E+00
  17   -0.643607E-06    0.441667E+03  0.145722E-08 0.100000E-04    0.913058E+00
  18   -0.458138E-06    0.429379E+03  0.106698E-08 0.100000E-04    0.933862E+00
  19   -0.112652E-06    0.421907E+03  0.267008E-09 0.100000E-04    0.780691E+00
  20   -0.418217E-06    0.407949E+03  0.102517E-08 0.100000E-04    0.931686E+00
  21   -0.472647E-06    0.396338E+03  0.119253E-08 0.100000E-04    0.925813E+00
  22   -0.667160E-06    0.387472E+03  0.172183E-08 0.100000E-04    0.984080E+00
  23    0.893087E-06    0.370029E+03 -0.241356E-08 0.100000E-04    0.933169E+00
  24   -0.456511E-06    0.360568E+03  0.126609E-08 0.100000E-04    0.977918E+00
  25   -0.432298E-07    0.349347E+03  0.123744E-09 0.100000E-04    0.586920E+00
  26   -0.128001E-07    0.335296E+03  0.381755E-10 0.109000E-04    0.175196E+00
  27    0.415346E-06    0.329302E+03 -0.126129E-08 0.100000E-04    0.874961E+00
  28   -0.438196E-06    0.321831E+03  0.136157E-08 0.100000E-04    0.878892E+00
  29   -0.145525E-06    0.319124E+03  0.456015E-09 0.100000E-04    0.458154E+00
  30   -0.146104E-05    0.309397E+03  0.472221E-08 0.100000E-04    0.945640E+00
  31   -0.110635E-05    0.300819E+03  0.367780E-08 0.100000E-04    0.954257E+00
  32   -0.131034E-05    0.290601E+03  0.450907E-08 0.100000E-04    0.962099E+00
  33   -0.646101E-07    0.278990E+03  0.231585E-09 0.100000E-04    0.228973E+01
  34   -0.394013E-08    0.272734E+03  0.144468E-10 0.109000E-04    0.660791E-01
  35    0.110229E-05    0.268537E+03 -0.410480E-08 0.100000E-04    0.961340E+00
  36    0.131570E-05    0.264953E+03 -0.496581E-08 0.100000E-04    0.983744E+00
  37   -0.551862E-06    0.263834E+03  0.209170E-08 0.100000E-04    0.902408E+00
  38   -0.148132E-06    0.253218E+03  0.584999E-09 0.100000E-04    0.983070E+00
  39   -0.327280E-06    0.241573E+03  0.135479E-08 0.100000E-04    0.889154E+00
  40   -0.132688E-05    0.240773E+03  0.551093E-08 0.100000E-04    0.988986E+00
  41   -0.101818E-05    0.234010E+03  0.435099E-08 0.100000E-04    0.985989E+00
  42   -0.182132E-05    0.227518E+03  0.800515E-08 0.100000E-04    0.953288E+00
  43   -0.319936E-07    0.217131E+03  0.147347E-09 0.100000E-04    0.727051E+00
  44   -0.209683E-05    0.214892E+03  0.975763E-08 0.100000E-04    0.970308E+00
  45    0.709416E-06    0.213261E+03 -0.332651E-08 0.100000E-04    0.996508E+00
  46    0.112162E-05    0.207675E+03 -0.540085E-08 0.100000E-04    0.994208E+00
  47   -0.799070E-06    0.203000E+03  0.393631E-08 0.100000E-04    0.976452E+00
  48   -0.131564E-05    0.195435E+03  0.673184E-08 0.100000E-04    0.911951E+00
  49    0.101528E-05    0.194840E+03 -0.521081E-08 0.100000E-04    0.957573E+00
  50    0.147495E-05    0.191361E+03 -0.770770E-08 0.100000E-04    0.884900E+00
  51    0.256906E-06    0.182957E+03 -0.140419E-08 0.100000E-04    0.852139E+00
  52   -0.650570E-06    0.174355E+03  0.373129E-08 0.100000E-04    0.911336E+00
  53    0.805575E-07    0.172336E+03 -0.467444E-09 0.100000E-04    0.785399E+00
  54   -0.214839E-06    0.168215E+03  0.127717E-08 0.100000E-04    0.949677E+00
  55    0.868594E-06    0.163223E+03 -0.532153E-08 0.100000E-04    0.989249E+00
  56    0.142583E-05    0.156875E+03 -0.908894E-08 0.100000E-04    0.972770E+00
  57   -0.431430E-06    0.154910E+03  0.278504E-08 0.100000E-04    0.866040E+00
  58    0.933042E-06    0.152256E+03 -0.612812E-08 0.100000E-04    0.987914E+00
  59   -0.665790E-06    0.146667E+03  0.453946E-08 0.100000E-04    0.988741E+00
  60    0.253200E-06    0.143349E+03 -0.176632E-08 0.100000E-04    0.773501E+00
  61   -0.111442E-05    0.138091E+03  0.807019E-08 0.100000E-04    0.830087E+00
  62   -0.100041E-05    0.135873E+03  0.736282E-08 0.100000E-04    0.958922E+00
  63    0.225256E-05    0.130292E+03 -0.172886E-07 0.100000E-04    0.908924E+00
  64   -0.204051E-06    0.128839E+03  0.158376E-08 0.100000E-04    0.297644E+00
  65    0.147904E-05    0.126898E+03 -0.116554E-07 0.100000E-04    0.899846E+00
  66   -0.714272E-06    0.124077E+03  0.575667E-08 0.100000E-04    0.894803E+00
  67   -0.197706E-05    0.120011E+03  0.164740E-07 0.100000E-04    0.957882E+00
  68    0.486307E-06    0.118167E+03 -0.411542E-08 0.100000E-04    0.933880E+00
  69    0.928186E-07    0.116839E+03 -0.794414E-09 0.100000E-04    0.442245E+00
  70    0.145138E-05    0.110362E+03 -0.131511E-07 0.100000E-04    0.946583E+00
  71   -0.762803E-06    0.106827E+03  0.714056E-08 0.100000E-04    0.919486E+00
  72   -0.906579E-06    0.104453E+03  0.867932E-08 0.100000E-04    0.868713E+00
  73    0.205936E-06    0.102855E+03 -0.200219E-08 0.100000E-04    0.763716E+00
  74    0.256550E-07    0.995126E+02 -0.257806E-09 0.100000E-04    0.435628E+00
  75   -0.657367E-07    0.960910E+02  0.684108E-09 0.100000E-04    0.354937E+00
  76    0.246976E-06    0.941041E+02 -0.262450E-08 0.100000E-04    0.873610E+00
  77    0.148662E-05    0.919698E+02 -0.161642E-07 0.100000E-04    0.969152E+00
  78   -0.889104E-06    0.912307E+02  0.974567E-08 0.100000E-04    0.959237E+00
  79   -0.737989E-06    0.884207E+02  0.834634E-08 0.100000E-04    0.956116E+00
  80   -0.553539E-06    0.856081E+02  0.646597E-08 0.100000E-04    0.913391E+00
  81    0.132145E-05    0.808345E+02 -0.163476E-07 0.100000E-04    0.982234E+00
  82   -0.135552E-05    0.804998E+02  0.168388E-07 0.100000E-04    0.937114E+00
  83    0.235969E-06    0.779574E+02 -0.302689E-08 0.100000E-04    0.812458E+00
  84    0.586080E-06    0.732856E+02 -0.799720E-08 0.100000E-04    0.492270E+00
  85    0.231218E-05    0.725579E+02 -0.318668E-07 0.100000E-04    0.905097E+00
  86    0.685427E-06    0.679184E+02 -0.100919E-07 0.100000E-04    0.840870E+00
  87    0.108516E-05    0.647549E+02 -0.167580E-07 0.100000E-04    0.767953E+00
  88    0.123204E-05    0.613508E+02 -0.200819E-07 0.100000E-04    0.971149E+00
  89   -0.221913E-05    0.598375E+02  0.370860E-07 0.100000E-04    0.957644E+00
  90    0.228841E-05    0.594002E+02 -0.385252E-07 0.100000E-04    0.959140E+00
  91   -0.319668E-05    0.581364E+02  0.549859E-07 0.100000E-04    0.893375E+00
  92   -0.382246E-05    0.558750E+02  0.684108E-07 0.100000E-04    0.932586E+00
  93   -0.340423E-05    0.524461E+02  0.649090E-07 0.100000E-04    0.965573E+00
  94   -0.595652E-06    0.520307E+02  0.114481E-07 0.100000E-04    0.896380E+00
  95    0.219143E-05    0.502396E+02 -0.436196E-07 0.100000E-04    0.902792E+00
  96    0.132057E-05    0.461592E+02 -0.286090E-07 0.100000E-04    0.878625E+00
  97   -0.363685E-05    0.433394E+02  0.839155E-07 0.100000E-04    0.888982E+00
  98   -0.831664E-06    0.409161E+02  0.203261E-07 0.100000E-04    0.703024E+00
  99   -0.237980E-05    0.378681E+02  0.628444E-07 0.100000E-04    0.816678E+00
 100   -0.177636E-05    0.362088E+02  0.490586E-07 0.100000E-04    0.891400E+00
 101   -0.116665E-04    0.322693E+02  0.361535E-06 0.100000E-04    0.922137E+00
 102   -0.377146E-06    0.289010E+02  0.130496E-07 0.100000E-04    0.267961E+01
 103   -0.270573E-05    0.284525E+02  0.950964E-07 0.100000E-04    0.970531E+00
 104   -0.124731E-05    0.262984E+02  0.474289E-07 0.100000E-04    0.719263E+00
 105   -0.664252E-05    0.233331E+02  0.284682E-06 0.100000E-04    0.913086E+00
 106    0.566429E-05    0.213265E+02 -0.265599E-06 0.100000E-04    0.964216E+00
 107   -0.227983E-04    0.198541E+02  0.114829E-05 0.100000E-04    0.906045E+00
 108   -0.254735E-04    0.164560E+02  0.154798E-05 0.100000E-04    0.920023E+00
 109    0.604293E-05    0.139086E+02 -0.434475E-06 0.100000E-04    0.978673E+00
 110    0.111626E-04    0.122433E+02 -0.911733E-06 0.100000E-04    0.851624E+00
 111    0.109091E-05    0.100904E+02 -0.108114E-06 0.100000E-04    0.762906E+00
 112   -0.328330E-01    0.905982E+01  0.100000E-04 0.100000E-04    0.644294E+00
 113    0.951481E-01    0.574678E+01 -0.213115E-04 0.213115E-04    0.224092E+00
 114    0.913433E+00    0.317014E+01  0.100000E-04 0.100000E-04    0.858686E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2131154112E-04    0.2675158462    

 Beginning of optimization cycle  604.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994659232
 potential> RMS force:                                               0.0860700866   |gradient|=.9189770501    
 Eigenvalues of the Hessian matrix:
   746.66791    674.05914    630.68134    600.72833    586.36923    578.88889 
   564.91662    487.45451    460.61112    459.77338    441.66607    429.38052 
   421.90594    407.94740    396.33782    387.47061    370.02929    360.56778 
   349.34615    335.29650    329.30242    321.83076    319.12471    309.39556 
   300.81832    290.60089    278.99190    272.73482    268.53734    264.95317 
   263.83475    253.21715    241.57296    240.77360    234.01083    227.51877 
   217.13207    214.89184    213.26119    207.67513    202.99955    195.43462 
   194.84067    191.36146    182.95779    174.35595    172.33650    168.21513 
   163.22242    156.87455    154.91059    152.25565    146.66653    143.34835 
   138.09189    135.87320    130.29183    128.83944    126.89815    124.07621 
   120.01102    118.16732    116.83863    110.36245    106.82653    104.45298 
   102.85526     99.51257     96.09083     94.10383     91.96942     91.23088 
    88.42017     85.60839     80.83458     80.50045     77.95720     73.28545 
    72.55731     67.91811     64.75446     61.35029     59.83723     59.40035 
    58.13637     55.87480     52.44604     52.03035     50.24023     46.15874 
    43.33996     40.91622     37.86802     36.20850     32.26889     28.90134 
    28.45259     26.29870     23.33303     21.32673     19.85402     16.45587 
    13.90862     12.24331     10.09035      9.06134      5.74696      3.16985 
overlap for current and previous eigenvector    109 is         0.9999999889
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999717
overlap for current and previous eigenvector    112 is         0.9999999356
overlap for current and previous eigenvector    113 is         0.9999999308
overlap for current and previous eigenvector    114 is         0.9999999658
J1,K1,R1,R2,RAT=   7   7   -0.9866803676E-02     2.009856188        0.9901331963    
FOB,PFOB,DIAG,PSTEP=   -0.1725974467E-06   -0.1709110916E-06     746.6679132        0.2288996162E-09
J1,K1,R1,R2,RAT=   8   8    0.5204705884E-01     1.947956677        0.9479529412    
FOB,PFOB,DIAG,PSTEP=   -0.4135122956E-06   -0.4362160137E-06     674.0591358        0.6471467796E-09
J1,K1,R1,R2,RAT=   9   9    0.5663431416E-01     1.943356094        0.9433560944    
FOB,PFOB,DIAG,PSTEP=   -0.7381309460E-06   -0.7824443581E-06     630.6813437        0.1240639379E-08
J1,K1,R1,R2,RAT=  10  10    0.5243530637         1.475654723        0.4756469363    
FOB,PFOB,DIAG,PSTEP=   -0.2576760288E-07   -0.5417356935E-07     600.7283264        0.9017946393E-10
J1,K1,R1,R2,RAT=  11  11    0.1710575637         1.828944348        0.8289424363    
FOB,PFOB,DIAG,PSTEP=    0.2140415286E-07    0.2582103135E-07     586.3692281       -0.4403540539E-10
J1,K1,R1,R2,RAT= 109 109    0.5249350401E-01     1.947498078        0.9474980775    
FOB,PFOB,DIAG,PSTEP=    0.5725714253E-05    0.6042930167E-05     13.90862348       -0.4344754613E-06
J1,K1,R1,R2,RAT= 110 110    0.1526824128         1.847314737        0.8473147366    
FOB,PFOB,DIAG,PSTEP=    0.9458276245E-05    0.1116261342E-04     12.24330760       -0.9117331445E-06
J1,K1,R1,R2,RAT= 111 111    0.5383286509         1.461686036        0.4616713491    
FOB,PFOB,DIAG,PSTEP=    0.5036476865E-06    0.1090913211E-05     10.09034662       -0.1081137488E-06
J1,K1,R1,R2,RAT= 112 112    0.3956185359         724.2871069        0.6043814641    
FOB,PFOB,DIAG,PSTEP=   -0.3279713372E-01   -0.3283298206E-01     9.061339787        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8340739601         1554.569263        0.1659260399    
FOB,PFOB,DIAG,PSTEP=    0.9525028484E-01    0.9514813027E-01     5.746962933       -0.2131154112E-04
J1,K1,R1,R2,RAT= 114 114    0.1996950661        -57632.82355        0.8003049339    
FOB,PFOB,DIAG,PSTEP=    0.9134388586        0.9134325286         3.169845367        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03280      0.09525      0.91344 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3824420119
 Log product of positive Hessian eigenvalues =          519.0716431714
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1698453668
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000013
 Unscaled step for mode   61=        0.0000000066
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=       -0.0000000158
 Unscaled step for mode   64=        0.0000000007
 Unscaled step for mode   65=       -0.0000000103
 Unscaled step for mode   66=        0.0000000051
 Unscaled step for mode   67=        0.0000000158
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=        0.0000000101
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000022
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=       -0.0000000094
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000059
 Unscaled step for mode   81=       -0.0000000162
 Unscaled step for mode   82=        0.0000000157
 Unscaled step for mode   83=       -0.0000000037
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=       -0.0000000282
 Unscaled step for mode   86=       -0.0000000085
 Unscaled step for mode   87=       -0.0000000135
 Unscaled step for mode   88=       -0.0000000207
 Unscaled step for mode   89=        0.0000000348
 Unscaled step for mode   90=       -0.0000000375
 Unscaled step for mode   91=        0.0000000505
 Unscaled step for mode   92=        0.0000000647
 Unscaled step for mode   93=        0.0000000637
 Unscaled step for mode   94=        0.0000000135
 Unscaled step for mode   95=       -0.0000000383
 Unscaled step for mode   96=       -0.0000000264
 Unscaled step for mode   97=        0.0000000738
 Unscaled step for mode   98=        0.0000000135
 Unscaled step for mode   99=        0.0000000508
 Unscaled step for mode  100=        0.0000000435
 Unscaled step for mode  101=        0.0000003389
 Unscaled step for mode  102=        0.0000000033
 Unscaled step for mode  103=        0.0000000910
 Unscaled step for mode  104=        0.0000000592
 Unscaled step for mode  105=        0.0000002635
 Unscaled step for mode  106=       -0.0000002544
 Unscaled step for mode  107=        0.0000010548
 Unscaled step for mode  108=        0.0000014368
 Unscaled step for mode  109=       -0.0000004117
 Unscaled step for mode  110=       -0.0000007725
 Unscaled step for mode  111=       -0.0000000499
 Unscaled step for mode  112=        0.0036194100
 Unscaled step for mode  113=       -0.0165694707
 Unscaled step for mode  114=        0.2675390764
 Largest modulus ratio of non-zero e/values=           235.5534188    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.119414E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.156711E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.861128E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.876035E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.106212E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.412896E-14    0.974300E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172597E-06    0.746668E+03  0.231157E-09 0.100000E-04    0.990133E+00
   8   -0.413512E-06    0.674059E+03  0.613466E-09 0.100000E-04    0.947953E+00
   9   -0.738131E-06    0.630681E+03  0.117037E-08 0.100000E-04    0.943356E+00
  10   -0.257676E-07    0.600728E+03  0.428939E-10 0.100000E-04    0.475647E+00
  11    0.214042E-07    0.586369E+03 -0.365029E-10 0.100000E-04    0.828942E+00
  12   -0.105127E-05    0.578889E+03  0.181602E-08 0.100000E-04    0.940332E+00
  13    0.521792E-07    0.564917E+03 -0.923663E-10 0.100000E-04    0.926009E+00
  14    0.439174E-06    0.487455E+03 -0.900954E-09 0.100000E-04    0.931127E+00
  15   -0.440445E-06    0.460611E+03  0.956219E-09 0.100000E-04    0.936804E+00
  16   -0.121759E-06    0.459773E+03  0.264824E-09 0.100000E-04    0.811159E+00
  17   -0.582267E-06    0.441666E+03  0.131834E-08 0.100000E-04    0.904692E+00
  18   -0.425648E-06    0.429381E+03  0.991308E-09 0.100000E-04    0.929077E+00
  19   -0.152302E-06    0.421906E+03  0.360985E-09 0.100000E-04    0.648038E+00
  20   -0.384964E-06    0.407947E+03  0.943661E-09 0.100000E-04    0.920487E+00
  21   -0.433335E-06    0.396338E+03  0.109335E-08 0.100000E-04    0.916824E+00
  22   -0.659317E-06    0.387471E+03  0.170159E-08 0.100000E-04    0.988243E+00
  23    0.822332E-06    0.370029E+03 -0.222234E-08 0.100000E-04    0.920772E+00
  24   -0.444159E-06    0.360568E+03  0.123183E-08 0.100000E-04    0.972941E+00
  25   -0.846730E-07    0.349346E+03  0.242376E-09 0.109000E-04    0.413230E-01
  26   -0.703650E-07    0.335296E+03  0.209859E-09 0.100000E-04    0.349722E+01
  27    0.369188E-06    0.329302E+03 -0.112112E-08 0.100000E-04    0.888863E+00
  28   -0.392384E-06    0.321831E+03  0.121922E-08 0.100000E-04    0.895451E+00
  29   -0.714849E-07    0.319125E+03  0.224003E-09 0.100000E-04    0.491217E+00
  30   -0.140349E-05    0.309396E+03  0.453624E-08 0.100000E-04    0.960614E+00
  31   -0.105499E-05    0.300818E+03  0.350707E-08 0.100000E-04    0.953578E+00
  32   -0.126708E-05    0.290601E+03  0.436021E-08 0.100000E-04    0.966986E+00
  33   -0.141622E-07    0.278992E+03  0.507622E-10 0.100000E-04    0.219189E+00
  34   -0.559132E-07    0.272735E+03  0.205009E-09 0.100000E-04    0.121907E+02
  35    0.106532E-05    0.268537E+03 -0.396713E-08 0.100000E-04    0.966460E+00
  36    0.129084E-05    0.264953E+03 -0.487194E-08 0.100000E-04    0.981097E+00
  37   -0.493570E-06    0.263835E+03  0.187075E-08 0.100000E-04    0.894367E+00
  38   -0.150120E-06    0.253217E+03  0.592853E-09 0.100000E-04    0.986577E+00
  39   -0.370621E-06    0.241573E+03  0.153420E-08 0.100000E-04    0.867572E+00
  40   -0.130590E-05    0.240774E+03  0.542375E-08 0.100000E-04    0.984180E+00
  41   -0.102394E-05    0.234011E+03  0.437559E-08 0.100000E-04    0.994343E+00
  42   -0.175221E-05    0.227519E+03  0.770139E-08 0.100000E-04    0.962053E+00
  43   -0.277444E-07    0.217132E+03  0.127777E-09 0.100000E-04    0.867179E+00
  44   -0.202389E-05    0.214892E+03  0.941817E-08 0.100000E-04    0.965210E+00
  45    0.720127E-06    0.213261E+03 -0.337674E-08 0.100000E-04    0.984902E+00
  46    0.110013E-05    0.207675E+03 -0.529734E-08 0.100000E-04    0.980832E+00
  47   -0.769895E-06    0.203000E+03  0.379260E-08 0.100000E-04    0.963489E+00
  48   -0.121742E-05    0.195435E+03  0.622928E-08 0.100000E-04    0.925342E+00
  49    0.961791E-06    0.194841E+03 -0.493630E-08 0.100000E-04    0.947317E+00
  50    0.129731E-05    0.191361E+03 -0.677936E-08 0.100000E-04    0.879554E+00
  51    0.222323E-06    0.182958E+03 -0.121516E-08 0.100000E-04    0.865377E+00
  52   -0.602141E-06    0.174356E+03  0.345351E-08 0.100000E-04    0.925551E+00
  53    0.107963E-06    0.172337E+03 -0.626468E-09 0.100000E-04    0.659799E+00
  54   -0.230421E-06    0.168215E+03  0.136980E-08 0.100000E-04    0.927474E+00
  55    0.872694E-06    0.163222E+03 -0.534665E-08 0.100000E-04    0.995280E+00
  56    0.138021E-05    0.156875E+03 -0.879818E-08 0.100000E-04    0.968008E+00
  57   -0.358130E-06    0.154911E+03  0.231185E-08 0.100000E-04    0.830093E+00
  58    0.934870E-06    0.152256E+03 -0.614013E-08 0.100000E-04    0.998041E+00
  59   -0.662297E-06    0.146667E+03  0.451567E-08 0.100000E-04    0.994755E+00
  60    0.187655E-06    0.143348E+03 -0.130908E-08 0.100000E-04    0.741130E+00
  61   -0.917991E-06    0.138092E+03  0.664769E-08 0.100000E-04    0.823729E+00
  62   -0.965408E-06    0.135873E+03  0.710521E-08 0.100000E-04    0.965012E+00
  63    0.206117E-05    0.130292E+03 -0.158197E-07 0.100000E-04    0.915034E+00
  64   -0.914966E-07    0.128839E+03  0.710160E-09 0.100000E-04    0.448399E+00
  65    0.130399E-05    0.126898E+03 -0.102758E-07 0.100000E-04    0.881638E+00
  66   -0.630654E-06    0.124076E+03  0.508280E-08 0.100000E-04    0.882932E+00
  67   -0.189211E-05    0.120011E+03  0.157662E-07 0.100000E-04    0.957028E+00
  68    0.451105E-06    0.118167E+03 -0.381751E-08 0.100000E-04    0.927612E+00
  69    0.285626E-07    0.116839E+03 -0.244462E-09 0.100000E-04    0.307722E+00
  70    0.136503E-05    0.110362E+03 -0.123686E-07 0.100000E-04    0.940495E+00
  71   -0.697627E-06    0.106827E+03  0.653047E-08 0.100000E-04    0.914557E+00
  72   -0.105537E-05    0.104453E+03  0.101038E-07 0.100000E-04    0.835879E+00
  73    0.157049E-06    0.102855E+03 -0.152690E-08 0.100000E-04    0.762612E+00
  74    0.752672E-07    0.995126E+02 -0.756359E-09 0.100000E-04    0.933830E+00
  75   -0.213296E-06    0.960908E+02  0.221974E-08 0.100000E-04    0.124471E+01
  76    0.212811E-06    0.941038E+02 -0.226145E-08 0.100000E-04    0.861667E+00
  77   -0.155644E-05    0.919694E+02  0.169235E-07 0.100000E-04    0.953030E+00
  78    0.857592E-06    0.912309E+02 -0.940024E-08 0.100000E-04    0.964553E+00
  79   -0.724971E-06    0.884202E+02  0.819916E-08 0.100000E-04    0.982360E+00
  80   -0.504595E-06    0.856084E+02  0.589422E-08 0.100000E-04    0.911573E+00
  81    0.130889E-05    0.808346E+02 -0.161922E-07 0.100000E-04    0.990496E+00
  82   -0.126154E-05    0.805005E+02  0.156712E-07 0.100000E-04    0.930650E+00
  83    0.291569E-06    0.779572E+02 -0.374012E-08 0.100000E-04    0.764374E+00
  84    0.352358E-06    0.732854E+02 -0.480802E-08 0.100000E-04    0.601211E+00
  85    0.204801E-05    0.725573E+02 -0.282262E-07 0.100000E-04    0.885748E+00
  86    0.577025E-06    0.679181E+02 -0.849590E-08 0.100000E-04    0.841847E+00
  87    0.871246E-06    0.647545E+02 -0.134546E-07 0.100000E-04    0.802870E+00
  88    0.127107E-05    0.613503E+02 -0.207182E-07 0.100000E-04    0.968322E+00
  89   -0.208330E-05    0.598372E+02  0.348162E-07 0.100000E-04    0.938791E+00
  90    0.222491E-05    0.594003E+02 -0.374563E-07 0.100000E-04    0.972252E+00
  91   -0.293517E-05    0.581364E+02  0.504878E-07 0.100000E-04    0.918195E+00
  92   -0.361446E-05    0.558748E+02  0.646886E-07 0.100000E-04    0.945587E+00
  93   -0.333850E-05    0.524460E+02  0.636559E-07 0.100000E-04    0.980692E+00
  94   -0.704412E-06    0.520304E+02  0.135385E-07 0.100000E-04    0.817407E+00
  95    0.192567E-05    0.502402E+02 -0.383293E-07 0.100000E-04    0.878705E+00
  96    0.121783E-05    0.461587E+02 -0.263836E-07 0.100000E-04    0.922206E+00
  97   -0.320015E-05    0.433400E+02  0.738384E-07 0.100000E-04    0.879901E+00
  98   -0.551017E-06    0.409162E+02  0.134670E-07 0.100000E-04    0.662543E+00
  99   -0.192333E-05    0.378680E+02  0.507903E-07 0.100000E-04    0.808191E+00
 100   -0.157464E-05    0.362085E+02  0.434880E-07 0.100000E-04    0.886440E+00
 101   -0.109369E-04    0.322689E+02  0.338931E-06 0.100000E-04    0.937467E+00
 102   -0.957000E-07    0.289013E+02  0.331126E-08 0.100000E-04    0.253733E+00
 103   -0.258891E-05    0.284526E+02  0.909904E-07 0.100000E-04    0.956821E+00
 104   -0.155565E-05    0.262987E+02  0.591533E-07 0.100000E-04    0.752792E+00
 105   -0.614896E-05    0.233330E+02  0.263530E-06 0.100000E-04    0.925697E+00
 106    0.542459E-05    0.213267E+02 -0.254356E-06 0.100000E-04    0.957660E+00
 107   -0.209415E-04    0.198540E+02  0.105477E-05 0.100000E-04    0.918553E+00
 108   -0.236436E-04    0.164559E+02  0.143679E-05 0.100000E-04    0.928164E+00
 109    0.572571E-05    0.139086E+02 -0.411666E-06 0.100000E-04    0.947498E+00
 110    0.945828E-05    0.122433E+02 -0.772526E-06 0.100000E-04    0.847315E+00
 111    0.503648E-06    0.100903E+02 -0.499138E-07 0.100000E-04    0.461671E+00
 112   -0.327971E-01    0.906134E+01  0.100000E-04 0.100000E-04    0.604381E+00
 113    0.952503E-01    0.574696E+01 -0.232296E-04 0.232296E-04    0.165926E+00
 114    0.913439E+00    0.316985E+01  0.100000E-04 0.100000E-04    0.800305E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2322957982E-04    0.2675390764    

 Beginning of optimization cycle  605.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994593273
 potential> RMS force:                                               0.0860714389   |gradient|=.9189914882    
 Eigenvalues of the Hessian matrix:
   746.67197    674.05766    630.68447    600.72601    586.36860    578.88915 
   564.91235    487.45407    460.60975    459.77281    441.66541    429.38195 
   421.90531    407.94567    396.33722    387.46913    370.02977    360.56797 
   349.34544    335.29719    329.30334    321.83047    319.12548    309.39436 
   300.81776    290.60096    278.99348    272.73531    268.53763    264.95352 
   263.83545    253.21656    241.57331    240.77405    234.01169    227.51916 
   217.13287    214.89198    213.26088    207.67565    202.99911    195.43378 
   194.84109    191.36195    182.95859    174.35674    172.33676    168.21543 
   163.22207    156.87432    154.91114    152.25546    146.66589    143.34791 
   138.09245    135.87321    130.29154    128.83967    126.89834    124.07502 
   120.01121    118.16745    116.83816    110.36271    106.82634    104.45321 
   102.85533     99.51249     96.09060     94.10358     91.96901     91.23112 
    88.41963     85.60872     80.83467     80.50118     77.95696     73.28520 
    72.55668     67.91777     64.75397     61.34981     59.83698     59.40044 
    58.13630     55.87454     52.44592     52.02994     50.24085     46.15828 
    43.34056     40.91633     37.86795     36.20809     32.26849     28.90168 
    28.45266     26.29899     23.33293     21.32695     19.85393     16.45576 
    13.90868     12.24333     10.09027      9.06295      5.74717      3.16954 
overlap for current and previous eigenvector    109 is         0.9999999874
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999666
overlap for current and previous eigenvector    112 is         0.9999999267
overlap for current and previous eigenvector    113 is         0.9999999232
overlap for current and previous eigenvector    114 is         0.9999999616
J1,K1,R1,R2,RAT=   7   7    0.4084843126E-02     1.995904297        0.9959042968    
FOB,PFOB,DIAG,PSTEP=   -0.1718924094E-06   -0.1725974467E-06     746.6719677        0.2311569088E-09
J1,K1,R1,R2,RAT=   8   8   -0.4492502505E-01     2.044929396        0.9550749750    
FOB,PFOB,DIAG,PSTEP=   -0.4320893053E-06   -0.4135122956E-06     674.0576625        0.6134659018E-09
J1,K1,R1,R2,RAT=   9   9   -0.4796910478E-01     2.047959193        0.9520308952    
FOB,PFOB,DIAG,PSTEP=   -0.7735386022E-06   -0.7381309460E-06     630.6844692        0.1170370669E-08
J1,K1,R1,R2,RAT=  10  10   -0.9352293311         2.935237055        0.6477066887E-01
FOB,PFOB,DIAG,PSTEP=   -0.4986612781E-07   -0.2576760288E-07     600.7260064        0.4289393682E-10
J1,K1,R1,R2,RAT=  11  11   -0.1221884643         2.122190612        0.8778115357    
FOB,PFOB,DIAG,PSTEP=    0.2401949061E-07    0.2140415286E-07     586.3685984       -0.3650285832E-10
J1,K1,R1,R2,RAT= 109 109   -0.4403865668E-01     2.044030045        0.9559613433    
FOB,PFOB,DIAG,PSTEP=    0.5977868103E-05    0.5725714253E-05     13.90868337       -0.4116664932E-06
J1,K1,R1,R2,RAT= 110 110   -0.1490970352         2.149094176        0.8509029648    
FOB,PFOB,DIAG,PSTEP=    0.1086847921E-04    0.9458276245E-05     12.24332510       -0.7725262287E-06
J1,K1,R1,R2,RAT= 111 111    -1.131825662         3.131839878        0.1318256620    
FOB,PFOB,DIAG,PSTEP=    0.1073685011E-05    0.5036476865E-06     10.09027490       -0.4991381419E-07
J1,K1,R1,R2,RAT= 112 112    0.3636518885         723.3992502        0.6363481115    
FOB,PFOB,DIAG,PSTEP=   -0.3276417614E-01   -0.3279713372E-01     9.062949656        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7830290674         1427.708239        0.2169709326    
FOB,PFOB,DIAG,PSTEP=    0.9535482254E-01    0.9525028484E-01     5.747165633       -0.2322957982E-04
J1,K1,R1,R2,RAT= 114 114    0.1514915350        -57638.74328        0.8485084650    
FOB,PFOB,DIAG,PSTEP=    0.9134436602        0.9134388586         3.169539124        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00003 
     0.00001      0.00001      0.00000     -0.03276      0.09535      0.91344 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3824221370
 Log product of positive Hessian eigenvalues =          519.0717248035
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1695391241
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000075
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000017
 Unscaled step for mode   61=        0.0000000078
 Unscaled step for mode   62=        0.0000000073
 Unscaled step for mode   63=       -0.0000000170
 Unscaled step for mode   64=        0.0000000014
 Unscaled step for mode   65=       -0.0000000114
 Unscaled step for mode   66=        0.0000000057
 Unscaled step for mode   67=        0.0000000163
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000130
 Unscaled step for mode   71=        0.0000000070
 Unscaled step for mode   72=        0.0000000089
 Unscaled step for mode   73=       -0.0000000019
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=        0.0000000009
 Unscaled step for mode   76=       -0.0000000026
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=        0.0000000096
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=       -0.0000000163
 Unscaled step for mode   82=        0.0000000166
 Unscaled step for mode   83=       -0.0000000031
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=       -0.0000000313
 Unscaled step for mode   86=       -0.0000000098
 Unscaled step for mode   87=       -0.0000000162
 Unscaled step for mode   88=       -0.0000000201
 Unscaled step for mode   89=        0.0000000367
 Unscaled step for mode   90=       -0.0000000382
 Unscaled step for mode   91=        0.0000000540
 Unscaled step for mode   92=        0.0000000677
 Unscaled step for mode   93=        0.0000000646
 Unscaled step for mode   94=        0.0000000117
 Unscaled step for mode   95=       -0.0000000429
 Unscaled step for mode   96=       -0.0000000282
 Unscaled step for mode   97=        0.0000000820
 Unscaled step for mode   98=        0.0000000192
 Unscaled step for mode   99=        0.0000000611
 Unscaled step for mode  100=        0.0000000481
 Unscaled step for mode  101=        0.0000003573
 Unscaled step for mode  102=        0.0000000114
 Unscaled step for mode  103=        0.0000000944
 Unscaled step for mode  104=        0.0000000491
 Unscaled step for mode  105=        0.0000002811
 Unscaled step for mode  106=       -0.0000002629
 Unscaled step for mode  107=        0.0000011330
 Unscaled step for mode  108=        0.0000015283
 Unscaled step for mode  109=       -0.0000004298
 Unscaled step for mode  110=       -0.0000008877
 Unscaled step for mode  111=       -0.0000001064
 Unscaled step for mode  112=        0.0036151307
 Unscaled step for mode  113=       -0.0165870611
 Unscaled step for mode  114=        0.2675626909
 Largest modulus ratio of non-zero e/values=           235.5774573    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.527573E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.160955E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.286792E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.408311E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.470776E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.333646E-14    0.974300E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171892E-06    0.746672E+03  0.230211E-09 0.100000E-04    0.995904E+00
   8   -0.432089E-06    0.674058E+03  0.641027E-09 0.100000E-04    0.955075E+00
   9   -0.773539E-06    0.630684E+03  0.122651E-08 0.100000E-04    0.952031E+00
  10   -0.498661E-07    0.600726E+03  0.830098E-10 0.109000E-04    0.647707E-01
  11    0.240195E-07    0.586369E+03 -0.409631E-10 0.100000E-04    0.877812E+00
  12   -0.110596E-05    0.578889E+03  0.191048E-08 0.100000E-04    0.947983E+00
  13    0.488715E-07    0.564912E+03 -0.865116E-10 0.100000E-04    0.936607E+00
  14    0.466847E-06    0.487454E+03 -0.957725E-09 0.100000E-04    0.936989E+00
  15   -0.464449E-06    0.460610E+03  0.100834E-08 0.100000E-04    0.945500E+00
  16   -0.145200E-06    0.459773E+03  0.315808E-09 0.100000E-04    0.807480E+00
  17   -0.633473E-06    0.441665E+03  0.143428E-08 0.100000E-04    0.912057E+00
  18   -0.450926E-06    0.429382E+03  0.105017E-08 0.100000E-04    0.940614E+00
  19   -0.118445E-06    0.421905E+03  0.280738E-09 0.100000E-04    0.777699E+00
  20   -0.412055E-06    0.407946E+03  0.101007E-08 0.100000E-04    0.929627E+00
  21   -0.465192E-06    0.396337E+03  0.117373E-08 0.100000E-04    0.926484E+00
  22   -0.663963E-06    0.387469E+03  0.171359E-08 0.100000E-04    0.992953E+00
  23    0.880180E-06    0.370030E+03 -0.237867E-08 0.100000E-04    0.929654E+00
  24   -0.452947E-06    0.360568E+03  0.125621E-08 0.100000E-04    0.980214E+00
  25   -0.498130E-07    0.349345E+03  0.142590E-09 0.100000E-04    0.588298E+00
  26   -0.210283E-07    0.335297E+03  0.627154E-10 0.100000E-04    0.298843E+00
  27    0.407382E-06    0.329303E+03 -0.123710E-08 0.100000E-04    0.896545E+00
  28   -0.429374E-06    0.321830E+03  0.133416E-08 0.100000E-04    0.905729E+00
  29   -0.131684E-06    0.319125E+03  0.412641E-09 0.109000E-04    0.157875E+00
  30   -0.144941E-05    0.309394E+03  0.468466E-08 0.100000E-04    0.967285E+00
  31   -0.109725E-05    0.300818E+03  0.364756E-08 0.100000E-04    0.959944E+00
  32   -0.130122E-05    0.290601E+03  0.447770E-08 0.100000E-04    0.973054E+00
  33   -0.567874E-07    0.278993E+03  0.203544E-09 0.100000E-04    0.200976E+01
  34   -0.123549E-07    0.272735E+03  0.453001E-10 0.100000E-04    0.220964E+00
  35    0.109282E-05    0.268538E+03 -0.406953E-08 0.100000E-04    0.974188E+00
  36    0.131046E-05    0.264954E+03 -0.494602E-08 0.100000E-04    0.984794E+00
  37   -0.542364E-06    0.263835E+03  0.205569E-08 0.100000E-04    0.901140E+00
  38   -0.147367E-06    0.253217E+03  0.581982E-09 0.100000E-04    0.981661E+00
  39   -0.336029E-06    0.241573E+03  0.139100E-08 0.100000E-04    0.906663E+00
  40   -0.132164E-05    0.240774E+03  0.548913E-08 0.100000E-04    0.987944E+00
  41   -0.101792E-05    0.234012E+03  0.434986E-08 0.100000E-04    0.994117E+00
  42   -0.180560E-05    0.227519E+03  0.793605E-08 0.100000E-04    0.969529E+00
  43   -0.291505E-07    0.217133E+03  0.134252E-09 0.100000E-04    0.949318E+00
  44   -0.208160E-05    0.214892E+03  0.968671E-08 0.100000E-04    0.971486E+00
  45    0.708616E-06    0.213261E+03 -0.332277E-08 0.100000E-04    0.984015E+00
  46    0.111802E-05    0.207676E+03 -0.538348E-08 0.100000E-04    0.983737E+00
  47   -0.794264E-06    0.202999E+03  0.391265E-08 0.100000E-04    0.968349E+00
  48   -0.129580E-05    0.195434E+03  0.663038E-08 0.100000E-04    0.935614E+00
  49    0.100737E-05    0.194841E+03 -0.517022E-08 0.100000E-04    0.952609E+00
  50    0.144398E-05    0.191362E+03 -0.754580E-08 0.100000E-04    0.886942E+00
  51    0.251020E-06    0.182959E+03 -0.137201E-08 0.100000E-04    0.870919E+00
  52   -0.640632E-06    0.174357E+03  0.367426E-08 0.100000E-04    0.936077E+00
  53    0.870054E-07    0.172337E+03 -0.504857E-09 0.100000E-04    0.805876E+00
  54   -0.217778E-06    0.168215E+03  0.129464E-08 0.100000E-04    0.945126E+00
  55    0.866988E-06    0.163222E+03 -0.531171E-08 0.100000E-04    0.993462E+00
  56    0.141504E-05    0.156874E+03 -0.902024E-08 0.100000E-04    0.974762E+00
  57   -0.418958E-06    0.154911E+03  0.270451E-08 0.100000E-04    0.830151E+00
  58    0.933039E-06    0.152255E+03 -0.612811E-08 0.100000E-04    0.998041E+00
  59   -0.662559E-06    0.146666E+03  0.451747E-08 0.100000E-04    0.999604E+00
  60    0.241095E-06    0.143348E+03 -0.168189E-08 0.100000E-04    0.715219E+00
  61   -0.108183E-05    0.138092E+03  0.783410E-08 0.100000E-04    0.821526E+00
  62   -0.989882E-06    0.135873E+03  0.728533E-08 0.100000E-04    0.974649E+00
  63    0.221974E-05    0.130292E+03 -0.170367E-07 0.100000E-04    0.923068E+00
  64   -0.185325E-06    0.128840E+03  0.143842E-08 0.109000E-04    0.254820E-01
  65    0.144890E-05    0.126898E+03 -0.114178E-07 0.100000E-04    0.888869E+00
  66   -0.702837E-06    0.124075E+03  0.566461E-08 0.100000E-04    0.885542E+00
  67   -0.196030E-05    0.120011E+03  0.163343E-07 0.100000E-04    0.963964E+00
  68    0.480566E-06    0.118167E+03 -0.406682E-08 0.100000E-04    0.934693E+00
  69    0.837005E-07    0.116838E+03 -0.716380E-09 0.100000E-04    0.930431E+00
  70    0.143510E-05    0.110363E+03 -0.130035E-07 0.100000E-04    0.948666E+00
  71   -0.751636E-06    0.106826E+03  0.703605E-08 0.100000E-04    0.922582E+00
  72   -0.928083E-06    0.104453E+03  0.888516E-08 0.100000E-04    0.879390E+00
  73    0.197305E-06    0.102855E+03 -0.191828E-08 0.100000E-04    0.743673E+00
  74    0.341560E-07    0.995125E+02 -0.343234E-09 0.100000E-04    0.453796E+00
  75   -0.890851E-07    0.960906E+02  0.927095E-09 0.100000E-04    0.417658E+00
  76    0.240251E-06    0.941036E+02 -0.255305E-08 0.100000E-04    0.871059E+00
  77    0.150000E-05    0.919690E+02 -0.163098E-07 0.100000E-04    0.963733E+00
  78   -0.879381E-06    0.912311E+02  0.963905E-08 0.100000E-04    0.974592E+00
  79   -0.733720E-06    0.884196E+02  0.829816E-08 0.100000E-04    0.987932E+00
  80   -0.546810E-06    0.856087E+02  0.638732E-08 0.100000E-04    0.916339E+00
  81    0.131703E-05    0.808347E+02 -0.162928E-07 0.100000E-04    0.993784E+00
  82   -0.134002E-05    0.805012E+02  0.166460E-07 0.100000E-04    0.937790E+00
  83    0.242208E-06    0.779570E+02 -0.310695E-08 0.100000E-04    0.830706E+00
  84    0.545756E-06    0.732852E+02 -0.744702E-08 0.100000E-04    0.451130E+00
  85    0.226996E-05    0.725567E+02 -0.312854E-07 0.100000E-04    0.891625E+00
  86    0.662705E-06    0.679178E+02 -0.975746E-08 0.100000E-04    0.851515E+00
  87    0.105121E-05    0.647540E+02 -0.162338E-07 0.100000E-04    0.793445E+00
  88    0.123307E-05    0.613498E+02 -0.200990E-07 0.100000E-04    0.970103E+00
  89   -0.219433E-05    0.598370E+02  0.366718E-07 0.100000E-04    0.946705E+00
  90    0.226988E-05    0.594004E+02 -0.382132E-07 0.100000E-04    0.979791E+00
  91   -0.314136E-05    0.581363E+02  0.540344E-07 0.100000E-04    0.929754E+00
  92   -0.378249E-05    0.558745E+02  0.676961E-07 0.100000E-04    0.953513E+00
  93   -0.338659E-05    0.524459E+02  0.645730E-07 0.100000E-04    0.985595E+00
  94   -0.607683E-06    0.520299E+02  0.116795E-07 0.100000E-04    0.862679E+00
  95    0.215329E-05    0.502409E+02 -0.428594E-07 0.100000E-04    0.881798E+00
  96    0.130217E-05    0.461583E+02 -0.282109E-07 0.100000E-04    0.930752E+00
  97   -0.355334E-05    0.433406E+02  0.819864E-07 0.100000E-04    0.889638E+00
  98   -0.785069E-06    0.409163E+02  0.191872E-07 0.100000E-04    0.575237E+00
  99   -0.231218E-05    0.378680E+02  0.610589E-07 0.100000E-04    0.797826E+00
 100   -0.174224E-05    0.362081E+02  0.481173E-07 0.100000E-04    0.893561E+00
 101   -0.115288E-04    0.322685E+02  0.357276E-06 0.100000E-04    0.945888E+00
 102   -0.328630E-06    0.289017E+02  0.113706E-07 0.100000E-04    0.143393E+01
 103   -0.268625E-05    0.284527E+02  0.944111E-07 0.100000E-04    0.962404E+00
 104   -0.129098E-05    0.262990E+02  0.490884E-07 0.100000E-04    0.829840E+00
 105   -0.655931E-05    0.233329E+02  0.281118E-06 0.100000E-04    0.933265E+00
 106    0.560670E-05    0.213270E+02 -0.262892E-06 0.100000E-04    0.966429E+00
 107   -0.224943E-04    0.198539E+02  0.113299E-05 0.100000E-04    0.925846E+00
 108   -0.251496E-04    0.164558E+02  0.152831E-05 0.100000E-04    0.936304E+00
 109    0.597787E-05    0.139087E+02 -0.429794E-06 0.100000E-04    0.955961E+00
 110    0.108685E-04    0.122433E+02 -0.887706E-06 0.100000E-04    0.850903E+00
 111    0.107369E-05    0.100903E+02 -0.106408E-06 0.109000E-04    0.131826E+00
 112   -0.327642E-01    0.906295E+01  0.100000E-04 0.100000E-04    0.636348E+00
 113    0.953548E-01    0.574717E+01 -0.209275E-04 0.209275E-04    0.216971E+00
 114    0.913444E+00    0.316954E+01  0.100000E-04 0.100000E-04    0.848508E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2092754939E-04    0.2675626909    

 Beginning of optimization cycle  606.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994525142
 potential> RMS force:                                               0.0860729182   |gradient|=.9190072826    
 Eigenvalues of the Hessian matrix:
   746.67589    674.05643    630.68746    600.72367    586.36805    578.88939 
   564.90838    487.45375    460.60844    459.77225    441.66482    429.38320 
   421.90470    407.94405    396.33667    387.46770    370.03023    360.56813 
   349.34468    335.29783    329.30421    321.83025    319.12610    309.39321 
   300.81714    290.60101    278.99493    272.73576    268.53784    264.95385 
   263.83604    253.21593    241.57356    240.77447    234.01245    227.51946 
   217.13356    214.89212    213.26059    207.67614    202.99869    195.43296 
   194.84145    191.36242    182.95931    174.35746    172.33699    168.21570 
   163.22174    156.87409    154.91165    152.25528    146.66529    143.34752 
   138.09297    135.87320    130.29129    128.83988    126.89854    124.07391 
   120.01139    118.16760    116.83775    110.36295    106.82619    104.45345 
   102.85540     99.51243     96.09040     94.10336     91.96859     91.23133 
    88.41912     85.60902     80.83474     80.50185     77.95674     73.28501 
    72.55612     67.91749     64.75351     61.34933     59.83674     59.40054 
    58.13627     55.87433     52.44582     52.02957     50.24144     46.15787 
    43.34112     40.91644     37.86791     36.20777     32.26812     28.90202 
    28.45271     26.29927     23.33283     21.32720     19.85382     16.45566 
    13.90874     12.24334     10.09020      9.06446      5.74735      3.16924 
overlap for current and previous eigenvector    109 is         0.9999999891
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999722
overlap for current and previous eigenvector    112 is         0.9999999370
overlap for current and previous eigenvector    113 is         0.9999999326
overlap for current and previous eigenvector    114 is         0.9999999668
J1,K1,R1,R2,RAT=   7   7   -0.1111682735E-01     2.011106310        0.9888831727    
FOB,PFOB,DIAG,PSTEP=   -0.1738033177E-06   -0.1718924094E-06     746.6758941        0.2302114139E-09
J1,K1,R1,R2,RAT=   8   8    0.5152628949E-01     1.948477364        0.9484737105    
FOB,PFOB,DIAG,PSTEP=   -0.4098253873E-06   -0.4320893053E-06     674.0564311        0.6410272137E-09
J1,K1,R1,R2,RAT=   9   9    0.5566252792E-01     1.944327977        0.9443279771    
FOB,PFOB,DIAG,PSTEP=   -0.7304812837E-06   -0.7735386022E-06     630.6874634        0.1226506502E-08
J1,K1,R1,R2,RAT=  10  10    0.5590041216         1.441003643        0.4409958784    
FOB,PFOB,DIAG,PSTEP=   -0.2199086506E-07   -0.4986612781E-07     600.7236742        0.8300977032E-10
J1,K1,R1,R2,RAT=  11  11    0.1785069645         1.821494897        0.8214930355    
FOB,PFOB,DIAG,PSTEP=    0.1973184825E-07    0.2401949061E-07     586.3680526       -0.4096312572E-10
J1,K1,R1,R2,RAT= 109 109    0.4838941324E-01     1.951602154        0.9516021545    
FOB,PFOB,DIAG,PSTEP=    0.5688601353E-05    0.5977868103E-05     13.90874201       -0.4297939600E-06
J1,K1,R1,R2,RAT= 110 110    0.1541719921         1.845825037        0.8458250374    
FOB,PFOB,DIAG,PSTEP=    0.9192861628E-05    0.1086847921E-04     12.24334329       -0.8877064945E-06
J1,K1,R1,R2,RAT= 111 111    0.5160229270         1.483991647        0.4839770730    
FOB,PFOB,DIAG,PSTEP=    0.5196429663E-06    0.1073685011E-05     10.09020138       -0.1064079048E-06
J1,K1,R1,R2,RAT= 112 112    0.4025545275         722.5129272        0.5974454725    
FOB,PFOB,DIAG,PSTEP=   -0.3272768676E-01   -0.3276417614E-01     9.064455517        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8393021569         1586.414802        0.1606978431    
FOB,PFOB,DIAG,PSTEP=    0.9545577202E-01    0.9535482254E-01     5.747346170       -0.2092754939E-04
J1,K1,R1,R2,RAT= 114 114    0.2099844869        -57644.45852        0.7900155131    
FOB,PFOB,DIAG,PSTEP=    0.9134503151        0.9134436602         3.169244750        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03273      0.09546      0.91345 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3824005542
 Log product of positive Hessian eigenvalues =          519.0718000247
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1692447500
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=       -0.0000000064
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=       -0.0000000156
 Unscaled step for mode   64=        0.0000000006
 Unscaled step for mode   65=       -0.0000000101
 Unscaled step for mode   66=        0.0000000050
 Unscaled step for mode   67=        0.0000000156
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000002
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=        0.0000000103
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000024
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=       -0.0000000170
 Unscaled step for mode   78=       -0.0000000093
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000058
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000155
 Unscaled step for mode   83=       -0.0000000038
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000277
 Unscaled step for mode   86=       -0.0000000082
 Unscaled step for mode   87=       -0.0000000129
 Unscaled step for mode   88=       -0.0000000207
 Unscaled step for mode   89=        0.0000000345
 Unscaled step for mode   90=       -0.0000000372
 Unscaled step for mode   91=        0.0000000494
 Unscaled step for mode   92=        0.0000000639
 Unscaled step for mode   93=        0.0000000632
 Unscaled step for mode   94=        0.0000000137
 Unscaled step for mode   95=       -0.0000000377
 Unscaled step for mode   96=       -0.0000000258
 Unscaled step for mode   97=        0.0000000722
 Unscaled step for mode   98=        0.0000000126
 Unscaled step for mode   99=        0.0000000490
 Unscaled step for mode  100=        0.0000000426
 Unscaled step for mode  101=       -0.0000003340
 Unscaled step for mode  102=        0.0000000015
 Unscaled step for mode  103=        0.0000000904
 Unscaled step for mode  104=        0.0000000619
 Unscaled step for mode  105=        0.0000002595
 Unscaled step for mode  106=       -0.0000002520
 Unscaled step for mode  107=        0.0000010369
 Unscaled step for mode  108=        0.0000014154
 Unscaled step for mode  109=       -0.0000004090
 Unscaled step for mode  110=       -0.0000007508
 Unscaled step for mode  111=       -0.0000000515
 Unscaled step for mode  112=        0.0036105048
 Unscaled step for mode  113=       -0.0166040904
 Unscaled step for mode  114=        0.2675859113
 Largest modulus ratio of non-zero e/values=           235.6005777    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.581566E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.188445E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.149123E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.974698E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.140296E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.480974E-14    0.974300E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173803E-06    0.746676E+03  0.232769E-09 0.100000E-04    0.988883E+00
   8   -0.409825E-06    0.674056E+03  0.607999E-09 0.100000E-04    0.948474E+00
   9   -0.730481E-06    0.630687E+03  0.115823E-08 0.100000E-04    0.944328E+00
  10   -0.219909E-07    0.600724E+03  0.366073E-10 0.100000E-04    0.440996E+00
  11    0.197318E-07    0.586368E+03 -0.336510E-10 0.100000E-04    0.821493E+00
  12   -0.104075E-05    0.578889E+03  0.179783E-08 0.100000E-04    0.941037E+00
  13    0.524992E-07    0.564908E+03 -0.929340E-10 0.100000E-04    0.925769E+00
  14    0.434853E-06    0.487454E+03 -0.892091E-09 0.100000E-04    0.931468E+00
  15   -0.435344E-06    0.460608E+03  0.945149E-09 0.100000E-04    0.937333E+00
  16   -0.117300E-06    0.459772E+03  0.255126E-09 0.100000E-04    0.807849E+00
  17   -0.573445E-06    0.441665E+03  0.129837E-08 0.100000E-04    0.905239E+00
  18   -0.419849E-06    0.429383E+03  0.977795E-09 0.100000E-04    0.931076E+00
  19   -0.158040E-06    0.421905E+03  0.374587E-09 0.100000E-04    0.665707E+00
  20   -0.379539E-06    0.407944E+03  0.930369E-09 0.100000E-04    0.921087E+00
  21   -0.427087E-06    0.396337E+03  0.107759E-08 0.100000E-04    0.918087E+00
  22   -0.656470E-06    0.387468E+03  0.169426E-08 0.100000E-04    0.988714E+00
  23    0.811346E-06    0.370030E+03 -0.219265E-08 0.100000E-04    0.921793E+00
  24   -0.441814E-06    0.360568E+03  0.122533E-08 0.100000E-04    0.975420E+00
  25   -0.901772E-07    0.349345E+03  0.258132E-09 0.109000E-04    0.189685E+00
  26   -0.807410E-07    0.335298E+03  0.240804E-09 0.100000E-04    0.183963E+01
  27    0.360881E-06    0.329304E+03 -0.109589E-08 0.100000E-04    0.885848E+00
  28   -0.383805E-06    0.321830E+03  0.119257E-08 0.100000E-04    0.893872E+00
  29   -0.562523E-07    0.319126E+03  0.176270E-09 0.100000E-04    0.427173E+00
  30   -0.138846E-05    0.309393E+03  0.448770E-08 0.100000E-04    0.957951E+00
  31   -0.104581E-05    0.300817E+03  0.347658E-08 0.100000E-04    0.953123E+00
  32   -0.125759E-05    0.290601E+03  0.432753E-08 0.100000E-04    0.966464E+00
  33   -0.564950E-08    0.278995E+03  0.202495E-10 0.109000E-04    0.994794E-01
  34   -0.655326E-07    0.272736E+03  0.240279E-09 0.100000E-04    0.330416E+01
  35    0.105619E-05    0.268538E+03 -0.393313E-08 0.100000E-04    0.966482E+00
  36    0.128501E-05    0.264954E+03 -0.484994E-08 0.100000E-04    0.980573E+00
  37   -0.484890E-06    0.263836E+03  0.183785E-08 0.100000E-04    0.894026E+00
  38   -0.150085E-06    0.253216E+03  0.592717E-09 0.100000E-04    0.981557E+00
  39   -0.379862E-06    0.241574E+03  0.157245E-08 0.100000E-04    0.869557E+00
  40   -0.130053E-05    0.240774E+03  0.540146E-08 0.100000E-04    0.984026E+00
  41   -0.102510E-05    0.234012E+03  0.438054E-08 0.100000E-04    0.992944E+00
  42   -0.173523E-05    0.227519E+03  0.762673E-08 0.100000E-04    0.961023E+00
  43   -0.255396E-07    0.217134E+03  0.117622E-09 0.100000E-04    0.876122E+00
  44   -0.200994E-05    0.214892E+03  0.935325E-08 0.100000E-04    0.965575E+00
  45    0.719731E-06    0.213261E+03 -0.337489E-08 0.100000E-04    0.984315E+00
  46    0.109779E-05    0.207676E+03 -0.528606E-08 0.100000E-04    0.981902E+00
  47   -0.765470E-06    0.202999E+03  0.377081E-08 0.100000E-04    0.963748E+00
  48   -0.119781E-05    0.195433E+03  0.612902E-08 0.100000E-04    0.924380E+00
  49    0.954061E-06    0.194841E+03 -0.489660E-08 0.100000E-04    0.947076E+00
  50    0.126709E-05    0.191362E+03 -0.662139E-08 0.100000E-04    0.877492E+00
  51    0.216209E-06    0.182959E+03 -0.118173E-08 0.100000E-04    0.861313E+00
  52   -0.592654E-06    0.174357E+03  0.339907E-08 0.100000E-04    0.925100E+00
  53    0.113159E-06    0.172337E+03 -0.656618E-09 0.100000E-04    0.699397E+00
  54   -0.231943E-06    0.168216E+03  0.137884E-08 0.100000E-04    0.934957E+00
  55    0.868881E-06    0.163222E+03 -0.532331E-08 0.100000E-04    0.997817E+00
  56    0.137246E-05    0.156874E+03 -0.874879E-08 0.100000E-04    0.969905E+00
  57   -0.348804E-06    0.154912E+03  0.225163E-08 0.100000E-04    0.832543E+00
  58    0.931990E-06    0.152255E+03 -0.612123E-08 0.100000E-04    0.998876E+00
  59   -0.659489E-06    0.146665E+03  0.449656E-08 0.100000E-04    0.995366E+00
  60    0.179184E-06    0.143348E+03 -0.125000E-08 0.100000E-04    0.743208E+00
  61    0.887263E-06    0.138093E+03 -0.642512E-08 0.100000E-04    0.820144E+00
  62   -0.957614E-06    0.135873E+03  0.704785E-08 0.100000E-04    0.967403E+00
  63    0.202736E-05    0.130291E+03 -0.155602E-07 0.100000E-04    0.913329E+00
  64   -0.721946E-07    0.128840E+03  0.560343E-09 0.100000E-04    0.389554E+00
  65    0.127797E-05    0.126899E+03 -0.100708E-07 0.100000E-04    0.882028E+00
  66   -0.619516E-06    0.124074E+03  0.499312E-08 0.100000E-04    0.881450E+00
  67   -0.187607E-05    0.120011E+03  0.156324E-07 0.100000E-04    0.957029E+00
  68    0.445294E-06    0.118168E+03 -0.376832E-08 0.100000E-04    0.926601E+00
  69    0.223920E-07    0.116838E+03 -0.191651E-09 0.100000E-04    0.267523E+00
  70    0.135008E-05    0.110363E+03 -0.122331E-07 0.100000E-04    0.940752E+00
  71   -0.687516E-06    0.106826E+03  0.643584E-08 0.100000E-04    0.914693E+00
  72   -0.107867E-05    0.104453E+03  0.103268E-07 0.100000E-04    0.837750E+00
  73    0.149190E-06    0.102855E+03 -0.145049E-08 0.100000E-04    0.756139E+00
  74    0.808473E-07    0.995124E+02 -0.812434E-09 0.100000E-04    0.367001E+00
  75   -0.233004E-06    0.960904E+02  0.242484E-08 0.100000E-04    0.615524E+00
  76    0.206039E-06    0.941034E+02 -0.218950E-08 0.100000E-04    0.857600E+00
  77    0.156413E-05    0.919686E+02 -0.170072E-07 0.100000E-04    0.957246E+00
  78    0.848743E-06    0.912313E+02 -0.930320E-08 0.100000E-04    0.965155E+00
  79   -0.720029E-06    0.884191E+02  0.814336E-08 0.100000E-04    0.981340E+00
  80   -0.498254E-06    0.856090E+02  0.582011E-08 0.100000E-04    0.911195E+00
  81    0.130341E-05    0.808347E+02 -0.161244E-07 0.100000E-04    0.989663E+00
  82   -0.124533E-05    0.805019E+02  0.154695E-07 0.100000E-04    0.929316E+00
  83    0.299304E-06    0.779567E+02 -0.383936E-08 0.100000E-04    0.764270E+00
  84    0.315802E-06    0.732850E+02 -0.430924E-08 0.100000E-04    0.578650E+00
  85    0.201164E-05    0.725561E+02 -0.277253E-07 0.100000E-04    0.886197E+00
  86    0.558062E-06    0.679175E+02 -0.821677E-08 0.100000E-04    0.842097E+00
  87    0.832725E-06    0.647535E+02 -0.128599E-07 0.100000E-04    0.792161E+00
  88    0.126993E-05    0.613493E+02 -0.207000E-07 0.100000E-04    0.970103E+00
  89   -0.206342E-05    0.598367E+02  0.344841E-07 0.100000E-04    0.940340E+00
  90    0.221000E-05    0.594005E+02 -0.372050E-07 0.100000E-04    0.973615E+00
  91   -0.287164E-05    0.581363E+02  0.493949E-07 0.100000E-04    0.914138E+00
  92   -0.357082E-05    0.558743E+02  0.639081E-07 0.100000E-04    0.944040E+00
  93   -0.331590E-05    0.524458E+02  0.632252E-07 0.100000E-04    0.979126E+00
  94   -0.714408E-06    0.520296E+02  0.137308E-07 0.100000E-04    0.824373E+00
  95    0.189195E-05    0.502414E+02 -0.376572E-07 0.100000E-04    0.878610E+00
  96    0.118900E-05    0.461579E+02 -0.257594E-07 0.100000E-04    0.913094E+00
  97   -0.312748E-05    0.433411E+02  0.721597E-07 0.100000E-04    0.880129E+00
  98   -0.517048E-06    0.409164E+02  0.126367E-07 0.100000E-04    0.658597E+00
  99   -0.185640E-05    0.378679E+02  0.490231E-07 0.100000E-04    0.802881E+00
 100   -0.154205E-05    0.362078E+02  0.425889E-07 0.100000E-04    0.885097E+00
 101    0.107765E-04    0.322681E+02 -0.333967E-06 0.100000E-04    0.934747E+00
 102   -0.433989E-07    0.289020E+02  0.150159E-08 0.109000E-04    0.132047E+00
 103   -0.257113E-05    0.284527E+02  0.903650E-07 0.100000E-04    0.957142E+00
 104   -0.162796E-05    0.262993E+02  0.619015E-07 0.100000E-04    0.738969E+00
 105   -0.605393E-05    0.233328E+02  0.259460E-06 0.100000E-04    0.922951E+00
 106    0.537432E-05    0.213272E+02 -0.251994E-06 0.100000E-04    0.958532E+00
 107   -0.205860E-04    0.198538E+02  0.103688E-05 0.100000E-04    0.915165E+00
 108   -0.232921E-04    0.164557E+02  0.141545E-05 0.100000E-04    0.926144E+00
 109    0.568860E-05    0.139087E+02 -0.408995E-06 0.100000E-04    0.951602E+00
 110    0.919286E-05    0.122433E+02 -0.750846E-06 0.100000E-04    0.845825E+00
 111    0.519643E-06    0.100902E+02 -0.514998E-07 0.100000E-04    0.483977E+00
 112   -0.327277E-01    0.906446E+01  0.100000E-04 0.100000E-04    0.597445E+00
 113    0.954558E-01    0.574735E+01 -0.228110E-04 0.228110E-04    0.160698E+00
 114    0.913450E+00    0.316924E+01  0.100000E-04 0.100000E-04    0.790016E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2281102883E-04    0.2675859113    

 Beginning of optimization cycle  607.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994458823
 potential> RMS force:                                               0.0860742909   |gradient|=.9190219395    
 Eigenvalues of the Hessian matrix:
   746.67991    674.05499    630.69056    600.72136    586.36744    578.88964 
   564.90417    487.45333    460.60707    459.77168    441.66418    429.38460 
   421.90406    407.94234    396.33607    387.46622    370.03071    360.56831 
   349.34397    335.29852    329.30513    321.82998    319.12685    309.39201 
   300.81658    290.60109    278.99649    272.73624    268.53812    264.95419 
   263.83672    253.21534    241.57389    240.77491    234.01329    227.51983 
   217.13433    214.89226    213.26029    207.67666    202.99826    195.43212 
   194.84186    191.36290    182.96009    174.35823    172.33724    168.21600 
   163.22140    156.87387    154.91219    152.25509    146.66466    143.34709 
   138.09352    135.87321    130.29101    128.84010    126.89874    124.07273 
   120.01158    118.16773    116.83729    110.36320    106.82600    104.45368 
   102.85547     99.51235     96.09018     94.10312     91.96818     91.23157 
    88.41858     85.60934     80.83482     80.50257     77.95651     73.28477 
    72.55551     67.91716     64.75302     61.34886     59.83649     59.40064 
    58.13621     55.87408     52.44570     52.02917     50.24205     46.15742 
    43.34171     40.91655     37.86785     36.20738     32.26772     28.90236 
    28.45278     26.29956     23.33274     21.32743     19.85373     16.45555 
    13.90880     12.24336     10.09013      9.06605      5.74754      3.16894 
overlap for current and previous eigenvector    109 is         0.9999999876
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999673
overlap for current and previous eigenvector    112 is         0.9999999283
overlap for current and previous eigenvector    113 is         0.9999999253
overlap for current and previous eigenvector    114 is         0.9999999628
J1,K1,R1,R2,RAT=   7   7    0.3693981284E-02     1.996295263        0.9962952633    
FOB,PFOB,DIAG,PSTEP=   -0.1731612881E-06   -0.1738033177E-06     746.6799095        0.2327694239E-09
J1,K1,R1,R2,RAT=   8   8   -0.4452047437E-01     2.044524752        0.9554795256    
FOB,PFOB,DIAG,PSTEP=   -0.4280709689E-06   -0.4098253873E-06     674.0549893        0.6079986309E-09
J1,K1,R1,R2,RAT=   9   9   -0.4762027024E-01     2.047610461        0.9523797298    
FOB,PFOB,DIAG,PSTEP=   -0.7652671705E-06   -0.7304812837E-06     630.6905567        0.1158230227E-08
J1,K1,R1,R2,RAT=  10  10    -1.078234600         3.078242301        0.7823459988E-01
FOB,PFOB,DIAG,PSTEP=   -0.4570208534E-07   -0.2199086506E-07     600.7213611        0.3660728885E-10
J1,K1,R1,R2,RAT=  11  11   -0.1267262407         2.126728333        0.8732737593    
FOB,PFOB,DIAG,PSTEP=    0.2223238858E-07    0.1973184825E-07     586.3674390       -0.3365096062E-10
J1,K1,R1,R2,RAT= 109 109   -0.4401737990E-01     2.044008762        0.9559826201    
FOB,PFOB,DIAG,PSTEP=    0.5938999759E-05    0.5688601353E-05     13.90880194       -0.4089946704E-06
J1,K1,R1,R2,RAT= 110 110   -0.1507233983         2.150720430        0.8492766017    
FOB,PFOB,DIAG,PSTEP=    0.1057844303E-04    0.9192861628E-05     12.24336146       -0.7508456974E-06
J1,K1,R1,R2,RAT= 111 111    -1.098514662         3.098528767        0.9851466192E-01
FOB,PFOB,DIAG,PSTEP=    0.1090474358E-05    0.5196429663E-06     10.09013022       -0.5149976170E-07
J1,K1,R1,R2,RAT= 112 112    0.3711472493         721.6124334        0.6288527507    
FOB,PFOB,DIAG,PSTEP=   -0.3269403837E-01   -0.3272768676E-01     9.066047383        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7872793330         1456.933490        0.2127206670    
FOB,PFOB,DIAG,PSTEP=    0.9555899017E-01    0.9545577202E-01     5.747544365       -0.2281102883E-04
J1,K1,R1,R2,RAT= 114 114    0.1627947813        -57650.37398        0.8372052187    
FOB,PFOB,DIAG,PSTEP=    0.9134554740        0.9134503151         3.168940048        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03269      0.09556      0.91346 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3823804245
 Log product of positive Hessian eigenvalues =          519.0718805386
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1689400485
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000074
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000016
 Unscaled step for mode   61=       -0.0000000076
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=       -0.0000000168
 Unscaled step for mode   64=        0.0000000013
 Unscaled step for mode   65=       -0.0000000112
 Unscaled step for mode   66=        0.0000000056
 Unscaled step for mode   67=        0.0000000162
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000007
 Unscaled step for mode   70=       -0.0000000129
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=        0.0000000091
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=        0.0000000012
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=        0.0000000095
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=       -0.0000000162
 Unscaled step for mode   82=        0.0000000164
 Unscaled step for mode   83=       -0.0000000032
 Unscaled step for mode   84=       -0.0000000069
 Unscaled step for mode   85=       -0.0000000307
 Unscaled step for mode   86=       -0.0000000095
 Unscaled step for mode   87=       -0.0000000156
 Unscaled step for mode   88=       -0.0000000201
 Unscaled step for mode   89=        0.0000000363
 Unscaled step for mode   90=       -0.0000000380
 Unscaled step for mode   91=        0.0000000528
 Unscaled step for mode   92=        0.0000000668
 Unscaled step for mode   93=        0.0000000641
 Unscaled step for mode   94=        0.0000000119
 Unscaled step for mode   95=       -0.0000000421
 Unscaled step for mode   96=       -0.0000000275
 Unscaled step for mode   97=        0.0000000802
 Unscaled step for mode   98=        0.0000000183
 Unscaled step for mode   99=        0.0000000591
 Unscaled step for mode  100=        0.0000000471
 Unscaled step for mode  101=       -0.0000003518
 Unscaled step for mode  102=        0.0000000094
 Unscaled step for mode  103=        0.0000000937
 Unscaled step for mode  104=        0.0000000522
 Unscaled step for mode  105=        0.0000002766
 Unscaled step for mode  106=       -0.0000002603
 Unscaled step for mode  107=        0.0000011130
 Unscaled step for mode  108=        0.0000015048
 Unscaled step for mode  109=       -0.0000004270
 Unscaled step for mode  110=       -0.0000008640
 Unscaled step for mode  111=       -0.0000001081
 Unscaled step for mode  112=        0.0036061595
 Unscaled step for mode  113=       -0.0166214619
 Unscaled step for mode  114=        0.2676095110
 Largest modulus ratio of non-zero e/values=           235.6244985    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.806213E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.138707E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.428502E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.171208E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.495914E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.385216E-14    0.974301E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173161E-06    0.746680E+03  0.231908E-09 0.100000E-04    0.996295E+00
   8   -0.428071E-06    0.674055E+03  0.635068E-09 0.100000E-04    0.955480E+00
   9   -0.765267E-06    0.630691E+03  0.121338E-08 0.100000E-04    0.952380E+00
  10   -0.457021E-07    0.600721E+03  0.760787E-10 0.109000E-04    0.782346E-01
  11    0.222324E-07    0.586367E+03 -0.379155E-10 0.100000E-04    0.873274E+00
  12   -0.109449E-05    0.578890E+03  0.189066E-08 0.100000E-04    0.948364E+00
  13    0.492396E-07    0.564904E+03 -0.871645E-10 0.100000E-04    0.937910E+00
  14    0.462051E-06    0.487453E+03 -0.947887E-09 0.100000E-04    0.937455E+00
  15   -0.458926E-06    0.460607E+03  0.996351E-09 0.100000E-04    0.945830E+00
  16   -0.140312E-06    0.459772E+03  0.305178E-09 0.100000E-04    0.803816E+00
  17   -0.623711E-06    0.441664E+03  0.141218E-08 0.100000E-04    0.912342E+00
  18   -0.444762E-06    0.429385E+03  0.103581E-08 0.100000E-04    0.940661E+00
  19   -0.124792E-06    0.421904E+03  0.295783E-09 0.100000E-04    0.789623E+00
  20   -0.406123E-06    0.407942E+03  0.995539E-09 0.100000E-04    0.929957E+00
  21   -0.458446E-06    0.396336E+03  0.115671E-08 0.100000E-04    0.926573E+00
  22   -0.660982E-06    0.387466E+03  0.170591E-08 0.100000E-04    0.993127E+00
  23    0.868235E-06    0.370031E+03 -0.234639E-08 0.100000E-04    0.929884E+00
  24   -0.450505E-06    0.360568E+03  0.124943E-08 0.100000E-04    0.980328E+00
  25   -0.557896E-07    0.349344E+03  0.159698E-09 0.100000E-04    0.618666E+00
  26   -0.326617E-07    0.335299E+03  0.974108E-10 0.100000E-04    0.404521E+00
  27    0.398142E-06    0.329305E+03 -0.120904E-08 0.100000E-04    0.896752E+00
  28   -0.420022E-06    0.321830E+03  0.130511E-08 0.100000E-04    0.905637E+00
  29   -0.114975E-06    0.319127E+03  0.360278E-09 0.109000E-04    0.439039E-01
  30   -0.143276E-05    0.309392E+03  0.463089E-08 0.100000E-04    0.968095E+00
  31   -0.108711E-05    0.300817E+03  0.361385E-08 0.100000E-04    0.960517E+00
  32   -0.129082E-05    0.290601E+03  0.444190E-08 0.100000E-04    0.973572E+00
  33   -0.473778E-07    0.278996E+03  0.169815E-09 0.100000E-04    0.638615E+01
  34   -0.229759E-07    0.272736E+03  0.842423E-10 0.100000E-04    0.350600E+00
  35    0.108306E-05    0.268538E+03 -0.403316E-08 0.100000E-04    0.974566E+00
  36    0.130404E-05    0.264954E+03 -0.492178E-08 0.100000E-04    0.985187E+00
  37   -0.532820E-06    0.263837E+03  0.201950E-08 0.100000E-04    0.901155E+00
  38   -0.147461E-06    0.253215E+03  0.582355E-09 0.100000E-04    0.982517E+00
  39   -0.346014E-06    0.241574E+03  0.143233E-08 0.100000E-04    0.910891E+00
  40   -0.131581E-05    0.240775E+03  0.546490E-08 0.100000E-04    0.988253E+00
  41   -0.101935E-05    0.234013E+03  0.435595E-08 0.100000E-04    0.994383E+00
  42   -0.178709E-05    0.227520E+03  0.785465E-08 0.100000E-04    0.970114E+00
  43   -0.269454E-07    0.217134E+03  0.124095E-09 0.100000E-04    0.944956E+00
  44   -0.206646E-05    0.214892E+03  0.961626E-08 0.100000E-04    0.971880E+00
  45    0.708272E-06    0.213260E+03 -0.332116E-08 0.100000E-04    0.984079E+00
  46    0.111551E-05    0.207677E+03 -0.537138E-08 0.100000E-04    0.983857E+00
  47   -0.789349E-06    0.202998E+03  0.388845E-08 0.100000E-04    0.968805E+00
  48   -0.127455E-05    0.195432E+03  0.652171E-08 0.100000E-04    0.935934E+00
  49    0.998782E-06    0.194842E+03 -0.512612E-08 0.100000E-04    0.953126E+00
  50    0.141077E-05    0.191363E+03 -0.737223E-08 0.100000E-04    0.886603E+00
  51    0.244250E-06    0.182960E+03 -0.133499E-08 0.100000E-04    0.870305E+00
  52   -0.630329E-06    0.174358E+03  0.361514E-08 0.100000E-04    0.936430E+00
  53    0.923956E-07    0.172337E+03 -0.536133E-09 0.100000E-04    0.816505E+00
  54   -0.219373E-06    0.168216E+03  0.130411E-08 0.100000E-04    0.945802E+00
  55    0.862743E-06    0.163221E+03 -0.528573E-08 0.100000E-04    0.992937E+00
  56    0.140677E-05    0.156874E+03 -0.896752E-08 0.100000E-04    0.974999E+00
  57   -0.408778E-06    0.154912E+03  0.263877E-08 0.100000E-04    0.828058E+00
  58    0.929603E-06    0.152255E+03 -0.610556E-08 0.100000E-04    0.997438E+00
  59   -0.659656E-06    0.146665E+03  0.449771E-08 0.100000E-04    0.999748E+00
  60    0.232084E-06    0.143347E+03 -0.161903E-08 0.100000E-04    0.704773E+00
  61    0.104809E-05    0.138094E+03 -0.758974E-08 0.100000E-04    0.818736E+00
  62   -0.981743E-06    0.135873E+03  0.722544E-08 0.100000E-04    0.974803E+00
  63    0.218240E-05    0.130291E+03 -0.167502E-07 0.100000E-04    0.923523E+00
  64   -0.164051E-06    0.128840E+03  0.127329E-08 0.100000E-04    0.272343E+00
  65    0.142046E-05    0.126899E+03 -0.111936E-07 0.100000E-04    0.888510E+00
  66   -0.690451E-06    0.124073E+03  0.556489E-08 0.100000E-04    0.885498E+00
  67   -0.194277E-05    0.120012E+03  0.161881E-07 0.100000E-04    0.964447E+00
  68    0.474148E-06    0.118168E+03 -0.401250E-08 0.100000E-04    0.935202E+00
  69    0.769425E-07    0.116837E+03 -0.658544E-09 0.100000E-04    0.143617E+01
  70    0.141873E-05    0.110363E+03 -0.128551E-07 0.100000E-04    0.949146E+00
  71   -0.740659E-06    0.106826E+03  0.693332E-08 0.100000E-04    0.922703E+00
  72   -0.954079E-06    0.104454E+03  0.913399E-08 0.100000E-04    0.884495E+00
  73    0.188516E-06    0.102855E+03 -0.183283E-08 0.100000E-04    0.736406E+00
  74    0.400793E-07    0.995123E+02 -0.402757E-09 0.100000E-04    0.495740E+00
  75   -0.110763E-06    0.960902E+02  0.115270E-08 0.100000E-04    0.475368E+00
  76    0.232673E-06    0.941031E+02 -0.247253E-08 0.100000E-04    0.870735E+00
  77   -0.150789E-05    0.919682E+02  0.163958E-07 0.100000E-04    0.964047E+00
  78   -0.870093E-06    0.912316E+02  0.953719E-08 0.100000E-04    0.974846E+00
  79   -0.728428E-06    0.884186E+02  0.823840E-08 0.100000E-04    0.988335E+00
  80   -0.539802E-06    0.856093E+02  0.630541E-08 0.100000E-04    0.916613E+00
  81    0.131100E-05    0.808348E+02 -0.162182E-07 0.100000E-04    0.994182E+00
  82   -0.132213E-05    0.805026E+02  0.164235E-07 0.100000E-04    0.938323E+00
  83    0.250945E-06    0.779565E+02 -0.321904E-08 0.100000E-04    0.838429E+00
  84    0.505540E-06    0.732848E+02 -0.689830E-08 0.100000E-04    0.399185E+00
  85    0.223002E-05    0.725555E+02 -0.307353E-07 0.100000E-04    0.891440E+00
  86    0.642444E-06    0.679172E+02 -0.945924E-08 0.100000E-04    0.848794E+00
  87    0.100852E-05    0.647530E+02 -0.155748E-07 0.100000E-04    0.788896E+00
  88    0.123183E-05    0.613489E+02 -0.200791E-07 0.100000E-04    0.969996E+00
  89   -0.217256E-05    0.598365E+02  0.363082E-07 0.100000E-04    0.947107E+00
  90    0.225451E-05    0.594006E+02 -0.379544E-07 0.100000E-04    0.979857E+00
  91   -0.307149E-05    0.581362E+02  0.528327E-07 0.100000E-04    0.930404E+00
  92   -0.373457E-05    0.558741E+02  0.668390E-07 0.100000E-04    0.954144E+00
  93   -0.336172E-05    0.524457E+02  0.640991E-07 0.100000E-04    0.986181E+00
  94   -0.618901E-06    0.520292E+02  0.118953E-07 0.100000E-04    0.866313E+00
  95    0.211582E-05    0.502421E+02 -0.421125E-07 0.100000E-04    0.881676E+00
  96    0.126944E-05    0.461574E+02 -0.275023E-07 0.100000E-04    0.932350E+00
  97   -0.347451E-05    0.433417E+02  0.801655E-07 0.100000E-04    0.889041E+00
  98   -0.748529E-06    0.409166E+02  0.182940E-07 0.100000E-04    0.552304E+00
  99   -0.223754E-05    0.378679E+02  0.590882E-07 0.100000E-04    0.794687E+00
 100   -0.170635E-05    0.362074E+02  0.471270E-07 0.100000E-04    0.893454E+00
 101    0.113512E-04    0.322677E+02 -0.351780E-06 0.100000E-04    0.946672E+00
 102   -0.271251E-06    0.289024E+02  0.938509E-08 0.100000E-04    0.425012E+01
 103   -0.266712E-05    0.284528E+02  0.937385E-07 0.100000E-04    0.962666E+00
 104   -0.137274E-05    0.262996E+02  0.521962E-07 0.100000E-04    0.843203E+00
 105   -0.645387E-05    0.233327E+02  0.276601E-06 0.100000E-04    0.933937E+00
 106    0.555211E-05    0.213274E+02 -0.260327E-06 0.100000E-04    0.966919E+00
 107   -0.220982E-04    0.198537E+02  0.111305E-05 0.100000E-04    0.926544E+00
 108   -0.247617E-04    0.164556E+02  0.150476E-05 0.100000E-04    0.936908E+00
 109    0.593900E-05    0.139088E+02 -0.426996E-06 0.100000E-04    0.955983E+00
 110    0.105784E-04    0.122434E+02 -0.864015E-06 0.100000E-04    0.849277E+00
 111    0.109047E-05    0.100901E+02 -0.108073E-06 0.109000E-04    0.985147E-01
 112   -0.326940E-01    0.906605E+01  0.100000E-04 0.100000E-04    0.628853E+00
 113    0.955590E-01    0.574754E+01 -0.205505E-04 0.205505E-04    0.212721E+00
 114    0.913455E+00    0.316894E+01  0.100000E-04 0.100000E-04    0.837205E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2055047642E-04    0.2676095110    

 Beginning of optimization cycle  608.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994390367
 potential> RMS force:                                               0.0860757887   |gradient|=.9190379314    
 Eigenvalues of the Hessian matrix:
   746.68380    674.05379    630.69352    600.71904    586.36691    578.88988 
   564.90025    487.45303    460.60577    459.77113    441.66360    429.38582 
   421.90345    407.94074    396.33552    387.46480    370.03118    360.56846 
   349.34321    335.29914    329.30599    321.82976    319.12744    309.39086 
   300.81596    290.60114    278.99791    272.73669    268.53832    264.95451 
   263.83730    253.21472    241.57413    240.77533    234.01404    227.52012 
   217.13501    214.89240    213.26000    207.67713    202.99784    195.43131 
   194.84220    191.36337    182.96080    174.35895    172.33747    168.21627 
   163.22108    156.87364    154.91270    152.25492    146.66406    143.34670 
   138.09403    135.87320    130.29076    128.84031    126.89895    124.07164 
   120.01176    118.16787    116.83689    110.36344    106.82585    104.45392 
   102.85555     99.51229     96.08999     94.10291     91.96776     91.23177 
    88.41807     85.60963     80.83489     80.50324     77.95629     73.28458 
    72.55496     67.91689     64.75257     61.34838     59.83625     59.40074 
    58.13617     55.87387     52.44560     52.02881     50.24264     46.15701 
    43.34227     40.91667     37.86782     36.20707     32.26735     28.90269 
    28.45283     26.29983     23.33263     21.32767     19.85363     16.45546 
    13.90886     12.24338     10.09006      9.06754      5.74772      3.16865 
overlap for current and previous eigenvector    109 is         0.9999999893
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999727
overlap for current and previous eigenvector    112 is         0.9999999383
overlap for current and previous eigenvector    113 is         0.9999999344
overlap for current and previous eigenvector    114 is         0.9999999678
J1,K1,R1,R2,RAT=   7   7   -0.1101345745E-01     2.011003038        0.9889865425    
FOB,PFOB,DIAG,PSTEP=   -0.1750684025E-06   -0.1731612881E-06     746.6837994        0.2319083262E-09
J1,K1,R1,R2,RAT=   8   8    0.5106451714E-01     1.948939056        0.9489354829    
FOB,PFOB,DIAG,PSTEP=   -0.4062117706E-06   -0.4280709689E-06     674.0537851        0.6350683189E-09
J1,K1,R1,R2,RAT=   9   9    0.5516753658E-01     1.944823062        0.9448230619    
FOB,PFOB,DIAG,PSTEP=   -0.7230490674E-06   -0.7652671705E-06     630.6935214        0.1213379782E-08
J1,K1,R1,R2,RAT=  10  10    0.5998895452         1.400118197        0.4001104548    
FOB,PFOB,DIAG,PSTEP=   -0.1828598827E-07   -0.4570208534E-07     600.7190357        0.7607867525E-10
J1,K1,R1,R2,RAT=  11  11    0.1878674753         1.812134336        0.8121325247    
FOB,PFOB,DIAG,PSTEP=    0.1805564965E-07    0.2223238858E-07     586.3669079       -0.3791545557E-10
J1,K1,R1,R2,RAT= 109 109    0.4754357277E-01     1.952447986        0.9524479855    
FOB,PFOB,DIAG,PSTEP=    0.5656637300E-05    0.5938999759E-05     13.90886065       -0.4269957818E-06
J1,K1,R1,R2,RAT= 110 110    0.1555934228         1.844403505        0.8444035048    
FOB,PFOB,DIAG,PSTEP=    0.8932504343E-05    0.1057844303E-04     12.24338027       -0.8640145980E-06
J1,K1,R1,R2,RAT= 111 111    0.5016693630         1.498345101        0.4983306370    
FOB,PFOB,DIAG,PSTEP=    0.5434207379E-06    0.1090474358E-05     10.09005724       -0.1080733682E-06
J1,K1,R1,R2,RAT= 112 112    0.4092966597         720.7134871        0.5907033403    
FOB,PFOB,DIAG,PSTEP=   -0.3265692525E-01   -0.3269403837E-01     9.067537210        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8440603527         1618.864436        0.1559396473    
FOB,PFOB,DIAG,PSTEP=    0.9565868923E-01    0.9555899017E-01     5.747720835       -0.2055047642E-04
J1,K1,R1,R2,RAT= 114 114    0.2203470690        -57656.08796        0.7796529310    
FOB,PFOB,DIAG,PSTEP=    0.9134624560        0.9134554740         3.168647049        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03266      0.09566      0.91346 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3823586156
 Log product of positive Hessian eigenvalues =          519.0719547857
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1686470492
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000053
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=       -0.0000000062
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=       -0.0000000153
 Unscaled step for mode   64=        0.0000000004
 Unscaled step for mode   65=       -0.0000000099
 Unscaled step for mode   66=        0.0000000049
 Unscaled step for mode   67=        0.0000000155
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=        0.0000000121
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=        0.0000000106
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000026
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=       -0.0000000171
 Unscaled step for mode   78=       -0.0000000092
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000057
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000153
 Unscaled step for mode   83=       -0.0000000039
 Unscaled step for mode   84=       -0.0000000038
 Unscaled step for mode   85=       -0.0000000272
 Unscaled step for mode   86=       -0.0000000079
 Unscaled step for mode   87=        0.0000000123
 Unscaled step for mode   88=        0.0000000207
 Unscaled step for mode   89=       -0.0000000342
 Unscaled step for mode   90=        0.0000000370
 Unscaled step for mode   91=       -0.0000000483
 Unscaled step for mode   92=       -0.0000000631
 Unscaled step for mode   93=       -0.0000000628
 Unscaled step for mode   94=       -0.0000000139
 Unscaled step for mode   95=        0.0000000370
 Unscaled step for mode   96=       -0.0000000251
 Unscaled step for mode   97=        0.0000000705
 Unscaled step for mode   98=        0.0000000119
 Unscaled step for mode   99=        0.0000000473
 Unscaled step for mode  100=        0.0000000417
 Unscaled step for mode  101=       -0.0000003289
 Unscaled step for mode  102=       -0.0000000003
 Unscaled step for mode  103=        0.0000000898
 Unscaled step for mode  104=        0.0000000649
 Unscaled step for mode  105=        0.0000002553
 Unscaled step for mode  106=       -0.0000002497
 Unscaled step for mode  107=        0.0000010185
 Unscaled step for mode  108=        0.0000013938
 Unscaled step for mode  109=       -0.0000004067
 Unscaled step for mode  110=       -0.0000007296
 Unscaled step for mode  111=       -0.0000000539
 Unscaled step for mode  112=        0.0036014742
 Unscaled step for mode  113=       -0.0166382833
 Unscaled step for mode  114=        0.2676327208
 Largest modulus ratio of non-zero e/values=           235.6475138    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.114980E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.174416E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.321595E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.372966E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.809357E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.404062E-14    0.974301E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175068E-06    0.746684E+03  0.234461E-09 0.100000E-04    0.988987E+00
   8   -0.406212E-06    0.674054E+03  0.602640E-09 0.100000E-04    0.948935E+00
   9   -0.723049E-06    0.630694E+03  0.114643E-08 0.100000E-04    0.944823E+00
  10   -0.182860E-07    0.600719E+03  0.304402E-10 0.100000E-04    0.400110E+00
  11    0.180556E-07    0.586367E+03 -0.307924E-10 0.100000E-04    0.812133E+00
  12   -0.103052E-05    0.578890E+03  0.178017E-08 0.100000E-04    0.941557E+00
  13    0.528212E-07    0.564900E+03 -0.935053E-10 0.100000E-04    0.927262E+00
  14    0.430655E-06    0.487453E+03 -0.883480E-09 0.100000E-04    0.932052E+00
  15   -0.430357E-06    0.460606E+03  0.934328E-09 0.100000E-04    0.937748E+00
  16   -0.112896E-06    0.459771E+03  0.245548E-09 0.100000E-04    0.804604E+00
  17   -0.564761E-06    0.441664E+03  0.127871E-08 0.100000E-04    0.905484E+00
  18   -0.414282E-06    0.429386E+03  0.964824E-09 0.100000E-04    0.931463E+00
  19   -0.163755E-06    0.421903E+03  0.388133E-09 0.100000E-04    0.687780E+00
  20   -0.374220E-06    0.407941E+03  0.917340E-09 0.100000E-04    0.921446E+00
  21   -0.421040E-06    0.396336E+03  0.106233E-08 0.100000E-04    0.918406E+00
  22   -0.653694E-06    0.387465E+03  0.168710E-08 0.100000E-04    0.988973E+00
  23    0.800696E-06    0.370031E+03 -0.216386E-08 0.100000E-04    0.922209E+00
  24   -0.439658E-06    0.360568E+03  0.121935E-08 0.100000E-04    0.975920E+00
  25   -0.954609E-07    0.349343E+03  0.273258E-09 0.100000E-04    0.288912E+00
  26   -0.915026E-07    0.335299E+03  0.272898E-09 0.100000E-04    0.801520E+00
  27    0.352429E-06    0.329306E+03 -0.107022E-08 0.100000E-04    0.885180E+00
  28   -0.375234E-06    0.321830E+03  0.116594E-08 0.100000E-04    0.893368E+00
  29   -0.406965E-07    0.319127E+03  0.127524E-09 0.100000E-04    0.353959E+00
  30   -0.137281E-05    0.309391E+03  0.443713E-08 0.100000E-04    0.958154E+00
  31   -0.103662E-05    0.300816E+03  0.344602E-08 0.100000E-04    0.953557E+00
  32   -0.124799E-05    0.290601E+03  0.429452E-08 0.100000E-04    0.966821E+00
  33    0.297920E-08    0.278998E+03 -0.106782E-10 0.109000E-04    0.628763E-01
  34   -0.753720E-07    0.272737E+03  0.276354E-09 0.100000E-04    0.128048E+01
  35    0.104714E-05    0.268538E+03 -0.389940E-08 0.100000E-04    0.966836E+00
  36    0.127916E-05    0.264955E+03 -0.482785E-08 0.100000E-04    0.980914E+00
  37   -0.476366E-06    0.263837E+03  0.180553E-08 0.100000E-04    0.894043E+00
  38   -0.150202E-06    0.253215E+03  0.593178E-09 0.100000E-04    0.981418E+00
  39   -0.389164E-06    0.241574E+03  0.161095E-08 0.100000E-04    0.875295E+00
  40   -0.129516E-05    0.240775E+03  0.537911E-08 0.100000E-04    0.984299E+00
  41   -0.102658E-05    0.234014E+03  0.438684E-08 0.100000E-04    0.992907E+00
  42   -0.171801E-05    0.227520E+03  0.755103E-08 0.100000E-04    0.961344E+00
  43   -0.234479E-07    0.217135E+03  0.107988E-09 0.100000E-04    0.870195E+00
  44   -0.199626E-05    0.214892E+03  0.928960E-08 0.100000E-04    0.966030E+00
  45    0.719265E-06    0.213260E+03 -0.337271E-08 0.100000E-04    0.984480E+00
  46    0.109577E-05    0.207677E+03 -0.527630E-08 0.100000E-04    0.982297E+00
  47   -0.761139E-06    0.202998E+03  0.374949E-08 0.100000E-04    0.964261E+00
  48   -0.117823E-05    0.195431E+03  0.602888E-08 0.100000E-04    0.924428E+00
  49    0.946387E-06    0.194842E+03 -0.485720E-08 0.100000E-04    0.947537E+00
  50    0.123705E-05    0.191363E+03 -0.646439E-08 0.100000E-04    0.876855E+00
  51    0.210012E-06    0.182961E+03 -0.114785E-08 0.100000E-04    0.859813E+00
  52   -0.583171E-06    0.174359E+03  0.334466E-08 0.100000E-04    0.925177E+00
  53    0.118027E-06    0.172337E+03 -0.684859E-09 0.100000E-04    0.722592E+00
  54   -0.233276E-06    0.168216E+03  0.138676E-08 0.100000E-04    0.936621E+00
  55    0.864684E-06    0.163221E+03 -0.529762E-08 0.100000E-04    0.997751E+00
  56    0.136511E-05    0.156874E+03 -0.870194E-08 0.100000E-04    0.970383E+00
  57   -0.339934E-06    0.154913E+03  0.219436E-08 0.100000E-04    0.831580E+00
  58    0.928557E-06    0.152255E+03 -0.609870E-08 0.100000E-04    0.998876E+00
  59   -0.656743E-06    0.146664E+03  0.447787E-08 0.100000E-04    0.995584E+00
  60    0.171320E-06    0.143347E+03 -0.119515E-08 0.100000E-04    0.738183E+00
  61    0.856917E-06    0.138094E+03 -0.620532E-08 0.100000E-04    0.817590E+00
  62   -0.950117E-06    0.135873E+03  0.699268E-08 0.100000E-04    0.967786E+00
  63    0.199325E-05    0.130291E+03 -0.152985E-07 0.100000E-04    0.913327E+00
  64   -0.526468E-07    0.128840E+03  0.408620E-09 0.100000E-04    0.320915E+00
  65    0.125268E-05    0.126899E+03 -0.987151E-08 0.100000E-04    0.881886E+00
  66   -0.608502E-06    0.124072E+03  0.490444E-08 0.100000E-04    0.881309E+00
  67   -0.186017E-05    0.120012E+03  0.154999E-07 0.100000E-04    0.957482E+00
  68    0.439532E-06    0.118168E+03 -0.371955E-08 0.100000E-04    0.926990E+00
  69    0.167846E-07    0.116837E+03 -0.143659E-09 0.100000E-04    0.218142E+00
  70   -0.133535E-05    0.110363E+03  0.120996E-07 0.100000E-04    0.941222E+00
  71   -0.677533E-06    0.106826E+03  0.634241E-08 0.100000E-04    0.914771E+00
  72   -0.110236E-05    0.104454E+03  0.105536E-07 0.100000E-04    0.844579E+00
  73    0.141342E-06    0.102856E+03 -0.137418E-08 0.100000E-04    0.749761E+00
  74    0.858466E-07    0.995123E+02 -0.862674E-09 0.109000E-04    0.141921E+00
  75   -0.252258E-06    0.960900E+02  0.262522E-08 0.100000E-04    0.277461E+00
  76    0.199214E-06    0.941029E+02 -0.211698E-08 0.100000E-04    0.856196E+00
  77    0.157093E-05    0.919678E+02 -0.170813E-07 0.100000E-04    0.958197E+00
  78    0.840069E-06    0.912318E+02 -0.920807E-08 0.100000E-04    0.965489E+00
  79   -0.714913E-06    0.884181E+02  0.808560E-08 0.100000E-04    0.981446E+00
  80   -0.491978E-06    0.856096E+02  0.574676E-08 0.100000E-04    0.911398E+00
  81    0.129771E-05    0.808349E+02 -0.160538E-07 0.100000E-04    0.989863E+00
  82   -0.122906E-05    0.805032E+02  0.152672E-07 0.100000E-04    0.929588E+00
  83    0.307355E-06    0.779563E+02 -0.394266E-08 0.100000E-04    0.775210E+00
  84    0.279704E-06    0.732846E+02 -0.381668E-08 0.100000E-04    0.553275E+00
  85    0.197617E-05    0.725550E+02 -0.272369E-07 0.100000E-04    0.886169E+00
  86    0.539790E-06    0.679169E+02 -0.794780E-08 0.100000E-04    0.840212E+00
  87   -0.793463E-06    0.647526E+02  0.122538E-07 0.100000E-04    0.786761E+00
  88   -0.126843E-05    0.613484E+02  0.206758E-07 0.100000E-04    0.970291E+00
  89    0.204442E-05    0.598363E+02 -0.341668E-07 0.100000E-04    0.941018E+00
  90   -0.219570E-05    0.594007E+02  0.369642E-07 0.100000E-04    0.973909E+00
  91    0.280652E-05    0.581362E+02 -0.482750E-07 0.100000E-04    0.913734E+00
  92    0.352634E-05    0.558739E+02 -0.631125E-07 0.100000E-04    0.944244E+00
  93    0.329224E-05    0.524456E+02 -0.627744E-07 0.100000E-04    0.979333E+00
  94    0.724001E-06    0.520288E+02 -0.139154E-07 0.100000E-04    0.830181E+00
  95   -0.185910E-05    0.502426E+02  0.370025E-07 0.100000E-04    0.878646E+00
  96    0.115808E-05    0.461570E+02 -0.250900E-07 0.100000E-04    0.912277E+00
  97   -0.305671E-05    0.433423E+02  0.705249E-07 0.100000E-04    0.879729E+00
  98   -0.485289E-06    0.409167E+02  0.118604E-07 0.100000E-04    0.648319E+00
  99   -0.178946E-05    0.378678E+02  0.472554E-07 0.100000E-04    0.799742E+00
 100   -0.150969E-05    0.362071E+02  0.416959E-07 0.100000E-04    0.884748E+00
 101    0.106114E-04    0.322674E+02 -0.328858E-06 0.100000E-04    0.934828E+00
 102    0.960967E-08    0.289027E+02 -0.332484E-09 0.109000E-04    0.354153E-01
 103   -0.255428E-05    0.284528E+02  0.897723E-07 0.100000E-04    0.957687E+00
 104   -0.170636E-05    0.262998E+02  0.648810E-07 0.100000E-04    0.756969E+00
 105   -0.595662E-05    0.233326E+02  0.255291E-06 0.100000E-04    0.922953E+00
 106    0.532502E-05    0.213277E+02 -0.249677E-06 0.100000E-04    0.959076E+00
 107   -0.202207E-04    0.198536E+02  0.101849E-05 0.100000E-04    0.915039E+00
 108   -0.229350E-04    0.164555E+02  0.139376E-05 0.100000E-04    0.926231E+00
 109    0.565664E-05    0.139089E+02 -0.406693E-06 0.100000E-04    0.952448E+00
 110    0.893250E-05    0.122434E+02 -0.729578E-06 0.100000E-04    0.844404E+00
 111    0.543421E-06    0.100901E+02 -0.538571E-07 0.100000E-04    0.498331E+00
 112   -0.326569E-01    0.906754E+01  0.100000E-04 0.100000E-04    0.590703E+00
 113    0.956587E-01    0.574772E+01 -0.224000E-04 0.224000E-04    0.155940E+00
 114    0.913462E+00    0.316865E+01  0.100000E-04 0.100000E-04    0.779653E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2240001930E-04    0.2676327208    

 Beginning of optimization cycle  609.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994323694
 potential> RMS force:                                               0.0860771817   |gradient|=.9190528043    
 Eigenvalues of the Hessian matrix:
   746.68778    674.05237    630.69658    600.71673    586.36631    578.89012 
   564.89609    487.45263    460.60441    459.77057    441.66297    429.38720 
   421.90282    407.93904    396.33494    387.46333    370.03166    360.56865 
   349.34249    335.29981    329.30690    321.82949    319.12817    309.38968 
   300.81538    290.60121    278.99945    272.73716    268.53859    264.95485 
   263.83797    253.21412    241.57446    240.77576    234.01487    227.52048 
   217.13577    214.89254    213.25970    207.67765    202.99741    195.43048 
   194.84260    191.36385    182.96157    174.35971    172.33772    168.21656 
   163.22074    156.87341    154.91323    152.25473    146.66344    143.34628 
   138.09457    135.87320    130.29049    128.84053    126.89915    124.07048 
   120.01194    118.16800    116.83644    110.36369    106.82566    104.45415 
   102.85562     99.51221     96.08977     94.10267     91.96735     91.23201 
    88.41755     85.60995     80.83497     80.50395     77.95607     73.28435 
    72.55435     67.91657     64.75210     61.34791     59.83601     59.40084 
    58.13612     55.87363     52.44549     52.02841     50.24324     46.15657 
    43.34286     40.91678     37.86776     36.20669     32.26696     28.90302 
    28.45290     26.30011     23.33254     21.32791     19.85354     16.45535 
    13.90892     12.24340     10.08999      9.06911      5.74791      3.16834 
overlap for current and previous eigenvector    109 is         0.9999999879
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999679
overlap for current and previous eigenvector    112 is        -0.9999999299
overlap for current and previous eigenvector    113 is         0.9999999273
overlap for current and previous eigenvector    114 is         0.9999999639
J1,K1,R1,R2,RAT=   7   7    0.3678080922E-02     1.996311267        0.9963112665    
FOB,PFOB,DIAG,PSTEP=   -0.1744244833E-06   -0.1750684025E-06     746.6877765        0.2344612306E-09
J1,K1,R1,R2,RAT=   8   8   -0.4411641013E-01     2.044120597        0.9558835899    
FOB,PFOB,DIAG,PSTEP=   -0.4241323382E-06   -0.4062117706E-06     674.0523742        0.6026399964E-09
J1,K1,R1,R2,RAT=   9   9   -0.4719526452E-01     2.047185555        0.9528047355    
FOB,PFOB,DIAG,PSTEP=   -0.7571737250E-06   -0.7230490674E-06     630.6965832        0.1146434905E-08
J1,K1,R1,R2,RAT=  10  10    -1.275090359         3.275098038        0.2750903591    
FOB,PFOB,DIAG,PSTEP=   -0.4160218611E-07   -0.1828598827E-07     600.7167294        0.3044016784E-10
J1,K1,R1,R2,RAT=  11  11   -0.1342332489         2.134235287        0.8657667511    
FOB,PFOB,DIAG,PSTEP=    0.2047931570E-07    0.1805564965E-07     586.3663103       -0.3079240900E-10
J1,K1,R1,R2,RAT= 109 109   -0.4332576761E-01     2.043317144        0.9566742324    
FOB,PFOB,DIAG,PSTEP=    0.5901716510E-05    0.5656637300E-05     13.90892063       -0.4066930745E-06
J1,K1,R1,R2,RAT= 110 110     2.152362680       -0.1523657523        0.8476342477    
FOB,PFOB,DIAG,PSTEP=   -0.1029351418E-04    0.8932504343E-05     12.24339908       -0.7295782821E-06
J1,K1,R1,R2,RAT= 111 111     3.037522158        -1.037508161        0.3750816076E-01
FOB,PFOB,DIAG,PSTEP=   -0.1107220242E-05    0.5434207379E-06     10.08998663       -0.5385705202E-07
J1,K1,R1,R2,RAT= 112 112     719.8006697        0.3784888172        0.6215111828    
FOB,PFOB,DIAG,PSTEP=    0.3262259968E-01   -0.3265692525E-01     9.069111445        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7915551146         1486.712553        0.2084448854    
FOB,PFOB,DIAG,PSTEP=    0.9576060464E-01    0.9565868923E-01     5.747914626       -0.2240001930E-04
J1,K1,R1,R2,RAT= 114 114    0.1739638023        -57661.99919        0.8260361977    
FOB,PFOB,DIAG,PSTEP=    0.9134679678        0.9134624560         3.168343882        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03262      0.09576      0.91347 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3823382363
 Log product of positive Hessian eigenvalues =          519.0720342129
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1683438825
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000053
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000073
 Unscaled step for mode   62=       -0.0000000072
 Unscaled step for mode   63=       -0.0000000165
 Unscaled step for mode   64=        0.0000000011
 Unscaled step for mode   65=       -0.0000000110
 Unscaled step for mode   66=        0.0000000055
 Unscaled step for mode   67=       -0.0000000160
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=        0.0000000127
 Unscaled step for mode   71=        0.0000000068
 Unscaled step for mode   72=        0.0000000094
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000014
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=        0.0000000094
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000062
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000162
 Unscaled step for mode   83=       -0.0000000033
 Unscaled step for mode   84=       -0.0000000064
 Unscaled step for mode   85=       -0.0000000302
 Unscaled step for mode   86=       -0.0000000092
 Unscaled step for mode   87=        0.0000000149
 Unscaled step for mode   88=        0.0000000201
 Unscaled step for mode   89=       -0.0000000360
 Unscaled step for mode   90=        0.0000000377
 Unscaled step for mode   91=       -0.0000000516
 Unscaled step for mode   92=       -0.0000000660
 Unscaled step for mode   93=       -0.0000000636
 Unscaled step for mode   94=       -0.0000000121
 Unscaled step for mode   95=        0.0000000414
 Unscaled step for mode   96=       -0.0000000268
 Unscaled step for mode   97=        0.0000000784
 Unscaled step for mode   98=        0.0000000174
 Unscaled step for mode   99=       -0.0000000571
 Unscaled step for mode  100=       -0.0000000462
 Unscaled step for mode  101=        0.0000003463
 Unscaled step for mode  102=        0.0000000074
 Unscaled step for mode  103=        0.0000000931
 Unscaled step for mode  104=        0.0000000553
 Unscaled step for mode  105=        0.0000002721
 Unscaled step for mode  106=       -0.0000002578
 Unscaled step for mode  107=        0.0000010933
 Unscaled step for mode  108=        0.0000014815
 Unscaled step for mode  109=       -0.0000004243
 Unscaled step for mode  110=        0.0000008407
 Unscaled step for mode  111=        0.0000001097
 Unscaled step for mode  112=       -0.0035970644
 Unscaled step for mode  113=       -0.0166554388
 Unscaled step for mode  114=        0.2676563049
 Largest modulus ratio of non-zero e/values=           235.6713173    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.330682E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.924337E-15    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.190861E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.487891E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.545042E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.321790E-14    0.974301E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174424E-06    0.746688E+03  0.233598E-09 0.100000E-04    0.996311E+00
   8   -0.424132E-06    0.674052E+03  0.629228E-09 0.100000E-04    0.955884E+00
   9   -0.757174E-06    0.630697E+03  0.120054E-08 0.100000E-04    0.952805E+00
  10   -0.416022E-07    0.600717E+03  0.692542E-10 0.100000E-04    0.275090E+00
  11    0.204793E-07    0.586366E+03 -0.349258E-10 0.100000E-04    0.865767E+00
  12   -0.108326E-05    0.578890E+03  0.187127E-08 0.100000E-04    0.948826E+00
  13    0.496090E-07    0.564896E+03 -0.878197E-10 0.100000E-04    0.939188E+00
  14    0.457347E-06    0.487453E+03 -0.938240E-09 0.100000E-04    0.938019E+00
  15   -0.453512E-06    0.460604E+03  0.984601E-09 0.100000E-04    0.946196E+00
  16   -0.135504E-06    0.459771E+03  0.294722E-09 0.100000E-04    0.799738E+00
  17   -0.614124E-06    0.441663E+03  0.139048E-08 0.100000E-04    0.912595E+00
  18   -0.438739E-06    0.429387E+03  0.102178E-08 0.100000E-04    0.940966E+00
  19   -0.131057E-06    0.421903E+03  0.310633E-09 0.100000E-04    0.800324E+00
  20   -0.400306E-06    0.407939E+03  0.981289E-09 0.100000E-04    0.930293E+00
  21   -0.451841E-06    0.396335E+03  0.114005E-08 0.100000E-04    0.926846E+00
  22   -0.658076E-06    0.387463E+03  0.169842E-08 0.100000E-04    0.993296E+00
  23    0.856541E-06    0.370032E+03 -0.231478E-08 0.100000E-04    0.930255E+00
  24   -0.448151E-06    0.360569E+03  0.124290E-08 0.100000E-04    0.980682E+00
  25   -0.616529E-07    0.349342E+03  0.176483E-09 0.100000E-04    0.645844E+00
  26   -0.442153E-07    0.335300E+03  0.131868E-09 0.100000E-04    0.483211E+00
  27    0.389013E-06    0.329307E+03 -0.118131E-08 0.100000E-04    0.896194E+00
  28   -0.410806E-06    0.321829E+03  0.127647E-08 0.100000E-04    0.905202E+00
  29   -0.984313E-07    0.319128E+03  0.308438E-09 0.100000E-04    0.418663E+00
  30   -0.141627E-05    0.309390E+03  0.457761E-08 0.100000E-04    0.968343E+00
  31   -0.107713E-05    0.300815E+03  0.358070E-08 0.100000E-04    0.960919E+00
  32   -0.128058E-05    0.290601E+03  0.440666E-08 0.100000E-04    0.973888E+00
  33   -0.380631E-07    0.278999E+03  0.136427E-09 0.100000E-04    0.107763E+02
  34   -0.335091E-07    0.272737E+03  0.122862E-09 0.100000E-04    0.444580E+00
  35    0.107347E-05    0.268539E+03 -0.399746E-08 0.100000E-04    0.974852E+00
  36    0.129775E-05    0.264955E+03 -0.489800E-08 0.100000E-04    0.985468E+00
  37   -0.523443E-06    0.263838E+03  0.198396E-08 0.100000E-04    0.901174E+00
  38   -0.147588E-06    0.253214E+03  0.582857E-09 0.100000E-04    0.982598E+00
  39   -0.355880E-06    0.241574E+03  0.147317E-08 0.100000E-04    0.914473E+00
  40   -0.131008E-05    0.240776E+03  0.544110E-08 0.100000E-04    0.988474E+00
  41   -0.102085E-05    0.234015E+03  0.436232E-08 0.100000E-04    0.994408E+00
  42   -0.176884E-05    0.227520E+03  0.777443E-08 0.100000E-04    0.970414E+00
  43   -0.248103E-07    0.217136E+03  0.114262E-09 0.100000E-04    0.941896E+00
  44   -0.205164E-05    0.214893E+03  0.954729E-08 0.100000E-04    0.972259E+00
  45    0.707950E-06    0.213260E+03 -0.331966E-08 0.100000E-04    0.984269E+00
  46    0.111311E-05    0.207678E+03 -0.535981E-08 0.100000E-04    0.984170E+00
  47   -0.784540E-06    0.202997E+03  0.386478E-08 0.100000E-04    0.969255E+00
  48   -0.125361E-05    0.195430E+03  0.641462E-08 0.100000E-04    0.936022E+00
  49    0.990320E-06    0.194843E+03 -0.508267E-08 0.100000E-04    0.953578E+00
  50    0.137811E-05    0.191364E+03 -0.720150E-08 0.100000E-04    0.885972E+00
  51    0.237560E-06    0.182962E+03 -0.129842E-08 0.100000E-04    0.868824E+00
  52   -0.620181E-06    0.174360E+03  0.355690E-08 0.100000E-04    0.936537E+00
  53    0.976432E-07    0.172338E+03 -0.566581E-09 0.100000E-04    0.827293E+00
  54   -0.220910E-06    0.168217E+03  0.131325E-08 0.100000E-04    0.946988E+00
  55   -0.858527E-06    0.163221E+03  0.525991E-08 0.100000E-04    0.992880E+00
  56    0.139873E-05    0.156873E+03 -0.891630E-08 0.100000E-04    0.975368E+00
  57   -0.398836E-06    0.154913E+03  0.257457E-08 0.100000E-04    0.826726E+00
  58    0.926142E-06    0.152255E+03 -0.608284E-08 0.100000E-04    0.997398E+00
  59   -0.656833E-06    0.146663E+03  0.447850E-08 0.100000E-04    0.999863E+00
  60   -0.223305E-06    0.143346E+03  0.155780E-08 0.100000E-04    0.696563E+00
  61   -0.101492E-05    0.138095E+03  0.734946E-08 0.100000E-04    0.815615E+00
  62    0.973793E-06    0.135873E+03 -0.716692E-08 0.100000E-04    0.975082E+00
  63    0.214556E-05    0.130290E+03 -0.164675E-07 0.100000E-04    0.923584E+00
  64   -0.142997E-06    0.128841E+03  0.110988E-08 0.100000E-04    0.716153E+00
  65    0.139258E-05    0.126899E+03 -0.109739E-07 0.100000E-04    0.888320E+00
  66   -0.678249E-06    0.124070E+03  0.546664E-08 0.100000E-04    0.885377E+00
  67    0.192557E-05    0.120012E+03 -0.160448E-07 0.100000E-04    0.964841E+00
  68    0.467835E-06    0.118168E+03 -0.395906E-08 0.100000E-04    0.935607E+00
  69   -0.703763E-07    0.116836E+03  0.602349E-09 0.100000E-04    0.219291E+01
  70   -0.140269E-05    0.110364E+03  0.127097E-07 0.100000E-04    0.949572E+00
  71   -0.729822E-06    0.106826E+03  0.683190E-08 0.100000E-04    0.922824E+00
  72   -0.979840E-06    0.104454E+03  0.938057E-08 0.100000E-04    0.888849E+00
  73    0.179874E-06    0.102856E+03 -0.174880E-08 0.100000E-04    0.727385E+00
  74    0.457947E-07    0.995122E+02 -0.460192E-09 0.100000E-04    0.533447E+00
  75   -0.132079E-06    0.960898E+02  0.137453E-08 0.100000E-04    0.523585E+00
  76    0.225236E-06    0.941027E+02 -0.239351E-08 0.100000E-04    0.869374E+00
  77    0.151557E-05    0.919674E+02 -0.164794E-07 0.100000E-04    0.964759E+00
  78   -0.860973E-06    0.912320E+02  0.943718E-08 0.100000E-04    0.975116E+00
  79   -0.723166E-06    0.884175E+02  0.817899E-08 0.100000E-04    0.988455E+00
  80   -0.532878E-06    0.856100E+02  0.622449E-08 0.100000E-04    0.916866E+00
  81    0.130505E-05    0.808350E+02 -0.161447E-07 0.100000E-04    0.994341E+00
  82   -0.130451E-05    0.805039E+02  0.162043E-07 0.100000E-04    0.938613E+00
  83    0.259677E-06    0.779561E+02 -0.333107E-08 0.100000E-04    0.844876E+00
  84    0.466017E-06    0.732844E+02 -0.635902E-08 0.100000E-04    0.333888E+00
  85    0.219079E-05    0.725544E+02 -0.301951E-07 0.100000E-04    0.891397E+00
  86    0.622619E-06    0.679166E+02 -0.916741E-08 0.100000E-04    0.846552E+00
  87   -0.966241E-06    0.647521E+02  0.149222E-07 0.100000E-04    0.782246E+00
  88   -0.123065E-05    0.613479E+02  0.200602E-07 0.100000E-04    0.970216E+00
  89    0.215136E-05    0.598360E+02 -0.359543E-07 0.100000E-04    0.947687E+00
  90   -0.223949E-05    0.594008E+02  0.377013E-07 0.100000E-04    0.980057E+00
  91    0.300249E-05    0.581361E+02 -0.516458E-07 0.100000E-04    0.930175E+00
  92    0.368719E-05    0.558736E+02 -0.659915E-07 0.100000E-04    0.954387E+00
  93    0.333709E-05    0.524455E+02 -0.636297E-07 0.100000E-04    0.986378E+00
  94    0.629952E-06    0.520284E+02 -0.121078E-07 0.100000E-04    0.870097E+00
  95   -0.207908E-05    0.502432E+02  0.413803E-07 0.100000E-04    0.881677E+00
  96    0.123686E-05    0.461566E+02 -0.267970E-07 0.100000E-04    0.931974E+00
  97   -0.339729E-05    0.433429E+02  0.783819E-07 0.100000E-04    0.888580E+00
  98   -0.712850E-06    0.409168E+02  0.174220E-07 0.100000E-04    0.531082E+00
  99    0.216390E-05    0.378678E+02 -0.571437E-07 0.100000E-04    0.790749E+00
 100    0.167100E-05    0.362067E+02 -0.461518E-07 0.100000E-04    0.893144E+00
 101   -0.111754E-04    0.322670E+02  0.346343E-06 0.100000E-04    0.946843E+00
 102   -0.214505E-06    0.289030E+02  0.742156E-08 0.100000E-04    0.203216E+02
 103   -0.264846E-05    0.284529E+02  0.930822E-07 0.100000E-04    0.963127E+00
 104   -0.145470E-05    0.263001E+02  0.553114E-07 0.100000E-04    0.852495E+00
 105   -0.634954E-05    0.233325E+02  0.272132E-06 0.100000E-04    0.934036E+00
 106    0.549881E-05    0.213279E+02 -0.257822E-06 0.100000E-04    0.967364E+00
 107   -0.217061E-04    0.198535E+02  0.109331E-05 0.100000E-04    0.926540E+00
 108   -0.243784E-04    0.164553E+02  0.148149E-05 0.100000E-04    0.937066E+00
 109    0.590172E-05    0.139089E+02 -0.424312E-06 0.100000E-04    0.956674E+00
 110   -0.102935E-04    0.122434E+02  0.840740E-06 0.100000E-04    0.847634E+00
 111   -0.110722E-05    0.100900E+02  0.109735E-06 0.109000E-04    0.375082E-01
 112    0.326226E-01    0.906911E+01 -0.100000E-04 0.100000E-04    0.621511E+00
 113    0.957606E-01    0.574791E+01 -0.201802E-04 0.201802E-04    0.208445E+00
 114    0.913468E+00    0.316834E+01  0.100000E-04 0.100000E-04    0.826036E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2018019757E-04    0.2676563049    

 Beginning of optimization cycle  610.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994254917
 potential> RMS force:                                               0.0860786977   |gradient|=.9190689913    
 Eigenvalues of the Hessian matrix:
   746.69163    674.05120    630.69952    600.71441    586.36579    578.89035 
   564.89221    487.45234    460.60311    459.77003    441.66241    429.38839 
   421.90221    407.93746    396.33439    387.46191    370.03213    360.56879 
   349.34172    335.30043    329.30775    321.82929    319.12874    309.38854 
   300.81476    290.60126    279.00085    272.73760    268.53879    264.95517 
   263.83854    253.21349    241.57469    240.77617    234.01560    227.52075 
   217.13643    214.89269    213.25942    207.67812    202.99700    195.42968 
   194.84294    191.36431    182.96226    174.36042    172.33794    168.21682 
   163.22042    156.87319    154.91373    152.25455    146.66285    143.34591 
   138.09507    135.87320    130.29025    128.84074    126.89935    124.06940 
   120.01212    118.16814    116.83604    110.36393    106.82551    104.45439 
   102.85570     99.51215     96.08959     94.10246     91.96694     91.23221 
    88.41704     85.61024     80.83504     80.50460     77.95585     73.28417 
    72.55382     67.91630     64.75166     61.34744     59.83577     59.40095 
    58.13609     55.87343     52.44540     52.02806     50.24382     46.15616 
    43.34341     40.91689     37.86774     36.20640     32.26659     28.90335 
    28.45295     26.30038     23.33243     21.32816     19.85343     16.45525 
    13.90898     12.24342     10.08991      9.07059      5.74809      3.16805 
overlap for current and previous eigenvector    109 is         0.9999999896
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999732
overlap for current and previous eigenvector    112 is         0.9999999396
overlap for current and previous eigenvector    113 is         0.9999999361
overlap for current and previous eigenvector    114 is         0.9999999688
J1,K1,R1,R2,RAT=   7   7   -0.1085588264E-01     2.010845560        0.9891441174    
FOB,PFOB,DIAG,PSTEP=   -0.1763180248E-06   -0.1744244833E-06     746.6916305        0.2335976144E-09
J1,K1,R1,R2,RAT=   8   8    0.5060267201E-01     1.949400822        0.9493973280    
FOB,PFOB,DIAG,PSTEP=   -0.4026701461E-06   -0.4241323382E-06     674.0511967        0.6292275711E-09
J1,K1,R1,R2,RAT=   9   9    0.5468484790E-01     1.945305842        0.9453058421    
FOB,PFOB,DIAG,PSTEP=   -0.7157676023E-06   -0.7571737250E-06     630.6995192        0.1200535638E-08
J1,K1,R1,R2,RAT=  10  10    0.6481927285         1.351814991        0.3518072715    
FOB,PFOB,DIAG,PSTEP=   -0.1463605567E-07   -0.4160218611E-07     600.7144107        0.6925424926E-10
J1,K1,R1,R2,RAT=  11  11    0.1985818117         1.801419951        0.8014181883    
FOB,PFOB,DIAG,PSTEP=    0.1641249967E-07    0.2047931570E-07     586.3657935       -0.3492580548E-10
J1,K1,R1,R2,RAT= 109 109    0.4680902044E-01     1.953182528        0.9531825284    
FOB,PFOB,DIAG,PSTEP=    0.5625461774E-05    0.5901716510E-05     13.90897940       -0.4243116104E-06
J1,K1,R1,R2,RAT= 110 110    0.1570736811         1.842923147        0.8429231467    
FOB,PFOB,DIAG,PSTEP=   -0.8676671450E-05   -0.1029351418E-04     12.24341849        0.8407399052E-06
J1,K1,R1,R2,RAT= 111 111    0.4887109460         1.511303411        0.5112890540    
FOB,PFOB,DIAG,PSTEP=   -0.5661134746E-06   -0.1107220242E-05     10.08991419        0.1097345599E-06
J1,K1,R1,R2,RAT= 112 112    0.4159083209         718.8893557        0.5840916791    
FOB,PFOB,DIAG,PSTEP=    0.3258487435E-01    0.3262259968E-01     9.070585552       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8489302457         1651.928946        0.1510697543    
FOB,PFOB,DIAG,PSTEP=    0.9585907845E-01    0.9576060464E-01     5.748087104       -0.2018019757E-04
J1,K1,R1,R2,RAT= 114 114    0.2305573055        -57667.71178        0.7694426945    
FOB,PFOB,DIAG,PSTEP=    0.9134752719        0.9134679678         3.168052249        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03258      0.09586      0.91348 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3823162049
 Log product of positive Hessian eigenvalues =          519.0721075113
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1680522487
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000053
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000060
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=       -0.0000000150
 Unscaled step for mode   64=        0.0000000003
 Unscaled step for mode   65=       -0.0000000097
 Unscaled step for mode   66=        0.0000000048
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000120
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=        0.0000000108
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000028
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000172
 Unscaled step for mode   78=       -0.0000000091
 Unscaled step for mode   79=        0.0000000080
 Unscaled step for mode   80=        0.0000000057
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000151
 Unscaled step for mode   83=       -0.0000000040
 Unscaled step for mode   84=       -0.0000000033
 Unscaled step for mode   85=       -0.0000000268
 Unscaled step for mode   86=       -0.0000000077
 Unscaled step for mode   87=        0.0000000117
 Unscaled step for mode   88=        0.0000000207
 Unscaled step for mode   89=       -0.0000000339
 Unscaled step for mode   90=        0.0000000367
 Unscaled step for mode   91=       -0.0000000472
 Unscaled step for mode   92=       -0.0000000623
 Unscaled step for mode   93=       -0.0000000623
 Unscaled step for mode   94=       -0.0000000141
 Unscaled step for mode   95=        0.0000000364
 Unscaled step for mode   96=       -0.0000000244
 Unscaled step for mode   97=        0.0000000689
 Unscaled step for mode   98=        0.0000000111
 Unscaled step for mode   99=       -0.0000000455
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=        0.0000003238
 Unscaled step for mode  102=       -0.0000000021
 Unscaled step for mode  103=        0.0000000892
 Unscaled step for mode  104=        0.0000000678
 Unscaled step for mode  105=        0.0000002512
 Unscaled step for mode  106=       -0.0000002474
 Unscaled step for mode  107=        0.0000010004
 Unscaled step for mode  108=        0.0000013724
 Unscaled step for mode  109=       -0.0000004044
 Unscaled step for mode  110=        0.0000007087
 Unscaled step for mode  111=        0.0000000561
 Unscaled step for mode  112=       -0.0035923209
 Unscaled step for mode  113=       -0.0166720566
 Unscaled step for mode  114=        0.2676795034
 Largest modulus ratio of non-zero e/values=           235.6942285    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.133162E-14    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.232691E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.368764E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.533509E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.958543E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.394036E-14    0.974302E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176318E-06    0.746692E+03  0.236132E-09 0.100000E-04    0.989144E+00
   8   -0.402670E-06    0.674051E+03  0.597388E-09 0.100000E-04    0.949397E+00
   9   -0.715768E-06    0.630700E+03  0.113488E-08 0.100000E-04    0.945306E+00
  10   -0.146361E-07    0.600714E+03  0.243644E-10 0.100000E-04    0.351807E+00
  11    0.164125E-07    0.586366E+03 -0.279902E-10 0.100000E-04    0.801418E+00
  12   -0.102050E-05    0.578890E+03  0.176286E-08 0.100000E-04    0.942067E+00
  13    0.531421E-07    0.564892E+03 -0.940748E-10 0.100000E-04    0.928780E+00
  14    0.426538E-06    0.487452E+03 -0.875035E-09 0.100000E-04    0.932634E+00
  15   -0.425464E-06    0.460603E+03  0.923711E-09 0.100000E-04    0.938155E+00
  16   -0.108565E-06    0.459770E+03  0.236129E-09 0.100000E-04    0.801190E+00
  17   -0.556228E-06    0.441662E+03  0.125940E-08 0.100000E-04    0.905727E+00
  18   -0.408822E-06    0.429388E+03  0.952103E-09 0.100000E-04    0.931807E+00
  19   -0.169385E-06    0.421902E+03  0.401478E-09 0.100000E-04    0.707547E+00
  20   -0.369002E-06    0.407937E+03  0.904556E-09 0.100000E-04    0.921800E+00
  21   -0.415107E-06    0.396334E+03  0.104737E-08 0.100000E-04    0.918702E+00
  22   -0.650983E-06    0.387462E+03  0.168012E-08 0.100000E-04    0.989222E+00
  23    0.790254E-06    0.370032E+03 -0.213564E-08 0.100000E-04    0.922609E+00
  24   -0.437556E-06    0.360569E+03  0.121351E-08 0.100000E-04    0.976357E+00
  25   -0.100659E-06    0.349342E+03  0.288140E-09 0.100000E-04    0.367324E+00
  26   -0.102111E-06    0.335300E+03  0.304536E-09 0.100000E-04    0.309399E+00
  27    0.344113E-06    0.329308E+03 -0.104496E-08 0.100000E-04    0.884574E+00
  28   -0.366803E-06    0.321829E+03  0.113974E-08 0.100000E-04    0.892887E+00
  29   -0.253686E-07    0.319129E+03  0.794934E-10 0.100000E-04    0.257727E+00
  30   -0.135742E-05    0.309389E+03  0.438741E-08 0.100000E-04    0.958447E+00
  31   -0.102760E-05    0.300815E+03  0.341606E-08 0.100000E-04    0.954016E+00
  32   -0.123858E-05    0.290601E+03  0.426214E-08 0.100000E-04    0.967205E+00
  33    0.114840E-07    0.279001E+03 -0.411612E-10 0.100000E-04    0.301703E+00
  34   -0.850790E-07    0.272738E+03  0.311945E-09 0.100000E-04    0.538980E+00
  35    0.103827E-05    0.268539E+03 -0.386636E-08 0.100000E-04    0.967201E+00
  36    0.127345E-05    0.264955E+03 -0.480629E-08 0.100000E-04    0.981274E+00
  37   -0.467995E-06    0.263839E+03  0.177379E-08 0.100000E-04    0.894067E+00
  38   -0.150324E-06    0.253213E+03  0.593666E-09 0.100000E-04    0.981458E+00
  39   -0.398326E-06    0.241575E+03  0.164887E-08 0.100000E-04    0.880732E+00
  40   -0.128989E-05    0.240776E+03  0.535722E-08 0.100000E-04    0.984583E+00
  41   -0.102808E-05    0.234016E+03  0.439321E-08 0.100000E-04    0.992917E+00
  42   -0.170111E-05    0.227521E+03  0.747673E-08 0.100000E-04    0.961706E+00
  43   -0.214111E-07    0.217136E+03  0.986066E-10 0.100000E-04    0.862985E+00
  44   -0.198288E-05    0.214893E+03  0.922731E-08 0.100000E-04    0.966484E+00
  45    0.718819E-06    0.213259E+03 -0.337063E-08 0.100000E-04    0.984647E+00
  46    0.109382E-05    0.207678E+03 -0.526689E-08 0.100000E-04    0.982661E+00
  47   -0.756906E-06    0.202997E+03  0.372866E-08 0.100000E-04    0.964777E+00
  48   -0.115898E-05    0.195430E+03  0.593040E-08 0.100000E-04    0.924508E+00
  49    0.938841E-06    0.194843E+03 -0.481845E-08 0.100000E-04    0.948014E+00
  50    0.120756E-05    0.191364E+03 -0.631025E-08 0.100000E-04    0.876238E+00
  51    0.203911E-06    0.182962E+03 -0.111450E-08 0.100000E-04    0.858350E+00
  52   -0.573850E-06    0.174360E+03  0.329117E-08 0.100000E-04    0.925287E+00
  53    0.122791E-06    0.172338E+03 -0.712499E-09 0.100000E-04    0.742457E+00
  54   -0.234591E-06    0.168217E+03  0.139457E-08 0.100000E-04    0.938073E+00
  55   -0.860577E-06    0.163220E+03  0.527248E-08 0.100000E-04    0.997612E+00
  56    0.135792E-05    0.156873E+03 -0.865619E-08 0.100000E-04    0.970826E+00
  57   -0.331230E-06    0.154914E+03  0.213816E-08 0.100000E-04    0.830486E+00
  58    0.925186E-06    0.152255E+03 -0.607658E-08 0.100000E-04    0.998969E+00
  59   -0.654071E-06    0.146663E+03  0.445969E-08 0.100000E-04    0.995796E+00
  60   -0.163598E-06    0.143346E+03  0.114128E-08 0.100000E-04    0.732619E+00
  61   -0.827108E-06    0.138095E+03  0.598941E-08 0.100000E-04    0.814942E+00
  62    0.942758E-06    0.135873E+03 -0.693851E-08 0.100000E-04    0.968130E+00
  63    0.195971E-05    0.130290E+03 -0.150411E-07 0.100000E-04    0.913376E+00
  64   -0.333672E-07    0.128841E+03  0.258980E-09 0.100000E-04    0.233340E+00
  65    0.122788E-05    0.126899E+03 -0.967601E-08 0.100000E-04    0.881724E+00
  66   -0.597670E-06    0.124069E+03  0.481722E-08 0.100000E-04    0.881195E+00
  67    0.184460E-05    0.120012E+03 -0.153701E-07 0.100000E-04    0.957947E+00
  68    0.433876E-06    0.118168E+03 -0.367169E-08 0.100000E-04    0.927412E+00
  69   -0.112881E-07    0.116836E+03  0.966148E-10 0.109000E-04    0.160393E+00
  70   -0.132092E-05    0.110364E+03  0.119688E-07 0.100000E-04    0.941700E+00
  71   -0.667676E-06    0.106826E+03  0.625015E-08 0.100000E-04    0.914847E+00
  72   -0.112575E-05    0.104454E+03  0.107774E-07 0.100000E-04    0.851092E+00
  73    0.133635E-06    0.102856E+03 -0.129924E-08 0.100000E-04    0.742932E+00
  74    0.907207E-07    0.995122E+02 -0.911655E-09 0.109000E-04    0.189670E-01
  75   -0.271223E-06    0.960896E+02  0.282261E-08 0.109000E-04    0.534993E-01
  76    0.192543E-06    0.941025E+02 -0.204610E-08 0.100000E-04    0.854849E+00
  77    0.157764E-05    0.919669E+02 -0.171545E-07 0.100000E-04    0.959040E+00
  78    0.831542E-06    0.912322E+02 -0.911457E-08 0.100000E-04    0.965813E+00
  79   -0.709858E-06    0.884170E+02  0.802852E-08 0.100000E-04    0.981597E+00
  80   -0.485783E-06    0.856102E+02  0.567436E-08 0.100000E-04    0.911615E+00
  81    0.129213E-05    0.808350E+02 -0.159848E-07 0.100000E-04    0.990097E+00
  82   -0.121309E-05    0.805046E+02  0.150686E-07 0.100000E-04    0.929906E+00
  83    0.315346E-06    0.779559E+02 -0.404518E-08 0.100000E-04    0.785623E+00
  84    0.244243E-06    0.732842E+02 -0.333282E-08 0.100000E-04    0.524106E+00
  85    0.194131E-05    0.725538E+02 -0.267568E-07 0.100000E-04    0.886123E+00
  86    0.521862E-06    0.679163E+02 -0.768390E-08 0.100000E-04    0.838172E+00
  87   -0.754777E-06    0.647517E+02  0.116565E-07 0.100000E-04    0.781146E+00
  88   -0.126703E-05    0.613474E+02  0.206534E-07 0.100000E-04    0.970436E+00
  89    0.202587E-05    0.598358E+02 -0.338572E-07 0.100000E-04    0.941669E+00
  90   -0.218166E-05    0.594009E+02  0.367276E-07 0.100000E-04    0.974173E+00
  91    0.274258E-05    0.581361E+02 -0.471752E-07 0.100000E-04    0.913435E+00
  92    0.348257E-05    0.558734E+02 -0.623296E-07 0.100000E-04    0.944505E+00
  93    0.326901E-05    0.524454E+02 -0.623318E-07 0.100000E-04    0.979600E+00
  94    0.733473E-06    0.520281E+02 -0.140977E-07 0.100000E-04    0.835666E+00
  95   -0.182689E-05    0.502438E+02  0.363605E-07 0.100000E-04    0.878681E+00
  96    0.112764E-05    0.461562E+02 -0.244311E-07 0.100000E-04    0.911701E+00
  97   -0.298731E-05    0.433434E+02  0.689218E-07 0.100000E-04    0.879296E+00
  98   -0.454059E-06    0.409169E+02  0.110971E-07 0.100000E-04    0.636958E+00
  99    0.172356E-05    0.378677E+02 -0.455153E-07 0.100000E-04    0.796505E+00
 100    0.147786E-05    0.362064E+02 -0.408177E-07 0.100000E-04    0.884415E+00
 101   -0.104490E-04    0.322666E+02  0.323834E-06 0.100000E-04    0.934999E+00
 102    0.618328E-07    0.289034E+02 -0.213929E-08 0.100000E-04    0.288243E+00
 103   -0.253781E-05    0.284530E+02  0.891932E-07 0.100000E-04    0.958217E+00
 104   -0.178397E-05    0.263004E+02  0.678306E-07 0.100000E-04    0.773650E+00
 105   -0.586087E-05    0.233324E+02  0.251190E-06 0.100000E-04    0.923038E+00
 106    0.527684E-05    0.213282E+02 -0.247412E-06 0.100000E-04    0.959610E+00
 107   -0.198614E-04    0.198534E+02  0.100040E-05 0.100000E-04    0.915011E+00
 108   -0.225838E-04    0.164553E+02  0.137244E-05 0.100000E-04    0.926385E+00
 109    0.562546E-05    0.139090E+02 -0.404448E-06 0.100000E-04    0.953183E+00
 110   -0.867667E-05    0.122434E+02  0.708680E-06 0.100000E-04    0.842923E+00
 111   -0.566113E-06    0.100899E+02  0.561069E-07 0.100000E-04    0.511289E+00
 112    0.325849E-01    0.907059E+01 -0.100000E-04 0.100000E-04    0.584092E+00
 113    0.958591E-01    0.574809E+01 -0.219964E-04 0.219964E-04    0.151070E+00
 114    0.913475E+00    0.316805E+01  0.100000E-04 0.100000E-04    0.769443E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2199641535E-04    0.2676795034    

 Beginning of optimization cycle  611.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994187894
 potential> RMS force:                                               0.0860801106   |gradient|=.9190840772    
 Eigenvalues of the Hessian matrix:
   746.69557    674.04982    630.70255    600.71211    586.36521    578.89058 
   564.88810    487.45196    460.60177    459.76947    441.66180    429.38973 
   421.90158    407.93578    396.33381    387.46045    370.03261    360.56897 
   349.34100    335.30108    329.30865    321.82903    319.12943    309.38736 
   300.81418    290.60133    279.00237    272.73807    268.53905    264.95550 
   263.83920    253.21290    241.57500    240.77660    234.01641    227.52109 
   217.13718    214.89283    213.25913    207.67863    202.99658    195.42885 
   194.84333    191.36478    182.96302    174.36117    172.33819    168.21710 
   163.22009    156.87297    154.91426    152.25437    146.66223    143.34550 
   138.09561    135.87320    130.28998    128.84096    126.89955    124.06825 
   120.01230    118.16827    116.83560    110.36417    106.82533    104.45462 
   102.85577     99.51208     96.08938     94.10223     91.96653     91.23243 
    88.41652     85.61055     80.83513     80.50530     77.95563     73.28395 
    72.55322     67.91599     64.75119     61.34698     59.83553     59.40105 
    58.13603     55.87319     52.44529     52.02767     50.24442     46.15572 
    43.34399     40.91701     37.86769     36.20604     32.26621     28.90369 
    28.45301     26.30066     23.33234     21.32839     19.85334     16.45515 
    13.90904     12.24344     10.08984      9.07214      5.74828      3.16775 
overlap for current and previous eigenvector    109 is         0.9999999882
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999685
overlap for current and previous eigenvector    112 is         0.9999999313
overlap for current and previous eigenvector    113 is         0.9999999293
overlap for current and previous eigenvector    114 is         0.9999999650
J1,K1,R1,R2,RAT=   7   7    0.3669510618E-02     1.996319938        0.9963199376    
FOB,PFOB,DIAG,PSTEP=   -0.1756710205E-06   -0.1763180248E-06     746.6955700        0.2361323170E-09
J1,K1,R1,R2,RAT=   8   8   -0.4371163239E-01     2.043715729        0.9562883676    
FOB,PFOB,DIAG,PSTEP=   -0.4202714794E-06   -0.4026701461E-06     674.0498161        0.5973880738E-09
J1,K1,R1,R2,RAT=   9   9   -0.4676725808E-01     2.046757647        0.9532327419    
FOB,PFOB,DIAG,PSTEP=   -0.7492422514E-06   -0.7157676023E-06     630.7025502        0.1134878941E-08
J1,K1,R1,R2,RAT=  10  10    -1.566478894         3.566486551        0.5664788941    
FOB,PFOB,DIAG,PSTEP=   -0.3756304019E-07   -0.1463605567E-07     600.7121109        0.2436441578E-10
J1,K1,R1,R2,RAT=  11  11   -0.1431732899         2.143175275        0.8568267101    
FOB,PFOB,DIAG,PSTEP=    0.1876232891E-07    0.1641249967E-07     586.3652116       -0.2799020653E-10
J1,K1,R1,R2,RAT= 109 109   -0.4262033119E-01     2.042611701        0.9573796688    
FOB,PFOB,DIAG,PSTEP=    0.5865221852E-05    0.5625461774E-05     13.90903942       -0.4044482066E-06
J1,K1,R1,R2,RAT= 110 110   -0.1540738403         2.154070666        0.8459261597    
FOB,PFOB,DIAG,PSTEP=   -0.1001352166E-04   -0.8676671450E-05     12.24343792        0.7086804599E-06
J1,K1,R1,R2,RAT= 111 111   -0.9831403407         2.983154234        0.1685965930E-01
FOB,PFOB,DIAG,PSTEP=   -0.1122678603E-05   -0.5661134746E-06     10.08984410        0.5610686708E-07
J1,K1,R1,R2,RAT= 112 112    0.3856895336         717.9644549        0.6143104664    
FOB,PFOB,DIAG,PSTEP=    0.3254988405E-01    0.3258487435E-01     9.072142494       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7959487906         1517.055948        0.2040512094    
FOB,PFOB,DIAG,PSTEP=    0.9595971939E-01    0.9585907845E-01     5.748276571       -0.2199641535E-04
J1,K1,R1,R2,RAT= 114 114    0.1849616827        -57673.61863        0.8150383173    
FOB,PFOB,DIAG,PSTEP=    0.9134811311        0.9134752719         3.167750605        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03255      0.09596      0.91348 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3822955800
 Log product of positive Hessian eigenvalues =          519.0721858792
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1677506048
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=        0.0000000071
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000162
 Unscaled step for mode   64=        0.0000000009
 Unscaled step for mode   65=       -0.0000000108
 Unscaled step for mode   66=        0.0000000054
 Unscaled step for mode   67=       -0.0000000159
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=        0.0000000126
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=        0.0000000096
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000016
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=        0.0000000166
 Unscaled step for mode   78=        0.0000000093
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000061
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000160
 Unscaled step for mode   83=       -0.0000000034
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000297
 Unscaled step for mode   86=       -0.0000000089
 Unscaled step for mode   87=        0.0000000143
 Unscaled step for mode   88=        0.0000000200
 Unscaled step for mode   89=       -0.0000000356
 Unscaled step for mode   90=        0.0000000375
 Unscaled step for mode   91=       -0.0000000505
 Unscaled step for mode   92=       -0.0000000652
 Unscaled step for mode   93=       -0.0000000632
 Unscaled step for mode   94=       -0.0000000123
 Unscaled step for mode   95=        0.0000000407
 Unscaled step for mode   96=       -0.0000000261
 Unscaled step for mode   97=        0.0000000766
 Unscaled step for mode   98=        0.0000000166
 Unscaled step for mode   99=       -0.0000000552
 Unscaled step for mode  100=       -0.0000000452
 Unscaled step for mode  101=        0.0000003410
 Unscaled step for mode  102=        0.0000000055
 Unscaled step for mode  103=        0.0000000924
 Unscaled step for mode  104=        0.0000000584
 Unscaled step for mode  105=        0.0000002677
 Unscaled step for mode  106=       -0.0000002554
 Unscaled step for mode  107=        0.0000010739
 Unscaled step for mode  108=        0.0000014586
 Unscaled step for mode  109=       -0.0000004217
 Unscaled step for mode  110=        0.0000008179
 Unscaled step for mode  111=        0.0000001113
 Unscaled step for mode  112=       -0.0035878476
 Unscaled step for mode  113=       -0.0166890008
 Unscaled step for mode  114=        0.2677030712
 Largest modulus ratio of non-zero e/values=           235.7179157    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.496781E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.237717E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.647702E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.409178E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.469022E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.340086E-14    0.974302E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175671E-06    0.746696E+03  0.235265E-09 0.100000E-04    0.996320E+00
   8   -0.420271E-06    0.674050E+03  0.623502E-09 0.100000E-04    0.956288E+00
   9   -0.749242E-06    0.630703E+03  0.118795E-08 0.100000E-04    0.953233E+00
  10   -0.375630E-07    0.600712E+03  0.625309E-10 0.100000E-04    0.566479E+00
  11    0.187623E-07    0.586365E+03 -0.319977E-10 0.100000E-04    0.856827E+00
  12   -0.107225E-05    0.578891E+03  0.185225E-08 0.100000E-04    0.949290E+00
  13    0.499766E-07    0.564888E+03 -0.884717E-10 0.100000E-04    0.940433E+00
  14    0.452734E-06    0.487452E+03 -0.928776E-09 0.100000E-04    0.938585E+00
  15   -0.448198E-06    0.460602E+03  0.973071E-09 0.100000E-04    0.946566E+00
  16   -0.130777E-06    0.459769E+03  0.284441E-09 0.100000E-04    0.795400E+00
  17   -0.604704E-06    0.441662E+03  0.136916E-08 0.100000E-04    0.912849E+00
  18   -0.432827E-06    0.429390E+03  0.100801E-08 0.100000E-04    0.941282E+00
  19   -0.137227E-06    0.421902E+03  0.325259E-09 0.100000E-04    0.810151E+00
  20   -0.394599E-06    0.407936E+03  0.967306E-09 0.100000E-04    0.930632E+00
  21   -0.445356E-06    0.396334E+03  0.112369E-08 0.100000E-04    0.927129E+00
  22   -0.655239E-06    0.387460E+03  0.169111E-08 0.100000E-04    0.993462E+00
  23    0.845072E-06    0.370033E+03 -0.228378E-08 0.100000E-04    0.930633E+00
  24   -0.445852E-06    0.360569E+03  0.123652E-08 0.100000E-04    0.981040E+00
  25   -0.674248E-07    0.349341E+03  0.193006E-09 0.100000E-04    0.669832E+00
  26   -0.555901E-07    0.335301E+03  0.165792E-09 0.100000E-04    0.544406E+00
  27    0.380040E-06    0.329309E+03 -0.115405E-08 0.100000E-04    0.895595E+00
  28   -0.401743E-06    0.321829E+03  0.124831E-08 0.100000E-04    0.904744E+00
  29   -0.821447E-07    0.319129E+03  0.257403E-09 0.100000E-04    0.123804E+01
  30   -0.140007E-05    0.309387E+03  0.452531E-08 0.100000E-04    0.968574E+00
  31   -0.106735E-05    0.300814E+03  0.354821E-08 0.100000E-04    0.961316E+00
  32   -0.127054E-05    0.290601E+03  0.437212E-08 0.100000E-04    0.974197E+00
  33   -0.288887E-07    0.279002E+03  0.103543E-09 0.100000E-04    0.515554E+00
  34   -0.438907E-07    0.272738E+03  0.160926E-09 0.100000E-04    0.515879E+00
  35    0.106408E-05    0.268539E+03 -0.396250E-08 0.100000E-04    0.975133E+00
  36    0.129161E-05    0.264956E+03 -0.487482E-08 0.100000E-04    0.985740E+00
  37   -0.514235E-06    0.263839E+03  0.194905E-08 0.100000E-04    0.901196E+00
  38   -0.147718E-06    0.253213E+03  0.583374E-09 0.100000E-04    0.982662E+00
  39   -0.365594E-06    0.241575E+03  0.151338E-08 0.100000E-04    0.917824E+00
  40   -0.130448E-05    0.240777E+03  0.541781E-08 0.100000E-04    0.988688E+00
  41   -0.102236E-05    0.234016E+03  0.436874E-08 0.100000E-04    0.994427E+00
  42   -0.175095E-05    0.227521E+03  0.769575E-08 0.100000E-04    0.970704E+00
  43   -0.227300E-07    0.217137E+03  0.104680E-09 0.100000E-04    0.938401E+00
  44   -0.203714E-05    0.214893E+03  0.947981E-08 0.100000E-04    0.972635E+00
  45    0.707650E-06    0.213259E+03 -0.331826E-08 0.100000E-04    0.984462E+00
  46    0.111079E-05    0.207679E+03 -0.534861E-08 0.100000E-04    0.984482E+00
  47   -0.779841E-06    0.202997E+03  0.384165E-08 0.100000E-04    0.969699E+00
  48   -0.123303E-05    0.195429E+03  0.630935E-08 0.100000E-04    0.936103E+00
  49    0.982002E-06    0.194843E+03 -0.503996E-08 0.100000E-04    0.954027E+00
  50    0.134605E-05    0.191365E+03 -0.703393E-08 0.100000E-04    0.885314E+00
  51    0.230980E-06    0.182963E+03 -0.126244E-08 0.100000E-04    0.867251E+00
  52   -0.610210E-06    0.174361E+03  0.349969E-08 0.100000E-04    0.936638E+00
  53    0.102786E-06    0.172338E+03 -0.596419E-09 0.100000E-04    0.837079E+00
  54   -0.222431E-06    0.168217E+03  0.132229E-08 0.100000E-04    0.948163E+00
  55   -0.854416E-06    0.163220E+03  0.523475E-08 0.100000E-04    0.992841E+00
  56    0.139087E-05    0.156873E+03 -0.886622E-08 0.100000E-04    0.975737E+00
  57   -0.389071E-06    0.154914E+03  0.251152E-08 0.100000E-04    0.825375E+00
  58    0.922761E-06    0.152254E+03 -0.606066E-08 0.100000E-04    0.997379E+00
  59   -0.654088E-06    0.146662E+03  0.445983E-08 0.100000E-04    0.999975E+00
  60   -0.214670E-06    0.143345E+03  0.149757E-08 0.100000E-04    0.687814E+00
  61   -0.982339E-06    0.138096E+03  0.711347E-08 0.100000E-04    0.812322E+00
  62    0.965982E-06    0.135873E+03 -0.710944E-08 0.100000E-04    0.975365E+00
  63    0.210936E-05    0.130290E+03 -0.161897E-07 0.100000E-04    0.923634E+00
  64   -0.122246E-06    0.128841E+03  0.948812E-09 0.100000E-04    0.166365E+01
  65    0.136524E-05    0.126900E+03 -0.107584E-07 0.100000E-04    0.888132E+00
  66   -0.666251E-06    0.124068E+03  0.537003E-08 0.100000E-04    0.885253E+00
  67    0.190873E-05    0.120012E+03 -0.159045E-07 0.100000E-04    0.965231E+00
  68    0.461639E-06    0.118168E+03 -0.390662E-08 0.100000E-04    0.936013E+00
  69   -0.639267E-07    0.116836E+03  0.547151E-09 0.100000E-04    0.366322E+01
  70   -0.138697E-05    0.110364E+03  0.125672E-07 0.100000E-04    0.949998E+00
  71   -0.719124E-06    0.106825E+03  0.673177E-08 0.100000E-04    0.922944E+00
  72   -0.100524E-05    0.104455E+03  0.962367E-08 0.100000E-04    0.892947E+00
  73    0.171393E-06    0.102856E+03 -0.166634E-08 0.100000E-04    0.717452E+00
  74    0.513838E-07    0.995121E+02 -0.516358E-09 0.100000E-04    0.566395E+00
  75   -0.153078E-06    0.960894E+02  0.159308E-08 0.100000E-04    0.564399E+00
  76    0.217974E-06    0.941022E+02 -0.231635E-08 0.100000E-04    0.867919E+00
  77   -0.152316E-05    0.919665E+02  0.165622E-07 0.100000E-04    0.965468E+00
  78   -0.852009E-06    0.912324E+02  0.933889E-08 0.100000E-04    0.975387E+00
  79   -0.717973E-06    0.884165E+02  0.812035E-08 0.100000E-04    0.988567E+00
  80   -0.526044E-06    0.856106E+02  0.614462E-08 0.100000E-04    0.917122E+00
  81    0.129925E-05    0.808351E+02 -0.160729E-07 0.100000E-04    0.994489E+00
  82   -0.128721E-05    0.805053E+02  0.159892E-07 0.100000E-04    0.938899E+00
  83    0.268331E-06    0.779556E+02 -0.344210E-08 0.100000E-04    0.850911E+00
  84    0.427197E-06    0.732839E+02 -0.582934E-08 0.100000E-04    0.250932E+00
  85    0.215222E-05    0.725532E+02 -0.296640E-07 0.100000E-04    0.891357E+00
  86    0.603157E-06    0.679160E+02 -0.888092E-08 0.100000E-04    0.844221E+00
  87   -0.924626E-06    0.647512E+02  0.142797E-07 0.100000E-04    0.774966E+00
  88   -0.122959E-05    0.613470E+02  0.200433E-07 0.100000E-04    0.970453E+00
  89    0.213067E-05    0.598355E+02 -0.356087E-07 0.100000E-04    0.948272E+00
  90   -0.222472E-05    0.594010E+02  0.374525E-07 0.100000E-04    0.980262E+00
  91    0.293480E-05    0.581360E+02 -0.504816E-07 0.100000E-04    0.929912E+00
  92    0.364061E-05    0.558732E+02 -0.651584E-07 0.100000E-04    0.954620E+00
  93    0.331294E-05    0.524453E+02 -0.631695E-07 0.100000E-04    0.986563E+00
  94    0.640867E-06    0.520277E+02 -0.123178E-07 0.100000E-04    0.873741E+00
  95   -0.204304E-05    0.502444E+02  0.406621E-07 0.100000E-04    0.881685E+00
  96    0.120487E-05    0.461557E+02 -0.261044E-07 0.100000E-04    0.931517E+00
  97   -0.332155E-05    0.433440E+02  0.766324E-07 0.100000E-04    0.888113E+00
  98   -0.677720E-06    0.409170E+02  0.165633E-07 0.100000E-04    0.507420E+00
  99    0.209145E-05    0.378677E+02 -0.552306E-07 0.100000E-04    0.786550E+00
 100    0.163626E-05    0.362060E+02 -0.451930E-07 0.100000E-04    0.892818E+00
 101   -0.110029E-04    0.322662E+02  0.341002E-06 0.100000E-04    0.946997E+00
 102   -0.158640E-06    0.289037E+02  0.548859E-08 0.100000E-04    0.565619E+00
 103   -0.263021E-05    0.284530E+02  0.924404E-07 0.100000E-04    0.963591E+00
 104   -0.153567E-05    0.263007E+02  0.583890E-07 0.100000E-04    0.860795E+00
 105   -0.624699E-05    0.233323E+02  0.267740E-06 0.100000E-04    0.934118E+00
 106    0.544673E-05    0.213284E+02 -0.255374E-06 0.100000E-04    0.967806E+00
 107   -0.213209E-04    0.198533E+02  0.107392E-05 0.100000E-04    0.926513E+00
 108   -0.240018E-04    0.164551E+02  0.145862E-05 0.100000E-04    0.937212E+00
 109    0.586522E-05    0.139090E+02 -0.421684E-06 0.100000E-04    0.957380E+00
 110   -0.100135E-04    0.122434E+02  0.817868E-06 0.100000E-04    0.845926E+00
 111   -0.112268E-05    0.100898E+02  0.111268E-06 0.109000E-04    0.168597E-01
 112    0.325499E-01    0.907214E+01 -0.100000E-04 0.100000E-04    0.614310E+00
 113    0.959597E-01    0.574828E+01 -0.198166E-04 0.198166E-04    0.204051E+00
 114    0.913481E+00    0.316775E+01  0.100000E-04 0.100000E-04    0.815038E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1981659041E-04    0.2677030712    

 Beginning of optimization cycle  612.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994118799
 potential> RMS force:                                               0.0860816447   |gradient|=.9191004567    
 Eigenvalues of the Hessian matrix:
   746.69939    674.04866    630.70546    600.70980    586.36471    578.89080 
   564.88428    487.45169    460.60047    459.76893    441.66124    429.39090 
   421.90097    407.93421    396.33327    387.45903    370.03308    360.56911 
   349.34023    335.30169    329.30950    321.82883    319.12998    309.38623 
   300.81355    290.60138    279.00375    272.73851    268.53924    264.95581 
   263.83976    253.21227    241.57522    240.77700    234.01713    227.52135 
   217.13782    214.89297    213.25885    207.67909    202.99618    195.42806 
   194.84365    191.36524    182.96370    174.36187    172.33842    168.21735 
   163.21977    156.87274    154.91475    152.25420    146.66165    143.34513 
   138.09610    135.87320    130.28975    128.84116    126.89976    124.06719 
   120.01248    118.16841    116.83520    110.36440    106.82519    104.45486 
   102.85585     99.51202     96.08920     94.10203     91.96611     91.23263 
    88.41602     85.61084     80.83520     80.50595     77.95542     73.28377 
    72.55270     67.91574     64.75075     61.34651     59.83530     59.40116 
    58.13601     55.87300     52.44519     52.02732     50.24499     46.15533 
    43.34453     40.91712     37.86766     36.20576     32.26584     28.90401 
    28.45307     26.30092     23.33223     21.32864     19.85323     16.45505 
    13.90910     12.24346     10.08977      9.07360      5.74845      3.16746 
overlap for current and previous eigenvector    109 is         0.9999999898
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999737
overlap for current and previous eigenvector    112 is         0.9999999408
overlap for current and previous eigenvector    113 is         0.9999999378
overlap for current and previous eigenvector    114 is         0.9999999697
J1,K1,R1,R2,RAT=   7   7   -0.1069819758E-01     2.010687969        0.9893018024    
FOB,PFOB,DIAG,PSTEP=   -0.1775503934E-06   -0.1756710205E-06     746.6993889        0.2352645811E-09
J1,K1,R1,R2,RAT=   8   8    0.5014026160E-01     1.949863154        0.9498597384    
FOB,PFOB,DIAG,PSTEP=   -0.3991989935E-06   -0.4202714794E-06     674.0486650        0.6235021053E-09
J1,K1,R1,R2,RAT=   9   9    0.5420201042E-01     1.945788769        0.9457887691    
FOB,PFOB,DIAG,PSTEP=   -0.7086316278E-06   -0.7492422514E-06     630.7054579        0.1187948663E-08
J1,K1,R1,R2,RAT=  10  10    0.7060892593         1.293918439        0.2939107407    
FOB,PFOB,DIAG,PSTEP=   -0.1104028305E-07   -0.3756304019E-07     600.7097987        0.6253085215E-10
J1,K1,R1,R2,RAT=  11  11    0.2110575411         1.788944173        0.7889424589    
FOB,PFOB,DIAG,PSTEP=    0.1480240130E-07    0.1876232891E-07     586.3647089       -0.3199768427E-10
J1,K1,R1,R2,RAT= 109 109    0.4608372655E-01     1.953907813        0.9539078127    
FOB,PFOB,DIAG,PSTEP=    0.5594929429E-05    0.5865221852E-05     13.90909826       -0.4216841779E-06
J1,K1,R1,R2,RAT= 110 110    0.1586104613         1.841386268        0.8413862683    
FOB,PFOB,DIAG,PSTEP=   -0.8425269775E-05   -0.1001352166E-04     12.24345794        0.8178684553E-06
J1,K1,R1,R2,RAT= 111 111    0.4766869103         1.523327342        0.5233130897    
FOB,PFOB,DIAG,PSTEP=   -0.5875162220E-06   -0.1122678603E-05     10.08977220        0.1112681812E-06
J1,K1,R1,R2,RAT= 112 112    0.4223939758         717.0410123        0.5776060242    
FOB,PFOB,DIAG,PSTEP=    0.3251155771E-01    0.3254988405E-01     9.073601181       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8539313182         1685.620135        0.1460686818    
FOB,PFOB,DIAG,PSTEP=    0.9605699462E-01    0.9595971939E-01     5.748445125       -0.1981659041E-04
J1,K1,R1,R2,RAT= 114 114    0.2406101590        -57679.32966        0.7593898410    
FOB,PFOB,DIAG,PSTEP=    0.9134887523        0.9134811311         3.167460326        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03251      0.09606      0.91349 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3822733295
 Log product of positive Hessian eigenvalues =          519.0722582530
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1674603260
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000000
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000032
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000058
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=       -0.0000000148
 Unscaled step for mode   64=        0.0000000001
 Unscaled step for mode   65=       -0.0000000095
 Unscaled step for mode   66=        0.0000000047
 Unscaled step for mode   67=       -0.0000000152
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000118
 Unscaled step for mode   71=        0.0000000062
 Unscaled step for mode   72=        0.0000000110
 Unscaled step for mode   73=       -0.0000000012
 Unscaled step for mode   74=       -0.0000000010
 Unscaled step for mode   75=        0.0000000030
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000172
 Unscaled step for mode   78=       -0.0000000090
 Unscaled step for mode   79=        0.0000000080
 Unscaled step for mode   80=        0.0000000056
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000149
 Unscaled step for mode   83=       -0.0000000041
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000263
 Unscaled step for mode   86=       -0.0000000074
 Unscaled step for mode   87=        0.0000000111
 Unscaled step for mode   88=        0.0000000206
 Unscaled step for mode   89=       -0.0000000336
 Unscaled step for mode   90=        0.0000000365
 Unscaled step for mode   91=       -0.0000000461
 Unscaled step for mode   92=       -0.0000000616
 Unscaled step for mode   93=       -0.0000000619
 Unscaled step for mode   94=       -0.0000000143
 Unscaled step for mode   95=        0.0000000357
 Unscaled step for mode   96=       -0.0000000238
 Unscaled step for mode   97=        0.0000000673
 Unscaled step for mode   98=        0.0000000103
 Unscaled step for mode   99=       -0.0000000438
 Unscaled step for mode  100=       -0.0000000400
 Unscaled step for mode  101=        0.0000003189
 Unscaled step for mode  102=       -0.0000000039
 Unscaled step for mode  103=        0.0000000886
 Unscaled step for mode  104=        0.0000000707
 Unscaled step for mode  105=        0.0000002472
 Unscaled step for mode  106=       -0.0000002452
 Unscaled step for mode  107=        0.0000009826
 Unscaled step for mode  108=        0.0000013515
 Unscaled step for mode  109=       -0.0000004022
 Unscaled step for mode  110=        0.0000006881
 Unscaled step for mode  111=        0.0000000582
 Unscaled step for mode  112=       -0.0035830471
 Unscaled step for mode  113=       -0.0167054196
 Unscaled step for mode  114=        0.2677262579
 Largest modulus ratio of non-zero e/values=           235.7407235    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.658544E-15    0.101908E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.277279E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.105703E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.179002E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.289970E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.375269E-14    0.974302E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177550E-06    0.746699E+03  0.237780E-09 0.100000E-04    0.989302E+00
   8   -0.399199E-06    0.674049E+03  0.592241E-09 0.100000E-04    0.949860E+00
   9   -0.708632E-06    0.630705E+03  0.112355E-08 0.100000E-04    0.945789E+00
  10   -0.110403E-07    0.600710E+03  0.183787E-10 0.100000E-04    0.293911E+00
  11    0.148024E-07    0.586365E+03 -0.252444E-10 0.100000E-04    0.788942E+00
  12   -0.101068E-05    0.578891E+03  0.174589E-08 0.100000E-04    0.942577E+00
  13    0.534617E-07    0.564884E+03 -0.946419E-10 0.100000E-04    0.930265E+00
  14    0.422499E-06    0.487452E+03 -0.866750E-09 0.100000E-04    0.933217E+00
  15   -0.420663E-06    0.460600E+03  0.913292E-09 0.100000E-04    0.938563E+00
  16   -0.104306E-06    0.459769E+03  0.226867E-09 0.100000E-04    0.797588E+00
  17   -0.547845E-06    0.441661E+03  0.124042E-08 0.100000E-04    0.905972E+00
  18   -0.403463E-06    0.429391E+03  0.939618E-09 0.100000E-04    0.932152E+00
  19   -0.174929E-06    0.421901E+03  0.414621E-09 0.100000E-04    0.725259E+00
  20   -0.363882E-06    0.407934E+03  0.892012E-09 0.100000E-04    0.922157E+00
  21   -0.409283E-06    0.396333E+03  0.103267E-08 0.100000E-04    0.919001E+00
  22   -0.648336E-06    0.387459E+03  0.167330E-08 0.100000E-04    0.989465E+00
  23    0.780012E-06    0.370033E+03 -0.210795E-08 0.100000E-04    0.923011E+00
  24   -0.435502E-06    0.360569E+03  0.120782E-08 0.100000E-04    0.976785E+00
  25   -0.105777E-06    0.349340E+03  0.302790E-09 0.100000E-04    0.431189E+00
  26   -0.112551E-06    0.335302E+03  0.335672E-09 0.109000E-04    0.246625E-01
  27    0.335939E-06    0.329309E+03 -0.102013E-08 0.100000E-04    0.883953E+00
  28   -0.358513E-06    0.321829E+03  0.111399E-08 0.100000E-04    0.892393E+00
  29   -0.102819E-07    0.319130E+03  0.322185E-10 0.109000E-04    0.125166E+00
  30   -0.134231E-05    0.309386E+03  0.433863E-08 0.100000E-04    0.958744E+00
  31   -0.101876E-05    0.300814E+03  0.338668E-08 0.100000E-04    0.954475E+00
  32   -0.122936E-05    0.290601E+03  0.423041E-08 0.100000E-04    0.967587E+00
  33    0.198589E-07    0.279004E+03 -0.711779E-10 0.100000E-04    0.687419E+00
  34   -0.946440E-07    0.272739E+03  0.347014E-09 0.109000E-04    0.156355E+00
  35    0.102957E-05    0.268539E+03 -0.383397E-08 0.100000E-04    0.967565E+00
  36    0.126788E-05    0.264956E+03 -0.478527E-08 0.100000E-04    0.981629E+00
  37   -0.459776E-06    0.263840E+03  0.174264E-08 0.100000E-04    0.894093E+00
  38   -0.150449E-06    0.253212E+03  0.594162E-09 0.100000E-04    0.981511E+00
  39   -0.407344E-06    0.241575E+03  0.168620E-08 0.100000E-04    0.885801E+00
  40   -0.128474E-05    0.240777E+03  0.533581E-08 0.100000E-04    0.984863E+00
  41   -0.102958E-05    0.234017E+03  0.439961E-08 0.100000E-04    0.992932E+00
  42   -0.168454E-05    0.227521E+03  0.740386E-08 0.100000E-04    0.962070E+00
  43   -0.194253E-07    0.217138E+03  0.894608E-10 0.100000E-04    0.854606E+00
  44   -0.196979E-05    0.214893E+03  0.916637E-08 0.100000E-04    0.966935E+00
  45    0.718394E-06    0.213259E+03 -0.336865E-08 0.100000E-04    0.984817E+00
  46    0.109193E-05    0.207679E+03 -0.525779E-08 0.100000E-04    0.983017E+00
  47   -0.752772E-06    0.202996E+03  0.370831E-08 0.100000E-04    0.965288E+00
  48   -0.114005E-05    0.195428E+03  0.583360E-08 0.100000E-04    0.924591E+00
  49    0.931423E-06    0.194844E+03 -0.478036E-08 0.100000E-04    0.948491E+00
  50    0.117861E-05    0.191365E+03 -0.615896E-08 0.100000E-04    0.875606E+00
  51    0.197913E-06    0.182964E+03 -0.108171E-08 0.100000E-04    0.856832E+00
  52   -0.564693E-06    0.174362E+03  0.323863E-08 0.100000E-04    0.925400E+00
  53    0.127459E-06    0.172338E+03 -0.739584E-09 0.100000E-04    0.759957E+00
  54   -0.235892E-06    0.168217E+03  0.140231E-08 0.100000E-04    0.939483E+00
  55   -0.856572E-06    0.163220E+03  0.524797E-08 0.100000E-04    0.997477E+00
  56    0.135090E-05    0.156873E+03 -0.861146E-08 0.100000E-04    0.971264E+00
  57   -0.322680E-06    0.154915E+03  0.208295E-08 0.100000E-04    0.829353E+00
  58    0.921894E-06    0.152254E+03 -0.605496E-08 0.100000E-04    0.999060E+00
  59   -0.651474E-06    0.146662E+03  0.444202E-08 0.100000E-04    0.996004E+00
  60   -0.156000E-06    0.143345E+03  0.108828E-08 0.100000E-04    0.726696E+00
  61   -0.797834E-06    0.138096E+03  0.577738E-08 0.100000E-04    0.812171E+00
  62    0.935526E-06    0.135873E+03 -0.688529E-08 0.100000E-04    0.968472E+00
  63    0.192675E-05    0.130290E+03 -0.147882E-07 0.100000E-04    0.913428E+00
  64   -0.143690E-07    0.128841E+03  0.111525E-09 0.109000E-04    0.117540E+00
  65    0.120355E-05    0.126900E+03 -0.948422E-08 0.100000E-04    0.881561E+00
  66   -0.587022E-06    0.124067E+03  0.473149E-08 0.100000E-04    0.881082E+00
  67    0.182936E-05    0.120012E+03 -0.152431E-07 0.100000E-04    0.958412E+00
  68    0.428328E-06    0.118168E+03 -0.362473E-08 0.100000E-04    0.927840E+00
  69   -0.588788E-08    0.116835E+03  0.503947E-10 0.109000E-04    0.921006E-01
  70   -0.130678E-05    0.110364E+03  0.118406E-07 0.100000E-04    0.942178E+00
  71   -0.657944E-06    0.106825E+03  0.615907E-08 0.100000E-04    0.914924E+00
  72   -0.114879E-05    0.104455E+03  0.109980E-07 0.100000E-04    0.857190E+00
  73    0.126067E-06    0.102856E+03 -0.122567E-08 0.100000E-04    0.735544E+00
  74    0.954862E-07    0.995120E+02 -0.959544E-09 0.109000E-04    0.141707E+00
  75   -0.289909E-06    0.960892E+02  0.301708E-08 0.109000E-04    0.106138E+00
  76    0.186031E-06    0.941020E+02 -0.197690E-08 0.100000E-04    0.853452E+00
  77    0.158430E-05    0.919661E+02 -0.172270E-07 0.100000E-04    0.959862E+00
  78    0.823159E-06    0.912326E+02 -0.902264E-08 0.100000E-04    0.966134E+00
  79   -0.704870E-06    0.884160E+02  0.797220E-08 0.100000E-04    0.981749E+00
  80   -0.479670E-06    0.856108E+02  0.560291E-08 0.100000E-04    0.911837E+00
  81    0.128669E-05    0.808352E+02 -0.159174E-07 0.100000E-04    0.990328E+00
  82   -0.119742E-05    0.805059E+02  0.148737E-07 0.100000E-04    0.930229E+00
  83    0.323262E-06    0.779554E+02 -0.414676E-08 0.100000E-04    0.795286E+00
  84    0.209415E-06    0.732838E+02 -0.285759E-08 0.100000E-04    0.490206E+00
  85    0.190703E-05    0.725527E+02 -0.262848E-07 0.100000E-04    0.886077E+00
  86    0.504261E-06    0.679157E+02 -0.742481E-08 0.100000E-04    0.836037E+00
  87   -0.716703E-06    0.647508E+02  0.110686E-07 0.100000E-04    0.775126E+00
  88   -0.126576E-05    0.613465E+02  0.206329E-07 0.100000E-04    0.970591E+00
  89    0.200777E-05    0.598353E+02 -0.335549E-07 0.100000E-04    0.942319E+00
  90   -0.216785E-05    0.594012E+02  0.364951E-07 0.100000E-04    0.974435E+00
  91    0.267986E-05    0.581360E+02 -0.460964E-07 0.100000E-04    0.913132E+00
  92    0.343954E-05    0.558730E+02 -0.615600E-07 0.100000E-04    0.944771E+00
  93    0.324624E-05    0.524452E+02 -0.618978E-07 0.100000E-04    0.979867E+00
  94    0.742829E-06    0.520273E+02 -0.142777E-07 0.100000E-04    0.840898E+00
  95   -0.179531E-05    0.502450E+02  0.357311E-07 0.100000E-04    0.878720E+00
  96    0.109777E-05    0.461553E+02 -0.237842E-07 0.100000E-04    0.911110E+00
  97   -0.291923E-05    0.433445E+02  0.673494E-07 0.100000E-04    0.878851E+00
  98   -0.423300E-06    0.409171E+02  0.103453E-07 0.100000E-04    0.624590E+00
  99    0.165873E-05    0.378677E+02 -0.438033E-07 0.100000E-04    0.793098E+00
 100    0.144658E-05    0.362058E+02 -0.399544E-07 0.100000E-04    0.884074E+00
 101   -0.102896E-04    0.322658E+02  0.318901E-06 0.100000E-04    0.935175E+00
 102    0.113236E-06    0.289040E+02 -0.391765E-08 0.100000E-04    0.713770E+00
 103   -0.252171E-05    0.284531E+02  0.886269E-07 0.100000E-04    0.958744E+00
 104   -0.186059E-05    0.263009E+02  0.707425E-07 0.100000E-04    0.788416E+00
 105   -0.576677E-05    0.233322E+02  0.247159E-06 0.100000E-04    0.923128E+00
 106    0.522975E-05    0.213286E+02 -0.245199E-06 0.100000E-04    0.960142E+00
 107   -0.195084E-04    0.198532E+02  0.982629E-06 0.100000E-04    0.914987E+00
 108   -0.222387E-04    0.164551E+02  0.135148E-05 0.100000E-04    0.926543E+00
 109    0.559493E-05    0.139091E+02 -0.402250E-06 0.100000E-04    0.953908E+00
 110   -0.842527E-05    0.122435E+02  0.688145E-06 0.100000E-04    0.841386E+00
 111   -0.587516E-06    0.100898E+02  0.582289E-07 0.100000E-04    0.523313E+00
 112    0.325116E-01    0.907360E+01 -0.100000E-04 0.100000E-04    0.577606E+00
 113    0.960570E-01    0.574845E+01 -0.216001E-04 0.216001E-04    0.146069E+00
 114    0.913489E+00    0.316746E+01  0.100000E-04 0.100000E-04    0.759390E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2160008354E-04    0.2677262579    

 Beginning of optimization cycle  613.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2994051431
 potential> RMS force:                                               0.0860830773   |gradient|=.9191157529    
 Eigenvalues of the Hessian matrix:
   746.70329    674.04731    630.70846    600.70751    586.36414    578.89103 
   564.88022    487.45133    460.59913    459.76838    441.66065    429.39221 
   421.90034    407.93255    396.33269    387.45757    370.03356    360.56929 
   349.33950    335.30233    329.31040    321.82858    319.13065    309.38506 
   300.81296    290.60145    279.00524    272.73897    268.53949    264.95614 
   263.84040    253.21167    241.57552    240.77742    234.01793    227.52168 
   217.13855    214.89312    213.25856    207.67960    202.99576    195.42724 
   194.84403    191.36571    182.96444    174.36261    172.33866    168.21763 
   163.21944    156.87252    154.91527    152.25401    146.66104    143.34472 
   138.09663    135.87320    130.28949    128.84137    126.89996    124.06606 
   120.01266    118.16854    116.83477    110.36465    106.82501    104.45509 
   102.85592     99.51195     96.08900     94.10180     91.96570     91.23285 
    88.41551     85.61115     80.83528     80.50663     77.95520     73.28356 
    72.55212     67.91544     64.75029     61.34605     59.83506     59.40126 
    58.13596     55.87277     52.44509     52.02694     50.24559     46.15489 
    43.34511     40.91724     37.86762     36.20541     32.26545     28.90435 
    28.45313     26.30120     23.33214     21.32888     19.85314     16.45495 
    13.90916     12.24348     10.08970      9.07514      5.74863      3.16716 
overlap for current and previous eigenvector    109 is         0.9999999885
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999691
overlap for current and previous eigenvector    112 is         0.9999999328
overlap for current and previous eigenvector    113 is         0.9999999311
overlap for current and previous eigenvector    114 is         0.9999999661
J1,K1,R1,R2,RAT=   7   7    0.3658705161E-02     1.996330842        0.9963308417    
FOB,PFOB,DIAG,PSTEP=   -0.1769007855E-06   -0.1775503934E-06     746.7032916        0.2377802849E-09
J1,K1,R1,R2,RAT=   8   8   -0.4330711921E-01     2.043311127        0.9566928808    
FOB,PFOB,DIAG,PSTEP=   -0.4164871173E-06   -0.3991989935E-06     674.0473142        0.5922406115E-09
J1,K1,R1,R2,RAT=   9   9   -0.4633913739E-01     2.046329622        0.9536608626    
FOB,PFOB,DIAG,PSTEP=   -0.7414691624E-06   -0.7086316278E-06     630.7084588        0.1123553981E-08
J1,K1,R1,R2,RAT=  10  10    -2.041951121         4.041958757         1.041951121    
FOB,PFOB,DIAG,PSTEP=   -0.3358391535E-07   -0.1104028305E-07     600.7075052        0.1837872976E-10
J1,K1,R1,R2,RAT=  11  11   -0.1539029738         2.153904906        0.8460970262    
FOB,PFOB,DIAG,PSTEP=    0.1708053268E-07    0.1480240130E-07     586.3641424       -0.2524435914E-10
J1,K1,R1,R2,RAT= 109 109   -0.4192140237E-01     2.041912766        0.9580785976    
FOB,PFOB,DIAG,PSTEP=    0.5829477729E-05    0.5594929429E-05     13.90915832       -0.4022496156E-06
J1,K1,R1,R2,RAT= 110 110   -0.1558530157         2.155849742        0.8441469843    
FOB,PFOB,DIAG,PSTEP=   -0.9738375627E-05   -0.8425269775E-05     12.24347799        0.6881446249E-06
J1,K1,R1,R2,RAT= 111 111   -0.9350197449         2.935033537        0.6498025509E-01
FOB,PFOB,DIAG,PSTEP=   -0.1136851702E-05   -0.5875162220E-06     10.08970263        0.5822888864E-07
J1,K1,R1,R2,RAT= 112 112    0.3927526848         716.1042610        0.6072473152    
FOB,PFOB,DIAG,PSTEP=    0.3247591485E-01    0.3251155771E-01     9.075141162       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8004648396         1547.974529        0.1995351604    
FOB,PFOB,DIAG,PSTEP=    0.9615638906E-01    0.9605699462E-01     5.748630343       -0.2160008354E-04
J1,K1,R1,R2,RAT= 114 114    0.1957891943        -57685.23202        0.8042108057    
FOB,PFOB,DIAG,PSTEP=    0.9134949532        0.9134887523         3.167160192        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03248      0.09616      0.91349 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3822524625
 Log product of positive Hessian eigenvalues =          519.0723355882
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1671601924
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000069
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000159
 Unscaled step for mode   64=        0.0000000008
 Unscaled step for mode   65=       -0.0000000105
 Unscaled step for mode   66=        0.0000000053
 Unscaled step for mode   67=       -0.0000000158
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=        0.0000000124
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=        0.0000000099
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=        0.0000000018
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=        0.0000000166
 Unscaled step for mode   78=       -0.0000000092
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000061
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000158
 Unscaled step for mode   83=       -0.0000000036
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=       -0.0000000291
 Unscaled step for mode   86=       -0.0000000086
 Unscaled step for mode   87=        0.0000000136
 Unscaled step for mode   88=        0.0000000200
 Unscaled step for mode   89=       -0.0000000353
 Unscaled step for mode   90=        0.0000000372
 Unscaled step for mode   91=       -0.0000000493
 Unscaled step for mode   92=       -0.0000000643
 Unscaled step for mode   93=       -0.0000000627
 Unscaled step for mode   94=       -0.0000000125
 Unscaled step for mode   95=        0.0000000400
 Unscaled step for mode   96=       -0.0000000254
 Unscaled step for mode   97=        0.0000000749
 Unscaled step for mode   98=        0.0000000157
 Unscaled step for mode   99=       -0.0000000533
 Unscaled step for mode  100=       -0.0000000443
 Unscaled step for mode  101=        0.0000003358
 Unscaled step for mode  102=        0.0000000036
 Unscaled step for mode  103=        0.0000000918
 Unscaled step for mode  104=        0.0000000614
 Unscaled step for mode  105=        0.0000002634
 Unscaled step for mode  106=       -0.0000002530
 Unscaled step for mode  107=        0.0000010549
 Unscaled step for mode  108=        0.0000014361
 Unscaled step for mode  109=       -0.0000004191
 Unscaled step for mode  110=        0.0000007954
 Unscaled step for mode  111=        0.0000001127
 Unscaled step for mode  112=       -0.0035785117
 Unscaled step for mode  113=       -0.0167221573
 Unscaled step for mode  114=        0.2677498089
 Largest modulus ratio of non-zero e/values=           235.7642955    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.608996E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.201797E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.112852E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.662632E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.112410E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.359510E-14    0.974302E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176901E-06    0.746703E+03  0.236909E-09 0.100000E-04    0.996331E+00
   8   -0.416487E-06    0.674047E+03  0.617890E-09 0.100000E-04    0.956693E+00
   9   -0.741469E-06    0.630708E+03  0.117561E-08 0.100000E-04    0.953661E+00
  10   -0.335839E-07    0.600708E+03  0.559073E-10 0.100000E-04    0.104195E+01
  11    0.170805E-07    0.586364E+03 -0.291296E-10 0.100000E-04    0.846097E+00
  12   -0.106146E-05    0.578891E+03  0.183361E-08 0.100000E-04    0.949755E+00
  13    0.503422E-07    0.564880E+03 -0.891202E-10 0.100000E-04    0.941650E+00
  14    0.448207E-06    0.487451E+03 -0.919491E-09 0.100000E-04    0.939151E+00
  15   -0.442984E-06    0.460599E+03  0.961756E-09 0.100000E-04    0.946938E+00
  16   -0.126129E-06    0.459768E+03  0.274332E-09 0.100000E-04    0.790780E+00
  17   -0.595450E-06    0.441661E+03  0.134821E-08 0.100000E-04    0.913106E+00
  18   -0.427025E-06    0.429392E+03  0.994488E-09 0.100000E-04    0.941601E+00
  19   -0.143304E-06    0.421900E+03  0.339662E-09 0.100000E-04    0.819209E+00
  20   -0.388999E-06    0.407933E+03  0.953586E-09 0.100000E-04    0.930976E+00
  21   -0.438991E-06    0.396333E+03  0.110763E-08 0.100000E-04    0.927415E+00
  22   -0.652469E-06    0.387458E+03  0.168398E-08 0.100000E-04    0.993625E+00
  23    0.833822E-06    0.370034E+03 -0.225337E-08 0.100000E-04    0.931014E+00
  24   -0.443606E-06    0.360569E+03  0.123029E-08 0.100000E-04    0.981391E+00
  25   -0.731070E-07    0.349340E+03  0.209272E-09 0.100000E-04    0.691144E+00
  26   -0.667850E-07    0.335302E+03  0.199178E-09 0.100000E-04    0.593371E+00
  27    0.371221E-06    0.329310E+03 -0.112727E-08 0.100000E-04    0.894976E+00
  28   -0.392832E-06    0.321829E+03  0.122063E-08 0.100000E-04    0.904272E+00
  29   -0.661148E-07    0.319131E+03  0.207172E-09 0.100000E-04    0.443021E+01
  30   -0.138418E-05    0.309385E+03  0.447399E-08 0.100000E-04    0.968805E+00
  31   -0.105777E-05    0.300813E+03  0.351636E-08 0.100000E-04    0.961712E+00
  32   -0.126071E-05    0.290601E+03  0.433827E-08 0.100000E-04    0.974503E+00
  33   -0.198545E-07    0.279005E+03  0.711618E-10 0.100000E-04    0.999768E+00
  34   -0.541202E-07    0.272739E+03  0.198432E-09 0.100000E-04    0.571826E+00
  35    0.105489E-05    0.268539E+03 -0.392824E-08 0.100000E-04    0.975413E+00
  36    0.128563E-05    0.264956E+03 -0.485222E-08 0.100000E-04    0.986008E+00
  37   -0.505194E-06    0.263840E+03  0.191477E-08 0.100000E-04    0.901219E+00
  38   -0.147851E-06    0.253212E+03  0.583901E-09 0.100000E-04    0.982728E+00
  39   -0.375155E-06    0.241576E+03  0.155295E-08 0.100000E-04    0.920975E+00
  40   -0.129900E-05    0.240777E+03  0.539503E-08 0.100000E-04    0.988899E+00
  41   -0.102388E-05    0.234018E+03  0.437520E-08 0.100000E-04    0.994449E+00
  42   -0.173340E-05    0.227522E+03  0.761860E-08 0.100000E-04    0.970994E+00
  43   -0.207024E-07    0.217139E+03  0.953421E-10 0.100000E-04    0.934255E+00
  44   -0.202296E-05    0.214893E+03  0.941378E-08 0.100000E-04    0.973009E+00
  45    0.707370E-06    0.213259E+03 -0.331696E-08 0.100000E-04    0.984654E+00
  46    0.110854E-05    0.207680E+03 -0.533776E-08 0.100000E-04    0.984788E+00
  47   -0.775250E-06    0.202996E+03  0.381904E-08 0.100000E-04    0.970140E+00
  48   -0.121280E-05    0.195427E+03  0.620589E-08 0.100000E-04    0.936186E+00
  49    0.973826E-06    0.194844E+03 -0.499798E-08 0.100000E-04    0.954476E+00
  50    0.131458E-05    0.191366E+03 -0.686947E-08 0.100000E-04    0.884637E+00
  51    0.224511E-06    0.182964E+03 -0.122707E-08 0.100000E-04    0.865611E+00
  52   -0.600416E-06    0.174363E+03  0.344349E-08 0.100000E-04    0.936740E+00
  53    0.107826E-06    0.172339E+03 -0.625665E-09 0.100000E-04    0.845967E+00
  54   -0.223936E-06    0.168218E+03  0.133123E-08 0.100000E-04    0.949312E+00
  55   -0.850411E-06    0.163219E+03  0.521023E-08 0.100000E-04    0.992807E+00
  56    0.138319E-05    0.156873E+03 -0.881726E-08 0.100000E-04    0.976103E+00
  57   -0.379479E-06    0.154915E+03  0.244959E-08 0.100000E-04    0.823975E+00
  58    0.919462E-06    0.152254E+03 -0.603900E-08 0.100000E-04    0.997363E+00
  59   -0.651420E-06    0.146661E+03  0.444167E-08 0.100000E-04    0.999917E+00
  60   -0.206175E-06    0.143345E+03  0.143831E-08 0.100000E-04    0.678367E+00
  61   -0.950340E-06    0.138097E+03  0.688170E-08 0.100000E-04    0.808850E+00
  62    0.958309E-06    0.135873E+03 -0.705297E-08 0.100000E-04    0.975647E+00
  63    0.207379E-05    0.130289E+03 -0.159168E-07 0.100000E-04    0.923684E+00
  64   -0.101798E-06    0.128841E+03  0.790105E-09 0.100000E-04    0.508455E+01
  65    0.133841E-05    0.126900E+03 -0.105470E-07 0.100000E-04    0.887943E+00
  66   -0.654454E-06    0.124066E+03  0.527505E-08 0.100000E-04    0.885127E+00
  67    0.189225E-05    0.120013E+03 -0.157671E-07 0.100000E-04    0.965620E+00
  68    0.455560E-06    0.118169E+03 -0.385518E-08 0.100000E-04    0.936422E+00
  69   -0.575895E-07    0.116835E+03  0.492914E-09 0.100000E-04    0.778107E+01
  70   -0.137156E-05    0.110365E+03  0.124275E-07 0.100000E-04    0.950425E+00
  71   -0.708562E-06    0.106825E+03  0.663292E-08 0.100000E-04    0.923066E+00
  72   -0.103027E-05    0.104455E+03  0.986326E-08 0.100000E-04    0.896821E+00
  73    0.163068E-06    0.102856E+03 -0.158540E-08 0.100000E-04    0.706499E+00
  74    0.568515E-07    0.995119E+02 -0.571303E-09 0.100000E-04    0.595389E+00
  75   -0.173766E-06    0.960890E+02  0.180839E-08 0.100000E-04    0.599380E+00
  76    0.210884E-06    0.941018E+02 -0.224102E-08 0.100000E-04    0.866398E+00
  77   -0.153069E-05    0.919657E+02  0.166442E-07 0.100000E-04    0.966163E+00
  78    0.843198E-06    0.912329E+02 -0.924226E-08 0.100000E-04    0.975656E+00
  79   -0.712851E-06    0.884155E+02  0.806251E-08 0.100000E-04    0.988677E+00
  80   -0.519299E-06    0.856111E+02  0.606579E-08 0.100000E-04    0.917382E+00
  81    0.129359E-05    0.808353E+02 -0.160028E-07 0.100000E-04    0.994634E+00
  82   -0.127024E-05    0.805066E+02  0.157781E-07 0.100000E-04    0.939187E+00
  83    0.276904E-06    0.779552E+02 -0.355209E-08 0.100000E-04    0.856591E+00
  84    0.389070E-06    0.732836E+02 -0.530911E-08 0.109000E-04    0.142107E+00
  85    0.211429E-05    0.725521E+02 -0.291417E-07 0.100000E-04    0.891316E+00
  86    0.584049E-06    0.679154E+02 -0.859966E-08 0.100000E-04    0.841772E+00
  87   -0.883670E-06    0.647503E+02  0.136473E-07 0.100000E-04    0.767033E+00
  88   -0.122867E-05    0.613460E+02  0.200284E-07 0.100000E-04    0.970697E+00
  89    0.211045E-05    0.598351E+02 -0.352712E-07 0.100000E-04    0.948858E+00
  90   -0.221020E-05    0.594013E+02  0.372079E-07 0.100000E-04    0.980465E+00
  91    0.286841E-05    0.581360E+02 -0.493398E-07 0.100000E-04    0.929640E+00
  92    0.359482E-05    0.558728E+02 -0.643395E-07 0.100000E-04    0.954854E+00
  93    0.328927E-05    0.524451E+02 -0.627184E-07 0.100000E-04    0.986745E+00
  94    0.651647E-06    0.520269E+02 -0.125252E-07 0.100000E-04    0.877249E+00
  95   -0.200770E-05    0.502456E+02  0.399578E-07 0.100000E-04    0.881696E+00
  96    0.117347E-05    0.461549E+02 -0.254246E-07 0.100000E-04    0.931040E+00
  97   -0.324726E-05    0.433451E+02  0.749164E-07 0.100000E-04    0.887633E+00
  98   -0.643123E-06    0.409172E+02  0.157177E-07 0.100000E-04    0.480695E+00
  99    0.202018E-05    0.378676E+02 -0.533485E-07 0.100000E-04    0.782091E+00
 100    0.160211E-05    0.362054E+02 -0.442505E-07 0.100000E-04    0.892484E+00
 101   -0.108334E-04    0.322655E+02  0.335758E-06 0.100000E-04    0.947152E+00
 102   -0.103650E-06    0.289043E+02  0.358598E-08 0.100000E-04    0.915329E+00
 103   -0.261235E-05    0.284531E+02  0.918125E-07 0.100000E-04    0.964053E+00
 104   -0.161562E-05    0.263012E+02  0.614275E-07 0.100000E-04    0.868314E+00
 105   -0.614622E-05    0.233321E+02  0.263423E-06 0.100000E-04    0.934201E+00
 106    0.539582E-05    0.213289E+02 -0.252982E-06 0.100000E-04    0.968245E+00
 107   -0.209425E-04    0.198531E+02  0.105487E-05 0.100000E-04    0.926486E+00
 108   -0.236317E-04    0.164549E+02  0.143615E-05 0.100000E-04    0.937360E+00
 109    0.582948E-05    0.139092E+02 -0.419111E-06 0.100000E-04    0.958079E+00
 110   -0.973838E-05    0.122435E+02  0.795393E-06 0.100000E-04    0.844147E+00
 111   -0.113685E-05    0.100897E+02  0.112674E-06 0.109000E-04    0.649803E-01
 112    0.324759E-01    0.907514E+01 -0.100000E-04 0.100000E-04    0.607247E+00
 113    0.961564E-01    0.574863E+01 -0.235441E-04 0.235441E-04    0.199535E+00
 114    0.913495E+00    0.316716E+01  0.100000E-04 0.100000E-04    0.804211E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2354409106E-04    0.2677498089    

 Beginning of optimization cycle  614.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993985946
 potential> RMS force:                                               0.0860843992   |gradient|=.9191298661    
 Eigenvalues of the Hessian matrix:
   746.70735    674.04581    630.71160    600.70520    586.36351    578.89127 
   564.87590    487.45086    460.59777    459.76781    441.65999    429.39367 
   421.89970    407.93081    396.33208    387.45609    370.03404    360.56949 
   349.33881    335.30304    329.31132    321.82828    319.13146    309.38386 
   300.81241    290.60152    279.00685    272.73946    268.53979    264.95650 
   263.84110    253.21108    241.57590    240.77786    234.01880    227.52208 
   217.13937    214.89326    213.25825    207.68013    202.99531    195.42639 
   194.84446    191.36619    182.96525    174.36340    172.33891    168.21794 
   163.21909    156.87229    154.91582    152.25382    146.66040    143.34428 
   138.09719    135.87320    130.28919    128.84160    126.90016    124.06485 
   120.01285    118.16867    116.83430    110.36491    106.82482    104.45531 
   102.85599     99.51187     96.08877     94.10155     91.96529     91.23310 
    88.41496     85.61148     80.83537     80.50737     77.95496     73.28331 
    72.55148     67.91509     64.74980     61.34557     59.83480     59.40134 
    58.13589     55.87250     52.44496     52.02652     50.24621     46.15443 
    43.34571     40.91734     37.86754     36.20498     32.26506     28.90469 
    28.45320     26.30150     23.33205     21.32911     19.85305     16.45484 
    13.90922     12.24349     10.08963      9.07676      5.74883      3.16685 
overlap for current and previous eigenvector    109 is         0.9999999871
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999638
overlap for current and previous eigenvector    112 is         0.9999999239
overlap for current and previous eigenvector    113 is         0.9999999226
overlap for current and previous eigenvector    114 is         0.9999999609
J1,K1,R1,R2,RAT=   7   7    0.3645089870E-01     1.963538231        0.9635382313    
FOB,PFOB,DIAG,PSTEP=   -0.1704525578E-06   -0.1769007855E-06     746.7073499        0.2369090741E-09
J1,K1,R1,R2,RAT=   8   8   -0.4512938359E-01     2.045133851        0.9548706164    
FOB,PFOB,DIAG,PSTEP=   -0.4352828822E-06   -0.4164871173E-06     674.0458085        0.6178900331E-09
J1,K1,R1,R2,RAT=   9   9   -0.5115275062E-01     2.051142805        0.9488472494    
FOB,PFOB,DIAG,PSTEP=   -0.7793975382E-06   -0.7414691624E-06     630.7115952        0.1175613157E-08
J1,K1,R1,R2,RAT=  10  10   -0.6645771519         2.664584834        0.3354228481    
FOB,PFOB,DIAG,PSTEP=   -0.5590293242E-07   -0.3358391535E-07     600.7051979        0.5590726777E-10
J1,K1,R1,R2,RAT=  11  11   -0.3525254504         2.352527606        0.6474745496    
FOB,PFOB,DIAG,PSTEP=    0.2310184866E-07    0.1708053268E-07     586.3635104       -0.2912956547E-10
J1,K1,R1,R2,RAT= 109 109   -0.2073819221E-01     2.020729644        0.9792618078    
FOB,PFOB,DIAG,PSTEP=    0.5950371076E-05    0.5829477729E-05     13.90921777       -0.4191107466E-06
J1,K1,R1,R2,RAT= 110 110   -0.1477364958         2.147733838        0.8522635042    
FOB,PFOB,DIAG,PSTEP=   -0.1117709103E-04   -0.9738375627E-05     12.24349425        0.7953929135E-06
J1,K1,R1,R2,RAT= 111 111   -0.1973870852         2.197401154        0.8026129148    
FOB,PFOB,DIAG,PSTEP=   -0.1361249967E-05   -0.1136851702E-05     10.08963165        0.1126744508E-06
J1,K1,R1,R2,RAT= 112 112    0.3610250510         715.2224607        0.6389749490    
FOB,PFOB,DIAG,PSTEP=    0.3244314545E-01    0.3247591485E-01     9.076764764       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7750210593         1421.618977        0.2249789407    
FOB,PFOB,DIAG,PSTEP=    0.9626128901E-01    0.9615638906E-01     5.748834798       -0.2354409106E-04
J1,K1,R1,R2,RAT= 114 114    0.1362998716        -57691.21858        0.8637001284    
FOB,PFOB,DIAG,PSTEP=    0.9134992697        0.9134949532         3.166849770        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00003 
     0.00001     -0.00001     -0.00000      0.03244      0.09626      0.91350 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3822328436
 Log product of positive Hessian eigenvalues =          519.0724162229
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1668497701
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000013
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000055
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000080
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000097
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000054
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000077
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000053
 Unscaled step for mode   56=       -0.0000000091
 Unscaled step for mode   57=        0.0000000028
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=        0.0000000018
 Unscaled step for mode   61=        0.0000000080
 Unscaled step for mode   62=       -0.0000000073
 Unscaled step for mode   63=       -0.0000000174
 Unscaled step for mode   64=        0.0000000017
 Unscaled step for mode   65=       -0.0000000116
 Unscaled step for mode   66=        0.0000000058
 Unscaled step for mode   67=       -0.0000000164
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=        0.0000000008
 Unscaled step for mode   70=        0.0000000131
 Unscaled step for mode   71=        0.0000000072
 Unscaled step for mode   72=        0.0000000085
 Unscaled step for mode   73=       -0.0000000020
 Unscaled step for mode   74=       -0.0000000002
 Unscaled step for mode   75=        0.0000000006
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=        0.0000000161
 Unscaled step for mode   78=        0.0000000096
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000066
 Unscaled step for mode   81=       -0.0000000163
 Unscaled step for mode   82=        0.0000000168
 Unscaled step for mode   83=       -0.0000000028
 Unscaled step for mode   84=       -0.0000000080
 Unscaled step for mode   85=       -0.0000000319
 Unscaled step for mode   86=       -0.0000000100
 Unscaled step for mode   87=        0.0000000168
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000367
 Unscaled step for mode   90=        0.0000000387
 Unscaled step for mode   91=       -0.0000000546
 Unscaled step for mode   92=       -0.0000000687
 Unscaled step for mode   93=       -0.0000000649
 Unscaled step for mode   94=       -0.0000000112
 Unscaled step for mode   95=        0.0000000438
 Unscaled step for mode   96=       -0.0000000285
 Unscaled step for mode   97=        0.0000000832
 Unscaled step for mode   98=        0.0000000204
 Unscaled step for mode   99=       -0.0000000631
 Unscaled step for mode  100=       -0.0000000490
 Unscaled step for mode  101=        0.0000003618
 Unscaled step for mode  102=        0.0000000139
 Unscaled step for mode  103=        0.0000000945
 Unscaled step for mode  104=        0.0000000427
 Unscaled step for mode  105=        0.0000002862
 Unscaled step for mode  106=       -0.0000002619
 Unscaled step for mode  107=        0.0000011533
 Unscaled step for mode  108=        0.0000015505
 Unscaled step for mode  109=       -0.0000004278
 Unscaled step for mode  110=        0.0000009129
 Unscaled step for mode  111=        0.0000001349
 Unscaled step for mode  112=       -0.0035742615
 Unscaled step for mode  113=       -0.0167397948
 Unscaled step for mode  114=        0.2677736386
 Largest modulus ratio of non-zero e/values=           235.7886872    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.143906E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.243013E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.959302E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.142563E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.813423E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.404935E-14    0.974303E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170453E-06    0.746707E+03  0.228272E-09 0.100000E-04    0.963538E+00
   8   -0.435283E-06    0.674046E+03  0.645776E-09 0.100000E-04    0.954871E+00
   9   -0.779398E-06    0.630712E+03  0.123574E-08 0.100000E-04    0.948847E+00
  10   -0.559029E-07    0.600705E+03  0.930622E-10 0.100000E-04    0.335423E+00
  11    0.231018E-07    0.586364E+03 -0.393985E-10 0.100000E-04    0.647475E+00
  12   -0.111377E-05    0.578891E+03  0.192397E-08 0.100000E-04    0.950722E+00
  13    0.477855E-07    0.564876E+03 -0.845947E-10 0.100000E-04    0.949212E+00
  14    0.469190E-06    0.487451E+03 -0.962538E-09 0.100000E-04    0.953185E+00
  15   -0.469859E-06    0.460598E+03  0.102011E-08 0.100000E-04    0.939330E+00
  16   -0.151866E-06    0.459768E+03  0.330310E-09 0.100000E-04    0.795950E+00
  17   -0.646915E-06    0.441660E+03  0.146473E-08 0.100000E-04    0.913570E+00
  18   -0.455228E-06    0.429394E+03  0.106017E-08 0.100000E-04    0.933955E+00
  19   -0.111582E-06    0.421900E+03  0.264476E-09 0.100000E-04    0.778642E+00
  20   -0.415504E-06    0.407931E+03  0.101857E-08 0.100000E-04    0.931862E+00
  21   -0.471450E-06    0.396332E+03  0.118953E-08 0.100000E-04    0.926059E+00
  22   -0.662569E-06    0.387456E+03  0.171005E-08 0.100000E-04    0.984520E+00
  23    0.889301E-06    0.370034E+03 -0.240330E-08 0.100000E-04    0.933464E+00
  24   -0.453236E-06    0.360569E+03  0.125700E-08 0.100000E-04    0.978292E+00
  25   -0.426656E-07    0.349339E+03  0.122132E-09 0.100000E-04    0.583604E+00
  26   -0.637471E-08    0.335303E+03  0.190118E-10 0.109000E-04    0.954489E-01
  27    0.417339E-06    0.329311E+03 -0.126731E-08 0.100000E-04    0.875768E+00
  28   -0.440152E-06    0.321828E+03  0.136766E-08 0.100000E-04    0.879544E+00
  29   -0.152639E-06    0.319131E+03  0.478295E-09 0.100000E-04    0.308692E+00
  30   -0.145903E-05    0.309384E+03  0.471592E-08 0.100000E-04    0.945927E+00
  31   -0.110581E-05    0.300812E+03  0.367608E-08 0.100000E-04    0.954580E+00
  32   -0.130813E-05    0.290602E+03  0.450146E-08 0.100000E-04    0.962382E+00
  33   -0.695947E-07    0.279007E+03  0.249437E-09 0.100000E-04    0.150522E+01
  34    0.182608E-08    0.272739E+03 -0.669531E-11 0.109000E-04    0.337393E-01
  35    0.109535E-05    0.268540E+03 -0.407892E-08 0.100000E-04    0.961640E+00
  36    0.130579E-05    0.264956E+03 -0.492831E-08 0.100000E-04    0.984317E+00
  37   -0.554092E-06    0.263841E+03  0.210010E-08 0.100000E-04    0.903209E+00
  38   -0.145146E-06    0.253211E+03  0.573222E-09 0.100000E-04    0.981709E+00
  39   -0.334230E-06    0.241576E+03  0.138354E-08 0.100000E-04    0.890908E+00
  40   -0.131290E-05    0.240778E+03  0.545276E-08 0.100000E-04    0.989298E+00
  41   -0.100887E-05    0.234019E+03  0.431106E-08 0.100000E-04    0.985337E+00
  42   -0.181390E-05    0.227522E+03  0.797240E-08 0.100000E-04    0.953560E+00
  43   -0.273357E-07    0.217139E+03  0.125890E-09 0.100000E-04    0.679591E+00
  44   -0.208227E-05    0.214893E+03  0.968979E-08 0.100000E-04    0.970679E+00
  45    0.709688E-06    0.213258E+03 -0.332784E-08 0.100000E-04    0.996723E+00
  46    0.111450E-05    0.207680E+03 -0.536643E-08 0.100000E-04    0.994626E+00
  47   -0.793173E-06    0.202995E+03  0.390735E-08 0.100000E-04    0.976880E+00
  48   -0.131906E-05    0.195426E+03  0.674967E-08 0.100000E-04    0.912380E+00
  49    0.101516E-05    0.194844E+03 -0.521008E-08 0.100000E-04    0.957559E+00
  50    0.146576E-05    0.191366E+03 -0.765943E-08 0.100000E-04    0.885000E+00
  51    0.257556E-06    0.182965E+03 -0.140768E-08 0.100000E-04    0.852813E+00
  52   -0.653300E-06    0.174363E+03  0.374677E-08 0.100000E-04    0.911922E+00
  53    0.861863E-07    0.172339E+03 -0.500098E-09 0.100000E-04    0.799305E+00
  54   -0.212405E-06    0.168218E+03  0.126268E-08 0.100000E-04    0.948504E+00
  55   -0.858970E-06    0.163219E+03  0.526268E-08 0.100000E-04    0.989935E+00
  56    0.142038E-05    0.156872E+03 -0.905436E-08 0.100000E-04    0.973111E+00
  57   -0.430264E-06    0.154916E+03  0.277740E-08 0.100000E-04    0.866174E+00
  58    0.930271E-06    0.152254E+03 -0.611000E-08 0.100000E-04    0.988244E+00
  59   -0.658346E-06    0.146660E+03  0.448892E-08 0.100000E-04    0.989368E+00
  60   -0.252909E-06    0.143344E+03  0.176435E-08 0.100000E-04    0.773324E+00
  61   -0.111153E-05    0.138097E+03  0.804886E-08 0.100000E-04    0.830393E+00
  62    0.997661E-06    0.135873E+03 -0.734259E-08 0.100000E-04    0.958936E+00
  63    0.226151E-05    0.130289E+03 -0.173576E-07 0.100000E-04    0.909482E+00
  64   -0.217667E-06    0.128842E+03  0.168942E-08 0.109000E-04    0.138222E+00
  65    0.147205E-05    0.126900E+03 -0.116001E-07 0.100000E-04    0.900149E+00
  66   -0.722584E-06    0.124065E+03  0.582424E-08 0.100000E-04    0.895898E+00
  67    0.197110E-05    0.120013E+03 -0.164241E-07 0.100000E-04    0.958330E+00
  68    0.485389E-06    0.118169E+03 -0.410759E-08 0.100000E-04    0.934524E+00
  69   -0.906574E-07    0.116834E+03  0.775949E-09 0.100000E-04    0.425798E+00
  70   -0.144427E-05    0.110365E+03  0.130863E-07 0.100000E-04    0.946986E+00
  71   -0.766021E-06    0.106825E+03  0.717082E-08 0.100000E-04    0.918907E+00
  72   -0.892569E-06    0.104455E+03  0.854499E-08 0.100000E-04    0.866343E+00
  73    0.201945E-06    0.102856E+03 -0.196337E-08 0.100000E-04    0.761595E+00
  74    0.239256E-07    0.995119E+02 -0.240429E-09 0.100000E-04    0.420843E+00
  75   -0.538392E-07    0.960888E+02  0.560307E-09 0.100000E-04    0.309836E+00
  76    0.237713E-06    0.941015E+02 -0.252614E-08 0.100000E-04    0.872779E+00
  77   -0.148271E-05    0.919653E+02  0.161225E-07 0.100000E-04    0.968655E+00
  78   -0.877724E-06    0.912331E+02  0.962068E-08 0.100000E-04    0.959053E+00
  79   -0.744084E-06    0.884150E+02  0.841582E-08 0.100000E-04    0.956185E+00
  80   -0.563919E-06    0.856115E+02  0.658696E-08 0.100000E-04    0.914076E+00
  81    0.131595E-05    0.808354E+02 -0.162794E-07 0.100000E-04    0.982716E+00
  82   -0.135007E-05    0.805074E+02  0.167695E-07 0.100000E-04    0.937159E+00
  83    0.221434E-06    0.779550E+02 -0.284053E-08 0.100000E-04    0.799678E+00
  84    0.585625E-06    0.732833E+02 -0.799125E-08 0.100000E-04    0.494808E+00
  85    0.231463E-05    0.725515E+02 -0.319032E-07 0.100000E-04    0.905247E+00
  86    0.677425E-06    0.679151E+02 -0.997459E-08 0.100000E-04    0.840123E+00
  87   -0.108825E-05    0.647498E+02  0.168070E-07 0.100000E-04    0.768486E+00
  88   -0.119003E-05    0.613456E+02  0.193988E-07 0.100000E-04    0.968556E+00
  89    0.219831E-05    0.598348E+02 -0.367396E-07 0.100000E-04    0.958371E+00
  90   -0.230022E-05    0.594013E+02  0.387234E-07 0.100000E-04    0.959269E+00
  91    0.317342E-05    0.581359E+02 -0.545863E-07 0.100000E-04    0.893666E+00
  92    0.383606E-05    0.558725E+02 -0.686573E-07 0.100000E-04    0.932894E+00
  93    0.340143E-05    0.524450E+02 -0.648571E-07 0.100000E-04    0.965902E+00
  94    0.582096E-06    0.520265E+02 -0.111884E-07 0.100000E-04    0.893267E+00
  95   -0.220107E-05    0.502462E+02  0.438057E-07 0.100000E-04    0.903687E+00
  96    0.131533E-05    0.461544E+02 -0.284984E-07 0.100000E-04    0.879113E+00
  97   -0.360750E-05    0.433457E+02  0.832263E-07 0.100000E-04    0.889064E+00
  98   -0.833984E-06    0.409173E+02  0.203822E-07 0.100000E-04    0.703229E+00
  99    0.238860E-05    0.378675E+02 -0.630777E-07 0.100000E-04    0.817630E+00
 100    0.177558E-05    0.362050E+02 -0.490424E-07 0.100000E-04    0.891721E+00
 101   -0.116723E-04    0.322651E+02  0.361762E-06 0.100000E-04    0.922563E+00
 102   -0.401092E-06    0.289047E+02  0.138764E-07 0.100000E-04    0.186963E+01
 103   -0.268820E-05    0.284532E+02  0.944780E-07 0.100000E-04    0.970966E+00
 104   -0.112269E-05    0.263015E+02  0.426855E-07 0.100000E-04    0.694881E+00
 105   -0.667706E-05    0.233320E+02  0.286176E-06 0.100000E-04    0.913630E+00
 106    0.558580E-05    0.213291E+02 -0.261886E-06 0.100000E-04    0.964792E+00
 107   -0.228968E-04    0.198531E+02  0.115331E-05 0.100000E-04    0.906681E+00
 108   -0.255138E-04    0.164548E+02  0.155054E-05 0.100000E-04    0.920355E+00
 109    0.595037E-05    0.139092E+02 -0.427801E-06 0.100000E-04    0.979262E+00
 110   -0.111771E-04    0.122435E+02  0.912900E-06 0.100000E-04    0.852264E+00
 111   -0.136125E-05    0.100896E+02  0.134916E-06 0.100000E-04    0.802613E+00
 112    0.324431E-01    0.907676E+01 -0.100000E-04 0.100000E-04    0.638975E+00
 113    0.962613E-01    0.574883E+01 -0.212109E-04 0.212109E-04    0.224979E+00
 114    0.913499E+00    0.316685E+01  0.100000E-04 0.100000E-04    0.863700E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2121089285E-04    0.2677736386    

 Beginning of optimization cycle  615.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993918240
 potential> RMS force:                                               0.0860858510   |gradient|=.9191453672    
 Eigenvalues of the Hessian matrix:
   746.71129    674.04455    630.71460    600.70287    586.36296    578.89151 
   564.87189    487.45052    460.59645    459.76725    441.65939    429.39495 
   421.89909    407.92918    396.33153    387.45466    370.03450    360.56965 
   349.33807    335.30369    329.31219    321.82805    319.13210    309.38270 
   300.81181    290.60157    279.00831    272.73991    268.54001    264.95682 
   263.84170    253.21047    241.57617    240.77827    234.01957    227.52240 
   217.14008    214.89340    213.25796    207.68062    202.99489    195.42557 
   194.84483    191.36666    182.96599    174.36413    172.33915    168.21822 
   163.21876    156.87206    154.91634    152.25364    146.65980    143.34388 
   138.09771    135.87320    130.28894    128.84182    126.90036    124.06373 
   120.01303    118.16881    116.83388    110.36515    106.82466    104.45555 
   102.85606     99.51180     96.08856     94.10132     91.96488     91.23331 
    88.41444     85.61178     80.83544     80.50805     77.95474     73.28310 
    72.55091     67.91479     64.74934     61.34510     59.83455     59.40144 
    58.13585     55.87228     52.44486     52.02614     50.24680     46.15401 
    43.34628     40.91745     37.86750     36.20465     32.26468     28.90503 
    28.45325     26.30178     23.33194     21.32935     19.85295     16.45474 
    13.90928     12.24351     10.08956      9.07828      5.74902      3.16655 
overlap for current and previous eigenvector    109 is         0.9999999889
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999699
overlap for current and previous eigenvector    112 is         0.9999999347
overlap for current and previous eigenvector    113 is         0.9999999321
overlap for current and previous eigenvector    114 is         0.9999999661
J1,K1,R1,R2,RAT=   7   7   -0.1008884669E-01     2.010078307        0.9899111533    
FOB,PFOB,DIAG,PSTEP=   -0.1721722366E-06   -0.1704525578E-06     746.7112850        0.2282722379E-09
J1,K1,R1,R2,RAT=   8   8    0.5158873985E-01     1.948415008        0.9484112601    
FOB,PFOB,DIAG,PSTEP=   -0.4128272289E-06   -0.4352828822E-06     674.0445454        0.6457764096E-09
J1,K1,R1,R2,RAT=   9   9    0.5628741637E-01     1.943703060        0.9437030599    
FOB,PFOB,DIAG,PSTEP=   -0.7355270555E-06   -0.7793975382E-06     630.7145985        0.1235743158E-08
J1,K1,R1,R2,RAT=  10  10    0.5095033194         1.490504416        0.4904966806    
FOB,PFOB,DIAG,PSTEP=   -0.2742031294E-07   -0.5590293242E-07     600.7028746        0.9306217530E-10
J1,K1,R1,R2,RAT=  11  11    0.1831640504         1.816837824        0.8168359496    
FOB,PFOB,DIAG,PSTEP=    0.1887042445E-07    0.2310184866E-07     586.3629608       -0.3939851005E-10
J1,K1,R1,R2,RAT= 109 109    0.5205892338E-01     1.947932674        0.9479326737    
FOB,PFOB,DIAG,PSTEP=    0.5640599862E-05    0.5950371076E-05     13.90927621       -0.4278005546E-06
J1,K1,R1,R2,RAT= 110 110    0.1520444722         1.847952605        0.8479526052    
FOB,PFOB,DIAG,PSTEP=   -0.9477673639E-05   -0.1117709103E-04     12.24351215        0.9129004184E-06
J1,K1,R1,R2,RAT= 111 111    0.4447118675         1.555302543        0.5552881325    
FOB,PFOB,DIAG,PSTEP=   -0.7558903139E-06   -0.1361249967E-05     10.08955895        0.1349157248E-06
J1,K1,R1,R2,RAT= 112 112    0.4004968246         714.3414324        0.5995031754    
FOB,PFOB,DIAG,PSTEP=    0.3240678722E-01    0.3244314545E-01     9.078282419       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8337296921         1579.641254        0.1662703079    
FOB,PFOB,DIAG,PSTEP=    0.9636295548E-01    0.9626128901E-01     5.749016181       -0.2121089285E-04
J1,K1,R1,R2,RAT= 114 114    0.1948025841        -57696.98604        0.8051974159    
FOB,PFOB,DIAG,PSTEP=    0.9135054382        0.9134992697         3.166551380        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03241      0.09636      0.91351 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3822114835
 Log product of positive Hessian eigenvalues =          519.0724904633
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1665513804
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000053
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000066
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000159
 Unscaled step for mode   64=        0.0000000008
 Unscaled step for mode   65=       -0.0000000102
 Unscaled step for mode   66=        0.0000000051
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000002
 Unscaled step for mode   70=        0.0000000123
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=        0.0000000100
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000007
 Unscaled step for mode   75=        0.0000000021
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=       -0.0000000093
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000060
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000156
 Unscaled step for mode   83=       -0.0000000036
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=       -0.0000000283
 Unscaled step for mode   86=       -0.0000000084
 Unscaled step for mode   87=        0.0000000135
 Unscaled step for mode   88=        0.0000000201
 Unscaled step for mode   89=       -0.0000000345
 Unscaled step for mode   90=        0.0000000377
 Unscaled step for mode   91=       -0.0000000501
 Unscaled step for mode   92=       -0.0000000649
 Unscaled step for mode   93=       -0.0000000636
 Unscaled step for mode   94=       -0.0000000133
 Unscaled step for mode   95=        0.0000000385
 Unscaled step for mode   96=       -0.0000000263
 Unscaled step for mode   97=        0.0000000732
 Unscaled step for mode   98=        0.0000000135
 Unscaled step for mode   99=       -0.0000000510
 Unscaled step for mode  100=       -0.0000000435
 Unscaled step for mode  101=        0.0000003393
 Unscaled step for mode  102=        0.0000000041
 Unscaled step for mode  103=        0.0000000904
 Unscaled step for mode  104=        0.0000000547
 Unscaled step for mode  105=        0.0000002650
 Unscaled step for mode  106=       -0.0000002510
 Unscaled step for mode  107=        0.0000010599
 Unscaled step for mode  108=        0.0000014396
 Unscaled step for mode  109=       -0.0000004055
 Unscaled step for mode  110=        0.0000007741
 Unscaled step for mode  111=        0.0000000749
 Unscaled step for mode  112=       -0.0035696592
 Unscaled step for mode  113=       -0.0167569362
 Unscaled step for mode  114=        0.2677970609
 Largest modulus ratio of non-zero e/values=           235.8121487    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.135514E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.232946E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.533854E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.660306E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.315178E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.285020E-14    0.974303E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172172E-06    0.746711E+03  0.230574E-09 0.100000E-04    0.989911E+00
   8   -0.412827E-06    0.674045E+03  0.612463E-09 0.100000E-04    0.948411E+00
   9   -0.735527E-06    0.630715E+03  0.116618E-08 0.100000E-04    0.943703E+00
  10   -0.274203E-07    0.600703E+03  0.456470E-10 0.100000E-04    0.490497E+00
  11    0.188704E-07    0.586363E+03 -0.321822E-10 0.100000E-04    0.816836E+00
  12   -0.104773E-05    0.578892E+03  0.180989E-08 0.100000E-04    0.940706E+00
  13    0.514792E-07    0.564872E+03 -0.911342E-10 0.100000E-04    0.922702E+00
  14    0.436923E-06    0.487451E+03 -0.896343E-09 0.100000E-04    0.931229E+00
  15   -0.440303E-06    0.460596E+03  0.955941E-09 0.100000E-04    0.937095E+00
  16   -0.123501E-06    0.459767E+03  0.268617E-09 0.100000E-04    0.813226E+00
  17   -0.585665E-06    0.441659E+03  0.132606E-08 0.100000E-04    0.905321E+00
  18   -0.423013E-06    0.429395E+03  0.985136E-09 0.100000E-04    0.929226E+00
  19   -0.151365E-06    0.421899E+03  0.358772E-09 0.100000E-04    0.643462E+00
  20   -0.382599E-06    0.407929E+03  0.937906E-09 0.100000E-04    0.920807E+00
  21   -0.432353E-06    0.396332E+03  0.109089E-08 0.100000E-04    0.917070E+00
  22   -0.655143E-06    0.387455E+03  0.169089E-08 0.100000E-04    0.988792E+00
  23    0.819093E-06    0.370034E+03 -0.221356E-08 0.100000E-04    0.921050E+00
  24   -0.441263E-06    0.360570E+03  0.122379E-08 0.100000E-04    0.973584E+00
  25   -0.841301E-07    0.349338E+03  0.240827E-09 0.109000E-04    0.281504E-01
  26   -0.641996E-07    0.335304E+03  0.191467E-09 0.100000E-04    0.807096E+01
  27    0.371277E-06    0.329312E+03 -0.112743E-08 0.100000E-04    0.889624E+00
  28   -0.394312E-06    0.321828E+03  0.122522E-08 0.100000E-04    0.895854E+00
  29   -0.782950E-07    0.319132E+03  0.245337E-09 0.100000E-04    0.512940E+00
  30   -0.140195E-05    0.309383E+03  0.453145E-08 0.100000E-04    0.960880E+00
  31   -0.105484E-05    0.300812E+03  0.350664E-08 0.100000E-04    0.953906E+00
  32   -0.126536E-05    0.290602E+03  0.435428E-08 0.100000E-04    0.967302E+00
  33   -0.188030E-07    0.279008E+03  0.673923E-10 0.100000E-04    0.270172E+00
  34   -0.505574E-07    0.272740E+03  0.185368E-09 0.100000E-04    0.256863E+02
  35    0.105901E-05    0.268540E+03 -0.394360E-08 0.100000E-04    0.966824E+00
  36    0.128186E-05    0.264957E+03 -0.483799E-08 0.100000E-04    0.981672E+00
  37   -0.495921E-06    0.263842E+03  0.187962E-08 0.100000E-04    0.895011E+00
  38   -0.147380E-06    0.253210E+03  0.582046E-09 0.100000E-04    0.984609E+00
  39   -0.377715E-06    0.241576E+03  0.156354E-08 0.100000E-04    0.869894E+00
  40   -0.129261E-05    0.240778E+03  0.536847E-08 0.100000E-04    0.984541E+00
  41   -0.101528E-05    0.234020E+03  0.433843E-08 0.100000E-04    0.993647E+00
  42   -0.174568E-05    0.227522E+03  0.767255E-08 0.100000E-04    0.962388E+00
  43   -0.233097E-07    0.217140E+03  0.107348E-09 0.100000E-04    0.852712E+00
  44   -0.201064E-05    0.214893E+03  0.935644E-08 0.100000E-04    0.965598E+00
  45    0.720684E-06    0.213258E+03 -0.337940E-08 0.100000E-04    0.984506E+00
  46    0.109360E-05    0.207681E+03 -0.526576E-08 0.100000E-04    0.981239E+00
  47   -0.764471E-06    0.202995E+03  0.376596E-08 0.100000E-04    0.963813E+00
  48   -0.122099E-05    0.195426E+03  0.624786E-08 0.100000E-04    0.925649E+00
  49    0.961788E-06    0.194845E+03 -0.493617E-08 0.100000E-04    0.947425E+00
  50    0.128926E-05    0.191367E+03 -0.673712E-08 0.100000E-04    0.879582E+00
  51    0.223014E-06    0.182966E+03 -0.121888E-08 0.100000E-04    0.865880E+00
  52   -0.604936E-06    0.174364E+03  0.346939E-08 0.100000E-04    0.925963E+00
  53    0.113254E-06    0.172339E+03 -0.657157E-09 0.100000E-04    0.685941E+00
  54   -0.228094E-06    0.168218E+03  0.135594E-08 0.100000E-04    0.926137E+00
  55   -0.863872E-06    0.163219E+03  0.529273E-08 0.100000E-04    0.994293E+00
  56    0.137552E-05    0.156872E+03 -0.876841E-08 0.100000E-04    0.968417E+00
  57   -0.357293E-06    0.154916E+03  0.230636E-08 0.100000E-04    0.830399E+00
  58    0.932534E-06    0.152254E+03 -0.612487E-08 0.100000E-04    0.997567E+00
  59   -0.655434E-06    0.146660E+03  0.446908E-08 0.100000E-04    0.995576E+00
  60   -0.187390E-06    0.143344E+03  0.130728E-08 0.100000E-04    0.740937E+00
  61   -0.915678E-06    0.138098E+03  0.663065E-08 0.100000E-04    0.823797E+00
  62    0.962899E-06    0.135873E+03 -0.708675E-08 0.100000E-04    0.965156E+00
  63    0.207040E-05    0.130289E+03 -0.158908E-07 0.100000E-04    0.915496E+00
  64   -0.104425E-06    0.128842E+03  0.810488E-09 0.100000E-04    0.479742E+00
  65    0.129809E-05    0.126900E+03 -0.102292E-07 0.100000E-04    0.881817E+00
  66   -0.638691E-06    0.124064E+03  0.514809E-08 0.100000E-04    0.883898E+00
  67    0.188730E-05    0.120013E+03 -0.157258E-07 0.100000E-04    0.957484E+00
  68    0.450530E-06    0.118169E+03 -0.381260E-08 0.100000E-04    0.928182E+00
  69   -0.266816E-07    0.116834E+03  0.228373E-09 0.100000E-04    0.294310E+00
  70   -0.135893E-05    0.110365E+03  0.123130E-07 0.100000E-04    0.940904E+00
  71   -0.700239E-06    0.106825E+03  0.655503E-08 0.100000E-04    0.914124E+00
  72   -0.104219E-05    0.104456E+03  0.997739E-08 0.100000E-04    0.832367E+00
  73    0.153847E-06    0.102856E+03 -0.149575E-08 0.100000E-04    0.761826E+00
  74    0.732357E-07    0.995118E+02 -0.735950E-09 0.100000E-04    0.106099E+01
  75   -0.201806E-06    0.960886E+02  0.210021E-08 0.100000E-04    0.174831E+01
  76    0.204644E-06    0.941013E+02 -0.217472E-08 0.100000E-04    0.860885E+00
  77   -0.155313E-05    0.919649E+02  0.168883E-07 0.100000E-04    0.952507E+00
  78    0.846686E-06    0.912333E+02 -0.928045E-08 0.100000E-04    0.964633E+00
  79   -0.730896E-06    0.884144E+02  0.826670E-08 0.100000E-04    0.982275E+00
  80   -0.514353E-06    0.856118E+02  0.600797E-08 0.100000E-04    0.912097E+00
  81    0.130421E-05    0.808354E+02 -0.161342E-07 0.100000E-04    0.991078E+00
  82   -0.125636E-05    0.805080E+02  0.156054E-07 0.100000E-04    0.930575E+00
  83    0.278323E-06    0.779547E+02 -0.357032E-08 0.100000E-04    0.743085E+00
  84    0.353048E-06    0.732831E+02 -0.481759E-08 0.100000E-04    0.602856E+00
  85    0.205047E-05    0.725509E+02 -0.282625E-07 0.100000E-04    0.885873E+00
  86    0.569811E-06    0.679148E+02 -0.839009E-08 0.100000E-04    0.841143E+00
  87   -0.873933E-06    0.647493E+02  0.134972E-07 0.100000E-04    0.803062E+00
  88   -0.123147E-05    0.613451E+02  0.200745E-07 0.100000E-04    0.965177E+00
  89    0.206496E-05    0.598346E+02 -0.345112E-07 0.100000E-04    0.939341E+00
  90   -0.223660E-05    0.594014E+02  0.376523E-07 0.100000E-04    0.972339E+00
  91    0.291492E-05    0.581359E+02 -0.501398E-07 0.100000E-04    0.918540E+00
  92    0.362827E-05    0.558723E+02 -0.649386E-07 0.100000E-04    0.945832E+00
  93    0.333683E-05    0.524449E+02 -0.636256E-07 0.100000E-04    0.981009E+00
  94    0.692067E-06    0.520261E+02 -0.133023E-07 0.100000E-04    0.811077E+00
  95   -0.193590E-05    0.502468E+02  0.385279E-07 0.100000E-04    0.879506E+00
  96    0.121411E-05    0.461540E+02 -0.263055E-07 0.100000E-04    0.923045E+00
  97   -0.317449E-05    0.433463E+02  0.732356E-07 0.100000E-04    0.879944E+00
  98   -0.553038E-06    0.409175E+02  0.135160E-07 0.100000E-04    0.663123E+00
  99    0.193267E-05    0.378675E+02 -0.510377E-07 0.100000E-04    0.809123E+00
 100    0.157462E-05    0.362046E+02 -0.434923E-07 0.100000E-04    0.886821E+00
 101   -0.109465E-04    0.322647E+02  0.339273E-06 0.100000E-04    0.937824E+00
 102   -0.118089E-06    0.289050E+02  0.408540E-08 0.100000E-04    0.294403E+00
 103   -0.257280E-05    0.284533E+02  0.904220E-07 0.100000E-04    0.957067E+00
 104   -0.143863E-05    0.263018E+02  0.546972E-07 0.100000E-04    0.718589E+00
 105   -0.618375E-05    0.233319E+02  0.265034E-06 0.100000E-04    0.926118E+00
 106    0.535272E-05    0.213293E+02 -0.250956E-06 0.100000E-04    0.958250E+00
 107   -0.210426E-04    0.198529E+02  0.105992E-05 0.100000E-04    0.919017E+00
 108   -0.236882E-04    0.164547E+02  0.143960E-05 0.100000E-04    0.928444E+00
 109    0.564060E-05    0.139093E+02 -0.405528E-06 0.100000E-04    0.947933E+00
 110   -0.947767E-05    0.122435E+02  0.774098E-06 0.100000E-04    0.847953E+00
 111   -0.755890E-06    0.100896E+02  0.749181E-07 0.100000E-04    0.555288E+00
 112    0.324068E-01    0.907828E+01 -0.100000E-04 0.100000E-04    0.599503E+00
 113    0.963630E-01    0.574902E+01 -0.231199E-04 0.231199E-04    0.166270E+00
 114    0.913505E+00    0.316655E+01  0.100000E-04 0.100000E-04    0.805197E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2311987320E-04    0.2677970609    

 Beginning of optimization cycle  616.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993852388
 potential> RMS force:                                               0.0860871938   |gradient|=.9191597043    
 Eigenvalues of the Hessian matrix:
   746.71531    674.04307    630.71770    600.70057    586.36234    578.89174 
   564.86762    487.45008    460.59510    459.76668    441.65875    429.39638 
   421.89845    407.92746    396.33093    387.45319    370.03497    360.56984 
   349.33737    335.30439    329.31311    321.82776    319.13288    309.38150 
   300.81125    290.60164    279.00989    272.74040    268.54031    264.95717 
   263.84238    253.20988    241.57653    240.77870    234.02043    227.52278 
   217.14088    214.89353    213.25765    207.68114    202.99445    195.42474 
   194.84525    191.36715    182.96678    174.36492    172.33940    168.21853 
   163.21842    156.87184    154.91688    152.25345    146.65916    143.34344 
   138.09827    135.87320    130.28866    128.84204    126.90055    124.06254 
   120.01322    118.16893    116.83341    110.36541    106.82448    104.45577 
   102.85613     99.51172     96.08833     94.10107     91.96447     91.23355 
    88.41391     85.61211     80.83552     80.50877     77.95450     73.28286 
    72.55028     67.91445     64.74885     61.34463     59.83430     59.40153 
    58.13579     55.87202     52.44474     52.02573     50.24742     46.15356 
    43.34688     40.91756     37.86744     36.20423     32.26429     28.90537 
    28.45332     26.30208     23.33185     21.32958     19.85286     16.45463 
    13.90934     12.24353     10.08949      9.07989      5.74922      3.16624 
overlap for current and previous eigenvector    109 is         0.9999999874
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999645
overlap for current and previous eigenvector    112 is         0.9999999257
overlap for current and previous eigenvector    113 is         0.9999999247
overlap for current and previous eigenvector    114 is         0.9999999620
J1,K1,R1,R2,RAT=   7   7    0.4255731292E-02     1.995733488        0.9957334881    
FOB,PFOB,DIAG,PSTEP=   -0.1714395139E-06   -0.1721722366E-06     746.7153100        0.2305740385E-09
J1,K1,R1,R2,RAT=   8   8   -0.4449529263E-01     2.044499675        0.9555047074    
FOB,PFOB,DIAG,PSTEP=   -0.4311960570E-06   -0.4128272289E-06     674.0430684        0.6124628286E-09
J1,K1,R1,R2,RAT=   9   9   -0.4764811341E-01     2.047638276        0.9523518866    
FOB,PFOB,DIAG,PSTEP=   -0.7705737045E-06   -0.7355270555E-06     630.7177008        0.1166180484E-08
J1,K1,R1,R2,RAT=  10  10   -0.8809163578         2.880924026        0.1190836422    
FOB,PFOB,DIAG,PSTEP=   -0.5157522254E-07   -0.2742031294E-07     600.7005715        0.4564704799E-10
J1,K1,R1,R2,RAT=  11  11   -0.1302544041         2.130256513        0.8697455959    
FOB,PFOB,DIAG,PSTEP=    0.2132837776E-07    0.1887042445E-07     586.3623425       -0.3218215630E-10
J1,K1,R1,R2,RAT= 109 109   -0.4359343639E-01     2.043584842        0.9564065636    
FOB,PFOB,DIAG,PSTEP=    0.5886494050E-05    0.5640599862E-05     13.90933598       -0.4055279209E-06
J1,K1,R1,R2,RAT= 110 110   -0.1483158281         2.148312886        0.8516841719    
FOB,PFOB,DIAG,PSTEP=   -0.1088336472E-04   -0.9477673639E-05     12.24353016        0.7740976221E-06
J1,K1,R1,R2,RAT= 111 111   -0.7762042842         2.776218193        0.2237957158    
FOB,PFOB,DIAG,PSTEP=   -0.1342611534E-05   -0.7558903139E-06     10.08948879        0.7491807298E-07
J1,K1,R1,R2,RAT= 112 112    0.3688851953         713.4458985        0.6311148047    
FOB,PFOB,DIAG,PSTEP=    0.3237329286E-01    0.3240678722E-01     9.079886817       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7822398140         1450.709073        0.2177601860    
FOB,PFOB,DIAG,PSTEP=    0.9646693168E-01    0.9636295548E-01     5.749215290       -0.2311987320E-04
J1,K1,R1,R2,RAT= 114 114    0.1465180636        -57702.95863        0.8534819364    
FOB,PFOB,DIAG,PSTEP=    0.9135100773        0.9135054382         3.166242354        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00003 
     0.00001     -0.00001     -0.00000      0.03237      0.09647      0.91351 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3821915994
 Log product of positive Hessian eigenvalues =          519.0725699511
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1662423537
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000075
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000053
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=        0.0000000078
 Unscaled step for mode   62=       -0.0000000073
 Unscaled step for mode   63=       -0.0000000171
 Unscaled step for mode   64=        0.0000000015
 Unscaled step for mode   65=       -0.0000000114
 Unscaled step for mode   66=        0.0000000057
 Unscaled step for mode   67=       -0.0000000163
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=        0.0000000129
 Unscaled step for mode   71=        0.0000000071
 Unscaled step for mode   72=        0.0000000088
 Unscaled step for mode   73=       -0.0000000019
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=        0.0000000008
 Unscaled step for mode   76=       -0.0000000025
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=       -0.0000000095
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000162
 Unscaled step for mode   82=        0.0000000166
 Unscaled step for mode   83=       -0.0000000029
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=       -0.0000000313
 Unscaled step for mode   86=       -0.0000000096
 Unscaled step for mode   87=        0.0000000163
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000363
 Unscaled step for mode   90=        0.0000000384
 Unscaled step for mode   91=        0.0000000536
 Unscaled step for mode   92=       -0.0000000679
 Unscaled step for mode   93=        0.0000000645
 Unscaled step for mode   94=       -0.0000000114
 Unscaled step for mode   95=        0.0000000430
 Unscaled step for mode   96=       -0.0000000281
 Unscaled step for mode   97=        0.0000000813
 Unscaled step for mode   98=        0.0000000192
 Unscaled step for mode   99=       -0.0000000613
 Unscaled step for mode  100=       -0.0000000481
 Unscaled step for mode  101=        0.0000003575
 Unscaled step for mode  102=        0.0000000122
 Unscaled step for mode  103=        0.0000000938
 Unscaled step for mode  104=        0.0000000444
 Unscaled step for mode  105=        0.0000002826
 Unscaled step for mode  106=       -0.0000002592
 Unscaled step for mode  107=        0.0000011380
 Unscaled step for mode  108=        0.0000015309
 Unscaled step for mode  109=       -0.0000004232
 Unscaled step for mode  110=        0.0000008889
 Unscaled step for mode  111=        0.0000001331
 Unscaled step for mode  112=       -0.0035653397
 Unscaled step for mode  113=       -0.0167744262
 Unscaled step for mode  114=        0.2678208776
 Largest modulus ratio of non-zero e/values=           235.8364353    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.340548E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.160988E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.448887E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.251777E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.628946E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.292701E-14    0.974303E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171440E-06    0.746715E+03  0.229592E-09 0.100000E-04    0.995733E+00
   8   -0.431196E-06    0.674043E+03  0.639716E-09 0.100000E-04    0.955505E+00
   9   -0.770574E-06    0.630718E+03  0.122174E-08 0.100000E-04    0.952352E+00
  10   -0.515752E-07    0.600701E+03  0.858585E-10 0.109000E-04    0.119084E+00
  11    0.213284E-07    0.586362E+03 -0.363741E-10 0.100000E-04    0.869746E+00
  12   -0.110186E-05    0.578892E+03  0.190339E-08 0.100000E-04    0.948335E+00
  13    0.480837E-07    0.564868E+03 -0.851238E-10 0.100000E-04    0.934041E+00
  14    0.464425E-06    0.487450E+03 -0.952763E-09 0.100000E-04    0.937056E+00
  15   -0.464180E-06    0.460595E+03  0.100778E-08 0.100000E-04    0.945773E+00
  16   -0.146946E-06    0.459767E+03  0.319609E-09 0.100000E-04    0.810169E+00
  17   -0.636770E-06    0.441659E+03  0.144177E-08 0.100000E-04    0.912741E+00
  18   -0.448068E-06    0.429396E+03  0.104348E-08 0.100000E-04    0.940769E+00
  19   -0.117393E-06    0.421898E+03  0.278250E-09 0.100000E-04    0.775561E+00
  20   -0.409384E-06    0.407927E+03  0.100357E-08 0.100000E-04    0.929993E+00
  21   -0.464031E-06    0.396331E+03  0.117082E-08 0.100000E-04    0.926730E+00
  22   -0.659452E-06    0.387453E+03  0.170202E-08 0.100000E-04    0.993423E+00
  23    0.876488E-06    0.370035E+03 -0.236866E-08 0.100000E-04    0.929929E+00
  24   -0.449725E-06    0.360570E+03  0.124726E-08 0.100000E-04    0.980823E+00
  25   -0.492519E-07    0.349337E+03  0.140987E-09 0.100000E-04    0.585425E+00
  26   -0.146529E-07    0.335304E+03  0.437004E-10 0.100000E-04    0.228238E+00
  27    0.409370E-06    0.329313E+03 -0.124310E-08 0.100000E-04    0.897399E+00
  28   -0.431319E-06    0.321828E+03  0.134022E-08 0.100000E-04    0.906146E+00
  29   -0.138720E-06    0.319133E+03  0.434679E-09 0.100000E-04    0.228237E+00
  30   -0.144750E-05    0.309382E+03  0.467868E-08 0.100000E-04    0.967513E+00
  31   -0.109677E-05    0.300811E+03  0.364606E-08 0.100000E-04    0.960245E+00
  32   -0.129911E-05    0.290602E+03  0.447040E-08 0.100000E-04    0.973330E+00
  33   -0.617187E-07    0.279010E+03  0.221206E-09 0.100000E-04    0.128237E+01
  34   -0.665724E-08    0.272740E+03  0.244087E-10 0.109000E-04    0.131675E+00
  35    0.108601E-05    0.268540E+03 -0.404411E-08 0.100000E-04    0.974512E+00
  36    0.130076E-05    0.264957E+03 -0.490932E-08 0.100000E-04    0.985254E+00
  37   -0.544618E-06    0.263842E+03  0.206418E-08 0.100000E-04    0.901806E+00
  38   -0.144425E-06    0.253210E+03  0.570376E-09 0.100000E-04    0.979947E+00
  39   -0.342984E-06    0.241577E+03  0.141977E-08 0.100000E-04    0.908045E+00
  40   -0.130780E-05    0.240779E+03  0.543153E-08 0.100000E-04    0.988252E+00
  41   -0.100876E-05    0.234020E+03  0.431055E-08 0.100000E-04    0.993569E+00
  42   -0.179835E-05    0.227523E+03  0.790406E-08 0.100000E-04    0.969824E+00
  43   -0.245554E-07    0.217141E+03  0.113085E-09 0.100000E-04    0.946556E+00
  44   -0.206729E-05    0.214894E+03  0.962006E-08 0.100000E-04    0.971824E+00
  45    0.708911E-06    0.213258E+03 -0.332420E-08 0.100000E-04    0.983664E+00
  46    0.111103E-05    0.207681E+03 -0.534970E-08 0.100000E-04    0.984057E+00
  47   -0.788470E-06    0.202994E+03  0.388419E-08 0.100000E-04    0.968608E+00
  48   -0.129922E-05    0.195425E+03  0.664817E-08 0.100000E-04    0.935932E+00
  49    0.100731E-05    0.194845E+03 -0.516979E-08 0.100000E-04    0.952671E+00
  50    0.143499E-05    0.191367E+03 -0.749860E-08 0.100000E-04    0.886970E+00
  51    0.251667E-06    0.182967E+03 -0.137548E-08 0.100000E-04    0.871523E+00
  52   -0.643369E-06    0.174365E+03  0.368979E-08 0.100000E-04    0.936468E+00
  53    0.925474E-07    0.172339E+03 -0.537007E-09 0.100000E-04    0.817165E+00
  54   -0.215392E-06    0.168219E+03  0.128043E-08 0.100000E-04    0.944308E+00
  55   -0.857514E-06    0.163218E+03  0.525378E-08 0.100000E-04    0.992640E+00
  56    0.140973E-05    0.156872E+03 -0.898654E-08 0.100000E-04    0.975125E+00
  57   -0.417827E-06    0.154917E+03  0.269711E-08 0.100000E-04    0.830576E+00
  58    0.930337E-06    0.152253E+03 -0.611045E-08 0.100000E-04    0.997644E+00
  59   -0.655238E-06    0.146659E+03  0.446776E-08 0.100000E-04    0.999700E+00
  60   -0.240810E-06    0.143343E+03  0.167995E-08 0.100000E-04    0.714925E+00
  61   -0.107906E-05    0.138098E+03  0.781368E-08 0.100000E-04    0.821579E+00
  62    0.987150E-06    0.135873E+03 -0.726523E-08 0.100000E-04    0.974814E+00
  63    0.222871E-05    0.130289E+03 -0.171059E-07 0.100000E-04    0.923537E+00
  64   -0.198795E-06    0.128842E+03  0.154294E-08 0.109000E-04    0.962826E-01
  65    0.144211E-05    0.126901E+03 -0.113641E-07 0.100000E-04    0.889051E+00
  66   -0.711097E-06    0.124063E+03  0.573176E-08 0.100000E-04    0.886634E+00
  67    0.195455E-05    0.120013E+03 -0.162861E-07 0.100000E-04    0.964369E+00
  68    0.479712E-06    0.118169E+03 -0.405955E-08 0.100000E-04    0.935226E+00
  69   -0.815833E-07    0.116833E+03  0.698287E-09 0.100000E-04    0.105766E+01
  70   -0.142815E-05    0.110365E+03  0.129402E-07 0.100000E-04    0.949060E+00
  71   -0.754749E-06    0.106824E+03  0.706532E-08 0.100000E-04    0.922154E+00
  72   -0.914288E-06    0.104456E+03  0.875287E-08 0.100000E-04    0.877268E+00
  73    0.193410E-06    0.102856E+03 -0.188039E-08 0.100000E-04    0.742840E+00
  74    0.323822E-07    0.995117E+02 -0.325410E-09 0.100000E-04    0.442163E+00
  75   -0.773283E-07    0.960883E+02  0.804763E-09 0.100000E-04    0.383180E+00
  76    0.231175E-06    0.941011E+02 -0.245667E-08 0.100000E-04    0.870353E+00
  77    0.149626E-05    0.919645E+02 -0.162700E-07 0.100000E-04    0.963382E+00
  78    0.868089E-06    0.912336E+02 -0.951502E-08 0.100000E-04    0.974722E+00
  79   -0.739788E-06    0.884139E+02  0.836733E-08 0.100000E-04    0.987834E+00
  80   -0.557059E-06    0.856121E+02  0.650678E-08 0.100000E-04    0.916972E+00
  81    0.131174E-05    0.808355E+02 -0.162273E-07 0.100000E-04    0.994226E+00
  82   -0.133461E-05    0.805088E+02  0.165772E-07 0.100000E-04    0.937720E+00
  83    0.227921E-06    0.779545E+02 -0.292377E-08 0.100000E-04    0.818907E+00
  84    0.545419E-06    0.732829E+02 -0.744265E-08 0.100000E-04    0.455113E+00
  85    0.227238E-05    0.725503E+02 -0.313215E-07 0.100000E-04    0.891773E+00
  86    0.654855E-06    0.679144E+02 -0.964235E-08 0.100000E-04    0.850751E+00
  87   -0.105425E-05    0.647488E+02  0.162821E-07 0.100000E-04    0.793675E+00
  88   -0.119156E-05    0.613446E+02  0.194241E-07 0.100000E-04    0.967593E+00
  89    0.217388E-05    0.598343E+02 -0.363316E-07 0.100000E-04    0.947253E+00
  90   -0.228168E-05    0.594015E+02  0.384111E-07 0.100000E-04    0.979846E+00
  91   -0.311867E-05    0.581358E+02  0.536445E-07 0.100000E-04    0.930102E+00
  92    0.379610E-05    0.558720E+02 -0.679427E-07 0.100000E-04    0.953744E+00
  93   -0.338403E-05    0.524447E+02  0.645257E-07 0.100000E-04    0.985855E+00
  94    0.594295E-06    0.520257E+02 -0.114231E-07 0.100000E-04    0.858724E+00
  95   -0.216304E-05    0.502474E+02  0.430477E-07 0.100000E-04    0.882675E+00
  96    0.129714E-05    0.461536E+02 -0.281049E-07 0.100000E-04    0.931609E+00
  97   -0.352464E-05    0.433469E+02  0.813124E-07 0.100000E-04    0.889700E+00
  98   -0.787274E-06    0.409176E+02  0.192405E-07 0.100000E-04    0.576458E+00
  99    0.232097E-05    0.378674E+02 -0.612921E-07 0.100000E-04    0.799085E+00
 100    0.174154E-05    0.362042E+02 -0.481031E-07 0.100000E-04    0.893997E+00
 101   -0.115352E-04    0.322643E+02  0.357521E-06 0.100000E-04    0.946226E+00
 102   -0.352294E-06    0.289054E+02  0.121878E-07 0.100000E-04    0.983279E+00
 103   -0.266911E-05    0.284533E+02  0.938068E-07 0.100000E-04    0.962564E+00
 104   -0.116788E-05    0.263021E+02  0.444026E-07 0.100000E-04    0.811779E+00
 105   -0.659385E-05    0.233319E+02  0.282612E-06 0.100000E-04    0.933681E+00
 106    0.552929E-05    0.213296E+02 -0.259231E-06 0.100000E-04    0.967014E+00
 107   -0.225931E-04    0.198529E+02  0.113803E-05 0.100000E-04    0.926316E+00
 108   -0.251908E-04    0.164546E+02  0.153092E-05 0.100000E-04    0.936566E+00
 109    0.588649E-05    0.139093E+02 -0.423205E-06 0.100000E-04    0.956407E+00
 110   -0.108834E-04    0.122435E+02  0.888907E-06 0.100000E-04    0.851684E+00
 111   -0.134261E-05    0.100895E+02  0.133070E-06 0.100000E-04    0.223796E+00
 112    0.323733E-01    0.907989E+01 -0.100000E-04 0.100000E-04    0.631115E+00
 113    0.964669E-01    0.574922E+01 -0.208287E-04 0.208287E-04    0.217760E+00
 114    0.913510E+00    0.316624E+01  0.100000E-04 0.100000E-04    0.853482E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2082871460E-04    0.2678208776    

 Beginning of optimization cycle  617.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993784349
 potential> RMS force:                                               0.0860886645   |gradient|=.9191754075    
 Eigenvalues of the Hessian matrix:
   746.71921    674.04183    630.72067    600.69825    586.36181    578.89196 
   564.86366    487.44976    460.59379    459.76613    441.65817    429.39763 
   421.89784    407.92585    396.33038    387.45177    370.03544    360.57000 
   349.33662    335.30502    329.31396    321.82753    319.13350    309.38035 
   300.81064    290.60169    279.01134    272.74085    268.54052    264.95749 
   263.84296    253.20927    241.57680    240.77911    234.02119    227.52309 
   217.14157    214.89367    213.25736    207.68162    202.99404    195.42392 
   194.84561    191.36761    182.96750    174.36564    172.33963    168.21880 
   163.21809    156.87161    154.91740    152.25327    146.65857    143.34305 
   138.09878    135.87320    130.28841    128.84225    126.90075    124.06143 
   120.01340    118.16907    116.83300    110.36565    106.82432    104.45601 
   102.85621     99.51165     96.08814     94.10085     91.96405     91.23376 
    88.41339     85.61240     80.83560     80.50945     77.95428     73.28266 
    72.54972     67.91416     64.74840     61.34416     59.83405     59.40163 
    58.13575     55.87181     52.44464     52.02537     50.24800     46.15315 
    43.34744     40.91768     37.86740     36.20391     32.26392     28.90570 
    28.45338     26.30235     23.33175     21.32982     19.85275     16.45453 
    13.90939     12.24355     10.08942      9.08139      5.74939      3.16595 
overlap for current and previous eigenvector    109 is         0.9999999891
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999704
overlap for current and previous eigenvector    112 is         0.9999999361
overlap for current and previous eigenvector    113 is         0.9999999339
overlap for current and previous eigenvector    114 is         0.9999999671
J1,K1,R1,R2,RAT=   7   7   -0.1133714696E-01     2.011326704        0.9886628530    
FOB,PFOB,DIAG,PSTEP=   -0.1733831590E-06   -0.1714395139E-06     746.7192090        0.2295915345E-09
J1,K1,R1,R2,RAT=   8   8    0.5106722045E-01     1.948936446        0.9489327795    
FOB,PFOB,DIAG,PSTEP=   -0.4091761132E-06   -0.4311960570E-06     674.0418328        0.6397158835E-09
J1,K1,R1,R2,RAT=   9   9    0.5531123804E-01     1.944679333        0.9446793334    
FOB,PFOB,DIAG,PSTEP=   -0.7279521180E-06   -0.7705737045E-06     630.7206742        0.1221741047E-08
J1,K1,R1,R2,RAT=  10  10    0.5419900407         1.458017674        0.4580099593    
FOB,PFOB,DIAG,PSTEP=   -0.2362207340E-07   -0.5157522254E-07     600.6982546        0.8585845426E-10
J1,K1,R1,R2,RAT=  11  11    0.1923216454         1.807680180        0.8076783546    
FOB,PFOB,DIAG,PSTEP=    0.1722647280E-07    0.2132837776E-07     586.3618073       -0.3637405783E-10
J1,K1,R1,R2,RAT= 109 109    0.4789800141E-01     1.952093581        0.9520935809    
FOB,PFOB,DIAG,PSTEP=    0.5604541563E-05    0.5886494050E-05     13.90939452       -0.4232045339E-06
J1,K1,R1,R2,RAT= 110 110    0.1535075089         1.846489449        0.8464894487    
FOB,PFOB,DIAG,PSTEP=   -0.9212683972E-05   -0.1088336472E-04     12.24354878        0.8889074131E-06
J1,K1,R1,R2,RAT= 111 111    0.4260528851         1.573961415        0.5739471149    
FOB,PFOB,DIAG,PSTEP=   -0.7705921063E-06   -0.1342611534E-05     10.08941665        0.1330703232E-06
J1,K1,R1,R2,RAT= 112 112    0.4073650452         712.5517694        0.5926349548    
FOB,PFOB,DIAG,PSTEP=    0.3233629846E-01    0.3237329286E-01     9.081388062       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8390573607         1611.944765        0.1609426393    
FOB,PFOB,DIAG,PSTEP=    0.9656741085E-01    0.9646693168E-01     5.749392464       -0.2082871460E-04
J1,K1,R1,R2,RAT= 114 114    0.2051423124        -57708.72343        0.7948576876    
FOB,PFOB,DIAG,PSTEP=    0.9135165720        0.9135100773         3.165945356        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03234      0.09657      0.91352 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3821699979
 Log product of positive Hessian eigenvalues =          519.0726431942
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1659453558
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000053
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000045
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000064
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000156
 Unscaled step for mode   64=        0.0000000007
 Unscaled step for mode   65=       -0.0000000100
 Unscaled step for mode   66=        0.0000000051
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000002
 Unscaled step for mode   70=        0.0000000122
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=        0.0000000102
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000023
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=       -0.0000000092
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000059
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000154
 Unscaled step for mode   83=       -0.0000000037
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000278
 Unscaled step for mode   86=       -0.0000000081
 Unscaled step for mode   87=        0.0000000129
 Unscaled step for mode   88=        0.0000000201
 Unscaled step for mode   89=       -0.0000000342
 Unscaled step for mode   90=        0.0000000374
 Unscaled step for mode   91=        0.0000000491
 Unscaled step for mode   92=       -0.0000000642
 Unscaled step for mode   93=        0.0000000632
 Unscaled step for mode   94=       -0.0000000135
 Unscaled step for mode   95=        0.0000000379
 Unscaled step for mode   96=       -0.0000000257
 Unscaled step for mode   97=        0.0000000716
 Unscaled step for mode   98=        0.0000000127
 Unscaled step for mode   99=       -0.0000000493
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=        0.0000003343
 Unscaled step for mode  102=        0.0000000023
 Unscaled step for mode  103=        0.0000000898
 Unscaled step for mode  104=        0.0000000575
 Unscaled step for mode  105=        0.0000002610
 Unscaled step for mode  106=       -0.0000002486
 Unscaled step for mode  107=        0.0000010420
 Unscaled step for mode  108=        0.0000014183
 Unscaled step for mode  109=       -0.0000004029
 Unscaled step for mode  110=        0.0000007525
 Unscaled step for mode  111=        0.0000000764
 Unscaled step for mode  112=       -0.0035606769
 Unscaled step for mode  113=       -0.0167913713
 Unscaled step for mode  114=        0.2678442879
 Largest modulus ratio of non-zero e/values=           235.8597907    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.828547E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.143895E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.383726E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.100625E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.608012E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.386563E-14    0.974304E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173383E-06    0.746719E+03  0.232193E-09 0.100000E-04    0.988663E+00
   8   -0.409176E-06    0.674042E+03  0.607049E-09 0.100000E-04    0.948933E+00
   9   -0.727952E-06    0.630721E+03  0.115416E-08 0.100000E-04    0.944679E+00
  10   -0.236221E-07    0.600698E+03  0.393244E-10 0.100000E-04    0.458010E+00
  11    0.172265E-07    0.586362E+03 -0.293786E-10 0.100000E-04    0.807678E+00
  12   -0.103730E-05    0.578892E+03  0.179188E-08 0.100000E-04    0.941412E+00
  13    0.518134E-07    0.564864E+03 -0.917273E-10 0.100000E-04    0.922431E+00
  14    0.432640E-06    0.487450E+03 -0.887558E-09 0.100000E-04    0.931561E+00
  15   -0.435230E-06    0.460594E+03  0.944932E-09 0.100000E-04    0.937632E+00
  16   -0.119029E-06    0.459766E+03  0.258891E-09 0.100000E-04    0.810022E+00
  17   -0.576840E-06    0.441658E+03  0.130608E-08 0.100000E-04    0.905885E+00
  18   -0.417262E-06    0.429398E+03  0.971739E-09 0.100000E-04    0.931242E+00
  19   -0.157120E-06    0.421898E+03  0.372412E-09 0.100000E-04    0.661593E+00
  20   -0.377220E-06    0.407926E+03  0.924727E-09 0.100000E-04    0.921433E+00
  21   -0.426137E-06    0.396330E+03  0.107521E-08 0.100000E-04    0.918338E+00
  22   -0.652372E-06    0.387452E+03  0.168375E-08 0.100000E-04    0.989264E+00
  23    0.808195E-06    0.370035E+03 -0.218410E-08 0.100000E-04    0.922082E+00
  24   -0.438970E-06    0.360570E+03  0.121743E-08 0.100000E-04    0.976083E+00
  25   -0.896403E-07    0.349337E+03  0.256601E-09 0.109000E-04    0.179961E+00
  26   -0.746202E-07    0.335305E+03  0.222544E-09 0.100000E-04    0.309250E+01
  27    0.362977E-06    0.329314E+03 -0.110222E-08 0.100000E-04    0.886666E+00
  28   -0.385727E-06    0.321828E+03  0.119855E-08 0.100000E-04    0.894296E+00
  29   -0.629997E-07    0.319134E+03  0.197408E-09 0.100000E-04    0.454146E+00
  30   -0.138701E-05    0.309380E+03  0.448319E-08 0.100000E-04    0.958213E+00
  31   -0.104572E-05    0.300811E+03  0.347635E-08 0.100000E-04    0.953454E+00
  32   -0.125595E-05    0.290602E+03  0.432190E-08 0.100000E-04    0.966780E+00
  33   -0.102383E-07    0.279011E+03  0.366950E-10 0.109000E-04    0.165881E+00
  34   -0.602427E-07    0.272741E+03  0.220879E-09 0.100000E-04    0.704918E+01
  35    0.105000E-05    0.268541E+03 -0.391002E-08 0.100000E-04    0.966843E+00
  36    0.127622E-05    0.264957E+03 -0.481669E-08 0.100000E-04    0.981129E+00
  37   -0.487254E-06    0.263843E+03  0.184676E-08 0.100000E-04    0.894667E+00
  38   -0.147380E-06    0.253209E+03  0.582047E-09 0.100000E-04    0.979541E+00
  39   -0.386956E-06    0.241577E+03  0.160179E-08 0.100000E-04    0.871795E+00
  40   -0.128737E-05    0.240779E+03  0.534666E-08 0.100000E-04    0.984373E+00
  41   -0.101657E-05    0.234021E+03  0.434392E-08 0.100000E-04    0.992256E+00
  42   -0.172885E-05    0.227523E+03  0.759859E-08 0.100000E-04    0.961351E+00
  43   -0.211614E-07    0.217142E+03  0.974546E-10 0.100000E-04    0.861777E+00
  44   -0.199692E-05    0.214894E+03  0.929261E-08 0.100000E-04    0.965961E+00
  45    0.720315E-06    0.213257E+03 -0.337768E-08 0.100000E-04    0.983914E+00
  46    0.109137E-05    0.207682E+03 -0.525500E-08 0.100000E-04    0.982296E+00
  47   -0.760140E-06    0.202994E+03  0.374464E-08 0.100000E-04    0.964071E+00
  48   -0.120138E-05    0.195424E+03  0.614754E-08 0.100000E-04    0.924691E+00
  49    0.954096E-06    0.194846E+03 -0.489668E-08 0.100000E-04    0.947170E+00
  50    0.125922E-05    0.191368E+03 -0.658013E-08 0.100000E-04    0.877512E+00
  51    0.216906E-06    0.182968E+03 -0.118549E-08 0.100000E-04    0.861871E+00
  52   -0.595457E-06    0.174366E+03  0.341499E-08 0.100000E-04    0.925521E+00
  53    0.118375E-06    0.172340E+03 -0.686869E-09 0.100000E-04    0.720929E+00
  54   -0.229645E-06    0.168219E+03  0.136516E-08 0.100000E-04    0.933826E+00
  55   -0.860203E-06    0.163218E+03  0.527027E-08 0.100000E-04    0.996865E+00
  56    0.136790E-05    0.156872E+03 -0.871985E-08 0.100000E-04    0.970322E+00
  57   -0.348007E-06    0.154917E+03  0.224641E-08 0.100000E-04    0.832891E+00
  58    0.929724E-06    0.152253E+03 -0.610643E-08 0.100000E-04    0.999341E+00
  59   -0.652737E-06    0.146659E+03  0.445072E-08 0.100000E-04    0.996183E+00
  60   -0.178924E-06    0.143343E+03  0.124822E-08 0.100000E-04    0.743008E+00
  61   -0.885059E-06    0.138099E+03  0.640888E-08 0.100000E-04    0.820210E+00
  62    0.955128E-06    0.135873E+03 -0.702955E-08 0.100000E-04    0.967561E+00
  63    0.203661E-05    0.130288E+03 -0.156315E-07 0.100000E-04    0.913807E+00
  64   -0.849834E-07    0.128842E+03  0.659593E-09 0.100000E-04    0.427490E+00
  65    0.127226E-05    0.126901E+03 -0.100256E-07 0.100000E-04    0.882217E+00
  66   -0.627502E-06    0.124061E+03  0.505800E-08 0.100000E-04    0.882442E+00
  67    0.187146E-05    0.120013E+03 -0.155938E-07 0.100000E-04    0.957485E+00
  68    0.444773E-06    0.118169E+03 -0.376387E-08 0.100000E-04    0.927164E+00
  69   -0.205388E-07    0.116833E+03  0.175796E-09 0.100000E-04    0.251750E+00
  70   -0.134414E-05    0.110366E+03  0.121789E-07 0.100000E-04    0.941168E+00
  71   -0.690019E-06    0.106824E+03  0.645938E-08 0.100000E-04    0.914235E+00
  72   -0.106568E-05    0.104456E+03  0.102022E-07 0.100000E-04    0.834410E+00
  73    0.146069E-06    0.102856E+03 -0.142013E-08 0.100000E-04    0.755227E+00
  74    0.787737E-07    0.995117E+02 -0.791603E-09 0.100000E-04    0.432628E+00
  75   -0.221635E-06    0.960881E+02  0.230658E-08 0.100000E-04    0.866166E+00
  76    0.198035E-06    0.941009E+02 -0.210450E-08 0.100000E-04    0.856646E+00
  77   -0.156097E-05    0.919641E+02  0.169737E-07 0.100000E-04    0.956753E+00
  78    0.837924E-06    0.912338E+02 -0.918436E-08 0.100000E-04    0.965246E+00
  79   -0.725911E-06    0.884134E+02  0.821042E-08 0.100000E-04    0.981242E+00
  80   -0.507896E-06    0.856124E+02  0.593250E-08 0.100000E-04    0.911739E+00
  81    0.129892E-05    0.808356E+02 -0.160687E-07 0.100000E-04    0.990225E+00
  82   -0.124018E-05    0.805094E+02  0.154042E-07 0.100000E-04    0.929232E+00
  83    0.286289E-06    0.779543E+02 -0.367252E-08 0.100000E-04    0.743912E+00
  84    0.316610E-06    0.732827E+02 -0.432040E-08 0.100000E-04    0.580489E+00
  85    0.201409E-05    0.725497E+02 -0.277614E-07 0.100000E-04    0.886331E+00
  86    0.550982E-06    0.679142E+02 -0.811292E-08 0.100000E-04    0.841380E+00
  87   -0.835358E-06    0.647484E+02  0.129016E-07 0.100000E-04    0.792373E+00
  88   -0.123080E-05    0.613442E+02  0.200638E-07 0.100000E-04    0.967076E+00
  89    0.204542E-05    0.598341E+02 -0.341850E-07 0.100000E-04    0.940910E+00
  90   -0.222162E-05    0.594016E+02  0.374000E-07 0.100000E-04    0.973675E+00
  91   -0.285192E-05    0.581358E+02  0.490563E-07 0.100000E-04    0.914469E+00
  92    0.358460E-05    0.558718E+02 -0.641576E-07 0.100000E-04    0.944286E+00
  93   -0.331445E-05    0.524446E+02  0.631990E-07 0.100000E-04    0.979437E+00
  94    0.702215E-06    0.520254E+02 -0.134975E-07 0.100000E-04    0.818406E+00
  95   -0.190229E-05    0.502480E+02  0.378580E-07 0.100000E-04    0.879430E+00
  96    0.118548E-05    0.461531E+02 -0.256858E-07 0.100000E-04    0.913917E+00
  97   -0.310240E-05    0.433474E+02  0.715706E-07 0.100000E-04    0.880179E+00
  98   -0.518960E-06    0.409177E+02  0.126830E-07 0.100000E-04    0.659182E+00
  99    0.186574E-05    0.378674E+02 -0.492704E-07 0.100000E-04    0.803862E+00
 100    0.154213E-05    0.362039E+02 -0.425956E-07 0.100000E-04    0.885498E+00
 101   -0.107867E-04    0.322639E+02  0.334327E-06 0.100000E-04    0.935113E+00
 102   -0.655439E-07    0.289057E+02  0.226751E-08 0.109000E-04    0.186035E+00
 103   -0.255534E-05    0.284534E+02  0.898081E-07 0.100000E-04    0.957371E+00
 104   -0.151234E-05    0.263024E+02  0.574984E-07 0.100000E-04    0.705058E+00
 105   -0.608875E-05    0.233317E+02  0.260964E-06 0.100000E-04    0.923397E+00
 106    0.530365E-05    0.213298E+02 -0.248649E-06 0.100000E-04    0.959169E+00
 107   -0.206874E-04    0.198528E+02  0.104204E-05 0.100000E-04    0.915655E+00
 108   -0.233374E-04    0.164545E+02  0.141829E-05 0.100000E-04    0.926425E+00
 109    0.560454E-05    0.139094E+02 -0.402932E-06 0.100000E-04    0.952094E+00
 110   -0.921268E-05    0.122435E+02  0.752452E-06 0.100000E-04    0.846489E+00
 111   -0.770592E-06    0.100894E+02  0.763763E-07 0.100000E-04    0.573947E+00
 112    0.323363E-01    0.908139E+01 -0.100000E-04 0.100000E-04    0.592635E+00
 113    0.965674E-01    0.574939E+01 -0.227033E-04 0.227033E-04    0.160943E+00
 114    0.913517E+00    0.316595E+01  0.100000E-04 0.100000E-04    0.794858E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2270329891E-04    0.2678442879    

 Beginning of optimization cycle  618.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993718135
 potential> RMS force:                                               0.0860900280   |gradient|=.9191899655    
 Eigenvalues of the Hessian matrix:
   746.72320    674.04039    630.72374    600.69596    586.36121    578.89219 
   564.85945    487.44933    460.59244    459.76557    441.65753    429.39903 
   421.89721    407.92414    396.32978    387.45030    370.03591    360.57018 
   349.33591    335.30571    329.31488    321.82725    319.13426    309.37916 
   300.81008    290.60177    279.01290    272.74133    268.54081    264.95784 
   263.84364    253.20868    241.57715    240.77954    234.02203    227.52346 
   217.14236    214.89381    213.25706    207.68214    202.99360    195.42309 
   194.84602    191.36809    182.96829    174.36642    172.33988    168.21910 
   163.21775    156.87138    154.91793    152.25308    146.65794    143.34262 
   138.09933    135.87320    130.28813    128.84247    126.90095    124.06026 
   120.01359    118.16920    116.83254    110.36591    106.82414    104.45623 
   102.85628     99.51158     96.08792     94.10061     91.96364     91.23400 
    88.41286     85.61272     80.83568     80.51016     77.95405     73.28243 
    72.54910     67.91383     64.74792     61.34369     59.83380     59.40172 
    58.13570     55.87156     52.44452     52.02496     50.24861     46.15270 
    43.34803     40.91778     37.86734     36.20351     32.26353     28.90604 
    28.45344     26.30265     23.33165     21.33005     19.85267     16.45443 
    13.90945     12.24357     10.08935      9.08297      5.74959      3.16564 
overlap for current and previous eigenvector    109 is         0.9999999877
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999651
overlap for current and previous eigenvector    112 is         0.9999999272
overlap for current and previous eigenvector    113 is         0.9999999267
overlap for current and previous eigenvector    114 is         0.9999999632
J1,K1,R1,R2,RAT=   7   7    0.3859687263E-02     1.996129635        0.9961296354    
FOB,PFOB,DIAG,PSTEP=   -0.1727139506E-06   -0.1733831590E-06     746.7231955        0.2321932487E-09
J1,K1,R1,R2,RAT=   8   8   -0.4409170383E-01     2.044095993        0.9559082962    
FOB,PFOB,DIAG,PSTEP=   -0.4272173465E-06   -0.4091761132E-06     674.0403871        0.6070485440E-09
J1,K1,R1,R2,RAT=   9   9   -0.4729997350E-01     2.047290237        0.9527000265    
FOB,PFOB,DIAG,PSTEP=   -0.7623844015E-06   -0.7279521180E-06     630.7237448        0.1154159278E-08
J1,K1,R1,R2,RAT=  10  10    -1.006091741         3.006099387        0.6091740623E-02
FOB,PFOB,DIAG,PSTEP=   -0.4738795548E-07   -0.2362207340E-07     600.6959581        0.3932435831E-10
J1,K1,R1,R2,RAT=  11  11   -0.1362056108         2.136207665        0.8637943892    
FOB,PFOB,DIAG,PSTEP=    0.1957281264E-07    0.1722647280E-07     586.3612051       -0.2937857238E-10
J1,K1,R1,R2,RAT= 109 109   -0.4357904660E-01     2.043570444        0.9564209534    
FOB,PFOB,DIAG,PSTEP=    0.5848783192E-05    0.5604541563E-05     13.90945435       -0.4029321013E-06
J1,K1,R1,R2,RAT= 110 110   -0.1499161877         2.149913136        0.8500838123    
FOB,PFOB,DIAG,PSTEP=   -0.1059381654E-04   -0.9212683972E-05     12.24356746        0.7524520983E-06
J1,K1,R1,R2,RAT= 111 111   -0.7621653645         2.762179165        0.2378346355    
FOB,PFOB,DIAG,PSTEP=   -0.1357906667E-05   -0.7705921063E-06     10.08934703        0.7637627956E-07
J1,K1,R1,R2,RAT= 112 112    0.3763076316         711.6437067        0.6236923684    
FOB,PFOB,DIAG,PSTEP=    0.3230211853E-01    0.3233629846E-01     9.082974582       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7865802484         1480.354673        0.2134197516    
FOB,PFOB,DIAG,PSTEP=    0.9667008679E-01    0.9656741085E-01     5.749587120       -0.2270329891E-04
J1,K1,R1,R2,RAT= 114 114    0.1578766446        -57714.69113        0.8421233554    
FOB,PFOB,DIAG,PSTEP=    0.9135215698        0.9135165720         3.165637909        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03230      0.09667      0.91352 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3821498578
 Log product of positive Hessian eigenvalues =          519.0727216005
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1656379093
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000073
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000076
 Unscaled step for mode   62=       -0.0000000072
 Unscaled step for mode   63=       -0.0000000168
 Unscaled step for mode   64=        0.0000000014
 Unscaled step for mode   65=       -0.0000000111
 Unscaled step for mode   66=        0.0000000056
 Unscaled step for mode   67=       -0.0000000161
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=        0.0000000128
 Unscaled step for mode   71=        0.0000000070
 Unscaled step for mode   72=        0.0000000090
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=        0.0000000010
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=        0.0000000094
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=       -0.0000000162
 Unscaled step for mode   82=        0.0000000164
 Unscaled step for mode   83=       -0.0000000030
 Unscaled step for mode   84=       -0.0000000069
 Unscaled step for mode   85=       -0.0000000308
 Unscaled step for mode   86=       -0.0000000093
 Unscaled step for mode   87=        0.0000000156
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000360
 Unscaled step for mode   90=        0.0000000382
 Unscaled step for mode   91=        0.0000000525
 Unscaled step for mode   92=       -0.0000000671
 Unscaled step for mode   93=        0.0000000641
 Unscaled step for mode   94=       -0.0000000116
 Unscaled step for mode   95=        0.0000000423
 Unscaled step for mode   96=       -0.0000000274
 Unscaled step for mode   97=        0.0000000795
 Unscaled step for mode   98=        0.0000000183
 Unscaled step for mode   99=       -0.0000000593
 Unscaled step for mode  100=       -0.0000000471
 Unscaled step for mode  101=        0.0000003520
 Unscaled step for mode  102=        0.0000000102
 Unscaled step for mode  103=        0.0000000931
 Unscaled step for mode  104=        0.0000000476
 Unscaled step for mode  105=        0.0000002781
 Unscaled step for mode  106=       -0.0000002567
 Unscaled step for mode  107=        0.0000011181
 Unscaled step for mode  108=        0.0000015074
 Unscaled step for mode  109=       -0.0000004205
 Unscaled step for mode  110=        0.0000008653
 Unscaled step for mode  111=        0.0000001346
 Unscaled step for mode  112=       -0.0035562920
 Unscaled step for mode  113=       -0.0168086460
 Unscaled step for mode  114=        0.2678680872
 Largest modulus ratio of non-zero e/values=           235.8839567    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.108745E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.191671E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.100455E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.458048E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.277556E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.461323E-14    0.974304E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172714E-06    0.746723E+03  0.231296E-09 0.100000E-04    0.996130E+00
   8   -0.427217E-06    0.674040E+03  0.633816E-09 0.100000E-04    0.955908E+00
   9   -0.762384E-06    0.630724E+03  0.120875E-08 0.100000E-04    0.952700E+00
  10   -0.473880E-07    0.600696E+03  0.788884E-10 0.109000E-04    0.609174E-02
  11    0.195728E-07    0.586361E+03 -0.333801E-10 0.100000E-04    0.863794E+00
  12   -0.109050E-05    0.578892E+03  0.188377E-08 0.100000E-04    0.948717E+00
  13    0.484677E-07    0.564859E+03 -0.858049E-10 0.100000E-04    0.935427E+00
  14    0.459669E-06    0.487449E+03 -0.943009E-09 0.100000E-04    0.937524E+00
  15   -0.458687E-06    0.460592E+03  0.995864E-09 0.100000E-04    0.946102E+00
  16   -0.142044E-06    0.459766E+03  0.308949E-09 0.100000E-04    0.806646E+00
  17   -0.627006E-06    0.441658E+03  0.141967E-08 0.100000E-04    0.913033E+00
  18   -0.441958E-06    0.429399E+03  0.102925E-08 0.100000E-04    0.940814E+00
  19   -0.123759E-06    0.421897E+03  0.293340E-09 0.100000E-04    0.787674E+00
  20   -0.403503E-06    0.407924E+03  0.989162E-09 0.100000E-04    0.930324E+00
  21   -0.457322E-06    0.396330E+03  0.115389E-08 0.100000E-04    0.926820E+00
  22   -0.656553E-06    0.387450E+03  0.169455E-08 0.100000E-04    0.993592E+00
  23    0.864639E-06    0.370036E+03 -0.233664E-08 0.100000E-04    0.930161E+00
  24   -0.447340E-06    0.360570E+03  0.124065E-08 0.100000E-04    0.980931E+00
  25   -0.552357E-07    0.349336E+03  0.158116E-09 0.100000E-04    0.616192E+00
  26   -0.263348E-07    0.335306E+03  0.785397E-10 0.100000E-04    0.352915E+00
  27    0.400138E-06    0.329315E+03 -0.121506E-08 0.100000E-04    0.897622E+00
  28   -0.421962E-06    0.321827E+03  0.131114E-08 0.100000E-04    0.906062E+00
  29   -0.121944E-06    0.319134E+03  0.382108E-09 0.109000E-04    0.643786E-01
  30   -0.143095E-05    0.309379E+03  0.462522E-08 0.100000E-04    0.968323E+00
  31   -0.108670E-05    0.300810E+03  0.361258E-08 0.100000E-04    0.960816E+00
  32   -0.128880E-05    0.290602E+03  0.443493E-08 0.100000E-04    0.973847E+00
  33   -0.522514E-07    0.279013E+03  0.187272E-09 0.100000E-04    0.310349E+01
  34   -0.173514E-07    0.272741E+03  0.636185E-10 0.100000E-04    0.288023E+00
  35    0.107637E-05    0.268541E+03 -0.400821E-08 0.100000E-04    0.974888E+00
  36    0.129454E-05    0.264958E+03 -0.488583E-08 0.100000E-04    0.985644E+00
  37   -0.535086E-06    0.263844E+03  0.202804E-08 0.100000E-04    0.901833E+00
  38   -0.144557E-06    0.253209E+03  0.570899E-09 0.100000E-04    0.980845E+00
  39   -0.352969E-06    0.241577E+03  0.146110E-08 0.100000E-04    0.912165E+00
  40   -0.130210E-05    0.240780E+03  0.540783E-08 0.100000E-04    0.988558E+00
  41   -0.101032E-05    0.234022E+03  0.431721E-08 0.100000E-04    0.993849E+00
  42   -0.178001E-05    0.227523E+03  0.782342E-08 0.100000E-04    0.970409E+00
  43   -0.224103E-07    0.217142E+03  0.103206E-09 0.100000E-04    0.940984E+00
  44   -0.205241E-05    0.214894E+03  0.955080E-08 0.100000E-04    0.972215E+00
  45    0.708598E-06    0.213257E+03 -0.332274E-08 0.100000E-04    0.983733E+00
  46    0.110864E-05    0.207682E+03 -0.533816E-08 0.100000E-04    0.984172E+00
  47   -0.783657E-06    0.202994E+03  0.386050E-08 0.100000E-04    0.969063E+00
  48   -0.127796E-05    0.195423E+03  0.653945E-08 0.100000E-04    0.936254E+00
  49    0.998760E-06    0.194846E+03 -0.512589E-08 0.100000E-04    0.953187E+00
  50    0.140198E-05    0.191368E+03 -0.732609E-08 0.100000E-04    0.886633E+00
  51    0.244903E-06    0.182968E+03 -0.133850E-08 0.100000E-04    0.870925E+00
  52   -0.633076E-06    0.174366E+03  0.363072E-08 0.100000E-04    0.936824E+00
  53    0.978568E-07    0.172340E+03 -0.567813E-09 0.100000E-04    0.826667E+00
  54   -0.217018E-06    0.168219E+03  0.129009E-08 0.100000E-04    0.945013E+00
  55   -0.853426E-06    0.163218E+03  0.522876E-08 0.100000E-04    0.992121E+00
  56    0.140160E-05    0.156871E+03 -0.893474E-08 0.100000E-04    0.975358E+00
  57   -0.407692E-06    0.154918E+03  0.263167E-08 0.100000E-04    0.828496E+00
  58    0.926979E-06    0.152253E+03 -0.608841E-08 0.100000E-04    0.997047E+00
  59   -0.652454E-06    0.146658E+03  0.444882E-08 0.100000E-04    0.999568E+00
  60   -0.231804E-06    0.143343E+03  0.161713E-08 0.100000E-04    0.704457E+00
  61   -0.104544E-05    0.138099E+03  0.757017E-08 0.100000E-04    0.818797E+00
  62    0.979038E-06    0.135873E+03 -0.720553E-08 0.100000E-04    0.974966E+00
  63    0.219140E-05    0.130288E+03 -0.168196E-07 0.100000E-04    0.923998E+00
  64   -0.177369E-06    0.128842E+03  0.137664E-08 0.109000E-04    0.871018E-01
  65    0.141386E-05    0.126901E+03 -0.111415E-07 0.100000E-04    0.888696E+00
  66   -0.698655E-06    0.124060E+03  0.563158E-08 0.100000E-04    0.886608E+00
  67    0.193724E-05    0.120014E+03 -0.161418E-07 0.100000E-04    0.964851E+00
  68    0.473355E-06    0.118169E+03 -0.400574E-08 0.100000E-04    0.935738E+00
  69   -0.748558E-07    0.116833E+03  0.640710E-09 0.100000E-04    0.164462E+01
  70   -0.141196E-05    0.110366E+03  0.127935E-07 0.100000E-04    0.949540E+00
  71   -0.743652E-06    0.106824E+03  0.696146E-08 0.100000E-04    0.922272E+00
  72   -0.940490E-06    0.104456E+03  0.900368E-08 0.100000E-04    0.882518E+00
  73    0.184714E-06    0.102856E+03 -0.179584E-08 0.100000E-04    0.735432E+00
  74    0.382563E-07    0.995116E+02 -0.384441E-09 0.100000E-04    0.485648E+00
  75   -0.991377E-07    0.960879E+02  0.103174E-08 0.100000E-04    0.447299E+00
  76    0.223777E-06    0.941006E+02 -0.237806E-08 0.100000E-04    0.870016E+00
  77   -0.150431E-05    0.919636E+02  0.163577E-07 0.100000E-04    0.963706E+00
  78   -0.858895E-06    0.912340E+02  0.941420E-08 0.100000E-04    0.974972E+00
  79   -0.734448E-06    0.884129E+02  0.830703E-08 0.100000E-04    0.988239E+00
  80   -0.549927E-06    0.856127E+02  0.642343E-08 0.100000E-04    0.917245E+00
  81    0.130591E-05    0.808357E+02 -0.161552E-07 0.100000E-04    0.994618E+00
  82   -0.131676E-05    0.805102E+02  0.163552E-07 0.100000E-04    0.938250E+00
  83    0.236910E-06    0.779540E+02 -0.303910E-08 0.100000E-04    0.827522E+00
  84    0.505337E-06    0.732824E+02 -0.689575E-08 0.100000E-04    0.403911E+00
  85    0.223242E-05    0.725491E+02 -0.307712E-07 0.100000E-04    0.891593E+00
  86    0.634742E-06    0.679138E+02 -0.934629E-08 0.100000E-04    0.847979E+00
  87   -0.101150E-05    0.647479E+02  0.156221E-07 0.100000E-04    0.789144E+00
  88   -0.119082E-05    0.613437E+02  0.194123E-07 0.100000E-04    0.967521E+00
  89    0.215249E-05    0.598338E+02 -0.359745E-07 0.100000E-04    0.947656E+00
  90   -0.226624E-05    0.594017E+02  0.381511E-07 0.100000E-04    0.979915E+00
  91   -0.304939E-05    0.581357E+02  0.524529E-07 0.100000E-04    0.930761E+00
  92    0.374814E-05    0.558716E+02 -0.670849E-07 0.100000E-04    0.954377E+00
  93   -0.335940E-05    0.524445E+02  0.640562E-07 0.100000E-04    0.986438E+00
  94    0.605686E-06    0.520250E+02 -0.116422E-07 0.100000E-04    0.862535E+00
  95   -0.212567E-05    0.502486E+02  0.423031E-07 0.100000E-04    0.882572E+00
  96    0.126463E-05    0.461527E+02 -0.274011E-07 0.100000E-04    0.933230E+00
  97   -0.344645E-05    0.433480E+02  0.795065E-07 0.100000E-04    0.889104E+00
  98   -0.750613E-06    0.409178E+02  0.183444E-07 0.100000E-04    0.553623E+00
  99    0.224635E-05    0.378673E+02 -0.593215E-07 0.100000E-04    0.796004E+00
 100    0.170575E-05    0.362035E+02 -0.471157E-07 0.100000E-04    0.893896E+00
 101   -0.113582E-04    0.322635E+02  0.352046E-06 0.100000E-04    0.947013E+00
 102   -0.294649E-06    0.289060E+02  0.101933E-07 0.100000E-04    0.249540E+01
 103   -0.265034E-05    0.284534E+02  0.931465E-07 0.100000E-04    0.962824E+00
 104   -0.125117E-05    0.263026E+02  0.475680E-07 0.100000E-04    0.827282E+00
 105   -0.648844E-05    0.233317E+02  0.278096E-06 0.100000E-04    0.934356E+00
 106    0.547603E-05    0.213301E+02 -0.256728E-06 0.100000E-04    0.967498E+00
 107   -0.221972E-04    0.198527E+02  0.111810E-05 0.100000E-04    0.927018E+00
 108   -0.248036E-04    0.164544E+02  0.150741E-05 0.100000E-04    0.937174E+00
 109    0.584878E-05    0.139095E+02 -0.420490E-06 0.100000E-04    0.956421E+00
 110   -0.105938E-04    0.122436E+02  0.865256E-06 0.100000E-04    0.850084E+00
 111   -0.135791E-05    0.100893E+02  0.134588E-06 0.100000E-04    0.237835E+00
 112    0.323021E-01    0.908297E+01 -0.100000E-04 0.100000E-04    0.623692E+00
 113    0.966701E-01    0.574959E+01 -0.204534E-04 0.204534E-04    0.213420E+00
 114    0.913522E+00    0.316564E+01  0.100000E-04 0.100000E-04    0.842123E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2045342244E-04    0.2678680872    

 Beginning of optimization cycle  619.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993649767
 potential> RMS force:                                               0.0860915174   |gradient|=.9192058682    
 Eigenvalues of the Hessian matrix:
   746.72706    674.03918    630.72669    600.69365    586.36068    578.89240 
   564.85552    487.44903    460.59115    459.76503    441.65696    429.40025 
   421.89660    407.92255    396.32924    387.44888    370.03638    360.57033 
   349.33516    335.30633    329.31573    321.82704    319.13486    309.37802 
   300.80947    290.60182    279.01432    272.74178    268.54102    264.95816 
   263.84420    253.20806    241.57740    240.77994    234.02277    227.52375 
   217.14304    214.89395    213.25677    207.68262    202.99319    195.42228 
   194.84637    191.36855    182.96899    174.36713    172.34012    168.21937 
   163.21743    156.87116    154.91844    152.25290    146.65735    143.34224 
   138.09984    135.87320    130.28789    128.84268    126.90115    124.05917 
   120.01377    118.16934    116.83213    110.36614    106.82399    104.45647 
   102.85636     99.51151     96.08772     94.10040     91.96323     91.23420 
    88.41235     85.61301     80.83575     80.51082     77.95383     73.28224 
    72.54855     67.91356     64.74747     61.34323     59.83356     59.40183 
    58.13566     55.87135     52.44443     52.02460     50.24919     46.15229 
    43.34859     40.91790     37.86731     36.20321     32.26316     28.90637 
    28.45350     26.30292     23.33155     21.33030     19.85256     16.45433 
    13.90951     12.24359     10.08928      9.08446      5.74976      3.16534 
overlap for current and previous eigenvector    109 is         0.9999999894
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999709
overlap for current and previous eigenvector    112 is         0.9999999374
overlap for current and previous eigenvector    113 is         0.9999999356
overlap for current and previous eigenvector    114 is         0.9999999681
J1,K1,R1,R2,RAT=   7   7   -0.1122710991E-01     2.011216764        0.9887728901    
FOB,PFOB,DIAG,PSTEP=   -0.1746530392E-06   -0.1727139506E-06     746.7270584        0.2312958157E-09
J1,K1,R1,R2,RAT=   8   8    0.5060530621E-01     1.949398279        0.9493946938    
FOB,PFOB,DIAG,PSTEP=   -0.4055979206E-06   -0.4272173465E-06     674.0391788        0.6338156506E-09
J1,K1,R1,R2,RAT=   9   9    0.5481521244E-01     1.945175451        0.9451754512    
FOB,PFOB,DIAG,PSTEP=   -0.7205939435E-06   -0.7623844015E-06     630.7266891        0.1208745362E-08
J1,K1,R1,R2,RAT=  10  10    0.5801500101         1.419857682        0.4198499899    
FOB,PFOB,DIAG,PSTEP=   -0.1989593837E-07   -0.4738795548E-07     600.6936476        0.7888842074E-10
J1,K1,R1,R2,RAT=  11  11    0.2041122354         1.795889541        0.7958877646    
FOB,PFOB,DIAG,PSTEP=    0.1557776564E-07    0.1957281264E-07     586.3606844       -0.3338012895E-10
J1,K1,R1,R2,RAT= 109 109    0.4705061096E-01     1.952940961        0.9529409609    
FOB,PFOB,DIAG,PSTEP=    0.5573593210E-05    0.5848783192E-05     13.90951296       -0.4204897651E-06
J1,K1,R1,R2,RAT= 110 110    0.1549072606         1.845089595        0.8450895951    
FOB,PFOB,DIAG,PSTEP=   -0.8952754860E-05   -0.1059381654E-04     12.24358671        0.8652557003E-06
J1,K1,R1,R2,RAT= 111 111    0.4159269298         1.584087263        0.5840730702    
FOB,PFOB,DIAG,PSTEP=   -0.7931207242E-06   -0.1357906667E-05     10.08927543        0.1345881615E-06
J1,K1,R1,R2,RAT= 112 112    0.4140428312         710.7370628        0.5859571688    
FOB,PFOB,DIAG,PSTEP=    0.3226450498E-01    0.3230211853E-01     9.084459907       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8439144907         1644.861194        0.1560855093    
FOB,PFOB,DIAG,PSTEP=    0.9676933305E-01    0.9667008679E-01     5.749760273       -0.2045342244E-04
J1,K1,R1,R2,RAT= 114 114    0.2155566324        -57720.45412        0.7844433676    
FOB,PFOB,DIAG,PSTEP=    0.9135283929        0.9135215698         3.165342322        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03226      0.09677      0.91353 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3821280291
 Log product of positive Hessian eigenvalues =          519.0727939025
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1653423222
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000064
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000062
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000154
 Unscaled step for mode   64=        0.0000000005
 Unscaled step for mode   65=       -0.0000000098
 Unscaled step for mode   66=        0.0000000050
 Unscaled step for mode   67=       -0.0000000155
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000120
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=        0.0000000104
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000025
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=       -0.0000000091
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000059
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000152
 Unscaled step for mode   83=       -0.0000000038
 Unscaled step for mode   84=       -0.0000000038
 Unscaled step for mode   85=       -0.0000000273
 Unscaled step for mode   86=       -0.0000000078
 Unscaled step for mode   87=        0.0000000123
 Unscaled step for mode   88=        0.0000000200
 Unscaled step for mode   89=       -0.0000000339
 Unscaled step for mode   90=        0.0000000372
 Unscaled step for mode   91=        0.0000000479
 Unscaled step for mode   92=       -0.0000000634
 Unscaled step for mode   93=        0.0000000628
 Unscaled step for mode   94=       -0.0000000137
 Unscaled step for mode   95=        0.0000000372
 Unscaled step for mode   96=       -0.0000000250
 Unscaled step for mode   97=        0.0000000699
 Unscaled step for mode   98=        0.0000000119
 Unscaled step for mode   99=       -0.0000000475
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003292
 Unscaled step for mode  102=        0.0000000004
 Unscaled step for mode  103=        0.0000000892
 Unscaled step for mode  104=        0.0000000605
 Unscaled step for mode  105=        0.0000002568
 Unscaled step for mode  106=       -0.0000002464
 Unscaled step for mode  107=        0.0000010237
 Unscaled step for mode  108=        0.0000013966
 Unscaled step for mode  109=       -0.0000004007
 Unscaled step for mode  110=        0.0000007312
 Unscaled step for mode  111=        0.0000000786
 Unscaled step for mode  112=       -0.0035515703
 Unscaled step for mode  113=       -0.0168253864
 Unscaled step for mode  114=        0.2678914845
 Largest modulus ratio of non-zero e/values=           235.9072045    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.593384E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.165265E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.235841E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.165742E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.163064E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.430700E-14    0.974304E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174653E-06    0.746727E+03  0.233891E-09 0.100000E-04    0.988773E+00
   8   -0.405598E-06    0.674039E+03  0.601742E-09 0.100000E-04    0.949395E+00
   9   -0.720594E-06    0.630727E+03  0.114248E-08 0.100000E-04    0.945175E+00
  10   -0.198959E-07    0.600694E+03  0.331216E-10 0.100000E-04    0.419850E+00
  11    0.155778E-07    0.586361E+03 -0.265669E-10 0.100000E-04    0.795888E+00
  12   -0.102718E-05    0.578892E+03  0.177439E-08 0.100000E-04    0.941933E+00
  13    0.521494E-07    0.564856E+03 -0.923234E-10 0.100000E-04    0.924038E+00
  14    0.428479E-06    0.487449E+03 -0.879022E-09 0.100000E-04    0.932145E+00
  15   -0.430271E-06    0.460591E+03  0.934171E-09 0.100000E-04    0.938048E+00
  16   -0.114613E-06    0.459765E+03  0.249286E-09 0.100000E-04    0.806882E+00
  17   -0.568153E-06    0.441657E+03  0.128641E-08 0.100000E-04    0.906136E+00
  18   -0.411744E-06    0.429400E+03  0.958881E-09 0.100000E-04    0.931629E+00
  19   -0.162851E-06    0.421897E+03  0.385996E-09 0.100000E-04    0.684135E+00
  20   -0.371947E-06    0.407923E+03  0.911808E-09 0.100000E-04    0.921794E+00
  21   -0.420123E-06    0.396329E+03  0.106004E-08 0.100000E-04    0.918659E+00
  22   -0.649670E-06    0.387449E+03  0.167679E-08 0.100000E-04    0.989517E+00
  23    0.797632E-06    0.370036E+03 -0.215555E-08 0.100000E-04    0.922501E+00
  24   -0.436863E-06    0.360570E+03  0.121159E-08 0.100000E-04    0.976577E+00
  25   -0.949304E-07    0.349335E+03  0.271746E-09 0.100000E-04    0.281356E+00
  26   -0.854244E-07    0.335306E+03  0.254765E-09 0.100000E-04    0.124378E+01
  27    0.354531E-06    0.329316E+03 -0.107657E-08 0.100000E-04    0.886018E+00
  28   -0.377151E-06    0.321827E+03  0.117191E-08 0.100000E-04    0.893805E+00
  29   -0.473842E-07    0.319135E+03  0.148477E-09 0.100000E-04    0.388572E+00
  30   -0.137144E-05    0.309378E+03  0.443290E-08 0.100000E-04    0.958416E+00
  31   -0.103659E-05    0.300809E+03  0.344600E-08 0.100000E-04    0.953887E+00
  32   -0.124644E-05    0.290602E+03  0.428918E-08 0.100000E-04    0.967136E+00
  33   -0.155915E-08    0.279014E+03  0.558806E-11 0.109000E-04    0.298341E-01
  34   -0.701470E-07    0.272742E+03  0.257192E-09 0.100000E-04    0.204272E+01
  35    0.104106E-05    0.268541E+03 -0.387672E-08 0.100000E-04    0.967196E+00
  36    0.127055E-05    0.264958E+03 -0.479527E-08 0.100000E-04    0.981464E+00
  37   -0.478742E-06    0.263844E+03  0.181449E-08 0.100000E-04    0.894696E+00
  38   -0.147529E-06    0.253208E+03  0.582638E-09 0.100000E-04    0.979441E+00
  39   -0.396257E-06    0.241577E+03  0.164029E-08 0.100000E-04    0.877359E+00
  40   -0.128210E-05    0.240780E+03  0.532478E-08 0.100000E-04    0.984641E+00
  41   -0.101817E-05    0.234023E+03  0.435073E-08 0.100000E-04    0.992234E+00
  42   -0.171179E-05    0.227524E+03  0.752356E-08 0.100000E-04    0.961671E+00
  43   -0.191254E-07    0.217143E+03  0.880776E-10 0.100000E-04    0.853415E+00
  44   -0.198348E-05    0.214894E+03  0.923003E-08 0.100000E-04    0.966414E+00
  45    0.719874E-06    0.213257E+03 -0.337562E-08 0.100000E-04    0.984086E+00
  46    0.108945E-05    0.207683E+03 -0.524575E-08 0.100000E-04    0.982686E+00
  47   -0.755902E-06    0.202993E+03  0.372378E-08 0.100000E-04    0.964583E+00
  48   -0.118179E-05    0.195422E+03  0.604734E-08 0.100000E-04    0.924744E+00
  49    0.946457E-06    0.194846E+03 -0.485745E-08 0.100000E-04    0.947629E+00
  50    0.122937E-05    0.191369E+03 -0.642409E-08 0.100000E-04    0.876876E+00
  51    0.210715E-06    0.182969E+03 -0.115164E-08 0.100000E-04    0.860393E+00
  52   -0.585983E-06    0.174367E+03  0.336063E-08 0.100000E-04    0.925605E+00
  53    0.123167E-06    0.172340E+03 -0.714677E-09 0.100000E-04    0.741350E+00
  54   -0.231008E-06    0.168219E+03  0.137325E-08 0.100000E-04    0.935539E+00
  55   -0.856146E-06    0.163217E+03  0.524543E-08 0.100000E-04    0.996813E+00
  56    0.136067E-05    0.156871E+03 -0.867383E-08 0.100000E-04    0.970797E+00
  57   -0.339177E-06    0.154918E+03  0.218939E-08 0.100000E-04    0.831938E+00
  58    0.926360E-06    0.152253E+03 -0.608435E-08 0.100000E-04    0.999332E+00
  59   -0.650099E-06    0.146657E+03  0.443277E-08 0.100000E-04    0.996390E+00
  60   -0.171065E-06    0.143342E+03  0.119341E-08 0.100000E-04    0.737974E+00
  61   -0.854821E-06    0.138100E+03  0.618987E-08 0.100000E-04    0.817663E+00
  62    0.947654E-06    0.135873E+03 -0.697455E-08 0.100000E-04    0.967944E+00
  63    0.200253E-05    0.130288E+03 -0.153700E-07 0.100000E-04    0.913813E+00
  64   -0.652979E-07    0.128843E+03  0.506803E-09 0.100000E-04    0.368144E+00
  65    0.124715E-05    0.126901E+03 -0.982770E-08 0.100000E-04    0.882082E+00
  66   -0.616440E-06    0.124059E+03  0.496892E-08 0.100000E-04    0.882322E+00
  67    0.185576E-05    0.120014E+03 -0.154629E-07 0.100000E-04    0.957938E+00
  68    0.439066E-06    0.118169E+03 -0.371556E-08 0.100000E-04    0.927559E+00
  69   -0.149572E-07    0.116832E+03  0.128023E-09 0.109000E-04    0.199810E+00
  70   -0.132957E-05    0.110366E+03  0.120469E-07 0.100000E-04    0.941641E+00
  71   -0.679925E-06    0.106824E+03  0.636491E-08 0.100000E-04    0.914305E+00
  72   -0.108957E-05    0.104456E+03  0.104309E-07 0.100000E-04    0.841488E+00
  73    0.138299E-06    0.102856E+03 -0.134459E-08 0.100000E-04    0.748721E+00
  74    0.837282E-07    0.995115E+02 -0.841392E-09 0.109000E-04    0.188614E+00
  75   -0.241010E-06    0.960877E+02  0.250823E-08 0.100000E-04    0.431069E+00
  76    0.191369E-06    0.941004E+02 -0.203367E-08 0.100000E-04    0.855178E+00
  77   -0.156791E-05    0.919632E+02  0.170493E-07 0.100000E-04    0.957723E+00
  78    0.829333E-06    0.912342E+02 -0.909015E-08 0.100000E-04    0.965577E+00
  79   -0.720751E-06    0.884124E+02  0.815216E-08 0.100000E-04    0.981350E+00
  80   -0.501509E-06    0.856130E+02  0.585786E-08 0.100000E-04    0.911949E+00
  81    0.129340E-05    0.808358E+02 -0.160004E-07 0.100000E-04    0.990416E+00
  82   -0.122395E-05    0.805108E+02  0.152024E-07 0.100000E-04    0.929501E+00
  83    0.294566E-06    0.779538E+02 -0.377872E-08 0.100000E-04    0.756637E+00
  84    0.280629E-06    0.732822E+02 -0.382943E-08 0.100000E-04    0.555328E+00
  85    0.197861E-05    0.725486E+02 -0.272730E-07 0.100000E-04    0.886306E+00
  86    0.532843E-06    0.679136E+02 -0.784590E-08 0.100000E-04    0.839464E+00
  87   -0.796043E-06    0.647475E+02  0.122946E-07 0.100000E-04    0.786994E+00
  88   -0.122973E-05    0.613432E+02  0.200467E-07 0.100000E-04    0.967325E+00
  89    0.202677E-05    0.598336E+02 -0.338734E-07 0.100000E-04    0.941592E+00
  90   -0.220726E-05    0.594018E+02  0.371581E-07 0.100000E-04    0.973969E+00
  91   -0.278735E-05    0.581357E+02  0.479455E-07 0.100000E-04    0.914068E+00
  92    0.354009E-05    0.558713E+02 -0.633614E-07 0.100000E-04    0.944492E+00
  93   -0.329101E-05    0.524444E+02  0.627522E-07 0.100000E-04    0.979641E+00
  94    0.711957E-06    0.520246E+02 -0.136850E-07 0.100000E-04    0.824542E+00
  95   -0.186954E-05    0.502492E+02  0.372053E-07 0.100000E-04    0.879483E+00
  96    0.115475E-05    0.461523E+02 -0.250205E-07 0.100000E-04    0.913112E+00
  97   -0.303220E-05    0.433486E+02  0.699492E-07 0.100000E-04    0.879780E+00
  98   -0.487091E-06    0.409179E+02  0.119041E-07 0.100000E-04    0.648920E+00
  99    0.179880E-05    0.378673E+02 -0.475027E-07 0.100000E-04    0.800766E+00
 100    0.150986E-05    0.362032E+02 -0.417052E-07 0.100000E-04    0.885157E+00
 101   -0.106222E-04    0.322632E+02  0.329237E-06 0.100000E-04    0.935198E+00
 102   -0.123017E-07    0.289064E+02  0.425571E-09 0.109000E-04    0.417385E-01
 103   -0.253881E-05    0.284535E+02  0.892267E-07 0.100000E-04    0.957916E+00
 104   -0.159211E-05    0.263029E+02  0.605296E-07 0.100000E-04    0.727505E+00
 105   -0.599147E-05    0.233315E+02  0.256797E-06 0.100000E-04    0.923407E+00
 106    0.525554E-05    0.213303E+02 -0.246388E-06 0.100000E-04    0.959713E+00
 107   -0.203225E-04    0.198526E+02  0.102367E-05 0.100000E-04    0.915539E+00
 108   -0.229809E-04    0.164543E+02  0.139665E-05 0.100000E-04    0.926516E+00
 109    0.557359E-05    0.139095E+02 -0.400704E-06 0.100000E-04    0.952941E+00
 110   -0.895275E-05    0.122436E+02  0.731220E-06 0.100000E-04    0.845090E+00
 111   -0.793121E-06    0.100893E+02  0.786103E-07 0.100000E-04    0.584073E+00
 112    0.322645E-01    0.908446E+01 -0.100000E-04 0.100000E-04    0.585957E+00
 113    0.967693E-01    0.574976E+01 -0.222942E-04 0.222942E-04    0.156086E+00
 114    0.913528E+00    0.316534E+01  0.100000E-04 0.100000E-04    0.784443E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2229423046E-04    0.2678914845    

 Beginning of optimization cycle  620.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993583195
 potential> RMS force:                                               0.0860929013   |gradient|=.9192206442    
 Eigenvalues of the Hessian matrix:
   746.73101    674.03776    630.72973    600.69136    586.36010    578.89262 
   564.85137    487.44862    460.58980    459.76447    441.65635    429.40162 
   421.89596    407.92086    396.32865    387.44743    370.03686    360.57052 
   349.33445    335.30700    329.31663    321.82676    319.13558    309.37684 
   300.80890    290.60189    279.01586    272.74225    268.54129    264.95849 
   263.84487    253.20747    241.57774    240.78035    234.02360    227.52410 
   217.14380    214.89409    213.25648    207.68313    202.99276    195.42146 
   194.84676    191.36903    182.96976    174.36789    172.34036    168.21966 
   163.21709    156.87093    154.91897    152.25272    146.65673    143.34182 
   138.10038    135.87320    130.28762    128.84290    126.90135    124.05801 
   120.01395    118.16947    116.83168    110.36640    106.82381    104.45669 
   102.85643     99.51144     96.08751     94.10016     91.96282     91.23443 
    88.41183     85.61333     80.83584     80.51153     77.95360     73.28201 
    72.54795     67.91324     64.74700     61.34276     59.83331     59.40192 
    58.13561     55.87111     52.44431     52.02421     50.24980     46.15185 
    43.34917     40.91801     37.86725     36.20282     32.26277     28.90671 
    28.45356     26.30321     23.33145     21.33053     19.85247     16.45422 
    13.90957     12.24361     10.08921      9.08603      5.74995      3.16504 
overlap for current and previous eigenvector    109 is         0.9999999880
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999658
overlap for current and previous eigenvector    112 is         0.9999999288
overlap for current and previous eigenvector    113 is         0.9999999287
overlap for current and previous eigenvector    114 is         0.9999999643
J1,K1,R1,R2,RAT=   7   7    0.3838839891E-02     1.996150584        0.9961505842    
FOB,PFOB,DIAG,PSTEP=   -0.1739825706E-06   -0.1746530392E-06     746.7310071        0.2338914028E-09
J1,K1,R1,R2,RAT=   8   8   -0.4368774942E-01     2.043691948        0.9563122506    
FOB,PFOB,DIAG,PSTEP=   -0.4233175438E-06   -0.4055979206E-06     674.0377639        0.6017423518E-09
J1,K1,R1,R2,RAT=   9   9   -0.4687466771E-01     2.046865029        0.9531253323    
FOB,PFOB,DIAG,PSTEP=   -0.7543717079E-06   -0.7205939435E-06     630.7297287        0.1142482086E-08
J1,K1,R1,R2,RAT=  10  10    -1.174583013         3.174590638        0.1745830129    
FOB,PFOB,DIAG,PSTEP=   -0.4326528051E-07   -0.1989593837E-07     600.6913575        0.3312160607E-10
J1,K1,R1,R2,RAT=  11  11   -0.1458979200         2.145899920        0.8541020800    
FOB,PFOB,DIAG,PSTEP=    0.1785052697E-07    0.1557776564E-07     586.3600979       -0.2656686585E-10
J1,K1,R1,R2,RAT= 109 109   -0.4288778117E-01     2.042879172        0.9571122188    
FOB,PFOB,DIAG,PSTEP=    0.5812633285E-05    0.5573593210E-05     13.90957284       -0.4007036928E-06
J1,K1,R1,R2,RAT= 110 110   -0.1515312159         2.151528061        0.8484687841    
FOB,PFOB,DIAG,PSTEP=   -0.1030937883E-04   -0.8952754860E-05     12.24360602        0.7312199497E-06
J1,K1,R1,R2,RAT= 111 111   -0.7313511372         2.731364833        0.2686488628    
FOB,PFOB,DIAG,PSTEP=   -0.1373166496E-05   -0.7931207242E-06     10.08920634        0.7861027579E-07
J1,K1,R1,R2,RAT= 112 112    0.3835779874         709.8167803        0.6164220126    
FOB,PFOB,DIAG,PSTEP=    0.3222965297E-01    0.3226450498E-01     9.086028922       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7909472713         1510.562178        0.2090527287    
FOB,PFOB,DIAG,PSTEP=    0.9687072516E-01    0.9676933305E-01     5.749950576       -0.2229423046E-04
J1,K1,R1,R2,RAT= 114 114    0.1690997594        -57726.41697        0.8309002406    
FOB,PFOB,DIAG,PSTEP=    0.9135337450        0.9135283929         3.165036449        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03223      0.09687      0.91353 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3821076382
 Log product of positive Hessian eigenvalues =          519.0728712578
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1650364491
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000073
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000165
 Unscaled step for mode   64=        0.0000000012
 Unscaled step for mode   65=       -0.0000000109
 Unscaled step for mode   66=        0.0000000055
 Unscaled step for mode   67=       -0.0000000160
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=        0.0000000126
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=        0.0000000093
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=        0.0000000013
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=       -0.0000000093
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000161
 Unscaled step for mode   83=       -0.0000000032
 Unscaled step for mode   84=       -0.0000000064
 Unscaled step for mode   85=       -0.0000000302
 Unscaled step for mode   86=       -0.0000000091
 Unscaled step for mode   87=        0.0000000150
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000356
 Unscaled step for mode   90=        0.0000000379
 Unscaled step for mode   91=        0.0000000513
 Unscaled step for mode   92=       -0.0000000662
 Unscaled step for mode   93=        0.0000000636
 Unscaled step for mode   94=       -0.0000000119
 Unscaled step for mode   95=        0.0000000416
 Unscaled step for mode   96=       -0.0000000267
 Unscaled step for mode   97=        0.0000000777
 Unscaled step for mode   98=        0.0000000175
 Unscaled step for mode   99=       -0.0000000574
 Unscaled step for mode  100=       -0.0000000461
 Unscaled step for mode  101=        0.0000003466
 Unscaled step for mode  102=        0.0000000082
 Unscaled step for mode  103=        0.0000000925
 Unscaled step for mode  104=        0.0000000507
 Unscaled step for mode  105=        0.0000002736
 Unscaled step for mode  106=       -0.0000002543
 Unscaled step for mode  107=        0.0000010984
 Unscaled step for mode  108=        0.0000014842
 Unscaled step for mode  109=       -0.0000004179
 Unscaled step for mode  110=        0.0000008420
 Unscaled step for mode  111=        0.0000001361
 Unscaled step for mode  112=       -0.0035471214
 Unscaled step for mode  113=       -0.0168424484
 Unscaled step for mode  114=        0.2679152657
 Largest modulus ratio of non-zero e/values=           235.9312504    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.367436E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.177522E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.305366E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.297939E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.274954E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.400634E-14    0.974304E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173983E-06    0.746731E+03  0.232992E-09 0.100000E-04    0.996151E+00
   8   -0.423318E-06    0.674038E+03  0.628032E-09 0.100000E-04    0.956312E+00
   9   -0.754372E-06    0.630730E+03  0.119603E-08 0.100000E-04    0.953125E+00
  10   -0.432653E-07    0.600691E+03  0.720258E-10 0.109000E-04    0.174583E+00
  11    0.178505E-07    0.586360E+03 -0.304429E-10 0.100000E-04    0.854102E+00
  12   -0.107938E-05    0.578893E+03  0.186456E-08 0.100000E-04    0.949179E+00
  13    0.488527E-07    0.564851E+03 -0.864877E-10 0.100000E-04    0.936783E+00
  14    0.455006E-06    0.487449E+03 -0.933444E-09 0.100000E-04    0.938090E+00
  15   -0.453303E-06    0.460590E+03  0.984180E-09 0.100000E-04    0.946470E+00
  16   -0.137223E-06    0.459764E+03  0.298465E-09 0.100000E-04    0.802722E+00
  17   -0.617417E-06    0.441656E+03  0.139796E-08 0.100000E-04    0.913291E+00
  18   -0.435987E-06    0.429402E+03  0.101534E-08 0.100000E-04    0.941121E+00
  19   -0.130043E-06    0.421896E+03  0.308234E-09 0.100000E-04    0.798539E+00
  20   -0.397737E-06    0.407921E+03  0.975035E-09 0.100000E-04    0.930661E+00
  21   -0.450752E-06    0.396329E+03  0.113732E-08 0.100000E-04    0.927095E+00
  22   -0.653727E-06    0.387447E+03  0.168727E-08 0.100000E-04    0.993755E+00
  23    0.853041E-06    0.370037E+03 -0.230529E-08 0.100000E-04    0.930534E+00
  24   -0.445042E-06    0.360571E+03  0.123427E-08 0.100000E-04    0.981278E+00
  25   -0.611058E-07    0.349334E+03  0.174921E-09 0.100000E-04    0.643689E+00
  26   -0.379356E-07    0.335307E+03  0.113137E-09 0.100000E-04    0.444081E+00
  27    0.391017E-06    0.329317E+03 -0.118736E-08 0.100000E-04    0.897086E+00
  28   -0.412740E-06    0.321827E+03  0.128249E-08 0.100000E-04    0.905639E+00
  29   -0.105336E-06    0.319136E+03  0.330065E-09 0.100000E-04    0.223007E+00
  30   -0.141455E-05    0.309377E+03  0.457224E-08 0.100000E-04    0.968571E+00
  31   -0.107679E-05    0.300809E+03  0.357965E-08 0.100000E-04    0.961218E+00
  32   -0.127865E-05    0.290602E+03  0.440000E-08 0.100000E-04    0.974161E+00
  33   -0.428808E-07    0.279016E+03  0.153686E-09 0.100000E-04    0.255025E+02
  34   -0.279558E-07    0.272742E+03  0.102499E-09 0.100000E-04    0.398529E+00
  35    0.106691E-05    0.268541E+03 -0.397297E-08 0.100000E-04    0.975172E+00
  36    0.128844E-05    0.264958E+03 -0.486279E-08 0.100000E-04    0.985919E+00
  37   -0.525723E-06    0.263845E+03  0.199255E-08 0.100000E-04    0.901865E+00
  38   -0.144720E-06    0.253207E+03  0.571545E-09 0.100000E-04    0.980960E+00
  39   -0.362836E-06    0.241578E+03  0.150194E-08 0.100000E-04    0.915656E+00
  40   -0.129649E-05    0.240780E+03  0.538455E-08 0.100000E-04    0.988774E+00
  41   -0.101195E-05    0.234024E+03  0.432414E-08 0.100000E-04    0.993886E+00
  42   -0.176193E-05    0.227524E+03  0.774393E-08 0.100000E-04    0.970708E+00
  43   -0.203341E-07    0.217144E+03  0.936437E-10 0.100000E-04    0.936801E+00
  44   -0.203784E-05    0.214894E+03  0.948300E-08 0.100000E-04    0.972593E+00
  45    0.708306E-06    0.213256E+03 -0.332138E-08 0.100000E-04    0.983930E+00
  46    0.110636E-05    0.207683E+03 -0.532715E-08 0.100000E-04    0.984481E+00
  47   -0.778949E-06    0.202993E+03  0.383733E-08 0.100000E-04    0.969511E+00
  48   -0.125701E-05    0.195421E+03  0.643231E-08 0.100000E-04    0.936345E+00
  49    0.990336E-06    0.194847E+03 -0.508264E-08 0.100000E-04    0.953639E+00
  50    0.136951E-05    0.191369E+03 -0.715640E-08 0.100000E-04    0.886003E+00
  51    0.238220E-06    0.182970E+03 -0.130196E-08 0.100000E-04    0.869469E+00
  52   -0.622937E-06    0.174368E+03  0.357254E-08 0.100000E-04    0.936937E+00
  53    0.103025E-06    0.172340E+03 -0.597800E-09 0.100000E-04    0.836461E+00
  54   -0.218587E-06    0.168220E+03  0.129941E-08 0.100000E-04    0.946228E+00
  55   -0.849362E-06    0.163217E+03  0.520388E-08 0.100000E-04    0.992076E+00
  56    0.139371E-05    0.156871E+03 -0.888441E-08 0.100000E-04    0.975724E+00
  57   -0.397795E-06    0.154919E+03  0.256776E-08 0.100000E-04    0.827178E+00
  58    0.923593E-06    0.152253E+03 -0.606619E-08 0.100000E-04    0.997014E+00
  59   -0.649749E-06    0.146657E+03  0.443041E-08 0.100000E-04    0.999462E+00
  60   -0.223030E-06    0.143342E+03  0.155593E-08 0.100000E-04    0.696228E+00
  61   -0.101238E-05    0.138100E+03  0.733074E-08 0.100000E-04    0.815685E+00
  62    0.971114E-06    0.135873E+03 -0.714721E-08 0.100000E-04    0.975245E+00
  63    0.215459E-05    0.130288E+03 -0.165371E-07 0.100000E-04    0.924066E+00
  64   -0.156166E-06    0.128843E+03  0.121206E-08 0.100000E-04    0.391591E+00
  65    0.138619E-05    0.126901E+03 -0.109233E-07 0.100000E-04    0.888513E+00
  66   -0.686399E-06    0.124058E+03  0.553289E-08 0.100000E-04    0.886509E+00
  67    0.192026E-05    0.120014E+03 -0.160003E-07 0.100000E-04    0.965244E+00
  68    0.467101E-06    0.118169E+03 -0.395281E-08 0.100000E-04    0.936148E+00
  69   -0.683186E-07    0.116832E+03  0.584761E-09 0.100000E-04    0.256764E+01
  70   -0.139609E-05    0.110366E+03  0.126496E-07 0.100000E-04    0.949967E+00
  71   -0.732697E-06    0.106824E+03  0.685893E-08 0.100000E-04    0.922386E+00
  72   -0.966453E-06    0.104457E+03  0.925219E-08 0.100000E-04    0.887001E+00
  73    0.176163E-06    0.102856E+03 -0.171271E-08 0.100000E-04    0.726221E+00
  74    0.439229E-07    0.995114E+02 -0.441385E-09 0.100000E-04    0.524588E+00
  75   -0.120582E-06    0.960875E+02  0.125492E-08 0.100000E-04    0.500318E+00
  76    0.216516E-06    0.941002E+02 -0.230091E-08 0.100000E-04    0.868597E+00
  77   -0.151214E-05    0.919628E+02  0.164429E-07 0.100000E-04    0.964429E+00
  78    0.849868E-06    0.912344E+02 -0.931522E-08 0.100000E-04    0.975239E+00
  79   -0.729141E-06    0.884118E+02  0.824709E-08 0.100000E-04    0.988360E+00
  80   -0.542882E-06    0.856133E+02  0.634109E-08 0.100000E-04    0.917503E+00
  81    0.130017E-05    0.808358E+02 -0.160840E-07 0.100000E-04    0.994769E+00
  82   -0.129918E-05    0.805115E+02  0.161366E-07 0.100000E-04    0.938538E+00
  83    0.245888E-06    0.779536E+02 -0.315428E-08 0.100000E-04    0.834747E+00
  84    0.465947E-06    0.732820E+02 -0.635827E-08 0.100000E-04    0.339630E+00
  85    0.219319E-05    0.725480E+02 -0.302308E-07 0.100000E-04    0.891554E+00
  86    0.615062E-06    0.679132E+02 -0.905658E-08 0.100000E-04    0.845698E+00
  87   -0.969162E-06    0.647470E+02  0.149685E-07 0.100000E-04    0.782524E+00
  88   -0.119012E-05    0.613428E+02  0.194012E-07 0.100000E-04    0.967789E+00
  89    0.213168E-05    0.598333E+02 -0.356269E-07 0.100000E-04    0.948238E+00
  90   -0.225114E-05    0.594019E+02  0.378968E-07 0.100000E-04    0.980116E+00
  91   -0.298096E-05    0.581356E+02  0.512760E-07 0.100000E-04    0.930537E+00
  92    0.370073E-05    0.558711E+02 -0.662370E-07 0.100000E-04    0.954621E+00
  93   -0.333500E-05    0.524443E+02  0.635912E-07 0.100000E-04    0.986633E+00
  94    0.616906E-06    0.520242E+02 -0.118580E-07 0.100000E-04    0.866491E+00
  95   -0.208904E-05    0.502498E+02  0.415730E-07 0.100000E-04    0.882593E+00
  96    0.123227E-05    0.461518E+02 -0.267004E-07 0.100000E-04    0.932867E+00
  97   -0.336985E-05    0.433492E+02  0.777375E-07 0.100000E-04    0.888645E+00
  98   -0.714816E-06    0.409180E+02  0.174695E-07 0.100000E-04    0.532482E+00
  99    0.217271E-05    0.378672E+02 -0.573770E-07 0.100000E-04    0.792132E+00
 100    0.167052E-05    0.362028E+02 -0.461433E-07 0.100000E-04    0.893594E+00
 101   -0.111832E-04    0.322628E+02  0.346629E-06 0.100000E-04    0.947187E+00
 102   -0.237643E-06    0.289067E+02  0.822104E-08 0.100000E-04    0.173177E+02
 103   -0.263203E-05    0.284536E+02  0.925025E-07 0.100000E-04    0.963284E+00
 104   -0.133461E-05    0.263032E+02  0.507394E-07 0.100000E-04    0.838247E+00
 105   -0.638414E-05    0.233315E+02  0.273628E-06 0.100000E-04    0.934460E+00
 106    0.542402E-05    0.213305E+02 -0.254285E-06 0.100000E-04    0.967942E+00
 107   -0.218055E-04    0.198525E+02  0.109838E-05 0.100000E-04    0.927022E+00
 108   -0.244210E-04    0.164542E+02  0.148418E-05 0.100000E-04    0.937335E+00
 109    0.581263E-05    0.139096E+02 -0.417887E-06 0.100000E-04    0.957112E+00
 110   -0.103094E-04    0.122436E+02  0.842021E-06 0.100000E-04    0.848469E+00
 111   -0.137317E-05    0.100892E+02  0.136103E-06 0.100000E-04    0.268649E+00
 112    0.322297E-01    0.908603E+01 -0.100000E-04 0.100000E-04    0.616422E+00
 113    0.968707E-01    0.574995E+01 -0.200849E-04 0.200849E-04    0.209053E+00
 114    0.913534E+00    0.316504E+01  0.100000E-04 0.100000E-04    0.830900E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2008489231E-04    0.2679152657    

 Beginning of optimization cycle  621.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993514503
 potential> RMS force:                                               0.0860944092   |gradient|=.9192367438    
 Eigenvalues of the Hessian matrix:
   746.73483    674.03658    630.73264    600.68905    586.35959    578.89283 
   564.84749    487.44833    460.58851    459.76393    441.65579    429.40281 
   421.89535    407.91928    396.32810    387.44601    370.03732    360.57066 
   349.33369    335.30762    329.31748    321.82656    319.13616    309.37570 
   300.80828    290.60194    279.01726    272.74270    268.54149    264.95881 
   263.84542    253.20685    241.57798    240.78075    234.02433    227.52438 
   217.14447    214.89424    213.25620    207.68360    202.99236    195.42066 
   194.84710    191.36949    182.97046    174.36860    172.34059    168.21992 
   163.21678    156.87071    154.91947    152.25254    146.65615    143.34144 
   138.10088    135.87319    130.28739    128.84310    126.90156    124.05693 
   120.01413    118.16961    116.83128    110.36663    106.82366    104.45693 
   102.85651     99.51138     96.08732     94.09995     91.96241     91.23463 
    88.41133     85.61362     80.83591     80.51218     77.95339     73.28183 
    72.54741     67.91297     64.74656     61.34230     59.83307     59.40203 
    58.13558     55.87090     52.44422     52.02385     50.25037     46.15145 
    43.34972     40.91812     37.86722     36.20253     32.26240     28.90704 
    28.45362     26.30347     23.33135     21.33078     19.85236     16.45413 
    13.90963     12.24363     10.08914      9.08750      5.75012      3.16474 
overlap for current and previous eigenvector    109 is         0.9999999896
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999714
overlap for current and previous eigenvector    112 is         0.9999999387
overlap for current and previous eigenvector    113 is         0.9999999373
overlap for current and previous eigenvector    114 is         0.9999999691
J1,K1,R1,R2,RAT=   7   7   -0.1106274467E-01     2.011052493        0.9889372553    
FOB,PFOB,DIAG,PSTEP=   -0.1759073052E-06   -0.1739825706E-06     746.7348346        0.2329922943E-09
J1,K1,R1,R2,RAT=   8   8    0.5014323180E-01     1.949860274        0.9498567682    
FOB,PFOB,DIAG,PSTEP=   -0.4020910713E-06   -0.4233175438E-06     674.0365823        0.6280323840E-09
J1,K1,R1,R2,RAT=   9   9    0.5433184374E-01     1.945658910        0.9456589100    
FOB,PFOB,DIAG,PSTEP=   -0.7133851127E-06   -0.7543717079E-06     630.7326447        0.1196030048E-08
J1,K1,R1,R2,RAT=  10  10    0.6249803517         1.375027320        0.3750196483    
FOB,PFOB,DIAG,PSTEP=   -0.1622543400E-07   -0.4326528051E-07     600.6890535        0.7202580820E-10
J1,K1,R1,R2,RAT=  11  11    0.2178659288         1.782135799        0.7821340712    
FOB,PFOB,DIAG,PSTEP=    0.1396150869E-07    0.1785052697E-07     586.3595914       -0.3044294289E-10
J1,K1,R1,R2,RAT= 109 109    0.4631581945E-01     1.953675742        0.9536757419    
FOB,PFOB,DIAG,PSTEP=    0.5543415275E-05    0.5812633285E-05     13.90963153       -0.4178872602E-06
J1,K1,R1,R2,RAT= 110 110    0.1563654622         1.843631294        0.8436312938    
FOB,PFOB,DIAG,PSTEP=   -0.8697345429E-05   -0.1030937883E-04     12.24362588        0.8420214444E-06
J1,K1,R1,R2,RAT= 111 111    0.4067912681         1.593222819        0.5932087319    
FOB,PFOB,DIAG,PSTEP=   -0.8145782901E-06   -0.1373166496E-05     10.08913528        0.1361025287E-06
J1,K1,R1,R2,RAT= 112 112    0.4205915202         708.8978747        0.5794084798    
FOB,PFOB,DIAG,PSTEP=    0.3219143172E-01    0.3222965297E-01     9.087498636       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8488847165         1678.401488        0.1511152835    
FOB,PFOB,DIAG,PSTEP=    0.9696876331E-01    0.9687072516E-01     5.750119781       -0.2008489231E-04
J1,K1,R1,R2,RAT= 114 114    0.2258171240        -57732.17800        0.7741828760    
FOB,PFOB,DIAG,PSTEP=    0.9135408915        0.9135337450         3.164742263        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03219      0.09697      0.91354 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3820855860
 Log product of positive Hessian eigenvalues =          519.0729426435
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1647422627
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000060
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=       -0.0000000151
 Unscaled step for mode   64=        0.0000000004
 Unscaled step for mode   65=       -0.0000000096
 Unscaled step for mode   66=        0.0000000049
 Unscaled step for mode   67=       -0.0000000153
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000119
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=        0.0000000107
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000027
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000171
 Unscaled step for mode   78=        0.0000000090
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000058
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000150
 Unscaled step for mode   83=       -0.0000000039
 Unscaled step for mode   84=       -0.0000000033
 Unscaled step for mode   85=       -0.0000000268
 Unscaled step for mode   86=       -0.0000000076
 Unscaled step for mode   87=        0.0000000117
 Unscaled step for mode   88=        0.0000000200
 Unscaled step for mode   89=       -0.0000000336
 Unscaled step for mode   90=        0.0000000369
 Unscaled step for mode   91=        0.0000000469
 Unscaled step for mode   92=       -0.0000000626
 Unscaled step for mode   93=        0.0000000623
 Unscaled step for mode   94=       -0.0000000139
 Unscaled step for mode   95=        0.0000000366
 Unscaled step for mode   96=       -0.0000000244
 Unscaled step for mode   97=        0.0000000684
 Unscaled step for mode   98=        0.0000000111
 Unscaled step for mode   99=       -0.0000000458
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=        0.0000003242
 Unscaled step for mode  102=       -0.0000000014
 Unscaled step for mode  103=        0.0000000887
 Unscaled step for mode  104=        0.0000000635
 Unscaled step for mode  105=        0.0000002527
 Unscaled step for mode  106=       -0.0000002442
 Unscaled step for mode  107=        0.0000010056
 Unscaled step for mode  108=        0.0000013754
 Unscaled step for mode  109=       -0.0000003985
 Unscaled step for mode  110=        0.0000007104
 Unscaled step for mode  111=        0.0000000807
 Unscaled step for mode  112=       -0.0035423420
 Unscaled step for mode  113=       -0.0168589883
 Unscaled step for mode  114=        0.2679386495
 Largest modulus ratio of non-zero e/values=           235.9543914    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.644450E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.167439E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.894358E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.107999E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.130793E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.384028E-14    0.974305E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175907E-06    0.746735E+03  0.235569E-09 0.100000E-04    0.988937E+00
   8   -0.402091E-06    0.674037E+03  0.596542E-09 0.100000E-04    0.949857E+00
   9   -0.713385E-06    0.630733E+03  0.113104E-08 0.100000E-04    0.945659E+00
  10   -0.162254E-07    0.600689E+03  0.270114E-10 0.100000E-04    0.375020E+00
  11    0.139615E-07    0.586360E+03 -0.238105E-10 0.100000E-04    0.782134E+00
  12   -0.101726E-05    0.578893E+03  0.175725E-08 0.100000E-04    0.942443E+00
  13    0.524841E-07    0.564847E+03 -0.929172E-10 0.100000E-04    0.925666E+00
  14    0.424397E-06    0.487448E+03 -0.870651E-09 0.100000E-04    0.932729E+00
  15   -0.425405E-06    0.460589E+03  0.923612E-09 0.100000E-04    0.938455E+00
  16   -0.110270E-06    0.459764E+03  0.239840E-09 0.100000E-04    0.803579E+00
  17   -0.559618E-06    0.441656E+03  0.126709E-08 0.100000E-04    0.906386E+00
  18   -0.406331E-06    0.429403E+03  0.946271E-09 0.100000E-04    0.931975E+00
  19   -0.168496E-06    0.421895E+03  0.399379E-09 0.100000E-04    0.704298E+00
  20   -0.366773E-06    0.407919E+03  0.899132E-09 0.100000E-04    0.922150E+00
  21   -0.414222E-06    0.396328E+03  0.104515E-08 0.100000E-04    0.918958E+00
  22   -0.647032E-06    0.387446E+03  0.166999E-08 0.100000E-04    0.989758E+00
  23    0.787276E-06    0.370037E+03 -0.212756E-08 0.100000E-04    0.922903E+00
  24   -0.434809E-06    0.360571E+03  0.120589E-08 0.100000E-04    0.977006E+00
  25   -0.100135E-06    0.349334E+03  0.286645E-09 0.100000E-04    0.361287E+00
  26   -0.960740E-07    0.335308E+03  0.286525E-09 0.100000E-04    0.532555E+00
  27    0.346221E-06    0.329317E+03 -0.105133E-08 0.100000E-04    0.885433E+00
  28   -0.368715E-06    0.321827E+03  0.114570E-08 0.100000E-04    0.893336E+00
  29   -0.319986E-07    0.319136E+03  0.100266E-09 0.100000E-04    0.303775E+00
  30   -0.135614E-05    0.309376E+03  0.438347E-08 0.100000E-04    0.958709E+00
  31   -0.102763E-05    0.300808E+03  0.341623E-08 0.100000E-04    0.954346E+00
  32   -0.123712E-05    0.290602E+03  0.425708E-08 0.100000E-04    0.967518E+00
  33    0.699449E-08    0.279017E+03 -0.250683E-10 0.109000E-04    0.163109E+00
  34   -0.799167E-07    0.272743E+03  0.293011E-09 0.100000E-04    0.858676E+00
  35    0.103230E-05    0.268541E+03 -0.384409E-08 0.100000E-04    0.967559E+00
  36    0.126501E-05    0.264959E+03 -0.477438E-08 0.100000E-04    0.981818E+00
  37   -0.470384E-06    0.263845E+03  0.178280E-08 0.100000E-04    0.894732E+00
  38   -0.147683E-06    0.253207E+03  0.583251E-09 0.100000E-04    0.979521E+00
  39   -0.405419E-06    0.241578E+03  0.167821E-08 0.100000E-04    0.882640E+00
  40   -0.127695E-05    0.240781E+03  0.530335E-08 0.100000E-04    0.984919E+00
  41   -0.101978E-05    0.234024E+03  0.435760E-08 0.100000E-04    0.992259E+00
  42   -0.169504E-05    0.227524E+03  0.744992E-08 0.100000E-04    0.962032E+00
  43   -0.171429E-07    0.217144E+03  0.789470E-10 0.100000E-04    0.843054E+00
  44   -0.197032E-05    0.214894E+03  0.916880E-08 0.100000E-04    0.966866E+00
  45    0.719454E-06    0.213256E+03 -0.337366E-08 0.100000E-04    0.984262E+00
  46    0.108761E-05    0.207684E+03 -0.523684E-08 0.100000E-04    0.983045E+00
  47   -0.751762E-06    0.202992E+03  0.370340E-08 0.100000E-04    0.965097E+00
  48   -0.116252E-05    0.195421E+03  0.594882E-08 0.100000E-04    0.924829E+00
  49    0.938945E-06    0.194847E+03 -0.481888E-08 0.100000E-04    0.948104E+00
  50    0.120006E-05    0.191369E+03 -0.627088E-08 0.100000E-04    0.876260E+00
  51    0.204621E-06    0.182970E+03 -0.111833E-08 0.100000E-04    0.858953E+00
  52   -0.576671E-06    0.174369E+03  0.330720E-08 0.100000E-04    0.925722E+00
  53    0.127858E-06    0.172341E+03 -0.741891E-09 0.100000E-04    0.758963E+00
  54   -0.232351E-06    0.168220E+03  0.138123E-08 0.100000E-04    0.937032E+00
  55   -0.852176E-06    0.163217E+03  0.522113E-08 0.100000E-04    0.996687E+00
  56    0.135362E-05    0.156871E+03 -0.862889E-08 0.100000E-04    0.971238E+00
  57   -0.330512E-06    0.154919E+03  0.213345E-08 0.100000E-04    0.830856E+00
  58    0.923056E-06    0.152253E+03 -0.606266E-08 0.100000E-04    0.999418E+00
  59   -0.647534E-06    0.146656E+03  0.441532E-08 0.100000E-04    0.996591E+00
  60   -0.163348E-06    0.143341E+03  0.113957E-08 0.100000E-04    0.732400E+00
  61   -0.825119E-06    0.138101E+03  0.597475E-08 0.100000E-04    0.815024E+00
  62    0.940317E-06    0.135873E+03 -0.692055E-08 0.100000E-04    0.968287E+00
  63    0.196901E-05    0.130287E+03 -0.151128E-07 0.100000E-04    0.913870E+00
  64   -0.458838E-07    0.128843E+03  0.356122E-09 0.100000E-04    0.293812E+00
  65    0.122252E-05    0.126902E+03 -0.963361E-08 0.100000E-04    0.881927E+00
  66   -0.605561E-06    0.124057E+03  0.488132E-08 0.100000E-04    0.882228E+00
  67    0.184039E-05    0.120014E+03 -0.153347E-07 0.100000E-04    0.958402E+00
  68    0.433464E-06    0.118170E+03 -0.366815E-08 0.100000E-04    0.927985E+00
  69   -0.948600E-08    0.116831E+03  0.811940E-10 0.109000E-04    0.138847E+00
  70   -0.131529E-05    0.110367E+03  0.119175E-07 0.100000E-04    0.942120E+00
  71   -0.669960E-06    0.106824E+03  0.627164E-08 0.100000E-04    0.914375E+00
  72   -0.111314E-05    0.104457E+03  0.106564E-07 0.100000E-04    0.848227E+00
  73    0.130669E-06    0.102857E+03 -0.127040E-08 0.100000E-04    0.741749E+00
  74    0.885580E-07    0.995114E+02 -0.889928E-09 0.109000E-04    0.162162E-01
  75   -0.260094E-06    0.960873E+02  0.270685E-08 0.109000E-04    0.156992E+00
  76    0.184856E-06    0.940999E+02 -0.196446E-08 0.100000E-04    0.853775E+00
  77    0.157477E-05    0.919624E+02 -0.171240E-07 0.100000E-04    0.958582E+00
  78   -0.820887E-06    0.912346E+02  0.899754E-08 0.100000E-04    0.965895E+00
  79   -0.715654E-06    0.884113E+02  0.809460E-08 0.100000E-04    0.981504E+00
  80   -0.495205E-06    0.856136E+02  0.578418E-08 0.100000E-04    0.912171E+00
  81    0.128800E-05    0.808359E+02 -0.159335E-07 0.100000E-04    0.990641E+00
  82   -0.120802E-05    0.805122E+02  0.150042E-07 0.100000E-04    0.929817E+00
  83    0.302776E-06    0.779534E+02 -0.388407E-08 0.100000E-04    0.768640E+00
  84    0.245283E-06    0.732818E+02 -0.334712E-08 0.100000E-04    0.526417E+00
  85    0.194375E-05    0.725474E+02 -0.267928E-07 0.100000E-04    0.886265E+00
  86    0.515046E-06    0.679130E+02 -0.758392E-08 0.100000E-04    0.837389E+00
  87   -0.757307E-06    0.647466E+02  0.116965E-07 0.100000E-04    0.781402E+00
  88   -0.122877E-05    0.613423E+02  0.200313E-07 0.100000E-04    0.967527E+00
  89    0.200856E-05    0.598331E+02 -0.335694E-07 0.100000E-04    0.942246E+00
  90   -0.219315E-05    0.594020E+02  0.369204E-07 0.100000E-04    0.974233E+00
  91   -0.272393E-05    0.581356E+02  0.468547E-07 0.100000E-04    0.913774E+00
  92    0.349629E-05    0.558709E+02 -0.625780E-07 0.100000E-04    0.944756E+00
  93   -0.326798E-05    0.524442E+02  0.623135E-07 0.100000E-04    0.979906E+00
  94    0.721575E-06    0.520239E+02 -0.138701E-07 0.100000E-04    0.830331E+00
  95   -0.183743E-05    0.502504E+02  0.365655E-07 0.100000E-04    0.879536E+00
  96    0.112451E-05    0.461514E+02 -0.243657E-07 0.100000E-04    0.912550E+00
  97   -0.296336E-05    0.433497E+02  0.683593E-07 0.100000E-04    0.879348E+00
  98   -0.455752E-06    0.409181E+02  0.111381E-07 0.100000E-04    0.637575E+00
  99    0.173290E-05    0.378672E+02 -0.457625E-07 0.100000E-04    0.797575E+00
 100    0.147813E-05    0.362025E+02 -0.408294E-07 0.100000E-04    0.884831E+00
 101   -0.104605E-04    0.322624E+02  0.324231E-06 0.100000E-04    0.935373E+00
 102    0.401487E-07    0.289070E+02 -0.138889E-08 0.109000E-04    0.168932E+00
 103   -0.252266E-05    0.284536E+02  0.886588E-07 0.100000E-04    0.958445E+00
 104   -0.167105E-05    0.263035E+02  0.635297E-07 0.100000E-04    0.747911E+00
 105   -0.589576E-05    0.233313E+02  0.252697E-06 0.100000E-04    0.923499E+00
 106    0.520852E-05    0.213308E+02 -0.244179E-06 0.100000E-04    0.960246E+00
 107   -0.199634E-04    0.198524E+02  0.100559E-05 0.100000E-04    0.915521E+00
 108   -0.226303E-04    0.164541E+02  0.137536E-05 0.100000E-04    0.926674E+00
 109    0.554342E-05    0.139096E+02 -0.398531E-06 0.100000E-04    0.953676E+00
 110   -0.869735E-05    0.122436E+02  0.710357E-06 0.100000E-04    0.843631E+00
 111   -0.814578E-06    0.100891E+02  0.807382E-07 0.100000E-04    0.593209E+00
 112    0.321914E-01    0.908750E+01 -0.100000E-04 0.100000E-04    0.579408E+00
 113    0.969688E-01    0.575012E+01 -0.218925E-04 0.218925E-04    0.151115E+00
 114    0.913541E+00    0.316474E+01  0.100000E-04 0.100000E-04    0.774183E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2189253262E-04    0.2679386495    

 Beginning of optimization cycle  622.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993447578
 potential> RMS force:                                               0.0860958132   |gradient|=.9192517349    
 Eigenvalues of the Hessian matrix:
   746.73875    674.03520    630.73565    600.68677    586.35902    578.89304 
   564.84338    487.44794    460.58718    459.76338    441.65519    429.40415 
   421.89472    407.91761    396.32752    387.44456    370.03780    360.57084 
   349.33297    335.30827    329.31838    321.82629    319.13686    309.37453 
   300.80771    290.60201    279.01877    272.74316    268.54176    264.95914 
   263.84607    253.20626    241.57831    240.78116    234.02514    227.52472 
   217.14522    214.89438    213.25591    207.68411    202.99194    195.41984 
   194.84749    191.36996    182.97121    174.36935    172.34084    168.22020 
   163.21645    156.87049    154.91999    152.25236    146.65554    143.34103 
   138.10141    135.87319    130.28712    128.84332    126.90176    124.05579 
   120.01431    118.16974    116.83084    110.36688    106.82349    104.45716 
   102.85658     99.51130     96.08712     94.09972     91.96200     91.23486 
    88.41081     85.61393     80.83599     80.51287     77.95317     73.28160 
    72.54682     67.91266     64.74610     61.34184     59.83282     59.40212 
    58.13553     55.87067     52.44411     52.02347     50.25097     46.15101 
    43.35030     40.91824     37.86717     36.20216     32.26202     28.90737 
    28.45368     26.30376     23.33126     21.33102     19.85227     16.45402 
    13.90969     12.24365     10.08907      9.08905      5.75031      3.16444 
overlap for current and previous eigenvector    109 is         0.9999999882
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999664
overlap for current and previous eigenvector    112 is         0.9999999303
overlap for current and previous eigenvector    113 is         0.9999999306
overlap for current and previous eigenvector    114 is         0.9999999654
J1,K1,R1,R2,RAT=   7   7    0.3825033923E-02     1.996164489        0.9961644895    
FOB,PFOB,DIAG,PSTEP=   -0.1752344503E-06   -0.1759073052E-06     746.7387463        0.2355686343E-09
J1,K1,R1,R2,RAT=   8   8   -0.4328381826E-01     2.043287927        0.9567161817    
FOB,PFOB,DIAG,PSTEP=   -0.4194950724E-06   -0.4020910713E-06     674.0351977        0.5965419116E-09
J1,K1,R1,R2,RAT=   9   9   -0.4644616103E-01     2.046436619        0.9535538390    
FOB,PFOB,DIAG,PSTEP=   -0.7465192706E-06   -0.7133851127E-06     630.7356539        0.1131042001E-08
J1,K1,R1,R2,RAT=  10  10    -1.416223257         3.416230862        0.4162232575    
FOB,PFOB,DIAG,PSTEP=   -0.3920418362E-07   -0.1622543400E-07     600.6867696        0.2701136953E-10
J1,K1,R1,R2,RAT=  11  11   -0.1577245560         2.157726504        0.8422754440    
FOB,PFOB,DIAG,PSTEP=    0.1616357931E-07    0.1396150869E-07     586.3590204       -0.2381048916E-10
J1,K1,R1,R2,RAT= 109 109   -0.4218123685E-01     2.042172620        0.9578187631    
FOB,PFOB,DIAG,PSTEP=    0.5777244395E-05    0.5543415275E-05     13.90969145       -0.3985307061E-06
J1,K1,R1,R2,RAT= 110 110   -0.1532101051         2.153206849        0.8467898949    
FOB,PFOB,DIAG,PSTEP=   -0.1002986881E-04   -0.8697345429E-05     12.24364582        0.7103570064E-06
J1,K1,R1,R2,RAT= 111 111   -0.7029050904         2.702918684        0.2970949096    
FOB,PFOB,DIAG,PSTEP=   -0.1387145625E-05   -0.8145782901E-06     10.08906671        0.8073816710E-07
J1,K1,R1,R2,RAT= 112 112    0.3907090909         707.9656102        0.6092909091    
FOB,PFOB,DIAG,PSTEP=    0.3215591998E-01    0.3219143172E-01     9.089050481       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7954337710         1541.342267        0.2045662290    
FOB,PFOB,DIAG,PSTEP=    0.9706889948E-01    0.9696876331E-01     5.750305807       -0.2189253262E-04
J1,K1,R1,R2,RAT= 114 114    0.1801499953        -57738.13589        0.8198500047    
FOB,PFOB,DIAG,PSTEP=    0.9135465922        0.9135408915         3.164437950        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03216      0.09707      0.91355 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3820649482
 Log product of positive Hessian eigenvalues =          519.0730189746
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1644379500
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=        0.0000000071
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000163
 Unscaled step for mode   64=        0.0000000010
 Unscaled step for mode   65=       -0.0000000107
 Unscaled step for mode   66=        0.0000000054
 Unscaled step for mode   67=       -0.0000000159
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=        0.0000000125
 Unscaled step for mode   71=        0.0000000068
 Unscaled step for mode   72=        0.0000000095
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000015
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=        0.0000000092
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000159
 Unscaled step for mode   83=       -0.0000000033
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000297
 Unscaled step for mode   86=       -0.0000000088
 Unscaled step for mode   87=        0.0000000143
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000353
 Unscaled step for mode   90=        0.0000000376
 Unscaled step for mode   91=        0.0000000501
 Unscaled step for mode   92=       -0.0000000654
 Unscaled step for mode   93=        0.0000000631
 Unscaled step for mode   94=       -0.0000000121
 Unscaled step for mode   95=        0.0000000409
 Unscaled step for mode   96=       -0.0000000260
 Unscaled step for mode   97=        0.0000000760
 Unscaled step for mode   98=        0.0000000166
 Unscaled step for mode   99=       -0.0000000555
 Unscaled step for mode  100=       -0.0000000452
 Unscaled step for mode  101=        0.0000003413
 Unscaled step for mode  102=        0.0000000063
 Unscaled step for mode  103=        0.0000000919
 Unscaled step for mode  104=        0.0000000539
 Unscaled step for mode  105=        0.0000002692
 Unscaled step for mode  106=       -0.0000002519
 Unscaled step for mode  107=        0.0000010790
 Unscaled step for mode  108=        0.0000014613
 Unscaled step for mode  109=       -0.0000004153
 Unscaled step for mode  110=        0.0000008192
 Unscaled step for mode  111=        0.0000001375
 Unscaled step for mode  112=       -0.0035378302
 Unscaled step for mode  113=       -0.0168758424
 Unscaled step for mode  114=        0.2679624120
 Largest modulus ratio of non-zero e/values=           235.9783184    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.303577E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.152108E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.344871E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.107596E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.148712E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.322379E-14    0.974305E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175234E-06    0.746739E+03  0.234666E-09 0.100000E-04    0.996164E+00
   8   -0.419495E-06    0.674035E+03  0.622364E-09 0.100000E-04    0.956716E+00
   9   -0.746519E-06    0.630736E+03  0.118357E-08 0.100000E-04    0.953554E+00
  10   -0.392042E-07    0.600687E+03  0.652656E-10 0.100000E-04    0.416223E+00
  11    0.161636E-07    0.586359E+03 -0.275660E-10 0.100000E-04    0.842275E+00
  12   -0.106848E-05    0.578893E+03  0.184573E-08 0.100000E-04    0.949644E+00
  13    0.492354E-07    0.564843E+03 -0.871665E-10 0.100000E-04    0.938101E+00
  14    0.450431E-06    0.487448E+03 -0.924060E-09 0.100000E-04    0.938657E+00
  15   -0.448019E-06    0.460587E+03  0.972714E-09 0.100000E-04    0.946840E+00
  16   -0.132483E-06    0.459763E+03  0.288156E-09 0.100000E-04    0.798552E+00
  17   -0.607996E-06    0.441655E+03  0.137663E-08 0.100000E-04    0.913551E+00
  18   -0.430127E-06    0.429404E+03  0.100168E-08 0.100000E-04    0.941438E+00
  19   -0.136231E-06    0.421895E+03  0.322902E-09 0.100000E-04    0.808508E+00
  20   -0.392079E-06    0.407918E+03  0.961173E-09 0.100000E-04    0.931003E+00
  21   -0.444303E-06    0.396328E+03  0.112105E-08 0.100000E-04    0.927380E+00
  22   -0.650969E-06    0.387445E+03  0.168016E-08 0.100000E-04    0.993915E+00
  23    0.841665E-06    0.370038E+03 -0.227454E-08 0.100000E-04    0.930915E+00
  24   -0.442797E-06    0.360571E+03  0.122804E-08 0.100000E-04    0.981629E+00
  25   -0.668845E-07    0.349333E+03  0.191463E-09 0.100000E-04    0.667944E+00
  26   -0.493558E-07    0.335308E+03  0.147195E-09 0.100000E-04    0.513724E+00
  27    0.382052E-06    0.329318E+03 -0.116013E-08 0.100000E-04    0.896509E+00
  28   -0.403672E-06    0.321826E+03  0.125432E-08 0.100000E-04    0.905193E+00
  29   -0.889864E-07    0.319137E+03  0.278835E-09 0.100000E-04    0.780944E+00
  30   -0.139845E-05    0.309375E+03  0.452024E-08 0.100000E-04    0.968802E+00
  31   -0.106708E-05    0.300808E+03  0.354737E-08 0.100000E-04    0.961615E+00
  32   -0.126870E-05    0.290602E+03  0.436577E-08 0.100000E-04    0.974468E+00
  33   -0.336522E-07    0.279019E+03  0.120609E-09 0.100000E-04    0.281122E+01
  34   -0.384068E-07    0.272743E+03  0.140817E-09 0.100000E-04    0.480584E+00
  35    0.105764E-05    0.268542E+03 -0.393845E-08 0.100000E-04    0.975451E+00
  36    0.128249E-05    0.264959E+03 -0.484032E-08 0.100000E-04    0.986186E+00
  37   -0.516529E-06    0.263846E+03  0.195769E-08 0.100000E-04    0.901898E+00
  38   -0.144885E-06    0.253206E+03  0.572203E-09 0.100000E-04    0.981054E+00
  39   -0.372551E-06    0.241578E+03  0.154215E-08 0.100000E-04    0.918925E+00
  40   -0.129101E-05    0.240781E+03  0.536177E-08 0.100000E-04    0.988984E+00
  41   -0.101359E-05    0.234025E+03  0.433111E-08 0.100000E-04    0.993917E+00
  42   -0.174420E-05    0.227525E+03  0.766597E-08 0.100000E-04    0.970998E+00
  43   -0.183111E-07    0.217145E+03  0.843266E-10 0.100000E-04    0.931854E+00
  44   -0.202359E-05    0.214894E+03  0.941665E-08 0.100000E-04    0.972967E+00
  45    0.708035E-06    0.213256E+03 -0.332012E-08 0.100000E-04    0.984129E+00
  46    0.110415E-05    0.207684E+03 -0.531648E-08 0.100000E-04    0.984789E+00
  47   -0.774349E-06    0.202992E+03  0.381468E-08 0.100000E-04    0.969954E+00
  48   -0.123642E-05    0.195420E+03  0.632700E-08 0.100000E-04    0.936431E+00
  49    0.982055E-06    0.194847E+03 -0.504012E-08 0.100000E-04    0.954087E+00
  50    0.133765E-05    0.191370E+03 -0.698985E-08 0.100000E-04    0.885345E+00
  51    0.231647E-06    0.182971E+03 -0.126603E-08 0.100000E-04    0.867924E+00
  52   -0.612976E-06    0.174369E+03  0.351539E-08 0.100000E-04    0.937044E+00
  53    0.108090E-06    0.172341E+03 -0.627186E-09 0.100000E-04    0.845387E+00
  54   -0.220138E-06    0.168220E+03  0.130863E-08 0.100000E-04    0.947434E+00
  55   -0.845400E-06    0.163216E+03  0.517963E-08 0.100000E-04    0.992049E+00
  56    0.138598E-05    0.156870E+03 -0.883521E-08 0.100000E-04    0.976090E+00
  57   -0.388074E-06    0.154920E+03  0.250500E-08 0.100000E-04    0.825841E+00
  58    0.920287E-06    0.152252E+03 -0.604449E-08 0.100000E-04    0.997001E+00
  59   -0.647120E-06    0.146656E+03  0.441252E-08 0.100000E-04    0.999360E+00
  60   -0.214400E-06    0.143341E+03  0.149574E-08 0.100000E-04    0.687459E+00
  61   -0.979910E-06    0.138101E+03  0.709558E-08 0.100000E-04    0.812402E+00
  62    0.963330E-06    0.135873E+03 -0.708992E-08 0.100000E-04    0.975526E+00
  63    0.211841E-05    0.130287E+03 -0.162596E-07 0.100000E-04    0.924123E+00
  64   -0.135270E-06    0.128843E+03  0.104988E-08 0.100000E-04    0.948093E+00
  65    0.135904E-05    0.126902E+03 -0.107094E-07 0.100000E-04    0.888333E+00
  66   -0.674349E-06    0.124056E+03  0.543585E-08 0.100000E-04    0.886406E+00
  67    0.190363E-05    0.120014E+03 -0.158617E-07 0.100000E-04    0.965633E+00
  68    0.460964E-06    0.118170E+03 -0.390087E-08 0.100000E-04    0.936556E+00
  69   -0.618982E-07    0.116831E+03  0.529810E-09 0.100000E-04    0.452523E+01
  70   -0.138054E-05    0.110367E+03  0.125086E-07 0.100000E-04    0.950394E+00
  71   -0.721881E-06    0.106823E+03  0.675770E-08 0.100000E-04    0.922501E+00
  72   -0.992047E-06    0.104457E+03  0.949716E-08 0.100000E-04    0.891214E+00
  73    0.167771E-06    0.102857E+03 -0.163112E-08 0.100000E-04    0.716062E+00
  74    0.494636E-07    0.995113E+02 -0.497065E-09 0.100000E-04    0.558544E+00
  75   -0.141707E-06    0.960871E+02  0.147477E-08 0.100000E-04    0.544827E+00
  76    0.209427E-06    0.940997E+02 -0.222558E-08 0.100000E-04    0.867080E+00
  77    0.151989E-05    0.919620E+02 -0.165273E-07 0.100000E-04    0.965150E+00
  78   -0.840995E-06    0.912349E+02  0.921791E-08 0.100000E-04    0.975506E+00
  79   -0.723904E-06    0.884108E+02  0.818795E-08 0.100000E-04    0.988473E+00
  80   -0.535929E-06    0.856139E+02  0.625984E-08 0.100000E-04    0.917762E+00
  81    0.129456E-05    0.808360E+02 -0.160146E-07 0.100000E-04    0.994910E+00
  82   -0.128193E-05    0.805129E+02  0.159220E-07 0.100000E-04    0.938822E+00
  83    0.254781E-06    0.779532E+02 -0.326839E-08 0.100000E-04    0.841484E+00
  84    0.427259E-06    0.732816E+02 -0.583037E-08 0.100000E-04    0.258095E+00
  85    0.215461E-05    0.725468E+02 -0.296995E-07 0.100000E-04    0.891517E+00
  86    0.595742E-06    0.679127E+02 -0.877218E-08 0.100000E-04    0.843322E+00
  87   -0.927491E-06    0.647461E+02  0.143250E-07 0.100000E-04    0.775276E+00
  88   -0.118954E-05    0.613418E+02  0.193919E-07 0.100000E-04    0.968072E+00
  89    0.211135E-05    0.598328E+02 -0.352875E-07 0.100000E-04    0.948826E+00
  90   -0.223631E-05    0.594021E+02  0.376469E-07 0.100000E-04    0.980321E+00
  91   -0.291384E-05    0.581355E+02  0.501216E-07 0.100000E-04    0.930278E+00
  92    0.365413E-05    0.558707E+02 -0.654033E-07 0.100000E-04    0.954855E+00
  93   -0.331107E-05    0.524441E+02  0.631353E-07 0.100000E-04    0.986815E+00
  94    0.627983E-06    0.520235E+02 -0.120711E-07 0.100000E-04    0.870294E+00
  95   -0.205311E-05    0.502510E+02  0.408571E-07 0.100000E-04    0.882619E+00
  96    0.120050E-05    0.461510E+02 -0.260124E-07 0.100000E-04    0.932425E+00
  97   -0.329473E-05    0.433503E+02  0.760024E-07 0.100000E-04    0.888178E+00
  98   -0.679570E-06    0.409182E+02  0.166080E-07 0.100000E-04    0.508904E+00
  99    0.210027E-05    0.378672E+02 -0.554640E-07 0.100000E-04    0.788005E+00
 100    0.163588E-05    0.362022E+02 -0.451873E-07 0.100000E-04    0.893276E+00
 101   -0.110113E-04    0.322620E+02  0.341307E-06 0.100000E-04    0.947345E+00
 102   -0.181527E-06    0.289074E+02  0.627961E-08 0.100000E-04    0.252133E+01
 103   -0.261411E-05    0.284537E+02  0.918726E-07 0.100000E-04    0.963749E+00
 104   -0.141703E-05    0.263038E+02  0.538718E-07 0.100000E-04    0.847967E+00
 105   -0.628164E-05    0.233313E+02  0.269237E-06 0.100000E-04    0.934549E+00
 106    0.537321E-05    0.213310E+02 -0.251897E-06 0.100000E-04    0.968382E+00
 107   -0.214207E-04    0.198523E+02  0.107900E-05 0.100000E-04    0.927005E+00
 108   -0.240451E-04    0.164540E+02  0.146135E-05 0.100000E-04    0.937484E+00
 109    0.577724E-05    0.139097E+02 -0.415340E-06 0.100000E-04    0.957819E+00
 110   -0.100299E-04    0.122436E+02  0.819190E-06 0.100000E-04    0.846790E+00
 111   -0.138715E-05    0.100891E+02  0.137490E-06 0.100000E-04    0.297095E+00
 112    0.321559E-01    0.908905E+01 -0.100000E-04 0.100000E-04    0.609291E+00
 113    0.970689E-01    0.575031E+01 -0.197230E-04 0.197230E-04    0.204566E+00
 114    0.913547E+00    0.316444E+01  0.100000E-04 0.100000E-04    0.819850E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1972300236E-04    0.2679624120    

 Beginning of optimization cycle  623.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993378567
 potential> RMS force:                                               0.0860973393   |gradient|=.9192680288    
 Eigenvalues of the Hessian matrix:
   746.74254    674.03404    630.73854    600.68447    586.35853    578.89324 
   564.83956    487.44767    460.58589    459.76284    441.65465    429.40531 
   421.89411    407.91605    396.32698    387.44315    370.03826    360.57098 
   349.33221    335.30887    329.31922    321.82609    319.13741    309.37340 
   300.80708    290.60206    279.02015    272.74360    268.54195    264.95945 
   263.84662    253.20563    241.57854    240.78155    234.02586    227.52498 
   217.14587    214.89452    213.25563    207.68457    202.99154    195.41904 
   194.84781    191.37041    182.97189    174.37004    172.34107    168.22045 
   163.21614    156.87027    154.92048    152.25219    146.65497    143.34067 
   138.10191    135.87319    130.28689    128.84352    126.90196    124.05473 
   120.01449    118.16988    116.83045    110.36711    106.82334    104.45739 
   102.85666     99.51124     96.08694     94.09951     91.96159     91.23506 
    88.41031     85.61421     80.83607     80.51352     77.95296     73.28143 
    72.54629     67.91240     64.74567     61.34138     59.83258     59.40223 
    58.13550     55.87047     52.44402     52.02312     50.25154     46.15061 
    43.35084     40.91835     37.86715     36.20189     32.26165     28.90770 
    28.45373     26.30402     23.33115     21.33127     19.85217     16.45393 
    13.90975     12.24367     10.08900      9.09050      5.75047      3.16415 
overlap for current and previous eigenvector    109 is         0.9999999898
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999720
overlap for current and previous eigenvector    112 is         0.9999999399
overlap for current and previous eigenvector    113 is         0.9999999389
overlap for current and previous eigenvector    114 is         0.9999999700
J1,K1,R1,R2,RAT=   7   7   -0.1089878778E-01     2.010888629        0.9891012122    
FOB,PFOB,DIAG,PSTEP=   -0.1771443030E-06   -0.1752344503E-06     746.7425392        0.2346663423E-09
J1,K1,R1,R2,RAT=   8   8    0.4968101357E-01     1.950322415        0.9503189864    
FOB,PFOB,DIAG,PSTEP=   -0.3986541677E-06   -0.4194950724E-06     674.0340423        0.6223637487E-09
J1,K1,R1,R2,RAT=   9   9    0.5384826580E-01     1.946142576        0.9461425762    
FOB,PFOB,DIAG,PSTEP=   -0.7063203184E-06   -0.7465192706E-06     630.7385420        0.1183569164E-08
J1,K1,R1,R2,RAT=  10  10    0.6783652067         1.321642444        0.3216347933    
FOB,PFOB,DIAG,PSTEP=   -0.1260953123E-07   -0.3920418362E-07     600.6844718        0.6526560197E-10
J1,K1,R1,R2,RAT=  11  11    0.2342154618         1.765786218        0.7657845382    
FOB,PFOB,DIAG,PSTEP=    0.1237782230E-07    0.1616357931E-07     586.3585279       -0.2756601118E-10
J1,K1,R1,R2,RAT= 109 109    0.4559132310E-01     1.954400228        0.9544002277    
FOB,PFOB,DIAG,PSTEP=    0.5513851066E-05    0.5777244395E-05     13.90975022       -0.4153395073E-06
J1,K1,R1,R2,RAT= 110 110    0.1578786095         1.842118048        0.8421180483    
FOB,PFOB,DIAG,PSTEP=   -0.8446364419E-05   -0.1002986881E-04     12.24366628        0.8191897214E-06
J1,K1,R1,R2,RAT= 111 111    0.3982246113         1.601789373        0.6017753887    
FOB,PFOB,DIAG,PSTEP=   -0.8347539602E-06   -0.1387145625E-05     10.08899616        0.1374899845E-06
J1,K1,R1,R2,RAT= 112 112    0.4270154239         707.0346796        0.5729845761    
FOB,PFOB,DIAG,PSTEP=    0.3211710212E-01    0.3215591998E-01     9.090504885       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8539880439         1712.577623        0.1460119561    
FOB,PFOB,DIAG,PSTEP=    0.9716575586E-01    0.9706889948E-01     5.750471133       -0.1972300236E-04
J1,K1,R1,R2,RAT= 114 114    0.2359185436        -57743.89482        0.7640814564    
FOB,PFOB,DIAG,PSTEP=    0.9135540570        0.9135465922         3.164145153        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03212      0.09717      0.91355 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3820426760
 Log product of positive Hessian eigenvalues =          519.0730894675
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1641451531
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000044
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000061
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000058
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=       -0.0000000149
 Unscaled step for mode   64=        0.0000000002
 Unscaled step for mode   65=       -0.0000000094
 Unscaled step for mode   66=        0.0000000048
 Unscaled step for mode   67=       -0.0000000152
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=        0.0000000118
 Unscaled step for mode   71=        0.0000000062
 Unscaled step for mode   72=        0.0000000109
 Unscaled step for mode   73=       -0.0000000012
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000029
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=       -0.0000000172
 Unscaled step for mode   78=       -0.0000000089
 Unscaled step for mode   79=        0.0000000080
 Unscaled step for mode   80=        0.0000000057
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000148
 Unscaled step for mode   83=       -0.0000000040
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000263
 Unscaled step for mode   86=       -0.0000000073
 Unscaled step for mode   87=        0.0000000111
 Unscaled step for mode   88=        0.0000000200
 Unscaled step for mode   89=       -0.0000000333
 Unscaled step for mode   90=        0.0000000367
 Unscaled step for mode   91=        0.0000000458
 Unscaled step for mode   92=       -0.0000000618
 Unscaled step for mode   93=        0.0000000619
 Unscaled step for mode   94=       -0.0000000141
 Unscaled step for mode   95=        0.0000000359
 Unscaled step for mode   96=       -0.0000000237
 Unscaled step for mode   97=        0.0000000668
 Unscaled step for mode   98=        0.0000000104
 Unscaled step for mode   99=       -0.0000000441
 Unscaled step for mode  100=       -0.0000000400
 Unscaled step for mode  101=        0.0000003193
 Unscaled step for mode  102=       -0.0000000032
 Unscaled step for mode  103=        0.0000000881
 Unscaled step for mode  104=        0.0000000665
 Unscaled step for mode  105=        0.0000002487
 Unscaled step for mode  106=       -0.0000002420
 Unscaled step for mode  107=        0.0000009878
 Unscaled step for mode  108=        0.0000013544
 Unscaled step for mode  109=       -0.0000003964
 Unscaled step for mode  110=        0.0000006899
 Unscaled step for mode  111=        0.0000000827
 Unscaled step for mode  112=       -0.0035329942
 Unscaled step for mode  113=       -0.0168921864
 Unscaled step for mode  114=        0.2679857818
 Largest modulus ratio of non-zero e/values=           236.0013536    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.710152E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.157751E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.449022E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.419603E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.158619E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.409476E-14    0.974305E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177144E-06    0.746743E+03  0.237223E-09 0.100000E-04    0.989101E+00
   8   -0.398654E-06    0.674034E+03  0.591445E-09 0.100000E-04    0.950319E+00
   9   -0.706320E-06    0.630739E+03  0.111983E-08 0.100000E-04    0.946143E+00
  10   -0.126095E-07    0.600684E+03  0.209919E-10 0.100000E-04    0.321635E+00
  11    0.123778E-07    0.586359E+03 -0.211096E-10 0.100000E-04    0.765785E+00
  12   -0.100753E-05    0.578893E+03  0.174044E-08 0.100000E-04    0.942954E+00
  13    0.528169E-07    0.564840E+03 -0.935077E-10 0.100000E-04    0.927258E+00
  14    0.420393E-06    0.487448E+03 -0.862437E-09 0.100000E-04    0.933313E+00
  15   -0.420630E-06    0.460586E+03  0.913249E-09 0.100000E-04    0.938864E+00
  16   -0.106000E-06    0.459763E+03  0.230553E-09 0.100000E-04    0.800097E+00
  17   -0.551232E-06    0.441655E+03  0.124811E-08 0.100000E-04    0.906638E+00
  18   -0.401019E-06    0.429405E+03  0.933893E-09 0.100000E-04    0.932321E+00
  19   -0.174056E-06    0.421894E+03  0.412558E-09 0.100000E-04    0.722344E+00
  20   -0.361697E-06    0.407916E+03  0.886694E-09 0.100000E-04    0.922509E+00
  21   -0.408429E-06    0.396327E+03  0.103054E-08 0.100000E-04    0.919259E+00
  22   -0.644456E-06    0.387443E+03  0.166336E-08 0.100000E-04    0.989995E+00
  23    0.777118E-06    0.370038E+03 -0.210010E-08 0.100000E-04    0.923308E+00
  24   -0.432802E-06    0.360571E+03  0.120033E-08 0.100000E-04    0.977428E+00
  25   -0.105258E-06    0.349332E+03  0.301313E-09 0.100000E-04    0.426265E+00
  26   -0.106554E-06    0.335309E+03  0.317779E-09 0.109000E-04    0.158895E+00
  27    0.338054E-06    0.329319E+03 -0.102652E-08 0.100000E-04    0.884834E+00
  28   -0.360421E-06    0.321826E+03  0.111992E-08 0.100000E-04    0.892856E+00
  29   -0.168559E-07    0.319137E+03  0.528170E-10 0.109000E-04    0.189419E+00
  30   -0.134112E-05    0.309373E+03  0.433495E-08 0.100000E-04    0.959006E+00
  31   -0.101885E-05    0.300807E+03  0.338706E-08 0.100000E-04    0.954806E+00
  32   -0.122798E-05    0.290602E+03  0.422563E-08 0.100000E-04    0.967899E+00
  33    0.154169E-07    0.279020E+03 -0.552537E-10 0.100000E-04    0.458118E+00
  34   -0.895425E-07    0.272744E+03  0.328303E-09 0.100000E-04    0.331419E+00
  35    0.102371E-05    0.268542E+03 -0.381212E-08 0.100000E-04    0.967921E+00
  36    0.125962E-05    0.264959E+03 -0.475401E-08 0.100000E-04    0.982167E+00
  37   -0.462177E-06    0.263847E+03  0.175169E-08 0.100000E-04    0.894771E+00
  38   -0.147839E-06    0.253206E+03  0.583870E-09 0.100000E-04    0.979612E+00
  39   -0.414437E-06    0.241579E+03  0.171554E-08 0.100000E-04    0.887568E+00
  40   -0.127190E-05    0.240782E+03  0.528238E-08 0.100000E-04    0.985193E+00
  41   -0.102140E-05    0.234026E+03  0.436449E-08 0.100000E-04    0.992289E+00
  42   -0.167861E-05    0.227525E+03  0.737770E-08 0.100000E-04    0.962395E+00
  43   -0.152102E-07    0.217146E+03  0.700458E-10 0.100000E-04    0.830645E+00
  44   -0.195745E-05    0.214895E+03  0.910888E-08 0.100000E-04    0.967315E+00
  45    0.719053E-06    0.213256E+03 -0.337179E-08 0.100000E-04    0.984439E+00
  46    0.108582E-05    0.207685E+03 -0.522822E-08 0.100000E-04    0.983396E+00
  47   -0.747717E-06    0.202992E+03  0.368349E-08 0.100000E-04    0.965607E+00
  48   -0.114359E-05    0.195419E+03  0.585198E-08 0.100000E-04    0.924916E+00
  49    0.931560E-06    0.194848E+03 -0.478096E-08 0.100000E-04    0.948580E+00
  50    0.117129E-05    0.191370E+03 -0.612053E-08 0.100000E-04    0.875628E+00
  51    0.198629E-06    0.182972E+03 -0.108557E-08 0.100000E-04    0.857459E+00
  52   -0.567524E-06    0.174370E+03  0.325471E-08 0.100000E-04    0.925841E+00
  53    0.132455E-06    0.172341E+03 -0.768560E-09 0.100000E-04    0.774589E+00
  54   -0.233680E-06    0.168220E+03  0.138913E-08 0.100000E-04    0.938482E+00
  55   -0.848305E-06    0.163216E+03  0.519743E-08 0.100000E-04    0.996564E+00
  56    0.134672E-05    0.156870E+03 -0.858494E-08 0.100000E-04    0.971672E+00
  57   -0.322000E-06    0.154920E+03  0.207849E-08 0.100000E-04    0.829733E+00
  58    0.919829E-06    0.152252E+03 -0.604148E-08 0.100000E-04    0.999502E+00
  59   -0.645041E-06    0.146655E+03  0.439836E-08 0.100000E-04    0.996787E+00
  60   -0.155754E-06    0.143341E+03  0.108660E-08 0.100000E-04    0.726463E+00
  61   -0.795949E-06    0.138102E+03  0.576349E-08 0.100000E-04    0.812261E+00
  62    0.933107E-06    0.135873E+03 -0.686748E-08 0.100000E-04    0.968627E+00
  63    0.193608E-05    0.130287E+03 -0.148602E-07 0.100000E-04    0.913931E+00
  64   -0.267543E-07    0.128844E+03  0.207650E-09 0.109000E-04    0.197783E+00
  65    0.119836E-05    0.126902E+03 -0.944320E-08 0.100000E-04    0.881770E+00
  66   -0.594868E-06    0.124055E+03  0.479521E-08 0.100000E-04    0.882136E+00
  67    0.182533E-05    0.120014E+03 -0.152093E-07 0.100000E-04    0.958866E+00
  68    0.427969E-06    0.118170E+03 -0.362164E-08 0.100000E-04    0.928418E+00
  69   -0.411069E-08    0.116830E+03  0.351851E-10 0.109000E-04    0.664074E-01
  70   -0.130130E-05    0.110367E+03  0.117906E-07 0.100000E-04    0.942600E+00
  71   -0.660121E-06    0.106823E+03  0.617956E-08 0.100000E-04    0.914446E+00
  72   -0.113636E-05    0.104457E+03  0.108787E-07 0.100000E-04    0.854529E+00
  73    0.123177E-06    0.102857E+03 -0.119756E-08 0.100000E-04    0.734198E+00
  74    0.932797E-07    0.995112E+02 -0.937378E-09 0.109000E-04    0.114174E+00
  75   -0.278895E-06    0.960869E+02  0.290252E-08 0.109000E-04    0.318859E-01
  76    0.178497E-06    0.940995E+02 -0.189689E-08 0.100000E-04    0.852312E+00
  77    0.158156E-05    0.919616E+02 -0.171981E-07 0.100000E-04    0.959421E+00
  78    0.812584E-06    0.912351E+02 -0.890648E-08 0.100000E-04    0.966213E+00
  79   -0.710625E-06    0.884103E+02  0.803781E-08 0.100000E-04    0.981657E+00
  80   -0.488985E-06    0.856142E+02  0.571149E-08 0.100000E-04    0.912400E+00
  81    0.128273E-05    0.808361E+02 -0.158683E-07 0.100000E-04    0.990862E+00
  82   -0.119239E-05    0.805135E+02  0.148098E-07 0.100000E-04    0.930137E+00
  83    0.310907E-06    0.779530E+02 -0.398839E-08 0.100000E-04    0.779710E+00
  84    0.210569E-06    0.732814E+02 -0.287343E-08 0.100000E-04    0.492836E+00
  85    0.190946E-05    0.725463E+02 -0.263206E-07 0.100000E-04    0.886222E+00
  86    0.497575E-06    0.679124E+02 -0.732671E-08 0.100000E-04    0.835217E+00
  87   -0.719184E-06    0.647457E+02  0.111078E-07 0.100000E-04    0.775407E+00
  88   -0.122791E-05    0.613414E+02  0.200177E-07 0.100000E-04    0.967738E+00
  89    0.199079E-05    0.598326E+02 -0.332727E-07 0.100000E-04    0.942899E+00
  90   -0.217928E-05    0.594022E+02  0.366869E-07 0.100000E-04    0.974496E+00
  91   -0.266173E-05    0.581355E+02  0.457849E-07 0.100000E-04    0.913476E+00
  92    0.345324E-05    0.558705E+02 -0.618079E-07 0.100000E-04    0.945024E+00
  93   -0.324541E-05    0.524440E+02  0.618834E-07 0.100000E-04    0.980170E+00
  94    0.731072E-06    0.520231E+02 -0.140528E-07 0.100000E-04    0.835840E+00
  95   -0.180594E-05    0.502515E+02  0.359381E-07 0.100000E-04    0.879593E+00
  96    0.109483E-05    0.461506E+02 -0.237229E-07 0.100000E-04    0.911975E+00
  97   -0.289583E-05    0.433508E+02  0.667998E-07 0.100000E-04    0.878904E+00
  98   -0.424888E-06    0.409184E+02  0.103838E-07 0.100000E-04    0.625225E+00
  99    0.166807E-05    0.378671E+02 -0.440505E-07 0.100000E-04    0.794218E+00
 100    0.144693E-05    0.362019E+02 -0.399685E-07 0.100000E-04    0.884499E+00
 101   -0.103016E-04    0.322617E+02  0.319315E-06 0.100000E-04    0.935554E+00
 102    0.917720E-07    0.289077E+02 -0.317466E-08 0.100000E-04    0.505538E+00
 103   -0.250687E-05    0.284537E+02  0.881034E-07 0.100000E-04    0.958972E+00
 104   -0.174898E-05    0.263040E+02  0.664908E-07 0.100000E-04    0.765748E+00
 105   -0.580170E-05    0.233311E+02  0.248668E-06 0.100000E-04    0.923596E+00
 106    0.516257E-05    0.213313E+02 -0.242019E-06 0.100000E-04    0.960776E+00
 107   -0.196108E-04    0.198522E+02  0.987840E-06 0.100000E-04    0.915506E+00
 108   -0.222858E-04    0.164539E+02  0.135444E-05 0.100000E-04    0.926836E+00
 109    0.551385E-05    0.139098E+02 -0.396402E-06 0.100000E-04    0.954400E+00
 110   -0.844636E-05    0.122437E+02  0.689856E-06 0.100000E-04    0.842118E+00
 111   -0.834754E-06    0.100890E+02  0.827391E-07 0.100000E-04    0.601775E+00
 112    0.321171E-01    0.909050E+01 -0.100000E-04 0.100000E-04    0.572985E+00
 113    0.971658E-01    0.575047E+01 -0.214981E-04 0.214981E-04    0.146012E+00
 114    0.913554E+00    0.316415E+01  0.100000E-04 0.100000E-04    0.764081E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2149807257E-04    0.2679857818    

 Beginning of optimization cycle  624.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993311293
 potential> RMS force:                                               0.0860987632   |gradient|=.9192832322    
 Eigenvalues of the Hessian matrix:
   746.74641    674.03269    630.74152    600.68219    586.35797    578.89344 
   564.83550    487.44730    460.58457    459.76230    441.65405    429.40662 
   421.89347    407.91440    396.32640    387.44170    370.03875    360.57115 
   349.33149    335.30952    329.32011    321.82584    319.13808    309.37224 
   300.80651    290.60213    279.02164    272.74406    268.54221    264.95977 
   263.84726    253.20504    241.57886    240.78195    234.02665    227.52530 
   217.14661    214.89466    213.25535    207.68507    202.99112    195.41823 
   194.84819    191.37088    182.97263    174.37078    172.34131    168.22073 
   163.21581    156.87005    154.92100    152.25200    146.65436    143.34026 
   138.10243    135.87319    130.28663    128.84373    126.90217    124.05360 
   120.01468    118.17001    116.83002    110.36735    106.82317    104.45762 
   102.85673     99.51117     96.08674     94.09929     91.96118     91.23528 
    88.40980     85.61452     80.83615     80.51420     77.95274     73.28121 
    72.54572     67.91210     64.74521     61.34092     59.83233     59.40233 
    58.13546     55.87024     52.44391     52.02274     50.25213     46.15018 
    43.35141     40.91847     37.86710     36.20153     32.26127     28.90803 
    28.45379     26.30430     23.33106     21.33151     19.85207     16.45382 
    13.90981     12.24369     10.08893      9.09204      5.75065      3.16384 
overlap for current and previous eigenvector    109 is         0.9999999885
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999670
overlap for current and previous eigenvector    112 is         0.9999999317
overlap for current and previous eigenvector    113 is         0.9999999325
overlap for current and previous eigenvector    114 is         0.9999999665
J1,K1,R1,R2,RAT=   7   7    0.3810512149E-02     1.996179109        0.9961791086    
FOB,PFOB,DIAG,PSTEP=   -0.1764692890E-06   -0.1771443030E-06     746.7464145        0.2372227291E-09
J1,K1,R1,R2,RAT=   8   8   -0.4287966885E-01     2.042883689        0.9571203311    
FOB,PFOB,DIAG,PSTEP=   -0.4157482920E-06   -0.3986541677E-06     674.0326874        0.5914451537E-09
J1,K1,R1,R2,RAT=   9   9   -0.4601754078E-01     2.046008093        0.9539824592    
FOB,PFOB,DIAG,PSTEP=   -0.7388235960E-06   -0.7063203184E-06     630.7415215        0.1119830597E-08
J1,K1,R1,R2,RAT=  10  10    -1.791840148         3.791847732        0.7918401481    
FOB,PFOB,DIAG,PSTEP=   -0.3520370985E-07   -0.1260953123E-07     600.6821940        0.2099193806E-10
J1,K1,R1,R2,RAT=  11  11   -0.1723409062         2.172342802        0.8276590938    
FOB,PFOB,DIAG,PSTEP=    0.1451102539E-07    0.1237782230E-07     586.3579720       -0.2110964829E-10
J1,K1,R1,R2,RAT= 109 109   -0.4148212793E-01     2.041473504        0.9585178721    
FOB,PFOB,DIAG,PSTEP=    0.5742578328E-05    0.5513851066E-05     13.90981020       -0.3964018749E-06
J1,K1,R1,R2,RAT= 110 110   -0.1549592109         2.154955855        0.8450407891    
FOB,PFOB,DIAG,PSTEP=   -0.9755208580E-05   -0.8446364419E-05     12.24368682        0.6898558183E-06
J1,K1,R1,R2,RAT= 111 111   -0.6769771476         2.676990642        0.3230228524    
FOB,PFOB,DIAG,PSTEP=   -0.1399859502E-05   -0.8347539602E-06     10.08892809        0.8273905022E-07
J1,K1,R1,R2,RAT= 112 112    0.3977040110         706.0906640        0.6022959890    
FOB,PFOB,DIAG,PSTEP=    0.3208094271E-01    0.3211710212E-01     9.092039890       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8000442776         1572.705948        0.1999557224    
FOB,PFOB,DIAG,PSTEP=    0.9726466370E-01    0.9716575586E-01     5.750652958       -0.2149807257E-04
J1,K1,R1,R2,RAT= 114 114    0.1910281478        -57749.84762        0.8089718522    
FOB,PFOB,DIAG,PSTEP=    0.9135601009        0.9135540570         3.163842388        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03208      0.09726      0.91356 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3820217951
 Log product of positive Hessian eigenvalues =          519.0731648001
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1638423876
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000069
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000160
 Unscaled step for mode   64=        0.0000000009
 Unscaled step for mode   65=       -0.0000000105
 Unscaled step for mode   66=        0.0000000053
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=        0.0000000124
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=        0.0000000097
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=        0.0000000017
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=       -0.0000000166
 Unscaled step for mode   78=       -0.0000000091
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000062
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000157
 Unscaled step for mode   83=       -0.0000000034
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=       -0.0000000292
 Unscaled step for mode   86=       -0.0000000085
 Unscaled step for mode   87=        0.0000000137
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000350
 Unscaled step for mode   90=        0.0000000374
 Unscaled step for mode   91=        0.0000000490
 Unscaled step for mode   92=       -0.0000000646
 Unscaled step for mode   93=        0.0000000627
 Unscaled step for mode   94=       -0.0000000123
 Unscaled step for mode   95=        0.0000000402
 Unscaled step for mode   96=       -0.0000000253
 Unscaled step for mode   97=        0.0000000743
 Unscaled step for mode   98=        0.0000000158
 Unscaled step for mode   99=       -0.0000000536
 Unscaled step for mode  100=       -0.0000000442
 Unscaled step for mode  101=        0.0000003361
 Unscaled step for mode  102=        0.0000000044
 Unscaled step for mode  103=        0.0000000913
 Unscaled step for mode  104=        0.0000000570
 Unscaled step for mode  105=        0.0000002649
 Unscaled step for mode  106=       -0.0000002496
 Unscaled step for mode  107=        0.0000010600
 Unscaled step for mode  108=        0.0000014389
 Unscaled step for mode  109=       -0.0000004128
 Unscaled step for mode  110=        0.0000007968
 Unscaled step for mode  111=        0.0000001388
 Unscaled step for mode  112=       -0.0035284209
 Unscaled step for mode  113=       -0.0169088372
 Unscaled step for mode  114=        0.2680095251
 Largest modulus ratio of non-zero e/values=           236.0251628    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.438018E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.188884E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.466857E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.502635E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.610875E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.364571E-14    0.974306E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176469E-06    0.746746E+03  0.236318E-09 0.100000E-04    0.996179E+00
   8   -0.415748E-06    0.674033E+03  0.616807E-09 0.100000E-04    0.957120E+00
   9   -0.738824E-06    0.630742E+03  0.117136E-08 0.100000E-04    0.953982E+00
  10   -0.352037E-07    0.600682E+03  0.586062E-10 0.100000E-04    0.791840E+00
  11    0.145110E-07    0.586358E+03 -0.247477E-10 0.100000E-04    0.827659E+00
  12   -0.105780E-05    0.578893E+03  0.182727E-08 0.100000E-04    0.950108E+00
  13    0.496159E-07    0.564835E+03 -0.878414E-10 0.100000E-04    0.939395E+00
  14    0.445943E-06    0.487447E+03 -0.914853E-09 0.100000E-04    0.939224E+00
  15   -0.442834E-06    0.460585E+03  0.961461E-09 0.100000E-04    0.947211E+00
  16   -0.127823E-06    0.459762E+03  0.278020E-09 0.100000E-04    0.794117E+00
  17   -0.598741E-06    0.441654E+03  0.135568E-08 0.100000E-04    0.913814E+00
  18   -0.424375E-06    0.429407E+03  0.988283E-09 0.100000E-04    0.941757E+00
  19   -0.142324E-06    0.421893E+03  0.337347E-09 0.100000E-04    0.817694E+00
  20   -0.386528E-06    0.407914E+03  0.947571E-09 0.100000E-04    0.931348E+00
  21   -0.437972E-06    0.396326E+03  0.110508E-08 0.100000E-04    0.927668E+00
  22   -0.648277E-06    0.387442E+03  0.167322E-08 0.100000E-04    0.994072E+00
  23    0.830507E-06    0.370039E+03 -0.224438E-08 0.100000E-04    0.931299E+00
  24   -0.440604E-06    0.360571E+03  0.122196E-08 0.100000E-04    0.981974E+00
  25   -0.725731E-07    0.349331E+03  0.207748E-09 0.100000E-04    0.689475E+00
  26   -0.605948E-07    0.335310E+03  0.180713E-09 0.100000E-04    0.568673E+00
  27    0.373241E-06    0.329320E+03 -0.113337E-08 0.100000E-04    0.895913E+00
  28   -0.394757E-06    0.321826E+03  0.122662E-08 0.100000E-04    0.904734E+00
  29   -0.728957E-07    0.319138E+03  0.228414E-09 0.100000E-04    0.232464E+01
  30   -0.138265E-05    0.309372E+03  0.446921E-08 0.100000E-04    0.969033E+00
  31   -0.105756E-05    0.300807E+03  0.351574E-08 0.100000E-04    0.962010E+00
  32   -0.125895E-05    0.290602E+03  0.433223E-08 0.100000E-04    0.974773E+00
  33   -0.245650E-07    0.279022E+03  0.880399E-10 0.100000E-04    0.406621E+00
  34   -0.487040E-07    0.272744E+03  0.178570E-09 0.100000E-04    0.543917E+00
  35    0.104856E-05    0.268542E+03 -0.390463E-08 0.100000E-04    0.975729E+00
  36    0.127669E-05    0.264960E+03 -0.481843E-08 0.100000E-04    0.986449E+00
  37   -0.507501E-06    0.263847E+03  0.192347E-08 0.100000E-04    0.901934E+00
  38   -0.145053E-06    0.253205E+03  0.572867E-09 0.100000E-04    0.981152E+00
  39   -0.382113E-06    0.241579E+03  0.158173E-08 0.100000E-04    0.922003E+00
  40   -0.128565E-05    0.240782E+03  0.533948E-08 0.100000E-04    0.989190E+00
  41   -0.101523E-05    0.234027E+03  0.433810E-08 0.100000E-04    0.993950E+00
  42   -0.172681E-05    0.227525E+03  0.758953E-08 0.100000E-04    0.971286E+00
  43   -0.163397E-07    0.217147E+03  0.752474E-10 0.100000E-04    0.925737E+00
  44   -0.200964E-05    0.214895E+03  0.935174E-08 0.100000E-04    0.973338E+00
  45    0.707784E-06    0.213255E+03 -0.331895E-08 0.100000E-04    0.984329E+00
  46    0.110201E-05    0.207685E+03 -0.530616E-08 0.100000E-04    0.985091E+00
  47   -0.769854E-06    0.202991E+03  0.379255E-08 0.100000E-04    0.970393E+00
  48   -0.121619E-05    0.195418E+03  0.622350E-08 0.100000E-04    0.936517E+00
  49    0.973914E-06    0.194848E+03 -0.499832E-08 0.100000E-04    0.954535E+00
  50    0.130637E-05    0.191371E+03 -0.682640E-08 0.100000E-04    0.884668E+00
  51    0.225184E-06    0.182973E+03 -0.123070E-08 0.100000E-04    0.866312E+00
  52   -0.603191E-06    0.174371E+03  0.345924E-08 0.100000E-04    0.937153E+00
  53    0.113054E-06    0.172341E+03 -0.655989E-09 0.100000E-04    0.853528E+00
  54   -0.221672E-06    0.168221E+03  0.131775E-08 0.100000E-04    0.948610E+00
  55   -0.841541E-06    0.163216E+03  0.515600E-08 0.100000E-04    0.992026E+00
  56    0.137843E-05    0.156870E+03 -0.878710E-08 0.100000E-04    0.976453E+00
  57   -0.378525E-06    0.154921E+03  0.244334E-08 0.100000E-04    0.824458E+00
  58    0.917061E-06    0.152252E+03 -0.602331E-08 0.100000E-04    0.996990E+00
  59   -0.644564E-06    0.146654E+03  0.439513E-08 0.100000E-04    0.999262E+00
  60   -0.205909E-06    0.143340E+03  0.143651E-08 0.100000E-04    0.677983E+00
  61   -0.948022E-06    0.138102E+03  0.686463E-08 0.100000E-04    0.808942E+00
  62    0.955682E-06    0.135873E+03 -0.703363E-08 0.100000E-04    0.975807E+00
  63    0.208287E-05    0.130287E+03 -0.159869E-07 0.100000E-04    0.924181E+00
  64   -0.114680E-06    0.128844E+03  0.890073E-09 0.100000E-04    0.228642E+01
  65    0.133240E-05    0.126902E+03 -0.104994E-07 0.100000E-04    0.888151E+00
  66   -0.662502E-06    0.124054E+03  0.534045E-08 0.100000E-04    0.886302E+00
  67    0.188736E-05    0.120015E+03 -0.157261E-07 0.100000E-04    0.966021E+00
  68    0.454944E-06    0.118170E+03 -0.384991E-08 0.100000E-04    0.936970E+00
  69   -0.555897E-07    0.116830E+03  0.475817E-09 0.100000E-04    0.115233E+02
  70   -0.136529E-05    0.110367E+03  0.123705E-07 0.100000E-04    0.950821E+00
  71   -0.711205E-06    0.106823E+03  0.665778E-08 0.100000E-04    0.922615E+00
  72   -0.101727E-05    0.104458E+03  0.973858E-08 0.100000E-04    0.895195E+00
  73    0.159534E-06    0.102857E+03 -0.155103E-08 0.100000E-04    0.704841E+00
  74    0.548836E-07    0.995112E+02 -0.551532E-09 0.100000E-04    0.588377E+00
  75   -0.162516E-06    0.960867E+02  0.169135E-08 0.100000E-04    0.582714E+00
  76    0.202506E-06    0.940993E+02 -0.215205E-08 0.100000E-04    0.865492E+00
  77    0.152756E-05    0.919612E+02 -0.166109E-07 0.100000E-04    0.965856E+00
  78    0.832270E-06    0.912353E+02 -0.912224E-08 0.100000E-04    0.975773E+00
  79   -0.718737E-06    0.884098E+02  0.812961E-08 0.100000E-04    0.988585E+00
  80   -0.529069E-06    0.856145E+02  0.617966E-08 0.100000E-04    0.918027E+00
  81    0.128908E-05    0.808362E+02 -0.159469E-07 0.100000E-04    0.995047E+00
  82   -0.126500E-05    0.805142E+02  0.157115E-07 0.100000E-04    0.939107E+00
  83    0.263588E-06    0.779527E+02 -0.338139E-08 0.100000E-04    0.847804E+00
  84    0.389262E-06    0.732812E+02 -0.531190E-08 0.109000E-04    0.151378E+00
  85    0.211667E-05    0.725457E+02 -0.291771E-07 0.100000E-04    0.891480E+00
  86    0.576775E-06    0.679121E+02 -0.849296E-08 0.100000E-04    0.840826E+00
  87   -0.886480E-06    0.647452E+02  0.136918E-07 0.100000E-04    0.767380E+00
  88   -0.118906E-05    0.613409E+02  0.193845E-07 0.100000E-04    0.968363E+00
  89    0.209150E-05    0.598323E+02 -0.349560E-07 0.100000E-04    0.949413E+00
  90   -0.222172E-05    0.594023E+02  0.374013E-07 0.100000E-04    0.980525E+00
  91   -0.284802E-05    0.581355E+02  0.489893E-07 0.100000E-04    0.930011E+00
  92    0.360832E-05    0.558702E+02 -0.645840E-07 0.100000E-04    0.955090E+00
  93   -0.328762E-05    0.524439E+02  0.626884E-07 0.100000E-04    0.986994E+00
  94    0.638923E-06    0.520227E+02 -0.122816E-07 0.100000E-04    0.873953E+00
  95   -0.201787E-05    0.502521E+02  0.401549E-07 0.100000E-04    0.882652E+00
  96    0.116931E-05    0.461502E+02 -0.253371E-07 0.100000E-04    0.931965E+00
  97   -0.322103E-05    0.433514E+02  0.743005E-07 0.100000E-04    0.887700E+00
  98   -0.644862E-06    0.409185E+02  0.157597E-07 0.100000E-04    0.482278E+00
  99    0.202900E-05    0.378671E+02 -0.535821E-07 0.100000E-04    0.783623E+00
 100    0.160183E-05    0.362015E+02 -0.442474E-07 0.100000E-04    0.892951E+00
 101   -0.108424E-04    0.322613E+02  0.336082E-06 0.100000E-04    0.947503E+00
 102   -0.126292E-06    0.289080E+02  0.436876E-08 0.100000E-04    0.623851E+00
 103   -0.259659E-05    0.284538E+02  0.912563E-07 0.100000E-04    0.964212E+00
 104   -0.149839E-05    0.263043E+02  0.569638E-07 0.100000E-04    0.856706E+00
 105   -0.618091E-05    0.233311E+02  0.264922E-06 0.100000E-04    0.934639E+00
 106    0.532355E-05    0.213315E+02 -0.249563E-06 0.100000E-04    0.968818E+00
 107   -0.210426E-04    0.198521E+02  0.105997E-05 0.100000E-04    0.926986E+00
 108   -0.236757E-04    0.164538E+02  0.143892E-05 0.100000E-04    0.937635E+00
 109    0.574258E-05    0.139098E+02 -0.412844E-06 0.100000E-04    0.958518E+00
 110   -0.975521E-05    0.122437E+02  0.796754E-06 0.100000E-04    0.845041E+00
 111   -0.139986E-05    0.100889E+02  0.138752E-06 0.100000E-04    0.323023E+00
 112    0.320809E-01    0.909204E+01 -0.100000E-04 0.100000E-04    0.602296E+00
 113    0.972647E-01    0.575065E+01 -0.234329E-04 0.234329E-04    0.199956E+00
 114    0.913560E+00    0.316384E+01  0.100000E-04 0.100000E-04    0.808972E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2343289910E-04    0.2680095251    

 Beginning of optimization cycle  625.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993245915
 potential> RMS force:                                               0.0861000756   |gradient|=.9192972447    
 Eigenvalues of the Hessian matrix:
   746.75044    674.03118    630.74463    600.67990    586.35735    578.89366 
   564.83119    487.44683    460.58321    459.76173    441.65341    429.40808 
   421.89284    407.91267    396.32580    387.44023    370.03922    360.57136 
   349.33081    335.31022    329.32103    321.82553    319.13889    309.37104 
   300.80596    290.60221    279.02324    272.74455    268.54251    264.96012 
   263.84795    253.20446    241.57924    240.78237    234.02752    227.52571 
   217.14743    214.89480    213.25504    207.68560    202.99068    195.41739 
   194.84862    191.37136    182.97345    174.37158    172.34156    168.22104 
   163.21546    156.86982    154.92155    152.25181    146.65372    143.33981 
   138.10299    135.87319    130.28634    128.84396    126.90236    124.05239 
   120.01486    118.17013    116.82954    110.36761    106.82298    104.45784 
   102.85680     99.51109     96.08650     94.09903     91.96077     91.23552 
    88.40925     85.61485     80.83624     80.51493     77.95250     73.28096 
    72.54508     67.91174     64.74472     61.34046     59.83207     59.40241 
    58.13539     55.86998     52.44379     52.02232     50.25275     46.14972 
    43.35202     40.91857     37.86703     36.20110     32.26088     28.90837 
    28.45386     26.30460     23.33096     21.33173     19.85199     16.45371 
    13.90987     12.24370     10.08886      9.09366      5.75085      3.16353 
overlap for current and previous eigenvector    109 is         0.9999999871
overlap for current and previous eigenvector    110 is         0.9999999983
overlap for current and previous eigenvector    111 is         0.9999999615
overlap for current and previous eigenvector    112 is         0.9999999227
overlap for current and previous eigenvector    113 is         0.9999999241
overlap for current and previous eigenvector    114 is         0.9999999614
J1,K1,R1,R2,RAT=   7   7    0.3665434953E-01     1.963334861        0.9633348609    
FOB,PFOB,DIAG,PSTEP=   -0.1700008871E-06   -0.1764692890E-06     746.7504431        0.2363175579E-09
J1,K1,R1,R2,RAT=   8   8   -0.4473615822E-01     2.044740636        0.9552638418    
FOB,PFOB,DIAG,PSTEP=   -0.4343472318E-06   -0.4157482920E-06     674.0311782        0.6168073149E-09
J1,K1,R1,R2,RAT=   9   9   -0.5081499569E-01     2.050805125        0.9491850043    
FOB,PFOB,DIAG,PSTEP=   -0.7763670991E-06   -0.7388235960E-06     630.7446344        0.1171357158E-08
J1,K1,R1,R2,RAT=  10  10   -0.6359882566         2.635995883        0.3640117434    
FOB,PFOB,DIAG,PSTEP=   -0.5759277053E-07   -0.3520370985E-07     600.6799035        0.5860621508E-10
J1,K1,R1,R2,RAT=  11  11   -0.4062858452         2.406287961        0.5937141548    
FOB,PFOB,DIAG,PSTEP=    0.2040664336E-07    0.1451102539E-07     586.3573516       -0.2474772422E-10
J1,K1,R1,R2,RAT= 109 109   -0.2014461055E-01     2.020136079        0.9798553895    
FOB,PFOB,DIAG,PSTEP=    0.5858260825E-05    0.5742578328E-05     13.90986953       -0.4128437590E-06
J1,K1,R1,R2,RAT= 110 110   -0.1471093603         2.147106619        0.8528906397    
FOB,PFOB,DIAG,PSTEP=   -0.1119029304E-04   -0.9755208580E-05     12.24370360        0.7967541739E-06
J1,K1,R1,R2,RAT= 111 111   -0.1714738445         2.171487592        0.8285261555    
FOB,PFOB,DIAG,PSTEP=   -0.1639897143E-05   -0.1399859502E-05     10.08885875        0.1387520547E-06
J1,K1,R1,R2,RAT= 112 112    0.3662692315         705.2011400        0.6337307685    
FOB,PFOB,DIAG,PSTEP=    0.3204763544E-01    0.3208094271E-01     9.093657755       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7741902253         1444.307230        0.2258097747    
FOB,PFOB,DIAG,PSTEP=    0.9736899294E-01    0.9726466370E-01     5.750853894       -0.2343289910E-04
J1,K1,R1,R2,RAT= 114 114    0.1313588107        -57755.88787        0.8686411893    
FOB,PFOB,DIAG,PSTEP=    0.9135642564        0.9135601009         3.163529165        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00003 
     0.00001     -0.00001     -0.00000      0.03205      0.09737      0.91356 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3820021647
 Log product of positive Hessian eigenvalues =          519.0732432840
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1635291649
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000010
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000011
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000037
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000041
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000068
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000076
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=       -0.0000000005
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000028
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000018
 Unscaled step for mode   61=        0.0000000080
 Unscaled step for mode   62=       -0.0000000073
 Unscaled step for mode   63=       -0.0000000174
 Unscaled step for mode   64=        0.0000000018
 Unscaled step for mode   65=       -0.0000000115
 Unscaled step for mode   66=        0.0000000059
 Unscaled step for mode   67=       -0.0000000164
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=        0.0000000008
 Unscaled step for mode   70=        0.0000000130
 Unscaled step for mode   71=        0.0000000072
 Unscaled step for mode   72=        0.0000000084
 Unscaled step for mode   73=       -0.0000000019
 Unscaled step for mode   74=       -0.0000000002
 Unscaled step for mode   75=        0.0000000004
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=       -0.0000000161
 Unscaled step for mode   78=       -0.0000000095
 Unscaled step for mode   79=        0.0000000085
 Unscaled step for mode   80=        0.0000000067
 Unscaled step for mode   81=       -0.0000000162
 Unscaled step for mode   82=        0.0000000167
 Unscaled step for mode   83=       -0.0000000027
 Unscaled step for mode   84=       -0.0000000080
 Unscaled step for mode   85=       -0.0000000319
 Unscaled step for mode   86=       -0.0000000099
 Unscaled step for mode   87=        0.0000000169
 Unscaled step for mode   88=        0.0000000187
 Unscaled step for mode   89=       -0.0000000364
 Unscaled step for mode   90=        0.0000000389
 Unscaled step for mode   91=        0.0000000542
 Unscaled step for mode   92=       -0.0000000689
 Unscaled step for mode   93=        0.0000000648
 Unscaled step for mode   94=       -0.0000000109
 Unscaled step for mode   95=        0.0000000440
 Unscaled step for mode   96=       -0.0000000284
 Unscaled step for mode   97=        0.0000000825
 Unscaled step for mode   98=        0.0000000204
 Unscaled step for mode   99=       -0.0000000633
 Unscaled step for mode  100=       -0.0000000490
 Unscaled step for mode  101=        0.0000003620
 Unscaled step for mode  102=        0.0000000147
 Unscaled step for mode  103=        0.0000000939
 Unscaled step for mode  104=        0.0000000380
 Unscaled step for mode  105=        0.0000002877
 Unscaled step for mode  106=       -0.0000002582
 Unscaled step for mode  107=        0.0000011582
 Unscaled step for mode  108=        0.0000015531
 Unscaled step for mode  109=       -0.0000004212
 Unscaled step for mode  110=        0.0000009140
 Unscaled step for mode  111=        0.0000001625
 Unscaled step for mode  112=       -0.0035241306
 Unscaled step for mode  113=       -0.0169263727
 Unscaled step for mode  114=        0.2680335596
 Largest modulus ratio of non-zero e/values=           236.0498052    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.835703E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.226300E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.262648E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.158204E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.380555E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.490229E-14    0.974306E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170001E-06    0.746750E+03  0.227654E-09 0.100000E-04    0.963335E+00
   8   -0.434347E-06    0.674031E+03  0.644402E-09 0.100000E-04    0.955264E+00
   9   -0.776367E-06    0.630745E+03  0.123087E-08 0.100000E-04    0.949185E+00
  10   -0.575928E-07    0.600680E+03  0.958793E-10 0.100000E-04    0.364012E+00
  11    0.204066E-07    0.586357E+03 -0.348024E-10 0.100000E-04    0.593714E+00
  12   -0.110958E-05    0.578894E+03  0.191673E-08 0.100000E-04    0.951046E+00
  13    0.470009E-07    0.564831E+03 -0.832123E-10 0.100000E-04    0.947294E+00
  14    0.466734E-06    0.487447E+03 -0.957507E-09 0.100000E-04    0.953378E+00
  15   -0.469586E-06    0.460583E+03  0.101955E-08 0.100000E-04    0.939589E+00
  16   -0.153544E-06    0.459762E+03  0.333964E-09 0.100000E-04    0.798779E+00
  17   -0.650188E-06    0.441653E+03  0.147217E-08 0.100000E-04    0.914075E+00
  18   -0.452365E-06    0.429408E+03  0.105346E-08 0.100000E-04    0.934045E+00
  19   -0.110529E-06    0.421893E+03  0.261984E-09 0.100000E-04    0.776601E+00
  20   -0.412799E-06    0.407913E+03  0.101198E-08 0.100000E-04    0.932034E+00
  21   -0.470249E-06    0.396326E+03  0.118652E-08 0.100000E-04    0.926303E+00
  22   -0.658028E-06    0.387440E+03  0.169840E-08 0.100000E-04    0.984957E+00
  23    0.885522E-06    0.370039E+03 -0.239305E-08 0.100000E-04    0.933757E+00
  24   -0.450007E-06    0.360571E+03  0.124804E-08 0.100000E-04    0.978660E+00
  25   -0.421164E-07    0.349331E+03  0.120563E-09 0.100000E-04    0.580330E+00
  26   -0.426343E-10    0.335310E+03  0.127149E-12 0.109000E-04    0.701488E-03
  27    0.419314E-06    0.329321E+03 -0.127327E-08 0.100000E-04    0.876562E+00
  28   -0.442056E-06    0.321826E+03  0.137359E-08 0.100000E-04    0.880181E+00
  29   -0.159608E-06    0.319139E+03  0.500121E-09 0.109000E-04    0.189536E+00
  30   -0.145701E-05    0.309371E+03  0.470960E-08 0.100000E-04    0.946215E+00
  31   -0.110525E-05    0.300806E+03  0.367429E-08 0.100000E-04    0.954903E+00
  32   -0.130596E-05    0.290602E+03  0.449398E-08 0.100000E-04    0.962664E+00
  33   -0.744876E-07    0.279023E+03  0.266959E-09 0.100000E-04    0.103225E+01
  34    0.749313E-08    0.272745E+03 -0.274731E-10 0.109000E-04    0.153848E+00
  35    0.108847E-05    0.268543E+03 -0.405325E-08 0.100000E-04    0.961939E+00
  36    0.129598E-05    0.264960E+03 -0.489123E-08 0.100000E-04    0.984890E+00
  37   -0.556225E-06    0.263848E+03  0.210813E-08 0.100000E-04    0.903993E+00
  38   -0.142199E-06    0.253204E+03  0.561597E-09 0.100000E-04    0.980324E+00
  39   -0.341055E-06    0.241579E+03  0.141177E-08 0.100000E-04    0.892548E+00
  40   -0.129902E-05    0.240782E+03  0.539498E-08 0.100000E-04    0.989603E+00
  41   -0.999692E-06    0.234028E+03  0.427168E-08 0.100000E-04    0.984686E+00
  42   -0.180653E-05    0.227526E+03  0.793991E-08 0.100000E-04    0.953832E+00
  43   -0.227498E-07    0.217147E+03  0.104766E-09 0.100000E-04    0.607703E+00
  44   -0.206782E-05    0.214895E+03  0.962247E-08 0.100000E-04    0.971049E+00
  45    0.709954E-06    0.213255E+03 -0.332913E-08 0.100000E-04    0.996934E+00
  46    0.110747E-05    0.207686E+03 -0.533245E-08 0.100000E-04    0.995042E+00
  47   -0.787324E-06    0.202991E+03  0.387862E-08 0.100000E-04    0.977308E+00
  48   -0.132224E-05    0.195417E+03  0.676621E-08 0.100000E-04    0.912800E+00
  49    0.101527E-05    0.194849E+03 -0.521055E-08 0.100000E-04    0.957538E+00
  50    0.145648E-05    0.191371E+03 -0.761076E-08 0.100000E-04    0.885096E+00
  51    0.258180E-06    0.182973E+03 -0.141103E-08 0.100000E-04    0.853469E+00
  52   -0.655971E-06    0.174372E+03  0.376191E-08 0.100000E-04    0.912500E+00
  53    0.917808E-07    0.172342E+03 -0.532552E-09 0.100000E-04    0.811829E+00
  54   -0.209994E-06    0.168221E+03  0.124832E-08 0.100000E-04    0.947313E+00
  55   -0.849429E-06    0.163215E+03  0.520434E-08 0.100000E-04    0.990627E+00
  56    0.141503E-05    0.156870E+03 -0.902044E-08 0.100000E-04    0.973447E+00
  57   -0.429131E-06    0.154922E+03  0.276999E-08 0.100000E-04    0.866308E+00
  58    0.927541E-06    0.152252E+03 -0.609215E-08 0.100000E-04    0.988572E+00
  59   -0.651015E-06    0.146654E+03  0.443913E-08 0.100000E-04    0.989993E+00
  60   -0.252621E-06    0.143340E+03  0.176239E-08 0.100000E-04    0.773142E+00
  61   -0.110853E-05    0.138103E+03  0.802686E-08 0.100000E-04    0.830689E+00
  62    0.994913E-06    0.135873E+03 -0.732236E-08 0.100000E-04    0.958950E+00
  63    0.227026E-05    0.130286E+03 -0.174252E-07 0.100000E-04    0.910034E+00
  64   -0.231162E-06    0.128844E+03  0.179412E-08 0.109000E-04    0.157037E-01
  65    0.146504E-05    0.126902E+03 -0.115446E-07 0.100000E-04    0.900450E+00
  66   -0.730764E-06    0.124052E+03  0.589077E-08 0.100000E-04    0.896963E+00
  67    0.196516E-05    0.120015E+03 -0.163743E-07 0.100000E-04    0.958776E+00
  68    0.484439E-06    0.118170E+03 -0.409951E-08 0.100000E-04    0.935167E+00
  69   -0.884904E-07    0.116830E+03  0.757432E-09 0.100000E-04    0.408149E+00
  70   -0.143712E-05    0.110368E+03  0.130212E-07 0.100000E-04    0.947391E+00
  71   -0.769282E-06    0.106823E+03  0.720147E-08 0.100000E-04    0.918339E+00
  72   -0.878906E-06    0.104458E+03  0.841398E-08 0.100000E-04    0.863982E+00
  73    0.197932E-06    0.102857E+03 -0.192435E-08 0.100000E-04    0.759313E+00
  74    0.222705E-07    0.995111E+02 -0.223799E-09 0.100000E-04    0.405777E+00
  75   -0.421457E-07    0.960865E+02  0.438622E-09 0.100000E-04    0.259331E+00
  76    0.228454E-06    0.940990E+02 -0.242781E-08 0.100000E-04    0.871863E+00
  77    0.147893E-05    0.919608E+02 -0.160822E-07 0.100000E-04    0.968166E+00
  78    0.866519E-06    0.912355E+02 -0.949761E-08 0.100000E-04    0.958849E+00
  79   -0.750175E-06    0.884093E+02  0.848525E-08 0.100000E-04    0.956260E+00
  80   -0.574177E-06    0.856149E+02  0.670652E-08 0.100000E-04    0.914740E+00
  81    0.131076E-05    0.808362E+02 -0.162150E-07 0.100000E-04    0.983186E+00
  82   -0.134444E-05    0.805149E+02  0.166981E-07 0.100000E-04    0.937195E+00
  83    0.207144E-06    0.779525E+02 -0.265731E-08 0.100000E-04    0.785861E+00
  84    0.585003E-06    0.732810E+02 -0.798302E-08 0.100000E-04    0.497147E+00
  85    0.231691E-05    0.725451E+02 -0.319375E-07 0.100000E-04    0.905400E+00
  86    0.669432E-06    0.679117E+02 -0.985739E-08 0.100000E-04    0.839352E+00
  87   -0.109125E-05    0.647447E+02  0.168546E-07 0.100000E-04    0.769007E+00
  88   -0.114845E-05    0.613405E+02  0.187226E-07 0.100000E-04    0.965844E+00
  89    0.217703E-05    0.598321E+02 -0.363857E-07 0.100000E-04    0.959104E+00
  90   -0.231192E-05    0.594024E+02  0.389196E-07 0.100000E-04    0.959403E+00
  91   -0.315004E-05    0.581354E+02  0.541845E-07 0.100000E-04    0.893954E+00
  92    0.384935E-05    0.558700E+02 -0.688983E-07 0.100000E-04    0.933203E+00
  93   -0.339865E-05    0.524438E+02  0.648056E-07 0.100000E-04    0.966229E+00
  94    0.568692E-06    0.520223E+02 -0.109317E-07 0.100000E-04    0.890077E+00
  95   -0.221044E-05    0.502528E+02  0.439865E-07 0.100000E-04    0.904569E+00
  96    0.131009E-05    0.461497E+02 -0.283879E-07 0.100000E-04    0.879603E+00
  97   -0.357812E-05    0.433520E+02  0.825365E-07 0.100000E-04    0.889140E+00
  98   -0.836141E-06    0.409186E+02  0.204343E-07 0.100000E-04    0.703381E+00
  99    0.239714E-05    0.378670E+02 -0.633042E-07 0.100000E-04    0.818560E+00
 100    0.177476E-05    0.362011E+02 -0.490250E-07 0.100000E-04    0.892038E+00
 101   -0.116774E-04    0.322609E+02  0.361969E-06 0.100000E-04    0.922987E+00
 102   -0.424587E-06    0.289084E+02  0.146873E-07 0.100000E-04    0.136191E+01
 103   -0.267085E-05    0.284539E+02  0.938659E-07 0.100000E-04    0.971402E+00
 104   -0.999477E-06    0.263046E+02  0.379963E-07 0.100000E-04    0.667013E+00
 105   -0.671141E-05    0.233310E+02  0.287661E-06 0.100000E-04    0.914170E+00
 106    0.550794E-05    0.213317E+02 -0.258204E-06 0.100000E-04    0.965365E+00
 107   -0.229930E-04    0.198520E+02  0.115822E-05 0.100000E-04    0.907310E+00
 108   -0.255534E-04    0.164537E+02  0.155305E-05 0.100000E-04    0.920688E+00
 109    0.585826E-05    0.139099E+02 -0.421159E-06 0.100000E-04    0.979855E+00
 110   -0.111903E-04    0.122437E+02  0.913963E-06 0.100000E-04    0.852891E+00
 111   -0.163990E-05    0.100889E+02  0.162545E-06 0.100000E-04    0.828526E+00
 112    0.320476E-01    0.909366E+01 -0.100000E-04 0.100000E-04    0.633731E+00
 113    0.973690E-01    0.575085E+01 -0.211107E-04 0.211107E-04    0.225810E+00
 114    0.913564E+00    0.316353E+01  0.100000E-04 0.100000E-04    0.868641E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2111071991E-04    0.2680335596    

 Beginning of optimization cycle  626.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993178300
 potential> RMS force:                                               0.0861015189   |gradient|=.9193126549    
 Eigenvalues of the Hessian matrix:
   746.75435    674.02991    630.74762    600.67760    586.35681    578.89387 
   564.82717    487.44649    460.58191    459.76118    441.65282    429.40936 
   421.89222    407.91105    396.32524    387.43881    370.03968    360.57151 
   349.33007    335.31087    329.32189    321.82530    319.13954    309.36989 
   300.80536    290.60226    279.02471    272.74501    268.54274    264.96045 
   263.84853    253.20385    241.57953    240.78277    234.02829    227.52603 
   217.14814    214.89494    213.25474    207.68609    202.99026    195.41658 
   194.84899    191.37183    182.97418    174.37231    172.34180    168.22132 
   163.21513    156.86959    154.92207    152.25163    146.65313    143.33942 
   138.10351    135.87319    130.28609    128.84417    126.90256    124.05127 
   120.01505    118.17027    116.82912    110.36786    106.82283    104.45807 
   102.85687     99.51102     96.08630     94.09880     91.96036     91.23573 
    88.40874     85.61515     80.83631     80.51561     77.95227     73.28076 
    72.54450     67.91145     64.74427     61.33999     59.83182     59.40251 
    58.13536     55.86975     52.44369     52.02195     50.25334     46.14931 
    43.35258     40.91868     37.86699     36.20077     32.26051     28.90871 
    28.45392     26.30488     23.33086     21.33198     19.85189     16.45362 
    13.90993     12.24372     10.08879      9.09517      5.75103      3.16323 
overlap for current and previous eigenvector    109 is         0.9999999889
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999679
overlap for current and previous eigenvector    112 is         0.9999999337
overlap for current and previous eigenvector    113 is         0.9999999334
overlap for current and previous eigenvector    114 is         0.9999999665
J1,K1,R1,R2,RAT=   7   7   -0.1030814324E-01     2.010297678        0.9896918568    
FOB,PFOB,DIAG,PSTEP=   -0.1717532898E-06   -0.1700008871E-06     746.7543504        0.2276542166E-09
J1,K1,R1,R2,RAT=   8   8    0.5113055379E-01     1.948873206        0.9488694462    
FOB,PFOB,DIAG,PSTEP=   -0.4121388590E-06   -0.4343472318E-06     674.0299112        0.6444022856E-09
J1,K1,R1,R2,RAT=   9   9    0.5594168717E-01     1.944048856        0.9440488565    
FOB,PFOB,DIAG,PSTEP=   -0.7329356084E-06   -0.7763670991E-06     630.7476167        0.1230873886E-08
J1,K1,R1,R2,RAT=  10  10    0.4958152336         1.504192451        0.5041847664    
FOB,PFOB,DIAG,PSTEP=   -0.2903750727E-07   -0.5759277053E-07     600.6775955        0.9587930310E-10
J1,K1,R1,R2,RAT=  11  11    0.1984485234         1.801553315        0.8015514766    
FOB,PFOB,DIAG,PSTEP=    0.1635697884E-07    0.2040664336E-07     586.3568127       -0.3480240046E-10
J1,K1,R1,R2,RAT= 109 109    0.5161744652E-01     1.948374165        0.9483741646    
FOB,PFOB,DIAG,PSTEP=    0.5555871092E-05    0.5858260825E-05     13.90992787       -0.4211585747E-06
J1,K1,R1,R2,RAT= 110 110    0.1514158143         1.848581190        0.8485811904    
FOB,PFOB,DIAG,PSTEP=   -0.9495903170E-05   -0.1119029304E-04     12.24372194        0.9139630787E-06
J1,K1,R1,R2,RAT= 111 111    0.3803639891         1.619650134        0.6196360109    
FOB,PFOB,DIAG,PSTEP=   -0.1016143729E-05   -0.1639897143E-05     10.08878750        0.1625453567E-06
J1,K1,R1,R2,RAT= 112 112    0.4053062826         704.3123305        0.5946937174    
FOB,PFOB,DIAG,PSTEP=    0.3201077214E-01    0.3204763544E-01     9.095170538       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8334420207         1604.824145        0.1665579793    
FOB,PFOB,DIAG,PSTEP=    0.9747017982E-01    0.9736899294E-01     5.751031990       -0.2111071991E-04
J1,K1,R1,R2,RAT= 114 114    0.1899750627        -57761.70568        0.8100249373    
FOB,PFOB,DIAG,PSTEP=    0.9135702658        0.9135642564         3.163228130        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03201      0.09747      0.91357 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3819807845
 Log product of positive Hessian eigenvalues =          519.0733155388
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1632281298
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000013
 Unscaled step for mode   61=        0.0000000066
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000160
 Unscaled step for mode   64=        0.0000000009
 Unscaled step for mode   65=       -0.0000000102
 Unscaled step for mode   66=        0.0000000052
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000002
 Unscaled step for mode   70=        0.0000000123
 Unscaled step for mode   71=       -0.0000000066
 Unscaled step for mode   72=        0.0000000099
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000007
 Unscaled step for mode   75=        0.0000000020
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=       -0.0000000092
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000061
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000155
 Unscaled step for mode   83=       -0.0000000034
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=        0.0000000283
 Unscaled step for mode   86=        0.0000000083
 Unscaled step for mode   87=       -0.0000000135
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000342
 Unscaled step for mode   90=        0.0000000378
 Unscaled step for mode   91=        0.0000000498
 Unscaled step for mode   92=       -0.0000000652
 Unscaled step for mode   93=        0.0000000636
 Unscaled step for mode   94=       -0.0000000131
 Unscaled step for mode   95=        0.0000000387
 Unscaled step for mode   96=       -0.0000000262
 Unscaled step for mode   97=        0.0000000726
 Unscaled step for mode   98=        0.0000000136
 Unscaled step for mode   99=       -0.0000000513
 Unscaled step for mode  100=       -0.0000000435
 Unscaled step for mode  101=        0.0000003396
 Unscaled step for mode  102=        0.0000000048
 Unscaled step for mode  103=        0.0000000899
 Unscaled step for mode  104=        0.0000000503
 Unscaled step for mode  105=        0.0000002665
 Unscaled step for mode  106=       -0.0000002476
 Unscaled step for mode  107=        0.0000010650
 Unscaled step for mode  108=        0.0000014424
 Unscaled step for mode  109=       -0.0000003994
 Unscaled step for mode  110=        0.0000007756
 Unscaled step for mode  111=        0.0000001007
 Unscaled step for mode  112=       -0.0035194915
 Unscaled step for mode  113=       -0.0169434283
 Unscaled step for mode  114=        0.2680571746
 Largest modulus ratio of non-zero e/values=           236.0735046    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.806213E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.164164E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.285756E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.349384E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.142356E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.410106E-14    0.974306E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171753E-06    0.746754E+03  0.230000E-09 0.100000E-04    0.989692E+00
   8   -0.412139E-06    0.674030E+03  0.611455E-09 0.100000E-04    0.948869E+00
   9   -0.732936E-06    0.630748E+03  0.116201E-08 0.100000E-04    0.944049E+00
  10   -0.290375E-07    0.600678E+03  0.483413E-10 0.100000E-04    0.504185E+00
  11    0.163570E-07    0.586357E+03 -0.278959E-10 0.100000E-04    0.801551E+00
  12   -0.104420E-05    0.578894E+03  0.180379E-08 0.100000E-04    0.941079E+00
  13    0.507919E-07    0.564827E+03 -0.899247E-10 0.100000E-04    0.919340E+00
  14    0.434682E-06    0.487446E+03 -0.891753E-09 0.100000E-04    0.931328E+00
  15   -0.440181E-06    0.460582E+03  0.955707E-09 0.100000E-04    0.937382E+00
  16   -0.125167E-06    0.459761E+03  0.272242E-09 0.100000E-04    0.815184E+00
  17   -0.589033E-06    0.441653E+03  0.133370E-08 0.100000E-04    0.905943E+00
  18   -0.420420E-06    0.429409E+03  0.979065E-09 0.100000E-04    0.929376E+00
  19   -0.150444E-06    0.421892E+03  0.356594E-09 0.100000E-04    0.638876E+00
  20   -0.380240E-06    0.407911E+03  0.932164E-09 0.100000E-04    0.921127E+00
  21   -0.431365E-06    0.396325E+03  0.108841E-08 0.100000E-04    0.917313E+00
  22   -0.651013E-06    0.387439E+03  0.168030E-08 0.100000E-04    0.989340E+00
  23    0.815857E-06    0.370040E+03 -0.220478E-08 0.100000E-04    0.921327E+00
  24   -0.438408E-06    0.360572E+03  0.121587E-08 0.100000E-04    0.974226E+00
  25   -0.836004E-07    0.349330E+03  0.239316E-09 0.109000E-04    0.150151E-01
  26   -0.581203E-07    0.335311E+03  0.173333E-09 0.100000E-04    0.136123E+04
  27    0.373350E-06    0.329322E+03 -0.113369E-08 0.100000E-04    0.890377E+00
  28   -0.396192E-06    0.321825E+03  0.123108E-08 0.100000E-04    0.896249E+00
  29   -0.849724E-07    0.319140E+03  0.266255E-09 0.100000E-04    0.532379E+00
  30   -0.140040E-05    0.309370E+03  0.452662E-08 0.100000E-04    0.961143E+00
  31   -0.105467E-05    0.300805E+03  0.350614E-08 0.100000E-04    0.954234E+00
  32   -0.126367E-05    0.290602E+03  0.434845E-08 0.100000E-04    0.967617E+00
  33   -0.233604E-07    0.279025E+03  0.837215E-10 0.100000E-04    0.313607E+00
  34   -0.452915E-07    0.272745E+03  0.166058E-09 0.100000E-04    0.404439E+01
  35    0.105275E-05    0.268543E+03 -0.392025E-08 0.100000E-04    0.967187E+00
  36    0.127298E-05    0.264960E+03 -0.480440E-08 0.100000E-04    0.982246E+00
  37   -0.498179E-06    0.263849E+03  0.188813E-08 0.100000E-04    0.895639E+00
  38   -0.144675E-06    0.253204E+03  0.571376E-09 0.100000E-04    0.982589E+00
  39   -0.384692E-06    0.241580E+03  0.159240E-08 0.100000E-04    0.872054E+00
  40   -0.127940E-05    0.240783E+03  0.531350E-08 0.100000E-04    0.984895E+00
  41   -0.100674E-05    0.234028E+03  0.430177E-08 0.100000E-04    0.992953E+00
  42   -0.173919E-05    0.227526E+03  0.764393E-08 0.100000E-04    0.962720E+00
  43   -0.189433E-07    0.217148E+03  0.872367E-10 0.100000E-04    0.832675E+00
  44   -0.199748E-05    0.214895E+03  0.929517E-08 0.100000E-04    0.965985E+00
  45    0.721233E-06    0.213255E+03 -0.338203E-08 0.100000E-04    0.984113E+00
  46    0.108715E-05    0.207686E+03 -0.523457E-08 0.100000E-04    0.981643E+00
  47   -0.759087E-06    0.202990E+03  0.373952E-08 0.100000E-04    0.964135E+00
  48   -0.122433E-05    0.195417E+03  0.626521E-08 0.100000E-04    0.925950E+00
  49    0.962003E-06    0.194849E+03 -0.493717E-08 0.100000E-04    0.947531E+00
  50    0.128113E-05    0.191372E+03 -0.669447E-08 0.100000E-04    0.879603E+00
  51    0.223683E-06    0.182974E+03 -0.122248E-08 0.100000E-04    0.866374E+00
  52   -0.607678E-06    0.174372E+03  0.348495E-08 0.100000E-04    0.926372E+00
  53    0.118515E-06    0.172342E+03 -0.687674E-09 0.100000E-04    0.708718E+00
  54   -0.225786E-06    0.168221E+03  0.134220E-08 0.100000E-04    0.924795E+00
  55   -0.855122E-06    0.163215E+03  0.523923E-08 0.100000E-04    0.993297E+00
  56    0.137092E-05    0.156870E+03 -0.873924E-08 0.100000E-04    0.968824E+00
  57   -0.356490E-06    0.154922E+03  0.230109E-08 0.100000E-04    0.830718E+00
  58    0.930231E-06    0.152252E+03 -0.610983E-08 0.100000E-04    0.997099E+00
  59   -0.648670E-06    0.146653E+03  0.442316E-08 0.100000E-04    0.996399E+00
  60   -0.187130E-06    0.143339E+03  0.130550E-08 0.100000E-04    0.740752E+00
  61   -0.913278E-06    0.138104E+03  0.661299E-08 0.100000E-04    0.823854E+00
  62    0.960392E-06    0.135873E+03 -0.706830E-08 0.100000E-04    0.965303E+00
  63    0.207945E-05    0.130286E+03 -0.159607E-07 0.100000E-04    0.915953E+00
  64   -0.117246E-06    0.128844E+03  0.909984E-09 0.100000E-04    0.507201E+00
  65    0.129216E-05    0.126903E+03 -0.101823E-07 0.100000E-04    0.881994E+00
  66   -0.646609E-06    0.124051E+03  0.521243E-08 0.100000E-04    0.884839E+00
  67    0.188251E-05    0.120015E+03 -0.156856E-07 0.100000E-04    0.957939E+00
  68    0.449922E-06    0.118170E+03 -0.380740E-08 0.100000E-04    0.928746E+00
  69   -0.247971E-07    0.116829E+03  0.212251E-09 0.100000E-04    0.280220E+00
  70   -0.135279E-05    0.110368E+03  0.122571E-07 0.100000E-04    0.941313E+00
  71    0.702896E-06    0.106823E+03 -0.658001E-08 0.100000E-04    0.913703E+00
  72   -0.102934E-05    0.104458E+03  0.985405E-08 0.100000E-04    0.828846E+00
  73    0.150616E-06    0.102857E+03 -0.146433E-08 0.100000E-04    0.760947E+00
  74    0.712760E-07    0.995110E+02 -0.716262E-09 0.100000E-04    0.120046E+01
  75   -0.190501E-06    0.960863E+02  0.198260E-08 0.100000E-04    0.252006E+01
  76    0.196475E-06    0.940988E+02 -0.208797E-08 0.100000E-04    0.860019E+00
  77   -0.154993E-05    0.919604E+02  0.168543E-07 0.100000E-04    0.951996E+00
  78    0.835935E-06    0.912357E+02 -0.916236E-08 0.100000E-04    0.964700E+00
  79   -0.736820E-06    0.884087E+02  0.833424E-08 0.100000E-04    0.982198E+00
  80   -0.524000E-06    0.856151E+02  0.612042E-08 0.100000E-04    0.912604E+00
  81    0.129981E-05    0.808363E+02 -0.160795E-07 0.100000E-04    0.991647E+00
  82   -0.125100E-05    0.805156E+02  0.155374E-07 0.100000E-04    0.930483E+00
  83    0.265296E-06    0.779523E+02 -0.340332E-08 0.100000E-04    0.719266E+00
  84    0.353579E-06    0.732808E+02 -0.482499E-08 0.100000E-04    0.604404E+00
  85   -0.205279E-05    0.725445E+02  0.282970E-07 0.100000E-04    0.886004E+00
  86   -0.562599E-06    0.679114E+02  0.828431E-08 0.100000E-04    0.840412E+00
  87    0.876538E-06    0.647443E+02 -0.135385E-07 0.100000E-04    0.803242E+00
  88   -0.119225E-05    0.613400E+02  0.194367E-07 0.100000E-04    0.961865E+00
  89    0.204617E-05    0.598318E+02 -0.341988E-07 0.100000E-04    0.939891E+00
  90   -0.224818E-05    0.594025E+02  0.378466E-07 0.100000E-04    0.972430E+00
  91   -0.289452E-05    0.581354E+02  0.497893E-07 0.100000E-04    0.918884E+00
  92    0.364178E-05    0.558698E+02 -0.651834E-07 0.100000E-04    0.946078E+00
  93   -0.333517E-05    0.524437E+02  0.635953E-07 0.100000E-04    0.981323E+00
  94    0.679854E-06    0.520219E+02 -0.130686E-07 0.100000E-04    0.804528E+00
  95   -0.194589E-05    0.502533E+02  0.387216E-07 0.100000E-04    0.880296E+00
  96    0.121038E-05    0.461493E+02 -0.262275E-07 0.100000E-04    0.923888E+00
  97   -0.314877E-05    0.433526E+02  0.726318E-07 0.100000E-04    0.879983E+00
  98   -0.554920E-06    0.409187E+02  0.135615E-07 0.100000E-04    0.663664E+00
  99    0.194177E-05    0.378670E+02 -0.512788E-07 0.100000E-04    0.810036E+00
 100    0.157457E-05    0.362008E+02 -0.434955E-07 0.100000E-04    0.887200E+00
 101   -0.109555E-04    0.322605E+02  0.339596E-06 0.100000E-04    0.938179E+00
 102   -0.140058E-06    0.289087E+02  0.484483E-08 0.100000E-04    0.329853E+00
 103   -0.255684E-05    0.284539E+02  0.898589E-07 0.100000E-04    0.957310E+00
 104   -0.132288E-05    0.263049E+02  0.502904E-07 0.100000E-04    0.676428E+00
 105   -0.621836E-05    0.233309E+02  0.266530E-06 0.100000E-04    0.926535E+00
 106    0.528136E-05    0.213320E+02 -0.247579E-06 0.100000E-04    0.958841E+00
 107   -0.211415E-04    0.198519E+02  0.106496E-05 0.100000E-04    0.919475E+00
 108   -0.237321E-04    0.164536E+02  0.144236E-05 0.100000E-04    0.928722E+00
 109    0.555587E-05    0.139099E+02 -0.399418E-06 0.100000E-04    0.948374E+00
 110   -0.949590E-05    0.122437E+02  0.775573E-06 0.100000E-04    0.848581E+00
 111   -0.101614E-05    0.100888E+02  0.100720E-06 0.100000E-04    0.619636E+00
 112    0.320108E-01    0.909517E+01 -0.100000E-04 0.100000E-04    0.594694E+00
 113    0.974702E-01    0.575103E+01 -0.230107E-04 0.230107E-04    0.166558E+00
 114    0.913570E+00    0.316323E+01  0.100000E-04 0.100000E-04    0.810025E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2301068470E-04    0.2680571746    

 Beginning of optimization cycle  627.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993112552
 potential> RMS force:                                               0.0861028525   |gradient|=.9193268934    
 Eigenvalues of the Hessian matrix:
   746.75835    674.02843    630.75070    600.67531    586.35621    578.89408 
   564.82291    487.44604    460.58056    459.76061    441.65219    429.41079 
   421.89159    407.90934    396.32465    387.43735    370.04015    360.57171 
   349.32938    335.31157    329.32280    321.82500    319.14032    309.36869 
   300.80481    290.60233    279.02629    272.74550    268.54304    264.96079 
   263.84921    253.20327    241.57991    240.78318    234.02915    227.52641 
   217.14895    214.89507    213.25444    207.68662    202.98983    195.41574 
   194.84941    191.37231    182.97498    174.37309    172.34205    168.22163 
   163.21479    156.86937    154.92261    152.25144    146.65250    143.33898 
   138.10407    135.87319    130.28580    128.84440    126.90275    124.05008 
   120.01523    118.17040    116.82866    110.36811    106.82264    104.45829 
   102.85694     99.51094     96.08607     94.09855     91.95995     91.23597 
    88.40820     85.61547     80.83640     80.51633     77.95203     73.28051 
    72.54388     67.91110     64.74378     61.33953     59.83156     59.40260 
    58.13530     55.86950     52.44357     52.02154     50.25396     46.14885 
    43.35318     40.91879     37.86692     36.20035     32.26012     28.90905 
    28.45398     26.30518     23.33077     21.33220     19.85180     16.45351 
    13.90999     12.24374     10.08872      9.09677      5.75123      3.16292 
overlap for current and previous eigenvector    109 is         0.9999999874
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999622
overlap for current and previous eigenvector    112 is         0.9999999244
overlap for current and previous eigenvector    113 is         0.9999999261
overlap for current and previous eigenvector    114 is         0.9999999624
J1,K1,R1,R2,RAT=   7   7    0.4426050641E-02     1.995563248        0.9955632477    
FOB,PFOB,DIAG,PSTEP=   -0.1709930970E-06   -0.1717532898E-06     746.7583462        0.2299997177E-09
J1,K1,R1,R2,RAT=   8   8   -0.4406605711E-01     2.044070451        0.9559339429    
FOB,PFOB,DIAG,PSTEP=   -0.4303001536E-06   -0.4121388590E-06     674.0284305        0.6114548512E-09
J1,K1,R1,R2,RAT=   9   9   -0.4732839416E-01     2.047318630        0.9526716058    
FOB,PFOB,DIAG,PSTEP=   -0.7676244431E-06   -0.7329356084E-06     630.7506960        0.1162010904E-08
J1,K1,R1,R2,RAT=  10  10   -0.8336958665         2.833703480        0.1663041335    
FOB,PFOB,DIAG,PSTEP=   -0.5324586491E-07   -0.2903750727E-07     600.6753090        0.4834125243E-10
J1,K1,R1,R2,RAT=  11  11   -0.1408408163         2.140842886        0.8591591837    
FOB,PFOB,DIAG,PSTEP=    0.1866070671E-07    0.1635697884E-07     586.3562058       -0.2789594746E-10
J1,K1,R1,R2,RAT= 109 109   -0.4314022580E-01     2.043131647        0.9568597742    
FOB,PFOB,DIAG,PSTEP=    0.5795553654E-05    0.5555871092E-05     13.90998754       -0.3994176779E-06
J1,K1,R1,R2,RAT= 110 110   -0.1475471438         2.147544118        0.8524528562    
FOB,PFOB,DIAG,PSTEP=   -0.1089699868E-04   -0.9495903170E-05     12.24374047        0.7755732461E-06
J1,K1,R1,R2,RAT= 111 111   -0.5941210751         2.594134664        0.4058789249    
FOB,PFOB,DIAG,PSTEP=   -0.1619852032E-05   -0.1016143729E-05     10.08871895        0.1007201042E-06
J1,K1,R1,R2,RAT= 112 112    0.3740449404         703.4092661        0.6259550596    
FOB,PFOB,DIAG,PSTEP=    0.3197674614E-01    0.3201077214E-01     9.096769316       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7815058369         1473.811749        0.2184941631    
FOB,PFOB,DIAG,PSTEP=    0.9757360406E-01    0.9747017982E-01     5.751227640       -0.2301068470E-04
J1,K1,R1,R2,RAT= 114 114    0.1416161027        -57767.73133        0.8583838973    
FOB,PFOB,DIAG,PSTEP=    0.9135747450        0.9135702658         3.162916335        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00003 
     0.00001     -0.00001     -0.00000      0.03198      0.09757      0.91357 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3819608885
 Log product of positive Hessian eigenvalues =          519.0733929110
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1629163353
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000047
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000014
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000079
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000096
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000039
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000075
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000090
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=        0.0000000078
 Unscaled step for mode   62=       -0.0000000072
 Unscaled step for mode   63=       -0.0000000172
 Unscaled step for mode   64=        0.0000000016
 Unscaled step for mode   65=       -0.0000000113
 Unscaled step for mode   66=        0.0000000058
 Unscaled step for mode   67=       -0.0000000162
 Unscaled step for mode   68=       -0.0000000041
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=        0.0000000129
 Unscaled step for mode   71=       -0.0000000071
 Unscaled step for mode   72=        0.0000000086
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=        0.0000000007
 Unscaled step for mode   76=       -0.0000000024
 Unscaled step for mode   77=       -0.0000000162
 Unscaled step for mode   78=        0.0000000094
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000066
 Unscaled step for mode   81=       -0.0000000162
 Unscaled step for mode   82=        0.0000000165
 Unscaled step for mode   83=       -0.0000000027
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=        0.0000000314
 Unscaled step for mode   86=        0.0000000095
 Unscaled step for mode   87=       -0.0000000163
 Unscaled step for mode   88=        0.0000000188
 Unscaled step for mode   89=       -0.0000000360
 Unscaled step for mode   90=        0.0000000386
 Unscaled step for mode   91=        0.0000000533
 Unscaled step for mode   92=       -0.0000000682
 Unscaled step for mode   93=        0.0000000645
 Unscaled step for mode   94=       -0.0000000112
 Unscaled step for mode   95=        0.0000000432
 Unscaled step for mode   96=       -0.0000000280
 Unscaled step for mode   97=        0.0000000806
 Unscaled step for mode   98=        0.0000000193
 Unscaled step for mode   99=       -0.0000000615
 Unscaled step for mode  100=       -0.0000000481
 Unscaled step for mode  101=        0.0000003577
 Unscaled step for mode  102=        0.0000000130
 Unscaled step for mode  103=        0.0000000932
 Unscaled step for mode  104=        0.0000000398
 Unscaled step for mode  105=        0.0000002841
 Unscaled step for mode  106=       -0.0000002556
 Unscaled step for mode  107=        0.0000011429
 Unscaled step for mode  108=        0.0000015335
 Unscaled step for mode  109=       -0.0000004166
 Unscaled step for mode  110=        0.0000008900
 Unscaled step for mode  111=        0.0000001606
 Unscaled step for mode  112=       -0.0035151327
 Unscaled step for mode  113=       -0.0169608197
 Unscaled step for mode  114=        0.2680811940
 Largest modulus ratio of non-zero e/values=           236.0980396    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.830607E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.208779E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.115946E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.620380E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.573543E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.390488E-14    0.974306E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170993E-06    0.746758E+03  0.228980E-09 0.100000E-04    0.995563E+00
   8   -0.430300E-06    0.674028E+03  0.638401E-09 0.100000E-04    0.955934E+00
   9   -0.767624E-06    0.630751E+03  0.121700E-08 0.100000E-04    0.952672E+00
  10   -0.532459E-07    0.600675E+03  0.886433E-10 0.109000E-04    0.166304E+00
  11    0.186607E-07    0.586356E+03 -0.318249E-10 0.100000E-04    0.859159E+00
  12   -0.109779E-05    0.578894E+03  0.189635E-08 0.100000E-04    0.948687E+00
  13    0.473098E-07    0.564823E+03 -0.837605E-10 0.100000E-04    0.931443E+00
  14    0.462015E-06    0.487446E+03 -0.947827E-09 0.100000E-04    0.937121E+00
  15   -0.463933E-06    0.460581E+03  0.100728E-08 0.100000E-04    0.946041E+00
  16   -0.148609E-06    0.459761E+03  0.323232E-09 0.100000E-04    0.812706E+00
  17   -0.640032E-06    0.441652E+03  0.144918E-08 0.100000E-04    0.913418E+00
  18   -0.445257E-06    0.429411E+03  0.103690E-08 0.100000E-04    0.940924E+00
  19   -0.116359E-06    0.421892E+03  0.275802E-09 0.100000E-04    0.773433E+00
  20   -0.406720E-06    0.407909E+03  0.997084E-09 0.100000E-04    0.930360E+00
  21   -0.462867E-06    0.396325E+03  0.116790E-08 0.100000E-04    0.926973E+00
  22   -0.654989E-06    0.387437E+03  0.169057E-08 0.100000E-04    0.993894E+00
  23    0.872801E-06    0.370040E+03 -0.235867E-08 0.100000E-04    0.930203E+00
  24   -0.446549E-06    0.360572E+03  0.123845E-08 0.100000E-04    0.981432E+00
  25   -0.487055E-07    0.349329E+03  0.139426E-09 0.100000E-04    0.582598E+00
  26   -0.836921E-08    0.335312E+03  0.249595E-10 0.109000E-04    0.143996E+00
  27    0.411341E-06    0.329323E+03 -0.124905E-08 0.100000E-04    0.898243E+00
  28   -0.433215E-06    0.321825E+03  0.134612E-08 0.100000E-04    0.906554E+00
  29   -0.145614E-06    0.319140E+03  0.456271E-09 0.100000E-04    0.286334E+00
  30   -0.144558E-05    0.309369E+03  0.467268E-08 0.100000E-04    0.967738E+00
  31   -0.109628E-05    0.300805E+03  0.364449E-08 0.100000E-04    0.960544E+00
  32   -0.129702E-05    0.290602E+03  0.446323E-08 0.100000E-04    0.973604E+00
  33   -0.665605E-07    0.279026E+03  0.238546E-09 0.100000E-04    0.849283E+00
  34   -0.105645E-08    0.272745E+03  0.387340E-11 0.109000E-04    0.233238E-01
  35    0.107925E-05    0.268543E+03 -0.401890E-08 0.100000E-04    0.974835E+00
  36    0.129116E-05    0.264961E+03 -0.487303E-08 0.100000E-04    0.985713E+00
  37   -0.546775E-06    0.263849E+03  0.207230E-08 0.100000E-04    0.902453E+00
  38   -0.141520E-06    0.253203E+03  0.558919E-09 0.100000E-04    0.978196E+00
  39   -0.349813E-06    0.241580E+03  0.144802E-08 0.100000E-04    0.909330E+00
  40   -0.129404E-05    0.240783E+03  0.537431E-08 0.100000E-04    0.988554E+00
  41   -0.999720E-06    0.234029E+03  0.427178E-08 0.100000E-04    0.993024E+00
  42   -0.179116E-05    0.227526E+03  0.787233E-08 0.100000E-04    0.970118E+00
  43   -0.200314E-07    0.217149E+03  0.922474E-10 0.100000E-04    0.942559E+00
  44   -0.205309E-05    0.214895E+03  0.955393E-08 0.100000E-04    0.972161E+00
  45    0.709199E-06    0.213254E+03 -0.332560E-08 0.100000E-04    0.983314E+00
  46    0.110414E-05    0.207687E+03 -0.531635E-08 0.100000E-04    0.984374E+00
  47   -0.782721E-06    0.202990E+03  0.385596E-08 0.100000E-04    0.968865E+00
  48   -0.130238E-05    0.195416E+03  0.666467E-08 0.100000E-04    0.936245E+00
  49    0.100748E-05    0.194849E+03 -0.517055E-08 0.100000E-04    0.952728E+00
  50    0.142591E-05    0.191372E+03 -0.745100E-08 0.100000E-04    0.886990E+00
  51    0.252288E-06    0.182975E+03 -0.137881E-08 0.100000E-04    0.872119E+00
  52   -0.646049E-06    0.174373E+03  0.370498E-08 0.100000E-04    0.936856E+00
  53    0.980560E-07    0.172342E+03 -0.568961E-09 0.100000E-04    0.827370E+00
  54   -0.213030E-06    0.168222E+03  0.126636E-08 0.100000E-04    0.943497E+00
  55   -0.848123E-06    0.163215E+03  0.519636E-08 0.100000E-04    0.991814E+00
  56    0.140453E-05    0.156869E+03 -0.895348E-08 0.100000E-04    0.975487E+00
  57   -0.416730E-06    0.154923E+03  0.268992E-08 0.100000E-04    0.831019E+00
  58    0.927676E-06    0.152251E+03 -0.609305E-08 0.100000E-04    0.997252E+00
  59   -0.648025E-06    0.146652E+03  0.441878E-08 0.100000E-04    0.999005E+00
  60   -0.240529E-06    0.143339E+03  0.167804E-08 0.100000E-04    0.714642E+00
  61   -0.107619E-05    0.138104E+03  0.779260E-08 0.100000E-04    0.821619E+00
  62    0.984419E-06    0.135873E+03 -0.724513E-08 0.100000E-04    0.974982E+00
  63    0.223749E-05    0.130286E+03 -0.171737E-07 0.100000E-04    0.924002E+00
  64   -0.212146E-06    0.128844E+03  0.164653E-08 0.109000E-04    0.190592E+00
  65    0.143529E-05    0.126903E+03 -0.113101E-07 0.100000E-04    0.889231E+00
  66   -0.719227E-06    0.124050E+03  0.579787E-08 0.100000E-04    0.887694E+00
  67    0.194883E-05    0.120015E+03 -0.162382E-07 0.100000E-04    0.964772E+00
  68    0.478828E-06    0.118170E+03 -0.405201E-08 0.100000E-04    0.935753E+00
  69   -0.794616E-07    0.116829E+03  0.680155E-09 0.100000E-04    0.120449E+01
  70   -0.142117E-05    0.110368E+03  0.128766E-07 0.100000E-04    0.949453E+00
  71    0.757905E-06    0.106823E+03 -0.709499E-08 0.100000E-04    0.921739E+00
  72   -0.900832E-06    0.104458E+03  0.862384E-08 0.100000E-04    0.875155E+00
  73    0.189492E-06    0.102857E+03 -0.184229E-08 0.100000E-04    0.741887E+00
  74    0.306816E-07    0.995109E+02 -0.308324E-09 0.100000E-04    0.430462E+00
  75   -0.657729E-07    0.960861E+02  0.684521E-09 0.100000E-04    0.345262E+00
  76    0.222103E-06    0.940986E+02 -0.236033E-08 0.100000E-04    0.869559E+00
  77    0.149264E-05    0.919600E+02 -0.162315E-07 0.100000E-04    0.963040E+00
  78   -0.856965E-06    0.912360E+02  0.939284E-08 0.100000E-04    0.974842E+00
  79   -0.745852E-06    0.884082E+02  0.843646E-08 0.100000E-04    0.987742E+00
  80   -0.567187E-06    0.856155E+02  0.662482E-08 0.100000E-04    0.917582E+00
  81    0.130676E-05    0.808364E+02 -0.161655E-07 0.100000E-04    0.994655E+00
  82   -0.132903E-05    0.805163E+02  0.165063E-07 0.100000E-04    0.937634E+00
  83    0.213874E-06    0.779520E+02 -0.274366E-08 0.100000E-04    0.806168E+00
  84    0.544915E-06    0.732805E+02 -0.743602E-08 0.100000E-04    0.458857E+00
  85   -0.227465E-05    0.725439E+02  0.313555E-07 0.100000E-04    0.891925E+00
  86   -0.647013E-06    0.679111E+02  0.952736E-08 0.100000E-04    0.849957E+00
  87    0.105720E-05    0.647438E+02 -0.163290E-07 0.100000E-04    0.793890E+00
  88   -0.115048E-05    0.613395E+02  0.187559E-07 0.100000E-04    0.964966E+00
  89    0.215298E-05    0.598316E+02 -0.359840E-07 0.100000E-04    0.947803E+00
  90   -0.229336E-05    0.594026E+02  0.386071E-07 0.100000E-04    0.979906E+00
  91   -0.309584E-05    0.581353E+02  0.532524E-07 0.100000E-04    0.930447E+00
  92    0.380940E-05    0.558695E+02 -0.681838E-07 0.100000E-04    0.953975E+00
  93   -0.338149E-05    0.524436E+02  0.644787E-07 0.100000E-04    0.986111E+00
  94    0.581054E-06    0.520215E+02 -0.111695E-07 0.100000E-04    0.854674E+00
  95   -0.217252E-05    0.502540E+02  0.432307E-07 0.100000E-04    0.883538E+00
  96    0.129212E-05    0.461489E+02 -0.279990E-07 0.100000E-04    0.932468E+00
  97   -0.349591E-05    0.433532E+02  0.806378E-07 0.100000E-04    0.889758E+00
  98   -0.789317E-06    0.409188E+02  0.192898E-07 0.100000E-04    0.577603E+00
  99    0.232952E-05    0.378669E+02 -0.615185E-07 0.100000E-04    0.800314E+00
 100    0.174079E-05    0.362003E+02 -0.480878E-07 0.100000E-04    0.894430E+00
 101   -0.115410E-04    0.322601E+02  0.357747E-06 0.100000E-04    0.946562E+00
 102   -0.375512E-06    0.289090E+02  0.129894E-07 0.100000E-04    0.681101E+00
 103   -0.265216E-05    0.284540E+02  0.932087E-07 0.100000E-04    0.962720E+00
 104   -0.104616E-05    0.263052E+02  0.397700E-07 0.100000E-04    0.790797E+00
 105   -0.662820E-05    0.233308E+02  0.284097E-06 0.100000E-04    0.934093E+00
 106    0.545248E-05    0.213322E+02 -0.255598E-06 0.100000E-04    0.967600E+00
 107   -0.226895E-04    0.198518E+02  0.114295E-05 0.100000E-04    0.926779E+00
 108   -0.252313E-04    0.164535E+02  0.153349E-05 0.100000E-04    0.936827E+00
 109    0.579555E-05    0.139100E+02 -0.416647E-06 0.100000E-04    0.956860E+00
 110   -0.108970E-04    0.122437E+02  0.890006E-06 0.100000E-04    0.852453E+00
 111   -0.161985E-05    0.100887E+02  0.160561E-06 0.100000E-04    0.405879E+00
 112    0.319767E-01    0.909677E+01 -0.100000E-04 0.100000E-04    0.625955E+00
 113    0.975736E-01    0.575123E+01 -0.207303E-04 0.207303E-04    0.218494E+00
 114    0.913575E+00    0.316292E+01  0.100000E-04 0.100000E-04    0.858384E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2073034658E-04    0.2680811940    

 Beginning of optimization cycle  628.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2993044601
 potential> RMS force:                                               0.0861043149   |gradient|=.9193425076    
 Eigenvalues of the Hessian matrix:
   746.76222    674.02719    630.75365    600.67301    586.35568    578.89428 
   564.81894    487.44571    460.57927    459.76007    441.65161    429.41203 
   421.89097    407.90773    396.32410    387.43593    370.04061    360.57186 
   349.32864    335.31221    329.32365    321.82478    319.14095    309.36755 
   300.80421    290.60238    279.02773    272.74595    268.54326    264.96111 
   263.84978    253.20266    241.58019    240.78358    234.02990    227.52672 
   217.14965    214.89521    213.25415    207.68710    202.98941    195.41493 
   194.84977    191.37277    182.97570    174.37382    172.34229    168.22190 
   163.21447    156.86914    154.92312    152.25126    146.65191    143.33859 
   138.10458    135.87318    130.28556    128.84460    126.90295    124.04898 
   120.01542    118.17053    116.82824    110.36835    106.82249    104.45852 
   102.85702     99.51088     96.08587     94.09833     91.95954     91.23618 
    88.40769     85.61577     80.83647     80.51700     77.95181     73.28032 
    72.54332     67.91082     64.74333     61.33907     59.83131     59.40269 
    58.13526     55.86928     52.44347     52.02117     50.25454     46.14844 
    43.35374     40.91890     37.86688     36.20003     32.25975     28.90938 
    28.45404     26.30546     23.33066     21.33245     19.85170     16.45341 
    13.91005     12.24376     10.08865      9.09827      5.75140      3.16262 
overlap for current and previous eigenvector    109 is         0.9999999891
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999684
overlap for current and previous eigenvector    112 is         0.9999999350
overlap for current and previous eigenvector    113 is         0.9999999351
overlap for current and previous eigenvector    114 is         0.9999999675
J1,K1,R1,R2,RAT=   7   7   -0.1155456808E-01     2.011544199        0.9884454319    
FOB,PFOB,DIAG,PSTEP=   -0.1729688586E-06   -0.1709930970E-06     746.7622179        0.2289804966E-09
J1,K1,R1,R2,RAT=   8   8    0.5060799482E-01     1.949395683        0.9493920052    
FOB,PFOB,DIAG,PSTEP=   -0.4085235657E-06   -0.4303001536E-06     674.0271910        0.6384005988E-09
J1,K1,R1,R2,RAT=   9   9    0.5496116136E-01     1.945029476        0.9450294761    
FOB,PFOB,DIAG,PSTEP=   -0.7254347147E-06   -0.7676244431E-06     630.7536487        0.1217001341E-08
J1,K1,R1,R2,RAT=  10  10    0.5263788124         1.473628852        0.4736211876    
FOB,PFOB,DIAG,PSTEP=   -0.2521847719E-07   -0.5324586491E-07     600.6730070        0.8864333878E-10
J1,K1,R1,R2,RAT=  11  11    0.2100730277         1.789928762        0.7899269723    
FOB,PFOB,DIAG,PSTEP=    0.1474059906E-07    0.1866070671E-07     586.3556812       -0.3182486435E-10
J1,K1,R1,R2,RAT= 109 109    0.4739978971E-01     1.952591806        0.9525918056    
FOB,PFOB,DIAG,PSTEP=    0.5520844475E-05    0.5795553654E-05     13.91004600       -0.4166469335E-06
J1,K1,R1,R2,RAT= 110 110    0.1528531309         1.847143754        0.8471437540    
FOB,PFOB,DIAG,PSTEP=   -0.9231355720E-05   -0.1089699868E-04     12.24375954        0.8900056899E-06
J1,K1,R1,R2,RAT= 111 111    0.3644170323         1.635596983        0.6355829677    
FOB,PFOB,DIAG,PSTEP=   -0.1029554498E-05   -0.1619852032E-05     10.08864826        0.1605607252E-06
J1,K1,R1,R2,RAT= 112 112    0.4121075007         702.5074780        0.5878924993    
FOB,PFOB,DIAG,PSTEP=    0.3193925150E-01    0.3197674614E-01     9.098265803       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8388691597         1637.587882        0.1611308403    
FOB,PFOB,DIAG,PSTEP=    0.9767362121E-01    0.9757360406E-01     5.751401574       -0.2073034658E-04
J1,K1,R1,R2,RAT= 114 114    0.2003632242        -57773.54591        0.7996367758    
FOB,PFOB,DIAG,PSTEP=    0.9135810817        0.9135747450         3.162616727        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03194      0.09767      0.91358 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3819392659
 Log product of positive Hessian eigenvalues =          519.0734642013
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1626167268
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000064
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000157
 Unscaled step for mode   64=        0.0000000008
 Unscaled step for mode   65=       -0.0000000100
 Unscaled step for mode   66=        0.0000000051
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000002
 Unscaled step for mode   70=        0.0000000121
 Unscaled step for mode   71=       -0.0000000065
 Unscaled step for mode   72=        0.0000000101
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000022
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000169
 Unscaled step for mode   78=       -0.0000000091
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000060
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000153
 Unscaled step for mode   83=       -0.0000000035
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=        0.0000000278
 Unscaled step for mode   86=        0.0000000080
 Unscaled step for mode   87=       -0.0000000129
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000339
 Unscaled step for mode   90=        0.0000000376
 Unscaled step for mode   91=        0.0000000487
 Unscaled step for mode   92=       -0.0000000644
 Unscaled step for mode   93=        0.0000000632
 Unscaled step for mode   94=       -0.0000000133
 Unscaled step for mode   95=        0.0000000381
 Unscaled step for mode   96=       -0.0000000256
 Unscaled step for mode   97=        0.0000000710
 Unscaled step for mode   98=        0.0000000127
 Unscaled step for mode   99=       -0.0000000495
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=        0.0000003347
 Unscaled step for mode  102=        0.0000000030
 Unscaled step for mode  103=        0.0000000893
 Unscaled step for mode  104=        0.0000000531
 Unscaled step for mode  105=        0.0000002625
 Unscaled step for mode  106=       -0.0000002453
 Unscaled step for mode  107=        0.0000010471
 Unscaled step for mode  108=        0.0000014211
 Unscaled step for mode  109=       -0.0000003969
 Unscaled step for mode  110=        0.0000007540
 Unscaled step for mode  111=        0.0000001021
 Unscaled step for mode  112=       -0.0035104336
 Unscaled step for mode  113=       -0.0169776821
 Unscaled step for mode  114=        0.2681047947
 Largest modulus ratio of non-zero e/values=           236.1216304    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.655075E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.204871E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.273598E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.815574E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.839389E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.390117E-14    0.974307E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172969E-06    0.746762E+03  0.231625E-09 0.100000E-04    0.988445E+00
   8   -0.408524E-06    0.674027E+03  0.606094E-09 0.100000E-04    0.949392E+00
   9   -0.725435E-06    0.630754E+03  0.115011E-08 0.100000E-04    0.945029E+00
  10   -0.252185E-07    0.600673E+03  0.419837E-10 0.100000E-04    0.473621E+00
  11    0.147406E-07    0.586356E+03 -0.251393E-10 0.100000E-04    0.789927E+00
  12   -0.103388E-05    0.578894E+03  0.178596E-08 0.100000E-04    0.941787E+00
  13    0.511400E-07    0.564819E+03 -0.905423E-10 0.100000E-04    0.919040E+00
  14    0.430436E-06    0.487446E+03 -0.883045E-09 0.100000E-04    0.931651E+00
  15   -0.435135E-06    0.460579E+03  0.944757E-09 0.100000E-04    0.937927E+00
  16   -0.120683E-06    0.459760E+03  0.262491E-09 0.100000E-04    0.812080E+00
  17   -0.580205E-06    0.441652E+03  0.131372E-08 0.100000E-04    0.906524E+00
  18   -0.414718E-06    0.429412E+03  0.965781E-09 0.100000E-04    0.931408E+00
  19   -0.156214E-06    0.421891E+03  0.370272E-09 0.100000E-04    0.657475E+00
  20   -0.374906E-06    0.407908E+03  0.919096E-09 0.100000E-04    0.921780E+00
  21   -0.425183E-06    0.396324E+03  0.107282E-08 0.100000E-04    0.918585E+00
  22   -0.648317E-06    0.387436E+03  0.167335E-08 0.100000E-04    0.989814E+00
  23    0.805047E-06    0.370041E+03 -0.217556E-08 0.100000E-04    0.922369E+00
  24   -0.436165E-06    0.360572E+03  0.120965E-08 0.100000E-04    0.976746E+00
  25   -0.891166E-07    0.349329E+03  0.255108E-09 0.109000E-04    0.170295E+00
  26   -0.685836E-07    0.335312E+03  0.204537E-09 0.100000E-04    0.619474E+01
  27    0.365056E-06    0.329324E+03 -0.110850E-08 0.100000E-04    0.887474E+00
  28   -0.387602E-06    0.321825E+03  0.120439E-08 0.100000E-04    0.894712E+00
  29   -0.696168E-07    0.319141E+03  0.218138E-09 0.100000E-04    0.478087E+00
  30   -0.138555E-05    0.309368E+03  0.447865E-08 0.100000E-04    0.958472E+00
  31   -0.104561E-05    0.300804E+03  0.347606E-08 0.100000E-04    0.953784E+00
  32   -0.125435E-05    0.290602E+03  0.431637E-08 0.100000E-04    0.967095E+00
  33   -0.147456E-07    0.279028E+03  0.528463E-10 0.100000E-04    0.221530E+00
  34   -0.550406E-07    0.272746E+03  0.201802E-09 0.100000E-04    0.500994E+02
  35    0.104385E-05    0.268543E+03 -0.388710E-08 0.100000E-04    0.967204E+00
  36    0.126752E-05    0.264961E+03 -0.478378E-08 0.100000E-04    0.981684E+00
  37   -0.489527E-06    0.263850E+03  0.185532E-08 0.100000E-04    0.895293E+00
  38   -0.144708E-06    0.253203E+03  0.571509E-09 0.100000E-04    0.977476E+00
  39   -0.393932E-06    0.241580E+03  0.163065E-08 0.100000E-04    0.873880E+00
  40   -0.127427E-05    0.240784E+03  0.529216E-08 0.100000E-04    0.984714E+00
  41   -0.100815E-05    0.234030E+03  0.430778E-08 0.100000E-04    0.991570E+00
  42   -0.172253E-05    0.227527E+03  0.757065E-08 0.100000E-04    0.961677E+00
  43   -0.168505E-07    0.217150E+03  0.775988E-10 0.100000E-04    0.841200E+00
  44   -0.198400E-05    0.214895E+03  0.923241E-08 0.100000E-04    0.966346E+00
  45    0.720890E-06    0.213254E+03 -0.338043E-08 0.100000E-04    0.983515E+00
  46    0.108503E-05    0.207687E+03 -0.522433E-08 0.100000E-04    0.982688E+00
  47   -0.754850E-06    0.202989E+03  0.371867E-08 0.100000E-04    0.964391E+00
  48   -0.120470E-05    0.195415E+03  0.616483E-08 0.100000E-04    0.924997E+00
  49    0.954348E-06    0.194850E+03 -0.489786E-08 0.100000E-04    0.947260E+00
  50    0.125128E-05    0.191373E+03 -0.653846E-08 0.100000E-04    0.877526E+00
  51    0.217580E-06    0.182976E+03 -0.118912E-08 0.100000E-04    0.862421E+00
  52   -0.598207E-06    0.174374E+03  0.343060E-08 0.100000E-04    0.925938E+00
  53    0.123561E-06    0.172342E+03 -0.716951E-09 0.100000E-04    0.739894E+00
  54   -0.227367E-06    0.168222E+03  0.135159E-08 0.100000E-04    0.932697E+00
  55   -0.851595E-06    0.163214E+03  0.521764E-08 0.100000E-04    0.995906E+00
  56    0.136343E-05    0.156869E+03 -0.869150E-08 0.100000E-04    0.970739E+00
  57   -0.347243E-06    0.154923E+03  0.224139E-08 0.100000E-04    0.833252E+00
  58    0.927490E-06    0.152251E+03 -0.609184E-08 0.100000E-04    0.999800E+00
  59   -0.646082E-06    0.146652E+03  0.440555E-08 0.100000E-04    0.997002E+00
  60   -0.178669E-06    0.143339E+03  0.124648E-08 0.100000E-04    0.742816E+00
  61   -0.882769E-06    0.138105E+03  0.639203E-08 0.100000E-04    0.820266E+00
  62    0.952643E-06    0.135873E+03 -0.701127E-08 0.100000E-04    0.967721E+00
  63    0.204569E-05    0.130286E+03 -0.157016E-07 0.100000E-04    0.914281E+00
  64   -0.976687E-07    0.128845E+03  0.758035E-09 0.100000E-04    0.460382E+00
  65    0.126651E-05    0.126903E+03 -0.998014E-08 0.100000E-04    0.882405E+00
  66   -0.635372E-06    0.124049E+03  0.512195E-08 0.100000E-04    0.883409E+00
  67    0.186687E-05    0.120015E+03 -0.155552E-07 0.100000E-04    0.957941E+00
  68    0.444220E-06    0.118171E+03 -0.375915E-08 0.100000E-04    0.927722E+00
  69   -0.186821E-07    0.116828E+03  0.159911E-09 0.100000E-04    0.235106E+00
  70   -0.133815E-05    0.110368E+03  0.121244E-07 0.100000E-04    0.941585E+00
  71    0.692565E-06    0.106822E+03 -0.648332E-08 0.100000E-04    0.913788E+00
  72   -0.105301E-05    0.104459E+03  0.100807E-07 0.100000E-04    0.831068E+00
  73    0.142919E-06    0.102857E+03 -0.138949E-08 0.100000E-04    0.754221E+00
  74    0.767711E-07    0.995109E+02 -0.771485E-09 0.100000E-04    0.502185E+00
  75   -0.210448E-06    0.960859E+02  0.219021E-08 0.100000E-04    0.119962E+01
  76    0.190030E-06    0.940983E+02 -0.201948E-08 0.100000E-04    0.855590E+00
  77    0.155791E-05    0.919595E+02 -0.169413E-07 0.100000E-04    0.956272E+00
  78    0.827254E-06    0.912362E+02 -0.906717E-08 0.100000E-04    0.965326E+00
  79   -0.731793E-06    0.884077E+02  0.827748E-08 0.100000E-04    0.981150E+00
  80   -0.517430E-06    0.856158E+02  0.604363E-08 0.100000E-04    0.912267E+00
  81    0.129470E-05    0.808365E+02 -0.160163E-07 0.100000E-04    0.990774E+00
  82   -0.123486E-05    0.805170E+02  0.153366E-07 0.100000E-04    0.929131E+00
  83    0.273488E-06    0.779518E+02 -0.350843E-08 0.100000E-04    0.721262E+00
  84    0.317260E-06    0.732803E+02 -0.432941E-08 0.100000E-04    0.582218E+00
  85   -0.201640E-05    0.725433E+02  0.277959E-07 0.100000E-04    0.886468E+00
  86   -0.543904E-06    0.679108E+02  0.800910E-08 0.100000E-04    0.840638E+00
  87    0.837910E-06    0.647433E+02 -0.129420E-07 0.100000E-04    0.792573E+00
  88   -0.119202E-05    0.613391E+02  0.194333E-07 0.100000E-04    0.963891E+00
  89    0.202699E-05    0.598313E+02 -0.338784E-07 0.100000E-04    0.941481E+00
  90   -0.223314E-05    0.594027E+02  0.375933E-07 0.100000E-04    0.973740E+00
  91   -0.283207E-05    0.581353E+02  0.487152E-07 0.100000E-04    0.914797E+00
  92    0.359810E-05    0.558693E+02 -0.644021E-07 0.100000E-04    0.944533E+00
  93   -0.331300E-05    0.524435E+02  0.631728E-07 0.100000E-04    0.979744E+00
  94    0.690154E-06    0.520212E+02 -0.132668E-07 0.100000E-04    0.812237E+00
  95   -0.191238E-05    0.502545E+02  0.380539E-07 0.100000E-04    0.880239E+00
  96    0.118196E-05    0.461484E+02 -0.256121E-07 0.100000E-04    0.914743E+00
  97   -0.307727E-05    0.433537E+02  0.709804E-07 0.100000E-04    0.880225E+00
  98   -0.520737E-06    0.409189E+02  0.127261E-07 0.100000E-04    0.659726E+00
  99    0.187485E-05    0.378669E+02 -0.495115E-07 0.100000E-04    0.804822E+00
 100    0.154216E-05    0.362000E+02 -0.426012E-07 0.100000E-04    0.885895E+00
 101   -0.107963E-04    0.322597E+02  0.334668E-06 0.100000E-04    0.935477E+00
 102   -0.872769E-07    0.289094E+02  0.301898E-08 0.100000E-04    0.232407E+00
 103   -0.253970E-05    0.284540E+02  0.892564E-07 0.100000E-04    0.957595E+00
 104   -0.139796E-05    0.263055E+02  0.531433E-07 0.100000E-04    0.663724E+00
 105   -0.612340E-05    0.233307E+02  0.262461E-06 0.100000E-04    0.923840E+00
 106    0.523345E-05    0.213325E+02 -0.245328E-06 0.100000E-04    0.959808E+00
 107   -0.207868E-04    0.198517E+02  0.104710E-05 0.100000E-04    0.916139E+00
 108   -0.233819E-04    0.164534E+02  0.142110E-05 0.100000E-04    0.926705E+00
 109    0.552084E-05    0.139100E+02 -0.396896E-06 0.100000E-04    0.952592E+00
 110   -0.923136E-05    0.122438E+02  0.753964E-06 0.100000E-04    0.847144E+00
 111   -0.102955E-05    0.100886E+02  0.102051E-06 0.100000E-04    0.635583E+00
 112    0.319393E-01    0.909827E+01 -0.100000E-04 0.100000E-04    0.587892E+00
 113    0.976736E-01    0.575140E+01 -0.225961E-04 0.225961E-04    0.161131E+00
 114    0.913581E+00    0.316262E+01  0.100000E-04 0.100000E-04    0.799637E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2259607777E-04    0.2681047947    

 Beginning of optimization cycle  629.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992978487
 potential> RMS force:                                               0.0861056693   |gradient|=.9193569691    
 Eigenvalues of the Hessian matrix:
   746.76618    674.02574    630.75670    600.67073    586.35509    578.89448 
   564.81473    487.44528    460.57793    459.75951    441.65099    429.41343 
   421.89034    407.90604    396.32350    387.43448    370.04108    360.57205 
   349.32794    335.31289    329.32456    321.82449    319.14171    309.36636 
   300.80366    290.60246    279.02928    272.74643    268.54355    264.96145 
   263.85044    253.20208    241.58055    240.78399    234.03074    227.52709 
   217.15044    214.89535    213.25385    207.68761    202.98898    195.41411 
   194.85017    191.37324    182.97648    174.37459    172.34254    168.22220 
   163.21413    156.86892    154.92366    152.25107    146.65129    143.33816 
   138.10513    135.87318    130.28528    128.84482    126.90315    124.04781 
   120.01560    118.17066    116.82779    110.36861    106.82231    104.45874 
   102.85709     99.51080     96.08565     94.09809     91.95914     91.23641 
    88.40716     85.61609     80.83656     80.51771     77.95158     73.28008 
    72.54270     67.91048     64.74286     61.33861     59.83105     59.40278 
    58.13521     55.86903     52.44335     52.02077     50.25515     46.14800 
    43.35433     40.91901     37.86682     36.19963     32.25936     28.90972 
    28.45411     26.30576     23.33057     21.33268     19.85161     16.45330 
    13.91011     12.24378     10.08858      9.09985      5.75159      3.16231 
overlap for current and previous eigenvector    109 is         0.9999999877
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999629
overlap for current and previous eigenvector    112 is         0.9999999259
overlap for current and previous eigenvector    113 is         0.9999999281
overlap for current and previous eigenvector    114 is         0.9999999636
J1,K1,R1,R2,RAT=   7   7    0.4021599897E-02     1.995967800        0.9959678002    
FOB,PFOB,DIAG,PSTEP=   -0.1722732434E-06   -0.1729688586E-06     746.7661757        0.2316250802E-09
J1,K1,R1,R2,RAT=   8   8   -0.4366314004E-01     2.043667441        0.9563368600    
FOB,PFOB,DIAG,PSTEP=   -0.4263609490E-06   -0.4085235657E-06     674.0257417        0.6060935985E-09
J1,K1,R1,R2,RAT=   9   9   -0.4698112483E-01     2.046971460        0.9530188752    
FOB,PFOB,DIAG,PSTEP=   -0.7595166183E-06   -0.7254347147E-06     630.7566967        0.1150107837E-08
J1,K1,R1,R2,RAT=  10  10   -0.9444524401         2.944460032        0.5554755988E-01
FOB,PFOB,DIAG,PSTEP=   -0.4903603909E-07   -0.2521847719E-07     600.6707267        0.4198370310E-10
J1,K1,R1,R2,RAT=  11  11   -0.1489277771         2.148929793        0.8510722229    
FOB,PFOB,DIAG,PSTEP=    0.1693588150E-07    0.1474059906E-07     586.3550901       -0.2513934721E-10
J1,K1,R1,R2,RAT= 109 109   -0.4313330811E-01     2.043124720        0.9568666919    
FOB,PFOB,DIAG,PSTEP=    0.5758977783E-05    0.5520844475E-05     13.91010572       -0.3968962056E-06
J1,K1,R1,R2,RAT= 110 110   -0.1491224663         2.149119331        0.8508775337    
FOB,PFOB,DIAG,PSTEP=   -0.1060796041E-04   -0.9231355720E-05     12.24377873        0.7539641475E-06
J1,K1,R1,R2,RAT= 111 111   -0.5867563325         2.586769815        0.4132436675    
FOB,PFOB,DIAG,PSTEP=   -0.1633648047E-05   -0.1029554498E-05     10.08858025        0.1020507874E-06
J1,K1,R1,R2,RAT= 112 112    0.3813952798         701.5919916        0.6186047202    
FOB,PFOB,DIAG,PSTEP=    0.3190454512E-01    0.3193925150E-01     9.099846831       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7859366031         1503.879764        0.2140633969    
FOB,PFOB,DIAG,PSTEP=    0.9777576423E-01    0.9767362121E-01     5.751592819       -0.2259607777E-04
J1,K1,R1,R2,RAT= 114 114    0.1530279078        -57779.56606        0.8469720922    
FOB,PFOB,DIAG,PSTEP=    0.9135859209        0.9135810817         3.162306551        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03190      0.09778      0.91359 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3819191128
 Log product of positive Hessian eigenvalues =          519.0735405278
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1623065510
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000049
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000054
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000073
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000075
 Unscaled step for mode   62=       -0.0000000072
 Unscaled step for mode   63=       -0.0000000169
 Unscaled step for mode   64=        0.0000000015
 Unscaled step for mode   65=       -0.0000000111
 Unscaled step for mode   66=        0.0000000057
 Unscaled step for mode   67=       -0.0000000161
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=        0.0000000127
 Unscaled step for mode   71=       -0.0000000070
 Unscaled step for mode   72=        0.0000000089
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=        0.0000000009
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=        0.0000000093
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000163
 Unscaled step for mode   83=       -0.0000000029
 Unscaled step for mode   84=       -0.0000000069
 Unscaled step for mode   85=        0.0000000308
 Unscaled step for mode   86=        0.0000000092
 Unscaled step for mode   87=       -0.0000000157
 Unscaled step for mode   88=        0.0000000188
 Unscaled step for mode   89=       -0.0000000356
 Unscaled step for mode   90=        0.0000000383
 Unscaled step for mode   91=        0.0000000521
 Unscaled step for mode   92=       -0.0000000673
 Unscaled step for mode   93=        0.0000000640
 Unscaled step for mode   94=       -0.0000000114
 Unscaled step for mode   95=        0.0000000425
 Unscaled step for mode   96=       -0.0000000273
 Unscaled step for mode   97=        0.0000000788
 Unscaled step for mode   98=        0.0000000184
 Unscaled step for mode   99=       -0.0000000595
 Unscaled step for mode  100=       -0.0000000471
 Unscaled step for mode  101=        0.0000003523
 Unscaled step for mode  102=        0.0000000110
 Unscaled step for mode  103=        0.0000000926
 Unscaled step for mode  104=        0.0000000430
 Unscaled step for mode  105=        0.0000002796
 Unscaled step for mode  106=       -0.0000002532
 Unscaled step for mode  107=        0.0000011230
 Unscaled step for mode  108=        0.0000015100
 Unscaled step for mode  109=       -0.0000004140
 Unscaled step for mode  110=        0.0000008664
 Unscaled step for mode  111=        0.0000001619
 Unscaled step for mode  112=       -0.0035060099
 Unscaled step for mode  113=       -0.0169948616
 Unscaled step for mode  114=        0.2681287942
 Largest modulus ratio of non-zero e/values=           236.1460420    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.145055E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.128467E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.677608E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.426525E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.496348E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.391940E-14    0.974307E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172273E-06    0.746766E+03  0.230692E-09 0.100000E-04    0.995968E+00
   8   -0.426361E-06    0.674026E+03  0.632559E-09 0.100000E-04    0.956337E+00
   9   -0.759517E-06    0.630757E+03  0.120414E-08 0.100000E-04    0.953019E+00
  10   -0.490360E-07    0.600671E+03  0.816355E-10 0.109000E-04    0.555476E-01
  11    0.169359E-07    0.586355E+03 -0.288833E-10 0.100000E-04    0.851072E+00
  12   -0.108654E-05    0.578894E+03  0.187692E-08 0.100000E-04    0.949069E+00
  13    0.477093E-07    0.564815E+03 -0.844689E-10 0.100000E-04    0.932914E+00
  14    0.457299E-06    0.487445E+03 -0.938155E-09 0.100000E-04    0.937591E+00
  15   -0.458471E-06    0.460578E+03  0.995426E-09 0.100000E-04    0.946371E+00
  16   -0.143695E-06    0.459760E+03  0.312545E-09 0.100000E-04    0.809314E+00
  17   -0.630267E-06    0.441651E+03  0.142707E-08 0.100000E-04    0.913716E+00
  18   -0.439199E-06    0.429413E+03  0.102279E-08 0.100000E-04    0.940970E+00
  19   -0.122743E-06    0.421890E+03  0.290935E-09 0.100000E-04    0.785734E+00
  20   -0.400890E-06    0.407906E+03  0.982799E-09 0.100000E-04    0.930693E+00
  21   -0.456194E-06    0.396324E+03  0.115106E-08 0.100000E-04    0.927064E+00
  22   -0.652171E-06    0.387434E+03  0.168331E-08 0.100000E-04    0.994056E+00
  23    0.861049E-06    0.370041E+03 -0.232690E-08 0.100000E-04    0.930437E+00
  24   -0.444220E-06    0.360572E+03  0.123199E-08 0.100000E-04    0.981533E+00
  25   -0.546962E-07    0.349328E+03  0.156575E-09 0.100000E-04    0.613759E+00
  26   -0.200976E-07    0.335313E+03  0.599368E-10 0.100000E-04    0.293035E+00
  27    0.402117E-06    0.329325E+03 -0.122103E-08 0.100000E-04    0.898481E+00
  28   -0.423852E-06    0.321824E+03  0.131703E-08 0.100000E-04    0.906477E+00
  29   -0.128773E-06    0.319142E+03  0.403499E-09 0.109000E-04    0.150257E+00
  30   -0.142913E-05    0.309366E+03  0.461952E-08 0.100000E-04    0.968549E+00
  31   -0.108627E-05    0.300804E+03  0.361123E-08 0.100000E-04    0.961115E+00
  32   -0.128681E-05    0.290602E+03  0.442807E-08 0.100000E-04    0.974120E+00
  33   -0.570378E-07    0.279029E+03  0.204415E-09 0.100000E-04    0.186811E+01
  34   -0.118216E-07    0.272746E+03  0.433428E-10 0.100000E-04    0.214778E+00
  35    0.106973E-05    0.268544E+03 -0.398346E-08 0.100000E-04    0.975209E+00
  36    0.128514E-05    0.264961E+03 -0.485028E-08 0.100000E-04    0.986098E+00
  37   -0.537259E-06    0.263850E+03  0.203622E-08 0.100000E-04    0.902494E+00
  38   -0.141688E-06    0.253202E+03  0.559586E-09 0.100000E-04    0.979136E+00
  39   -0.359798E-06    0.241581E+03  0.148935E-08 0.100000E-04    0.913348E+00
  40   -0.128847E-05    0.240784E+03  0.535113E-08 0.100000E-04    0.988856E+00
  41   -0.100142E-05    0.234031E+03  0.427900E-08 0.100000E-04    0.993317E+00
  42   -0.177299E-05    0.227527E+03  0.779244E-08 0.100000E-04    0.970703E+00
  43   -0.179455E-07    0.217150E+03  0.826410E-10 0.100000E-04    0.935018E+00
  44   -0.203846E-05    0.214895E+03  0.948584E-08 0.100000E-04    0.972549E+00
  45    0.708916E-06    0.213254E+03 -0.332428E-08 0.100000E-04    0.983390E+00
  46    0.110186E-05    0.207688E+03 -0.530537E-08 0.100000E-04    0.984485E+00
  47   -0.778011E-06    0.202989E+03  0.383277E-08 0.100000E-04    0.969317E+00
  48   -0.128112E-05    0.195414E+03  0.655590E-08 0.100000E-04    0.936569E+00
  49    0.998968E-06    0.194850E+03 -0.512685E-08 0.100000E-04    0.953245E+00
  50    0.139311E-05    0.191373E+03 -0.727955E-08 0.100000E-04    0.886655E+00
  51    0.245531E-06    0.182976E+03 -0.134187E-08 0.100000E-04    0.871537E+00
  52   -0.635766E-06    0.174375E+03  0.364598E-08 0.100000E-04    0.937214E+00
  53    0.103285E-06    0.172343E+03 -0.599303E-09 0.100000E-04    0.835904E+00
  54   -0.214687E-06    0.168222E+03  0.127621E-08 0.100000E-04    0.944230E+00
  55   -0.844188E-06    0.163214E+03  0.517227E-08 0.100000E-04    0.991302E+00
  56    0.139654E-05    0.156869E+03 -0.890258E-08 0.100000E-04    0.975716E+00
  57   -0.406639E-06    0.154924E+03  0.262477E-08 0.100000E-04    0.828951E+00
  58    0.924394E-06    0.152251E+03 -0.607151E-08 0.100000E-04    0.996661E+00
  59   -0.645360E-06    0.146651E+03  0.440064E-08 0.100000E-04    0.998882E+00
  60   -0.231527E-06    0.143338E+03  0.161525E-08 0.100000E-04    0.704154E+00
  61   -0.104269E-05    0.138105E+03  0.754996E-08 0.100000E-04    0.818844E+00
  62    0.976334E-06    0.135873E+03 -0.718562E-08 0.100000E-04    0.975132E+00
  63    0.220021E-05    0.130285E+03 -0.168876E-07 0.100000E-04    0.924467E+00
  64   -0.190571E-06    0.128845E+03  0.147908E-08 0.109000E-04    0.488001E-01
  65    0.140724E-05    0.126903E+03 -0.110891E-07 0.100000E-04    0.888880E+00
  66   -0.706732E-06    0.124048E+03  0.569726E-08 0.100000E-04    0.887686E+00
  67    0.193173E-05    0.120016E+03 -0.160957E-07 0.100000E-04    0.965254E+00
  68    0.472531E-06    0.118171E+03 -0.399872E-08 0.100000E-04    0.936268E+00
  69   -0.727642E-07    0.116828E+03  0.622833E-09 0.100000E-04    0.189488E+01
  70   -0.140515E-05    0.110369E+03  0.127314E-07 0.100000E-04    0.949934E+00
  71    0.746687E-06    0.106822E+03 -0.698999E-08 0.100000E-04    0.921852E+00
  72   -0.927235E-06    0.104459E+03  0.887657E-08 0.100000E-04    0.880552E+00
  73    0.180888E-06    0.102857E+03 -0.175864E-08 0.100000E-04    0.734333E+00
  74    0.365058E-07    0.995108E+02 -0.366853E-09 0.100000E-04    0.475515E+00
  75   -0.877102E-07    0.960857E+02  0.912834E-09 0.100000E-04    0.416778E+00
  76    0.214883E-06    0.940981E+02 -0.228361E-08 0.100000E-04    0.869211E+00
  77    0.150085E-05    0.919591E+02 -0.163209E-07 0.100000E-04    0.963374E+00
  78   -0.847862E-06    0.912364E+02  0.929302E-08 0.100000E-04    0.975089E+00
  79   -0.740466E-06    0.884072E+02  0.837564E-08 0.100000E-04    0.988148E+00
  80   -0.559934E-06    0.856161E+02  0.654005E-08 0.100000E-04    0.917857E+00
  81    0.130113E-05    0.808366E+02 -0.160958E-07 0.100000E-04    0.995040E+00
  82   -0.131122E-05    0.805177E+02  0.162849E-07 0.100000E-04    0.938163E+00
  83    0.223108E-06    0.779516E+02 -0.286214E-08 0.100000E-04    0.815788E+00
  84    0.504971E-06    0.732801E+02 -0.689097E-08 0.100000E-04    0.408336E+00
  85   -0.223468E-05    0.725427E+02  0.308050E-07 0.100000E-04    0.891749E+00
  86   -0.627047E-06    0.679105E+02  0.923344E-08 0.100000E-04    0.847137E+00
  87    0.101439E-05    0.647429E+02 -0.156680E-07 0.100000E-04    0.789375E+00
  88   -0.115022E-05    0.613386E+02  0.187519E-07 0.100000E-04    0.964931E+00
  89    0.213197E-05    0.598310E+02 -0.356333E-07 0.100000E-04    0.948206E+00
  90   -0.227786E-05    0.594028E+02  0.383459E-07 0.100000E-04    0.979978E+00
  91   -0.302715E-05    0.581352E+02  0.520709E-07 0.100000E-04    0.931116E+00
  92    0.376142E-05    0.558690E+02 -0.673256E-07 0.100000E-04    0.954610E+00
  93   -0.335709E-05    0.524434E+02  0.640137E-07 0.100000E-04    0.986691E+00
  94    0.592613E-06    0.520208E+02 -0.113919E-07 0.100000E-04    0.858667E+00
  95   -0.213526E-05    0.502551E+02  0.424884E-07 0.100000E-04    0.883454E+00
  96    0.125984E-05    0.461480E+02 -0.272999E-07 0.100000E-04    0.934110E+00
  97   -0.341835E-05    0.433543E+02  0.788467E-07 0.100000E-04    0.889163E+00
  98   -0.752538E-06    0.409190E+02  0.183909E-07 0.100000E-04    0.554860E+00
  99    0.225489E-05    0.378668E+02 -0.595480E-07 0.100000E-04    0.797291E+00
 100    0.170512E-05    0.361996E+02 -0.471032E-07 0.100000E-04    0.894334E+00
 101   -0.113647E-04    0.322594E+02  0.352292E-06 0.100000E-04    0.947352E+00
 102   -0.317610E-06    0.289097E+02  0.109863E-07 0.100000E-04    0.163908E+01
 103   -0.263373E-05    0.284541E+02  0.925607E-07 0.100000E-04    0.962977E+00
 104   -0.113093E-05    0.263058E+02  0.429917E-07 0.100000E-04    0.808965E+00
 105   -0.652283E-05    0.233306E+02  0.279583E-06 0.100000E-04    0.934770E+00
 106    0.540051E-05    0.213327E+02 -0.253157E-06 0.100000E-04    0.968078E+00
 107   -0.222941E-04    0.198516E+02  0.112304E-05 0.100000E-04    0.927485E+00
 108   -0.248448E-04    0.164533E+02  0.151002E-05 0.100000E-04    0.937438E+00
 109    0.575898E-05    0.139101E+02 -0.414014E-06 0.100000E-04    0.956867E+00
 110   -0.106080E-04    0.122438E+02  0.866396E-06 0.100000E-04    0.850878E+00
 111   -0.163365E-05    0.100886E+02  0.161930E-06 0.100000E-04    0.413244E+00
 112    0.319045E-01    0.909985E+01 -0.100000E-04 0.100000E-04    0.618605E+00
 113    0.977758E-01    0.575159E+01 -0.203568E-04 0.203568E-04    0.214063E+00
 114    0.913586E+00    0.316231E+01  0.100000E-04 0.100000E-04    0.846972E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2035682682E-04    0.2681287942    

 Beginning of optimization cycle  630.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992910205
 potential> RMS force:                                               0.0861071506   |gradient|=.9193727847    
 Eigenvalues of the Hessian matrix:
   746.77001    674.02453    630.75962    600.66843    586.35458    578.89468 
   564.81081    487.44497    460.57664    459.75897    441.65043    429.41465 
   421.88973    407.90445    396.32296    387.43307    370.04154    360.57220 
   349.32719    335.31351    329.32540    321.82427    319.14231    309.36522 
   300.80305    290.60251    279.03071    272.74688    268.54377    264.96177 
   263.85100    253.20147    241.58082    240.78437    234.03148    227.52738 
   217.15113    214.89549    213.25357    207.68809    202.98858    195.41330 
   194.85052    191.37370    182.97719    174.37530    172.34277    168.22246 
   163.21381    156.86869    154.92416    152.25090    146.65071    143.33778 
   138.10563    135.87318    130.28505    128.84503    126.90335    124.04672 
   120.01578    118.17080    116.82738    110.36884    106.82216    104.45898 
   102.85717     99.51074     96.08546     94.09787     91.95872     91.23661 
    88.40665     85.61638     80.83663     80.51837     77.95136     73.27989 
    72.54216     67.91020     64.74242     61.33815     59.83080     59.40288 
    58.13517     55.86882     52.44325     52.02041     50.25573     46.14759 
    43.35489     40.91913     37.86679     36.19932     32.25899     28.91005 
    28.45416     26.30603     23.33046     21.33293     19.85150     16.45321 
    13.91016     12.24380     10.08851      9.10133      5.75176      3.16201 
overlap for current and previous eigenvector    109 is         0.9999999894
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999690
overlap for current and previous eigenvector    112 is         0.9999999363
overlap for current and previous eigenvector    113 is         0.9999999368
overlap for current and previous eigenvector    114 is         0.9999999685
J1,K1,R1,R2,RAT=   7   7   -0.1143638766E-01     2.011426114        0.9885636123    
FOB,PFOB,DIAG,PSTEP=   -0.1742434371E-06   -0.1722732434E-06     746.7700118        0.2306923492E-09
J1,K1,R1,R2,RAT=   8   8    0.5014592082E-01     1.949857677        0.9498540792    
FOB,PFOB,DIAG,PSTEP=   -0.4049807251E-06   -0.4263609490E-06     674.0245293        0.6325588515E-09
J1,K1,R1,R2,RAT=   9   9    0.5446411692E-01     1.945526611        0.9455266113    
FOB,PFOB,DIAG,PSTEP=   -0.7181500246E-06   -0.7595166183E-06     630.7596208        0.1204135639E-08
J1,K1,R1,R2,RAT=  10  10    0.5621224091         1.437885235        0.4378775909    
FOB,PFOB,DIAG,PSTEP=   -0.2147188802E-07   -0.4903603909E-07     600.6684309        0.8163547332E-10
J1,K1,R1,R2,RAT=  11  11    0.2253702317         1.774631509        0.7746297683    
FOB,PFOB,DIAG,PSTEP=    0.1311904128E-07    0.1693588150E-07     586.3545798       -0.2888331965E-10
J1,K1,R1,R2,RAT= 109 109    0.4654967265E-01     1.953441911        0.9534419112    
FOB,PFOB,DIAG,PSTEP=    0.5490898124E-05    0.5758977783E-05     13.91016426       -0.4140139476E-06
J1,K1,R1,R2,RAT= 110 110    0.1542315927         1.845765190        0.8457651904    
FOB,PFOB,DIAG,PSTEP=   -0.8971875149E-05   -0.1060796041E-04     12.24379842        0.8663959589E-06
J1,K1,R1,R2,RAT= 111 111    0.3567540928         1.643259816        0.6432459072    
FOB,PFOB,DIAG,PSTEP=   -0.1050841473E-05   -0.1633648047E-05     10.08851009        0.1619304210E-06
J1,K1,R1,R2,RAT= 112 112    0.4187217930         700.6777958        0.5812782070    
FOB,PFOB,DIAG,PSTEP=    0.3186643587E-01    0.3190454512E-01     9.101327511       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8438251577         1670.973401        0.1561748423    
FOB,PFOB,DIAG,PSTEP=    0.9787456573E-01    0.9777576423E-01     5.751762775       -0.2035682682E-04
J1,K1,R1,R2,RAT= 114 114    0.2108274774        -57785.37826        0.7891725226    
FOB,PFOB,DIAG,PSTEP=    0.9135925873        0.9135859209         3.162008389        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03187      0.09787      0.91359 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3818972619
 Log product of positive Hessian eigenvalues =          519.0736109095
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1620083889
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000064
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000062
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000154
 Unscaled step for mode   64=        0.0000000006
 Unscaled step for mode   65=       -0.0000000098
 Unscaled step for mode   66=        0.0000000050
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000120
 Unscaled step for mode   71=       -0.0000000064
 Unscaled step for mode   72=        0.0000000103
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000024
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000170
 Unscaled step for mode   78=        0.0000000090
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000060
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000151
 Unscaled step for mode   83=       -0.0000000036
 Unscaled step for mode   84=       -0.0000000038
 Unscaled step for mode   85=        0.0000000273
 Unscaled step for mode   86=        0.0000000077
 Unscaled step for mode   87=       -0.0000000123
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000336
 Unscaled step for mode   90=        0.0000000374
 Unscaled step for mode   91=        0.0000000476
 Unscaled step for mode   92=       -0.0000000636
 Unscaled step for mode   93=        0.0000000627
 Unscaled step for mode   94=       -0.0000000135
 Unscaled step for mode   95=        0.0000000374
 Unscaled step for mode   96=       -0.0000000250
 Unscaled step for mode   97=        0.0000000694
 Unscaled step for mode   98=        0.0000000119
 Unscaled step for mode   99=       -0.0000000477
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003296
 Unscaled step for mode  102=        0.0000000012
 Unscaled step for mode  103=        0.0000000887
 Unscaled step for mode  104=        0.0000000562
 Unscaled step for mode  105=        0.0000002583
 Unscaled step for mode  106=       -0.0000002431
 Unscaled step for mode  107=        0.0000010287
 Unscaled step for mode  108=        0.0000013995
 Unscaled step for mode  109=       -0.0000003947
 Unscaled step for mode  110=        0.0000007328
 Unscaled step for mode  111=        0.0000001042
 Unscaled step for mode  112=       -0.0035012524
 Unscaled step for mode  113=       -0.0170115225
 Unscaled step for mode  114=        0.2681523797
 Largest modulus ratio of non-zero e/values=           236.1695227    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.586553E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.150590E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.883950E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.279182E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.358291E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.469138E-14    0.974307E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174243E-06    0.746770E+03  0.233329E-09 0.100000E-04    0.988564E+00
   8   -0.404981E-06    0.674025E+03  0.600840E-09 0.100000E-04    0.949854E+00
   9   -0.718150E-06    0.630760E+03  0.113855E-08 0.100000E-04    0.945527E+00
  10   -0.214719E-07    0.600668E+03  0.357467E-10 0.100000E-04    0.437878E+00
  11    0.131190E-07    0.586355E+03 -0.223739E-10 0.100000E-04    0.774630E+00
  12   -0.102385E-05    0.578895E+03  0.176864E-08 0.100000E-04    0.942308E+00
  13    0.514897E-07    0.564811E+03 -0.911628E-10 0.100000E-04    0.920760E+00
  14    0.426311E-06    0.487445E+03 -0.874584E-09 0.100000E-04    0.932237E+00
  15   -0.430203E-06    0.460577E+03  0.934054E-09 0.100000E-04    0.938343E+00
  16   -0.116255E-06    0.459759E+03  0.252860E-09 0.100000E-04    0.809036E+00
  17   -0.571516E-06    0.441650E+03  0.129405E-08 0.100000E-04    0.906783E+00
  18   -0.409247E-06    0.429415E+03  0.953033E-09 0.100000E-04    0.931797E+00
  19   -0.161960E-06    0.421890E+03  0.383893E-09 0.100000E-04    0.680489E+00
  20   -0.369678E-06    0.407904E+03  0.906287E-09 0.100000E-04    0.922144E+00
  21   -0.419201E-06    0.396323E+03  0.105773E-08 0.100000E-04    0.918910E+00
  22   -0.645688E-06    0.387433E+03  0.166658E-08 0.100000E-04    0.990060E+00
  23    0.794571E-06    0.370042E+03 -0.214725E-08 0.100000E-04    0.922792E+00
  24   -0.434107E-06    0.360572E+03  0.120394E-08 0.100000E-04    0.977233E+00
  25   -0.944129E-07    0.349327E+03  0.270271E-09 0.100000E-04    0.273865E+00
  26   -0.794284E-07    0.335314E+03  0.236878E-09 0.100000E-04    0.195213E+01
  27    0.356617E-06    0.329325E+03 -0.108287E-08 0.100000E-04    0.886846E+00
  28   -0.379022E-06    0.321824E+03  0.117773E-08 0.100000E-04    0.894232E+00
  29   -0.539446E-07    0.319142E+03  0.169030E-09 0.100000E-04    0.418909E+00
  30   -0.137007E-05    0.309365E+03  0.442864E-08 0.100000E-04    0.958676E+00
  31   -0.103654E-05    0.300803E+03  0.344591E-08 0.100000E-04    0.954218E+00
  32   -0.124492E-05    0.290603E+03  0.428394E-08 0.100000E-04    0.967449E+00
  33   -0.601810E-08    0.279031E+03  0.215679E-10 0.109000E-04    0.105505E+00
  34   -0.650073E-07    0.272747E+03  0.238343E-09 0.100000E-04    0.349902E+01
  35    0.103503E-05    0.268544E+03 -0.385421E-08 0.100000E-04    0.967555E+00
  36    0.126202E-05    0.264962E+03 -0.476304E-08 0.100000E-04    0.982012E+00
  37   -0.481028E-06    0.263851E+03  0.182310E-08 0.100000E-04    0.895333E+00
  38   -0.144888E-06    0.253201E+03  0.572226E-09 0.100000E-04    0.977416E+00
  39   -0.403231E-06    0.241581E+03  0.166914E-08 0.100000E-04    0.879284E+00
  40   -0.126911E-05    0.240784E+03  0.527074E-08 0.100000E-04    0.984975E+00
  41   -0.100987E-05    0.234031E+03  0.431509E-08 0.100000E-04    0.991563E+00
  42   -0.170561E-05    0.227527E+03  0.749630E-08 0.100000E-04    0.961996E+00
  43   -0.148693E-07    0.217151E+03  0.684744E-10 0.100000E-04    0.828573E+00
  44   -0.197078E-05    0.214895E+03  0.917089E-08 0.100000E-04    0.966797E+00
  45    0.720475E-06    0.213254E+03 -0.337849E-08 0.100000E-04    0.983695E+00
  46    0.108321E-05    0.207688E+03 -0.521558E-08 0.100000E-04    0.983073E+00
  47   -0.750704E-06    0.202989E+03  0.369826E-08 0.100000E-04    0.964902E+00
  48   -0.118510E-05    0.195413E+03  0.606459E-08 0.100000E-04    0.925055E+00
  49    0.946743E-06    0.194851E+03 -0.485882E-08 0.100000E-04    0.947717E+00
  50    0.122161E-05    0.191374E+03 -0.638338E-08 0.100000E-04    0.876890E+00
  51    0.211396E-06    0.182977E+03 -0.115531E-08 0.100000E-04    0.860965E+00
  52   -0.588742E-06    0.174375E+03  0.337630E-08 0.100000E-04    0.926029E+00
  53    0.128280E-06    0.172343E+03 -0.744331E-09 0.100000E-04    0.758004E+00
  54   -0.228759E-06    0.168222E+03  0.135986E-08 0.100000E-04    0.934458E+00
  55   -0.847676E-06    0.163214E+03  0.519365E-08 0.100000E-04    0.995868E+00
  56    0.135633E-05    0.156869E+03 -0.864628E-08 0.100000E-04    0.971210E+00
  57   -0.338452E-06    0.154924E+03  0.218463E-08 0.100000E-04    0.832310E+00
  58    0.924194E-06    0.152251E+03 -0.607020E-08 0.100000E-04    0.999784E+00
  59   -0.643551E-06    0.146651E+03  0.438832E-08 0.100000E-04    0.997197E+00
  60   -0.170814E-06    0.143338E+03  0.119169E-08 0.100000E-04    0.737773E+00
  61   -0.852640E-06    0.138106E+03  0.617382E-08 0.100000E-04    0.817726E+00
  62    0.945192E-06    0.135873E+03 -0.695643E-08 0.100000E-04    0.968103E+00
  63    0.201164E-05    0.130285E+03 -0.154403E-07 0.100000E-04    0.914294E+00
  64   -0.778484E-07    0.128845E+03  0.604202E-09 0.100000E-04    0.408498E+00
  65    0.124158E-05    0.126903E+03 -0.978368E-08 0.100000E-04    0.882276E+00
  66   -0.624263E-06    0.124047E+03  0.503249E-08 0.100000E-04    0.883308E+00
  67    0.185137E-05    0.120016E+03 -0.154260E-07 0.100000E-04    0.958393E+00
  68    0.438568E-06    0.118171E+03 -0.371130E-08 0.100000E-04    0.928122E+00
  69   -0.131262E-07    0.116827E+03  0.112356E-09 0.109000E-04    0.180391E+00
  70   -0.132374E-05    0.110369E+03  0.119938E-07 0.100000E-04    0.942059E+00
  71    0.682361E-06    0.106822E+03 -0.638783E-08 0.100000E-04    0.913852E+00
  72   -0.107708E-05    0.104459E+03  0.103110E-07 0.100000E-04    0.838399E+00
  73    0.135228E-06    0.102857E+03 -0.131471E-08 0.100000E-04    0.747576E+00
  74    0.816800E-07    0.995107E+02 -0.820816E-09 0.100000E-04    0.237450E+00
  75   -0.229941E-06    0.960855E+02  0.239308E-08 0.100000E-04    0.621598E+00
  76    0.183523E-06    0.940979E+02 -0.195034E-08 0.100000E-04    0.854057E+00
  77    0.156500E-05    0.919587E+02 -0.170185E-07 0.100000E-04    0.957261E+00
  78   -0.818743E-06    0.912366E+02  0.897384E-08 0.100000E-04    0.965651E+00
  79   -0.726590E-06    0.884067E+02  0.821873E-08 0.100000E-04    0.981260E+00
  80   -0.510934E-06    0.856164E+02  0.596771E-08 0.100000E-04    0.912483E+00
  81    0.128936E-05    0.808366E+02 -0.159502E-07 0.100000E-04    0.990955E+00
  82   -0.121867E-05    0.805184E+02  0.151353E-07 0.100000E-04    0.929398E+00
  83    0.281986E-06    0.779514E+02 -0.361746E-08 0.100000E-04    0.736103E+00
  84    0.281397E-06    0.732799E+02 -0.384003E-08 0.100000E-04    0.557252E+00
  85   -0.198093E-05    0.725422E+02  0.273073E-07 0.100000E-04    0.886448E+00
  86   -0.525898E-06    0.679102E+02  0.774402E-08 0.100000E-04    0.838689E+00
  87    0.798546E-06    0.647424E+02 -0.123342E-07 0.100000E-04    0.787214E+00
  88   -0.119139E-05    0.613381E+02  0.194233E-07 0.100000E-04    0.964206E+00
  89    0.200867E-05    0.598308E+02 -0.335726E-07 0.100000E-04    0.942166E+00
  90   -0.221872E-05    0.594029E+02  0.373503E-07 0.100000E-04    0.974034E+00
  91   -0.276803E-05    0.581352E+02  0.476137E-07 0.100000E-04    0.914400E+00
  92    0.355356E-05    0.558688E+02 -0.636055E-07 0.100000E-04    0.944740E+00
  93   -0.328977E-05    0.524433E+02  0.627301E-07 0.100000E-04    0.979946E+00
  94    0.700042E-06    0.520204E+02 -0.134571E-07 0.100000E-04    0.818718E+00
  95   -0.187974E-05    0.502557E+02  0.374034E-07 0.100000E-04    0.880309E+00
  96    0.115143E-05    0.461476E+02 -0.249510E-07 0.100000E-04    0.913950E+00
  97   -0.300763E-05    0.433549E+02  0.693724E-07 0.100000E-04    0.879826E+00
  98   -0.488758E-06    0.409191E+02  0.119445E-07 0.100000E-04    0.649474E+00
  99    0.180790E-05    0.378668E+02 -0.477438E-07 0.100000E-04    0.801769E+00
 100    0.150999E-05    0.361993E+02 -0.417132E-07 0.100000E-04    0.885563E+00
 101   -0.106325E-04    0.322590E+02  0.329597E-06 0.100000E-04    0.935567E+00
 102   -0.338087E-07    0.289101E+02  0.116944E-08 0.109000E-04    0.106435E+00
 103   -0.252350E-05    0.284542E+02  0.886863E-07 0.100000E-04    0.958140E+00
 104   -0.147906E-05    0.263060E+02  0.562250E-07 0.100000E-04    0.692177E+00
 105   -0.602616E-05    0.233305E+02  0.258296E-06 0.100000E-04    0.923857E+00
 106    0.518652E-05    0.213329E+02 -0.243123E-06 0.100000E-04    0.960352E+00
 107   -0.204222E-04    0.198515E+02  0.102875E-05 0.100000E-04    0.916033E+00
 108   -0.230261E-04    0.164532E+02  0.139949E-05 0.100000E-04    0.926800E+00
 109    0.549090E-05    0.139102E+02 -0.394740E-06 0.100000E-04    0.953442E+00
 110   -0.897188E-05    0.122438E+02  0.732769E-06 0.100000E-04    0.845765E+00
 111   -0.105084E-05    0.100885E+02  0.104162E-06 0.100000E-04    0.643246E+00
 112    0.318664E-01    0.910133E+01 -0.100000E-04 0.100000E-04    0.581278E+00
 113    0.978746E-01    0.575176E+01 -0.221889E-04 0.221889E-04    0.156175E+00
 114    0.913593E+00    0.316201E+01  0.100000E-04 0.100000E-04    0.789173E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2218894123E-04    0.2681523797    

 Beginning of optimization cycle  631.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992843730
 potential> RMS force:                                               0.0861085256   |gradient|=.9193874662    
 Eigenvalues of the Hessian matrix:
   746.77393    674.02311    630.76264    600.66616    586.35400    578.89487 
   564.80666    487.44456    460.57531    459.75842    441.64982    429.41602 
   421.88909    407.90278    396.32237    387.43162    370.04202    360.57238 
   349.32649    335.31418    329.32630    321.82400    319.14304    309.36405 
   300.80249    290.60258    279.03224    272.74735    268.54405    264.96210 
   263.85166    253.20088    241.58117    240.78477    234.03231    227.52773 
   217.15190    214.89563    213.25327    207.68860    202.98815    195.41248 
   194.85092    191.37417    182.97796    174.37606    172.34302    168.22276 
   163.21348    156.86847    154.92469    152.25071    146.65009    143.33736 
   138.10617    135.87318    130.28478    128.84525    126.90355    124.04556 
   120.01597    118.17092    116.82693    110.36910    106.82199    104.45920 
   102.85724     99.51066     96.08525     94.09764     91.95832     91.23684 
    88.40613     85.61669     80.83672     80.51907     77.95113     73.27966 
    72.54155     67.90988     64.74195     61.33769     59.83054     59.40297 
    58.13512     55.86858     52.44314     52.02002     50.25633     46.14715 
    43.35547     40.91924     37.86673     36.19894     32.25861     28.91039 
    28.45422     26.30632     23.33037     21.33316     19.85142     16.45310 
    13.91022     12.24382     10.08844      9.10289      5.75195      3.16170 
overlap for current and previous eigenvector    109 is         0.9999999880
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999635
overlap for current and previous eigenvector    112 is         0.9999999275
overlap for current and previous eigenvector    113 is         0.9999999301
overlap for current and previous eigenvector    114 is         0.9999999647
J1,K1,R1,R2,RAT=   7   7    0.3996443106E-02     1.995993057        0.9959930570    
FOB,PFOB,DIAG,PSTEP=   -0.1735470794E-06   -0.1742434371E-06     746.7739323        0.2333294513E-09
J1,K1,R1,R2,RAT=   8   8   -0.4325997948E-01     2.043264189        0.9567400205    
FOB,PFOB,DIAG,PSTEP=   -0.4225001461E-06   -0.4049807251E-06     674.0231107        0.6008397432E-09
J1,K1,R1,R2,RAT=   9   9   -0.4655519883E-01     2.046545631        0.9534448012    
FOB,PFOB,DIAG,PSTEP=   -0.7515838017E-06   -0.7181500246E-06     630.7626383        0.1138547873E-08
J1,K1,R1,R2,RAT=  10  10    -1.090715311         3.090722883        0.9071531100E-01
FOB,PFOB,DIAG,PSTEP=   -0.4489151637E-07   -0.2147188802E-07     600.6661568        0.3574665641E-10
J1,K1,R1,R2,RAT=  11  11   -0.1619505281         2.161952491        0.8380494719    
FOB,PFOB,DIAG,PSTEP=    0.1524367486E-07    0.1311904128E-07     586.3540042       -0.2237390435E-10
J1,K1,R1,R2,RAT= 109 109   -0.4244080715E-01     2.042432211        0.9575591929    
FOB,PFOB,DIAG,PSTEP=    0.5723937274E-05    0.5490898124E-05     13.91022404       -0.3947399917E-06
J1,K1,R1,R2,RAT= 110 110   -0.1507103306         2.150707093        0.8492896694    
FOB,PFOB,DIAG,PSTEP=   -0.1032403161E-04   -0.8971875149E-05     12.24381824        0.7327689367E-06
J1,K1,R1,R2,RAT= 111 111   -0.5677213262         2.567734707        0.4322786738    
FOB,PFOB,DIAG,PSTEP=   -0.1647422597E-05   -0.1050841473E-05     10.08844259        0.1041622067E-06
J1,K1,R1,R2,RAT= 112 112    0.3885954134         699.7501917        0.6114045866    
FOB,PFOB,DIAG,PSTEP=    0.3183106246E-01    0.3186643587E-01     9.102891158       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7903950176         1534.517819        0.2096049824    
FOB,PFOB,DIAG,PSTEP=    0.9797544359E-01    0.9787456573E-01     5.751949716       -0.2218894123E-04
J1,K1,R1,R2,RAT= 114 114    0.1643030832        -57791.39295        0.8356969168    
FOB,PFOB,DIAG,PSTEP=    0.9135977821        0.9135925873         3.161699824        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03183      0.09798      0.91360 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3818768569
 Log product of positive Hessian eigenvalues =          519.0736862202
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1616998243
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000071
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000073
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000166
 Unscaled step for mode   64=        0.0000000013
 Unscaled step for mode   65=       -0.0000000109
 Unscaled step for mode   66=        0.0000000056
 Unscaled step for mode   67=       -0.0000000160
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=        0.0000000126
 Unscaled step for mode   71=       -0.0000000069
 Unscaled step for mode   72=        0.0000000091
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=        0.0000000011
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=       -0.0000000164
 Unscaled step for mode   78=       -0.0000000092
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000161
 Unscaled step for mode   83=       -0.0000000030
 Unscaled step for mode   84=       -0.0000000064
 Unscaled step for mode   85=        0.0000000303
 Unscaled step for mode   86=        0.0000000089
 Unscaled step for mode   87=       -0.0000000150
 Unscaled step for mode   88=        0.0000000187
 Unscaled step for mode   89=       -0.0000000353
 Unscaled step for mode   90=        0.0000000381
 Unscaled step for mode   91=        0.0000000509
 Unscaled step for mode   92=       -0.0000000665
 Unscaled step for mode   93=        0.0000000636
 Unscaled step for mode   94=       -0.0000000116
 Unscaled step for mode   95=        0.0000000418
 Unscaled step for mode   96=       -0.0000000266
 Unscaled step for mode   97=        0.0000000771
 Unscaled step for mode   98=        0.0000000175
 Unscaled step for mode   99=       -0.0000000576
 Unscaled step for mode  100=       -0.0000000461
 Unscaled step for mode  101=        0.0000003469
 Unscaled step for mode  102=        0.0000000090
 Unscaled step for mode  103=        0.0000000919
 Unscaled step for mode  104=        0.0000000462
 Unscaled step for mode  105=        0.0000002751
 Unscaled step for mode  106=       -0.0000002508
 Unscaled step for mode  107=        0.0000011033
 Unscaled step for mode  108=        0.0000014868
 Unscaled step for mode  109=       -0.0000004115
 Unscaled step for mode  110=        0.0000008432
 Unscaled step for mode  111=        0.0000001633
 Unscaled step for mode  112=       -0.0034967652
 Unscaled step for mode  113=       -0.0170284927
 Unscaled step for mode  114=        0.2681763586
 Largest modulus ratio of non-zero e/values=           236.1938115    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.542101E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.101373E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.755038E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.231793E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.293358E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.376181E-14    0.974308E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173547E-06    0.746774E+03  0.232396E-09 0.100000E-04    0.995993E+00
   8   -0.422500E-06    0.674023E+03  0.626833E-09 0.100000E-04    0.956740E+00
   9   -0.751584E-06    0.630763E+03  0.119155E-08 0.100000E-04    0.953445E+00
  10   -0.448915E-07    0.600666E+03  0.747362E-10 0.109000E-04    0.907153E-01
  11    0.152437E-07    0.586354E+03 -0.259974E-10 0.100000E-04    0.838049E+00
  12   -0.107553E-05    0.578895E+03  0.185790E-08 0.100000E-04    0.949531E+00
  13    0.481092E-07    0.564807E+03 -0.851782E-10 0.100000E-04    0.934346E+00
  14    0.452676E-06    0.487445E+03 -0.928671E-09 0.100000E-04    0.938157E+00
  15   -0.453117E-06    0.460575E+03  0.983806E-09 0.100000E-04    0.946739E+00
  16   -0.138862E-06    0.459758E+03  0.302033E-09 0.100000E-04    0.805532E+00
  17   -0.620678E-06    0.441650E+03  0.140536E-08 0.100000E-04    0.913980E+00
  18   -0.433279E-06    0.429416E+03  0.100900E-08 0.100000E-04    0.941276E+00
  19   -0.129044E-06    0.421889E+03  0.305872E-09 0.100000E-04    0.796762E+00
  20   -0.395174E-06    0.407903E+03  0.968794E-09 0.100000E-04    0.931033E+00
  21   -0.449659E-06    0.396322E+03  0.113458E-08 0.100000E-04    0.927342E+00
  22   -0.649425E-06    0.387432E+03  0.167623E-08 0.100000E-04    0.994213E+00
  23    0.849545E-06    0.370042E+03 -0.229581E-08 0.100000E-04    0.930813E+00
  24   -0.441976E-06    0.360572E+03  0.122576E-08 0.100000E-04    0.981873E+00
  25   -0.605729E-07    0.349326E+03  0.173399E-09 0.100000E-04    0.641575E+00
  26   -0.317432E-07    0.335314E+03  0.946670E-10 0.100000E-04    0.399643E+00
  27    0.393005E-06    0.329326E+03 -0.119336E-08 0.100000E-04    0.897966E+00
  28   -0.414625E-06    0.321824E+03  0.128836E-08 0.100000E-04    0.906066E+00
  29   -0.112103E-06    0.319143E+03  0.351264E-09 0.109000E-04    0.781187E-01
  30   -0.141282E-05    0.309364E+03  0.456685E-08 0.100000E-04    0.968797E+00
  31   -0.107643E-05    0.300802E+03  0.357853E-08 0.100000E-04    0.961517E+00
  32   -0.127675E-05    0.290603E+03  0.439346E-08 0.100000E-04    0.974433E+00
  33   -0.476132E-07    0.279032E+03  0.170637E-09 0.100000E-04    0.591163E+01
  34   -0.224951E-07    0.272747E+03  0.824761E-10 0.100000E-04    0.346038E+00
  35    0.106039E-05    0.268544E+03 -0.394868E-08 0.100000E-04    0.975491E+00
  36    0.127923E-05    0.264962E+03 -0.482796E-08 0.100000E-04    0.986368E+00
  37   -0.527911E-06    0.263852E+03  0.200079E-08 0.100000E-04    0.902537E+00
  38   -0.141887E-06    0.253201E+03  0.560373E-09 0.100000E-04    0.979285E+00
  39   -0.369665E-06    0.241581E+03  0.153019E-08 0.100000E-04    0.916755E+00
  40   -0.128299E-05    0.240785E+03  0.532835E-08 0.100000E-04    0.989068E+00
  41   -0.100317E-05    0.234032E+03  0.428648E-08 0.100000E-04    0.993365E+00
  42   -0.175508E-05    0.227528E+03  0.771368E-08 0.100000E-04    0.971001E+00
  43   -0.159270E-07    0.217152E+03  0.733447E-10 0.100000E-04    0.928870E+00
  44   -0.202414E-05    0.214896E+03  0.941919E-08 0.100000E-04    0.972925E+00
  45    0.708654E-06    0.213253E+03 -0.332306E-08 0.100000E-04    0.983593E+00
  46    0.109969E-05    0.207689E+03 -0.529490E-08 0.100000E-04    0.984789E+00
  47   -0.773402E-06    0.202988E+03  0.381009E-08 0.100000E-04    0.969764E+00
  48   -0.126016E-05    0.195412E+03  0.644873E-08 0.100000E-04    0.936664E+00
  49    0.990582E-06    0.194851E+03 -0.508380E-08 0.100000E-04    0.953695E+00
  50    0.136084E-05    0.191374E+03 -0.711091E-08 0.100000E-04    0.886025E+00
  51    0.238855E-06    0.182978E+03 -0.130538E-08 0.100000E-04    0.870105E+00
  52   -0.625638E-06    0.174376E+03  0.358786E-08 0.100000E-04    0.937332E+00
  53    0.108375E-06    0.172343E+03 -0.628834E-09 0.100000E-04    0.844830E+00
  54   -0.216287E-06    0.168223E+03  0.128572E-08 0.100000E-04    0.945477E+00
  55   -0.840274E-06    0.163213E+03  0.514831E-08 0.100000E-04    0.991268E+00
  56    0.138878E-05    0.156868E+03 -0.885313E-08 0.100000E-04    0.976078E+00
  57   -0.396786E-06    0.154925E+03  0.256115E-08 0.100000E-04    0.827647E+00
  58    0.921083E-06    0.152251E+03 -0.604978E-08 0.100000E-04    0.996634E+00
  59   -0.642770E-06    0.146650E+03  0.438302E-08 0.100000E-04    0.998787E+00
  60   -0.222757E-06    0.143337E+03  0.155408E-08 0.100000E-04    0.695908E+00
  61   -0.100975E-05    0.138106E+03  0.731138E-08 0.100000E-04    0.815741E+00
  62    0.968436E-06    0.135873E+03 -0.712750E-08 0.100000E-04    0.975408E+00
  63    0.216343E-05    0.130285E+03 -0.166054E-07 0.100000E-04    0.924543E+00
  64   -0.169223E-06    0.128845E+03  0.131338E-08 0.109000E-04    0.173742E+00
  65    0.137976E-05    0.126904E+03 -0.108725E-07 0.100000E-04    0.888704E+00
  66   -0.694425E-06    0.124046E+03  0.559815E-08 0.100000E-04    0.887607E+00
  67    0.191497E-05    0.120016E+03 -0.159559E-07 0.100000E-04    0.965646E+00
  68    0.466337E-06    0.118171E+03 -0.394629E-08 0.100000E-04    0.936682E+00
  69   -0.662570E-07    0.116827E+03  0.567138E-09 0.100000E-04    0.304770E+01
  70   -0.138945E-05    0.110369E+03  0.125891E-07 0.100000E-04    0.950362E+00
  71    0.735613E-06    0.106822E+03 -0.688634E-08 0.100000E-04    0.921960E+00
  72   -0.953393E-06    0.104459E+03  0.912695E-08 0.100000E-04    0.885162E+00
  73    0.172428E-06    0.102857E+03 -0.167638E-08 0.100000E-04    0.724907E+00
  74    0.421224E-07    0.995107E+02 -0.423295E-09 0.100000E-04    0.515700E+00
  75   -0.109279E-06    0.960852E+02  0.113732E-08 0.100000E-04    0.475248E+00
  76    0.207797E-06    0.940976E+02 -0.220832E-08 0.100000E-04    0.867728E+00
  77    0.150883E-05    0.919583E+02 -0.164077E-07 0.100000E-04    0.964109E+00
  78    0.838923E-06    0.912368E+02 -0.919501E-08 0.100000E-04    0.975352E+00
  79   -0.735113E-06    0.884061E+02  0.831518E-08 0.100000E-04    0.988270E+00
  80   -0.552771E-06    0.856167E+02  0.645634E-08 0.100000E-04    0.918117E+00
  81    0.129557E-05    0.808367E+02 -0.160270E-07 0.100000E-04    0.995184E+00
  82   -0.129368E-05    0.805191E+02  0.160667E-07 0.100000E-04    0.938448E+00
  83    0.232326E-06    0.779511E+02 -0.298041E-08 0.100000E-04    0.823893E+00
  84    0.465716E-06    0.732797E+02 -0.635532E-08 0.100000E-04    0.344982E+00
  85   -0.219544E-05    0.725416E+02  0.302645E-07 0.100000E-04    0.891713E+00
  86   -0.607511E-06    0.679099E+02  0.894584E-08 0.100000E-04    0.844811E+00
  87    0.972003E-06    0.647420E+02 -0.150135E-07 0.100000E-04    0.782782E+00
  88   -0.114999E-05    0.613377E+02  0.187485E-07 0.100000E-04    0.965250E+00
  89    0.211154E-05    0.598305E+02 -0.352920E-07 0.100000E-04    0.948790E+00
  90   -0.226269E-05    0.594030E+02  0.380905E-07 0.100000E-04    0.980180E+00
  91   -0.295931E-05    0.581351E+02  0.509040E-07 0.100000E-04    0.930896E+00
  92    0.371399E-05    0.558686E+02 -0.664773E-07 0.100000E-04    0.954855E+00
  93   -0.333292E-05    0.524431E+02  0.635530E-07 0.100000E-04    0.986884E+00
  94    0.603997E-06    0.520200E+02 -0.116109E-07 0.100000E-04    0.862799E+00
  95   -0.209874E-05    0.502563E+02  0.417607E-07 0.100000E-04    0.883493E+00
  96    0.122770E-05    0.461471E+02 -0.266040E-07 0.100000E-04    0.933761E+00
  97   -0.334237E-05    0.433555E+02  0.770923E-07 0.100000E-04    0.888705E+00
  98   -0.716626E-06    0.409192E+02  0.175132E-07 0.100000E-04    0.533780E+00
  99    0.218127E-05    0.378667E+02 -0.576038E-07 0.100000E-04    0.793481E+00
 100    0.166999E-05    0.361989E+02 -0.461336E-07 0.100000E-04    0.894040E+00
 101   -0.111903E-04    0.322586E+02  0.346895E-06 0.100000E-04    0.947529E+00
 102   -0.260355E-06    0.289104E+02  0.900560E-08 0.100000E-04    0.570076E+01
 103   -0.261576E-05    0.284542E+02  0.919287E-07 0.100000E-04    0.963438E+00
 104   -0.121582E-05    0.263063E+02  0.462180E-07 0.100000E-04    0.822006E+00
 105   -0.641858E-05    0.233304E+02  0.275117E-06 0.100000E-04    0.934880E+00
 106    0.534979E-05    0.213332E+02 -0.250773E-06 0.100000E-04    0.968521E+00
 107   -0.219028E-04    0.198514E+02  0.110334E-05 0.100000E-04    0.927498E+00
 108   -0.244629E-04    0.164531E+02  0.148683E-05 0.100000E-04    0.937602E+00
 109    0.572394E-05    0.139102E+02 -0.411491E-06 0.100000E-04    0.957559E+00
 110   -0.103240E-04    0.122438E+02  0.843204E-06 0.100000E-04    0.849290E+00
 111   -0.164742E-05    0.100884E+02  0.163298E-06 0.100000E-04    0.432279E+00
 112    0.318311E-01    0.910289E+01 -0.100000E-04 0.100000E-04    0.611405E+00
 113    0.979754E-01    0.575195E+01 -0.199900E-04 0.199900E-04    0.209605E+00
 114    0.913598E+00    0.316170E+01  0.100000E-04 0.100000E-04    0.835697E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1999003715E-04    0.2681763586    

 Beginning of optimization cycle  632.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992775122
 potential> RMS force:                                               0.0861100255   |gradient|=.9194034806    
 Eigenvalues of the Hessian matrix:
   746.77773    674.02192    630.76553    600.66387    586.35351    578.89505 
   564.80278    487.44427    460.57403    459.75788    441.64928    429.41721 
   421.88848    407.90120    396.32183    387.43021    370.04248    360.57253 
   349.32574    335.31479    329.32714    321.82379    319.14361    309.36292 
   300.80187    290.60263    279.03364    272.74779    268.54425    264.96242 
   263.85221    253.20027    241.58142    240.78515    234.03303    227.52801 
   217.15257    214.89577    213.25299    207.68907    202.98775    195.41169 
   194.85125    191.37463    182.97865    174.37676    172.34325    168.22301 
   163.21316    156.86825    154.92519    152.25054    146.64952    143.33698 
   138.10667    135.87317    130.28455    128.84545    126.90375    124.04449 
   120.01615    118.17106    116.82653    110.36933    106.82184    104.45943 
   102.85732     99.51060     96.08506     94.09743     91.95791     91.23704 
    88.40563     85.61698     80.83679     80.51972     77.95092     73.27948 
    72.54102     67.90961     64.74152     61.33724     59.83030     59.40308 
    58.13509     55.86837     52.44305     52.01967     50.25690     46.14675 
    43.35602     40.91935     37.86671     36.19864     32.25824     28.91072 
    28.45428     26.30659     23.33026     21.33341     19.85131     16.45301 
    13.91028     12.24384     10.08837      9.10436      5.75212      3.16140 
overlap for current and previous eigenvector    109 is         0.9999999896
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999695
overlap for current and previous eigenvector    112 is         0.9999999376
overlap for current and previous eigenvector    113 is         0.9999999385
overlap for current and previous eigenvector    114 is         0.9999999694
J1,K1,R1,R2,RAT=   7   7   -0.1126583831E-01     2.011255658        0.9887341617    
FOB,PFOB,DIAG,PSTEP=   -0.1755022427E-06   -0.1735470794E-06     746.7777336        0.2323957384E-09
J1,K1,R1,R2,RAT=   8   8    0.4968405436E-01     1.950319464        0.9503159456    
FOB,PFOB,DIAG,PSTEP=   -0.4015086628E-06   -0.4225001461E-06     674.0219249        0.6268333228E-09
J1,K1,R1,R2,RAT=   9   9    0.5398001644E-01     1.946010801        0.9460108007    
FOB,PFOB,DIAG,PSTEP=   -0.7110131095E-06   -0.7515838017E-06     630.7655344        0.1191547749E-08
J1,K1,R1,R2,RAT=  10  10    0.6039032349         1.396104389        0.3960967651    
FOB,PFOB,DIAG,PSTEP=   -0.1778148776E-07   -0.4489151637E-07     600.6638671        0.7473621721E-10
J1,K1,R1,R2,RAT=  11  11    0.2436746931         1.756326999        0.7563253069    
FOB,PFOB,DIAG,PSTEP=    0.1152918021E-07    0.1524367486E-07     586.3535080       -0.2599739193E-10
J1,K1,R1,R2,RAT= 109 109    0.4581529510E-01     1.954176277        0.9541762773    
FOB,PFOB,DIAG,PSTEP=    0.5461692294E-05    0.5723937274E-05     13.91028266       -0.4114913790E-06
J1,K1,R1,R2,RAT= 110 110    0.1556681959         1.844328487        0.8443284874    
FOB,PFOB,DIAG,PSTEP=   -0.8716905568E-05   -0.1032403161E-04     12.24383855        0.8432035990E-06
J1,K1,R1,R2,RAT= 111 111    0.3498612622         1.650152543        0.6501387378    
FOB,PFOB,DIAG,PSTEP=   -0.1071057226E-05   -0.1647422597E-05     10.08837295        0.1632980098E-06
J1,K1,R1,R2,RAT= 112 112    0.4252082933         698.8238384        0.5747917067    
FOB,PFOB,DIAG,PSTEP=    0.3179234998E-01    0.3183106246E-01     9.104356340       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8488960086         1704.991817        0.1511039914    
FOB,PFOB,DIAG,PSTEP=    0.9807305390E-01    0.9797544359E-01     5.752115767       -0.1999003715E-04
J1,K1,R1,R2,RAT= 114 114    0.2211363228        -57797.20266        0.7788636772    
FOB,PFOB,DIAG,PSTEP=    0.9136047731        0.9135977821         3.161403098        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03179      0.09807      0.91360 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3818547816
 Log product of positive Hessian eigenvalues =          519.0737557174
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1614030977
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000060
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=       -0.0000000152
 Unscaled step for mode   64=        0.0000000005
 Unscaled step for mode   65=       -0.0000000096
 Unscaled step for mode   66=        0.0000000049
 Unscaled step for mode   67=       -0.0000000153
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000119
 Unscaled step for mode   71=       -0.0000000063
 Unscaled step for mode   72=        0.0000000105
 Unscaled step for mode   73=       -0.0000000012
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000026
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=       -0.0000000089
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000059
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000149
 Unscaled step for mode   83=       -0.0000000037
 Unscaled step for mode   84=       -0.0000000034
 Unscaled step for mode   85=        0.0000000268
 Unscaled step for mode   86=        0.0000000075
 Unscaled step for mode   87=       -0.0000000117
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000333
 Unscaled step for mode   90=        0.0000000371
 Unscaled step for mode   91=        0.0000000465
 Unscaled step for mode   92=       -0.0000000628
 Unscaled step for mode   93=        0.0000000623
 Unscaled step for mode   94=       -0.0000000136
 Unscaled step for mode   95=        0.0000000368
 Unscaled step for mode   96=       -0.0000000243
 Unscaled step for mode   97=        0.0000000678
 Unscaled step for mode   98=        0.0000000112
 Unscaled step for mode   99=       -0.0000000460
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=        0.0000003246
 Unscaled step for mode  102=       -0.0000000007
 Unscaled step for mode  103=        0.0000000881
 Unscaled step for mode  104=        0.0000000593
 Unscaled step for mode  105=        0.0000002542
 Unscaled step for mode  106=       -0.0000002410
 Unscaled step for mode  107=        0.0000010107
 Unscaled step for mode  108=        0.0000013782
 Unscaled step for mode  109=       -0.0000003926
 Unscaled step for mode  110=        0.0000007119
 Unscaled step for mode  111=        0.0000001062
 Unscaled step for mode  112=       -0.0034919506
 Unscaled step for mode  113=       -0.0170449561
 Unscaled step for mode  114=        0.2681999283
 Largest modulus ratio of non-zero e/values=           236.2171829    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.188781E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.140317E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.593235E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.353884E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.429396E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.401604E-14    0.974308E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175502E-06    0.746778E+03  0.235013E-09 0.100000E-04    0.988734E+00
   8   -0.401509E-06    0.674022E+03  0.595691E-09 0.100000E-04    0.950316E+00
   9   -0.711013E-06    0.630766E+03  0.112722E-08 0.100000E-04    0.946011E+00
  10   -0.177815E-07    0.600664E+03  0.296031E-10 0.100000E-04    0.396097E+00
  11    0.115292E-07    0.586354E+03 -0.196625E-10 0.100000E-04    0.756325E+00
  12   -0.101403E-05    0.578895E+03  0.175166E-08 0.100000E-04    0.942819E+00
  13    0.518376E-07    0.564803E+03 -0.917800E-10 0.100000E-04    0.922501E+00
  14    0.422265E-06    0.487444E+03 -0.866284E-09 0.100000E-04    0.932821E+00
  15   -0.425364E-06    0.460574E+03  0.923552E-09 0.100000E-04    0.938752E+00
  16   -0.111900E-06    0.459758E+03  0.243390E-09 0.100000E-04    0.805837E+00
  17   -0.562978E-06    0.441649E+03  0.127472E-08 0.100000E-04    0.907038E+00
  18   -0.403880E-06    0.429417E+03  0.940531E-09 0.100000E-04    0.932143E+00
  19   -0.167621E-06    0.421888E+03  0.397312E-09 0.100000E-04    0.701052E+00
  20   -0.364549E-06    0.407901E+03  0.893718E-09 0.100000E-04    0.922501E+00
  21   -0.413332E-06    0.396322E+03  0.104292E-08 0.100000E-04    0.919211E+00
  22   -0.643122E-06    0.387430E+03  0.165997E-08 0.100000E-04    0.990294E+00
  23    0.784299E-06    0.370042E+03 -0.211948E-08 0.100000E-04    0.923197E+00
  24   -0.432100E-06    0.360573E+03  0.119837E-08 0.100000E-04    0.977655E+00
  25   -0.996232E-07    0.349326E+03  0.285187E-09 0.100000E-04    0.355318E+00
  26   -0.901171E-07    0.335315E+03  0.268754E-09 0.100000E-04    0.838939E+00
  27    0.348315E-06    0.329327E+03 -0.105766E-08 0.100000E-04    0.886281E+00
  28   -0.370582E-06    0.321824E+03  0.115151E-08 0.100000E-04    0.893777E+00
  29   -0.385040E-07    0.319144E+03  0.120648E-09 0.100000E-04    0.343466E+00
  30   -0.135485E-05    0.309363E+03  0.437948E-08 0.100000E-04    0.958969E+00
  31   -0.102764E-05    0.300802E+03  0.341634E-08 0.100000E-04    0.954676E+00
  32   -0.123568E-05    0.290603E+03  0.425212E-08 0.100000E-04    0.967830E+00
  33    0.258251E-08    0.279034E+03 -0.925519E-11 0.109000E-04    0.542341E-01
  34   -0.748379E-07    0.272748E+03  0.274385E-09 0.100000E-04    0.132684E+01
  35    0.102637E-05    0.268544E+03 -0.382199E-08 0.100000E-04    0.967916E+00
  36    0.125666E-05    0.264962E+03 -0.474280E-08 0.100000E-04    0.982360E+00
  37   -0.472683E-06    0.263852E+03  0.179147E-08 0.100000E-04    0.895381E+00
  38   -0.145074E-06    0.253200E+03  0.572963E-09 0.100000E-04    0.977537E+00
  39   -0.412391E-06    0.241581E+03  0.170705E-08 0.100000E-04    0.884420E+00
  40   -0.126406E-05    0.240785E+03  0.524975E-08 0.100000E-04    0.985248E+00
  41   -0.101160E-05    0.234033E+03  0.432246E-08 0.100000E-04    0.991602E+00
  42   -0.168901E-05    0.227528E+03  0.742332E-08 0.100000E-04    0.962357E+00
  43   -0.129400E-07    0.217153E+03  0.595892E-10 0.100000E-04    0.812451E+00
  44   -0.195785E-05    0.214896E+03  0.911069E-08 0.100000E-04    0.967247E+00
  45    0.720078E-06    0.213253E+03 -0.337664E-08 0.100000E-04    0.983879E+00
  46    0.108147E-05    0.207689E+03 -0.520715E-08 0.100000E-04    0.983426E+00
  47   -0.746654E-06    0.202988E+03  0.367832E-08 0.100000E-04    0.965415E+00
  48   -0.116583E-05    0.195412E+03  0.596602E-08 0.100000E-04    0.925144E+00
  49    0.939264E-06    0.194851E+03 -0.482042E-08 0.100000E-04    0.948191E+00
  50    0.119248E-05    0.191375E+03 -0.623112E-08 0.100000E-04    0.876274E+00
  51    0.205309E-06    0.182979E+03 -0.112204E-08 0.100000E-04    0.859546E+00
  52   -0.579441E-06    0.174377E+03  0.332292E-08 0.100000E-04    0.926152E+00
  53    0.132898E-06    0.172343E+03 -0.771124E-09 0.100000E-04    0.773724E+00
  54   -0.230130E-06    0.168223E+03  0.136801E-08 0.100000E-04    0.935994E+00
  55   -0.843841E-06    0.163213E+03  0.517018E-08 0.100000E-04    0.995755E+00
  56    0.134940E-05    0.156868E+03 -0.860213E-08 0.100000E-04    0.971647E+00
  57   -0.329825E-06    0.154925E+03  0.212893E-08 0.100000E-04    0.831236E+00
  58    0.920957E-06    0.152251E+03 -0.604896E-08 0.100000E-04    0.999863E+00
  59   -0.641090E-06    0.146650E+03  0.437158E-08 0.100000E-04    0.997386E+00
  60   -0.163101E-06    0.143337E+03  0.113788E-08 0.100000E-04    0.732189E+00
  61   -0.823046E-06    0.138107E+03  0.595949E-08 0.100000E-04    0.815094E+00
  62    0.937877E-06    0.135873E+03 -0.690259E-08 0.100000E-04    0.968445E+00
  63    0.197815E-05    0.130285E+03 -0.151833E-07 0.100000E-04    0.914360E+00
  64   -0.583028E-07    0.128845E+03  0.452502E-09 0.100000E-04    0.344531E+00
  65    0.121713E-05    0.126904E+03 -0.959099E-08 0.100000E-04    0.882128E+00
  66   -0.613340E-06    0.124044E+03  0.494452E-08 0.100000E-04    0.883234E+00
  67    0.183618E-05    0.120016E+03 -0.152995E-07 0.100000E-04    0.958857E+00
  68    0.433020E-06    0.118171E+03 -0.366435E-08 0.100000E-04    0.928553E+00
  69   -0.768031E-08    0.116827E+03  0.657412E-10 0.109000E-04    0.115914E+00
  70   -0.130962E-05    0.110369E+03  0.118658E-07 0.100000E-04    0.942540E+00
  71    0.672287E-06    0.106822E+03 -0.629353E-08 0.100000E-04    0.913914E+00
  72   -0.110082E-05    0.104459E+03  0.105382E-07 0.100000E-04    0.845367E+00
  73    0.127674E-06    0.102857E+03 -0.124127E-08 0.100000E-04    0.740446E+00
  74    0.864642E-07    0.995106E+02 -0.868894E-09 0.109000E-04    0.526901E-01
  75   -0.249139E-06    0.960851E+02  0.259290E-08 0.100000E-04    0.279844E+00
  76    0.177165E-06    0.940974E+02 -0.188279E-08 0.100000E-04    0.852587E+00
  77   -0.157199E-05    0.919579E+02  0.170947E-07 0.100000E-04    0.958137E+00
  78    0.810375E-06    0.912370E+02 -0.888209E-08 0.100000E-04    0.965966E+00
  79   -0.721451E-06    0.884056E+02  0.816069E-08 0.100000E-04    0.981415E+00
  80   -0.504524E-06    0.856170E+02  0.589280E-08 0.100000E-04    0.912712E+00
  81    0.128413E-05    0.808368E+02 -0.158855E-07 0.100000E-04    0.991171E+00
  82   -0.120277E-05    0.805197E+02  0.149376E-07 0.100000E-04    0.929711E+00
  83    0.290411E-06    0.779509E+02 -0.372556E-08 0.100000E-04    0.749987E+00
  84    0.246168E-06    0.732795E+02 -0.335931E-08 0.100000E-04    0.528579E+00
  85   -0.194606E-05    0.725410E+02  0.268270E-07 0.100000E-04    0.886409E+00
  86   -0.508233E-06    0.679096E+02  0.748396E-08 0.100000E-04    0.836581E+00
  87    0.759762E-06    0.647415E+02 -0.117353E-07 0.100000E-04    0.781645E+00
  88   -0.119085E-05    0.613372E+02  0.194147E-07 0.100000E-04    0.964471E+00
  89    0.199081E-05    0.598303E+02 -0.332742E-07 0.100000E-04    0.942823E+00
  90   -0.220455E-05    0.594031E+02  0.371117E-07 0.100000E-04    0.974300E+00
  91   -0.270514E-05    0.581351E+02  0.465319E-07 0.100000E-04    0.914111E+00
  92    0.350975E-05    0.558684E+02 -0.628217E-07 0.100000E-04    0.945007E+00
  93   -0.326695E-05    0.524430E+02  0.622953E-07 0.100000E-04    0.980208E+00
  94    0.709800E-06    0.520197E+02 -0.136448E-07 0.100000E-04    0.824827E+00
  95   -0.184773E-05    0.502569E+02  0.367658E-07 0.100000E-04    0.880380E+00
  96    0.112138E-05    0.461467E+02 -0.243004E-07 0.100000E-04    0.913402E+00
  97   -0.293935E-05    0.433560E+02  0.677956E-07 0.100000E-04    0.879396E+00
  98   -0.457312E-06    0.409194E+02  0.111759E-07 0.100000E-04    0.638141E+00
  99    0.174201E-05    0.378667E+02 -0.460037E-07 0.100000E-04    0.798621E+00
 100    0.147835E-05    0.361986E+02 -0.408399E-07 0.100000E-04    0.885245E+00
 101   -0.104713E-04    0.322582E+02  0.324610E-06 0.100000E-04    0.935746E+00
 102    0.188602E-07    0.289107E+02 -0.652359E-09 0.109000E-04    0.724278E-01
 103   -0.250766E-05    0.284543E+02  0.881295E-07 0.100000E-04    0.958670E+00
 104   -0.155931E-05    0.263066E+02  0.592744E-07 0.100000E-04    0.717492E+00
 105   -0.593049E-05    0.233303E+02  0.254197E-06 0.100000E-04    0.923956E+00
 106    0.514064E-05    0.213334E+02 -0.240967E-06 0.100000E-04    0.960883E+00
 107   -0.200635E-04    0.198513E+02  0.101069E-05 0.100000E-04    0.916024E+00
 108   -0.226762E-04    0.164530E+02  0.137824E-05 0.100000E-04    0.926962E+00
 109    0.546169E-05    0.139103E+02 -0.392637E-06 0.100000E-04    0.954176E+00
 110   -0.871691E-05    0.122438E+02  0.711942E-06 0.100000E-04    0.844328E+00
 111   -0.107106E-05    0.100884E+02  0.106167E-06 0.100000E-04    0.650139E+00
 112    0.317923E-01    0.910436E+01 -0.100000E-04 0.100000E-04    0.574792E+00
 113    0.980731E-01    0.575212E+01 -0.217891E-04 0.217891E-04    0.151104E+00
 114    0.913605E+00    0.316140E+01  0.100000E-04 0.100000E-04    0.778864E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2178914049E-04    0.2681999283    

 Beginning of optimization cycle  633.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992708290
 potential> RMS force:                                               0.0861114209   |gradient|=.9194183792    
 Eigenvalues of the Hessian matrix:
   746.78162    674.02054    630.76852    600.66160    586.35295    578.89524 
   564.79868    487.44388    460.57271    459.75734    441.64868    429.41854 
   421.88784    407.89954    396.32124    387.42876    370.04296    360.57271 
   349.32503    335.31545    329.32803    321.82352    319.14432    309.36175 
   300.80131    290.60271    279.03515    272.74826    268.54452    264.96274 
   263.85285    253.19968    241.58176    240.78555    234.03384    227.52835 
   217.15333    214.89591    213.25270    207.68958    202.98733    195.41087 
   194.85164    191.37510    182.97941    174.37752    172.34350    168.22330 
   163.21283    156.86803    154.92571    152.25035    146.64891    143.33657 
   138.10720    135.87317    130.28428    128.84566    126.90395    124.04335 
   120.01633    118.17119    116.82609    110.36958    106.82167    104.45965 
   102.85739     99.51053     96.08486     94.09719     91.95750     91.23726 
    88.40511     85.61729     80.83688     80.52041     77.95069     73.27925 
    72.54043     67.90930     64.74106     61.33678     59.83004     59.40317 
    58.13505     55.86814     52.44294     52.01928     50.25750     46.14631 
    43.35659     40.91946     37.86665     36.19827     32.25786     28.91105 
    28.45434     26.30687     23.33017     21.33365     19.85122     16.45290 
    13.91034     12.24386     10.08831      9.10590      5.75230      3.16110 
overlap for current and previous eigenvector    109 is         0.9999999883
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999642
overlap for current and previous eigenvector    112 is         0.9999999290
overlap for current and previous eigenvector    113 is         0.9999999319
overlap for current and previous eigenvector    114 is         0.9999999658
J1,K1,R1,R2,RAT=   7   7    0.3977857242E-02     1.996011741        0.9960117408    
FOB,PFOB,DIAG,PSTEP=   -0.1748041162E-06   -0.1755022427E-06     746.7816176        0.2350126883E-09
J1,K1,R1,R2,RAT=   8   8   -0.4285661400E-01     2.042860734        0.9571433860    
FOB,PFOB,DIAG,PSTEP=   -0.4187159291E-06   -0.4015086628E-06     674.0205365        0.5956908046E-09
J1,K1,R1,R2,RAT=   9   9   -0.4612651422E-01     2.046117042        0.9538734858    
FOB,PFOB,DIAG,PSTEP=   -0.7438098211E-06   -0.7110131095E-06     630.7685219        0.1127222511E-08
J1,K1,R1,R2,RAT=  10  10    -1.295044839         3.295052391        0.2950448387    
FOB,PFOB,DIAG,PSTEP=   -0.4080922474E-07   -0.1778148776E-07     600.6615989        0.2960305877E-10
J1,K1,R1,R2,RAT=  11  11   -0.1784031240         2.178405035        0.8215968760    
FOB,PFOB,DIAG,PSTEP=    0.1358602001E-07    0.1152918021E-07     586.3529478       -0.1966250743E-10
J1,K1,R1,R2,RAT= 109 109   -0.4173470636E-01     2.041726102        0.9582652936    
FOB,PFOB,DIAG,PSTEP=    0.5689635399E-05    0.5461692294E-05     13.91034250       -0.3926370461E-06
J1,K1,R1,R2,RAT= 110 110   -0.1523613735         2.152358034        0.8476386265    
FOB,PFOB,DIAG,PSTEP=   -0.1004502749E-04   -0.8716905568E-05     12.24385899        0.7119422177E-06
J1,K1,R1,R2,RAT= 111 111   -0.5498015681         2.549814849        0.4501984319    
FOB,PFOB,DIAG,PSTEP=   -0.1659922258E-05   -0.1071057226E-05     10.08830596        0.1061674892E-06
J1,K1,R1,R2,RAT= 112 112    0.3956577737         697.8843521        0.6043422263    
FOB,PFOB,DIAG,PSTEP=    0.3175632176E-01    0.3179234998E-01     9.105902940       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7949745156         1565.736745        0.2050254844    
FOB,PFOB,DIAG,PSTEP=    0.9817269413E-01    0.9807305390E-01     5.752298478       -0.2178914049E-04
J1,K1,R1,R2,RAT= 114 114    0.1754036748        -57803.21178        0.8245963252    
FOB,PFOB,DIAG,PSTEP=    0.9136103178        0.9136047731         3.161096131        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03176      0.09817      0.91361 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3818341286
 Log product of positive Hessian eigenvalues =          519.0738300384
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1610961307
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=        0.0000000071
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000163
 Unscaled step for mode   64=        0.0000000012
 Unscaled step for mode   65=       -0.0000000107
 Unscaled step for mode   66=        0.0000000055
 Unscaled step for mode   67=       -0.0000000158
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=       -0.0000000068
 Unscaled step for mode   72=        0.0000000094
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000014
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=       -0.0000000091
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000159
 Unscaled step for mode   83=       -0.0000000031
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=        0.0000000297
 Unscaled step for mode   86=        0.0000000087
 Unscaled step for mode   87=       -0.0000000144
 Unscaled step for mode   88=        0.0000000187
 Unscaled step for mode   89=       -0.0000000350
 Unscaled step for mode   90=       -0.0000000378
 Unscaled step for mode   91=       -0.0000000498
 Unscaled step for mode   92=       -0.0000000656
 Unscaled step for mode   93=       -0.0000000631
 Unscaled step for mode   94=        0.0000000118
 Unscaled step for mode   95=       -0.0000000410
 Unscaled step for mode   96=        0.0000000259
 Unscaled step for mode   97=        0.0000000754
 Unscaled step for mode   98=        0.0000000166
 Unscaled step for mode   99=       -0.0000000557
 Unscaled step for mode  100=       -0.0000000452
 Unscaled step for mode  101=        0.0000003416
 Unscaled step for mode  102=        0.0000000071
 Unscaled step for mode  103=        0.0000000913
 Unscaled step for mode  104=        0.0000000494
 Unscaled step for mode  105=        0.0000002707
 Unscaled step for mode  106=       -0.0000002484
 Unscaled step for mode  107=        0.0000010840
 Unscaled step for mode  108=        0.0000014640
 Unscaled step for mode  109=       -0.0000004090
 Unscaled step for mode  110=        0.0000008204
 Unscaled step for mode  111=        0.0000001645
 Unscaled step for mode  112=       -0.0034874011
 Unscaled step for mode  113=       -0.0170617217
 Unscaled step for mode  114=        0.2682238861
 Largest modulus ratio of non-zero e/values=           236.2413501    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.778240E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.151702E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.307514E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.336915E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.315503E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.349167E-14    0.974308E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174804E-06    0.746782E+03  0.234077E-09 0.100000E-04    0.996012E+00
   8   -0.418716E-06    0.674021E+03  0.621221E-09 0.100000E-04    0.957143E+00
   9   -0.743810E-06    0.630769E+03  0.117921E-08 0.100000E-04    0.953873E+00
  10   -0.408092E-07    0.600662E+03  0.679405E-10 0.100000E-04    0.295045E+00
  11    0.135860E-07    0.586353E+03 -0.231704E-10 0.100000E-04    0.821597E+00
  12   -0.106473E-05    0.578895E+03  0.183925E-08 0.100000E-04    0.949996E+00
  13    0.485068E-07    0.564799E+03 -0.858834E-10 0.100000E-04    0.935745E+00
  14    0.448139E-06    0.487444E+03 -0.919366E-09 0.100000E-04    0.938725E+00
  15   -0.447862E-06    0.460573E+03  0.972402E-09 0.100000E-04    0.947110E+00
  16   -0.134111E-06    0.459757E+03  0.291699E-09 0.100000E-04    0.801518E+00
  17   -0.611256E-06    0.441649E+03  0.138403E-08 0.100000E-04    0.914246E+00
  18   -0.427469E-06    0.429419E+03  0.995460E-09 0.100000E-04    0.941595E+00
  19   -0.135249E-06    0.421888E+03  0.320581E-09 0.100000E-04    0.806875E+00
  20   -0.389565E-06    0.407900E+03  0.955052E-09 0.100000E-04    0.931376E+00
  21   -0.443245E-06    0.396321E+03  0.111840E-08 0.100000E-04    0.927629E+00
  22   -0.646744E-06    0.387429E+03  0.166932E-08 0.100000E-04    0.994367E+00
  23    0.838262E-06    0.370043E+03 -0.226531E-08 0.100000E-04    0.931196E+00
  24   -0.439784E-06    0.360573E+03  0.121968E-08 0.100000E-04    0.982217E+00
  25   -0.663580E-07    0.349325E+03  0.189961E-09 0.100000E-04    0.666089E+00
  26   -0.432068E-07    0.335315E+03  0.128854E-09 0.100000E-04    0.479449E+00
  27    0.384048E-06    0.329328E+03 -0.116616E-08 0.100000E-04    0.897411E+00
  28   -0.405553E-06    0.321824E+03  0.126017E-08 0.100000E-04    0.905633E+00
  29   -0.956941E-07    0.319144E+03  0.299846E-09 0.100000E-04    0.485303E+00
  30   -0.139681E-05    0.309362E+03  0.451514E-08 0.100000E-04    0.969027E+00
  31   -0.106678E-05    0.300801E+03  0.354647E-08 0.100000E-04    0.961912E+00
  32   -0.126689E-05    0.290603E+03  0.435954E-08 0.100000E-04    0.974738E+00
  33   -0.383320E-07    0.279035E+03  0.137373E-09 0.100000E-04    0.128429E+02
  34   -0.330133E-07    0.272748E+03  0.121040E-09 0.100000E-04    0.441129E+00
  35    0.105124E-05    0.268545E+03 -0.391460E-08 0.100000E-04    0.975768E+00
  36    0.127347E-05    0.264963E+03 -0.480621E-08 0.100000E-04    0.986630E+00
  37   -0.518731E-06    0.263853E+03  0.196599E-08 0.100000E-04    0.902583E+00
  38   -0.142088E-06    0.253200E+03  0.561169E-09 0.100000E-04    0.979414E+00
  39   -0.379380E-06    0.241582E+03  0.157040E-08 0.100000E-04    0.919949E+00
  40   -0.127762E-05    0.240786E+03  0.530606E-08 0.100000E-04    0.989273E+00
  41   -0.100494E-05    0.234034E+03  0.429398E-08 0.100000E-04    0.993407E+00
  42   -0.173751E-05    0.227528E+03  0.763644E-08 0.100000E-04    0.971289E+00
  43   -0.139605E-07    0.217153E+03  0.642888E-10 0.100000E-04    0.921131E+00
  44   -0.201013E-05    0.214896E+03  0.935397E-08 0.100000E-04    0.973296E+00
  45    0.708412E-06    0.213253E+03 -0.332194E-08 0.100000E-04    0.983798E+00
  46    0.109759E-05    0.207690E+03 -0.528476E-08 0.100000E-04    0.985092E+00
  47   -0.768900E-06    0.202987E+03  0.378792E-08 0.100000E-04    0.970206E+00
  48   -0.123957E-05    0.195411E+03  0.634338E-08 0.100000E-04    0.936753E+00
  49    0.982337E-06    0.194852E+03 -0.504146E-08 0.100000E-04    0.954142E+00
  50    0.132918E-05    0.191375E+03 -0.694539E-08 0.100000E-04    0.885368E+00
  51    0.232290E-06    0.182979E+03 -0.126948E-08 0.100000E-04    0.868584E+00
  52   -0.615687E-06    0.174378E+03  0.353077E-08 0.100000E-04    0.937445E+00
  53    0.113363E-06    0.172343E+03 -0.657775E-09 0.100000E-04    0.853007E+00
  54   -0.217868E-06    0.168223E+03  0.129511E-08 0.100000E-04    0.946711E+00
  55   -0.836460E-06    0.163213E+03  0.512496E-08 0.100000E-04    0.991253E+00
  56    0.138119E-05    0.156868E+03 -0.880479E-08 0.100000E-04    0.976442E+00
  57   -0.387108E-06    0.154926E+03  0.249867E-08 0.100000E-04    0.826323E+00
  58    0.917850E-06    0.152250E+03 -0.602856E-08 0.100000E-04    0.996626E+00
  59   -0.640254E-06    0.146649E+03  0.436590E-08 0.100000E-04    0.998695E+00
  60   -0.214132E-06    0.143337E+03  0.149391E-08 0.100000E-04    0.687119E+00
  61   -0.977395E-06    0.138107E+03  0.707707E-08 0.100000E-04    0.812467E+00
  62    0.960677E-06    0.135873E+03 -0.707040E-08 0.100000E-04    0.975689E+00
  63    0.212729E-05    0.130284E+03 -0.163281E-07 0.100000E-04    0.924607E+00
  64   -0.148185E-06    0.128846E+03  0.115009E-08 0.100000E-04    0.541633E+00
  65    0.135281E-05    0.126904E+03 -0.106601E-07 0.100000E-04    0.888530E+00
  66   -0.682326E-06    0.124043E+03  0.550070E-08 0.100000E-04    0.887524E+00
  67    0.189855E-05    0.120016E+03 -0.158191E-07 0.100000E-04    0.966034E+00
  68    0.460259E-06    0.118171E+03 -0.389485E-08 0.100000E-04    0.937095E+00
  69   -0.598658E-07    0.116826E+03  0.512435E-09 0.100000E-04    0.579473E+01
  70    0.137406E-05    0.110370E+03 -0.124497E-07 0.100000E-04    0.950789E+00
  71    0.724680E-06    0.106822E+03 -0.678402E-08 0.100000E-04    0.922067E+00
  72   -0.979176E-06    0.104460E+03  0.937373E-08 0.100000E-04    0.889494E+00
  73    0.164124E-06    0.102857E+03 -0.159565E-08 0.100000E-04    0.714502E+00
  74    0.476140E-07    0.995105E+02 -0.478482E-09 0.100000E-04    0.550678E+00
  75   -0.130525E-06    0.960849E+02  0.135844E-08 0.100000E-04    0.523904E+00
  76    0.200880E-06    0.940972E+02 -0.213482E-08 0.100000E-04    0.866142E+00
  77    0.151672E-05    0.919575E+02 -0.164938E-07 0.100000E-04    0.964842E+00
  78    0.830134E-06    0.912373E+02 -0.909863E-08 0.100000E-04    0.975617E+00
  79   -0.729831E-06    0.884051E+02  0.825553E-08 0.100000E-04    0.988384E+00
  80   -0.545702E-06    0.856173E+02  0.637374E-08 0.100000E-04    0.918383E+00
  81    0.129015E-05    0.808369E+02 -0.159599E-07 0.100000E-04    0.995316E+00
  82   -0.127646E-05    0.805204E+02  0.158527E-07 0.100000E-04    0.938729E+00
  83    0.241454E-06    0.779507E+02 -0.309753E-08 0.100000E-04    0.831423E+00
  84    0.427162E-06    0.732793E+02 -0.582923E-08 0.100000E-04    0.264755E+00
  85   -0.215685E-05    0.725404E+02  0.297331E-07 0.100000E-04    0.891680E+00
  86   -0.588333E-06    0.679093E+02  0.866351E-08 0.100000E-04    0.842394E+00
  87    0.930277E-06    0.647411E+02 -0.143692E-07 0.100000E-04    0.775566E+00
  88   -0.114986E-05    0.613368E+02  0.187467E-07 0.100000E-04    0.965585E+00
  89    0.209158E-05    0.598300E+02 -0.349588E-07 0.100000E-04    0.949379E+00
  90    0.224779E-05    0.594032E+02 -0.378396E-07 0.100000E-04    0.980385E+00
  91    0.289276E-05    0.581350E+02 -0.497593E-07 0.100000E-04    0.930642E+00
  92    0.366736E-05    0.558681E+02 -0.656432E-07 0.100000E-04    0.955091E+00
  93    0.330922E-05    0.524429E+02 -0.631013E-07 0.100000E-04    0.987063E+00
  94   -0.615236E-06    0.520193E+02  0.118271E-07 0.100000E-04    0.866772E+00
  95    0.206292E-05    0.502575E+02 -0.410471E-07 0.100000E-04    0.883540E+00
  96   -0.119614E-05    0.461463E+02  0.259206E-07 0.100000E-04    0.933334E+00
  97   -0.326786E-05    0.433566E+02  0.753716E-07 0.100000E-04    0.888240E+00
  98   -0.681269E-06    0.409195E+02  0.166490E-07 0.100000E-04    0.510278E+00
  99    0.210884E-05    0.378667E+02 -0.556911E-07 0.100000E-04    0.789422E+00
 100    0.163545E-05    0.361983E+02 -0.451804E-07 0.100000E-04    0.893730E+00
 101   -0.110191E-04    0.322579E+02  0.341594E-06 0.100000E-04    0.947690E+00
 102   -0.203995E-06    0.289110E+02  0.705596E-08 0.100000E-04    0.881608E+01
 103   -0.259818E-05    0.284543E+02  0.913105E-07 0.100000E-04    0.963903E+00
 104   -0.129966E-05    0.263069E+02  0.494038E-07 0.100000E-04    0.833465E+00
 105   -0.631612E-05    0.233302E+02  0.270728E-06 0.100000E-04    0.934975E+00
 106    0.530022E-05    0.213336E+02 -0.248444E-06 0.100000E-04    0.968957E+00
 107   -0.215184E-04    0.198512E+02  0.108398E-05 0.100000E-04    0.927488E+00
 108   -0.240877E-04    0.164529E+02  0.146404E-05 0.100000E-04    0.937755E+00
 109    0.568964E-05    0.139103E+02 -0.409022E-06 0.100000E-04    0.958265E+00
 110   -0.100450E-04    0.122439E+02  0.820414E-06 0.100000E-04    0.847639E+00
 111   -0.165992E-05    0.100883E+02  0.164539E-06 0.100000E-04    0.450198E+00
 112    0.317563E-01    0.910590E+01 -0.100000E-04 0.100000E-04    0.604342E+00
 113    0.981727E-01    0.575230E+01 -0.196299E-04 0.196299E-04    0.205025E+00
 114    0.913610E+00    0.316110E+01  0.100000E-04 0.100000E-04    0.824596E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1962985630E-04    0.2682238861    

 Beginning of optimization cycle  634.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992639359
 potential> RMS force:                                               0.0861129391   |gradient|=.9194345897    
 Eigenvalues of the Hessian matrix:
   746.78538    674.01938    630.77139    600.65932    586.35247    578.89542 
   564.79485    487.44360    460.57143    459.75681    441.64815    429.41971 
   421.88723    407.89799    396.32070    387.42736    370.04342    360.57285 
   349.32428    335.31605    329.32887    321.82332    319.14487    309.36063 
   300.80069    290.60276    279.03653    272.74869    268.54472    264.96305 
   263.85339    253.19906    241.58201    240.78592    234.03456    227.52861 
   217.15398    214.89605    213.25243    207.69004    202.98693    195.41008 
   194.85197    191.37555    182.98009    174.37821    172.34372    168.22355 
   163.21253    156.86781    154.92620    152.25018    146.64834    143.33620 
   138.10769    135.87317    130.28406    128.84586    126.90416    124.04229 
   120.01651    118.17133    116.82570    110.36981    106.82153    104.45988 
   102.85747     99.51047     96.08468     94.09699     91.95709     91.23746 
    88.40462     85.61757     80.83695     80.52105     77.95049     73.27908 
    72.53990     67.90904     64.74063     61.33633     59.82980     59.40328 
    58.13502     55.86794     52.44285     52.01894     50.25806     46.14592 
    43.35714     40.91958     37.86663     36.19799     32.25749     28.91138 
    28.45440     26.30714     23.33006     21.33390     19.85111     16.45281 
    13.91040     12.24388     10.08824      9.10735      5.75246      3.16080 
overlap for current and previous eigenvector    109 is         0.9999999898
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999700
overlap for current and previous eigenvector    112 is         0.9999999388
overlap for current and previous eigenvector    113 is         0.9999999401
overlap for current and previous eigenvector    114 is         0.9999999703
J1,K1,R1,R2,RAT=   7   7   -0.1109450766E-01     2.011084419        0.9889054923    
FOB,PFOB,DIAG,PSTEP=   -0.1767434916E-06   -0.1748041162E-06     746.7853847        0.2340766191E-09
J1,K1,R1,R2,RAT=   8   8    0.4922214904E-01     1.950781292        0.9507778510    
FOB,PFOB,DIAG,PSTEP=   -0.3981058667E-06   -0.4187159291E-06     674.0193769        0.6212213225E-09
J1,K1,R1,R2,RAT=   9   9    0.5349593610E-01     1.946494968        0.9464949680    
FOB,PFOB,DIAG,PSTEP=   -0.7040188375E-06   -0.7438098211E-06     630.7713907        0.1179212017E-08
J1,K1,R1,R2,RAT=  10  10    0.6533581082         1.346649496        0.3466418918    
FOB,PFOB,DIAG,PSTEP=   -0.1414628824E-07   -0.4080922474E-07     600.6593151        0.6794045901E-10
J1,K1,R1,R2,RAT=  11  11    0.2660642502         1.733937395        0.7339357498    
FOB,PFOB,DIAG,PSTEP=    0.9971268759E-08    0.1358602001E-07     586.3524653       -0.2317037897E-10
J1,K1,R1,R2,RAT= 109 109    0.4509188205E-01     1.954899679        0.9548996788    
FOB,PFOB,DIAG,PSTEP=    0.5433077948E-05    0.5689635399E-05     13.91040120       -0.4090219488E-06
J1,K1,R1,R2,RAT= 110 110    0.1571580206         1.842838565        0.8428385645    
FOB,PFOB,DIAG,PSTEP=   -0.8466368158E-05   -0.1004502749E-04     12.24387990        0.8204135230E-06
J1,K1,R1,R2,RAT= 111 111    0.3433447765         1.656668928        0.6566552235    
FOB,PFOB,DIAG,PSTEP=   -0.1090000527E-05   -0.1659922258E-05     10.08823683        0.1645392462E-06
J1,K1,R1,R2,RAT= 112 112    0.4315712230         696.9460760        0.5684287770    
FOB,PFOB,DIAG,PSTEP=    0.3171701705E-01    0.3175632176E-01     9.107352921       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8541016669         1739.655277        0.1458983331    
FOB,PFOB,DIAG,PSTEP=    0.9826913927E-01    0.9817269413E-01     5.752460690       -0.1962985630E-04
J1,K1,R1,R2,RAT= 114 114    0.2312845396        -57809.01885        0.7687154604    
FOB,PFOB,DIAG,PSTEP=    0.9136176282        0.9136103178         3.160800827        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03172      0.09827      0.91362 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3818118323
 Log product of positive Hessian eigenvalues =          519.0738986738
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1608008274
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000061
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000057
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=       -0.0000000149
 Unscaled step for mode   64=        0.0000000003
 Unscaled step for mode   65=       -0.0000000094
 Unscaled step for mode   66=        0.0000000049
 Unscaled step for mode   67=       -0.0000000152
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000117
 Unscaled step for mode   71=       -0.0000000062
 Unscaled step for mode   72=        0.0000000108
 Unscaled step for mode   73=       -0.0000000012
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000028
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=        0.0000000088
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000058
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000147
 Unscaled step for mode   83=       -0.0000000038
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=        0.0000000264
 Unscaled step for mode   86=        0.0000000072
 Unscaled step for mode   87=       -0.0000000111
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000330
 Unscaled step for mode   90=       -0.0000000369
 Unscaled step for mode   91=       -0.0000000455
 Unscaled step for mode   92=       -0.0000000621
 Unscaled step for mode   93=       -0.0000000619
 Unscaled step for mode   94=        0.0000000138
 Unscaled step for mode   95=       -0.0000000361
 Unscaled step for mode   96=        0.0000000237
 Unscaled step for mode   97=        0.0000000662
 Unscaled step for mode   98=        0.0000000104
 Unscaled step for mode   99=       -0.0000000443
 Unscaled step for mode  100=       -0.0000000400
 Unscaled step for mode  101=        0.0000003197
 Unscaled step for mode  102=       -0.0000000024
 Unscaled step for mode  103=        0.0000000876
 Unscaled step for mode  104=        0.0000000623
 Unscaled step for mode  105=        0.0000002502
 Unscaled step for mode  106=       -0.0000002389
 Unscaled step for mode  107=        0.0000009930
 Unscaled step for mode  108=        0.0000013574
 Unscaled step for mode  109=       -0.0000003906
 Unscaled step for mode  110=        0.0000006915
 Unscaled step for mode  111=        0.0000001080
 Unscaled step for mode  112=       -0.0034825303
 Unscaled step for mode  113=       -0.0170779921
 Unscaled step for mode  114=        0.2682474395
 Largest modulus ratio of non-zero e/values=           236.2646131    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.614851E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.153599E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.341524E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.895542E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.111293E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.437602E-14    0.974308E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176743E-06    0.746785E+03  0.236672E-09 0.100000E-04    0.988905E+00
   8   -0.398106E-06    0.674019E+03  0.590645E-09 0.100000E-04    0.950778E+00
   9   -0.704019E-06    0.630771E+03  0.111612E-08 0.100000E-04    0.946495E+00
  10   -0.141463E-07    0.600659E+03  0.235513E-10 0.100000E-04    0.346642E+00
  11    0.997127E-08    0.586352E+03 -0.170056E-10 0.100000E-04    0.733936E+00
  12   -0.100440E-05    0.578895E+03  0.173502E-08 0.100000E-04    0.943330E+00
  13    0.521835E-07    0.564795E+03 -0.923937E-10 0.100000E-04    0.924203E+00
  14    0.418296E-06    0.487444E+03 -0.858143E-09 0.100000E-04    0.933406E+00
  15   -0.420614E-06    0.460571E+03  0.913245E-09 0.100000E-04    0.939161E+00
  16   -0.107620E-06    0.459757E+03  0.234079E-09 0.100000E-04    0.802468E+00
  17   -0.554590E-06    0.441648E+03  0.125573E-08 0.100000E-04    0.907296E+00
  18   -0.398613E-06    0.429420E+03  0.928259E-09 0.100000E-04    0.932489E+00
  19   -0.173195E-06    0.421887E+03  0.410526E-09 0.100000E-04    0.719435E+00
  20   -0.359515E-06    0.407898E+03  0.881385E-09 0.100000E-04    0.922862E+00
  21   -0.407570E-06    0.396321E+03  0.102838E-08 0.100000E-04    0.919514E+00
  22   -0.640615E-06    0.387427E+03  0.165351E-08 0.100000E-04    0.990524E+00
  23    0.774225E-06    0.370043E+03 -0.209225E-08 0.100000E-04    0.923605E+00
  24   -0.430140E-06    0.360573E+03  0.119293E-08 0.100000E-04    0.978069E+00
  25   -0.104752E-06    0.349324E+03  0.299872E-09 0.100000E-04    0.421404E+00
  26   -0.100635E-06    0.335316E+03  0.300120E-09 0.100000E-04    0.329147E+00
  27    0.340154E-06    0.329329E+03 -0.103287E-08 0.100000E-04    0.885703E+00
  28   -0.362284E-06    0.321823E+03  0.112572E-08 0.100000E-04    0.893309E+00
  29   -0.233080E-07    0.319145E+03  0.730325E-10 0.100000E-04    0.243565E+00
  30   -0.133992E-05    0.309361E+03  0.433124E-08 0.100000E-04    0.959266E+00
  31   -0.101892E-05    0.300801E+03  0.338737E-08 0.100000E-04    0.955135E+00
  32   -0.122662E-05    0.290603E+03  0.422095E-08 0.100000E-04    0.968209E+00
  33    0.110502E-07    0.279037E+03 -0.396012E-10 0.100000E-04    0.288269E+00
  34   -0.845229E-07    0.272749E+03  0.309893E-09 0.100000E-04    0.560263E+00
  35    0.101790E-05    0.268545E+03 -0.379041E-08 0.100000E-04    0.968276E+00
  36    0.125144E-05    0.264963E+03 -0.472308E-08 0.100000E-04    0.982703E+00
  37   -0.464490E-06    0.263853E+03  0.176041E-08 0.100000E-04    0.895432E+00
  38   -0.145260E-06    0.253199E+03  0.573700E-09 0.100000E-04    0.977672E+00
  39   -0.421408E-06    0.241582E+03  0.174437E-08 0.100000E-04    0.889218E+00
  40   -0.125912E-05    0.240786E+03  0.522922E-08 0.100000E-04    0.985516E+00
  41   -0.101333E-05    0.234035E+03  0.432983E-08 0.100000E-04    0.991647E+00
  42   -0.167273E-05    0.227529E+03  0.735175E-08 0.100000E-04    0.962718E+00
  43   -0.110594E-07    0.217154E+03  0.509286E-10 0.100000E-04    0.792182E+00
  44   -0.194519E-05    0.214896E+03  0.905179E-08 0.100000E-04    0.967694E+00
  45    0.719701E-06    0.213252E+03 -0.337488E-08 0.100000E-04    0.984064E+00
  46    0.107978E-05    0.207690E+03 -0.519901E-08 0.100000E-04    0.983771E+00
  47   -0.742698E-06    0.202987E+03  0.365885E-08 0.100000E-04    0.965923E+00
  48   -0.114689E-05    0.195410E+03  0.586915E-08 0.100000E-04    0.925235E+00
  49    0.931912E-06    0.194852E+03 -0.478266E-08 0.100000E-04    0.948664E+00
  50    0.116389E-05    0.191376E+03 -0.608170E-08 0.100000E-04    0.875642E+00
  51    0.199324E-06    0.182980E+03 -0.108932E-08 0.100000E-04    0.858076E+00
  52   -0.570303E-06    0.174378E+03  0.327050E-08 0.100000E-04    0.926279E+00
  53    0.137424E-06    0.172344E+03 -0.797381E-09 0.100000E-04    0.787758E+00
  54   -0.231488E-06    0.168224E+03  0.137607E-08 0.100000E-04    0.937483E+00
  55   -0.840102E-06    0.163213E+03  0.514729E-08 0.100000E-04    0.995645E+00
  56    0.134262E-05    0.156868E+03 -0.855895E-08 0.100000E-04    0.972078E+00
  57   -0.321351E-06    0.154926E+03  0.207422E-08 0.100000E-04    0.830125E+00
  58    0.917795E-06    0.152250E+03 -0.602821E-08 0.100000E-04    0.999941E+00
  59   -0.638698E-06    0.146648E+03  0.435530E-08 0.100000E-04    0.997570E+00
  60   -0.155511E-06    0.143336E+03  0.108494E-08 0.100000E-04    0.726239E+00
  61   -0.793983E-06    0.138108E+03  0.574901E-08 0.100000E-04    0.812340E+00
  62    0.930688E-06    0.135873E+03 -0.684968E-08 0.100000E-04    0.968783E+00
  63    0.194526E-05    0.130284E+03 -0.149309E-07 0.100000E-04    0.914428E+00
  64   -0.390449E-07    0.128846E+03  0.303035E-09 0.100000E-04    0.263486E+00
  65    0.119315E-05    0.126904E+03 -0.940196E-08 0.100000E-04    0.881977E+00
  66   -0.602604E-06    0.124042E+03  0.485805E-08 0.100000E-04    0.883161E+00
  67    0.182132E-05    0.120017E+03 -0.151756E-07 0.100000E-04    0.959320E+00
  68    0.427578E-06    0.118171E+03 -0.361829E-08 0.100000E-04    0.928991E+00
  69   -0.232994E-08    0.116826E+03  0.199438E-10 0.109000E-04    0.389163E-01
  70    0.129578E-05    0.110370E+03 -0.117403E-07 0.100000E-04    0.943021E+00
  71    0.662341E-06    0.106822E+03 -0.620045E-08 0.100000E-04    0.913977E+00
  72   -0.112422E-05    0.104460E+03  0.107622E-07 0.100000E-04    0.851876E+00
  73    0.120258E-06    0.102857E+03 -0.116917E-08 0.100000E-04    0.732720E+00
  74    0.911414E-07    0.995105E+02 -0.915897E-09 0.109000E-04    0.858262E-01
  75   -0.268052E-06    0.960847E+02  0.278975E-08 0.109000E-04    0.536416E-01
  76    0.170960E-06    0.940970E+02 -0.181685E-08 0.100000E-04    0.851055E+00
  77   -0.157892E-05    0.919571E+02  0.171702E-07 0.100000E-04    0.958991E+00
  78   -0.802146E-06    0.912375E+02  0.879185E-08 0.100000E-04    0.966281E+00
  79   -0.716381E-06    0.884046E+02  0.810344E-08 0.100000E-04    0.981571E+00
  80   -0.498200E-06    0.856176E+02  0.581890E-08 0.100000E-04    0.912947E+00
  81    0.127903E-05    0.808370E+02 -0.158224E-07 0.100000E-04    0.991383E+00
  82   -0.118717E-05    0.805210E+02  0.147436E-07 0.100000E-04    0.930029E+00
  83    0.298752E-06    0.779505E+02 -0.383258E-08 0.100000E-04    0.762699E+00
  84    0.211570E-06    0.732791E+02 -0.288717E-08 0.100000E-04    0.495290E+00
  85   -0.191177E-05    0.725399E+02  0.263547E-07 0.100000E-04    0.886369E+00
  86   -0.490890E-06    0.679090E+02  0.722864E-08 0.100000E-04    0.834373E+00
  87    0.721594E-06    0.647406E+02 -0.111459E-07 0.100000E-04    0.775675E+00
  88   -0.119040E-05    0.613363E+02  0.194078E-07 0.100000E-04    0.964745E+00
  89    0.197337E-05    0.598298E+02 -0.329830E-07 0.100000E-04    0.943479E+00
  90    0.219062E-05    0.594033E+02 -0.368771E-07 0.100000E-04    0.974564E+00
  91    0.264345E-05    0.581350E+02 -0.454710E-07 0.100000E-04    0.913818E+00
  92    0.346668E-05    0.558679E+02 -0.620513E-07 0.100000E-04    0.945277E+00
  93    0.324459E-05    0.524428E+02 -0.618690E-07 0.100000E-04    0.980470E+00
  94   -0.719435E-06    0.520189E+02  0.138303E-07 0.100000E-04    0.830634E+00
  95    0.181636E-05    0.502581E+02 -0.361406E-07 0.100000E-04    0.880456E+00
  96   -0.109189E-05    0.461459E+02  0.236617E-07 0.100000E-04    0.912843E+00
  97   -0.287237E-05    0.433571E+02  0.662490E-07 0.100000E-04    0.878953E+00
  98   -0.426343E-06    0.409196E+02  0.104190E-07 0.100000E-04    0.625803E+00
  99    0.167718E-05    0.378666E+02 -0.442918E-07 0.100000E-04    0.795312E+00
 100    0.144725E-05    0.361980E+02 -0.399814E-07 0.100000E-04    0.884920E+00
 101   -0.103131E-04    0.322575E+02  0.319712E-06 0.100000E-04    0.935931E+00
 102    0.706964E-07    0.289114E+02 -0.244528E-08 0.100000E-04    0.346544E+00
 103   -0.249218E-05    0.284544E+02  0.875850E-07 0.100000E-04    0.959197E+00
 104   -0.163850E-05    0.263071E+02  0.622836E-07 0.100000E-04    0.739286E+00
 105   -0.583648E-05    0.233301E+02  0.250170E-06 0.100000E-04    0.924061E+00
 106    0.509581E-05    0.213339E+02 -0.238860E-06 0.100000E-04    0.961410E+00
 107   -0.197112E-04    0.198511E+02  0.992954E-06 0.100000E-04    0.916019E+00
 108   -0.223324E-04    0.164528E+02  0.135736E-05 0.100000E-04    0.927128E+00
 109    0.543308E-05    0.139104E+02 -0.390577E-06 0.100000E-04    0.954900E+00
 110   -0.846637E-05    0.122439E+02  0.691478E-06 0.100000E-04    0.842839E+00
 111   -0.109000E-05    0.100882E+02  0.108047E-06 0.100000E-04    0.656655E+00
 112    0.317170E-01    0.910735E+01 -0.100000E-04 0.100000E-04    0.568429E+00
 113    0.982691E-01    0.575246E+01 -0.213965E-04 0.213965E-04    0.145898E+00
 114    0.913618E+00    0.316080E+01  0.100000E-04 0.100000E-04    0.768715E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2139654337E-04    0.2682474395    

 Beginning of optimization cycle  635.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992572176
 potential> RMS force:                                               0.0861143546   |gradient|=.9194497026    
 Eigenvalues of the Hessian matrix:
   746.78923    674.01802    630.77435    600.65705    586.35192    578.89560 
   564.79079    487.44323    460.57012    459.75626    441.64757    429.42101 
   421.88660    407.89634    396.32013    387.42592    370.04390    360.57302 
   349.32357    335.31669    329.32975    321.82306    319.14555    309.35947 
   300.80012    290.60283    279.03802    272.74916    268.54498    264.96338 
   263.85401    253.19847    241.58234    240.78631    234.03536    227.52894 
   217.15472    214.89619    213.25214    207.69054    202.98652    195.40927 
   194.85234    191.37601    182.98083    174.37895    172.34397    168.22383 
   163.21220    156.86759    154.92672    152.25000    146.64774    143.33580 
   138.10822    135.87317    130.28380    128.84607    126.90436    124.04116 
   120.01669    118.17146    116.82527    110.37005    106.82136    104.46011 
   102.85755     99.51040     96.08448     94.09676     91.95669     91.23768 
    88.40411     85.61787     80.83704     80.52173     77.95026     73.27886 
    72.53932     67.90873     64.74018     61.33588     59.82955     59.40337 
    58.13498     55.86771     52.44274     52.01856     50.25866     46.14549 
    43.35771     40.91969     37.86658     36.19764     32.25711     28.91171 
    28.45446     26.30742     23.32997     21.33414     19.85102     16.45270 
    13.91046     12.24390     10.08817      9.10888      5.75264      3.16050 
overlap for current and previous eigenvector    109 is         0.9999999885
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999648
overlap for current and previous eigenvector    112 is         0.9999999304
overlap for current and previous eigenvector    113 is         0.9999999337
overlap for current and previous eigenvector    114 is         0.9999999668
J1,K1,R1,R2,RAT=   7   7    0.3957474111E-02     1.996032220        0.9960322199    
FOB,PFOB,DIAG,PSTEP=   -0.1760440302E-06   -0.1767434916E-06     746.7892329        0.2366724031E-09
J1,K1,R1,R2,RAT=   8   8   -0.4245306126E-01     2.042457093        0.9575469387    
FOB,PFOB,DIAG,PSTEP=   -0.4150066454E-06   -0.3981058667E-06     674.0180182        0.5906445428E-09
J1,K1,R1,R2,RAT=   9   9   -0.4569745124E-01     2.045688071        0.9543025488    
FOB,PFOB,DIAG,PSTEP=   -0.7361908549E-06   -0.7040188375E-06     630.7743489        0.1116123603E-08
J1,K1,R1,R2,RAT=  10  10    -1.600556550         3.600564083        0.6005565497    
FOB,PFOB,DIAG,PSTEP=   -0.3678813727E-07   -0.1414628824E-07     600.6570526        0.2355126757E-10
J1,K1,R1,R2,RAT=  11  11   -0.1996671234         2.199668983        0.8003328766    
FOB,PFOB,DIAG,PSTEP=    0.1196220146E-07    0.9971268759E-08     586.3519201       -0.1700558853E-10
J1,K1,R1,R2,RAT= 109 109   -0.4103637521E-01     2.041027763        0.9589636248    
FOB,PFOB,DIAG,PSTEP=    0.5656032733E-05    0.5433077948E-05     13.91046110       -0.3905766534E-06
J1,K1,R1,R2,RAT= 110 110   -0.1540805798         2.154077141        0.8459194202    
FOB,PFOB,DIAG,PSTEP=   -0.9770873316E-05   -0.8466368158E-05     12.24390095        0.6914775569E-06
J1,K1,R1,R2,RAT= 111 111   -0.5331822812         2.533195465        0.4668177188    
FOB,PFOB,DIAG,PSTEP=   -0.1671165663E-05   -0.1090000527E-05     10.08817034        0.1080466830E-06
J1,K1,R1,R2,RAT= 112 112    0.4025853397         695.9949365        0.5974146603    
FOB,PFOB,DIAG,PSTEP=    0.3168034602E-01    0.3171701705E-01     9.108882802       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7996795320         1597.547712        0.2003204680    
FOB,PFOB,DIAG,PSTEP=    0.9836756910E-01    0.9826913927E-01     5.752639245       -0.2139654337E-04
J1,K1,R1,R2,RAT= 114 114    0.1863305744        -57815.02229        0.8136694256    
FOB,PFOB,DIAG,PSTEP=    0.9136235172        0.9136176282         3.160495444        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03168      0.09837      0.91362 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3817909351
 Log product of positive Hessian eigenvalues =          519.0739720298
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1604954438
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000068
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000161
 Unscaled step for mode   64=        0.0000000010
 Unscaled step for mode   65=       -0.0000000105
 Unscaled step for mode   66=        0.0000000054
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=       -0.0000000067
 Unscaled step for mode   72=        0.0000000096
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000016
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=       -0.0000000166
 Unscaled step for mode   78=        0.0000000090
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000156
 Unscaled step for mode   83=       -0.0000000032
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=        0.0000000292
 Unscaled step for mode   86=        0.0000000084
 Unscaled step for mode   87=       -0.0000000137
 Unscaled step for mode   88=        0.0000000187
 Unscaled step for mode   89=       -0.0000000346
 Unscaled step for mode   90=       -0.0000000376
 Unscaled step for mode   91=       -0.0000000486
 Unscaled step for mode   92=       -0.0000000648
 Unscaled step for mode   93=       -0.0000000627
 Unscaled step for mode   94=        0.0000000120
 Unscaled step for mode   95=       -0.0000000403
 Unscaled step for mode   96=        0.0000000252
 Unscaled step for mode   97=        0.0000000737
 Unscaled step for mode   98=        0.0000000158
 Unscaled step for mode   99=       -0.0000000538
 Unscaled step for mode  100=       -0.0000000442
 Unscaled step for mode  101=        0.0000003364
 Unscaled step for mode  102=        0.0000000051
 Unscaled step for mode  103=        0.0000000907
 Unscaled step for mode  104=        0.0000000525
 Unscaled step for mode  105=        0.0000002664
 Unscaled step for mode  106=       -0.0000002462
 Unscaled step for mode  107=        0.0000010650
 Unscaled step for mode  108=        0.0000014416
 Unscaled step for mode  109=       -0.0000004066
 Unscaled step for mode  110=        0.0000007980
 Unscaled step for mode  111=        0.0000001657
 Unscaled step for mode  112=       -0.0034779197
 Unscaled step for mode  113=       -0.0170945577
 Unscaled step for mode  114=        0.2682713758
 Largest modulus ratio of non-zero e/values=           236.2886599    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.688577E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.240248E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.304059E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.190277E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.589475E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.428894E-14    0.974309E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176044E-06    0.746789E+03  0.235735E-09 0.100000E-04    0.996032E+00
   8   -0.415007E-06    0.674018E+03  0.615720E-09 0.100000E-04    0.957547E+00
   9   -0.736191E-06    0.630774E+03  0.116712E-08 0.100000E-04    0.954303E+00
  10   -0.367881E-07    0.600657E+03  0.612465E-10 0.100000E-04    0.600557E+00
  11    0.119622E-07    0.586352E+03 -0.204011E-10 0.100000E-04    0.800333E+00
  12   -0.105415E-05    0.578896E+03  0.182097E-08 0.100000E-04    0.950461E+00
  13    0.489016E-07    0.564791E+03 -0.865836E-10 0.100000E-04    0.937108E+00
  14    0.443689E-06    0.487443E+03 -0.910238E-09 0.100000E-04    0.939294E+00
  15   -0.442704E-06    0.460570E+03  0.961209E-09 0.100000E-04    0.947482E+00
  16   -0.129439E-06    0.459756E+03  0.281538E-09 0.100000E-04    0.797253E+00
  17   -0.602000E-06    0.441648E+03  0.136308E-08 0.100000E-04    0.914515E+00
  18   -0.421766E-06    0.429421E+03  0.982173E-09 0.100000E-04    0.941915E+00
  19   -0.141360E-06    0.421887E+03  0.335066E-09 0.100000E-04    0.816187E+00
  20   -0.384062E-06    0.407896E+03  0.941567E-09 0.100000E-04    0.931723E+00
  21   -0.436948E-06    0.396320E+03  0.110251E-08 0.100000E-04    0.927919E+00
  22   -0.644127E-06    0.387426E+03  0.166258E-08 0.100000E-04    0.994518E+00
  23    0.827195E-06    0.370044E+03 -0.223540E-08 0.100000E-04    0.931583E+00
  24   -0.437643E-06    0.360573E+03  0.121374E-08 0.100000E-04    0.982556E+00
  25   -0.720530E-07    0.349324E+03  0.206264E-09 0.100000E-04    0.687840E+00
  26   -0.544877E-07    0.335317E+03  0.162496E-09 0.100000E-04    0.541435E+00
  27    0.375245E-06    0.329330E+03 -0.113942E-08 0.100000E-04    0.896838E+00
  28   -0.396634E-06    0.321823E+03  0.123246E-08 0.100000E-04    0.905186E+00
  29   -0.795452E-07    0.319146E+03  0.249244E-09 0.100000E-04    0.141279E+01
  30   -0.138111E-05    0.309359E+03  0.446441E-08 0.100000E-04    0.969258E+00
  31   -0.105733E-05    0.300800E+03  0.351505E-08 0.100000E-04    0.962307E+00
  32   -0.125723E-05    0.290603E+03  0.432630E-08 0.100000E-04    0.975041E+00
  33   -0.291940E-07    0.279038E+03  0.104624E-09 0.100000E-04    0.641937E+00
  34   -0.433756E-07    0.272749E+03  0.159031E-09 0.100000E-04    0.513180E+00
  35    0.104228E-05    0.268545E+03 -0.388121E-08 0.100000E-04    0.976044E+00
  36    0.126785E-05    0.264963E+03 -0.478501E-08 0.100000E-04    0.986888E+00
  37   -0.509717E-06    0.263854E+03  0.193182E-08 0.100000E-04    0.902631E+00
  38   -0.142289E-06    0.253198E+03  0.561968E-09 0.100000E-04    0.979548E+00
  39   -0.388943E-06    0.241582E+03  0.160998E-08 0.100000E-04    0.922957E+00
  40   -0.127237E-05    0.240786E+03  0.528425E-08 0.100000E-04    0.989475E+00
  41   -0.100670E-05    0.234035E+03  0.430150E-08 0.100000E-04    0.993452E+00
  42   -0.172028E-05    0.227529E+03  0.756070E-08 0.100000E-04    0.971577E+00
  43   -0.120441E-07    0.217155E+03  0.554631E-10 0.100000E-04    0.910961E+00
  44   -0.199642E-05    0.214896E+03  0.929016E-08 0.100000E-04    0.973665E+00
  45    0.708189E-06    0.213252E+03 -0.332090E-08 0.100000E-04    0.984004E+00
  46    0.109556E-05    0.207691E+03 -0.527495E-08 0.100000E-04    0.985390E+00
  47   -0.764501E-06    0.202987E+03  0.376626E-08 0.100000E-04    0.970644E+00
  48   -0.121932E-05    0.195409E+03  0.623984E-08 0.100000E-04    0.936844E+00
  49    0.974232E-06    0.194852E+03 -0.499985E-08 0.100000E-04    0.954588E+00
  50    0.129809E-05    0.191376E+03 -0.678295E-08 0.100000E-04    0.884691E+00
  51    0.225834E-06    0.182981E+03 -0.123419E-08 0.100000E-04    0.867001E+00
  52   -0.605913E-06    0.174379E+03  0.347469E-08 0.100000E-04    0.937559E+00
  53    0.118252E-06    0.172344E+03 -0.686140E-09 0.100000E-04    0.860491E+00
  54   -0.219432E-06    0.168224E+03  0.130440E-08 0.100000E-04    0.947916E+00
  55   -0.832744E-06    0.163212E+03  0.510222E-08 0.100000E-04    0.991241E+00
  56    0.137377E-05    0.156868E+03 -0.875752E-08 0.100000E-04    0.976801E+00
  57   -0.377602E-06    0.154927E+03  0.243729E-08 0.100000E-04    0.824954E+00
  58    0.914695E-06    0.152250E+03 -0.600785E-08 0.100000E-04    0.996622E+00
  59   -0.637809E-06    0.146648E+03  0.434926E-08 0.100000E-04    0.998607E+00
  60   -0.205645E-06    0.143336E+03  0.143471E-08 0.100000E-04    0.677618E+00
  61   -0.945622E-06    0.138108E+03  0.684696E-08 0.100000E-04    0.809016E+00
  62    0.953054E-06    0.135873E+03 -0.701429E-08 0.100000E-04    0.975968E+00
  63    0.209179E-05    0.130284E+03 -0.160556E-07 0.100000E-04    0.924672E+00
  64   -0.127457E-06    0.128846E+03  0.989218E-09 0.100000E-04    0.126436E+01
  65    0.132636E-05    0.126904E+03 -0.104516E-07 0.100000E-04    0.888355E+00
  66   -0.670431E-06    0.124041E+03  0.540491E-08 0.100000E-04    0.887442E+00
  67    0.188248E-05    0.120017E+03 -0.156852E-07 0.100000E-04    0.966421E+00
  68    0.454296E-06    0.118171E+03 -0.384438E-08 0.100000E-04    0.937512E+00
  69   -0.535862E-07    0.116825E+03  0.458686E-09 0.100000E-04    0.209990E+02
  70    0.135899E-05    0.110370E+03 -0.123130E-07 0.100000E-04    0.951217E+00
  71    0.713888E-06    0.106821E+03 -0.668301E-08 0.100000E-04    0.922174E+00
  72   -0.100458E-05    0.104460E+03  0.961690E-08 0.100000E-04    0.893581E+00
  73    0.155975E-06    0.102858E+03 -0.151642E-08 0.100000E-04    0.702993E+00
  74    0.529853E-07    0.995104E+02 -0.532460E-09 0.100000E-04    0.581352E+00
  75   -0.151453E-06    0.960845E+02  0.157625E-08 0.100000E-04    0.565014E+00
  76    0.194129E-06    0.940968E+02 -0.206308E-08 0.100000E-04    0.864479E+00
  77    0.152454E-05    0.919567E+02 -0.165789E-07 0.100000E-04    0.965559E+00
  78   -0.821493E-06    0.912377E+02  0.900388E-08 0.100000E-04    0.975882E+00
  79   -0.724622E-06    0.884041E+02  0.819670E-08 0.100000E-04    0.988496E+00
  80   -0.538728E-06    0.856179E+02  0.629224E-08 0.100000E-04    0.918652E+00
  81    0.128486E-05    0.808370E+02 -0.158944E-07 0.100000E-04    0.995446E+00
  82   -0.125957E-05    0.805217E+02  0.156426E-07 0.100000E-04    0.939013E+00
  83    0.250490E-06    0.779503E+02 -0.321346E-08 0.100000E-04    0.838457E+00
  84    0.389296E-06    0.732789E+02 -0.531253E-08 0.109000E-04    0.159957E+00
  85   -0.211892E-05    0.725393E+02  0.292106E-07 0.100000E-04    0.891645E+00
  86   -0.569505E-06    0.679087E+02  0.838632E-08 0.100000E-04    0.839852E+00
  87    0.889214E-06    0.647402E+02 -0.137351E-07 0.100000E-04    0.767706E+00
  88   -0.114984E-05    0.613359E+02  0.187466E-07 0.100000E-04    0.965926E+00
  89    0.207210E-05    0.598295E+02 -0.346333E-07 0.100000E-04    0.949968E+00
  90    0.223314E-05    0.594034E+02 -0.375929E-07 0.100000E-04    0.980590E+00
  91    0.282749E-05    0.581350E+02 -0.486367E-07 0.100000E-04    0.930380E+00
  92    0.362154E-05    0.558677E+02 -0.648235E-07 0.100000E-04    0.955328E+00
  93    0.328599E-05    0.524427E+02 -0.626586E-07 0.100000E-04    0.987240E+00
  94   -0.626331E-06    0.520186E+02  0.120405E-07 0.100000E-04    0.870587E+00
  95    0.202780E-05    0.502587E+02 -0.403473E-07 0.100000E-04    0.883591E+00
  96   -0.116517E-05    0.461455E+02  0.252499E-07 0.100000E-04    0.932887E+00
  97   -0.319476E-05    0.433577E+02  0.736838E-07 0.100000E-04    0.887763E+00
  98   -0.646450E-06    0.409197E+02  0.157980E-07 0.100000E-04    0.483735E+00
  99    0.203758E-05    0.378666E+02 -0.538095E-07 0.100000E-04    0.785115E+00
 100    0.160150E-05    0.361976E+02 -0.442433E-07 0.100000E-04    0.893412E+00
 101   -0.108509E-04    0.322571E+02  0.336388E-06 0.100000E-04    0.947851E+00
 102   -0.148524E-06    0.289117E+02  0.513717E-08 0.109000E-04    0.100864E+00
 103   -0.258099E-05    0.284545E+02  0.907058E-07 0.100000E-04    0.964365E+00
 104   -0.138241E-05    0.263074E+02  0.525482E-07 0.100000E-04    0.843681E+00
 105   -0.621544E-05    0.233300E+02  0.266414E-06 0.100000E-04    0.935071E+00
 106    0.525179E-05    0.213341E+02 -0.246168E-06 0.100000E-04    0.969392E+00
 107   -0.211407E-04    0.198510E+02  0.106497E-05 0.100000E-04    0.927479E+00
 108   -0.237190E-04    0.164527E+02  0.144165E-05 0.100000E-04    0.937909E+00
 109    0.565603E-05    0.139105E+02 -0.406603E-06 0.100000E-04    0.958964E+00
 110   -0.977087E-05    0.122439E+02  0.798020E-06 0.100000E-04    0.845919E+00
 111   -0.167117E-05    0.100882E+02  0.165656E-06 0.100000E-04    0.466818E+00
 112    0.316803E-01    0.910888E+01 -0.100000E-04 0.100000E-04    0.597415E+00
 113    0.983676E-01    0.575264E+01 -0.192762E-04 0.192762E-04    0.200320E+00
 114    0.913624E+00    0.316050E+01  0.100000E-04 0.100000E-04    0.813669E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1927616519E-04    0.2682713758    

 Beginning of optimization cycle  636.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992502927
 potential> RMS force:                                               0.0861158910   |gradient|=.9194661065    
 Eigenvalues of the Hessian matrix:
   746.79297    674.01688    630.77719    600.65477    586.35145    578.89577 
   564.78701    487.44297    460.56885    459.75574    441.64705    429.42215 
   421.88598    407.89480    396.31959    387.42453    370.04436    360.57315 
   349.32281    335.31728    329.33058    321.82287    319.14608    309.35835 
   300.79949    290.60288    279.03938    272.74959    268.54517    264.96368 
   263.85454    253.19785    241.58257    240.78668    234.03606    227.52919 
   217.15537    214.89633    213.25187    207.69100    202.98613    195.40848 
   194.85266    191.37646    182.98150    174.37963    172.34419    168.22407 
   163.21190    156.86737    154.92720    152.24983    146.64718    143.33544 
   138.10870    135.87316    130.28358    128.84627    126.90457    124.04012 
   120.01687    118.17159    116.82489    110.37028    106.82122    104.46034 
   102.85763     99.51034     96.08430     94.09656     91.95628     91.23787 
    88.40362     85.61815     80.83711     80.52236     77.95006     73.27869 
    72.53880     67.90848     64.73976     61.33543     59.82931     59.40348 
    58.13495     55.86752     52.44265     52.01822     50.25922     46.14509 
    43.35824     40.91981     37.86657     36.19737     32.25675     28.91203 
    28.45451     26.30768     23.32986     21.33440     19.85092     16.45261 
    13.91052     12.24392     10.08810      9.11032      5.75280      3.16020 
overlap for current and previous eigenvector    109 is         0.9999999900
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999706
overlap for current and previous eigenvector    112 is         0.9999999400
overlap for current and previous eigenvector    113 is         0.9999999416
overlap for current and previous eigenvector    114 is         0.9999999712
J1,K1,R1,R2,RAT=   7   7   -0.1092442418E-01     2.010914425        0.9890755758    
FOB,PFOB,DIAG,PSTEP=   -0.1779672195E-06   -0.1760440302E-06     746.7929666        0.2357345587E-09
J1,K1,R1,R2,RAT=   8   8    0.4876002066E-01     1.951243344        0.9512399793    
FOB,PFOB,DIAG,PSTEP=   -0.3947709468E-06   -0.4150066454E-06     674.0168843        0.6157204024E-09
J1,K1,R1,R2,RAT=   9   9    0.5301135262E-01     1.946979637        0.9469796366    
FOB,PFOB,DIAG,PSTEP=   -0.6971642060E-06   -0.7361908549E-06     630.7771908        0.1167122373E-08
J1,K1,R1,R2,RAT=  10  10    0.7127989583         1.287208627        0.2872010417    
FOB,PFOB,DIAG,PSTEP=   -0.1056569080E-07   -0.3678813727E-07     600.6547745        0.6124649183E-10
J1,K1,R1,R2,RAT=  11  11    0.2940874727         1.705914127        0.7059125273    
FOB,PFOB,DIAG,PSTEP=    0.8444270676E-08    0.1196220146E-07     586.3514512       -0.2040106129E-10
J1,K1,R1,R2,RAT= 109 109    0.4437493618E-01     1.955616613        0.9556166129    
FOB,PFOB,DIAG,PSTEP=    0.5405045581E-05    0.5656032733E-05     13.91051988       -0.4066028216E-06
J1,K1,R1,R2,RAT= 110 110    0.1587048671         1.841291621        0.8412916213    
FOB,PFOB,DIAG,PSTEP=   -0.8220185442E-05   -0.9770873316E-05     12.24392245        0.7980196307E-06
J1,K1,R1,R2,RAT= 111 111    0.3371606917         1.662852914        0.6628393083    
FOB,PFOB,DIAG,PSTEP=   -0.1107718125E-05   -0.1671165663E-05     10.08810170        0.1656559721E-06
J1,K1,R1,R2,RAT= 112 112    0.4378133021         695.0449671        0.5621866979    
FOB,PFOB,DIAG,PSTEP=    0.3164045984E-01    0.3168034602E-01     9.110317874       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8594445472         1774.976186        0.1405554528    
FOB,PFOB,DIAG,PSTEP=    0.9846287452E-01    0.9836756910E-01     5.752797685       -0.1927616519E-04
J1,K1,R1,R2,RAT= 114 114    0.2412738557        -57820.82659        0.7587261443    
FOB,PFOB,DIAG,PSTEP=    0.9136311419        0.9136235172         3.160201551        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03164      0.09846      0.91363 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3817684213
 Log product of positive Hessian eigenvalues =          519.0740398255
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1602015514
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000000
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000047
 Unscaled step for mode   50=       -0.0000000059
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000032
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=        0.0000000020
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000000010
 Unscaled step for mode   61=        0.0000000055
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=       -0.0000000147
 Unscaled step for mode   64=        0.0000000002
 Unscaled step for mode   65=       -0.0000000092
 Unscaled step for mode   66=        0.0000000048
 Unscaled step for mode   67=       -0.0000000151
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=       -0.0000000116
 Unscaled step for mode   71=       -0.0000000061
 Unscaled step for mode   72=        0.0000000110
 Unscaled step for mode   73=       -0.0000000011
 Unscaled step for mode   74=       -0.0000000010
 Unscaled step for mode   75=        0.0000000030
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=        0.0000000087
 Unscaled step for mode   79=        0.0000000080
 Unscaled step for mode   80=        0.0000000057
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000146
 Unscaled step for mode   83=       -0.0000000039
 Unscaled step for mode   84=       -0.0000000024
 Unscaled step for mode   85=        0.0000000259
 Unscaled step for mode   86=        0.0000000070
 Unscaled step for mode   87=       -0.0000000106
 Unscaled step for mode   88=        0.0000000194
 Unscaled step for mode   89=       -0.0000000327
 Unscaled step for mode   90=       -0.0000000366
 Unscaled step for mode   91=       -0.0000000444
 Unscaled step for mode   92=       -0.0000000613
 Unscaled step for mode   93=       -0.0000000615
 Unscaled step for mode   94=        0.0000000140
 Unscaled step for mode   95=       -0.0000000355
 Unscaled step for mode   96=        0.0000000230
 Unscaled step for mode   97=        0.0000000647
 Unscaled step for mode   98=        0.0000000097
 Unscaled step for mode   99=       -0.0000000426
 Unscaled step for mode  100=       -0.0000000391
 Unscaled step for mode  101=        0.0000003149
 Unscaled step for mode  102=       -0.0000000042
 Unscaled step for mode  103=        0.0000000871
 Unscaled step for mode  104=        0.0000000653
 Unscaled step for mode  105=        0.0000002462
 Unscaled step for mode  106=       -0.0000002368
 Unscaled step for mode  107=        0.0000009755
 Unscaled step for mode  108=        0.0000013368
 Unscaled step for mode  109=       -0.0000003886
 Unscaled step for mode  110=        0.0000006714
 Unscaled step for mode  111=        0.0000001098
 Unscaled step for mode  112=       -0.0034729939
 Unscaled step for mode  113=       -0.0171106395
 Unscaled step for mode  114=        0.2682949125
 Largest modulus ratio of non-zero e/values=           236.3118157    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.133704E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.221752E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.892624E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.666166E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.279697E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.424185E-14    0.974309E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177967E-06    0.746793E+03  0.238309E-09 0.100000E-04    0.989076E+00
   8   -0.394771E-06    0.674017E+03  0.585699E-09 0.100000E-04    0.951240E+00
   9   -0.697164E-06    0.630777E+03  0.110525E-08 0.100000E-04    0.946980E+00
  10   -0.105657E-07    0.600655E+03  0.175903E-10 0.100000E-04    0.287201E+00
  11    0.844427E-08    0.586351E+03 -0.144014E-10 0.100000E-04    0.705913E+00
  12   -0.994954E-06    0.578896E+03  0.171871E-08 0.100000E-04    0.943842E+00
  13    0.525270E-07    0.564787E+03 -0.930032E-10 0.100000E-04    0.925863E+00
  14    0.414402E-06    0.487443E+03 -0.850155E-09 0.100000E-04    0.933992E+00
  15   -0.415953E-06    0.460569E+03  0.903129E-09 0.100000E-04    0.939573E+00
  16   -0.103411E-06    0.459756E+03  0.224925E-09 0.100000E-04    0.798914E+00
  17   -0.546349E-06    0.441647E+03  0.123707E-08 0.100000E-04    0.907557E+00
  18   -0.393442E-06    0.429422E+03  0.916212E-09 0.100000E-04    0.932839E+00
  19   -0.178684E-06    0.421886E+03  0.423536E-09 0.100000E-04    0.735964E+00
  20   -0.354576E-06    0.407895E+03  0.869283E-09 0.100000E-04    0.923227E+00
  21   -0.401914E-06    0.396320E+03  0.101412E-08 0.100000E-04    0.919821E+00
  22   -0.638168E-06    0.387425E+03  0.164721E-08 0.100000E-04    0.990748E+00
  23    0.764344E-06    0.370044E+03 -0.206555E-08 0.100000E-04    0.924016E+00
  24   -0.428224E-06    0.360573E+03  0.118762E-08 0.100000E-04    0.978476E+00
  25   -0.109802E-06    0.349323E+03  0.314327E-09 0.100000E-04    0.476097E+00
  26   -0.110984E-06    0.335317E+03  0.330982E-09 0.109000E-04    0.368611E-01
  27    0.332135E-06    0.329331E+03 -0.100851E-08 0.100000E-04    0.885108E+00
  28   -0.354126E-06    0.321823E+03  0.110037E-08 0.100000E-04    0.892828E+00
  29   -0.835403E-08    0.319146E+03  0.261762E-10 0.109000E-04    0.105021E+00
  30   -0.132526E-05    0.309358E+03  0.428390E-08 0.100000E-04    0.959565E+00
  31   -0.101038E-05    0.300799E+03  0.335897E-08 0.100000E-04    0.955593E+00
  32   -0.121774E-05    0.290603E+03  0.419039E-08 0.100000E-04    0.968586E+00
  33    0.193863E-07    0.279039E+03 -0.694750E-10 0.100000E-04    0.664042E+00
  34   -0.940634E-07    0.272750E+03  0.344871E-09 0.109000E-04    0.168574E+00
  35    0.100959E-05    0.268545E+03 -0.375948E-08 0.100000E-04    0.968634E+00
  36    0.124635E-05    0.264964E+03 -0.470386E-08 0.100000E-04    0.983041E+00
  37   -0.456446E-06    0.263855E+03  0.172992E-08 0.100000E-04    0.895486E+00
  38   -0.145446E-06    0.253198E+03  0.574438E-09 0.100000E-04    0.977813E+00
  39   -0.430284E-06    0.241583E+03  0.178111E-08 0.100000E-04    0.893709E+00
  40   -0.125428E-05    0.240787E+03  0.520911E-08 0.100000E-04    0.985780E+00
  41   -0.101506E-05    0.234036E+03  0.433721E-08 0.100000E-04    0.991695E+00
  42   -0.165677E-05    0.227529E+03  0.728156E-08 0.100000E-04    0.963080E+00
  43   -0.922567E-08    0.217155E+03  0.424842E-10 0.100000E-04    0.765987E+00
  44   -0.193281E-05    0.214896E+03  0.899415E-08 0.100000E-04    0.968137E+00
  45    0.719343E-06    0.213252E+03 -0.337321E-08 0.100000E-04    0.984249E+00
  46    0.107815E-05    0.207691E+03 -0.519114E-08 0.100000E-04    0.984110E+00
  47   -0.738834E-06    0.202986E+03  0.363982E-08 0.100000E-04    0.966427E+00
  48   -0.112827E-05    0.195408E+03  0.577393E-08 0.100000E-04    0.925328E+00
  49    0.924684E-06    0.194853E+03 -0.474555E-08 0.100000E-04    0.949138E+00
  50    0.113583E-05    0.191376E+03 -0.593506E-08 0.100000E-04    0.874993E+00
  51    0.193439E-06    0.182981E+03 -0.105715E-08 0.100000E-04    0.856547E+00
  52   -0.561327E-06    0.174380E+03  0.321900E-08 0.100000E-04    0.926408E+00
  53    0.141859E-06    0.172344E+03 -0.823116E-09 0.100000E-04    0.800366E+00
  54   -0.232831E-06    0.168224E+03  0.138405E-08 0.100000E-04    0.938936E+00
  55   -0.836458E-06    0.163212E+03  0.512498E-08 0.100000E-04    0.995540E+00
  56    0.133600E-05    0.156867E+03 -0.851674E-08 0.100000E-04    0.972504E+00
  57   -0.313025E-06    0.154927E+03  0.202046E-08 0.100000E-04    0.828976E+00
  58    0.914708E-06    0.152250E+03 -0.600794E-08 0.100000E-04    0.999986E+00
  59   -0.636373E-06    0.146647E+03  0.433948E-08 0.100000E-04    0.997749E+00
  60   -0.148044E-06    0.143335E+03  0.103285E-08 0.100000E-04    0.719901E+00
  61   -0.765442E-06    0.138109E+03  0.554232E-08 0.100000E-04    0.809453E+00
  62    0.923623E-06    0.135873E+03 -0.679769E-08 0.100000E-04    0.969119E+00
  63    0.191294E-05    0.130284E+03 -0.146829E-07 0.100000E-04    0.914498E+00
  64   -0.200726E-07    0.128846E+03  0.155787E-09 0.109000E-04    0.157484E+00
  65    0.116962E-05    0.126905E+03 -0.921651E-08 0.100000E-04    0.881825E+00
  66   -0.592051E-06    0.124040E+03  0.477306E-08 0.100000E-04    0.883089E+00
  67    0.180678E-05    0.120017E+03 -0.150544E-07 0.100000E-04    0.959781E+00
  68    0.422239E-06    0.118172E+03 -0.357310E-08 0.100000E-04    0.929433E+00
  69    0.292725E-08    0.116825E+03 -0.250567E-10 0.109000E-04    0.546239E-01
  70    0.128222E-05    0.110370E+03 -0.116174E-07 0.100000E-04    0.943503E+00
  71    0.652524E-06    0.106821E+03 -0.610856E-08 0.100000E-04    0.914042E+00
  72   -0.114727E-05    0.104460E+03  0.109828E-07 0.100000E-04    0.857964E+00
  73    0.112976E-06    0.102858E+03 -0.109837E-08 0.100000E-04    0.724320E+00
  74    0.957133E-07    0.995103E+02 -0.961843E-09 0.109000E-04    0.193586E+00
  75   -0.286682E-06    0.960843E+02  0.298365E-08 0.109000E-04    0.107124E+00
  76    0.164905E-06    0.940966E+02 -0.175251E-08 0.100000E-04    0.849460E+00
  77   -0.158579E-05    0.919563E+02  0.172450E-07 0.100000E-04    0.959826E+00
  78   -0.794053E-06    0.912379E+02  0.870311E-08 0.100000E-04    0.966594E+00
  79   -0.711381E-06    0.884036E+02  0.804697E-08 0.100000E-04    0.981726E+00
  80   -0.491963E-06    0.856182E+02  0.574601E-08 0.100000E-04    0.913186E+00
  81    0.127406E-05    0.808371E+02 -0.157608E-07 0.100000E-04    0.991591E+00
  82   -0.117186E-05    0.805224E+02  0.145532E-07 0.100000E-04    0.930350E+00
  83    0.307006E-06    0.779501E+02 -0.393850E-08 0.100000E-04    0.774378E+00
  84    0.177590E-06    0.732787E+02 -0.242349E-08 0.100000E-04    0.456181E+00
  85   -0.187806E-05    0.725388E+02  0.258904E-07 0.100000E-04    0.886329E+00
  86   -0.473862E-06    0.679085E+02  0.697795E-08 0.100000E-04    0.832060E+00
  87    0.684032E-06    0.647398E+02 -0.105659E-07 0.100000E-04    0.769253E+00
  88   -0.119005E-05    0.613354E+02  0.194024E-07 0.100000E-04    0.965028E+00
  89    0.195634E-05    0.598293E+02 -0.326986E-07 0.100000E-04    0.944133E+00
  90    0.217694E-05    0.594035E+02 -0.366466E-07 0.100000E-04    0.974826E+00
  91    0.258296E-05    0.581350E+02 -0.444304E-07 0.100000E-04    0.913516E+00
  92    0.342435E-05    0.558675E+02 -0.612941E-07 0.100000E-04    0.945550E+00
  93    0.322266E-05    0.524427E+02 -0.614512E-07 0.100000E-04    0.980729E+00
  94   -0.728948E-06    0.520182E+02  0.140133E-07 0.100000E-04    0.836161E+00
  95    0.178559E-05    0.502592E+02 -0.355277E-07 0.100000E-04    0.880536E+00
  96   -0.106294E-05    0.461451E+02  0.230347E-07 0.100000E-04    0.912262E+00
  97   -0.280667E-05    0.433582E+02  0.647320E-07 0.100000E-04    0.878499E+00
  98   -0.395842E-06    0.409198E+02  0.967360E-08 0.100000E-04    0.612328E+00
  99    0.161341E-05    0.378666E+02 -0.426078E-07 0.100000E-04    0.791826E+00
 100    0.141667E-05    0.361974E+02 -0.391375E-07 0.100000E-04    0.884589E+00
 101   -0.101577E-04    0.322568E+02  0.314903E-06 0.100000E-04    0.936118E+00
 102    0.121708E-06    0.289120E+02 -0.420959E-08 0.100000E-04    0.819426E+00
 103   -0.247704E-05    0.284545E+02  0.870526E-07 0.100000E-04    0.959722E+00
 104   -0.171664E-05    0.263077E+02  0.652526E-07 0.100000E-04    0.758223E+00
 105   -0.574411E-05    0.233299E+02  0.246213E-06 0.100000E-04    0.924168E+00
 106    0.505199E-05    0.213344E+02 -0.236800E-06 0.100000E-04    0.961933E+00
 107   -0.193652E-04    0.198509E+02  0.975533E-06 0.100000E-04    0.916015E+00
 108   -0.219946E-04    0.164526E+02  0.133684E-05 0.100000E-04    0.927297E+00
 109    0.540505E-05    0.139105E+02 -0.388558E-06 0.100000E-04    0.955617E+00
 110   -0.822019E-05    0.122439E+02  0.671369E-06 0.100000E-04    0.841292E+00
 111   -0.110772E-05    0.100881E+02  0.109804E-06 0.100000E-04    0.662839E+00
 112    0.316405E-01    0.911032E+01 -0.100000E-04 0.100000E-04    0.562187E+00
 113    0.984629E-01    0.575280E+01 -0.210110E-04 0.210110E-04    0.140555E+00
 114    0.913631E+00    0.316020E+01  0.100000E-04 0.100000E-04    0.758726E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2101102006E-04    0.2682949125    

 Beginning of optimization cycle  637.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992435398
 potential> RMS force:                                               0.0861173262   |gradient|=.9194814308    
 Eigenvalues of the Hessian matrix:
   746.79678    674.01555    630.78012    600.65252    586.35092    578.89594 
   564.78300    487.44261    460.56754    459.75520    441.64648    429.42343 
   421.88535    407.89318    396.31902    387.42309    370.04484    360.57332 
   349.32209    335.31791    329.33146    321.82262    319.14674    309.35720 
   300.79891    290.60295    279.04085    272.75004    268.54542    264.96400 
   263.85516    253.19726    241.58289    240.78706    234.03684    227.52950 
   217.15609    214.89647    213.25159    207.69149    202.98572    195.40768 
   194.85302    191.37691    182.98222    174.38036    172.34444    168.22434 
   163.21158    156.86715    154.92771    152.24965    146.64659    143.33504 
   138.10922    135.87316    130.28332    128.84647    126.90477    124.03901 
   120.01705    118.17172    116.82446    110.37052    106.82106    104.46057 
   102.85770     99.51027     96.08411     94.09634     91.95587     91.23808 
    88.40311     85.61845     80.83720     80.52303     77.94984     73.27848 
    72.53824     67.90819     64.73932     61.33499     59.82906     59.40358 
    58.13491     55.86730     52.44255     52.01785     50.25980     46.14467 
    43.35881     40.91992     37.86652     36.19703     32.25637     28.91236 
    28.45457     26.30796     23.32977     21.33464     19.85082     16.45251 
    13.91058     12.24394     10.08804      9.11183      5.75297      3.15990 
overlap for current and previous eigenvector    109 is         0.9999999888
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999654
overlap for current and previous eigenvector    112 is         0.9999999318
overlap for current and previous eigenvector    113 is         0.9999999355
overlap for current and previous eigenvector    114 is         0.9999999678
J1,K1,R1,R2,RAT=   7   7    0.3935392365E-02     1.996054396        0.9960543956    
FOB,PFOB,DIAG,PSTEP=   -0.1772668451E-06   -0.1779672195E-06     746.7967797        0.2383086444E-09
J1,K1,R1,R2,RAT=   8   8   -0.4204953877E-01     2.042053484        0.9579504612    
FOB,PFOB,DIAG,PSTEP=   -0.4113708503E-06   -0.3947709468E-06     674.0155547        0.5856988987E-09
J1,K1,R1,R2,RAT=   9   9   -0.4526833156E-01     2.045259043        0.9547316684    
FOB,PFOB,DIAG,PSTEP=   -0.7287238130E-06   -0.6971642060E-06     630.7801204        0.1105246379E-08
J1,K1,R1,R2,RAT=  10  10    -2.107008908         4.107016423         1.107008908    
FOB,PFOB,DIAG,PSTEP=   -0.3282761179E-07   -0.1056569080E-07     600.6525177        0.1759028854E-10
J1,K1,R1,R2,RAT=  11  11   -0.2282391312         2.228240941        0.7717608688    
FOB,PFOB,DIAG,PSTEP=    0.1037158193E-07    0.8444270676E-08     586.3509206       -0.1440138105E-10
J1,K1,R1,R2,RAT= 109 109   -0.4034308807E-01     2.040334467        0.9596569119    
FOB,PFOB,DIAG,PSTEP=    0.5623102751E-05    0.5405045581E-05     13.91057984       -0.3885581292E-06
J1,K1,R1,R2,RAT= 110 110   -0.1558722372         2.155868700        0.8441277628    
FOB,PFOB,DIAG,PSTEP=   -0.9501486403E-05   -0.8220185442E-05     12.24394410        0.6713686301E-06
J1,K1,R1,R2,RAT= 111 111   -0.5177199582         2.517733047        0.4822800418    
FOB,PFOB,DIAG,PSTEP=   -0.1681202154E-05   -0.1107718125E-05     10.08803568        0.1098044169E-06
J1,K1,R1,R2,RAT= 112 112    0.4093807661         694.0823983        0.5906192339    
FOB,PFOB,DIAG,PSTEP=    0.3160315776E-01    0.3164045984E-01     9.111831355       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8045119567         1629.962104        0.1954880433    
FOB,PFOB,DIAG,PSTEP=    0.9856012056E-01    0.9846287452E-01     5.752972156       -0.2101102006E-04
J1,K1,R1,R2,RAT= 114 114    0.1970857944        -57826.82428        0.8029142056    
FOB,PFOB,DIAG,PSTEP=    0.9136373696        0.9136311419         3.159897737        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03160      0.09856      0.91364 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3817472836
 Log product of positive Hessian eigenvalues =          519.0741122410
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1598977367
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000066
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000158
 Unscaled step for mode   64=        0.0000000008
 Unscaled step for mode   65=       -0.0000000102
 Unscaled step for mode   66=        0.0000000053
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=       -0.0000000066
 Unscaled step for mode   72=        0.0000000099
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=        0.0000000018
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000167
 Unscaled step for mode   78=        0.0000000089
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000062
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000154
 Unscaled step for mode   83=       -0.0000000033
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=        0.0000000287
 Unscaled step for mode   86=        0.0000000081
 Unscaled step for mode   87=       -0.0000000131
 Unscaled step for mode   88=        0.0000000187
 Unscaled step for mode   89=       -0.0000000343
 Unscaled step for mode   90=       -0.0000000374
 Unscaled step for mode   91=       -0.0000000475
 Unscaled step for mode   92=       -0.0000000640
 Unscaled step for mode   93=       -0.0000000622
 Unscaled step for mode   94=        0.0000000123
 Unscaled step for mode   95=       -0.0000000397
 Unscaled step for mode   96=        0.0000000246
 Unscaled step for mode   97=        0.0000000720
 Unscaled step for mode   98=        0.0000000150
 Unscaled step for mode   99=       -0.0000000520
 Unscaled step for mode  100=       -0.0000000433
 Unscaled step for mode  101=        0.0000003313
 Unscaled step for mode  102=        0.0000000032
 Unscaled step for mode  103=        0.0000000901
 Unscaled step for mode  104=        0.0000000557
 Unscaled step for mode  105=        0.0000002622
 Unscaled step for mode  106=       -0.0000002439
 Unscaled step for mode  107=        0.0000010463
 Unscaled step for mode  108=        0.0000014196
 Unscaled step for mode  109=       -0.0000004042
 Unscaled step for mode  110=        0.0000007760
 Unscaled step for mode  111=        0.0000001667
 Unscaled step for mode  112=       -0.0034683234
 Unscaled step for mode  113=       -0.0171270096
 Unscaled step for mode  114=        0.2683188269
 Largest modulus ratio of non-zero e/values=           236.3357431    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.927860E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.256853E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.420471E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.413840E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.766102E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.331035E-14    0.974309E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177267E-06    0.746797E+03  0.237370E-09 0.100000E-04    0.996054E+00
   8   -0.411371E-06    0.674016E+03  0.610328E-09 0.100000E-04    0.957950E+00
   9   -0.728724E-06    0.630780E+03  0.115527E-08 0.100000E-04    0.954732E+00
  10   -0.328276E-07    0.600653E+03  0.546532E-10 0.100000E-04    0.110701E+01
  11    0.103716E-07    0.586351E+03 -0.176884E-10 0.100000E-04    0.771761E+00
  12   -0.104378E-05    0.578896E+03  0.180305E-08 0.100000E-04    0.950926E+00
  13    0.492937E-07    0.564783E+03 -0.872790E-10 0.100000E-04    0.938444E+00
  14    0.439323E-06    0.487443E+03 -0.901282E-09 0.100000E-04    0.939863E+00
  15   -0.437643E-06    0.460568E+03  0.950225E-09 0.100000E-04    0.947855E+00
  16   -0.124846E-06    0.459755E+03  0.271550E-09 0.100000E-04    0.792714E+00
  17   -0.592906E-06    0.441646E+03  0.134249E-08 0.100000E-04    0.914785E+00
  18   -0.416168E-06    0.429423E+03  0.969132E-09 0.100000E-04    0.942238E+00
  19   -0.147377E-06    0.421885E+03  0.349329E-09 0.100000E-04    0.824790E+00
  20   -0.378661E-06    0.407893E+03  0.928334E-09 0.100000E-04    0.932073E+00
  21   -0.430766E-06    0.396319E+03  0.108692E-08 0.100000E-04    0.928213E+00
  22   -0.641572E-06    0.387423E+03  0.165600E-08 0.100000E-04    0.994665E+00
  23    0.816340E-06    0.370045E+03 -0.220606E-08 0.100000E-04    0.931973E+00
  24   -0.435551E-06    0.360573E+03  0.120794E-08 0.100000E-04    0.982888E+00
  25   -0.776589E-07    0.349322E+03  0.222313E-09 0.100000E-04    0.707265E+00
  26   -0.655882E-07    0.335318E+03  0.195600E-09 0.100000E-04    0.590967E+00
  27    0.366595E-06    0.329331E+03 -0.111315E-08 0.100000E-04    0.896246E+00
  28   -0.387865E-06    0.321823E+03  0.120521E-08 0.100000E-04    0.904725E+00
  29   -0.636532E-07    0.319147E+03  0.199448E-09 0.100000E-04    0.561945E+01
  30   -0.136569E-05    0.309357E+03  0.441462E-08 0.100000E-04    0.969490E+00
  31   -0.104806E-05    0.300799E+03  0.348426E-08 0.100000E-04    0.962701E+00
  32   -0.124777E-05    0.290603E+03  0.429372E-08 0.100000E-04    0.975342E+00
  33   -0.201977E-07    0.279041E+03  0.723828E-10 0.100000E-04    0.958142E+00
  34   -0.535839E-07    0.272750E+03  0.196458E-09 0.100000E-04    0.569655E+00
  35    0.103350E-05    0.268545E+03 -0.384850E-08 0.100000E-04    0.976319E+00
  36    0.126238E-05    0.264964E+03 -0.476434E-08 0.100000E-04    0.987141E+00
  37   -0.500868E-06    0.263855E+03  0.189827E-08 0.100000E-04    0.902681E+00
  38   -0.142491E-06    0.253197E+03  0.562768E-09 0.100000E-04    0.979682E+00
  39   -0.398357E-06    0.241583E+03  0.164895E-08 0.100000E-04    0.925797E+00
  40   -0.126724E-05    0.240787E+03  0.526290E-08 0.100000E-04    0.989673E+00
  41   -0.100847E-05    0.234037E+03  0.430902E-08 0.100000E-04    0.993498E+00
  42   -0.170338E-05    0.227529E+03  0.748643E-08 0.100000E-04    0.971864E+00
  43   -0.101759E-07    0.217156E+03  0.468599E-10 0.100000E-04    0.897001E+00
  44   -0.198300E-05    0.214896E+03  0.922772E-08 0.100000E-04    0.974031E+00
  45    0.707984E-06    0.213252E+03 -0.331995E-08 0.100000E-04    0.984209E+00
  46    0.109359E-05    0.207691E+03 -0.526545E-08 0.100000E-04    0.985683E+00
  47   -0.760202E-06    0.202986E+03  0.374510E-08 0.100000E-04    0.971078E+00
  48   -0.119943E-05    0.195408E+03  0.613808E-08 0.100000E-04    0.936935E+00
  49    0.966264E-06    0.194853E+03 -0.495894E-08 0.100000E-04    0.955033E+00
  50    0.126759E-05    0.191377E+03 -0.662354E-08 0.100000E-04    0.883995E+00
  51    0.219486E-06    0.182982E+03 -0.119949E-08 0.100000E-04    0.865347E+00
  52   -0.596312E-06    0.174380E+03  0.341960E-08 0.100000E-04    0.937676E+00
  53    0.123045E-06    0.172344E+03 -0.713946E-09 0.100000E-04    0.867368E+00
  54   -0.220979E-06    0.168224E+03  0.131359E-08 0.100000E-04    0.949091E+00
  55   -0.829125E-06    0.163212E+03  0.508006E-08 0.100000E-04    0.991234E+00
  56    0.136652E-05    0.156867E+03 -0.871130E-08 0.100000E-04    0.977156E+00
  57   -0.368263E-06    0.154928E+03  0.237700E-08 0.100000E-04    0.823535E+00
  58    0.911617E-06    0.152250E+03 -0.598765E-08 0.100000E-04    0.996621E+00
  59   -0.635433E-06    0.146647E+03  0.433309E-08 0.100000E-04    0.998523E+00
  60   -0.197295E-06    0.143335E+03  0.137646E-08 0.100000E-04    0.667321E+00
  61   -0.914417E-06    0.138109E+03  0.662097E-08 0.100000E-04    0.805375E+00
  62    0.945564E-06    0.135873E+03 -0.695917E-08 0.100000E-04    0.976245E+00
  63    0.205691E-05    0.130283E+03 -0.157879E-07 0.100000E-04    0.924739E+00
  64   -0.107036E-06    0.128846E+03  0.830725E-09 0.100000E-04    0.333243E+01
  65    0.130041E-05    0.126905E+03 -0.102471E-07 0.100000E-04    0.888179E+00
  66   -0.658740E-06    0.124039E+03  0.531075E-08 0.100000E-04    0.887359E+00
  67    0.186675E-05    0.120017E+03 -0.155540E-07 0.100000E-04    0.966806E+00
  68    0.448447E-06    0.118172E+03 -0.379487E-08 0.100000E-04    0.937931E+00
  69   -0.474159E-07    0.116824E+03  0.405873E-09 0.100000E-04    0.141982E+02
  70    0.134422E-05    0.110371E+03 -0.121791E-07 0.100000E-04    0.951646E+00
  71    0.703237E-06    0.106821E+03 -0.658331E-08 0.100000E-04    0.922282E+00
  72   -0.102962E-05    0.104461E+03  0.985651E-08 0.100000E-04    0.897445E+00
  73    0.147976E-06    0.102858E+03 -0.143864E-08 0.100000E-04    0.690203E+00
  74    0.582397E-07    0.995103E+02 -0.585263E-09 0.100000E-04    0.608480E+00
  75   -0.172066E-06    0.960841E+02  0.179078E-08 0.100000E-04    0.600196E+00
  76    0.187539E-06    0.940963E+02 -0.199305E-08 0.100000E-04    0.862744E+00
  77    0.153229E-05    0.919559E+02 -0.166633E-07 0.100000E-04    0.966261E+00
  78   -0.812997E-06    0.912381E+02  0.891071E-08 0.100000E-04    0.976144E+00
  79   -0.719484E-06    0.884031E+02  0.813868E-08 0.100000E-04    0.988609E+00
  80   -0.531851E-06    0.856185E+02  0.621187E-08 0.100000E-04    0.918921E+00
  81    0.127970E-05    0.808372E+02 -0.158305E-07 0.100000E-04    0.995573E+00
  82   -0.124299E-05    0.805230E+02  0.154365E-07 0.100000E-04    0.939301E+00
  83    0.259433E-06    0.779498E+02 -0.332820E-08 0.100000E-04    0.845040E+00
  84    0.352109E-06    0.732785E+02 -0.480509E-08 0.109000E-04    0.172902E-01
  85   -0.208162E-05    0.725382E+02  0.286968E-07 0.100000E-04    0.891612E+00
  86   -0.551021E-06    0.679082E+02  0.811421E-08 0.100000E-04    0.837169E+00
  87    0.848806E-06    0.647393E+02 -0.131111E-07 0.100000E-04    0.759113E+00
  88   -0.114991E-05    0.613350E+02  0.187480E-07 0.100000E-04    0.966269E+00
  89    0.205307E-05    0.598291E+02 -0.343155E-07 0.100000E-04    0.950555E+00
  90    0.221875E-05    0.594036E+02 -0.373504E-07 0.100000E-04    0.980793E+00
  91    0.276348E-05    0.581349E+02 -0.475357E-07 0.100000E-04    0.930110E+00
  92    0.357651E-05    0.558673E+02 -0.640179E-07 0.100000E-04    0.955566E+00
  93    0.326322E-05    0.524425E+02 -0.622247E-07 0.100000E-04    0.987415E+00
  94   -0.637285E-06    0.520179E+02  0.122513E-07 0.100000E-04    0.874252E+00
  95    0.199335E-05    0.502598E+02 -0.396610E-07 0.100000E-04    0.883647E+00
  96   -0.113477E-05    0.461447E+02  0.245916E-07 0.100000E-04    0.932423E+00
  97   -0.312306E-05    0.433588E+02  0.720282E-07 0.100000E-04    0.887273E+00
  98   -0.612162E-06    0.409199E+02  0.149600E-07 0.100000E-04    0.453520E+00
  99    0.196749E-05    0.378665E+02 -0.519587E-07 0.100000E-04    0.780538E+00
 100    0.156813E-05    0.361970E+02 -0.433221E-07 0.100000E-04    0.893088E+00
 101   -0.106858E-04    0.322564E+02  0.331277E-06 0.100000E-04    0.948015E+00
 102   -0.939327E-07    0.289124E+02  0.324888E-08 0.100000E-04    0.771769E+00
 103   -0.256417E-05    0.284546E+02  0.901144E-07 0.100000E-04    0.964826E+00
 104   -0.146406E-05    0.263080E+02  0.556509E-07 0.100000E-04    0.852843E+00
 105   -0.611651E-05    0.233298E+02  0.262176E-06 0.100000E-04    0.935169E+00
 106    0.520444E-05    0.213346E+02 -0.243943E-06 0.100000E-04    0.969824E+00
 107   -0.207698E-04    0.198508E+02  0.104629E-05 0.100000E-04    0.927470E+00
 108   -0.233568E-04    0.164525E+02  0.141965E-05 0.100000E-04    0.938065E+00
 109    0.562310E-05    0.139106E+02 -0.404232E-06 0.100000E-04    0.959657E+00
 110   -0.950149E-05    0.122439E+02  0.776015E-06 0.100000E-04    0.844128E+00
 111   -0.168120E-05    0.100880E+02  0.166653E-06 0.100000E-04    0.482280E+00
 112    0.316032E-01    0.911183E+01 -0.100000E-04 0.100000E-04    0.590619E+00
 113    0.985601E-01    0.575297E+01 -0.229020E-04 0.229020E-04    0.195488E+00
 114    0.913637E+00    0.315990E+01  0.100000E-04 0.100000E-04    0.802914E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2290201187E-04    0.2683188269    

 Beginning of optimization cycle  638.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992369746
 potential> RMS force:                                               0.0861186510   |gradient|=.9194955758    
 Eigenvalues of the Hessian matrix:
   746.80074    674.01407    630.78318    600.65025    586.35033    578.89613 
   564.77875    487.44216    460.56620    459.75464    441.64586    429.42485 
   421.88471    407.89147    396.31842    387.42164    370.04531    360.57352 
   349.32141    335.31860    329.33237    321.82232    319.14752    309.35602 
   300.79837    290.60302    279.04242    272.75053    268.54573    264.96434 
   263.85583    253.19669    241.58328    240.78745    234.03769    227.52988 
   217.15690    214.89661    213.25129    207.69201    202.98529    195.40685 
   194.85344    191.37739    182.98302    174.38114    172.34469    168.22465 
   163.21123    156.86693    154.92825    152.24946    146.64596    143.33460 
   138.10977    135.87316    130.28304    128.84670    126.90496    124.03782 
   120.01724    118.17185    116.82400    110.37078    106.82088    104.46078 
   102.85777     99.51019     96.08388     94.09609     91.95547     91.23832 
    88.40258     85.61878     80.83729     80.52375     77.94961     73.27824 
    72.53761     67.90784     64.73885     61.33454     59.82879     59.40367 
    58.13485     55.86704     52.44243     52.01744     50.26041     46.14422 
    43.35940     40.92003     37.86646     36.19662     32.25599     28.91270 
    28.45464     26.30826     23.32968     21.33487     19.85074     16.45240 
    13.91064     12.24396     10.08797      9.11343      5.75317      3.15958 
overlap for current and previous eigenvector    109 is         0.9999999874
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999597
overlap for current and previous eigenvector    112 is         0.9999999228
overlap for current and previous eigenvector    113 is         0.9999999276
overlap for current and previous eigenvector    114 is         0.9999999630
J1,K1,R1,R2,RAT=   7   7    0.3605734073E-01     1.963932051        0.9639320514    
FOB,PFOB,DIAG,PSTEP=   -0.1708750401E-06   -0.1772668451E-06     746.8007407        0.2373695896E-09
J1,K1,R1,R2,RAT=   8   8   -0.4394657080E-01     2.043950965        0.9560534292    
FOB,PFOB,DIAG,PSTEP=   -0.4294491488E-06   -0.4113708503E-06     674.0140740        0.6103284226E-09
J1,K1,R1,R2,RAT=   9   9   -0.5002850363E-01     2.050018807        0.9499714964    
FOB,PFOB,DIAG,PSTEP=   -0.7651809517E-06   -0.7287238130E-06     630.7831788        0.1155273905E-08
J1,K1,R1,R2,RAT=  10  10   -0.6726247294         2.672632281        0.3273752706    
FOB,PFOB,DIAG,PSTEP=   -0.5490819191E-07   -0.3282761179E-07     600.6502498        0.5465324929E-10
J1,K1,R1,R2,RAT=  11  11   -0.5446415457         2.544643569        0.4553584543    
FOB,PFOB,DIAG,PSTEP=    0.1602037064E-07    0.1037158193E-07     586.3503276       -0.1768835278E-10
J1,K1,R1,R2,RAT= 109 109   -0.1915592322E-01     2.019147397        0.9808440768    
FOB,PFOB,DIAG,PSTEP=    0.5730818935E-05    0.5623102751E-05     13.91063915       -0.4042320892E-06
J1,K1,R1,R2,RAT= 110 110   -0.1479845101         2.147981575        0.8520154899    
FOB,PFOB,DIAG,PSTEP=   -0.1090756128E-04   -0.9501486403E-05     12.24396207        0.7760151730E-06
J1,K1,R1,R2,RAT= 111 111   -0.1509737518         2.150987062        0.8490262482    
FOB,PFOB,DIAG,PSTEP=   -0.1935017861E-05   -0.1681202154E-05     10.08796855        0.1666530736E-06
J1,K1,R1,R2,RAT= 112 112    0.3788179061         693.1728682        0.6211820939    
FOB,PFOB,DIAG,PSTEP=    0.3156863447E-01    0.3160315776E-01     9.113425397       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7777824310         1496.843725        0.2222175690    
FOB,PFOB,DIAG,PSTEP=    0.9866260044E-01    0.9856012056E-01     5.753165267       -0.2290201187E-04
J1,K1,R1,R2,RAT= 114 114    0.1382490768        -57832.91157        0.8617509232    
FOB,PFOB,DIAG,PSTEP=    0.9136417377        0.9136373696         3.159583458        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00003 
     0.00001     -0.00001     -0.00000      0.03157      0.09866      0.91364 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3817273773
 Log product of positive Hessian eigenvalues =          519.0741875873
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1595834581
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000024
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000045
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000095
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000074
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=        0.0000000078
 Unscaled step for mode   62=       -0.0000000072
 Unscaled step for mode   63=       -0.0000000172
 Unscaled step for mode   64=        0.0000000017
 Unscaled step for mode   65=       -0.0000000113
 Unscaled step for mode   66=        0.0000000059
 Unscaled step for mode   67=       -0.0000000162
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=       -0.0000000128
 Unscaled step for mode   71=       -0.0000000071
 Unscaled step for mode   72=        0.0000000085
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=        0.0000000006
 Unscaled step for mode   76=       -0.0000000023
 Unscaled step for mode   77=        0.0000000161
 Unscaled step for mode   78=       -0.0000000093
 Unscaled step for mode   79=        0.0000000085
 Unscaled step for mode   80=        0.0000000067
 Unscaled step for mode   81=       -0.0000000161
 Unscaled step for mode   82=        0.0000000164
 Unscaled step for mode   83=       -0.0000000026
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=        0.0000000314
 Unscaled step for mode   86=        0.0000000094
 Unscaled step for mode   87=       -0.0000000162
 Unscaled step for mode   88=        0.0000000181
 Unscaled step for mode   89=       -0.0000000357
 Unscaled step for mode   90=       -0.0000000388
 Unscaled step for mode   91=       -0.0000000526
 Unscaled step for mode   92=       -0.0000000683
 Unscaled step for mode   93=       -0.0000000643
 Unscaled step for mode   94=        0.0000000109
 Unscaled step for mode   95=       -0.0000000434
 Unscaled step for mode   96=        0.0000000276
 Unscaled step for mode   97=        0.0000000800
 Unscaled step for mode   98=        0.0000000196
 Unscaled step for mode   99=       -0.0000000615
 Unscaled step for mode  100=       -0.0000000480
 Unscaled step for mode  101=        0.0000003566
 Unscaled step for mode  102=        0.0000000134
 Unscaled step for mode  103=        0.0000000926
 Unscaled step for mode  104=        0.0000000368
 Unscaled step for mode  105=        0.0000002845
 Unscaled step for mode  106=       -0.0000002521
 Unscaled step for mode  107=        0.0000011426
 Unscaled step for mode  108=        0.0000015315
 Unscaled step for mode  109=       -0.0000004120
 Unscaled step for mode  110=        0.0000008909
 Unscaled step for mode  111=        0.0000001918
 Unscaled step for mode  112=       -0.0034639287
 Unscaled step for mode  113=       -0.0171442322
 Unscaled step for mode  114=        0.2683430414
 Largest modulus ratio of non-zero e/values=           236.3605047    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.118243E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.181669E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.410147E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.179670E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.380555E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.379200E-14    0.974310E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170875E-06    0.746801E+03  0.228809E-09 0.100000E-04    0.963932E+00
   8   -0.429449E-06    0.674014E+03  0.637152E-09 0.100000E-04    0.956053E+00
   9   -0.765181E-06    0.630783E+03  0.121306E-08 0.100000E-04    0.949971E+00
  10   -0.549082E-07    0.600650E+03  0.914146E-10 0.100000E-04    0.327375E+00
  11    0.160204E-07    0.586350E+03 -0.273222E-10 0.100000E-04    0.455358E+00
  12   -0.109409E-05    0.578896E+03  0.188995E-08 0.100000E-04    0.951805E+00
  13    0.466663E-07    0.564779E+03 -0.826276E-10 0.100000E-04    0.946699E+00
  14    0.459524E-06    0.487442E+03 -0.942725E-09 0.100000E-04    0.954018E+00
  15   -0.463795E-06    0.460566E+03  0.100701E-08 0.100000E-04    0.940242E+00
  16   -0.150088E-06    0.459755E+03  0.326453E-09 0.100000E-04    0.797814E+00
  17   -0.643420E-06    0.441646E+03  0.145687E-08 0.100000E-04    0.914803E+00
  18   -0.443443E-06    0.429425E+03  0.103264E-08 0.100000E-04    0.934462E+00
  19   -0.116044E-06    0.421885E+03  0.275062E-09 0.100000E-04    0.787398E+00
  20   -0.404226E-06    0.407891E+03  0.991012E-09 0.100000E-04    0.932487E+00
  21   -0.462288E-06    0.396318E+03  0.116645E-08 0.100000E-04    0.926824E+00
  22   -0.650768E-06    0.387422E+03  0.167974E-08 0.100000E-04    0.985667E+00
  23    0.869887E-06    0.370045E+03 -0.235076E-08 0.100000E-04    0.934405E+00
  24   -0.444542E-06    0.360574E+03  0.123288E-08 0.100000E-04    0.979357E+00
  25   -0.477076E-07    0.349321E+03  0.136572E-09 0.100000E-04    0.614322E+00
  26   -0.591123E-08    0.335319E+03  0.176287E-10 0.109000E-04    0.901241E-01
  27    0.411811E-06    0.329332E+03 -0.125044E-08 0.100000E-04    0.876658E+00
  28   -0.434297E-06    0.321822E+03  0.134949E-08 0.100000E-04    0.880289E+00
  29   -0.149074E-06    0.319148E+03  0.467101E-09 0.100000E-04    0.341969E+00
  30   -0.143824E-05    0.309356E+03  0.464913E-08 0.100000E-04    0.946882E+00
  31   -0.109452E-05    0.300798E+03  0.363871E-08 0.100000E-04    0.955675E+00
  32   -0.129348E-05    0.290603E+03  0.445103E-08 0.100000E-04    0.963361E+00
  33   -0.694478E-07    0.279042E+03  0.248879E-09 0.100000E-04    0.143838E+01
  34    0.191087E-08    0.272751E+03 -0.700592E-11 0.109000E-04    0.356594E-01
  35    0.107212E-05    0.268546E+03 -0.399230E-08 0.100000E-04    0.962635E+00
  36    0.128036E-05    0.264964E+03 -0.483220E-08 0.100000E-04    0.985757E+00
  37   -0.548532E-06    0.263856E+03  0.207891E-08 0.100000E-04    0.904836E+00
  38   -0.139513E-06    0.253197E+03  0.551007E-09 0.100000E-04    0.979100E+00
  39   -0.357847E-06    0.241583E+03  0.148126E-08 0.100000E-04    0.898304E+00
  40   -0.127980E-05    0.240787E+03  0.531504E-08 0.100000E-04    0.990090E+00
  41   -0.992595E-06    0.234038E+03  0.424118E-08 0.100000E-04    0.984252E+00
  42   -0.178085E-05    0.227530E+03  0.782688E-08 0.100000E-04    0.954522E+00
  43   -0.162326E-07    0.217157E+03  0.747507E-10 0.100000E-04    0.404801E+00
  44   -0.203890E-05    0.214897E+03  0.948784E-08 0.100000E-04    0.971810E+00
  45    0.709943E-06    0.213251E+03 -0.332914E-08 0.100000E-04    0.997233E+00
  46    0.109840E-05    0.207692E+03 -0.528861E-08 0.100000E-04    0.995600E+00
  47   -0.776852E-06    0.202985E+03  0.382713E-08 0.100000E-04    0.978098E+00
  48   -0.130338E-05    0.195407E+03  0.667011E-08 0.100000E-04    0.913328E+00
  49    0.100695E-05    0.194853E+03 -0.516771E-08 0.100000E-04    0.957896E+00
  50    0.141390E-05    0.191377E+03 -0.738803E-08 0.100000E-04    0.884577E+00
  51    0.251860E-06    0.182983E+03 -0.137641E-08 0.100000E-04    0.852503E+00
  52   -0.648054E-06    0.174381E+03  0.371631E-08 0.100000E-04    0.913230E+00
  53    0.102539E-06    0.172345E+03 -0.594967E-09 0.100000E-04    0.833348E+00
  54   -0.209337E-06    0.168225E+03  0.124439E-08 0.100000E-04    0.947313E+00
  55   -0.836116E-06    0.163211E+03  0.512291E-08 0.100000E-04    0.991568E+00
  56    0.140183E-05    0.156867E+03 -0.893640E-08 0.100000E-04    0.974162E+00
  57   -0.417797E-06    0.154928E+03  0.269671E-08 0.100000E-04    0.865493E+00
  58    0.921557E-06    0.152249E+03 -0.605294E-08 0.100000E-04    0.989096E+00
  59   -0.641241E-06    0.146646E+03  0.437272E-08 0.100000E-04    0.990860E+00
  60   -0.243161E-06    0.143335E+03  0.169645E-08 0.100000E-04    0.767527E+00
  61   -0.107141E-05    0.138110E+03  0.775765E-08 0.100000E-04    0.828318E+00
  62    0.983976E-06    0.135873E+03 -0.724187E-08 0.100000E-04    0.959377E+00
  63    0.224068E-05    0.130283E+03 -0.171985E-07 0.100000E-04    0.910656E+00
  64   -0.222190E-06    0.128847E+03  0.172445E-08 0.109000E-04    0.758413E-01
  65    0.142963E-05    0.126905E+03 -0.112654E-07 0.100000E-04    0.900627E+00
  66   -0.725957E-06    0.124038E+03  0.585271E-08 0.100000E-04    0.897960E+00
  67    0.194203E-05    0.120017E+03 -0.161813E-07 0.100000E-04    0.959672E+00
  68    0.477042E-06    0.118172E+03 -0.403685E-08 0.100000E-04    0.936234E+00
  69   -0.795653E-07    0.116824E+03  0.681070E-09 0.100000E-04    0.321968E+00
  70    0.141381E-05    0.110371E+03 -0.128096E-07 0.100000E-04    0.948231E+00
  71    0.760997E-06    0.106821E+03 -0.712405E-08 0.100000E-04    0.917864E+00
  72   -0.892921E-06    0.104461E+03  0.854791E-08 0.100000E-04    0.867233E+00
  73    0.185176E-06    0.102858E+03 -0.180031E-08 0.100000E-04    0.748604E+00
  74    0.265310E-07    0.995102E+02 -0.266616E-09 0.100000E-04    0.455549E+00
  75   -0.532941E-07    0.960839E+02  0.554662E-09 0.100000E-04    0.309729E+00
  76    0.212042E-06    0.940961E+02 -0.225346E-08 0.100000E-04    0.869347E+00
  77   -0.148376E-05    0.919555E+02  0.161357E-07 0.100000E-04    0.968333E+00
  78    0.846343E-06    0.912383E+02 -0.927618E-08 0.100000E-04    0.958984E+00
  79   -0.750591E-06    0.884026E+02  0.849061E-08 0.100000E-04    0.956764E+00
  80   -0.576708E-06    0.856188E+02  0.673577E-08 0.100000E-04    0.915658E+00
  81    0.130024E-05    0.808373E+02 -0.160847E-07 0.100000E-04    0.983944E+00
  82   -0.132065E-05    0.805237E+02  0.164008E-07 0.100000E-04    0.937520E+00
  83    0.202888E-06    0.779496E+02 -0.260281E-08 0.100000E-04    0.782045E+00
  84    0.543555E-06    0.732782E+02 -0.741769E-08 0.100000E-04    0.456288E+00
  85   -0.227826E-05    0.725376E+02  0.314080E-07 0.100000E-04    0.905533E+00
  86   -0.641255E-06    0.679078E+02  0.944302E-08 0.100000E-04    0.836241E+00
  87    0.105023E-05    0.647388E+02 -0.162226E-07 0.100000E-04    0.762695E+00
  88   -0.110780E-05    0.613345E+02  0.180615E-07 0.100000E-04    0.963375E+00
  89    0.213449E-05    0.598288E+02 -0.356766E-07 0.100000E-04    0.960342E+00
  90    0.230758E-05    0.594037E+02 -0.388457E-07 0.100000E-04    0.959965E+00
  91    0.305692E-05    0.581349E+02 -0.525833E-07 0.100000E-04    0.893816E+00
  92    0.381310E-05    0.558670E+02 -0.682532E-07 0.100000E-04    0.933846E+00
  93    0.337105E-05    0.524424E+02 -0.642809E-07 0.100000E-04    0.966957E+00
  94   -0.567500E-06    0.520174E+02  0.109098E-07 0.100000E-04    0.890496E+00
  95    0.218171E-05    0.502604E+02 -0.434081E-07 0.100000E-04    0.905511E+00
  96   -0.127191E-05    0.461442E+02  0.275639E-07 0.100000E-04    0.879143E+00
  97   -0.347042E-05    0.433594E+02  0.800385E-07 0.100000E-04    0.888777E+00
  98   -0.800592E-06    0.409200E+02  0.195648E-07 0.100000E-04    0.692189E+00
  99    0.232893E-05    0.378665E+02 -0.615037E-07 0.100000E-04    0.816296E+00
 100    0.173743E-05    0.361966E+02 -0.479997E-07 0.100000E-04    0.892038E+00
 101   -0.115019E-04    0.322560E+02  0.356581E-06 0.100000E-04    0.923627E+00
 102   -0.388024E-06    0.289127E+02  0.134205E-07 0.100000E-04    0.213084E+01
 103   -0.263533E-05    0.284546E+02  0.926153E-07 0.100000E-04    0.972245E+00
 104   -0.967055E-06    0.263083E+02  0.367586E-07 0.100000E-04    0.660510E+00
 105   -0.663747E-05    0.233297E+02  0.284507E-06 0.100000E-04    0.914827E+00
 106    0.537936E-05    0.213349E+02 -0.252140E-06 0.100000E-04    0.966391E+00
 107   -0.226821E-04    0.198507E+02  0.114263E-05 0.100000E-04    0.907929E+00
 108   -0.251971E-04    0.164524E+02  0.153152E-05 0.100000E-04    0.921208E+00
 109    0.573082E-05    0.139106E+02 -0.411974E-06 0.100000E-04    0.980844E+00
 110   -0.109076E-04    0.122440E+02  0.890852E-06 0.100000E-04    0.852015E+00
 111   -0.193502E-05    0.100880E+02  0.191814E-06 0.100000E-04    0.849026E+00
 112    0.315686E-01    0.911343E+01 -0.100000E-04 0.100000E-04    0.621182E+00
 113    0.986626E-01    0.575317E+01 -0.206324E-04 0.206324E-04    0.222218E+00
 114    0.913642E+00    0.315958E+01  0.100000E-04 0.100000E-04    0.861751E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2063244312E-04    0.2683430414    

 Beginning of optimization cycle  639.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992301877
 potential> RMS force:                                               0.0861201055   |gradient|=.9195111060    
 Eigenvalues of the Hessian matrix:
   746.80458    674.01283    630.78611    600.64796    586.34981    578.89631 
   564.77478    487.44183    460.56492    459.75410    441.64530    429.42610 
   421.88410    407.88988    396.31787    387.42023    370.04577    360.57367 
   349.32068    335.31924    329.33322    321.82209    319.14815    309.35488 
   300.79777    290.60308    279.04386    272.75098    268.54595    264.96466 
   263.85639    253.19608    241.58357    240.78783    234.03845    227.53019 
   217.15761    214.89675    213.25100    207.69249    202.98488    195.40605 
   194.85380    191.37785    182.98374    174.38186    172.34492    168.22492 
   163.21092    156.86670    154.92876    152.24928    146.64538    143.33422 
   138.11028    135.87315    130.28280    128.84690    126.90516    124.03672 
   120.01742    118.17198    116.82358    110.37101    106.82073    104.46101 
   102.85785     99.51013     96.08368     94.09587     91.95506     91.23853 
    88.40207     85.61907     80.83736     80.52441     77.94938     73.27804 
    72.53705     67.90756     64.73840     61.33408     59.82854     59.40376 
    58.13482     55.86682     52.44233     52.01708     50.26100     46.14381 
    43.35996     40.92014     37.86642     36.19629     32.25562     28.91303 
    28.45470     26.30854     23.32957     21.33511     19.85064     16.45230 
    13.91070     12.24398     10.08790      9.11492      5.75334      3.15928 
overlap for current and previous eigenvector    109 is         0.9999999892
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999663
overlap for current and previous eigenvector    112 is         0.9999999338
overlap for current and previous eigenvector    113 is         0.9999999363
overlap for current and previous eigenvector    114 is         0.9999999678
J1,K1,R1,R2,RAT=   7   7   -0.1037591699E-01     2.010365622        0.9896240830    
FOB,PFOB,DIAG,PSTEP=   -0.1726480345E-06   -0.1708750401E-06     746.8045848        0.2288094144E-09
J1,K1,R1,R2,RAT=   8   8    0.5021653573E-01     1.949787153        0.9497834643    
FOB,PFOB,DIAG,PSTEP=   -0.4078837400E-06   -0.4294491488E-06     674.0128308        0.6371516047E-09
J1,K1,R1,R2,RAT=   9   9    0.5511294861E-01     1.944877753        0.9448777528    
FOB,PFOB,DIAG,PSTEP=   -0.7230093772E-06   -0.7651809517E-06     630.7861115        0.1213064929E-08
J1,K1,R1,R2,RAT=  10  10    0.5126864899         1.487321125        0.4873135101    
FOB,PFOB,DIAG,PSTEP=   -0.2675761092E-07   -0.5490819191E-07     600.6479627        0.9141458266E-10
J1,K1,R1,R2,RAT=  11  11    0.2352289367         1.764772816        0.7647710633    
FOB,PFOB,DIAG,PSTEP=    0.1225191919E-07    0.1602037064E-07     586.3498137       -0.2732218246E-10
J1,K1,R1,R2,RAT= 109 109    0.5038744065E-01     1.949604170        0.9496041704    
FOB,PFOB,DIAG,PSTEP=    0.5442056425E-05    0.5730818935E-05     13.91069749       -0.4119738047E-06
J1,K1,R1,R2,RAT= 110 110    0.1521256053         1.847871223        0.8478712228    
FOB,PFOB,DIAG,PSTEP=   -0.9248239284E-05   -0.1090756128E-04     12.24398149        0.8908522596E-06
J1,K1,R1,R2,RAT= 111 111    0.3280884472         1.671925273        0.6719115528    
FOB,PFOB,DIAG,PSTEP=   -0.1300165211E-05   -0.1935017861E-05     10.08789934        0.1918144225E-06
J1,K1,R1,R2,RAT= 112 112    0.4166886053         692.2639765        0.5833113947    
FOB,PFOB,DIAG,PSTEP=    0.3153065365E-01    0.3156863447E-01     9.114917179       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8381769460         1663.148665        0.1618230540    
FOB,PFOB,DIAG,PSTEP=    0.9876209655E-01    0.9866260044E-01     5.753336185       -0.2063244312E-04
J1,K1,R1,R2,RAT= 114 114    0.1959830231        -57838.77639        0.8040169769    
FOB,PFOB,DIAG,PSTEP=    0.9136479294        0.9136417377         3.159281335        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03153      0.09876      0.91365 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3817057414
 Log product of positive Hessian eigenvalues =          519.0742569992
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1592813353
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000052
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000064
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=        0.0000000158
 Unscaled step for mode   64=       -0.0000000008
 Unscaled step for mode   65=        0.0000000099
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=        0.0000000155
 Unscaled step for mode   68=        0.0000000038
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000121
 Unscaled step for mode   71=       -0.0000000065
 Unscaled step for mode   72=        0.0000000100
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000007
 Unscaled step for mode   75=        0.0000000021
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=       -0.0000000090
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000062
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000153
 Unscaled step for mode   83=       -0.0000000034
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=        0.0000000278
 Unscaled step for mode   86=        0.0000000079
 Unscaled step for mode   87=       -0.0000000130
 Unscaled step for mode   88=        0.0000000188
 Unscaled step for mode   89=       -0.0000000336
 Unscaled step for mode   90=       -0.0000000378
 Unscaled step for mode   91=       -0.0000000483
 Unscaled step for mode   92=       -0.0000000646
 Unscaled step for mode   93=       -0.0000000631
 Unscaled step for mode   94=        0.0000000130
 Unscaled step for mode   95=       -0.0000000382
 Unscaled step for mode   96=        0.0000000255
 Unscaled step for mode   97=       -0.0000000704
 Unscaled step for mode   98=        0.0000000128
 Unscaled step for mode   99=       -0.0000000497
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=        0.0000003347
 Unscaled step for mode  102=        0.0000000037
 Unscaled step for mode  103=        0.0000000887
 Unscaled step for mode  104=        0.0000000492
 Unscaled step for mode  105=        0.0000002638
 Unscaled step for mode  106=       -0.0000002420
 Unscaled step for mode  107=        0.0000010511
 Unscaled step for mode  108=        0.0000014230
 Unscaled step for mode  109=       -0.0000003912
 Unscaled step for mode  110=        0.0000007553
 Unscaled step for mode  111=        0.0000001289
 Unscaled step for mode  112=       -0.0034591950
 Unscaled step for mode  113=       -0.0171610015
 Unscaled step for mode  114=        0.2683668295
 Largest modulus ratio of non-zero e/values=           236.3843246    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.919946E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.216103E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.487783E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.391668E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.195379E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.496930E-14    0.974310E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172648E-06    0.746805E+03  0.231182E-09 0.100000E-04    0.989624E+00
   8   -0.407884E-06    0.674013E+03  0.605157E-09 0.100000E-04    0.949783E+00
   9   -0.723009E-06    0.630786E+03  0.114620E-08 0.100000E-04    0.944878E+00
  10   -0.267576E-07    0.600648E+03  0.445479E-10 0.100000E-04    0.487314E+00
  11    0.122519E-07    0.586350E+03 -0.208952E-10 0.100000E-04    0.764771E+00
  12   -0.103058E-05    0.578896E+03  0.178026E-08 0.100000E-04    0.941959E+00
  13    0.504972E-07    0.564775E+03 -0.894113E-10 0.100000E-04    0.917907E+00
  14    0.428280E-06    0.487442E+03 -0.878629E-09 0.100000E-04    0.932009E+00
  15   -0.435071E-06    0.460565E+03  0.944646E-09 0.100000E-04    0.938066E+00
  16   -0.122201E-06    0.459754E+03  0.265796E-09 0.100000E-04    0.814192E+00
  17   -0.583458E-06    0.441645E+03  0.132110E-08 0.100000E-04    0.906806E+00
  18   -0.412345E-06    0.429426E+03  0.960224E-09 0.100000E-04    0.929867E+00
  19   -0.155432E-06    0.421884E+03  0.368423E-09 0.100000E-04    0.660581E+00
  20   -0.372614E-06    0.407890E+03  0.913515E-09 0.100000E-04    0.921796E+00
  21   -0.424310E-06    0.396318E+03  0.107063E-08 0.100000E-04    0.917849E+00
  22   -0.644338E-06    0.387420E+03  0.166315E-08 0.100000E-04    0.990120E+00
  23    0.802041E-06    0.370046E+03 -0.216741E-08 0.100000E-04    0.922003E+00
  24   -0.433567E-06    0.360574E+03  0.120244E-08 0.100000E-04    0.975309E+00
  25   -0.885104E-07    0.349321E+03  0.253379E-09 0.109000E-04    0.144730E+00
  26   -0.632908E-07    0.335319E+03  0.188748E-09 0.100000E-04    0.870686E+01
  27    0.366764E-06    0.329333E+03 -0.111366E-08 0.100000E-04    0.890607E+00
  28   -0.389222E-06    0.321822E+03  0.120943E-08 0.100000E-04    0.896211E+00
  29   -0.753950E-07    0.319148E+03  0.236238E-09 0.100000E-04    0.505752E+00
  30   -0.138312E-05    0.309355E+03  0.447100E-08 0.100000E-04    0.961680E+00
  31   -0.104528E-05    0.300798E+03  0.347502E-08 0.100000E-04    0.955012E+00
  32   -0.125248E-05    0.290603E+03  0.430994E-08 0.100000E-04    0.968301E+00
  33   -0.188309E-07    0.279044E+03  0.674836E-10 0.100000E-04    0.271145E+00
  34   -0.504159E-07    0.272751E+03  0.184842E-09 0.100000E-04    0.243837E+02
  35    0.103771E-05    0.268546E+03 -0.386417E-08 0.100000E-04    0.967904E+00
  36    0.125880E-05    0.264965E+03 -0.475082E-08 0.100000E-04    0.983159E+00
  37   -0.491656E-06    0.263856E+03  0.186335E-08 0.100000E-04    0.896309E+00
  38   -0.142222E-06    0.253196E+03  0.561708E-09 0.100000E-04    0.980582E+00
  39   -0.400926E-06    0.241584E+03  0.165958E-08 0.100000E-04    0.879615E+00
  40   -0.126126E-05    0.240788E+03  0.523804E-08 0.100000E-04    0.985510E+00
  41   -0.100025E-05    0.234038E+03  0.427387E-08 0.100000E-04    0.992288E+00
  42   -0.171568E-05    0.227530E+03  0.754044E-08 0.100000E-04    0.963401E+00
  43   -0.127376E-07    0.217158E+03  0.586558E-10 0.100000E-04    0.784683E+00
  44   -0.197126E-05    0.214897E+03  0.917306E-08 0.100000E-04    0.966823E+00
  45    0.721365E-06    0.213251E+03 -0.338270E-08 0.100000E-04    0.983911E+00
  46    0.107909E-05    0.207692E+03 -0.519562E-08 0.100000E-04    0.982414E+00
  47   -0.749640E-06    0.202985E+03  0.369309E-08 0.100000E-04    0.964972E+00
  48   -0.120737E-05    0.195406E+03  0.617877E-08 0.100000E-04    0.926333E+00
  49    0.954694E-06    0.194854E+03 -0.489954E-08 0.100000E-04    0.948104E+00
  50    0.124289E-05    0.191378E+03 -0.649442E-08 0.100000E-04    0.879043E+00
  51    0.218003E-06    0.182984E+03 -0.119138E-08 0.100000E-04    0.865568E+00
  52   -0.600684E-06    0.174382E+03  0.344465E-08 0.100000E-04    0.926898E+00
  53    0.128447E-06    0.172345E+03 -0.745293E-09 0.100000E-04    0.747336E+00
  54   -0.224972E-06    0.168225E+03  0.133733E-08 0.100000E-04    0.925312E+00
  55   -0.842617E-06    0.163211E+03  0.516275E-08 0.100000E-04    0.992225E+00
  56    0.135933E-05    0.156867E+03 -0.866549E-08 0.100000E-04    0.969684E+00
  57   -0.346777E-06    0.154929E+03  0.223830E-08 0.100000E-04    0.830008E+00
  58    0.924681E-06    0.152249E+03 -0.607347E-08 0.100000E-04    0.996610E+00
  59   -0.639582E-06    0.146645E+03  0.436142E-08 0.100000E-04    0.997413E+00
  60   -0.178840E-06    0.143334E+03  0.124771E-08 0.100000E-04    0.735479E+00
  61   -0.880178E-06    0.138110E+03  0.637301E-08 0.100000E-04    0.821509E+00
  62    0.950330E-06    0.135873E+03 -0.699425E-08 0.100000E-04    0.965807E+00
  63   -0.205351E-05    0.130283E+03  0.157620E-07 0.100000E-04    0.916470E+00
  64    0.109461E-06    0.128847E+03 -0.849546E-09 0.100000E-04    0.492646E+00
  65   -0.126098E-05    0.126905E+03  0.993636E-08 0.100000E-04    0.882026E+00
  66    0.642976E-06    0.124037E+03 -0.518376E-08 0.100000E-04    0.885694E+00
  67   -0.186213E-05    0.120017E+03  0.155155E-07 0.100000E-04    0.958852E+00
  68   -0.443522E-06    0.118172E+03  0.375319E-08 0.100000E-04    0.929730E+00
  69    0.172827E-07    0.116824E+03 -0.147938E-09 0.100000E-04    0.217211E+00
  70    0.133209E-05    0.110371E+03 -0.120692E-07 0.100000E-04    0.942194E+00
  71    0.695061E-06    0.106821E+03 -0.650679E-08 0.100000E-04    0.913355E+00
  72   -0.104167E-05    0.104461E+03  0.997185E-08 0.100000E-04    0.833415E+00
  73    0.139555E-06    0.102858E+03 -0.135678E-08 0.100000E-04    0.753634E+00
  74    0.743383E-07    0.995101E+02 -0.747043E-09 0.100000E-04    0.801940E+00
  75   -0.199528E-06    0.960837E+02  0.207661E-08 0.100000E-04    0.174391E+01
  76    0.181871E-06    0.940959E+02 -0.193283E-08 0.100000E-04    0.857713E+00
  77   -0.155421E-05    0.919551E+02  0.169019E-07 0.100000E-04    0.952522E+00
  78    0.816783E-06    0.912385E+02 -0.895217E-08 0.100000E-04    0.965069E+00
  79   -0.737286E-06    0.884021E+02  0.834014E-08 0.100000E-04    0.982273E+00
  80   -0.526724E-06    0.856191E+02  0.615195E-08 0.100000E-04    0.913321E+00
  81    0.129037E-05    0.808374E+02 -0.159625E-07 0.100000E-04    0.992402E+00
  82   -0.122913E-05    0.805244E+02  0.152640E-07 0.100000E-04    0.930680E+00
  83    0.261469E-06    0.779494E+02 -0.335435E-08 0.100000E-04    0.711263E+00
  84    0.317436E-06    0.732780E+02 -0.433194E-08 0.100000E-04    0.583998E+00
  85   -0.201876E-05    0.725371E+02  0.278308E-07 0.100000E-04    0.886097E+00
  86   -0.537159E-06    0.679076E+02  0.791014E-08 0.100000E-04    0.837667E+00
  87    0.838745E-06    0.647384E+02 -0.129559E-07 0.100000E-04    0.798629E+00
  88   -0.115349E-05    0.613341E+02  0.188066E-07 0.100000E-04    0.958754E+00
  89    0.200877E-05    0.598285E+02 -0.335755E-07 0.100000E-04    0.941104E+00
  90    0.224483E-05    0.594038E+02 -0.377893E-07 0.100000E-04    0.972805E+00
  91    0.280923E-05    0.581348E+02 -0.483226E-07 0.100000E-04    0.918972E+00
  92    0.360941E-05    0.558668E+02 -0.646075E-07 0.100000E-04    0.946581E+00
  93    0.330995E-05    0.524423E+02 -0.631160E-07 0.100000E-04    0.981876E+00
  94   -0.678125E-06    0.520171E+02  0.130366E-07 0.100000E-04    0.805064E+00
  95    0.192247E-05    0.502610E+02 -0.382496E-07 0.100000E-04    0.881153E+00
  96   -0.117563E-05    0.461438E+02  0.254775E-07 0.100000E-04    0.924298E+00
  97    0.305268E-05    0.433600E+02 -0.704031E-07 0.100000E-04    0.879603E+00
  98   -0.523897E-06    0.409201E+02  0.128029E-07 0.100000E-04    0.654382E+00
  99    0.188202E-05    0.378664E+02 -0.497016E-07 0.100000E-04    0.808106E+00
 100    0.154158E-05    0.361963E+02 -0.425894E-07 0.100000E-04    0.887276E+00
 101   -0.107969E-04    0.322556E+02  0.334729E-06 0.100000E-04    0.938705E+00
 102   -0.106642E-06    0.289130E+02  0.368837E-08 0.100000E-04    0.274819E+00
 103   -0.252489E-05    0.284547E+02  0.887336E-07 0.100000E-04    0.958086E+00
 104   -0.129339E-05    0.263085E+02  0.491624E-07 0.100000E-04    0.662550E+00
 105   -0.615323E-05    0.233296E+02  0.263753E-06 0.100000E-04    0.927045E+00
 106    0.516409E-05    0.213351E+02 -0.242046E-06 0.100000E-04    0.959958E+00
 107   -0.208658E-04    0.198506E+02  0.105114E-05 0.100000E-04    0.919924E+00
 108   -0.234120E-04    0.164523E+02  0.142303E-05 0.100000E-04    0.929156E+00
 109    0.544206E-05    0.139107E+02 -0.391214E-06 0.100000E-04    0.949604E+00
 110   -0.924824E-05    0.122440E+02  0.755329E-06 0.100000E-04    0.847871E+00
 111   -0.130017E-05    0.100879E+02  0.128884E-06 0.100000E-04    0.671912E+00
 112    0.315307E-01    0.911492E+01 -0.100000E-04 0.100000E-04    0.583311E+00
 113    0.987621E-01    0.575334E+01 -0.224894E-04 0.224894E-04    0.161823E+00
 114    0.913648E+00    0.315928E+01  0.100000E-04 0.100000E-04    0.804017E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2248936301E-04    0.2683668295    

 Beginning of optimization cycle  640.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992235856
 potential> RMS force:                                               0.0861214514   |gradient|=.9195254761    
 Eigenvalues of the Hessian matrix:
   746.80851    674.01138    630.78914    600.64570    586.34923    578.89649 
   564.77057    487.44139    460.56359    459.75355    441.64468    429.42749 
   421.88346    407.88819    396.31728    387.41878    370.04624    360.57386 
   349.31999    335.31992    329.33411    321.82180    319.14891    309.35370 
   300.79723    290.60315    279.04542    272.75146    268.54625    264.96499 
   263.85705    253.19551    241.58395    240.78822    234.03928    227.53056 
   217.15840    214.89688    213.25071    207.69301    202.98445    195.40522 
   194.85421    191.37832    182.98452    174.38264    172.34518    168.22522 
   163.21058    156.86648    154.92929    152.24909    146.64476    143.33379 
   138.11082    135.87315    130.28253    128.84712    126.90536    124.03555 
   120.01761    118.17211    116.82313    110.37127    106.82055    104.46123 
   102.85792     99.51005     96.08346     94.09562     91.95466     91.23876 
    88.40154     85.61938     80.83745     80.52512     77.94915     73.27780 
    72.53644     67.90722     64.73793     61.33363     59.82827     59.40385 
    58.13477     55.86657     52.44221     52.01668     50.26160     46.14336 
    43.36055     40.92025     37.86636     36.19589     32.25523     28.91337 
    28.45476     26.30883     23.32948     21.33534     19.85055     16.45219 
    13.91076     12.24400     10.08783      9.11649      5.75352      3.15897 
overlap for current and previous eigenvector    109 is         0.9999999877
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999604
overlap for current and previous eigenvector    112 is         0.9999999245
overlap for current and previous eigenvector    113 is         0.9999999295
overlap for current and previous eigenvector    114 is         0.9999999640
J1,K1,R1,R2,RAT=   7   7    0.4564499611E-02     1.995424977        0.9954249771    
FOB,PFOB,DIAG,PSTEP=   -0.1718599785E-06   -0.1726480345E-06     746.8085143        0.2311823441E-09
J1,K1,R1,R2,RAT=   8   8   -0.4324071151E-01     2.043245022        0.9567592885    
FOB,PFOB,DIAG,PSTEP=   -0.4255208852E-06   -0.4078837400E-06     674.0113781        0.6051572335E-09
J1,K1,R1,R2,RAT=   9   9   -0.4658387203E-01     2.046574278        0.9534161280    
FOB,PFOB,DIAG,PSTEP=   -0.7566901151E-06   -0.7230093772E-06     630.7891373        0.1146203704E-08
J1,K1,R1,R2,RAT=  10  10   -0.8913824806         2.891390020        0.1086175194    
FOB,PFOB,DIAG,PSTEP=   -0.5060878661E-07   -0.2675761092E-07     600.6456984        0.4454790923E-10
J1,K1,R1,R2,RAT=  11  11   -0.1700907926         2.170092771        0.8299092074    
FOB,PFOB,DIAG,PSTEP=    0.1433585577E-07    0.1225191919E-07     586.3492337       -0.2089523848E-10
J1,K1,R1,R2,RAT= 109 109   -0.4196603270E-01     2.041957458        0.9580339673    
FOB,PFOB,DIAG,PSTEP=    0.5670438922E-05    0.5442056425E-05     13.91075713       -0.3912137710E-06
J1,K1,R1,R2,RAT= 110 110   -0.1483038165         2.148300602        0.8516961835    
FOB,PFOB,DIAG,PSTEP=   -0.1061979067E-04   -0.9248239284E-05     12.24400117        0.7553294075E-06
J1,K1,R1,R2,RAT= 111 111   -0.4712065632         2.471219720        0.5287934368    
FOB,PFOB,DIAG,PSTEP=   -0.1912807561E-05   -0.1300165211E-05     10.08783298        0.1288836423E-06
J1,K1,R1,R2,RAT= 112 112    0.3863619125         691.3413670        0.6136380875    
FOB,PFOB,DIAG,PSTEP=    0.3149543099E-01    0.3153065365E-01     9.116492611       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7853172388         1527.328875        0.2146827612    
FOB,PFOB,DIAG,PSTEP=    0.9886371118E-01    0.9876209655E-01     5.753524160       -0.2248936301E-04
J1,K1,R1,R2,RAT= 114 114    0.1483820951        -57844.84852        0.8516179049    
FOB,PFOB,DIAG,PSTEP=    0.9136526167        0.9136479294         3.158968504        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03150      0.09886      0.91365 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3816855734
 Log product of positive Hessian eigenvalues =          519.0743312948
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1589685045
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000006
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000089
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000044
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000075
 Unscaled step for mode   62=       -0.0000000072
 Unscaled step for mode   63=        0.0000000170
 Unscaled step for mode   64=       -0.0000000016
 Unscaled step for mode   65=        0.0000000110
 Unscaled step for mode   66=       -0.0000000058
 Unscaled step for mode   67=        0.0000000160
 Unscaled step for mode   68=        0.0000000040
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000127
 Unscaled step for mode   71=       -0.0000000070
 Unscaled step for mode   72=        0.0000000088
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=        0.0000000008
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=       -0.0000000092
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000067
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000162
 Unscaled step for mode   83=       -0.0000000027
 Unscaled step for mode   84=       -0.0000000069
 Unscaled step for mode   85=        0.0000000308
 Unscaled step for mode   86=        0.0000000091
 Unscaled step for mode   87=       -0.0000000157
 Unscaled step for mode   88=        0.0000000181
 Unscaled step for mode   89=        0.0000000353
 Unscaled step for mode   90=        0.0000000385
 Unscaled step for mode   91=       -0.0000000517
 Unscaled step for mode   92=       -0.0000000676
 Unscaled step for mode   93=       -0.0000000640
 Unscaled step for mode   94=        0.0000000111
 Unscaled step for mode   95=       -0.0000000427
 Unscaled step for mode   96=        0.0000000272
 Unscaled step for mode   97=       -0.0000000782
 Unscaled step for mode   98=        0.0000000184
 Unscaled step for mode   99=       -0.0000000597
 Unscaled step for mode  100=       -0.0000000471
 Unscaled step for mode  101=        0.0000003525
 Unscaled step for mode  102=        0.0000000117
 Unscaled step for mode  103=        0.0000000920
 Unscaled step for mode  104=        0.0000000386
 Unscaled step for mode  105=        0.0000002810
 Unscaled step for mode  106=       -0.0000002496
 Unscaled step for mode  107=        0.0000011276
 Unscaled step for mode  108=        0.0000015123
 Unscaled step for mode  109=       -0.0000004076
 Unscaled step for mode  110=        0.0000008673
 Unscaled step for mode  111=        0.0000001896
 Unscaled step for mode  112=       -0.0034547338
 Unscaled step for mode  113=       -0.0171780869
 Unscaled step for mode  114=        0.2683910263
 Largest modulus ratio of non-zero e/values=           236.4089776    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.153024E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.180655E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.462649E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.750586E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.156017E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.404674E-14    0.974310E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171860E-06    0.746809E+03  0.230126E-09 0.100000E-04    0.995425E+00
   8   -0.425521E-06    0.674011E+03  0.631326E-09 0.100000E-04    0.956759E+00
   9   -0.756690E-06    0.630789E+03  0.119959E-08 0.100000E-04    0.953416E+00
  10   -0.506088E-07    0.600646E+03  0.842573E-10 0.109000E-04    0.108618E+00
  11    0.143359E-07    0.586349E+03 -0.244493E-10 0.100000E-04    0.829909E+00
  12   -0.108263E-05    0.578896E+03  0.187016E-08 0.100000E-04    0.949499E+00
  13    0.469831E-07    0.564771E+03 -0.831896E-10 0.100000E-04    0.930408E+00
  14    0.454940E-06    0.487441E+03 -0.933323E-09 0.100000E-04    0.937752E+00
  15   -0.458272E-06    0.460564E+03  0.995025E-09 0.100000E-04    0.946672E+00
  16   -0.145224E-06    0.459754E+03  0.315874E-09 0.100000E-04    0.811596E+00
  17   -0.633431E-06    0.441645E+03  0.143426E-08 0.100000E-04    0.914349E+00
  18   -0.436512E-06    0.429427E+03  0.101650E-08 0.100000E-04    0.941391E+00
  19   -0.121803E-06    0.421883E+03  0.288713E-09 0.100000E-04    0.783643E+00
  20   -0.398298E-06    0.407888E+03  0.976489E-09 0.100000E-04    0.931069E+00
  21   -0.455076E-06    0.396317E+03  0.114826E-08 0.100000E-04    0.927494E+00
  22   -0.647873E-06    0.387419E+03  0.167228E-08 0.100000E-04    0.994514E+00
  23    0.857498E-06    0.370046E+03 -0.231727E-08 0.100000E-04    0.930855E+00
  24   -0.441206E-06    0.360574E+03  0.122362E-08 0.100000E-04    0.982379E+00
  25   -0.541953E-07    0.349320E+03  0.155145E-09 0.100000E-04    0.612303E+00
  26   -0.141558E-07    0.335320E+03  0.422157E-10 0.100000E-04    0.223660E+00
  27    0.403969E-06    0.329334E+03 -0.122662E-08 0.100000E-04    0.898560E+00
  28   -0.425595E-06    0.321822E+03  0.132246E-08 0.100000E-04    0.906548E+00
  29   -0.135226E-06    0.319149E+03  0.423708E-09 0.100000E-04    0.206435E+00
  30   -0.142712E-05    0.309354E+03  0.461323E-08 0.100000E-04    0.968192E+00
  31   -0.108579E-05    0.300797E+03  0.360972E-08 0.100000E-04    0.961239E+00
  32   -0.128482E-05    0.290603E+03  0.442121E-08 0.100000E-04    0.974183E+00
  33   -0.615925E-07    0.279045E+03  0.220726E-09 0.100000E-04    0.127081E+01
  34   -0.657977E-08    0.272751E+03  0.241237E-10 0.109000E-04    0.130508E+00
  35    0.106320E-05    0.268546E+03 -0.395910E-08 0.100000E-04    0.975431E+00
  36    0.127588E-05    0.264965E+03 -0.481528E-08 0.100000E-04    0.986432E+00
  37   -0.539281E-06    0.263857E+03  0.204384E-08 0.100000E-04    0.903136E+00
  38   -0.138892E-06    0.253196E+03  0.548558E-09 0.100000E-04    0.976588E+00
  39   -0.366475E-06    0.241584E+03  0.151697E-08 0.100000E-04    0.914068E+00
  40   -0.127506E-05    0.240788E+03  0.529536E-08 0.100000E-04    0.989055E+00
  41   -0.992796E-06    0.234039E+03  0.424201E-08 0.100000E-04    0.992541E+00
  42   -0.176595E-05    0.227531E+03  0.776137E-08 0.100000E-04    0.970698E+00
  43   -0.136386E-07    0.217158E+03  0.628050E-10 0.100000E-04    0.929259E+00
  44   -0.202474E-05    0.214897E+03  0.942193E-08 0.100000E-04    0.972870E+00
  45    0.709235E-06    0.213251E+03 -0.332583E-08 0.100000E-04    0.983185E+00
  46    0.109528E-05    0.207693E+03 -0.527357E-08 0.100000E-04    0.984994E+00
  47   -0.772453E-06    0.202984E+03  0.380548E-08 0.100000E-04    0.969568E+00
  48   -0.128387E-05    0.195405E+03  0.657027E-08 0.100000E-04    0.936641E+00
  49    0.999344E-06    0.194854E+03 -0.512868E-08 0.100000E-04    0.953231E+00
  50    0.138411E-05    0.191378E+03 -0.723231E-08 0.100000E-04    0.886378E+00
  51    0.246060E-06    0.182985E+03 -0.134470E-08 0.100000E-04    0.871304E+00
  52   -0.638317E-06    0.174383E+03  0.366044E-08 0.100000E-04    0.937351E+00
  53    0.108608E-06    0.172345E+03 -0.630179E-09 0.100000E-04    0.845543E+00
  54   -0.212382E-06    0.168225E+03  0.126249E-08 0.100000E-04    0.944035E+00
  55   -0.835010E-06    0.163211E+03  0.511615E-08 0.100000E-04    0.990972E+00
  56    0.139166E-05    0.156866E+03 -0.887165E-08 0.100000E-04    0.976211E+00
  57   -0.405645E-06    0.154929E+03  0.261826E-08 0.100000E-04    0.830245E+00
  58    0.921778E-06    0.152249E+03 -0.605441E-08 0.100000E-04    0.996860E+00
  59   -0.638445E-06    0.146645E+03  0.435369E-08 0.100000E-04    0.998222E+00
  60   -0.231272E-06    0.143334E+03  0.161352E-08 0.100000E-04    0.706820E+00
  61   -0.103977E-05    0.138111E+03  0.752851E-08 0.100000E-04    0.818684E+00
  62    0.973679E-06    0.135873E+03 -0.716609E-08 0.100000E-04    0.975430E+00
  63   -0.220851E-05    0.130283E+03  0.169517E-07 0.100000E-04    0.924524E+00
  64    0.203311E-06    0.128847E+03 -0.157792E-08 0.109000E-04    0.142629E+00
  65   -0.140064E-05    0.126905E+03  0.110368E-07 0.100000E-04    0.889245E+00
  66    0.714570E-06    0.124036E+03 -0.576101E-08 0.100000E-04    0.888652E+00
  67   -0.192626E-05    0.120018E+03  0.160498E-07 0.100000E-04    0.965562E+00
  68   -0.471603E-06    0.118172E+03  0.399082E-08 0.100000E-04    0.936685E+00
  69    0.707409E-07    0.116823E+03 -0.605538E-09 0.100000E-04    0.209318E+01
  70    0.139833E-05    0.110371E+03 -0.126693E-07 0.100000E-04    0.950269E+00
  71    0.749665E-06    0.106821E+03 -0.701798E-08 0.100000E-04    0.921439E+00
  72   -0.914738E-06    0.104461E+03  0.875672E-08 0.100000E-04    0.878142E+00
  73    0.176986E-06    0.102858E+03 -0.172069E-08 0.100000E-04    0.731783E+00
  74    0.347259E-07    0.995100E+02 -0.348968E-09 0.100000E-04    0.467132E+00
  75   -0.766970E-07    0.960835E+02  0.798234E-09 0.100000E-04    0.384391E+00
  76    0.206033E-06    0.940956E+02 -0.218961E-08 0.100000E-04    0.867149E+00
  77    0.149746E-05    0.919547E+02 -0.162848E-07 0.100000E-04    0.963485E+00
  78    0.837021E-06    0.912388E+02 -0.917397E-08 0.100000E-04    0.975222E+00
  79   -0.746301E-06    0.884015E+02  0.844217E-08 0.100000E-04    0.987772E+00
  80   -0.569686E-06    0.856194E+02  0.665370E-08 0.100000E-04    0.918435E+00
  81    0.129656E-05    0.808375E+02 -0.160391E-07 0.100000E-04    0.995201E+00
  82   -0.130556E-05    0.805251E+02  0.162131E-07 0.100000E-04    0.937814E+00
  83    0.209800E-06    0.779491E+02 -0.269149E-08 0.100000E-04    0.802386E+00
  84    0.504299E-06    0.732778E+02 -0.688202E-08 0.100000E-04    0.411334E+00
  85   -0.223669E-05    0.725364E+02  0.308354E-07 0.100000E-04    0.892047E+00
  86   -0.619392E-06    0.679072E+02  0.912115E-08 0.100000E-04    0.846910E+00
  87    0.101667E-05    0.647379E+02 -0.157044E-07 0.100000E-04    0.787865E+00
  88   -0.111037E-05    0.613336E+02  0.181037E-07 0.100000E-04    0.962617E+00
  89   -0.211134E-05    0.598283E+02  0.352900E-07 0.100000E-04    0.948939E+00
  90   -0.228934E-05    0.594038E+02  0.385385E-07 0.100000E-04    0.980172E+00
  91    0.300435E-05    0.581348E+02 -0.516790E-07 0.100000E-04    0.930542E+00
  92    0.377386E-05    0.558666E+02 -0.675513E-07 0.100000E-04    0.954439E+00
  93    0.335449E-05    0.524422E+02 -0.639654E-07 0.100000E-04    0.986544E+00
  94   -0.579859E-06    0.520167E+02  0.111476E-07 0.100000E-04    0.855090E+00
  95    0.214463E-05    0.502616E+02 -0.426693E-07 0.100000E-04    0.884441E+00
  96   -0.125450E-05    0.461434E+02  0.271870E-07 0.100000E-04    0.932911E+00
  97    0.339040E-05    0.433606E+02 -0.781909E-07 0.100000E-04    0.889369E+00
  98   -0.754394E-06    0.409202E+02  0.184357E-07 0.100000E-04    0.560034E+00
  99    0.226240E-05    0.378664E+02 -0.597469E-07 0.100000E-04    0.797889E+00
 100    0.170411E-05    0.361959E+02 -0.470802E-07 0.100000E-04    0.894568E+00
 101   -0.113685E-04    0.322552E+02  0.352455E-06 0.100000E-04    0.947054E+00
 102   -0.339446E-06    0.289134E+02  0.117401E-07 0.100000E-04    0.118301E+01
 103   -0.261745E-05    0.284548E+02  0.919863E-07 0.100000E-04    0.963340E+00
 104   -0.101473E-05    0.263088E+02  0.385701E-07 0.100000E-04    0.784533E+00
 105   -0.655569E-05    0.233295E+02  0.281005E-06 0.100000E-04    0.934594E+00
 106    0.532611E-05    0.213353E+02 -0.249638E-06 0.100000E-04    0.968625E+00
 107   -0.223842E-04    0.198505E+02  0.112764E-05 0.100000E-04    0.927228E+00
 108   -0.248815E-04    0.164522E+02  0.151235E-05 0.100000E-04    0.937236E+00
 109    0.567044E-05    0.139108E+02 -0.407630E-06 0.100000E-04    0.958034E+00
 110   -0.106198E-04    0.122440E+02  0.867346E-06 0.100000E-04    0.851696E+00
 111   -0.191281E-05    0.100878E+02  0.189615E-06 0.100000E-04    0.528793E+00
 112    0.314954E-01    0.911649E+01 -0.100000E-04 0.100000E-04    0.613638E+00
 113    0.988637E-01    0.575352E+01 -0.202607E-04 0.202607E-04    0.214683E+00
 114    0.913653E+00    0.315897E+01  0.100000E-04 0.100000E-04    0.851618E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2026068739E-04    0.2683910263    

 Beginning of optimization cycle  641.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992167653
 potential> RMS force:                                               0.0861229250   |gradient|=.9195412095    
 Eigenvalues of the Hessian matrix:
   746.81232    674.01016    630.79204    600.64342    586.34873    578.89666 
   564.76666    487.44108    460.56231    459.75302    441.64413    429.42871 
   421.88285    407.88661    396.31673    387.41738    370.04670    360.57401 
   349.31925    335.32055    329.33496    321.82158    319.14952    309.35256 
   300.79662    290.60320    279.04684    272.75191    268.54647    264.96531 
   263.85760    253.19490    241.58422    240.78859    234.04002    227.53085 
   217.15909    214.89702    213.25042    207.69349    202.98405    195.40443 
   194.85455    191.37878    182.98523    174.38335    172.34541    168.22549 
   163.21026    156.86626    154.92980    152.24892    146.64419    143.33341 
   138.11133    135.87315    130.28229    128.84732    126.90556    124.03447 
   120.01779    118.17224    116.82272    110.37150    106.82040    104.46145 
   102.85800     99.50999     96.08327     94.09541     91.95425     91.23896 
    88.40103     85.61967     80.83753     80.52577     77.94893     73.27761 
    72.53589     67.90694     64.73749     61.33317     59.82802     59.40395 
    58.13474     55.86636     52.44212     52.01632     50.26218     46.14296 
    43.36110     40.92036     37.86633     36.19558     32.25487     28.91370 
    28.45482     26.30911     23.32937     21.33559     19.85045     16.45210 
    13.91082     12.24402     10.08776      9.11797      5.75369      3.15867 
overlap for current and previous eigenvector    109 is         0.9999999894
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999669
overlap for current and previous eigenvector    112 is         0.9999999351
overlap for current and previous eigenvector    113 is         0.9999999380
overlap for current and previous eigenvector    114 is         0.9999999688
J1,K1,R1,R2,RAT=   7   7   -0.1158843180E-01     2.011578229        0.9884115682    
FOB,PFOB,DIAG,PSTEP=   -0.1738515763E-06   -0.1718599785E-06     746.8123240        0.2301258960E-09
J1,K1,R1,R2,RAT=   8   8    0.4969326302E-01     1.950310346        0.9503067370    
FOB,PFOB,DIAG,PSTEP=   -0.4043754021E-06   -0.4255208852E-06     674.0101619        0.6313259672E-09
J1,K1,R1,R2,RAT=   9   9    0.5413047965E-01     1.945860312        0.9458603123    
FOB,PFOB,DIAG,PSTEP=   -0.7157299276E-06   -0.7566901151E-06     630.7920415        0.1199592812E-08
J1,K1,R1,R2,RAT=  10  10    0.5460039208         1.454003676        0.4539960792    
FOB,PFOB,DIAG,PSTEP=   -0.2297629565E-07   -0.5060878661E-07     600.6434168        0.8425730301E-10
J1,K1,R1,R2,RAT=  11  11    0.2539964946         1.746005211        0.7460035054    
FOB,PFOB,DIAG,PSTEP=    0.1069460176E-07    0.1433585577E-07     586.3487336       -0.2444934682E-10
J1,K1,R1,R2,RAT= 109 109    0.4615553264E-01     1.953836062        0.9538360615    
FOB,PFOB,DIAG,PSTEP=    0.5408715693E-05    0.5670438922E-05     13.91081560       -0.4076297837E-06
J1,K1,R1,R2,RAT= 110 110    0.1535848331         1.846411877        0.8464118771    
FOB,PFOB,DIAG,PSTEP=   -0.8988749210E-05   -0.1061979067E-04     12.24402131        0.8673464272E-06
J1,K1,R1,R2,RAT= 111 111    0.3145657447         1.685447872        0.6854342553    
FOB,PFOB,DIAG,PSTEP=   -0.1311107923E-05   -0.1912807561E-05     10.08776430        0.1896153083E-06
J1,K1,R1,R2,RAT= 112 112    0.4232955620         690.4198659        0.5767044380    
FOB,PFOB,DIAG,PSTEP=    0.3145683504E-01    0.3149543099E-01     9.117968520       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8438368413         1697.001396        0.1561631587    
FOB,PFOB,DIAG,PSTEP=    0.9896208039E-01    0.9886371118E-01     5.753691030       -0.2026068739E-04
J1,K1,R1,R2,RAT= 114 114    0.2062541595        -57850.70943        0.7937458405    
FOB,PFOB,DIAG,PSTEP=    0.9136591316        0.9136526167         3.158667830        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03146      0.09896      0.91366 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3816636981
 Log product of positive Hessian eigenvalues =          519.0743997980
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1586678300
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000061
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=        0.0000000062
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=        0.0000000155
 Unscaled step for mode   64=       -0.0000000007
 Unscaled step for mode   65=        0.0000000097
 Unscaled step for mode   66=       -0.0000000051
 Unscaled step for mode   67=        0.0000000154
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000119
 Unscaled step for mode   71=       -0.0000000064
 Unscaled step for mode   72=        0.0000000102
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000023
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=       -0.0000000089
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000061
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000151
 Unscaled step for mode   83=       -0.0000000035
 Unscaled step for mode   84=       -0.0000000038
 Unscaled step for mode   85=        0.0000000273
 Unscaled step for mode   86=        0.0000000076
 Unscaled step for mode   87=       -0.0000000124
 Unscaled step for mode   88=        0.0000000188
 Unscaled step for mode   89=        0.0000000333
 Unscaled step for mode   90=        0.0000000375
 Unscaled step for mode   91=       -0.0000000473
 Unscaled step for mode   92=       -0.0000000638
 Unscaled step for mode   93=       -0.0000000627
 Unscaled step for mode   94=        0.0000000132
 Unscaled step for mode   95=       -0.0000000376
 Unscaled step for mode   96=        0.0000000249
 Unscaled step for mode   97=       -0.0000000688
 Unscaled step for mode   98=        0.0000000120
 Unscaled step for mode   99=       -0.0000000480
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003299
 Unscaled step for mode  102=        0.0000000019
 Unscaled step for mode  103=        0.0000000882
 Unscaled step for mode  104=        0.0000000520
 Unscaled step for mode  105=        0.0000002598
 Unscaled step for mode  106=       -0.0000002399
 Unscaled step for mode  107=        0.0000010336
 Unscaled step for mode  108=        0.0000014022
 Unscaled step for mode  109=       -0.0000003888
 Unscaled step for mode  110=        0.0000007341
 Unscaled step for mode  111=        0.0000001300
 Unscaled step for mode  112=       -0.0034499418
 Unscaled step for mode  113=       -0.0171946705
 Unscaled step for mode  114=        0.2684147974
 Largest modulus ratio of non-zero e/values=           236.4326875    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.420996E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.127068E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.600083E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.842100E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.167320E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.343956E-14    0.974310E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173852E-06    0.746812E+03  0.232792E-09 0.100000E-04    0.988412E+00
   8   -0.404375E-06    0.674010E+03  0.599954E-09 0.100000E-04    0.950307E+00
   9   -0.715730E-06    0.630792E+03  0.113465E-08 0.100000E-04    0.945860E+00
  10   -0.229763E-07    0.600643E+03  0.382528E-10 0.100000E-04    0.453996E+00
  11    0.106946E-07    0.586349E+03 -0.182393E-10 0.100000E-04    0.746004E+00
  12   -0.102056E-05    0.578897E+03  0.176294E-08 0.100000E-04    0.942669E+00
  13    0.508563E-07    0.564767E+03 -0.900484E-10 0.100000E-04    0.917559E+00
  14    0.424152E-06    0.487441E+03 -0.870160E-09 0.100000E-04    0.932324E+00
  15   -0.430144E-06    0.460562E+03  0.933955E-09 0.100000E-04    0.938622E+00
  16   -0.117782E-06    0.459753E+03  0.256186E-09 0.100000E-04    0.811038E+00
  17   -0.574782E-06    0.441644E+03  0.130146E-08 0.100000E-04    0.907410E+00
  18   -0.406794E-06    0.429429E+03  0.947291E-09 0.100000E-04    0.931913E+00
  19   -0.161129E-06    0.421883E+03  0.381927E-09 0.100000E-04    0.677140E+00
  20   -0.367423E-06    0.407887E+03  0.900798E-09 0.100000E-04    0.922483E+00
  21   -0.418272E-06    0.396317E+03  0.105540E-08 0.100000E-04    0.919127E+00
  22   -0.641776E-06    0.387417E+03  0.165655E-08 0.100000E-04    0.990590E+00
  23    0.791523E-06    0.370047E+03 -0.213898E-08 0.100000E-04    0.923058E+00
  24   -0.431421E-06    0.360574E+03  0.119648E-08 0.100000E-04    0.977820E+00
  25   -0.939462E-07    0.349319E+03  0.268941E-09 0.100000E-04    0.266523E+00
  26   -0.736266E-07    0.335321E+03  0.219571E-09 0.100000E-04    0.320117E+01
  27    0.358620E-06    0.329335E+03 -0.108892E-08 0.100000E-04    0.887738E+00
  28   -0.380772E-06    0.321822E+03  0.118318E-08 0.100000E-04    0.894681E+00
  29   -0.602266E-07    0.319150E+03  0.188710E-09 0.100000E-04    0.445374E+00
  30   -0.136864E-05    0.309353E+03  0.442421E-08 0.100000E-04    0.959023E+00
  31   -0.103647E-05    0.300797E+03  0.344574E-08 0.100000E-04    0.954571E+00
  32   -0.124343E-05    0.290603E+03  0.427879E-08 0.100000E-04    0.967787E+00
  33   -0.103023E-07    0.279047E+03  0.369194E-10 0.109000E-04    0.167259E+00
  34   -0.600813E-07    0.272752E+03  0.220278E-09 0.100000E-04    0.713120E+01
  35    0.102910E-05    0.268546E+03 -0.383209E-08 0.100000E-04    0.967919E+00
  36    0.125366E-05    0.264965E+03 -0.473140E-08 0.100000E-04    0.982581E+00
  37   -0.483176E-06    0.263858E+03  0.183120E-08 0.100000E-04    0.895960E+00
  38   -0.142290E-06    0.253195E+03  0.561980E-09 0.100000E-04    0.975535E+00
  39   -0.410020E-06    0.241584E+03  0.169722E-08 0.100000E-04    0.881178E+00
  40   -0.125634E-05    0.240789E+03  0.521761E-08 0.100000E-04    0.985316E+00
  41   -0.100179E-05    0.234040E+03  0.428040E-08 0.100000E-04    0.990945E+00
  42   -0.169949E-05    0.227531E+03  0.746926E-08 0.100000E-04    0.962361E+00
  43   -0.107500E-07    0.217159E+03  0.495028E-10 0.100000E-04    0.788195E+00
  44   -0.195829E-05    0.214897E+03  0.911270E-08 0.100000E-04    0.967179E+00
  45    0.721065E-06    0.213250E+03 -0.338131E-08 0.100000E-04    0.983319E+00
  46    0.107714E-05    0.207693E+03 -0.518619E-08 0.100000E-04    0.983428E+00
  47   -0.745592E-06    0.202984E+03  0.367316E-08 0.100000E-04    0.965226E+00
  48   -0.118807E-05    0.195404E+03  0.608006E-08 0.100000E-04    0.925386E+00
  49    0.947205E-06    0.194855E+03 -0.486109E-08 0.100000E-04    0.947823E+00
  50    0.121378E-05    0.191379E+03 -0.634228E-08 0.100000E-04    0.876934E+00
  51    0.212008E-06    0.182985E+03 -0.115861E-08 0.100000E-04    0.861606E+00
  52   -0.591390E-06    0.174383E+03  0.339132E-08 0.100000E-04    0.926476E+00
  53    0.133321E-06    0.172345E+03 -0.773571E-09 0.100000E-04    0.772457E+00
  54   -0.226564E-06    0.168225E+03  0.134679E-08 0.100000E-04    0.933222E+00
  55   -0.839319E-06    0.163210E+03  0.514256E-08 0.100000E-04    0.994840E+00
  56    0.135212E-05    0.156866E+03 -0.861959E-08 0.100000E-04    0.971586E+00
  57   -0.337732E-06    0.154930E+03  0.217990E-08 0.100000E-04    0.832575E+00
  58    0.922076E-06    0.152249E+03 -0.605637E-08 0.100000E-04    0.999677E+00
  59   -0.637169E-06    0.146644E+03  0.434500E-08 0.100000E-04    0.998001E+00
  60   -0.170519E-06    0.143333E+03  0.118967E-08 0.100000E-04    0.737311E+00
  61   -0.850328E-06    0.138111E+03  0.615683E-08 0.100000E-04    0.817798E+00
  62    0.942736E-06    0.135873E+03 -0.693836E-08 0.100000E-04    0.968220E+00
  63   -0.202038E-05    0.130282E+03  0.155077E-07 0.100000E-04    0.914817E+00
  64    0.900417E-07    0.128847E+03 -0.698825E-09 0.100000E-04    0.442876E+00
  65   -0.123599E-05    0.126906E+03  0.973946E-08 0.100000E-04    0.882448E+00
  66    0.631887E-06    0.124034E+03 -0.509445E-08 0.100000E-04    0.884289E+00
  67   -0.184701E-05    0.120018E+03  0.153895E-07 0.100000E-04    0.958857E+00
  68   -0.437983E-06    0.118172E+03  0.370631E-08 0.100000E-04    0.928709E+00
  69    0.113023E-07    0.116823E+03 -0.967472E-10 0.109000E-04    0.159767E+00
  70    0.131790E-05    0.110372E+03 -0.119406E-07 0.100000E-04    0.942477E+00
  71    0.684754E-06    0.106820E+03 -0.641033E-08 0.100000E-04    0.913413E+00
  72   -0.106518E-05    0.104461E+03  0.101968E-07 0.100000E-04    0.835540E+00
  73    0.132077E-06    0.102858E+03 -0.128407E-08 0.100000E-04    0.746257E+00
  74    0.796711E-07    0.995100E+02 -0.800634E-09 0.100000E-04    0.294288E+00
  75   -0.219290E-06    0.960833E+02  0.228229E-08 0.100000E-04    0.859174E+00
  76    0.175741E-06    0.940954E+02 -0.186768E-08 0.100000E-04    0.852974E+00
  77   -0.156226E-05    0.919542E+02  0.169896E-07 0.100000E-04    0.956725E+00
  78    0.808323E-06    0.912390E+02 -0.885940E-08 0.100000E-04    0.965709E+00
  79   -0.732286E-06    0.884010E+02  0.828369E-08 0.100000E-04    0.981222E+00
  80   -0.520133E-06    0.856197E+02  0.607492E-08 0.100000E-04    0.913011E+00
  81    0.128556E-05    0.808375E+02 -0.159030E-07 0.100000E-04    0.991517E+00
  82   -0.121332E-05    0.805258E+02  0.150674E-07 0.100000E-04    0.929329E+00
  83    0.269798E-06    0.779489E+02 -0.346122E-08 0.100000E-04    0.714018E+00
  84    0.281885E-06    0.732776E+02 -0.384682E-08 0.100000E-04    0.558964E+00
  85   -0.198298E-05    0.725359E+02  0.273380E-07 0.100000E-04    0.886570E+00
  86   -0.518934E-06    0.679069E+02  0.764185E-08 0.100000E-04    0.837812E+00
  87    0.800683E-06    0.647375E+02 -0.123682E-07 0.100000E-04    0.787552E+00
  88   -0.115379E-05    0.613332E+02  0.188118E-07 0.100000E-04    0.960894E+00
  89   -0.199038E-05    0.598280E+02  0.332684E-07 0.100000E-04    0.942710E+00
  90   -0.222999E-05    0.594039E+02  0.375395E-07 0.100000E-04    0.974074E+00
  91    0.274852E-05    0.581347E+02 -0.472784E-07 0.100000E-04    0.914846E+00
  92    0.356647E-05    0.558664E+02 -0.638393E-07 0.100000E-04    0.945045E+00
  93    0.328843E-05    0.524421E+02 -0.627059E-07 0.100000E-04    0.980307E+00
  94   -0.688436E-06    0.520163E+02  0.132350E-07 0.100000E-04    0.812752E+00
  95    0.188972E-05    0.502622E+02 -0.375972E-07 0.100000E-04    0.881119E+00
  96   -0.114794E-05    0.461430E+02  0.248778E-07 0.100000E-04    0.915056E+00
  97    0.298310E-05    0.433611E+02 -0.687967E-07 0.100000E-04    0.879843E+00
  98   -0.490131E-06    0.409204E+02  0.119777E-07 0.100000E-04    0.649697E+00
  99    0.181619E-05    0.378663E+02 -0.479633E-07 0.100000E-04    0.802773E+00
 100    0.150981E-05    0.361956E+02 -0.417127E-07 0.100000E-04    0.885984E+00
 101   -0.106412E-04    0.322549E+02  0.329909E-06 0.100000E-04    0.936020E+00
 102   -0.544728E-07    0.289137E+02  0.188398E-08 0.109000E-04    0.160462E+00
 103   -0.250844E-05    0.284548E+02  0.881553E-07 0.100000E-04    0.958350E+00
 104   -0.136881E-05    0.263091E+02  0.520281E-07 0.100000E-04    0.651066E+00
 105   -0.605996E-05    0.233294E+02  0.259757E-06 0.100000E-04    0.924382E+00
 106    0.511838E-05    0.213356E+02 -0.239899E-06 0.100000E-04    0.960975E+00
 107   -0.205177E-04    0.198504E+02  0.103362E-05 0.100000E-04    0.916616E+00
 108   -0.230688E-04    0.164521E+02  0.140218E-05 0.100000E-04    0.927147E+00
 109    0.540872E-05    0.139108E+02 -0.388814E-06 0.100000E-04    0.953836E+00
 110   -0.898875E-05    0.122440E+02  0.734134E-06 0.100000E-04    0.846412E+00
 111   -0.131111E-05    0.100878E+02  0.129970E-06 0.100000E-04    0.685434E+00
 112    0.314568E-01    0.911797E+01 -0.100000E-04 0.100000E-04    0.576704E+00
 113    0.989621E-01    0.575369E+01 -0.220841E-04 0.220841E-04    0.156163E+00
 114    0.913659E+00    0.315867E+01  0.100000E-04 0.100000E-04    0.793746E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2208414926E-04    0.2684147974    

 Beginning of optimization cycle  642.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992101268
 potential> RMS force:                                               0.0861242917   |gradient|=.9195558016    
 Eigenvalues of the Hessian matrix:
   746.81622    674.00874    630.79504    600.64116    586.34817    578.89683 
   564.76250    487.44066    460.56099    459.75247    441.64353    429.43007 
   421.88221    407.88495    396.31615    387.41594    370.04717    360.57419 
   349.31855    335.32121    329.33585    321.82130    319.15025    309.35139 
   300.79607    290.60328    279.04837    272.75238    268.54675    264.96564 
   263.85824    253.19432    241.58459    240.78898    234.04085    227.53121 
   217.15987    214.89716    213.25013    207.69400    202.98363    195.40361 
   194.85495    191.37924    182.98600    174.38411    172.34566    168.22578 
   163.20993    156.86604    154.93033    152.24873    146.64358    143.33298 
   138.11186    135.87314    130.28202    128.84754    126.90576    124.03331 
   120.01797    118.17237    116.82227    110.37176    106.82023    104.46167 
   102.85807     99.50991     96.08306     94.09516     91.95385     91.23919 
    88.40051     85.61999     80.83761     80.52647     77.94870     73.27738 
    72.53529     67.90662     64.73703     61.33273     59.82775     59.40404 
    58.13468     55.86611     52.44200     52.01593     50.26278     46.14252 
    43.36169     40.92047     37.86627     36.19520     32.25448     28.91404 
    28.45488     26.30940     23.32928     21.33582     19.85036     16.45199 
    13.91088     12.24404     10.08770      9.11953      5.75387      3.15836 
overlap for current and previous eigenvector    109 is         0.9999999880
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999611
overlap for current and previous eigenvector    112 is         0.9999999260
overlap for current and previous eigenvector    113 is         0.9999999314
overlap for current and previous eigenvector    114 is         0.9999999651
J1,K1,R1,R2,RAT=   7   7    0.4161978268E-02     1.995827597        0.9958275967    
FOB,PFOB,DIAG,PSTEP=   -0.1731280060E-06   -0.1738515763E-06     746.8162168        0.2327915203E-09
J1,K1,R1,R2,RAT=   8   8   -0.4283875646E-01     2.042842976        0.9571612435    
FOB,PFOB,DIAG,PSTEP=   -0.4216983049E-06   -0.4043754021E-06     674.0087398        0.5999544590E-09
J1,K1,R1,R2,RAT=   9   9   -0.4623639198E-01     2.046226894        0.9537636080    
FOB,PFOB,DIAG,PSTEP=   -0.7488228542E-06   -0.7157299276E-06     630.7950372        0.1134652755E-08
J1,K1,R1,R2,RAT=  10  10    -1.021269860         3.021277381        0.2126986019E-01
FOB,PFOB,DIAG,PSTEP=   -0.4644120567E-07   -0.2297629565E-07     600.6411582        0.3825280526E-10
J1,K1,R1,R2,RAT=  11  11   -0.1852537576         2.185255684        0.8147462424    
FOB,PFOB,DIAG,PSTEP=    0.1267581502E-07    0.1069460176E-07     586.3481689       -0.1823931929E-10
J1,K1,R1,R2,RAT= 109 109   -0.4196651019E-01     2.041957926        0.9580334898    
FOB,PFOB,DIAG,PSTEP=    0.5635701589E-05    0.5408715693E-05     13.91087531       -0.3888137007E-06
J1,K1,R1,R2,RAT= 110 110   -0.1499146515         2.149911330        0.8500853485    
FOB,PFOB,DIAG,PSTEP=   -0.1033629665E-04   -0.8988749210E-05     12.24404165        0.7341337442E-06
J1,K1,R1,R2,RAT= 111 111   -0.4673129962         2.467326052        0.5326870038    
FOB,PFOB,DIAG,PSTEP=   -0.1923801695E-05   -0.1311107923E-05     10.08769845        0.1299701186E-06
J1,K1,R1,R2,RAT= 112 112    0.3935023702         689.4851763        0.6064976298    
FOB,PFOB,DIAG,PSTEP=    0.3142094948E-01    0.3145683504E-01     9.119526667       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7899618557         1558.396411        0.2100381443    
FOB,PFOB,DIAG,PSTEP=    0.9906246039E-01    0.9896208039E-01     5.753874723       -0.2208414926E-04
J1,K1,R1,R2,RAT= 114 114    0.1596649321        -57856.77534        0.8403350679    
FOB,PFOB,DIAG,PSTEP=    0.9136641744        0.9136591316         3.158356641        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03142      0.09906      0.91366 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3816432758
 Log product of positive Hessian eigenvalues =          519.0744731086
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1583566408
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000071
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=        0.0000000073
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=        0.0000000167
 Unscaled step for mode   64=       -0.0000000014
 Unscaled step for mode   65=        0.0000000108
 Unscaled step for mode   66=       -0.0000000057
 Unscaled step for mode   67=        0.0000000159
 Unscaled step for mode   68=        0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000125
 Unscaled step for mode   71=       -0.0000000069
 Unscaled step for mode   72=        0.0000000090
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=        0.0000000010
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=       -0.0000000091
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000066
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000160
 Unscaled step for mode   83=       -0.0000000028
 Unscaled step for mode   84=       -0.0000000063
 Unscaled step for mode   85=        0.0000000303
 Unscaled step for mode   86=        0.0000000088
 Unscaled step for mode   87=       -0.0000000151
 Unscaled step for mode   88=        0.0000000181
 Unscaled step for mode   89=        0.0000000350
 Unscaled step for mode   90=        0.0000000383
 Unscaled step for mode   91=       -0.0000000505
 Unscaled step for mode   92=       -0.0000000667
 Unscaled step for mode   93=       -0.0000000635
 Unscaled step for mode   94=        0.0000000114
 Unscaled step for mode   95=       -0.0000000419
 Unscaled step for mode   96=        0.0000000265
 Unscaled step for mode   97=       -0.0000000764
 Unscaled step for mode   98=        0.0000000175
 Unscaled step for mode   99=       -0.0000000578
 Unscaled step for mode  100=       -0.0000000461
 Unscaled step for mode  101=        0.0000003471
 Unscaled step for mode  102=        0.0000000098
 Unscaled step for mode  103=        0.0000000914
 Unscaled step for mode  104=        0.0000000418
 Unscaled step for mode  105=        0.0000002766
 Unscaled step for mode  106=       -0.0000002473
 Unscaled step for mode  107=        0.0000011081
 Unscaled step for mode  108=        0.0000014893
 Unscaled step for mode  109=       -0.0000004051
 Unscaled step for mode  110=        0.0000008442
 Unscaled step for mode  111=        0.0000001907
 Unscaled step for mode  112=       -0.0034454175
 Unscaled step for mode  113=       -0.0172115521
 Unscaled step for mode  114=        0.2684389714
 Largest modulus ratio of non-zero e/values=           236.4572155    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.612466E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.183967E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.549642E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.316695E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.278079E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.434871E-14    0.974311E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173128E-06    0.746816E+03  0.231821E-09 0.100000E-04    0.995828E+00
   8   -0.421698E-06    0.674009E+03  0.625657E-09 0.100000E-04    0.957161E+00
   9   -0.748823E-06    0.630795E+03  0.118711E-08 0.100000E-04    0.953764E+00
  10   -0.464412E-07    0.600641E+03  0.773194E-10 0.109000E-04    0.212699E-01
  11    0.126758E-07    0.586348E+03 -0.216182E-10 0.100000E-04    0.814746E+00
  12   -0.107171E-05    0.578897E+03  0.185130E-08 0.100000E-04    0.949882E+00
  13    0.473944E-07    0.564762E+03 -0.839191E-10 0.100000E-04    0.931926E+00
  14    0.450354E-06    0.487441E+03 -0.923915E-09 0.100000E-04    0.938225E+00
  15   -0.452941E-06    0.460561E+03  0.983454E-09 0.100000E-04    0.947003E+00
  16   -0.140382E-06    0.459752E+03  0.305342E-09 0.100000E-04    0.808126E+00
  17   -0.623837E-06    0.441644E+03  0.141254E-08 0.100000E-04    0.914654E+00
  18   -0.430616E-06    0.429430E+03  0.100276E-08 0.100000E-04    0.941439E+00
  19   -0.128107E-06    0.421882E+03  0.303656E-09 0.100000E-04    0.795062E+00
  20   -0.392627E-06    0.407885E+03  0.962592E-09 0.100000E-04    0.931405E+00
  21   -0.448560E-06    0.396316E+03  0.113182E-08 0.100000E-04    0.927590E+00
  22   -0.645199E-06    0.387416E+03  0.166539E-08 0.100000E-04    0.994667E+00
  23    0.846065E-06    0.370047E+03 -0.228637E-08 0.100000E-04    0.931093E+00
  24   -0.438984E-06    0.360574E+03  0.121746E-08 0.100000E-04    0.982469E+00
  25   -0.600990E-07    0.349319E+03  0.172046E-09 0.100000E-04    0.639716E+00
  26   -0.257403E-07    0.335321E+03  0.767633E-10 0.100000E-04    0.349604E+00
  27    0.394912E-06    0.329336E+03 -0.119912E-08 0.100000E-04    0.898803E+00
  28   -0.416387E-06    0.321821E+03  0.129384E-08 0.100000E-04    0.906467E+00
  29   -0.118593E-06    0.319150E+03  0.371589E-09 0.109000E-04    0.308923E-01
  30   -0.141107E-05    0.309351E+03  0.456138E-08 0.100000E-04    0.968999E+00
  31   -0.107605E-05    0.300796E+03  0.357735E-08 0.100000E-04    0.961807E+00
  32   -0.127490E-05    0.290603E+03  0.438706E-08 0.100000E-04    0.974694E+00
  33   -0.521648E-07    0.279048E+03  0.186938E-09 0.100000E-04    0.306341E+01
  34   -0.172522E-07    0.272752E+03  0.632522E-10 0.100000E-04    0.287145E+00
  35    0.105400E-05    0.268547E+03 -0.392483E-08 0.100000E-04    0.975800E+00
  36    0.127020E-05    0.264966E+03 -0.479382E-08 0.100000E-04    0.986808E+00
  37   -0.529952E-06    0.263858E+03  0.200847E-08 0.100000E-04    0.903190E+00
  38   -0.139097E-06    0.253194E+03  0.549370E-09 0.100000E-04    0.977560E+00
  39   -0.376304E-06    0.241585E+03  0.155765E-08 0.100000E-04    0.917765E+00
  40   -0.126972E-05    0.240789E+03  0.527317E-08 0.100000E-04    0.989350E+00
  41   -0.994626E-06    0.234041E+03  0.424979E-08 0.100000E-04    0.992845E+00
  42   -0.174829E-05    0.227531E+03  0.768375E-08 0.100000E-04    0.971281E+00
  43   -0.116617E-07    0.217160E+03  0.537011E-10 0.100000E-04    0.915187E+00
  44   -0.201067E-05    0.214897E+03  0.935644E-08 0.100000E-04    0.973252E+00
  45    0.709001E-06    0.213250E+03 -0.332474E-08 0.100000E-04    0.983269E+00
  46    0.109319E-05    0.207694E+03 -0.526346E-08 0.100000E-04    0.985098E+00
  47   -0.767949E-06    0.202984E+03  0.378330E-08 0.100000E-04    0.970015E+00
  48   -0.126296E-05    0.195404E+03  0.646333E-08 0.100000E-04    0.936967E+00
  49    0.991016E-06    0.194855E+03 -0.508592E-08 0.100000E-04    0.953747E+00
  50    0.135211E-05    0.191379E+03 -0.706510E-08 0.100000E-04    0.886029E+00
  51    0.239424E-06    0.182986E+03 -0.130843E-08 0.100000E-04    0.870687E+00
  52   -0.628226E-06    0.174384E+03  0.360254E-08 0.100000E-04    0.937713E+00
  53    0.113657E-06    0.172346E+03 -0.659472E-09 0.100000E-04    0.852503E+00
  54   -0.214053E-06    0.168226E+03  0.127241E-08 0.100000E-04    0.944774E+00
  55   -0.831326E-06    0.163210E+03  0.509360E-08 0.100000E-04    0.990477E+00
  56    0.138399E-05    0.156866E+03 -0.882274E-08 0.100000E-04    0.976433E+00
  57   -0.395775E-06    0.154930E+03  0.255454E-08 0.100000E-04    0.828139E+00
  58    0.918650E-06    0.152249E+03 -0.603388E-08 0.100000E-04    0.996285E+00
  59   -0.635969E-06    0.146644E+03  0.433683E-08 0.100000E-04    0.998115E+00
  60   -0.222419E-06    0.143333E+03  0.155177E-08 0.100000E-04    0.695635E+00
  61   -0.100699E-05    0.138112E+03  0.729109E-08 0.100000E-04    0.815768E+00
  62    0.965761E-06    0.135873E+03 -0.710781E-08 0.100000E-04    0.975577E+00
  63   -0.217192E-05    0.130282E+03  0.166709E-07 0.100000E-04    0.924995E+00
  64    0.181911E-06    0.128848E+03 -0.141184E-08 0.109000E-04    0.203000E-01
  65   -0.137331E-05    0.126906E+03  0.108215E-07 0.100000E-04    0.888896E+00
  66    0.702239E-06    0.124033E+03 -0.566169E-08 0.100000E-04    0.888663E+00
  67   -0.190973E-05    0.120018E+03  0.159121E-07 0.100000E-04    0.966041E+00
  68   -0.465486E-06    0.118172E+03  0.393904E-08 0.100000E-04    0.937207E+00
  69    0.641903E-07    0.116822E+03 -0.549470E-09 0.100000E-04    0.367944E+01
  70    0.138281E-05    0.110372E+03 -0.125287E-07 0.100000E-04    0.950749E+00
  71    0.738473E-06    0.106820E+03 -0.691323E-08 0.100000E-04    0.921549E+00
  72   -0.940944E-06    0.104462E+03  0.900755E-08 0.100000E-04    0.883365E+00
  73    0.168632E-06    0.102858E+03 -0.163946E-08 0.100000E-04    0.723236E+00
  74    0.403744E-07    0.995099E+02 -0.405733E-09 0.100000E-04    0.506763E+00
  75   -0.984268E-07    0.960831E+02  0.102439E-08 0.100000E-04    0.448842E+00
  76    0.199160E-06    0.940952E+02 -0.211658E-08 0.100000E-04    0.866740E+00
  77   -0.150574E-05    0.919538E+02  0.163749E-07 0.100000E-04    0.963819E+00
  78    0.828156E-06    0.912392E+02 -0.907675E-08 0.100000E-04    0.975464E+00
  79   -0.740944E-06    0.884005E+02  0.838167E-08 0.100000E-04    0.988177E+00
  80   -0.562414E-06    0.856200E+02  0.656872E-08 0.100000E-04    0.918712E+00
  81    0.129125E-05    0.808376E+02 -0.159734E-07 0.100000E-04    0.995573E+00
  82   -0.128813E-05    0.805265E+02  0.159964E-07 0.100000E-04    0.938341E+00
  83    0.219177E-06    0.779487E+02 -0.281181E-08 0.100000E-04    0.812373E+00
  84    0.465205E-06    0.732774E+02 -0.634854E-08 0.100000E-04    0.349666E+00
  85   -0.219739E-05    0.725353E+02  0.302941E-07 0.100000E-04    0.891875E+00
  86   -0.599933E-06    0.679066E+02  0.883468E-08 0.100000E-04    0.843913E+00
  87    0.974491E-06    0.647370E+02 -0.150531E-07 0.100000E-04    0.782924E+00
  88   -0.111068E-05    0.613327E+02  0.181090E-07 0.100000E-04    0.962633E+00
  89   -0.209121E-05    0.598278E+02  0.349538E-07 0.100000E-04    0.949345E+00
  90   -0.227404E-05    0.594040E+02  0.382809E-07 0.100000E-04    0.980249E+00
  91    0.293756E-05    0.581347E+02 -0.505303E-07 0.100000E-04    0.931219E+00
  92    0.372669E-05    0.558661E+02 -0.667076E-07 0.100000E-04    0.955075E+00
  93    0.333080E-05    0.524420E+02 -0.635140E-07 0.100000E-04    0.987116E+00
  94   -0.591432E-06    0.520159E+02  0.113702E-07 0.100000E-04    0.859094E+00
  95    0.210821E-05    0.502628E+02 -0.419437E-07 0.100000E-04    0.884380E+00
  96   -0.122304E-05    0.461425E+02  0.265056E-07 0.100000E-04    0.934578E+00
  97    0.331494E-05    0.433617E+02 -0.764486E-07 0.100000E-04    0.888763E+00
  98   -0.718065E-06    0.409205E+02  0.175478E-07 0.100000E-04    0.534956E+00
  99    0.218901E-05    0.378663E+02 -0.578090E-07 0.100000E-04    0.794725E+00
 100    0.166914E-05    0.361952E+02 -0.461150E-07 0.100000E-04    0.894471E+00
 101   -0.111962E-04    0.322545E+02  0.347119E-06 0.100000E-04    0.947846E+00
 102   -0.282216E-06    0.289140E+02  0.976051E-08 0.100000E-04    0.318081E+01
 103   -0.259976E-05    0.284549E+02  0.913644E-07 0.100000E-04    0.963595E+00
 104   -0.109983E-05    0.263094E+02  0.418035E-07 0.100000E-04    0.803469E+00
 105   -0.645220E-05    0.233293E+02  0.276571E-06 0.100000E-04    0.935274E+00
 106    0.527657E-05    0.213358E+02 -0.247310E-06 0.100000E-04    0.969094E+00
 107   -0.219963E-04    0.198504E+02  0.110810E-05 0.100000E-04    0.927939E+00
 108   -0.245025E-04    0.164520E+02  0.148933E-05 0.100000E-04    0.937851E+00
 109    0.563570E-05    0.139109E+02 -0.405129E-06 0.100000E-04    0.958033E+00
 110   -0.103363E-04    0.122440E+02  0.844190E-06 0.100000E-04    0.850085E+00
 111   -0.192380E-05    0.100877E+02  0.190708E-06 0.100000E-04    0.532687E+00
 112    0.314209E-01    0.911953E+01 -0.100000E-04 0.100000E-04    0.606498E+00
 113    0.990625E-01    0.575387E+01 -0.198956E-04 0.198956E-04    0.210038E+00
 114    0.913664E+00    0.315836E+01  0.100000E-04 0.100000E-04    0.840335E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1989562996E-04    0.2684389714    

 Beginning of optimization cycle  643.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2992032735
 potential> RMS force:                                               0.0861257840   |gradient|=.9195717355    
 Eigenvalues of the Hessian matrix:
   746.81999    674.00755    630.79791    600.63888    586.34768    578.89699 
   564.75863    487.44037    460.55972    459.75194    441.64300    429.43126 
   421.88160    407.88338    396.31561    387.41454    370.04763    360.57433 
   349.31781    335.32182    329.33668    321.82109    319.15083    309.35026 
   300.79546    290.60333    279.04977    272.75282    268.54696    264.96595 
   263.85878    253.19371    241.58486    240.78934    234.04157    227.53148 
   217.16055    214.89730    213.24985    207.69446    202.98323    195.40282 
   194.85529    191.37970    182.98669    174.38481    172.34589    168.22604 
   163.20962    156.86582    154.93082    152.24856    146.64301    143.33261 
   138.11236    135.87314    130.28180    128.84774    126.90596    124.03224 
   120.01816    118.17250    116.82188    110.37199    106.82009    104.46190 
   102.85815     99.50985     96.08287     94.09496     91.95344     91.23939 
    88.40001     85.62027     80.83769     80.52711     77.94849     73.27720 
    72.53475     67.90634     64.73660     61.33228     59.82750     59.40414 
    58.13466     55.86591     52.44191     52.01558     50.26335     46.14212 
    43.36223     40.92059     37.86624     36.19490     32.25412     28.91436 
    28.45494     26.30967     23.32917     21.33608     19.85025     16.45190 
    13.91093     12.24406     10.08763      9.12099      5.75404      3.15806 
overlap for current and previous eigenvector    109 is         0.9999999896
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999675
overlap for current and previous eigenvector    112 is         0.9999999363
overlap for current and previous eigenvector    113 is         0.9999999396
overlap for current and previous eigenvector    114 is         0.9999999697
J1,K1,R1,R2,RAT=   7   7   -0.1146234606E-01     2.011452236        0.9885376539    
FOB,PFOB,DIAG,PSTEP=   -0.1751124692E-06   -0.1731280060E-06     746.8199921        0.2318214336E-09
J1,K1,R1,R2,RAT=   8   8    0.4923159214E-01     1.950771938        0.9507684079    
FOB,PFOB,DIAG,PSTEP=   -0.4009374626E-06   -0.4216983049E-06     674.0075502        0.6256570279E-09
J1,K1,R1,R2,RAT=   9   9    0.5363223399E-01     1.946358646        0.9463586455    
FOB,PFOB,DIAG,PSTEP=   -0.7086616285E-06   -0.7488228542E-06     630.7979138        0.1187109616E-08
J1,K1,R1,R2,RAT=  10  10    0.5851416287         1.414865949        0.4148583713    
FOB,PFOB,DIAG,PSTEP=   -0.1926662591E-07   -0.4644120567E-07     600.6388824        0.7731938618E-10
J1,K1,R1,R2,RAT=  11  11    0.2796285433         1.720373115        0.7203714567    
FOB,PFOB,DIAG,PSTEP=    0.9131298269E-08    0.1267581502E-07     586.3476827       -0.2161823929E-10
J1,K1,R1,R2,RAT= 109 109    0.4531276789E-01     1.954678814        0.9546788137    
FOB,PFOB,DIAG,PSTEP=    0.5380331277E-05    0.5635701589E-05     13.91093386       -0.4051291860E-06
J1,K1,R1,R2,RAT= 110 110    0.1549932724         1.845003337        0.8450033374    
FOB,PFOB,DIAG,PSTEP=   -0.8734237495E-05   -0.1033629665E-04     12.24406240        0.8441899293E-06
J1,K1,R1,R2,RAT= 111 111    0.3087350862         1.691278428        0.6912649138    
FOB,PFOB,DIAG,PSTEP=   -0.1329860626E-05   -0.1923801695E-05     10.08763029        0.1907076926E-06
J1,K1,R1,R2,RAT= 112 112    0.4297225367         688.5516091        0.5702774633    
FOB,PFOB,DIAG,PSTEP=    0.3138175454E-01    0.3142094948E-01     9.120987184       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8490265618         1731.496872        0.1509734382    
FOB,PFOB,DIAG,PSTEP=    0.9915965713E-01    0.9906246039E-01     5.754037725       -0.1989562996E-04
J1,K1,R1,R2,RAT= 114 114    0.2166011447        -57862.63319        0.7833988553    
FOB,PFOB,DIAG,PSTEP=    0.9136710148        0.9136641744         3.158057434        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001     -0.00001     -0.00000      0.03138      0.09916      0.91367 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3816211748
 Log product of positive Hessian eigenvalues =          519.0745407575
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1580574344
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000059
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=        0.0000000153
 Unscaled step for mode   64=       -0.0000000005
 Unscaled step for mode   65=        0.0000000095
 Unscaled step for mode   66=       -0.0000000050
 Unscaled step for mode   67=        0.0000000153
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000118
 Unscaled step for mode   71=       -0.0000000063
 Unscaled step for mode   72=        0.0000000104
 Unscaled step for mode   73=       -0.0000000012
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000025
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=       -0.0000000171
 Unscaled step for mode   78=       -0.0000000088
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000060
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000149
 Unscaled step for mode   83=       -0.0000000036
 Unscaled step for mode   84=       -0.0000000034
 Unscaled step for mode   85=        0.0000000269
 Unscaled step for mode   86=        0.0000000074
 Unscaled step for mode   87=       -0.0000000118
 Unscaled step for mode   88=        0.0000000188
 Unscaled step for mode   89=        0.0000000330
 Unscaled step for mode   90=        0.0000000373
 Unscaled step for mode   91=       -0.0000000462
 Unscaled step for mode   92=       -0.0000000631
 Unscaled step for mode   93=       -0.0000000623
 Unscaled step for mode   94=        0.0000000134
 Unscaled step for mode   95=       -0.0000000370
 Unscaled step for mode   96=        0.0000000242
 Unscaled step for mode   97=       -0.0000000672
 Unscaled step for mode   98=        0.0000000112
 Unscaled step for mode   99=       -0.0000000462
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=        0.0000003249
 Unscaled step for mode  102=        0.0000000001
 Unscaled step for mode  103=        0.0000000876
 Unscaled step for mode  104=        0.0000000551
 Unscaled step for mode  105=        0.0000002557
 Unscaled step for mode  106=       -0.0000002378
 Unscaled step for mode  107=        0.0000010156
 Unscaled step for mode  108=        0.0000013810
 Unscaled step for mode  109=       -0.0000003868
 Unscaled step for mode  110=        0.0000007133
 Unscaled step for mode  111=        0.0000001318
 Unscaled step for mode  112=       -0.0034405687
 Unscaled step for mode  113=       -0.0172279417
 Unscaled step for mode  114=        0.2684627246
 Largest modulus ratio of non-zero e/values=           236.4808138    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.465556E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.173228E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.405575E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.427989E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.417852E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.515385E-14    0.974311E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175112E-06    0.746820E+03  0.234477E-09 0.100000E-04    0.988538E+00
   8   -0.400937E-06    0.674008E+03  0.594856E-09 0.100000E-04    0.950768E+00
   9   -0.708662E-06    0.630798E+03  0.112344E-08 0.100000E-04    0.946359E+00
  10   -0.192666E-07    0.600639E+03  0.320769E-10 0.100000E-04    0.414858E+00
  11    0.913130E-08    0.586348E+03 -0.155732E-10 0.100000E-04    0.720371E+00
  12   -0.101083E-05    0.578897E+03  0.174613E-08 0.100000E-04    0.943191E+00
  13    0.512167E-07    0.564759E+03 -0.906877E-10 0.100000E-04    0.919350E+00
  14    0.420140E-06    0.487440E+03 -0.861932E-09 0.100000E-04    0.932912E+00
  15   -0.425330E-06    0.460560E+03  0.923507E-09 0.100000E-04    0.939041E+00
  16   -0.113419E-06    0.459752E+03  0.246695E-09 0.100000E-04    0.807930E+00
  17   -0.566243E-06    0.441643E+03  0.128213E-08 0.100000E-04    0.907678E+00
  18   -0.401468E-06    0.429431E+03  0.934884E-09 0.100000E-04    0.932306E+00
  19   -0.166801E-06    0.421882E+03  0.395375E-09 0.100000E-04    0.697956E+00
  20   -0.362337E-06    0.407883E+03  0.888334E-09 0.100000E-04    0.922853E+00
  21   -0.412432E-06    0.396316E+03  0.104066E-08 0.100000E-04    0.919458E+00
  22   -0.639279E-06    0.387415E+03  0.165012E-08 0.100000E-04    0.990824E+00
  23    0.781331E-06    0.370048E+03 -0.211143E-08 0.100000E-04    0.923486E+00
  24   -0.429456E-06    0.360574E+03  0.119103E-08 0.100000E-04    0.978294E+00
  25   -0.991655E-07    0.349318E+03  0.283883E-09 0.100000E-04    0.349962E+00
  26   -0.843345E-07    0.335322E+03  0.251503E-09 0.100000E-04    0.127635E+01
  27    0.350334E-06    0.329337E+03 -0.106375E-08 0.100000E-04    0.887114E+00
  28   -0.372333E-06    0.321821E+03  0.115696E-08 0.100000E-04    0.894201E+00
  29   -0.447516E-07    0.319151E+03  0.140221E-09 0.100000E-04    0.377353E+00
  30   -0.135354E-05    0.309350E+03  0.437542E-08 0.100000E-04    0.959227E+00
  31   -0.102764E-05    0.300795E+03  0.341639E-08 0.100000E-04    0.955005E+00
  32   -0.123427E-05    0.290603E+03  0.424728E-08 0.100000E-04    0.968138E+00
  33   -0.166575E-08    0.279050E+03  0.596937E-11 0.109000E-04    0.319273E-01
  34   -0.699578E-07    0.272753E+03  0.256488E-09 0.100000E-04    0.205501E+01
  35    0.102055E-05    0.268547E+03 -0.380028E-08 0.100000E-04    0.968266E+00
  36    0.124848E-05    0.264966E+03 -0.471183E-08 0.100000E-04    0.982897E+00
  37   -0.474847E-06    0.263859E+03  0.179962E-08 0.100000E-04    0.896014E+00
  38   -0.142502E-06    0.253194E+03  0.562816E-09 0.100000E-04    0.975527E+00
  39   -0.419172E-06    0.241585E+03  0.173509E-08 0.100000E-04    0.886081E+00
  40   -0.125140E-05    0.240789E+03  0.519708E-08 0.100000E-04    0.985568E+00
  41   -0.100362E-05    0.234042E+03  0.428821E-08 0.100000E-04    0.990957E+00
  42   -0.168305E-05    0.227531E+03  0.739700E-08 0.100000E-04    0.962679E+00
  43   -0.887003E-08    0.217161E+03  0.408455E-10 0.100000E-04    0.760605E+00
  44   -0.194558E-05    0.214897E+03  0.905352E-08 0.100000E-04    0.967624E+00
  45    0.720694E-06    0.213250E+03 -0.337958E-08 0.100000E-04    0.983508E+00
  46    0.107548E-05    0.207694E+03 -0.517821E-08 0.100000E-04    0.983800E+00
  47   -0.741632E-06    0.202983E+03  0.365366E-08 0.100000E-04    0.965731E+00
  48   -0.116880E-05    0.195403E+03  0.598151E-08 0.100000E-04    0.925449E+00
  49    0.939761E-06    0.194855E+03 -0.482287E-08 0.100000E-04    0.948277E+00
  50    0.118484E-05    0.191380E+03 -0.619103E-08 0.100000E-04    0.876282E+00
  51    0.205934E-06    0.182987E+03 -0.112541E-08 0.100000E-04    0.860117E+00
  52   -0.582104E-06    0.174385E+03  0.333804E-08 0.100000E-04    0.926576E+00
  53    0.137875E-06    0.172346E+03 -0.799992E-09 0.100000E-04    0.786919E+00
  54   -0.227970E-06    0.168226E+03  0.135514E-08 0.100000E-04    0.934984E+00
  55   -0.835632E-06    0.163210E+03  0.511999E-08 0.100000E-04    0.994821E+00
  56    0.134530E-05    0.156866E+03 -0.857614E-08 0.100000E-04    0.972049E+00
  57   -0.329133E-06    0.154931E+03  0.212439E-08 0.100000E-04    0.831610E+00
  58    0.918922E-06    0.152249E+03 -0.603567E-08 0.100000E-04    0.999704E+00
  59   -0.634811E-06    0.146643E+03  0.432895E-08 0.100000E-04    0.998179E+00
  60   -0.162796E-06    0.143333E+03  0.113579E-08 0.100000E-04    0.731930E+00
  61   -0.820849E-06    0.138112E+03  0.594334E-08 0.100000E-04    0.815148E+00
  62    0.935435E-06    0.135873E+03 -0.688462E-08 0.100000E-04    0.968599E+00
  63   -0.198695E-05    0.130282E+03  0.152512E-07 0.100000E-04    0.914839E+00
  64    0.703864E-07    0.128848E+03 -0.546276E-09 0.100000E-04    0.386924E+00
  65   -0.121171E-05    0.126906E+03  0.954811E-08 0.100000E-04    0.882323E+00
  66    0.620926E-06    0.124032E+03 -0.500617E-08 0.100000E-04    0.884208E+00
  67   -0.183203E-05    0.120018E+03  0.152646E-07 0.100000E-04    0.959307E+00
  68   -0.432492E-06    0.118173E+03  0.365984E-08 0.100000E-04    0.929118E+00
  69    0.586878E-08    0.116822E+03 -0.502370E-10 0.109000E-04    0.914247E-01
  70    0.130393E-05    0.110372E+03 -0.118140E-07 0.100000E-04    0.942955E+00
  71    0.674573E-06    0.106820E+03 -0.631504E-08 0.100000E-04    0.913469E+00
  72   -0.108906E-05    0.104462E+03  0.104254E-07 0.100000E-04    0.842587E+00
  73    0.124602E-06    0.102858E+03 -0.121140E-08 0.100000E-04    0.738901E+00
  74    0.844249E-07    0.995098E+02 -0.848407E-09 0.109000E-04    0.910485E-01
  75   -0.238603E-06    0.960829E+02  0.248330E-08 0.100000E-04    0.424170E+00
  76    0.169545E-06    0.940950E+02 -0.180185E-08 0.100000E-04    0.851303E+00
  77    0.156942E-05    0.919534E+02 -0.170675E-07 0.100000E-04    0.957709E+00
  78    0.800027E-06    0.912394E+02 -0.876844E-08 0.100000E-04    0.966031E+00
  79   -0.727114E-06    0.884000E+02  0.822527E-08 0.100000E-04    0.981335E+00
  80   -0.513621E-06    0.856203E+02  0.599883E-08 0.100000E-04    0.913238E+00
  81    0.128052E-05    0.808377E+02 -0.158406E-07 0.100000E-04    0.991684E+00
  82   -0.119746E-05    0.805271E+02  0.148703E-07 0.100000E-04    0.929597E+00
  83    0.278419E-06    0.779485E+02 -0.357184E-08 0.100000E-04    0.729706E+00
  84    0.246781E-06    0.732772E+02 -0.336778E-08 0.100000E-04    0.530478E+00
  85   -0.194811E-05    0.725348E+02  0.268575E-07 0.100000E-04    0.886552E+00
  86   -0.501387E-06    0.679063E+02  0.738351E-08 0.100000E-04    0.835738E+00
  87    0.761900E-06    0.647366E+02 -0.117692E-07 0.100000E-04    0.781843E+00
  88   -0.115367E-05    0.613323E+02  0.188102E-07 0.100000E-04    0.961290E+00
  89   -0.197284E-05    0.598275E+02  0.329754E-07 0.100000E-04    0.943396E+00
  90   -0.221575E-05    0.594041E+02  0.372997E-07 0.100000E-04    0.974367E+00
  91    0.268624E-05    0.581347E+02 -0.462071E-07 0.100000E-04    0.914443E+00
  92    0.352269E-05    0.558659E+02 -0.630561E-07 0.100000E-04    0.945258E+00
  93    0.326587E-05    0.524419E+02 -0.622759E-07 0.100000E-04    0.980504E+00
  94   -0.698338E-06    0.520156E+02  0.134255E-07 0.100000E-04    0.819241E+00
  95    0.185782E-05    0.502633E+02 -0.369617E-07 0.100000E-04    0.881210E+00
  96   -0.111817E-05    0.461421E+02  0.242331E-07 0.100000E-04    0.914254E+00
  97    0.291535E-05    0.433622E+02 -0.672325E-07 0.100000E-04    0.879435E+00
  98   -0.458532E-06    0.409206E+02  0.112054E-07 0.100000E-04    0.638563E+00
  99    0.175035E-05    0.378662E+02 -0.462245E-07 0.100000E-04    0.799606E+00
 100    0.147828E-05    0.361949E+02 -0.408422E-07 0.100000E-04    0.885652E+00
 101   -0.104809E-04    0.322541E+02  0.324948E-06 0.100000E-04    0.936116E+00
 102   -0.164254E-08    0.289144E+02  0.568071E-10 0.109000E-04    0.580876E-02
 103   -0.249290E-05    0.284549E+02  0.876089E-07 0.100000E-04    0.958893E+00
 104   -0.145011E-05    0.263097E+02  0.551170E-07 0.100000E-04    0.681513E+00
 105   -0.596447E-05    0.233292E+02  0.255666E-06 0.100000E-04    0.924408E+00
 106    0.507362E-05    0.213361E+02 -0.237795E-06 0.100000E-04    0.961514E+00
 107   -0.201600E-04    0.198503E+02  0.101561E-05 0.100000E-04    0.916520E+00
 108   -0.227199E-04    0.164519E+02  0.138099E-05 0.100000E-04    0.927248E+00
 109    0.538033E-05    0.139109E+02 -0.386770E-06 0.100000E-04    0.954679E+00
 110   -0.873424E-05    0.122441E+02  0.713345E-06 0.100000E-04    0.845003E+00
 111   -0.132986E-05    0.100876E+02  0.131831E-06 0.100000E-04    0.691265E+00
 112    0.313818E-01    0.912099E+01 -0.100000E-04 0.100000E-04    0.570277E+00
 113    0.991597E-01    0.575404E+01 -0.216862E-04 0.216862E-04    0.150973E+00
 114    0.913671E+00    0.315806E+01  0.100000E-04 0.100000E-04    0.783399E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2168623666E-04    0.2684627246    

 Beginning of optimization cycle  644.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991965991
 potential> RMS force:                                               0.0861271712   |gradient|=.9195865466    
 Eigenvalues of the Hessian matrix:
   746.82385    674.00616    630.80088    600.63663    586.34713    578.89716 
   564.75452    487.43997    460.55841    459.75139    441.64241    429.43259 
   421.88096    407.88173    396.31502    387.41310    370.04810    360.57451 
   349.31711    335.32248    329.33757    321.82082    319.15154    309.34910 
   300.79490    290.60340    279.05128    272.75329    268.54724    264.96628 
   263.85941    253.19313    241.58521    240.78972    234.04238    227.53182 
   217.16131    214.89743    213.24957    207.69497    202.98281    195.40201 
   194.85567    191.38016    182.98745    174.38556    172.34614    168.22632 
   163.20930    156.86560    154.93134    152.24837    146.64241    143.33220 
   138.11289    135.87314    130.28153    128.84795    126.90616    124.03110 
   120.01834    118.17263    116.82143    110.37224    106.81992    104.46212 
   102.85822     99.50978     96.08267     94.09472     91.95303     91.23961 
    88.39950     85.62058     80.83778     80.52780     77.94826     73.27698 
    72.53416     67.90603     64.73615     61.33183     59.82724     59.40423 
    58.13461     55.86567     52.44180     52.01519     50.26394     46.14169 
    43.36281     40.92070     37.86619     36.19453     32.25374     28.91470 
    28.45500     26.30996     23.32908     21.33631     19.85016     16.45179 
    13.91099     12.24408     10.08756      9.12253      5.75422      3.15775 
overlap for current and previous eigenvector    109 is        -0.9999999883
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999618
overlap for current and previous eigenvector    112 is        -0.9999999275
overlap for current and previous eigenvector    113 is         0.9999999332
overlap for current and previous eigenvector    114 is         0.9999999661
J1,K1,R1,R2,RAT=   7   7    0.4128116959E-02     1.995861555        0.9958615546    
FOB,PFOB,DIAG,PSTEP=   -0.1743895807E-06   -0.1751124692E-06     746.8238489        0.2344774792E-09
J1,K1,R1,R2,RAT=   8   8   -0.4243626386E-01     2.042440394        0.9575637361    
FOB,PFOB,DIAG,PSTEP=   -0.4179517154E-06   -0.4009374626E-06     674.0061582        0.5948560405E-09
J1,K1,R1,R2,RAT=   9   9   -0.4581015306E-01     2.045800749        0.9541898469    
FOB,PFOB,DIAG,PSTEP=   -0.7411256789E-06   -0.7086616285E-06     630.8008800        0.1123436862E-08
J1,K1,R1,R2,RAT=  10  10    -1.197521133         3.197528635        0.1975211328    
FOB,PFOB,DIAG,PSTEP=   -0.4233873105E-07   -0.1926662591E-07     600.6366294        0.3207688758E-10
J1,K1,R1,R2,RAT=  11  11   -0.2097831569         2.209785032        0.7902168431    
FOB,PFOB,DIAG,PSTEP=    0.1104688905E-07    0.9131298269E-08     586.3471331       -0.1557318045E-10
J1,K1,R1,R2,RAT= 109 109     2.041272546       -0.4128113994E-01    0.9587188601    
FOB,PFOB,DIAG,PSTEP=   -0.5602438439E-05    0.5380331277E-05     13.91099364       -0.3867699559E-06
J1,K1,R1,R2,RAT= 110 110     2.151537053       -0.1515404764        0.8484595236    
FOB,PFOB,DIAG,PSTEP=    0.1005783027E-04   -0.8734237495E-05     12.24408336        0.7133447386E-06
J1,K1,R1,R2,RAT= 111 111     2.454923619       -0.4549106605        0.5450893395    
FOB,PFOB,DIAG,PSTEP=    0.1934824482E-05   -0.1329860626E-05     10.08756493        0.1318308253E-06
J1,K1,R1,R2,RAT= 112 112     687.6051331        0.4004974632        0.5995025368    
FOB,PFOB,DIAG,PSTEP=   -0.3134521905E-01    0.3138175454E-01     9.122528407       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7946368824         1590.053221        0.2053631176    
FOB,PFOB,DIAG,PSTEP=    0.9925881773E-01    0.9915965713E-01     5.754217232       -0.2168623666E-04
J1,K1,R1,R2,RAT= 114 114    0.1708115142        -57868.69293        0.8291884858    
FOB,PFOB,DIAG,PSTEP=    0.9136764086        0.9136710148         3.157747878        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00001      0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03135      0.09926      0.91368 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3816005034
 Log product of positive Hessian eigenvalues =          519.0746131115
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1577478784
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000051
 Unscaled step for mode   56=        0.0000000088
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000071
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000164
 Unscaled step for mode   64=        0.0000000012
 Unscaled step for mode   65=        0.0000000106
 Unscaled step for mode   66=       -0.0000000056
 Unscaled step for mode   67=        0.0000000158
 Unscaled step for mode   68=        0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=       -0.0000000068
 Unscaled step for mode   72=        0.0000000093
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000012
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=        0.0000000090
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000158
 Unscaled step for mode   83=       -0.0000000029
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=        0.0000000298
 Unscaled step for mode   86=        0.0000000086
 Unscaled step for mode   87=       -0.0000000144
 Unscaled step for mode   88=        0.0000000181
 Unscaled step for mode   89=        0.0000000346
 Unscaled step for mode   90=        0.0000000380
 Unscaled step for mode   91=       -0.0000000494
 Unscaled step for mode   92=       -0.0000000659
 Unscaled step for mode   93=       -0.0000000631
 Unscaled step for mode   94=        0.0000000116
 Unscaled step for mode   95=       -0.0000000412
 Unscaled step for mode   96=        0.0000000258
 Unscaled step for mode   97=        0.0000000747
 Unscaled step for mode   98=       -0.0000000167
 Unscaled step for mode   99=       -0.0000000559
 Unscaled step for mode  100=       -0.0000000452
 Unscaled step for mode  101=        0.0000003418
 Unscaled step for mode  102=        0.0000000078
 Unscaled step for mode  103=       -0.0000000908
 Unscaled step for mode  104=        0.0000000450
 Unscaled step for mode  105=        0.0000002722
 Unscaled step for mode  106=       -0.0000002450
 Unscaled step for mode  107=       -0.0000010888
 Unscaled step for mode  108=       -0.0000014666
 Unscaled step for mode  109=        0.0000004027
 Unscaled step for mode  110=       -0.0000008214
 Unscaled step for mode  111=       -0.0000001918
 Unscaled step for mode  112=        0.0034359826
 Unscaled step for mode  113=       -0.0172446219
 Unscaled step for mode  114=        0.2684868750
 Largest modulus ratio of non-zero e/values=           236.5052175    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.459376E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.117647E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.313551E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.551710E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.499238E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.463645E-14    0.974311E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174390E-06    0.746824E+03  0.233508E-09 0.100000E-04    0.995862E+00
   8   -0.417952E-06    0.674006E+03  0.620101E-09 0.100000E-04    0.957564E+00
   9   -0.741126E-06    0.630801E+03  0.117490E-08 0.100000E-04    0.954190E+00
  10   -0.423387E-07    0.600637E+03  0.704898E-10 0.109000E-04    0.197521E+00
  11    0.110469E-07    0.586347E+03 -0.188402E-10 0.100000E-04    0.790217E+00
  12   -0.106102E-05    0.578897E+03  0.183283E-08 0.100000E-04    0.950345E+00
  13    0.478060E-07    0.564755E+03 -0.846491E-10 0.100000E-04    0.933406E+00
  14    0.445856E-06    0.487440E+03 -0.914689E-09 0.100000E-04    0.938793E+00
  15   -0.447714E-06    0.460558E+03  0.972111E-09 0.100000E-04    0.947372E+00
  16   -0.135620E-06    0.459751E+03  0.294985E-09 0.100000E-04    0.804255E+00
  17   -0.614416E-06    0.441642E+03  0.139121E-08 0.100000E-04    0.914926E+00
  18   -0.424854E-06    0.429433E+03  0.989338E-09 0.100000E-04    0.941749E+00
  19   -0.134329E-06    0.421881E+03  0.318404E-09 0.100000E-04    0.805321E+00
  20   -0.387066E-06    0.407882E+03  0.948967E-09 0.100000E-04    0.931750E+00
  21   -0.442179E-06    0.396315E+03  0.111573E-08 0.100000E-04    0.927873E+00
  22   -0.642594E-06    0.387413E+03  0.165868E-08 0.100000E-04    0.994814E+00
  23    0.834873E-06    0.370048E+03 -0.225612E-08 0.100000E-04    0.931474E+00
  24   -0.436843E-06    0.360575E+03  0.121152E-08 0.100000E-04    0.982798E+00
  25   -0.658901E-07    0.349317E+03  0.188626E-09 0.100000E-04    0.664445E+00
  26   -0.372414E-07    0.335322E+03  0.111061E-09 0.100000E-04    0.441588E+00
  27    0.385966E-06    0.329338E+03 -0.117195E-08 0.100000E-04    0.898291E+00
  28   -0.407312E-06    0.321821E+03  0.126565E-08 0.100000E-04    0.906055E+00
  29   -0.102130E-06    0.319152E+03  0.320006E-09 0.100000E-04    0.282160E+00
  30   -0.139516E-05    0.309349E+03  0.450999E-08 0.100000E-04    0.969248E+00
  31   -0.106647E-05    0.300795E+03  0.354551E-08 0.100000E-04    0.962207E+00
  32   -0.126513E-05    0.290603E+03  0.435345E-08 0.100000E-04    0.975004E+00
  33   -0.428357E-07    0.279051E+03  0.153505E-09 0.100000E-04    0.237155E+02
  34   -0.278320E-07    0.272753E+03  0.102041E-09 0.100000E-04    0.397837E+00
  35    0.104497E-05    0.268547E+03 -0.389118E-08 0.100000E-04    0.976078E+00
  36    0.126462E-05    0.264966E+03 -0.477276E-08 0.100000E-04    0.987068E+00
  37   -0.520789E-06    0.263859E+03  0.197374E-08 0.100000E-04    0.903248E+00
  38   -0.139331E-06    0.253193E+03  0.550296E-09 0.100000E-04    0.977752E+00
  39   -0.386016E-06    0.241585E+03  0.159785E-08 0.100000E-04    0.920900E+00
  40   -0.126447E-05    0.240790E+03  0.525136E-08 0.100000E-04    0.989553E+00
  41   -0.996507E-06    0.234042E+03  0.425781E-08 0.100000E-04    0.992906E+00
  42   -0.173089E-05    0.227532E+03  0.760723E-08 0.100000E-04    0.971577E+00
  43   -0.974933E-08    0.217161E+03  0.448944E-10 0.100000E-04    0.900869E+00
  44   -0.199690E-05    0.214897E+03  0.929233E-08 0.100000E-04    0.973622E+00
  45    0.708787E-06    0.213250E+03 -0.332374E-08 0.100000E-04    0.983478E+00
  46    0.109120E-05    0.207695E+03 -0.525384E-08 0.100000E-04    0.985392E+00
  47   -0.763542E-06    0.202983E+03  0.376161E-08 0.100000E-04    0.970456E+00
  48   -0.124236E-05    0.195402E+03  0.635797E-08 0.100000E-04    0.937067E+00
  49    0.982808E-06    0.194856E+03 -0.504377E-08 0.100000E-04    0.954194E+00
  50    0.132064E-05    0.191380E+03 -0.690062E-08 0.100000E-04    0.885382E+00
  51    0.232867E-06    0.182987E+03 -0.127259E-08 0.100000E-04    0.869216E+00
  52   -0.618289E-06    0.174386E+03  0.354553E-08 0.100000E-04    0.937838E+00
  53   -0.118570E-06    0.172346E+03  0.687978E-09 0.100000E-04    0.859980E+00
  54   -0.215665E-06    0.168226E+03  0.128199E-08 0.100000E-04    0.946020E+00
  55    0.827659E-06    0.163209E+03 -0.507115E-08 0.100000E-04    0.990459E+00
  56   -0.137653E-05    0.156866E+03  0.877522E-08 0.100000E-04    0.976788E+00
  57   -0.386139E-06    0.154931E+03  0.249232E-08 0.100000E-04    0.826801E+00
  58   -0.915492E-06    0.152248E+03  0.601315E-08 0.100000E-04    0.996267E+00
  59   -0.633563E-06    0.146642E+03  0.432046E-08 0.100000E-04    0.998034E+00
  60    0.213796E-06    0.143332E+03 -0.149161E-08 0.100000E-04    0.686722E+00
  61   -0.974751E-06    0.138113E+03  0.705764E-08 0.100000E-04    0.812510E+00
  62    0.958026E-06    0.135873E+03 -0.705089E-08 0.100000E-04    0.975850E+00
  63    0.213582E-05    0.130282E+03 -0.163939E-07 0.100000E-04    0.925079E+00
  64   -0.160740E-06    0.128848E+03  0.124752E-08 0.100000E-04    0.283684E+00
  65   -0.134655E-05    0.126906E+03  0.106106E-07 0.100000E-04    0.888724E+00
  66    0.690094E-06    0.124031E+03 -0.556388E-08 0.100000E-04    0.888604E+00
  67   -0.189353E-05    0.120018E+03  0.157770E-07 0.100000E-04    0.966430E+00
  68   -0.459468E-06    0.118173E+03  0.388811E-08 0.100000E-04    0.937628E+00
  69   -0.578262E-07    0.116821E+03  0.494997E-09 0.100000E-04    0.785323E+01
  70    0.136759E-05    0.110372E+03 -0.123907E-07 0.100000E-04    0.951179E+00
  71    0.727425E-06    0.106820E+03 -0.680983E-08 0.100000E-04    0.921650E+00
  72   -0.966902E-06    0.104462E+03  0.925600E-08 0.100000E-04    0.887827E+00
  73    0.160415E-06    0.102858E+03 -0.155958E-08 0.100000E-04    0.712582E+00
  74    0.458190E-07    0.995098E+02 -0.460447E-09 0.100000E-04    0.542719E+00
  75   -0.119789E-06    0.960827E+02  0.124673E-08 0.100000E-04    0.502043E+00
  76    0.192414E-06    0.940947E+02 -0.204490E-08 0.100000E-04    0.865117E+00
  77    0.151378E-05    0.919530E+02 -0.164626E-07 0.100000E-04    0.964550E+00
  78   -0.819448E-06    0.912396E+02  0.898128E-08 0.100000E-04    0.975725E+00
  79   -0.735621E-06    0.883995E+02  0.832155E-08 0.100000E-04    0.988300E+00
  80   -0.555234E-06    0.856206E+02  0.648482E-08 0.100000E-04    0.918981E+00
  81    0.128602E-05    0.808378E+02 -0.159086E-07 0.100000E-04    0.995706E+00
  82   -0.127095E-05    0.805278E+02  0.157828E-07 0.100000E-04    0.938628E+00
  83    0.228530E-06    0.779483E+02 -0.293181E-08 0.100000E-04    0.820811E+00
  84    0.426788E-06    0.732770E+02 -0.582431E-08 0.100000E-04    0.270582E+00
  85   -0.215881E-05    0.725342E+02  0.297627E-07 0.100000E-04    0.891841E+00
  86   -0.580895E-06    0.679060E+02  0.855439E-08 0.100000E-04    0.841424E+00
  87    0.932726E-06    0.647361E+02 -0.144081E-07 0.100000E-04    0.775788E+00
  88   -0.111100E-05    0.613318E+02  0.181145E-07 0.100000E-04    0.963012E+00
  89   -0.207161E-05    0.598272E+02  0.346266E-07 0.100000E-04    0.949931E+00
  90   -0.225907E-05    0.594042E+02  0.380288E-07 0.100000E-04    0.980450E+00
  91    0.287159E-05    0.581346E+02 -0.493956E-07 0.100000E-04    0.930996E+00
  92    0.368007E-05    0.558657E+02 -0.658735E-07 0.100000E-04    0.955323E+00
  93    0.330733E-05    0.524418E+02 -0.630666E-07 0.100000E-04    0.987304E+00
  94   -0.602825E-06    0.520152E+02  0.115894E-07 0.100000E-04    0.863227E+00
  95    0.207251E-05    0.502639E+02 -0.412325E-07 0.100000E-04    0.884443E+00
  96   -0.119171E-05    0.461417E+02  0.258271E-07 0.100000E-04    0.934229E+00
  97   -0.324102E-05    0.433628E+02  0.747420E-07 0.100000E-04    0.888293E+00
  98    0.682591E-06    0.409207E+02 -0.166808E-07 0.100000E-04    0.511358E+00
  99    0.211660E-05    0.378662E+02 -0.558969E-07 0.100000E-04    0.790751E+00
 100    0.163472E-05    0.361945E+02 -0.451648E-07 0.100000E-04    0.894175E+00
 101   -0.110256E-04    0.322537E+02  0.341840E-06 0.100000E-04    0.948028E+00
 102   -0.225634E-06    0.289147E+02  0.780343E-08 0.100000E-04    0.135367E+03
 103    0.258251E-05    0.284550E+02 -0.907577E-07 0.100000E-04    0.964055E+00
 104   -0.118499E-05    0.263100E+02  0.450397E-07 0.100000E-04    0.817155E+00
 105   -0.634982E-05    0.233291E+02  0.272185E-06 0.100000E-04    0.935392E+00
 106    0.522822E-05    0.213363E+02 -0.245039E-06 0.100000E-04    0.969529E+00
 107    0.216124E-04    0.198502E+02 -0.108877E-05 0.100000E-04    0.927960E+00
 108    0.241280E-04    0.164518E+02 -0.146659E-05 0.100000E-04    0.938021E+00
 109   -0.560244E-05    0.139110E+02  0.402735E-06 0.100000E-04    0.958719E+00
 110    0.100578E-04    0.122441E+02 -0.821444E-06 0.100000E-04    0.848460E+00
 111    0.193482E-05    0.100876E+02 -0.191803E-06 0.100000E-04    0.545089E+00
 112   -0.313452E-01    0.912253E+01  0.100000E-04 0.100000E-04    0.599503E+00
 113    0.992588E-01    0.575422E+01 -0.195372E-04 0.195372E-04    0.205363E+00
 114    0.913676E+00    0.315775E+01  0.100000E-04 0.100000E-04    0.829188E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1953715014E-04    0.2684868750    

 Beginning of optimization cycle  645.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991897134
 potential> RMS force:                                               0.0861286821   |gradient|=.9196026783    
 Eigenvalues of the Hessian matrix:
   746.82759    674.00499    630.80373    600.63436    586.34666    578.89731 
   564.75070    487.43969    460.55714    459.75087    441.64189    429.43375 
   421.88035    407.88018    396.31449    387.41171    370.04856    360.57465 
   349.31636    335.32308    329.33840    321.82062    319.15210    309.34798 
   300.79429    290.60345    279.05266    272.75373    268.54744    264.96658 
   263.85994    253.19252    241.58547    240.79008    234.04310    227.53209 
   217.16197    214.89757    213.24929    207.69543    202.98242    195.40122 
   194.85600    191.38061    182.98813    174.38625    172.34637    168.22657 
   163.20899    156.86538    154.93183    152.24820    146.64184    143.33183 
   138.11338    135.87313    130.28131    128.84815    126.90636    124.03005 
   120.01852    118.17277    116.82104    110.37246    106.81978    104.46235 
   102.85830     99.50972     96.08249     94.09452     91.95263     91.23980 
    88.39901     85.62086     80.83785     80.52844     77.94805     73.27680 
    72.53364     67.90577     64.73573     61.33139     59.82700     59.40433 
    58.13459     55.86547     52.44171     52.01485     50.26451     46.14129 
    43.36335     40.92082     37.86617     36.19425     32.25338     28.91502 
    28.45505     26.31023     23.32897     21.33657     19.85006     16.45170 
    13.91105     12.24410     10.08750      9.12397      5.75438      3.15745 
overlap for current and previous eigenvector    109 is         0.9999999898
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999680
overlap for current and previous eigenvector    112 is         0.9999999376
overlap for current and previous eigenvector    113 is         0.9999999412
overlap for current and previous eigenvector    114 is         0.9999999706
J1,K1,R1,R2,RAT=   7   7   -0.1128665344E-01     2.011276633        0.9887133466    
FOB,PFOB,DIAG,PSTEP=   -0.1763578653E-06   -0.1743895807E-06     746.8275906        0.2335083179E-09
J1,K1,R1,R2,RAT=   8   8    0.4876975407E-01     1.951233698        0.9512302459    
FOB,PFOB,DIAG,PSTEP=   -0.3975683482E-06   -0.4179517154E-06     674.0049946        0.6201007369E-09
J1,K1,R1,R2,RAT=   9   9    0.5314710455E-01     1.946843861        0.9468438607    
FOB,PFOB,DIAG,PSTEP=   -0.7017368170E-06   -0.7411256789E-06     630.8037295        0.1174896394E-08
J1,K1,R1,R2,RAT=  10  10    0.6312333163         1.368774243        0.3687666837    
FOB,PFOB,DIAG,PSTEP=   -0.1561321445E-07   -0.4233873105E-07     600.6343593        0.7048975865E-10
J1,K1,R1,R2,RAT=  11  11    0.3121673510         1.687834261        0.6878326490    
FOB,PFOB,DIAG,PSTEP=    0.7598413738E-08    0.1104688905E-07     586.3466606       -0.1884018600E-10
J1,K1,R1,R2,RAT= 109 109    0.4458586020E-01     1.955405709        0.9554057089    
FOB,PFOB,DIAG,PSTEP=   -0.5352647849E-05   -0.5602438439E-05     13.91105228        0.4027345987E-06
J1,K1,R1,R2,RAT= 110 110    0.1564610102         1.843535501        0.8435355013    
FOB,PFOB,DIAG,PSTEP=    0.8484169243E-05    0.1005783027E-04     12.24410472       -0.8214441192E-06
J1,K1,R1,R2,RAT= 111 111    0.3035015408         1.696511875        0.6964984592    
FOB,PFOB,DIAG,PSTEP=    0.1347606210E-05    0.1934824482E-05     10.08749726       -0.1918029273E-06
J1,K1,R1,R2,RAT= 112 112    0.4360257715         686.6597425        0.5639742285    
FOB,PFOB,DIAG,PSTEP=   -0.3130543617E-01   -0.3134521905E-01     9.123973832        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8543348144         1766.646603        0.1456651856    
FOB,PFOB,DIAG,PSTEP=    0.9935486557E-01    0.9925881773E-01     5.754376435       -0.1953715014E-04
J1,K1,R1,R2,RAT= 114 114    0.2267930629        -57874.54762        0.7732069371    
FOB,PFOB,DIAG,PSTEP=    0.9136835695        0.9136764086         3.157450128        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000     -0.00001      0.00001      0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03131      0.09935      0.91368 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3815781806
 Log product of positive Hessian eigenvalues =          519.0746799290
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1574501281
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000060
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000051
 Unscaled step for mode   56=        0.0000000085
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000057
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=       -0.0000000150
 Unscaled step for mode   64=        0.0000000004
 Unscaled step for mode   65=        0.0000000094
 Unscaled step for mode   66=       -0.0000000049
 Unscaled step for mode   67=        0.0000000151
 Unscaled step for mode   68=        0.0000000036
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000117
 Unscaled step for mode   71=       -0.0000000062
 Unscaled step for mode   72=        0.0000000107
 Unscaled step for mode   73=       -0.0000000011
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000027
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=       -0.0000000087
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000059
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000147
 Unscaled step for mode   83=       -0.0000000037
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=        0.0000000264
 Unscaled step for mode   86=        0.0000000071
 Unscaled step for mode   87=       -0.0000000112
 Unscaled step for mode   88=        0.0000000188
 Unscaled step for mode   89=        0.0000000327
 Unscaled step for mode   90=        0.0000000371
 Unscaled step for mode   91=       -0.0000000452
 Unscaled step for mode   92=       -0.0000000623
 Unscaled step for mode   93=       -0.0000000619
 Unscaled step for mode   94=        0.0000000136
 Unscaled step for mode   95=       -0.0000000363
 Unscaled step for mode   96=        0.0000000236
 Unscaled step for mode   97=        0.0000000657
 Unscaled step for mode   98=       -0.0000000104
 Unscaled step for mode   99=       -0.0000000445
 Unscaled step for mode  100=       -0.0000000400
 Unscaled step for mode  101=        0.0000003201
 Unscaled step for mode  102=       -0.0000000017
 Unscaled step for mode  103=       -0.0000000871
 Unscaled step for mode  104=        0.0000000582
 Unscaled step for mode  105=        0.0000002516
 Unscaled step for mode  106=       -0.0000002357
 Unscaled step for mode  107=       -0.0000009979
 Unscaled step for mode  108=       -0.0000013601
 Unscaled step for mode  109=        0.0000003848
 Unscaled step for mode  110=       -0.0000006929
 Unscaled step for mode  111=       -0.0000001336
 Unscaled step for mode  112=        0.0034310782
 Unscaled step for mode  113=       -0.0172608214
 Unscaled step for mode  114=        0.2685106098
 Largest modulus ratio of non-zero e/values=           236.5287052    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.111293E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.185751E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.748099E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.805982E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.622440E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.461865E-14    0.974311E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176358E-06    0.746828E+03  0.236143E-09 0.100000E-04    0.988713E+00
   8   -0.397568E-06    0.674005E+03  0.589860E-09 0.100000E-04    0.951230E+00
   9   -0.701737E-06    0.630804E+03  0.111245E-08 0.100000E-04    0.946844E+00
  10   -0.156132E-07    0.600634E+03  0.259945E-10 0.100000E-04    0.368767E+00
  11    0.759841E-08    0.586347E+03 -0.129589E-10 0.100000E-04    0.687833E+00
  12   -0.100129E-05    0.578897E+03  0.172965E-08 0.100000E-04    0.943703E+00
  13    0.515748E-07    0.564751E+03 -0.913232E-10 0.100000E-04    0.921163E+00
  14    0.416206E-06    0.487440E+03 -0.853861E-09 0.100000E-04    0.933498E+00
  15   -0.420605E-06    0.460557E+03  0.913253E-09 0.100000E-04    0.939451E+00
  16   -0.109128E-06    0.459751E+03  0.237363E-09 0.100000E-04    0.804663E+00
  17   -0.557854E-06    0.441642E+03  0.126314E-08 0.100000E-04    0.907942E+00
  18   -0.396245E-06    0.429434E+03  0.922714E-09 0.100000E-04    0.932655E+00
  19   -0.172389E-06    0.421880E+03  0.408621E-09 0.100000E-04    0.716660E+00
  20   -0.357346E-06    0.407880E+03  0.876105E-09 0.100000E-04    0.923216E+00
  21   -0.406701E-06    0.396314E+03  0.102621E-08 0.100000E-04    0.919765E+00
  22   -0.636841E-06    0.387412E+03  0.164383E-08 0.100000E-04    0.991046E+00
  23    0.771339E-06    0.370049E+03 -0.208443E-08 0.100000E-04    0.923898E+00
  24   -0.427539E-06    0.360575E+03  0.118572E-08 0.100000E-04    0.978702E+00
  25   -0.104300E-06    0.349316E+03  0.298583E-09 0.100000E-04    0.417063E+00
  26   -0.948872E-07    0.335323E+03  0.282973E-09 0.100000E-04    0.547896E+00
  27    0.342181E-06    0.329338E+03 -0.103900E-08 0.100000E-04    0.886553E+00
  28   -0.364033E-06    0.321821E+03  0.113117E-08 0.100000E-04    0.893745E+00
  29   -0.295063E-07    0.319152E+03  0.924522E-10 0.100000E-04    0.288906E+00
  30   -0.133869E-05    0.309348E+03  0.432745E-08 0.100000E-04    0.959522E+00
  31   -0.101897E-05    0.300794E+03  0.338761E-08 0.100000E-04    0.955462E+00
  32   -0.122529E-05    0.290603E+03  0.421638E-08 0.100000E-04    0.968514E+00
  33    0.684454E-08    0.279053E+03 -0.245278E-10 0.109000E-04    0.159780E+00
  34   -0.796981E-07    0.272754E+03  0.292198E-09 0.100000E-04    0.863541E+00
  35    0.101218E-05    0.268547E+03 -0.376910E-08 0.100000E-04    0.968624E+00
  36    0.124342E-05    0.264967E+03 -0.469274E-08 0.100000E-04    0.983234E+00
  37   -0.466669E-06    0.263860E+03  0.176862E-08 0.100000E-04    0.896076E+00
  38   -0.142717E-06    0.253193E+03  0.563670E-09 0.100000E-04    0.975699E+00
  39   -0.428187E-06    0.241585E+03  0.177240E-08 0.100000E-04    0.890755E+00
  40   -0.124656E-05    0.240790E+03  0.517695E-08 0.100000E-04    0.985830E+00
  41   -0.100546E-05    0.234043E+03  0.429605E-08 0.100000E-04    0.991015E+00
  42   -0.166691E-05    0.227532E+03  0.732606E-08 0.100000E-04    0.963038E+00
  43   -0.703967E-08    0.217162E+03  0.324167E-10 0.100000E-04    0.722062E+00
  44   -0.193314E-05    0.214898E+03  0.899561E-08 0.100000E-04    0.968068E+00
  45    0.720340E-06    0.213249E+03 -0.337792E-08 0.100000E-04    0.983701E+00
  46    0.107390E-05    0.207695E+03 -0.517053E-08 0.100000E-04    0.984141E+00
  47   -0.737763E-06    0.202982E+03  0.363461E-08 0.100000E-04    0.966237E+00
  48   -0.114986E-05    0.195401E+03  0.588460E-08 0.100000E-04    0.925544E+00
  49    0.932441E-06    0.194856E+03 -0.478528E-08 0.100000E-04    0.948749E+00
  50    0.115643E-05    0.191381E+03 -0.604254E-08 0.100000E-04    0.875650E+00
  51    0.199957E-06    0.182988E+03 -0.109273E-08 0.100000E-04    0.858666E+00
  52   -0.572978E-06    0.174386E+03  0.328568E-08 0.100000E-04    0.926708E+00
  53   -0.142332E-06    0.172346E+03  0.825846E-09 0.100000E-04    0.799603E+00
  54   -0.229355E-06    0.168227E+03  0.136337E-08 0.100000E-04    0.936520E+00
  55    0.832024E-06    0.163209E+03 -0.509790E-08 0.100000E-04    0.994726E+00
  56   -0.133864E-05    0.156865E+03  0.853372E-08 0.100000E-04    0.972477E+00
  57   -0.320695E-06    0.154932E+03  0.206991E-08 0.100000E-04    0.830512E+00
  58   -0.915825E-06    0.152248E+03  0.601534E-08 0.100000E-04    0.999636E+00
  59   -0.632518E-06    0.146642E+03  0.431335E-08 0.100000E-04    0.998351E+00
  60    0.155211E-06    0.143332E+03 -0.108288E-08 0.100000E-04    0.725975E+00
  61   -0.791895E-06    0.138113E+03  0.573366E-08 0.100000E-04    0.812400E+00
  62    0.928268E-06    0.135873E+03 -0.683187E-08 0.100000E-04    0.968938E+00
  63    0.195409E-05    0.130281E+03 -0.149990E-07 0.100000E-04    0.914914E+00
  64   -0.510065E-07    0.128848E+03  0.395865E-09 0.100000E-04    0.317320E+00
  65   -0.118790E-05    0.126906E+03  0.936045E-08 0.100000E-04    0.882180E+00
  66    0.610150E-06    0.124030E+03 -0.491937E-08 0.100000E-04    0.884154E+00
  67   -0.181735E-05    0.120019E+03  0.151423E-07 0.100000E-04    0.959769E+00
  68   -0.427104E-06    0.118173E+03  0.361424E-08 0.100000E-04    0.929561E+00
  69   -0.543094E-09    0.116821E+03  0.464894E-11 0.109000E-04    0.938851E-02
  70    0.129024E-05    0.110372E+03 -0.116899E-07 0.100000E-04    0.943438E+00
  71    0.664522E-06    0.106820E+03 -0.622096E-08 0.100000E-04    0.913525E+00
  72   -0.111262E-05    0.104462E+03  0.106509E-07 0.100000E-04    0.849296E+00
  73    0.117260E-06    0.102858E+03 -0.114001E-08 0.100000E-04    0.730974E+00
  74    0.890573E-07    0.995097E+02 -0.894961E-09 0.109000E-04    0.563237E-01
  75   -0.257622E-06    0.960825E+02  0.268126E-08 0.109000E-04    0.150635E+00
  76    0.163493E-06    0.940945E+02 -0.173753E-08 0.100000E-04    0.849691E+00
  77   -0.157648E-05    0.919526E+02  0.171445E-07 0.100000E-04    0.958581E+00
  78    0.791869E-06    0.912398E+02 -0.867899E-08 0.100000E-04    0.966340E+00
  79   -0.722006E-06    0.883990E+02  0.816758E-08 0.100000E-04    0.981491E+00
  80   -0.507198E-06    0.856209E+02  0.592377E-08 0.100000E-04    0.913479E+00
  81    0.127558E-05    0.808379E+02 -0.157795E-07 0.100000E-04    0.991886E+00
  82   -0.118189E-05    0.805284E+02  0.146767E-07 0.100000E-04    0.929911E+00
  83    0.286962E-06    0.779481E+02 -0.368145E-08 0.100000E-04    0.744310E+00
  84    0.212302E-06    0.732768E+02 -0.289726E-08 0.100000E-04    0.497439E+00
  85   -0.191382E-05    0.725336E+02  0.263853E-07 0.100000E-04    0.886516E+00
  86   -0.484171E-06    0.679058E+02  0.713005E-08 0.100000E-04    0.833492E+00
  87    0.723692E-06    0.647357E+02 -0.111792E-07 0.100000E-04    0.775888E+00
  88   -0.115362E-05    0.613314E+02  0.188097E-07 0.100000E-04    0.961632E+00
  89   -0.195572E-05    0.598270E+02  0.326896E-07 0.100000E-04    0.944056E+00
  90   -0.220177E-05    0.594043E+02  0.370642E-07 0.100000E-04    0.974632E+00
  91    0.262507E-05    0.581346E+02 -0.451551E-07 0.100000E-04    0.914151E+00
  92    0.347961E-05    0.558655E+02 -0.622855E-07 0.100000E-04    0.945528E+00
  93    0.324370E-05    0.524417E+02 -0.618535E-07 0.100000E-04    0.980762E+00
  94   -0.708104E-06    0.520149E+02  0.136135E-07 0.100000E-04    0.825355E+00
  95    0.182655E-05    0.502645E+02 -0.363388E-07 0.100000E-04    0.881303E+00
  96   -0.108886E-05    0.461413E+02  0.235985E-07 0.100000E-04    0.913700E+00
  97   -0.284892E-05    0.433633E+02  0.656987E-07 0.100000E-04    0.878994E+00
  98    0.427463E-06    0.409208E+02 -0.104461E-07 0.100000E-04    0.626231E+00
  99    0.168554E-05    0.378662E+02 -0.445130E-07 0.100000E-04    0.796340E+00
 100    0.144727E-05    0.361943E+02 -0.399863E-07 0.100000E-04    0.885334E+00
 101   -0.103233E-04    0.322534E+02  0.320069E-06 0.100000E-04    0.936302E+00
 102    0.503922E-07    0.289150E+02 -0.174277E-08 0.100000E-04    0.223323E+00
 103    0.247773E-05    0.284551E+02 -0.870750E-07 0.100000E-04    0.959421E+00
 104   -0.153053E-05    0.263102E+02  0.581723E-07 0.100000E-04    0.708412E+00
 105   -0.587052E-05    0.233290E+02  0.251641E-06 0.100000E-04    0.924518E+00
 106    0.502988E-05    0.213366E+02 -0.235740E-06 0.100000E-04    0.962039E+00
 107    0.198082E-04    0.198501E+02 -0.997891E-06 0.100000E-04    0.916521E+00
 108    0.223767E-04    0.164517E+02 -0.136015E-05 0.100000E-04    0.927417E+00
 109   -0.535265E-05    0.139111E+02  0.384777E-06 0.100000E-04    0.955406E+00
 110    0.848417E-05    0.122441E+02 -0.692919E-06 0.100000E-04    0.843536E+00
 111    0.134761E-05    0.100875E+02 -0.133592E-06 0.100000E-04    0.696498E+00
 112   -0.313054E-01    0.912397E+01  0.100000E-04 0.100000E-04    0.563974E+00
 113    0.993549E-01    0.575438E+01 -0.212955E-04 0.212955E-04    0.145665E+00
 114    0.913684E+00    0.315745E+01  0.100000E-04 0.100000E-04    0.773207E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2129549366E-04    0.2685106098    

 Beginning of optimization cycle  646.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991830035
 potential> RMS force:                                               0.0861300895   |gradient|=.9196177056    
 Eigenvalues of the Hessian matrix:
   746.83141    674.00363    630.80667    600.63211    586.34613    578.89747 
   564.74664    487.43931    460.55584    459.75033    441.64132    429.43506 
   421.87971    407.87855    396.31391    387.41028    370.04904    360.57482 
   349.31566    335.32372    329.33927    321.82035    319.15278    309.34683 
   300.79372    290.60352    279.05414    272.75419    268.54771    264.96690 
   263.86056    253.19193    241.58581    240.79045    234.04389    227.53241 
   217.16272    214.89771    213.24901    207.69593    202.98201    195.40041 
   194.85637    191.38107    182.98887    174.38699    172.34661    168.22685 
   163.20867    156.86516    154.93234    152.24802    146.64125    143.33143 
   138.11390    135.87313    130.28105    128.84836    126.90656    124.02892 
   120.01870    118.17289    116.82061    110.37271    106.81962    104.46257 
   102.85838     99.50965     96.08229     94.09429     91.95223     91.24002 
    88.39850     85.62116     80.83794     80.52912     77.94783     73.27658 
    72.53306     67.90546     64.73528     61.33095     59.82674     59.40443 
    58.13454     55.86524     52.44160     52.01447     50.26510     46.14086 
    43.36392     40.92093     37.86612     36.19389     32.25300     28.91535 
    28.45511     26.31051     23.32888     21.33680     19.84997     16.45159 
    13.91111     12.24413     10.08743      9.12550      5.75455      3.15714 
overlap for current and previous eigenvector    109 is         0.9999999885
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999625
overlap for current and previous eigenvector    112 is         0.9999999289
overlap for current and previous eigenvector    113 is         0.9999999350
overlap for current and previous eigenvector    114 is         0.9999999672
J1,K1,R1,R2,RAT=   7   7    0.4104200601E-02     1.995885566        0.9958855656    
FOB,PFOB,DIAG,PSTEP=   -0.1756340535E-06   -0.1763578653E-06     746.8314120        0.2361426754E-09
J1,K1,R1,R2,RAT=   8   8   -0.4203311982E-01     2.042037163        0.9579668802    
FOB,PFOB,DIAG,PSTEP=   -0.4142793524E-06   -0.3975683482E-06     674.0036322        0.5898596470E-09
J1,K1,R1,R2,RAT=   9   9   -0.4538088725E-01     2.045371574        0.9546191128    
FOB,PFOB,DIAG,PSTEP=   -0.7335824047E-06   -0.7017368170E-06     630.8066669        0.1112448745E-08
J1,K1,R1,R2,RAT=  10  10    -1.452942057         3.452949540        0.4529420566    
FOB,PFOB,DIAG,PSTEP=   -0.3829822549E-07   -0.1561321445E-07     600.6321118        0.2599454096E-10
J1,K1,R1,R2,RAT=  11  11   -0.2438293745         2.243831199        0.7561706255    
FOB,PFOB,DIAG,PSTEP=    0.9451128518E-08    0.7598413738E-08     586.3461258       -0.1295891023E-10
J1,K1,R1,R2,RAT= 109 109   -0.4058229134E-01     2.040573688        0.9594177087    
FOB,PFOB,DIAG,PSTEP=   -0.5569871498E-05   -0.5352647849E-05     13.91111212        0.3847766324E-06
J1,K1,R1,R2,RAT= 110 110   -0.1532312017         2.153227679        0.8467687983    
FOB,PFOB,DIAG,PSTEP=    0.9784210981E-05    0.8484169243E-05     12.24412629       -0.6929187096E-06
J1,K1,R1,R2,RAT= 111 111   -0.4430340994         2.443046963        0.5569659006    
FOB,PFOB,DIAG,PSTEP=    0.1944637873E-05    0.1347606210E-05     10.08743238       -0.1335917299E-06
J1,K1,R1,R2,RAT= 112 112    0.4073588353         685.7017085        0.5926411647    
FOB,PFOB,DIAG,PSTEP=   -0.3126826265E-01   -0.3130543617E-01     9.125498456        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7994361000         1622.310506        0.2005639000    
FOB,PFOB,DIAG,PSTEP=    0.9945283328E-01    0.9935486557E-01     5.754551829       -0.2129549366E-04
J1,K1,R1,R2,RAT= 114 114    0.1817840804        -57880.60112        0.8182159196    
FOB,PFOB,DIAG,PSTEP=    0.9136893086        0.9136835695         3.157142190        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00001      0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03127      0.09945      0.91369 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3815572640
 Log product of positive Hessian eigenvalues =          519.0747513509
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1571421905
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=        0.0000000068
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000161
 Unscaled step for mode   64=        0.0000000011
 Unscaled step for mode   65=        0.0000000104
 Unscaled step for mode   66=       -0.0000000055
 Unscaled step for mode   67=        0.0000000156
 Unscaled step for mode   68=        0.0000000038
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=       -0.0000000067
 Unscaled step for mode   72=        0.0000000095
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000015
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=        0.0000000089
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000156
 Unscaled step for mode   83=       -0.0000000031
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=        0.0000000292
 Unscaled step for mode   86=        0.0000000083
 Unscaled step for mode   87=       -0.0000000138
 Unscaled step for mode   88=        0.0000000181
 Unscaled step for mode   89=        0.0000000343
 Unscaled step for mode   90=        0.0000000378
 Unscaled step for mode   91=       -0.0000000483
 Unscaled step for mode   92=       -0.0000000651
 Unscaled step for mode   93=       -0.0000000626
 Unscaled step for mode   94=        0.0000000118
 Unscaled step for mode   95=       -0.0000000405
 Unscaled step for mode   96=        0.0000000252
 Unscaled step for mode   97=        0.0000000731
 Unscaled step for mode   98=       -0.0000000158
 Unscaled step for mode   99=       -0.0000000540
 Unscaled step for mode  100=       -0.0000000442
 Unscaled step for mode  101=        0.0000003367
 Unscaled step for mode  102=        0.0000000059
 Unscaled step for mode  103=       -0.0000000902
 Unscaled step for mode  104=        0.0000000482
 Unscaled step for mode  105=        0.0000002679
 Unscaled step for mode  106=       -0.0000002428
 Unscaled step for mode  107=       -0.0000010698
 Unscaled step for mode  108=       -0.0000014442
 Unscaled step for mode  109=        0.0000004004
 Unscaled step for mode  110=       -0.0000007991
 Unscaled step for mode  111=       -0.0000001928
 Unscaled step for mode  112=        0.0034264315
 Unscaled step for mode  113=       -0.0172773048
 Unscaled step for mode  114=        0.2685347364
 Largest modulus ratio of non-zero e/values=           236.5529859    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.829415E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.163346E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.250451E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.217614E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.835784E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.337869E-14    0.974312E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175634E-06    0.746831E+03  0.235172E-09 0.100000E-04    0.995886E+00
   8   -0.414279E-06    0.674004E+03  0.614654E-09 0.100000E-04    0.957967E+00
   9   -0.733582E-06    0.630807E+03  0.116293E-08 0.100000E-04    0.954619E+00
  10   -0.382982E-07    0.600632E+03  0.637632E-10 0.100000E-04    0.452942E+00
  11    0.945113E-08    0.586346E+03 -0.161187E-10 0.100000E-04    0.756171E+00
  12   -0.105054E-05    0.578897E+03  0.181473E-08 0.100000E-04    0.950810E+00
  13    0.482145E-07    0.564747E+03 -0.853737E-10 0.100000E-04    0.934846E+00
  14    0.441443E-06    0.487439E+03 -0.905638E-09 0.100000E-04    0.939362E+00
  15   -0.442584E-06    0.460556E+03  0.960978E-09 0.100000E-04    0.947745E+00
  16   -0.130938E-06    0.459750E+03  0.284802E-09 0.100000E-04    0.800144E+00
  17   -0.605160E-06    0.441641E+03  0.137025E-08 0.100000E-04    0.915200E+00
  18   -0.419199E-06    0.429435E+03  0.976164E-09 0.100000E-04    0.942071E+00
  19   -0.140455E-06    0.421880E+03  0.332926E-09 0.100000E-04    0.814755E+00
  20   -0.381610E-06    0.407879E+03  0.935597E-09 0.100000E-04    0.932098E+00
  21   -0.435916E-06    0.396314E+03  0.109993E-08 0.100000E-04    0.928165E+00
  22   -0.640051E-06    0.387410E+03  0.165213E-08 0.100000E-04    0.994959E+00
  23    0.823896E-06    0.370049E+03 -0.222645E-08 0.100000E-04    0.931864E+00
  24   -0.434752E-06    0.360575E+03  0.120572E-08 0.100000E-04    0.983129E+00
  25   -0.715904E-07    0.349316E+03  0.204945E-09 0.100000E-04    0.686390E+00
  26   -0.485613E-07    0.335324E+03  0.144819E-09 0.100000E-04    0.511776E+00
  27    0.377172E-06    0.329339E+03 -0.114524E-08 0.100000E-04    0.897741E+00
  28   -0.398391E-06    0.321820E+03  0.123793E-08 0.100000E-04    0.905620E+00
  29   -0.859275E-07    0.319153E+03  0.269236E-09 0.100000E-04    0.912171E+00
  30   -0.137955E-05    0.309347E+03  0.445954E-08 0.100000E-04    0.969479E+00
  31   -0.105708E-05    0.300794E+03  0.351431E-08 0.100000E-04    0.962601E+00
  32   -0.125555E-05    0.290604E+03  0.432050E-08 0.100000E-04    0.975305E+00
  33   -0.336503E-07    0.279054E+03  0.120587E-09 0.100000E-04    0.291635E+01
  34   -0.382561E-07    0.272754E+03  0.140259E-09 0.100000E-04    0.480010E+00
  35    0.103612E-05    0.268548E+03 -0.385822E-08 0.100000E-04    0.976352E+00
  36    0.125919E-05    0.264967E+03 -0.475224E-08 0.100000E-04    0.987321E+00
  37   -0.511792E-06    0.263861E+03  0.193963E-08 0.100000E-04    0.903308E+00
  38   -0.139566E-06    0.253192E+03  0.551224E-09 0.100000E-04    0.977918E+00
  39   -0.395579E-06    0.241586E+03  0.163743E-08 0.100000E-04    0.923844E+00
  40   -0.125934E-05    0.240790E+03  0.523001E-08 0.100000E-04    0.989751E+00
  41   -0.998392E-06    0.234044E+03  0.426583E-08 0.100000E-04    0.992962E+00
  42   -0.171382E-05    0.227532E+03  0.753219E-08 0.100000E-04    0.971863E+00
  43   -0.788602E-08    0.217163E+03  0.363139E-10 0.100000E-04    0.879776E+00
  44   -0.198342E-05    0.214898E+03  0.922960E-08 0.100000E-04    0.973989E+00
  45    0.708591E-06    0.213249E+03 -0.332283E-08 0.100000E-04    0.983690E+00
  46    0.108927E-05    0.207696E+03 -0.524453E-08 0.100000E-04    0.985685E+00
  47   -0.759237E-06    0.202982E+03  0.374041E-08 0.100000E-04    0.970893E+00
  48   -0.122211E-05    0.195400E+03  0.625441E-08 0.100000E-04    0.937162E+00
  49    0.974737E-06    0.194856E+03 -0.500233E-08 0.100000E-04    0.954640E+00
  50    0.128976E-05    0.191381E+03 -0.673920E-08 0.100000E-04    0.884706E+00
  51    0.226419E-06    0.182989E+03 -0.123734E-08 0.100000E-04    0.867660E+00
  52   -0.608527E-06    0.174387E+03  0.348952E-08 0.100000E-04    0.937958E+00
  53   -0.123385E-06    0.172347E+03  0.715914E-09 0.100000E-04    0.866885E+00
  54   -0.217257E-06    0.168227E+03  0.129145E-08 0.100000E-04    0.947250E+00
  55    0.824085E-06    0.163209E+03 -0.504927E-08 0.100000E-04    0.990458E+00
  56   -0.136924E-05    0.156865E+03  0.872877E-08 0.100000E-04    0.977144E+00
  57   -0.376674E-06    0.154932E+03  0.243121E-08 0.100000E-04    0.825448E+00
  58   -0.912407E-06    0.152248E+03  0.599290E-08 0.100000E-04    0.996268E+00
  59   -0.631225E-06    0.146641E+03  0.430455E-08 0.100000E-04    0.997956E+00
  60    0.205314E-06    0.143331E+03 -0.143244E-08 0.100000E-04    0.677190E+00
  61   -0.943093E-06    0.138114E+03  0.682837E-08 0.100000E-04    0.809068E+00
  62    0.950427E-06    0.135873E+03 -0.699496E-08 0.100000E-04    0.976128E+00
  63    0.210035E-05    0.130281E+03 -0.161217E-07 0.100000E-04    0.925151E+00
  64   -0.139880E-06    0.128848E+03  0.108562E-08 0.100000E-04    0.742398E+00
  65   -0.132029E-05    0.126907E+03  0.104036E-07 0.100000E-04    0.888556E+00
  66    0.678155E-06    0.124029E+03 -0.546772E-08 0.100000E-04    0.888542E+00
  67   -0.187766E-05    0.120019E+03  0.156447E-07 0.100000E-04    0.966816E+00
  68   -0.453564E-06    0.118173E+03  0.383813E-08 0.100000E-04    0.938050E+00
  69   -0.515754E-07    0.116821E+03  0.441493E-09 0.100000E-04    0.929664E+02
  70    0.135268E-05    0.110373E+03 -0.122556E-07 0.100000E-04    0.951608E+00
  71    0.716521E-06    0.106820E+03 -0.670776E-08 0.100000E-04    0.921750E+00
  72   -0.992481E-06    0.104463E+03  0.950083E-08 0.100000E-04    0.892020E+00
  73    0.152351E-06    0.102858E+03 -0.148117E-08 0.100000E-04    0.700736E+00
  74    0.511419E-07    0.995096E+02 -0.513939E-09 0.100000E-04    0.574258E+00
  75   -0.140829E-06    0.960823E+02  0.146571E-08 0.100000E-04    0.546648E+00
  76    0.185830E-06    0.940943E+02 -0.197493E-08 0.100000E-04    0.863373E+00
  77    0.152174E-05    0.919522E+02 -0.165493E-07 0.100000E-04    0.965278E+00
  78   -0.810886E-06    0.912400E+02  0.888740E-08 0.100000E-04    0.975985E+00
  79   -0.730370E-06    0.883985E+02  0.826225E-08 0.100000E-04    0.988414E+00
  80   -0.548153E-06    0.856212E+02  0.640207E-08 0.100000E-04    0.919254E+00
  81    0.128091E-05    0.808379E+02 -0.158454E-07 0.100000E-04    0.995828E+00
  82   -0.125409E-05    0.805291E+02  0.155732E-07 0.100000E-04    0.938910E+00
  83    0.237787E-06    0.779478E+02 -0.305059E-08 0.100000E-04    0.828633E+00
  84    0.389057E-06    0.732766E+02 -0.530943E-08 0.109000E-04    0.167432E+00
  85   -0.212087E-05    0.725331E+02  0.292401E-07 0.100000E-04    0.891811E+00
  86   -0.562206E-06    0.679055E+02  0.827924E-08 0.100000E-04    0.838828E+00
  87    0.891616E-06    0.647353E+02 -0.137733E-07 0.100000E-04    0.767960E+00
  88   -0.111141E-05    0.613309E+02  0.181215E-07 0.100000E-04    0.963404E+00
  89   -0.205249E-05    0.598267E+02  0.343072E-07 0.100000E-04    0.950520E+00
  90   -0.224437E-05    0.594044E+02  0.377812E-07 0.100000E-04    0.980654E+00
  91    0.280688E-05    0.581345E+02 -0.482826E-07 0.100000E-04    0.930740E+00
  92    0.363424E-05    0.558652E+02 -0.650536E-07 0.100000E-04    0.955562E+00
  93    0.328432E-05    0.524416E+02 -0.626281E-07 0.100000E-04    0.987479E+00
  94   -0.614071E-06    0.520145E+02  0.118058E-07 0.100000E-04    0.867203E+00
  95    0.203750E-05    0.502651E+02 -0.405350E-07 0.100000E-04    0.884513E+00
  96   -0.116095E-05    0.461409E+02  0.251610E-07 0.100000E-04    0.933798E+00
  97   -0.316852E-05    0.433639E+02  0.730681E-07 0.100000E-04    0.887817E+00
  98    0.647668E-06    0.409209E+02 -0.158273E-07 0.100000E-04    0.484858E+00
  99    0.204537E-05    0.378661E+02 -0.540159E-07 0.100000E-04    0.786515E+00
 100    0.160088E-05    0.361939E+02 -0.442306E-07 0.100000E-04    0.893866E+00
 101   -0.108581E-04    0.322530E+02  0.336654E-06 0.100000E-04    0.948194E+00
 102   -0.169941E-06    0.289154E+02  0.587718E-08 0.100000E-04    0.137233E+01
 103    0.256564E-05    0.284551E+02 -0.901645E-07 0.100000E-04    0.964517E+00
 104   -0.126907E-05    0.263105E+02  0.482344E-07 0.100000E-04    0.829153E+00
 105   -0.624920E-05    0.233289E+02  0.267874E-06 0.100000E-04    0.935495E+00
 106    0.518097E-05    0.213368E+02 -0.242818E-06 0.100000E-04    0.969961E+00
 107    0.212352E-04    0.198500E+02 -0.106978E-05 0.100000E-04    0.927959E+00
 108    0.237601E-04    0.164516E+02 -0.144424E-05 0.100000E-04    0.938179E+00
 109   -0.556987E-05    0.139111E+02  0.400390E-06 0.100000E-04    0.959418E+00
 110    0.978421E-05    0.122441E+02 -0.799094E-06 0.100000E-04    0.846769E+00
 111    0.194464E-05    0.100874E+02 -0.192778E-06 0.100000E-04    0.556966E+00
 112   -0.312683E-01    0.912550E+01  0.100000E-04 0.100000E-04    0.592641E+00
 113    0.994528E-01    0.575455E+01 -0.191851E-04 0.191851E-04    0.200564E+00
 114    0.913689E+00    0.315714E+01  0.100000E-04 0.100000E-04    0.818216E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1918512942E-04    0.2685347364    

 Beginning of optimization cycle  647.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991760857
 potential> RMS force:                                               0.0861316187   |gradient|=.9196340325    
 Eigenvalues of the Hessian matrix:
   746.83512    674.00249    630.80949    600.62985    586.34567    578.89762 
   564.74286    487.43905    460.55458    459.74981    441.64080    429.43619 
   421.87910    407.87701    396.31337    387.40889    370.04950    360.57496 
   349.31491    335.32431    329.34010    321.82016    319.15331    309.34571 
   300.79310    290.60358    279.05550    272.75462    268.54790    264.96720 
   263.86108    253.19132    241.58605    240.79081    234.04459    227.53266 
   217.16337    214.89785    213.24874    207.69639    202.98162    195.39963 
   194.85669    191.38151    182.98954    174.38767    172.34684    168.22709 
   163.20837    156.86494    154.93283    152.24785    146.64069    143.33107 
   138.11439    135.87312    130.28084    128.84855    126.90677    124.02788 
   120.01888    118.17303    116.82023    110.37294    106.81948    104.46280 
   102.85846     99.50959     96.08211     94.09409     91.95182     91.24021 
    88.39801     85.62144     80.83802     80.52974     77.94763     73.27641 
    72.53254     67.90521     64.73487     61.33050     59.82649     59.40453 
    58.13452     55.86505     52.44152     52.01414     50.26566     46.14047 
    43.36445     40.92104     37.86610     36.19363     32.25264     28.91568 
    28.45517     26.31077     23.32877     21.33706     19.84986     16.45150 
    13.91117     12.24415     10.08737      9.12693      5.75471      3.15685 
overlap for current and previous eigenvector    109 is         0.9999999901
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999685
overlap for current and previous eigenvector    112 is         0.9999999388
overlap for current and previous eigenvector    113 is         0.9999999427
overlap for current and previous eigenvector    114 is         0.9999999715
J1,K1,R1,R2,RAT=   7   7   -0.1111092544E-01     2.011100994        0.9888890746    
FOB,PFOB,DIAG,PSTEP=   -0.1775855201E-06   -0.1756340535E-06     746.8351207        0.2351722902E-09
J1,K1,R1,R2,RAT=   8   8    0.4830778048E-01     1.951695596        0.9516922195    
FOB,PFOB,DIAG,PSTEP=   -0.3942664702E-06   -0.4142793524E-06     674.0024943        0.6146544805E-09
J1,K1,R1,R2,RAT=   9   9    0.5266203024E-01     1.947329019        0.9473290189    
FOB,PFOB,DIAG,PSTEP=   -0.6949502930E-06   -0.7335824047E-06     630.8094900        0.1162927476E-08
J1,K1,R1,R2,RAT=  10  10    0.6862849652         1.313722576        0.3137150348    
FOB,PFOB,DIAG,PSTEP=   -0.1201482824E-07   -0.3829822549E-07     600.6298471        0.6376320003E-10
J1,K1,R1,R2,RAT=  11  11    0.3550043580         1.644997208        0.6449956420    
FOB,PFOB,DIAG,PSTEP=    0.6095939334E-08    0.9451128518E-08     586.3456666       -0.1611868503E-10
J1,K1,R1,R2,RAT= 109 109    0.4386937702E-01     1.956122179        0.9561221794    
FOB,PFOB,DIAG,PSTEP=   -0.5325523674E-05   -0.5569871498E-05     13.91117085        0.4003900947E-06
J1,K1,R1,R2,RAT= 110 110    0.1579843232         1.842012091        0.8420120915    
FOB,PFOB,DIAG,PSTEP=    0.8238456260E-05    0.9784210981E-05     12.24414824       -0.7990942557E-06
J1,K1,R1,R2,RAT= 111 111    0.2985123311         1.701500988        0.7014876689    
FOB,PFOB,DIAG,PSTEP=    0.1364143354E-05    0.1944637873E-05     10.08736521       -0.1927782808E-06
J1,K1,R1,R2,RAT= 112 112    0.4422092409         684.7447222        0.5577907591    
FOB,PFOB,DIAG,PSTEP=   -0.3122790252E-01   -0.3126826265E-01     9.126929080        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8597815379         1802.463143        0.1402184621    
FOB,PFOB,DIAG,PSTEP=    0.9954775730E-01    0.9945283328E-01     5.754707299       -0.1918512942E-04
J1,K1,R1,R2,RAT= 114 114    0.2368248312        -57886.45252        0.7631751688    
FOB,PFOB,DIAG,PSTEP=    0.9136967848        0.9136893086         3.156845883        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000     -0.00000     -0.00001      0.00000      0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03123      0.09955      0.91370 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3815347228
 Log product of positive Hessian eigenvalues =          519.0748173583
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1568458832
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000012
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000000
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000001
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000047
 Unscaled step for mode   50=       -0.0000000059
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000032
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=       -0.0000000051
 Unscaled step for mode   56=        0.0000000085
 Unscaled step for mode   57=        0.0000000020
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000010
 Unscaled step for mode   61=        0.0000000055
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=       -0.0000000148
 Unscaled step for mode   64=        0.0000000002
 Unscaled step for mode   65=        0.0000000092
 Unscaled step for mode   66=       -0.0000000048
 Unscaled step for mode   67=        0.0000000150
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=        0.0000000116
 Unscaled step for mode   71=        0.0000000061
 Unscaled step for mode   72=        0.0000000109
 Unscaled step for mode   73=       -0.0000000011
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000029
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=        0.0000000086
 Unscaled step for mode   79=        0.0000000081
 Unscaled step for mode   80=        0.0000000058
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000145
 Unscaled step for mode   83=       -0.0000000038
 Unscaled step for mode   84=       -0.0000000024
 Unscaled step for mode   85=       -0.0000000259
 Unscaled step for mode   86=       -0.0000000069
 Unscaled step for mode   87=        0.0000000106
 Unscaled step for mode   88=       -0.0000000188
 Unscaled step for mode   89=       -0.0000000324
 Unscaled step for mode   90=       -0.0000000368
 Unscaled step for mode   91=        0.0000000441
 Unscaled step for mode   92=        0.0000000615
 Unscaled step for mode   93=        0.0000000614
 Unscaled step for mode   94=       -0.0000000138
 Unscaled step for mode   95=        0.0000000357
 Unscaled step for mode   96=        0.0000000230
 Unscaled step for mode   97=        0.0000000642
 Unscaled step for mode   98=       -0.0000000097
 Unscaled step for mode   99=       -0.0000000428
 Unscaled step for mode  100=       -0.0000000391
 Unscaled step for mode  101=        0.0000003153
 Unscaled step for mode  102=       -0.0000000035
 Unscaled step for mode  103=       -0.0000000866
 Unscaled step for mode  104=        0.0000000612
 Unscaled step for mode  105=        0.0000002477
 Unscaled step for mode  106=       -0.0000002337
 Unscaled step for mode  107=       -0.0000009805
 Unscaled step for mode  108=       -0.0000013397
 Unscaled step for mode  109=        0.0000003828
 Unscaled step for mode  110=       -0.0000006728
 Unscaled step for mode  111=       -0.0000001352
 Unscaled step for mode  112=        0.0034214725
 Unscaled step for mode  113=       -0.0172933186
 Unscaled step for mode  114=        0.2685584524
 Largest modulus ratio of non-zero e/values=           236.5763640    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.996165E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.125518E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.560316E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.384458E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.616215E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.373531E-14    0.974312E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177586E-06    0.746835E+03  0.237784E-09 0.100000E-04    0.988889E+00
   8   -0.394266E-06    0.674002E+03  0.584963E-09 0.100000E-04    0.951692E+00
   9   -0.694950E-06    0.630809E+03  0.110168E-08 0.100000E-04    0.947329E+00
  10   -0.120148E-07    0.600630E+03  0.200037E-10 0.100000E-04    0.313715E+00
  11    0.609594E-08    0.586346E+03 -0.103965E-10 0.100000E-04    0.644996E+00
  12   -0.991940E-06    0.578898E+03  0.171350E-08 0.100000E-04    0.944215E+00
  13    0.519305E-07    0.564743E+03 -0.919543E-10 0.100000E-04    0.922927E+00
  14    0.412345E-06    0.487439E+03 -0.845943E-09 0.100000E-04    0.934085E+00
  15   -0.415968E-06    0.460555E+03  0.903190E-09 0.100000E-04    0.939863E+00
  16   -0.104910E-06    0.459750E+03  0.228189E-09 0.100000E-04    0.801218E+00
  17   -0.549612E-06    0.441641E+03  0.124448E-08 0.100000E-04    0.908209E+00
  18   -0.391117E-06    0.429436E+03  0.910768E-09 0.100000E-04    0.933005E+00
  19   -0.177891E-06    0.421879E+03  0.421663E-09 0.100000E-04    0.733465E+00
  20   -0.352448E-06    0.407877E+03  0.864104E-09 0.100000E-04    0.923582E+00
  21   -0.401075E-06    0.396313E+03  0.101202E-08 0.100000E-04    0.920074E+00
  22   -0.634459E-06    0.387409E+03  0.163770E-08 0.100000E-04    0.991264E+00
  23    0.761539E-06    0.370049E+03 -0.205794E-08 0.100000E-04    0.924312E+00
  24   -0.425667E-06    0.360575E+03  0.118052E-08 0.100000E-04    0.979101E+00
  25   -0.109354E-06    0.349315E+03  0.313052E-09 0.100000E-04    0.472507E+00
  26   -0.105270E-06    0.335324E+03  0.313935E-09 0.109000E-04    0.167774E+00
  27    0.334169E-06    0.329340E+03 -0.101466E-08 0.100000E-04    0.885979E+00
  28   -0.355873E-06    0.321820E+03  0.110581E-08 0.100000E-04    0.893276E+00
  29   -0.145044E-07    0.319153E+03  0.454465E-10 0.109000E-04    0.168796E+00
  30   -0.132412E-05    0.309346E+03  0.428038E-08 0.100000E-04    0.959821E+00
  31   -0.101049E-05    0.300793E+03  0.335941E-08 0.100000E-04    0.955921E+00
  32   -0.121649E-05    0.290604E+03  0.418609E-08 0.100000E-04    0.968890E+00
  33    0.152219E-07    0.279056E+03 -0.545481E-10 0.100000E-04    0.452350E+00
  34   -0.892926E-07    0.272755E+03  0.327373E-09 0.100000E-04    0.334071E+00
  35    0.100398E-05    0.268548E+03 -0.373854E-08 0.100000E-04    0.968980E+00
  36    0.123849E-05    0.264967E+03 -0.467414E-08 0.100000E-04    0.983565E+00
  37   -0.458640E-06    0.263861E+03  0.173819E-08 0.100000E-04    0.896141E+00
  38   -0.142932E-06    0.253191E+03  0.564522E-09 0.100000E-04    0.975879E+00
  39   -0.437061E-06    0.241586E+03  0.180913E-08 0.100000E-04    0.895136E+00
  40   -0.124182E-05    0.240791E+03  0.515726E-08 0.100000E-04    0.986088E+00
  41   -0.100730E-05    0.234045E+03  0.430388E-08 0.100000E-04    0.991078E+00
  42   -0.165109E-05    0.227533E+03  0.725650E-08 0.100000E-04    0.963398E+00
  43   -0.525527E-08    0.217163E+03  0.241996E-10 0.100000E-04    0.666398E+00
  44   -0.192096E-05    0.214898E+03  0.893895E-08 0.100000E-04    0.968509E+00
  45    0.720003E-06    0.213249E+03 -0.337635E-08 0.100000E-04    0.983894E+00
  46    0.107236E-05    0.207696E+03 -0.516312E-08 0.100000E-04    0.984474E+00
  47   -0.733983E-06    0.202982E+03  0.361601E-08 0.100000E-04    0.966739E+00
  48   -0.113124E-05    0.195400E+03  0.578936E-08 0.100000E-04    0.925641E+00
  49    0.925244E-06    0.194857E+03 -0.474833E-08 0.100000E-04    0.949221E+00
  50    0.112854E-05    0.191382E+03 -0.589682E-08 0.100000E-04    0.875001E+00
  51    0.194079E-06    0.182990E+03 -0.106060E-08 0.100000E-04    0.857162E+00
  52   -0.564014E-06    0.174388E+03  0.323425E-08 0.100000E-04    0.926844E+00
  53   -0.146699E-06    0.172347E+03  0.851184E-09 0.100000E-04    0.811052E+00
  54   -0.230725E-06    0.168227E+03  0.137151E-08 0.100000E-04    0.938010E+00
  55    0.828507E-06    0.163208E+03 -0.507637E-08 0.100000E-04    0.994634E+00
  56   -0.133213E-05    0.156865E+03  0.849223E-08 0.100000E-04    0.972900E+00
  57   -0.312406E-06    0.154933E+03  0.201640E-08 0.100000E-04    0.829375E+00
  58   -0.912800E-06    0.152248E+03  0.599549E-08 0.100000E-04    0.999569E+00
  59   -0.630290E-06    0.146641E+03  0.429819E-08 0.100000E-04    0.998519E+00
  60    0.147748E-06    0.143331E+03 -0.103082E-08 0.100000E-04    0.719619E+00
  61   -0.763461E-06    0.138114E+03  0.552774E-08 0.100000E-04    0.809522E+00
  62    0.921224E-06    0.135873E+03 -0.678003E-08 0.100000E-04    0.969274E+00
  63    0.192181E-05    0.130281E+03 -0.147513E-07 0.100000E-04    0.914992E+00
  64   -0.319147E-07    0.128849E+03  0.247691E-09 0.100000E-04    0.228155E+00
  65   -0.116454E-05    0.126907E+03  0.917635E-08 0.100000E-04    0.882034E+00
  66    0.599559E-06    0.124028E+03 -0.483406E-08 0.100000E-04    0.884101E+00
  67   -0.180299E-05    0.120019E+03  0.150226E-07 0.100000E-04    0.960229E+00
  68    0.421818E-06    0.118173E+03 -0.356950E-08 0.100000E-04    0.930007E+00
  69    0.468947E-08    0.116820E+03 -0.401426E-10 0.109000E-04    0.909215E-01
  70   -0.127683E-05    0.110373E+03  0.115683E-07 0.100000E-04    0.943921E+00
  71   -0.654601E-06    0.106819E+03  0.612810E-08 0.100000E-04    0.913583E+00
  72   -0.113583E-05    0.104463E+03  0.108730E-07 0.100000E-04    0.855568E+00
  73    0.110050E-06    0.102858E+03 -0.106992E-08 0.100000E-04    0.722345E+00
  74    0.935851E-07    0.995096E+02 -0.940463E-09 0.109000E-04    0.170088E+00
  75   -0.276356E-06    0.960821E+02  0.287624E-08 0.109000E-04    0.376501E-01
  76    0.157586E-06    0.940941E+02 -0.167477E-08 0.100000E-04    0.848013E+00
  77   -0.158348E-05    0.919518E+02  0.172207E-07 0.100000E-04    0.959431E+00
  78   -0.783846E-06    0.912402E+02  0.859102E-08 0.100000E-04    0.966649E+00
  79   -0.716968E-06    0.883980E+02  0.811068E-08 0.100000E-04    0.981649E+00
  80   -0.500863E-06    0.856214E+02  0.584974E-08 0.100000E-04    0.913723E+00
  81    0.127077E-05    0.808380E+02 -0.157200E-07 0.100000E-04    0.992085E+00
  82   -0.116661E-05    0.805297E+02  0.144868E-07 0.100000E-04    0.930230E+00
  83    0.295415E-06    0.779476E+02 -0.378992E-08 0.100000E-04    0.757646E+00
  84    0.178439E-06    0.732764E+02 -0.243514E-08 0.100000E-04    0.458643E+00
  85    0.188011E-05    0.725325E+02 -0.259210E-07 0.100000E-04    0.886480E+00
  86    0.467270E-06    0.679052E+02 -0.688121E-08 0.100000E-04    0.831136E+00
  87   -0.686092E-06    0.647349E+02  0.105985E-07 0.100000E-04    0.769491E+00
  88    0.115366E-05    0.613305E+02 -0.188106E-07 0.100000E-04    0.961980E+00
  89    0.193901E-05    0.598265E+02 -0.324106E-07 0.100000E-04    0.944712E+00
  90    0.218803E-05    0.594045E+02 -0.368328E-07 0.100000E-04    0.974896E+00
  91   -0.256509E-05    0.581345E+02  0.441233E-07 0.100000E-04    0.913855E+00
  92   -0.343727E-05    0.558651E+02  0.615281E-07 0.100000E-04    0.945803E+00
  93   -0.322198E-05    0.524415E+02  0.614394E-07 0.100000E-04    0.981019E+00
  94    0.717746E-06    0.520141E+02 -0.137991E-07 0.100000E-04    0.831166E+00
  95   -0.179590E-05    0.502657E+02  0.357281E-07 0.100000E-04    0.881402E+00
  96   -0.106010E-05    0.461405E+02  0.229756E-07 0.100000E-04    0.913135E+00
  97   -0.278375E-05    0.433645E+02  0.641942E-07 0.100000E-04    0.878541E+00
  98    0.396865E-06    0.409210E+02 -0.969832E-08 0.100000E-04    0.612756E+00
  99    0.162178E-05    0.378661E+02 -0.428293E-07 0.100000E-04    0.792902E+00
 100    0.141679E-05    0.361936E+02 -0.391448E-07 0.100000E-04    0.885011E+00
 101   -0.101686E-04    0.322526E+02  0.315279E-06 0.100000E-04    0.936494E+00
 102    0.101599E-06    0.289157E+02 -0.351364E-08 0.100000E-04    0.597834E+00
 103    0.246289E-05    0.284552E+02 -0.865532E-07 0.100000E-04    0.959945E+00
 104   -0.160986E-05    0.263108E+02  0.611865E-07 0.100000E-04    0.731466E+00
 105   -0.577821E-05    0.233288E+02  0.247686E-06 0.100000E-04    0.924632E+00
 106    0.498712E-05    0.213371E+02 -0.233730E-06 0.100000E-04    0.962561E+00
 107    0.194626E-04    0.198499E+02 -0.980491E-06 0.100000E-04    0.916527E+00
 108    0.220396E-04    0.164515E+02 -0.133967E-05 0.100000E-04    0.927590E+00
 109   -0.532552E-05    0.139112E+02  0.382824E-06 0.100000E-04    0.956122E+00
 110    0.823846E-05    0.122441E+02 -0.672848E-06 0.100000E-04    0.842012E+00
 111    0.136414E-05    0.100874E+02 -0.135233E-06 0.100000E-04    0.701488E+00
 112   -0.312279E-01    0.912693E+01  0.100000E-04 0.100000E-04    0.557791E+00
 113    0.995478E-01    0.575471E+01 -0.209118E-04 0.209118E-04    0.140218E+00
 114    0.913697E+00    0.315685E+01  0.100000E-04 0.100000E-04    0.763175E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2091179107E-04    0.2685584524    

 Beginning of optimization cycle  648.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991693409
 potential> RMS force:                                               0.0861330461   |gradient|=.9196492730    
 Eigenvalues of the Hessian matrix:
   746.83891    674.00116    630.81240    600.62760    586.34515    578.89777 
   564.73885    487.43869    460.55328    459.74928    441.64024    429.43747 
   421.87846    407.87540    396.31280    387.40746    370.04997    360.57513 
   349.31420    335.32494    329.34097    321.81991    319.15397    309.34457 
   300.79253    290.60365    279.05697    272.75508    268.54816    264.96752 
   263.86169    253.19073    241.58638    240.79117    234.04537    227.53297 
   217.16410    214.89800    213.24846    207.69688    202.98122    195.39883 
   194.85705    191.38196    182.99026    174.38840    172.34708    168.22736 
   163.20805    156.86473    154.93333    152.24767    146.64011    143.33067 
   138.11490    135.87312    130.28059    128.84876    126.90697    124.02677 
   120.01906    118.17316    116.81980    110.37318    106.81932    104.46302 
   102.85854     99.50952     96.08192     94.09386     91.95142     91.24042 
    88.39750     85.62174     80.83810     80.53041     77.94741     73.27620 
    72.53198     67.90491     64.73443     61.33007     59.82624     59.40463 
    58.13448     55.86483     52.44141     52.01377     50.26624     46.14005 
    43.36502     40.92116     37.86606     36.19329     32.25226     28.91600 
    28.45523     26.31105     23.32868     21.33730     19.84977     16.45140 
    13.91123     12.24417     10.08730      9.12844      5.75488      3.15654 
overlap for current and previous eigenvector    109 is         0.9999999888
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999631
overlap for current and previous eigenvector    112 is         0.9999999304
overlap for current and previous eigenvector    113 is         0.9999999367
overlap for current and previous eigenvector    114 is         0.9999999681
J1,K1,R1,R2,RAT=   7   7    0.4076376978E-02     1.995913482        0.9959134818    
FOB,PFOB,DIAG,PSTEP=   -0.1768616109E-06   -0.1775855201E-06     746.8389077        0.2377841041E-09
J1,K1,R1,R2,RAT=   8   8   -0.4163032855E-01     2.041634285        0.9583696714    
FOB,PFOB,DIAG,PSTEP=   -0.4106798804E-06   -0.3942664702E-06     674.0011610        0.5849629245E-09
J1,K1,R1,R2,RAT=   9   9   -0.4495170815E-01     2.044942485        0.9550482919    
FOB,PFOB,DIAG,PSTEP=   -0.7261896398E-06   -0.6949502930E-06     630.8123991        0.1101680149E-08
J1,K1,R1,R2,RAT=  10  10    -1.856378493         3.856385959        0.8563784931    
FOB,PFOB,DIAG,PSTEP=   -0.3431881373E-07   -0.1201482824E-07     600.6276048        0.2000371494E-10
J1,K1,R1,R2,RAT=  11  11   -0.2939250807         2.293926855        0.7060749193    
FOB,PFOB,DIAG,PSTEP=    0.7887687204E-08    0.6095939334E-08     586.3451464       -0.1039649422E-10
J1,K1,R1,R2,RAT= 109 109   -0.3989052436E-01     2.039881912        0.9601094756    
FOB,PFOB,DIAG,PSTEP=   -0.5537962520E-05   -0.5325523674E-05     13.91123076        0.3828235403E-06
J1,K1,R1,R2,RAT= 110 110   -0.1549928524         2.154989231        0.8450071476    
FOB,PFOB,DIAG,PSTEP=    0.9515360407E-05    0.8238456260E-05     12.24417040       -0.6728484580E-06
J1,K1,R1,R2,RAT= 111 111   -0.4318578418         2.431870613        0.5681421582    
FOB,PFOB,DIAG,PSTEP=    0.1953255597E-05    0.1364143354E-05     10.08730080       -0.1352328706E-06
J1,K1,R1,R2,RAT= 112 112    0.4140895083         683.7753523        0.5859104917    
FOB,PFOB,DIAG,PSTEP=   -0.3119010262E-01   -0.3122790252E-01     9.128437423        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8043644286         1655.179805        0.1956355714    
FOB,PFOB,DIAG,PSTEP=    0.9964455839E-01    0.9954775730E-01     5.754878651       -0.2091179107E-04
J1,K1,R1,R2,RAT= 114 114    0.1925834324        -57892.49970        0.8074165676    
FOB,PFOB,DIAG,PSTEP=    0.9137028638        0.9136967848         3.156539549        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00001      0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03119      0.09964      0.91370 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3815135647
 Log product of positive Hessian eigenvalues =          519.0748878716
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1565395487
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=        0.0000000066
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=       -0.0000000159
 Unscaled step for mode   64=        0.0000000009
 Unscaled step for mode   65=        0.0000000102
 Unscaled step for mode   66=       -0.0000000054
 Unscaled step for mode   67=        0.0000000155
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=        0.0000000121
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=        0.0000000097
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=        0.0000000017
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000166
 Unscaled step for mode   78=        0.0000000088
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000154
 Unscaled step for mode   83=       -0.0000000032
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=       -0.0000000287
 Unscaled step for mode   86=       -0.0000000080
 Unscaled step for mode   87=        0.0000000131
 Unscaled step for mode   88=       -0.0000000181
 Unscaled step for mode   89=       -0.0000000340
 Unscaled step for mode   90=       -0.0000000375
 Unscaled step for mode   91=        0.0000000472
 Unscaled step for mode   92=        0.0000000642
 Unscaled step for mode   93=        0.0000000622
 Unscaled step for mode   94=       -0.0000000120
 Unscaled step for mode   95=        0.0000000399
 Unscaled step for mode   96=        0.0000000245
 Unscaled step for mode   97=        0.0000000714
 Unscaled step for mode   98=       -0.0000000150
 Unscaled step for mode   99=       -0.0000000522
 Unscaled step for mode  100=       -0.0000000433
 Unscaled step for mode  101=        0.0000003316
 Unscaled step for mode  102=        0.0000000040
 Unscaled step for mode  103=       -0.0000000896
 Unscaled step for mode  104=        0.0000000514
 Unscaled step for mode  105=        0.0000002636
 Unscaled step for mode  106=       -0.0000002406
 Unscaled step for mode  107=       -0.0000010511
 Unscaled step for mode  108=       -0.0000014223
 Unscaled step for mode  109=        0.0000003981
 Unscaled step for mode  110=       -0.0000007771
 Unscaled step for mode  111=       -0.0000001936
 Unscaled step for mode  112=        0.0034167664
 Unscaled step for mode  113=       -0.0173096096
 Unscaled step for mode  114=        0.2685825547
 Largest modulus ratio of non-zero e/values=           236.6005229    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.100375E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.163584E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.118085E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.763278E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.283925E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.393088E-14    0.974312E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176862E-06    0.746839E+03  0.236814E-09 0.100000E-04    0.995913E+00
   8   -0.410680E-06    0.674001E+03  0.609316E-09 0.100000E-04    0.958370E+00
   9   -0.726190E-06    0.630812E+03  0.115120E-08 0.100000E-04    0.955048E+00
  10   -0.343188E-07    0.600628E+03  0.571383E-10 0.100000E-04    0.856378E+00
  11    0.788769E-08    0.586345E+03 -0.134523E-10 0.100000E-04    0.706075E+00
  12   -0.104027E-05    0.578898E+03  0.179699E-08 0.100000E-04    0.951275E+00
  13    0.486201E-07    0.564739E+03 -0.860930E-10 0.100000E-04    0.936251E+00
  14    0.437114E-06    0.487439E+03 -0.896757E-09 0.100000E-04    0.939932E+00
  15   -0.437549E-06    0.460553E+03  0.950052E-09 0.100000E-04    0.948118E+00
  16   -0.126336E-06    0.459749E+03  0.274792E-09 0.100000E-04    0.795771E+00
  17   -0.596067E-06    0.441640E+03  0.134967E-08 0.100000E-04    0.915476E+00
  18   -0.413647E-06    0.429437E+03  0.963231E-09 0.100000E-04    0.942394E+00
  19   -0.146487E-06    0.421878E+03  0.347226E-09 0.100000E-04    0.823466E+00
  20   -0.376256E-06    0.407875E+03  0.922478E-09 0.100000E-04    0.932450E+00
  21   -0.429768E-06    0.396313E+03  0.108442E-08 0.100000E-04    0.928461E+00
  22   -0.637568E-06    0.387407E+03  0.164573E-08 0.100000E-04    0.995100E+00
  23    0.813128E-06    0.370050E+03 -0.219735E-08 0.100000E-04    0.932256E+00
  24   -0.432710E-06    0.360575E+03  0.120005E-08 0.100000E-04    0.983455E+00
  25   -0.772015E-07    0.349314E+03  0.221009E-09 0.100000E-04    0.705979E+00
  26   -0.596997E-07    0.335325E+03  0.178035E-09 0.100000E-04    0.567107E+00
  27    0.368531E-06    0.329341E+03 -0.111899E-08 0.100000E-04    0.897172E+00
  28   -0.389620E-06    0.321820E+03  0.121068E-08 0.100000E-04    0.905171E+00
  29   -0.699832E-07    0.319154E+03  0.219277E-09 0.100000E-04    0.282496E+01
  30   -0.136422E-05    0.309345E+03  0.441005E-08 0.100000E-04    0.969710E+00
  31   -0.104788E-05    0.300793E+03  0.348373E-08 0.100000E-04    0.962995E+00
  32   -0.124617E-05    0.290604E+03  0.428821E-08 0.100000E-04    0.975604E+00
  33   -0.246076E-07    0.279057E+03  0.881813E-10 0.100000E-04    0.383415E+00
  34   -0.485244E-07    0.272755E+03  0.177905E-09 0.100000E-04    0.543429E+00
  35    0.102745E-05    0.268548E+03 -0.382593E-08 0.100000E-04    0.976625E+00
  36    0.125389E-05    0.264968E+03 -0.473224E-08 0.100000E-04    0.987569E+00
  37   -0.502959E-06    0.263862E+03  0.190615E-08 0.100000E-04    0.903369E+00
  38   -0.139800E-06    0.253191E+03  0.552152E-09 0.100000E-04    0.978086E+00
  39   -0.404993E-06    0.241586E+03  0.167639E-08 0.100000E-04    0.926625E+00
  40   -0.125431E-05    0.240791E+03  0.520911E-08 0.100000E-04    0.989944E+00
  41   -0.100027E-05    0.234045E+03  0.427385E-08 0.100000E-04    0.993019E+00
  42   -0.169708E-05    0.227533E+03  0.745859E-08 0.100000E-04    0.972149E+00
  43   -0.607002E-08    0.217164E+03  0.279513E-10 0.100000E-04    0.844965E+00
  44   -0.197023E-05    0.214898E+03  0.916821E-08 0.100000E-04    0.974352E+00
  45    0.708413E-06    0.213248E+03 -0.332201E-08 0.100000E-04    0.983902E+00
  46    0.108740E-05    0.207697E+03 -0.523553E-08 0.100000E-04    0.985973E+00
  47   -0.755030E-06    0.202981E+03  0.371970E-08 0.100000E-04    0.971326E+00
  48   -0.120222E-05    0.195399E+03  0.615263E-08 0.100000E-04    0.937257E+00
  49    0.966802E-06    0.194857E+03 -0.496160E-08 0.100000E-04    0.955084E+00
  50    0.125944E-05    0.191382E+03 -0.658078E-08 0.100000E-04    0.884010E+00
  51    0.220079E-06    0.182990E+03 -0.120268E-08 0.100000E-04    0.866035E+00
  52   -0.598937E-06    0.174388E+03  0.343450E-08 0.100000E-04    0.938081E+00
  53   -0.128105E-06    0.172347E+03  0.743298E-09 0.100000E-04    0.873251E+00
  54   -0.218832E-06    0.168227E+03  0.130081E-08 0.100000E-04    0.948453E+00
  55    0.820604E-06    0.163208E+03 -0.502796E-08 0.100000E-04    0.990462E+00
  56   -0.136211E-05    0.156865E+03  0.868335E-08 0.100000E-04    0.977496E+00
  57   -0.367376E-06    0.154933E+03  0.237118E-08 0.100000E-04    0.824044E+00
  58   -0.909397E-06    0.152248E+03  0.597314E-08 0.100000E-04    0.996272E+00
  59   -0.628954E-06    0.146640E+03  0.428910E-08 0.100000E-04    0.997881E+00
  60    0.196969E-06    0.143331E+03 -0.137423E-08 0.100000E-04    0.666856E+00
  61   -0.912003E-06    0.138115E+03  0.660322E-08 0.100000E-04    0.805436E+00
  62    0.942961E-06    0.135873E+03 -0.694001E-08 0.100000E-04    0.976404E+00
  63    0.206551E-05    0.130281E+03 -0.158543E-07 0.100000E-04    0.925225E+00
  64   -0.119330E-06    0.128849E+03  0.926127E-09 0.100000E-04    0.173904E+01
  65   -0.129452E-05    0.126907E+03  0.102005E-07 0.100000E-04    0.888386E+00
  66    0.666421E-06    0.124027E+03 -0.537320E-08 0.100000E-04    0.888480E+00
  67   -0.186213E-05    0.120019E+03  0.155153E-07 0.100000E-04    0.967200E+00
  68    0.447772E-06    0.118173E+03 -0.378912E-08 0.100000E-04    0.938472E+00
  69   -0.454334E-07    0.116820E+03  0.388918E-09 0.100000E-04    0.768841E+01
  70   -0.133807E-05    0.110373E+03  0.121231E-07 0.100000E-04    0.952038E+00
  71   -0.705758E-06    0.106819E+03  0.660702E-08 0.100000E-04    0.921851E+00
  72   -0.101768E-05    0.104463E+03  0.974205E-08 0.100000E-04    0.895980E+00
  73    0.144436E-06    0.102859E+03 -0.140422E-08 0.100000E-04    0.687549E+00
  74    0.563480E-07    0.995095E+02 -0.566258E-09 0.100000E-04    0.602104E+00
  75   -0.161551E-06    0.960819E+02  0.168138E-08 0.100000E-04    0.584574E+00
  76    0.179405E-06    0.940939E+02 -0.190666E-08 0.100000E-04    0.861547E+00
  77   -0.152962E-05    0.919514E+02  0.166351E-07 0.100000E-04    0.965990E+00
  78   -0.802467E-06    0.912404E+02  0.879508E-08 0.100000E-04    0.976244E+00
  79   -0.725192E-06    0.883975E+02  0.820376E-08 0.100000E-04    0.988529E+00
  80   -0.541168E-06    0.856217E+02  0.632046E-08 0.100000E-04    0.919528E+00
  81    0.127592E-05    0.808381E+02 -0.157836E-07 0.100000E-04    0.995948E+00
  82   -0.123755E-05    0.805304E+02  0.153675E-07 0.100000E-04    0.939195E+00
  83    0.246945E-06    0.779474E+02 -0.316810E-08 0.100000E-04    0.835927E+00
  84    0.352002E-06    0.732762E+02 -0.480377E-08 0.109000E-04    0.273177E-01
  85    0.208358E-05    0.725320E+02 -0.287263E-07 0.100000E-04    0.891781E+00
  86    0.543858E-06    0.679049E+02 -0.800911E-08 0.100000E-04    0.836093E+00
  87   -0.851164E-06    0.647344E+02  0.131486E-07 0.100000E-04    0.759401E+00
  88    0.111190E-05    0.613301E+02 -0.181298E-07 0.100000E-04    0.963800E+00
  89    0.203381E-05    0.598262E+02 -0.339953E-07 0.100000E-04    0.951109E+00
  90    0.222992E-05    0.594046E+02 -0.375378E-07 0.100000E-04    0.980857E+00
  91   -0.274342E-05    0.581345E+02  0.471910E-07 0.100000E-04    0.930474E+00
  92   -0.358920E-05    0.558648E+02  0.642479E-07 0.100000E-04    0.955801E+00
  93   -0.326176E-05    0.524414E+02  0.621982E-07 0.100000E-04    0.987652E+00
  94    0.625171E-06    0.520138E+02 -0.120193E-07 0.100000E-04    0.871018E+00
  95   -0.200316E-05    0.502662E+02  0.398511E-07 0.100000E-04    0.884589E+00
  96   -0.113076E-05    0.461401E+02  0.245071E-07 0.100000E-04    0.933349E+00
  97   -0.309740E-05    0.433650E+02  0.714263E-07 0.100000E-04    0.887328E+00
  98    0.613280E-06    0.409212E+02 -0.149869E-07 0.100000E-04    0.454691E+00
  99    0.197531E-05    0.378661E+02 -0.521656E-07 0.100000E-04    0.782013E+00
 100    0.156761E-05    0.361933E+02 -0.433122E-07 0.100000E-04    0.893550E+00
 101   -0.106937E-04    0.322523E+02  0.331563E-06 0.100000E-04    0.948361E+00
 102   -0.115132E-06    0.289160E+02  0.398160E-08 0.100000E-04    0.866805E+00
 103    0.254914E-05    0.284552E+02 -0.895842E-07 0.100000E-04    0.964978E+00
 104   -0.135203E-05    0.263110E+02  0.513863E-07 0.100000E-04    0.839820E+00
 105   -0.615033E-05    0.233287E+02  0.263638E-06 0.100000E-04    0.935599E+00
 106    0.513479E-05    0.213373E+02 -0.240648E-06 0.100000E-04    0.970391E+00
 107    0.208647E-04    0.198498E+02 -0.105113E-05 0.100000E-04    0.927959E+00
 108    0.233986E-04    0.164514E+02 -0.142229E-05 0.100000E-04    0.938339E+00
 109   -0.553796E-05    0.139112E+02  0.398093E-06 0.100000E-04    0.960109E+00
 110    0.951536E-05    0.122442E+02 -0.777134E-06 0.100000E-04    0.845007E+00
 111    0.195326E-05    0.100873E+02 -0.193635E-06 0.100000E-04    0.568142E+00
 112   -0.311901E-01    0.912844E+01  0.100000E-04 0.100000E-04    0.585910E+00
 113    0.996446E-01    0.575488E+01 -0.227939E-04 0.227939E-04    0.195636E+00
 114    0.913703E+00    0.315654E+01  0.100000E-04 0.100000E-04    0.807417E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2279385226E-04    0.2685825547    

 Beginning of optimization cycle  649.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991627850
 potential> RMS force:                                               0.0861343623   |gradient|=.9196633270    
 Eigenvalues of the Hessian matrix:
   746.84284    673.99968    630.81543    600.62535    586.34456    578.89794 
   564.73460    487.43823    460.55196    459.74872    441.63963    429.43889 
   421.87782    407.87370    396.31221    387.40601    370.05044    360.57532 
   349.31352    335.32563    329.34187    321.81960    319.15476    309.34339 
   300.79199    290.60372    279.05854    272.75556    268.54847    264.96786 
   263.86235    253.19017    241.58679    240.79155    234.04622    227.53336 
   217.16491    214.89813    213.24816    207.69740    202.98079    195.39801 
   194.85747    191.38244    182.99106    174.38918    172.34733    168.22767 
   163.20771    156.86451    154.93387    152.24748    146.63949    143.33024 
   138.11545    135.87312    130.28031    128.84897    126.90717    124.02559 
   120.01925    118.17328    116.81934    110.37343    106.81914    104.46323 
   102.85861     99.50944     96.08169     94.09361     91.95102     91.24065 
    88.39697     85.62206     80.83819     80.53112     77.94717     73.27596 
    72.53135     67.90457     64.73396     61.32962     59.82596     59.40471 
    58.13443     55.86457     52.44129     52.01336     50.26685     46.13960 
    43.36561     40.92126     37.86599     36.19287     32.25188     28.91634 
    28.45529     26.31135     23.32858     21.33753     19.84969     16.45129 
    13.91129     12.24419     10.08724      9.13003      5.75507      3.15622 
overlap for current and previous eigenvector    109 is         0.9999999874
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999571
overlap for current and previous eigenvector    112 is         0.9999999211
overlap for current and previous eigenvector    113 is         0.9999999290
overlap for current and previous eigenvector    114 is         0.9999999634
J1,K1,R1,R2,RAT=   7   7    0.3624178628E-01     1.963747683        0.9637476829    
FOB,PFOB,DIAG,PSTEP=   -0.1704517965E-06   -0.1768616109E-06     746.8428401        0.2368136008E-09
J1,K1,R1,R2,RAT=   8   8   -0.4356039170E-01     2.043564795        0.9564396083    
FOB,PFOB,DIAG,PSTEP=   -0.4285692175E-06   -0.4106798804E-06     673.9996771        0.6093162804E-09
J1,K1,R1,R2,RAT=   9   9   -0.4969559612E-01     2.049685971        0.9503044039    
FOB,PFOB,DIAG,PSTEP=   -0.7622782405E-06   -0.7261896398E-06     630.8154349        0.1151197473E-08
J1,K1,R1,R2,RAT=  10  10   -0.6451477461         2.645155245        0.3548522539    
FOB,PFOB,DIAG,PSTEP=   -0.5645943604E-07   -0.3431881373E-07     600.6253528        0.5713825580E-10
J1,K1,R1,R2,RAT=  11  11   -0.7014086889         2.701410674        0.2985913111    
FOB,PFOB,DIAG,PSTEP=    0.1342017405E-07    0.7887687204E-08     586.3445644       -0.1345229385E-10
J1,K1,R1,R2,RAT= 109 109   -0.1855557943E-01     2.018547065        0.9814444206    
FOB,PFOB,DIAG,PSTEP=   -0.5640723061E-05   -0.5537962520E-05     13.91128998        0.3980929235E-06
J1,K1,R1,R2,RAT= 110 110   -0.1473687368         2.147365717        0.8526312632    
FOB,PFOB,DIAG,PSTEP=    0.1091762917E-04    0.9515360407E-05     12.24418889       -0.7771339416E-06
J1,K1,R1,R2,RAT= 111 111   -0.1379569501         2.137969918        0.8620430499    
FOB,PFOB,DIAG,PSTEP=    0.2222719035E-05    0.1953255597E-05     10.08723539       -0.1936351098E-06
J1,K1,R1,R2,RAT= 112 112    0.3838032615         682.8585896        0.6161967385    
FOB,PFOB,DIAG,PSTEP=   -0.3115506129E-01   -0.3119010262E-01     9.130025580        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7772141111         1519.978620        0.2227858889    
FOB,PFOB,DIAG,PSTEP=    0.9974651348E-01    0.9964455839E-01     5.755068534       -0.2279385226E-04
J1,K1,R1,R2,RAT= 114 114    0.1335917947        -57898.63959        0.8664082053    
FOB,PFOB,DIAG,PSTEP=    0.9137070803        0.9137028638         3.156222594        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00001      0.00002      0.00003 
    -0.00001      0.00001      0.00000     -0.03116      0.09975      0.91371 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3814936400
 Log product of positive Hessian eigenvalues =          519.0749611777
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1562225936
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000040
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000053
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000001
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000053
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000073
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=        0.0000000006
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000051
 Unscaled step for mode   56=        0.0000000089
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000017
 Unscaled step for mode   61=        0.0000000077
 Unscaled step for mode   62=       -0.0000000072
 Unscaled step for mode   63=       -0.0000000173
 Unscaled step for mode   64=        0.0000000018
 Unscaled step for mode   65=        0.0000000112
 Unscaled step for mode   66=       -0.0000000059
 Unscaled step for mode   67=        0.0000000161
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000007
 Unscaled step for mode   70=        0.0000000127
 Unscaled step for mode   71=        0.0000000072
 Unscaled step for mode   72=        0.0000000084
 Unscaled step for mode   73=       -0.0000000018
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=        0.0000000004
 Unscaled step for mode   76=       -0.0000000022
 Unscaled step for mode   77=       -0.0000000161
 Unscaled step for mode   78=       -0.0000000092
 Unscaled step for mode   79=        0.0000000086
 Unscaled step for mode   80=        0.0000000068
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000163
 Unscaled step for mode   83=       -0.0000000024
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=       -0.0000000314
 Unscaled step for mode   86=       -0.0000000093
 Unscaled step for mode   87=        0.0000000163
 Unscaled step for mode   88=       -0.0000000174
 Unscaled step for mode   89=       -0.0000000353
 Unscaled step for mode   90=       -0.0000000390
 Unscaled step for mode   91=        0.0000000522
 Unscaled step for mode   92=        0.0000000685
 Unscaled step for mode   93=        0.0000000642
 Unscaled step for mode   94=       -0.0000000107
 Unscaled step for mode   95=        0.0000000436
 Unscaled step for mode   96=        0.0000000275
 Unscaled step for mode   97=        0.0000000794
 Unscaled step for mode   98=       -0.0000000196
 Unscaled step for mode   99=       -0.0000000617
 Unscaled step for mode  100=       -0.0000000480
 Unscaled step for mode  101=        0.0000003567
 Unscaled step for mode  102=        0.0000000142
 Unscaled step for mode  103=       -0.0000000920
 Unscaled step for mode  104=        0.0000000323
 Unscaled step for mode  105=        0.0000002860
 Unscaled step for mode  106=       -0.0000002486
 Unscaled step for mode  107=       -0.0000011473
 Unscaled step for mode  108=       -0.0000015339
 Unscaled step for mode  109=        0.0000004055
 Unscaled step for mode  110=       -0.0000008917
 Unscaled step for mode  111=       -0.0000002203
 Unscaled step for mode  112=        0.0034123342
 Unscaled step for mode  113=       -0.0173267386
 Unscaled step for mode  114=        0.2686069692
 Largest modulus ratio of non-zero e/values=           236.6255288    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.162739E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.225552E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.321791E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.101066E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.107584E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.354287E-14    0.974313E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170452E-06    0.746843E+03  0.228230E-09 0.100000E-04    0.963748E+00
   8   -0.428569E-06    0.674000E+03  0.635860E-09 0.100000E-04    0.956440E+00
   9   -0.762278E-06    0.630815E+03  0.120840E-08 0.100000E-04    0.950304E+00
  10   -0.564594E-07    0.600625E+03  0.940011E-10 0.100000E-04    0.354852E+00
  11    0.134202E-07    0.586345E+03 -0.228879E-10 0.100000E-04    0.298591E+00
  12   -0.109008E-05    0.578898E+03  0.188302E-08 0.100000E-04    0.952123E+00
  13    0.459404E-07    0.564735E+03 -0.813487E-10 0.100000E-04    0.944885E+00
  14    0.457130E-06    0.487438E+03 -0.937822E-09 0.100000E-04    0.954209E+00
  15   -0.463589E-06    0.460552E+03  0.100659E-08 0.100000E-04    0.940487E+00
  16   -0.151550E-06    0.459749E+03  0.329637E-09 0.100000E-04    0.800415E+00
  17   -0.646556E-06    0.441640E+03  0.146399E-08 0.100000E-04    0.915297E+00
  18   -0.440724E-06    0.429439E+03  0.102628E-08 0.100000E-04    0.934543E+00
  19   -0.115089E-06    0.421878E+03  0.272803E-09 0.100000E-04    0.785662E+00
  20   -0.401596E-06    0.407874E+03  0.984608E-09 0.100000E-04    0.932653E+00
  21   -0.461113E-06    0.396312E+03  0.116351E-08 0.100000E-04    0.927064E+00
  22   -0.646437E-06    0.387406E+03  0.166863E-08 0.100000E-04    0.986089E+00
  23    0.866230E-06    0.370050E+03 -0.234084E-08 0.100000E-04    0.934694E+00
  24   -0.441491E-06    0.360575E+03  0.122441E-08 0.100000E-04    0.979707E+00
  25   -0.472404E-07    0.349314E+03  0.135238E-09 0.100000E-04    0.611910E+00
  26    0.968129E-10    0.335326E+03 -0.288713E-12 0.109000E-04    0.161960E-02
  27    0.413699E-06    0.329342E+03 -0.125614E-08 0.100000E-04    0.877437E+00
  28   -0.436021E-06    0.321820E+03  0.135486E-08 0.100000E-04    0.880905E+00
  29   -0.155560E-06    0.319155E+03  0.487411E-09 0.100000E-04    0.222812E+00
  30   -0.143630E-05    0.309343E+03  0.464306E-08 0.100000E-04    0.947167E+00
  31   -0.109399E-05    0.300792E+03  0.363704E-08 0.100000E-04    0.955995E+00
  32   -0.129149E-05    0.290604E+03  0.444415E-08 0.100000E-04    0.963635E+00
  33   -0.740145E-07    0.279059E+03  0.265229E-09 0.100000E-04    0.100778E+01
  34    0.719034E-08    0.272756E+03 -0.263618E-10 0.109000E-04    0.148178E+00
  35    0.106554E-05    0.268548E+03 -0.396777E-08 0.100000E-04    0.962926E+00
  36    0.127105E-05    0.264968E+03 -0.479699E-08 0.100000E-04    0.986317E+00
  37   -0.550442E-06    0.263862E+03  0.208609E-08 0.100000E-04    0.905594E+00
  38   -0.136682E-06    0.253190E+03  0.539839E-09 0.100000E-04    0.977697E+00
  39   -0.364346E-06    0.241587E+03  0.150814E-08 0.100000E-04    0.899631E+00
  40   -0.126638E-05    0.240792E+03  0.525925E-08 0.100000E-04    0.990373E+00
  41   -0.983907E-06    0.234046E+03  0.420390E-08 0.100000E-04    0.983629E+00
  42   -0.177380E-05    0.227533E+03  0.779578E-08 0.100000E-04    0.954790E+00
  43   -0.119189E-07    0.217165E+03  0.548840E-10 0.109000E-04    0.364399E-01
  44   -0.202505E-05    0.214898E+03  0.942332E-08 0.100000E-04    0.972174E+00
  45    0.710233E-06    0.213248E+03 -0.333055E-08 0.100000E-04    0.997430E+00
  46    0.109175E-05    0.207697E+03 -0.525645E-08 0.100000E-04    0.996000E+00
  47   -0.771249E-06    0.202981E+03  0.379962E-08 0.100000E-04    0.978518E+00
  48   -0.130593E-05    0.195398E+03  0.668343E-08 0.100000E-04    0.913731E+00
  49    0.100754E-05    0.194857E+03 -0.517066E-08 0.100000E-04    0.957862E+00
  50    0.140471E-05    0.191382E+03 -0.733978E-08 0.100000E-04    0.884662E+00
  51    0.252401E-06    0.182991E+03 -0.137931E-08 0.100000E-04    0.853136E+00
  52   -0.650567E-06    0.174389E+03  0.373055E-08 0.100000E-04    0.913798E+00
  53   -0.107949E-06    0.172347E+03  0.626346E-09 0.100000E-04    0.842657E+00
  54   -0.207051E-06    0.168228E+03  0.123078E-08 0.100000E-04    0.946160E+00
  55    0.826961E-06    0.163208E+03 -0.506692E-08 0.100000E-04    0.992254E+00
  56   -0.139687E-05    0.156865E+03  0.890493E-08 0.100000E-04    0.974484E+00
  57   -0.416740E-06    0.154934E+03  0.268979E-08 0.100000E-04    0.865631E+00
  58   -0.919031E-06    0.152247E+03  0.603643E-08 0.100000E-04    0.989406E+00
  59   -0.634318E-06    0.146639E+03  0.432570E-08 0.100000E-04    0.991472E+00
  60    0.242809E-06    0.143330E+03 -0.169405E-08 0.100000E-04    0.767277E+00
  61   -0.106832E-05    0.138115E+03  0.773500E-08 0.100000E-04    0.828598E+00
  62    0.981255E-06    0.135873E+03 -0.722185E-08 0.100000E-04    0.959389E+00
  63    0.224893E-05    0.130280E+03 -0.172622E-07 0.100000E-04    0.911198E+00
  64   -0.235041E-06    0.128849E+03  0.182416E-08 0.109000E-04    0.303356E-01
  65   -0.142277E-05    0.126907E+03  0.112111E-07 0.100000E-04    0.900926E+00
  66    0.733742E-06    0.124026E+03 -0.591605E-08 0.100000E-04    0.898980E+00
  67   -0.193641E-05    0.120019E+03  0.161341E-07 0.100000E-04    0.960111E+00
  68    0.476038E-06    0.118173E+03 -0.402831E-08 0.100000E-04    0.936874E+00
  69   -0.774186E-07    0.116819E+03  0.662720E-09 0.100000E-04    0.295995E+00
  70   -0.140680E-05    0.110373E+03  0.127458E-07 0.100000E-04    0.948632E+00
  71   -0.764111E-06    0.106819E+03  0.715332E-08 0.100000E-04    0.917318E+00
  72   -0.880416E-06    0.104463E+03  0.842800E-08 0.100000E-04    0.865113E+00
  73    0.181182E-06    0.102859E+03 -0.176146E-08 0.100000E-04    0.745589E+00
  74    0.249480E-07    0.995094E+02 -0.250710E-09 0.100000E-04    0.442749E+00
  75   -0.423910E-07    0.960817E+02  0.441198E-09 0.100000E-04    0.262399E+00
  76    0.203056E-06    0.940936E+02 -0.215802E-08 0.100000E-04    0.868165E+00
  77    0.148050E-05    0.919510E+02 -0.161009E-07 0.100000E-04    0.967884E+00
  78    0.835573E-06    0.912407E+02 -0.915790E-08 0.100000E-04    0.958745E+00
  79   -0.756487E-06    0.883970E+02  0.855783E-08 0.100000E-04    0.956846E+00
  80   -0.586473E-06    0.856221E+02  0.684955E-08 0.100000E-04    0.916285E+00
  81    0.129585E-05    0.808382E+02 -0.160301E-07 0.100000E-04    0.984380E+00
  82   -0.131486E-05    0.805311E+02  0.163273E-07 0.100000E-04    0.937535E+00
  83    0.189506E-06    0.779472E+02 -0.243120E-08 0.100000E-04    0.767397E+00
  84    0.542636E-06    0.732760E+02 -0.740538E-08 0.100000E-04    0.458428E+00
  85    0.228008E-05    0.725314E+02 -0.314358E-07 0.100000E-04    0.905688E+00
  86    0.633393E-06    0.679046E+02 -0.932769E-08 0.100000E-04    0.835370E+00
  87   -0.105273E-05    0.647340E+02  0.162625E-07 0.100000E-04    0.763182E+00
  88    0.106797E-05    0.613296E+02 -0.174136E-07 0.100000E-04    0.960491E+00
  89    0.211296E-05    0.598260E+02 -0.353185E-07 0.100000E-04    0.961082E+00
  90    0.231888E-05    0.594047E+02 -0.390352E-07 0.100000E-04    0.960108E+00
  91   -0.303397E-05    0.581344E+02  0.521888E-07 0.100000E-04    0.894094E+00
  92   -0.382552E-05    0.558646E+02  0.684785E-07 0.100000E-04    0.934155E+00
  93   -0.336850E-05    0.524413E+02  0.642338E-07 0.100000E-04    0.967274E+00
  94    0.554757E-06    0.520134E+02 -0.106657E-07 0.100000E-04    0.887368E+00
  95   -0.219070E-05    0.502669E+02  0.435815E-07 0.100000E-04    0.906379E+00
  96   -0.126685E-05    0.461396E+02  0.274570E-07 0.100000E-04    0.879641E+00
  97   -0.344171E-05    0.433656E+02  0.793650E-07 0.100000E-04    0.888841E+00
  98    0.802075E-06    0.409213E+02 -0.196004E-07 0.100000E-04    0.692157E+00
  99    0.233641E-05    0.378660E+02 -0.617021E-07 0.100000E-04    0.817190E+00
 100    0.173636E-05    0.361929E+02 -0.479751E-07 0.100000E-04    0.892352E+00
 101   -0.115059E-04    0.322519E+02  0.356750E-06 0.100000E-04    0.924047E+00
 102   -0.409964E-06    0.289163E+02  0.141776E-07 0.100000E-04    0.156079E+01
 103    0.261879E-05    0.284553E+02 -0.920317E-07 0.100000E-04    0.972677E+00
 104   -0.849507E-06    0.263114E+02  0.322867E-07 0.100000E-04    0.628302E+00
 105   -0.667089E-05    0.233286E+02  0.285954E-06 0.100000E-04    0.915360E+00
 106    0.530450E-05    0.213375E+02 -0.248600E-06 0.100000E-04    0.966949E+00
 107    0.227728E-04    0.198497E+02 -0.114726E-05 0.100000E-04    0.908548E+00
 108    0.252344E-04    0.164513E+02 -0.153389E-05 0.100000E-04    0.921540E+00
 109   -0.564072E-05    0.139113E+02  0.405478E-06 0.100000E-04    0.981444E+00
 110    0.109176E-04    0.122442E+02 -0.891658E-06 0.100000E-04    0.852631E+00
 111    0.222272E-05    0.100872E+02 -0.220350E-06 0.100000E-04    0.862043E+00
 112   -0.311551E-01    0.913003E+01  0.100000E-04 0.100000E-04    0.616197E+00
 113    0.997465E-01    0.575507E+01 -0.205350E-04 0.205350E-04    0.222786E+00
 114    0.913707E+00    0.315622E+01  0.100000E-04 0.100000E-04    0.866408E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2053500204E-04    0.2686069692    

 Beginning of optimization cycle  650.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991560059
 potential> RMS force:                                               0.0861358092   |gradient|=.9196787752    
 Eigenvalues of the Hessian matrix:
   746.84666    673.99843    630.81835    600.62308    586.34406    578.89810 
   564.73063    487.43790    460.55068    459.74819    441.63908    429.44013 
   421.87721    407.87212    396.31166    387.40461    370.05090    360.57547 
   349.31280    335.32627    329.34271    321.81937    319.15539    309.34225 
   300.79140    290.60378    279.05998    272.75601    268.54870    264.96817 
   263.86291    253.18956    241.58709    240.79192    234.04697    227.53366 
   217.16562    214.89826    213.24788    207.69788    202.98038    195.39721 
   194.85783    191.38289    182.99178    174.38990    172.34757    168.22794 
   163.20739    156.86428    154.93438    152.24730    146.63891    143.32985 
   138.11596    135.87311    130.28007    128.84918    126.90736    124.02449 
   120.01943    118.17341    116.81893    110.37367    106.81899    104.46346 
   102.85868     99.50938     96.08150     94.09339     91.95061     91.24086 
    88.39646     85.62235     80.83827     80.53178     77.94695     73.27576 
    72.53079     67.90427     64.73352     61.32917     59.82570     59.40480 
    58.13439     55.86435     52.44120     52.01300     50.26743     46.13919 
    43.36617     40.92138     37.86595     36.19254     32.25151     28.91668 
    28.45535     26.31163     23.32848     21.33778     19.84959     16.45119 
    13.91135     12.24421     10.08717      9.13151      5.75524      3.15592 
overlap for current and previous eigenvector    109 is         0.9999999892
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999640
overlap for current and previous eigenvector    112 is         0.9999999323
overlap for current and previous eigenvector    113 is         0.9999999375
overlap for current and previous eigenvector    114 is         0.9999999682
J1,K1,R1,R2,RAT=   7   7   -0.1057996015E-01     2.010569737        0.9894200398    
FOB,PFOB,DIAG,PSTEP=   -0.1722551789E-06   -0.1704517965E-06     746.8466575        0.2282298059E-09
J1,K1,R1,R2,RAT=   8   8    0.4976467749E-01     1.950239022        0.9502353225    
FOB,PFOB,DIAG,PSTEP=   -0.4072416480E-06   -0.4285692175E-06     673.9984303        0.6358596778E-09
J1,K1,R1,R2,RAT=   9   9    0.5477056598E-01     1.945220200        0.9452202000    
FOB,PFOB,DIAG,PSTEP=   -0.7205276371E-06   -0.7622782405E-06     630.8183474        0.1208401377E-08
J1,K1,R1,R2,RAT=  10  10    0.4996823227         1.500325246        0.5003176773    
FOB,PFOB,DIAG,PSTEP=   -0.2824776066E-07   -0.5645943604E-07     600.6230799        0.9400108699E-10
J1,K1,R1,R2,RAT=  11  11    0.2681551443         1.731846573        0.7318448557    
FOB,PFOB,DIAG,PSTEP=    0.9821488435E-08    0.1342017405E-07     586.3440608       -0.2288786299E-10
J1,K1,R1,R2,RAT= 109 109    0.4993218500E-01     1.950059436        0.9500594356    
FOB,PFOB,DIAG,PSTEP=   -0.5359068254E-05   -0.5640723061E-05     13.91134827        0.4054780735E-06
J1,K1,R1,R2,RAT= 110 110    0.1515066505         1.848490103        0.8484901032    
FOB,PFOB,DIAG,PSTEP=    0.9263533057E-05    0.1091762917E-04     12.24420877       -0.8916580154E-06
J1,K1,R1,R2,RAT= 111 111    0.2938111193         1.706202293        0.7061888807    
FOB,PFOB,DIAG,PSTEP=    0.1569663847E-05    0.2222719035E-05     10.08716775       -0.2203496745E-06
J1,K1,R1,R2,RAT= 112 112    0.4212615721         681.9424071        0.5787384279    
FOB,PFOB,DIAG,PSTEP=   -0.3111659373E-01   -0.3115506129E-01     9.131512335        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8381580830         1688.827888        0.1618419170    
FOB,PFOB,DIAG,PSTEP=    0.9984557018E-01    0.9974651348E-01     5.755236432       -0.2053500204E-04
J1,K1,R1,R2,RAT= 114 114    0.1914164808        -57904.55385        0.8085835192    
FOB,PFOB,DIAG,PSTEP=    0.9137131212        0.9137070803         3.155917937        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00001      0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03112      0.09985      0.91371 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3814719779
 Log product of positive Hessian eigenvalues =          519.0750287036
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1559179372
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000051
 Unscaled step for mode   56=        0.0000000086
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=        0.0000000061
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=        0.0000000064
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000158
 Unscaled step for mode   64=        0.0000000009
 Unscaled step for mode   65=        0.0000000099
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=        0.0000000155
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000120
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=        0.0000000099
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000007
 Unscaled step for mode   75=        0.0000000020
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=       -0.0000000088
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000152
 Unscaled step for mode   83=       -0.0000000032
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000279
 Unscaled step for mode   86=       -0.0000000078
 Unscaled step for mode   87=        0.0000000130
 Unscaled step for mode   88=       -0.0000000182
 Unscaled step for mode   89=       -0.0000000333
 Unscaled step for mode   90=       -0.0000000380
 Unscaled step for mode   91=        0.0000000480
 Unscaled step for mode   92=        0.0000000648
 Unscaled step for mode   93=        0.0000000631
 Unscaled step for mode   94=       -0.0000000128
 Unscaled step for mode   95=        0.0000000384
 Unscaled step for mode   96=        0.0000000254
 Unscaled step for mode   97=        0.0000000698
 Unscaled step for mode   98=       -0.0000000128
 Unscaled step for mode   99=       -0.0000000499
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=        0.0000003350
 Unscaled step for mode  102=        0.0000000044
 Unscaled step for mode  103=       -0.0000000882
 Unscaled step for mode  104=        0.0000000450
 Unscaled step for mode  105=        0.0000002652
 Unscaled step for mode  106=       -0.0000002388
 Unscaled step for mode  107=       -0.0000010559
 Unscaled step for mode  108=       -0.0000014257
 Unscaled step for mode  109=        0.0000003852
 Unscaled step for mode  110=       -0.0000007566
 Unscaled step for mode  111=       -0.0000001556
 Unscaled step for mode  112=        0.0034075662
 Unscaled step for mode  113=       -0.0173434295
 Unscaled step for mode  114=        0.2686309458
 Largest modulus ratio of non-zero e/values=           236.6495810    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.178644E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.230631E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.367002E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.357581E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.818844E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.416403E-14    0.974313E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172255E-06    0.746847E+03  0.230643E-09 0.100000E-04    0.989420E+00
   8   -0.407242E-06    0.673998E+03  0.604218E-09 0.100000E-04    0.950235E+00
   9   -0.720528E-06    0.630818E+03  0.114221E-08 0.100000E-04    0.945220E+00
  10   -0.282478E-07    0.600623E+03  0.470308E-10 0.100000E-04    0.500318E+00
  11    0.982149E-08    0.586344E+03 -0.167504E-10 0.100000E-04    0.731845E+00
  12   -0.102721E-05    0.578898E+03  0.177443E-08 0.100000E-04    0.942329E+00
  13    0.498624E-07    0.564731E+03 -0.882942E-10 0.100000E-04    0.914628E+00
  14    0.426093E-06    0.487438E+03 -0.874149E-09 0.100000E-04    0.932105E+00
  15   -0.435006E-06    0.460551E+03  0.944534E-09 0.100000E-04    0.938343E+00
  16   -0.123664E-06    0.459748E+03  0.268982E-09 0.100000E-04    0.815993E+00
  17   -0.586696E-06    0.441639E+03  0.132845E-08 0.100000E-04    0.907417E+00
  18   -0.409882E-06    0.429440E+03  0.954456E-09 0.100000E-04    0.930014E+00
  19   -0.154597E-06    0.421877E+03  0.366450E-09 0.100000E-04    0.656725E+00
  20   -0.370319E-06    0.407872E+03  0.907930E-09 0.100000E-04    0.922120E+00
  21   -0.423343E-06    0.396312E+03  0.106821E-08 0.100000E-04    0.918088E+00
  22   -0.640396E-06    0.387405E+03  0.165304E-08 0.100000E-04    0.990654E+00
  23    0.798908E-06    0.370051E+03 -0.215891E-08 0.100000E-04    0.922279E+00
  24   -0.430867E-06    0.360575E+03  0.119494E-08 0.100000E-04    0.975936E+00
  25   -0.880550E-07    0.349313E+03  0.252081E-09 0.109000E-04    0.136024E+00
  26   -0.575104E-07    0.335326E+03  0.171506E-09 0.100000E-04    0.592036E+03
  27    0.368754E-06    0.329343E+03 -0.111967E-08 0.100000E-04    0.891352E+00
  28   -0.390934E-06    0.321819E+03  0.121476E-08 0.100000E-04    0.896593E+00
  29   -0.816264E-07    0.319155E+03  0.255758E-09 0.100000E-04    0.524724E+00
  30   -0.138163E-05    0.309342E+03  0.446635E-08 0.100000E-04    0.961937E+00
  31   -0.104513E-05    0.300791E+03  0.347460E-08 0.100000E-04    0.955337E+00
  32   -0.125094E-05    0.290604E+03  0.430464E-08 0.100000E-04    0.968607E+00
  33   -0.230924E-07    0.279060E+03  0.827508E-10 0.100000E-04    0.311992E+00
  34   -0.455024E-07    0.272756E+03  0.166825E-09 0.100000E-04    0.432826E+01
  35    0.103172E-05    0.268549E+03 -0.384182E-08 0.100000E-04    0.968257E+00
  36    0.125036E-05    0.264968E+03 -0.471890E-08 0.100000E-04    0.983720E+00
  37   -0.493703E-06    0.263863E+03  0.187106E-08 0.100000E-04    0.896918E+00
  38   -0.139619E-06    0.253190E+03  0.551439E-09 0.100000E-04    0.978514E+00
  39   -0.407581E-06    0.241587E+03  0.168710E-08 0.100000E-04    0.881333E+00
  40   -0.124846E-05    0.240792E+03  0.518479E-08 0.100000E-04    0.985841E+00
  41   -0.992152E-06    0.234047E+03  0.423912E-08 0.100000E-04    0.991619E+00
  42   -0.170946E-05    0.227534E+03  0.751302E-08 0.100000E-04    0.963727E+00
  43   -0.862669E-08    0.217166E+03  0.397240E-10 0.100000E-04    0.723779E+00
  44   -0.195864E-05    0.214898E+03  0.911428E-08 0.100000E-04    0.967204E+00
  45    0.721923E-06    0.213248E+03 -0.338537E-08 0.100000E-04    0.983541E+00
  46    0.107298E-05    0.207698E+03 -0.516608E-08 0.100000E-04    0.982805E+00
  47   -0.744478E-06    0.202980E+03  0.366773E-08 0.100000E-04    0.965288E+00
  48   -0.121010E-05    0.195397E+03  0.619305E-08 0.100000E-04    0.926622E+00
  49    0.955359E-06    0.194858E+03 -0.490285E-08 0.100000E-04    0.948204E+00
  50    0.123481E-05    0.191383E+03 -0.645206E-08 0.100000E-04    0.879052E+00
  51    0.218594E-06    0.182992E+03 -0.119456E-08 0.100000E-04    0.866051E+00
  52   -0.603277E-06    0.174390E+03  0.345936E-08 0.100000E-04    0.927302E+00
  53   -0.133539E-06    0.172348E+03  0.774822E-09 0.100000E-04    0.762949E+00
  54   -0.222775E-06    0.168228E+03  0.132424E-08 0.100000E-04    0.924060E+00
  55    0.834207E-06    0.163207E+03 -0.511133E-08 0.100000E-04    0.991237E+00
  56   -0.135507E-05    0.156864E+03  0.863851E-08 0.100000E-04    0.970080E+00
  57   -0.346040E-06    0.154934E+03  0.223346E-08 0.100000E-04    0.830346E+00
  58   -0.922551E-06    0.152247E+03  0.605955E-08 0.100000E-04    0.996170E+00
  59   -0.633191E-06    0.146639E+03  0.431803E-08 0.100000E-04    0.998224E+00
  60    0.178527E-06    0.143330E+03 -0.124557E-08 0.100000E-04    0.735259E+00
  61   -0.877685E-06    0.138116E+03  0.635469E-08 0.100000E-04    0.821547E+00
  62    0.947845E-06    0.135873E+03 -0.697596E-08 0.100000E-04    0.965952E+00
  63    0.206209E-05    0.130280E+03 -0.158281E-07 0.100000E-04    0.916920E+00
  64   -0.121699E-06    0.128849E+03  0.944506E-09 0.100000E-04    0.517775E+00
  65   -0.125518E-05    0.126907E+03  0.989052E-08 0.100000E-04    0.882203E+00
  66    0.650537E-06    0.124024E+03 -0.524523E-08 0.100000E-04    0.886601E+00
  67   -0.185760E-05    0.120019E+03  0.154775E-07 0.100000E-04    0.959301E+00
  68    0.442855E-06    0.118173E+03 -0.374750E-08 0.100000E-04    0.930291E+00
  69   -0.154152E-07    0.116819E+03  0.131958E-09 0.109000E-04    0.199113E+00
  70   -0.132606E-05    0.110374E+03  0.120143E-07 0.100000E-04    0.942600E+00
  71   -0.697597E-06    0.106819E+03  0.653064E-08 0.100000E-04    0.912952E+00
  72   -0.102987E-05    0.104463E+03  0.985862E-08 0.100000E-04    0.830251E+00
  73    0.136307E-06    0.102859E+03 -0.132519E-08 0.100000E-04    0.752321E+00
  74    0.724523E-07    0.995094E+02 -0.728095E-09 0.100000E-04    0.904128E+00
  75   -0.188948E-06    0.960815E+02  0.196653E-08 0.100000E-04    0.245726E+01
  76    0.173939E-06    0.940934E+02 -0.184857E-08 0.100000E-04    0.856602E+00
  77   -0.155147E-05    0.919506E+02  0.168728E-07 0.100000E-04    0.952065E+00
  78    0.806425E-06    0.912409E+02 -0.883842E-08 0.100000E-04    0.965111E+00
  79   -0.743026E-06    0.883965E+02  0.840561E-08 0.100000E-04    0.982207E+00
  80   -0.535927E-06    0.856223E+02  0.625919E-08 0.100000E-04    0.913808E+00
  81    0.128669E-05    0.808383E+02 -0.159168E-07 0.100000E-04    0.992928E+00
  82   -0.122357E-05    0.805318E+02  0.151936E-07 0.100000E-04    0.930558E+00
  83    0.249263E-06    0.779469E+02 -0.319785E-08 0.100000E-04    0.684668E+00
  84    0.317663E-06    0.732758E+02 -0.433518E-08 0.100000E-04    0.585407E+00
  85    0.202068E-05    0.725308E+02 -0.278597E-07 0.100000E-04    0.886232E+00
  86    0.530056E-06    0.679043E+02 -0.780593E-08 0.100000E-04    0.836851E+00
  87   -0.840897E-06    0.647335E+02  0.129901E-07 0.100000E-04    0.798773E+00
  88    0.111583E-05    0.613292E+02 -0.181942E-07 0.100000E-04    0.955181E+00
  89    0.198968E-05    0.598257E+02 -0.332580E-07 0.100000E-04    0.941655E+00
  90    0.225605E-05    0.594048E+02 -0.379775E-07 0.100000E-04    0.972902E+00
  91   -0.278916E-05    0.581344E+02  0.479777E-07 0.100000E-04    0.919310E+00
  92   -0.362211E-05    0.558643E+02  0.648376E-07 0.100000E-04    0.946828E+00
  93   -0.330846E-05    0.524412E+02  0.630890E-07 0.100000E-04    0.982175E+00
  94    0.666504E-06    0.520130E+02 -0.128142E-07 0.100000E-04    0.798564E+00
  95   -0.193211E-05    0.502674E+02  0.384367E-07 0.100000E-04    0.881939E+00
  96   -0.117203E-05    0.461392E+02  0.254020E-07 0.100000E-04    0.925146E+00
  97   -0.302752E-05    0.433662E+02  0.698130E-07 0.100000E-04    0.879632E+00
  98    0.525180E-06    0.409214E+02 -0.128339E-07 0.100000E-04    0.654772E+00
  99    0.189011E-05    0.378660E+02 -0.499159E-07 0.100000E-04    0.808981E+00
 100    0.154128E-05    0.361925E+02 -0.425856E-07 0.100000E-04    0.887651E+00
 101   -0.108047E-04    0.322515E+02  0.335012E-06 0.100000E-04    0.939056E+00
 102   -0.127178E-06    0.289167E+02  0.439807E-08 0.100000E-04    0.310201E+00
 103    0.250966E-05    0.284554E+02 -0.881963E-07 0.100000E-04    0.958323E+00
 104   -0.118282E-05    0.263116E+02  0.449541E-07 0.100000E-04    0.607648E+00
 105   -0.618697E-05    0.233285E+02  0.265211E-06 0.100000E-04    0.927458E+00
 106    0.509532E-05    0.213378E+02 -0.238793E-06 0.100000E-04    0.960542E+00
 107    0.209595E-04    0.198496E+02 -0.105592E-05 0.100000E-04    0.920374E+00
 108    0.234538E-04    0.164512E+02 -0.142566E-05 0.100000E-04    0.929434E+00
 109   -0.535907E-05    0.139113E+02  0.385230E-06 0.100000E-04    0.950059E+00
 110    0.926353E-05    0.122442E+02 -0.756564E-06 0.100000E-04    0.848490E+00
 111    0.156966E-05    0.100872E+02 -0.155610E-06 0.100000E-04    0.706189E+00
 112   -0.311166E-01    0.913151E+01  0.100000E-04 0.100000E-04    0.578738E+00
 113    0.998456E-01    0.575524E+01 -0.223832E-04 0.223832E-04    0.161842E+00
 114    0.913713E+00    0.315592E+01  0.100000E-04 0.100000E-04    0.808584E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2238315222E-04    0.2686309458    

 Beginning of optimization cycle  651.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991494128
 potential> RMS force:                                               0.0861371467   |gradient|=.9196930562    
 Eigenvalues of the Hessian matrix:
   746.85056    673.99697    630.82135    600.62083    586.34349    578.89825 
   564.72643    487.43746    460.54937    459.74764    441.63848    429.44153 
   421.87657    407.87044    396.31107    387.40317    370.05136    360.57566 
   349.31212    335.32694    329.34360    321.81908    319.15615    309.34107 
   300.79086    290.60385    279.06153    272.75649    268.54900    264.96851 
   263.86355    253.18899    241.58748    240.79229    234.04781    227.53403 
   217.16642    214.89840    213.24758    207.69840    202.97996    195.39639 
   194.85823    191.38336    182.99256    174.39067    172.34782    168.22824 
   163.20706    156.86406    154.93491    152.24711    146.63830    143.32942 
   138.11650    135.87311    130.27980    128.84939    126.90756    124.02332 
   120.01962    118.17353    116.81847    110.37393    106.81882    104.46367 
   102.85876     99.50930     96.08128     94.09314     91.95021     91.24109 
    88.39594     85.62266     80.83836     80.53249     77.94671     73.27552 
    72.53018     67.90394     64.73305     61.32873     59.82543     59.40489 
    58.13434     55.86410     52.44108     52.01260     50.26804     46.13875 
    43.36675     40.92148     37.86589     36.19214     32.25113     28.91701 
    28.45542     26.31193     23.32838     21.33801     19.84950     16.45108 
    13.91141     12.24423     10.08710      9.13308      5.75542      3.15560 
overlap for current and previous eigenvector    109 is         0.9999999878
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999578
overlap for current and previous eigenvector    112 is         0.9999999228
overlap for current and previous eigenvector    113 is         0.9999999308
overlap for current and previous eigenvector    114 is         0.9999999643
J1,K1,R1,R2,RAT=   7   7    0.4723139442E-02     1.995266413        0.9952664129    
FOB,PFOB,DIAG,PSTEP=   -0.1714415894E-06   -0.1722551789E-06     746.8505590        0.2306433016E-09
J1,K1,R1,R2,RAT=   8   8   -0.4281893284E-01     2.042823254        0.9571810672    
FOB,PFOB,DIAG,PSTEP=   -0.4246792631E-06   -0.4072416480E-06     673.9969742        0.6042175022E-09
J1,K1,R1,R2,RAT=   9   9   -0.4626813100E-01     2.046258608        0.9537318690    
FOB,PFOB,DIAG,PSTEP=   -0.7538652629E-06   -0.7205276371E-06     630.8213512        0.1142210971E-08
J1,K1,R1,R2,RAT=  10  10   -0.8459334334         2.845940922        0.1540665666    
FOB,PFOB,DIAG,PSTEP=   -0.5214339634E-07   -0.2824776066E-07     600.6208311        0.4703076122E-10
J1,K1,R1,R2,RAT=  11  11   -0.1974758030         2.197477744        0.8025241970    
FOB,PFOB,DIAG,PSTEP=    0.1176099287E-07    0.9821488435E-08     586.3434916       -0.1675038444E-10
J1,K1,R1,R2,RAT= 109 109   -0.4149795971E-01     2.041489396        0.9585020403    
FOB,PFOB,DIAG,PSTEP=   -0.5581459605E-05   -0.5359068254E-05     13.91140783        0.3852299685E-06
J1,K1,R1,R2,RAT= 110 110   -0.1475477580         2.147544458        0.8524522420    
FOB,PFOB,DIAG,PSTEP=    0.1063034885E-04    0.9263533057E-05     12.24422897       -0.7565644488E-06
J1,K1,R1,R2,RAT= 111 111   -0.4010356130         2.401048429        0.5989643870    
FOB,PFOB,DIAG,PSTEP=    0.2199150916E-05    0.1569663847E-05     10.08710311       -0.1556099677E-06
J1,K1,R1,R2,RAT= 112 112    0.3912670993         681.0127484        0.6087329007    
FOB,PFOB,DIAG,PSTEP=   -0.3108085899E-01   -0.3111659373E-01     9.133081998        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7848455061         1550.887408        0.2151544939    
FOB,PFOB,DIAG,PSTEP=    0.9994667748E-01    0.9984557018E-01     5.755421231       -0.2238315222E-04
J1,K1,R1,R2,RAT= 114 114    0.1437583291        -57910.67798        0.8562416709    
FOB,PFOB,DIAG,PSTEP=    0.9137176576        0.9137131212         3.155602460        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00001      0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03108      0.09995      0.91372 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3814517912
 Log product of positive Hessian eigenvalues =          519.0751009915
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1556024599
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000051
 Unscaled step for mode   56=        0.0000000088
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000016
 Unscaled step for mode   61=        0.0000000075
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000170
 Unscaled step for mode   64=        0.0000000017
 Unscaled step for mode   65=        0.0000000110
 Unscaled step for mode   66=       -0.0000000058
 Unscaled step for mode   67=        0.0000000160
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=        0.0000000126
 Unscaled step for mode   71=        0.0000000070
 Unscaled step for mode   72=        0.0000000086
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=        0.0000000007
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=        0.0000000163
 Unscaled step for mode   78=        0.0000000091
 Unscaled step for mode   79=        0.0000000085
 Unscaled step for mode   80=        0.0000000068
 Unscaled step for mode   81=       -0.0000000160
 Unscaled step for mode   82=        0.0000000161
 Unscaled step for mode   83=       -0.0000000025
 Unscaled step for mode   84=       -0.0000000069
 Unscaled step for mode   85=       -0.0000000309
 Unscaled step for mode   86=       -0.0000000090
 Unscaled step for mode   87=        0.0000000157
 Unscaled step for mode   88=        0.0000000175
 Unscaled step for mode   89=       -0.0000000349
 Unscaled step for mode   90=        0.0000000387
 Unscaled step for mode   91=        0.0000000513
 Unscaled step for mode   92=        0.0000000678
 Unscaled step for mode   93=        0.0000000639
 Unscaled step for mode   94=       -0.0000000109
 Unscaled step for mode   95=        0.0000000428
 Unscaled step for mode   96=        0.0000000271
 Unscaled step for mode   97=        0.0000000775
 Unscaled step for mode   98=       -0.0000000185
 Unscaled step for mode   99=       -0.0000000599
 Unscaled step for mode  100=       -0.0000000471
 Unscaled step for mode  101=        0.0000003526
 Unscaled step for mode  102=        0.0000000125
 Unscaled step for mode  103=       -0.0000000914
 Unscaled step for mode  104=        0.0000000342
 Unscaled step for mode  105=        0.0000002825
 Unscaled step for mode  106=       -0.0000002461
 Unscaled step for mode  107=       -0.0000011323
 Unscaled step for mode  108=       -0.0000015148
 Unscaled step for mode  109=        0.0000004012
 Unscaled step for mode  110=       -0.0000008682
 Unscaled step for mode  111=       -0.0000002180
 Unscaled step for mode  112=        0.0034030680
 Unscaled step for mode  113=       -0.0173604244
 Unscaled step for mode  114=        0.2686553405
 Largest modulus ratio of non-zero e/values=           236.6744761    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.140523E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.178384E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.305350E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.176183E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.656159E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.474200E-14    0.974313E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171442E-06    0.746851E+03  0.229553E-09 0.100000E-04    0.995266E+00
   8   -0.424679E-06    0.673997E+03  0.630091E-09 0.100000E-04    0.957181E+00
   9   -0.753865E-06    0.630821E+03  0.119505E-08 0.100000E-04    0.953732E+00
  10   -0.521434E-07    0.600621E+03  0.868158E-10 0.109000E-04    0.154067E+00
  11    0.117610E-07    0.586343E+03 -0.200582E-10 0.100000E-04    0.802524E+00
  12   -0.107873E-05    0.578898E+03  0.186342E-08 0.100000E-04    0.949847E+00
  13    0.462663E-07    0.564726E+03 -0.819270E-10 0.100000E-04    0.927880E+00
  14    0.452591E-06    0.487437E+03 -0.928510E-09 0.100000E-04    0.937814E+00
  15   -0.458091E-06    0.460549E+03  0.994662E-09 0.100000E-04    0.946931E+00
  16   -0.146674E-06    0.459748E+03  0.319032E-09 0.100000E-04    0.813928E+00
  17   -0.636559E-06    0.441638E+03  0.144136E-08 0.100000E-04    0.915011E+00
  18   -0.433841E-06    0.429442E+03  0.101024E-08 0.100000E-04    0.941546E+00
  19   -0.120864E-06    0.421877E+03  0.286493E-09 0.100000E-04    0.781805E+00
  20   -0.395708E-06    0.407870E+03  0.970180E-09 0.100000E-04    0.931442E+00
  21   -0.453937E-06    0.396311E+03  0.114541E-08 0.100000E-04    0.927732E+00
  22   -0.643615E-06    0.387403E+03  0.166136E-08 0.100000E-04    0.994972E+00
  23    0.853931E-06    0.370051E+03 -0.230760E-08 0.100000E-04    0.931128E+00
  24   -0.438203E-06    0.360576E+03  0.121529E-08 0.100000E-04    0.982974E+00
  25   -0.537294E-07    0.349312E+03  0.153815E-09 0.100000E-04    0.610180E+00
  26   -0.819074E-08    0.335327E+03  0.244261E-10 0.109000E-04    0.142420E+00
  27    0.405852E-06    0.329344E+03 -0.123231E-08 0.100000E-04    0.899394E+00
  28   -0.427313E-06    0.321819E+03  0.132781E-08 0.100000E-04    0.906943E+00
  29   -0.141645E-06    0.319156E+03  0.443810E-09 0.100000E-04    0.264720E+00
  30   -0.142527E-05    0.309341E+03  0.460745E-08 0.100000E-04    0.968411E+00
  31   -0.108533E-05    0.300791E+03  0.360826E-08 0.100000E-04    0.961535E+00
  32   -0.128291E-05    0.290604E+03  0.441462E-08 0.100000E-04    0.974450E+00
  33   -0.661140E-07    0.279062E+03  0.236916E-09 0.100000E-04    0.863007E+00
  34   -0.135921E-08    0.272756E+03  0.498324E-11 0.109000E-04    0.298694E-01
  35    0.105674E-05    0.268549E+03 -0.393501E-08 0.100000E-04    0.975744E+00
  36    0.126677E-05    0.264969E+03 -0.478082E-08 0.100000E-04    0.986878E+00
  37   -0.541217E-06    0.263864E+03  0.205112E-08 0.100000E-04    0.903761E+00
  38   -0.136101E-06    0.253189E+03  0.537548E-09 0.100000E-04    0.974808E+00
  39   -0.372977E-06    0.241587E+03  0.154386E-08 0.100000E-04    0.915095E+00
  40   -0.126177E-05    0.240792E+03  0.524007E-08 0.100000E-04    0.989336E+00
  41   -0.984239E-06    0.234048E+03  0.420529E-08 0.100000E-04    0.992017E+00
  42   -0.175906E-05    0.227534E+03  0.773099E-08 0.100000E-04    0.970985E+00
  43   -0.938306E-08    0.217166E+03  0.432068E-10 0.100000E-04    0.912323E+00
  44   -0.201113E-05    0.214898E+03  0.935854E-08 0.100000E-04    0.973199E+00
  45    0.709545E-06    0.213248E+03 -0.332733E-08 0.100000E-04    0.982854E+00
  46    0.108876E-05    0.207698E+03 -0.524201E-08 0.100000E-04    0.985300E+00
  47   -0.766946E-06    0.202980E+03  0.377843E-08 0.100000E-04    0.969820E+00
  48   -0.128641E-05    0.195396E+03  0.658357E-08 0.100000E-04    0.936946E+00
  49    0.999993E-06    0.194858E+03 -0.513190E-08 0.100000E-04    0.953280E+00
  50    0.137511E-05    0.191383E+03 -0.718512E-08 0.100000E-04    0.886382E+00
  51    0.246598E-06    0.182993E+03 -0.134759E-08 0.100000E-04    0.871889E+00
  52   -0.640842E-06    0.174391E+03  0.367475E-08 0.100000E-04    0.937733E+00
  53   -0.113935E-06    0.172348E+03  0.661078E-09 0.100000E-04    0.853199E+00
  54   -0.210143E-06    0.168228E+03  0.124916E-08 0.100000E-04    0.943295E+00
  55    0.825994E-06    0.163207E+03 -0.506102E-08 0.100000E-04    0.990155E+00
  56   -0.138683E-05    0.156864E+03  0.884099E-08 0.100000E-04    0.976563E+00
  57   -0.404621E-06    0.154935E+03  0.261155E-08 0.100000E-04    0.830712E+00
  58   -0.919314E-06    0.152247E+03  0.603830E-08 0.100000E-04    0.996492E+00
  59   -0.631633E-06    0.146638E+03  0.430742E-08 0.100000E-04    0.997539E+00
  60    0.230927E-06    0.143329E+03 -0.161116E-08 0.100000E-04    0.706487E+00
  61   -0.103681E-05    0.138117E+03  0.750679E-08 0.100000E-04    0.818697E+00
  62    0.970975E-06    0.135873E+03 -0.714619E-08 0.100000E-04    0.975597E+00
  63    0.221679E-05    0.130280E+03 -0.170156E-07 0.100000E-04    0.924978E+00
  64   -0.216030E-06    0.128849E+03  0.167661E-08 0.100000E-04    0.224878E+00
  65   -0.139397E-05    0.126908E+03  0.109841E-07 0.100000E-04    0.889425E+00
  66    0.722313E-06    0.124023E+03 -0.582401E-08 0.100000E-04    0.889666E+00
  67   -0.192084E-05    0.120020E+03  0.160044E-07 0.100000E-04    0.965959E+00
  68    0.470663E-06    0.118174E+03 -0.398282E-08 0.100000E-04    0.937207E+00
  69   -0.686390E-07    0.116818E+03  0.587570E-09 0.100000E-04    0.245269E+01
  70   -0.139149E-05    0.110374E+03  0.126070E-07 0.100000E-04    0.950657E+00
  71   -0.752677E-06    0.106819E+03  0.704630E-08 0.100000E-04    0.921043E+00
  72   -0.902416E-06    0.104464E+03  0.863857E-08 0.100000E-04    0.876243E+00
  73    0.173082E-06    0.102859E+03 -0.168271E-08 0.100000E-04    0.730207E+00
  74    0.330963E-07    0.995093E+02 -0.332595E-09 0.100000E-04    0.456801E+00
  75   -0.659172E-07    0.960813E+02  0.686056E-09 0.100000E-04    0.348863E+00
  76    0.197228E-06    0.940931E+02 -0.209609E-08 0.100000E-04    0.866105E+00
  77   -0.149434E-05    0.919502E+02  0.162517E-07 0.100000E-04    0.963182E+00
  78   -0.826322E-06    0.912411E+02  0.905647E-08 0.100000E-04    0.975327E+00
  79   -0.752171E-06    0.883959E+02  0.850912E-08 0.100000E-04    0.987692E+00
  80   -0.579331E-06    0.856227E+02  0.676610E-08 0.100000E-04    0.919011E+00
  81    0.129236E-05    0.808384E+02 -0.159870E-07 0.100000E-04    0.995589E+00
  82   -0.129980E-05    0.805325E+02  0.161400E-07 0.100000E-04    0.937702E+00
  83    0.196640E-06    0.779467E+02 -0.252276E-08 0.100000E-04    0.788888E+00
  84    0.503502E-06    0.732755E+02 -0.687135E-08 0.100000E-04    0.414982E+00
  85    0.223851E-05    0.725302E+02 -0.308631E-07 0.100000E-04    0.892203E+00
  86    0.611677E-06    0.679039E+02 -0.900798E-08 0.100000E-04    0.846014E+00
  87   -0.101914E-05    0.647331E+02  0.157437E-07 0.100000E-04    0.788032E+00
  88   -0.107100E-05    0.613287E+02  0.174632E-07 0.100000E-04    0.959817E+00
  89    0.209018E-05    0.598254E+02 -0.349380E-07 0.100000E-04    0.949489E+00
  90   -0.230063E-05    0.594049E+02  0.387280E-07 0.100000E-04    0.980237E+00
  91   -0.298194E-05    0.581343E+02  0.512939E-07 0.100000E-04    0.930881E+00
  92   -0.378631E-05    0.558641E+02  0.677771E-07 0.100000E-04    0.954669E+00
  93   -0.335218E-05    0.524411E+02  0.639227E-07 0.100000E-04    0.986787E+00
  94    0.567265E-06    0.520126E+02 -0.109063E-07 0.100000E-04    0.851104E+00
  95   -0.215374E-05    0.502680E+02  0.428451E-07 0.100000E-04    0.885294E+00
  96   -0.124965E-05    0.461387E+02  0.270845E-07 0.100000E-04    0.933773E+00
  97   -0.336232E-05    0.433668E+02  0.775322E-07 0.100000E-04    0.889417E+00
  98    0.755778E-06    0.409215E+02 -0.184690E-07 0.100000E-04    0.560917E+00
  99    0.226989E-05    0.378659E+02 -0.599456E-07 0.100000E-04    0.799070E+00
 100    0.170312E-05    0.361921E+02 -0.470577E-07 0.100000E-04    0.894997E+00
 101   -0.113731E-04    0.322511E+02  0.352643E-06 0.100000E-04    0.947386E+00
 102   -0.361139E-06    0.289170E+02  0.124888E-07 0.100000E-04    0.839616E+00
 103    0.260129E-05    0.284554E+02 -0.914162E-07 0.100000E-04    0.963489E+00
 104   -0.898568E-06    0.263119E+02  0.341506E-07 0.100000E-04    0.759666E+00
 105   -0.658912E-05    0.233284E+02  0.282451E-06 0.100000E-04    0.935000E+00
 106    0.525222E-05    0.213380E+02 -0.246144E-06 0.100000E-04    0.969207E+00
 107    0.224753E-04    0.198495E+02 -0.113229E-05 0.100000E-04    0.927681E+00
 108    0.249197E-04    0.164511E+02 -0.151478E-05 0.100000E-04    0.937496E+00
 109   -0.558146E-05    0.139114E+02  0.401215E-06 0.100000E-04    0.958502E+00
 110    0.106303E-04    0.122442E+02 -0.868193E-06 0.100000E-04    0.852452E+00
 111    0.219915E-05    0.100871E+02 -0.218016E-06 0.100000E-04    0.598964E+00
 112   -0.310809E-01    0.913308E+01  0.100000E-04 0.100000E-04    0.608733E+00
 113    0.999467E-01    0.575542E+01 -0.201650E-04 0.201650E-04    0.215154E+00
 114    0.913718E+00    0.315560E+01  0.100000E-04 0.100000E-04    0.856242E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2016500200E-04    0.2686553405    

 Beginning of optimization cycle  652.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991426001
 potential> RMS force:                                               0.0861386128   |gradient|=.9197087094    
 Eigenvalues of the Hessian matrix:
   746.85434    673.99575    630.82424    600.61856    586.34300    578.89840 
   564.72251    487.43714    460.54810    459.74711    441.63794    429.44274 
   421.87595    407.86887    396.31052    387.40178    370.05182    360.57581 
   349.31139    335.32757    329.34444    321.81886    319.15676    309.33994 
   300.79026    290.60390    279.06295    272.75694    268.54922    264.96882 
   263.86409    253.18839    241.58777    240.79265    234.04855    227.53433 
   217.16712    214.89853    213.24730    207.69887    202.97955    195.39560 
   194.85858    191.38381    182.99327    174.39138    172.34806    168.22851 
   163.20675    156.86384    154.93542    152.24694    146.63773    143.32904 
   138.11700    135.87310    130.27956    128.84960    126.90776    124.02224 
   120.01980    118.17367    116.81807    110.37416    106.81868    104.46389 
   102.85883     99.50923     96.08108     94.09293     91.94980     91.24129 
    88.39544     85.62295     80.83844     80.53314     77.94650     73.27534 
    72.52963     67.90366     64.73262     61.32828     59.82517     59.40498 
    58.13431     55.86389     52.44098     52.01224     50.26861     46.13835 
    43.36730     40.92160     37.86586     36.19183     32.25076     28.91734 
    28.45547     26.31221     23.32828     21.33826     19.84940     16.45099 
    13.91147     12.24425     10.08704      9.13455      5.75559      3.15530 
overlap for current and previous eigenvector    109 is         0.9999999894
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999646
overlap for current and previous eigenvector    112 is         0.9999999336
overlap for current and previous eigenvector    113 is         0.9999999391
overlap for current and previous eigenvector    114 is         0.9999999691
J1,K1,R1,R2,RAT=   7   7   -0.1179047304E-01     2.011780341        0.9882095270    
FOB,PFOB,DIAG,PSTEP=   -0.1734629771E-06   -0.1714415894E-06     746.8543425        0.2295527363E-09
J1,K1,R1,R2,RAT=   8   8    0.4924039199E-01     1.950763228        0.9507596080    
FOB,PFOB,DIAG,PSTEP=   -0.4037679276E-06   -0.4246792631E-06     673.9957544        0.6300907562E-09
J1,K1,R1,R2,RAT=   9   9    0.5378401395E-01     1.946206841        0.9462068413    
FOB,PFOB,DIAG,PSTEP=   -0.7133191777E-06   -0.7538652629E-06     630.8242356        0.1195053499E-08
J1,K1,R1,R2,RAT=  10  10    0.5311408520         1.468866699        0.4688591480    
FOB,PFOB,DIAG,PSTEP=   -0.2444801295E-07   -0.5214339634E-07     600.6185635        0.8681583062E-10
J1,K1,R1,R2,RAT=  11  11    0.2951308434         1.704870828        0.7048691566    
FOB,PFOB,DIAG,PSTEP=    0.8289964023E-08    0.1176099287E-07     586.3430017       -0.2005819632E-10
J1,K1,R1,R2,RAT= 109 109    0.4564439653E-01     1.954347206        0.9543472063    
FOB,PFOB,DIAG,PSTEP=   -0.5326696180E-05   -0.5581459605E-05     13.91146624        0.4012145767E-06
J1,K1,R1,R2,RAT= 110 110    0.1529407815         1.847055854        0.8470558543    
FOB,PFOB,DIAG,PSTEP=    0.9004532251E-05    0.1063034885E-04     12.24424957       -0.8681925886E-06
J1,K1,R1,R2,RAT= 111 111    0.2818286073         1.718184703        0.7181713927    
FOB,PFOB,DIAG,PSTEP=    0.1579371401E-05    0.2199150916E-05     10.08703598       -0.2180161036E-06
J1,K1,R1,R2,RAT= 112 112    0.4278049365         680.0840715        0.5721950635    
FOB,PFOB,DIAG,PSTEP=   -0.3104178092E-01   -0.3108085899E-01     9.134552993        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8439187219         1723.151076        0.1560812781    
FOB,PFOB,DIAG,PSTEP=    0.1000446239        0.9994667748E-01     5.755585123       -0.2016500200E-04
J1,K1,R1,R2,RAT= 114 114    0.2017298159        -57916.58781        0.7982701841    
FOB,PFOB,DIAG,PSTEP=    0.9137240228        0.9137176576         3.155299284        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00001      0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03104      0.10004      0.91372 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3814298888
 Log product of positive Hessian eigenvalues =          519.0751676393
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1552992842
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000051
 Unscaled step for mode   56=        0.0000000086
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=        0.0000000061
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=       -0.0000000156
 Unscaled step for mode   64=        0.0000000008
 Unscaled step for mode   65=        0.0000000097
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=        0.0000000154
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=        0.0000000119
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=        0.0000000101
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000022
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=       -0.0000000087
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000062
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000150
 Unscaled step for mode   83=       -0.0000000033
 Unscaled step for mode   84=       -0.0000000039
 Unscaled step for mode   85=       -0.0000000274
 Unscaled step for mode   86=       -0.0000000075
 Unscaled step for mode   87=        0.0000000124
 Unscaled step for mode   88=        0.0000000182
 Unscaled step for mode   89=       -0.0000000330
 Unscaled step for mode   90=        0.0000000377
 Unscaled step for mode   91=        0.0000000469
 Unscaled step for mode   92=        0.0000000641
 Unscaled step for mode   93=        0.0000000627
 Unscaled step for mode   94=       -0.0000000130
 Unscaled step for mode   95=        0.0000000378
 Unscaled step for mode   96=        0.0000000248
 Unscaled step for mode   97=        0.0000000682
 Unscaled step for mode   98=       -0.0000000120
 Unscaled step for mode   99=       -0.0000000482
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003302
 Unscaled step for mode  102=        0.0000000026
 Unscaled step for mode  103=       -0.0000000876
 Unscaled step for mode  104=        0.0000000479
 Unscaled step for mode  105=        0.0000002612
 Unscaled step for mode  106=       -0.0000002367
 Unscaled step for mode  107=       -0.0000010384
 Unscaled step for mode  108=       -0.0000014049
 Unscaled step for mode  109=        0.0000003829
 Unscaled step for mode  110=       -0.0000007354
 Unscaled step for mode  111=       -0.0000001566
 Unscaled step for mode  112=        0.0033982421
 Unscaled step for mode  113=       -0.0173769326
 Unscaled step for mode  114=        0.2686792980
 Largest modulus ratio of non-zero e/values=           236.6984160    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.796889E-16    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.222711E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.395411E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.674536E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.111716E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.383620E-14    0.974313E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173463E-06    0.746854E+03  0.232258E-09 0.100000E-04    0.988210E+00
   8   -0.403768E-06    0.673996E+03  0.599066E-09 0.100000E-04    0.950760E+00
   9   -0.713319E-06    0.630824E+03  0.113077E-08 0.100000E-04    0.946207E+00
  10   -0.244480E-07    0.600619E+03  0.407047E-10 0.100000E-04    0.468859E+00
  11    0.828996E-08    0.586343E+03 -0.141384E-10 0.100000E-04    0.704869E+00
  12   -0.101729E-05    0.578898E+03  0.175728E-08 0.100000E-04    0.943041E+00
  13    0.502341E-07    0.564723E+03 -0.889536E-10 0.100000E-04    0.914241E+00
  14    0.422001E-06    0.487437E+03 -0.865755E-09 0.100000E-04    0.932412E+00
  15   -0.430105E-06    0.460548E+03  0.933897E-09 0.100000E-04    0.938906E+00
  16   -0.119236E-06    0.459747E+03  0.259352E-09 0.100000E-04    0.812931E+00
  17   -0.578020E-06    0.441638E+03  0.130881E-08 0.100000E-04    0.908038E+00
  18   -0.404376E-06    0.429443E+03  0.941629E-09 0.100000E-04    0.932077E+00
  19   -0.160307E-06    0.421876E+03  0.379986E-09 0.100000E-04    0.673662E+00
  20   -0.365173E-06    0.407869E+03  0.895319E-09 0.100000E-04    0.922834E+00
  21   -0.417336E-06    0.396311E+03  0.105305E-08 0.100000E-04    0.919371E+00
  22   -0.637904E-06    0.387402E+03  0.164662E-08 0.100000E-04    0.991126E+00
  23    0.788475E-06    0.370052E+03 -0.213071E-08 0.100000E-04    0.923345E+00
  24   -0.428767E-06    0.360576E+03  0.118912E-08 0.100000E-04    0.978466E+00
  25   -0.934953E-07    0.349311E+03  0.267656E-09 0.100000E-04    0.259885E+00
  26   -0.678828E-07    0.335328E+03  0.202437E-09 0.100000E-04    0.628773E+01
  27    0.360617E-06    0.329344E+03 -0.109495E-08 0.100000E-04    0.888538E+00
  28   -0.382482E-06    0.321819E+03  0.118850E-08 0.100000E-04    0.895085E+00
  29   -0.664061E-07    0.319157E+03  0.208067E-09 0.100000E-04    0.468819E+00
  30   -0.136723E-05    0.309340E+03  0.441984E-08 0.100000E-04    0.959277E+00
  31   -0.103638E-05    0.300790E+03  0.344553E-08 0.100000E-04    0.954899E+00
  32   -0.124197E-05    0.290604E+03  0.427377E-08 0.100000E-04    0.968094E+00
  33   -0.145204E-07    0.279063E+03  0.520326E-10 0.100000E-04    0.219620E+00
  34   -0.552245E-07    0.272757E+03  0.202468E-09 0.100000E-04    0.386297E+02
  35    0.102321E-05    0.268549E+03 -0.381015E-08 0.100000E-04    0.968269E+00
  36    0.124539E-05    0.264969E+03 -0.470013E-08 0.100000E-04    0.983123E+00
  37   -0.485240E-06    0.263864E+03  0.183898E-08 0.100000E-04    0.896567E+00
  38   -0.139718E-06    0.253188E+03  0.551834E-09 0.100000E-04    0.973427E+00
  39   -0.416673E-06    0.241588E+03  0.172473E-08 0.100000E-04    0.882845E+00
  40   -0.124365E-05    0.240793E+03  0.516481E-08 0.100000E-04    0.985635E+00
  41   -0.993801E-06    0.234049E+03  0.424613E-08 0.100000E-04    0.990285E+00
  42   -0.169342E-05    0.227534E+03  0.744250E-08 0.100000E-04    0.962682E+00
  43   -0.669054E-08    0.217167E+03  0.308082E-10 0.100000E-04    0.713039E+00
  44   -0.194589E-05    0.214899E+03  0.905493E-08 0.100000E-04    0.967557E+00
  45    0.721647E-06    0.213247E+03 -0.338408E-08 0.100000E-04    0.982943E+00
  46    0.107113E-05    0.207699E+03 -0.515713E-08 0.100000E-04    0.983806E+00
  47   -0.740518E-06    0.202980E+03  0.364824E-08 0.100000E-04    0.965541E+00
  48   -0.119080E-05    0.195396E+03  0.609430E-08 0.100000E-04    0.925680E+00
  49    0.947904E-06    0.194859E+03 -0.486457E-08 0.100000E-04    0.947907E+00
  50    0.120589E-05    0.191384E+03 -0.630089E-08 0.100000E-04    0.876934E+00
  51    0.212605E-06    0.182993E+03 -0.116182E-08 0.100000E-04    0.862145E+00
  52   -0.593994E-06    0.174391E+03  0.340610E-08 0.100000E-04    0.926888E+00
  53   -0.138342E-06    0.172348E+03  0.802688E-09 0.100000E-04    0.785789E+00
  54   -0.224396E-06    0.168229E+03  0.133388E-08 0.100000E-04    0.932176E+00
  55    0.831044E-06    0.163207E+03 -0.509197E-08 0.100000E-04    0.993886E+00
  56   -0.134799E-05    0.156864E+03  0.859337E-08 0.100000E-04    0.971991E+00
  57   -0.337033E-06    0.154935E+03  0.217531E-08 0.100000E-04    0.832953E+00
  58   -0.920010E-06    0.152247E+03  0.604288E-08 0.100000E-04    0.999244E+00
  59   -0.630879E-06    0.146638E+03  0.430230E-08 0.100000E-04    0.998807E+00
  60    0.170212E-06    0.143329E+03 -0.118756E-08 0.100000E-04    0.737081E+00
  61   -0.847946E-06    0.138117E+03  0.613933E-08 0.100000E-04    0.817834E+00
  62    0.940272E-06    0.135873E+03 -0.692022E-08 0.100000E-04    0.968379E+00
  63    0.202899E-05    0.130280E+03 -0.155741E-07 0.100000E-04    0.915282E+00
  64   -0.102155E-06    0.128850E+03  0.792826E-09 0.100000E-04    0.472872E+00
  65   -0.123037E-05    0.126908E+03  0.969502E-08 0.100000E-04    0.882635E+00
  66    0.639407E-06    0.124022E+03 -0.515559E-08 0.100000E-04    0.885221E+00
  67   -0.184268E-05    0.120020E+03  0.153531E-07 0.100000E-04    0.959307E+00
  68    0.437372E-06    0.118174E+03 -0.370109E-08 0.100000E-04    0.929265E+00
  69   -0.946252E-08    0.116818E+03  0.810022E-10 0.109000E-04    0.137856E+00
  70   -0.131203E-05    0.110374E+03  0.118871E-07 0.100000E-04    0.942890E+00
  71   -0.687183E-06    0.106819E+03  0.643318E-08 0.100000E-04    0.912985E+00
  72   -0.105354E-05    0.104464E+03  0.100852E-07 0.100000E-04    0.832538E+00
  73    0.128906E-06    0.102859E+03 -0.125323E-08 0.100000E-04    0.744769E+00
  74    0.777415E-07    0.995092E+02 -0.781249E-09 0.100000E-04    0.348949E+00
  75   -0.208815E-06    0.960811E+02  0.217333E-08 0.100000E-04    0.116785E+01
  76    0.167966E-06    0.940929E+02 -0.178511E-08 0.100000E-04    0.851635E+00
  77   -0.155966E-05    0.919498E+02  0.169620E-07 0.100000E-04    0.956294E+00
  78    0.798037E-06    0.912413E+02 -0.874645E-08 0.100000E-04    0.965766E+00
  79   -0.737989E-06    0.883954E+02  0.834872E-08 0.100000E-04    0.981145E+00
  80   -0.529232E-06    0.856229E+02  0.618096E-08 0.100000E-04    0.913515E+00
  81    0.128206E-05    0.808384E+02 -0.158595E-07 0.100000E-04    0.992023E+00
  82   -0.120779E-05    0.805331E+02  0.149974E-07 0.100000E-04    0.929199E+00
  83    0.257800E-06    0.779465E+02 -0.330740E-08 0.100000E-04    0.688978E+00
  84    0.282234E-06    0.732753E+02 -0.385169E-08 0.100000E-04    0.560542E+00
  85    0.198491E-05    0.725296E+02 -0.273669E-07 0.100000E-04    0.886711E+00
  86    0.511962E-06    0.679037E+02 -0.753954E-08 0.100000E-04    0.836980E+00
  87   -0.802792E-06    0.647326E+02  0.124017E-07 0.100000E-04    0.787715E+00
  88   -0.111655E-05    0.613283E+02  0.182061E-07 0.100000E-04    0.957466E+00
  89    0.197163E-05    0.598252E+02 -0.329565E-07 0.100000E-04    0.943281E+00
  90   -0.224116E-05    0.594050E+02  0.377268E-07 0.100000E-04    0.974147E+00
  91   -0.272898E-05    0.581343E+02  0.469426E-07 0.100000E-04    0.915169E+00
  92   -0.357917E-05    0.558639E+02  0.640694E-07 0.100000E-04    0.945293E+00
  93   -0.328715E-05    0.524410E+02  0.626828E-07 0.100000E-04    0.980601E+00
  94    0.676953E-06    0.520122E+02 -0.130153E-07 0.100000E-04    0.806636E+00
  95   -0.189948E-05    0.502686E+02  0.377866E-07 0.100000E-04    0.881923E+00
  96   -0.114454E-05    0.461383E+02  0.248067E-07 0.100000E-04    0.915890E+00
  97   -0.295851E-05    0.433673E+02  0.682199E-07 0.100000E-04    0.879879E+00
  98    0.491318E-06    0.409216E+02 -0.120063E-07 0.100000E-04    0.650079E+00
  99    0.182430E-05    0.378659E+02 -0.481780E-07 0.100000E-04    0.803696E+00
 100    0.150961E-05    0.361918E+02 -0.417114E-07 0.100000E-04    0.886379E+00
 101   -0.106496E-04    0.322508E+02  0.330212E-06 0.100000E-04    0.936382E+00
 102   -0.747993E-07    0.289173E+02  0.258666E-08 0.100000E-04    0.207107E+00
 103    0.249352E-05    0.284555E+02 -0.876289E-07 0.100000E-04    0.958569E+00
 104   -0.125950E-05    0.263122E+02  0.478675E-07 0.100000E-04    0.598330E+00
 105   -0.609376E-05    0.233283E+02  0.261218E-06 0.100000E-04    0.924820E+00
 106    0.505070E-05    0.213383E+02 -0.236697E-06 0.100000E-04    0.961609E+00
 107    0.206120E-04    0.198494E+02 -0.103842E-05 0.100000E-04    0.917093E+00
 108    0.231112E-04    0.164510E+02 -0.140485E-05 0.100000E-04    0.927428E+00
 109   -0.532670E-05    0.139115E+02  0.382900E-06 0.100000E-04    0.954347E+00
 110    0.900453E-05    0.122442E+02 -0.735409E-06 0.100000E-04    0.847056E+00
 111    0.157937E-05    0.100870E+02 -0.156574E-06 0.100000E-04    0.718171E+00
 112   -0.310418E-01    0.913455E+01  0.100000E-04 0.100000E-04    0.572195E+00
 113    0.100045E+00    0.575559E+01 -0.219799E-04 0.219799E-04    0.156081E+00
 114    0.913724E+00    0.315530E+01  0.100000E-04 0.100000E-04    0.798270E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2197985218E-04    0.2686792980    

 Beginning of optimization cycle  653.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991359703
 potential> RMS force:                                               0.0861399713   |gradient|=.9197232144    
 Eigenvalues of the Hessian matrix:
   746.85821    673.99433    630.82721    600.61632    586.34245    578.89855 
   564.71836    487.43672    460.54679    459.74656    441.63735    429.44410 
   421.87532    407.86721    396.30994    387.40034    370.05229    360.57599 
   349.31070    335.32823    329.34533    321.81858    319.15750    309.33878 
   300.78971    290.60398    279.06448    272.75741    268.54952    264.96915 
   263.86473    253.18782    241.58815    240.79301    234.04937    227.53468 
   217.16790    214.89867    213.24701    207.69938    202.97914    195.39479 
   194.85897    191.38428    182.99404    174.39214    172.34831    168.22880 
   163.20642    156.86362    154.93594    152.24675    146.63713    143.32862 
   138.11754    135.87310    130.27930    128.84981    126.90796    124.02109 
   120.01999    118.17379    116.81762    110.37441    106.81851    104.46411 
   102.85891     99.50916     96.08087     94.09268     91.94940     91.24151 
    88.39491     85.62326     80.83853     80.53383     77.94627     73.27510 
    72.52903     67.90333     64.73216     61.32784     59.82491     59.40507 
    58.13426     55.86364     52.44087     52.01185     50.26921     46.13791 
    43.36788     40.92171     37.86580     36.19144     32.25038     28.91768 
    28.45554     26.31250     23.32818     21.33849     19.84931     16.45088 
    13.91153     12.24427     10.08697      9.13611      5.75577      3.15499 
overlap for current and previous eigenvector    109 is         0.9999999880
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999585
overlap for current and previous eigenvector    112 is         0.9999999243
overlap for current and previous eigenvector    113 is         0.9999999327
overlap for current and previous eigenvector    114 is         0.9999999654
J1,K1,R1,R2,RAT=   7   7    0.4315132870E-02     1.995674516        0.9956745164    
FOB,PFOB,DIAG,PSTEP=   -0.1727144574E-06   -0.1734629771E-06     746.8582078        0.2322581087E-09
J1,K1,R1,R2,RAT=   8   8   -0.4241773628E-01     2.042421966        0.9575822637    
FOB,PFOB,DIAG,PSTEP=   -0.4208948129E-06   -0.4037679276E-06     673.9943289        0.5990659807E-09
J1,K1,R1,R2,RAT=   9   9   -0.4592141153E-01     2.045911983        0.9540785885    
FOB,PFOB,DIAG,PSTEP=   -0.7460759557E-06   -0.7133191777E-06     630.8272096        0.1130773261E-08
J1,K1,R1,R2,RAT=  10  10   -0.9615518336         2.961559304        0.3844816642E-01
FOB,PFOB,DIAG,PSTEP=   -0.4795595682E-07   -0.2444801295E-07     600.6163201        0.4070472415E-10
J1,K1,R1,R2,RAT=  11  11   -0.2219143189         2.221916209        0.7780856811    
FOB,PFOB,DIAG,PSTEP=    0.1012962401E-07    0.8289964023E-08     586.3424477       -0.1413842068E-10
J1,K1,R1,R2,RAT= 109 109   -0.4150702481E-01     2.041498450        0.9584929752    
FOB,PFOB,DIAG,PSTEP=   -0.5547792438E-05   -0.5326696180E-05     13.91152589        0.3828996949E-06
J1,K1,R1,R2,RAT= 110 110   -0.1491339741         2.149130567        0.8508660259    
FOB,PFOB,DIAG,PSTEP=    0.1034741622E-04    0.9004532251E-05     12.24427043       -0.7354090752E-06
J1,K1,R1,R2,RAT= 111 111   -0.3984673610         2.398480078        0.6015326390    
FOB,PFOB,DIAG,PSTEP=    0.2208695354E-05    0.1579371401E-05     10.08697184       -0.1565743797E-06
J1,K1,R1,R2,RAT= 112 112    0.3983391219         679.1424332        0.6016608781    
FOB,PFOB,DIAG,PSTEP=   -0.3100538824E-01   -0.3104178092E-01     9.136105495        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7895816659         1582.386749        0.2104183341    
FOB,PFOB,DIAG,PSTEP=    0.1001445145        0.1000446239         5.755765685       -0.2197985218E-04
J1,K1,R1,R2,RAT= 114 114    0.1550876033        -57922.70512        0.8449123967    
FOB,PFOB,DIAG,PSTEP=    0.9137289158        0.9137240228         3.154985485        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001     -0.00001     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03101      0.10014      0.91373 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3814094468
 Log product of positive Hessian eigenvalues =          519.0752389758
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1549854845
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=        0.0000000088
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000043
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000073
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000167
 Unscaled step for mode   64=        0.0000000015
 Unscaled step for mode   65=        0.0000000108
 Unscaled step for mode   66=       -0.0000000057
 Unscaled step for mode   67=        0.0000000159
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=        0.0000000125
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=        0.0000000089
 Unscaled step for mode   73=       -0.0000000016
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=        0.0000000009
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=        0.0000000090
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000067
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000159
 Unscaled step for mode   83=       -0.0000000026
 Unscaled step for mode   84=       -0.0000000063
 Unscaled step for mode   85=       -0.0000000303
 Unscaled step for mode   86=       -0.0000000087
 Unscaled step for mode   87=        0.0000000151
 Unscaled step for mode   88=        0.0000000175
 Unscaled step for mode   89=       -0.0000000346
 Unscaled step for mode   90=        0.0000000385
 Unscaled step for mode   91=        0.0000000502
 Unscaled step for mode   92=        0.0000000669
 Unscaled step for mode   93=        0.0000000635
 Unscaled step for mode   94=       -0.0000000111
 Unscaled step for mode   95=        0.0000000421
 Unscaled step for mode   96=        0.0000000264
 Unscaled step for mode   97=        0.0000000758
 Unscaled step for mode   98=       -0.0000000176
 Unscaled step for mode   99=       -0.0000000580
 Unscaled step for mode  100=       -0.0000000461
 Unscaled step for mode  101=        0.0000003473
 Unscaled step for mode  102=        0.0000000105
 Unscaled step for mode  103=       -0.0000000908
 Unscaled step for mode  104=        0.0000000374
 Unscaled step for mode  105=        0.0000002780
 Unscaled step for mode  106=        0.0000002439
 Unscaled step for mode  107=        0.0000011128
 Unscaled step for mode  108=       -0.0000014918
 Unscaled step for mode  109=        0.0000003988
 Unscaled step for mode  110=       -0.0000008451
 Unscaled step for mode  111=       -0.0000002190
 Unscaled step for mode  112=        0.0033936814
 Unscaled step for mode  113=       -0.0173937269
 Unscaled step for mode  114=        0.2687036675
 Largest modulus ratio of non-zero e/values=           236.7231835    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.740835E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.141163E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.114837E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.293602E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.129779E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.426288E-14    0.974314E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172714E-06    0.746858E+03  0.231255E-09 0.100000E-04    0.995675E+00
   8   -0.420895E-06    0.673994E+03  0.624478E-09 0.100000E-04    0.957582E+00
   9   -0.746076E-06    0.630827E+03  0.118269E-08 0.100000E-04    0.954079E+00
  10   -0.479560E-07    0.600616E+03  0.798446E-10 0.109000E-04    0.384482E-01
  11    0.101296E-07    0.586342E+03 -0.172760E-10 0.100000E-04    0.778086E+00
  12   -0.106792E-05    0.578899E+03  0.184474E-08 0.100000E-04    0.950231E+00
  13    0.466918E-07    0.564718E+03 -0.826816E-10 0.100000E-04    0.929484E+00
  14    0.448043E-06    0.487437E+03 -0.919182E-09 0.100000E-04    0.938289E+00
  15   -0.452787E-06    0.460547E+03  0.983152E-09 0.100000E-04    0.947262E+00
  16   -0.141822E-06    0.459747E+03  0.308479E-09 0.100000E-04    0.810577E+00
  17   -0.626965E-06    0.441637E+03  0.141964E-08 0.100000E-04    0.915322E+00
  18   -0.427994E-06    0.429444E+03  0.996623E-09 0.100000E-04    0.941594E+00
  19   -0.127185E-06    0.421875E+03  0.301475E-09 0.100000E-04    0.793381E+00
  20   -0.390085E-06    0.407867E+03  0.956402E-09 0.100000E-04    0.931779E+00
  21   -0.447456E-06    0.396310E+03  0.112906E-08 0.100000E-04    0.927829E+00
  22   -0.641017E-06    0.387400E+03  0.165466E-08 0.100000E-04    0.995119E+00
  23    0.842590E-06    0.370052E+03 -0.227695E-08 0.100000E-04    0.931367E+00
  24   -0.436032E-06    0.360576E+03  0.120926E-08 0.100000E-04    0.983057E+00
  25   -0.596386E-07    0.349311E+03  0.170732E-09 0.100000E-04    0.637878E+00
  26   -0.198152E-07    0.335328E+03  0.590920E-10 0.100000E-04    0.291901E+00
  27    0.396805E-06    0.329345E+03 -0.120483E-08 0.100000E-04    0.899652E+00
  28   -0.418102E-06    0.321819E+03  0.129919E-08 0.100000E-04    0.906869E+00
  29   -0.124956E-06    0.319157E+03  0.391519E-09 0.109000E-04    0.118303E+00
  30   -0.140932E-05    0.309339E+03  0.455591E-08 0.100000E-04    0.969218E+00
  31   -0.107566E-05    0.300790E+03  0.357612E-08 0.100000E-04    0.962102E+00
  32   -0.127307E-05    0.290604E+03  0.438078E-08 0.100000E-04    0.974960E+00
  33   -0.566380E-07    0.279064E+03  0.202957E-09 0.100000E-04    0.190057E+01
  34   -0.120948E-07    0.272757E+03  0.443427E-10 0.100000E-04    0.219009E+00
  35    0.104766E-05    0.268550E+03 -0.390117E-08 0.100000E-04    0.976111E+00
  36    0.126127E-05    0.264969E+03 -0.476006E-08 0.100000E-04    0.987249E+00
  37   -0.531906E-06    0.263865E+03  0.201583E-08 0.100000E-04    0.903828E+00
  38   -0.136340E-06    0.253188E+03  0.538494E-09 0.100000E-04    0.975824E+00
  39   -0.382804E-06    0.241588E+03  0.158453E-08 0.100000E-04    0.918712E+00
  40   -0.125655E-05    0.240793E+03  0.521836E-08 0.100000E-04    0.989629E+00
  41   -0.986190E-06    0.234049E+03  0.421360E-08 0.100000E-04    0.992335E+00
  42   -0.174157E-05    0.227535E+03  0.765409E-08 0.100000E-04    0.971569E+00
  43   -0.746108E-08    0.217168E+03  0.343563E-10 0.100000E-04    0.884831E+00
  44   -0.199730E-05    0.214899E+03  0.929416E-08 0.100000E-04    0.973579E+00
  45    0.709339E-06    0.213247E+03 -0.332637E-08 0.100000E-04    0.982944E+00
  46    0.108677E-05    0.207699E+03 -0.523242E-08 0.100000E-04    0.985398E+00
  47   -0.762538E-06    0.202979E+03  0.375673E-08 0.100000E-04    0.970264E+00
  48   -0.126549E-05    0.195395E+03  0.647660E-08 0.100000E-04    0.937274E+00
  49    0.991701E-06    0.194859E+03 -0.508933E-08 0.100000E-04    0.953796E+00
  50    0.134332E-05    0.191384E+03 -0.701896E-08 0.100000E-04    0.886035E+00
  51    0.239970E-06    0.182994E+03 -0.131136E-08 0.100000E-04    0.871288E+00
  52   -0.630764E-06    0.174392E+03  0.361693E-08 0.100000E-04    0.938098E+00
  53   -0.118908E-06    0.172348E+03  0.689928E-09 0.100000E-04    0.859520E+00
  54   -0.211844E-06    0.168229E+03  0.125926E-08 0.100000E-04    0.944059E+00
  55    0.822456E-06    0.163206E+03 -0.503936E-08 0.100000E-04    0.989666E+00
  56   -0.137929E-05    0.156864E+03  0.879291E-08 0.100000E-04    0.976782E+00
  57   -0.394794E-06    0.154936E+03  0.254811E-08 0.100000E-04    0.828620E+00
  58    0.916258E-06    0.152247E+03 -0.601824E-08 0.100000E-04    0.995922E+00
  59    0.629267E-06    0.146637E+03 -0.429132E-08 0.100000E-04    0.997444E+00
  60    0.222080E-06    0.143329E+03 -0.154945E-08 0.100000E-04    0.695275E+00
  61   -0.100415E-05    0.138118E+03  0.727024E-08 0.100000E-04    0.815789E+00
  62    0.963082E-06    0.135873E+03 -0.708810E-08 0.100000E-04    0.975741E+00
  63    0.218024E-05    0.130279E+03 -0.167351E-07 0.100000E-04    0.925454E+00
  64   -0.194496E-06    0.128850E+03  0.150947E-08 0.109000E-04    0.960807E-01
  65   -0.136685E-05    0.126908E+03  0.107704E-07 0.100000E-04    0.889080E+00
  66    0.709937E-06    0.124021E+03 -0.572432E-08 0.100000E-04    0.889694E+00
  67   -0.190453E-05    0.120020E+03  0.158684E-07 0.100000E-04    0.966436E+00
  68    0.464606E-06    0.118174E+03 -0.393155E-08 0.100000E-04    0.937732E+00
  69   -0.621190E-07    0.116818E+03  0.531760E-09 0.100000E-04    0.456476E+01
  70   -0.137614E-05    0.110374E+03  0.124679E-07 0.100000E-04    0.951138E+00
  71   -0.741369E-06    0.106819E+03  0.694045E-08 0.100000E-04    0.921149E+00
  72   -0.928800E-06    0.104464E+03  0.889109E-08 0.100000E-04    0.881598E+00
  73    0.164815E-06    0.102859E+03 -0.160234E-08 0.100000E-04    0.721436E+00
  74    0.386943E-07    0.995092E+02 -0.388852E-09 0.100000E-04    0.497730E+00
  75   -0.877613E-07    0.960809E+02  0.913411E-09 0.100000E-04    0.420280E+00
  76    0.190528E-06    0.940927E+02 -0.202490E-08 0.100000E-04    0.865675E+00
  77    0.150277E-05    0.919494E+02 -0.163434E-07 0.100000E-04    0.963525E+00
  78   -0.817536E-06    0.912415E+02  0.896013E-08 0.100000E-04    0.975567E+00
  79   -0.746772E-06    0.883949E+02  0.844813E-08 0.100000E-04    0.988099E+00
  80   -0.571947E-06    0.856233E+02  0.667981E-08 0.100000E-04    0.919288E+00
  81    0.128724E-05    0.808385E+02 -0.159236E-07 0.100000E-04    0.995954E+00
  82   -0.128240E-05    0.805338E+02  0.159237E-07 0.100000E-04    0.938227E+00
  83    0.206245E-06    0.779463E+02 -0.264599E-08 0.100000E-04    0.800018E+00
  84    0.464547E-06    0.732751E+02 -0.633976E-08 0.100000E-04    0.354036E+00
  85    0.219921E-05    0.725290E+02 -0.303218E-07 0.100000E-04    0.892035E+00
  86    0.592362E-06    0.679033E+02 -0.872360E-08 0.100000E-04    0.842957E+00
  87   -0.976911E-06    0.647322E+02  0.150916E-07 0.100000E-04    0.783106E+00
  88   -0.107175E-05    0.613278E+02  0.174758E-07 0.100000E-04    0.959878E+00
  89    0.207042E-05    0.598249E+02 -0.346080E-07 0.100000E-04    0.949895E+00
  90   -0.228528E-05    0.594051E+02  0.384694E-07 0.100000E-04    0.980317E+00
  91   -0.291573E-05    0.581343E+02  0.501551E-07 0.100000E-04    0.931567E+00
  92   -0.373913E-05    0.558636E+02  0.669332E-07 0.100000E-04    0.955307E+00
  93   -0.332871E-05    0.524409E+02  0.634755E-07 0.100000E-04    0.987356E+00
  94    0.578992E-06    0.520119E+02 -0.111319E-07 0.100000E-04    0.855291E+00
  95   -0.211744E-05    0.502692E+02  0.421221E-07 0.100000E-04    0.885252E+00
  96   -0.121840E-05    0.461379E+02  0.264079E-07 0.100000E-04    0.935463E+00
  97   -0.328747E-05    0.433679E+02  0.758043E-07 0.100000E-04    0.888811E+00
  98    0.719342E-06    0.409217E+02 -0.175785E-07 0.100000E-04    0.535896E+00
  99    0.219653E-05    0.378658E+02 -0.580082E-07 0.100000E-04    0.795963E+00
 100    0.166826E-05    0.361914E+02 -0.460955E-07 0.100000E-04    0.894905E+00
 101   -0.112014E-04    0.322504E+02  0.347328E-06 0.100000E-04    0.948180E+00
 102   -0.303680E-06    0.289177E+02  0.105015E-07 0.100000E-04    0.205990E+01
 103    0.258393E-05    0.284555E+02 -0.908060E-07 0.100000E-04    0.963741E+00
 104   -0.985029E-06    0.263125E+02  0.374358E-07 0.100000E-04    0.782059E+00
 105   -0.648570E-05    0.233282E+02  0.278020E-06 0.100000E-04    0.935682E+00
 106   -0.520390E-05    0.213385E+02  0.243874E-06 0.100000E-04    0.969668E+00
 107   -0.220879E-04    0.198493E+02  0.111278E-05 0.100000E-04    0.928396E+00
 108    0.245415E-04    0.164509E+02 -0.149180E-05 0.100000E-04    0.938114E+00
 109   -0.554779E-05    0.139115E+02  0.398791E-06 0.100000E-04    0.958493E+00
 110    0.103474E-04    0.122443E+02 -0.845082E-06 0.100000E-04    0.850866E+00
 111    0.220870E-05    0.100870E+02 -0.218965E-06 0.100000E-04    0.601533E+00
 112   -0.310054E-01    0.913611E+01  0.100000E-04 0.100000E-04    0.601661E+00
 113    0.100145E+00    0.575577E+01 -0.198017E-04 0.198017E-04    0.210418E+00
 114    0.913729E+00    0.315499E+01  0.100000E-04 0.100000E-04    0.844912E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1980166863E-04    0.2687036675    

 Beginning of optimization cycle  654.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991291244
 potential> RMS force:                                               0.0861414563   |gradient|=.9197390698    
 Eigenvalues of the Hessian matrix:
   746.86196    673.99314    630.83007    600.61406    586.34197    578.89869 
   564.71449    487.43642    460.54553    459.74604    441.63682    429.44529 
   421.87470    407.86565    396.30939    387.39895    370.05274    360.57614 
   349.30996    335.32885    329.34616    321.81836    319.15808    309.33766 
   300.78911    290.60403    279.06588    272.75786    268.54973    264.96946 
   263.86526    253.18721    241.58843    240.79337    234.05010    227.53496 
   217.16858    214.89881    213.24673    207.69985    202.97874    195.39400 
   194.85931    191.38473    182.99473    174.39284    172.34854    168.22906 
   163.20611    156.86340    154.93644    152.24658    146.63656    143.32824 
   138.11803    135.87310    130.27907    128.85001    126.90816    124.02002 
   120.02017    118.17393    116.81722    110.37464    106.81837    104.46433 
   102.85899     99.50910     96.08069     94.09247     91.94899     91.24171 
    88.39442     85.62354     80.83861     80.53447     77.94605     73.27492 
    72.52850     67.90306     64.73174     61.32740     59.82465     59.40517 
    58.13424     55.86344     52.44078     52.01150     50.26978     46.13751 
    43.36843     40.92182     37.86577     36.19114     32.25002     28.91801 
    28.45559     26.31278     23.32808     21.33874     19.84921     16.45079 
    13.91158     12.24429     10.08691      9.13756      5.75593      3.15468 
overlap for current and previous eigenvector    109 is         0.9999999896
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999652
overlap for current and previous eigenvector    112 is         0.9999999349
overlap for current and previous eigenvector    113 is         0.9999999407
overlap for current and previous eigenvector    114 is         0.9999999700
J1,K1,R1,R2,RAT=   7   7   -0.1165875999E-01     2.011648719        0.9883412400    
FOB,PFOB,DIAG,PSTEP=   -0.1747281039E-06   -0.1727144574E-06     746.8619574        0.2312546821E-09
J1,K1,R1,R2,RAT=   8   8    0.4877878716E-01     1.951224754        0.9512212128    
FOB,PFOB,DIAG,PSTEP=   -0.4003641107E-06   -0.4208948129E-06     673.9931356        0.6244782705E-09
J1,K1,R1,R2,RAT=   9   9    0.5328497963E-01     1.946705962        0.9467059619    
FOB,PFOB,DIAG,PSTEP=   -0.7063211335E-06   -0.7460759557E-06     630.8300668        0.1182694634E-08
J1,K1,R1,R2,RAT=  10  10    0.5679321136         1.432075419        0.4320678864    
FOB,PFOB,DIAG,PSTEP=   -0.2072033148E-07   -0.4795595682E-07     600.6140580        0.7984457834E-10
J1,K1,R1,R2,RAT=  11  11    0.3334637328         1.666537891        0.6665362672    
FOB,PFOB,DIAG,PSTEP=    0.6751764516E-08    0.1012962401E-07     586.3419715       -0.1727595204E-10
J1,K1,R1,R2,RAT= 109 109    0.4479965029E-01     1.955191939        0.9551919390    
FOB,PFOB,DIAG,PSTEP=   -0.5299252232E-05   -0.5547792438E-05     13.91158439        0.3987910804E-06
J1,K1,R1,R2,RAT= 110 110    0.1543280170         1.845668518        0.8456685183    
FOB,PFOB,DIAG,PSTEP=    0.8750517225E-05    0.1034741622E-04     12.24429164       -0.8450823004E-06
J1,K1,R1,R2,RAT= 111 111    0.2769827567         1.723030454        0.7230172433    
FOB,PFOB,DIAG,PSTEP=    0.1596928867E-05    0.2208695354E-05     10.08690521       -0.2189651551E-06
J1,K1,R1,R2,RAT= 112 112    0.4341716633         678.2017910        0.5658283367    
FOB,PFOB,DIAG,PSTEP=   -0.3096571554E-01   -0.3100538824E-01     9.137561209        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8492089618         1758.126067        0.1507910382    
FOB,PFOB,DIAG,PSTEP=    0.1002413048        0.1001445145         5.755925747       -0.1980166863E-04
J1,K1,R1,R2,RAT= 114 114    0.2121204090        -57928.61134        0.7878795910    
FOB,PFOB,DIAG,PSTEP=    0.9137356075        0.9137289158         3.154683810        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001     -0.00001     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03097      0.10024      0.91374 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3813873180
 Log product of positive Hessian eigenvalues =          519.0753047998
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1546838099
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000051
 Unscaled step for mode   56=        0.0000000086
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000043
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000059
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=       -0.0000000153
 Unscaled step for mode   64=        0.0000000006
 Unscaled step for mode   65=        0.0000000095
 Unscaled step for mode   66=       -0.0000000051
 Unscaled step for mode   67=        0.0000000152
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=        0.0000000118
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=        0.0000000103
 Unscaled step for mode   73=       -0.0000000012
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=        0.0000000024
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=        0.0000000087
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000061
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000148
 Unscaled step for mode   83=       -0.0000000034
 Unscaled step for mode   84=       -0.0000000034
 Unscaled step for mode   85=       -0.0000000269
 Unscaled step for mode   86=       -0.0000000073
 Unscaled step for mode   87=        0.0000000118
 Unscaled step for mode   88=        0.0000000182
 Unscaled step for mode   89=       -0.0000000327
 Unscaled step for mode   90=        0.0000000375
 Unscaled step for mode   91=        0.0000000459
 Unscaled step for mode   92=        0.0000000633
 Unscaled step for mode   93=        0.0000000623
 Unscaled step for mode   94=       -0.0000000132
 Unscaled step for mode   95=        0.0000000372
 Unscaled step for mode   96=        0.0000000242
 Unscaled step for mode   97=        0.0000000667
 Unscaled step for mode   98=       -0.0000000112
 Unscaled step for mode   99=       -0.0000000464
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=        0.0000003253
 Unscaled step for mode  102=        0.0000000008
 Unscaled step for mode  103=       -0.0000000871
 Unscaled step for mode  104=        0.0000000510
 Unscaled step for mode  105=        0.0000002571
 Unscaled step for mode  106=        0.0000002346
 Unscaled step for mode  107=        0.0000010204
 Unscaled step for mode  108=       -0.0000013837
 Unscaled step for mode  109=        0.0000003809
 Unscaled step for mode  110=       -0.0000007147
 Unscaled step for mode  111=       -0.0000001583
 Unscaled step for mode  112=        0.0033887992
 Unscaled step for mode  113=       -0.0174100440
 Unscaled step for mode  114=        0.2687276048
 Largest modulus ratio of non-zero e/values=           236.7470093    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.131405E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.242406E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.155502E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.606379E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.317671E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.465920E-14    0.974314E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174728E-06    0.746862E+03  0.233950E-09 0.100000E-04    0.988341E+00
   8   -0.400364E-06    0.673993E+03  0.594018E-09 0.100000E-04    0.951221E+00
   9   -0.706321E-06    0.630830E+03  0.111967E-08 0.100000E-04    0.946706E+00
  10   -0.207203E-07    0.600614E+03  0.344986E-10 0.100000E-04    0.432068E+00
  11    0.675176E-08    0.586342E+03 -0.115151E-10 0.100000E-04    0.666536E+00
  12   -0.100765E-05    0.578899E+03  0.174063E-08 0.100000E-04    0.943564E+00
  13    0.506068E-07    0.564714E+03 -0.896148E-10 0.100000E-04    0.916152E+00
  14    0.418025E-06    0.487436E+03 -0.857598E-09 0.100000E-04    0.933000E+00
  15   -0.425315E-06    0.460546E+03  0.923503E-09 0.100000E-04    0.939326E+00
  16   -0.114863E-06    0.459746E+03  0.249841E-09 0.100000E-04    0.809911E+00
  17   -0.569480E-06    0.441637E+03  0.128948E-08 0.100000E-04    0.908312E+00
  18   -0.399094E-06    0.429445E+03  0.929325E-09 0.100000E-04    0.932471E+00
  19   -0.165994E-06    0.421875E+03  0.393466E-09 0.100000E-04    0.694862E+00
  20   -0.360129E-06    0.407866E+03  0.882960E-09 0.100000E-04    0.923206E+00
  21   -0.411527E-06    0.396309E+03  0.103840E-08 0.100000E-04    0.919704E+00
  22   -0.635474E-06    0.387399E+03  0.164036E-08 0.100000E-04    0.991353E+00
  23    0.778367E-06    0.370053E+03 -0.210339E-08 0.100000E-04    0.923776E+00
  24   -0.426846E-06    0.360576E+03  0.118379E-08 0.100000E-04    0.978932E+00
  25   -0.987195E-07    0.349310E+03  0.282613E-09 0.100000E-04    0.344704E+00
  26   -0.786253E-07    0.335329E+03  0.234472E-09 0.100000E-04    0.196792E+01
  27    0.352338E-06    0.329346E+03 -0.106981E-08 0.100000E-04    0.887935E+00
  28   -0.374041E-06    0.321818E+03  0.116227E-08 0.100000E-04    0.894616E+00
  29   -0.508818E-07    0.319158E+03  0.159425E-09 0.100000E-04    0.407195E+00
  30   -0.135222E-05    0.309338E+03  0.437132E-08 0.100000E-04    0.959481E+00
  31   -0.102761E-05    0.300789E+03  0.341638E-08 0.100000E-04    0.955332E+00
  32   -0.123290E-05    0.290604E+03  0.424254E-08 0.100000E-04    0.968443E+00
  33   -0.584143E-08    0.279066E+03  0.209321E-10 0.109000E-04    0.103131E+00
  34   -0.651563E-07    0.272758E+03  0.238880E-09 0.100000E-04    0.338713E+01
  35    0.101478E-05    0.268550E+03 -0.377873E-08 0.100000E-04    0.968615E+00
  36    0.124038E-05    0.264969E+03 -0.468120E-08 0.100000E-04    0.983433E+00
  37   -0.476926E-06    0.263865E+03  0.180746E-08 0.100000E-04    0.896632E+00
  38   -0.139959E-06    0.253187E+03  0.552787E-09 0.100000E-04    0.973459E+00
  39   -0.425821E-06    0.241588E+03  0.176259E-08 0.100000E-04    0.887626E+00
  40   -0.123881E-05    0.240793E+03  0.514469E-08 0.100000E-04    0.985880E+00
  41   -0.995744E-06    0.234050E+03  0.425440E-08 0.100000E-04    0.990312E+00
  42   -0.167713E-05    0.227535E+03  0.737089E-08 0.100000E-04    0.962998E+00
  43   -0.486130E-08    0.217169E+03  0.223849E-10 0.100000E-04    0.651549E+00
  44   -0.193339E-05    0.214899E+03  0.899676E-08 0.100000E-04    0.968000E+00
  45    0.721298E-06    0.213247E+03 -0.338246E-08 0.100000E-04    0.983141E+00
  46    0.106957E-05    0.207700E+03 -0.514962E-08 0.100000E-04    0.984172E+00
  47   -0.736646E-06    0.202979E+03  0.362918E-08 0.100000E-04    0.966044E+00
  48   -0.117153E-05    0.195394E+03  0.599572E-08 0.100000E-04    0.925748E+00
  49    0.940493E-06    0.194859E+03 -0.482652E-08 0.100000E-04    0.948360E+00
  50    0.117713E-05    0.191385E+03 -0.615060E-08 0.100000E-04    0.876282E+00
  51    0.206539E-06    0.182995E+03 -0.112866E-08 0.100000E-04    0.860678E+00
  52   -0.584720E-06    0.174393E+03  0.335289E-08 0.100000E-04    0.926996E+00
  53   -0.142825E-06    0.172349E+03  0.828699E-09 0.100000E-04    0.798860E+00
  54   -0.225829E-06    0.168229E+03  0.134239E-08 0.100000E-04    0.933982E+00
  55    0.827488E-06    0.163206E+03 -0.507020E-08 0.100000E-04    0.993882E+00
  56   -0.134129E-05    0.156863E+03  0.855068E-08 0.100000E-04    0.972451E+00
  57   -0.328471E-06    0.154936E+03  0.212004E-08 0.100000E-04    0.832000E+00
  58    0.916920E-06    0.152247E+03 -0.602260E-08 0.100000E-04    0.999278E+00
  59    0.628620E-06    0.146637E+03 -0.428693E-08 0.100000E-04    0.998973E+00
  60    0.162493E-06    0.143328E+03 -0.113371E-08 0.100000E-04    0.731686E+00
  61   -0.818579E-06    0.138118E+03  0.592666E-08 0.100000E-04    0.815191E+00
  62    0.932992E-06    0.135873E+03 -0.686664E-08 0.100000E-04    0.968757E+00
  63    0.199560E-05    0.130279E+03 -0.153179E-07 0.100000E-04    0.915313E+00
  64   -0.823771E-07    0.128850E+03  0.639325E-09 0.100000E-04    0.423540E+00
  65   -0.120627E-05    0.126908E+03  0.950506E-08 0.100000E-04    0.882518E+00
  66    0.628407E-06    0.124020E+03 -0.506698E-08 0.100000E-04    0.885158E+00
  67   -0.182789E-05    0.120020E+03  0.152298E-07 0.100000E-04    0.959756E+00
  68    0.431936E-06    0.118174E+03 -0.365509E-08 0.100000E-04    0.929680E+00
  69   -0.405458E-08    0.116817E+03  0.347088E-10 0.109000E-04    0.652680E-01
  70   -0.129821E-05    0.110375E+03  0.117619E-07 0.100000E-04    0.943369E+00
  71   -0.676895E-06    0.106818E+03  0.633688E-08 0.100000E-04    0.913034E+00
  72   -0.107758E-05    0.104464E+03  0.103153E-07 0.100000E-04    0.839814E+00
  73    0.121505E-06    0.102859E+03 -0.118128E-08 0.100000E-04    0.737221E+00
  74    0.824493E-07    0.995091E+02 -0.828560E-09 0.109000E-04    0.130786E+00
  75   -0.228235E-06    0.960807E+02  0.237545E-08 0.100000E-04    0.600633E+00
  76    0.161925E-06    0.940925E+02 -0.172092E-08 0.100000E-04    0.849874E+00
  77   -0.156694E-05    0.919490E+02  0.170415E-07 0.100000E-04    0.957294E+00
  78   -0.789812E-06    0.912417E+02  0.865626E-08 0.100000E-04    0.966084E+00
  79   -0.732778E-06    0.883944E+02  0.828986E-08 0.100000E-04    0.981260E+00
  80   -0.522620E-06    0.856235E+02  0.610370E-08 0.100000E-04    0.913750E+00
  81    0.127718E-05    0.808386E+02 -0.157991E-07 0.100000E-04    0.992181E+00
  82   -0.119196E-05    0.805345E+02  0.148006E-07 0.100000E-04    0.929463E+00
  83    0.266624E-06    0.779461E+02 -0.342062E-08 0.100000E-04    0.707244E+00
  84    0.247252E-06    0.732749E+02 -0.337431E-08 0.100000E-04    0.532243E+00
  85    0.195004E-05    0.725285E+02 -0.268865E-07 0.100000E-04    0.886698E+00
  86    0.494544E-06    0.679031E+02 -0.728309E-08 0.100000E-04    0.834868E+00
  87   -0.763970E-06    0.647317E+02  0.118021E-07 0.100000E-04    0.782024E+00
  88   -0.111683E-05    0.613274E+02  0.182110E-07 0.100000E-04    0.957939E+00
  89    0.195442E-05    0.598247E+02 -0.326691E-07 0.100000E-04    0.943971E+00
  90   -0.222687E-05    0.594052E+02  0.374862E-07 0.100000E-04    0.974440E+00
  91   -0.266722E-05    0.581342E+02  0.458804E-07 0.100000E-04    0.914770E+00
  92   -0.353538E-05    0.558634E+02  0.632861E-07 0.100000E-04    0.945507E+00
  93   -0.326479E-05    0.524408E+02  0.622566E-07 0.100000E-04    0.980795E+00
  94    0.686986E-06    0.520115E+02 -0.132083E-07 0.100000E-04    0.813479E+00
  95   -0.186770E-05    0.502698E+02  0.371535E-07 0.100000E-04    0.882032E+00
  96   -0.111496E-05    0.461375E+02  0.241661E-07 0.100000E-04    0.915100E+00
  97   -0.289132E-05    0.433684E+02  0.666687E-07 0.100000E-04    0.879472E+00
  98    0.459620E-06    0.409218E+02 -0.112317E-07 0.100000E-04    0.638940E+00
  99    0.175847E-05    0.378658E+02 -0.464397E-07 0.100000E-04    0.800569E+00
 100    0.147817E-05    0.361911E+02 -0.408435E-07 0.100000E-04    0.886056E+00
 101   -0.104900E-04    0.322500E+02  0.325270E-06 0.100000E-04    0.936482E+00
 102   -0.217712E-07    0.289180E+02  0.752861E-09 0.109000E-04    0.716792E-01
 103    0.247829E-05    0.284556E+02 -0.870933E-07 0.100000E-04    0.959112E+00
 104   -0.134202E-05    0.263128E+02  0.510027E-07 0.100000E-04    0.637583E+00
 105   -0.599833E-05    0.233281E+02  0.257129E-06 0.100000E-04    0.924854E+00
 106   -0.500704E-05    0.213387E+02  0.234645E-06 0.100000E-04    0.962147E+00
 107   -0.202547E-04    0.198492E+02  0.102043E-05 0.100000E-04    0.917007E+00
 108    0.227630E-04    0.164508E+02 -0.138370E-05 0.100000E-04    0.927532E+00
 109   -0.529925E-05    0.139116E+02  0.380924E-06 0.100000E-04    0.955192E+00
 110    0.875052E-05    0.122443E+02 -0.714661E-06 0.100000E-04    0.845669E+00
 111    0.159693E-05    0.100869E+02 -0.158317E-06 0.100000E-04    0.723017E+00
 112   -0.309657E-01    0.913756E+01  0.100000E-04 0.100000E-04    0.565828E+00
 113    0.100241E+00    0.575593E+01 -0.215838E-04 0.215838E-04    0.150791E+00
 114    0.913736E+00    0.315468E+01  0.100000E-04 0.100000E-04    0.787880E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2158381881E-04    0.2687276048    

 Beginning of optimization cycle  655.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991224584
 potential> RMS force:                                               0.0861428355   |gradient|=.9197537957    
 Eigenvalues of the Hessian matrix:
   746.86579    673.99174    630.83301    600.61182    586.34143    578.89883 
   564.71038    487.43602    460.54423    459.74550    441.63624    429.44662 
   421.87407    407.86401    396.30881    387.39752    370.05322    360.57631 
   349.30927    335.32950    329.34703    321.81809    319.15879    309.33650 
   300.78856    290.60410    279.06738    272.75832    268.55001    264.96978 
   263.86588    253.18664    241.58880    240.79373    234.05090    227.53530 
   217.16935    214.89895    213.24645    207.70035    202.97833    195.39319 
   194.85969    191.38519    182.99549    174.39359    172.34879    168.22934 
   163.20578    156.86319    154.93696    152.24640    146.63597    143.32783 
   138.11856    135.87309    130.27881    128.85022    126.90836    124.01888 
   120.02035    118.17405    116.81678    110.37489    106.81820    104.46455 
   102.85906     99.50902     96.08048     94.09224     91.94860     91.24193 
    88.39390     85.62385     80.83869     80.53516     77.94583     73.27470 
    72.52791     67.90274     64.73129     61.32696     59.82438     59.40526 
    58.13419     55.86320     52.44067     52.01112     50.27037     46.13708 
    43.36900     40.92193     37.86572     36.19077     32.24964     28.91834 
    28.45565     26.31307     23.32798     21.33898     19.84912     16.45068 
    13.91164     12.24431     10.08684      9.13910      5.75610      3.15437 
overlap for current and previous eigenvector    109 is         0.9999999883
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999592
overlap for current and previous eigenvector    112 is         0.9999999258
overlap for current and previous eigenvector    113 is         0.9999999345
overlap for current and previous eigenvector    114 is         0.9999999665
J1,K1,R1,R2,RAT=   7   7    0.4277462462E-02     1.995712282        0.9957122820    
FOB,PFOB,DIAG,PSTEP=   -0.1739807072E-06   -0.1747281039E-06     746.8657871        0.2339496639E-09
J1,K1,R1,R2,RAT=   8   8   -0.4201593028E-01     2.042020071        0.9579840697    
FOB,PFOB,DIAG,PSTEP=   -0.4171857464E-06   -0.4003641107E-06     673.9917401        0.5940180836E-09
J1,K1,R1,R2,RAT=   9   9   -0.4549488777E-01     2.045485551        0.9545051122    
FOB,PFOB,DIAG,PSTEP=   -0.7384552842E-06   -0.7063211335E-06     630.8330117        0.1119669418E-08
J1,K1,R1,R2,RAT=  10  10    -1.115522774         3.115530227        0.1155227739    
FOB,PFOB,DIAG,PSTEP=   -0.4383424700E-07   -0.2072033148E-07     600.6118199        0.3449857892E-10
J1,K1,R1,R2,RAT=  11  11   -0.2631948587         2.263196697        0.7368051413    
FOB,PFOB,DIAG,PSTEP=    0.8528792590E-08    0.6751764516E-08     586.3414324       -0.1151506262E-10
J1,K1,R1,R2,RAT= 109 109   -0.4082052035E-01     2.040811935        0.9591794796    
FOB,PFOB,DIAG,PSTEP=   -0.5515571394E-05   -0.5299252232E-05     13.91164411        0.3809237024E-06
J1,K1,R1,R2,RAT= 110 110   -0.1507325711         2.150729063        0.8492674289    
FOB,PFOB,DIAG,PSTEP=    0.1006950750E-04    0.8750517225E-05     12.24431311       -0.7146609608E-06
J1,K1,R1,R2,RAT= 111 111   -0.3890960922         2.389108714        0.6109039078    
FOB,PFOB,DIAG,PSTEP=    0.2218283727E-05    0.1596928867E-05     10.08684156       -0.1583170291E-06
J1,K1,R1,R2,RAT= 112 112    0.4052675364         677.2484622        0.5947324636    
FOB,PFOB,DIAG,PSTEP=   -0.3092867774E-01   -0.3096571554E-01     9.139096910        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7943494590         1614.483676        0.2056505410    
FOB,PFOB,DIAG,PSTEP=    0.1003399937        0.1002413048         5.756102165       -0.2158381881E-04
J1,K1,R1,R2,RAT= 114 114    0.1662795647        -57934.72192        0.8337204353    
FOB,PFOB,DIAG,PSTEP=    0.9137408526        0.9137356075         3.154371679        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001     -0.00001     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03093      0.10034      0.91374 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3813666259
 Log product of positive Hessian eigenvalues =          519.0753752126
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1543716786
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000043
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000070
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=       -0.0000000165
 Unscaled step for mode   64=        0.0000000013
 Unscaled step for mode   65=        0.0000000106
 Unscaled step for mode   66=       -0.0000000056
 Unscaled step for mode   67=        0.0000000157
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=        0.0000000123
 Unscaled step for mode   71=        0.0000000068
 Unscaled step for mode   72=        0.0000000091
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=        0.0000000011
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=       -0.0000000089
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000066
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000157
 Unscaled step for mode   83=       -0.0000000028
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000298
 Unscaled step for mode   86=       -0.0000000084
 Unscaled step for mode   87=        0.0000000144
 Unscaled step for mode   88=        0.0000000175
 Unscaled step for mode   89=       -0.0000000343
 Unscaled step for mode   90=        0.0000000382
 Unscaled step for mode   91=        0.0000000490
 Unscaled step for mode   92=        0.0000000661
 Unscaled step for mode   93=        0.0000000630
 Unscaled step for mode   94=       -0.0000000114
 Unscaled step for mode   95=        0.0000000414
 Unscaled step for mode   96=        0.0000000257
 Unscaled step for mode   97=        0.0000000741
 Unscaled step for mode   98=       -0.0000000167
 Unscaled step for mode   99=       -0.0000000561
 Unscaled step for mode  100=       -0.0000000451
 Unscaled step for mode  101=        0.0000003421
 Unscaled step for mode  102=        0.0000000085
 Unscaled step for mode  103=       -0.0000000902
 Unscaled step for mode  104=        0.0000000407
 Unscaled step for mode  105=        0.0000002736
 Unscaled step for mode  106=        0.0000002417
 Unscaled step for mode  107=        0.0000010935
 Unscaled step for mode  108=       -0.0000014691
 Unscaled step for mode  109=        0.0000003965
 Unscaled step for mode  110=       -0.0000008224
 Unscaled step for mode  111=       -0.0000002199
 Unscaled step for mode  112=        0.0033841772
 Unscaled step for mode  113=       -0.0174266402
 Unscaled step for mode  114=        0.2687519485
 Largest modulus ratio of non-zero e/values=           236.7716500    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.448209E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.221627E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.788006E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.218033E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.328559E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.360582E-14    0.974314E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173981E-06    0.746866E+03  0.232948E-09 0.100000E-04    0.995712E+00
   8   -0.417186E-06    0.673992E+03  0.618978E-09 0.100000E-04    0.957984E+00
   9   -0.738455E-06    0.630833E+03  0.117060E-08 0.100000E-04    0.954505E+00
  10   -0.438342E-07    0.600612E+03  0.729827E-10 0.109000E-04    0.115523E+00
  11    0.852879E-08    0.586341E+03 -0.145458E-10 0.100000E-04    0.736805E+00
  12   -0.105733E-05    0.578899E+03  0.182645E-08 0.100000E-04    0.950693E+00
  13    0.471171E-07    0.564710E+03 -0.834359E-10 0.100000E-04    0.931044E+00
  14    0.443583E-06    0.487436E+03 -0.910034E-09 0.100000E-04    0.938858E+00
  15   -0.447588E-06    0.460544E+03  0.971868E-09 0.100000E-04    0.947631E+00
  16   -0.137051E-06    0.459745E+03  0.298101E-09 0.100000E-04    0.806837E+00
  17   -0.617545E-06    0.441636E+03  0.139831E-08 0.100000E-04    0.915599E+00
  18   -0.422280E-06    0.429447E+03  0.983311E-09 0.100000E-04    0.941905E+00
  19   -0.133422E-06    0.421874E+03  0.316260E-09 0.100000E-04    0.803777E+00
  20   -0.384572E-06    0.407864E+03  0.942894E-09 0.100000E-04    0.932126E+00
  21   -0.441110E-06    0.396309E+03  0.111305E-08 0.100000E-04    0.928114E+00
  22   -0.638486E-06    0.387398E+03  0.164814E-08 0.100000E-04    0.995260E+00
  23    0.831489E-06    0.370053E+03 -0.224694E-08 0.100000E-04    0.931752E+00
  24   -0.433941E-06    0.360576E+03  0.120347E-08 0.100000E-04    0.983378E+00
  25   -0.654352E-07    0.349309E+03  0.187327E-09 0.100000E-04    0.662839E+00
  26   -0.313546E-07    0.335329E+03  0.935037E-10 0.100000E-04    0.398782E+00
  27    0.387868E-06    0.329347E+03 -0.117769E-08 0.100000E-04    0.899161E+00
  28   -0.409026E-06    0.321818E+03  0.127099E-08 0.100000E-04    0.906468E+00
  29   -0.108441E-06    0.319159E+03  0.339771E-09 0.109000E-04    0.131229E+00
  30   -0.139350E-05    0.309336E+03  0.450481E-08 0.100000E-04    0.969466E+00
  31   -0.106615E-05    0.300789E+03  0.354450E-08 0.100000E-04    0.962501E+00
  32   -0.126339E-05    0.290604E+03  0.434746E-08 0.100000E-04    0.975268E+00
  33   -0.472619E-07    0.279067E+03  0.169357E-09 0.100000E-04    0.609077E+01
  34   -0.227359E-07    0.272758E+03  0.833556E-10 0.100000E-04    0.348942E+00
  35    0.103874E-05    0.268550E+03 -0.386795E-08 0.100000E-04    0.976387E+00
  36    0.125587E-05    0.264970E+03 -0.473969E-08 0.100000E-04    0.987505E+00
  37   -0.522761E-06    0.263866E+03  0.198116E-08 0.100000E-04    0.903895E+00
  38   -0.136607E-06    0.253187E+03  0.539549E-09 0.100000E-04    0.976050E+00
  39   -0.392516E-06    0.241589E+03  0.162473E-08 0.100000E-04    0.921782E+00
  40   -0.125141E-05    0.240794E+03  0.519701E-08 0.100000E-04    0.989828E+00
  41   -0.988190E-06    0.234051E+03  0.422212E-08 0.100000E-04    0.992407E+00
  42   -0.172432E-05    0.227535E+03  0.757827E-08 0.100000E-04    0.971863E+00
  43   -0.560208E-08    0.217169E+03  0.257959E-10 0.100000E-04    0.847618E+00
  44   -0.198376E-05    0.214899E+03  0.923115E-08 0.100000E-04    0.973947E+00
  45    0.709152E-06    0.213246E+03 -0.332550E-08 0.100000E-04    0.983161E+00
  46    0.108488E-05    0.207700E+03 -0.522330E-08 0.100000E-04    0.985688E+00
  47   -0.758226E-06    0.202978E+03  0.373550E-08 0.100000E-04    0.970704E+00
  48   -0.124489E-05    0.195393E+03  0.637122E-08 0.100000E-04    0.937377E+00
  49    0.983528E-06    0.194860E+03 -0.504736E-08 0.100000E-04    0.954243E+00
  50    0.131204E-05    0.191385E+03 -0.685552E-08 0.100000E-04    0.885388E+00
  51    0.233422E-06    0.182995E+03 -0.127556E-08 0.100000E-04    0.869843E+00
  52   -0.620839E-06    0.174394E+03  0.355999E-08 0.100000E-04    0.938229E+00
  53   -0.123747E-06    0.172349E+03  0.718001E-09 0.100000E-04    0.866419E+00
  54   -0.213485E-06    0.168229E+03  0.126901E-08 0.100000E-04    0.945333E+00
  55    0.818932E-06    0.163206E+03 -0.501779E-08 0.100000E-04    0.989660E+00
  56   -0.137196E-05    0.156863E+03  0.874622E-08 0.100000E-04    0.977134E+00
  57   -0.385199E-06    0.154937E+03  0.248616E-08 0.100000E-04    0.827298E+00
  58    0.913170E-06    0.152246E+03 -0.599797E-08 0.100000E-04    0.995910E+00
  59    0.626968E-06    0.146636E+03 -0.427568E-08 0.100000E-04    0.997372E+00
  60    0.213461E-06    0.143328E+03 -0.148932E-08 0.100000E-04    0.686332E+00
  61   -0.972031E-06    0.138119E+03  0.703766E-08 0.100000E-04    0.812538E+00
  62    0.955372E-06    0.135873E+03 -0.703135E-08 0.100000E-04    0.976013E+00
  63    0.214419E-05    0.130279E+03 -0.164584E-07 0.100000E-04    0.925545E+00
  64   -0.173192E-06    0.128850E+03  0.134413E-08 0.109000E-04    0.102426E+00
  65   -0.134027E-05    0.126908E+03  0.105609E-07 0.100000E-04    0.888916E+00
  66    0.697749E-06    0.124019E+03 -0.562615E-08 0.100000E-04    0.889654E+00
  67   -0.188853E-05    0.120020E+03  0.157350E-07 0.100000E-04    0.966825E+00
  68    0.458648E-06    0.118174E+03 -0.388113E-08 0.100000E-04    0.938156E+00
  69   -0.557841E-07    0.116817E+03  0.477535E-09 0.100000E-04    0.117583E+02
  70   -0.136108E-05    0.110375E+03  0.123315E-07 0.100000E-04    0.951568E+00
  71   -0.730205E-06    0.106818E+03  0.683596E-08 0.100000E-04    0.921243E+00
  72   -0.954929E-06    0.104465E+03  0.914118E-08 0.100000E-04    0.886174E+00
  73    0.156686E-06    0.102859E+03 -0.152331E-08 0.100000E-04    0.710461E+00
  74    0.440882E-07    0.995090E+02 -0.443058E-09 0.100000E-04    0.534731E+00
  75   -0.109235E-06    0.960805E+02  0.113692E-08 0.100000E-04    0.478608E+00
  76    0.183953E-06    0.940922E+02 -0.195503E-08 0.100000E-04    0.863962E+00
  77   -0.151095E-05    0.919486E+02  0.164326E-07 0.100000E-04    0.964267E+00
  78    0.808907E-06    0.912419E+02 -0.886552E-08 0.100000E-04    0.975823E+00
  79   -0.741408E-06    0.883939E+02  0.838754E-08 0.100000E-04    0.988223E+00
  80   -0.564659E-06    0.856238E+02  0.659465E-08 0.100000E-04    0.919561E+00
  81    0.128219E-05    0.808387E+02 -0.158610E-07 0.100000E-04    0.996080E+00
  82   -0.126526E-05    0.805352E+02  0.157106E-07 0.100000E-04    0.938510E+00
  83    0.215819E-06    0.779458E+02 -0.276883E-08 0.100000E-04    0.809449E+00
  84    0.426267E-06    0.732747E+02 -0.581739E-08 0.100000E-04    0.275980E+00
  85    0.216063E-05    0.725279E+02 -0.297903E-07 0.100000E-04    0.892005E+00
  86    0.573464E-06    0.679027E+02 -0.844538E-08 0.100000E-04    0.840418E+00
  87   -0.935101E-06    0.647313E+02  0.144459E-07 0.100000E-04    0.775996E+00
  88   -0.107251E-05    0.613270E+02  0.174884E-07 0.100000E-04    0.960315E+00
  89    0.205119E-05    0.598244E+02 -0.342869E-07 0.100000E-04    0.950482E+00
  90   -0.227026E-05    0.594053E+02  0.382164E-07 0.100000E-04    0.980518E+00
  91   -0.285033E-05    0.581342E+02  0.490301E-07 0.100000E-04    0.931350E+00
  92   -0.369250E-05    0.558632E+02  0.660990E-07 0.100000E-04    0.955556E+00
  93   -0.330546E-05    0.524407E+02  0.630324E-07 0.100000E-04    0.987542E+00
  94    0.590536E-06    0.520111E+02 -0.113540E-07 0.100000E-04    0.859604E+00
  95   -0.208186E-05    0.502704E+02  0.414133E-07 0.100000E-04    0.885333E+00
  96   -0.118729E-05    0.461371E+02  0.257340E-07 0.100000E-04    0.935127E+00
  97   -0.321416E-05    0.433690E+02  0.741119E-07 0.100000E-04    0.888343E+00
  98    0.683764E-06    0.409219E+02 -0.167090E-07 0.100000E-04    0.512329E+00
  99    0.212415E-05    0.378657E+02 -0.560968E-07 0.100000E-04    0.792051E+00
 100    0.163394E-05    0.361908E+02 -0.451481E-07 0.100000E-04    0.894619E+00
 101   -0.110316E-04    0.322496E+02  0.342069E-06 0.100000E-04    0.948366E+00
 102   -0.246876E-06    0.289183E+02  0.853699E-08 0.100000E-04    0.933942E+01
 103    0.256701E-05    0.284557E+02 -0.902109E-07 0.100000E-04    0.964201E+00
 104   -0.107153E-05    0.263131E+02  0.407225E-07 0.100000E-04    0.798426E+00
 105   -0.638338E-05    0.233280E+02  0.273636E-06 0.100000E-04    0.935806E+00
 106   -0.515674E-05    0.213390E+02  0.241658E-06 0.100000E-04    0.970102E+00
 107   -0.217044E-04    0.198491E+02  0.109347E-05 0.100000E-04    0.928425E+00
 108    0.241678E-04    0.164507E+02 -0.146911E-05 0.100000E-04    0.938287E+00
 109   -0.551557E-05    0.139116E+02  0.396472E-06 0.100000E-04    0.959179E+00
 110    0.100695E-04    0.122443E+02 -0.822382E-06 0.100000E-04    0.849267E+00
 111    0.221828E-05    0.100868E+02 -0.219919E-06 0.100000E-04    0.610904E+00
 112   -0.309287E-01    0.913910E+01  0.100000E-04 0.100000E-04    0.594732E+00
 113    0.100340E+00    0.575610E+01 -0.194449E-04 0.194449E-04    0.205651E+00
 114    0.913741E+00    0.315437E+01  0.100000E-04 0.100000E-04    0.833720E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1944488181E-04    0.2687519485    

 Beginning of optimization cycle  656.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991155797
 potential> RMS force:                                               0.0861443392   |gradient|=.9197698507    
 Eigenvalues of the Hessian matrix:
   746.86950    673.99057    630.83584    600.60956    586.34097    578.89897 
   564.70656    487.43573    460.54297    459.74498    441.63573    429.44778 
   421.87345    407.86247    396.30828    387.39614    370.05367    360.57645 
   349.30853    335.33010    329.34786    321.81788    319.15935    309.33538 
   300.78795    290.60416    279.06876    272.75876    268.55022    264.97008 
   263.86640    253.18603    241.58907    240.79407    234.05161    227.53556 
   217.17002    214.89908    213.24617    207.70081    202.97794    195.39241 
   194.86002    191.38563    182.99617    174.39428    172.34902    168.22959 
   163.20548    156.86297    154.93744    152.24622    146.63541    143.32747 
   138.11905    135.87309    130.27859    128.85041    126.90856    124.01783 
   120.02053    118.17419    116.81639    110.37512    106.81807    104.46478 
   102.85914     99.50897     96.08030     94.09203     91.94819     91.24212 
    88.39341     85.62413     80.83877     80.53579     77.94562     73.27452 
    72.52738     67.90247     64.73087     61.32653     59.82413     59.40536 
    58.13417     55.86300     52.44058     52.01078     50.27093     46.13668 
    43.36954     40.92205     37.86570     36.19049     32.24928     28.91866 
    28.45571     26.31333     23.32788     21.33924     19.84902     16.45059 
    13.91170     12.24433     10.08678      9.14054      5.75626      3.15407 
overlap for current and previous eigenvector    109 is        -0.9999999899
overlap for current and previous eigenvector    110 is        -0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999658
overlap for current and previous eigenvector    112 is        -0.9999999361
overlap for current and previous eigenvector    113 is         0.9999999422
overlap for current and previous eigenvector    114 is         0.9999999709
J1,K1,R1,R2,RAT=   7   7   -0.1147630952E-01     2.011466357        0.9885236905    
FOB,PFOB,DIAG,PSTEP=   -0.1759773736E-06   -0.1739807072E-06     746.8695036        0.2329477534E-09
J1,K1,R1,R2,RAT=   8   8    0.4831729574E-01     1.951686168        0.9516827043    
FOB,PFOB,DIAG,PSTEP=   -0.3970284943E-06   -0.4171857464E-06     673.9905728        0.6189775358E-09
J1,K1,R1,R2,RAT=   9   9    0.5279930174E-01     1.947191724        0.9471917243    
FOB,PFOB,DIAG,PSTEP=   -0.6994651859E-06   -0.7384552842E-06     630.8358423        0.1170603425E-08
J1,K1,R1,R2,RAT=  10  10    0.6110505425         1.388956972        0.3889494575    
FOB,PFOB,DIAG,PSTEP=   -0.1704940723E-07   -0.4383424700E-07     600.6095632        0.7298265793E-10
J1,K1,R1,R2,RAT=  11  11    0.3852141785         1.614787400        0.6147858215    
FOB,PFOB,DIAG,PSTEP=    0.5243383352E-08    0.8528792590E-08     586.3409697       -0.1454577848E-10
J1,K1,R1,R2,RAT= 109 109     1.955918356        0.4407322011E-01    0.9559183557    
FOB,PFOB,DIAG,PSTEP=    0.5272481378E-05   -0.5515571394E-05     13.91170270        0.3964715710E-06
J1,K1,R1,R2,RAT= 110 110     1.844221859        0.1557745784        0.8442218586    
FOB,PFOB,DIAG,PSTEP=   -0.8500931419E-05    0.1006950750E-04     12.24433493       -0.8223823913E-06
J1,K1,R1,R2,RAT= 111 111     1.727370021        0.2726430922        0.7273569078    
FOB,PFOB,DIAG,PSTEP=   -0.1613487958E-05    0.2218283727E-05     10.08677542       -0.2199185656E-06
J1,K1,R1,R2,RAT= 112 112     676.2960947        0.4404157756        0.5595842244    
FOB,PFOB,DIAG,PSTEP=    0.3088842137E-01   -0.3092867774E-01     9.140537643        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8546194022         1793.764542        0.1453805978    
FOB,PFOB,DIAG,PSTEP=    0.1004356510        0.1003399937         5.756258467       -0.1944488181E-04
J1,K1,R1,R2,RAT= 114 114    0.2223545625        -57940.62445        0.7776454375    
FOB,PFOB,DIAG,PSTEP=    0.9137478658        0.9137408526         3.154071492        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000      0.00001     -0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03089      0.10044      0.91375 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3813442744
 Log product of positive Hessian eigenvalues =          519.0754402348
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1540714924
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000060
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=       -0.0000000014
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=        0.0000000085
 Unscaled step for mode   57=       -0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=       -0.0000000057
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=        0.0000000151
 Unscaled step for mode   64=       -0.0000000005
 Unscaled step for mode   65=        0.0000000093
 Unscaled step for mode   66=       -0.0000000050
 Unscaled step for mode   67=       -0.0000000151
 Unscaled step for mode   68=        0.0000000036
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=       -0.0000000116
 Unscaled step for mode   71=        0.0000000062
 Unscaled step for mode   72=        0.0000000105
 Unscaled step for mode   73=       -0.0000000011
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=        0.0000000026
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=       -0.0000000086
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000060
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000146
 Unscaled step for mode   83=       -0.0000000035
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000264
 Unscaled step for mode   86=       -0.0000000070
 Unscaled step for mode   87=        0.0000000112
 Unscaled step for mode   88=        0.0000000182
 Unscaled step for mode   89=       -0.0000000324
 Unscaled step for mode   90=        0.0000000372
 Unscaled step for mode   91=        0.0000000448
 Unscaled step for mode   92=       -0.0000000625
 Unscaled step for mode   93=       -0.0000000618
 Unscaled step for mode   94=        0.0000000134
 Unscaled step for mode   95=        0.0000000365
 Unscaled step for mode   96=        0.0000000235
 Unscaled step for mode   97=       -0.0000000651
 Unscaled step for mode   98=        0.0000000105
 Unscaled step for mode   99=        0.0000000447
 Unscaled step for mode  100=        0.0000000400
 Unscaled step for mode  101=       -0.0000003204
 Unscaled step for mode  102=        0.0000000011
 Unscaled step for mode  103=       -0.0000000866
 Unscaled step for mode  104=       -0.0000000541
 Unscaled step for mode  105=       -0.0000002531
 Unscaled step for mode  106=       -0.0000002326
 Unscaled step for mode  107=        0.0000010027
 Unscaled step for mode  108=       -0.0000013629
 Unscaled step for mode  109=       -0.0000003790
 Unscaled step for mode  110=        0.0000006943
 Unscaled step for mode  111=        0.0000001600
 Unscaled step for mode  112=       -0.0033792398
 Unscaled step for mode  113=       -0.0174427702
 Unscaled step for mode  114=        0.2687758653
 Largest modulus ratio of non-zero e/values=           236.7953629    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.727391E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.168767E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.571053E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.163216E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.451530E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.348645E-14    0.974315E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175977E-06    0.746870E+03  0.235620E-09 0.100000E-04    0.988524E+00
   8   -0.397028E-06    0.673991E+03  0.589071E-09 0.100000E-04    0.951683E+00
   9   -0.699465E-06    0.630836E+03  0.110879E-08 0.100000E-04    0.947192E+00
  10   -0.170494E-07    0.600610E+03  0.283868E-10 0.100000E-04    0.388949E+00
  11    0.524338E-08    0.586341E+03 -0.894255E-11 0.100000E-04    0.614786E+00
  12   -0.998202E-06    0.578899E+03  0.172431E-08 0.100000E-04    0.944076E+00
  13    0.509770E-07    0.564707E+03 -0.902716E-10 0.100000E-04    0.918080E+00
  14    0.414124E-06    0.487436E+03 -0.849597E-09 0.100000E-04    0.933587E+00
  15   -0.420615E-06    0.460543E+03  0.913302E-09 0.100000E-04    0.939737E+00
  16   -0.110564E-06    0.459745E+03  0.240490E-09 0.100000E-04    0.806737E+00
  17   -0.561090E-06    0.441636E+03  0.127048E-08 0.100000E-04    0.908582E+00
  18   -0.393913E-06    0.429448E+03  0.917255E-09 0.100000E-04    0.932821E+00
  19   -0.171595E-06    0.421873E+03  0.406744E-09 0.100000E-04    0.713893E+00
  20   -0.355180E-06    0.407862E+03  0.870832E-09 0.100000E-04    0.923570E+00
  21   -0.405827E-06    0.396308E+03  0.102402E-08 0.100000E-04    0.920013E+00
  22   -0.633103E-06    0.387396E+03  0.163425E-08 0.100000E-04    0.991568E+00
  23    0.768456E-06    0.370054E+03 -0.207661E-08 0.100000E-04    0.924191E+00
  24   -0.424973E-06    0.360576E+03  0.117859E-08 0.100000E-04    0.979333E+00
  25   -0.103858E-06    0.349309E+03  0.297326E-09 0.100000E-04    0.412804E+00
  26   -0.892115E-07    0.335330E+03  0.266041E-09 0.100000E-04    0.845244E+00
  27    0.344194E-06    0.329348E+03 -0.104508E-08 0.100000E-04    0.887394E+00
  28   -0.365740E-06    0.321818E+03  0.113648E-08 0.100000E-04    0.894171E+00
  29   -0.355894E-07    0.319159E+03  0.111510E-09 0.100000E-04    0.328189E+00
  30   -0.133745E-05    0.309335E+03  0.432363E-08 0.100000E-04    0.959777E+00
  31   -0.101901E-05    0.300788E+03  0.338780E-08 0.100000E-04    0.955789E+00
  32   -0.122400E-05    0.290604E+03  0.421190E-08 0.100000E-04    0.968818E+00
  33    0.270982E-08    0.279069E+03 -0.971021E-11 0.109000E-04    0.573309E-01
  34   -0.749507E-07    0.272759E+03  0.274788E-09 0.100000E-04    0.129657E+01
  35    0.100651E-05    0.268550E+03 -0.374794E-08 0.100000E-04    0.968970E+00
  36    0.123548E-05    0.264970E+03 -0.466273E-08 0.100000E-04    0.983763E+00
  37   -0.468765E-06    0.263866E+03  0.177652E-08 0.100000E-04    0.896705E+00
  38   -0.140203E-06    0.253186E+03  0.553754E-09 0.100000E-04    0.973674E+00
  39   -0.434833E-06    0.241589E+03  0.179989E-08 0.100000E-04    0.892188E+00
  40   -0.123406E-05    0.240794E+03  0.512498E-08 0.100000E-04    0.986137E+00
  41   -0.997692E-06    0.234052E+03  0.426270E-08 0.100000E-04    0.990385E+00
  42   -0.166114E-05    0.227536E+03  0.730058E-08 0.100000E-04    0.963357E+00
  43   -0.308048E-08    0.217170E+03  0.141847E-10 0.100000E-04    0.549877E+00
  44   -0.192116E-05    0.214899E+03  0.893984E-08 0.100000E-04    0.968442E+00
  45    0.720966E-06    0.213246E+03 -0.338091E-08 0.100000E-04    0.983341E+00
  46    0.106808E-05    0.207701E+03 -0.514239E-08 0.100000E-04    0.984508E+00
  47   -0.732863E-06    0.202978E+03  0.361056E-08 0.100000E-04    0.966549E+00
  48   -0.115258E-05    0.195392E+03  0.589879E-08 0.100000E-04    0.925846E+00
  49    0.933204E-06    0.194860E+03 -0.478910E-08 0.100000E-04    0.948830E+00
  50    0.114890E-05    0.191386E+03 -0.600305E-08 0.100000E-04    0.875650E+00
  51    0.200569E-06    0.182996E+03 -0.109603E-08 0.100000E-04    0.859249E+00
  52   -0.575607E-06    0.174394E+03  0.330060E-08 0.100000E-04    0.927135E+00
  53   -0.147212E-06    0.172349E+03  0.854152E-09 0.100000E-04    0.810374E+00
  54    0.227242E-06    0.168230E+03 -0.135078E-08 0.100000E-04    0.935558E+00
  55   -0.824008E-06    0.163205E+03  0.504890E-08 0.100000E-04    0.993802E+00
  56   -0.133475E-05    0.156863E+03  0.850899E-08 0.100000E-04    0.972875E+00
  57    0.320069E-06    0.154937E+03 -0.206579E-08 0.100000E-04    0.830913E+00
  58    0.913885E-06    0.152246E+03 -0.600268E-08 0.100000E-04    0.999217E+00
  59   -0.626425E-06    0.146635E+03  0.427199E-08 0.100000E-04    0.999133E+00
  60   -0.154912E-06    0.143327E+03  0.108083E-08 0.100000E-04    0.725713E+00
  61    0.789734E-06    0.138119E+03 -0.571778E-08 0.100000E-04    0.812451E+00
  62   -0.925845E-06    0.135873E+03  0.681404E-08 0.100000E-04    0.969094E+00
  63   -0.196278E-05    0.130279E+03  0.150660E-07 0.100000E-04    0.915396E+00
  64    0.628775E-07    0.128850E+03 -0.487988E-09 0.100000E-04    0.363049E+00
  65   -0.118263E-05    0.126909E+03  0.931877E-08 0.100000E-04    0.882381E+00
  66    0.617594E-06    0.124018E+03 -0.497988E-08 0.100000E-04    0.885122E+00
  67    0.181340E-05    0.120021E+03 -0.151091E-07 0.100000E-04    0.960217E+00
  68   -0.426602E-06    0.118174E+03  0.360994E-08 0.100000E-04    0.930126E+00
  69    0.124600E-08    0.116816E+03 -0.106663E-10 0.109000E-04    0.223328E-01
  70    0.128467E-05    0.110375E+03 -0.116391E-07 0.100000E-04    0.943853E+00
  71   -0.666739E-06    0.106818E+03  0.624182E-08 0.100000E-04    0.913085E+00
  72   -0.110129E-05    0.104465E+03  0.105422E-07 0.100000E-04    0.846728E+00
  73    0.114236E-06    0.102859E+03 -0.111060E-08 0.100000E-04    0.729073E+00
  74    0.870360E-07    0.995090E+02 -0.874655E-09 0.109000E-04    0.258670E-01
  75   -0.247357E-06    0.960803E+02  0.257448E-08 0.100000E-04    0.264445E+00
  76    0.156024E-06    0.940920E+02 -0.165821E-08 0.100000E-04    0.848174E+00
  77   -0.157414E-05    0.919482E+02  0.171198E-07 0.100000E-04    0.958182E+00
  78    0.781722E-06    0.912421E+02 -0.856756E-08 0.100000E-04    0.966389E+00
  79   -0.727630E-06    0.883934E+02  0.823173E-08 0.100000E-04    0.981417E+00
  80   -0.516099E-06    0.856241E+02  0.602750E-08 0.100000E-04    0.913995E+00
  81    0.127241E-05    0.808388E+02 -0.157401E-07 0.100000E-04    0.992374E+00
  82   -0.117642E-05    0.805358E+02  0.146074E-07 0.100000E-04    0.929774E+00
  83    0.275365E-06    0.779456E+02 -0.353278E-08 0.100000E-04    0.724092E+00
  84    0.212891E-06    0.732745E+02 -0.290539E-08 0.100000E-04    0.499430E+00
  85    0.191576E-05    0.725274E+02 -0.264143E-07 0.100000E-04    0.886666E+00
  86    0.477456E-06    0.679025E+02 -0.703150E-08 0.100000E-04    0.832581E+00
  87   -0.725724E-06    0.647309E+02  0.112114E-07 0.100000E-04    0.776090E+00
  88   -0.111717E-05    0.613265E+02  0.182168E-07 0.100000E-04    0.958355E+00
  89    0.193762E-05    0.598241E+02 -0.323887E-07 0.100000E-04    0.944632E+00
  90   -0.221284E-05    0.594054E+02  0.372499E-07 0.100000E-04    0.974706E+00
  91   -0.260658E-05    0.581342E+02  0.448372E-07 0.100000E-04    0.914483E+00
  92    0.349230E-05    0.558630E+02 -0.625154E-07 0.100000E-04    0.945780E+00
  93    0.324282E-05    0.524406E+02 -0.618380E-07 0.100000E-04    0.981050E+00
  94   -0.696881E-06    0.520108E+02  0.133988E-07 0.100000E-04    0.819918E+00
  95   -0.183654E-05    0.502709E+02  0.365329E-07 0.100000E-04    0.882142E+00
  96   -0.108585E-05    0.461367E+02  0.235356E-07 0.100000E-04    0.914562E+00
  97    0.282542E-05    0.433695E+02 -0.651476E-07 0.100000E-04    0.879031E+00
  98   -0.428455E-06    0.409220E+02  0.104700E-07 0.100000E-04    0.626607E+00
  99   -0.169368E-05    0.378657E+02  0.447286E-07 0.100000E-04    0.797346E+00
 100   -0.144726E-05    0.361905E+02  0.399901E-07 0.100000E-04    0.885746E+00
 101    0.103330E-04    0.322493E+02 -0.320410E-06 0.100000E-04    0.936672E+00
 102   -0.304553E-07    0.289187E+02  0.105314E-08 0.109000E-04    0.123350E+00
 103    0.246341E-05    0.284557E+02 -0.865701E-07 0.100000E-04    0.959639E+00
 104    0.142364E-05    0.263133E+02 -0.541034E-07 0.100000E-04    0.671403E+00
 105    0.590444E-05    0.233279E+02 -0.253107E-06 0.100000E-04    0.924971E+00
 106    0.496437E-05    0.213392E+02 -0.232640E-06 0.100000E-04    0.962671E+00
 107   -0.199034E-04    0.198490E+02  0.100274E-05 0.100000E-04    0.917017E+00
 108    0.224206E-04    0.164506E+02 -0.136291E-05 0.100000E-04    0.927705E+00
 109    0.527248E-05    0.139117E+02 -0.378996E-06 0.100000E-04    0.955918E+00
 110   -0.850093E-05    0.122443E+02  0.694275E-06 0.100000E-04    0.844222E+00
 111   -0.161349E-05    0.100868E+02  0.159961E-06 0.100000E-04    0.727357E+00
 112    0.308884E-01    0.914054E+01 -0.100000E-04 0.100000E-04    0.559584E+00
 113    0.100436E+00    0.575626E+01 -0.211949E-04 0.211949E-04    0.145381E+00
 114    0.913748E+00    0.315407E+01  0.100000E-04 0.100000E-04    0.777645E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2119492117E-04    0.2687758653    

 Beginning of optimization cycle  657.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991088779
 potential> RMS force:                                               0.0861457388   |gradient|=.9197847945    
 Eigenvalues of the Hessian matrix:
   746.87330    673.98921    630.83876    600.60733    586.34045    578.89910 
   564.70250    487.43535    460.54167    459.74444    441.63516    429.44908 
   421.87281    407.86084    396.30770    387.39471    370.05415    360.57662 
   349.30784    335.33074    329.34873    321.81762    319.16004    309.33423 
   300.78739    290.60423    279.07025    272.75922    268.55049    264.97040 
   263.86701    253.18545    241.58942    240.79443    234.05241    227.53589 
   217.17076    214.89922    213.24589    207.70131    202.97753    195.39161 
   194.86039    191.38609    182.99691    174.39502    172.34926    168.22987 
   163.20516    156.86275    154.93796    152.24604    146.63482    143.32706 
   138.11957    135.87308    130.27834    128.85062    126.90876    124.01671 
   120.02072    118.17431    116.81596    110.37536    106.81790    104.46499 
   102.85922     99.50889     96.08010     94.09180     91.94779     91.24234 
    88.39290     85.62443     80.83886     80.53646     77.94539     73.27430 
    72.52681     67.90217     64.73043     61.32609     59.82387     59.40545 
    58.13413     55.86277     52.44047     52.01040     50.27152     46.13626 
    43.37011     40.92216     37.86565     36.19013     32.24890     28.91899 
    28.45577     26.31362     23.32778     21.33947     19.84893     16.45048 
    13.91176     12.24436     10.08671      9.14206      5.75643      3.15376 
overlap for current and previous eigenvector    109 is         0.9999999886
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999599
overlap for current and previous eigenvector    112 is         0.9999999272
overlap for current and previous eigenvector    113 is         0.9999999362
overlap for current and previous eigenvector    114 is         0.9999999675
J1,K1,R1,R2,RAT=   7   7    0.4247464723E-02     1.995742373        0.9957423731    
FOB,PFOB,DIAG,PSTEP=   -0.1752299121E-06   -0.1759773736E-06     746.8732985        0.2356199748E-09
J1,K1,R1,R2,RAT=   8   8   -0.4161398417E-01     2.041618037        0.9583860158    
FOB,PFOB,DIAG,PSTEP=   -0.4135503983E-06   -0.3970284943E-06     673.9892069        0.5890712872E-09
J1,K1,R1,R2,RAT=   9   9   -0.4506550265E-01     2.045056256        0.9549344973    
FOB,PFOB,DIAG,PSTEP=   -0.7309870818E-06   -0.6994651859E-06     630.8387588        0.1108791129E-08
J1,K1,R1,R2,RAT=  10  10    -1.332927331         3.332934767        0.3329273311    
FOB,PFOB,DIAG,PSTEP=   -0.3977494363E-07   -0.1704940723E-07     600.6073303        0.2838683944E-10
J1,K1,R1,R2,RAT=  11  11   -0.3274470737         2.327448863        0.6725529263    
FOB,PFOB,DIAG,PSTEP=    0.6960312351E-08    0.5243383352E-08     586.3404453       -0.8942549852E-11
J1,K1,R1,R2,RAT= 109 109   -0.4012243205E-01     2.040113837        0.9598775680    
FOB,PFOB,DIAG,PSTEP=    0.5484027063E-05    0.5272481378E-05     13.91176249       -0.3789961222E-06
J1,K1,R1,R2,RAT= 110 110   -0.1523960392         2.152392431        0.8476039608    
FOB,PFOB,DIAG,PSTEP=   -0.9796442034E-05   -0.8500931419E-05     12.24435702        0.6942746559E-06
J1,K1,R1,R2,RAT= 111 111   -0.3800324994         2.380045028        0.6199675006    
FOB,PFOB,DIAG,PSTEP=   -0.2226661977E-05   -0.1613487958E-05     10.08671223        0.1599607298E-06
J1,K1,R1,R2,RAT= 112 112    0.4120636494         675.3313019        0.5879363506    
FOB,PFOB,DIAG,PSTEP=    0.3085075028E-01    0.3088842137E-01     9.142056866       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7992430666         1647.189547        0.2007569334    
FOB,PFOB,DIAG,PSTEP=    0.1005331644        0.1004356510         5.756430813       -0.2119492117E-04
J1,K1,R1,R2,RAT= 114 114    0.1772959960        -57946.72821        0.8227040040    
FOB,PFOB,DIAG,PSTEP=    0.9137534573        0.9137478658         3.153761014        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00001     -0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03085      0.10053      0.91375 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3813233362
 Log product of positive Hessian eigenvalues =          519.0755097476
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1537610139
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=       -0.0000000024
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=       -0.0000000068
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000162
 Unscaled step for mode   64=       -0.0000000012
 Unscaled step for mode   65=        0.0000000104
 Unscaled step for mode   66=       -0.0000000055
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=        0.0000000038
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=        0.0000000094
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=        0.0000000014
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000165
 Unscaled step for mode   78=       -0.0000000088
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000155
 Unscaled step for mode   83=       -0.0000000029
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=       -0.0000000293
 Unscaled step for mode   86=       -0.0000000082
 Unscaled step for mode   87=        0.0000000138
 Unscaled step for mode   88=        0.0000000175
 Unscaled step for mode   89=       -0.0000000340
 Unscaled step for mode   90=        0.0000000380
 Unscaled step for mode   91=        0.0000000479
 Unscaled step for mode   92=       -0.0000000653
 Unscaled step for mode   93=       -0.0000000626
 Unscaled step for mode   94=        0.0000000116
 Unscaled step for mode   95=        0.0000000407
 Unscaled step for mode   96=        0.0000000251
 Unscaled step for mode   97=       -0.0000000725
 Unscaled step for mode   98=        0.0000000159
 Unscaled step for mode   99=        0.0000000542
 Unscaled step for mode  100=        0.0000000442
 Unscaled step for mode  101=       -0.0000003369
 Unscaled step for mode  102=       -0.0000000066
 Unscaled step for mode  103=       -0.0000000896
 Unscaled step for mode  104=       -0.0000000440
 Unscaled step for mode  105=       -0.0000002693
 Unscaled step for mode  106=       -0.0000002395
 Unscaled step for mode  107=        0.0000010745
 Unscaled step for mode  108=       -0.0000014468
 Unscaled step for mode  109=       -0.0000003942
 Unscaled step for mode  110=        0.0000008001
 Unscaled step for mode  111=        0.0000002208
 Unscaled step for mode  112=       -0.0033745578
 Unscaled step for mode  113=       -0.0174591727
 Unscaled step for mode  114=        0.2688001828
 Largest modulus ratio of non-zero e/values=           236.8198780    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.137867E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.214911E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.574615E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.210769E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.281459E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.500452E-14    0.974315E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175230E-06    0.746873E+03  0.234618E-09 0.100000E-04    0.995742E+00
   8   -0.413550E-06    0.673989E+03  0.613586E-09 0.100000E-04    0.958386E+00
   9   -0.730987E-06    0.630839E+03  0.115875E-08 0.100000E-04    0.954934E+00
  10   -0.397749E-07    0.600607E+03  0.662245E-10 0.100000E-04    0.332927E+00
  11    0.696031E-08    0.586340E+03 -0.118708E-10 0.100000E-04    0.672553E+00
  12   -0.104696E-05    0.578899E+03  0.180853E-08 0.100000E-04    0.951159E+00
  13    0.475391E-07    0.564703E+03 -0.841843E-10 0.100000E-04    0.932559E+00
  14    0.439208E-06    0.487435E+03 -0.901059E-09 0.100000E-04    0.939428E+00
  15   -0.442485E-06    0.460542E+03  0.960793E-09 0.100000E-04    0.948004E+00
  16   -0.132360E-06    0.459744E+03  0.287899E-09 0.100000E-04    0.802865E+00
  17   -0.608290E-06    0.441635E+03  0.137736E-08 0.100000E-04    0.915878E+00
  18   -0.416671E-06    0.429449E+03  0.970245E-09 0.100000E-04    0.942227E+00
  19   -0.139563E-06    0.421873E+03  0.330819E-09 0.100000E-04    0.813332E+00
  20   -0.379163E-06    0.407861E+03  0.929639E-09 0.100000E-04    0.932475E+00
  21   -0.434881E-06    0.396308E+03  0.109733E-08 0.100000E-04    0.928409E+00
  22   -0.636016E-06    0.387395E+03  0.164178E-08 0.100000E-04    0.995399E+00
  23    0.820601E-06    0.370054E+03 -0.221752E-08 0.100000E-04    0.932144E+00
  24   -0.431900E-06    0.360577E+03  0.119780E-08 0.100000E-04    0.983702E+00
  25   -0.711405E-07    0.349308E+03  0.203661E-09 0.100000E-04    0.684975E+00
  26   -0.427118E-07    0.335331E+03  0.127372E-09 0.100000E-04    0.478768E+00
  27    0.379084E-06    0.329349E+03 -0.115101E-08 0.100000E-04    0.898632E+00
  28   -0.400103E-06    0.321818E+03  0.124326E-08 0.100000E-04    0.906045E+00
  29   -0.921865E-07    0.319160E+03  0.288841E-09 0.100000E-04    0.590276E+00
  30   -0.137798E-05    0.309334E+03  0.445466E-08 0.100000E-04    0.969697E+00
  31   -0.105682E-05    0.300787E+03  0.351351E-08 0.100000E-04    0.962895E+00
  32   -0.125390E-05    0.290604E+03  0.431481E-08 0.100000E-04    0.975568E+00
  33   -0.380304E-07    0.279070E+03  0.136275E-09 0.100000E-04    0.120343E+02
  34   -0.332197E-07    0.272759E+03  0.121791E-09 0.100000E-04    0.443217E+00
  35    0.103000E-05    0.268550E+03 -0.383541E-08 0.100000E-04    0.976659E+00
  36    0.125062E-05    0.264970E+03 -0.471984E-08 0.100000E-04    0.987752E+00
  37   -0.513782E-06    0.263867E+03  0.194712E-08 0.100000E-04    0.903966E+00
  38   -0.136873E-06    0.253185E+03  0.540605E-09 0.100000E-04    0.976252E+00
  39   -0.402077E-06    0.241589E+03  0.166430E-08 0.100000E-04    0.924667E+00
  40   -0.124638E-05    0.240794E+03  0.517611E-08 0.100000E-04    0.990021E+00
  41   -0.990190E-06    0.234052E+03  0.423063E-08 0.100000E-04    0.992475E+00
  42   -0.170741E-05    0.227536E+03  0.750390E-08 0.100000E-04    0.972148E+00
  43   -0.379087E-08    0.217171E+03  0.174557E-10 0.100000E-04    0.769391E+00
  44   -0.197052E-05    0.214899E+03  0.916949E-08 0.100000E-04    0.974311E+00
  45    0.708982E-06    0.213246E+03 -0.332472E-08 0.100000E-04    0.983378E+00
  46    0.108306E-05    0.207701E+03 -0.521449E-08 0.100000E-04    0.985977E+00
  47   -0.754013E-06    0.202978E+03  0.371476E-08 0.100000E-04    0.971140E+00
  48   -0.122464E-05    0.195392E+03  0.626764E-08 0.100000E-04    0.937474E+00
  49    0.975491E-06    0.194860E+03 -0.500610E-08 0.100000E-04    0.954687E+00
  50    0.128135E-05    0.191386E+03 -0.669511E-08 0.100000E-04    0.884712E+00
  51    0.226982E-06    0.182997E+03 -0.124036E-08 0.100000E-04    0.868312E+00
  52   -0.611090E-06    0.174395E+03  0.350406E-08 0.100000E-04    0.938355E+00
  53   -0.128489E-06    0.172349E+03  0.745513E-09 0.100000E-04    0.872809E+00
  54    0.215106E-06    0.168230E+03 -0.127864E-08 0.100000E-04    0.946592E+00
  55   -0.815498E-06    0.163205E+03  0.499676E-08 0.100000E-04    0.989672E+00
  56   -0.136479E-05    0.156863E+03  0.870057E-08 0.100000E-04    0.977487E+00
  57    0.375774E-06    0.154938E+03 -0.242532E-08 0.100000E-04    0.825958E+00
  58    0.910154E-06    0.152246E+03 -0.597818E-08 0.100000E-04    0.995918E+00
  59   -0.624736E-06    0.146635E+03  0.426049E-08 0.100000E-04    0.997305E+00
  60   -0.204984E-06    0.143327E+03  0.143018E-08 0.100000E-04    0.676770E+00
  61    0.940490E-06    0.138120E+03 -0.680925E-08 0.100000E-04    0.809106E+00
  62   -0.947797E-06    0.135873E+03  0.697560E-08 0.100000E-04    0.976290E+00
  63   -0.210876E-05    0.130278E+03  0.161866E-07 0.100000E-04    0.925625E+00
  64    0.152202E-06    0.128851E+03 -0.118123E-08 0.100000E-04    0.420611E+00
  65   -0.131419E-05    0.126909E+03  0.103554E-07 0.100000E-04    0.888754E+00
  66    0.685769E-06    0.124017E+03 -0.552965E-08 0.100000E-04    0.889611E+00
  67    0.187286E-05    0.120021E+03 -0.156045E-07 0.100000E-04    0.967209E+00
  68   -0.452803E-06    0.118174E+03  0.383166E-08 0.100000E-04    0.938581E+00
  69   -0.495620E-07    0.116816E+03  0.424275E-09 0.100000E-04    0.377770E+02
  70    0.134634E-05    0.110375E+03 -0.121978E-07 0.100000E-04    0.951998E+00
  71   -0.719187E-06    0.106818E+03  0.673283E-08 0.100000E-04    0.921336E+00
  72   -0.980677E-06    0.104465E+03  0.938761E-08 0.100000E-04    0.890473E+00
  73    0.148706E-06    0.102859E+03 -0.144572E-08 0.100000E-04    0.698251E+00
  74    0.493617E-07    0.995089E+02 -0.496054E-09 0.100000E-04    0.567141E+00
  75   -0.130383E-06    0.960801E+02  0.135703E-08 0.100000E-04    0.527105E+00
  76    0.177536E-06    0.940918E+02 -0.188683E-08 0.100000E-04    0.862128E+00
  77   -0.151905E-05    0.919478E+02  0.165208E-07 0.100000E-04    0.965005E+00
  78    0.800420E-06    0.912423E+02 -0.877247E-08 0.100000E-04    0.976081E+00
  79   -0.736116E-06    0.883929E+02  0.832777E-08 0.100000E-04    0.988338E+00
  80   -0.557472E-06    0.856244E+02  0.651066E-08 0.100000E-04    0.919837E+00
  81    0.127725E-05    0.808389E+02 -0.158000E-07 0.100000E-04    0.996195E+00
  82   -0.124843E-05    0.805365E+02  0.155014E-07 0.100000E-04    0.938790E+00
  83    0.225292E-06    0.779454E+02 -0.289039E-08 0.100000E-04    0.818160E+00
  84    0.388672E-06    0.732743E+02 -0.530434E-08 0.109000E-04    0.174313E+00
  85    0.212270E-05    0.725268E+02 -0.292678E-07 0.100000E-04    0.891979E+00
  86    0.554913E-06    0.679022E+02 -0.817225E-08 0.100000E-04    0.837770E+00
  87   -0.893948E-06    0.647304E+02  0.138103E-07 0.100000E-04    0.768196E+00
  88   -0.107334E-05    0.613261E+02  0.175022E-07 0.100000E-04    0.960765E+00
  89    0.203243E-05    0.598239E+02 -0.339735E-07 0.100000E-04    0.951073E+00
  90   -0.225550E-05    0.594055E+02  0.379679E-07 0.100000E-04    0.980722E+00
  91   -0.278618E-05    0.581341E+02  0.479267E-07 0.100000E-04    0.931097E+00
  92    0.364667E-05    0.558628E+02 -0.652791E-07 0.100000E-04    0.955796E+00
  93    0.328266E-05    0.524405E+02 -0.625979E-07 0.100000E-04    0.987714E+00
  94   -0.601929E-06    0.520104E+02  0.115732E-07 0.100000E-04    0.863747E+00
  95   -0.204697E-05    0.502715E+02  0.407183E-07 0.100000E-04    0.885422E+00
  96   -0.115675E-05    0.461363E+02  0.250724E-07 0.100000E-04    0.934712E+00
  97    0.314225E-05    0.433701E+02 -0.724519E-07 0.100000E-04    0.887867E+00
  98   -0.648740E-06    0.409222E+02  0.158530E-07 0.100000E-04    0.485863E+00
  99   -0.205294E-05    0.378657E+02  0.542165E-07 0.100000E-04    0.787881E+00
 100   -0.160021E-05    0.361901E+02  0.442167E-07 0.100000E-04    0.894318E+00
 101    0.108648E-04    0.322489E+02 -0.336904E-06 0.100000E-04    0.948534E+00
 102    0.190967E-06    0.289190E+02 -0.660351E-08 0.100000E-04    0.427033E+01
 103    0.255046E-05    0.284558E+02 -0.896290E-07 0.100000E-04    0.964664E+00
 104    0.115691E-05    0.263136E+02 -0.439664E-07 0.100000E-04    0.812626E+00
 105    0.628283E-05    0.233278E+02 -0.269328E-06 0.100000E-04    0.935915E+00
 106    0.511066E-05    0.213395E+02 -0.239493E-06 0.100000E-04    0.970532E+00
 107   -0.213278E-04    0.198489E+02  0.107451E-05 0.100000E-04    0.928433E+00
 108    0.238006E-04    0.164505E+02 -0.144680E-05 0.100000E-04    0.938448E+00
 109    0.548403E-05    0.139118E+02 -0.394201E-06 0.100000E-04    0.959878E+00
 110   -0.979644E-05    0.122444E+02  0.800078E-06 0.100000E-04    0.847604E+00
 111   -0.222666E-05    0.100867E+02  0.220752E-06 0.100000E-04    0.619968E+00
 112    0.308508E-01    0.914206E+01 -0.100000E-04 0.100000E-04    0.587936E+00
 113    0.100533E+00    0.575643E+01 -0.190945E-04 0.190945E-04    0.200757E+00
 114    0.913753E+00    0.315376E+01  0.100000E-04 0.100000E-04    0.822704E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1909452358E-04    0.2688001828    

 Beginning of optimization cycle  658.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2991019669
 potential> RMS force:                                               0.0861472609   |gradient|=.9198010463    
 Eigenvalues of the Hessian matrix:
   746.87698    673.98807    630.84156    600.60508    586.34000    578.89923 
   564.69872    487.43508    460.54042    459.74393    441.63466    429.45021 
   421.87220    407.85932    396.30717    387.39333    370.05460    360.57676 
   349.30709    335.33133    329.34955    321.81742    319.16058    309.33312 
   300.78678    290.60428    279.07161    272.75965    268.55069    264.97070 
   263.86753    253.18484    241.58968    240.79477    234.05311    227.53614 
   217.17142    214.89936    213.24562    207.70177    202.97714    195.39083 
   194.86071    191.38653    182.99758    174.39570    172.34949    168.23012 
   163.20486    156.86254    154.93844    152.24587    146.63427    143.32670 
   138.12005    135.87308    130.27812    128.85081    126.90897    124.01567 
   120.02090    118.17445    116.81557    110.37559    106.81777    104.46522 
   102.85930     99.50884     96.07993     94.09160     91.94739     91.24253 
    88.39242     85.62470     80.83894     80.53709     77.94519     73.27413 
    72.52629     67.90191     64.73002     61.32566     59.82362     59.40555 
    58.13411     55.86258     52.44039     52.01007     50.27208     46.13587 
    43.37064     40.92228     37.86563     36.18986     32.24855     28.91932 
    28.45582     26.31388     23.32768     21.33973     19.84882     16.45039 
    13.91182     12.24438     10.08665      9.14348      5.75658      3.15346 
overlap for current and previous eigenvector    109 is        -0.9999999901
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999663
overlap for current and previous eigenvector    112 is         0.9999999373
overlap for current and previous eigenvector    113 is         0.9999999437
overlap for current and previous eigenvector    114 is         0.9999999718
J1,K1,R1,R2,RAT=   7   7   -0.1129310180E-01     2.011283237        0.9887068982    
FOB,PFOB,DIAG,PSTEP=   -0.1772088111E-06   -0.1752299121E-06     746.8769824        0.2346179900E-09
J1,K1,R1,R2,RAT=   8   8    0.4785624900E-01     1.952147139        0.9521437510    
FOB,PFOB,DIAG,PSTEP=   -0.3937594610E-06   -0.4135503983E-06     673.9880651        0.6135860843E-09
J1,K1,R1,R2,RAT=   9   9    0.5231386472E-01     1.947677244        0.9476772440    
FOB,PFOB,DIAG,PSTEP=   -0.6927461525E-06   -0.7309870818E-06     630.8415633        0.1158754232E-08
J1,K1,R1,R2,RAT=  10  10    0.6622535393         1.337753958        0.3377464607    
FOB,PFOB,DIAG,PSTEP=   -0.1343394518E-07   -0.3977494363E-07     600.6050787        0.6622453910E-10
J1,K1,R1,R2,RAT=  11  11    0.4590955976         1.540905936        0.5409044024    
FOB,PFOB,DIAG,PSTEP=    0.3764866043E-08    0.6960312351E-08     586.3399958       -0.1187076963E-10
J1,K1,R1,R2,RAT= 109 109     1.956633546        0.4335801598E-01    0.9566335463    
FOB,PFOB,DIAG,PSTEP=   -0.5246249527E-05    0.5484027063E-05     13.91182118       -0.3942007396E-06
J1,K1,R1,R2,RAT= 110 110    0.1572746740         1.842721666        0.8427216661    
FOB,PFOB,DIAG,PSTEP=   -0.8255706987E-05   -0.9796442034E-05     12.24437942        0.8000781112E-06
J1,K1,R1,R2,RAT= 111 111    0.2684856498         1.731527368        0.7315143502    
FOB,PFOB,DIAG,PSTEP=   -0.1628839081E-05   -0.2226661977E-05     10.08664658        0.2207520078E-06
J1,K1,R1,R2,RAT= 112 112    0.4465414172         674.3674348        0.5534585828    
FOB,PFOB,DIAG,PSTEP=    0.3080992084E-01    0.3085075028E-01     9.143482905       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8601702158         1830.079234        0.1398297842    
FOB,PFOB,DIAG,PSTEP=    0.1006277136        0.1005331644         5.756583418       -0.1909452358E-04
J1,K1,R1,R2,RAT= 114 114    0.2324271294        -57952.62695        0.7675728706    
FOB,PFOB,DIAG,PSTEP=    0.9137607868        0.9137534573         3.153462302        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00001     -0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.03081      0.10063      0.91376 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3813007655
 Log product of positive Hessian eigenvalues =          519.0755739889
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1534623024
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000017
 Unscaled step for mode   38=        0.0000000006
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000043
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000059
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000032
 Unscaled step for mode   53=       -0.0000000009
 Unscaled step for mode   54=        0.0000000014
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=        0.0000000020
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000043
 Unscaled step for mode   60=       -0.0000000010
 Unscaled step for mode   61=       -0.0000000055
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=        0.0000000148
 Unscaled step for mode   64=       -0.0000000003
 Unscaled step for mode   65=        0.0000000091
 Unscaled step for mode   66=       -0.0000000049
 Unscaled step for mode   67=        0.0000000150
 Unscaled step for mode   68=        0.0000000036
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000115
 Unscaled step for mode   71=        0.0000000061
 Unscaled step for mode   72=       -0.0000000108
 Unscaled step for mode   73=        0.0000000010
 Unscaled step for mode   74=        0.0000000009
 Unscaled step for mode   75=        0.0000000028
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=        0.0000000085
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000060
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000144
 Unscaled step for mode   83=        0.0000000036
 Unscaled step for mode   84=       -0.0000000024
 Unscaled step for mode   85=       -0.0000000260
 Unscaled step for mode   86=        0.0000000068
 Unscaled step for mode   87=        0.0000000106
 Unscaled step for mode   88=       -0.0000000182
 Unscaled step for mode   89=        0.0000000321
 Unscaled step for mode   90=       -0.0000000370
 Unscaled step for mode   91=       -0.0000000438
 Unscaled step for mode   92=       -0.0000000618
 Unscaled step for mode   93=       -0.0000000614
 Unscaled step for mode   94=       -0.0000000136
 Unscaled step for mode   95=       -0.0000000359
 Unscaled step for mode   96=       -0.0000000229
 Unscaled step for mode   97=       -0.0000000637
 Unscaled step for mode   98=       -0.0000000097
 Unscaled step for mode   99=        0.0000000430
 Unscaled step for mode  100=        0.0000000392
 Unscaled step for mode  101=       -0.0000003156
 Unscaled step for mode  102=        0.0000000028
 Unscaled step for mode  103=       -0.0000000861
 Unscaled step for mode  104=       -0.0000000572
 Unscaled step for mode  105=       -0.0000002492
 Unscaled step for mode  106=        0.0000002307
 Unscaled step for mode  107=       -0.0000009854
 Unscaled step for mode  108=        0.0000013425
 Unscaled step for mode  109=        0.0000003771
 Unscaled step for mode  110=        0.0000006742
 Unscaled step for mode  111=        0.0000001615
 Unscaled step for mode  112=       -0.0033695662
 Unscaled step for mode  113=       -0.0174751196
 Unscaled step for mode  114=        0.2688240786
 Largest modulus ratio of non-zero e/values=           236.8434789    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.105276E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.176654E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.786067E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.226002E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.105460E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.377241E-14    0.974315E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.177209E-06    0.746877E+03  0.237266E-09 0.100000E-04    0.988707E+00
   8   -0.393759E-06    0.673988E+03  0.584223E-09 0.100000E-04    0.952144E+00
   9   -0.692746E-06    0.630842E+03  0.109813E-08 0.100000E-04    0.947677E+00
  10   -0.134339E-07    0.600605E+03  0.223674E-10 0.100000E-04    0.337746E+00
  11    0.376487E-08    0.586340E+03 -0.642096E-11 0.100000E-04    0.540904E+00
  12   -0.988942E-06    0.578899E+03  0.170832E-08 0.100000E-04    0.944588E+00
  13    0.513443E-07    0.564699E+03 -0.909234E-10 0.100000E-04    0.919954E+00
  14    0.410297E-06    0.487435E+03 -0.841748E-09 0.100000E-04    0.934175E+00
  15   -0.416002E-06    0.460540E+03  0.903290E-09 0.100000E-04    0.940149E+00
  16   -0.106337E-06    0.459744E+03  0.231297E-09 0.100000E-04    0.803395E+00
  17   -0.552847E-06    0.441635E+03  0.125182E-08 0.100000E-04    0.908855E+00
  18   -0.388827E-06    0.429450E+03  0.905408E-09 0.100000E-04    0.933171E+00
  19   -0.177109E-06    0.421872E+03  0.419818E-09 0.100000E-04    0.730975E+00
  20   -0.350323E-06    0.407859E+03  0.858932E-09 0.100000E-04    0.923938E+00
  21   -0.400232E-06    0.396307E+03  0.100990E-08 0.100000E-04    0.920325E+00
  22   -0.630787E-06    0.387393E+03  0.162829E-08 0.100000E-04    0.991779E+00
  23    0.758736E-06    0.370055E+03 -0.205033E-08 0.100000E-04    0.924607E+00
  24   -0.423143E-06    0.360577E+03  0.117352E-08 0.100000E-04    0.979725E+00
  25   -0.108917E-06    0.349307E+03  0.311809E-09 0.100000E-04    0.468988E+00
  26   -0.996263E-07    0.335331E+03  0.297098E-09 0.100000E-04    0.332520E+00
  27    0.336189E-06    0.329350E+03 -0.102077E-08 0.100000E-04    0.886841E+00
  28   -0.357578E-06    0.321817E+03  0.111112E-08 0.100000E-04    0.893716E+00
  29   -0.205419E-07    0.319161E+03  0.643623E-10 0.100000E-04    0.222828E+00
  30   -0.132296E-05    0.309333E+03  0.427683E-08 0.100000E-04    0.960075E+00
  31   -0.101058E-05    0.300787E+03  0.335979E-08 0.100000E-04    0.956247E+00
  32   -0.121527E-05    0.290604E+03  0.418188E-08 0.100000E-04    0.969192E+00
  33    0.111266E-07    0.279072E+03 -0.398699E-10 0.100000E-04    0.292564E+00
  34   -0.845974E-07    0.272760E+03  0.310154E-09 0.100000E-04    0.546605E+00
  35    0.998408E-06    0.268551E+03 -0.371776E-08 0.100000E-04    0.969325E+00
  36    0.123072E-05    0.264971E+03 -0.464474E-08 0.100000E-04    0.984088E+00
  37   -0.460752E-06    0.263868E+03  0.174615E-08 0.100000E-04    0.896782E+00
  38   -0.140445E-06    0.253185E+03  0.554715E-09 0.100000E-04    0.973901E+00
  39   -0.443705E-06    0.241590E+03  0.183661E-08 0.100000E-04    0.896469E+00
  40   -0.122942E-05    0.240795E+03  0.510567E-08 0.100000E-04    0.986390E+00
  41   -0.999635E-06    0.234053E+03  0.427097E-08 0.100000E-04    0.990462E+00
  42   -0.164546E-05    0.227536E+03  0.723164E-08 0.100000E-04    0.963716E+00
  43   -0.134435E-08    0.217171E+03  0.619025E-11 0.100000E-04    0.354623E+00
  44   -0.190920E-05    0.214899E+03  0.888414E-08 0.100000E-04    0.968880E+00
  45    0.720651E-06    0.213246E+03 -0.337944E-08 0.100000E-04    0.983541E+00
  46    0.106664E-05    0.207702E+03 -0.513543E-08 0.100000E-04    0.984836E+00
  47   -0.729168E-06    0.202977E+03  0.359237E-08 0.100000E-04    0.967049E+00
  48   -0.113396E-05    0.195391E+03  0.580353E-08 0.100000E-04    0.925947E+00
  49    0.926037E-06    0.194861E+03 -0.475230E-08 0.100000E-04    0.949300E+00
  50    0.112119E-05    0.191387E+03 -0.585825E-08 0.100000E-04    0.875001E+00
  51    0.194699E-06    0.182998E+03 -0.106394E-08 0.100000E-04    0.857767E+00
  52   -0.566655E-06    0.174396E+03  0.324925E-08 0.100000E-04    0.927278E+00
  53    0.151512E-06    0.172349E+03 -0.879097E-09 0.100000E-04    0.820815E+00
  54   -0.228639E-06    0.168230E+03  0.135908E-08 0.100000E-04    0.937088E+00
  55   -0.820617E-06    0.163205E+03  0.502814E-08 0.100000E-04    0.993723E+00
  56    0.132835E-05    0.156863E+03 -0.846822E-08 0.100000E-04    0.973294E+00
  57   -0.311815E-06    0.154938E+03  0.201251E-08 0.100000E-04    0.829787E+00
  58   -0.910921E-06    0.152246E+03  0.598322E-08 0.100000E-04    0.999157E+00
  59    0.624292E-06    0.146634E+03 -0.425747E-08 0.100000E-04    0.999288E+00
  60    0.147454E-06    0.143327E+03 -0.102879E-08 0.100000E-04    0.719342E+00
  61    0.761408E-06    0.138120E+03 -0.551265E-08 0.100000E-04    0.809580E+00
  62   -0.918821E-06    0.135873E+03  0.676235E-08 0.100000E-04    0.969428E+00
  63   -0.193053E-05    0.130278E+03  0.148185E-07 0.100000E-04    0.915481E+00
  64    0.436689E-07    0.128851E+03 -0.338911E-09 0.100000E-04    0.286912E+00
  65   -0.115944E-05    0.126909E+03  0.913601E-08 0.100000E-04    0.882242E+00
  66    0.606966E-06    0.124016E+03 -0.489427E-08 0.100000E-04    0.885088E+00
  67   -0.179922E-05    0.120021E+03  0.149909E-07 0.100000E-04    0.960676E+00
  68   -0.421370E-06    0.118174E+03  0.356566E-08 0.100000E-04    0.930578E+00
  69    0.645337E-08    0.116816E+03 -0.552441E-10 0.109000E-04    0.130205E+00
  70    0.127140E-05    0.110376E+03 -0.115189E-07 0.100000E-04    0.944338E+00
  71   -0.656714E-06    0.106818E+03  0.614799E-08 0.100000E-04    0.913134E+00
  72    0.112465E-05    0.104465E+03 -0.107658E-07 0.100000E-04    0.853185E+00
  73   -0.107097E-06    0.102859E+03  0.104120E-08 0.100000E-04    0.720194E+00
  74   -0.915187E-07    0.995088E+02  0.919705E-09 0.109000E-04    0.145957E+00
  75   -0.266191E-06    0.960799E+02  0.277052E-08 0.109000E-04    0.416052E-01
  76    0.150267E-06    0.940916E+02 -0.159703E-08 0.100000E-04    0.846405E+00
  77   -0.158126E-05    0.919474E+02  0.171974E-07 0.100000E-04    0.959047E+00
  78   -0.773765E-06    0.912425E+02  0.848031E-08 0.100000E-04    0.966694E+00
  79   -0.722555E-06    0.883924E+02  0.817440E-08 0.100000E-04    0.981578E+00
  80   -0.509669E-06    0.856247E+02  0.595236E-08 0.100000E-04    0.914245E+00
  81    0.126776E-05    0.808389E+02 -0.156825E-07 0.100000E-04    0.992564E+00
  82   -0.116117E-05    0.805371E+02  0.144178E-07 0.100000E-04    0.930090E+00
  83   -0.284011E-06    0.779452E+02  0.364372E-08 0.100000E-04    0.739369E+00
  84    0.179146E-06    0.732741E+02 -0.244488E-08 0.100000E-04    0.460917E+00
  85    0.188206E-05    0.725263E+02 -0.259500E-07 0.100000E-04    0.886634E+00
  86   -0.460680E-06    0.679019E+02  0.678449E-08 0.100000E-04    0.830183E+00
  87   -0.688088E-06    0.647300E+02  0.106301E-07 0.100000E-04    0.769716E+00
  88    0.111759E-05    0.613257E+02 -0.182239E-07 0.100000E-04    0.958774E+00
  89   -0.192123E-05    0.598236E+02  0.321150E-07 0.100000E-04    0.945291E+00
  90    0.219905E-05    0.594056E+02 -0.370177E-07 0.100000E-04    0.974971E+00
  91    0.254710E-05    0.581341E+02 -0.438141E-07 0.100000E-04    0.914191E+00
  92    0.344996E-05    0.558626E+02 -0.617580E-07 0.100000E-04    0.946058E+00
  93    0.322129E-05    0.524404E+02 -0.614277E-07 0.100000E-04    0.981305E+00
  94    0.706647E-06    0.520101E+02 -0.135867E-07 0.100000E-04    0.826028E+00
  95    0.180600E-05    0.502721E+02 -0.359245E-07 0.100000E-04    0.882257E+00
  96    0.105728E-05    0.461359E+02 -0.229167E-07 0.100000E-04    0.914012E+00
  97    0.276078E-05    0.433706E+02 -0.636556E-07 0.100000E-04    0.878579E+00
  98    0.397762E-06    0.409223E+02 -0.971993E-08 0.100000E-04    0.613125E+00
  99   -0.162994E-05    0.378656E+02  0.430454E-07 0.100000E-04    0.793955E+00
 100   -0.141688E-05    0.361899E+02  0.391512E-07 0.100000E-04    0.885431E+00
 101    0.101789E-04    0.322485E+02 -0.315638E-06 0.100000E-04    0.936867E+00
 102   -0.818483E-07    0.289193E+02  0.283023E-08 0.100000E-04    0.428584E+00
 103    0.244887E-05    0.284558E+02 -0.860587E-07 0.100000E-04    0.960164E+00
 104    0.150414E-05    0.263139E+02 -0.571616E-07 0.100000E-04    0.699868E+00
 105    0.581220E-05    0.233277E+02 -0.249155E-06 0.100000E-04    0.925092E+00
 106   -0.492265E-05    0.213397E+02  0.230680E-06 0.100000E-04    0.963190E+00
 107    0.195583E-04    0.198488E+02 -0.985362E-06 0.100000E-04    0.917032E+00
 108   -0.220842E-04    0.164504E+02  0.134247E-05 0.100000E-04    0.927882E+00
 109   -0.524625E-05    0.139118E+02  0.377107E-06 0.100000E-04    0.956634E+00
 110   -0.825571E-05    0.122444E+02  0.674245E-06 0.100000E-04    0.842722E+00
 111   -0.162884E-05    0.100866E+02  0.161485E-06 0.100000E-04    0.731514E+00
 112    0.308099E-01    0.914348E+01 -0.100000E-04 0.100000E-04    0.553459E+00
 113    0.100628E+00    0.575658E+01 -0.208130E-04 0.208130E-04    0.139830E+00
 114    0.913761E+00    0.315346E+01  0.100000E-04 0.100000E-04    0.767573E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2081303070E-04    0.2688240786    

 Beginning of optimization cycle  659.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990952300
 potential> RMS force:                                               0.0861486807   |gradient|=.9198162051    
 Eigenvalues of the Hessian matrix:
   746.88074    673.98673    630.84445    600.60285    586.33949    578.89936 
   564.69471    487.43472    460.53914    459.74340    441.63411    429.45148 
   421.87156    407.85771    396.30659    387.39191    370.05508    360.57693 
   349.30639    335.33195    329.35042    321.81716    319.16124    309.33198 
   300.78621    290.60435    279.07307    272.76011    268.55095    264.97101 
   263.86813    253.18426    241.59002    240.79512    234.05389    227.53645 
   217.17215    214.89950    213.24535    207.70226    202.97674    195.39004 
   194.86107    191.38698    182.99830    174.39643    172.34974    168.23039 
   163.20455    156.86232    154.93894    152.24569    146.63368    143.32631 
   138.12056    135.87307    130.27787    128.85101    126.90917    124.01456 
   120.02108    118.17457    116.81515    110.37583    106.81761    104.46544 
   102.85938     99.50877     96.07973     94.09138     91.94699     91.24274 
    88.39192     85.62500     80.83903     80.53775     77.94497     73.27392 
    72.52572     67.90161     64.72959     61.32523     59.82335     59.40565 
    58.13407     55.86235     52.44028     52.00970     50.27266     46.13545 
    43.37121     40.92239     37.86559     36.18952     32.24817     28.91964 
    28.45588     26.31416     23.32758     21.33997     19.84873     16.45029 
    13.91188     12.24440     10.08658      9.14499      5.75675      3.15315 
overlap for current and previous eigenvector    109 is         0.9999999888
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999606
overlap for current and previous eigenvector    112 is         0.9999999287
overlap for current and previous eigenvector    113 is         0.9999999379
overlap for current and previous eigenvector    114 is         0.9999999685
J1,K1,R1,R2,RAT=   7   7    0.4216295919E-02     1.995773633        0.9957736332    
FOB,PFOB,DIAG,PSTEP=   -0.1764616425E-06   -0.1772088111E-06     746.8807433        0.2372663976E-09
J1,K1,R1,R2,RAT=   8   8   -0.4121233178E-01     2.041216299        0.9587876682    
FOB,PFOB,DIAG,PSTEP=   -0.4099871743E-06   -0.3937594610E-06     673.9867281        0.5842231953E-09
J1,K1,R1,R2,RAT=   9   9   -0.4463594285E-01     2.044626785        0.9553640571    
FOB,PFOB,DIAG,PSTEP=   -0.7236676718E-06   -0.6927461525E-06     630.8444520        0.1098130169E-08
J1,K1,R1,R2,RAT=  10  10    -1.663209618         3.663217037        0.6632096180    
FOB,PFOB,DIAG,PSTEP=   -0.3577732914E-07   -0.1343394518E-07     600.6028509        0.2236735195E-10
J1,K1,R1,R2,RAT=  11  11   -0.4405827977         2.440584537        0.5594172023    
FOB,PFOB,DIAG,PSTEP=    0.5423599814E-08    0.3764866043E-08     586.3394857       -0.6420960654E-11
J1,K1,R1,R2,RAT= 109 109   -0.3943032525E-01     2.039421719        0.9605696748    
FOB,PFOB,DIAG,PSTEP=   -0.5453111742E-05   -0.5246249527E-05     13.91188105        0.3771073145E-06
J1,K1,R1,R2,RAT= 110 110   -0.1541270016         2.154123296        0.8458729984    
FOB,PFOB,DIAG,PSTEP=   -0.9528136709E-05   -0.8255706987E-05     12.24440211        0.6742446229E-06
J1,K1,R1,R2,RAT= 111 111   -0.3714449054         2.371457344        0.6285550946    
FOB,PFOB,DIAG,PSTEP=   -0.2233859296E-05   -0.1628839081E-05     10.08658385        0.1614846984E-06
J1,K1,R1,R2,RAT= 112 112    0.4187303511         673.3913981        0.5812696489    
FOB,PFOB,DIAG,PSTEP=    0.3077162801E-01    0.3080992084E-01     9.144985967       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8042674534         1680.516068        0.1957325466    
FOB,PFOB,DIAG,PSTEP=    0.1007240773        0.1006277136         5.756751762       -0.2081303070E-04
J1,K1,R1,R2,RAT= 114 114    0.1881377268        -57958.72382        0.8118622732    
FOB,PFOB,DIAG,PSTEP=    0.9137667191        0.9137607868         3.153153461        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.03077      0.10072      0.91377 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3812795849
 Log product of positive Hessian eigenvalues =          519.0756426246
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1531534607
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000042
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=       -0.0000000066
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000159
 Unscaled step for mode   64=       -0.0000000010
 Unscaled step for mode   65=        0.0000000102
 Unscaled step for mode   66=       -0.0000000054
 Unscaled step for mode   67=        0.0000000155
 Unscaled step for mode   68=        0.0000000038
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=       -0.0000000121
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=       -0.0000000096
 Unscaled step for mode   73=        0.0000000014
 Unscaled step for mode   74=        0.0000000005
 Unscaled step for mode   75=        0.0000000016
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=       -0.0000000166
 Unscaled step for mode   78=       -0.0000000087
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000153
 Unscaled step for mode   83=        0.0000000030
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=       -0.0000000288
 Unscaled step for mode   86=        0.0000000079
 Unscaled step for mode   87=        0.0000000132
 Unscaled step for mode   88=       -0.0000000175
 Unscaled step for mode   89=        0.0000000337
 Unscaled step for mode   90=       -0.0000000377
 Unscaled step for mode   91=       -0.0000000468
 Unscaled step for mode   92=       -0.0000000645
 Unscaled step for mode   93=       -0.0000000622
 Unscaled step for mode   94=       -0.0000000118
 Unscaled step for mode   95=       -0.0000000400
 Unscaled step for mode   96=       -0.0000000244
 Unscaled step for mode   97=       -0.0000000708
 Unscaled step for mode   98=       -0.0000000150
 Unscaled step for mode   99=        0.0000000524
 Unscaled step for mode  100=        0.0000000433
 Unscaled step for mode  101=       -0.0000003318
 Unscaled step for mode  102=       -0.0000000047
 Unscaled step for mode  103=       -0.0000000891
 Unscaled step for mode  104=       -0.0000000472
 Unscaled step for mode  105=       -0.0000002651
 Unscaled step for mode  106=        0.0000002374
 Unscaled step for mode  107=       -0.0000010559
 Unscaled step for mode  108=        0.0000014249
 Unscaled step for mode  109=        0.0000003920
 Unscaled step for mode  110=        0.0000007782
 Unscaled step for mode  111=        0.0000002215
 Unscaled step for mode  112=       -0.0033648252
 Unscaled step for mode  113=       -0.0174913328
 Unscaled step for mode  114=        0.2688483696
 Largest modulus ratio of non-zero e/values=           236.8678698    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.669386E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.258149E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.523453E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.133881E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.227334E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.535105E-14    0.974315E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176462E-06    0.746881E+03  0.236265E-09 0.100000E-04    0.995774E+00
   8   -0.409987E-06    0.673987E+03  0.608302E-09 0.100000E-04    0.958788E+00
   9   -0.723668E-06    0.630844E+03  0.114714E-08 0.100000E-04    0.955364E+00
  10   -0.357773E-07    0.600603E+03  0.595690E-10 0.100000E-04    0.663210E+00
  11    0.542360E-08    0.586339E+03 -0.924993E-11 0.100000E-04    0.559417E+00
  12   -0.103678E-05    0.578899E+03  0.179096E-08 0.100000E-04    0.951624E+00
  13    0.479576E-07    0.564695E+03 -0.849267E-10 0.100000E-04    0.934039E+00
  14    0.434916E-06    0.487435E+03 -0.892254E-09 0.100000E-04    0.939999E+00
  15   -0.437477E-06    0.460539E+03  0.949923E-09 0.100000E-04    0.948378E+00
  16   -0.127749E-06    0.459743E+03  0.277869E-09 0.100000E-04    0.798647E+00
  17   -0.599198E-06    0.441634E+03  0.135677E-08 0.100000E-04    0.916160E+00
  18   -0.411165E-06    0.429451E+03  0.957420E-09 0.100000E-04    0.942551E+00
  19   -0.145611E-06    0.421872E+03  0.345154E-09 0.100000E-04    0.822150E+00
  20   -0.373855E-06    0.407858E+03  0.916631E-09 0.100000E-04    0.932828E+00
  21   -0.428765E-06    0.396307E+03  0.108190E-08 0.100000E-04    0.928707E+00
  22   -0.633604E-06    0.387392E+03  0.163556E-08 0.100000E-04    0.995534E+00
  23    0.809921E-06    0.370055E+03 -0.218865E-08 0.100000E-04    0.932538E+00
  24   -0.429905E-06    0.360577E+03  0.119227E-08 0.100000E-04    0.984021E+00
  25   -0.767566E-07    0.349306E+03  0.219740E-09 0.100000E-04    0.704726E+00
  26   -0.538859E-07    0.335332E+03  0.160694E-09 0.100000E-04    0.540877E+00
  27    0.370451E-06    0.329350E+03 -0.112479E-08 0.100000E-04    0.898085E+00
  28   -0.391330E-06    0.321817E+03  0.121600E-08 0.100000E-04    0.905609E+00
  29   -0.761921E-07    0.319161E+03  0.238726E-09 0.100000E-04    0.170910E+01
  30   -0.136275E-05    0.309332E+03  0.440545E-08 0.100000E-04    0.969929E+00
  31   -0.104768E-05    0.300786E+03  0.348315E-08 0.100000E-04    0.963288E+00
  32   -0.124460E-05    0.290604E+03  0.428281E-08 0.100000E-04    0.975865E+00
  33   -0.289434E-07    0.279073E+03  0.103713E-09 0.100000E-04    0.601279E+00
  34   -0.435460E-07    0.272760E+03  0.159650E-09 0.100000E-04    0.514742E+00
  35    0.102144E-05    0.268551E+03 -0.380353E-08 0.100000E-04    0.976929E+00
  36    0.124550E-05    0.264971E+03 -0.470050E-08 0.100000E-04    0.987995E+00
  37   -0.504966E-06    0.263868E+03  0.191371E-08 0.100000E-04    0.904040E+00
  38   -0.137139E-06    0.253184E+03  0.541658E-09 0.100000E-04    0.976459E+00
  39   -0.411490E-06    0.241590E+03  0.170326E-08 0.100000E-04    0.927394E+00
  40   -0.124146E-05    0.240795E+03  0.515565E-08 0.100000E-04    0.990210E+00
  41   -0.992186E-06    0.234054E+03  0.423914E-08 0.100000E-04    0.992542E+00
  42   -0.169082E-05    0.227536E+03  0.743099E-08 0.100000E-04    0.972433E+00
  43   -0.202598E-08    0.217172E+03  0.932891E-11 0.100000E-04    0.492964E+00
  44   -0.195755E-05    0.214900E+03  0.910915E-08 0.100000E-04    0.974672E+00
  45    0.708829E-06    0.213245E+03 -0.332401E-08 0.100000E-04    0.983595E+00
  46    0.108129E-05    0.207702E+03 -0.520597E-08 0.100000E-04    0.986261E+00
  47   -0.749898E-06    0.202977E+03  0.369450E-08 0.100000E-04    0.971571E+00
  48   -0.120475E-05    0.195390E+03  0.616585E-08 0.100000E-04    0.937573E+00
  49    0.967589E-06    0.194861E+03 -0.496553E-08 0.100000E-04    0.955129E+00
  50    0.125123E-05    0.191387E+03 -0.653770E-08 0.100000E-04    0.884016E+00
  51    0.220650E-06    0.182998E+03 -0.120575E-08 0.100000E-04    0.866711E+00
  52   -0.601514E-06    0.174396E+03  0.344912E-08 0.100000E-04    0.938482E+00
  53    0.133137E-06    0.172350E+03 -0.772480E-09 0.100000E-04    0.878719E+00
  54   -0.216710E-06    0.168230E+03  0.128817E-08 0.100000E-04    0.947822E+00
  55   -0.812154E-06    0.163205E+03  0.497629E-08 0.100000E-04    0.989687E+00
  56    0.135779E-05    0.156862E+03 -0.865593E-08 0.100000E-04    0.977835E+00
  57   -0.366516E-06    0.154939E+03  0.236555E-08 0.100000E-04    0.824570E+00
  58   -0.907211E-06    0.152246E+03  0.595886E-08 0.100000E-04    0.995928E+00
  59    0.622569E-06    0.146634E+03 -0.424574E-08 0.100000E-04    0.997241E+00
  60    0.196644E-06    0.143326E+03 -0.137200E-08 0.100000E-04    0.666403E+00
  61    0.909516E-06    0.138121E+03 -0.658494E-08 0.100000E-04    0.805483E+00
  62   -0.940354E-06    0.135873E+03  0.692083E-08 0.100000E-04    0.976564E+00
  63   -0.207396E-05    0.130278E+03  0.159195E-07 0.100000E-04    0.925706E+00
  64    0.131526E-06    0.128851E+03 -0.102076E-08 0.100000E-04    0.101189E+01
  65   -0.128861E-05    0.126909E+03  0.101538E-07 0.100000E-04    0.888591E+00
  66    0.673994E-06    0.124015E+03 -0.543479E-08 0.100000E-04    0.889569E+00
  67   -0.185753E-05    0.120021E+03  0.154767E-07 0.100000E-04    0.967592E+00
  68   -0.447070E-06    0.118175E+03  0.378313E-08 0.100000E-04    0.939009E+00
  69   -0.434487E-07    0.116815E+03  0.371944E-09 0.100000E-04    0.473275E+01
  70    0.133189E-05    0.110376E+03 -0.120668E-07 0.100000E-04    0.952428E+00
  71   -0.708313E-06    0.106818E+03  0.663105E-08 0.100000E-04    0.921430E+00
  72    0.100604E-05    0.104465E+03 -0.963037E-08 0.100000E-04    0.894529E+00
  73   -0.140874E-06    0.102859E+03  0.136957E-08 0.100000E-04    0.684623E+00
  74   -0.545189E-07    0.995088E+02  0.547880E-09 0.100000E-04    0.595713E+00
  75   -0.151212E-06    0.960797E+02  0.157381E-08 0.100000E-04    0.568055E+00
  76    0.171274E-06    0.940914E+02 -0.182030E-08 0.100000E-04    0.860202E+00
  77    0.152707E-05    0.919470E+02 -0.166081E-07 0.100000E-04    0.965727E+00
  78    0.792073E-06    0.912427E+02 -0.868095E-08 0.100000E-04    0.976338E+00
  79   -0.730898E-06    0.883919E+02  0.826884E-08 0.100000E-04    0.988453E+00
  80   -0.550384E-06    0.856250E+02  0.642784E-08 0.100000E-04    0.920115E+00
  81    0.127244E-05    0.808390E+02 -0.157404E-07 0.100000E-04    0.996307E+00
  82   -0.123192E-05    0.805378E+02  0.152962E-07 0.100000E-04    0.939072E+00
  83   -0.234662E-06    0.779450E+02  0.301061E-08 0.100000E-04    0.826244E+00
  84    0.351752E-06    0.732739E+02 -0.480050E-08 0.109000E-04    0.365069E-01
  85    0.208541E-05    0.725257E+02 -0.287541E-07 0.100000E-04    0.891952E+00
  86   -0.536701E-06    0.679016E+02  0.790410E-08 0.100000E-04    0.834979E+00
  87   -0.853453E-06    0.647296E+02  0.131849E-07 0.100000E-04    0.759672E+00
  88    0.107425E-05    0.613252E+02 -0.175172E-07 0.100000E-04    0.961217E+00
  89   -0.201410E-05    0.598234E+02  0.336674E-07 0.100000E-04    0.951663E+00
  90    0.224100E-05    0.594056E+02 -0.377237E-07 0.100000E-04    0.980926E+00
  91    0.272326E-05    0.581341E+02 -0.468445E-07 0.100000E-04    0.930837E+00
  92    0.360163E-05    0.558624E+02 -0.644733E-07 0.100000E-04    0.956037E+00
  93    0.326032E-05    0.524403E+02 -0.621720E-07 0.100000E-04    0.987885E+00
  94    0.613170E-06    0.520097E+02 -0.117895E-07 0.100000E-04    0.867717E+00
  95    0.201276E-05    0.502727E+02 -0.400369E-07 0.100000E-04    0.885516E+00
  96    0.112677E-05    0.461354E+02 -0.244230E-07 0.100000E-04    0.934277E+00
  97    0.307171E-05    0.433712E+02 -0.708237E-07 0.100000E-04    0.887379E+00
  98    0.614252E-06    0.409224E+02 -0.150102E-07 0.100000E-04    0.455730E+00
  99   -0.198290E-05    0.378656E+02  0.523669E-07 0.100000E-04    0.783452E+00
 100   -0.156705E-05    0.361895E+02  0.433012E-07 0.100000E-04    0.894009E+00
 101    0.107010E-04    0.322482E+02 -0.331833E-06 0.100000E-04    0.948705E+00
 102    0.135950E-06    0.289196E+02 -0.470095E-08 0.100000E-04    0.339011E+00
 103    0.253427E-05    0.284559E+02 -0.890597E-07 0.100000E-04    0.965125E+00
 104    0.124114E-05    0.263142E+02 -0.471664E-07 0.100000E-04    0.825130E+00
 105    0.618403E-05    0.233276E+02 -0.265095E-06 0.100000E-04    0.936025E+00
 106   -0.506562E-05    0.213400E+02  0.237377E-06 0.100000E-04    0.970959E+00
 107    0.209578E-04    0.198487E+02 -0.105588E-05 0.100000E-04    0.928441E+00
 108   -0.234399E-04    0.164503E+02  0.142489E-05 0.100000E-04    0.938611E+00
 109   -0.545311E-05    0.139119E+02  0.391975E-06 0.100000E-04    0.960570E+00
 110   -0.952814E-05    0.122444E+02  0.778163E-06 0.100000E-04    0.845873E+00
 111   -0.223386E-05    0.100866E+02  0.221468E-06 0.100000E-04    0.628555E+00
 112    0.307716E-01    0.914499E+01 -0.100000E-04 0.100000E-04    0.581270E+00
 113    0.100724E+00    0.575675E+01 -0.226862E-04 0.226862E-04    0.195733E+00
 114    0.913767E+00    0.315315E+01  0.100000E-04 0.100000E-04    0.811862E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2268620346E-04    0.2688483696    

 Beginning of optimization cycle  660.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990886830
 potential> RMS force:                                               0.0861499887   |gradient|=.9198301704    
 Eigenvalues of the Hessian matrix:
   746.88465    673.98524    630.84747    600.60061    586.33891    578.89950 
   564.69046    487.43426    460.53782    459.74285    441.63351    429.45291 
   421.87092    407.85602    396.30600    387.39047    370.05554    360.57712 
   349.30572    335.33264    329.35131    321.81686    319.16203    309.33080 
   300.78568    290.60443    279.07464    272.76059    268.55127    264.97135 
   263.86878    253.18370    241.59044    240.79548    234.05473    227.53684 
   217.17297    214.89963    213.24505    207.70278    202.97632    195.38922 
   194.86149    191.38745    182.99910    174.39721    172.34999    168.23069 
   163.20421    156.86210    154.93948    152.24550    146.63307    143.32587 
   138.12111    135.87307    130.27760    128.85123    126.90936    124.01338 
   120.02127    118.17469    116.81469    110.37609    106.81744    104.46565 
   102.85945     99.50869     96.07951     94.09112     91.94659     91.24297 
    88.39139     85.62532     80.83912     80.53846     77.94473     73.27368 
    72.52510     67.90127     64.72912     61.32479     59.82308     59.40573 
    58.13402     55.86209     52.44016     52.00929     50.27327     46.13500 
    43.37180     40.92250     37.86552     36.18910     32.24779     28.91998 
    28.45595     26.31447     23.32749     21.34020     19.84865     16.45018 
    13.91194     12.24442     10.08652      9.14657      5.75694      3.15283 
overlap for current and previous eigenvector    109 is        -0.9999999875
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999542
overlap for current and previous eigenvector    112 is        -0.9999999191
overlap for current and previous eigenvector    113 is         0.9999999303
overlap for current and previous eigenvector    114 is         0.9999999637
J1,K1,R1,R2,RAT=   7   7    0.3642085992E-01     1.963568686        0.9635686858    
FOB,PFOB,DIAG,PSTEP=   -0.1700347242E-06   -0.1764616425E-06     746.8846474        0.2362648175E-09
J1,K1,R1,R2,RAT=   8   8   -0.4317505599E-01     2.043179469        0.9568249440    
FOB,PFOB,DIAG,PSTEP=   -0.4276883545E-06   -0.4099871743E-06     673.9852411        0.6083015543E-09
J1,K1,R1,R2,RAT=   9   9   -0.4936503813E-01     2.049355484        0.9506349619    
FOB,PFOB,DIAG,PSTEP=   -0.7593917246E-06   -0.7236676718E-06     630.8474656        0.1147141216E-08
J1,K1,R1,R2,RAT=  10  10   -0.6204391309         2.620446579        0.3795608691    
FOB,PFOB,DIAG,PSTEP=   -0.5797490147E-07   -0.3577732914E-07     600.6006143        0.5956902982E-10
J1,K1,R1,R2,RAT=  11  11   -0.9991977789         2.999199727        0.8022211417E-03
FOB,PFOB,DIAG,PSTEP=    0.1084284342E-07    0.5423599814E-08     586.3389147       -0.9249931049E-11
J1,K1,R1,R2,RAT= 109 109     2.017942624       -0.1795112848E-01    0.9820488715    
FOB,PFOB,DIAG,PSTEP=    0.5551001668E-05   -0.5453111742E-05     13.91194021        0.3919751559E-06
J1,K1,R1,R2,RAT= 110 110   -0.1467655905         2.146762484        0.8532344095    
FOB,PFOB,DIAG,PSTEP=   -0.1092654149E-04   -0.9528136709E-05     12.24442113        0.7781626757E-06
J1,K1,R1,R2,RAT= 111 111   -0.1277871511         2.127799761        0.8722128489    
FOB,PFOB,DIAG,PSTEP=   -0.2519316012E-05   -0.2233859296E-05     10.08652025        0.2214683712E-06
J1,K1,R1,R2,RAT= 112 112     672.4675438        0.3887164056        0.6112835944    
FOB,PFOB,DIAG,PSTEP=   -0.3073607380E-01    0.3077162801E-01     9.146568094       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7766933495         1543.222371        0.2233066505    
FOB,PFOB,DIAG,PSTEP=    0.1008255158        0.1007240773         5.756938534       -0.2268620346E-04
J1,K1,R1,R2,RAT= 114 114    0.1289989742        -57964.91651        0.8710010258    
FOB,PFOB,DIAG,PSTEP=    0.9137707862        0.9137667191         3.152833844        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001     -0.00001      0.00002     -0.00003 
     0.00001     -0.00001     -0.00000     -0.03074      0.10083      0.91377 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3812596393
 Log product of positive Hessian eigenvalues =          519.0757139176
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1528338442
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000048
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000015
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000078
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000094
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000073
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=        0.0000000089
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000043
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=        0.0000000077
 Unscaled step for mode   62=       -0.0000000072
 Unscaled step for mode   63=        0.0000000173
 Unscaled step for mode   64=       -0.0000000019
 Unscaled step for mode   65=       -0.0000000112
 Unscaled step for mode   66=       -0.0000000060
 Unscaled step for mode   67=       -0.0000000161
 Unscaled step for mode   68=        0.0000000040
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000127
 Unscaled step for mode   71=       -0.0000000072
 Unscaled step for mode   72=       -0.0000000083
 Unscaled step for mode   73=        0.0000000017
 Unscaled step for mode   74=       -0.0000000002
 Unscaled step for mode   75=        0.0000000003
 Unscaled step for mode   76=       -0.0000000021
 Unscaled step for mode   77=       -0.0000000161
 Unscaled step for mode   78=        0.0000000090
 Unscaled step for mode   79=        0.0000000086
 Unscaled step for mode   80=       -0.0000000070
 Unscaled step for mode   81=        0.0000000160
 Unscaled step for mode   82=        0.0000000163
 Unscaled step for mode   83=       -0.0000000023
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=       -0.0000000315
 Unscaled step for mode   86=       -0.0000000092
 Unscaled step for mode   87=       -0.0000000163
 Unscaled step for mode   88=        0.0000000168
 Unscaled step for mode   89=        0.0000000350
 Unscaled step for mode   90=       -0.0000000392
 Unscaled step for mode   91=        0.0000000518
 Unscaled step for mode   92=        0.0000000687
 Unscaled step for mode   93=       -0.0000000642
 Unscaled step for mode   94=       -0.0000000104
 Unscaled step for mode   95=       -0.0000000438
 Unscaled step for mode   96=       -0.0000000274
 Unscaled step for mode   97=        0.0000000787
 Unscaled step for mode   98=        0.0000000196
 Unscaled step for mode   99=       -0.0000000619
 Unscaled step for mode  100=       -0.0000000479
 Unscaled step for mode  101=       -0.0000003569
 Unscaled step for mode  102=       -0.0000000149
 Unscaled step for mode  103=        0.0000000915
 Unscaled step for mode  104=        0.0000000279
 Unscaled step for mode  105=        0.0000002874
 Unscaled step for mode  106=        0.0000002451
 Unscaled step for mode  107=       -0.0000011518
 Unscaled step for mode  108=        0.0000015362
 Unscaled step for mode  109=       -0.0000003990
 Unscaled step for mode  110=        0.0000008924
 Unscaled step for mode  111=        0.0000002498
 Unscaled step for mode  112=        0.0033603562
 Unscaled step for mode  113=       -0.0175083697
 Unscaled step for mode  114=        0.2688729846
 Largest modulus ratio of non-zero e/values=           236.8931204    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.235489E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.200886E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.818429E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.225622E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.510524E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.313362E-14    0.974316E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170035E-06    0.746885E+03  0.227659E-09 0.100000E-04    0.963569E+00
   8   -0.427688E-06    0.673985E+03  0.634566E-09 0.100000E-04    0.956825E+00
   9   -0.759392E-06    0.630847E+03  0.120376E-08 0.100000E-04    0.950635E+00
  10   -0.579749E-07    0.600601E+03  0.965282E-10 0.100000E-04    0.379561E+00
  11    0.108428E-07    0.586339E+03 -0.184925E-10 0.109000E-04    0.802221E-03
  12   -0.108609E-05    0.578900E+03  0.187614E-08 0.100000E-04    0.952439E+00
  13    0.452276E-07    0.564690E+03 -0.800928E-10 0.100000E-04    0.943074E+00
  14    0.454748E-06    0.487434E+03 -0.932943E-09 0.100000E-04    0.954399E+00
  15   -0.463408E-06    0.460538E+03  0.100623E-08 0.100000E-04    0.940726E+00
  16   -0.152931E-06    0.459743E+03  0.332646E-09 0.100000E-04    0.802872E+00
  17   -0.649660E-06    0.441634E+03  0.147104E-08 0.100000E-04    0.915784E+00
  18   -0.438047E-06    0.429453E+03  0.102001E-08 0.100000E-04    0.934621E+00
  19   -0.114149E-06    0.421871E+03  0.270579E-09 0.100000E-04    0.783936E+00
  20   -0.398972E-06    0.407856E+03  0.978219E-09 0.100000E-04    0.932815E+00
  21   -0.459936E-06    0.396306E+03  0.116056E-08 0.100000E-04    0.927301E+00
  22   -0.642152E-06    0.387390E+03  0.165764E-08 0.100000E-04    0.986509E+00
  23    0.862581E-06    0.370056E+03 -0.233095E-08 0.100000E-04    0.934982E+00
  24   -0.438481E-06    0.360577E+03  0.121605E-08 0.100000E-04    0.980051E+00
  25   -0.467863E-07    0.349306E+03  0.133941E-09 0.100000E-04    0.609540E+00
  26    0.602261E-08    0.335333E+03 -0.179601E-10 0.109000E-04    0.111764E+00
  27    0.415571E-06    0.329351E+03 -0.126179E-08 0.100000E-04    0.878203E+00
  28   -0.437699E-06    0.321817E+03  0.136009E-08 0.100000E-04    0.881510E+00
  29   -0.161914E-06    0.319162E+03  0.507309E-09 0.109000E-04    0.125069E+00
  30   -0.143436E-05    0.309331E+03  0.463697E-08 0.100000E-04    0.947452E+00
  31   -0.109345E-05    0.300786E+03  0.363531E-08 0.100000E-04    0.956315E+00
  32   -0.128952E-05    0.290604E+03  0.443739E-08 0.100000E-04    0.963906E+00
  33   -0.784988E-07    0.279075E+03  0.281282E-09 0.100000E-04    0.712141E+00
  34    0.123798E-07    0.272761E+03 -0.453870E-10 0.100000E-04    0.284289E+00
  35    0.105901E-05    0.268551E+03 -0.394343E-08 0.100000E-04    0.963216E+00
  36    0.126184E-05    0.264971E+03 -0.476218E-08 0.100000E-04    0.986876E+00
  37   -0.552263E-06    0.263869E+03  0.209295E-08 0.100000E-04    0.906337E+00
  38   -0.133885E-06    0.253184E+03  0.528805E-09 0.100000E-04    0.976268E+00
  39   -0.370701E-06    0.241590E+03  0.153442E-08 0.100000E-04    0.900870E+00
  40   -0.125307E-05    0.240795E+03  0.520386E-08 0.100000E-04    0.990649E+00
  41   -0.975335E-06    0.234055E+03  0.416712E-08 0.100000E-04    0.983008E+00
  42   -0.176681E-05    0.227537E+03  0.776494E-08 0.100000E-04    0.955057E+00
  43   -0.767080E-08    0.217173E+03  0.353212E-10 0.100000E-04    0.178621E+01
  44   -0.201131E-05    0.214900E+03  0.935931E-08 0.100000E-04    0.972537E+00
  45    0.710514E-06    0.213245E+03 -0.333191E-08 0.100000E-04    0.997623E+00
  46    0.108519E-05    0.207703E+03 -0.522471E-08 0.100000E-04    0.996399E+00
  47   -0.765691E-06    0.202976E+03  0.377232E-08 0.100000E-04    0.978939E+00
  48   -0.130820E-05    0.195389E+03  0.669536E-08 0.100000E-04    0.914126E+00
  49    0.100840E-05    0.194861E+03 -0.517498E-08 0.100000E-04    0.957819E+00
  50    0.139544E-05    0.191387E+03 -0.729120E-08 0.100000E-04    0.884742E+00
  51    0.252919E-06    0.182999E+03 -0.138208E-08 0.100000E-04    0.853756E+00
  52   -0.653028E-06    0.174397E+03  0.374449E-08 0.100000E-04    0.914359E+00
  53    0.113325E-06    0.172350E+03 -0.657530E-09 0.100000E-04    0.851193E+00
  54    0.204789E-06    0.168231E+03 -0.121731E-08 0.100000E-04    0.944990E+00
  55    0.817884E-06    0.163204E+03 -0.501141E-08 0.100000E-04    0.992944E+00
  56   -0.139200E-05    0.156862E+03  0.887407E-08 0.100000E-04    0.974800E+00
  57   -0.415715E-06    0.154939E+03  0.268308E-08 0.100000E-04    0.865769E+00
  58    0.916543E-06    0.152246E+03 -0.602017E-08 0.100000E-04    0.989714E+00
  59    0.627497E-06    0.146633E+03 -0.427937E-08 0.100000E-04    0.992084E+00
  60   -0.242458E-06    0.143326E+03  0.169166E-08 0.100000E-04    0.767017E+00
  61   -0.106516E-05    0.138121E+03  0.771179E-08 0.100000E-04    0.828871E+00
  62    0.978532E-06    0.135873E+03 -0.720181E-08 0.100000E-04    0.959401E+00
  63   -0.225702E-05    0.130278E+03  0.173247E-07 0.100000E-04    0.911735E+00
  64    0.247780E-06    0.128851E+03 -0.192299E-08 0.109000E-04    0.116123E+00
  65    0.141590E-05    0.126909E+03 -0.111568E-07 0.100000E-04    0.901221E+00
  66    0.741408E-06    0.124013E+03 -0.597845E-08 0.100000E-04    0.899977E+00
  67    0.193081E-05    0.120021E+03 -0.160872E-07 0.100000E-04    0.960549E+00
  68   -0.475006E-06    0.118175E+03  0.401953E-08 0.100000E-04    0.937512E+00
  69    0.752691E-07    0.116815E+03 -0.644346E-09 0.100000E-04    0.267631E+00
  70    0.139977E-05    0.110376E+03 -0.126818E-07 0.100000E-04    0.949035E+00
  71    0.767259E-06    0.106817E+03 -0.718290E-08 0.100000E-04    0.916779E+00
  72    0.868227E-06    0.104466E+03 -0.831113E-08 0.100000E-04    0.863010E+00
  73   -0.177170E-06    0.102859E+03  0.172245E-08 0.100000E-04    0.742349E+00
  74    0.234303E-07    0.995087E+02 -0.235460E-09 0.100000E-04    0.429764E+00
  75   -0.316783E-07    0.960795E+02  0.329710E-09 0.100000E-04    0.209495E+00
  76    0.194079E-06    0.940911E+02 -0.206267E-08 0.100000E-04    0.866851E+00
  77    0.147735E-05    0.919466E+02 -0.160675E-07 0.100000E-04    0.967444E+00
  78   -0.824958E-06    0.912430E+02  0.904133E-08 0.100000E-04    0.958483E+00
  79   -0.762376E-06    0.883914E+02  0.862500E-08 0.100000E-04    0.956932E+00
  80    0.596123E-06    0.856253E+02 -0.696200E-08 0.100000E-04    0.916896E+00
  81   -0.129177E-05    0.808391E+02  0.159796E-07 0.100000E-04    0.984804E+00
  82   -0.130887E-05    0.805385E+02  0.162514E-07 0.100000E-04    0.937538E+00
  83    0.176351E-06    0.779447E+02 -0.226251E-08 0.100000E-04    0.751508E+00
  84    0.541569E-06    0.732737E+02 -0.739105E-08 0.100000E-04    0.460363E+00
  85    0.228176E-05    0.725251E+02 -0.314617E-07 0.100000E-04    0.905843E+00
  86    0.625540E-06    0.679013E+02 -0.921250E-08 0.100000E-04    0.834471E+00
  87    0.105516E-05    0.647291E+02 -0.163011E-07 0.100000E-04    0.763659E+00
  88   -0.102855E-05    0.613248E+02  0.167722E-07 0.100000E-04    0.957462E+00
  89   -0.209098E-05    0.598231E+02  0.349528E-07 0.100000E-04    0.961828E+00
  90    0.233007E-05    0.594057E+02 -0.392229E-07 0.100000E-04    0.960256E+00
  91   -0.301092E-05    0.581340E+02  0.517928E-07 0.100000E-04    0.894369E+00
  92   -0.383766E-05    0.558621E+02  0.686988E-07 0.100000E-04    0.934465E+00
  93    0.336599E-05    0.524402E+02 -0.641872E-07 0.100000E-04    0.967590E+00
  94    0.542142E-06    0.520093E+02 -0.104240E-07 0.100000E-04    0.884162E+00
  95    0.219947E-05    0.502733E+02 -0.437502E-07 0.100000E-04    0.907239E+00
  96    0.126182E-05    0.461350E+02 -0.273506E-07 0.100000E-04    0.880141E+00
  97   -0.341298E-05    0.433718E+02  0.786913E-07 0.100000E-04    0.888899E+00
  98   -0.803399E-06    0.409225E+02  0.196322E-07 0.100000E-04    0.692070E+00
  99    0.234366E-05    0.378655E+02 -0.618944E-07 0.100000E-04    0.818064E+00
 100    0.173525E-05    0.361891E+02 -0.479496E-07 0.100000E-04    0.892662E+00
 101    0.115093E-04    0.322478E+02 -0.356901E-06 0.100000E-04    0.924466E+00
 102    0.431490E-06    0.289200E+02 -0.149201E-07 0.100000E-04    0.117387E+01
 103   -0.260242E-05    0.284559E+02  0.914544E-07 0.100000E-04    0.973110E+00
 104   -0.733237E-06    0.263145E+02  0.278644E-07 0.100000E-04    0.590757E+00
 105   -0.670417E-05    0.233275E+02  0.287394E-06 0.100000E-04    0.915890E+00
 106   -0.523023E-05    0.213402E+02  0.245088E-06 0.100000E-04    0.967504E+00
 107    0.228616E-04    0.198486E+02 -0.115180E-05 0.100000E-04    0.909160E+00
 108   -0.252712E-04    0.164502E+02  0.153623E-05 0.100000E-04    0.921872E+00
 109    0.555100E-05    0.139119E+02 -0.399010E-06 0.100000E-04    0.982049E+00
 110   -0.109265E-04    0.122444E+02  0.892369E-06 0.100000E-04    0.853234E+00
 111   -0.251932E-05    0.100865E+02  0.249771E-06 0.100000E-04    0.872213E+00
 112   -0.307361E-01    0.914657E+01  0.100000E-04 0.100000E-04    0.611284E+00
 113    0.100826E+00    0.575694E+01 -0.204380E-04 0.204380E-04    0.223307E+00
 114    0.913771E+00    0.315283E+01  0.100000E-04 0.100000E-04    0.871001E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2043802114E-04    0.2688729846    

 Beginning of optimization cycle  661.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990819115
 potential> RMS force:                                               0.0861514280   |gradient|=.9198455387    
 Eigenvalues of the Hessian matrix:
   746.88844    673.98399    630.85036    600.59836    586.33842    578.89964 
   564.68650    487.43392    460.53656    459.74232    441.63296    429.45414 
   421.87030    407.85444    396.30545    387.38908    370.05599    360.57727 
   349.30500    335.33328    329.35215    321.81662    319.16266    309.32967 
   300.78509    290.60448    279.07608    272.76105    268.55150    264.97166 
   263.86932    253.18310    241.59076    240.79583    234.05548    227.53714 
   217.17369    214.89977    213.24477    207.70326    202.97591    195.38842 
   194.86184    191.38790    182.99982    174.39793    172.35023    168.23096 
   163.20390    156.86188    154.93999    152.24533    146.63250    143.32548 
   138.12162    135.87306    130.27736    128.85143    126.90956    124.01228 
   120.02145    118.17482    116.81427    110.37633    106.81729    104.46586 
   102.85953     99.50862     96.07931     94.09090     91.94619     91.24318 
    88.39088     85.62561     80.83920     80.53912     77.94451     73.27348 
    72.52454     67.90097     64.72868     61.32435     59.82281     59.40582 
    58.13399     55.86187     52.44006     52.00893     50.27384     46.13459 
    43.37235     40.92261     37.86549     36.18877     32.24743     28.92031 
    28.45601     26.31475     23.32738     21.34045     19.84855     16.45008 
    13.91200     12.24444     10.08645      9.14805      5.75710      3.15253 
overlap for current and previous eigenvector    109 is        -0.9999999892
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999616
overlap for current and previous eigenvector    112 is        -0.9999999306
overlap for current and previous eigenvector    113 is         0.9999999386
overlap for current and previous eigenvector    114 is         0.9999999685
J1,K1,R1,R2,RAT=   7   7   -0.1078098272E-01     2.010770831        0.9892190173    
FOB,PFOB,DIAG,PSTEP=   -0.1718678749E-06   -0.1700347242E-06     746.8884384        0.2276586147E-09
J1,K1,R1,R2,RAT=   8   8    0.4931296465E-01     1.950690745        0.9506870353    
FOB,PFOB,DIAG,PSTEP=   -0.4065978129E-06   -0.4276883545E-06     673.9839909        0.6345663501E-09
J1,K1,R1,R2,RAT=   9   9    0.5442938097E-01     1.945561449        0.9455614491    
FOB,PFOB,DIAG,PSTEP=   -0.7180583136E-06   -0.7593917246E-06     630.8503580        0.1203764406E-08
J1,K1,R1,R2,RAT=  10  10    0.4876149675         1.512392555        0.5123850325    
FOB,PFOB,DIAG,PSTEP=   -0.2970557810E-07   -0.5797490147E-07     600.5983554        0.9652820874E-10
J1,K1,R1,R2,RAT=  11  11    0.3165573074         1.683444376        0.6834426926    
FOB,PFOB,DIAG,PSTEP=    0.7410464993E-08    0.1084284342E-07     586.3384213       -0.1849245062E-10
J1,K1,R1,R2,RAT= 109 109     1.950520949        0.4947067948E-01    0.9505209492    
FOB,PFOB,DIAG,PSTEP=   -0.5276388694E-05    0.5551001668E-05     13.91199844       -0.3990098854E-06
J1,K1,R1,R2,RAT= 110 110    0.1508973347         1.849099344        0.8490993437    
FOB,PFOB,DIAG,PSTEP=   -0.9277752765E-05   -0.1092654149E-04     12.24444146        0.8923689718E-06
J1,K1,R1,R2,RAT= 111 111    0.2665669852         1.733446105        0.7334330148    
FOB,PFOB,DIAG,PSTEP=   -0.1847753933E-05   -0.2519316012E-05     10.08645424        0.2497705798E-06
J1,K1,R1,R2,RAT= 112 112     671.5442120        0.4257676796        0.5742323204    
FOB,PFOB,DIAG,PSTEP=    0.3069712436E-01   -0.3073607380E-01     9.148049684        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8381873057         1714.628033        0.1618126943    
FOB,PFOB,DIAG,PSTEP=    0.1009241401        0.1008255158         5.757103523       -0.2043802114E-04
J1,K1,R1,R2,RAT= 114 114    0.1869071555        -57970.88044        0.8130928445    
FOB,PFOB,DIAG,PSTEP=    0.9137766785        0.9137707862         3.152526667        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.03070      0.10092      0.91378 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3812379486
 Log product of positive Hessian eigenvalues =          519.0757795815
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1525266666
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000064
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000051
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000043
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=       -0.0000000063
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000159
 Unscaled step for mode   64=       -0.0000000010
 Unscaled step for mode   65=        0.0000000098
 Unscaled step for mode   66=       -0.0000000053
 Unscaled step for mode   67=        0.0000000154
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=       -0.0000000097
 Unscaled step for mode   73=        0.0000000013
 Unscaled step for mode   74=        0.0000000007
 Unscaled step for mode   75=        0.0000000019
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=        0.0000000168
 Unscaled step for mode   78=        0.0000000087
 Unscaled step for mode   79=        0.0000000085
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000151
 Unscaled step for mode   83=        0.0000000030
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000279
 Unscaled step for mode   86=        0.0000000077
 Unscaled step for mode   87=        0.0000000130
 Unscaled step for mode   88=       -0.0000000176
 Unscaled step for mode   89=        0.0000000329
 Unscaled step for mode   90=       -0.0000000382
 Unscaled step for mode   91=       -0.0000000476
 Unscaled step for mode   92=       -0.0000000651
 Unscaled step for mode   93=       -0.0000000631
 Unscaled step for mode   94=       -0.0000000126
 Unscaled step for mode   95=       -0.0000000386
 Unscaled step for mode   96=       -0.0000000253
 Unscaled step for mode   97=       -0.0000000692
 Unscaled step for mode   98=       -0.0000000129
 Unscaled step for mode   99=        0.0000000501
 Unscaled step for mode  100=        0.0000000426
 Unscaled step for mode  101=       -0.0000003353
 Unscaled step for mode  102=       -0.0000000051
 Unscaled step for mode  103=       -0.0000000877
 Unscaled step for mode  104=       -0.0000000408
 Unscaled step for mode  105=       -0.0000002667
 Unscaled step for mode  106=        0.0000002356
 Unscaled step for mode  107=       -0.0000010606
 Unscaled step for mode  108=        0.0000014283
 Unscaled step for mode  109=        0.0000003793
 Unscaled step for mode  110=        0.0000007577
 Unscaled step for mode  111=        0.0000001832
 Unscaled step for mode  112=       -0.0033555544
 Unscaled step for mode  113=       -0.0175249834
 Unscaled step for mode  114=        0.2688971503
 Largest modulus ratio of non-zero e/values=           236.9174054    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.660388E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.242021E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.303251E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.841341E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.584585E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.468081E-14    0.974316E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171868E-06    0.746888E+03  0.230112E-09 0.100000E-04    0.989219E+00
   8   -0.406598E-06    0.673984E+03  0.603275E-09 0.100000E-04    0.950687E+00
   9   -0.718058E-06    0.630850E+03  0.113824E-08 0.100000E-04    0.945561E+00
  10   -0.297056E-07    0.600598E+03  0.494600E-10 0.100000E-04    0.512385E+00
  11    0.741046E-08    0.586338E+03 -0.126385E-10 0.100000E-04    0.683443E+00
  12   -0.102386E-05    0.578900E+03  0.176863E-08 0.100000E-04    0.942699E+00
  13    0.492393E-07    0.564687E+03 -0.871976E-10 0.100000E-04    0.911300E+00
  14    0.423916E-06    0.487434E+03 -0.869690E-09 0.100000E-04    0.932200E+00
  15   -0.434962E-06    0.460537E+03  0.944468E-09 0.100000E-04    0.938616E+00
  16   -0.125052E-06    0.459742E+03  0.272004E-09 0.100000E-04    0.817699E+00
  17   -0.589906E-06    0.441633E+03  0.133574E-08 0.100000E-04    0.908023E+00
  18   -0.407457E-06    0.429454E+03  0.948780E-09 0.100000E-04    0.930163E+00
  19   -0.153774E-06    0.421870E+03  0.364506E-09 0.100000E-04    0.652868E+00
  20   -0.368030E-06    0.407854E+03  0.902357E-09 0.100000E-04    0.922445E+00
  21   -0.422371E-06    0.396305E+03  0.106577E-08 0.100000E-04    0.918326E+00
  22   -0.636493E-06    0.387389E+03  0.164303E-08 0.100000E-04    0.991188E+00
  23    0.795781E-06    0.370056E+03 -0.215043E-08 0.100000E-04    0.922556E+00
  24   -0.428204E-06    0.360577E+03  0.118755E-08 0.100000E-04    0.976562E+00
  25   -0.876109E-07    0.349305E+03  0.250815E-09 0.109000E-04    0.127423E+00
  26   -0.518059E-07    0.335333E+03  0.154491E-09 0.100000E-04    0.660189E+01
  27    0.370729E-06    0.329352E+03 -0.112563E-08 0.100000E-04    0.892090E+00
  28   -0.392602E-06    0.321817E+03  0.121996E-08 0.100000E-04    0.896969E+00
  29   -0.877374E-07    0.319163E+03  0.274899E-09 0.100000E-04    0.541874E+00
  30   -0.138013E-05    0.309330E+03  0.446167E-08 0.100000E-04    0.962192E+00
  31   -0.104497E-05    0.300785E+03  0.347414E-08 0.100000E-04    0.955661E+00
  32   -0.124944E-05    0.290604E+03  0.429944E-08 0.100000E-04    0.968911E+00
  33   -0.272791E-07    0.279076E+03  0.977480E-10 0.100000E-04    0.347503E+00
  34   -0.406708E-07    0.272761E+03  0.149108E-09 0.100000E-04    0.128526E+01
  35    0.102577E-05    0.268552E+03 -0.381965E-08 0.100000E-04    0.968609E+00
  36    0.124201E-05    0.264972E+03 -0.468732E-08 0.100000E-04    0.984280E+00
  37   -0.495667E-06    0.263869E+03  0.187846E-08 0.100000E-04    0.897516E+00
  38   -0.137045E-06    0.253183E+03  0.541290E-09 0.100000E-04    0.976392E+00
  39   -0.414099E-06    0.241591E+03  0.171405E-08 0.100000E-04    0.882930E+00
  40   -0.123573E-05    0.240796E+03  0.513187E-08 0.100000E-04    0.986166E+00
  41   -0.984160E-06    0.234055E+03  0.420482E-08 0.100000E-04    0.990951E+00
  42   -0.170330E-05    0.227537E+03  0.748582E-08 0.100000E-04    0.964052E+00
  43   -0.457774E-08    0.217174E+03  0.210787E-10 0.100000E-04    0.596769E+00
  44   -0.194611E-05    0.214900E+03  0.905592E-08 0.100000E-04    0.967583E+00
  45    0.722469E-06    0.213245E+03 -0.338798E-08 0.100000E-04    0.983173E+00
  46    0.106695E-05    0.207703E+03 -0.513690E-08 0.100000E-04    0.983193E+00
  47   -0.739354E-06    0.202976E+03  0.364257E-08 0.100000E-04    0.965603E+00
  48   -0.121258E-05    0.195388E+03  0.620600E-08 0.100000E-04    0.926907E+00
  49    0.956273E-06    0.194862E+03 -0.490744E-08 0.100000E-04    0.948301E+00
  50    0.122668E-05    0.191388E+03 -0.640937E-08 0.100000E-04    0.879053E+00
  51    0.219163E-06    0.183000E+03 -0.119762E-08 0.100000E-04    0.866528E+00
  52   -0.605822E-06    0.174398E+03  0.347379E-08 0.100000E-04    0.927703E+00
  53    0.138600E-06    0.172350E+03 -0.804176E-09 0.100000E-04    0.776974E+00
  54   -0.220598E-06    0.168231E+03  0.131128E-08 0.100000E-04    0.922804E+00
  55   -0.825865E-06    0.163204E+03  0.506033E-08 0.100000E-04    0.990241E+00
  56    0.135091E-05    0.156862E+03 -0.861208E-08 0.100000E-04    0.970476E+00
  57   -0.345334E-06    0.154940E+03  0.222883E-08 0.100000E-04    0.830695E+00
  58   -0.920452E-06    0.152245E+03  0.604585E-08 0.100000E-04    0.995736E+00
  59    0.626891E-06    0.146633E+03 -0.427526E-08 0.100000E-04    0.999035E+00
  60    0.178218E-06    0.143325E+03 -0.124345E-08 0.100000E-04    0.735045E+00
  61    0.875118E-06    0.138122E+03 -0.633585E-08 0.100000E-04    0.821576E+00
  62   -0.945358E-06    0.135873E+03  0.695766E-08 0.100000E-04    0.966099E+00
  63   -0.207051E-05    0.130277E+03  0.158931E-07 0.100000E-04    0.917365E+00
  64    0.133839E-06    0.128851E+03 -0.103871E-08 0.100000E-04    0.540149E+00
  65   -0.124937E-05    0.126910E+03  0.984454E-08 0.100000E-04    0.882379E+00
  66    0.657991E-06    0.124012E+03 -0.530586E-08 0.100000E-04    0.887488E+00
  67   -0.185310E-05    0.120021E+03  0.154397E-07 0.100000E-04    0.959750E+00
  68   -0.442160E-06    0.118175E+03  0.374157E-08 0.100000E-04    0.930848E+00
  69   -0.135458E-07    0.116814E+03  0.115960E-09 0.109000E-04    0.179962E+00
  70    0.131999E-05    0.110376E+03 -0.119590E-07 0.100000E-04    0.943006E+00
  71   -0.700168E-06    0.106817E+03  0.655482E-08 0.100000E-04    0.912558E+00
  72    0.101835E-05    0.104466E+03 -0.974817E-08 0.100000E-04    0.827092E+00
  73   -0.133035E-06    0.102860E+03  0.129337E-08 0.100000E-04    0.750888E+00
  74   -0.706286E-07    0.995086E+02  0.709774E-09 0.100000E-04    0.101442E+01
  75   -0.178539E-06    0.960793E+02  0.185824E-08 0.100000E-04    0.363600E+01
  76    0.166008E-06    0.940909E+02 -0.176434E-08 0.100000E-04    0.855365E+00
  77   -0.154882E-05    0.919462E+02  0.168449E-07 0.100000E-04    0.951621E+00
  78   -0.796205E-06    0.912432E+02  0.872619E-08 0.100000E-04    0.965142E+00
  79   -0.748765E-06    0.883909E+02  0.847107E-08 0.100000E-04    0.982146E+00
  80   -0.545028E-06    0.856256E+02  0.636525E-08 0.100000E-04    0.914281E+00
  81    0.128330E-05    0.808392E+02 -0.158747E-07 0.100000E-04    0.993438E+00
  82   -0.121781E-05    0.805391E+02  0.151207E-07 0.100000E-04    0.930416E+00
  83   -0.237260E-06    0.779445E+02  0.304397E-08 0.100000E-04    0.654610E+00
  84    0.317748E-06    0.732735E+02 -0.433647E-08 0.100000E-04    0.586716E+00
  85    0.202249E-05    0.725245E+02 -0.278869E-07 0.100000E-04    0.886369E+00
  86   -0.522959E-06    0.679010E+02  0.770179E-08 0.100000E-04    0.836011E+00
  87   -0.842974E-06    0.647287E+02  0.130232E-07 0.100000E-04    0.798907E+00
  88    0.107854E-05    0.613243E+02 -0.175874E-07 0.100000E-04    0.951403E+00
  89   -0.197013E-05    0.598228E+02  0.329328E-07 0.100000E-04    0.942206E+00
  90    0.226717E-05    0.594058E+02 -0.381641E-07 0.100000E-04    0.973004E+00
  91    0.276898E-05    0.581340E+02 -0.476310E-07 0.100000E-04    0.919645E+00
  92    0.363455E-05    0.558619E+02 -0.650632E-07 0.100000E-04    0.947075E+00
  93    0.330698E-05    0.524401E+02 -0.630622E-07 0.100000E-04    0.982471E+00
  94    0.654997E-06    0.520089E+02 -0.125939E-07 0.100000E-04    0.791835E+00
  95    0.194155E-05    0.502738E+02 -0.386196E-07 0.100000E-04    0.882716E+00
  96    0.116844E-05    0.461346E+02 -0.253267E-07 0.100000E-04    0.925994E+00
  97    0.300234E-05    0.433724E+02 -0.692224E-07 0.100000E-04    0.879657E+00
  98    0.526330E-06    0.409226E+02 -0.128616E-07 0.100000E-04    0.655124E+00
  99   -0.189799E-05    0.378655E+02  0.501245E-07 0.100000E-04    0.809839E+00
 100   -0.154094E-05    0.361888E+02  0.425807E-07 0.100000E-04    0.888023E+00
 101    0.108119E-04    0.322474E+02 -0.335279E-06 0.100000E-04    0.939406E+00
 102    0.147328E-06    0.289203E+02 -0.509426E-08 0.100000E-04    0.341424E+00
 103    0.249458E-05    0.284560E+02 -0.876643E-07 0.100000E-04    0.958556E+00
 104    0.107340E-05    0.263148E+02 -0.407910E-07 0.100000E-04    0.536079E+00
 105    0.622057E-05    0.233274E+02 -0.266664E-06 0.100000E-04    0.927866E+00
 106   -0.502704E-05    0.213404E+02  0.235564E-06 0.100000E-04    0.961127E+00
 107    0.210515E-04    0.198485E+02 -0.106060E-05 0.100000E-04    0.920820E+00
 108   -0.234949E-04    0.164501E+02  0.142825E-05 0.100000E-04    0.929710E+00
 109   -0.527639E-05    0.139120E+02  0.379269E-06 0.100000E-04    0.950521E+00
 110   -0.927775E-05    0.122444E+02  0.757711E-06 0.100000E-04    0.849099E+00
 111   -0.184775E-05    0.100865E+02  0.183192E-06 0.100000E-04    0.733433E+00
 112    0.306971E-01    0.914805E+01 -0.100000E-04 0.100000E-04    0.574232E+00
 113    0.100924E+00    0.575710E+01 -0.222774E-04 0.222774E-04    0.161813E+00
 114    0.913777E+00    0.315253E+01  0.100000E-04 0.100000E-04    0.813093E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2227744304E-04    0.2688971503    

 Beginning of optimization cycle  662.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990753271
 potential> RMS force:                                               0.0861527574   |gradient|=.9198597329    
 Eigenvalues of the Hessian matrix:
   746.89231    673.98253    630.85334    600.59612    586.33786    578.89977 
   564.68230    487.43348    460.53525    459.74177    441.63237    429.45553 
   421.86966    407.85278    396.30486    387.38765    370.05646    360.57746 
   349.30433    335.33396    329.35303    321.81633    319.16343    309.32850 
   300.78456    290.60456    279.07762    272.76153    268.55181    264.97199 
   263.86996    253.18254    241.59116    240.79619    234.05632    227.53751 
   217.17449    214.89990    213.24447    207.70377    202.97549    195.38761 
   194.86225    191.38837    183.00060    174.39870    172.35048    168.23126 
   163.20356    156.86166    154.94052    152.24514    146.63190    143.32505 
   138.12216    135.87306    130.27709    128.85165    126.90975    124.01112 
   120.02164    118.17495    116.81382    110.37658    106.81712    104.46608 
   102.85960     99.50854     96.07909     94.09065     91.94579     91.24340 
    88.39035     85.62592     80.83929     80.53982     77.94427     73.27324 
    72.52393     67.90063     64.72822     61.32391     59.82253     59.40590 
    58.13393     55.86162     52.43995     52.00853     50.27445     46.13415 
    43.37294     40.92272     37.86542     36.18837     32.24704     28.92065 
    28.45607     26.31505     23.32729     21.34068     19.84846     16.44998 
    13.91206     12.24446     10.08639      9.14961      5.75729      3.15221 
overlap for current and previous eigenvector    109 is         0.9999999878
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999549
overlap for current and previous eigenvector    112 is        -0.9999999208
overlap for current and previous eigenvector    113 is        -0.9999999321
overlap for current and previous eigenvector    114 is        -0.9999999647
J1,K1,R1,R2,RAT=   7   7    0.4880137104E-02     1.995109490        0.9951094903    
FOB,PFOB,DIAG,PSTEP=   -0.1710291318E-06   -0.1718678749E-06     746.8923120        0.2301118428E-09
J1,K1,R1,R2,RAT=   8   8   -0.4239770833E-01     2.042402039        0.9576022917    
FOB,PFOB,DIAG,PSTEP=   -0.4238365910E-06   -0.4065978129E-06     673.9825317        0.6032751792E-09
J1,K1,R1,R2,RAT=   9   9   -0.4595340136E-01     2.045943948        0.9540465986    
FOB,PFOB,DIAG,PSTEP=   -0.7510556915E-06   -0.7180583136E-06     630.8533398        0.1138238735E-08
J1,K1,R1,R2,RAT=  10  10   -0.8058285056         2.805835944        0.1941714944    
FOB,PFOB,DIAG,PSTEP=   -0.5364309068E-07   -0.2970557810E-07     600.5961218        0.4945997243E-10
J1,K1,R1,R2,RAT=  11  11   -0.2426171761         2.242619081        0.7573828239    
FOB,PFOB,DIAG,PSTEP=    0.9208369372E-08    0.7410464993E-08     586.3378629       -0.1263854580E-10
J1,K1,R1,R2,RAT= 109 109   -0.4102104175E-01     2.041012487        0.9589789582    
FOB,PFOB,DIAG,PSTEP=   -0.5492832581E-05   -0.5276388694E-05     13.91205794        0.3792689251E-06
J1,K1,R1,R2,RAT= 110 110     2.146799366       -0.1468027524        0.8531972476    
FOB,PFOB,DIAG,PSTEP=    0.1063975471E-04   -0.9277752765E-05     12.24446220        0.7577113903E-06
J1,K1,R1,R2,RAT= 111 111     2.349970578       -0.3499581182        0.6500418818    
FOB,PFOB,DIAG,PSTEP=    0.2494386394E-05   -0.1847753933E-05     10.08639140        0.1831916242E-06
J1,K1,R1,R2,RAT= 112 112     670.6076433        0.3961009963        0.6038990037    
FOB,PFOB,DIAG,PSTEP=   -0.3066088265E-01    0.3069712436E-01     9.149613433       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1574.556961       -0.7844208080        0.2155791920    
FOB,PFOB,DIAG,PSTEP=   -0.1010247480        0.1009241401         5.757285262       -0.2227744304E-04
J1,K1,R1,R2,RAT= 114 114    -57977.05677        0.1391975484        0.8608024516    
FOB,PFOB,DIAG,PSTEP=   -0.9137810663        0.9137766785         3.152208558        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03066     -0.10102     -0.91378 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3812177410
 Log product of positive Hessian eigenvalues =          519.0758498883
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1522085575
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000017
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000038
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000071
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000043
 Unscaled step for mode   60=       -0.0000000016
 Unscaled step for mode   61=       -0.0000000075
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=       -0.0000000171
 Unscaled step for mode   64=        0.0000000018
 Unscaled step for mode   65=        0.0000000109
 Unscaled step for mode   66=       -0.0000000059
 Unscaled step for mode   67=        0.0000000160
 Unscaled step for mode   68=        0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=       -0.0000000125
 Unscaled step for mode   71=       -0.0000000071
 Unscaled step for mode   72=       -0.0000000085
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=        0.0000000003
 Unscaled step for mode   75=       -0.0000000006
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=       -0.0000000162
 Unscaled step for mode   78=       -0.0000000089
 Unscaled step for mode   79=        0.0000000086
 Unscaled step for mode   80=        0.0000000069
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000161
 Unscaled step for mode   83=       -0.0000000024
 Unscaled step for mode   84=       -0.0000000069
 Unscaled step for mode   85=       -0.0000000309
 Unscaled step for mode   86=       -0.0000000089
 Unscaled step for mode   87=       -0.0000000158
 Unscaled step for mode   88=        0.0000000168
 Unscaled step for mode   89=       -0.0000000346
 Unscaled step for mode   90=        0.0000000389
 Unscaled step for mode   91=        0.0000000509
 Unscaled step for mode   92=       -0.0000000680
 Unscaled step for mode   93=       -0.0000000639
 Unscaled step for mode   94=       -0.0000000107
 Unscaled step for mode   95=        0.0000000430
 Unscaled step for mode   96=       -0.0000000270
 Unscaled step for mode   97=       -0.0000000769
 Unscaled step for mode   98=        0.0000000185
 Unscaled step for mode   99=        0.0000000601
 Unscaled step for mode  100=       -0.0000000470
 Unscaled step for mode  101=        0.0000003528
 Unscaled step for mode  102=       -0.0000000132
 Unscaled step for mode  103=       -0.0000000909
 Unscaled step for mode  104=       -0.0000000298
 Unscaled step for mode  105=       -0.0000002839
 Unscaled step for mode  106=        0.0000002427
 Unscaled step for mode  107=        0.0000011368
 Unscaled step for mode  108=       -0.0000015172
 Unscaled step for mode  109=        0.0000003948
 Unscaled step for mode  110=       -0.0000008689
 Unscaled step for mode  111=       -0.0000002473
 Unscaled step for mode  112=        0.0033510201
 Unscaled step for mode  113=        0.0175418893
 Unscaled step for mode  114=       -0.2689217435
 Largest modulus ratio of non-zero e/values=           236.9425431    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.230285E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.212140E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.407375E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.153664E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.583341E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.331460E-14    0.974316E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171029E-06    0.746892E+03  0.228988E-09 0.100000E-04    0.995109E+00
   8   -0.423837E-06    0.673983E+03  0.628854E-09 0.100000E-04    0.957602E+00
   9   -0.751056E-06    0.630853E+03  0.119054E-08 0.100000E-04    0.954047E+00
  10   -0.536431E-07    0.600596E+03  0.893164E-10 0.109000E-04    0.194171E+00
  11    0.920837E-08    0.586338E+03 -0.157049E-10 0.100000E-04    0.757383E+00
  12   -0.107485E-05    0.578900E+03  0.185672E-08 0.100000E-04    0.950195E+00
  13    0.455624E-07    0.564682E+03 -0.806868E-10 0.100000E-04    0.925325E+00
  14    0.450253E-06    0.487433E+03 -0.923722E-09 0.100000E-04    0.937872E+00
  15   -0.457933E-06    0.460535E+03  0.994350E-09 0.100000E-04    0.947187E+00
  16   -0.148045E-06    0.459742E+03  0.322018E-09 0.100000E-04    0.816130E+00
  17   -0.639654E-06    0.441632E+03  0.144839E-08 0.100000E-04    0.915667E+00
  18   -0.431211E-06    0.429456E+03  0.100409E-08 0.100000E-04    0.941702E+00
  19   -0.119940E-06    0.421870E+03  0.284307E-09 0.100000E-04    0.779976E+00
  20   -0.393123E-06    0.407853E+03  0.963886E-09 0.100000E-04    0.931818E+00
  21   -0.452795E-06    0.396305E+03  0.114254E-08 0.100000E-04    0.927968E+00
  22   -0.639402E-06    0.387388E+03  0.165055E-08 0.100000E-04    0.995431E+00
  23    0.850371E-06    0.370056E+03 -0.229795E-08 0.100000E-04    0.931401E+00
  24   -0.435240E-06    0.360577E+03  0.120706E-08 0.100000E-04    0.983568E+00
  25   -0.532765E-07    0.349304E+03  0.152522E-09 0.100000E-04    0.608104E+00
  26   -0.230649E-08    0.335334E+03  0.687820E-11 0.109000E-04    0.445198E-01
  27    0.407720E-06    0.329353E+03 -0.123794E-08 0.100000E-04    0.900221E+00
  28   -0.428985E-06    0.321816E+03  0.133301E-08 0.100000E-04    0.907329E+00
  29   -0.147935E-06    0.319163E+03  0.463507E-09 0.100000E-04    0.313895E+00
  30   -0.142342E-05    0.309329E+03  0.460166E-08 0.100000E-04    0.968628E+00
  31   -0.108485E-05    0.300785E+03  0.360675E-08 0.100000E-04    0.961830E+00
  32   -0.128103E-05    0.290605E+03  0.440814E-08 0.100000E-04    0.974716E+00
  33   -0.705556E-07    0.279078E+03  0.252817E-09 0.100000E-04    0.586426E+00
  34    0.377305E-08    0.272762E+03 -0.138328E-10 0.109000E-04    0.927685E-01
  35    0.105033E-05    0.268552E+03 -0.391110E-08 0.100000E-04    0.976056E+00
  36    0.125775E-05    0.264972E+03 -0.474675E-08 0.100000E-04    0.987321E+00
  37   -0.543067E-06    0.263870E+03  0.205809E-08 0.100000E-04    0.904371E+00
  38   -0.133343E-06    0.253183E+03  0.526668E-09 0.100000E-04    0.972986E+00
  39   -0.379335E-06    0.241591E+03  0.157015E-08 0.100000E-04    0.916047E+00
  40   -0.124857E-05    0.240796E+03  0.518518E-08 0.100000E-04    0.989612E+00
  41   -0.975796E-06    0.234056E+03  0.416907E-08 0.100000E-04    0.991495E+00
  42   -0.175223E-05    0.227538E+03  0.770086E-08 0.100000E-04    0.971271E+00
  43   -0.519245E-08    0.217174E+03  0.239091E-10 0.100000E-04    0.865716E+00
  44   -0.199763E-05    0.214900E+03  0.929564E-08 0.100000E-04    0.973528E+00
  45    0.709844E-06    0.213244E+03 -0.332878E-08 0.100000E-04    0.982524E+00
  46    0.108231E-05    0.207704E+03 -0.521085E-08 0.100000E-04    0.985602E+00
  47   -0.761483E-06    0.202975E+03  0.375160E-08 0.100000E-04    0.970069E+00
  48   -0.128867E-05    0.195388E+03  0.659547E-08 0.100000E-04    0.937248E+00
  49    0.100091E-05    0.194862E+03 -0.513649E-08 0.100000E-04    0.953324E+00
  50    0.136605E-05    0.191388E+03 -0.713760E-08 0.100000E-04    0.886378E+00
  51    0.247114E-06    0.183001E+03 -0.135034E-08 0.100000E-04    0.872468E+00
  52   -0.643315E-06    0.174399E+03  0.368876E-08 0.100000E-04    0.938112E+00
  53   -0.119230E-06    0.172350E+03  0.691786E-09 0.100000E-04    0.860241E+00
  54   -0.207928E-06    0.168231E+03  0.123597E-08 0.100000E-04    0.942562E+00
  55   -0.817056E-06    0.163204E+03  0.500636E-08 0.100000E-04    0.989333E+00
  56    0.138209E-05    0.156862E+03 -0.881090E-08 0.100000E-04    0.976915E+00
  57   -0.403628E-06    0.154941E+03  0.260505E-08 0.100000E-04    0.831197E+00
  58   -0.916888E-06    0.152245E+03  0.602245E-08 0.100000E-04    0.996129E+00
  59   -0.624920E-06    0.146632E+03  0.426183E-08 0.100000E-04    0.996856E+00
  60    0.230584E-06    0.143325E+03 -0.160882E-08 0.100000E-04    0.706166E+00
  61    0.103378E-05    0.138122E+03 -0.748452E-08 0.100000E-04    0.818699E+00
  62    0.968268E-06    0.135873E+03 -0.712627E-08 0.100000E-04    0.975766E+00
  63    0.222491E-05    0.130277E+03 -0.170783E-07 0.100000E-04    0.925428E+00
  64   -0.228641E-06    0.128852E+03  0.177445E-08 0.100000E-04    0.291668E+00
  65   -0.138729E-05    0.126910E+03  0.109313E-07 0.100000E-04    0.889604E+00
  66    0.729940E-06    0.124011E+03 -0.588608E-08 0.100000E-04    0.890653E+00
  67   -0.191545E-05    0.120022E+03  0.159592E-07 0.100000E-04    0.966355E+00
  68   -0.469696E-06    0.118175E+03  0.397458E-08 0.100000E-04    0.937724E+00
  69   -0.665353E-07    0.116814E+03  0.569584E-09 0.100000E-04    0.291190E+01
  70    0.138461E-05    0.110377E+03 -0.125445E-07 0.100000E-04    0.951045E+00
  71    0.755722E-06    0.106817E+03 -0.707491E-08 0.100000E-04    0.920657E+00
  72    0.890406E-06    0.104466E+03 -0.852340E-08 0.100000E-04    0.874357E+00
  73   -0.169159E-06    0.102860E+03  0.164457E-08 0.100000E-04    0.728460E+00
  74   -0.315299E-07    0.995085E+02  0.316856E-09 0.100000E-04    0.446417E+00
  75    0.553241E-07    0.960791E+02 -0.575818E-09 0.100000E-04    0.309870E+00
  76    0.188431E-06    0.940907E+02 -0.200266E-08 0.100000E-04    0.864929E+00
  77    0.149135E-05    0.919458E+02 -0.162198E-07 0.100000E-04    0.962889E+00
  78    0.815772E-06    0.912434E+02 -0.894061E-08 0.100000E-04    0.975425E+00
  79   -0.758038E-06    0.883904E+02  0.857602E-08 0.100000E-04    0.987616E+00
  80   -0.588865E-06    0.856259E+02  0.687718E-08 0.100000E-04    0.919570E+00
  81    0.128848E-05    0.808393E+02 -0.159388E-07 0.100000E-04    0.995960E+00
  82   -0.129384E-05    0.805398E+02  0.160645E-07 0.100000E-04    0.937573E+00
  83    0.183703E-06    0.779443E+02 -0.235685E-08 0.100000E-04    0.774267E+00
  84    0.502558E-06    0.732732E+02 -0.685868E-08 0.100000E-04    0.418375E+00
  85    0.224018E-05    0.725239E+02 -0.308889E-07 0.100000E-04    0.892361E+00
  86    0.603972E-06    0.679006E+02 -0.889494E-08 0.100000E-04    0.845087E+00
  87    0.102153E-05    0.647282E+02 -0.157818E-07 0.100000E-04    0.788184E+00
  88   -0.103203E-05    0.613239E+02  0.168291E-07 0.100000E-04    0.956875E+00
  89    0.206856E-05    0.598225E+02 -0.345783E-07 0.100000E-04    0.950040E+00
  90   -0.231182E-05    0.594059E+02  0.389157E-07 0.100000E-04    0.980305E+00
  91   -0.295943E-05    0.581339E+02  0.509072E-07 0.100000E-04    0.931219E+00
  92    0.379847E-05    0.558616E+02 -0.679979E-07 0.100000E-04    0.954900E+00
  93    0.334989E-05    0.524399E+02 -0.638805E-07 0.100000E-04    0.987026E+00
  94    0.554796E-06    0.520085E+02 -0.106674E-07 0.100000E-04    0.847020E+00
  95   -0.216263E-05    0.502744E+02  0.430165E-07 0.100000E-04    0.886135E+00
  96    0.124481E-05    0.461341E+02 -0.269824E-07 0.100000E-04    0.934636E+00
  97    0.333422E-05    0.433729E+02 -0.768733E-07 0.100000E-04    0.889460E+00
  98   -0.757008E-06    0.409227E+02  0.184985E-07 0.100000E-04    0.561724E+00
  99   -0.227716E-05    0.378654E+02  0.601382E-07 0.100000E-04    0.800226E+00
 100    0.170209E-05    0.361884E+02 -0.470342E-07 0.100000E-04    0.895423E+00
 101   -0.113772E-04    0.322470E+02  0.352813E-06 0.100000E-04    0.947716E+00
 102    0.382423E-06    0.289207E+02 -0.132232E-07 0.100000E-04    0.595715E+00
 103    0.258530E-05    0.284561E+02 -0.908522E-07 0.100000E-04    0.963633E+00
 104    0.783657E-06    0.263151E+02 -0.297798E-07 0.100000E-04    0.730047E+00
 105    0.662241E-05    0.233273E+02 -0.283891E-06 0.100000E-04    0.935402E+00
 106   -0.517890E-05    0.213407E+02  0.242678E-06 0.100000E-04    0.969790E+00
 107   -0.225645E-04    0.198485E+02  0.113684E-05 0.100000E-04    0.928128E+00
 108    0.249573E-04    0.164500E+02 -0.151717E-05 0.100000E-04    0.937754E+00
 109   -0.549283E-05    0.139121E+02  0.394825E-06 0.100000E-04    0.958979E+00
 110    0.106398E-04    0.122445E+02 -0.868944E-06 0.100000E-04    0.853197E+00
 111    0.249439E-05    0.100864E+02 -0.247302E-06 0.100000E-04    0.650042E+00
 112   -0.306609E-01    0.914961E+01  0.100000E-04 0.100000E-04    0.603899E+00
 113   -0.101025E+00    0.575729E+01  0.200698E-04 0.200698E-04    0.215579E+00
 114   -0.913781E+00    0.315221E+01 -0.100000E-04 0.100000E-04    0.860802E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2006976851E-04    0.2689217435    

 Beginning of optimization cycle  663.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990685217
 potential> RMS force:                                               0.0861542162   |gradient|=.9198753080    
 Eigenvalues of the Hessian matrix:
   746.89607    673.98131    630.85620    600.59387    586.33738    578.89990 
   564.67838    487.43315    460.53400    459.74125    441.63184    429.45674 
   421.86905    407.85121    396.30432    387.38626    370.05691    360.57761 
   349.30361    335.33458    329.35386    321.81610    319.16404    309.32737 
   300.78396    290.60461    279.07904    272.76197    268.55204    264.97230 
   263.87049    253.18194    241.59146    240.79653    234.05705    227.53780 
   217.17520    214.90004    213.24419    207.70424    202.97509    195.38682 
   194.86259    191.38882    183.00131    174.39941    172.35072    168.23153 
   163.20326    156.86144    154.94102    152.24496    146.63133    143.32467 
   138.12266    135.87305    130.27686    128.85185    126.90995    124.01004 
   120.02182    118.17508    116.81341    110.37681    106.81698    104.46629 
   102.85968     99.50848     96.07890     94.09044     91.94538     91.24360 
    88.38985     85.62621     80.83937     80.54046     77.94405     73.27305 
    72.52338     67.90035     64.72779     61.32347     59.82227     59.40599 
    58.13391     55.86141     52.43985     52.00818     50.27502     46.13375 
    43.37349     40.92283     37.86539     36.18806     32.24668     28.92098 
    28.45613     26.31533     23.32718     21.34093     19.84836     16.44988 
    13.91212     12.24448     10.08633      9.15108      5.75745      3.15190 
overlap for current and previous eigenvector    109 is        -0.9999999894
overlap for current and previous eigenvector    110 is        -0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999622
overlap for current and previous eigenvector    112 is        -0.9999999320
overlap for current and previous eigenvector    113 is         0.9999999402
overlap for current and previous eigenvector    114 is         0.9999999694
J1,K1,R1,R2,RAT=   7   7   -0.1199057227E-01     2.011980511        0.9880094277    
FOB,PFOB,DIAG,PSTEP=   -0.1730798793E-06   -0.1710291318E-06     746.8960695        0.2289876720E-09
J1,K1,R1,R2,RAT=   8   8    0.4878784219E-01     1.951215788        0.9512121578    
FOB,PFOB,DIAG,PSTEP=   -0.4031585559E-06   -0.4238365910E-06     673.9813083        0.6288539704E-09
J1,K1,R1,R2,RAT=   9   9    0.5343844327E-01     1.946552475        0.9465524748    
FOB,PFOB,DIAG,PSTEP=   -0.7109202623E-06   -0.7510556915E-06     630.8562045        0.1190539297E-08
J1,K1,R1,R2,RAT=  10  10    0.5174017534         1.482605752        0.4825982466    
FOB,PFOB,DIAG,PSTEP=   -0.2588816567E-07   -0.5364309068E-07     600.5938679        0.8931641203E-10
J1,K1,R1,R2,RAT=  11  11    0.3588366969         1.641164940        0.6411633031    
FOB,PFOB,DIAG,PSTEP=    0.5904071227E-08    0.9208369372E-08     586.3373830       -0.1570488613E-10
J1,K1,R1,R2,RAT= 109 109     1.954867764        0.4512384586E-01    0.9548677641    
FOB,PFOB,DIAG,PSTEP=    0.5244973810E-05   -0.5492832581E-05     13.91211631        0.3948253093E-06
J1,K1,R1,R2,RAT= 110 110     1.847691810        0.1523047508        0.8476918096    
FOB,PFOB,DIAG,PSTEP=   -0.9019266736E-05    0.1063975471E-04     12.24448325       -0.8689442250E-06
J1,K1,R1,R2,RAT= 111 111     1.744175873        0.2558371170        0.7441628830    
FOB,PFOB,DIAG,PSTEP=   -0.1856233915E-05    0.2494386394E-05     10.08632589       -0.2473021615E-06
J1,K1,R1,R2,RAT= 112 112     669.6719305        0.4322483462        0.5677516538    
FOB,PFOB,DIAG,PSTEP=    0.3062132726E-01   -0.3066088265E-01     9.151079375        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8440487770         1749.424077        0.1559512230    
FOB,PFOB,DIAG,PSTEP=   -0.1011222784       -0.1010247480         5.757446283        0.2006976851E-04
J1,K1,R1,R2,RAT= 114 114    0.1972610212        -57983.01573        0.8027389788    
FOB,PFOB,DIAG,PSTEP=   -0.9137872838       -0.9137810663         3.151902893       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000      0.00000      0.00001      0.00000      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03062     -0.10112     -0.91379 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3811958093
 Log product of positive Hessian eigenvalues =          519.0759147044
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1519028926
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=       -0.0000000022
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000043
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=        0.0000000061
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=       -0.0000000156
 Unscaled step for mode   64=       -0.0000000009
 Unscaled step for mode   65=        0.0000000097
 Unscaled step for mode   66=        0.0000000052
 Unscaled step for mode   67=        0.0000000153
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=       -0.0000000118
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=       -0.0000000100
 Unscaled step for mode   73=        0.0000000012
 Unscaled step for mode   74=        0.0000000008
 Unscaled step for mode   75=        0.0000000021
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=       -0.0000000086
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000149
 Unscaled step for mode   83=        0.0000000032
 Unscaled step for mode   84=       -0.0000000039
 Unscaled step for mode   85=       -0.0000000274
 Unscaled step for mode   86=        0.0000000074
 Unscaled step for mode   87=       -0.0000000124
 Unscaled step for mode   88=        0.0000000176
 Unscaled step for mode   89=       -0.0000000326
 Unscaled step for mode   90=        0.0000000379
 Unscaled step for mode   91=        0.0000000466
 Unscaled step for mode   92=        0.0000000643
 Unscaled step for mode   93=        0.0000000627
 Unscaled step for mode   94=        0.0000000128
 Unscaled step for mode   95=       -0.0000000380
 Unscaled step for mode   96=       -0.0000000247
 Unscaled step for mode   97=        0.0000000676
 Unscaled step for mode   98=       -0.0000000120
 Unscaled step for mode   99=       -0.0000000484
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003305
 Unscaled step for mode  102=       -0.0000000033
 Unscaled step for mode  103=        0.0000000871
 Unscaled step for mode  104=       -0.0000000438
 Unscaled step for mode  105=       -0.0000002627
 Unscaled step for mode  106=       -0.0000002335
 Unscaled step for mode  107=       -0.0000010431
 Unscaled step for mode  108=       -0.0000014075
 Unscaled step for mode  109=       -0.0000003770
 Unscaled step for mode  110=        0.0000007366
 Unscaled step for mode  111=        0.0000001840
 Unscaled step for mode  112=       -0.0033461609
 Unscaled step for mode  113=        0.0175583232
 Unscaled step for mode  114=       -0.2689458879
 Largest modulus ratio of non-zero e/values=           236.9667134    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.720994E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.171575E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.131586E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.650548E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.762194E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.398026E-14    0.974317E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173080E-06    0.746896E+03  0.231732E-09 0.100000E-04    0.988009E+00
   8   -0.403159E-06    0.673981E+03  0.598175E-09 0.100000E-04    0.951212E+00
   9   -0.710920E-06    0.630856E+03  0.112691E-08 0.100000E-04    0.946552E+00
  10   -0.258882E-07    0.600594E+03  0.431043E-10 0.100000E-04    0.482598E+00
  11    0.590407E-08    0.586337E+03 -0.100694E-10 0.100000E-04    0.641163E+00
  12   -0.101403E-05    0.578900E+03  0.175165E-08 0.100000E-04    0.943412E+00
  13    0.496232E-07    0.564678E+03 -0.878787E-10 0.100000E-04    0.910874E+00
  14    0.419860E-06    0.487433E+03 -0.861369E-09 0.100000E-04    0.932497E+00
  15   -0.430085E-06    0.460534E+03  0.933884E-09 0.100000E-04    0.939187E+00
  16   -0.120616E-06    0.459741E+03  0.262356E-09 0.100000E-04    0.814723E+00
  17   -0.581229E-06    0.441632E+03  0.131609E-08 0.100000E-04    0.908661E+00
  18   -0.401996E-06    0.429457E+03  0.936056E-09 0.100000E-04    0.932242E+00
  19   -0.159498E-06    0.421869E+03  0.378075E-09 0.100000E-04    0.670189E+00
  20   -0.362927E-06    0.407851E+03  0.889851E-09 0.100000E-04    0.923187E+00
  21   -0.416396E-06    0.396304E+03  0.105070E-08 0.100000E-04    0.919613E+00
  22   -0.634070E-06    0.387386E+03  0.163679E-08 0.100000E-04    0.991662E+00
  23    0.785431E-06    0.370057E+03 -0.212246E-08 0.100000E-04    0.923631E+00
  24   -0.426149E-06    0.360578E+03  0.118185E-08 0.100000E-04    0.979111E+00
  25   -0.930557E-07    0.349304E+03  0.266404E-09 0.100000E-04    0.253344E+00
  26   -0.622130E-07    0.335335E+03  0.185525E-09 0.100000E-04    0.249729E+02
  27    0.362600E-06    0.329354E+03 -0.110094E-08 0.100000E-04    0.889331E+00
  28   -0.384148E-06    0.321816E+03  0.119369E-08 0.100000E-04    0.895481E+00
  29   -0.724675E-07    0.319164E+03  0.227054E-09 0.100000E-04    0.489859E+00
  30   -0.136582E-05    0.309327E+03  0.441544E-08 0.100000E-04    0.959529E+00
  31   -0.103628E-05    0.300784E+03  0.344527E-08 0.100000E-04    0.955225E+00
  32   -0.124055E-05    0.290605E+03  0.426885E-08 0.100000E-04    0.968400E+00
  33   -0.186652E-07    0.279079E+03  0.668814E-10 0.100000E-04    0.264539E+00
  34   -0.504477E-07    0.272762E+03  0.184951E-09 0.100000E-04    0.113705E+02
  35    0.101737E-05    0.268552E+03 -0.378837E-08 0.100000E-04    0.968619E+00
  36    0.123721E-05    0.264972E+03 -0.466920E-08 0.100000E-04    0.983663E+00
  37   -0.487220E-06    0.263870E+03  0.184644E-08 0.100000E-04    0.897161E+00
  38   -0.137175E-06    0.253182E+03  0.541804E-09 0.100000E-04    0.971263E+00
  39   -0.423187E-06    0.241591E+03  0.175166E-08 0.100000E-04    0.884397E+00
  40   -0.123103E-05    0.240797E+03  0.511231E-08 0.100000E-04    0.985947E+00
  41   -0.985919E-06    0.234057E+03  0.421230E-08 0.100000E-04    0.989627E+00
  42   -0.168741E-05    0.227538E+03  0.741595E-08 0.100000E-04    0.963002E+00
  43   -0.269227E-08    0.217175E+03  0.123968E-10 0.100000E-04    0.518492E+00
  44   -0.193358E-05    0.214900E+03  0.899758E-08 0.100000E-04    0.967935E+00
  45    0.722217E-06    0.213244E+03 -0.338681E-08 0.100000E-04    0.982570E+00
  46    0.106520E-05    0.207704E+03 -0.512843E-08 0.100000E-04    0.984181E+00
  47   -0.735483E-06    0.202975E+03  0.362351E-08 0.100000E-04    0.965855E+00
  48   -0.119327E-05    0.195387E+03  0.610722E-08 0.100000E-04    0.925969E+00
  49    0.948853E-06    0.194863E+03 -0.486934E-08 0.100000E-04    0.947989E+00
  50    0.119794E-05    0.191389E+03 -0.625917E-08 0.100000E-04    0.876927E+00
  51    0.213181E-06    0.183001E+03 -0.116492E-08 0.100000E-04    0.862677E+00
  52   -0.596550E-06    0.174399E+03  0.342060E-08 0.100000E-04    0.927298E+00
  53   -0.143333E-06    0.172351E+03  0.831634E-09 0.100000E-04    0.797845E+00
  54   -0.222247E-06    0.168232E+03  0.132108E-08 0.100000E-04    0.931135E+00
  55    0.822835E-06    0.163203E+03 -0.504178E-08 0.100000E-04    0.992926E+00
  56    0.134394E-05    0.156861E+03 -0.856769E-08 0.100000E-04    0.972394E+00
  57    0.336363E-06    0.154941E+03 -0.217091E-08 0.100000E-04    0.833344E+00
  58    0.917975E-06    0.152245E+03 -0.602959E-08 0.100000E-04    0.998815E+00
  59    0.624679E-06    0.146631E+03 -0.426020E-08 0.100000E-04    0.999614E+00
  60    0.169908E-06    0.143325E+03 -0.118547E-08 0.100000E-04    0.736857E+00
  61   -0.845493E-06    0.138123E+03  0.612132E-08 0.100000E-04    0.817861E+00
  62   -0.937804E-06    0.135873E+03  0.690206E-08 0.100000E-04    0.968538E+00
  63    0.203745E-05    0.130277E+03 -0.156394E-07 0.100000E-04    0.915744E+00
  64    0.114174E-06    0.128852E+03 -0.886085E-09 0.100000E-04    0.499356E+00
  65   -0.122474E-05    0.126910E+03  0.965043E-08 0.100000E-04    0.882822E+00
  66   -0.646823E-06    0.124010E+03  0.521589E-08 0.100000E-04    0.886131E+00
  67   -0.183837E-05    0.120022E+03  0.153170E-07 0.100000E-04    0.959756E+00
  68   -0.436731E-06    0.118175E+03  0.369563E-08 0.100000E-04    0.929816E+00
  69   -0.762093E-08    0.116813E+03  0.652402E-10 0.109000E-04    0.114537E+00
  70    0.130612E-05    0.110377E+03 -0.118333E-07 0.100000E-04    0.943303E+00
  71   -0.689648E-06    0.106817E+03  0.645635E-08 0.100000E-04    0.912568E+00
  72    0.104218E-05    0.104466E+03 -0.997624E-08 0.100000E-04    0.829544E+00
  73   -0.125710E-06    0.102860E+03  0.122215E-08 0.100000E-04    0.743145E+00
  74   -0.758735E-07    0.995085E+02  0.762483E-09 0.100000E-04    0.406403E+00
  75   -0.198510E-06    0.960789E+02  0.206611E-08 0.100000E-04    0.158813E+01
  76    0.160194E-06    0.940904E+02 -0.170255E-08 0.100000E-04    0.850143E+00
  77   -0.155715E-05    0.919454E+02  0.169356E-07 0.100000E-04    0.955874E+00
  78    0.787885E-06    0.912436E+02 -0.863496E-08 0.100000E-04    0.965811E+00
  79   -0.743690E-06    0.883899E+02  0.841374E-08 0.100000E-04    0.981072E+00
  80   -0.538231E-06    0.856262E+02  0.628582E-08 0.100000E-04    0.914008E+00
  81    0.127884E-05    0.808394E+02 -0.158195E-07 0.100000E-04    0.992513E+00
  82   -0.120206E-05    0.805405E+02  0.149249E-07 0.100000E-04    0.929048E+00
  83   -0.246002E-06    0.779441E+02  0.315613E-08 0.100000E-04    0.660872E+00
  84    0.282443E-06    0.732731E+02 -0.385466E-08 0.100000E-04    0.562009E+00
  85    0.198672E-05    0.725234E+02 -0.273942E-07 0.100000E-04    0.886856E+00
  86   -0.504995E-06    0.679004E+02  0.743729E-08 0.100000E-04    0.836122E+00
  87    0.804830E-06    0.647278E+02 -0.124341E-07 0.100000E-04    0.787867E+00
  88   -0.107966E-05    0.613235E+02  0.176060E-07 0.100000E-04    0.953845E+00
  89    0.195242E-05    0.598223E+02 -0.326370E-07 0.100000E-04    0.943854E+00
  90   -0.225224E-05    0.594060E+02  0.379127E-07 0.100000E-04    0.974225E+00
  91   -0.270933E-05    0.581339E+02  0.466050E-07 0.100000E-04    0.915490E+00
  92   -0.359161E-05    0.558614E+02  0.642950E-07 0.100000E-04    0.945541E+00
  93   -0.328588E-05    0.524399E+02  0.626599E-07 0.100000E-04    0.980891E+00
  94   -0.665578E-06    0.520082E+02  0.127976E-07 0.100000E-04    0.800318E+00
  95    0.190904E-05    0.502750E+02 -0.379719E-07 0.100000E-04    0.882717E+00
  96    0.114115E-05    0.461337E+02 -0.247357E-07 0.100000E-04    0.916728E+00
  97   -0.293389E-05    0.433735E+02  0.676425E-07 0.100000E-04    0.879910E+00
  98    0.492374E-06    0.409228E+02 -0.120318E-07 0.100000E-04    0.650416E+00
  99    0.183220E-05    0.378654E+02 -0.483872E-07 0.100000E-04    0.804600E+00
 100    0.150937E-05    0.361881E+02 -0.417090E-07 0.100000E-04    0.886773E+00
 101   -0.106575E-04    0.322467E+02  0.330499E-06 0.100000E-04    0.936742E+00
 102    0.947493E-07    0.289210E+02 -0.327614E-08 0.100000E-04    0.247746E+00
 103   -0.247875E-05    0.284561E+02  0.871078E-07 0.100000E-04    0.958783E+00
 104    0.115132E-05    0.263153E+02 -0.437509E-07 0.100000E-04    0.530841E+00
 105    0.612743E-05    0.233272E+02 -0.262673E-06 0.100000E-04    0.925256E+00
 106    0.498349E-05    0.213409E+02 -0.233518E-06 0.100000E-04    0.962245E+00
 107    0.207044E-04    0.198484E+02 -0.104313E-05 0.100000E-04    0.917565E+00
 108    0.231531E-04    0.164499E+02 -0.140749E-05 0.100000E-04    0.927707E+00
 109    0.524497E-05    0.139121E+02 -0.377008E-06 0.100000E-04    0.954868E+00
 110   -0.901927E-05    0.122445E+02  0.736598E-06 0.100000E-04    0.847692E+00
 111   -0.185623E-05    0.100863E+02  0.184035E-06 0.100000E-04    0.744163E+00
 112    0.306213E-01    0.915108E+01 -0.100000E-04 0.100000E-04    0.567752E+00
 113   -0.101122E+00    0.575745E+01  0.218760E-04 0.218760E-04    0.155951E+00
 114   -0.913787E+00    0.315190E+01 -0.100000E-04 0.100000E-04    0.802739E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2187604767E-04    0.2689458879    

 Beginning of optimization cycle  664.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990619002
 potential> RMS force:                                               0.0861555667   |gradient|=.9198897280    
 Eigenvalues of the Hessian matrix:
   746.89991    673.97988    630.85916    600.59164    586.33684    578.90003 
   564.67423    487.43273    460.53270    459.74071    441.63126    429.45810 
   421.86841    407.84956    396.30373    387.38483    370.05738    360.57779 
   349.30293    335.33524    329.35474    321.81582    319.16478    309.32621 
   300.78342    290.60469    279.08057    272.76245    268.55233    264.97263 
   263.87112    253.18137    241.59186    240.79688    234.05787    227.53816 
   217.17598    214.90017    213.24391    207.70475    202.97468    195.38601 
   194.86299    191.38928    183.00208    174.40016    172.35097    168.23182 
   163.20293    156.86122    154.94155    152.24478    146.63073    143.32425 
   138.12319    135.87305    130.27660    128.85206    126.91015    124.00889 
   120.02200    118.17520    116.81297    110.37706    106.81682    104.46651 
   102.85975     99.50841     96.07869     94.09019     91.94499     91.24383 
    88.38934     85.62651     80.83946     80.54115     77.94382     73.27282 
    72.52278     67.90002     64.72734     61.32304     59.82200     59.40608 
    58.13386     55.86116     52.43974     52.00779     50.27561     46.13331 
    43.37407     40.92294     37.86533     36.18767     32.24630     28.92132 
    28.45619     26.31563     23.32709     21.34117     19.84828     16.44978 
    13.91218     12.24450     10.08626      9.15263      5.75762      3.15159 
overlap for current and previous eigenvector    109 is         0.9999999881
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999557
overlap for current and previous eigenvector    112 is         0.9999999223
overlap for current and previous eigenvector    113 is         0.9999999339
overlap for current and previous eigenvector    114 is         0.9999999658
J1,K1,R1,R2,RAT=   7   7    0.4466614898E-02     1.995523108        0.9955231081    
FOB,PFOB,DIAG,PSTEP=   -0.1723067941E-06   -0.1730798793E-06     746.8999074        0.2317322133E-09
J1,K1,R1,R2,RAT=   8   8   -0.4199772536E-01     2.042001965        0.9580022746    
FOB,PFOB,DIAG,PSTEP=   -0.4200902623E-06   -0.4031585559E-06     673.9798795        0.5981746836E-09
J1,K1,R1,R2,RAT=   9   9   -0.4560753121E-01     2.045598171        0.9543924688    
FOB,PFOB,DIAG,PSTEP=   -0.7433437321E-06   -0.7109202623E-06     630.8591570        0.1126913324E-08
J1,K1,R1,R2,RAT=  10  10   -0.9096206831         2.909628104        0.9037931691E-01
FOB,PFOB,DIAG,PSTEP=   -0.4943648923E-07   -0.2588816567E-07     600.5916394        0.4310427904E-10
J1,K1,R1,R2,RAT=  11  11   -0.2881002904         2.288102144        0.7118997096    
FOB,PFOB,DIAG,PSTEP=    0.7605034285E-08    0.5904071227E-08     586.3368396       -0.1006940952E-10
J1,K1,R1,R2,RAT= 109 109   -0.4103739147E-01     2.041028825        0.9589626085    
FOB,PFOB,DIAG,PSTEP=    0.5460214776E-05    0.5244973810E-05     13.91217590       -0.3770076166E-06
J1,K1,R1,R2,RAT= 110 110   -0.1483640066         2.148360513        0.8516359934    
FOB,PFOB,DIAG,PSTEP=   -0.1035740362E-04   -0.9019266736E-05     12.24450464        0.7365983970E-06
J1,K1,R1,R2,RAT= 111 111   -0.3481516332         2.348163997        0.6518483668    
FOB,PFOB,DIAG,PSTEP=   -0.2502480790E-05   -0.1856233915E-05     10.08626353        0.1840346957E-06
J1,K1,R1,R2,RAT= 112 112    0.4031055805         668.7234809        0.5968944195    
FOB,PFOB,DIAG,PSTEP=    0.3058443252E-01    0.3062132726E-01     9.152626089       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7892487041         1606.490308        0.2107512959    
FOB,PFOB,DIAG,PSTEP=   -0.1012216875       -0.1011222784         5.757623826        0.2187604767E-04
J1,K1,R1,R2,RAT= 114 114    0.1505713993        -57989.18466        0.8494286007    
FOB,PFOB,DIAG,PSTEP=   -0.9137920292       -0.9137872838         3.151586496       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
    -0.00000      0.00000      0.00001      0.00001      0.00002      0.00002 
     0.00001     -0.00001     -0.00000      0.03058     -0.10122     -0.91379 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3811753453
 Log product of positive Hessian eigenvalues =          519.0759840927
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1515864964
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000052
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=       -0.0000000025
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000042
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000072
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=       -0.0000000168
 Unscaled step for mode   64=       -0.0000000016
 Unscaled step for mode   65=        0.0000000107
 Unscaled step for mode   66=        0.0000000058
 Unscaled step for mode   67=        0.0000000158
 Unscaled step for mode   68=        0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=        0.0000000070
 Unscaled step for mode   72=       -0.0000000088
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=        0.0000000004
 Unscaled step for mode   75=        0.0000000008
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000163
 Unscaled step for mode   78=        0.0000000088
 Unscaled step for mode   79=        0.0000000085
 Unscaled step for mode   80=        0.0000000068
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000158
 Unscaled step for mode   83=        0.0000000025
 Unscaled step for mode   84=       -0.0000000063
 Unscaled step for mode   85=       -0.0000000303
 Unscaled step for mode   86=        0.0000000086
 Unscaled step for mode   87=       -0.0000000151
 Unscaled step for mode   88=        0.0000000168
 Unscaled step for mode   89=       -0.0000000343
 Unscaled step for mode   90=        0.0000000387
 Unscaled step for mode   91=        0.0000000498
 Unscaled step for mode   92=        0.0000000672
 Unscaled step for mode   93=        0.0000000634
 Unscaled step for mode   94=        0.0000000109
 Unscaled step for mode   95=       -0.0000000423
 Unscaled step for mode   96=       -0.0000000263
 Unscaled step for mode   97=        0.0000000752
 Unscaled step for mode   98=       -0.0000000176
 Unscaled step for mode   99=       -0.0000000582
 Unscaled step for mode  100=       -0.0000000461
 Unscaled step for mode  101=        0.0000003475
 Unscaled step for mode  102=       -0.0000000112
 Unscaled step for mode  103=        0.0000000903
 Unscaled step for mode  104=       -0.0000000331
 Unscaled step for mode  105=       -0.0000002795
 Unscaled step for mode  106=       -0.0000002405
 Unscaled step for mode  107=       -0.0000011174
 Unscaled step for mode  108=       -0.0000014942
 Unscaled step for mode  109=       -0.0000003925
 Unscaled step for mode  110=        0.0000008459
 Unscaled step for mode  111=        0.0000002481
 Unscaled step for mode  112=       -0.0033415646
 Unscaled step for mode  113=        0.0175750318
 Unscaled step for mode  114=       -0.2689704535
 Largest modulus ratio of non-zero e/values=           236.9917209    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.868880E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.136008E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.932631E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.411184E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.856293E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.371099E-14    0.974317E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172307E-06    0.746900E+03  0.230696E-09 0.100000E-04    0.995523E+00
   8   -0.420090E-06    0.673980E+03  0.623298E-09 0.100000E-04    0.958002E+00
   9   -0.743344E-06    0.630859E+03  0.117830E-08 0.100000E-04    0.954392E+00
  10   -0.494365E-07    0.600592E+03  0.823130E-10 0.109000E-04    0.903793E-01
  11    0.760503E-08    0.586337E+03 -0.129704E-10 0.100000E-04    0.711900E+00
  12   -0.106415E-05    0.578900E+03  0.183822E-08 0.100000E-04    0.950579E+00
  13    0.460013E-07    0.564674E+03 -0.814653E-10 0.100000E-04    0.927013E+00
  14    0.445744E-06    0.487433E+03 -0.914474E-09 0.100000E-04    0.938349E+00
  15   -0.452657E-06    0.460533E+03  0.982899E-09 0.100000E-04    0.947517E+00
  16   -0.143184E-06    0.459741E+03  0.311445E-09 0.100000E-04    0.812891E+00
  17   -0.630062E-06    0.441631E+03  0.142667E-08 0.100000E-04    0.915982E+00
  18   -0.425412E-06    0.429458E+03  0.990579E-09 0.100000E-04    0.941750E+00
  19   -0.126276E-06    0.421868E+03  0.299326E-09 0.100000E-04    0.791711E+00
  20   -0.387549E-06    0.407850E+03  0.950225E-09 0.100000E-04    0.932157E+00
  21   -0.446349E-06    0.396304E+03  0.112628E-08 0.100000E-04    0.928066E+00
  22   -0.636878E-06    0.387385E+03  0.164405E-08 0.100000E-04    0.995571E+00
  23    0.839122E-06    0.370057E+03 -0.226754E-08 0.100000E-04    0.931642E+00
  24   -0.433119E-06    0.360578E+03  0.120118E-08 0.100000E-04    0.983643E+00
  25   -0.591909E-07    0.349303E+03  0.169454E-09 0.100000E-04    0.636080E+00
  26   -0.139688E-07    0.335335E+03  0.416561E-10 0.100000E-04    0.224529E+00
  27    0.398682E-06    0.329355E+03 -0.121049E-08 0.100000E-04    0.900492E+00
  28   -0.419772E-06    0.321816E+03  0.130439E-08 0.100000E-04    0.907264E+00
  29   -0.131193E-06    0.319165E+03  0.411052E-09 0.109000E-04    0.189625E+00
  30   -0.140756E-05    0.309326E+03  0.455042E-08 0.100000E-04    0.969435E+00
  31   -0.107525E-05    0.300783E+03  0.357483E-08 0.100000E-04    0.962395E+00
  32   -0.127128E-05    0.290605E+03  0.437461E-08 0.100000E-04    0.975225E+00
  33   -0.610329E-07    0.279081E+03  0.218693E-09 0.100000E-04    0.126987E+01
  34   -0.702330E-08    0.272762E+03  0.257488E-10 0.109000E-04    0.139217E+00
  35    0.104136E-05    0.268552E+03 -0.387769E-08 0.100000E-04    0.976421E+00
  36    0.125244E-05    0.264973E+03 -0.472668E-08 0.100000E-04    0.987689E+00
  37   -0.533775E-06    0.263871E+03  0.202286E-08 0.100000E-04    0.904449E+00
  38   -0.133615E-06    0.253181E+03  0.527745E-09 0.100000E-04    0.974048E+00
  39   -0.389160E-06    0.241592E+03  0.161082E-08 0.100000E-04    0.919590E+00
  40   -0.124346E-05    0.240797E+03  0.516393E-08 0.100000E-04    0.989902E+00
  41   -0.977866E-06    0.234058E+03  0.417788E-08 0.100000E-04    0.991826E+00
  42   -0.173490E-05    0.227538E+03  0.762466E-08 0.100000E-04    0.971855E+00
  43   -0.332411E-08    0.217176E+03  0.153061E-10 0.100000E-04    0.765314E+00
  44   -0.198404E-05    0.214900E+03  0.923237E-08 0.100000E-04    0.973905E+00
  45    0.709665E-06    0.213244E+03 -0.332795E-08 0.100000E-04    0.982621E+00
  46    0.108043E-05    0.207705E+03 -0.520178E-08 0.100000E-04    0.985696E+00
  47   -0.757171E-06    0.202975E+03  0.373037E-08 0.100000E-04    0.970511E+00
  48   -0.126776E-05    0.195386E+03  0.648848E-08 0.100000E-04    0.937577E+00
  49    0.992652E-06    0.194863E+03 -0.509410E-08 0.100000E-04    0.953840E+00
  50    0.133446E-05    0.191389E+03 -0.697249E-08 0.100000E-04    0.886034E+00
  51    0.240494E-06    0.183002E+03 -0.131416E-08 0.100000E-04    0.871880E+00
  52   -0.633251E-06    0.174400E+03  0.363102E-08 0.100000E-04    0.938478E+00
  53   -0.124127E-06    0.172351E+03  0.720198E-09 0.100000E-04    0.866002E+00
  54   -0.209659E-06    0.168232E+03  0.124625E-08 0.100000E-04    0.943356E+00
  55    0.813662E-06    0.163203E+03 -0.498558E-08 0.100000E-04    0.988851E+00
  56    0.137468E-05    0.156861E+03 -0.876365E-08 0.100000E-04    0.977129E+00
  57    0.393843E-06    0.154942E+03 -0.254188E-08 0.100000E-04    0.829115E+00
  58    0.913903E-06    0.152245E+03 -0.600285E-08 0.100000E-04    0.995564E+00
  59    0.622662E-06    0.146631E+03 -0.424646E-08 0.100000E-04    0.996771E+00
  60    0.221741E-06    0.143324E+03 -0.154713E-08 0.100000E-04    0.694930E+00
  61   -0.100124E-05    0.138123E+03  0.724886E-08 0.100000E-04    0.815798E+00
  62   -0.960399E-06    0.135873E+03  0.706836E-08 0.100000E-04    0.975907E+00
  63    0.218840E-05    0.130277E+03 -0.167981E-07 0.100000E-04    0.925909E+00
  64    0.206974E-06    0.128852E+03 -0.160629E-08 0.109000E-04    0.187205E+00
  65   -0.136036E-05    0.126910E+03  0.107191E-07 0.100000E-04    0.889263E+00
  66   -0.717522E-06    0.124009E+03  0.578605E-08 0.100000E-04    0.890697E+00
  67   -0.189934E-05    0.120022E+03  0.158250E-07 0.100000E-04    0.966832E+00
  68   -0.463700E-06    0.118175E+03  0.392383E-08 0.100000E-04    0.938250E+00
  69   -0.600457E-07    0.116813E+03  0.514033E-09 0.100000E-04    0.587908E+01
  70    0.136943E-05    0.110377E+03 -0.124068E-07 0.100000E-04    0.951525E+00
  71   -0.744296E-06    0.106817E+03  0.696797E-08 0.100000E-04    0.920759E+00
  72    0.916960E-06    0.104467E+03 -0.877755E-08 0.100000E-04    0.879843E+00
  73   -0.160979E-06    0.102860E+03  0.156504E-08 0.100000E-04    0.719440E+00
  74   -0.370769E-07    0.995084E+02  0.372600E-09 0.100000E-04    0.488666E+00
  75   -0.772798E-07    0.960787E+02  0.804339E-09 0.100000E-04    0.389299E+00
  76    0.181904E-06    0.940902E+02 -0.193329E-08 0.100000E-04    0.864473E+00
  77   -0.149991E-05    0.919450E+02  0.163132E-07 0.100000E-04    0.963241E+00
  78   -0.807061E-06    0.912438E+02  0.884511E-08 0.100000E-04    0.975661E+00
  79   -0.752597E-06    0.883893E+02  0.851456E-08 0.100000E-04    0.988023E+00
  80   -0.581372E-06    0.856265E+02  0.678963E-08 0.100000E-04    0.919847E+00
  81    0.128355E-05    0.808395E+02 -0.158777E-07 0.100000E-04    0.996320E+00
  82   -0.127647E-05    0.805412E+02  0.158487E-07 0.100000E-04    0.938095E+00
  83   -0.193529E-06    0.779438E+02  0.248293E-08 0.100000E-04    0.786698E+00
  84    0.463744E-06    0.732728E+02 -0.632900E-08 0.100000E-04    0.358094E+00
  85    0.220089E-05    0.725228E+02 -0.303476E-07 0.100000E-04    0.892197E+00
  86   -0.584799E-06    0.679000E+02  0.861265E-08 0.100000E-04    0.841969E+00
  87    0.979257E-06    0.647273E+02 -0.151290E-07 0.100000E-04    0.783273E+00
  88   -0.103322E-05    0.613230E+02  0.168488E-07 0.100000E-04    0.956986E+00
  89    0.204917E-05    0.598220E+02 -0.342545E-07 0.100000E-04    0.950446E+00
  90   -0.229641E-05    0.594061E+02  0.386562E-07 0.100000E-04    0.980388E+00
  91   -0.289380E-05    0.581339E+02  0.497782E-07 0.100000E-04    0.931914E+00
  92   -0.375130E-05    0.558612E+02  0.671540E-07 0.100000E-04    0.955538E+00
  93   -0.332665E-05    0.524397E+02  0.634375E-07 0.100000E-04    0.987592E+00
  94   -0.566674E-06    0.520078E+02  0.108959E-07 0.100000E-04    0.851399E+00
  95    0.212646E-05    0.502756E+02 -0.422960E-07 0.100000E-04    0.886111E+00
  96    0.121379E-05    0.461333E+02 -0.263105E-07 0.100000E-04    0.936347E+00
  97   -0.325998E-05    0.433741E+02  0.751598E-07 0.100000E-04    0.888855E+00
  98    0.720469E-06    0.409229E+02 -0.176055E-07 0.100000E-04    0.536745E+00
  99    0.220382E-05    0.378653E+02 -0.582016E-07 0.100000E-04    0.797173E+00
 100    0.166734E-05    0.361877E+02 -0.460749E-07 0.100000E-04    0.895337E+00
 101   -0.112062E-04    0.322463E+02  0.347519E-06 0.100000E-04    0.948512E+00
 102    0.324744E-06    0.289213E+02 -0.112286E-07 0.100000E-04    0.142738E+01
 103   -0.256828E-05    0.284562E+02  0.902537E-07 0.100000E-04    0.963883E+00
 104    0.871454E-06    0.263156E+02 -0.331154E-07 0.100000E-04    0.756897E+00
 105    0.651905E-05    0.233271E+02 -0.279463E-06 0.100000E-04    0.936086E+00
 106    0.513177E-05    0.213412E+02 -0.240464E-06 0.100000E-04    0.970246E+00
 107    0.221775E-04    0.198483E+02 -0.111735E-05 0.100000E-04    0.928847E+00
 108    0.245799E-04    0.164498E+02 -0.149424E-05 0.100000E-04    0.938375E+00
 109    0.546021E-05    0.139122E+02 -0.392477E-06 0.100000E-04    0.958963E+00
 110   -0.103574E-04    0.122445E+02  0.845882E-06 0.100000E-04    0.851636E+00
 111   -0.250248E-05    0.100863E+02  0.248108E-06 0.100000E-04    0.651848E+00
 112    0.305844E-01    0.915263E+01 -0.100000E-04 0.100000E-04    0.596894E+00
 113   -0.101222E+00    0.575762E+01  0.197082E-04 0.197082E-04    0.210751E+00
 114   -0.913792E+00    0.315159E+01 -0.100000E-04 0.100000E-04    0.849429E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1970815106E-04    0.2689704535    

 Beginning of optimization cycle  665.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990550613
 potential> RMS force:                                               0.0861570446   |gradient|=.9199055070    
 Eigenvalues of the Hessian matrix:
   746.90363    673.97868    630.86199    600.58939    586.33637    578.90015 
   564.67036    487.43242    460.53145    459.74018    441.63074    429.45929 
   421.86779    407.84802    396.30319    387.38345    370.05783    360.57793 
   349.30220    335.33586    329.35557    321.81560    319.16537    309.32509 
   300.78283    290.60474    279.08196    272.76289    268.55255    264.97293 
   263.87164    253.18077    241.59215    240.79722    234.05860    227.53844 
   217.17667    214.90031    213.24363    207.70522    202.97429    195.38523 
   194.86332    191.38972    183.00277    174.40086    172.35120    168.23208 
   163.20262    156.86101    154.94204    152.24461    146.63017    143.32388 
   138.12368    135.87304    130.27637    128.85225    126.91035    124.00782 
   120.02219    118.17533    116.81257    110.37730    106.81668    104.46673 
   102.85983     99.50834     96.07850     94.08998     91.94458     91.24402 
    88.38884     85.62680     80.83954     80.54179     77.94361     73.27264 
    72.52225     67.89975     64.72692     61.32260     59.82174     59.40617 
    58.13384     55.86096     52.43965     52.00744     50.27618     46.13291 
    43.37461     40.92306     37.86531     36.18737     32.24594     28.92164 
    28.45625     26.31590     23.32698     21.34142     19.84817     16.44968 
    13.91223     12.24453     10.08620      9.15408      5.75778      3.15128 
overlap for current and previous eigenvector    109 is        -0.9999999897
overlap for current and previous eigenvector    110 is        -0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999628
overlap for current and previous eigenvector    112 is        -0.9999999332
overlap for current and previous eigenvector    113 is         0.9999999418
overlap for current and previous eigenvector    114 is         0.9999999703
J1,K1,R1,R2,RAT=   7   7   -0.1185181052E-01     2.011841838        0.9881481895    
FOB,PFOB,DIAG,PSTEP=   -0.1743489518E-06   -0.1723067941E-06     746.9036316        0.2306959639E-09
J1,K1,R1,R2,RAT=   8   8    0.4832639404E-01     1.951677158        0.9516736060    
FOB,PFOB,DIAG,PSTEP=   -0.3997888508E-06   -0.4200902623E-06     673.9786826        0.6232979277E-09
J1,K1,R1,R2,RAT=   9   9    0.5293869384E-01     1.947052309        0.9470523093    
FOB,PFOB,DIAG,PSTEP=   -0.7039919088E-06   -0.7433437321E-06     630.8619949        0.1178303784E-08
J1,K1,R1,R2,RAT=  10  10    0.5520927912         1.447914697        0.4479072088    
FOB,PFOB,DIAG,PSTEP=   -0.2214306210E-07   -0.4943648923E-07     600.5893907        0.8231298271E-10
J1,K1,R1,R2,RAT=  11  11    0.4226899820         1.577311609        0.5773100180    
FOB,PFOB,DIAG,PSTEP=    0.4390465037E-08    0.7605034285E-08     586.3363733       -0.1297041866E-10
J1,K1,R1,R2,RAT= 109 109     1.955713053        0.4427854275E-01    0.9557130528    
FOB,PFOB,DIAG,PSTEP=   -0.5218443406E-05    0.5460214776E-05     13.91223436       -0.3924774109E-06
J1,K1,R1,R2,RAT= 110 110     1.846324301        0.1536721590        0.8463243009    
FOB,PFOB,DIAG,PSTEP=    0.8765756229E-05   -0.1035740362E-04     12.24452631        0.8458817999E-06
J1,K1,R1,R2,RAT= 111 111     1.748307915        0.2517049765        0.7482950235    
FOB,PFOB,DIAG,PSTEP=    0.1872597982E-05   -0.2502480790E-05     10.08619852        0.2481078133E-06
J1,K1,R1,R2,RAT= 112 112     667.7759019        0.4385554736        0.5614445264    
FOB,PFOB,DIAG,PSTEP=   -0.3054428681E-01    0.3058443252E-01     9.154076862       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8494397446         1784.881029        0.1505602554    
FOB,PFOB,DIAG,PSTEP=   -0.1013180778       -0.1012216875         5.757781056        0.1970815106E-04
J1,K1,R1,R2,RAT= 114 114    0.2076935105        -57995.13949        0.7923064895    
FOB,PFOB,DIAG,PSTEP=   -0.9137985742       -0.9137920292         3.151282365       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03054     -0.10132     -0.91380 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3811531864
 Log product of positive Hessian eigenvalues =          519.0760481147
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1512823650
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000061
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000059
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=        0.0000000154
 Unscaled step for mode   64=       -0.0000000007
 Unscaled step for mode   65=       -0.0000000095
 Unscaled step for mode   66=        0.0000000051
 Unscaled step for mode   67=       -0.0000000152
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=       -0.0000000117
 Unscaled step for mode   71=       -0.0000000064
 Unscaled step for mode   72=       -0.0000000102
 Unscaled step for mode   73=        0.0000000012
 Unscaled step for mode   74=        0.0000000008
 Unscaled step for mode   75=       -0.0000000023
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=        0.0000000085
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000062
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000147
 Unscaled step for mode   83=       -0.0000000033
 Unscaled step for mode   84=       -0.0000000034
 Unscaled step for mode   85=       -0.0000000269
 Unscaled step for mode   86=       -0.0000000072
 Unscaled step for mode   87=       -0.0000000118
 Unscaled step for mode   88=       -0.0000000176
 Unscaled step for mode   89=       -0.0000000324
 Unscaled step for mode   90=       -0.0000000377
 Unscaled step for mode   91=        0.0000000456
 Unscaled step for mode   92=       -0.0000000635
 Unscaled step for mode   93=       -0.0000000622
 Unscaled step for mode   94=       -0.0000000130
 Unscaled step for mode   95=        0.0000000373
 Unscaled step for mode   96=        0.0000000241
 Unscaled step for mode   97=       -0.0000000661
 Unscaled step for mode   98=        0.0000000113
 Unscaled step for mode   99=        0.0000000466
 Unscaled step for mode  100=        0.0000000408
 Unscaled step for mode  101=        0.0000003256
 Unscaled step for mode  102=       -0.0000000014
 Unscaled step for mode  103=       -0.0000000866
 Unscaled step for mode  104=       -0.0000000469
 Unscaled step for mode  105=       -0.0000002586
 Unscaled step for mode  106=        0.0000002315
 Unscaled step for mode  107=        0.0000010252
 Unscaled step for mode  108=       -0.0000013864
 Unscaled step for mode  109=        0.0000003751
 Unscaled step for mode  110=       -0.0000007159
 Unscaled step for mode  111=       -0.0000001857
 Unscaled step for mode  112=        0.0033366496
 Unscaled step for mode  113=        0.0175912776
 Unscaled step for mode  114=       -0.2689945756
 Largest modulus ratio of non-zero e/values=           237.0157749    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.716983E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.136436E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.507623E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.430049E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.518637E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.400542E-14    0.974317E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174349E-06    0.746904E+03  0.233429E-09 0.100000E-04    0.988148E+00
   8   -0.399789E-06    0.673979E+03  0.593177E-09 0.100000E-04    0.951674E+00
   9   -0.703992E-06    0.630862E+03  0.111592E-08 0.100000E-04    0.947052E+00
  10   -0.221431E-07    0.600589E+03  0.368689E-10 0.100000E-04    0.447907E+00
  11    0.439047E-08    0.586336E+03 -0.748796E-11 0.100000E-04    0.577310E+00
  12   -0.100448E-05    0.578900E+03  0.173516E-08 0.100000E-04    0.943935E+00
  13    0.500078E-07    0.564670E+03 -0.885611E-10 0.100000E-04    0.912904E+00
  14    0.415918E-06    0.487432E+03 -0.853283E-09 0.100000E-04    0.933086E+00
  15   -0.425320E-06    0.460531E+03  0.923542E-09 0.100000E-04    0.939607E+00
  16   -0.116235E-06    0.459740E+03  0.252827E-09 0.100000E-04    0.811785E+00
  17   -0.572688E-06    0.441631E+03  0.129676E-08 0.100000E-04    0.908940E+00
  18   -0.396757E-06    0.429459E+03  0.923852E-09 0.100000E-04    0.932636E+00
  19   -0.165198E-06    0.421868E+03  0.391586E-09 0.100000E-04    0.691777E+00
  20   -0.357925E-06    0.407848E+03  0.877595E-09 0.100000E-04    0.923561E+00
  21   -0.410618E-06    0.396303E+03  0.103612E-08 0.100000E-04    0.919948E+00
  22   -0.631708E-06    0.387383E+03  0.163070E-08 0.100000E-04    0.991881E+00
  23    0.775406E-06    0.370058E+03 -0.209536E-08 0.100000E-04    0.924066E+00
  24   -0.424271E-06    0.360578E+03  0.117664E-08 0.100000E-04    0.979571E+00
  25   -0.982846E-07    0.349302E+03  0.281374E-09 0.100000E-04    0.339530E+00
  26   -0.729883E-07    0.335336E+03  0.217657E-09 0.100000E-04    0.322510E+01
  27    0.354329E-06    0.329356E+03 -0.107583E-08 0.100000E-04    0.888747E+00
  28   -0.375707E-06    0.321816E+03  0.116746E-08 0.100000E-04    0.895024E+00
  29   -0.568967E-07    0.319165E+03  0.178267E-09 0.100000E-04    0.433683E+00
  30   -0.135089E-05    0.309325E+03  0.436721E-08 0.100000E-04    0.959734E+00
  31   -0.102757E-05    0.300783E+03  0.341632E-08 0.100000E-04    0.955658E+00
  32   -0.123155E-05    0.290605E+03  0.423789E-08 0.100000E-04    0.968747E+00
  33   -0.994577E-08    0.279082E+03  0.356374E-10 0.109000E-04    0.162952E+00
  34   -0.604331E-07    0.272763E+03  0.221559E-09 0.100000E-04    0.660465E+01
  35    0.100904E-05    0.268553E+03 -0.375734E-08 0.100000E-04    0.968962E+00
  36    0.123236E-05    0.264973E+03 -0.465090E-08 0.100000E-04    0.983966E+00
  37   -0.478924E-06    0.263872E+03  0.181499E-08 0.100000E-04    0.897236E+00
  38   -0.137444E-06    0.253181E+03  0.542871E-09 0.100000E-04    0.971341E+00
  39   -0.432332E-06    0.241592E+03  0.178951E-08 0.100000E-04    0.889065E+00
  40   -0.122629E-05    0.240797E+03  0.509261E-08 0.100000E-04    0.986187E+00
  41   -0.987969E-06    0.234059E+03  0.422103E-08 0.100000E-04    0.989669E+00
  42   -0.167126E-05    0.227538E+03  0.734497E-08 0.100000E-04    0.963317E+00
  43   -0.912623E-09    0.217177E+03  0.420221E-11 0.100000E-04    0.274542E+00
  44   -0.192130E-05    0.214900E+03  0.894040E-08 0.100000E-04    0.968375E+00
  45    0.721890E-06    0.213244E+03 -0.338528E-08 0.100000E-04    0.982774E+00
  46    0.106374E-05    0.207705E+03 -0.512138E-08 0.100000E-04    0.984542E+00
  47   -0.731697E-06    0.202974E+03  0.360488E-08 0.100000E-04    0.966356E+00
  48   -0.117400E-05    0.195385E+03  0.600862E-08 0.100000E-04    0.926040E+00
  49    0.941474E-06    0.194863E+03 -0.483146E-08 0.100000E-04    0.948440E+00
  50    0.116936E-05    0.191390E+03 -0.610984E-08 0.100000E-04    0.876275E+00
  51    0.207123E-06    0.183003E+03 -0.113180E-08 0.100000E-04    0.861231E+00
  52   -0.587289E-06    0.174401E+03  0.336747E-08 0.100000E-04    0.927412E+00
  53   -0.147747E-06    0.172351E+03  0.857242E-09 0.100000E-04    0.809712E+00
  54   -0.223708E-06    0.168232E+03  0.132976E-08 0.100000E-04    0.932989E+00
  55   -0.819408E-06    0.163203E+03  0.502080E-08 0.100000E-04    0.992937E+00
  56    0.133735E-05    0.156861E+03 -0.852573E-08 0.100000E-04    0.972851E+00
  57   -0.327837E-06    0.154942E+03  0.211587E-08 0.100000E-04    0.832401E+00
  58   -0.914949E-06    0.152245E+03  0.600973E-08 0.100000E-04    0.998856E+00
  59   -0.622517E-06    0.146630E+03  0.424549E-08 0.100000E-04    0.999767E+00
  60    0.162193E-06    0.143324E+03 -0.113165E-08 0.100000E-04    0.731448E+00
  61   -0.816238E-06    0.138124E+03  0.590947E-08 0.100000E-04    0.815224E+00
  62    0.930545E-06    0.135873E+03 -0.684864E-08 0.100000E-04    0.968915E+00
  63   -0.200410E-05    0.130276E+03  0.153835E-07 0.100000E-04    0.915782E+00
  64    0.942756E-07    0.128852E+03 -0.731657E-09 0.100000E-04    0.455494E+00
  65    0.120081E-05    0.126910E+03 -0.946187E-08 0.100000E-04    0.882711E+00
  66   -0.635786E-06    0.124008E+03  0.512698E-08 0.100000E-04    0.886085E+00
  67    0.182376E-05    0.120022E+03 -0.151952E-07 0.100000E-04    0.960204E+00
  68    0.431350E-06    0.118175E+03 -0.365009E-08 0.100000E-04    0.930234E+00
  69    0.223887E-08    0.116813E+03 -0.191664E-10 0.109000E-04    0.372829E-01
  70    0.129245E-05    0.110377E+03 -0.117094E-07 0.100000E-04    0.943783E+00
  71    0.679253E-06    0.106817E+03 -0.635905E-08 0.100000E-04    0.912611E+00
  72    0.106638E-05    0.104467E+03 -0.102078E-07 0.100000E-04    0.837050E+00
  73   -0.118383E-06    0.102860E+03  0.115092E-08 0.100000E-04    0.735393E+00
  74   -0.805342E-07    0.995083E+02  0.809321E-09 0.109000E-04    0.172090E+00
  75    0.218032E-06    0.960785E+02 -0.226931E-08 0.100000E-04    0.821331E+00
  76    0.154306E-06    0.940900E+02 -0.163999E-08 0.100000E-04    0.848283E+00
  77   -0.156457E-05    0.919446E+02  0.170165E-07 0.100000E-04    0.956891E+00
  78   -0.779726E-06    0.912440E+02  0.854550E-08 0.100000E-04    0.966126E+00
  79   -0.738439E-06    0.883888E+02  0.835444E-08 0.100000E-04    0.981188E+00
  80   -0.531522E-06    0.856268E+02  0.620743E-08 0.100000E-04    0.914248E+00
  81    0.127413E-05    0.808395E+02 -0.157612E-07 0.100000E-04    0.992661E+00
  82   -0.118626E-05    0.805418E+02  0.147284E-07 0.100000E-04    0.929310E+00
  83    0.255024E-06    0.779436E+02 -0.327190E-08 0.100000E-04    0.682248E+00
  84    0.247583E-06    0.732726E+02 -0.337892E-08 0.100000E-04    0.533876E+00
  85    0.195185E-05    0.725222E+02 -0.269138E-07 0.100000E-04    0.886845E+00
  86    0.487706E-06    0.678997E+02 -0.718274E-08 0.100000E-04    0.833971E+00
  87    0.765970E-06    0.647269E+02 -0.118339E-07 0.100000E-04    0.782194E+00
  88    0.108033E-05    0.613226E+02 -0.176171E-07 0.100000E-04    0.954403E+00
  89    0.193554E-05    0.598217E+02 -0.323551E-07 0.100000E-04    0.944546E+00
  90    0.223790E-05    0.594062E+02 -0.376712E-07 0.100000E-04    0.974519E+00
  91   -0.264810E-05    0.581338E+02  0.455518E-07 0.100000E-04    0.915095E+00
  92    0.354782E-05    0.558610E+02 -0.635117E-07 0.100000E-04    0.945758E+00
  93    0.326371E-05    0.524396E+02 -0.622375E-07 0.100000E-04    0.981083E+00
  94    0.675741E-06    0.520074E+02 -0.129932E-07 0.100000E-04    0.807530E+00
  95   -0.187738E-05    0.502762E+02  0.373412E-07 0.100000E-04    0.882843E+00
  96   -0.111177E-05    0.461329E+02  0.240993E-07 0.100000E-04    0.915951E+00
  97    0.286724E-05    0.433746E+02 -0.661042E-07 0.100000E-04    0.879503E+00
  98   -0.460579E-06    0.409231E+02  0.112547E-07 0.100000E-04    0.639272E+00
  99   -0.176639E-05    0.378653E+02  0.466494E-07 0.100000E-04    0.801513E+00
 100   -0.147803E-05    0.361874E+02  0.408437E-07 0.100000E-04    0.886456E+00
 101   -0.104985E-04    0.322459E+02  0.325576E-06 0.100000E-04    0.936846E+00
 102    0.415306E-07    0.289216E+02 -0.143597E-08 0.109000E-04    0.127874E+00
 103    0.246382E-05    0.284562E+02 -0.865829E-07 0.100000E-04    0.959326E+00
 104    0.123504E-05    0.263159E+02 -0.469314E-07 0.100000E-04    0.582783E+00
 105    0.603206E-05    0.233270E+02 -0.258587E-06 0.100000E-04    0.925297E+00
 106   -0.494090E-05    0.213414E+02  0.231517E-06 0.100000E-04    0.962782E+00
 107   -0.203476E-04    0.198482E+02  0.102516E-05 0.100000E-04    0.917488E+00
 108    0.228056E-04    0.164497E+02 -0.138639E-05 0.100000E-04    0.927816E+00
 109   -0.521844E-05    0.139122E+02  0.375097E-06 0.100000E-04    0.955713E+00
 110    0.876576E-05    0.122445E+02 -0.715892E-06 0.100000E-04    0.846324E+00
 111    0.187260E-05    0.100862E+02 -0.185659E-06 0.100000E-04    0.748295E+00
 112   -0.305443E-01    0.915408E+01  0.100000E-04 0.100000E-04    0.561445E+00
 113   -0.101318E+00    0.575778E+01  0.214819E-04 0.214819E-04    0.150560E+00
 114   -0.913799E+00    0.315128E+01 -0.100000E-04 0.100000E-04    0.792306E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2148188465E-04    0.2689945756    

 Beginning of optimization cycle  666.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990484034
 potential> RMS force:                                               0.0861584160   |gradient|=.9199201498    
 Eigenvalues of the Hessian matrix:
   746.90743    673.97728    630.86492    600.58717    586.33584    578.90027 
   564.66626    487.43202    460.53016    459.73965    441.63017    429.46062 
   421.86715    407.84638    396.30261    387.38203    370.05830    360.57811 
   349.30151    335.33651    329.35644    321.81533    319.16608    309.32394 
   300.78228    290.60482    279.08347    272.76336    268.55284    264.97325 
   263.87225    253.18020    241.59253    240.79756    234.05940    227.53878 
   217.17744    214.90044    213.24335    207.70572    202.97388    195.38443 
   194.86371    191.39018    183.00353    174.40161    172.35145    168.23236 
   163.20230    156.86079    154.94256    152.24442    146.62958    143.32347 
   138.12421    135.87304    130.27612    128.85246    126.91055    124.00669 
   120.02237    118.17546    116.81213    110.37754    106.81652    104.46694 
   102.85991     99.50827     96.07830     94.08975     91.94419     91.24424 
    88.38833     85.62710     80.83963     80.54247     77.94338     73.27242 
    72.52166     67.89943     64.72648     61.32217     59.82147     59.40626 
    58.13379     55.86072     52.43954     52.00706     50.27677     46.13248 
    43.37518     40.92317     37.86526     36.18699     32.24557     28.92198 
    28.45631     26.31619     23.32689     21.34166     19.84809     16.44958 
    13.91229     12.24455     10.08614      9.15561      5.75795      3.15097 
overlap for current and previous eigenvector    109 is         0.9999999883
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999564
overlap for current and previous eigenvector    112 is         0.9999999238
overlap for current and previous eigenvector    113 is         0.9999999357
overlap for current and previous eigenvector    114 is         0.9999999668
J1,K1,R1,R2,RAT=   7   7    0.4424054138E-02     1.995565763        0.9955657627    
FOB,PFOB,DIAG,PSTEP=   -0.1735776186E-06   -0.1743489518E-06     746.9074345        0.2334289785E-09
J1,K1,R1,R2,RAT=   8   8   -0.4159679387E-01     2.041600945        0.9584032061    
FOB,PFOB,DIAG,PSTEP=   -0.4164187507E-06   -0.3997888508E-06     673.9772838        0.5931772934E-09
J1,K1,R1,R2,RAT=   9   9   -0.4518073315E-01     2.045171464        0.9548192669    
FOB,PFOB,DIAG,PSTEP=   -0.7357989268E-06   -0.7039919088E-06     630.8649188        0.1115920621E-08
J1,K1,R1,R2,RAT=  10  10    -1.045621309         3.045628714        0.4562130943E-01
FOB,PFOB,DIAG,PSTEP=   -0.4529623397E-07   -0.2214306210E-07     600.5871673        0.3686888653E-10
J1,K1,R1,R2,RAT=  11  11   -0.3737727409         2.373774544        0.6262272591    
FOB,PFOB,DIAG,PSTEP=    0.6031499708E-08    0.4390465037E-08     586.3358447       -0.7487962944E-11
J1,K1,R1,R2,RAT= 109 109   -0.4035272057E-01     2.040344143        0.9596472794    
FOB,PFOB,DIAG,PSTEP=   -0.5429022698E-05   -0.5218443406E-05     13.91229403        0.3750974338E-06
J1,K1,R1,R2,RAT= 110 110   -0.1499374822         2.149933888        0.8500625178    
FOB,PFOB,DIAG,PSTEP=    0.1008007401E-04    0.8765756229E-05     12.24454832       -0.7158918202E-06
J1,K1,R1,R2,RAT= 111 111   -0.3407222867         2.340734557        0.6592777133    
FOB,PFOB,DIAG,PSTEP=    0.2510629933E-05    0.1872597982E-05     10.08613664       -0.1856594413E-06
J1,K1,R1,R2,RAT= 112 112    0.4099682276         666.8158564        0.5900317724    
FOB,PFOB,DIAG,PSTEP=   -0.3050675173E-01   -0.3054428681E-01     9.155606898        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7941093798         1639.029595        0.2058906202    
FOB,PFOB,DIAG,PSTEP=   -0.1014163026       -0.1013180778         5.757954496        0.2148188465E-04
J1,K1,R1,R2,RAT= 114 114    0.1618069535        -58001.30110        0.8381930465    
FOB,PFOB,DIAG,PSTEP=   -0.9138036727       -0.9137985742         3.150967672       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03051     -0.10142     -0.91380 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3811324714
 Log product of positive Hessian eigenvalues =          519.0761166115
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1509676719
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000070
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=        0.0000000165
 Unscaled step for mode   64=       -0.0000000014
 Unscaled step for mode   65=       -0.0000000105
 Unscaled step for mode   66=        0.0000000057
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=       -0.0000000069
 Unscaled step for mode   72=       -0.0000000090
 Unscaled step for mode   73=        0.0000000015
 Unscaled step for mode   74=        0.0000000004
 Unscaled step for mode   75=       -0.0000000010
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=        0.0000000088
 Unscaled step for mode   79=        0.0000000085
 Unscaled step for mode   80=        0.0000000067
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000156
 Unscaled step for mode   83=       -0.0000000026
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000298
 Unscaled step for mode   86=       -0.0000000083
 Unscaled step for mode   87=       -0.0000000145
 Unscaled step for mode   88=       -0.0000000169
 Unscaled step for mode   89=       -0.0000000339
 Unscaled step for mode   90=       -0.0000000384
 Unscaled step for mode   91=        0.0000000487
 Unscaled step for mode   92=       -0.0000000663
 Unscaled step for mode   93=       -0.0000000630
 Unscaled step for mode   94=       -0.0000000111
 Unscaled step for mode   95=        0.0000000416
 Unscaled step for mode   96=        0.0000000256
 Unscaled step for mode   97=       -0.0000000735
 Unscaled step for mode   98=        0.0000000167
 Unscaled step for mode   99=        0.0000000563
 Unscaled step for mode  100=        0.0000000451
 Unscaled step for mode  101=        0.0000003423
 Unscaled step for mode  102=       -0.0000000093
 Unscaled step for mode  103=       -0.0000000897
 Unscaled step for mode  104=       -0.0000000365
 Unscaled step for mode  105=       -0.0000002751
 Unscaled step for mode  106=        0.0000002383
 Unscaled step for mode  107=        0.0000010981
 Unscaled step for mode  108=       -0.0000014716
 Unscaled step for mode  109=        0.0000003902
 Unscaled step for mode  110=       -0.0000008232
 Unscaled step for mode  111=       -0.0000002489
 Unscaled step for mode  112=        0.0033319924
 Unscaled step for mode  113=        0.0176077911
 Unscaled step for mode  114=       -0.2690191130
 Largest modulus ratio of non-zero e/values=           237.0406530    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.143071E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.233299E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.908034E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.604145E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.409503E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.462450E-14    0.974317E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173578E-06    0.746907E+03  0.232395E-09 0.100000E-04    0.995566E+00
   8   -0.416419E-06    0.673977E+03  0.617853E-09 0.100000E-04    0.958403E+00
   9   -0.735799E-06    0.630865E+03  0.116633E-08 0.100000E-04    0.954819E+00
  10   -0.452962E-07    0.600587E+03  0.754199E-10 0.109000E-04    0.456213E-01
  11    0.603150E-08    0.586336E+03 -0.102868E-10 0.100000E-04    0.626227E+00
  12   -0.105366E-05    0.578900E+03  0.182011E-08 0.100000E-04    0.951042E+00
  13    0.464400E-07    0.564666E+03 -0.822433E-10 0.100000E-04    0.928654E+00
  14    0.441322E-06    0.487432E+03 -0.905403E-09 0.100000E-04    0.938919E+00
  15   -0.447485E-06    0.460530E+03  0.971673E-09 0.100000E-04    0.947887E+00
  16   -0.138404E-06    0.459740E+03  0.301048E-09 0.100000E-04    0.809271E+00
  17   -0.620642E-06    0.441630E+03  0.140534E-08 0.100000E-04    0.916265E+00
  18   -0.419745E-06    0.429461E+03  0.977376E-09 0.100000E-04    0.942061E+00
  19   -0.132529E-06    0.421867E+03  0.314148E-09 0.100000E-04    0.802243E+00
  20   -0.382084E-06    0.407846E+03  0.936832E-09 0.100000E-04    0.932504E+00
  21   -0.440037E-06    0.396303E+03  0.111036E-08 0.100000E-04    0.928353E+00
  22   -0.634420E-06    0.387382E+03  0.163771E-08 0.100000E-04    0.995706E+00
  23    0.828111E-06    0.370058E+03 -0.223779E-08 0.100000E-04    0.932029E+00
  24   -0.431078E-06    0.360578E+03  0.119552E-08 0.100000E-04    0.983957E+00
  25   -0.649926E-07    0.349302E+03  0.186065E-09 0.100000E-04    0.661269E+00
  26   -0.255448E-07    0.335337E+03  0.761765E-10 0.100000E-04    0.349982E+00
  27    0.389755E-06    0.329356E+03 -0.118338E-08 0.100000E-04    0.900021E+00
  28   -0.410695E-06    0.321815E+03  0.127618E-08 0.100000E-04    0.906873E+00
  29   -0.114627E-06    0.319166E+03  0.359146E-09 0.109000E-04    0.146542E-01
  30   -0.139184E-05    0.309324E+03  0.449962E-08 0.100000E-04    0.969683E+00
  31   -0.106580E-05    0.300782E+03  0.354343E-08 0.100000E-04    0.962794E+00
  32   -0.126169E-05    0.290605E+03  0.434159E-08 0.100000E-04    0.975531E+00
  33   -0.516113E-07    0.279083E+03  0.184932E-09 0.100000E-04    0.318925E+01
  34   -0.177239E-07    0.272763E+03  0.649791E-10 0.100000E-04    0.293280E+00
  35    0.103256E-05    0.268553E+03 -0.384491E-08 0.100000E-04    0.976695E+00
  36    0.124723E-05    0.264973E+03 -0.470699E-08 0.100000E-04    0.987939E+00
  37   -0.524648E-06    0.263872E+03  0.198827E-08 0.100000E-04    0.904528E+00
  38   -0.133914E-06    0.253180E+03  0.528928E-09 0.100000E-04    0.974313E+00
  39   -0.398870E-06    0.241593E+03  0.165100E-08 0.100000E-04    0.922598E+00
  40   -0.123843E-05    0.240798E+03  0.514304E-08 0.100000E-04    0.990096E+00
  41   -0.979983E-06    0.234059E+03  0.418690E-08 0.100000E-04    0.991910E+00
  42   -0.171781E-05    0.227539E+03  0.754953E-08 0.100000E-04    0.972148E+00
  43   -0.151779E-08    0.217177E+03  0.698869E-11 0.100000E-04    0.336898E+00
  44   -0.197073E-05    0.214900E+03  0.917043E-08 0.100000E-04    0.974270E+00
  45    0.709504E-06    0.213243E+03 -0.332720E-08 0.100000E-04    0.982843E+00
  46    0.107865E-05    0.207706E+03 -0.519316E-08 0.100000E-04    0.985982E+00
  47   -0.752952E-06    0.202974E+03  0.370960E-08 0.100000E-04    0.970950E+00
  48   -0.124716E-05    0.195384E+03  0.638308E-08 0.100000E-04    0.937683E+00
  49    0.984513E-06    0.194864E+03 -0.505232E-08 0.100000E-04    0.954286E+00
  50    0.130338E-05    0.191390E+03 -0.681009E-08 0.100000E-04    0.885386E+00
  51    0.233954E-06    0.183004E+03 -0.127841E-08 0.100000E-04    0.870459E+00
  52   -0.623340E-06    0.174402E+03  0.357417E-08 0.100000E-04    0.938615E+00
  53   -0.128892E-06    0.172351E+03  0.747842E-09 0.100000E-04    0.872380E+00
  54   -0.211329E-06    0.168232E+03  0.125617E-08 0.100000E-04    0.944659E+00
  55   -0.810278E-06    0.163202E+03  0.496487E-08 0.100000E-04    0.988857E+00
  56    0.136747E-05    0.156861E+03 -0.871776E-08 0.100000E-04    0.977478E+00
  57   -0.384289E-06    0.154943E+03  0.248020E-08 0.100000E-04    0.827808E+00
  58   -0.910884E-06    0.152244E+03  0.598304E-08 0.100000E-04    0.995558E+00
  59   -0.620470E-06    0.146630E+03  0.423154E-08 0.100000E-04    0.996711E+00
  60    0.213127E-06    0.143323E+03 -0.148704E-08 0.100000E-04    0.685960E+00
  61   -0.969239E-06    0.138124E+03  0.701716E-08 0.100000E-04    0.812554E+00
  62    0.952713E-06    0.135873E+03 -0.701179E-08 0.100000E-04    0.976177E+00
  63   -0.215239E-05    0.130276E+03  0.165218E-07 0.100000E-04    0.926006E+00
  64    0.185540E-06    0.128852E+03 -0.143994E-08 0.109000E-04    0.319409E-01
  65    0.133397E-05    0.126911E+03 -0.105111E-07 0.100000E-04    0.889105E+00
  66   -0.705293E-06    0.124007E+03  0.568754E-08 0.100000E-04    0.890675E+00
  67    0.188355E-05    0.120022E+03 -0.156933E-07 0.100000E-04    0.967219E+00
  68    0.457802E-06    0.118175E+03 -0.387392E-08 0.100000E-04    0.938678E+00
  69    0.537403E-07    0.116812E+03 -0.460058E-09 0.100000E-04    0.220034E+02
  70    0.135455E-05    0.110378E+03 -0.122719E-07 0.100000E-04    0.951956E+00
  71    0.733017E-06    0.106817E+03 -0.686240E-08 0.100000E-04    0.920847E+00
  72    0.943255E-06    0.104467E+03 -0.902922E-08 0.100000E-04    0.884537E+00
  73   -0.152936E-06    0.102860E+03  0.148684E-08 0.100000E-04    0.708131E+00
  74   -0.424200E-07    0.995083E+02  0.426296E-09 0.100000E-04    0.526732E+00
  75    0.988621E-07    0.960783E+02 -0.102897E-08 0.100000E-04    0.453429E+00
  76    0.175498E-06    0.940897E+02 -0.186522E-08 0.100000E-04    0.862663E+00
  77   -0.150824E-05    0.919442E+02  0.164038E-07 0.100000E-04    0.963992E+00
  78   -0.798506E-06    0.912442E+02  0.875130E-08 0.100000E-04    0.975915E+00
  79   -0.747191E-06    0.883883E+02  0.845350E-08 0.100000E-04    0.988148E+00
  80   -0.573978E-06    0.856271E+02  0.670323E-08 0.100000E-04    0.920125E+00
  81    0.127867E-05    0.808396E+02 -0.158173E-07 0.100000E-04    0.996437E+00
  82   -0.125936E-05    0.805425E+02  0.156360E-07 0.100000E-04    0.938376E+00
  83    0.203320E-06    0.779434E+02 -0.260856E-08 0.100000E-04    0.797261E+00
  84    0.425604E-06    0.732724E+02 -0.580851E-08 0.100000E-04    0.280960E+00
  85    0.216232E-05    0.725217E+02 -0.298161E-07 0.100000E-04    0.892171E+00
  86    0.566042E-06    0.678994E+02 -0.833647E-08 0.100000E-04    0.839379E+00
  87    0.937403E-06    0.647265E+02 -0.144825E-07 0.100000E-04    0.776188E+00
  88    0.103440E-05    0.613222E+02 -0.168683E-07 0.100000E-04    0.957485E+00
  89    0.203031E-05    0.598215E+02 -0.339395E-07 0.100000E-04    0.951035E+00
  90    0.228134E-05    0.594063E+02 -0.384024E-07 0.100000E-04    0.980590E+00
  91   -0.282897E-05    0.581338E+02  0.486630E-07 0.100000E-04    0.931701E+00
  92    0.370467E-05    0.558607E+02 -0.663198E-07 0.100000E-04    0.955789E+00
  93    0.330361E-05    0.524395E+02 -0.629985E-07 0.100000E-04    0.987776E+00
  94    0.578364E-06    0.520071E+02 -0.111209E-07 0.100000E-04    0.855895E+00
  95   -0.209100E-05    0.502768E+02  0.415899E-07 0.100000E-04    0.886210E+00
  96   -0.118290E-05    0.461325E+02  0.256413E-07 0.100000E-04    0.936026E+00
  97    0.318727E-05    0.433752E+02 -0.734814E-07 0.100000E-04    0.888387E+00
  98   -0.684790E-06    0.409232E+02  0.167335E-07 0.100000E-04    0.513199E+00
  99   -0.213147E-05    0.378653E+02  0.562909E-07 0.100000E-04    0.793321E+00
 100   -0.163313E-05    0.361870E+02  0.451304E-07 0.100000E-04    0.895058E+00
 101   -0.110371E-04    0.322456E+02  0.342281E-06 0.100000E-04    0.948701E+00
 102    0.267728E-06    0.289220E+02 -0.925690E-08 0.100000E-04    0.444646E+01
 103    0.255168E-05    0.284563E+02 -0.896699E-07 0.100000E-04    0.964344E+00
 104    0.959264E-06    0.263162E+02 -0.364515E-07 0.100000E-04    0.776686E+00
 105    0.641681E-05    0.233269E+02 -0.275082E-06 0.100000E-04    0.936216E+00
 106   -0.508579E-05    0.213417E+02  0.238303E-06 0.100000E-04    0.970676E+00
 107   -0.217947E-04    0.198481E+02  0.109807E-05 0.100000E-04    0.928884E+00
 108    0.242070E-04    0.164496E+02 -0.147159E-05 0.100000E-04    0.938551E+00
 109   -0.542902E-05    0.139123E+02  0.390232E-06 0.100000E-04    0.959647E+00
 110    0.100801E-04    0.122445E+02 -0.823230E-06 0.100000E-04    0.850063E+00
 111    0.251063E-05    0.100861E+02 -0.248919E-06 0.100000E-04    0.659278E+00
 112   -0.305068E-01    0.915561E+01  0.100000E-04 0.100000E-04    0.590032E+00
 113   -0.101416E+00    0.575795E+01  0.193530E-04 0.193530E-04    0.205891E+00
 114   -0.913804E+00    0.315097E+01 -0.100000E-04 0.100000E-04    0.838193E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1935304923E-04    0.2690191130    

 Beginning of optimization cycle  667.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990415315
 potential> RMS force:                                               0.0861599127   |gradient|=.9199361300    
 Eigenvalues of the Hessian matrix:
   746.91113    673.97611    630.86773    600.58492    586.33539    578.90038 
   564.66243    487.43173    460.52891    459.73913    441.62967    429.46177 
   421.86654    407.84485    396.30208    387.38065    370.05875    360.57825 
   349.30078    335.33711    329.35726    321.81512    319.16665    309.32283 
   300.78167    290.60487    279.08485    272.76380    268.55305    264.97355 
   263.87277    253.17960    241.59281    240.79790    234.06011    227.53904 
   217.17811    214.90058    213.24307    207.70618    202.97349    195.38365 
   194.86403    191.39062    183.00421    174.40230    172.35168    168.23261 
   163.20200    156.86057    154.94304    152.24425    146.62903    143.32310 
   138.12470    135.87303    130.27590    128.85265    126.91075    124.00564 
   120.02255    118.17559    116.81174    110.37777    106.81638    104.46716 
   102.85999     99.50821     96.07812     94.08954     91.94378     91.24443 
    88.38784     85.62738     80.83971     80.54310     77.94317     73.27224 
    72.52114     67.89916     64.72606     61.32174     59.82121     59.40636 
    58.13377     55.86052     52.43945     52.00672     50.27733     46.13209 
    43.37572     40.92328     37.86523     36.18671     32.24521     28.92230 
    28.45636     26.31646     23.32678     21.34191     19.84798     16.44948 
    13.91235     12.24457     10.08607      9.15704      5.75811      3.15067 
overlap for current and previous eigenvector    109 is         0.9999999899
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999634
overlap for current and previous eigenvector    112 is         0.9999999345
overlap for current and previous eigenvector    113 is         0.9999999433
overlap for current and previous eigenvector    114 is         0.9999999712
J1,K1,R1,R2,RAT=   7   7   -0.1166268085E-01     2.011652797        0.9883373191    
FOB,PFOB,DIAG,PSTEP=   -0.1756020090E-06   -0.1735776186E-06     746.9111258        0.2323950876E-09
J1,K1,R1,R2,RAT=   8   8    0.4786550072E-01     1.952137974        0.9521344993    
FOB,PFOB,DIAG,PSTEP=   -0.3964866933E-06   -0.4164187507E-06     673.9761128        0.6178527981E-09
J1,K1,R1,R2,RAT=   9   9    0.5245262402E-01     1.947538462        0.9475384624    
FOB,PFOB,DIAG,PSTEP=   -0.6972041703E-06   -0.7357989268E-06     630.8677304        0.1166333560E-08
J1,K1,R1,R2,RAT=  10  10    0.5925694562         1.407438015        0.4074305438    
FOB,PFOB,DIAG,PSTEP=   -0.1845516951E-07   -0.4529623397E-07     600.5849237        0.7541991643E-10
J1,K1,R1,R2,RAT=  11  11    0.5181796049         1.481821940        0.4818203951    
FOB,PFOB,DIAG,PSTEP=    0.2906101987E-08    0.6031499708E-08     586.3353917       -0.1028676613E-10
J1,K1,R1,R2,RAT= 109 109    0.4355284722E-01     1.956438734        0.9564387339    
FOB,PFOB,DIAG,PSTEP=   -0.5192572307E-05   -0.5429022698E-05     13.91235259        0.3902320269E-06
J1,K1,R1,R2,RAT= 110 110    0.1550969314         1.844899430        0.8448994300    
FOB,PFOB,DIAG,PSTEP=    0.8516682618E-05    0.1008007401E-04     12.24457059       -0.8232295507E-06
J1,K1,R1,R2,RAT= 111 111    0.2480146120         1.751998184        0.7519853880    
FOB,PFOB,DIAG,PSTEP=    0.1887961008E-05    0.2510629933E-05     10.08607211       -0.2489188897E-06
J1,K1,R1,R2,RAT= 112 112    0.4447413473         665.8566488        0.5552586527    
FOB,PFOB,DIAG,PSTEP=   -0.3046602658E-01   -0.3050675173E-01     9.157042799        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8549526886         1821.010740        0.1450473114    
FOB,PFOB,DIAG,PSTEP=   -0.1015115759       -0.1014163026         5.758108000        0.1935304923E-04
J1,K1,R1,R2,RAT= 114 114    0.2179682142        -58007.25172        0.7820317858    
FOB,PFOB,DIAG,PSTEP=   -0.9138105401       -0.9138036727         3.150665061       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000      0.00000      0.00001     -0.00000     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03047     -0.10151     -0.91381 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3811100891
 Log product of positive Hessian eigenvalues =          519.0761798611
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1506650608
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000060
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000057
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=        0.0000000151
 Unscaled step for mode   64=       -0.0000000006
 Unscaled step for mode   65=       -0.0000000093
 Unscaled step for mode   66=        0.0000000050
 Unscaled step for mode   67=       -0.0000000151
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000116
 Unscaled step for mode   71=       -0.0000000063
 Unscaled step for mode   72=       -0.0000000104
 Unscaled step for mode   73=        0.0000000011
 Unscaled step for mode   74=        0.0000000009
 Unscaled step for mode   75=       -0.0000000025
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=       -0.0000000171
 Unscaled step for mode   78=        0.0000000085
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000061
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000145
 Unscaled step for mode   83=       -0.0000000034
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000264
 Unscaled step for mode   86=       -0.0000000069
 Unscaled step for mode   87=       -0.0000000112
 Unscaled step for mode   88=       -0.0000000176
 Unscaled step for mode   89=       -0.0000000321
 Unscaled step for mode   90=       -0.0000000374
 Unscaled step for mode   91=        0.0000000445
 Unscaled step for mode   92=       -0.0000000627
 Unscaled step for mode   93=       -0.0000000618
 Unscaled step for mode   94=       -0.0000000132
 Unscaled step for mode   95=        0.0000000367
 Unscaled step for mode   96=        0.0000000235
 Unscaled step for mode   97=       -0.0000000646
 Unscaled step for mode   98=        0.0000000105
 Unscaled step for mode   99=        0.0000000449
 Unscaled step for mode  100=        0.0000000400
 Unscaled step for mode  101=        0.0000003207
 Unscaled step for mode  102=        0.0000000004
 Unscaled step for mode  103=       -0.0000000861
 Unscaled step for mode  104=       -0.0000000501
 Unscaled step for mode  105=       -0.0000002546
 Unscaled step for mode  106=        0.0000002296
 Unscaled step for mode  107=        0.0000010075
 Unscaled step for mode  108=       -0.0000013656
 Unscaled step for mode  109=        0.0000003732
 Unscaled step for mode  110=       -0.0000006955
 Unscaled step for mode  111=       -0.0000001872
 Unscaled step for mode  112=        0.0033270227
 Unscaled step for mode  113=        0.0176238526
 Unscaled step for mode  114=       -0.2690432125
 Largest modulus ratio of non-zero e/values=           237.0645916    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.119219E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.178400E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.376869E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.661255E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.314307E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.410432E-14    0.974318E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175602E-06    0.746911E+03  0.235104E-09 0.100000E-04    0.988337E+00
   8   -0.396487E-06    0.673976E+03  0.588280E-09 0.100000E-04    0.952134E+00
   9   -0.697204E-06    0.630868E+03  0.110515E-08 0.100000E-04    0.947538E+00
  10   -0.184552E-07    0.600585E+03  0.307287E-10 0.100000E-04    0.407431E+00
  11    0.290610E-08    0.586335E+03 -0.495638E-11 0.100000E-04    0.481820E+00
  12   -0.995130E-06    0.578900E+03  0.171900E-08 0.100000E-04    0.944448E+00
  13    0.503896E-07    0.564662E+03 -0.892385E-10 0.100000E-04    0.914951E+00
  14    0.412051E-06    0.487432E+03 -0.845352E-09 0.100000E-04    0.933674E+00
  15   -0.420644E-06    0.460529E+03  0.913393E-09 0.100000E-04    0.940018E+00
  16   -0.111927E-06    0.459739E+03  0.243458E-09 0.100000E-04    0.808700E+00
  17   -0.564298E-06    0.441630E+03  0.127776E-08 0.100000E-04    0.909216E+00
  18   -0.391618E-06    0.429462E+03  0.911881E-09 0.100000E-04    0.932986E+00
  19   -0.170812E-06    0.421867E+03  0.404895E-09 0.100000E-04    0.711134E+00
  20   -0.353018E-06    0.407845E+03  0.865568E-09 0.100000E-04    0.923927E+00
  21   -0.404949E-06    0.396302E+03  0.102182E-08 0.100000E-04    0.920259E+00
  22   -0.629402E-06    0.387381E+03  0.162476E-08 0.100000E-04    0.992090E+00
  23    0.765577E-06    0.370059E+03 -0.206880E-08 0.100000E-04    0.924483E+00
  24   -0.422441E-06    0.360578E+03  0.117157E-08 0.100000E-04    0.979964E+00
  25   -0.103428E-06    0.349301E+03  0.296100E-09 0.100000E-04    0.408617E+00
  26   -0.836059E-07    0.335337E+03  0.249319E-09 0.100000E-04    0.127291E+01
  27    0.346192E-06    0.329357E+03 -0.105111E-08 0.100000E-04    0.888226E+00
  28   -0.367404E-06    0.321815E+03  0.114166E-08 0.100000E-04    0.894590E+00
  29   -0.415596E-07    0.319167E+03  0.130213E-09 0.100000E-04    0.362560E+00
  30   -0.133621E-05    0.309323E+03  0.431979E-08 0.100000E-04    0.960029E+00
  31   -0.101903E-05    0.300782E+03  0.338794E-08 0.100000E-04    0.956115E+00
  32   -0.122273E-05    0.290605E+03  0.420752E-08 0.100000E-04    0.969120E+00
  33   -0.135580E-08    0.279085E+03  0.485802E-11 0.109000E-04    0.262643E-01
  34   -0.702791E-07    0.272764E+03  0.257656E-09 0.100000E-04    0.196520E+01
  35    0.100088E-05    0.268553E+03 -0.372693E-08 0.100000E-04    0.969316E+00
  36    0.122764E-05    0.264974E+03 -0.463305E-08 0.100000E-04    0.984290E+00
  37   -0.470780E-06    0.263873E+03  0.178412E-08 0.100000E-04    0.897321E+00
  38   -0.137716E-06    0.253180E+03  0.543947E-09 0.100000E-04    0.971605E+00
  39   -0.441340E-06    0.241593E+03  0.182679E-08 0.100000E-04    0.893523E+00
  40   -0.122164E-05    0.240798E+03  0.507329E-08 0.100000E-04    0.986438E+00
  41   -0.990022E-06    0.234060E+03  0.422977E-08 0.100000E-04    0.989757E+00
  42   -0.165541E-05    0.227539E+03  0.727530E-08 0.100000E-04    0.963674E+00
  43    0.819535E-09    0.217178E+03 -0.377356E-11 0.100000E-04    0.539949E+00
  44   -0.190927E-05    0.214901E+03  0.888446E-08 0.100000E-04    0.968815E+00
  45    0.721579E-06    0.213243E+03 -0.338383E-08 0.100000E-04    0.982982E+00
  46    0.106234E-05    0.207706E+03 -0.511461E-08 0.100000E-04    0.984872E+00
  47   -0.727999E-06    0.202973E+03  0.358667E-08 0.100000E-04    0.966860E+00
  48   -0.115504E-05    0.195384E+03  0.591167E-08 0.100000E-04    0.926142E+00
  49    0.934215E-06    0.194864E+03 -0.479419E-08 0.100000E-04    0.948908E+00
  50    0.114130E-05    0.191391E+03 -0.596322E-08 0.100000E-04    0.875643E+00
  51    0.201160E-06    0.183004E+03 -0.109921E-08 0.100000E-04    0.859822E+00
  52   -0.578189E-06    0.174402E+03  0.331526E-08 0.100000E-04    0.927558E+00
  53   -0.152066E-06    0.172352E+03  0.882300E-09 0.100000E-04    0.820205E+00
  54   -0.225148E-06    0.168233E+03  0.133832E-08 0.100000E-04    0.934607E+00
  55   -0.816055E-06    0.163202E+03  0.500028E-08 0.100000E-04    0.992870E+00
  56    0.133092E-05    0.156861E+03 -0.848476E-08 0.100000E-04    0.973272E+00
  57   -0.319471E-06    0.154943E+03  0.206186E-08 0.100000E-04    0.831325E+00
  58   -0.911975E-06    0.152244E+03  0.599021E-08 0.100000E-04    0.998802E+00
  59   -0.620417E-06    0.146629E+03  0.423120E-08 0.100000E-04    0.999916E+00
  60    0.154616E-06    0.143323E+03 -0.107879E-08 0.100000E-04    0.725460E+00
  61   -0.787504E-06    0.138125E+03  0.570140E-08 0.100000E-04    0.812490E+00
  62    0.923418E-06    0.135873E+03 -0.679618E-08 0.100000E-04    0.969251E+00
  63   -0.197132E-05    0.130276E+03  0.151319E-07 0.100000E-04    0.915872E+00
  64    0.746590E-07    0.128853E+03 -0.579414E-09 0.100000E-04    0.402385E+00
  65    0.117734E-05    0.126911E+03 -0.927693E-08 0.100000E-04    0.882581E+00
  66   -0.624937E-06    0.124006E+03  0.503959E-08 0.100000E-04    0.886066E+00
  67    0.180946E-05    0.120023E+03 -0.150760E-07 0.100000E-04    0.960664E+00
  68    0.426071E-06    0.118176E+03 -0.360541E-08 0.100000E-04    0.930686E+00
  69   -0.303633E-08    0.116812E+03  0.259934E-10 0.109000E-04    0.564969E-01
  70    0.127906E-05    0.110378E+03 -0.115880E-07 0.100000E-04    0.944269E+00
  71    0.668991E-06    0.106816E+03 -0.626300E-08 0.100000E-04    0.912654E+00
  72    0.109024E-05    0.104467E+03 -0.104362E-07 0.100000E-04    0.844173E+00
  73   -0.111186E-06    0.102860E+03  0.108094E-08 0.100000E-04    0.727007E+00
  74   -0.850748E-07    0.995082E+02  0.854953E-09 0.109000E-04    0.553781E-02
  75    0.237255E-06    0.960781E+02 -0.246939E-08 0.100000E-04    0.399857E+00
  76    0.148557E-06    0.940895E+02 -0.157889E-08 0.100000E-04    0.846485E+00
  77    0.157189E-05    0.919438E+02 -0.170962E-07 0.100000E-04    0.957794E+00
  78   -0.771700E-06    0.912444E+02  0.845751E-08 0.100000E-04    0.966426E+00
  79   -0.733254E-06    0.883878E+02  0.829587E-08 0.100000E-04    0.981348E+00
  80   -0.524907E-06    0.856274E+02  0.613013E-08 0.100000E-04    0.914500E+00
  81    0.126952E-05    0.808397E+02 -0.157042E-07 0.100000E-04    0.992845E+00
  82   -0.117074E-05    0.805431E+02  0.145356E-07 0.100000E-04    0.929617E+00
  83    0.263958E-06    0.779432E+02 -0.338655E-08 0.100000E-04    0.701761E+00
  84    0.213343E-06    0.732722E+02 -0.291165E-08 0.100000E-04    0.501270E+00
  85    0.191758E-05    0.725211E+02 -0.264417E-07 0.100000E-04    0.886818E+00
  86    0.470745E-06    0.678992E+02 -0.693300E-08 0.100000E-04    0.831643E+00
  87    0.727688E-06    0.647261E+02 -0.112426E-07 0.100000E-04    0.776280E+00
  88    0.108105E-05    0.613217E+02 -0.176292E-07 0.100000E-04    0.954897E+00
  89    0.191907E-05    0.598212E+02 -0.320801E-07 0.100000E-04    0.945209E+00
  90    0.222383E-05    0.594064E+02 -0.374342E-07 0.100000E-04    0.974785E+00
  91   -0.258797E-05    0.581338E+02  0.445175E-07 0.100000E-04    0.914812E+00
  92    0.350474E-05    0.558605E+02 -0.627410E-07 0.100000E-04    0.946033E+00
  93    0.324195E-05    0.524394E+02 -0.618227E-07 0.100000E-04    0.981335E+00
  94    0.685762E-06    0.520067E+02 -0.131860E-07 0.100000E-04    0.814306E+00
  95   -0.184634E-05    0.502773E+02  0.367231E-07 0.100000E-04    0.882970E+00
  96   -0.108286E-05    0.461321E+02  0.234729E-07 0.100000E-04    0.915426E+00
  97    0.280188E-05    0.433757E+02 -0.645957E-07 0.100000E-04    0.879063E+00
  98   -0.429317E-06    0.409233E+02  0.104908E-07 0.100000E-04    0.626928E+00
  99   -0.170162E-05    0.378652E+02  0.449389E-07 0.100000E-04    0.798332E+00
 100   -0.144721E-05    0.361867E+02  0.399929E-07 0.100000E-04    0.886155E+00
 101   -0.103422E-04    0.322452E+02  0.320735E-06 0.100000E-04    0.937040E+00
 102   -0.108822E-07    0.289223E+02  0.376258E-09 0.109000E-04    0.406350E-01
 103    0.244925E-05    0.284564E+02 -0.860702E-07 0.100000E-04    0.959854E+00
 104    0.131783E-05    0.263165E+02 -0.500762E-07 0.100000E-04    0.626214E+00
 105    0.593825E-05    0.233268E+02 -0.254568E-06 0.100000E-04    0.925420E+00
 106   -0.489927E-05    0.213419E+02  0.229561E-06 0.100000E-04    0.963303E+00
 107   -0.199968E-04    0.198480E+02  0.100750E-05 0.100000E-04    0.917508E+00
 108    0.224639E-04    0.164495E+02 -0.136563E-05 0.100000E-04    0.927992E+00
 109   -0.519257E-05    0.139124E+02  0.373235E-06 0.100000E-04    0.956439E+00
 110    0.851668E-05    0.122446E+02 -0.695548E-06 0.100000E-04    0.844899E+00
 111    0.188796E-05    0.100861E+02 -0.187185E-06 0.100000E-04    0.751985E+00
 112   -0.304660E-01    0.915704E+01  0.100000E-04 0.100000E-04    0.555259E+00
 113   -0.101512E+00    0.575811E+01  0.210948E-04 0.210948E-04    0.145047E+00
 114   -0.913811E+00    0.315067E+01 -0.100000E-04 0.100000E-04    0.782032E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2109482367E-04    0.2690432125    

 Beginning of optimization cycle  668.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990348375
 potential> RMS force:                                               0.0861613047   |gradient|=.9199509926    
 Eigenvalues of the Hessian matrix:
   746.91489    673.97474    630.87063    600.58271    586.33488    578.90050 
   564.65838    487.43135    460.52763    459.73860    441.62911    429.46307 
   421.86590    407.84323    396.30150    387.37923    370.05922    360.57842 
   349.30009    335.33775    329.35813    321.81485    319.16733    309.32168 
   300.78112    290.60494    279.08633    272.76426    268.55333    264.97387 
   263.87337    253.17902    241.59318    240.79824    234.06090    227.53937 
   217.17887    214.90072    213.24280    207.70668    202.97309    195.38285 
   194.86440    191.39107    183.00495    174.40304    172.35193    168.23289 
   163.20168    156.86036    154.94355    152.24407    146.62845    143.32270 
   138.12521    135.87303    130.27565    128.85286    126.91095    124.00452 
   120.02274    118.17571    116.81131    110.37801    106.81622    104.46738 
   102.86007     99.50814     96.07792     94.08931     91.94339     91.24464 
    88.38733     85.62768     80.83980     80.54377     77.94295     73.27202 
    72.52056     67.89885     64.72563     61.32132     59.82094     59.40645 
    58.13373     55.86029     52.43934     52.00635     50.27792     46.13167 
    43.37629     40.92339     37.86518     36.18635     32.24483     28.92263 
    28.45643     26.31675     23.32669     21.34215     19.84790     16.44938 
    13.91241     12.24459     10.08601      9.15856      5.75828      3.15035 
overlap for current and previous eigenvector    109 is         0.9999999886
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999571
overlap for current and previous eigenvector    112 is         0.9999999253
overlap for current and previous eigenvector    113 is         0.9999999374
overlap for current and previous eigenvector    114 is         0.9999999678
J1,K1,R1,R2,RAT=   7   7    0.4389233992E-02     1.995600675        0.9956006749    
FOB,PFOB,DIAG,PSTEP=   -0.1748312468E-06   -0.1756020090E-06     746.9148945        0.2351042888E-09
J1,K1,R1,R2,RAT=   8   8   -0.4119566359E-01     2.041199727        0.9588043364    
FOB,PFOB,DIAG,PSTEP=   -0.4128201925E-06   -0.3964866933E-06     673.9747435        0.5882800381E-09
J1,K1,R1,R2,RAT=   9   9   -0.4475118764E-01     2.044742007        0.9552488124    
FOB,PFOB,DIAG,PSTEP=   -0.7284050282E-06   -0.6972041703E-06     630.8706263        0.1105151106E-08
J1,K1,R1,R2,RAT=  10  10    -1.233468021         3.233475409        0.2334680212    
FOB,PFOB,DIAG,PSTEP=   -0.4121894683E-07   -0.1845516951E-07     600.5827051        0.3072865931E-10
J1,K1,R1,R2,RAT=  11  11   -0.5449622267         2.544963980        0.4550377733    
FOB,PFOB,DIAG,PSTEP=    0.4489816408E-08    0.2906101987E-08     586.3348776       -0.4956381668E-11
J1,K1,R1,R2,RAT= 109 109   -0.3965289128E-01     2.039644302        0.9603471087    
FOB,PFOB,DIAG,PSTEP=   -0.5398473696E-05   -0.5192572307E-05     13.91241234        0.3732346684E-06
J1,K1,R1,R2,RAT= 110 110   -0.1515723915         2.151568698        0.8484276085    
FOB,PFOB,DIAG,PSTEP=    0.9807578955E-05    0.8516682618E-05     12.24459321       -0.6955476758E-06
J1,K1,R1,R2,RAT= 111 111   -0.3334974665         2.333509646        0.6665025335    
FOB,PFOB,DIAG,PSTEP=    0.2517587387E-05    0.1887961008E-05     10.08601069       -0.1871849604E-06
J1,K1,R1,R2,RAT= 112 112    0.4166999397         664.8852316        0.5833000603    
FOB,PFOB,DIAG,PSTEP=   -0.3042786288E-01   -0.3046602658E-01     9.158556478        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7990976192         1672.186340        0.2009023808    
FOB,PFOB,DIAG,PSTEP=   -0.1016086422       -0.1015115759         5.758277408        0.2109482367E-04
J1,K1,R1,R2,RAT= 114 114    0.1728654533        -58013.40595        0.8271345467    
FOB,PFOB,DIAG,PSTEP=   -0.9138159860       -0.9138105401         3.150352054       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03043     -0.10161     -0.91382 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3810891271
 Log product of positive Hessian eigenvalues =          519.0762474895
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1503520545
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=       -0.0000000068
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000163
 Unscaled step for mode   64=       -0.0000000013
 Unscaled step for mode   65=       -0.0000000103
 Unscaled step for mode   66=        0.0000000056
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000121
 Unscaled step for mode   71=       -0.0000000068
 Unscaled step for mode   72=       -0.0000000093
 Unscaled step for mode   73=        0.0000000014
 Unscaled step for mode   74=        0.0000000005
 Unscaled step for mode   75=       -0.0000000013
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=        0.0000000165
 Unscaled step for mode   78=       -0.0000000087
 Unscaled step for mode   79=        0.0000000084
 Unscaled step for mode   80=        0.0000000066
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000154
 Unscaled step for mode   83=       -0.0000000027
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=       -0.0000000293
 Unscaled step for mode   86=       -0.0000000081
 Unscaled step for mode   87=       -0.0000000138
 Unscaled step for mode   88=       -0.0000000169
 Unscaled step for mode   89=       -0.0000000336
 Unscaled step for mode   90=       -0.0000000382
 Unscaled step for mode   91=        0.0000000476
 Unscaled step for mode   92=       -0.0000000655
 Unscaled step for mode   93=       -0.0000000626
 Unscaled step for mode   94=       -0.0000000113
 Unscaled step for mode   95=        0.0000000409
 Unscaled step for mode   96=        0.0000000250
 Unscaled step for mode   97=       -0.0000000718
 Unscaled step for mode   98=       -0.0000000159
 Unscaled step for mode   99=       -0.0000000544
 Unscaled step for mode  100=       -0.0000000442
 Unscaled step for mode  101=       -0.0000003371
 Unscaled step for mode  102=       -0.0000000073
 Unscaled step for mode  103=       -0.0000000891
 Unscaled step for mode  104=       -0.0000000397
 Unscaled step for mode  105=       -0.0000002708
 Unscaled step for mode  106=        0.0000002362
 Unscaled step for mode  107=        0.0000010791
 Unscaled step for mode  108=       -0.0000014493
 Unscaled step for mode  109=        0.0000003880
 Unscaled step for mode  110=       -0.0000008010
 Unscaled step for mode  111=       -0.0000002496
 Unscaled step for mode  112=        0.0033223060
 Unscaled step for mode  113=        0.0176401755
 Unscaled step for mode  114=       -0.2690677215
 Largest modulus ratio of non-zero e/values=           237.0893416    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.497107E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.271094E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.780842E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.548037E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.694114E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.437519E-14    0.974318E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174831E-06    0.746915E+03  0.234071E-09 0.100000E-04    0.995601E+00
   8   -0.412820E-06    0.673975E+03  0.612516E-09 0.100000E-04    0.958804E+00
   9   -0.728405E-06    0.630871E+03  0.115460E-08 0.100000E-04    0.955249E+00
  10   -0.412189E-07    0.600583E+03  0.686316E-10 0.100000E-04    0.233468E+00
  11    0.448982E-08    0.586335E+03 -0.765743E-11 0.100000E-04    0.455038E+00
  12   -0.104339E-05    0.578900E+03  0.180236E-08 0.100000E-04    0.951507E+00
  13    0.468750E-07    0.564658E+03 -0.830148E-10 0.100000E-04    0.930250E+00
  14    0.436984E-06    0.487431E+03 -0.896504E-09 0.100000E-04    0.939491E+00
  15   -0.442408E-06    0.460528E+03  0.960654E-09 0.100000E-04    0.948260E+00
  16   -0.133705E-06    0.459739E+03  0.290828E-09 0.100000E-04    0.805430E+00
  17   -0.611389E-06    0.441629E+03  0.138439E-08 0.100000E-04    0.916550E+00
  18   -0.414182E-06    0.429463E+03  0.964417E-09 0.100000E-04    0.942384E+00
  19   -0.138685E-06    0.421866E+03  0.328742E-09 0.100000E-04    0.811918E+00
  20   -0.376720E-06    0.407843E+03  0.923689E-09 0.100000E-04    0.932856E+00
  21   -0.433842E-06    0.396301E+03  0.109473E-08 0.100000E-04    0.928650E+00
  22   -0.632021E-06    0.387379E+03  0.163153E-08 0.100000E-04    0.995839E+00
  23    0.817312E-06    0.370059E+03 -0.220860E-08 0.100000E-04    0.932423E+00
  24   -0.429084E-06    0.360578E+03  0.118999E-08 0.100000E-04    0.984275E+00
  25   -0.707029E-07    0.349300E+03  0.202413E-09 0.100000E-04    0.683594E+00
  26   -0.369371E-07    0.335338E+03  0.110149E-09 0.100000E-04    0.441797E+00
  27    0.380980E-06    0.329358E+03 -0.115674E-08 0.100000E-04    0.899513E+00
  28   -0.401771E-06    0.321815E+03  0.124845E-08 0.100000E-04    0.906461E+00
  29   -0.983235E-07    0.319167E+03  0.308063E-09 0.100000E-04    0.365842E+00
  30   -0.137641E-05    0.309322E+03  0.444977E-08 0.100000E-04    0.969914E+00
  31   -0.105654E-05    0.300781E+03  0.351266E-08 0.100000E-04    0.963188E+00
  32   -0.125228E-05    0.290605E+03  0.430922E-08 0.100000E-04    0.975829E+00
  33   -0.423360E-07    0.279086E+03  0.151695E-09 0.100000E-04    0.292257E+02
  34   -0.282655E-07    0.272764E+03  0.103626E-09 0.100000E-04    0.402187E+00
  35    0.102393E-05    0.268553E+03 -0.381278E-08 0.100000E-04    0.976965E+00
  36    0.124215E-05    0.264974E+03 -0.468780E-08 0.100000E-04    0.988181E+00
  37   -0.515688E-06    0.263873E+03  0.195430E-08 0.100000E-04    0.904610E+00
  38   -0.134212E-06    0.253179E+03  0.530107E-09 0.100000E-04    0.974553E+00
  39   -0.408430E-06    0.241593E+03  0.169057E-08 0.100000E-04    0.925427E+00
  40   -0.123351E-05    0.240798E+03  0.512258E-08 0.100000E-04    0.990284E+00
  41   -0.982096E-06    0.234061E+03  0.419590E-08 0.100000E-04    0.991988E+00
  42   -0.170105E-05    0.227539E+03  0.747585E-08 0.100000E-04    0.972432E+00
  43    0.242154E-09    0.217179E+03 -0.111500E-11 0.100000E-04    0.295473E+00
  44   -0.195771E-05    0.214901E+03  0.910983E-08 0.100000E-04    0.974632E+00
  45    0.709360E-06    0.213243E+03 -0.332654E-08 0.100000E-04    0.983067E+00
  46    0.107692E-05    0.207707E+03 -0.518483E-08 0.100000E-04    0.986267E+00
  47   -0.748831E-06    0.202973E+03  0.368931E-08 0.100000E-04    0.971384E+00
  48   -0.122691E-05    0.195383E+03  0.627949E-08 0.100000E-04    0.937784E+00
  49    0.976510E-06    0.194864E+03 -0.501123E-08 0.100000E-04    0.954727E+00
  50    0.127289E-05    0.191391E+03 -0.665071E-08 0.100000E-04    0.884710E+00
  51    0.227522E-06    0.183005E+03 -0.124326E-08 0.100000E-04    0.868949E+00
  52   -0.613605E-06    0.174403E+03  0.351832E-08 0.100000E-04    0.938746E+00
  53   -0.133561E-06    0.172352E+03  0.774933E-09 0.100000E-04    0.878309E+00
  54   -0.212979E-06    0.168233E+03  0.126598E-08 0.100000E-04    0.945948E+00
  55   -0.806981E-06    0.163202E+03  0.494469E-08 0.100000E-04    0.988881E+00
  56    0.136043E-05    0.156860E+03 -0.867290E-08 0.100000E-04    0.977828E+00
  57   -0.374905E-06    0.154944E+03  0.241962E-08 0.100000E-04    0.826484E+00
  58   -0.907936E-06    0.152244E+03  0.596369E-08 0.100000E-04    0.995571E+00
  59   -0.618341E-06    0.146628E+03  0.421706E-08 0.100000E-04    0.996653E+00
  60    0.204654E-06    0.143323E+03 -0.142793E-08 0.100000E-04    0.676366E+00
  61    0.937817E-06    0.138125E+03 -0.678961E-08 0.100000E-04    0.809128E+00
  62   -0.945162E-06    0.135873E+03  0.695621E-08 0.100000E-04    0.976453E+00
  63   -0.211701E-05    0.130276E+03  0.162502E-07 0.100000E-04    0.926093E+00
  64    0.164424E-06    0.128853E+03 -0.127606E-08 0.100000E-04    0.202335E+00
  65    0.130809E-05    0.126911E+03 -0.103071E-07 0.100000E-04    0.888950E+00
  66   -0.693274E-06    0.124005E+03  0.559071E-08 0.100000E-04    0.890650E+00
  67    0.186809E-05    0.120023E+03 -0.155644E-07 0.100000E-04    0.967602E+00
  68    0.452016E-06    0.118176E+03 -0.382495E-08 0.100000E-04    0.939106E+00
  69    0.475474E-07    0.116811E+03 -0.407045E-09 0.100000E-04    0.136595E+02
  70    0.133996E-05    0.110378E+03 -0.121397E-07 0.100000E-04    0.952387E+00
  71    0.721885E-06    0.106816E+03 -0.675820E-08 0.100000E-04    0.920934E+00
  72    0.969163E-06    0.104467E+03 -0.927718E-08 0.100000E-04    0.888940E+00
  73   -0.145040E-06    0.102860E+03  0.141007E-08 0.100000E-04    0.695513E+00
  74   -0.476429E-07    0.995081E+02  0.478784E-09 0.100000E-04    0.560011E+00
  75    0.120117E-06    0.960779E+02 -0.125020E-08 0.100000E-04    0.506276E+00
  76    0.169247E-06    0.940893E+02 -0.179879E-08 0.100000E-04    0.860724E+00
  77   -0.151647E-05    0.919434E+02  0.164935E-07 0.100000E-04    0.964741E+00
  78    0.790091E-06    0.912446E+02 -0.865904E-08 0.100000E-04    0.976169E+00
  79   -0.741859E-06    0.883873E+02  0.839327E-08 0.100000E-04    0.988265E+00
  80   -0.566687E-06    0.856277E+02  0.661804E-08 0.100000E-04    0.920404E+00
  81    0.127391E-05    0.808398E+02 -0.157584E-07 0.100000E-04    0.996545E+00
  82   -0.124256E-05    0.805438E+02  0.154272E-07 0.100000E-04    0.938652E+00
  83    0.213004E-06    0.779429E+02 -0.273282E-08 0.100000E-04    0.806961E+00
  84    0.388146E-06    0.732720E+02 -0.529733E-08 0.109000E-04    0.180646E+00
  85    0.212439E-05    0.725206E+02 -0.292937E-07 0.100000E-04    0.892149E+00
  86    0.547628E-06    0.678989E+02 -0.806536E-08 0.100000E-04    0.836676E+00
  87    0.896210E-06    0.647256E+02 -0.138463E-07 0.100000E-04    0.768414E+00
  88    0.103565E-05    0.613213E+02 -0.168888E-07 0.100000E-04    0.957997E+00
  89    0.201190E-05    0.598209E+02 -0.336320E-07 0.100000E-04    0.951627E+00
  90    0.226654E-05    0.594064E+02 -0.381531E-07 0.100000E-04    0.980794E+00
  91   -0.276537E-05    0.581337E+02  0.475691E-07 0.100000E-04    0.931453E+00
  92    0.365884E-05    0.558603E+02 -0.654999E-07 0.100000E-04    0.956030E+00
  93    0.328103E-05    0.524393E+02 -0.625681E-07 0.100000E-04    0.987946E+00
  94    0.589898E-06    0.520063E+02 -0.113428E-07 0.100000E-04    0.860207E+00
  95   -0.205624E-05    0.502779E+02  0.408975E-07 0.100000E-04    0.886316E+00
  96   -0.115256E-05    0.461317E+02  0.249842E-07 0.100000E-04    0.935624E+00
  97    0.311595E-05    0.433763E+02 -0.718353E-07 0.100000E-04    0.887912E+00
  98    0.649666E-06    0.409234E+02 -0.158752E-07 0.100000E-04    0.486746E+00
  99    0.206029E-05    0.378652E+02 -0.544113E-07 0.100000E-04    0.789216E+00
 100    0.159951E-05    0.361864E+02 -0.442019E-07 0.100000E-04    0.894765E+00
 101    0.108709E-04    0.322448E+02 -0.337137E-06 0.100000E-04    0.948873E+00
 102    0.211613E-06    0.289226E+02 -0.731652E-08 0.100000E-04    0.174455E+02
 103    0.253544E-05    0.284564E+02 -0.890992E-07 0.100000E-04    0.964806E+00
 104    0.104592E-05    0.263167E+02 -0.397435E-07 0.100000E-04    0.793650E+00
 105    0.631633E-05    0.233267E+02 -0.270777E-06 0.100000E-04    0.936331E+00
 106   -0.504084E-05    0.213422E+02  0.236192E-06 0.100000E-04    0.971104E+00
 107   -0.214186E-04    0.198479E+02  0.107913E-05 0.100000E-04    0.928900E+00
 108    0.238406E-04    0.164494E+02 -0.144933E-05 0.100000E-04    0.938716E+00
 109   -0.539847E-05    0.139124E+02  0.388033E-06 0.100000E-04    0.960347E+00
 110    0.980758E-05    0.122446E+02 -0.800972E-06 0.100000E-04    0.848428E+00
 111    0.251759E-05    0.100860E+02 -0.249612E-06 0.100000E-04    0.666503E+00
 112   -0.304279E-01    0.915856E+01  0.100000E-04 0.100000E-04    0.583300E+00
 113   -0.101609E+00    0.575828E+01  0.190043E-04 0.190043E-04    0.200902E+00
 114   -0.913816E+00    0.315035E+01 -0.100000E-04 0.100000E-04    0.827135E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1900434565E-04    0.2690677215    

 Beginning of optimization cycle  669.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990279331
 potential> RMS force:                                               0.0861628200   |gradient|=.9199671713    
 Eigenvalues of the Hessian matrix:
   746.91855    673.97360    630.87341    600.58047    586.33444    578.90061 
   564.65460    487.43107    460.52638    459.73809    441.62862    429.46420 
   421.86528    407.84171    396.30097    387.37786    370.05968    360.57856 
   349.29935    335.33833    329.35894    321.81465    319.16788    309.32058 
   300.78051    290.60500    279.08769    272.76469    268.55353    264.97417 
   263.87387    253.17842    241.59345    240.79856    234.06160    227.53962 
   217.17953    214.90085    213.24253    207.70713    202.97270    195.38208 
   194.86472    191.39151    183.00562    174.40372    172.35216    168.23314 
   163.20139    156.86014    154.94403    152.24390    146.62790    143.32234 
   138.12569    135.87302    130.27544    128.85305    126.91116    124.00348 
   120.02292    118.17585    116.81092    110.37824    106.81609    104.46760 
   102.86015     99.50808     96.07774     94.08911     91.94298     91.24483 
    88.38685     85.62795     80.83988     80.54439     77.94274     73.27185 
    72.52005     67.89860     64.72522     61.32089     59.82068     59.40655 
    58.13371     55.86009     52.43926     52.00601     50.27847     46.13128 
    43.37682     40.92351     37.86517     36.18608     32.24448     28.92295 
    28.45648     26.31701     23.32658     21.34241     19.84779     16.44929 
    13.91247     12.24462     10.08595      9.15998      5.75843      3.15005 
overlap for current and previous eigenvector    109 is         0.9999999901
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999639
overlap for current and previous eigenvector    112 is         0.9999999357
overlap for current and previous eigenvector    113 is         0.9999999447
overlap for current and previous eigenvector    114 is         0.9999999720
J1,K1,R1,R2,RAT=   7   7   -0.1147372005E-01     2.011463922        0.9885262799    
FOB,PFOB,DIAG,PSTEP=   -0.1768372214E-06   -0.1748312468E-06     746.9185538        0.2340711748E-09
J1,K1,R1,R2,RAT=   8   8    0.4740473332E-01     1.952598666        0.9525952667    
FOB,PFOB,DIAG,PSTEP=   -0.3932505947E-06   -0.4128201925E-06     673.9735979        0.6125158198E-09
J1,K1,R1,R2,RAT=   9   9    0.5196676239E-01     1.948024406        0.9480244056    
FOB,PFOB,DIAG,PSTEP=   -0.6905520100E-06   -0.7284050282E-06     630.8734123        0.1154602858E-08
J1,K1,R1,R2,RAT=  10  10    0.6403766088         1.359630846        0.3596233912    
FOB,PFOB,DIAG,PSTEP=   -0.1482339583E-07   -0.4121894683E-07     600.5804665        0.6863159142E-10
J1,K1,R1,R2,RAT=  11  11    0.6768312092         1.323170291        0.3231687908    
FOB,PFOB,DIAG,PSTEP=    0.1450970820E-08    0.4489816408E-08     586.3344376       -0.7657426805E-11
J1,K1,R1,R2,RAT= 109 109    0.4283737486E-01     1.957154192        0.9571541918    
FOB,PFOB,DIAG,PSTEP=   -0.5167216280E-05   -0.5398473696E-05     13.91247101        0.3880328992E-06
J1,K1,R1,R2,RAT= 110 110    0.1565752978         1.843420967        0.8434209666    
FOB,PFOB,DIAG,PSTEP=    0.8271951491E-05    0.9807578955E-05     12.24461608       -0.8009722158E-06
J1,K1,R1,R2,RAT= 111 111    0.2444670036         1.755545699        0.7555329964    
FOB,PFOB,DIAG,PSTEP=    0.1902124252E-05    0.2517587387E-05     10.08594663       -0.2496118104E-06
J1,K1,R1,R2,RAT= 112 112    0.4508098432         663.9146190        0.5491901568    
FOB,PFOB,DIAG,PSTEP=   -0.3038656879E-01   -0.3042786288E-01     9.159977793        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8606079034         1857.826121        0.1393920966    
FOB,PFOB,DIAG,PSTEP=   -0.1017028229       -0.1016086422         5.758427250        0.1900434565E-04
J1,K1,R1,R2,RAT= 114 114    0.2280799218        -58019.35226        0.7719200782    
FOB,PFOB,DIAG,PSTEP=   -0.9138231706       -0.9138159860         3.150050949       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001     -0.00000 
     0.00000      0.00000      0.00001     -0.00000     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03039     -0.10170     -0.91382 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3810665249
 Log product of positive Hessian eigenvalues =          519.0763099867
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1500509492
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000058
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000084
 Unscaled step for mode   57=        0.0000000020
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000010
 Unscaled step for mode   61=       -0.0000000055
 Unscaled step for mode   62=        0.0000000067
 Unscaled step for mode   63=        0.0000000149
 Unscaled step for mode   64=       -0.0000000004
 Unscaled step for mode   65=       -0.0000000091
 Unscaled step for mode   66=        0.0000000050
 Unscaled step for mode   67=       -0.0000000150
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=       -0.0000000115
 Unscaled step for mode   71=       -0.0000000062
 Unscaled step for mode   72=        0.0000000107
 Unscaled step for mode   73=       -0.0000000010
 Unscaled step for mode   74=        0.0000000009
 Unscaled step for mode   75=       -0.0000000027
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=       -0.0000000172
 Unscaled step for mode   78=       -0.0000000084
 Unscaled step for mode   79=        0.0000000082
 Unscaled step for mode   80=        0.0000000061
 Unscaled step for mode   81=       -0.0000000156
 Unscaled step for mode   82=        0.0000000143
 Unscaled step for mode   83=       -0.0000000035
 Unscaled step for mode   84=       -0.0000000025
 Unscaled step for mode   85=       -0.0000000260
 Unscaled step for mode   86=       -0.0000000067
 Unscaled step for mode   87=       -0.0000000107
 Unscaled step for mode   88=       -0.0000000176
 Unscaled step for mode   89=       -0.0000000318
 Unscaled step for mode   90=       -0.0000000372
 Unscaled step for mode   91=        0.0000000435
 Unscaled step for mode   92=       -0.0000000620
 Unscaled step for mode   93=       -0.0000000614
 Unscaled step for mode   94=       -0.0000000134
 Unscaled step for mode   95=        0.0000000361
 Unscaled step for mode   96=        0.0000000229
 Unscaled step for mode   97=       -0.0000000631
 Unscaled step for mode   98=       -0.0000000097
 Unscaled step for mode   99=       -0.0000000433
 Unscaled step for mode  100=       -0.0000000392
 Unscaled step for mode  101=       -0.0000003160
 Unscaled step for mode  102=        0.0000000022
 Unscaled step for mode  103=       -0.0000000856
 Unscaled step for mode  104=       -0.0000000532
 Unscaled step for mode  105=       -0.0000002506
 Unscaled step for mode  106=        0.0000002276
 Unscaled step for mode  107=        0.0000009901
 Unscaled step for mode  108=       -0.0000013452
 Unscaled step for mode  109=        0.0000003714
 Unscaled step for mode  110=       -0.0000006756
 Unscaled step for mode  111=       -0.0000001886
 Unscaled step for mode  112=        0.0033172825
 Unscaled step for mode  113=        0.0176560568
 Unscaled step for mode  114=       -0.2690917979
 Largest modulus ratio of non-zero e/values=           237.1131660    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.104235E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.233255E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.292991E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.425305E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.134441E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.485912E-14    0.974318E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176837E-06    0.746919E+03  0.236756E-09 0.100000E-04    0.988526E+00
   8   -0.393251E-06    0.673974E+03  0.583481E-09 0.100000E-04    0.952595E+00
   9   -0.690552E-06    0.630873E+03  0.109460E-08 0.100000E-04    0.948024E+00
  10   -0.148234E-07    0.600580E+03  0.246818E-10 0.100000E-04    0.359623E+00
  11    0.145097E-08    0.586334E+03 -0.247465E-11 0.100000E-04    0.323169E+00
  12   -0.985960E-06    0.578901E+03  0.170316E-08 0.100000E-04    0.944961E+00
  13    0.507684E-07    0.564655E+03 -0.899105E-10 0.100000E-04    0.916941E+00
  14    0.408258E-06    0.487431E+03 -0.837570E-09 0.100000E-04    0.934263E+00
  15   -0.416054E-06    0.460526E+03  0.903431E-09 0.100000E-04    0.940431E+00
  16   -0.107693E-06    0.459738E+03  0.234248E-09 0.100000E-04    0.805452E+00
  17   -0.556055E-06    0.441629E+03  0.125910E-08 0.100000E-04    0.909495E+00
  18   -0.386573E-06    0.429464E+03  0.900129E-09 0.100000E-04    0.933337E+00
  19   -0.176339E-06    0.421865E+03  0.417999E-09 0.100000E-04    0.728494E+00
  20   -0.348202E-06    0.407842E+03  0.853766E-09 0.100000E-04    0.924297E+00
  21   -0.399383E-06    0.396301E+03  0.100778E-08 0.100000E-04    0.920574E+00
  22   -0.627150E-06    0.387378E+03  0.161896E-08 0.100000E-04    0.992293E+00
  23    0.755936E-06    0.370060E+03 -0.204274E-08 0.100000E-04    0.924902E+00
  24   -0.420652E-06    0.360579E+03  0.116660E-08 0.100000E-04    0.980349E+00
  25   -0.108491E-06    0.349299E+03  0.310596E-09 0.100000E-04    0.465535E+00
  26   -0.940512E-07    0.335338E+03  0.280467E-09 0.100000E-04    0.546254E+00
  27    0.338195E-06    0.329359E+03 -0.102683E-08 0.100000E-04    0.887692E+00
  28   -0.359242E-06    0.321815E+03  0.111630E-08 0.100000E-04    0.894146E+00
  29   -0.264686E-07    0.319168E+03  0.829301E-10 0.100000E-04    0.269197E+00
  30   -0.132181E-05    0.309321E+03  0.427325E-08 0.100000E-04    0.960328E+00
  31   -0.101066E-05    0.300781E+03  0.336013E-08 0.100000E-04    0.956573E+00
  32   -0.121408E-05    0.290605E+03  0.417776E-08 0.100000E-04    0.969492E+00
  33    0.709897E-08    0.279088E+03 -0.254363E-10 0.109000E-04    0.167676E+00
  34   -0.799763E-07    0.272765E+03  0.293206E-09 0.100000E-04    0.829461E+00
  35    0.992878E-06    0.268554E+03 -0.369713E-08 0.100000E-04    0.969668E+00
  36    0.122303E-05    0.264974E+03 -0.461566E-08 0.100000E-04    0.984609E+00
  37   -0.462784E-06    0.263874E+03  0.175381E-08 0.100000E-04    0.897408E+00
  38   -0.137986E-06    0.253178E+03  0.545016E-09 0.100000E-04    0.971878E+00
  39   -0.450208E-06    0.241593E+03  0.186350E-08 0.100000E-04    0.897709E+00
  40   -0.121709E-05    0.240799E+03  0.505438E-08 0.100000E-04    0.986686E+00
  41   -0.992067E-06    0.234062E+03  0.423849E-08 0.100000E-04    0.989848E+00
  42   -0.163987E-05    0.227540E+03  0.720697E-08 0.100000E-04    0.964032E+00
  43    0.250827E-08    0.217180E+03 -0.115493E-10 0.100000E-04    0.835815E+01
  44   -0.189751E-05    0.214901E+03  0.882971E-08 0.100000E-04    0.969250E+00
  45    0.721285E-06    0.213243E+03 -0.338246E-08 0.100000E-04    0.983190E+00
  46    0.106098E-05    0.207707E+03 -0.510808E-08 0.100000E-04    0.985194E+00
  47   -0.724388E-06    0.202973E+03  0.356889E-08 0.100000E-04    0.967358E+00
  48   -0.113642E-05    0.195382E+03  0.581639E-08 0.100000E-04    0.926247E+00
  49    0.927078E-06    0.194865E+03 -0.475755E-08 0.100000E-04    0.949376E+00
  50    0.111377E-05    0.191392E+03 -0.581935E-08 0.100000E-04    0.874994E+00
  51    0.195298E-06    0.183006E+03 -0.106717E-08 0.100000E-04    0.858362E+00
  52   -0.569250E-06    0.174404E+03  0.326398E-08 0.100000E-04    0.927706E+00
  53   -0.156299E-06    0.172352E+03  0.906857E-09 0.100000E-04    0.829759E+00
  54   -0.226573E-06    0.168233E+03  0.134678E-08 0.100000E-04    0.936176E+00
  55   -0.812787E-06    0.163201E+03  0.498027E-08 0.100000E-04    0.992805E+00
  56    0.132464E-05    0.156860E+03 -0.844469E-08 0.100000E-04    0.973686E+00
  57   -0.311251E-06    0.154944E+03  0.200880E-08 0.100000E-04    0.830208E+00
  58   -0.909072E-06    0.152244E+03  0.597116E-08 0.100000E-04    0.998749E+00
  59   -0.618377E-06    0.146628E+03  0.421732E-08 0.100000E-04    0.999941E+00
  60    0.147161E-06    0.143322E+03 -0.102678E-08 0.100000E-04    0.719070E+00
  61    0.759287E-06    0.138126E+03 -0.549707E-08 0.100000E-04    0.809627E+00
  62   -0.916414E-06    0.135873E+03  0.674463E-08 0.100000E-04    0.969584E+00
  63   -0.193911E-05    0.130275E+03  0.148847E-07 0.100000E-04    0.915966E+00
  64    0.553364E-07    0.128853E+03 -0.429454E-09 0.100000E-04    0.336544E+00
  65    0.115432E-05    0.126911E+03 -0.909552E-08 0.100000E-04    0.882448E+00
  66   -0.614276E-06    0.124003E+03  0.495370E-08 0.100000E-04    0.886050E+00
  67    0.179547E-05    0.120023E+03 -0.149594E-07 0.100000E-04    0.961123E+00
  68    0.420892E-06    0.118176E+03 -0.356158E-08 0.100000E-04    0.931142E+00
  69   -0.821911E-08    0.116811E+03  0.703625E-10 0.109000E-04    0.172859E+00
  70    0.126594E-05    0.110378E+03 -0.114691E-07 0.100000E-04    0.944755E+00
  71    0.658863E-06    0.106816E+03 -0.616820E-08 0.100000E-04    0.912698E+00
  72   -0.111375E-05    0.104468E+03  0.106612E-07 0.100000E-04    0.850816E+00
  73    0.104119E-06    0.102860E+03 -0.101224E-08 0.100000E-04    0.717859E+00
  74   -0.895117E-07    0.995081E+02  0.899542E-09 0.109000E-04    0.121194E+00
  75    0.256187E-06    0.960777E+02 -0.266645E-08 0.109000E-04    0.132818E+00
  76    0.142948E-06    0.940891E+02 -0.151928E-08 0.100000E-04    0.844611E+00
  77    0.157914E-05    0.919430E+02 -0.171752E-07 0.100000E-04    0.958673E+00
  78    0.763804E-06    0.912448E+02 -0.837093E-08 0.100000E-04    0.966726E+00
  79   -0.728142E-06    0.883868E+02  0.823812E-08 0.100000E-04    0.981509E+00
  80   -0.518383E-06    0.856279E+02  0.605390E-08 0.100000E-04    0.914754E+00
  81    0.126503E-05    0.808399E+02 -0.156485E-07 0.100000E-04    0.993026E+00
  82   -0.115552E-05    0.805444E+02  0.143463E-07 0.100000E-04    0.929930E+00
  83    0.272793E-06    0.779427E+02 -0.349991E-08 0.100000E-04    0.719308E+00
  84    0.179717E-06    0.732719E+02 -0.245275E-08 0.100000E-04    0.463014E+00
  85    0.188389E-05    0.725200E+02 -0.259775E-07 0.100000E-04    0.886790E+00
  86    0.454093E-06    0.678986E+02 -0.668781E-08 0.100000E-04    0.829198E+00
  87    0.690019E-06    0.647252E+02 -0.106607E-07 0.100000E-04    0.769928E+00
  88    0.108184E-05    0.613209E+02 -0.176423E-07 0.100000E-04    0.955395E+00
  89    0.190300E-05    0.598207E+02 -0.318117E-07 0.100000E-04    0.945870E+00
  90    0.221000E-05    0.594065E+02 -0.372012E-07 0.100000E-04    0.975050E+00
  91   -0.252900E-05    0.581337E+02  0.435032E-07 0.100000E-04    0.914525E+00
  92    0.346241E-05    0.558601E+02 -0.619836E-07 0.100000E-04    0.946312E+00
  93    0.322062E-05    0.524393E+02 -0.614161E-07 0.100000E-04    0.981587E+00
  94    0.695650E-06    0.520060E+02 -0.133763E-07 0.100000E-04    0.820728E+00
  95   -0.181591E-05    0.502785E+02  0.361171E-07 0.100000E-04    0.883102E+00
  96   -0.105447E-05    0.461313E+02  0.228581E-07 0.100000E-04    0.914890E+00
  97    0.273778E-05    0.433768E+02 -0.631161E-07 0.100000E-04    0.878611E+00
  98    0.398531E-06    0.409235E+02 -0.973843E-08 0.100000E-04    0.613435E+00
  99    0.163791E-05    0.378652E+02 -0.432563E-07 0.100000E-04    0.794986E+00
 100    0.141692E-05    0.361861E+02 -0.391565E-07 0.100000E-04    0.885847E+00
 101    0.101887E-04    0.322445E+02 -0.315982E-06 0.100000E-04    0.937240E+00
 102   -0.624543E-07    0.289230E+02  0.215933E-08 0.100000E-04    0.295120E+00
 103    0.243500E-05    0.284565E+02 -0.855691E-07 0.100000E-04    0.960379E+00
 104    0.139947E-05    0.263170E+02 -0.531776E-07 0.100000E-04    0.661970E+00
 105    0.584607E-05    0.233266E+02 -0.250619E-06 0.100000E-04    0.925549E+00
 106   -0.485859E-05    0.213424E+02  0.227650E-06 0.100000E-04    0.963820E+00
 107   -0.196522E-04    0.198478E+02  0.990146E-06 0.100000E-04    0.917532E+00
 108    0.221282E-04    0.164493E+02 -0.134524E-05 0.100000E-04    0.928173E+00
 109   -0.516722E-05    0.139125E+02  0.371409E-06 0.100000E-04    0.957154E+00
 110    0.827195E-05    0.122446E+02 -0.675558E-06 0.100000E-04    0.843421E+00
 111    0.190212E-05    0.100859E+02 -0.188592E-06 0.100000E-04    0.755533E+00
 112   -0.303866E-01    0.915998E+01  0.100000E-04 0.100000E-04    0.549190E+00
 113   -0.101703E+00    0.575843E+01  0.207147E-04 0.207147E-04    0.139392E+00
 114   -0.913823E+00    0.315005E+01 -0.100000E-04 0.100000E-04    0.771920E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2071473675E-04    0.2690917979    

 Beginning of optimization cycle  670.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990212036
 potential> RMS force:                                               0.0861642323   |gradient|=.9199822505    
 Eigenvalues of the Hessian matrix:
   746.92229    673.97226    630.87628    600.57825    586.33394    578.90071 
   564.65059    487.43070    460.52511    459.73756    441.62808    429.46547 
   421.86465    407.84011    396.30040    387.37645    370.06015    360.57872 
   349.29866    335.33896    329.35980    321.81439    319.16854    309.31944 
   300.77995    290.60507    279.08915    272.76515    268.55380    264.97448 
   263.87446    253.17784    241.59380    240.79890    234.06238    227.53993 
   217.18027    214.90099    213.24225    207.70762    202.97230    195.38129 
   194.86508    191.39196    183.00634    174.40445    172.35240    168.23341 
   163.20107    156.85993    154.94454    152.24372    146.62732    143.32194 
   138.12620    135.87301    130.27519    128.85325    126.91136    124.00238 
   120.02310    118.17597    116.81050    110.37848    106.81594    104.46781 
   102.86023     99.50801     96.07755     94.08888     91.94259     91.24504 
    88.38635     85.62824     80.83997     80.54505     77.94253     73.27164 
    72.51948     67.89830     64.72479     61.32047     59.82041     59.40664 
    58.13368     55.85987     52.43915     52.00565     50.27905     46.13086 
    43.37738     40.92362     37.86512     36.18574     32.24410     28.92328 
    28.45654     26.31730     23.32649     21.34265     19.84770     16.44918 
    13.91253     12.24464     10.08589      9.16148      5.75859      3.14974 
overlap for current and previous eigenvector    109 is         0.9999999888
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999578
overlap for current and previous eigenvector    112 is         0.9999999267
overlap for current and previous eigenvector    113 is         0.9999999390
overlap for current and previous eigenvector    114 is         0.9999999688
J1,K1,R1,R2,RAT=   7   7    0.4354105363E-02     1.995635894        0.9956358936    
FOB,PFOB,DIAG,PSTEP=   -0.1760672497E-06   -0.1768372214E-06     746.9222888        0.2367556952E-09
J1,K1,R1,R2,RAT=   8   8   -0.4079459480E-01     2.040798572        0.9592054052    
FOB,PFOB,DIAG,PSTEP=   -0.4092930614E-06   -0.3932505947E-06     673.9722575        0.5834807118E-09
J1,K1,R1,R2,RAT=   9   9   -0.4432154165E-01     2.044312448        0.9556784584    
FOB,PFOB,DIAG,PSTEP=   -0.7211584789E-06   -0.6905520100E-06     630.8762808        0.1094596787E-08
J1,K1,R1,R2,RAT=  10  10    -1.509818456         3.509825829        0.5098184563    
FOB,PFOB,DIAG,PSTEP=   -0.3720394994E-07   -0.1482339583E-07     600.5782527        0.2468178147E-10
J1,K1,R1,R2,RAT=  11  11    -1.053272202         3.053273908        0.5327220223E-01
FOB,PFOB,DIAG,PSTEP=    0.2979236747E-08    0.1450970820E-08     586.3339377       -0.2474647107E-11
J1,K1,R1,R2,RAT= 109 109   -0.3896068559E-01     2.038952085        0.9610393144    
FOB,PFOB,DIAG,PSTEP=   -0.5368535434E-05   -0.5167216280E-05     13.91253084        0.3714089523E-06
J1,K1,R1,R2,RAT= 110 110   -0.1532757561         2.153271964        0.8467242439    
FOB,PFOB,DIAG,PSTEP=    0.9539843514E-05    0.8271951491E-05     12.24463929       -0.6755582565E-06
J1,K1,R1,R2,RAT= 111 111   -0.3266041688         2.326616260        0.6733958312    
FOB,PFOB,DIAG,PSTEP=    0.2523362206E-05    0.1902124252E-05     10.08588565       -0.1885915445E-06
J1,K1,R1,R2,RAT= 112 112    0.4233035301         662.9320485        0.5766964699    
FOB,PFOB,DIAG,PSTEP=   -0.3034778795E-01   -0.3038656879E-01     9.161475430        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8042182650         1705.972410        0.1957817350    
FOB,PFOB,DIAG,PSTEP=   -0.1017987563       -0.1017028229         5.758592694        0.2071473675E-04
J1,K1,R1,R2,RAT= 114 114    0.1837478317        -58025.49904        0.8162521683    
FOB,PFOB,DIAG,PSTEP=   -0.9138289582       -0.9138231706         3.149739613       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03035     -0.10180     -0.91383 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3810453196
 Log product of positive Hessian eigenvalues =          519.0763767689
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1497396128
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=       -0.0000000066
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000160
 Unscaled step for mode   64=       -0.0000000011
 Unscaled step for mode   65=       -0.0000000101
 Unscaled step for mode   66=        0.0000000055
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=       -0.0000000067
 Unscaled step for mode   72=        0.0000000095
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=        0.0000000005
 Unscaled step for mode   75=       -0.0000000015
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=       -0.0000000166
 Unscaled step for mode   78=        0.0000000086
 Unscaled step for mode   79=        0.0000000083
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000152
 Unscaled step for mode   83=       -0.0000000029
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=       -0.0000000288
 Unscaled step for mode   86=       -0.0000000078
 Unscaled step for mode   87=       -0.0000000132
 Unscaled step for mode   88=       -0.0000000169
 Unscaled step for mode   89=       -0.0000000333
 Unscaled step for mode   90=       -0.0000000379
 Unscaled step for mode   91=        0.0000000465
 Unscaled step for mode   92=       -0.0000000647
 Unscaled step for mode   93=       -0.0000000621
 Unscaled step for mode   94=       -0.0000000116
 Unscaled step for mode   95=        0.0000000402
 Unscaled step for mode   96=        0.0000000243
 Unscaled step for mode   97=       -0.0000000702
 Unscaled step for mode   98=       -0.0000000150
 Unscaled step for mode   99=       -0.0000000526
 Unscaled step for mode  100=       -0.0000000433
 Unscaled step for mode  101=       -0.0000003321
 Unscaled step for mode  102=       -0.0000000054
 Unscaled step for mode  103=       -0.0000000885
 Unscaled step for mode  104=       -0.0000000430
 Unscaled step for mode  105=       -0.0000002665
 Unscaled step for mode  106=        0.0000002341
 Unscaled step for mode  107=        0.0000010605
 Unscaled step for mode  108=       -0.0000014275
 Unscaled step for mode  109=        0.0000003859
 Unscaled step for mode  110=       -0.0000007791
 Unscaled step for mode  111=       -0.0000002502
 Unscaled step for mode  112=        0.0033125074
 Unscaled step for mode  113=        0.0176721934
 Unscaled step for mode  114=       -0.2691162781
 Largest modulus ratio of non-zero e/values=           237.1377893    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.126624E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.207348E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.446776E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.941521E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.415466E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.428349E-14    0.974318E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176067E-06    0.746922E+03  0.235724E-09 0.100000E-04    0.995636E+00
   8   -0.409293E-06    0.673972E+03  0.607285E-09 0.100000E-04    0.959205E+00
   9   -0.721158E-06    0.630876E+03  0.114311E-08 0.100000E-04    0.955678E+00
  10   -0.372039E-07    0.600578E+03  0.619469E-10 0.100000E-04    0.509818E+00
  11    0.297924E-08    0.586334E+03 -0.508113E-11 0.109000E-04    0.532722E-01
  12   -0.103331E-05    0.578901E+03  0.178496E-08 0.100000E-04    0.951972E+00
  13    0.473061E-07    0.564651E+03 -0.837794E-10 0.100000E-04    0.931801E+00
  14    0.432728E-06    0.487431E+03 -0.887773E-09 0.100000E-04    0.940063E+00
  15   -0.437425E-06    0.460525E+03  0.949839E-09 0.100000E-04    0.948634E+00
  16   -0.129086E-06    0.459738E+03  0.280781E-09 0.100000E-04    0.801354E+00
  17   -0.602298E-06    0.441628E+03  0.136381E-08 0.100000E-04    0.916837E+00
  18   -0.408720E-06    0.429465E+03  0.951696E-09 0.100000E-04    0.942709E+00
  19   -0.144747E-06    0.421865E+03  0.343112E-09 0.100000E-04    0.820843E+00
  20   -0.371458E-06    0.407840E+03  0.910792E-09 0.100000E-04    0.933211E+00
  21   -0.427759E-06    0.396300E+03  0.107938E-08 0.100000E-04    0.928951E+00
  22   -0.629679E-06    0.387376E+03  0.162550E-08 0.100000E-04    0.995968E+00
  23    0.806720E-06    0.370060E+03 -0.217997E-08 0.100000E-04    0.932820E+00
  24   -0.427135E-06    0.360579E+03  0.118458E-08 0.100000E-04    0.984587E+00
  25   -0.763236E-07    0.349299E+03  0.218505E-09 0.100000E-04    0.703501E+00
  26   -0.481451E-07    0.335339E+03  0.143571E-09 0.100000E-04    0.511900E+00
  27    0.372357E-06    0.329360E+03 -0.113055E-08 0.100000E-04    0.898987E+00
  28   -0.392997E-06    0.321814E+03  0.122119E-08 0.100000E-04    0.906037E+00
  29   -0.822819E-07    0.319169E+03  0.257801E-09 0.100000E-04    0.110866E+01
  30   -0.136127E-05    0.309319E+03  0.440085E-08 0.100000E-04    0.970145E+00
  31   -0.104747E-05    0.300780E+03  0.348251E-08 0.100000E-04    0.963579E+00
  32   -0.124306E-05    0.290605E+03  0.427750E-08 0.100000E-04    0.976125E+00
  33   -0.332064E-07    0.279089E+03  0.118981E-09 0.100000E-04    0.267761E+01
  34   -0.386477E-07    0.272765E+03  0.141688E-09 0.100000E-04    0.483237E+00
  35    0.101548E-05    0.268554E+03 -0.378130E-08 0.100000E-04    0.977233E+00
  36    0.123720E-05    0.264974E+03 -0.466911E-08 0.100000E-04    0.988418E+00
  37   -0.506890E-06    0.263874E+03  0.192095E-08 0.100000E-04    0.904694E+00
  38   -0.134508E-06    0.253178E+03  0.531280E-09 0.100000E-04    0.974795E+00
  39   -0.417841E-06    0.241594E+03  0.172952E-08 0.100000E-04    0.928104E+00
  40   -0.122869E-05    0.240799E+03  0.510255E-08 0.100000E-04    0.990469E+00
  41   -0.984203E-06    0.234062E+03  0.420488E-08 0.100000E-04    0.992067E+00
  42   -0.168461E-05    0.227540E+03  0.740360E-08 0.100000E-04    0.972715E+00
  43    0.195697E-08    0.217180E+03 -0.901083E-11 0.100000E-04    0.780201E+00
  44   -0.194497E-05    0.214901E+03  0.905053E-08 0.100000E-04    0.974991E+00
  45    0.709232E-06    0.213242E+03 -0.332595E-08 0.100000E-04    0.983290E+00
  46    0.107526E-05    0.207708E+03 -0.517679E-08 0.100000E-04    0.986546E+00
  47   -0.744805E-06    0.202972E+03  0.366949E-08 0.100000E-04    0.971815E+00
  48   -0.120701E-05    0.195381E+03  0.617769E-08 0.100000E-04    0.937886E+00
  49    0.968640E-06    0.194865E+03 -0.497082E-08 0.100000E-04    0.955169E+00
  50    0.124296E-05    0.191392E+03 -0.649430E-08 0.100000E-04    0.884014E+00
  51    0.221199E-06    0.183006E+03 -0.120869E-08 0.100000E-04    0.867379E+00
  52   -0.604043E-06    0.174404E+03  0.346346E-08 0.100000E-04    0.938880E+00
  53   -0.138138E-06    0.172352E+03  0.801488E-09 0.100000E-04    0.883808E+00
  54   -0.214611E-06    0.168233E+03  0.127567E-08 0.100000E-04    0.947203E+00
  55   -0.803773E-06    0.163201E+03  0.492504E-08 0.100000E-04    0.988909E+00
  56    0.135355E-05    0.156860E+03 -0.862902E-08 0.100000E-04    0.978173E+00
  57   -0.365686E-06    0.154945E+03  0.236011E-08 0.100000E-04    0.825111E+00
  58   -0.905061E-06    0.152244E+03  0.594482E-08 0.100000E-04    0.995587E+00
  59   -0.616274E-06    0.146627E+03  0.420300E-08 0.100000E-04    0.996599E+00
  60    0.196318E-06    0.143322E+03 -0.136977E-08 0.100000E-04    0.665964E+00
  61    0.906958E-06    0.138126E+03 -0.656616E-08 0.100000E-04    0.805514E+00
  62   -0.937742E-06    0.135873E+03  0.690160E-08 0.100000E-04    0.976727E+00
  63   -0.208225E-05    0.130275E+03  0.159835E-07 0.100000E-04    0.926181E+00
  64    0.143625E-06    0.128853E+03 -0.111464E-08 0.100000E-04    0.595492E+00
  65    0.128269E-05    0.126911E+03 -0.101070E-07 0.100000E-04    0.888794E+00
  66   -0.681461E-06    0.124002E+03  0.549555E-08 0.100000E-04    0.890627E+00
  67    0.185295E-05    0.120023E+03 -0.154383E-07 0.100000E-04    0.967983E+00
  68    0.446340E-06    0.118176E+03 -0.377691E-08 0.100000E-04    0.939538E+00
  69    0.414631E-07    0.116811E+03 -0.354961E-09 0.100000E-04    0.304473E+01
  70    0.132567E-05    0.110378E+03 -0.120102E-07 0.100000E-04    0.952818E+00
  71    0.710899E-06    0.106816E+03 -0.665537E-08 0.100000E-04    0.921021E+00
  72   -0.994684E-06    0.104468E+03  0.952144E-08 0.100000E-04    0.893093E+00
  73    0.137290E-06    0.102860E+03 -0.133473E-08 0.100000E-04    0.681406E+00
  74   -0.527506E-07    0.995080E+02  0.530114E-09 0.100000E-04    0.589314E+00
  75    0.141047E-06    0.960776E+02 -0.146806E-08 0.100000E-04    0.550563E+00
  76    0.163148E-06    0.940889E+02 -0.173398E-08 0.100000E-04    0.858687E+00
  77    0.152462E-05    0.919426E+02 -0.165823E-07 0.100000E-04    0.965473E+00
  78   -0.781813E-06    0.912450E+02  0.856828E-08 0.100000E-04    0.976423E+00
  79   -0.736602E-06    0.883863E+02  0.833389E-08 0.100000E-04    0.988380E+00
  80   -0.559499E-06    0.856282E+02  0.653404E-08 0.100000E-04    0.920685E+00
  81    0.126926E-05    0.808400E+02 -0.157009E-07 0.100000E-04    0.996650E+00
  82   -0.122608E-05    0.805451E+02  0.152223E-07 0.100000E-04    0.938932E+00
  83    0.222580E-06    0.779425E+02 -0.285570E-08 0.100000E-04    0.815931E+00
  84    0.351361E-06    0.732716E+02 -0.479531E-08 0.109000E-04    0.449250E-01
  85    0.208711E-05    0.725195E+02 -0.287800E-07 0.100000E-04    0.892127E+00
  86    0.529551E-06    0.678983E+02 -0.779918E-08 0.100000E-04    0.833825E+00
  87    0.855676E-06    0.647248E+02 -0.132202E-07 0.100000E-04    0.759923E+00
  88    0.103696E-05    0.613205E+02 -0.169104E-07 0.100000E-04    0.958510E+00
  89    0.199393E-05    0.598204E+02 -0.333319E-07 0.100000E-04    0.952218E+00
  90    0.225199E-05    0.594066E+02 -0.379081E-07 0.100000E-04    0.980998E+00
  91   -0.270300E-05    0.581337E+02  0.464964E-07 0.100000E-04    0.931197E+00
  92    0.361381E-05    0.558599E+02 -0.646942E-07 0.100000E-04    0.956273E+00
  93    0.325890E-05    0.524392E+02 -0.621462E-07 0.100000E-04    0.988114E+00
  94    0.601279E-06    0.520056E+02 -0.115618E-07 0.100000E-04    0.864341E+00
  95   -0.202215E-05    0.502791E+02  0.402185E-07 0.100000E-04    0.886429E+00
  96   -0.112280E-05    0.461309E+02  0.243394E-07 0.100000E-04    0.935204E+00
  97    0.304599E-05    0.433774E+02 -0.702206E-07 0.100000E-04    0.887425E+00
  98    0.615080E-06    0.409236E+02 -0.150300E-07 0.100000E-04    0.456631E+00
  99    0.199029E-05    0.378651E+02 -0.525625E-07 0.100000E-04    0.784859E+00
 100    0.156645E-05    0.361857E+02 -0.432892E-07 0.100000E-04    0.894466E+00
 101    0.107078E-04    0.322441E+02 -0.332086E-06 0.100000E-04    0.949046E+00
 102    0.156395E-06    0.289233E+02 -0.540724E-08 0.100000E-04    0.504133E+00
 103    0.251957E-05    0.284565E+02 -0.885410E-07 0.100000E-04    0.965267E+00
 104    0.113139E-05    0.263173E+02 -0.429904E-07 0.100000E-04    0.808420E+00
 105    0.621761E-05    0.233265E+02 -0.266547E-06 0.100000E-04    0.936447E+00
 106   -0.499692E-05    0.213426E+02  0.234128E-06 0.100000E-04    0.971529E+00
 107   -0.210492E-04    0.198477E+02  0.106053E-05 0.100000E-04    0.928916E+00
 108    0.234806E-04    0.164492E+02 -0.142746E-05 0.100000E-04    0.938882E+00
 109   -0.536854E-05    0.139125E+02  0.385878E-06 0.100000E-04    0.961039E+00
 110    0.953984E-05    0.122446E+02 -0.779104E-06 0.100000E-04    0.846724E+00
 111    0.252336E-05    0.100859E+02 -0.250187E-06 0.100000E-04    0.673396E+00
 112   -0.303478E-01    0.916148E+01  0.100000E-04 0.100000E-04    0.576696E+00
 113   -0.101799E+00    0.575859E+01  0.225791E-04 0.225791E-04    0.195782E+00
 114   -0.913829E+00    0.314974E+01 -0.100000E-04 0.100000E-04    0.816252E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2257906306E-04    0.2691162781    

 Beginning of optimization cycle  671.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990146653
 potential> RMS force:                                               0.0861655321   |gradient|=.9199961293    
 Eigenvalues of the Hessian matrix:
   746.92616    673.97077    630.87927    600.57603    586.33338    578.90083 
   564.64635    487.43024    460.52380    459.73702    441.62749    429.46689 
   421.86400    407.83843    396.29980    387.37502    370.06061    360.57891 
   349.29800    335.33965    329.36069    321.81408    319.16933    309.31827 
   300.77943    290.60515    279.09071    272.76563    268.55412    264.97481 
   263.87510    253.17729    241.59423    240.79924    234.06322    227.54032 
   217.18109    214.90112    213.24196    207.70814    202.97188    195.38047 
   194.86550    191.39242    183.00714    174.40522    172.35266    168.23371 
   163.20074    156.85971    154.94507    152.24353    146.62672    143.32151 
   138.12675    135.87301    130.27491    128.85347    126.91155    124.00120 
   120.02328    118.17609    116.81004    110.37874    106.81577    104.46802 
   102.86030     99.50793     96.07733     94.08863     91.94219     91.24527 
    88.38582     85.62856     80.84007     80.54576     77.94228     73.27139 
    72.51886     67.89795     64.72433     61.32004     59.82013     59.40672 
    58.13362     55.85961     52.43904     52.00524     50.27966     46.13041 
    43.37797     40.92373     37.86506     36.18531     32.24372     28.92362 
    28.45661     26.31760     23.32639     21.34288     19.84762     16.44908 
    13.91259     12.24466     10.08582      9.16305      5.75878      3.14942 
overlap for current and previous eigenvector    109 is         0.9999999875
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999510
overlap for current and previous eigenvector    112 is         0.9999999169
overlap for current and previous eigenvector    113 is         0.9999999316
overlap for current and previous eigenvector    114 is         0.9999999641
J1,K1,R1,R2,RAT=   7   7    0.3659755581E-01     1.963392066        0.9633920658    
FOB,PFOB,DIAG,PSTEP=   -0.1696235853E-06   -0.1760672497E-06     746.9261647        0.2357236520E-09
J1,K1,R1,R2,RAT=   8   8   -0.4279084812E-01     2.042795269        0.9572091519    
FOB,PFOB,DIAG,PSTEP=   -0.4268070199E-06   -0.4092930614E-06     673.9707676        0.6072847315E-09
J1,K1,R1,R2,RAT=   9   9   -0.4903583629E-01     2.049026353        0.9509641637    
FOB,PFOB,DIAG,PSTEP=   -0.7565212556E-06   -0.7211584789E-06     630.8792721        0.1143106027E-08
J1,K1,R1,R2,RAT=  10  10   -0.5980933980         2.598100795        0.4019066020    
FOB,PFOB,DIAG,PSTEP=   -0.5945530447E-07   -0.3720394994E-07     600.5760314        0.6194688165E-10
J1,K1,R1,R2,RAT=  11  11    -1.782017853         3.782019764        0.7820178530    
FOB,PFOB,DIAG,PSTEP=    0.8288284747E-08    0.2979236747E-08     586.3333775       -0.5081126225E-11
J1,K1,R1,R2,RAT= 109 109   -0.1734090734E-01     2.017332411        0.9826590927    
FOB,PFOB,DIAG,PSTEP=   -0.5461631105E-05   -0.5368535434E-05     13.91258994        0.3858777024E-06
J1,K1,R1,R2,RAT= 110 110   -0.1461710769         2.146167884        0.8538289231    
FOB,PFOB,DIAG,PSTEP=    0.1093429494E-04    0.9539843514E-05     12.24465885       -0.7791036783E-06
J1,K1,R1,R2,RAT= 111 111   -0.1195984962         2.119610733        0.8804015038    
FOB,PFOB,DIAG,PSTEP=    0.2825150685E-05    0.2523362206E-05     10.08582394       -0.2501874692E-06
J1,K1,R1,R2,RAT= 112 112    0.3935574060         662.0012427        0.6064425940    
FOB,PFOB,DIAG,PSTEP=   -0.3031172608E-01   -0.3034778795E-01     9.163051382        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7762175368         1566.576366        0.2237824632    
FOB,PFOB,DIAG,PSTEP=   -0.1018996861       -0.1017987563         5.758776469        0.2257906306E-04
J1,K1,R1,R2,RAT= 114 114    0.1244696067        -58031.74472        0.8755303933    
FOB,PFOB,DIAG,PSTEP=   -0.9138328783       -0.9138289582         3.149417350       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00001     -0.00002      0.00003 
    -0.00001      0.00001      0.00000     -0.03031     -0.10190     -0.91383 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3810253505
 Log product of positive Hessian eigenvalues =          519.0764460755
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1494173496
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000093
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000017
 Unscaled step for mode   61=       -0.0000000077
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=        0.0000000174
 Unscaled step for mode   64=       -0.0000000020
 Unscaled step for mode   65=       -0.0000000111
 Unscaled step for mode   66=        0.0000000060
 Unscaled step for mode   67=       -0.0000000160
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000126
 Unscaled step for mode   71=       -0.0000000072
 Unscaled step for mode   72=        0.0000000082
 Unscaled step for mode   73=       -0.0000000017
 Unscaled step for mode   74=        0.0000000002
 Unscaled step for mode   75=       -0.0000000002
 Unscaled step for mode   76=       -0.0000000020
 Unscaled step for mode   77=        0.0000000160
 Unscaled step for mode   78=        0.0000000089
 Unscaled step for mode   79=        0.0000000087
 Unscaled step for mode   80=        0.0000000071
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000162
 Unscaled step for mode   83=       -0.0000000021
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=       -0.0000000315
 Unscaled step for mode   86=       -0.0000000091
 Unscaled step for mode   87=       -0.0000000163
 Unscaled step for mode   88=       -0.0000000161
 Unscaled step for mode   89=       -0.0000000346
 Unscaled step for mode   90=       -0.0000000394
 Unscaled step for mode   91=        0.0000000514
 Unscaled step for mode   92=       -0.0000000689
 Unscaled step for mode   93=       -0.0000000641
 Unscaled step for mode   94=       -0.0000000102
 Unscaled step for mode   95=        0.0000000439
 Unscaled step for mode   96=        0.0000000272
 Unscaled step for mode   97=       -0.0000000780
 Unscaled step for mode   98=       -0.0000000197
 Unscaled step for mode   99=       -0.0000000621
 Unscaled step for mode  100=       -0.0000000479
 Unscaled step for mode  101=       -0.0000003570
 Unscaled step for mode  102=       -0.0000000156
 Unscaled step for mode  103=       -0.0000000909
 Unscaled step for mode  104=       -0.0000000235
 Unscaled step for mode  105=       -0.0000002888
 Unscaled step for mode  106=        0.0000002416
 Unscaled step for mode  107=        0.0000011562
 Unscaled step for mode  108=       -0.0000015385
 Unscaled step for mode  109=        0.0000003926
 Unscaled step for mode  110=       -0.0000008930
 Unscaled step for mode  111=       -0.0000002801
 Unscaled step for mode  112=        0.0033080022
 Unscaled step for mode  113=        0.0176891396
 Unscaled step for mode  114=       -0.2691410941
 Largest modulus ratio of non-zero e/values=           237.1632851    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.127968E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.246000E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.453717E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.135883E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.651714E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.410310E-14    0.974319E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.169624E-06    0.746926E+03  0.227096E-09 0.100000E-04    0.963392E+00
   8   -0.426807E-06    0.673971E+03  0.633272E-09 0.100000E-04    0.957209E+00
   9   -0.756521E-06    0.630879E+03  0.119915E-08 0.100000E-04    0.950964E+00
  10   -0.594553E-07    0.600576E+03  0.989971E-10 0.100000E-04    0.401907E+00
  11    0.828828E-08    0.586333E+03 -0.141358E-10 0.100000E-04    0.782018E+00
  12   -0.108213E-05    0.578901E+03  0.186929E-08 0.100000E-04    0.952754E+00
  13    0.445279E-07    0.564646E+03 -0.788598E-10 0.100000E-04    0.941272E+00
  14    0.452379E-06    0.487430E+03 -0.928089E-09 0.100000E-04    0.954588E+00
  15   -0.463251E-06    0.460524E+03  0.100592E-08 0.100000E-04    0.940958E+00
  16   -0.154232E-06    0.459737E+03  0.335478E-09 0.100000E-04    0.805199E+00
  17   -0.652732E-06    0.441627E+03  0.147801E-08 0.100000E-04    0.916264E+00
  18   -0.435412E-06    0.429467E+03  0.101384E-08 0.100000E-04    0.934694E+00
  19   -0.113224E-06    0.421864E+03  0.268390E-09 0.100000E-04    0.782222E+00
  20   -0.396356E-06    0.407838E+03  0.971846E-09 0.100000E-04    0.932970E+00
  21   -0.458756E-06    0.396300E+03  0.115760E-08 0.100000E-04    0.927536E+00
  22   -0.637912E-06    0.387375E+03  0.164676E-08 0.100000E-04    0.986924E+00
  23    0.858940E-06    0.370061E+03 -0.232108E-08 0.100000E-04    0.935268E+00
  24   -0.435512E-06    0.360579E+03  0.120781E-08 0.100000E-04    0.980388E+00
  25   -0.463449E-07    0.349298E+03  0.132680E-09 0.100000E-04    0.607215E+00
  26    0.118683E-07    0.335340E+03 -0.353917E-10 0.100000E-04    0.246508E+00
  27    0.417429E-06    0.329361E+03 -0.126739E-08 0.100000E-04    0.878956E+00
  28   -0.439331E-06    0.321814E+03  0.136517E-08 0.100000E-04    0.882102E+00
  29   -0.168139E-06    0.319169E+03  0.526801E-09 0.109000E-04    0.434430E-01
  30   -0.143241E-05    0.309318E+03  0.463086E-08 0.100000E-04    0.947738E+00
  31   -0.109289E-05    0.300779E+03  0.363354E-08 0.100000E-04    0.956634E+00
  32   -0.128760E-05    0.290605E+03  0.443074E-08 0.100000E-04    0.964175E+00
  33   -0.829024E-07    0.279091E+03  0.297045E-09 0.100000E-04    0.496574E+00
  34    0.174804E-07    0.272766E+03 -0.640857E-10 0.100000E-04    0.452298E+00
  35    0.105254E-05    0.268554E+03 -0.391930E-08 0.100000E-04    0.963505E+00
  36    0.125274E-05    0.264975E+03 -0.472777E-08 0.100000E-04    0.987436E+00
  37   -0.553998E-06    0.263875E+03  0.209947E-08 0.100000E-04    0.907065E+00
  38   -0.131121E-06    0.253177E+03  0.517902E-09 0.100000E-04    0.974817E+00
  39   -0.376904E-06    0.241594E+03  0.156007E-08 0.100000E-04    0.902024E+00
  40   -0.123985E-05    0.240799E+03  0.514888E-08 0.100000E-04    0.990919E+00
  41   -0.966878E-06    0.234063E+03  0.413084E-08 0.100000E-04    0.982390E+00
  42   -0.175988E-05    0.227540E+03  0.773435E-08 0.100000E-04    0.955324E+00
  43   -0.348724E-08    0.217181E+03  0.160568E-10 0.100000E-04    0.218048E+00
  44   -0.199768E-05    0.214901E+03  0.929580E-08 0.100000E-04    0.972900E+00
  45    0.710784E-06    0.213242E+03 -0.333323E-08 0.100000E-04    0.997812E+00
  46    0.107870E-05    0.207708E+03 -0.519337E-08 0.100000E-04    0.996795E+00
  47   -0.760179E-06    0.202972E+03  0.374524E-08 0.100000E-04    0.979359E+00
  48   -0.131019E-05    0.195380E+03  0.670583E-08 0.100000E-04    0.914512E+00
  49    0.100955E-05    0.194865E+03 -0.518075E-08 0.100000E-04    0.957767E+00
  50    0.138612E-05    0.191392E+03 -0.724231E-08 0.100000E-04    0.884818E+00
  51    0.253414E-06    0.183007E+03 -0.138472E-08 0.100000E-04    0.854359E+00
  52   -0.655439E-06    0.174405E+03  0.375814E-08 0.100000E-04    0.914914E+00
  53   -0.118667E-06    0.172353E+03  0.688515E-09 0.100000E-04    0.859044E+00
  54   -0.202552E-06    0.168234E+03  0.120399E-08 0.100000E-04    0.943804E+00
  55   -0.808886E-06    0.163201E+03  0.495639E-08 0.100000E-04    0.993638E+00
  56    0.138723E-05    0.156860E+03 -0.884379E-08 0.100000E-04    0.975112E+00
  57   -0.414721E-06    0.154945E+03  0.267657E-08 0.100000E-04    0.865908E+00
  58   -0.914095E-06    0.152244E+03  0.600416E-08 0.100000E-04    0.990018E+00
  59   -0.620777E-06    0.146627E+03  0.423372E-08 0.100000E-04    0.992694E+00
  60    0.242110E-06    0.143322E+03 -0.168928E-08 0.100000E-04    0.766746E+00
  61    0.106193E-05    0.138127E+03 -0.768805E-08 0.100000E-04    0.829136E+00
  62   -0.975804E-06    0.135873E+03  0.718173E-08 0.100000E-04    0.959411E+00
  63   -0.226494E-05    0.130275E+03  0.173858E-07 0.100000E-04    0.912266E+00
  64    0.260408E-06    0.128853E+03 -0.202096E-08 0.109000E-04    0.186894E+00
  65    0.140902E-05    0.126912E+03 -0.111023E-07 0.100000E-04    0.901515E+00
  66   -0.748959E-06    0.124001E+03  0.603993E-08 0.100000E-04    0.900949E+00
  67    0.192524E-05    0.120023E+03 -0.160406E-07 0.100000E-04    0.960986E+00
  68    0.473947E-06    0.118176E+03 -0.401052E-08 0.100000E-04    0.938148E+00
  69    0.731177E-07    0.116810E+03 -0.625954E-09 0.100000E-04    0.236557E+00
  70    0.139270E-05    0.110379E+03 -0.126175E-07 0.100000E-04    0.949438E+00
  71    0.770437E-06    0.106816E+03 -0.721276E-08 0.100000E-04    0.916250E+00
  72   -0.856351E-06    0.104468E+03  0.819725E-08 0.100000E-04    0.860924E+00
  73    0.173142E-06    0.102860E+03 -0.168327E-08 0.100000E-04    0.738864E+00
  74   -0.219746E-07    0.995079E+02  0.220832E-09 0.100000E-04    0.416575E+00
  75    0.211538E-07    0.960773E+02 -0.220174E-09 0.109000E-04    0.149974E+00
  76    0.185110E-06    0.940886E+02 -0.196740E-08 0.100000E-04    0.865385E+00
  77   -0.147432E-05    0.919422E+02  0.160353E-07 0.100000E-04    0.967012E+00
  78   -0.814493E-06    0.912453E+02  0.892641E-08 0.100000E-04    0.958200E+00
  79   -0.768260E-06    0.883858E+02  0.869212E-08 0.100000E-04    0.957022E+00
  80   -0.605661E-06    0.856286E+02  0.707312E-08 0.100000E-04    0.917493E+00
  81    0.128803E-05    0.808401E+02 -0.159331E-07 0.100000E-04    0.985214E+00
  82   -0.130268E-05    0.805458E+02  0.161731E-07 0.100000E-04    0.937529E+00
  83    0.163422E-06    0.779423E+02 -0.209670E-08 0.100000E-04    0.734214E+00
  84    0.540358E-06    0.732714E+02 -0.737475E-08 0.100000E-04    0.462095E+00
  85    0.228330E-05    0.725189E+02 -0.314856E-07 0.100000E-04    0.906000E+00
  86    0.617698E-06    0.678979E+02 -0.909745E-08 0.100000E-04    0.833543E+00
  87    0.105750E-05    0.647243E+02 -0.163386E-07 0.100000E-04    0.764129E+00
  88    0.989543E-06    0.613200E+02 -0.161374E-07 0.100000E-04    0.954277E+00
  89    0.206853E-05    0.598201E+02 -0.345792E-07 0.100000E-04    0.962582E+00
  90    0.234115E-05    0.594067E+02 -0.394088E-07 0.100000E-04    0.960410E+00
  91   -0.298779E-05    0.581336E+02  0.513953E-07 0.100000E-04    0.894640E+00
  92    0.384952E-05    0.558596E+02 -0.689142E-07 0.100000E-04    0.934775E+00
  93    0.336350E-05    0.524390E+02 -0.641411E-07 0.100000E-04    0.967902E+00
  94    0.529651E-06    0.520052E+02 -0.101846E-07 0.100000E-04    0.880873E+00
  95   -0.220801E-05    0.502797E+02  0.439146E-07 0.100000E-04    0.908089E+00
  96   -0.125680E-05    0.461304E+02  0.272446E-07 0.100000E-04    0.880646E+00
  97    0.338424E-05    0.433780E+02 -0.780175E-07 0.100000E-04    0.888952E+00
  98    0.804571E-06    0.409237E+02 -0.196602E-07 0.100000E-04    0.691926E+00
  99    0.235069E-05    0.378651E+02 -0.620807E-07 0.100000E-04    0.818920E+00
 100    0.173411E-05    0.361853E+02 -0.479229E-07 0.100000E-04    0.892970E+00
 101    0.115122E-04    0.322437E+02 -0.357036E-06 0.100000E-04    0.924882E+00
 102    0.452606E-06    0.289236E+02 -0.156483E-07 0.100000E-04    0.893969E+00
 103    0.258623E-05    0.284566E+02 -0.908833E-07 0.100000E-04    0.973543E+00
 104    0.618231E-06    0.263176E+02 -0.234912E-07 0.100000E-04    0.546416E+00
 105    0.673730E-05    0.233264E+02 -0.288827E-06 0.100000E-04    0.916416E+00
 106   -0.515655E-05    0.213429E+02  0.241605E-06 0.100000E-04    0.968055E+00
 107   -0.229485E-04    0.198476E+02  0.115623E-05 0.100000E-04    0.909766E+00
 108    0.253073E-04    0.164491E+02 -0.153852E-05 0.100000E-04    0.922204E+00
 109   -0.546163E-05    0.139126E+02  0.392568E-06 0.100000E-04    0.982659E+00
 110    0.109343E-04    0.122447E+02 -0.892985E-06 0.100000E-04    0.853829E+00
 111    0.282515E-05    0.100858E+02 -0.280111E-06 0.100000E-04    0.880402E+00
 112   -0.303117E-01    0.916305E+01  0.100000E-04 0.100000E-04    0.606443E+00
 113   -0.101900E+00    0.575878E+01  0.203415E-04 0.203415E-04    0.223782E+00
 114   -0.913833E+00    0.314942E+01 -0.100000E-04 0.100000E-04    0.875530E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2034149825E-04    0.2691410941    

 Beginning of optimization cycle  672.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990079011
 potential> RMS force:                                               0.0861669642   |gradient|=.9200114199    
 Eigenvalues of the Hessian matrix:
   746.92993    673.96951    630.88214    600.57379    586.33289    578.90095 
   564.64238    487.42990    460.52255    459.73649    441.62695    429.46813 
   421.86338    407.83686    396.29926    387.37363    370.06106    360.57907 
   349.29729    335.34028    329.36152    321.81385    319.16997    309.31714 
   300.77885    290.60520    279.09215    272.76608    268.55436    264.97512 
   263.87564    253.17670    241.59456    240.79958    234.06397    227.54062 
   217.18181    214.90126    213.24167    207.70862    202.97148    195.37968 
   194.86585    191.39287    183.00786    174.40594    172.35289    168.23398 
   163.20043    156.85949    154.94558    152.24336    146.62615    143.32112 
   138.12725    135.87300    130.27468    128.85367    126.91175    124.00011 
   120.02347    118.17622    116.80963    110.37897    106.81563    104.46823 
   102.86037     99.50787     96.07713     94.08840     91.94179     91.24547 
    88.38531     85.62885     80.84015     80.54641     77.94206     73.27120 
    72.51830     67.89765     64.72390     61.31960     59.81986     59.40681 
    58.13359     55.85939     52.43894     52.00488     50.28024     46.13001 
    43.37853     40.92384     37.86502     36.18499     32.24336     28.92395 
    28.45666     26.31789     23.32629     21.34313     19.84752     16.44898 
    13.91265     12.24468     10.08576      9.16453      5.75894      3.14911 
overlap for current and previous eigenvector    109 is         0.9999999892
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999589
overlap for current and previous eigenvector    112 is         0.9999999287
overlap for current and previous eigenvector    113 is         0.9999999398
overlap for current and previous eigenvector    114 is         0.9999999688
J1,K1,R1,R2,RAT=   7   7   -0.1098072808E-01     2.010970648        0.9890192719    
FOB,PFOB,DIAG,PSTEP=   -0.1714861851E-06   -0.1696235853E-06     746.9299294        0.2270955193E-09
J1,K1,R1,R2,RAT=   8   8    0.4886170730E-01     1.951142013        0.9511382927    
FOB,PFOB,DIAG,PSTEP=   -0.4059525390E-06   -0.4268070199E-06     673.9695140        0.6332723027E-09
J1,K1,R1,R2,RAT=   9   9    0.5408875102E-01     1.945902143        0.9459021428    
FOB,PFOB,DIAG,PSTEP=   -0.7156017795E-06   -0.7565212556E-06     630.8821446        0.1199153767E-08
J1,K1,R1,R2,RAT=  10  10    0.4763897960         1.523617681        0.5236102040    
FOB,PFOB,DIAG,PSTEP=   -0.3113150999E-07   -0.5945530447E-07     600.5737861        0.9899713170E-10
J1,K1,R1,R2,RAT=  11  11    0.3944657525         1.605535896        0.6055342475    
FOB,PFOB,DIAG,PSTEP=    0.5018842962E-08    0.8288284747E-08     586.3328942       -0.1413578873E-10
J1,K1,R1,R2,RAT= 109 109    0.4900097269E-01     1.950990663        0.9509906626    
FOB,PFOB,DIAG,PSTEP=   -0.5194004749E-05   -0.5461631105E-05     13.91264813        0.3925675326E-06
J1,K1,R1,R2,RAT= 110 110    0.1502948443         1.849701758        0.8497017577    
FOB,PFOB,DIAG,PSTEP=    0.9290923993E-05    0.1093429494E-04     12.24467965       -0.8929848580E-06
J1,K1,R1,R2,RAT= 111 111    0.2443707271         1.755642026        0.7556292729    
FOB,PFOB,DIAG,PSTEP=    0.2134770960E-05    0.2825150685E-05     10.08575963       -0.2801110450E-06
J1,K1,R1,R2,RAT= 112 112    0.4302070637         661.0709020        0.5697929363    
FOB,PFOB,DIAG,PSTEP=   -0.3027229963E-01   -0.3031172608E-01     9.164527667        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8382619508         1740.550634        0.1617380492    
FOB,PFOB,DIAG,PSTEP=   -0.1019978847       -0.1018996861         5.758938654        0.2034149825E-04
J1,K1,R1,R2,RAT= 114 114    0.1824541923        -58037.75856        0.8175458077    
FOB,PFOB,DIAG,PSTEP=   -0.9138386240       -0.9138328783         3.149107663       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000     -0.00002      0.00002 
    -0.00001      0.00001      0.00000     -0.03027     -0.10200     -0.91384 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3810036292
 Log product of positive Hessian eigenvalues =          519.0765099014
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1491076631
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000064
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=       -0.0000000063
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000160
 Unscaled step for mode   64=       -0.0000000011
 Unscaled step for mode   65=       -0.0000000098
 Unscaled step for mode   66=        0.0000000054
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000119
 Unscaled step for mode   71=       -0.0000000066
 Unscaled step for mode   72=        0.0000000096
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=        0.0000000007
 Unscaled step for mode   75=       -0.0000000018
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=       -0.0000000168
 Unscaled step for mode   78=        0.0000000086
 Unscaled step for mode   79=        0.0000000085
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000150
 Unscaled step for mode   83=       -0.0000000029
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000279
 Unscaled step for mode   86=       -0.0000000076
 Unscaled step for mode   87=       -0.0000000131
 Unscaled step for mode   88=       -0.0000000170
 Unscaled step for mode   89=       -0.0000000326
 Unscaled step for mode   90=       -0.0000000383
 Unscaled step for mode   91=        0.0000000473
 Unscaled step for mode   92=       -0.0000000653
 Unscaled step for mode   93=       -0.0000000630
 Unscaled step for mode   94=       -0.0000000124
 Unscaled step for mode   95=        0.0000000388
 Unscaled step for mode   96=        0.0000000253
 Unscaled step for mode   97=       -0.0000000686
 Unscaled step for mode   98=       -0.0000000129
 Unscaled step for mode   99=       -0.0000000503
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=       -0.0000003355
 Unscaled step for mode  102=       -0.0000000058
 Unscaled step for mode  103=       -0.0000000871
 Unscaled step for mode  104=       -0.0000000367
 Unscaled step for mode  105=       -0.0000002681
 Unscaled step for mode  106=        0.0000002324
 Unscaled step for mode  107=        0.0000010652
 Unscaled step for mode  108=       -0.0000014308
 Unscaled step for mode  109=        0.0000003733
 Unscaled step for mode  110=       -0.0000007588
 Unscaled step for mode  111=       -0.0000002117
 Unscaled step for mode  112=        0.0033031674
 Unscaled step for mode  113=        0.0177056773
 Unscaled step for mode  114=       -0.2691654495
 Largest modulus ratio of non-zero e/values=           237.1878034    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.618863E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.159969E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.629447E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.245030E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.507298E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.465329E-14    0.974319E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171486E-06    0.746930E+03  0.229588E-09 0.100000E-04    0.989019E+00
   8   -0.405953E-06    0.673970E+03  0.602331E-09 0.100000E-04    0.951138E+00
   9   -0.715602E-06    0.630882E+03  0.113429E-08 0.100000E-04    0.945902E+00
  10   -0.311315E-07    0.600574E+03  0.518363E-10 0.100000E-04    0.523610E+00
  11    0.501884E-08    0.586333E+03 -0.855972E-11 0.100000E-04    0.605534E+00
  12   -0.102053E-05    0.578901E+03  0.176287E-08 0.100000E-04    0.943068E+00
  13    0.486280E-07    0.564642E+03 -0.861218E-10 0.100000E-04    0.907920E+00
  14    0.421749E-06    0.487430E+03 -0.865250E-09 0.100000E-04    0.932291E+00
  15   -0.434940E-06    0.460523E+03  0.944448E-09 0.100000E-04    0.938885E+00
  16   -0.126365E-06    0.459736E+03  0.274863E-09 0.100000E-04    0.819316E+00
  17   -0.593087E-06    0.441627E+03  0.134296E-08 0.100000E-04    0.908623E+00
  18   -0.405072E-06    0.429468E+03  0.943194E-09 0.100000E-04    0.930312E+00
  19   -0.152964E-06    0.421863E+03  0.362592E-09 0.100000E-04    0.649013E+00
  20   -0.365747E-06    0.407837E+03  0.896796E-09 0.100000E-04    0.922772E+00
  21   -0.421395E-06    0.396299E+03  0.106333E-08 0.100000E-04    0.918560E+00
  22   -0.632631E-06    0.387374E+03  0.163313E-08 0.100000E-04    0.991721E+00
  23    0.792660E-06    0.370061E+03 -0.214197E-08 0.100000E-04    0.922832E+00
  24   -0.425577E-06    0.360579E+03  0.118026E-08 0.100000E-04    0.977186E+00
  25   -0.871781E-07    0.349297E+03  0.249581E-09 0.109000E-04    0.118925E+00
  26   -0.461752E-07    0.335340E+03  0.137697E-09 0.100000E-04    0.189064E+01
  27    0.372690E-06    0.329362E+03 -0.113155E-08 0.100000E-04    0.892820E+00
  28   -0.394228E-06    0.321814E+03  0.122502E-08 0.100000E-04    0.897337E+00
  29   -0.937302E-07    0.319170E+03  0.293669E-09 0.100000E-04    0.557455E+00
  30   -0.137862E-05    0.309317E+03  0.445697E-08 0.100000E-04    0.962445E+00
  31   -0.104479E-05    0.300779E+03  0.347361E-08 0.100000E-04    0.955984E+00
  32   -0.124796E-05    0.290605E+03  0.429434E-08 0.100000E-04    0.969214E+00
  33   -0.313927E-07    0.279092E+03  0.112481E-09 0.100000E-04    0.378663E+00
  34   -0.359200E-07    0.272766E+03  0.131688E-09 0.109000E-04    0.548748E-01
  35    0.101987E-05    0.268554E+03 -0.379764E-08 0.100000E-04    0.968959E+00
  36    0.123375E-05    0.264975E+03 -0.465610E-08 0.100000E-04    0.984840E+00
  37   -0.497548E-06    0.263876E+03  0.188554E-08 0.100000E-04    0.898100E+00
  38   -0.134502E-06    0.253177E+03  0.531256E-09 0.100000E-04    0.974217E+00
  39   -0.420470E-06    0.241595E+03  0.174040E-08 0.100000E-04    0.884411E+00
  40   -0.122309E-05    0.240800E+03  0.507929E-08 0.100000E-04    0.986484E+00
  41   -0.976272E-06    0.234064E+03  0.417096E-08 0.100000E-04    0.990284E+00
  42   -0.169719E-05    0.227541E+03  0.745883E-08 0.100000E-04    0.964375E+00
  43   -0.589549E-09    0.217182E+03  0.271454E-11 0.109000E-04    0.169055E+00
  44   -0.193368E-05    0.214901E+03  0.899799E-08 0.100000E-04    0.967962E+00
  45    0.723004E-06    0.213242E+03 -0.339054E-08 0.100000E-04    0.982807E+00
  46    0.106100E-05    0.207709E+03 -0.510809E-08 0.100000E-04    0.983578E+00
  47   -0.734269E-06    0.202971E+03  0.361760E-08 0.100000E-04    0.965916E+00
  48   -0.121479E-05    0.195380E+03  0.621757E-08 0.100000E-04    0.927185E+00
  49    0.957453E-06    0.194866E+03 -0.491340E-08 0.100000E-04    0.948394E+00
  50    0.121848E-05    0.191393E+03 -0.636636E-08 0.100000E-04    0.879048E+00
  51    0.219712E-06    0.183008E+03 -0.120056E-08 0.100000E-04    0.866997E+00
  52   -0.608319E-06    0.174406E+03  0.348795E-08 0.100000E-04    0.928102E+00
  53   -0.143632E-06    0.172353E+03  0.833360E-09 0.100000E-04    0.789626E+00
  54   -0.218441E-06    0.168234E+03  0.129844E-08 0.100000E-04    0.921554E+00
  55   -0.817591E-06    0.163200E+03  0.500973E-08 0.100000E-04    0.989238E+00
  56    0.134682E-05    0.156859E+03 -0.858618E-08 0.100000E-04    0.970870E+00
  57   -0.344659E-06    0.154946E+03  0.222439E-08 0.100000E-04    0.831056E+00
  58   -0.918385E-06    0.152243E+03  0.603235E-08 0.100000E-04    0.995307E+00
  59   -0.620682E-06    0.146626E+03  0.423309E-08 0.100000E-04    0.999848E+00
  60    0.177912E-06    0.143321E+03 -0.124135E-08 0.100000E-04    0.734840E+00
  61    0.872481E-06    0.138127E+03 -0.631650E-08 0.100000E-04    0.821596E+00
  62   -0.942867E-06    0.135873E+03  0.693933E-08 0.100000E-04    0.966247E+00
  63   -0.207877E-05    0.130275E+03  0.159569E-07 0.100000E-04    0.917807E+00
  64    0.145882E-06    0.128854E+03 -0.113215E-08 0.100000E-04    0.560201E+00
  65    0.124354E-05    0.126912E+03 -0.979843E-08 0.100000E-04    0.882554E+00
  66   -0.665341E-06    0.124000E+03  0.536565E-08 0.100000E-04    0.888353E+00
  67    0.184862E-05    0.120023E+03 -0.154021E-07 0.100000E-04    0.960198E+00
  68    0.441435E-06    0.118176E+03 -0.373540E-08 0.100000E-04    0.931400E+00
  69    0.116750E-07    0.116810E+03 -0.999492E-10 0.109000E-04    0.159671E+00
  70    0.131389E-05    0.110379E+03 -0.119035E-07 0.100000E-04    0.943411E+00
  71    0.702773E-06    0.106816E+03 -0.657930E-08 0.100000E-04    0.912174E+00
  72   -0.100712E-05    0.104468E+03  0.964045E-08 0.100000E-04    0.823940E+00
  73    0.129741E-06    0.102860E+03 -0.126133E-08 0.100000E-04    0.749330E+00
  74   -0.688651E-07    0.995079E+02  0.692056E-09 0.100000E-04    0.113385E+01
  75    0.168300E-06    0.960771E+02 -0.175171E-08 0.100000E-04    0.595602E+01
  76    0.158081E-06    0.940884E+02 -0.168014E-08 0.100000E-04    0.853983E+00
  77    0.154629E-05    0.919418E+02 -0.168181E-07 0.100000E-04    0.951188E+00
  78   -0.786119E-06    0.912455E+02  0.861543E-08 0.100000E-04    0.965160E+00
  79   -0.754501E-06    0.883853E+02  0.853649E-08 0.100000E-04    0.982090E+00
  80   -0.554029E-06    0.856288E+02  0.647012E-08 0.100000E-04    0.914744E+00
  81    0.128022E-05    0.808401E+02 -0.158364E-07 0.100000E-04    0.993931E+00
  82   -0.121184E-05    0.805464E+02  0.150452E-07 0.100000E-04    0.930254E+00
  83    0.225461E-06    0.779421E+02 -0.289268E-08 0.100000E-04    0.620369E+00
  84    0.317695E-06    0.732712E+02 -0.433587E-08 0.100000E-04    0.587932E+00
  85    0.202417E-05    0.725183E+02 -0.279125E-07 0.100000E-04    0.886509E+00
  86    0.515868E-06    0.678977E+02 -0.759772E-08 0.100000E-04    0.835144E+00
  87    0.844979E-06    0.647239E+02 -0.130551E-07 0.100000E-04    0.799031E+00
  88    0.104159E-05    0.613196E+02 -0.169863E-07 0.100000E-04    0.947399E+00
  89    0.195013E-05    0.598199E+02 -0.326000E-07 0.100000E-04    0.942757E+00
  90    0.227820E-05    0.594068E+02 -0.383492E-07 0.100000E-04    0.973111E+00
  91   -0.274871E-05    0.581336E+02  0.472826E-07 0.100000E-04    0.919979E+00
  92    0.364674E-05    0.558594E+02 -0.652842E-07 0.100000E-04    0.947322E+00
  93    0.330552E-05    0.524389E+02 -0.630356E-07 0.100000E-04    0.982762E+00
  94    0.643599E-06    0.520049E+02 -0.123757E-07 0.100000E-04    0.784862E+00
  95   -0.195079E-05    0.502802E+02  0.387984E-07 0.100000E-04    0.883485E+00
  96   -0.116487E-05    0.461300E+02  0.252518E-07 0.100000E-04    0.926846E+00
  97    0.297712E-05    0.433785E+02 -0.686313E-07 0.100000E-04    0.879678E+00
  98    0.527345E-06    0.409238E+02 -0.128860E-07 0.100000E-04    0.655431E+00
  99    0.190566E-05    0.378650E+02 -0.503276E-07 0.100000E-04    0.810680E+00
 100    0.154057E-05    0.361850E+02 -0.425748E-07 0.100000E-04    0.888393E+00
 101    0.108186E-04    0.322434E+02 -0.335530E-06 0.100000E-04    0.939754E+00
 102    0.167100E-06    0.289239E+02 -0.577721E-08 0.100000E-04    0.369179E+00
 103    0.247965E-05    0.284567E+02 -0.871377E-07 0.100000E-04    0.958785E+00
 104    0.965138E-06    0.263179E+02 -0.366723E-07 0.100000E-04    0.438878E+00
 105    0.625405E-05    0.233263E+02 -0.268112E-06 0.100000E-04    0.928273E+00
 106   -0.495924E-05    0.213431E+02  0.232358E-06 0.100000E-04    0.961713E+00
 107   -0.211416E-04    0.198475E+02  0.106520E-05 0.100000E-04    0.921260E+00
 108    0.235355E-04    0.164490E+02 -0.143082E-05 0.100000E-04    0.929986E+00
 109   -0.519400E-05    0.139126E+02  0.373330E-06 0.100000E-04    0.950991E+00
 110    0.929092E-05    0.122447E+02 -0.758772E-06 0.100000E-04    0.849702E+00
 111    0.213477E-05    0.100858E+02 -0.211662E-06 0.100000E-04    0.755629E+00
 112   -0.302723E-01    0.916453E+01  0.100000E-04 0.100000E-04    0.569793E+00
 113   -0.101998E+00    0.575894E+01  0.221722E-04 0.221722E-04    0.161738E+00
 114   -0.913839E+00    0.314911E+01 -0.100000E-04 0.100000E-04    0.817546E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2217223310E-04    0.2691654495    

 Beginning of optimization cycle  673.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2990013250
 potential> RMS force:                                               0.0861682857   |gradient|=.9200255294    
 Eigenvalues of the Hessian matrix:
   746.93378    673.96805    630.88510    600.57157    586.33235    578.90106 
   564.63818    487.42945    460.52126    459.73595    441.62637    429.46951 
   421.86274    407.83521    396.29867    387.37221    370.06152    360.57925 
   349.29662    335.34096    329.36240    321.81355    319.17074    309.31597 
   300.77832    290.60528    279.09370    272.76656    268.55467    264.97545 
   263.87627    253.17614    241.59498    240.79992    234.06480    227.54099 
   217.18262    214.90139    213.24138    207.70913    202.97106    195.37887 
   194.86625    191.39334    183.00864    174.40671    172.35315    168.23428 
   163.20010    156.85928    154.94611    152.24317    146.62555    143.32069 
   138.12779    135.87300    130.27441    128.85388    126.91194    123.99894 
   120.02366    118.17634    116.80917    110.37923    106.81546    104.46844 
   102.86045     99.50779     96.07691     94.08815     91.94139     91.24570 
    88.38479     85.62916     80.84024     80.54710     77.94183     73.27096 
    72.51769     67.89731     64.72344     61.31917     59.81958     59.40688 
    58.13355     55.85914     52.43882     52.00449     50.28084     46.12957 
    43.37911     40.92395     37.86496     36.18458     32.24298     28.92429 
    28.45673     26.31819     23.32619     21.34336     19.84744     16.44887 
    13.91271     12.24470     10.08570      9.16609      5.75912      3.14879 
overlap for current and previous eigenvector    109 is        -0.9999999878
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999518
overlap for current and previous eigenvector    112 is         0.9999999185
overlap for current and previous eigenvector    113 is        -0.9999999334
overlap for current and previous eigenvector    114 is        -0.9999999651
J1,K1,R1,R2,RAT=   7   7    0.5036148646E-02     1.994953553        0.9949535533    
FOB,PFOB,DIAG,PSTEP=   -0.1706225507E-06   -0.1714861851E-06     746.9337754        0.2295880488E-09
J1,K1,R1,R2,RAT=   8   8   -0.4197742523E-01     2.041981765        0.9580225748    
FOB,PFOB,DIAG,PSTEP=   -0.4229933444E-06   -0.4059525390E-06     673.9680518        0.6023307147E-09
J1,K1,R1,R2,RAT=   9   9   -0.4563950882E-01     2.045630125        0.9543604912    
FOB,PFOB,DIAG,PSTEP=   -0.7482616464E-06   -0.7156017795E-06     630.8851046        0.1134287578E-08
J1,K1,R1,R2,RAT=  10  10   -0.7701773933         2.770184782        0.2298226067    
FOB,PFOB,DIAG,PSTEP=   -0.5510820663E-07   -0.3113150999E-07     600.5715675        0.5183627842E-10
J1,K1,R1,R2,RAT=  11  11   -0.3305164593         2.330518328        0.6694835407    
FOB,PFOB,DIAG,PSTEP=    0.6677651618E-08    0.5018842962E-08     586.3323465       -0.8559715839E-11
J1,K1,R1,R2,RAT= 109 109     2.040527238       -0.4053578540E-01    0.9594642146    
FOB,PFOB,DIAG,PSTEP=    0.5404548711E-05   -0.5194004749E-05     13.91270759        0.3733296998E-06
J1,K1,R1,R2,RAT= 110 110     2.146064683       -0.1460681564        0.8539318436    
FOB,PFOB,DIAG,PSTEP=   -0.1064803449E-04    0.9290923993E-05     12.24470092       -0.7587723206E-06
J1,K1,R1,R2,RAT= 111 111     2.311100834       -0.3110887460        0.6889112540    
FOB,PFOB,DIAG,PSTEP=   -0.2798870167E-05    0.2134770960E-05     10.08569867       -0.2116618915E-06
J1,K1,R1,R2,RAT= 112 112    0.4008639725         660.1275613        0.5991360275    
FOB,PFOB,DIAG,PSTEP=   -0.3023555610E-01   -0.3027229963E-01     9.166085357        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1598.338935       -0.7840405779        0.2159594221    
FOB,PFOB,DIAG,PSTEP=    0.1020980008       -0.1019978847         5.759117444        0.2217223310E-04
J1,K1,R1,R2,RAT= 114 114    -58043.98729        0.1346987964        0.8653012036    
FOB,PFOB,DIAG,PSTEP=    0.9138428653       -0.9138386240         3.148786937       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001     -0.00001      0.00002     -0.00002 
     0.00001     -0.00001     -0.00000     -0.03024      0.10210      0.91384 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3809833981
 Log product of positive Hessian eigenvalues =          519.0765782533
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1487869365
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=        0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000071
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000007
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=        0.0000000088
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000042
 Unscaled step for mode   60=       -0.0000000016
 Unscaled step for mode   61=       -0.0000000075
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000171
 Unscaled step for mode   64=       -0.0000000019
 Unscaled step for mode   65=       -0.0000000109
 Unscaled step for mode   66=       -0.0000000059
 Unscaled step for mode   67=       -0.0000000159
 Unscaled step for mode   68=        0.0000000040
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000125
 Unscaled step for mode   71=       -0.0000000071
 Unscaled step for mode   72=       -0.0000000084
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=       -0.0000000005
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000162
 Unscaled step for mode   78=        0.0000000088
 Unscaled step for mode   79=       -0.0000000086
 Unscaled step for mode   80=       -0.0000000070
 Unscaled step for mode   81=        0.0000000159
 Unscaled step for mode   82=        0.0000000160
 Unscaled step for mode   83=       -0.0000000022
 Unscaled step for mode   84=       -0.0000000068
 Unscaled step for mode   85=       -0.0000000309
 Unscaled step for mode   86=       -0.0000000088
 Unscaled step for mode   87=       -0.0000000158
 Unscaled step for mode   88=        0.0000000162
 Unscaled step for mode   89=        0.0000000342
 Unscaled step for mode   90=       -0.0000000391
 Unscaled step for mode   91=        0.0000000505
 Unscaled step for mode   92=        0.0000000682
 Unscaled step for mode   93=       -0.0000000638
 Unscaled step for mode   94=       -0.0000000104
 Unscaled step for mode   95=       -0.0000000432
 Unscaled step for mode   96=       -0.0000000269
 Unscaled step for mode   97=        0.0000000762
 Unscaled step for mode   98=       -0.0000000185
 Unscaled step for mode   99=        0.0000000603
 Unscaled step for mode  100=        0.0000000470
 Unscaled step for mode  101=       -0.0000003530
 Unscaled step for mode  102=       -0.0000000139
 Unscaled step for mode  103=        0.0000000903
 Unscaled step for mode  104=        0.0000000255
 Unscaled step for mode  105=        0.0000002853
 Unscaled step for mode  106=        0.0000002392
 Unscaled step for mode  107=       -0.0000011413
 Unscaled step for mode  108=        0.0000015195
 Unscaled step for mode  109=       -0.0000003885
 Unscaled step for mode  110=        0.0000008696
 Unscaled step for mode  111=        0.0000002775
 Unscaled step for mode  112=        0.0032985976
 Unscaled step for mode  113=       -0.0177224955
 Unscaled step for mode  114=        0.2691902418
 Largest modulus ratio of non-zero e/values=           237.2131841    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.534186E-15    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.198501E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.172393E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.637511E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.598344E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.460607E-14    0.974319E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170623E-06    0.746934E+03  0.228431E-09 0.100000E-04    0.994954E+00
   8   -0.422993E-06    0.673968E+03  0.627616E-09 0.100000E-04    0.958023E+00
   9   -0.748262E-06    0.630885E+03  0.118605E-08 0.100000E-04    0.954360E+00
  10   -0.551082E-07    0.600572E+03  0.917596E-10 0.100000E-04    0.229823E+00
  11    0.667765E-08    0.586332E+03 -0.113889E-10 0.100000E-04    0.669484E+00
  12   -0.107100E-05    0.578901E+03  0.185006E-08 0.100000E-04    0.950543E+00
  13    0.448708E-07    0.564638E+03 -0.794683E-10 0.100000E-04    0.922735E+00
  14    0.447928E-06    0.487429E+03 -0.918959E-09 0.100000E-04    0.937928E+00
  15   -0.457800E-06    0.460521E+03  0.994091E-09 0.100000E-04    0.947440E+00
  16   -0.149336E-06    0.459736E+03  0.324830E-09 0.100000E-04    0.818213E+00
  17   -0.642718E-06    0.441626E+03  0.145534E-08 0.100000E-04    0.916317E+00
  18   -0.428623E-06    0.429470E+03  0.998028E-09 0.100000E-04    0.941860E+00
  19   -0.119030E-06    0.421863E+03  0.282154E-09 0.100000E-04    0.778157E+00
  20   -0.390545E-06    0.407835E+03  0.957606E-09 0.100000E-04    0.932197E+00
  21   -0.451650E-06    0.396299E+03  0.113967E-08 0.100000E-04    0.928202E+00
  22   -0.635231E-06    0.387372E+03  0.163985E-08 0.100000E-04    0.995889E+00
  23    0.846819E-06    0.370062E+03 -0.228832E-08 0.100000E-04    0.931674E+00
  24   -0.432317E-06    0.360579E+03  0.119895E-08 0.100000E-04    0.984161E+00
  25   -0.528362E-07    0.349297E+03  0.151264E-09 0.100000E-04    0.606071E+00
  26    0.349919E-08    0.335341E+03 -0.104347E-10 0.109000E-04    0.757785E-01
  27    0.409573E-06    0.329362E+03 -0.124353E-08 0.100000E-04    0.901037E+00
  28   -0.430611E-06    0.321814E+03  0.133808E-08 0.100000E-04    0.907709E+00
  29   -0.154097E-06    0.319171E+03  0.482805E-09 0.100000E-04    0.355950E+00
  30   -0.142157E-05    0.309316E+03  0.459585E-08 0.100000E-04    0.968842E+00
  31   -0.108436E-05    0.300778E+03  0.360519E-08 0.100000E-04    0.962124E+00
  32   -0.127918E-05    0.290605E+03  0.440178E-08 0.100000E-04    0.974980E+00
  33   -0.749182E-07    0.279094E+03  0.268434E-09 0.100000E-04    0.386477E+00
  34    0.881848E-08    0.272767E+03 -0.323298E-10 0.100000E-04    0.245501E+00
  35    0.104398E-05    0.268555E+03 -0.388739E-08 0.100000E-04    0.976367E+00
  36    0.124885E-05    0.264975E+03 -0.471307E-08 0.100000E-04    0.987763E+00
  37   -0.544832E-06    0.263876E+03  0.206472E-08 0.100000E-04    0.904967E+00
  38   -0.130618E-06    0.253176E+03  0.515918E-09 0.100000E-04    0.971126E+00
  39   -0.385541E-06    0.241595E+03  0.159582E-08 0.100000E-04    0.916926E+00
  40   -0.123547E-05    0.240800E+03  0.513068E-08 0.100000E-04    0.989882E+00
  41   -0.967467E-06    0.234065E+03  0.413333E-08 0.100000E-04    0.990974E+00
  42   -0.174546E-05    0.227541E+03  0.767097E-08 0.100000E-04    0.971556E+00
  43   -0.106555E-08    0.217183E+03  0.490624E-11 0.118810E-04    0.192603E+00
  44   -0.198423E-05    0.214901E+03  0.923323E-08 0.100000E-04    0.973855E+00
  45    0.710132E-06    0.213241E+03 -0.333018E-08 0.100000E-04    0.982196E+00
  46    0.107595E-05    0.207709E+03 -0.518009E-08 0.100000E-04    0.985902E+00
  47   -0.756064E-06    0.202971E+03  0.372499E-08 0.100000E-04    0.970317E+00
  48   -0.129066E-05    0.195379E+03  0.660592E-08 0.100000E-04    0.937545E+00
  49    0.100211E-05    0.194866E+03 -0.514254E-08 0.100000E-04    0.953362E+00
  50    0.135693E-05    0.191393E+03 -0.708977E-08 0.100000E-04    0.886367E+00
  51    0.247606E-06    0.183009E+03 -0.135298E-08 0.100000E-04    0.873039E+00
  52   -0.645738E-06    0.174407E+03  0.370249E-08 0.100000E-04    0.938488E+00
  53    0.124490E-06    0.172353E+03 -0.722298E-09 0.100000E-04    0.866728E+00
  54    0.205737E-06    0.168234E+03 -0.122292E-08 0.100000E-04    0.941840E+00
  55    0.808194E-06    0.163200E+03 -0.495216E-08 0.100000E-04    0.988506E+00
  56   -0.137744E-05    0.156859E+03  0.878139E-08 0.100000E-04    0.977266E+00
  57   -0.402667E-06    0.154946E+03  0.259875E-08 0.100000E-04    0.831696E+00
  58    0.914500E-06    0.152243E+03 -0.600684E-08 0.100000E-04    0.995769E+00
  59    0.618306E-06    0.146626E+03 -0.421691E-08 0.100000E-04    0.996172E+00
  60    0.230243E-06    0.143321E+03 -0.160649E-08 0.100000E-04    0.705861E+00
  61    0.103067E-05    0.138128E+03 -0.746173E-08 0.100000E-04    0.818688E+00
  62   -0.965556E-06    0.135873E+03  0.710632E-08 0.100000E-04    0.975936E+00
  63   -0.223287E-05    0.130274E+03  0.171397E-07 0.100000E-04    0.925873E+00
  64    0.241144E-06    0.128854E+03 -0.187145E-08 0.100000E-04    0.346992E+00
  65    0.138060E-05    0.126912E+03 -0.108784E-07 0.100000E-04    0.889781E+00
  66    0.737453E-06    0.123999E+03 -0.594726E-08 0.100000E-04    0.891614E+00
  67    0.191008E-05    0.120024E+03 -0.159142E-07 0.100000E-04    0.966751E+00
  68   -0.468701E-06    0.118176E+03  0.396611E-08 0.100000E-04    0.938235E+00
  69    0.644297E-07    0.116809E+03 -0.551581E-09 0.100000E-04    0.351861E+01
  70    0.137771E-05    0.110379E+03 -0.124816E-07 0.100000E-04    0.951432E+00
  71    0.758797E-06    0.106815E+03 -0.710382E-08 0.100000E-04    0.920280E+00
  72    0.878702E-06    0.104468E+03 -0.841117E-08 0.100000E-04    0.872486E+00
  73   -0.165219E-06    0.102860E+03  0.160624E-08 0.100000E-04    0.726543E+00
  74    0.300249E-07    0.995078E+02 -0.301734E-09 0.100000E-04    0.435996E+00
  75    0.449159E-07    0.960769E+02 -0.467500E-09 0.100000E-04    0.266879E+00
  76    0.179642E-06    0.940882E+02 -0.190929E-08 0.100000E-04    0.863609E+00
  77   -0.148846E-05    0.919414E+02  0.161893E-07 0.100000E-04    0.962605E+00
  78   -0.805367E-06    0.912457E+02  0.882636E-08 0.100000E-04    0.975515E+00
  79    0.763898E-06    0.883848E+02 -0.864286E-08 0.100000E-04    0.987545E+00
  80    0.598289E-06    0.856292E+02 -0.698698E-08 0.100000E-04    0.920112E+00
  81   -0.128493E-05    0.808402E+02  0.158947E-07 0.100000E-04    0.996314E+00
  82   -0.128767E-05    0.805471E+02  0.159865E-07 0.100000E-04    0.937427E+00
  83    0.170986E-06    0.779418E+02 -0.219377E-08 0.100000E-04    0.758383E+00
  84    0.501472E-06    0.732710E+02 -0.684407E-08 0.100000E-04    0.421527E+00
  85    0.224172E-05    0.725177E+02 -0.309127E-07 0.100000E-04    0.892522E+00
  86    0.596277E-06    0.678973E+02 -0.878204E-08 0.100000E-04    0.844127E+00
  87    0.102384E-05    0.647234E+02 -0.158187E-07 0.100000E-04    0.788321E+00
  88   -0.993450E-06    0.613192E+02  0.162013E-07 0.100000E-04    0.953779E+00
  89   -0.204648E-05    0.598196E+02  0.342108E-07 0.100000E-04    0.950591E+00
  90    0.232291E-05    0.594069E+02 -0.391017E-07 0.100000E-04    0.980377E+00
  91   -0.293684E-05    0.581335E+02  0.505189E-07 0.100000E-04    0.931554E+00
  92   -0.381037E-05    0.558591E+02  0.682138E-07 0.100000E-04    0.955130E+00
  93    0.334762E-05    0.524388E+02 -0.638387E-07 0.100000E-04    0.987262E+00
  94    0.542447E-06    0.520045E+02 -0.104308E-07 0.100000E-04    0.842832E+00
  95    0.217130E-05    0.502808E+02 -0.431835E-07 0.100000E-04    0.886965E+00
  96    0.124000E-05    0.461296E+02 -0.268807E-07 0.100000E-04    0.935502E+00
  97   -0.330610E-05    0.433791E+02  0.762142E-07 0.100000E-04    0.889499E+00
  98    0.758087E-06    0.409240E+02 -0.185243E-07 0.100000E-04    0.562446E+00
  99   -0.228420E-05    0.378650E+02  0.603249E-07 0.100000E-04    0.801357E+00
 100   -0.170102E-05    0.361846E+02  0.470096E-07 0.100000E-04    0.895847E+00
 101    0.113807E-04    0.322430E+02 -0.352967E-06 0.100000E-04    0.948044E+00
 102    0.403306E-06    0.289243E+02 -0.139435E-07 0.100000E-04    0.413550E+00
 103   -0.256948E-05    0.284567E+02  0.902944E-07 0.100000E-04    0.963771E+00
 104   -0.669981E-06    0.263182E+02  0.254570E-07 0.100000E-04    0.694162E+00
 105   -0.665556E-05    0.233262E+02  0.285325E-06 0.100000E-04    0.935801E+00
 106   -0.510615E-05    0.213434E+02  0.239238E-06 0.100000E-04    0.970376E+00
 107    0.226517E-04    0.198474E+02 -0.114129E-05 0.100000E-04    0.928570E+00
 108   -0.249944E-04    0.164489E+02  0.151952E-05 0.100000E-04    0.938012E+00
 109    0.540455E-05    0.139127E+02 -0.388461E-06 0.100000E-04    0.959464E+00
 110   -0.106480E-04    0.122447E+02  0.869603E-06 0.100000E-04    0.853932E+00
 111   -0.279887E-05    0.100857E+02  0.277509E-06 0.100000E-04    0.688911E+00
 112   -0.302356E-01    0.916609E+01  0.100000E-04 0.100000E-04    0.599136E+00
 113    0.102098E+00    0.575912E+01 -0.199750E-04 0.199750E-04    0.215959E+00
 114    0.913843E+00    0.314879E+01  0.100000E-04 0.100000E-04    0.865301E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1997498477E-04    0.2691902418    

 Beginning of optimization cycle  674.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989945266
 potential> RMS force:                                               0.0861697373   |gradient|=.9200410284    
 Eigenvalues of the Hessian matrix:
   746.93751    673.96682    630.88795    600.56933    586.33188    578.90117 
   564.63427    487.42912    460.52001    459.73543    441.62585    429.47072 
   421.86213    407.83365    396.29812    387.37083    370.06197    360.57940 
   349.29590    335.34158    329.36322    321.81332    319.17135    309.31485 
   300.77773    290.60533    279.09511    272.76701    268.55490    264.97576 
   263.87679    253.17554    241.59530    240.80025    234.06554    227.54128 
   217.18333    214.90152    213.24110    207.70960    202.97067    195.37809 
   194.86660    191.39378    183.00935    174.40742    172.35338    168.23455 
   163.19979    156.85906    154.94661    152.24299    146.62499    143.32031 
   138.12829    135.87299    130.27419    128.85408    126.91214    123.99786 
   120.02384    118.17647    116.80877    110.37946    106.81532    104.46866 
   102.86053     99.50773     96.07672     94.08794     91.94099     91.24590 
    88.38429     85.62944     80.84032     80.54775     77.94161     73.27077 
    72.51714     67.89703     64.72302     61.31874     59.81931     59.40698 
    58.13352     55.85892     52.43873     52.00413     50.28141     46.12917 
    43.37966     40.92406     37.86492     36.18427     32.24262     28.92461 
    28.45678     26.31847     23.32609     21.34361     19.84734     16.44878 
    13.91277     12.24472     10.08563      9.16755      5.75928      3.14848 
overlap for current and previous eigenvector    109 is        -0.9999999894
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999595
overlap for current and previous eigenvector    112 is        -0.9999999301
overlap for current and previous eigenvector    113 is         0.9999999413
overlap for current and previous eigenvector    114 is         0.9999999697
J1,K1,R1,R2,RAT=   7   7   -0.1218836995E-01     2.012178378        0.9878116301    
FOB,PFOB,DIAG,PSTEP=   -0.1727021719E-06   -0.1706225507E-06     746.9375071        0.2284306271E-09
J1,K1,R1,R2,RAT=   8   8    0.4833547327E-01     1.951668167        0.9516645267    
FOB,PFOB,DIAG,PSTEP=   -0.4025477982E-06   -0.4229933444E-06     673.9668250        0.6276163141E-09
J1,K1,R1,R2,RAT=   9   9    0.5309378593E-01     1.946897195        0.9468971946    
FOB,PFOB,DIAG,PSTEP=   -0.7085334236E-06   -0.7482616464E-06     630.8879498        0.1186050583E-08
J1,K1,R1,R2,RAT=  10  10    0.5046606008         1.495346861        0.4953393992    
FOB,PFOB,DIAG,PSTEP=   -0.2729736971E-07   -0.5510820663E-07     600.5693269        0.9175959971E-10
J1,K1,R1,R2,RAT=  11  11    0.4703097779         1.529691825        0.5296902221    
FOB,PFOB,DIAG,PSTEP=    0.3537089286E-08    0.6677651618E-08     586.3318766       -0.1138885081E-10
J1,K1,R1,R2,RAT= 109 109     1.955395142        0.4459647391E-01    0.9553951418    
FOB,PFOB,DIAG,PSTEP=   -0.5163523885E-05    0.5404548711E-05     13.91276591       -0.3884613169E-06
J1,K1,R1,R2,RAT= 110 110    0.1516774692         1.848319015        0.8483190148    
FOB,PFOB,DIAG,PSTEP=   -0.9032964726E-05   -0.1064803449E-04     12.24472244        0.8696034768E-06
J1,K1,R1,R2,RAT= 111 111    0.2346876448         1.765325010        0.7653123552    
FOB,PFOB,DIAG,PSTEP=   -0.2142014076E-05   -0.2798870167E-05     10.08563485        0.2775088032E-06
J1,K1,R1,R2,RAT= 112 112     659.1849512        0.4366258095        0.5633741905    
FOB,PFOB,DIAG,PSTEP=    0.3019552823E-01   -0.3023555610E-01     9.167546106        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8442242903         1775.821952        0.1557757097    
FOB,PFOB,DIAG,PSTEP=    0.1021951216        0.1020980008         5.759275699       -0.1997498477E-04
J1,K1,R1,R2,RAT= 114 114    0.1928469635        -58049.99563        0.8071530365    
FOB,PFOB,DIAG,PSTEP=    0.9138489371        0.9138428653         3.148478794        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001     -0.00000 
     0.00000     -0.00000     -0.00001     -0.00000      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.03020      0.10220      0.91385 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3809614350
 Log product of positive Hessian eigenvalues =          519.0766412608
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1484787942
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=        0.0000000085
 Unscaled step for mode   57=       -0.0000000022
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=       -0.0000000061
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=       -0.0000000157
 Unscaled step for mode   64=       -0.0000000010
 Unscaled step for mode   65=        0.0000000096
 Unscaled step for mode   66=        0.0000000053
 Unscaled step for mode   67=        0.0000000153
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000118
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=       -0.0000000099
 Unscaled step for mode   73=        0.0000000012
 Unscaled step for mode   74=        0.0000000007
 Unscaled step for mode   75=       -0.0000000020
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=        0.0000000085
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000148
 Unscaled step for mode   83=        0.0000000030
 Unscaled step for mode   84=       -0.0000000039
 Unscaled step for mode   85=       -0.0000000274
 Unscaled step for mode   86=        0.0000000073
 Unscaled step for mode   87=       -0.0000000125
 Unscaled step for mode   88=        0.0000000170
 Unscaled step for mode   89=        0.0000000323
 Unscaled step for mode   90=       -0.0000000381
 Unscaled step for mode   91=        0.0000000463
 Unscaled step for mode   92=        0.0000000645
 Unscaled step for mode   93=        0.0000000626
 Unscaled step for mode   94=        0.0000000126
 Unscaled step for mode   95=       -0.0000000382
 Unscaled step for mode   96=       -0.0000000247
 Unscaled step for mode   97=        0.0000000671
 Unscaled step for mode   98=       -0.0000000121
 Unscaled step for mode   99=       -0.0000000486
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=       -0.0000003308
 Unscaled step for mode  102=        0.0000000040
 Unscaled step for mode  103=       -0.0000000866
 Unscaled step for mode  104=        0.0000000397
 Unscaled step for mode  105=        0.0000002641
 Unscaled step for mode  106=        0.0000002304
 Unscaled step for mode  107=       -0.0000010477
 Unscaled step for mode  108=        0.0000014101
 Unscaled step for mode  109=        0.0000003711
 Unscaled step for mode  110=        0.0000007377
 Unscaled step for mode  111=        0.0000002124
 Unscaled step for mode  112=       -0.0032937059
 Unscaled step for mode  113=       -0.0177388563
 Unscaled step for mode  114=        0.2692145738
 Largest modulus ratio of non-zero e/values=           237.2375855    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.176627E-14    0.101907E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.223535E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.807839E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.710369E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.341795E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.477909E-14    0.974320E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172702E-06    0.746938E+03  0.231214E-09 0.100000E-04    0.987812E+00
   8   -0.402548E-06    0.673967E+03  0.597281E-09 0.100000E-04    0.951665E+00
   9   -0.708533E-06    0.630888E+03  0.112307E-08 0.100000E-04    0.946897E+00
  10   -0.272974E-07    0.600569E+03  0.454525E-10 0.100000E-04    0.495339E+00
  11    0.353709E-08    0.586332E+03 -0.603257E-11 0.100000E-04    0.529690E+00
  12   -0.101079E-05    0.578901E+03  0.174605E-08 0.100000E-04    0.943784E+00
  13    0.490235E-07    0.564634E+03 -0.868235E-10 0.100000E-04    0.907451E+00
  14    0.417728E-06    0.487429E+03 -0.857003E-09 0.100000E-04    0.932579E+00
  15   -0.430087E-06    0.460520E+03  0.933916E-09 0.100000E-04    0.939464E+00
  16   -0.121921E-06    0.459735E+03  0.265198E-09 0.100000E-04    0.816420E+00
  17   -0.584410E-06    0.441626E+03  0.132331E-08 0.100000E-04    0.909278E+00
  18   -0.399653E-06    0.429471E+03  0.930570E-09 0.100000E-04    0.932406E+00
  19   -0.158701E-06    0.421862E+03  0.376192E-09 0.100000E-04    0.666718E+00
  20   -0.360685E-06    0.407834E+03  0.884393E-09 0.100000E-04    0.923542E+00
  21   -0.415452E-06    0.396298E+03  0.104833E-08 0.100000E-04    0.919853E+00
  22   -0.630274E-06    0.387371E+03  0.162706E-08 0.100000E-04    0.992197E+00
  23    0.782393E-06    0.370062E+03 -0.211422E-08 0.100000E-04    0.923918E+00
  24   -0.423565E-06    0.360579E+03  0.117468E-08 0.100000E-04    0.979755E+00
  25   -0.926272E-07    0.349296E+03  0.265183E-09 0.100000E-04    0.246895E+00
  26   -0.566155E-07    0.335342E+03  0.168829E-09 0.100000E-04    0.141796E+02
  27    0.364570E-06    0.329363E+03 -0.110689E-08 0.100000E-04    0.890116E+00
  28   -0.385772E-06    0.321813E+03  0.119874E-08 0.100000E-04    0.895869E+00
  29   -0.784125E-07    0.319171E+03  0.245675E-09 0.100000E-04    0.508848E+00
  30   -0.136440E-05    0.309315E+03  0.441102E-08 0.100000E-04    0.959780E+00
  31   -0.103616E-05    0.300778E+03  0.344495E-08 0.100000E-04    0.955551E+00
  32   -0.123915E-05    0.290605E+03  0.426403E-08 0.100000E-04    0.968705E+00
  33   -0.227382E-07    0.279095E+03  0.814712E-10 0.100000E-04    0.303501E+00
  34   -0.457497E-07    0.272767E+03  0.167725E-09 0.100000E-04    0.318793E+01
  35    0.101158E-05    0.268555E+03 -0.376676E-08 0.100000E-04    0.968968E+00
  36    0.122912E-05    0.264976E+03 -0.463862E-08 0.100000E-04    0.984202E+00
  37   -0.489120E-06    0.263877E+03  0.185359E-08 0.100000E-04    0.897742E+00
  38   -0.134661E-06    0.253176E+03  0.531889E-09 0.100000E-04    0.969046E+00
  39   -0.429555E-06    0.241595E+03  0.177800E-08 0.100000E-04    0.885839E+00
  40   -0.121849E-05    0.240800E+03  0.506015E-08 0.100000E-04    0.986253E+00
  41   -0.978138E-06    0.234066E+03  0.417891E-08 0.100000E-04    0.988970E+00
  42   -0.168144E-05    0.227541E+03  0.738961E-08 0.100000E-04    0.963320E+00
  43    0.124601E-08    0.217183E+03 -0.573714E-11 0.107036E-04    0.830641E+00
  44   -0.192136E-05    0.214902E+03  0.894065E-08 0.100000E-04    0.968311E+00
  45    0.722774E-06    0.213241E+03 -0.338947E-08 0.100000E-04    0.982198E+00
  46    0.105934E-05    0.207710E+03 -0.510009E-08 0.100000E-04    0.984553E+00
  47   -0.730485E-06    0.202971E+03  0.359897E-08 0.100000E-04    0.966167E+00
  48   -0.119547E-05    0.195378E+03  0.611876E-08 0.100000E-04    0.926251E+00
  49    0.950067E-06    0.194867E+03 -0.487548E-08 0.100000E-04    0.948066E+00
  50    0.118992E-05    0.191394E+03 -0.621713E-08 0.100000E-04    0.876914E+00
  51    0.213736E-06    0.183009E+03 -0.116790E-08 0.100000E-04    0.863203E+00
  52   -0.599060E-06    0.174407E+03  0.343483E-08 0.100000E-04    0.927705E+00
  53   -0.148295E-06    0.172353E+03  0.860412E-09 0.100000E-04    0.808785E+00
  54    0.220119E-06    0.168235E+03 -0.130840E-08 0.100000E-04    0.930098E+00
  55   -0.814692E-06    0.163200E+03  0.499199E-08 0.100000E-04    0.991960E+00
  56   -0.133997E-05    0.156859E+03  0.854252E-08 0.100000E-04    0.972796E+00
  57    0.335724E-06    0.154947E+03 -0.216671E-08 0.100000E-04    0.833746E+00
  58    0.915972E-06    0.152243E+03 -0.601651E-08 0.100000E-04    0.998391E+00
  59   -0.618567E-06    0.146625E+03  0.421870E-08 0.100000E-04    0.999578E+00
  60    0.169606E-06    0.143320E+03 -0.118340E-08 0.100000E-04    0.736638E+00
  61    0.842971E-06    0.138128E+03 -0.610281E-08 0.100000E-04    0.817878E+00
  62   -0.935333E-06    0.135873E+03  0.688388E-08 0.100000E-04    0.968699E+00
  63    0.204576E-05    0.130274E+03 -0.157035E-07 0.100000E-04    0.916201E+00
  64    0.126098E-06    0.128854E+03 -0.978613E-09 0.100000E-04    0.522915E+00
  65   -0.121908E-05    0.126912E+03  0.960572E-08 0.100000E-04    0.883007E+00
  66   -0.654137E-06    0.123998E+03  0.527539E-08 0.100000E-04    0.887020E+00
  67   -0.183408E-05    0.120024E+03  0.152810E-07 0.100000E-04    0.960205E+00
  68   -0.436063E-06    0.118176E+03  0.368993E-08 0.100000E-04    0.930362E+00
  69   -0.577890E-08    0.116809E+03  0.494732E-10 0.109000E-04    0.896899E-01
  70    0.130017E-05    0.110379E+03 -0.117791E-07 0.100000E-04    0.943716E+00
  71   -0.692145E-06    0.106815E+03  0.647983E-08 0.100000E-04    0.912161E+00
  72    0.103110E-05    0.104469E+03 -0.986997E-08 0.100000E-04    0.826562E+00
  73   -0.122491E-06    0.102861E+03  0.119084E-08 0.100000E-04    0.741384E+00
  74   -0.740650E-07    0.995077E+02  0.744315E-09 0.100000E-04    0.466786E+00
  75    0.188371E-06    0.960767E+02 -0.196063E-08 0.100000E-04    0.219386E+01
  76    0.152423E-06    0.940879E+02 -0.162001E-08 0.100000E-04    0.848483E+00
  77   -0.155475E-05    0.919410E+02  0.169103E-07 0.100000E-04    0.955466E+00
  78   -0.777863E-06    0.912459E+02  0.852491E-08 0.100000E-04    0.965845E+00
  79    0.749388E-06    0.883843E+02 -0.847874E-08 0.100000E-04    0.981005E+00
  80   -0.547133E-06    0.856294E+02  0.638954E-08 0.100000E-04    0.914489E+00
  81    0.127592E-05    0.808403E+02 -0.157833E-07 0.100000E-04    0.992986E+00
  82   -0.119611E-05    0.805477E+02  0.148497E-07 0.100000E-04    0.928878E+00
  83   -0.234402E-06    0.779416E+02  0.300740E-08 0.100000E-04    0.629119E+00
  84    0.282514E-06    0.732708E+02 -0.385575E-08 0.100000E-04    0.563368E+00
  85    0.198841E-05    0.725171E+02 -0.274199E-07 0.100000E-04    0.887003E+00
  86   -0.498031E-06    0.678970E+02  0.733510E-08 0.100000E-04    0.835234E+00
  87    0.806797E-06    0.647230E+02 -0.124654E-07 0.100000E-04    0.788008E+00
  88   -0.104311E-05    0.613187E+02  0.170113E-07 0.100000E-04    0.950010E+00
  89   -0.193275E-05    0.598193E+02  0.323098E-07 0.100000E-04    0.944426E+00
  90    0.226323E-05    0.594070E+02 -0.380971E-07 0.100000E-04    0.974308E+00
  91   -0.268959E-05    0.581335E+02  0.462657E-07 0.100000E-04    0.915809E+00
  92   -0.360381E-05    0.558589E+02  0.645162E-07 0.100000E-04    0.945790E+00
  93   -0.328461E-05    0.524387E+02  0.626372E-07 0.100000E-04    0.981178E+00
  94   -0.654311E-06    0.520041E+02  0.125819E-07 0.100000E-04    0.793777E+00
  95    0.191840E-05    0.502814E+02 -0.381533E-07 0.100000E-04    0.883504E+00
  96    0.113778E-05    0.461292E+02 -0.246652E-07 0.100000E-04    0.917570E+00
  97   -0.290924E-05    0.433797E+02  0.670646E-07 0.100000E-04    0.879937E+00
  98    0.493298E-06    0.409241E+02 -0.120540E-07 0.100000E-04    0.650710E+00
  99    0.183989E-05    0.378649E+02 -0.485909E-07 0.100000E-04    0.805486E+00
 100    0.150909E-05    0.361843E+02 -0.417056E-07 0.100000E-04    0.887164E+00
 101    0.106649E-04    0.322426E+02 -0.330769E-06 0.100000E-04    0.937100E+00
 102   -0.114328E-06    0.289246E+02  0.395262E-08 0.100000E-04    0.283462E+00
 103    0.246413E-05    0.284568E+02 -0.865919E-07 0.100000E-04    0.958993E+00
 104   -0.104426E-05    0.263185E+02  0.396777E-07 0.100000E-04    0.441368E+00
 105   -0.616097E-05    0.233261E+02  0.264124E-06 0.100000E-04    0.925688E+00
 106   -0.491675E-05    0.213436E+02  0.230362E-06 0.100000E-04    0.962883E+00
 107    0.207950E-04    0.198473E+02 -0.104775E-05 0.100000E-04    0.918032E+00
 108   -0.231944E-04    0.164488E+02  0.141010E-05 0.100000E-04    0.927986E+00
 109   -0.516352E-05    0.139128E+02  0.371136E-06 0.100000E-04    0.955395E+00
 110   -0.903296E-05    0.122447E+02  0.737703E-06 0.100000E-04    0.848319E+00
 111   -0.214201E-05    0.100856E+02  0.212383E-06 0.100000E-04    0.765312E+00
 112    0.301955E-01    0.916755E+01 -0.100000E-04 0.100000E-04    0.563374E+00
 113    0.102195E+00    0.575928E+01 -0.217727E-04 0.217727E-04    0.155776E+00
 114    0.913849E+00    0.314848E+01  0.100000E-04 0.100000E-04    0.807153E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2177273340E-04    0.2692145738    

 Beginning of optimization cycle  675.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989879132
 potential> RMS force:                                               0.0861710801   |gradient|=.9200553657    
 Eigenvalues of the Hessian matrix:
   746.94132    673.96539    630.89088    600.56711    586.33134    578.90127 
   564.63012    487.42870    460.51872    459.73489    441.62528    429.47208 
   421.86149    407.83201    396.29754    387.36941    370.06243    360.57958 
   349.29523    335.34224    329.36409    321.81303    319.17210    309.31369 
   300.77719    290.60541    279.09664    272.76748    268.55520    264.97608 
   263.87741    253.17498    241.59570    240.80058    234.06636    227.54164 
   217.18412    214.90166    213.24082    207.71011    202.97026    195.37729 
   194.86699    191.39424    183.01012    174.40817    172.35364    168.23484 
   163.19947    156.85884    154.94713    152.24281    146.62440    143.31989 
   138.12882    135.87299    130.27393    128.85429    126.91234    123.99672 
   120.02403    118.17659    116.80832    110.37971    106.81516    104.46886 
   102.86060     99.50765     96.07651     94.08769     91.94060     91.24612 
    88.38378     85.62975     80.84042     80.54843     77.94137     73.27054 
    72.51654     67.89670     64.72257     61.31832     59.81903     59.40706 
    58.13347     55.85868     52.43862     52.00374     50.28200     46.12873 
    43.38024     40.92417     37.86487     36.18388     32.24225     28.92495 
    28.45685     26.31877     23.32599     21.34385     19.84725     16.44867 
    13.91283     12.24474     10.08557      9.16909      5.75945      3.14816 
overlap for current and previous eigenvector    109 is        -0.9999999881
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999526
overlap for current and previous eigenvector    112 is        -0.9999999201
overlap for current and previous eigenvector    113 is        -0.9999999351
overlap for current and previous eigenvector    114 is        -0.9999999661
J1,K1,R1,R2,RAT=   7   7    0.4616695706E-02     1.995373100        0.9953731004    
FOB,PFOB,DIAG,PSTEP=   -0.1719048545E-06   -0.1727021719E-06     746.9413180        0.2312136829E-09
J1,K1,R1,R2,RAT=   8   8   -0.4157831490E-01     2.041582564        0.9584216851    
FOB,PFOB,DIAG,PSTEP=   -0.4192850217E-06   -0.4025477982E-06     673.9653931        0.5972813249E-09
J1,K1,R1,R2,RAT=   9   9   -0.4529448919E-01     2.045285197        0.9547055108    
FOB,PFOB,DIAG,PSTEP=   -0.7406262322E-06   -0.7085334236E-06     630.8908809        0.1123073319E-08
J1,K1,R1,R2,RAT=  10  10   -0.8640446440         2.864052016        0.1359553560    
FOB,PFOB,DIAG,PSTEP=   -0.5088342887E-07   -0.2729736971E-07     600.5671131        0.4545248732E-10
J1,K1,R1,R2,RAT=  11  11   -0.4423309890         2.442332807        0.5576690110    
FOB,PFOB,DIAG,PSTEP=    0.5101652065E-08    0.3537089286E-08     586.3313437       -0.6032572041E-11
J1,K1,R1,R2,RAT= 109 109     2.040551329       -0.4055988983E-01    0.9594401102    
FOB,PFOB,DIAG,PSTEP=    0.5372956741E-05   -0.5163523885E-05     13.91282546        0.3711356835E-06
J1,K1,R1,R2,RAT= 110 110     2.147601661       -0.1476052411        0.8523947589    
FOB,PFOB,DIAG,PSTEP=    0.1036628005E-04   -0.9032964726E-05     12.24474436        0.7377026935E-06
J1,K1,R1,R2,RAT= 111 111     2.309771808       -0.3097598147        0.6902401853    
FOB,PFOB,DIAG,PSTEP=    0.2805519980E-05   -0.2142014076E-05     10.08557437        0.2123826717E-06
J1,K1,R1,R2,RAT= 112 112     658.2298269        0.4078019606        0.5921980394    
FOB,PFOB,DIAG,PSTEP=   -0.3015813651E-01    0.3019552823E-01     9.169086886       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1630.708506       -0.7889603306        0.2110396694    
FOB,PFOB,DIAG,PSTEP=   -0.1022940564        0.1021951216         5.759450334       -0.2177273340E-04
J1,K1,R1,R2,RAT= 114 114    -58056.21638        0.1461154175        0.8538845825    
FOB,PFOB,DIAG,PSTEP=   -0.9138535370        0.9138489371         3.148159815        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00001     -0.00002     -0.00002 
     0.00001      0.00001      0.00000     -0.03016     -0.10229     -0.91385 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3809409467
 Log product of positive Hessian eigenvalues =          519.0767087265
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1481598151
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=       -0.0000000025
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000072
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=        0.0000000169
 Unscaled step for mode   64=        0.0000000017
 Unscaled step for mode   65=       -0.0000000107
 Unscaled step for mode   66=       -0.0000000058
 Unscaled step for mode   67=        0.0000000158
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=        0.0000000123
 Unscaled step for mode   71=       -0.0000000070
 Unscaled step for mode   72=       -0.0000000087
 Unscaled step for mode   73=        0.0000000015
 Unscaled step for mode   74=        0.0000000004
 Unscaled step for mode   75=       -0.0000000007
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=        0.0000000087
 Unscaled step for mode   79=        0.0000000086
 Unscaled step for mode   80=       -0.0000000069
 Unscaled step for mode   81=        0.0000000158
 Unscaled step for mode   82=       -0.0000000158
 Unscaled step for mode   83=        0.0000000023
 Unscaled step for mode   84=       -0.0000000063
 Unscaled step for mode   85=       -0.0000000304
 Unscaled step for mode   86=        0.0000000085
 Unscaled step for mode   87=        0.0000000152
 Unscaled step for mode   88=        0.0000000162
 Unscaled step for mode   89=        0.0000000339
 Unscaled step for mode   90=        0.0000000388
 Unscaled step for mode   91=        0.0000000494
 Unscaled step for mode   92=        0.0000000674
 Unscaled step for mode   93=       -0.0000000634
 Unscaled step for mode   94=       -0.0000000107
 Unscaled step for mode   95=       -0.0000000425
 Unscaled step for mode   96=       -0.0000000262
 Unscaled step for mode   97=        0.0000000745
 Unscaled step for mode   98=       -0.0000000176
 Unscaled step for mode   99=       -0.0000000584
 Unscaled step for mode  100=       -0.0000000461
 Unscaled step for mode  101=        0.0000003477
 Unscaled step for mode  102=        0.0000000119
 Unscaled step for mode  103=        0.0000000897
 Unscaled step for mode  104=        0.0000000288
 Unscaled step for mode  105=        0.0000002809
 Unscaled step for mode  106=       -0.0000002371
 Unscaled step for mode  107=        0.0000011218
 Unscaled step for mode  108=        0.0000014966
 Unscaled step for mode  109=       -0.0000003862
 Unscaled step for mode  110=       -0.0000008466
 Unscaled step for mode  111=       -0.0000002782
 Unscaled step for mode  112=        0.0032890745
 Unscaled step for mode  113=        0.0177554804
 Unscaled step for mode  114=       -0.2692393361
 Largest modulus ratio of non-zero e/values=           237.2628335    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.134875E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.236025E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.581702E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.799599E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.331586E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.408645E-14    0.974320E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171905E-06    0.746941E+03  0.230145E-09 0.100000E-04    0.995373E+00
   8   -0.419285E-06    0.673965E+03  0.622117E-09 0.100000E-04    0.958422E+00
   9   -0.740626E-06    0.630891E+03  0.117394E-08 0.100000E-04    0.954706E+00
  10   -0.508834E-07    0.600567E+03  0.847256E-10 0.109000E-04    0.135955E+00
  11    0.510165E-08    0.586331E+03 -0.870097E-11 0.100000E-04    0.557669E+00
  12   -0.106040E-05    0.578901E+03  0.183174E-08 0.100000E-04    0.950926E+00
  13    0.453230E-07    0.564630E+03 -0.802702E-10 0.100000E-04    0.924515E+00
  14    0.443457E-06    0.487429E+03 -0.909789E-09 0.100000E-04    0.938407E+00
  15   -0.452551E-06    0.460519E+03  0.982697E-09 0.100000E-04    0.947769E+00
  16   -0.144467E-06    0.459735E+03  0.314240E-09 0.100000E-04    0.815075E+00
  17   -0.633127E-06    0.441625E+03  0.143363E-08 0.100000E-04    0.916638E+00
  18   -0.422870E-06    0.429472E+03  0.984628E-09 0.100000E-04    0.941906E+00
  19   -0.125382E-06    0.421861E+03  0.297210E-09 0.100000E-04    0.790049E+00
  20   -0.385018E-06    0.407832E+03  0.944061E-09 0.100000E-04    0.932537E+00
  21   -0.445239E-06    0.396298E+03  0.112350E-08 0.100000E-04    0.928302E+00
  22   -0.632781E-06    0.387369E+03  0.163353E-08 0.100000E-04    0.996023E+00
  23    0.835661E-06    0.370062E+03 -0.225816E-08 0.100000E-04    0.931916E+00
  24   -0.430245E-06    0.360580E+03  0.119320E-08 0.100000E-04    0.984229E+00
  25   -0.587556E-07    0.349295E+03  0.168212E-09 0.100000E-04    0.634322E+00
  26   -0.819891E-08    0.335342E+03  0.244494E-10 0.109000E-04    0.144815E+00
  27    0.400544E-06    0.329364E+03 -0.121611E-08 0.100000E-04    0.901323E+00
  28   -0.421398E-06    0.321813E+03  0.130945E-08 0.100000E-04    0.907649E+00
  29   -0.137306E-06    0.319172E+03  0.430194E-09 0.100000E-04    0.248929E+00
  30   -0.140580E-05    0.309314E+03  0.454492E-08 0.100000E-04    0.969650E+00
  31   -0.107482E-05    0.300777E+03  0.357349E-08 0.100000E-04    0.962688E+00
  32   -0.126952E-05    0.290605E+03  0.436854E-08 0.100000E-04    0.975488E+00
  33   -0.653508E-07    0.279097E+03  0.234151E-09 0.100000E-04    0.874042E+00
  34   -0.203672E-08    0.272767E+03  0.746689E-11 0.109000E-04    0.445170E-01
  35    0.103512E-05    0.268555E+03 -0.385441E-08 0.100000E-04    0.976729E+00
  36    0.124372E-05    0.264976E+03 -0.469369E-08 0.100000E-04    0.988126E+00
  37   -0.535560E-06    0.263877E+03  0.202958E-08 0.100000E-04    0.905055E+00
  38   -0.130922E-06    0.253175E+03  0.517121E-09 0.100000E-04    0.972233E+00
  39   -0.395364E-06    0.241596E+03  0.163647E-08 0.100000E-04    0.920400E+00
  40   -0.123047E-05    0.240801E+03  0.510989E-08 0.100000E-04    0.990169E+00
  41   -0.969654E-06    0.234066E+03  0.414264E-08 0.100000E-04    0.991319E+00
  42   -0.172829E-05    0.227542E+03  0.759548E-08 0.100000E-04    0.972139E+00
  43    0.749909E-09    0.217184E+03 -0.345287E-11 0.100000E-04    0.601841E+00
  44   -0.197087E-05    0.214902E+03  0.917105E-08 0.100000E-04    0.974229E+00
  45    0.709979E-06    0.213241E+03 -0.332947E-08 0.100000E-04    0.982298E+00
  46    0.107418E-05    0.207710E+03 -0.517152E-08 0.100000E-04    0.985992E+00
  47   -0.751846E-06    0.202970E+03  0.370422E-08 0.100000E-04    0.970757E+00
  48   -0.126974E-05    0.195377E+03  0.649891E-08 0.100000E-04    0.937876E+00
  49    0.993886E-06    0.194867E+03 -0.510033E-08 0.100000E-04    0.953878E+00
  50    0.132554E-05    0.191394E+03 -0.692572E-08 0.100000E-04    0.886024E+00
  51    0.240995E-06    0.183010E+03 -0.131684E-08 0.100000E-04    0.872466E+00
  52   -0.635689E-06    0.174408E+03  0.364483E-08 0.100000E-04    0.938856E+00
  53   -0.129313E-06    0.172354E+03  0.750279E-09 0.100000E-04    0.871999E+00
  54    0.207498E-06    0.168235E+03 -0.123338E-08 0.100000E-04    0.942661E+00
  55   -0.804941E-06    0.163199E+03  0.493226E-08 0.100000E-04    0.988032E+00
  56   -0.137015E-05    0.156859E+03  0.873494E-08 0.100000E-04    0.977476E+00
  57    0.392922E-06    0.154947E+03 -0.253585E-08 0.100000E-04    0.829629E+00
  58   -0.911585E-06    0.152243E+03  0.598770E-08 0.100000E-04    0.995210E+00
  59   -0.616154E-06    0.146624E+03  0.420226E-08 0.100000E-04    0.996098E+00
  60    0.221404E-06    0.143320E+03 -0.154482E-08 0.100000E-04    0.694596E+00
  61   -0.998253E-06    0.138129E+03  0.722697E-08 0.100000E-04    0.815793E+00
  62    0.957711E-06    0.135873E+03 -0.704858E-08 0.100000E-04    0.976075E+00
  63   -0.219641E-05    0.130274E+03  0.168599E-07 0.100000E-04    0.926359E+00
  64   -0.219347E-06    0.128854E+03  0.170228E-08 0.100000E-04    0.260512E+00
  65    0.135386E-05    0.126912E+03 -0.106677E-07 0.100000E-04    0.889444E+00
  66    0.724996E-06    0.123997E+03 -0.584690E-08 0.100000E-04    0.891674E+00
  67   -0.189419E-05    0.120024E+03  0.157817E-07 0.100000E-04    0.967226E+00
  68    0.462766E-06    0.118177E+03 -0.391588E-08 0.100000E-04    0.938763E+00
  69    0.579707E-07    0.116808E+03 -0.496289E-09 0.100000E-04    0.803147E+01
  70   -0.136269E-05    0.110380E+03  0.123455E-07 0.100000E-04    0.951912E+00
  71    0.747254E-06    0.106815E+03 -0.699577E-08 0.100000E-04    0.920380E+00
  72    0.905420E-06    0.104469E+03 -0.866689E-08 0.100000E-04    0.878105E+00
  73   -0.157126E-06    0.102861E+03  0.152756E-08 0.100000E-04    0.717242E+00
  74   -0.355199E-07    0.995077E+02  0.356957E-09 0.100000E-04    0.479577E+00
  75    0.669802E-07    0.960765E+02 -0.697155E-09 0.100000E-04    0.355575E+00
  76    0.173287E-06    0.940877E+02 -0.184176E-08 0.100000E-04    0.863117E+00
  77    0.149717E-05    0.919406E+02 -0.162841E-07 0.100000E-04    0.962966E+00
  78   -0.796728E-06    0.912461E+02  0.873164E-08 0.100000E-04    0.975748E+00
  79   -0.758416E-06    0.883838E+02  0.858094E-08 0.100000E-04    0.987952E+00
  80    0.590691E-06    0.856297E+02 -0.689820E-08 0.100000E-04    0.920389E+00
  81   -0.128018E-05    0.808404E+02  0.158358E-07 0.100000E-04    0.996668E+00
  82    0.127033E-05    0.805484E+02 -0.157711E-07 0.100000E-04    0.937944E+00
  83   -0.181029E-06    0.779414E+02  0.232263E-08 0.100000E-04    0.772301E+00
  84    0.462800E-06    0.732705E+02 -0.631632E-08 0.100000E-04    0.361847E+00
  85    0.220244E-05    0.725165E+02 -0.303715E-07 0.100000E-04    0.892363E+00
  86   -0.577246E-06    0.678967E+02  0.850182E-08 0.100000E-04    0.840944E+00
  87   -0.981528E-06    0.647226E+02  0.151652E-07 0.100000E-04    0.783424E+00
  88   -0.995069E-06    0.613183E+02  0.162279E-07 0.100000E-04    0.953942E+00
  89   -0.202746E-05    0.598190E+02  0.338932E-07 0.100000E-04    0.950998E+00
  90   -0.230745E-05    0.594071E+02  0.388414E-07 0.100000E-04    0.980463E+00
  91   -0.287179E-05    0.581335E+02  0.493999E-07 0.100000E-04    0.932258E+00
  92   -0.376320E-05    0.558587E+02  0.673701E-07 0.100000E-04    0.955770E+00
  93    0.332460E-05    0.524386E+02 -0.633999E-07 0.100000E-04    0.987826E+00
  94    0.554469E-06    0.520037E+02 -0.106621E-07 0.100000E-04    0.847409E+00
  95    0.213526E-05    0.502820E+02 -0.424657E-07 0.100000E-04    0.886958E+00
  96    0.120920E-05    0.461287E+02 -0.262136E-07 0.100000E-04    0.937233E+00
  97   -0.323248E-05    0.433802E+02  0.745149E-07 0.100000E-04    0.888895E+00
  98    0.721445E-06    0.409242E+02 -0.176288E-07 0.100000E-04    0.537508E+00
  99    0.221089E-05    0.378649E+02 -0.583891E-07 0.100000E-04    0.798356E+00
 100    0.166638E-05    0.361839E+02 -0.460532E-07 0.100000E-04    0.895766E+00
 101   -0.112104E-04    0.322422E+02  0.347694E-06 0.100000E-04    0.948842E+00
 102   -0.345417E-06    0.289249E+02  0.119418E-07 0.100000E-04    0.102125E+01
 103   -0.255279E-05    0.284568E+02  0.897073E-07 0.100000E-04    0.964019E+00
 104   -0.759084E-06    0.263188E+02  0.288419E-07 0.100000E-04    0.726893E+00
 105   -0.655228E-05    0.233260E+02  0.280900E-06 0.100000E-04    0.936486E+00
 106    0.506019E-05    0.213438E+02 -0.237079E-06 0.100000E-04    0.970827E+00
 107   -0.222654E-04    0.198473E+02  0.112184E-05 0.100000E-04    0.929291E+00
 108   -0.246177E-04    0.164487E+02  0.149664E-05 0.100000E-04    0.938635E+00
 109    0.537296E-05    0.139128E+02 -0.386187E-06 0.100000E-04    0.959440E+00
 110    0.103663E-04    0.122447E+02 -0.846590E-06 0.100000E-04    0.852395E+00
 111    0.280552E-05    0.100856E+02 -0.278172E-06 0.100000E-04    0.690240E+00
 112   -0.301581E-01    0.916909E+01  0.100000E-04 0.100000E-04    0.592198E+00
 113   -0.102294E+00    0.575945E+01  0.196151E-04 0.196151E-04    0.211040E+00
 114   -0.913854E+00    0.314816E+01 -0.100000E-04 0.100000E-04    0.853885E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1961507514E-04    0.2692393361    

 Beginning of optimization cycle  676.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989810810
 potential> RMS force:                                               0.0861725510   |gradient|=.9200710703    
 Eigenvalues of the Hessian matrix:
   746.94502    673.96419    630.89370    600.56488    586.33089    578.90137 
   564.62625    487.42839    460.51748    459.73438    441.62477    429.47326 
   421.86087    407.83047    396.29700    387.36803    370.06289    360.57973 
   349.29451    335.34286    329.36491    321.81281    319.17269    309.31258 
   300.77660    290.60546    279.09803    272.76793    268.55543    264.97638 
   263.87792    253.17439    241.59600    240.80091    234.06708    227.54192 
   217.18481    214.90179    213.24054    207.71057    202.96986    195.37651 
   194.86732    191.39468    183.01081    174.40887    172.35387    168.23510 
   163.19916    156.85863    154.94763    152.24264    146.62384    143.31952 
   138.12931    135.87298    130.27370    128.85448    126.91254    123.99565 
   120.02421    118.17672    116.80792    110.37994    106.81502    104.46908 
   102.86068     99.50759     96.07632     94.08748     91.94020     91.24631 
    88.38328     85.63003     80.84050     80.54907     77.94116     73.27035 
    72.51601     67.89642     64.72215     61.31789     59.81876     59.40715 
    58.13345     55.85847     52.43852     52.00340     50.28256     46.12833 
    43.38078     40.92429     37.86484     36.18358     32.24189     28.92528 
    28.45690     26.31905     23.32589     21.34410     19.84715     16.44858 
    13.91288     12.24477     10.08551      9.17053      5.75960      3.14785 
overlap for current and previous eigenvector    109 is         0.9999999897
overlap for current and previous eigenvector    110 is        -0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999601
overlap for current and previous eigenvector    112 is         0.9999999313
overlap for current and previous eigenvector    113 is        -0.9999999428
overlap for current and previous eigenvector    114 is        -0.9999999706
J1,K1,R1,R2,RAT=   7   7   -0.1204262803E-01     2.012032724        0.9879573720    
FOB,PFOB,DIAG,PSTEP=   -0.1739750509E-06   -0.1719048545E-06     746.9450167        0.2301450600E-09
J1,K1,R1,R2,RAT=   8   8    0.4787422005E-01     1.952129342        0.9521257799    
FOB,PFOB,DIAG,PSTEP=   -0.3992121141E-06   -0.4192850217E-06     673.9641927        0.6221165449E-09
J1,K1,R1,R2,RAT=   9   9    0.5259335503E-01     1.947397709        0.9473977094    
FOB,PFOB,DIAG,PSTEP=   -0.7016740398E-06   -0.7406262322E-06     630.8936996        0.1173937133E-08
J1,K1,R1,R2,RAT=  10  10    0.5374650357         1.462542409        0.4625349643    
FOB,PFOB,DIAG,PSTEP=   -0.2353546676E-07   -0.5088342887E-07     600.5648775        0.8472563309E-10
J1,K1,R1,R2,RAT=  11  11    0.5986514442         1.401350113        0.4013485558    
FOB,PFOB,DIAG,PSTEP=    0.2047543067E-08    0.5101652065E-08     586.3308872       -0.8700971081E-11
J1,K1,R1,R2,RAT= 109 109    0.4374828728E-01     1.956243313        0.9562433130    
FOB,PFOB,DIAG,PSTEP=    0.5137898099E-05    0.5372956741E-05     13.91288389       -0.3861873174E-06
J1,K1,R1,R2,RAT= 110 110     1.846971838        0.1530245453        0.8469718381    
FOB,PFOB,DIAG,PSTEP=   -0.8779981890E-05    0.1036628005E-04     12.24476650       -0.8465901568E-06
J1,K1,R1,R2,RAT= 111 111     1.768919401        0.2310931578        0.7689068422    
FOB,PFOB,DIAG,PSTEP=   -0.2157187580E-05    0.2805519980E-05     10.08551104       -0.2781715624E-06
J1,K1,R1,R2,RAT= 112 112    0.4428741884         657.2754481        0.5571258116    
FOB,PFOB,DIAG,PSTEP=   -0.3011752259E-01   -0.3015813651E-01     9.170532578        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1811.763326       -0.8497162912        0.1502837088    
FOB,PFOB,DIAG,PSTEP=    0.1023900532       -0.1022940564         5.759604832        0.1961507514E-04
J1,K1,R1,R2,RAT= 114 114    -58062.22005        0.2033196497        0.7966803503    
FOB,PFOB,DIAG,PSTEP=    0.9138599372       -0.9138535370         3.147853238       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001     -0.00000      0.00002     -0.00002 
     0.00001     -0.00001     -0.00000     -0.03012      0.10239      0.91386 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3809187557
 Log product of positive Hessian eigenvalues =          519.0767709694
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1478532384
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000061
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000009
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=       -0.0000000050
 Unscaled step for mode   56=        0.0000000085
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000042
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=       -0.0000000059
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=        0.0000000154
 Unscaled step for mode   64=       -0.0000000008
 Unscaled step for mode   65=       -0.0000000094
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=       -0.0000000152
 Unscaled step for mode   68=        0.0000000036
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=       -0.0000000117
 Unscaled step for mode   71=       -0.0000000064
 Unscaled step for mode   72=       -0.0000000101
 Unscaled step for mode   73=        0.0000000011
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=       -0.0000000022
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=        0.0000000084
 Unscaled step for mode   79=       -0.0000000084
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000147
 Unscaled step for mode   83=       -0.0000000031
 Unscaled step for mode   84=       -0.0000000034
 Unscaled step for mode   85=       -0.0000000269
 Unscaled step for mode   86=       -0.0000000071
 Unscaled step for mode   87=       -0.0000000119
 Unscaled step for mode   88=        0.0000000170
 Unscaled step for mode   89=        0.0000000320
 Unscaled step for mode   90=       -0.0000000379
 Unscaled step for mode   91=        0.0000000452
 Unscaled step for mode   92=        0.0000000637
 Unscaled step for mode   93=       -0.0000000622
 Unscaled step for mode   94=       -0.0000000128
 Unscaled step for mode   95=       -0.0000000375
 Unscaled step for mode   96=       -0.0000000240
 Unscaled step for mode   97=        0.0000000655
 Unscaled step for mode   98=       -0.0000000113
 Unscaled step for mode   99=        0.0000000469
 Unscaled step for mode  100=        0.0000000408
 Unscaled step for mode  101=       -0.0000003259
 Unscaled step for mode  102=       -0.0000000021
 Unscaled step for mode  103=        0.0000000861
 Unscaled step for mode  104=        0.0000000429
 Unscaled step for mode  105=        0.0000002600
 Unscaled step for mode  106=        0.0000002284
 Unscaled step for mode  107=       -0.0000010298
 Unscaled step for mode  108=        0.0000013890
 Unscaled step for mode  109=       -0.0000003693
 Unscaled step for mode  110=        0.0000007170
 Unscaled step for mode  111=        0.0000002139
 Unscaled step for mode  112=        0.0032841274
 Unscaled step for mode  113=       -0.0177716559
 Unscaled step for mode  114=        0.2692636437
 Largest modulus ratio of non-zero e/values=           237.2871161    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.534403E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.228734E-14    0.100662E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.305691E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.499167E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.140445E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.433455E-14    0.974320E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173975E-06    0.746945E+03  0.232915E-09 0.100000E-04    0.987957E+00
   8   -0.399212E-06    0.673964E+03  0.592334E-09 0.100000E-04    0.952126E+00
   9   -0.701674E-06    0.630894E+03  0.111219E-08 0.100000E-04    0.947398E+00
  10   -0.235355E-07    0.600565E+03  0.391889E-10 0.100000E-04    0.462535E+00
  11    0.204754E-08    0.586331E+03 -0.349213E-11 0.100000E-04    0.401349E+00
  12   -0.100134E-05    0.578901E+03  0.172972E-08 0.100000E-04    0.944307E+00
  13    0.494198E-07    0.564626E+03 -0.875265E-10 0.100000E-04    0.909609E+00
  14    0.413820E-06    0.487428E+03 -0.848987E-09 0.100000E-04    0.933169E+00
  15   -0.425346E-06    0.460517E+03  0.923625E-09 0.100000E-04    0.939885E+00
  16   -0.117532E-06    0.459734E+03  0.255652E-09 0.100000E-04    0.813557E+00
  17   -0.575869E-06    0.441625E+03  0.130398E-08 0.100000E-04    0.909563E+00
  18   -0.394456E-06    0.429473E+03  0.918465E-09 0.100000E-04    0.932802E+00
  19   -0.164414E-06    0.421861E+03  0.389734E-09 0.100000E-04    0.688694E+00
  20   -0.355726E-06    0.407830E+03  0.872239E-09 0.100000E-04    0.923919E+00
  21   -0.409705E-06    0.396297E+03  0.103383E-08 0.100000E-04    0.920191E+00
  22   -0.627978E-06    0.387368E+03  0.162114E-08 0.100000E-04    0.992410E+00
  23    0.772450E-06    0.370063E+03 -0.208735E-08 0.100000E-04    0.924355E+00
  24   -0.421730E-06    0.360580E+03  0.116959E-08 0.100000E-04    0.980208E+00
  25   -0.978607E-07    0.349295E+03  0.280167E-09 0.100000E-04    0.334443E+00
  26   -0.674215E-07    0.335343E+03  0.201053E-09 0.100000E-04    0.622322E+01
  27    0.356307E-06    0.329365E+03 -0.108180E-08 0.100000E-04    0.889551E+00
  28   -0.377330E-06    0.321813E+03  0.117251E-08 0.100000E-04    0.895424E+00
  29   -0.627981E-07    0.319173E+03  0.196753E-09 0.100000E-04    0.457356E+00
  30   -0.134955E-05    0.309313E+03  0.436307E-08 0.100000E-04    0.959984E+00
  31   -0.102751E-05    0.300777E+03  0.341621E-08 0.100000E-04    0.955984E+00
  32   -0.123023E-05    0.290605E+03  0.423334E-08 0.100000E-04    0.969050E+00
  33   -0.139806E-07    0.279098E+03  0.500921E-10 0.100000E-04    0.213926E+00
  34   -0.557866E-07    0.272768E+03  0.204520E-09 0.100000E-04    0.253903E+02
  35    0.100335E-05    0.268555E+03 -0.373612E-08 0.100000E-04    0.969309E+00
  36    0.122444E-05    0.264976E+03 -0.462093E-08 0.100000E-04    0.984498E+00
  37   -0.480842E-06    0.263878E+03  0.182222E-08 0.100000E-04    0.897828E+00
  38   -0.134958E-06    0.253174E+03  0.533063E-09 0.100000E-04    0.969173E+00
  39   -0.438695E-06    0.241596E+03  0.181582E-08 0.100000E-04    0.890402E+00
  40   -0.121384E-05    0.240801E+03  0.504085E-08 0.100000E-04    0.986487E+00
  41   -0.980294E-06    0.234067E+03  0.418809E-08 0.100000E-04    0.989027E+00
  42   -0.166544E-05    0.227542E+03  0.731927E-08 0.100000E-04    0.963634E+00
  43    0.297680E-08    0.217185E+03 -0.137063E-10 0.100000E-04    0.196955E+01
  44   -0.190929E-05    0.214902E+03  0.888445E-08 0.100000E-04    0.968749E+00
  45    0.722468E-06    0.213241E+03 -0.338804E-08 0.100000E-04    0.982409E+00
  46    0.105797E-05    0.207711E+03 -0.509349E-08 0.100000E-04    0.984908E+00
  47   -0.726785E-06    0.202970E+03  0.358075E-08 0.100000E-04    0.966667E+00
  48   -0.117619E-05    0.195377E+03  0.602014E-08 0.100000E-04    0.926326E+00
  49    0.942719E-06    0.194867E+03 -0.483775E-08 0.100000E-04    0.948514E+00
  50    0.116153E-05    0.191395E+03 -0.606875E-08 0.100000E-04    0.876260E+00
  51    0.207686E-06    0.183011E+03 -0.113483E-08 0.100000E-04    0.861776E+00
  52   -0.589813E-06    0.174409E+03  0.338178E-08 0.100000E-04    0.927825E+00
  53    0.152640E-06    0.172354E+03 -0.885621E-09 0.100000E-04    0.819611E+00
  54    0.221608E-06    0.168235E+03 -0.131725E-08 0.100000E-04    0.932001E+00
  55    0.811392E-06    0.163199E+03 -0.497179E-08 0.100000E-04    0.991986E+00
  56   -0.133350E-05    0.156859E+03  0.850128E-08 0.100000E-04    0.973249E+00
  57   -0.327233E-06    0.154948E+03  0.211190E-08 0.100000E-04    0.832814E+00
  58    0.913008E-06    0.152243E+03 -0.599706E-08 0.100000E-04    0.998439E+00
  59    0.616501E-06    0.146624E+03 -0.420464E-08 0.100000E-04    0.999436E+00
  60    0.161894E-06    0.143320E+03 -0.112960E-08 0.100000E-04    0.731216E+00
  61    0.813829E-06    0.138129E+03 -0.589179E-08 0.100000E-04    0.815247E+00
  62   -0.928094E-06    0.135873E+03  0.683060E-08 0.100000E-04    0.969075E+00
  63   -0.201245E-05    0.130274E+03  0.154479E-07 0.100000E-04    0.916247E+00
  64    0.106083E-06    0.128854E+03 -0.823278E-09 0.100000E-04    0.483630E+00
  65    0.119533E-05    0.126913E+03 -0.941854E-08 0.100000E-04    0.882903E+00
  66    0.643066E-06    0.123996E+03 -0.518620E-08 0.100000E-04    0.886991E+00
  67    0.181966E-05    0.120024E+03 -0.151608E-07 0.100000E-04    0.960652E+00
  68   -0.430737E-06    0.118177E+03  0.364486E-08 0.100000E-04    0.930787E+00
  69    0.422232E-09    0.116808E+03 -0.361475E-11 0.109000E-04    0.728017E-02
  70    0.128666E-05    0.110380E+03 -0.116566E-07 0.100000E-04    0.944198E+00
  71    0.681643E-06    0.106815E+03 -0.638152E-08 0.100000E-04    0.912196E+00
  72    0.105545E-05    0.104469E+03 -0.101030E-07 0.100000E-04    0.834300E+00
  73   -0.115237E-06    0.102861E+03  0.112032E-08 0.100000E-04    0.733400E+00
  74    0.786780E-07    0.995076E+02 -0.790674E-09 0.100000E-04    0.215041E+00
  75    0.207993E-06    0.960763E+02 -0.216487E-08 0.100000E-04    0.110529E+01
  76    0.146690E-06    0.940875E+02 -0.155908E-08 0.100000E-04    0.846511E+00
  77   -0.156230E-05    0.919402E+02  0.169926E-07 0.100000E-04    0.956499E+00
  78   -0.769766E-06    0.912463E+02  0.843614E-08 0.100000E-04    0.966155E+00
  79    0.744099E-06    0.883833E+02 -0.841900E-08 0.100000E-04    0.981122E+00
  80   -0.540329E-06    0.856300E+02  0.631004E-08 0.100000E-04    0.914734E+00
  81    0.127138E-05    0.808405E+02 -0.157270E-07 0.100000E-04    0.993125E+00
  82   -0.118033E-05    0.805491E+02  0.146536E-07 0.100000E-04    0.929136E+00
  83    0.243617E-06    0.779412E+02 -0.312566E-08 0.100000E-04    0.654261E+00
  84    0.247777E-06    0.732704E+02 -0.338169E-08 0.100000E-04    0.535386E+00
  85    0.195355E-05    0.725160E+02 -0.269396E-07 0.100000E-04    0.886996E+00
  86    0.480872E-06    0.678964E+02 -0.708244E-08 0.100000E-04    0.833046E+00
  87    0.767902E-06    0.647222E+02 -0.118646E-07 0.100000E-04    0.782352E+00
  88   -0.104416E-05    0.613179E+02  0.170287E-07 0.100000E-04    0.950661E+00
  89   -0.191619E-05    0.598188E+02  0.320333E-07 0.100000E-04    0.945121E+00
  90    0.224885E-05    0.594072E+02 -0.378549E-07 0.100000E-04    0.974601E+00
  91   -0.262888E-05    0.581335E+02  0.452216E-07 0.100000E-04    0.915418E+00
  92   -0.356002E-05    0.558585E+02  0.637329E-07 0.100000E-04    0.946009E+00
  93    0.326265E-05    0.524385E+02 -0.622187E-07 0.100000E-04    0.981367E+00
  94    0.664599E-06    0.520034E+02 -0.127799E-07 0.100000E-04    0.801378E+00
  95    0.188686E-05    0.502826E+02 -0.375251E-07 0.100000E-04    0.883645E+00
  96    0.110860E-05    0.461283E+02 -0.240329E-07 0.100000E-04    0.916804E+00
  97   -0.284314E-05    0.433808E+02  0.655391E-07 0.100000E-04    0.879531E+00
  98    0.461407E-06    0.409243E+02 -0.112747E-07 0.100000E-04    0.639555E+00
  99   -0.177411E-05    0.378648E+02  0.468537E-07 0.100000E-04    0.802438E+00
 100   -0.147784E-05    0.361836E+02  0.408429E-07 0.100000E-04    0.886855E+00
 101    0.105065E-04    0.322419E+02 -0.325866E-06 0.100000E-04    0.937208E+00
 102    0.609252E-07    0.289253E+02 -0.210630E-08 0.109000E-04    0.176369E+00
 103   -0.244950E-05    0.284569E+02  0.860776E-07 0.100000E-04    0.959537E+00
 104   -0.112915E-05    0.263190E+02  0.429024E-07 0.100000E-04    0.512487E+00
 105   -0.606568E-05    0.233259E+02  0.260041E-06 0.100000E-04    0.925736E+00
 106   -0.487521E-05    0.213441E+02  0.228410E-06 0.100000E-04    0.963420E+00
 107    0.204388E-04    0.198472E+02 -0.102981E-05 0.100000E-04    0.917964E+00
 108   -0.228477E-04    0.164486E+02  0.138904E-05 0.100000E-04    0.928098E+00
 109    0.513790E-05    0.139129E+02 -0.369291E-06 0.100000E-04    0.956243E+00
 110   -0.877998E-05    0.122448E+02  0.717040E-06 0.100000E-04    0.846972E+00
 111   -0.215719E-05    0.100855E+02  0.213890E-06 0.100000E-04    0.768907E+00
 112   -0.301175E-01    0.917053E+01  0.100000E-04 0.100000E-04    0.557126E+00
 113    0.102390E+00    0.575960E+01 -0.213804E-04 0.213804E-04    0.150284E+00
 114    0.913860E+00    0.314785E+01  0.100000E-04 0.100000E-04    0.796680E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2138043190E-04    0.2692636437    

 Beginning of optimization cycle  677.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989744308
 potential> RMS force:                                               0.0861739148   |gradient|=.9200856321    
 Eigenvalues of the Hessian matrix:
   746.94879    673.96279    630.89660    600.56267    586.33037    578.90147 
   564.62215    487.42798    460.51620    459.73384    441.62421    429.47458 
   421.86023    407.82884    396.29642    387.36662    370.06335    360.57990 
   349.29383    335.34351    329.36578    321.81253    319.17340    309.31143 
   300.77606    290.60554    279.09953    272.76839    268.55572    264.97670 
   263.87853    253.17382    241.59640    240.80123    234.06788    227.54226 
   217.18559    214.90192    213.24026    207.71108    202.96946    195.37571 
   194.86771    191.39514    183.01157    174.40962    172.35412    168.23538 
   163.19885    156.85841    154.94814    152.24245    146.62326    143.31911 
   138.12983    135.87297    130.27345    128.85469    126.91273    123.99452 
   120.02439    118.17684    116.80748    110.38019    106.81486    104.46929 
   102.86076     99.50752     96.07612     94.08724     91.93980     91.24653 
    88.38277     85.63033     80.84059     80.54974     77.94093     73.27013 
    72.51542     67.89610     64.72171     61.31747     59.81849     59.40723 
    58.13341     55.85823     52.43841     52.00302     50.28315     46.12791 
    43.38135     40.92440     37.86479     36.18320     32.24151     28.92561 
    28.45696     26.31934     23.32579     21.34434     19.84707     16.44847 
    13.91294     12.24479     10.08545      9.17206      5.75978      3.14754 
overlap for current and previous eigenvector    109 is         0.9999999883
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999533
overlap for current and previous eigenvector    112 is         0.9999999216
overlap for current and previous eigenvector    113 is         0.9999999368
overlap for current and previous eigenvector    114 is         0.9999999672
J1,K1,R1,R2,RAT=   7   7    0.4568590365E-02     1.995421298        0.9954212984    
FOB,PFOB,DIAG,PSTEP=   -0.1731802262E-06   -0.1739750509E-06     746.9487930        0.2329154717E-09
J1,K1,R1,R2,RAT=   8   8   -0.4117809816E-01     2.041182259        0.9588219018    
FOB,PFOB,DIAG,PSTEP=   -0.4156508755E-06   -0.3992121141E-06     673.9627907        0.5923343086E-09
J1,K1,R1,R2,RAT=   9   9   -0.4486756271E-01     2.044858360        0.9551324373    
FOB,PFOB,DIAG,PSTEP=   -0.7331565886E-06   -0.7016740398E-06     630.8966026        0.1112190596E-08
J1,K1,R1,R2,RAT=  10  10   -0.9853168229         2.985324180        0.1468317711E-01
FOB,PFOB,DIAG,PSTEP=   -0.4672527279E-07   -0.2353546676E-07     600.5626685        0.3918888307E-10
J1,K1,R1,R2,RAT=  11  11   -0.7362664424         2.736268210        0.2637335576    
FOB,PFOB,DIAG,PSTEP=    0.3555078984E-08    0.2047543067E-08     586.3303689       -0.3492128952E-11
J1,K1,R1,R2,RAT= 109 109   -0.3987437259E-01     2.039865800        0.9601256274    
FOB,PFOB,DIAG,PSTEP=    0.5342769440E-05    0.5137898099E-05     13.91294353       -0.3692906617E-06
J1,K1,R1,R2,RAT= 110 110   -0.1491530138         2.149149332        0.8508469862    
FOB,PFOB,DIAG,PSTEP=   -0.1008954506E-04   -0.8779981890E-05     12.24478904        0.7170395521E-06
J1,K1,R1,R2,RAT= 111 111   -0.3036548058         2.303666708        0.6963451942    
FOB,PFOB,DIAG,PSTEP=   -0.2812224057E-05   -0.2157187580E-05     10.08545102        0.2138897643E-06
J1,K1,R1,R2,RAT= 112 112    0.4145997036         656.3088209        0.5854002964    
FOB,PFOB,DIAG,PSTEP=   -0.3007949527E-01   -0.3011752259E-01     9.172056804        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7939141172         1663.692413        0.2060858828    
FOB,PFOB,DIAG,PSTEP=    0.1024878209        0.1023900532         5.759775403       -0.2138043190E-04
J1,K1,R1,R2,RAT= 114 114    0.1573927592        -58068.43291        0.8426072408    
FOB,PFOB,DIAG,PSTEP=    0.9138648912        0.9138599372         3.147535997        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001     -0.00001      0.00002     -0.00002 
     0.00001     -0.00001     -0.00000     -0.03008      0.10249      0.91386 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3808980155
 Log product of positive Hessian eigenvalues =          519.0768375753
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1475359967
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000042
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=       -0.0000000070
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000166
 Unscaled step for mode   64=       -0.0000000015
 Unscaled step for mode   65=       -0.0000000105
 Unscaled step for mode   66=       -0.0000000057
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=        0.0000000039
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=       -0.0000000069
 Unscaled step for mode   72=       -0.0000000089
 Unscaled step for mode   73=        0.0000000015
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000009
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=       -0.0000000164
 Unscaled step for mode   78=       -0.0000000086
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=        0.0000000068
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000156
 Unscaled step for mode   83=       -0.0000000025
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000298
 Unscaled step for mode   86=       -0.0000000082
 Unscaled step for mode   87=       -0.0000000145
 Unscaled step for mode   88=        0.0000000163
 Unscaled step for mode   89=        0.0000000336
 Unscaled step for mode   90=       -0.0000000386
 Unscaled step for mode   91=        0.0000000483
 Unscaled step for mode   92=        0.0000000665
 Unscaled step for mode   93=       -0.0000000630
 Unscaled step for mode   94=       -0.0000000109
 Unscaled step for mode   95=       -0.0000000418
 Unscaled step for mode   96=       -0.0000000255
 Unscaled step for mode   97=        0.0000000729
 Unscaled step for mode   98=       -0.0000000168
 Unscaled step for mode   99=        0.0000000565
 Unscaled step for mode  100=        0.0000000451
 Unscaled step for mode  101=       -0.0000003425
 Unscaled step for mode  102=       -0.0000000100
 Unscaled step for mode  103=        0.0000000891
 Unscaled step for mode  104=        0.0000000322
 Unscaled step for mode  105=        0.0000002765
 Unscaled step for mode  106=        0.0000002350
 Unscaled step for mode  107=       -0.0000011026
 Unscaled step for mode  108=        0.0000014740
 Unscaled step for mode  109=       -0.0000003840
 Unscaled step for mode  110=        0.0000008240
 Unscaled step for mode  111=        0.0000002788
 Unscaled step for mode  112=        0.0032794358
 Unscaled step for mode  113=       -0.0177880881
 Unscaled step for mode  114=        0.2692883755
 Largest modulus ratio of non-zero e/values=           237.3122321    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.922548E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.234627E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.476615E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.440184E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.119669E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.478638E-14    0.974320E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173180E-06    0.746949E+03  0.231850E-09 0.100000E-04    0.995421E+00
   8   -0.415651E-06    0.673963E+03  0.616727E-09 0.100000E-04    0.958822E+00
   9   -0.733157E-06    0.630897E+03  0.116209E-08 0.100000E-04    0.955132E+00
  10   -0.467253E-07    0.600563E+03  0.778025E-10 0.109000E-04    0.146832E-01
  11    0.355508E-08    0.586330E+03 -0.606327E-11 0.100000E-04    0.263734E+00
  12   -0.105001E-05    0.578901E+03  0.181381E-08 0.100000E-04    0.951389E+00
  13    0.457746E-07    0.564622E+03 -0.810712E-10 0.100000E-04    0.926239E+00
  14    0.439072E-06    0.487428E+03 -0.900795E-09 0.100000E-04    0.938978E+00
  15   -0.447404E-06    0.460516E+03  0.971527E-09 0.100000E-04    0.948140E+00
  16   -0.139679E-06    0.459734E+03  0.303826E-09 0.100000E-04    0.811567E+00
  17   -0.623709E-06    0.441624E+03  0.141231E-08 0.100000E-04    0.916926E+00
  18   -0.417248E-06    0.429475E+03  0.971532E-09 0.100000E-04    0.942219E+00
  19   -0.131649E-06    0.421860E+03  0.312068E-09 0.100000E-04    0.800718E+00
  20   -0.379600E-06    0.407829E+03  0.930782E-09 0.100000E-04    0.932886E+00
  21   -0.438962E-06    0.396296E+03  0.110766E-08 0.100000E-04    0.928591E+00
  22   -0.630395E-06    0.387367E+03  0.162739E-08 0.100000E-04    0.996152E+00
  23    0.824741E-06    0.370063E+03 -0.222865E-08 0.100000E-04    0.932305E+00
  24   -0.428252E-06    0.360580E+03  0.118767E-08 0.100000E-04    0.984537E+00
  25   -0.645621E-07    0.349294E+03  0.184836E-09 0.100000E-04    0.659734E+00
  26   -0.198096E-07    0.335344E+03  0.590725E-10 0.100000E-04    0.293814E+00
  27    0.391627E-06    0.329366E+03 -0.118903E-08 0.100000E-04    0.900872E+00
  28   -0.412319E-06    0.321813E+03  0.128124E-08 0.100000E-04    0.907269E+00
  29   -0.120692E-06    0.319173E+03  0.378138E-09 0.109000E-04    0.781057E-01
  30   -0.139018E-05    0.309311E+03  0.449442E-08 0.100000E-04    0.969898E+00
  31   -0.106544E-05    0.300776E+03  0.354232E-08 0.100000E-04    0.963086E+00
  32   -0.126001E-05    0.290606E+03  0.433582E-08 0.100000E-04    0.975792E+00
  33   -0.558857E-07    0.279100E+03  0.200236E-09 0.100000E-04    0.199736E+01
  34   -0.127947E-07    0.272768E+03  0.469067E-10 0.100000E-04    0.229348E+00
  35    0.102643E-05    0.268556E+03 -0.382204E-08 0.100000E-04    0.977001E+00
  36    0.123868E-05    0.264977E+03 -0.467467E-08 0.100000E-04    0.988371E+00
  37   -0.526453E-06    0.263879E+03  0.199506E-08 0.100000E-04    0.905145E+00
  38   -0.131252E-06    0.253174E+03  0.518428E-09 0.100000E-04    0.972542E+00
  39   -0.405071E-06    0.241596E+03  0.167664E-08 0.100000E-04    0.923351E+00
  40   -0.122554E-05    0.240801E+03  0.508944E-08 0.100000E-04    0.990359E+00
  41   -0.971884E-06    0.234068E+03  0.415215E-08 0.100000E-04    0.991414E+00
  42   -0.171135E-05    0.227542E+03  0.752104E-08 0.100000E-04    0.972432E+00
  43    0.250471E-08    0.217186E+03 -0.115326E-10 0.100000E-04    0.841401E+00
  44   -0.195780E-05    0.214902E+03  0.911019E-08 0.100000E-04    0.974592E+00
  45    0.709844E-06    0.213240E+03 -0.332885E-08 0.100000E-04    0.982526E+00
  46    0.107249E-05    0.207711E+03 -0.516340E-08 0.100000E-04    0.986273E+00
  47   -0.747720E-06    0.202969E+03  0.368391E-08 0.100000E-04    0.971194E+00
  48   -0.124913E-05    0.195376E+03  0.639350E-08 0.100000E-04    0.937985E+00
  49    0.985781E-06    0.194868E+03 -0.505872E-08 0.100000E-04    0.954321E+00
  50    0.129467E-05    0.191395E+03 -0.676437E-08 0.100000E-04    0.885376E+00
  51    0.234464E-06    0.183012E+03 -0.128114E-08 0.100000E-04    0.871065E+00
  52   -0.625793E-06    0.174410E+03  0.358807E-08 0.100000E-04    0.938997E+00
  53    0.134005E-06    0.172354E+03 -0.777498E-09 0.100000E-04    0.877912E+00
  54    0.209197E-06    0.168235E+03 -0.124348E-08 0.100000E-04    0.943995E+00
  55    0.801696E-06    0.163199E+03 -0.491239E-08 0.100000E-04    0.988050E+00
  56   -0.136307E-05    0.156858E+03  0.868984E-08 0.100000E-04    0.977821E+00
  57   -0.383408E-06    0.154948E+03  0.247443E-08 0.100000E-04    0.828335E+00
  58    0.908635E-06    0.152242E+03 -0.596834E-08 0.100000E-04    0.995210E+00
  59    0.614065E-06    0.146623E+03 -0.418804E-08 0.100000E-04    0.996048E+00
  60    0.212794E-06    0.143319E+03 -0.148476E-08 0.100000E-04    0.685599E+00
  61    0.966377E-06    0.138130E+03 -0.699615E-08 0.100000E-04    0.812555E+00
  62   -0.950049E-06    0.135873E+03  0.699219E-08 0.100000E-04    0.976344E+00
  63   -0.216044E-05    0.130273E+03  0.165839E-07 0.100000E-04    0.926463E+00
  64    0.197787E-06    0.128855E+03 -0.153496E-08 0.109000E-04    0.135548E+00
  65    0.132766E-05    0.126913E+03 -0.104612E-07 0.100000E-04    0.889292E+00
  66    0.712729E-06    0.123995E+03 -0.574807E-08 0.100000E-04    0.891669E+00
  67    0.187860E-05    0.120024E+03 -0.156518E-07 0.100000E-04    0.967612E+00
  68   -0.456928E-06    0.118177E+03  0.386648E-08 0.100000E-04    0.939195E+00
  69    0.516954E-07    0.116807E+03 -0.442569E-09 0.100000E-04    0.120434E+03
  70    0.134797E-05    0.110380E+03 -0.122121E-07 0.100000E-04    0.952344E+00
  71    0.735860E-06    0.106815E+03 -0.688911E-08 0.100000E-04    0.920461E+00
  72    0.931874E-06    0.104469E+03 -0.892008E-08 0.100000E-04    0.882914E+00
  73   -0.149167E-06    0.102861E+03  0.145019E-08 0.100000E-04    0.705558E+00
  74    0.408110E-07    0.995075E+02 -0.410130E-09 0.100000E-04    0.518709E+00
  75    0.886678E-07    0.960761E+02 -0.922891E-09 0.100000E-04    0.426301E+00
  76    0.167050E-06    0.940872E+02 -0.177548E-08 0.100000E-04    0.861202E+00
  77    0.150563E-05    0.919398E+02 -0.163763E-07 0.100000E-04    0.963728E+00
  78    0.788242E-06    0.912465E+02 -0.863860E-08 0.100000E-04    0.975998E+00
  79    0.752969E-06    0.883828E+02 -0.851941E-08 0.100000E-04    0.988079E+00
  80   -0.583193E-06    0.856303E+02  0.681059E-08 0.100000E-04    0.920671E+00
  81    0.127547E-05    0.808406E+02 -0.157777E-07 0.100000E-04    0.996777E+00
  82   -0.125325E-05    0.805497E+02  0.155587E-07 0.100000E-04    0.938222E+00
  83    0.191031E-06    0.779409E+02 -0.245097E-08 0.100000E-04    0.784142E+00
  84    0.424800E-06    0.732701E+02 -0.579773E-08 0.100000E-04    0.285553E+00
  85    0.216387E-05    0.725154E+02 -0.298402E-07 0.100000E-04    0.892341E+00
  86    0.558627E-06    0.678961E+02 -0.822768E-08 0.100000E-04    0.838304E+00
  87    0.939635E-06    0.647217E+02 -0.145181E-07 0.100000E-04    0.776360E+00
  88   -0.996665E-06    0.613175E+02  0.162542E-07 0.100000E-04    0.954510E+00
  89   -0.200896E-05    0.598185E+02  0.335843E-07 0.100000E-04    0.951588E+00
  90    0.229234E-05    0.594072E+02 -0.385868E-07 0.100000E-04    0.980664E+00
  91   -0.280752E-05    0.581334E+02  0.482944E-07 0.100000E-04    0.932050E+00
  92   -0.371658E-05    0.558582E+02  0.665360E-07 0.100000E-04    0.956022E+00
  93    0.330179E-05    0.524384E+02 -0.629650E-07 0.100000E-04    0.988006E+00
  94    0.566302E-06    0.520030E+02 -0.108898E-07 0.100000E-04    0.852096E+00
  95    0.209994E-05    0.502832E+02 -0.417623E-07 0.100000E-04    0.887074E+00
  96    0.117852E-05    0.461279E+02 -0.255490E-07 0.100000E-04    0.936926E+00
  97   -0.316036E-05    0.433813E+02  0.728506E-07 0.100000E-04    0.888428E+00
  98    0.685667E-06    0.409244E+02 -0.167545E-07 0.100000E-04    0.513967E+00
  99   -0.213858E-05    0.378648E+02  0.564793E-07 0.100000E-04    0.794562E+00
 100   -0.163228E-05    0.361832E+02  0.451117E-07 0.100000E-04    0.895495E+00
 101    0.110420E-04    0.322415E+02 -0.342478E-06 0.100000E-04    0.949034E+00
 102    0.288195E-06    0.289256E+02 -0.996332E-08 0.100000E-04    0.273027E+01
 103   -0.253651E-05    0.284570E+02  0.891349E-07 0.100000E-04    0.964480E+00
 104   -0.848169E-06    0.263193E+02  0.322261E-07 0.100000E-04    0.751137E+00
 105   -0.645011E-05    0.233258E+02  0.276523E-06 0.100000E-04    0.936622E+00
 106   -0.501535E-05    0.213443E+02  0.234973E-06 0.100000E-04    0.971254E+00
 107    0.218831E-04    0.198471E+02 -0.110259E-05 0.100000E-04    0.929336E+00
 108   -0.242456E-04    0.164485E+02  0.147404E-05 0.100000E-04    0.938815E+00
 109    0.534277E-05    0.139129E+02 -0.384014E-06 0.100000E-04    0.960126E+00
 110   -0.100895E-04    0.122448E+02  0.823987E-06 0.100000E-04    0.850847E+00
 111   -0.281222E-05    0.100855E+02  0.278840E-06 0.100000E-04    0.696345E+00
 112   -0.300795E-01    0.917206E+01  0.100000E-04 0.100000E-04    0.585400E+00
 113    0.102488E+00    0.575978E+01 -0.192617E-04 0.192617E-04    0.206086E+00
 114    0.913865E+00    0.314754E+01  0.100000E-04 0.100000E-04    0.842607E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1926165036E-04    0.2692883755    

 Beginning of optimization cycle  678.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989675654
 potential> RMS force:                                               0.0861754047   |gradient|=.9201015395    
 Eigenvalues of the Hessian matrix:
   746.95246    673.96162    630.89940    600.56044    586.32993    578.90156 
   564.61832    487.42769    460.51496    459.73333    441.62371    429.47574 
   421.85961    407.82732    396.29588    387.36525    370.06380    360.58004 
   349.29311    335.34410    329.36660    321.81232    319.17397    309.31032 
   300.77546    290.60559    279.10091    272.76883    268.55593    264.97700 
   263.87903    253.17322    241.59669    240.80155    234.06859    227.54252 
   217.18627    214.90206    213.23999    207.71154    202.96907    195.37493 
   194.86803    191.39558    183.01225    174.41031    172.35435    168.23564 
   163.19855    156.85820    154.94863    152.24228    146.62271    143.31874 
   138.13032    135.87296    130.27323    128.85488    126.91294    123.99347 
   120.02457    118.17697    116.80709    110.38042    106.81473    104.46951 
   102.86084     99.50746     96.07594     94.08704     91.93940     91.24672 
    88.38228     85.63060     80.84067     80.55037     77.94072     73.26995 
    72.51490     67.89583     64.72130     61.31704     59.81822     59.40733 
    58.13339     55.85803     52.43832     52.00268     50.28371     46.12751 
    43.38189     40.92451     37.86476     36.18292     32.24116     28.92593 
    28.45702     26.31961     23.32569     21.34459     19.84696     16.44838 
    13.91300     12.24481     10.08539      9.17349      5.75993      3.14723 
overlap for current and previous eigenvector    109 is        -0.9999999899
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999607
overlap for current and previous eigenvector    112 is        -0.9999999326
overlap for current and previous eigenvector    113 is         0.9999999443
overlap for current and previous eigenvector    114 is         0.9999999715
J1,K1,R1,R2,RAT=   7   7   -0.1184636144E-01     2.011836544        0.9881536386    
FOB,PFOB,DIAG,PSTEP=   -0.1752317918E-06   -0.1731802262E-06     746.9524595        0.2318501988E-09
J1,K1,R1,R2,RAT=   8   8    0.4741378152E-01     1.952589704        0.9525862185    
FOB,PFOB,DIAG,PSTEP=   -0.3959433300E-06   -0.4156508755E-06     673.9616161        0.6167267411E-09
J1,K1,R1,R2,RAT=   9   9    0.5210668729E-01     1.947884459        0.9478844592    
FOB,PFOB,DIAG,PSTEP=   -0.6949540584E-06   -0.7331565886E-06     630.8993955        0.1162086760E-08
J1,K1,R1,R2,RAT=  10  10    0.5755790388         1.424428390        0.4244209612    
FOB,PFOB,DIAG,PSTEP=   -0.1983128508E-07   -0.4672527279E-07     600.5604378        0.7780249297E-10
J1,K1,R1,R2,RAT=  11  11    0.8350034503         1.164998062        0.1649965497    
FOB,PFOB,DIAG,PSTEP=    0.5865780109E-09    0.3555078984E-08     586.3299255       -0.6063269399E-11
J1,K1,R1,R2,RAT= 109 109     1.956968101        0.4302348441E-01    0.9569681006    
FOB,PFOB,DIAG,PSTEP=   -0.5112903915E-05    0.5342769440E-05     13.91300207       -0.3840143123E-06
J1,K1,R1,R2,RAT= 110 110    0.1544289009         1.845567384        0.8455673839    
FOB,PFOB,DIAG,PSTEP=   -0.8531424812E-05   -0.1008954506E-04     12.24481179        0.8239868424E-06
J1,K1,R1,R2,RAT= 111 111    0.2278837127         1.772128752        0.7721162873    
FOB,PFOB,DIAG,PSTEP=   -0.2171367992E-05   -0.2812224057E-05     10.08538817        0.2788396920E-06
J1,K1,R1,R2,RAT= 112 112     655.3429086        0.4490025950        0.5509974050    
FOB,PFOB,DIAG,PSTEP=    0.3003830607E-01   -0.3007949527E-01     9.173487734        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8553320855         1848.386782        0.1446679145    
FOB,PFOB,DIAG,PSTEP=    0.1025827163        0.1024878209         5.759926210       -0.1926165036E-04
J1,K1,R1,R2,RAT= 114 114    0.2136332257        -58074.43186        0.7863667743    
FOB,PFOB,DIAG,PSTEP=    0.9138716148        0.9138648912         3.147230972        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001     -0.00000 
     0.00000     -0.00000     -0.00001     -0.00000      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.03004      0.10258      0.91387 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3808756004
 Log product of positive Hessian eigenvalues =          519.0768990744
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1472309716
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000059
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=        0.0000000085
 Unscaled step for mode   57=       -0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=       -0.0000000057
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=       -0.0000000152
 Unscaled step for mode   64=       -0.0000000007
 Unscaled step for mode   65=        0.0000000092
 Unscaled step for mode   66=        0.0000000051
 Unscaled step for mode   67=       -0.0000000150
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000115
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=       -0.0000000103
 Unscaled step for mode   73=        0.0000000011
 Unscaled step for mode   74=        0.0000000008
 Unscaled step for mode   75=       -0.0000000024
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=       -0.0000000083
 Unscaled step for mode   79=       -0.0000000084
 Unscaled step for mode   80=        0.0000000062
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000145
 Unscaled step for mode   83=        0.0000000032
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000265
 Unscaled step for mode   86=        0.0000000068
 Unscaled step for mode   87=       -0.0000000113
 Unscaled step for mode   88=        0.0000000170
 Unscaled step for mode   89=        0.0000000318
 Unscaled step for mode   90=       -0.0000000376
 Unscaled step for mode   91=        0.0000000442
 Unscaled step for mode   92=        0.0000000630
 Unscaled step for mode   93=        0.0000000618
 Unscaled step for mode   94=        0.0000000130
 Unscaled step for mode   95=       -0.0000000369
 Unscaled step for mode   96=        0.0000000234
 Unscaled step for mode   97=        0.0000000640
 Unscaled step for mode   98=       -0.0000000105
 Unscaled step for mode   99=       -0.0000000451
 Unscaled step for mode  100=       -0.0000000400
 Unscaled step for mode  101=       -0.0000003210
 Unscaled step for mode  102=        0.0000000003
 Unscaled step for mode  103=       -0.0000000856
 Unscaled step for mode  104=        0.0000000461
 Unscaled step for mode  105=        0.0000002560
 Unscaled step for mode  106=        0.0000002265
 Unscaled step for mode  107=       -0.0000010122
 Unscaled step for mode  108=        0.0000013683
 Unscaled step for mode  109=        0.0000003675
 Unscaled step for mode  110=        0.0000006967
 Unscaled step for mode  111=        0.0000002153
 Unscaled step for mode  112=       -0.0032744344
 Unscaled step for mode  113=       -0.0178040821
 Unscaled step for mode  114=        0.2693126582
 Largest modulus ratio of non-zero e/values=           237.3363971    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.951930E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.150661E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.205454E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.275821E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.116389E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.455574E-14    0.974321E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175232E-06    0.746952E+03  0.234596E-09 0.100000E-04    0.988154E+00
   8   -0.395943E-06    0.673962E+03  0.587486E-09 0.100000E-04    0.952586E+00
   9   -0.694954E-06    0.630899E+03  0.110153E-08 0.100000E-04    0.947884E+00
  10   -0.198313E-07    0.600560E+03  0.330213E-10 0.100000E-04    0.424421E+00
  11    0.586578E-09    0.586330E+03 -0.100042E-11 0.109000E-04    0.164997E+00
  12   -0.992075E-06    0.578902E+03  0.171372E-08 0.100000E-04    0.944820E+00
  13    0.498129E-07    0.564618E+03 -0.882240E-10 0.100000E-04    0.911778E+00
  14    0.409988E-06    0.487428E+03 -0.841125E-09 0.100000E-04    0.933758E+00
  15   -0.420692E-06    0.460515E+03  0.913526E-09 0.100000E-04    0.940296E+00
  16   -0.113218E-06    0.459733E+03  0.246268E-09 0.100000E-04    0.810554E+00
  17   -0.567479E-06    0.441624E+03  0.128498E-08 0.100000E-04    0.909845E+00
  18   -0.389358E-06    0.429476E+03  0.906590E-09 0.100000E-04    0.933152E+00
  19   -0.170040E-06    0.421860E+03  0.403073E-09 0.100000E-04    0.708381E+00
  20   -0.350859E-06    0.407827E+03  0.860312E-09 0.100000E-04    0.924286E+00
  21   -0.404066E-06    0.396296E+03  0.101961E-08 0.100000E-04    0.920504E+00
  22   -0.625737E-06    0.387365E+03  0.161537E-08 0.100000E-04    0.992611E+00
  23    0.762701E-06    0.370064E+03 -0.206100E-08 0.100000E-04    0.924775E+00
  24   -0.419941E-06    0.360580E+03  0.116463E-08 0.100000E-04    0.980593E+00
  25   -0.103008E-06    0.349293E+03  0.294905E-09 0.100000E-04    0.404504E+00
  26   -0.780689E-07    0.335344E+03  0.232802E-09 0.100000E-04    0.194096E+01
  27    0.348177E-06    0.329367E+03 -0.105711E-08 0.100000E-04    0.889049E+00
  28   -0.369027E-06    0.321812E+03  0.114671E-08 0.100000E-04    0.895002E+00
  29   -0.474181E-07    0.319174E+03  0.148565E-09 0.100000E-04    0.392885E+00
  30   -0.133496E-05    0.309310E+03  0.431592E-08 0.100000E-04    0.960280E+00
  31   -0.101903E-05    0.300775E+03  0.338802E-08 0.100000E-04    0.956441E+00
  32   -0.122148E-05    0.290606E+03  0.420323E-08 0.100000E-04    0.969421E+00
  33   -0.535317E-08    0.279101E+03  0.191800E-10 0.109000E-04    0.957824E-01
  34   -0.656826E-07    0.272769E+03  0.240800E-09 0.100000E-04    0.313358E+01
  35    0.995291E-06    0.268556E+03 -0.370608E-08 0.100000E-04    0.969661E+00
  36    0.121987E-05    0.264977E+03 -0.460369E-08 0.100000E-04    0.984816E+00
  37   -0.472716E-06    0.263879E+03  0.179141E-08 0.100000E-04    0.897922E+00
  38   -0.135257E-06    0.253173E+03  0.534248E-09 0.100000E-04    0.969488E+00
  39   -0.447700E-06    0.241597E+03  0.185309E-08 0.100000E-04    0.894764E+00
  40   -0.120929E-05    0.240802E+03  0.502193E-08 0.100000E-04    0.986734E+00
  41   -0.982449E-06    0.234069E+03  0.419727E-08 0.100000E-04    0.989130E+00
  42   -0.164973E-05    0.227543E+03  0.725021E-08 0.100000E-04    0.963990E+00
  43    0.466155E-08    0.217186E+03 -0.214634E-10 0.109000E-04    0.138884E+00
  44   -0.189747E-05    0.214902E+03  0.882947E-08 0.100000E-04    0.969186E+00
  45    0.722178E-06    0.213240E+03 -0.338669E-08 0.100000E-04    0.982624E+00
  46    0.105666E-05    0.207712E+03 -0.508716E-08 0.100000E-04    0.985233E+00
  47   -0.723172E-06    0.202969E+03  0.356297E-08 0.100000E-04    0.967169E+00
  48   -0.115724E-05    0.195375E+03  0.592317E-08 0.100000E-04    0.926432E+00
  49    0.935490E-06    0.194868E+03 -0.480063E-08 0.100000E-04    0.948980E+00
  50    0.113365E-05    0.191396E+03 -0.592309E-08 0.100000E-04    0.875628E+00
  51    0.201731E-06    0.183012E+03 -0.110228E-08 0.100000E-04    0.860388E+00
  52   -0.580727E-06    0.174410E+03  0.332966E-08 0.100000E-04    0.927977E+00
  53   -0.156892E-06    0.172354E+03  0.910287E-09 0.100000E-04    0.829209E+00
  54    0.223075E-06    0.168236E+03 -0.132597E-08 0.100000E-04    0.933661E+00
  55   -0.808164E-06    0.163199E+03  0.495203E-08 0.100000E-04    0.991933E+00
  56   -0.132718E-05    0.156858E+03  0.846101E-08 0.100000E-04    0.973666E+00
  57    0.318901E-06    0.154949E+03 -0.205811E-08 0.100000E-04    0.831748E+00
  58    0.910096E-06    0.152242E+03 -0.597794E-08 0.100000E-04    0.998392E+00
  59   -0.614495E-06    0.146623E+03  0.419099E-08 0.100000E-04    0.999300E+00
  60    0.154321E-06    0.143319E+03 -0.107677E-08 0.100000E-04    0.725211E+00
  61    0.785207E-06    0.138130E+03 -0.568454E-08 0.100000E-04    0.812520E+00
  62   -0.920986E-06    0.135873E+03  0.677829E-08 0.100000E-04    0.969409E+00
  63    0.197971E-05    0.130273E+03 -0.151966E-07 0.100000E-04    0.916345E+00
  64    0.863522E-07    0.128855E+03 -0.670151E-09 0.100000E-04    0.436590E+00
  65   -0.117204E-05    0.126913E+03  0.923497E-08 0.100000E-04    0.882779E+00
  66   -0.632184E-06    0.123993E+03  0.509852E-08 0.100000E-04    0.886989E+00
  67    0.180555E-05    0.120025E+03 -0.150431E-07 0.100000E-04    0.961111E+00
  68    0.425512E-06    0.118177E+03 -0.360063E-08 0.100000E-04    0.931243E+00
  69   -0.482727E-08    0.116807E+03  0.413269E-10 0.109000E-04    0.933762E-01
  70    0.127342E-05    0.110380E+03 -0.115366E-07 0.100000E-04    0.944684E+00
  71   -0.671275E-06    0.106815E+03  0.628448E-08 0.100000E-04    0.912233E+00
  72    0.107945E-05    0.104470E+03 -0.103327E-07 0.100000E-04    0.841632E+00
  73   -0.108111E-06    0.102861E+03  0.105104E-08 0.100000E-04    0.724763E+00
  74   -0.831716E-07    0.995075E+02  0.835833E-09 0.109000E-04    0.379691E-01
  75    0.227313E-06    0.960759E+02 -0.236598E-08 0.100000E-04    0.563656E+00
  76    0.141091E-06    0.940870E+02 -0.149958E-08 0.100000E-04    0.844602E+00
  77   -0.156975E-05    0.919394E+02  0.170737E-07 0.100000E-04    0.957417E+00
  78    0.761801E-06    0.912467E+02 -0.834881E-08 0.100000E-04    0.966452E+00
  79    0.738877E-06    0.883823E+02 -0.836001E-08 0.100000E-04    0.981284E+00
  80   -0.533620E-06    0.856306E+02  0.623165E-08 0.100000E-04    0.914991E+00
  81    0.126693E-05    0.808407E+02 -0.156719E-07 0.100000E-04    0.993298E+00
  82   -0.116484E-05    0.805504E+02  0.144610E-07 0.100000E-04    0.929440E+00
  83   -0.252740E-06    0.779407E+02  0.324272E-08 0.100000E-04    0.676966E+00
  84    0.213660E-06    0.732700E+02 -0.291606E-08 0.100000E-04    0.502964E+00
  85    0.191930E-05    0.725149E+02 -0.264676E-07 0.100000E-04    0.886972E+00
  86   -0.464037E-06    0.678958E+02  0.683454E-08 0.100000E-04    0.830673E+00
  87    0.729588E-06    0.647213E+02 -0.112728E-07 0.100000E-04    0.776458E+00
  88   -0.104526E-05    0.613170E+02  0.170468E-07 0.100000E-04    0.951242E+00
  89   -0.190005E-05    0.598182E+02  0.317637E-07 0.100000E-04    0.945787E+00
  90    0.223473E-05    0.594073E+02 -0.376171E-07 0.100000E-04    0.974868E+00
  91   -0.256927E-05    0.581334E+02  0.441961E-07 0.100000E-04    0.915140E+00
  92   -0.351695E-05    0.558580E+02  0.629623E-07 0.100000E-04    0.946286E+00
  93   -0.324109E-05    0.524383E+02  0.618076E-07 0.100000E-04    0.981616E+00
  94   -0.674741E-06    0.520027E+02  0.129751E-07 0.100000E-04    0.808513E+00
  95    0.185595E-05    0.502837E+02 -0.369095E-07 0.100000E-04    0.883789E+00
  96   -0.107987E-05    0.461275E+02  0.234106E-07 0.100000E-04    0.916294E+00
  97   -0.277832E-05    0.433819E+02  0.640432E-07 0.100000E-04    0.879091E+00
  98    0.430051E-06    0.409245E+02 -0.105084E-07 0.100000E-04    0.627197E+00
  99    0.170936E-05    0.378648E+02 -0.451438E-07 0.100000E-04    0.799299E+00
 100    0.144712E-05    0.361829E+02 -0.399946E-07 0.100000E-04    0.886561E+00
 101    0.103508E-04    0.322412E+02 -0.321045E-06 0.100000E-04    0.937406E+00
 102   -0.833660E-08    0.289259E+02  0.288205E-09 0.109000E-04    0.289154E-01
 103    0.243522E-05    0.284570E+02 -0.855754E-07 0.100000E-04    0.960065E+00
 104   -0.121308E-05    0.263196E+02  0.460902E-07 0.100000E-04    0.569775E+00
 105   -0.597195E-05    0.233257E+02  0.256025E-06 0.100000E-04    0.925867E+00
 106   -0.483461E-05    0.213446E+02  0.226503E-06 0.100000E-04    0.963939E+00
 107    0.200885E-04    0.198470E+02 -0.101217E-05 0.100000E-04    0.917993E+00
 108   -0.225067E-04    0.164484E+02  0.136832E-05 0.100000E-04    0.928278E+00
 109   -0.511290E-05    0.139130E+02  0.367491E-06 0.100000E-04    0.956968E+00
 110   -0.853142E-05    0.122448E+02  0.696738E-06 0.100000E-04    0.845567E+00
 111   -0.217137E-05    0.100854E+02  0.215298E-06 0.100000E-04    0.772116E+00
 112    0.300383E-01    0.917349E+01 -0.100000E-04 0.100000E-04    0.550997E+00
 113    0.102583E+00    0.575993E+01 -0.209952E-04 0.209952E-04    0.144668E+00
 114    0.913872E+00    0.314723E+01  0.100000E-04 0.100000E-04    0.786367E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2099519889E-04    0.2693126582    

 Beginning of optimization cycle  679.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989608790
 potential> RMS force:                                               0.0861767893   |gradient|=.9201163229    
 Eigenvalues of the Hessian matrix:
   746.95620    673.96024    630.90227    600.55823    586.32942    578.90165 
   564.61427    487.42730    460.51369    459.73281    441.62317    429.47703 
   421.85897    407.82571    396.29531    387.36384    370.06427    360.58021 
   349.29243    335.34474    329.36746    321.81205    319.17466    309.30918 
   300.77491    290.60567    279.10239    272.76929    268.55622    264.97731 
   263.87963    253.17265    241.59707    240.80188    234.06938    227.54285 
   217.18702    214.90220    213.23971    207.71203    202.96867    195.37414 
   194.86840    191.39602    183.01299    174.41104    172.35460    168.23591 
   163.19823    156.85798    154.94914    152.24210    146.62213    143.31834 
   138.13084    135.87296    130.27298    128.85508    126.91314    123.99236 
   120.02476    118.17710    116.80666    110.38066    106.81458    104.46972 
   102.86092     99.50739     96.07574     94.08681     91.93901     91.24693 
    88.38178     85.63090     80.84076     80.55103     77.94050     73.26974 
    72.51432     67.89552     64.72087     61.31662     59.81795     59.40742 
    58.13335     55.85780     52.43822     52.00231     50.28430     46.12709 
    43.38245     40.92463     37.86472     36.18255     32.24078     28.92626 
    28.45708     26.31990     23.32559     21.34483     19.84688     16.44828 
    13.91306     12.24483     10.08533      9.17500      5.76009      3.14692 
overlap for current and previous eigenvector    109 is         0.9999999886
overlap for current and previous eigenvector    110 is        -0.9999999986
overlap for current and previous eigenvector    111 is        -0.9999999541
overlap for current and previous eigenvector    112 is        -0.9999999231
overlap for current and previous eigenvector    113 is         0.9999999385
overlap for current and previous eigenvector    114 is         0.9999999681
J1,K1,R1,R2,RAT=   7   7    0.4529733584E-02     1.995460246        0.9954602458    
FOB,PFOB,DIAG,PSTEP=   -0.1744380345E-06   -0.1752317918E-06     746.9562020        0.2345956420E-09
J1,K1,R1,R2,RAT=   8   8   -0.4077781927E-01     2.040781893        0.9592221807    
FOB,PFOB,DIAG,PSTEP=   -0.4120890027E-06   -0.3959433300E-06     673.9602435        0.5874864689E-09
J1,K1,R1,R2,RAT=   9   9   -0.4443757740E-01     2.044428462        0.9555624226    
FOB,PFOB,DIAG,PSTEP=   -0.7258362739E-06   -0.6949540584E-06     630.9022708        0.1101529124E-08
J1,K1,R1,R2,RAT=  10  10    -1.149678312         3.149685653        0.1496783121    
FOB,PFOB,DIAG,PSTEP=   -0.4263079976E-07   -0.1983128508E-07     600.5582333        0.3302129784E-10
J1,K1,R1,R2,RAT=  11  11    -2.476847019         4.476848738         1.476847019    
FOB,PFOB,DIAG,PSTEP=    0.2039440760E-08    0.5865780109E-09     586.3294216       -0.1000423116E-11
J1,K1,R1,R2,RAT= 109 109   -0.3917505984E-01     2.039166475        0.9608249402    
FOB,PFOB,DIAG,PSTEP=   -0.5313203092E-05   -0.5112903915E-05     13.91306179        0.3674910627E-06
J1,K1,R1,R2,RAT= 110 110     2.150758086       -0.1507618675        0.8492381325    
FOB,PFOB,DIAG,PSTEP=    0.9817640780E-05   -0.8531424812E-05     12.24483494        0.6967379293E-06
J1,K1,R1,R2,RAT= 111 111     2.297697038       -0.2976852247        0.7023147753    
FOB,PFOB,DIAG,PSTEP=    0.2817748342E-05   -0.2171367992E-05     10.08532860        0.2152984055E-06
J1,K1,R1,R2,RAT= 112 112     654.3650008        0.4212677683        0.5787322317    
FOB,PFOB,DIAG,PSTEP=   -0.2999965477E-01    0.3003830607E-01     9.174995724       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7989971283         1697.302333        0.2010028717    
FOB,PFOB,DIAG,PSTEP=    0.1026793424        0.1025827163         5.760092786       -0.2099519889E-04
J1,K1,R1,R2,RAT= 114 114    0.1684915978        -58080.63676        0.8315084022    
FOB,PFOB,DIAG,PSTEP=    0.9138769170        0.9138716148         3.146915450        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
    -0.00000     -0.00000     -0.00001     -0.00000      0.00002     -0.00002 
    -0.00001      0.00001      0.00000     -0.03000      0.10268      0.91388 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3808546123
 Log product of positive Hessian eigenvalues =          519.0769648428
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1469154500
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=        0.0000000086
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=       -0.0000000059
 Unscaled step for mode   59=       -0.0000000042
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=       -0.0000000068
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000163
 Unscaled step for mode   64=       -0.0000000014
 Unscaled step for mode   65=       -0.0000000103
 Unscaled step for mode   66=       -0.0000000057
 Unscaled step for mode   67=       -0.0000000155
 Unscaled step for mode   68=        0.0000000038
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000121
 Unscaled step for mode   71=       -0.0000000068
 Unscaled step for mode   72=       -0.0000000092
 Unscaled step for mode   73=        0.0000000014
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=       -0.0000000011
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000165
 Unscaled step for mode   78=       -0.0000000085
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=        0.0000000067
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000154
 Unscaled step for mode   83=       -0.0000000026
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=       -0.0000000293
 Unscaled step for mode   86=       -0.0000000080
 Unscaled step for mode   87=       -0.0000000139
 Unscaled step for mode   88=        0.0000000163
 Unscaled step for mode   89=        0.0000000333
 Unscaled step for mode   90=       -0.0000000383
 Unscaled step for mode   91=        0.0000000472
 Unscaled step for mode   92=        0.0000000657
 Unscaled step for mode   93=       -0.0000000625
 Unscaled step for mode   94=       -0.0000000111
 Unscaled step for mode   95=       -0.0000000411
 Unscaled step for mode   96=       -0.0000000249
 Unscaled step for mode   97=        0.0000000712
 Unscaled step for mode   98=       -0.0000000159
 Unscaled step for mode   99=        0.0000000546
 Unscaled step for mode  100=        0.0000000442
 Unscaled step for mode  101=       -0.0000003374
 Unscaled step for mode  102=       -0.0000000080
 Unscaled step for mode  103=        0.0000000886
 Unscaled step for mode  104=        0.0000000356
 Unscaled step for mode  105=        0.0000002722
 Unscaled step for mode  106=        0.0000002329
 Unscaled step for mode  107=       -0.0000010837
 Unscaled step for mode  108=        0.0000014518
 Unscaled step for mode  109=        0.0000003819
 Unscaled step for mode  110=       -0.0000008018
 Unscaled step for mode  111=       -0.0000002794
 Unscaled step for mode  112=        0.0032696837
 Unscaled step for mode  113=       -0.0178203267
 Unscaled step for mode  114=        0.2693373593
 Largest modulus ratio of non-zero e/values=           237.3613825    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.128510E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.197135E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.383374E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.683589E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.570681E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.354100E-14    0.974321E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174438E-06    0.746956E+03  0.233532E-09 0.100000E-04    0.995460E+00
   8   -0.412089E-06    0.673960E+03  0.611444E-09 0.100000E-04    0.959222E+00
   9   -0.725836E-06    0.630902E+03  0.115047E-08 0.100000E-04    0.955562E+00
  10   -0.426308E-07    0.600558E+03  0.709853E-10 0.109000E-04    0.149678E+00
  11    0.203944E-08    0.586329E+03 -0.347832E-11 0.100000E-04    0.147685E+01
  12   -0.103984E-05    0.578902E+03  0.179623E-08 0.100000E-04    0.951855E+00
  13    0.462221E-07    0.564614E+03 -0.818650E-10 0.100000E-04    0.927915E+00
  14    0.434771E-06    0.487427E+03 -0.891971E-09 0.100000E-04    0.939551E+00
  15   -0.442352E-06    0.460514E+03  0.960563E-09 0.100000E-04    0.948513E+00
  16   -0.134973E-06    0.459733E+03  0.293589E-09 0.100000E-04    0.807847E+00
  17   -0.614457E-06    0.441623E+03  0.139136E-08 0.100000E-04    0.917215E+00
  18   -0.411730E-06    0.429477E+03  0.958678E-09 0.100000E-04    0.942542E+00
  19   -0.137820E-06    0.421859E+03  0.326696E-09 0.100000E-04    0.810513E+00
  20   -0.374282E-06    0.407826E+03  0.917751E-09 0.100000E-04    0.933239E+00
  21   -0.432799E-06    0.396295E+03  0.109211E-08 0.100000E-04    0.928890E+00
  22   -0.628066E-06    0.387364E+03  0.162138E-08 0.100000E-04    0.996278E+00
  23    0.814029E-06    0.370064E+03 -0.219970E-08 0.100000E-04    0.932702E+00
  24   -0.426304E-06    0.360580E+03  0.118227E-08 0.100000E-04    0.984848E+00
  25   -0.702771E-07    0.349292E+03  0.201198E-09 0.100000E-04    0.682245E+00
  26   -0.312351E-07    0.335345E+03  0.931433E-10 0.100000E-04    0.400094E+00
  27    0.382862E-06    0.329367E+03 -0.116241E-08 0.100000E-04    0.900383E+00
  28   -0.403395E-06    0.321812E+03  0.125351E-08 0.100000E-04    0.906869E+00
  29   -0.104341E-06    0.319175E+03  0.326910E-09 0.100000E-04    0.200453E+00
  30   -0.137484E-05    0.309309E+03  0.444486E-08 0.100000E-04    0.970128E+00
  31   -0.105625E-05    0.300775E+03  0.351176E-08 0.100000E-04    0.963479E+00
  32   -0.125069E-05    0.290606E+03  0.430374E-08 0.100000E-04    0.976089E+00
  33   -0.465684E-07    0.279102E+03  0.166851E-09 0.100000E-04    0.669919E+01
  34   -0.233917E-07    0.272769E+03  0.857565E-10 0.100000E-04    0.356131E+00
  35    0.101791E-05    0.268556E+03 -0.379032E-08 0.100000E-04    0.977269E+00
  36    0.123377E-05    0.264977E+03 -0.465613E-08 0.100000E-04    0.988607E+00
  37   -0.517512E-06    0.263880E+03  0.196117E-08 0.100000E-04    0.905237E+00
  38   -0.131581E-06    0.253173E+03  0.519727E-09 0.100000E-04    0.972819E+00
  39   -0.414629E-06    0.241597E+03  0.171620E-08 0.100000E-04    0.926129E+00
  40   -0.122072E-05    0.240802E+03  0.506941E-08 0.100000E-04    0.990543E+00
  41   -0.974109E-06    0.234069E+03  0.416162E-08 0.100000E-04    0.991504E+00
  42   -0.169475E-05    0.227543E+03  0.744803E-08 0.100000E-04    0.972715E+00
  43    0.421419E-08    0.217187E+03 -0.194035E-10 0.100000E-04    0.904025E+00
  44   -0.194500E-05    0.214902E+03  0.905063E-08 0.100000E-04    0.974952E+00
  45    0.709725E-06    0.213240E+03 -0.332830E-08 0.100000E-04    0.982757E+00
  46    0.107087E-05    0.207712E+03 -0.515555E-08 0.100000E-04    0.986553E+00
  47   -0.743690E-06    0.202969E+03  0.366406E-08 0.100000E-04    0.971627E+00
  48   -0.122888E-05    0.195374E+03  0.628990E-08 0.100000E-04    0.938090E+00
  49    0.977809E-06    0.194868E+03 -0.501779E-08 0.100000E-04    0.954763E+00
  50    0.126436E-05    0.191396E+03 -0.660601E-08 0.100000E-04    0.884699E+00
  51    0.228041E-06    0.183013E+03 -0.124604E-08 0.100000E-04    0.869583E+00
  52   -0.616073E-06    0.174411E+03  0.353230E-08 0.100000E-04    0.939135E+00
  53    0.138603E-06    0.172355E+03 -0.804175E-09 0.100000E-04    0.883429E+00
  54    0.210877E-06    0.168236E+03 -0.125346E-08 0.100000E-04    0.945312E+00
  55   -0.798536E-06    0.163198E+03  0.489305E-08 0.100000E-04    0.988087E+00
  56   -0.135615E-05    0.156858E+03  0.864575E-08 0.100000E-04    0.978168E+00
  57   -0.374063E-06    0.154949E+03  0.241410E-08 0.100000E-04    0.827025E+00
  58    0.905755E-06    0.152242E+03 -0.594944E-08 0.100000E-04    0.995230E+00
  59    0.612037E-06    0.146622E+03 -0.417425E-08 0.100000E-04    0.996001E+00
  60    0.204325E-06    0.143318E+03 -0.142567E-08 0.100000E-04    0.675974E+00
  61    0.935074E-06    0.138131E+03 -0.676948E-08 0.100000E-04    0.809137E+00
  62   -0.942521E-06    0.135873E+03  0.693678E-08 0.100000E-04    0.976618E+00
  63   -0.212511E-05    0.130273E+03  0.163127E-07 0.100000E-04    0.926556E+00
  64    0.176548E-06    0.128855E+03 -0.137013E-08 0.109000E-04    0.445048E-01
  65    0.130196E-05    0.126913E+03 -0.102587E-07 0.100000E-04    0.889145E+00
  66    0.700673E-06    0.123992E+03 -0.565094E-08 0.100000E-04    0.891662E+00
  67    0.186334E-05    0.120025E+03 -0.155246E-07 0.100000E-04    0.967994E+00
  68   -0.451202E-06    0.118177E+03  0.381801E-08 0.100000E-04    0.939627E+00
  69    0.455319E-07    0.116807E+03 -0.389805E-09 0.100000E-04    0.743224E+01
  70    0.133355E-05    0.110381E+03 -0.120814E-07 0.100000E-04    0.952775E+00
  71    0.724614E-06    0.106815E+03 -0.678384E-08 0.100000E-04    0.920542E+00
  72    0.957937E-06    0.104470E+03 -0.916951E-08 0.100000E-04    0.887423E+00
  73   -0.141355E-06    0.102861E+03  0.137423E-08 0.100000E-04    0.692504E+00
  74    0.459832E-07    0.995074E+02 -0.462109E-09 0.100000E-04    0.552872E+00
  75    0.110025E-06    0.960757E+02 -0.114519E-08 0.100000E-04    0.484023E+00
  76    0.160964E-06    0.940868E+02 -0.171081E-08 0.100000E-04    0.859143E+00
  77   -0.151400E-05    0.919390E+02  0.164674E-07 0.100000E-04    0.964487E+00
  78    0.779894E-06    0.912469E+02 -0.854708E-08 0.100000E-04    0.976250E+00
  79    0.747599E-06    0.883818E+02 -0.845874E-08 0.100000E-04    0.988196E+00
  80   -0.575801E-06    0.856309E+02  0.672422E-08 0.100000E-04    0.920953E+00
  81    0.127088E-05    0.808408E+02 -0.157208E-07 0.100000E-04    0.996878E+00
  82   -0.123649E-05    0.805510E+02  0.153503E-07 0.100000E-04    0.938495E+00
  83    0.200921E-06    0.779405E+02 -0.257788E-08 0.100000E-04    0.794973E+00
  84    0.387481E-06    0.732697E+02 -0.528842E-08 0.109000E-04    0.186456E+00
  85    0.212596E-05    0.725143E+02 -0.293178E-07 0.100000E-04    0.892323E+00
  86    0.540352E-06    0.678955E+02 -0.795857E-08 0.100000E-04    0.835541E+00
  87    0.898403E-06    0.647209E+02 -0.138812E-07 0.100000E-04    0.768615E+00
  88   -0.998316E-06    0.613166E+02  0.162813E-07 0.100000E-04    0.955089E+00
  89   -0.199091E-05    0.598179E+02  0.332828E-07 0.100000E-04    0.952182E+00
  90    0.227749E-05    0.594074E+02 -0.383367E-07 0.100000E-04    0.980869E+00
  91   -0.274448E-05    0.581334E+02  0.472101E-07 0.100000E-04    0.931806E+00
  92   -0.367077E-05    0.558578E+02  0.657163E-07 0.100000E-04    0.956265E+00
  93    0.327942E-05    0.524382E+02 -0.625387E-07 0.100000E-04    0.988174E+00
  94    0.577977E-06    0.520023E+02 -0.111144E-07 0.100000E-04    0.856589E+00
  95    0.206530E-05    0.502843E+02 -0.410725E-07 0.100000E-04    0.887197E+00
  96    0.114840E-05    0.461271E+02 -0.248965E-07 0.100000E-04    0.936539E+00
  97   -0.308962E-05    0.433825E+02  0.712182E-07 0.100000E-04    0.887953E+00
  98    0.650445E-06    0.409246E+02 -0.158937E-07 0.100000E-04    0.487518E+00
  99   -0.206743E-05    0.378647E+02  0.546005E-07 0.100000E-04    0.790521E+00
 100   -0.159876E-05    0.361826E+02  0.441860E-07 0.100000E-04    0.895210E+00
 101    0.108766E-04    0.322408E+02 -0.337355E-06 0.100000E-04    0.949209E+00
 102    0.231880E-06    0.289263E+02 -0.801625E-08 0.100000E-04    0.258144E+02
 103   -0.252059E-05    0.284571E+02  0.885753E-07 0.100000E-04    0.964943E+00
 104   -0.936068E-06    0.263199E+02  0.355650E-07 0.100000E-04    0.771628E+00
 105   -0.634972E-05    0.233256E+02  0.272221E-06 0.100000E-04    0.936743E+00
 106   -0.497153E-05    0.213448E+02  0.232915E-06 0.100000E-04    0.971679E+00
 107    0.215076E-04    0.198469E+02 -0.108368E-05 0.100000E-04    0.929360E+00
 108   -0.238800E-04    0.164483E+02  0.145182E-05 0.100000E-04    0.938982E+00
 109   -0.531320E-05    0.139131E+02  0.381886E-06 0.100000E-04    0.960825E+00
 110    0.981764E-05    0.122448E+02 -0.801778E-06 0.100000E-04    0.849238E+00
 111    0.281775E-05    0.100853E+02 -0.279391E-06 0.100000E-04    0.702315E+00
 112   -0.299997E-01    0.917500E+01  0.100000E-04 0.100000E-04    0.578732E+00
 113    0.102679E+00    0.576009E+01 -0.189146E-04 0.189146E-04    0.201003E+00
 114    0.913877E+00    0.314692E+01  0.100000E-04 0.100000E-04    0.831508E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1891459360E-04    0.2693373593    

 Beginning of optimization cycle  680.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989539808
 potential> RMS force:                                               0.0861782979   |gradient|=.9201324304    
 Eigenvalues of the Hessian matrix:
   746.95984    673.95909    630.90504    600.55601    586.32899    578.90174 
   564.61049    487.42702    460.51246    459.73230    441.62268    429.47816 
   421.85835    407.82420    396.29478    387.36247    370.06472    360.58035 
   349.29169    335.34533    329.36826    321.81185    319.17521    309.30808 
   300.77431    290.60572    279.10375    272.76973    268.55642    264.97760 
   263.88012    253.17205    241.59735    240.80219    234.07008    227.54310 
   217.18769    214.90233    213.23945    207.71249    202.96829    195.37337 
   194.86871    191.39646    183.01366    174.41173    172.35483    168.23616 
   163.19794    156.85777    154.94962    152.24193    146.62159    143.31798 
   138.13132    135.87295    130.27277    128.85527    126.91334    123.99132 
   120.02494    118.17723    116.80628    110.38089    106.81445    104.46994 
   102.86100     99.50733     96.07557     94.08660     91.93861     91.24712 
    88.38130     85.63117     80.84085     80.55165     77.94029     73.26957 
    72.51381     67.89526     64.72047     61.31620     59.81769     59.40752 
    58.13334     55.85760     52.43813     52.00197     50.28485     46.12670 
    43.38298     40.92474     37.86470     36.18228     32.24043     28.92658 
    28.45714     26.32017     23.32548     21.34509     19.84677     16.44818 
    13.91312     12.24486     10.08527      9.17641      5.76024      3.14661 
overlap for current and previous eigenvector    109 is         0.9999999901
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999613
overlap for current and previous eigenvector    112 is         0.9999999338
overlap for current and previous eigenvector    113 is         0.9999999457
overlap for current and previous eigenvector    114 is         0.9999999723
J1,K1,R1,R2,RAT=   7   7   -0.1165192529E-01     2.011642193        0.9883480747    
FOB,PFOB,DIAG,PSTEP=   -0.1764705833E-06   -0.1744380345E-06     746.9598368        0.2335318109E-09
J1,K1,R1,R2,RAT=   8   8    0.4695330529E-01     1.953050105        0.9530466947    
FOB,PFOB,DIAG,PSTEP=   -0.3927400950E-06   -0.4120890027E-06     673.9590943        0.6114440825E-09
J1,K1,R1,R2,RAT=   9   9    0.5162055899E-01     1.948370668        0.9483706678    
FOB,PFOB,DIAG,PSTEP=   -0.6883680354E-06   -0.7258362739E-06     630.9050384        0.1150473389E-08
J1,K1,R1,R2,RAT=  10  10    0.6203787764         1.379628637        0.3796212236    
FOB,PFOB,DIAG,PSTEP=   -0.1618365439E-07   -0.4263079976E-07     600.5560073        0.7098528901E-10
J1,K1,R1,R2,RAT=  11  11     1.414660131        0.5853413373        0.4146586627    
FOB,PFOB,DIAG,PSTEP=   -0.8456726544E-09    0.2039440760E-08     586.3289911       -0.3478318987E-11
J1,K1,R1,R2,RAT= 109 109    0.4230962069E-01     1.957681949        0.9576819489    
FOB,PFOB,DIAG,PSTEP=   -0.5088402537E-05   -0.5313203092E-05     13.91312043        0.3818859697E-06
J1,K1,R1,R2,RAT= 110 110    0.1558851241         1.844111064        0.8441110635    
FOB,PFOB,DIAG,PSTEP=    0.8287213712E-05    0.9817640780E-05     12.24485828       -0.8017781235E-06
J1,K1,R1,R2,RAT= 111 111    0.2247892451         1.775223127        0.7752107549    
FOB,PFOB,DIAG,PSTEP=    0.2184352738E-05    0.2817748342E-05     10.08526621       -0.2793908315E-06
J1,K1,R1,R2,RAT= 112 112    0.4550147960         653.3877768        0.5449852040    
FOB,PFOB,DIAG,PSTEP=   -0.2995790074E-01   -0.2999965477E-01     9.176412176        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8610919114         1885.705407        0.1389080886    
FOB,PFOB,DIAG,PSTEP=    0.1027731606        0.1026793424         5.760239965       -0.1891459360E-04
J1,K1,R1,R2,RAT= 114 114    0.2237825015        -58086.63090        0.7762174985    
FOB,PFOB,DIAG,PSTEP=    0.9138839586        0.9138769170         3.146611961        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001     -0.00000      0.00002     -0.00002 
    -0.00001      0.00001      0.00000     -0.02996      0.10277      0.91388 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3808319766
 Log product of positive Hessian eigenvalues =          519.0770256177
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1466119612
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000008
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000003
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=       -0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000058
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000009
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=        0.0000000084
 Unscaled step for mode   57=        0.0000000020
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=       -0.0000000042
 Unscaled step for mode   60=       -0.0000000010
 Unscaled step for mode   61=       -0.0000000055
 Unscaled step for mode   62=        0.0000000067
 Unscaled step for mode   63=        0.0000000149
 Unscaled step for mode   64=       -0.0000000005
 Unscaled step for mode   65=       -0.0000000091
 Unscaled step for mode   66=       -0.0000000050
 Unscaled step for mode   67=       -0.0000000149
 Unscaled step for mode   68=        0.0000000036
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=       -0.0000000114
 Unscaled step for mode   71=       -0.0000000062
 Unscaled step for mode   72=       -0.0000000106
 Unscaled step for mode   73=        0.0000000010
 Unscaled step for mode   74=       -0.0000000009
 Unscaled step for mode   75=       -0.0000000026
 Unscaled step for mode   76=       -0.0000000014
 Unscaled step for mode   77=        0.0000000172
 Unscaled step for mode   78=       -0.0000000083
 Unscaled step for mode   79=       -0.0000000083
 Unscaled step for mode   80=        0.0000000062
 Unscaled step for mode   81=       -0.0000000156
 Unscaled step for mode   82=        0.0000000143
 Unscaled step for mode   83=       -0.0000000034
 Unscaled step for mode   84=       -0.0000000025
 Unscaled step for mode   85=       -0.0000000260
 Unscaled step for mode   86=       -0.0000000066
 Unscaled step for mode   87=       -0.0000000107
 Unscaled step for mode   88=        0.0000000171
 Unscaled step for mode   89=        0.0000000315
 Unscaled step for mode   90=       -0.0000000374
 Unscaled step for mode   91=        0.0000000432
 Unscaled step for mode   92=        0.0000000622
 Unscaled step for mode   93=       -0.0000000614
 Unscaled step for mode   94=       -0.0000000132
 Unscaled step for mode   95=       -0.0000000363
 Unscaled step for mode   96=       -0.0000000228
 Unscaled step for mode   97=        0.0000000626
 Unscaled step for mode   98=       -0.0000000098
 Unscaled step for mode   99=        0.0000000435
 Unscaled step for mode  100=        0.0000000392
 Unscaled step for mode  101=       -0.0000003163
 Unscaled step for mode  102=        0.0000000015
 Unscaled step for mode  103=        0.0000000851
 Unscaled step for mode  104=        0.0000000492
 Unscaled step for mode  105=        0.0000002521
 Unscaled step for mode  106=        0.0000002246
 Unscaled step for mode  107=       -0.0000009948
 Unscaled step for mode  108=        0.0000013480
 Unscaled step for mode  109=        0.0000003657
 Unscaled step for mode  110=       -0.0000006768
 Unscaled step for mode  111=       -0.0000002166
 Unscaled step for mode  112=        0.0032646290
 Unscaled step for mode  113=       -0.0178361433
 Unscaled step for mode  114=        0.2693616170
 Largest modulus ratio of non-zero e/values=           237.3854311    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.960495E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.175164E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.508965E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.267906E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.374837E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.412409E-14    0.974321E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176471E-06    0.746960E+03  0.236252E-09 0.100000E-04    0.988348E+00
   8   -0.392740E-06    0.673959E+03  0.582736E-09 0.100000E-04    0.953047E+00
   9   -0.688368E-06    0.630905E+03  0.109108E-08 0.100000E-04    0.948371E+00
  10   -0.161837E-07    0.600556E+03  0.269478E-10 0.100000E-04    0.379621E+00
  11   -0.845673E-09    0.586329E+03  0.144232E-11 0.100000E-04    0.414659E+00
  12   -0.982994E-06    0.578902E+03  0.169803E-08 0.100000E-04    0.945333E+00
  13    0.502025E-07    0.564610E+03 -0.889153E-10 0.100000E-04    0.913885E+00
  14    0.406227E-06    0.487427E+03 -0.833411E-09 0.100000E-04    0.934348E+00
  15   -0.416125E-06    0.460512E+03  0.903613E-09 0.100000E-04    0.940709E+00
  16   -0.108976E-06    0.459732E+03  0.237043E-09 0.100000E-04    0.807396E+00
  17   -0.559236E-06    0.441623E+03  0.126632E-08 0.100000E-04    0.910129E+00
  18   -0.384354E-06    0.429478E+03  0.894932E-09 0.100000E-04    0.933504E+00
  19   -0.175580E-06    0.421858E+03  0.416205E-09 0.100000E-04    0.726020E+00
  20   -0.346083E-06    0.407824E+03  0.848607E-09 0.100000E-04    0.924656E+00
  21   -0.398530E-06    0.396295E+03  0.100564E-08 0.100000E-04    0.920820E+00
  22   -0.623548E-06    0.387362E+03  0.160973E-08 0.100000E-04    0.992807E+00
  23    0.753140E-06    0.370065E+03 -0.203516E-08 0.100000E-04    0.925197E+00
  24   -0.418192E-06    0.360580E+03  0.115977E-08 0.100000E-04    0.980971E+00
  25   -0.108075E-06    0.349292E+03  0.309413E-09 0.100000E-04    0.462152E+00
  26   -0.885427E-07    0.335345E+03  0.264034E-09 0.100000E-04    0.834713E+00
  27    0.340188E-06    0.329368E+03 -0.103285E-08 0.100000E-04    0.888536E+00
  28   -0.360864E-06    0.321812E+03  0.112135E-08 0.100000E-04    0.894569E+00
  29   -0.322860E-07    0.319175E+03  0.101154E-09 0.100000E-04    0.309424E+00
  30   -0.132064E-05    0.309308E+03  0.426966E-08 0.100000E-04    0.960580E+00
  31   -0.101072E-05    0.300774E+03  0.336041E-08 0.100000E-04    0.956898E+00
  32   -0.121291E-05    0.290606E+03  0.417373E-08 0.100000E-04    0.969791E+00
  33    0.313764E-08    0.279104E+03 -0.112418E-10 0.109000E-04    0.673717E-01
  34   -0.754283E-07    0.272770E+03  0.276527E-09 0.100000E-04    0.122457E+01
  35    0.987390E-06    0.268556E+03 -0.367666E-08 0.100000E-04    0.970011E+00
  36    0.121542E-05    0.264978E+03 -0.458690E-08 0.100000E-04    0.985129E+00
  37   -0.464738E-06    0.263880E+03  0.176117E-08 0.100000E-04    0.898021E+00
  38   -0.135553E-06    0.253172E+03  0.535420E-09 0.100000E-04    0.969807E+00
  39   -0.456564E-06    0.241597E+03  0.188977E-08 0.100000E-04    0.898862E+00
  40   -0.120483E-05    0.240802E+03  0.500340E-08 0.100000E-04    0.986976E+00
  41   -0.984594E-06    0.234070E+03  0.420641E-08 0.100000E-04    0.989236E+00
  42   -0.163433E-05    0.227543E+03  0.718249E-08 0.100000E-04    0.964347E+00
  43    0.630368E-08    0.217188E+03 -0.290241E-10 0.100000E-04    0.504181E+00
  44   -0.188591E-05    0.214902E+03  0.877567E-08 0.100000E-04    0.969620E+00
  45    0.721904E-06    0.213239E+03 -0.338542E-08 0.100000E-04    0.982840E+00
  46    0.105540E-05    0.207712E+03 -0.508107E-08 0.100000E-04    0.985550E+00
  47   -0.719643E-06    0.202968E+03  0.354559E-08 0.100000E-04    0.967665E+00
  48   -0.113861E-05    0.195373E+03  0.582787E-08 0.100000E-04    0.926541E+00
  49    0.928381E-06    0.194869E+03 -0.476414E-08 0.100000E-04    0.949447E+00
  50    0.110630E-05    0.191396E+03 -0.578014E-08 0.100000E-04    0.874980E+00
  51    0.195877E-06    0.183014E+03 -0.107029E-08 0.100000E-04    0.858950E+00
  52   -0.571802E-06    0.174412E+03  0.327846E-08 0.100000E-04    0.928133E+00
  53    0.161059E-06    0.172355E+03 -0.934462E-09 0.100000E-04    0.837984E+00
  54    0.224527E-06    0.168236E+03 -0.133459E-08 0.100000E-04    0.935270E+00
  55   -0.805019E-06    0.163198E+03  0.493277E-08 0.100000E-04    0.991882E+00
  56   -0.132100E-05    0.156858E+03  0.842164E-08 0.100000E-04    0.974077E+00
  57   -0.310715E-06    0.154950E+03  0.200526E-08 0.100000E-04    0.830643E+00
  58    0.907253E-06    0.152242E+03 -0.595928E-08 0.100000E-04    0.998346E+00
  59    0.612546E-06    0.146622E+03 -0.417773E-08 0.100000E-04    0.999169E+00
  60    0.146870E-06    0.143318E+03 -0.102478E-08 0.100000E-04    0.718804E+00
  61    0.757101E-06    0.138131E+03 -0.548103E-08 0.100000E-04    0.809663E+00
  62   -0.914000E-06    0.135873E+03  0.672688E-08 0.100000E-04    0.969741E+00
  63   -0.194755E-05    0.130273E+03  0.149498E-07 0.100000E-04    0.916446E+00
  64    0.669184E-07    0.128855E+03 -0.519330E-09 0.100000E-04    0.379037E+00
  65    0.114919E-05    0.126913E+03 -0.905488E-08 0.100000E-04    0.882653E+00
  66    0.621491E-06    0.123991E+03 -0.501237E-08 0.100000E-04    0.886990E+00
  67    0.179173E-05    0.120025E+03 -0.149280E-07 0.100000E-04    0.961568E+00
  68   -0.420387E-06    0.118177E+03  0.355726E-08 0.100000E-04    0.931704E+00
  69   -0.998499E-08    0.116806E+03  0.854834E-10 0.100000E-04    0.219294E+00
  70    0.126044E-05    0.110381E+03 -0.114190E-07 0.100000E-04    0.945172E+00
  71    0.661044E-06    0.106814E+03 -0.618871E-08 0.100000E-04    0.912271E+00
  72    0.110310E-05    0.104470E+03 -0.105590E-07 0.100000E-04    0.848463E+00
  73   -0.101114E-06    0.102861E+03  0.983016E-09 0.100000E-04    0.715319E+00
  74    0.875623E-07    0.995073E+02 -0.879958E-09 0.109000E-04    0.957773E-01
  75    0.246341E-06    0.960756E+02 -0.256403E-08 0.100000E-04    0.238952E+00
  76    0.135630E-06    0.940866E+02 -0.144154E-08 0.100000E-04    0.842606E+00
  77   -0.157712E-05    0.919386E+02  0.171540E-07 0.100000E-04    0.958310E+00
  78    0.753963E-06    0.912471E+02 -0.826287E-08 0.100000E-04    0.966747E+00
  79    0.733728E-06    0.883813E+02 -0.830185E-08 0.100000E-04    0.981447E+00
  80   -0.527007E-06    0.856312E+02  0.615438E-08 0.100000E-04    0.915252E+00
  81    0.126259E-05    0.808408E+02 -0.156182E-07 0.100000E-04    0.993470E+00
  82   -0.114964E-05    0.805517E+02  0.142721E-07 0.100000E-04    0.929749E+00
  83    0.261759E-06    0.779403E+02 -0.335845E-08 0.100000E-04    0.697209E+00
  84    0.180154E-06    0.732696E+02 -0.245879E-08 0.100000E-04    0.464936E+00
  85    0.188562E-05    0.725138E+02 -0.260035E-07 0.100000E-04    0.886948E+00
  86    0.447509E-06    0.678953E+02 -0.659117E-08 0.100000E-04    0.828181E+00
  87    0.691887E-06    0.647205E+02 -0.106904E-07 0.100000E-04    0.770128E+00
  88   -0.104641E-05    0.613162E+02  0.170658E-07 0.100000E-04    0.951825E+00
  89   -0.188429E-05    0.598177E+02  0.315006E-07 0.100000E-04    0.946450E+00
  90    0.222086E-05    0.594075E+02 -0.373835E-07 0.100000E-04    0.975134E+00
  91   -0.251081E-05    0.581333E+02  0.431905E-07 0.100000E-04    0.914858E+00
  92   -0.347463E-05    0.558576E+02  0.622051E-07 0.100000E-04    0.946567E+00
  93    0.321995E-05    0.524381E+02 -0.614047E-07 0.100000E-04    0.981866E+00
  94    0.684748E-06    0.520020E+02 -0.131677E-07 0.100000E-04    0.815267E+00
  95    0.182564E-05    0.502849E+02 -0.363060E-07 0.100000E-04    0.883937E+00
  96    0.105168E-05    0.461267E+02 -0.227998E-07 0.100000E-04    0.915775E+00
  97   -0.271473E-05    0.433830E+02  0.625760E-07 0.100000E-04    0.878639E+00
  98    0.399174E-06    0.409247E+02 -0.975386E-08 0.100000E-04    0.613689E+00
  99   -0.164567E-05    0.378647E+02  0.434619E-07 0.100000E-04    0.795997E+00
 100   -0.141692E-05    0.361823E+02  0.391607E-07 0.100000E-04    0.886262E+00
 101    0.101980E-04    0.322404E+02 -0.316311E-06 0.100000E-04    0.937610E+00
 102   -0.434072E-07    0.289266E+02  0.150060E-08 0.109000E-04    0.187183E+00
 103   -0.242126E-05    0.284571E+02  0.850845E-07 0.100000E-04    0.960588E+00
 104   -0.129584E-05    0.263202E+02  0.492336E-07 0.100000E-04    0.615665E+00
 105   -0.587985E-05    0.233255E+02  0.252078E-06 0.100000E-04    0.926002E+00
 106   -0.479492E-05    0.213451E+02  0.224638E-06 0.100000E-04    0.964453E+00
 107    0.197445E-04    0.198468E+02 -0.994847E-06 0.100000E-04    0.918026E+00
 108   -0.221717E-04    0.164482E+02  0.134797E-05 0.100000E-04    0.928463E+00
 109   -0.508840E-05    0.139131E+02  0.365727E-06 0.100000E-04    0.957682E+00
 110    0.828721E-05    0.122449E+02 -0.676791E-06 0.100000E-04    0.844111E+00
 111    0.218435E-05    0.100853E+02 -0.216589E-06 0.100000E-04    0.775211E+00
 112   -0.299579E-01    0.917641E+01  0.100000E-04 0.100000E-04    0.544985E+00
 113    0.102773E+00    0.576024E+01 -0.206169E-04 0.206169E-04    0.138908E+00
 114    0.913884E+00    0.314661E+01  0.100000E-04 0.100000E-04    0.776217E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2061690702E-04    0.2693616170    

 Beginning of optimization cycle  681.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989472585
 potential> RMS force:                                               0.0861797030   |gradient|=.9201474322    
 Eigenvalues of the Hessian matrix:
   746.96355    673.95775    630.90789    600.55381    586.32850    578.90182 
   564.60649    487.42665    460.51119    459.73178    441.62215    429.47943 
   421.85771    407.82260    396.29421    387.36107    370.06519    360.58051 
   349.29101    335.34595    329.36912    321.81159    319.17587    309.30694 
   300.77376    290.60580    279.10521    272.77018    268.55670    264.97791 
   263.88070    253.17148    241.59772    240.80251    234.07085    227.54341 
   217.18843    214.90247    213.23918    207.71298    202.96790    195.37259 
   194.86907    191.39691    183.01438    174.41245    172.35507    168.23643 
   163.19763    156.85756    154.95012    152.24175    146.62102    143.31758 
   138.13182    135.87294    130.27253    128.85547    126.91354    123.99022 
   120.02512    118.17735    116.80586    110.38113    106.81430    104.47015 
   102.86108     99.50726     96.07537     94.08638     91.93821     91.24733 
    88.38080     85.63147     80.84094     80.55231     77.94007     73.26935 
    72.51324     67.89496     64.72005     61.31579     59.81742     59.40761 
    58.13330     55.85738     52.43803     52.00161     50.28543     46.12629 
    43.38354     40.92485     37.86466     36.18194     32.24006     28.92691 
    28.45720     26.32045     23.32539     21.34533     19.84669     16.44808 
    13.91318     12.24488     10.08521      9.17790      5.76040      3.14630 
overlap for current and previous eigenvector    109 is         0.9999999888
overlap for current and previous eigenvector    110 is        -0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999548
overlap for current and previous eigenvector    112 is        -0.9999999245
overlap for current and previous eigenvector    113 is         0.9999999401
overlap for current and previous eigenvector    114 is         0.9999999691
J1,K1,R1,R2,RAT=   7   7    0.4490597512E-02     1.995499471        0.9954994707    
FOB,PFOB,DIAG,PSTEP=   -0.1756781210E-06   -0.1764705833E-06     746.9635462        0.2362517697E-09
J1,K1,R1,R2,RAT=   8   8   -0.4037779524E-01     2.040381783        0.9596222048    
FOB,PFOB,DIAG,PSTEP=   -0.4085980425E-06   -0.3927400950E-06     673.9577505        0.5827358044E-09
J1,K1,R1,R2,RAT=   9   9   -0.4400825231E-01     2.043999223        0.9559917477    
FOB,PFOB,DIAG,PSTEP=   -0.7186620463E-06   -0.6883680354E-06     630.9078867        0.1091080263E-08
J1,K1,R1,R2,RAT=  10  10    -1.385061480         3.385068807        0.3850614800    
FOB,PFOB,DIAG,PSTEP=   -0.3859892859E-07   -0.1618365439E-07     600.5538073        0.2694778538E-10
J1,K1,R1,R2,RAT=  11  11     1.655586911        0.3444147602        0.6555852398    
FOB,PFOB,DIAG,PSTEP=    0.5544107533E-09   -0.8456726544E-09     586.3285012        0.1442317653E-11
J1,K1,R1,R2,RAT= 109 109   -0.3848356771E-01     2.038474970        0.9615164323    
FOB,PFOB,DIAG,PSTEP=   -0.5284223262E-05   -0.5088402537E-05     13.91318024        0.3657269094E-06
J1,K1,R1,R2,RAT= 110 110     2.152432583       -0.1524364618        0.8475635382    
FOB,PFOB,DIAG,PSTEP=   -0.9550489698E-05    0.8287213712E-05     12.24488203       -0.6767913129E-06
J1,K1,R1,R2,RAT= 111 111     2.291973675       -0.2919619472        0.7080380528    
FOB,PFOB,DIAG,PSTEP=   -0.2822096877E-05    0.2184352738E-05     10.08520707       -0.2165885058E-06
J1,K1,R1,R2,RAT= 112 112     652.3988046        0.4278091673        0.5721908327    
FOB,PFOB,DIAG,PSTEP=    0.2991863682E-01   -0.2995790074E-01     9.177904242        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8042143599         1731.550298        0.1957856401    
FOB,PFOB,DIAG,PSTEP=    0.1028686705        0.1027731606         5.760402613       -0.2061690702E-04
J1,K1,R1,R2,RAT= 114 114    0.1794128766        -58092.82781        0.8205871234    
FOB,PFOB,DIAG,PSTEP=    0.9138896035        0.9138839586         3.146298142        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001     -0.00000 
     0.00000     -0.00000     -0.00001     -0.00000      0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.02992      0.10287      0.91389 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3808107445
 Log product of positive Hessian eigenvalues =          519.0770905702
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1462981423
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=        0.0000000086
 Unscaled step for mode   57=       -0.0000000024
 Unscaled step for mode   58=       -0.0000000059
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=       -0.0000000065
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=       -0.0000000160
 Unscaled step for mode   64=       -0.0000000012
 Unscaled step for mode   65=        0.0000000101
 Unscaled step for mode   66=        0.0000000056
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000003
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=       -0.0000000094
 Unscaled step for mode   73=        0.0000000013
 Unscaled step for mode   74=        0.0000000005
 Unscaled step for mode   75=       -0.0000000014
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000166
 Unscaled step for mode   78=        0.0000000085
 Unscaled step for mode   79=       -0.0000000084
 Unscaled step for mode   80=        0.0000000066
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=        0.0000000151
 Unscaled step for mode   83=        0.0000000027
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=       -0.0000000288
 Unscaled step for mode   86=        0.0000000077
 Unscaled step for mode   87=       -0.0000000133
 Unscaled step for mode   88=        0.0000000163
 Unscaled step for mode   89=        0.0000000330
 Unscaled step for mode   90=       -0.0000000381
 Unscaled step for mode   91=        0.0000000461
 Unscaled step for mode   92=        0.0000000649
 Unscaled step for mode   93=        0.0000000621
 Unscaled step for mode   94=        0.0000000113
 Unscaled step for mode   95=       -0.0000000404
 Unscaled step for mode   96=        0.0000000243
 Unscaled step for mode   97=        0.0000000696
 Unscaled step for mode   98=       -0.0000000150
 Unscaled step for mode   99=       -0.0000000528
 Unscaled step for mode  100=       -0.0000000433
 Unscaled step for mode  101=       -0.0000003323
 Unscaled step for mode  102=        0.0000000061
 Unscaled step for mode  103=       -0.0000000880
 Unscaled step for mode  104=        0.0000000389
 Unscaled step for mode  105=        0.0000002680
 Unscaled step for mode  106=        0.0000002309
 Unscaled step for mode  107=       -0.0000010651
 Unscaled step for mode  108=        0.0000014300
 Unscaled step for mode  109=        0.0000003798
 Unscaled step for mode  110=        0.0000007800
 Unscaled step for mode  111=        0.0000002798
 Unscaled step for mode  112=       -0.0032598203
 Unscaled step for mode  113=       -0.0178522046
 Unscaled step for mode  114=        0.2693862871
 Largest modulus ratio of non-zero e/values=           237.4102874    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.776072E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.190435E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.672273E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.380447E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.775870E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.461069E-14    0.974322E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175678E-06    0.746964E+03  0.235190E-09 0.100000E-04    0.995499E+00
   8   -0.408598E-06    0.673958E+03  0.606267E-09 0.100000E-04    0.959622E+00
   9   -0.718662E-06    0.630908E+03  0.113909E-08 0.100000E-04    0.955992E+00
  10   -0.385989E-07    0.600554E+03  0.642722E-10 0.100000E-04    0.385061E+00
  11    0.554411E-09    0.586329E+03 -0.945563E-12 0.100000E-04    0.655585E+00
  12   -0.102986E-05    0.578902E+03  0.177900E-08 0.100000E-04    0.952320E+00
  13    0.466654E-07    0.564606E+03 -0.826512E-10 0.100000E-04    0.929543E+00
  14    0.430550E-06    0.487427E+03 -0.883313E-09 0.100000E-04    0.940124E+00
  15   -0.437394E-06    0.460511E+03  0.949801E-09 0.100000E-04    0.948887E+00
  16   -0.130346E-06    0.459732E+03  0.283527E-09 0.100000E-04    0.803902E+00
  17   -0.605368E-06    0.441622E+03  0.137078E-08 0.100000E-04    0.917508E+00
  18   -0.406313E-06    0.429479E+03  0.946058E-09 0.100000E-04    0.942868E+00
  19   -0.143895E-06    0.421858E+03  0.341099E-09 0.100000E-04    0.819545E+00
  20   -0.369064E-06    0.407823E+03  0.904962E-09 0.100000E-04    0.933595E+00
  21   -0.426750E-06    0.396294E+03  0.107685E-08 0.100000E-04    0.929192E+00
  22   -0.625792E-06    0.387361E+03  0.161553E-08 0.100000E-04    0.996401E+00
  23    0.803523E-06    0.370065E+03 -0.217130E-08 0.100000E-04    0.933102E+00
  24   -0.424401E-06    0.360581E+03  0.117699E-08 0.100000E-04    0.985153E+00
  25   -0.759023E-07    0.349291E+03  0.217304E-09 0.100000E-04    0.702308E+00
  26   -0.424752E-07    0.335346E+03  0.126661E-09 0.100000E-04    0.479712E+00
  27    0.374248E-06    0.329369E+03 -0.113626E-08 0.100000E-04    0.899879E+00
  28   -0.394621E-06    0.321812E+03  0.122625E-08 0.100000E-04    0.906456E+00
  29   -0.882547E-07    0.319176E+03  0.276508E-09 0.100000E-04    0.733524E+00
  30   -0.135978E-05    0.309307E+03  0.439623E-08 0.100000E-04    0.970359E+00
  31   -0.104724E-05    0.300774E+03  0.348182E-08 0.100000E-04    0.963870E+00
  32   -0.124155E-05    0.290606E+03  0.427230E-08 0.100000E-04    0.976383E+00
  33   -0.373981E-07    0.279105E+03  0.133993E-09 0.100000E-04    0.991914E+01
  34   -0.338280E-07    0.272770E+03  0.124016E-09 0.100000E-04    0.448476E+00
  35    0.100957E-05    0.268557E+03 -0.375925E-08 0.100000E-04    0.977535E+00
  36    0.122899E-05    0.264978E+03 -0.463808E-08 0.100000E-04    0.988839E+00
  37   -0.508734E-06    0.263881E+03  0.192789E-08 0.100000E-04    0.905332E+00
  38   -0.131907E-06    0.253171E+03  0.521018E-09 0.100000E-04    0.973098E+00
  39   -0.424039E-06    0.241598E+03  0.175515E-08 0.100000E-04    0.928759E+00
  40   -0.121601E-05    0.240803E+03  0.504981E-08 0.100000E-04    0.990724E+00
  41   -0.976324E-06    0.234071E+03  0.417106E-08 0.100000E-04    0.991594E+00
  42   -0.167846E-05    0.227543E+03  0.737644E-08 0.100000E-04    0.972996E+00
  43    0.587980E-08    0.217188E+03 -0.270723E-10 0.100000E-04    0.932751E+00
  44   -0.193248E-05    0.214902E+03  0.899236E-08 0.100000E-04    0.975308E+00
  45    0.709622E-06    0.213239E+03 -0.332782E-08 0.100000E-04    0.982985E+00
  46    0.106930E-05    0.207713E+03 -0.514798E-08 0.100000E-04    0.986829E+00
  47   -0.739753E-06    0.202968E+03  0.364468E-08 0.100000E-04    0.972056E+00
  48   -0.120898E-05    0.195373E+03  0.618809E-08 0.100000E-04    0.938195E+00
  49    0.969971E-06    0.194869E+03 -0.497755E-08 0.100000E-04    0.955202E+00
  50    0.123463E-05    0.191397E+03 -0.645061E-08 0.100000E-04    0.884003E+00
  51    0.221726E-06    0.183014E+03 -0.121152E-08 0.100000E-04    0.868036E+00
  52   -0.606525E-06    0.174412E+03  0.347753E-08 0.100000E-04    0.939274E+00
  53   -0.143110E-06    0.172355E+03  0.830321E-09 0.100000E-04    0.888554E+00
  54    0.212537E-06    0.168236E+03 -0.126332E-08 0.100000E-04    0.946596E+00
  55   -0.795460E-06    0.163198E+03  0.487422E-08 0.100000E-04    0.988127E+00
  56   -0.134939E-05    0.156858E+03  0.860262E-08 0.100000E-04    0.978511E+00
  57    0.364883E-06    0.154950E+03 -0.235484E-08 0.100000E-04    0.825669E+00
  58    0.902945E-06    0.152242E+03 -0.593099E-08 0.100000E-04    0.995252E+00
  59   -0.610070E-06    0.146621E+03  0.416086E-08 0.100000E-04    0.995958E+00
  60    0.195991E-06    0.143318E+03 -0.136753E-08 0.100000E-04    0.665539E+00
  61    0.904334E-06    0.138132E+03 -0.654689E-08 0.100000E-04    0.805532E+00
  62   -0.935123E-06    0.135873E+03  0.688234E-08 0.100000E-04    0.976890E+00
  63    0.209040E-05    0.130273E+03 -0.160463E-07 0.100000E-04    0.926651E+00
  64    0.155628E-06    0.128855E+03 -0.120777E-08 0.100000E-04    0.325640E+00
  65   -0.127675E-05    0.126914E+03  0.100600E-07 0.100000E-04    0.888996E+00
  66   -0.688825E-06    0.123990E+03  0.555548E-08 0.100000E-04    0.891656E+00
  67    0.184840E-05    0.120025E+03 -0.154001E-07 0.100000E-04    0.968374E+00
  68    0.445585E-06    0.118177E+03 -0.377048E-08 0.100000E-04    0.940061E+00
  69    0.394763E-07    0.116806E+03 -0.337965E-09 0.100000E-04    0.195357E+01
  70    0.131942E-05    0.110381E+03 -0.119533E-07 0.100000E-04    0.953206E+00
  71   -0.713516E-06    0.106814E+03  0.667996E-08 0.100000E-04    0.920622E+00
  72    0.983608E-06    0.104470E+03 -0.941520E-08 0.100000E-04    0.891673E+00
  73   -0.133686E-06    0.102861E+03  0.129967E-08 0.100000E-04    0.677870E+00
  74   -0.510405E-07    0.995073E+02  0.512932E-09 0.100000E-04    0.582904E+00
  75    0.131056E-06    0.960754E+02 -0.136409E-08 0.100000E-04    0.532009E+00
  76    0.155029E-06    0.940864E+02 -0.164773E-08 0.100000E-04    0.856969E+00
  77   -0.152228E-05    0.919382E+02  0.165576E-07 0.100000E-04    0.965228E+00
  78   -0.771681E-06    0.912473E+02  0.845703E-08 0.100000E-04    0.976501E+00
  79    0.742303E-06    0.883808E+02 -0.839892E-08 0.100000E-04    0.988314E+00
  80   -0.568514E-06    0.856315E+02  0.663908E-08 0.100000E-04    0.921240E+00
  81    0.126641E-05    0.808409E+02 -0.156654E-07 0.100000E-04    0.996976E+00
  82   -0.122003E-05    0.805523E+02  0.151458E-07 0.100000E-04    0.938771E+00
  83   -0.210698E-06    0.779401E+02  0.270333E-08 0.100000E-04    0.804931E+00
  84    0.350832E-06    0.732694E+02 -0.478826E-08 0.109000E-04    0.525978E-01
  85    0.208869E-05    0.725132E+02 -0.288042E-07 0.100000E-04    0.892304E+00
  86   -0.522409E-06    0.678950E+02  0.769437E-08 0.100000E-04    0.832629E+00
  87    0.857833E-06    0.647200E+02 -0.132545E-07 0.100000E-04    0.760153E+00
  88   -0.100002E-05    0.613158E+02  0.163094E-07 0.100000E-04    0.955669E+00
  89   -0.197328E-05    0.598174E+02  0.329884E-07 0.100000E-04    0.952774E+00
  90    0.226289E-05    0.594076E+02 -0.380910E-07 0.100000E-04    0.981073E+00
  91   -0.268266E-05    0.581333E+02  0.461467E-07 0.100000E-04    0.931555E+00
  92   -0.362575E-05    0.558574E+02  0.649108E-07 0.100000E-04    0.956508E+00
  93   -0.325749E-05    0.524380E+02  0.621208E-07 0.100000E-04    0.988340E+00
  94   -0.589493E-06    0.520016E+02  0.113360E-07 0.100000E-04    0.860890E+00
  95    0.203134E-05    0.502854E+02 -0.403962E-07 0.100000E-04    0.887328E+00
  96   -0.111885E-05    0.461263E+02  0.242562E-07 0.100000E-04    0.936134E+00
  97   -0.302024E-05    0.433835E+02  0.696171E-07 0.100000E-04    0.887466E+00
  98    0.615764E-06    0.409249E+02 -0.150462E-07 0.100000E-04    0.457406E+00
  99    0.199746E-05    0.378647E+02 -0.527527E-07 0.100000E-04    0.786233E+00
 100    0.156581E-05    0.361819E+02 -0.432761E-07 0.100000E-04    0.894920E+00
 101    0.107142E-04    0.322401E+02 -0.332324E-06 0.100000E-04    0.949385E+00
 102   -0.176470E-06    0.289269E+02  0.610054E-08 0.100000E-04    0.206542E+01
 103    0.250503E-05    0.284572E+02 -0.880279E-07 0.100000E-04    0.965405E+00
 104   -0.102275E-05    0.263205E+02  0.388577E-07 0.100000E-04    0.789242E+00
 105   -0.625108E-05    0.233254E+02  0.267995E-06 0.100000E-04    0.936865E+00
 106   -0.492870E-05    0.213453E+02  0.230903E-06 0.100000E-04    0.972101E+00
 107    0.211388E-04    0.198467E+02 -0.106510E-05 0.100000E-04    0.929384E+00
 108   -0.235208E-04    0.164481E+02  0.143000E-05 0.100000E-04    0.939151E+00
 109   -0.528422E-05    0.139132E+02  0.379800E-06 0.100000E-04    0.961516E+00
 110   -0.955049E-05    0.122449E+02  0.779958E-06 0.100000E-04    0.847564E+00
 111   -0.282210E-05    0.100852E+02  0.279825E-06 0.100000E-04    0.708038E+00
 112    0.299186E-01    0.917790E+01 -0.100000E-04 0.100000E-04    0.572191E+00
 113    0.102869E+00    0.576040E+01 -0.224724E-04 0.224724E-04    0.195786E+00
 114    0.913890E+00    0.314630E+01  0.100000E-04 0.100000E-04    0.820587E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2247242865E-04    0.2693862871    

 Beginning of optimization cycle  682.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989407285
 potential> RMS force:                                               0.0861809949   |gradient|=.9201612266    
 Eigenvalues of the Hessian matrix:
   746.96739    673.95626    630.91086    600.55160    586.32795    578.90192 
   564.60224    487.42618    460.50990    459.73124    441.62157    429.48084 
   421.85707    407.82094    396.29361    387.35965    370.06565    360.58070 
   349.29036    335.34664    329.37000    321.81128    319.17667    309.30578 
   300.77324    290.60587    279.10677    272.77067    268.55702    264.97824 
   263.88134    253.17093    241.59817    240.80284    234.07170    227.54380 
   217.18926    214.90260    213.23888    207.71349    202.96748    195.37178 
   194.86949    191.39737    183.01518    174.41323    172.35533    168.23673 
   163.19730    156.85734    154.95065    152.24156    146.62042    143.31715 
   138.13237    135.87294    130.27226    128.85568    126.91373    123.98905 
   120.02531    118.17747    116.80539    110.38138    106.81413    104.47035 
   102.86115     99.50718     96.07515     94.08612     91.93782     91.24755 
    88.38027     85.63178     80.84103     80.55301     77.93983     73.26911 
    72.51262     67.89461     64.71959     61.31536     59.81713     59.40768 
    58.13325     55.85712     52.43791     52.00121     50.28603     46.12584 
    43.38413     40.92496     37.86459     36.18151     32.23968     28.92725 
    28.45726     26.32076     23.32530     21.34556     19.84661     16.44797 
    13.91324     12.24490     10.08515      9.17947      5.76058      3.14597 
overlap for current and previous eigenvector    109 is         0.9999999875
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999476
overlap for current and previous eigenvector    112 is         0.9999999143
overlap for current and previous eigenvector    113 is         0.9999999328
overlap for current and previous eigenvector    114 is         0.9999999645
J1,K1,R1,R2,RAT=   7   7    0.3676942636E-01     1.963220271        0.9632202705    
FOB,PFOB,DIAG,PSTEP=   -0.1692185040E-06   -0.1756781210E-06     746.9673942        0.2351896848E-09
J1,K1,R1,R2,RAT=   8   8   -0.4240752279E-01     2.042411953        0.9575924772    
FOB,PFOB,DIAG,PSTEP=   -0.4259256349E-06   -0.4085980425E-06     673.9562578        0.6062665533E-09
J1,K1,R1,R2,RAT=   9   9   -0.4870845179E-01     2.048699039        0.9512915482    
FOB,PFOB,DIAG,PSTEP=   -0.7536671267E-06   -0.7186620463E-06     630.9108560        0.1139091873E-08
J1,K1,R1,R2,RAT=  10  10   -0.5777942818         2.577801630        0.4222057182    
FOB,PFOB,DIAG,PSTEP=   -0.6090108687E-07   -0.3859892859E-07     600.5516009        0.6427222360E-10
J1,K1,R1,R2,RAT=  11  11    -9.382580930         11.38258280         8.382580930    
FOB,PFOB,DIAG,PSTEP=    0.5756209640E-08    0.5544107533E-09     586.3279517       -0.9455633697E-12
J1,K1,R1,R2,RAT= 109 109   -0.1672463780E-01     2.016716148        0.9832753622    
FOB,PFOB,DIAG,PSTEP=   -0.5372600357E-05   -0.5284223262E-05     13.91323930        0.3797998136E-06
J1,K1,R1,R2,RAT= 110 110   -0.1455864064         2.145583125        0.8544135936    
FOB,PFOB,DIAG,PSTEP=   -0.1094091345E-04   -0.9550489698E-05     12.24490212        0.7799576734E-06
J1,K1,R1,R2,RAT= 111 111   -0.1128599963         2.112871842        0.8871400037    
FOB,PFOB,DIAG,PSTEP=   -0.3140596834E-05   -0.2822096877E-05     10.08514733        0.2798253777E-06
J1,K1,R1,R2,RAT= 112 112    0.3983266595         651.4611859        0.6016733405    
FOB,PFOB,DIAG,PSTEP=    0.2988207253E-01    0.2991863682E-01     9.179473873       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7757842829         1590.041945        0.2242157171    
FOB,PFOB,DIAG,PSTEP=    0.1029690991        0.1028686705         5.760583501       -0.2247242865E-04
J1,K1,R1,R2,RAT= 114 114    0.1200027185        -58099.12668        0.8799972815    
FOB,PFOB,DIAG,PSTEP=    0.9138933787        0.9138896035         3.145973247        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00001     -0.00000 
     0.00000     -0.00000     -0.00001     -0.00001      0.00002     -0.00003 
    -0.00001     -0.00001     -0.00000      0.02988      0.10297      0.91389 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3807907496
 Log product of positive Hessian eigenvalues =          519.0771579171
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1459732470
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000001
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000052
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000072
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=        0.0000000088
 Unscaled step for mode   57=       -0.0000000027
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000017
 Unscaled step for mode   61=       -0.0000000077
 Unscaled step for mode   62=        0.0000000072
 Unscaled step for mode   63=       -0.0000000174
 Unscaled step for mode   64=       -0.0000000021
 Unscaled step for mode   65=        0.0000000110
 Unscaled step for mode   66=        0.0000000061
 Unscaled step for mode   67=       -0.0000000160
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000006
 Unscaled step for mode   70=       -0.0000000126
 Unscaled step for mode   71=        0.0000000072
 Unscaled step for mode   72=       -0.0000000081
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=        0.0000000002
 Unscaled step for mode   75=       -0.0000000001
 Unscaled step for mode   76=       -0.0000000019
 Unscaled step for mode   77=        0.0000000160
 Unscaled step for mode   78=       -0.0000000088
 Unscaled step for mode   79=       -0.0000000088
 Unscaled step for mode   80=        0.0000000072
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000161
 Unscaled step for mode   83=        0.0000000019
 Unscaled step for mode   84=       -0.0000000074
 Unscaled step for mode   85=       -0.0000000315
 Unscaled step for mode   86=        0.0000000090
 Unscaled step for mode   87=       -0.0000000164
 Unscaled step for mode   88=        0.0000000155
 Unscaled step for mode   89=        0.0000000342
 Unscaled step for mode   90=       -0.0000000396
 Unscaled step for mode   91=        0.0000000510
 Unscaled step for mode   92=        0.0000000691
 Unscaled step for mode   93=        0.0000000641
 Unscaled step for mode   94=        0.0000000099
 Unscaled step for mode   95=       -0.0000000441
 Unscaled step for mode   96=        0.0000000271
 Unscaled step for mode   97=        0.0000000773
 Unscaled step for mode   98=       -0.0000000197
 Unscaled step for mode   99=       -0.0000000623
 Unscaled step for mode  100=       -0.0000000479
 Unscaled step for mode  101=       -0.0000003572
 Unscaled step for mode  102=        0.0000000164
 Unscaled step for mode  103=       -0.0000000903
 Unscaled step for mode  104=        0.0000000192
 Unscaled step for mode  105=        0.0000002903
 Unscaled step for mode  106=        0.0000002382
 Unscaled step for mode  107=       -0.0000011606
 Unscaled step for mode  108=        0.0000015408
 Unscaled step for mode  109=        0.0000003862
 Unscaled step for mode  110=        0.0000008935
 Unscaled step for mode  111=        0.0000003114
 Unscaled step for mode  112=       -0.0032552798
 Unscaled step for mode  113=       -0.0178690615
 Unscaled step for mode  114=        0.2694113048
 Largest modulus ratio of non-zero e/values=           237.4360287    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.105699E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.252234E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.711779E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.674807E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.822846E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.437517E-14    0.974322E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.169219E-06    0.746967E+03  0.226541E-09 0.100000E-04    0.963220E+00
   8   -0.425926E-06    0.673956E+03  0.631978E-09 0.100000E-04    0.957592E+00
   9   -0.753667E-06    0.630911E+03  0.119457E-08 0.100000E-04    0.951292E+00
  10   -0.609011E-07    0.600552E+03  0.101409E-09 0.100000E-04    0.422206E+00
  11    0.575621E-08    0.586328E+03 -0.981739E-11 0.100000E-04    0.838258E+01
  12   -0.107820E-05    0.578902E+03  0.186249E-08 0.100000E-04    0.953067E+00
  13    0.438410E-07    0.564602E+03 -0.776494E-10 0.100000E-04    0.939475E+00
  14    0.450022E-06    0.487426E+03 -0.923261E-09 0.100000E-04    0.954776E+00
  15   -0.463120E-06    0.460510E+03  0.100567E-08 0.100000E-04    0.941183E+00
  16   -0.155451E-06    0.459731E+03  0.338135E-09 0.100000E-04    0.807399E+00
  17   -0.655772E-06    0.441622E+03  0.148492E-08 0.100000E-04    0.916738E+00
  18   -0.432819E-06    0.429481E+03  0.100777E-08 0.100000E-04    0.934763E+00
  19   -0.112313E-06    0.421857E+03  0.266234E-09 0.100000E-04    0.780517E+00
  20   -0.393747E-06    0.407821E+03  0.965489E-09 0.100000E-04    0.933121E+00
  21   -0.457574E-06    0.396294E+03  0.115463E-08 0.100000E-04    0.927769E+00
  22   -0.633716E-06    0.387360E+03  0.163599E-08 0.100000E-04    0.987337E+00
  23    0.855309E-06    0.370066E+03 -0.231123E-08 0.100000E-04    0.935552E+00
  24   -0.432584E-06    0.360581E+03  0.119969E-08 0.100000E-04    0.980719E+00
  25   -0.459159E-07    0.349290E+03  0.131455E-09 0.100000E-04    0.604933E+00
  26    0.176361E-07    0.335347E+03 -0.525906E-10 0.100000E-04    0.415206E+00
  27    0.419271E-06    0.329370E+03 -0.127295E-08 0.100000E-04    0.879696E+00
  28   -0.440917E-06    0.321811E+03  0.137011E-08 0.100000E-04    0.882684E+00
  29   -0.174236E-06    0.319177E+03  0.545894E-09 0.109000E-04    0.257557E-01
  30   -0.143046E-05    0.309306E+03  0.462475E-08 0.100000E-04    0.948023E+00
  31   -0.109232E-05    0.300773E+03  0.363171E-08 0.100000E-04    0.956954E+00
  32   -0.128570E-05    0.290606E+03  0.442421E-08 0.100000E-04    0.964442E+00
  33   -0.872270E-07    0.279107E+03  0.312522E-09 0.100000E-04    0.332382E+00
  34    0.224934E-07    0.272771E+03 -0.824628E-10 0.100000E-04    0.664933E+00
  35    0.104612E-05    0.268557E+03 -0.389535E-08 0.100000E-04    0.963793E+00
  36    0.124374E-05    0.264978E+03 -0.469376E-08 0.100000E-04    0.987995E+00
  37   -0.555650E-06    0.263881E+03  0.210568E-08 0.100000E-04    0.907780E+00
  38   -0.128390E-06    0.253171E+03  0.507127E-09 0.100000E-04    0.973336E+00
  39   -0.382950E-06    0.241598E+03  0.158507E-08 0.100000E-04    0.903097E+00
  40   -0.122673E-05    0.240803E+03  0.509433E-08 0.100000E-04    0.991182E+00
  41   -0.958536E-06    0.234072E+03  0.409505E-08 0.100000E-04    0.981773E+00
  42   -0.175300E-05    0.227544E+03  0.770402E-08 0.100000E-04    0.955589E+00
  43    0.633165E-09    0.217189E+03 -0.291527E-11 0.109000E-04    0.107681E+00
  44   -0.198415E-05    0.214903E+03  0.923279E-08 0.100000E-04    0.973262E+00
  45    0.711042E-06    0.213239E+03 -0.333448E-08 0.100000E-04    0.997999E+00
  46    0.107231E-05    0.207713E+03 -0.516243E-08 0.100000E-04    0.997190E+00
  47   -0.754711E-06    0.202967E+03  0.371838E-08 0.100000E-04    0.979780E+00
  48   -0.131188E-05    0.195372E+03  0.671479E-08 0.100000E-04    0.914890E+00
  49    0.101100E-05    0.194869E+03 -0.518806E-08 0.100000E-04    0.957706E+00
  50    0.137674E-05    0.191397E+03 -0.719312E-08 0.100000E-04    0.884890E+00
  51    0.253887E-06    0.183015E+03 -0.138725E-08 0.100000E-04    0.854950E+00
  52   -0.657799E-06    0.174413E+03  0.377150E-08 0.100000E-04    0.915462E+00
  53   -0.123976E-06    0.172355E+03  0.719303E-09 0.100000E-04    0.866293E+00
  54    0.200338E-06    0.168237E+03 -0.119081E-08 0.100000E-04    0.942601E+00
  55   -0.799966E-06    0.163197E+03  0.490183E-08 0.100000E-04    0.994336E+00
  56   -0.138256E-05    0.156857E+03  0.881410E-08 0.100000E-04    0.975419E+00
  57    0.413759E-06    0.154951E+03 -0.267026E-08 0.100000E-04    0.866048E+00
  58    0.911686E-06    0.152242E+03 -0.598842E-08 0.100000E-04    0.990319E+00
  59   -0.614156E-06    0.146620E+03  0.418875E-08 0.100000E-04    0.993302E+00
  60    0.241762E-06    0.143317E+03 -0.168690E-08 0.100000E-04    0.766465E+00
  61    0.105862E-05    0.138132E+03 -0.766381E-08 0.100000E-04    0.829393E+00
  62   -0.973071E-06    0.135873E+03  0.716163E-08 0.100000E-04    0.959419E+00
  63    0.227270E-05    0.130272E+03 -0.174457E-07 0.100000E-04    0.912792E+00
  64    0.272927E-06    0.128856E+03 -0.211809E-08 0.100000E-04    0.246289E+00
  65   -0.140212E-05    0.126914E+03  0.110478E-07 0.100000E-04    0.901806E+00
  66   -0.756397E-06    0.123989E+03  0.610052E-08 0.100000E-04    0.901901E+00
  67    0.191970E-05    0.120025E+03 -0.159942E-07 0.100000E-04    0.961422E+00
  68    0.472862E-06    0.118177E+03 -0.400129E-08 0.100000E-04    0.938783E+00
  69    0.709652E-07    0.116805E+03 -0.607551E-09 0.100000E-04    0.202330E+00
  70    0.138560E-05    0.110381E+03 -0.125529E-07 0.100000E-04    0.949841E+00
  71   -0.773643E-06    0.106814E+03  0.724289E-08 0.100000E-04    0.915731E+00
  72    0.844782E-06    0.104470E+03 -0.808633E-08 0.100000E-04    0.858857E+00
  73   -0.169098E-06    0.102861E+03  0.164395E-08 0.100000E-04    0.735109E+00
  74   -0.205785E-07    0.995072E+02  0.206804E-09 0.100000E-04    0.403180E+00
  75    0.108158E-07    0.960751E+02 -0.112577E-09 0.109000E-04    0.825263E-01
  76    0.176152E-06    0.940861E+02 -0.187224E-08 0.100000E-04    0.863748E+00
  77   -0.147142E-05    0.919378E+02  0.160045E-07 0.100000E-04    0.966587E+00
  78    0.804174E-06    0.912476E+02 -0.881310E-08 0.100000E-04    0.957894E+00
  79    0.774137E-06    0.883803E+02 -0.875917E-08 0.100000E-04    0.957114E+00
  80   -0.615089E-06    0.856318E+02  0.718296E-08 0.100000E-04    0.918075E+00
  81    0.128463E-05    0.808410E+02 -0.158908E-07 0.100000E-04    0.985609E+00
  82   -0.129627E-05    0.805530E+02  0.160922E-07 0.100000E-04    0.937508E+00
  83   -0.150715E-06    0.779398E+02  0.193373E-08 0.100000E-04    0.715313E+00
  84    0.539008E-06    0.732691E+02 -0.735656E-08 0.100000E-04    0.463629E+00
  85    0.228470E-05    0.725126E+02 -0.315076E-07 0.100000E-04    0.906157E+00
  86   -0.609867E-06    0.678946E+02  0.898256E-08 0.100000E-04    0.832585E+00
  87    0.105977E-05    0.647196E+02 -0.163748E-07 0.100000E-04    0.764592E+00
  88   -0.950940E-06    0.613154E+02  0.155090E-07 0.100000E-04    0.950920E+00
  89   -0.204561E-05    0.598171E+02  0.341978E-07 0.100000E-04    0.963344E+00
  90    0.235212E-05    0.594077E+02 -0.395929E-07 0.100000E-04    0.960568E+00
  91   -0.296459E-05    0.581332E+02  0.509964E-07 0.100000E-04    0.894908E+00
  92   -0.386111E-05    0.558571E+02  0.691247E-07 0.100000E-04    0.935085E+00
  93   -0.336104E-05    0.524379E+02  0.640956E-07 0.100000E-04    0.968214E+00
  94   -0.517277E-06    0.520012E+02  0.994741E-08 0.100000E-04    0.877495E+00
  95    0.221634E-05    0.502860E+02 -0.440746E-07 0.100000E-04    0.908930E+00
  96   -0.125182E-05    0.461258E+02  0.271392E-07 0.100000E-04    0.881153E+00
  97   -0.335549E-05    0.433841E+02  0.773437E-07 0.100000E-04    0.889000E+00
  98    0.805587E-06    0.409250E+02 -0.196845E-07 0.100000E-04    0.691730E+00
  99    0.235749E-05    0.378646E+02 -0.622611E-07 0.100000E-04    0.819758E+00
 100    0.173293E-05    0.361815E+02 -0.478953E-07 0.100000E-04    0.893273E+00
 101    0.115145E-04    0.322397E+02 -0.357154E-06 0.100000E-04    0.925297E+00
 102   -0.473321E-06    0.289272E+02  0.163624E-07 0.100000E-04    0.682141E+00
 103    0.257021E-05    0.284573E+02 -0.903184E-07 0.100000E-04    0.973977E+00
 104   -0.504468E-06    0.263208E+02  0.191662E-07 0.100000E-04    0.493228E+00
 105   -0.677030E-05    0.233253E+02  0.290256E-06 0.100000E-04    0.916938E+00
 106   -0.508345E-05    0.213456E+02  0.238150E-06 0.100000E-04    0.968602E+00
 107    0.230335E-04    0.198466E+02 -0.116058E-05 0.100000E-04    0.910367E+00
 108   -0.253428E-04    0.164480E+02  0.154079E-05 0.100000E-04    0.922536E+00
 109   -0.537260E-05    0.139132E+02  0.386150E-06 0.100000E-04    0.983275E+00
 110   -0.109409E-04    0.122449E+02  0.893508E-06 0.100000E-04    0.854414E+00
 111   -0.314060E-05    0.100851E+02  0.311408E-06 0.100000E-04    0.887140E+00
 112    0.298821E-01    0.917947E+01 -0.100000E-04 0.100000E-04    0.601673E+00
 113    0.102969E+00    0.576058E+01 -0.202454E-04 0.202454E-04    0.224216E+00
 114    0.913893E+00    0.314597E+01  0.100000E-04 0.100000E-04    0.879997E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2024543122E-04    0.2694113048    

 Beginning of optimization cycle  683.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989339713
 potential> RMS force:                                               0.0861824199   |gradient|=.9201764415    
 Eigenvalues of the Hessian matrix:
   746.97113    673.95500    630.91371    600.54937    586.32748    578.90202 
   564.59828    487.42583    460.50866    459.73071    441.62104    429.48208 
   421.85645    407.81937    396.29307    387.35827    370.06610    360.58086 
   349.28965    335.34728    329.37083    321.81104    319.17731    309.30465 
   300.77266    290.60593    279.10820    272.77112    268.55727    264.97855 
   263.88186    253.17035    241.59851    240.80316    234.07244    227.54410 
   217.18999    214.90273    213.23860    207.71397    202.96708    195.37099 
   194.86984    191.39781    183.01590    174.41394    172.35557    168.23701 
   163.19699    156.85712    154.95116    152.24139    146.61986    143.31676 
   138.13287    135.87293    130.27203    128.85588    126.91393    123.98795 
   120.02549    118.17760    116.80498    110.38162    106.81399    104.47056 
   102.86123     99.50712     96.07495     94.08590     91.93742     91.24776 
    88.37977     85.63207     80.84112     80.55366     77.93961     73.26891 
    72.51207     67.89431     64.71916     61.31494     59.81685     59.40777 
    58.13322     55.85690     52.43781     52.00085     50.28661     46.12544 
    43.38468     40.92507     37.86455     36.18119     32.23932     28.92758 
    28.45732     26.32105     23.32519     21.34581     19.84651     16.44788 
    13.91330     12.24492     10.08508      9.18094      5.76074      3.14566 
overlap for current and previous eigenvector    109 is         0.9999999892
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999559
overlap for current and previous eigenvector    112 is         0.9999999266
overlap for current and previous eigenvector    113 is         0.9999999408
overlap for current and previous eigenvector    114 is         0.9999999691
J1,K1,R1,R2,RAT=   7   7   -0.1117756200E-01     2.011167552        0.9888224380    
FOB,PFOB,DIAG,PSTEP=   -0.1711099638E-06   -0.1692185040E-06     746.9711328        0.2265406835E-09
J1,K1,R1,R2,RAT=   8   8    0.4841024730E-01     1.951593482        0.9515897527    
FOB,PFOB,DIAG,PSTEP=   -0.4053065080E-06   -0.4259256349E-06     673.9550010        0.6319781588E-09
J1,K1,R1,R2,RAT=   9   9    0.5374911044E-01     1.946241847        0.9462418466    
FOB,PFOB,DIAG,PSTEP=   -0.7131580059E-06   -0.7536671267E-06     630.9137087        0.1194569914E-08
J1,K1,R1,R2,RAT=  10  10    0.4659182225         1.534089210        0.5340817775    
FOB,PFOB,DIAG,PSTEP=   -0.3252626618E-07   -0.6090108687E-07     600.5493691        0.1014085830E-09
J1,K1,R1,R2,RAT=  11  11    0.5402126278         1.459788986        0.4597873722    
FOB,PFOB,DIAG,PSTEP=    0.2646635014E-08    0.5756209640E-08     586.3274785       -0.9817389097E-11
J1,K1,R1,R2,RAT= 109 109    0.4852273679E-01     1.951468904        0.9514689035    
FOB,PFOB,DIAG,PSTEP=   -0.5111905995E-05   -0.5372600357E-05     13.91329746        0.3861502157E-06
J1,K1,R1,R2,RAT= 110 110    0.1496992015         1.850297323        0.8502973232    
FOB,PFOB,DIAG,PSTEP=   -0.9303064600E-05   -0.1094091345E-04     12.24492340        0.8935076284E-06
J1,K1,R1,R2,RAT= 111 111    0.2259271493         1.774085251        0.7740728507    
FOB,PFOB,DIAG,PSTEP=   -0.2431055144E-05   -0.3140596834E-05     10.08508480        0.3114081262E-06
J1,K1,R1,R2,RAT= 112 112    0.4345799170         650.5239754        0.5654200830    
FOB,PFOB,DIAG,PSTEP=    0.2984217399E-01    0.2988207253E-01     9.180944712       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8383794752         1766.597173        0.1616205248    
FOB,PFOB,DIAG,PSTEP=    0.1030668782        0.1029690991         5.760742984       -0.2024543122E-04
J1,K1,R1,R2,RAT= 114 114    0.1780567860        -58105.19066        0.8219432140    
FOB,PFOB,DIAG,PSTEP=    0.9138989798        0.9138933787         3.145661064        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.02984      0.10307      0.91390 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3807689954
 Log product of positive Hessian eigenvalues =          519.0772199286
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1456610637
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000050
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=       -0.0000000022
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=        0.0000000063
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=        0.0000000160
 Unscaled step for mode   64=       -0.0000000012
 Unscaled step for mode   65=        0.0000000098
 Unscaled step for mode   66=       -0.0000000054
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000118
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=       -0.0000000095
 Unscaled step for mode   73=        0.0000000012
 Unscaled step for mode   74=        0.0000000007
 Unscaled step for mode   75=       -0.0000000016
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000168
 Unscaled step for mode   78=       -0.0000000085
 Unscaled step for mode   79=       -0.0000000086
 Unscaled step for mode   80=        0.0000000066
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000150
 Unscaled step for mode   83=        0.0000000027
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000279
 Unscaled step for mode   86=        0.0000000075
 Unscaled step for mode   87=       -0.0000000131
 Unscaled step for mode   88=        0.0000000164
 Unscaled step for mode   89=        0.0000000323
 Unscaled step for mode   90=       -0.0000000385
 Unscaled step for mode   91=        0.0000000469
 Unscaled step for mode   92=        0.0000000655
 Unscaled step for mode   93=        0.0000000630
 Unscaled step for mode   94=        0.0000000122
 Unscaled step for mode   95=       -0.0000000390
 Unscaled step for mode   96=        0.0000000252
 Unscaled step for mode   97=       -0.0000000680
 Unscaled step for mode   98=       -0.0000000129
 Unscaled step for mode   99=       -0.0000000505
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=        0.0000003358
 Unscaled step for mode  102=       -0.0000000064
 Unscaled step for mode  103=       -0.0000000866
 Unscaled step for mode  104=       -0.0000000326
 Unscaled step for mode  105=       -0.0000002696
 Unscaled step for mode  106=       -0.0000002292
 Unscaled step for mode  107=        0.0000010697
 Unscaled step for mode  108=        0.0000014333
 Unscaled step for mode  109=        0.0000003674
 Unscaled step for mode  110=        0.0000007597
 Unscaled step for mode  111=        0.0000002411
 Unscaled step for mode  112=       -0.0032504126
 Unscaled step for mode  113=       -0.0178855242
 Unscaled step for mode  114=        0.2694358505
 Largest modulus ratio of non-zero e/values=           237.4607810    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.905851E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.197851E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.352932E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.367409E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.943690E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.388785E-14    0.974322E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171110E-06    0.746971E+03  0.229072E-09 0.100000E-04    0.988822E+00
   8   -0.405307E-06    0.673955E+03  0.601385E-09 0.100000E-04    0.951590E+00
   9   -0.713158E-06    0.630914E+03  0.113036E-08 0.100000E-04    0.946242E+00
  10   -0.325263E-07    0.600549E+03  0.541609E-10 0.100000E-04    0.534082E+00
  11    0.264664E-08    0.586327E+03 -0.451392E-11 0.100000E-04    0.459787E+00
  12   -0.101721E-05    0.578902E+03  0.175714E-08 0.100000E-04    0.943438E+00
  13    0.480282E-07    0.564598E+03 -0.850662E-10 0.100000E-04    0.904490E+00
  14    0.419592E-06    0.487426E+03 -0.860831E-09 0.100000E-04    0.932381E+00
  15   -0.434939E-06    0.460509E+03  0.944476E-09 0.100000E-04    0.939150E+00
  16   -0.127602E-06    0.459731E+03  0.277557E-09 0.100000E-04    0.820848E+00
  17   -0.596240E-06    0.441621E+03  0.135012E-08 0.100000E-04    0.909218E+00
  18   -0.402724E-06    0.429482E+03  0.937696E-09 0.100000E-04    0.930461E+00
  19   -0.152166E-06    0.421856E+03  0.360707E-09 0.100000E-04    0.645154E+00
  20   -0.363468E-06    0.407819E+03  0.891248E-09 0.100000E-04    0.923101E+00
  21   -0.420416E-06    0.396293E+03  0.106087E-08 0.100000E-04    0.918794E+00
  22   -0.628807E-06    0.387358E+03  0.162332E-08 0.100000E-04    0.992253E+00
  23    0.789544E-06    0.370066E+03 -0.213352E-08 0.100000E-04    0.923108E+00
  24   -0.422985E-06    0.360581E+03  0.117307E-08 0.100000E-04    0.977810E+00
  25   -0.867563E-07    0.349290E+03  0.248379E-09 0.109000E-04    0.110538E+00
  26   -0.406166E-07    0.335347E+03  0.121118E-09 0.100000E-04    0.303038E+00
  27    0.374639E-06    0.329371E+03 -0.113744E-08 0.100000E-04    0.893543E+00
  28   -0.395810E-06    0.321811E+03  0.122995E-08 0.100000E-04    0.897698E+00
  29   -0.996067E-07    0.319177E+03  0.312073E-09 0.100000E-04    0.571672E+00
  30   -0.137710E-05    0.309305E+03  0.445224E-08 0.100000E-04    0.962696E+00
  31   -0.104459E-05    0.300773E+03  0.347304E-08 0.100000E-04    0.956307E+00
  32   -0.124651E-05    0.290606E+03  0.428934E-08 0.100000E-04    0.969516E+00
  33   -0.354338E-07    0.279108E+03  0.126954E-09 0.100000E-04    0.406218E+00
  34   -0.312487E-07    0.272771E+03  0.114560E-09 0.100000E-04    0.610765E+00
  35    0.101402E-05    0.268557E+03 -0.377581E-08 0.100000E-04    0.969309E+00
  36    0.122559E-05    0.264979E+03 -0.462523E-08 0.100000E-04    0.985398E+00
  37   -0.499349E-06    0.263882E+03  0.189232E-08 0.100000E-04    0.898672E+00
  38   -0.131987E-06    0.253170E+03  0.521336E-09 0.100000E-04    0.971983E+00
  39   -0.426689E-06    0.241599E+03  0.176611E-08 0.100000E-04    0.885783E+00
  40   -0.121053E-05    0.240803E+03  0.502707E-08 0.100000E-04    0.986797E+00
  41   -0.968487E-06    0.234072E+03  0.413755E-08 0.100000E-04    0.989618E+00
  42   -0.169112E-05    0.227544E+03  0.743205E-08 0.100000E-04    0.964697E+00
  43    0.333865E-08    0.217190E+03 -0.153720E-10 0.100000E-04    0.327294E+01
  44   -0.192133E-05    0.214903E+03  0.894049E-08 0.100000E-04    0.968340E+00
  45    0.723526E-06    0.213239E+03 -0.339304E-08 0.100000E-04    0.982442E+00
  46    0.105511E-05    0.207714E+03 -0.507964E-08 0.100000E-04    0.983961E+00
  47   -0.729222E-06    0.202967E+03  0.359281E-08 0.100000E-04    0.966228E+00
  48   -0.121671E-05    0.195371E+03  0.622770E-08 0.100000E-04    0.927457E+00
  49    0.958915E-06    0.194870E+03 -0.492080E-08 0.100000E-04    0.948483E+00
  50    0.121021E-05    0.191398E+03 -0.632303E-08 0.100000E-04    0.879037E+00
  51    0.220239E-06    0.183016E+03 -0.120339E-08 0.100000E-04    0.867460E+00
  52   -0.610770E-06    0.174414E+03  0.350184E-08 0.100000E-04    0.928497E+00
  53    0.148634E-06    0.172356E+03 -0.862367E-09 0.100000E-04    0.801106E+00
  54   -0.216304E-06    0.168237E+03  0.128571E-08 0.100000E-04    0.920306E+00
  55   -0.809383E-06    0.163197E+03  0.495955E-08 0.100000E-04    0.988228E+00
  56    0.134282E-05    0.156857E+03 -0.856081E-08 0.100000E-04    0.971262E+00
  57    0.344014E-06    0.154951E+03 -0.222014E-08 0.100000E-04    0.831429E+00
  58    0.916351E-06    0.152241E+03 -0.601907E-08 0.100000E-04    0.994882E+00
  59   -0.614562E-06    0.146620E+03  0.419154E-08 0.100000E-04    0.999338E+00
  60    0.177609E-06    0.143317E+03 -0.123928E-08 0.100000E-04    0.734643E+00
  61   -0.869776E-06    0.138133E+03  0.629666E-08 0.100000E-04    0.821606E+00
  62    0.940371E-06    0.135873E+03 -0.692096E-08 0.100000E-04    0.966395E+00
  63   -0.208689E-05    0.130272E+03  0.160195E-07 0.100000E-04    0.918244E+00
  64    0.157829E-06    0.128856E+03 -0.122485E-08 0.100000E-04    0.578280E+00
  65   -0.123769E-05    0.126914E+03  0.975221E-08 0.100000E-04    0.882727E+00
  66    0.672589E-06    0.123988E+03 -0.542463E-08 0.100000E-04    0.889199E+00
  67    0.184416E-05    0.120025E+03 -0.153647E-07 0.100000E-04    0.960645E+00
  68    0.440683E-06    0.118178E+03 -0.372899E-08 0.100000E-04    0.931946E+00
  69    0.980367E-08    0.116805E+03 -0.839319E-10 0.109000E-04    0.138145E+00
  70    0.130776E-05    0.110382E+03 -0.118476E-07 0.100000E-04    0.943817E+00
  71   -0.705408E-06    0.106814E+03  0.660408E-08 0.100000E-04    0.911801E+00
  72    0.996170E-06    0.104471E+03 -0.953541E-08 0.100000E-04    0.820797E+00
  73   -0.126423E-06    0.102861E+03  0.122907E-08 0.100000E-04    0.747632E+00
  74   -0.671598E-07    0.995071E+02  0.674924E-09 0.100000E-04    0.126359E+01
  75    0.158228E-06    0.960750E+02 -0.164692E-08 0.100000E-04    0.126293E+02
  76    0.150158E-06    0.940859E+02 -0.159596E-08 0.100000E-04    0.852432E+00
  77   -0.154386E-05    0.919374E+02  0.167925E-07 0.100000E-04    0.950769E+00
  78    0.776164E-06    0.912478E+02 -0.850612E-08 0.100000E-04    0.965165E+00
  79    0.760232E-06    0.883798E+02 -0.860188E-08 0.100000E-04    0.982037E+00
  80   -0.562931E-06    0.856321E+02  0.657384E-08 0.100000E-04    0.915196E+00
  81    0.127745E-05    0.808411E+02 -0.158020E-07 0.100000E-04    0.994405E+00
  82   -0.120565E-05    0.805537E+02  0.149670E-07 0.100000E-04    0.930070E+00
  83   -0.213864E-06    0.779396E+02  0.274397E-08 0.100000E-04    0.581001E+00
  84    0.317505E-06    0.732689E+02 -0.433343E-08 0.100000E-04    0.589054E+00
  85    0.202573E-05    0.725121E+02 -0.279364E-07 0.100000E-04    0.886651E+00
  86   -0.508782E-06    0.678943E+02  0.749374E-08 0.100000E-04    0.834250E+00
  87    0.846911E-06    0.647192E+02 -0.130859E-07 0.100000E-04    0.799144E+00
  88   -0.100501E-05    0.613149E+02  0.163909E-07 0.100000E-04    0.943145E+00
  89   -0.192964E-05    0.598168E+02  0.322592E-07 0.100000E-04    0.943309E+00
  90    0.228914E-05    0.594078E+02 -0.385327E-07 0.100000E-04    0.973221E+00
  91   -0.272834E-05    0.581332E+02  0.469326E-07 0.100000E-04    0.920310E+00
  92   -0.365867E-05    0.558569E+02  0.655008E-07 0.100000E-04    0.947569E+00
  93   -0.330407E-05    0.524378E+02  0.630092E-07 0.100000E-04    0.983049E+00
  94   -0.632308E-06    0.520008E+02  0.121596E-07 0.100000E-04    0.777622E+00
  95    0.195984E-05    0.502866E+02 -0.389733E-07 0.100000E-04    0.884246E+00
  96   -0.116131E-05    0.461254E+02  0.251772E-07 0.100000E-04    0.927701E+00
  97    0.295189E-05    0.433847E+02 -0.680398E-07 0.100000E-04    0.879695E+00
  98    0.528227E-06    0.409251E+02 -0.129072E-07 0.100000E-04    0.655701E+00
  99    0.191311E-05    0.378646E+02 -0.505252E-07 0.100000E-04    0.811504E+00
 100    0.154016E-05    0.361812E+02 -0.425679E-07 0.100000E-04    0.888760E+00
 101   -0.108248E-04    0.322393E+02  0.335765E-06 0.100000E-04    0.940101E+00
 102    0.186497E-06    0.289276E+02 -0.644703E-08 0.100000E-04    0.394003E+00
 103    0.246487E-05    0.284573E+02 -0.866165E-07 0.100000E-04    0.959011E+00
 104    0.858001E-06    0.263210E+02 -0.325975E-07 0.100000E-04    0.299204E+00
 105    0.628741E-05    0.233252E+02 -0.269555E-06 0.100000E-04    0.928675E+00
 106    0.489193E-05    0.213458E+02 -0.229175E-06 0.100000E-04    0.962301E+00
 107   -0.212299E-04    0.198465E+02  0.106970E-05 0.100000E-04    0.921696E+00
 108   -0.235755E-04    0.164479E+02  0.143334E-05 0.100000E-04    0.930261E+00
 109   -0.511191E-05    0.139133E+02  0.367412E-06 0.100000E-04    0.951469E+00
 110   -0.930306E-05    0.122449E+02  0.759749E-06 0.100000E-04    0.850297E+00
 111   -0.243106E-05    0.100851E+02  0.241055E-06 0.100000E-04    0.774073E+00
 112    0.298422E-01    0.918094E+01 -0.100000E-04 0.100000E-04    0.565420E+00
 113    0.103067E+00    0.576074E+01 -0.220675E-04 0.220675E-04    0.161621E+00
 114    0.913899E+00    0.314566E+01  0.100000E-04 0.100000E-04    0.821943E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2206752003E-04    0.2694358505    

 Beginning of optimization cycle  684.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989274032
 potential> RMS force:                                               0.0861837337   |gradient|=.9201904686    
 Eigenvalues of the Hessian matrix:
   746.97495    673.95354    630.91665    600.54717    586.32694    578.90211 
   564.59408    487.42538    460.50737    459.73018    441.62047    429.48346 
   421.85581    407.81772    396.29248    387.35685    370.06655    360.58104 
   349.28899    335.34795    329.37170    321.81074    319.17808    309.30349 
   300.77214    290.60601    279.10975    272.77160    268.55758    264.97887 
   263.88248    253.16979    241.59894    240.80348    234.07327    227.54447 
   217.19080    214.90286    213.23831    207.71448    202.96667    195.37019 
   194.87024    191.39827    183.01668    174.41471    172.35582    168.23730 
   163.19666    156.85691    154.95169    152.24120    146.61927    143.31633 
   138.13340    135.87293    130.27176    128.85609    126.91412    123.98679 
   120.02568    118.17771    116.80453    110.38187    106.81383    104.47077 
   102.86130     99.50704     96.07473     94.08565     91.93703     91.24798 
    88.37925     85.63238     80.84121     80.55435     77.93937     73.26867 
    72.51146     67.89397     64.71871     61.31452     59.81656     59.40784 
    58.13317     55.85664     52.43770     52.00045     50.28720     46.12500 
    43.38526     40.92518     37.86449     36.18078     32.23894     28.92792 
    28.45738     26.32135     23.32510     21.34604     19.84643     16.44777 
    13.91336     12.24495     10.08503      9.18250      5.76092      3.14534 
overlap for current and previous eigenvector    109 is         0.9999999878
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999484
overlap for current and previous eigenvector    112 is         0.9999999160
overlap for current and previous eigenvector    113 is         0.9999999346
overlap for current and previous eigenvector    114 is         0.9999999655
J1,K1,R1,R2,RAT=   7   7    0.5189910124E-02     1.994799866        0.9947998657    
FOB,PFOB,DIAG,PSTEP=   -0.1702219139E-06   -0.1711099638E-06     746.9749514        0.2290717222E-09
J1,K1,R1,R2,RAT=   8   8   -0.4155710599E-01     2.041561454        0.9584428940    
FOB,PFOB,DIAG,PSTEP=   -0.4221498369E-06   -0.4053065080E-06     673.9535358        0.6013851183E-09
J1,K1,R1,R2,RAT=   9   9   -0.4532665769E-01     2.045317343        0.9546733423    
FOB,PFOB,DIAG,PSTEP=   -0.7454832253E-06   -0.7131580059E-06     630.9166471        0.1130357442E-08
J1,K1,R1,R2,RAT=  10  10   -0.7382792733         2.738286613        0.2617207267    
FOB,PFOB,DIAG,PSTEP=   -0.5653964620E-07   -0.3252626618E-07     600.5471651        0.5416085313E-10
J1,K1,R1,R2,RAT=  11  11   -0.5751739155         2.575175748        0.4248260845    
FOB,PFOB,DIAG,PSTEP=    0.4168909044E-08    0.2646635014E-08     586.3269414       -0.4513919459E-11
J1,K1,R1,R2,RAT= 109 109   -0.4003887938E-01     2.040030338        0.9599611206    
FOB,PFOB,DIAG,PSTEP=   -0.5316581856E-05   -0.5111905995E-05     13.91335688        0.3674115364E-06
J1,K1,R1,R2,RAT= 110 110   -0.1453424978         2.145338936        0.8546575022    
FOB,PFOB,DIAG,PSTEP=   -0.1065519765E-04   -0.9303064600E-05     12.24494521        0.7597486973E-06
J1,K1,R1,R2,RAT= 111 111   -0.2804978178         2.280509517        0.7195021822    
FOB,PFOB,DIAG,PSTEP=   -0.3112956818E-05   -0.2431055144E-05     10.08502581        0.2410545068E-06
J1,K1,R1,R2,RAT= 112 112    0.4055561319         649.5739996        0.5944438681    
FOB,PFOB,DIAG,PSTEP=    0.2980493381E-01    0.2984217399E-01     9.182496195       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7837023416         1622.234685        0.2162976584    
FOB,PFOB,DIAG,PSTEP=    0.1031665097        0.1030668782         5.760918934       -0.2206752003E-04
J1,K1,R1,R2,RAT= 114 114    0.1302611505        -58111.47201        0.8697388495    
FOB,PFOB,DIAG,PSTEP=    0.9139030769        0.9138989798         3.145337734        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00001     -0.00002     -0.00003 
    -0.00001     -0.00001     -0.00000      0.02980      0.10317      0.91390 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3807487386
 Log product of positive Hessian eigenvalues =          519.0772863513
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1453377338
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=       -0.0000000026
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000016
 Unscaled step for mode   61=        0.0000000074
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=        0.0000000172
 Unscaled step for mode   64=       -0.0000000020
 Unscaled step for mode   65=        0.0000000108
 Unscaled step for mode   66=       -0.0000000060
 Unscaled step for mode   67=       -0.0000000159
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=        0.0000000071
 Unscaled step for mode   72=       -0.0000000083
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=        0.0000000003
 Unscaled step for mode   75=       -0.0000000004
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=       -0.0000000162
 Unscaled step for mode   78=       -0.0000000087
 Unscaled step for mode   79=       -0.0000000087
 Unscaled step for mode   80=        0.0000000071
 Unscaled step for mode   81=       -0.0000000159
 Unscaled step for mode   82=        0.0000000159
 Unscaled step for mode   83=        0.0000000020
 Unscaled step for mode   84=       -0.0000000068
 Unscaled step for mode   85=       -0.0000000309
 Unscaled step for mode   86=        0.0000000087
 Unscaled step for mode   87=       -0.0000000159
 Unscaled step for mode   88=        0.0000000156
 Unscaled step for mode   89=        0.0000000338
 Unscaled step for mode   90=       -0.0000000393
 Unscaled step for mode   91=        0.0000000501
 Unscaled step for mode   92=        0.0000000684
 Unscaled step for mode   93=        0.0000000638
 Unscaled step for mode   94=        0.0000000102
 Unscaled step for mode   95=       -0.0000000433
 Unscaled step for mode   96=        0.0000000268
 Unscaled step for mode   97=       -0.0000000756
 Unscaled step for mode   98=       -0.0000000185
 Unscaled step for mode   99=       -0.0000000605
 Unscaled step for mode  100=       -0.0000000470
 Unscaled step for mode  101=        0.0000003531
 Unscaled step for mode  102=       -0.0000000147
 Unscaled step for mode  103=       -0.0000000897
 Unscaled step for mode  104=       -0.0000000212
 Unscaled step for mode  105=       -0.0000002868
 Unscaled step for mode  106=       -0.0000002358
 Unscaled step for mode  107=        0.0000011457
 Unscaled step for mode  108=        0.0000015218
 Unscaled step for mode  109=        0.0000003821
 Unscaled step for mode  110=        0.0000008702
 Unscaled step for mode  111=        0.0000003087
 Unscaled step for mode  112=       -0.0032458080
 Unscaled step for mode  113=       -0.0179022560
 Unscaled step for mode  114=        0.2694608424
 Largest modulus ratio of non-zero e/values=           237.4864052    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.604443E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.177928E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.134278E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.253910E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.140060E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.382579E-14    0.974322E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170222E-06    0.746975E+03  0.227882E-09 0.100000E-04    0.994800E+00
   8   -0.422150E-06    0.673954E+03  0.626378E-09 0.100000E-04    0.958443E+00
   9   -0.745483E-06    0.630917E+03  0.118159E-08 0.100000E-04    0.954673E+00
  10   -0.565396E-07    0.600547E+03  0.941469E-10 0.100000E-04    0.261721E+00
  11    0.416891E-08    0.586327E+03 -0.711021E-11 0.100000E-04    0.424826E+00
  12   -0.106717E-05    0.578902E+03  0.184344E-08 0.100000E-04    0.950890E+00
  13    0.441916E-07    0.564594E+03 -0.782715E-10 0.100000E-04    0.920117E+00
  14    0.445614E-06    0.487425E+03 -0.914220E-09 0.100000E-04    0.937981E+00
  15   -0.457691E-06    0.460507E+03  0.993885E-09 0.100000E-04    0.947689E+00
  16   -0.150547E-06    0.459730E+03  0.327468E-09 0.100000E-04    0.820181E+00
  17   -0.645751E-06    0.441620E+03  0.146223E-08 0.100000E-04    0.916961E+00
  18   -0.426074E-06    0.429483E+03  0.992062E-09 0.100000E-04    0.942019E+00
  19   -0.118134E-06    0.421856E+03  0.280035E-09 0.100000E-04    0.776348E+00
  20   -0.387973E-06    0.407818E+03  0.951340E-09 0.100000E-04    0.932579E+00
  21   -0.450503E-06    0.396292E+03  0.113680E-08 0.100000E-04    0.928434E+00
  22   -0.631104E-06    0.387357E+03  0.162926E-08 0.100000E-04    0.996347E+00
  23    0.843275E-06    0.370067E+03 -0.227871E-08 0.100000E-04    0.931947E+00
  24   -0.429433E-06    0.360581E+03  0.119095E-08 0.100000E-04    0.984755E+00
  25   -0.524079E-07    0.349289E+03  0.150042E-09 0.100000E-04    0.604081E+00
  26    0.922832E-08    0.335348E+03 -0.275187E-10 0.100000E-04    0.227203E+00
  27    0.411411E-06    0.329372E+03 -0.124908E-08 0.100000E-04    0.901847E+00
  28   -0.432192E-06    0.321811E+03  0.134300E-08 0.100000E-04    0.908081E+00
  29   -0.160135E-06    0.319178E+03  0.501710E-09 0.100000E-04    0.392329E+00
  30   -0.141971E-05    0.309303E+03  0.459003E-08 0.100000E-04    0.969055E+00
  31   -0.108385E-05    0.300772E+03  0.360357E-08 0.100000E-04    0.962416E+00
  32   -0.127737E-05    0.290606E+03  0.439553E-08 0.100000E-04    0.975244E+00
  33   -0.792035E-07    0.279110E+03  0.283772E-09 0.100000E-04    0.235244E+00
  34    0.137784E-07    0.272772E+03 -0.505124E-10 0.100000E-04    0.440924E+00
  35    0.103767E-05    0.268558E+03 -0.386387E-08 0.100000E-04    0.976677E+00
  36    0.124004E-05    0.264979E+03 -0.467978E-08 0.100000E-04    0.988203E+00
  37   -0.546513E-06    0.263882E+03  0.207105E-08 0.100000E-04    0.905548E+00
  38   -0.127925E-06    0.253170E+03  0.505291E-09 0.100000E-04    0.969222E+00
  39   -0.391590E-06    0.241599E+03  0.162082E-08 0.100000E-04    0.917736E+00
  40   -0.122246E-05    0.240803E+03  0.507660E-08 0.100000E-04    0.990146E+00
  41   -0.959250E-06    0.234073E+03  0.409807E-08 0.100000E-04    0.990455E+00
  42   -0.173874E-05    0.227544E+03  0.764133E-08 0.100000E-04    0.971840E+00
  43    0.299882E-08    0.217191E+03 -0.138073E-10 0.100000E-04    0.898205E+00
  44   -0.197094E-05    0.214903E+03  0.917131E-08 0.100000E-04    0.974181E+00
  45    0.710407E-06    0.213238E+03 -0.333152E-08 0.100000E-04    0.981868E+00
  46    0.106967E-05    0.207714E+03 -0.514973E-08 0.100000E-04    0.986199E+00
  47   -0.750690E-06    0.202967E+03  0.369859E-08 0.100000E-04    0.970562E+00
  48   -0.129234E-05    0.195370E+03  0.661484E-08 0.100000E-04    0.937840E+00
  49    0.100361E-05    0.194870E+03 -0.515013E-08 0.100000E-04    0.953394E+00
  50    0.134776E-05    0.191398E+03 -0.704164E-08 0.100000E-04    0.886348E+00
  51    0.248077E-06    0.183017E+03 -0.135549E-08 0.100000E-04    0.873602E+00
  52   -0.648113E-06    0.174415E+03  0.371593E-08 0.100000E-04    0.938859E+00
  53    0.129718E-06    0.172356E+03 -0.752617E-09 0.100000E-04    0.872733E+00
  54   -0.203571E-06    0.168237E+03  0.121002E-08 0.100000E-04    0.941129E+00
  55   -0.799407E-06    0.163197E+03  0.489843E-08 0.100000E-04    0.987674E+00
  56    0.137288E-05    0.156857E+03 -0.875245E-08 0.100000E-04    0.977616E+00
  57    0.401736E-06    0.154952E+03 -0.259265E-08 0.100000E-04    0.832211E+00
  58    0.912149E-06    0.152241E+03 -0.599147E-08 0.100000E-04    0.995414E+00
  59   -0.611789E-06    0.146619E+03  0.417264E-08 0.100000E-04    0.995487E+00
  60    0.229902E-06    0.143316E+03 -0.160416E-08 0.100000E-04    0.705570E+00
  61   -0.102750E-05    0.138133E+03  0.743844E-08 0.100000E-04    0.818665E+00
  62    0.962839E-06    0.135873E+03 -0.708632E-08 0.100000E-04    0.976107E+00
  63   -0.224066E-05    0.130272E+03  0.171999E-07 0.100000E-04    0.926314E+00
  64    0.253540E-06    0.128856E+03 -0.196762E-08 0.100000E-04    0.393581E+00
  65   -0.137389E-05    0.126914E+03  0.108254E-07 0.100000E-04    0.889955E+00
  66    0.744857E-06    0.123987E+03 -0.600755E-08 0.100000E-04    0.892551E+00
  67    0.190475E-05    0.120026E+03 -0.158695E-07 0.100000E-04    0.967145E+00
  68    0.467679E-06    0.118178E+03 -0.395743E-08 0.100000E-04    0.938739E+00
  69    0.623240E-07    0.116805E+03 -0.533575E-09 0.100000E-04    0.435723E+01
  70    0.137077E-05    0.110382E+03 -0.124184E-07 0.100000E-04    0.951819E+00
  71   -0.761901E-06    0.106814E+03  0.713298E-08 0.100000E-04    0.919915E+00
  72    0.867299E-06    0.104471E+03 -0.830184E-08 0.100000E-04    0.870630E+00
  73   -0.161263E-06    0.102861E+03  0.156777E-08 0.100000E-04    0.724424E+00
  74   -0.285789E-07    0.995070E+02  0.287205E-09 0.100000E-04    0.425535E+00
  75    0.346910E-07    0.960747E+02 -0.361084E-09 0.100000E-04    0.219245E+00
  76    0.170862E-06    0.940856E+02 -0.181603E-08 0.100000E-04    0.862112E+00
  77    0.148570E-05    0.919370E+02 -0.161600E-07 0.100000E-04    0.962331E+00
  78    0.795104E-06    0.912480E+02 -0.871366E-08 0.100000E-04    0.975598E+00
  79    0.769752E-06    0.883792E+02 -0.870965E-08 0.100000E-04    0.987477E+00
  80   -0.607606E-06    0.856324E+02  0.709552E-08 0.100000E-04    0.920639E+00
  81    0.128173E-05    0.808412E+02 -0.158549E-07 0.100000E-04    0.996650E+00
  82   -0.128129E-05    0.805543E+02  0.159059E-07 0.100000E-04    0.937260E+00
  83   -0.158486E-06    0.779394E+02  0.203345E-08 0.100000E-04    0.741059E+00
  84    0.500247E-06    0.732687E+02 -0.682757E-08 0.100000E-04    0.424445E+00
  85    0.224312E-05    0.725115E+02 -0.309347E-07 0.100000E-04    0.892685E+00
  86   -0.588591E-06    0.678940E+02  0.866927E-08 0.100000E-04    0.843136E+00
  87    0.102608E-05    0.647187E+02 -0.158544E-07 0.100000E-04    0.788445E+00
  88   -0.955272E-06    0.613145E+02  0.155799E-07 0.100000E-04    0.950514E+00
  89   -0.202392E-05    0.598166E+02  0.338354E-07 0.100000E-04    0.951144E+00
  90    0.233389E-05    0.594078E+02 -0.392859E-07 0.100000E-04    0.980452E+00
  91   -0.291417E-05    0.581332E+02  0.501293E-07 0.100000E-04    0.931888E+00
  92   -0.382199E-05    0.558566E+02  0.684250E-07 0.100000E-04    0.955360E+00
  93   -0.334539E-05    0.524377E+02  0.637973E-07 0.100000E-04    0.987494E+00
  94   -0.530210E-06    0.520005E+02  0.101963E-07 0.100000E-04    0.838531E+00
  95    0.217977E-05    0.502872E+02 -0.433463E-07 0.100000E-04    0.887783E+00
  96   -0.123521E-05    0.461250E+02  0.267796E-07 0.100000E-04    0.936368E+00
  97    0.327797E-05    0.433853E+02 -0.755550E-07 0.100000E-04    0.889534E+00
  98    0.759014E-06    0.409252E+02 -0.185464E-07 0.100000E-04    0.563094E+00
  99    0.229102E-05    0.378645E+02 -0.605058E-07 0.100000E-04    0.802464E+00
 100    0.169992E-05    0.361808E+02 -0.469841E-07 0.100000E-04    0.896267E+00
 101   -0.113837E-04    0.322389E+02  0.353104E-06 0.100000E-04    0.948371E+00
 102    0.423795E-06    0.289279E+02 -0.146500E-07 0.100000E-04    0.272379E+00
 103    0.255384E-05    0.284574E+02 -0.897427E-07 0.100000E-04    0.963906E+00
 104    0.557524E-06    0.263214E+02 -0.211814E-07 0.100000E-04    0.649775E+00
 105    0.668857E-05    0.233251E+02 -0.286754E-06 0.100000E-04    0.936196E+00
 106    0.503396E-05    0.213460E+02 -0.235827E-06 0.100000E-04    0.970966E+00
 107   -0.227371E-04    0.198464E+02  0.114565E-05 0.100000E-04    0.929005E+00
 108   -0.250308E-04    0.164478E+02  0.152184E-05 0.100000E-04    0.938268E+00
 109   -0.531658E-05    0.139134E+02  0.382121E-06 0.100000E-04    0.959961E+00
 110   -0.106552E-04    0.122449E+02  0.870171E-06 0.100000E-04    0.854658E+00
 111   -0.311296E-05    0.100850E+02  0.308671E-06 0.100000E-04    0.719502E+00
 112    0.298049E-01    0.918250E+01 -0.100000E-04 0.100000E-04    0.594444E+00
 113    0.103167E+00    0.576092E+01 -0.198806E-04 0.198806E-04    0.216298E+00
 114    0.913903E+00    0.314534E+01  0.100000E-04 0.100000E-04    0.869739E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1988064867E-04    0.2694608424    

 Beginning of optimization cycle  685.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989206115
 potential> RMS force:                                               0.0861851784   |gradient|=.9202058935    
 Eigenvalues of the Hessian matrix:
   746.97866    673.95231    630.91947    600.54494    586.32648    578.90219 
   564.59017    487.42505    460.50614    459.72966    441.61995    429.48467 
   421.85519    407.81618    396.29193    387.35548    370.06700    360.58119 
   349.28828    335.34857    329.37252    321.81051    319.17870    309.30237 
   300.77156    290.60606    279.11116    272.77205    268.55782    264.97918 
   263.88300    253.16920    241.59926    240.80380    234.07401    227.54477 
   217.19151    214.90299    213.23803    207.71495    202.96627    195.36941 
   194.87059    191.39872    183.01739    174.41542    172.35606    168.23757 
   163.19636    156.85669    154.95218    152.24103    146.61871    143.31595 
   138.13390    135.87292    130.27154    128.85629    126.91432    123.98572 
   120.02587    118.17784    116.80412    110.38211    106.81369    104.47098 
   102.86139     99.50697     96.07454     94.08543     91.93663     91.24818 
    88.37875     85.63266     80.84130     80.55499     77.93915     73.26848 
    72.51091     67.89368     64.71829     61.31409     59.81629     59.40793 
    58.13315     55.85643     52.43760     52.00010     50.28777     46.12460 
    43.38581     40.92529     37.86446     36.18046     32.23858     28.92824 
    28.45744     26.32163     23.32499     21.34629     19.84633     16.44768 
    13.91342     12.24497     10.08496      9.18395      5.76107      3.14503 
overlap for current and previous eigenvector    109 is         0.9999999895
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999566
overlap for current and previous eigenvector    112 is         0.9999999279
overlap for current and previous eigenvector    113 is         0.9999999423
overlap for current and previous eigenvector    114 is         0.9999999700
J1,K1,R1,R2,RAT=   7   7   -0.1238388766E-01     2.012373965        0.9876161123    
FOB,PFOB,DIAG,PSTEP=   -0.1723299334E-06   -0.1702219139E-06     746.9786575        0.2278816895E-09
J1,K1,R1,R2,RAT=   8   8    0.4788300628E-01     1.952120644        0.9521169937    
FOB,PFOB,DIAG,PSTEP=   -0.4019360705E-06   -0.4221498369E-06     673.9523057        0.6263782509E-09
J1,K1,R1,R2,RAT=   9   9    0.5275008191E-01     1.947240961        0.9472409607    
FOB,PFOB,DIAG,PSTEP=   -0.7061587480E-06   -0.7454832253E-06     630.9194728        0.1181587502E-08
J1,K1,R1,R2,RAT=  10  10    0.4928195512         1.507187867        0.5071804488    
FOB,PFOB,DIAG,PSTEP=   -0.2867590648E-07   -0.5653964620E-07     600.5449377        0.9414688720E-10
J1,K1,R1,R2,RAT=  11  11    0.7148337763         1.285167793        0.2851662237    
FOB,PFOB,DIAG,PSTEP=    0.1188834388E-08    0.4168909044E-08     586.3264813       -0.7110212324E-11
J1,K1,R1,R2,RAT= 109 109    0.4405813307E-01     1.955933487        0.9559334867    
FOB,PFOB,DIAG,PSTEP=   -0.5082342204E-05   -0.5316581856E-05     13.91341518        0.3821207134E-06
J1,K1,R1,R2,RAT= 110 110    0.1510578865         1.848938520        0.8489385201    
FOB,PFOB,DIAG,PSTEP=   -0.9045643124E-05   -0.1065519765E-04     12.24496721        0.8701711175E-06
J1,K1,R1,R2,RAT= 111 111    0.2171174503         1.782894853        0.7828825497    
FOB,PFOB,DIAG,PSTEP=   -0.2437083728E-05   -0.3112956818E-05     10.08496377        0.3086711800E-06
J1,K1,R1,R2,RAT= 112 112    0.4409376147         648.6246297        0.5590623853    
FOB,PFOB,DIAG,PSTEP=    0.2976443831E-01    0.2980493381E-01     9.183951611       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8444428974         1802.346198        0.1555571026    
FOB,PFOB,DIAG,PSTEP=    0.1032632270        0.1031665097         5.761074525       -0.1988064867E-04
J1,K1,R1,R2,RAT= 114 114    0.1884868066        -58117.52996        0.8115131934    
FOB,PFOB,DIAG,PSTEP=    0.9139090049        0.9139030769         3.145027126        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.02976      0.10326      0.91391 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3807267420
 Log product of positive Hessian eigenvalues =          519.0773475735
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1450271255
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=       -0.0000000022
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=        0.0000000061
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=        0.0000000158
 Unscaled step for mode   64=       -0.0000000011
 Unscaled step for mode   65=        0.0000000096
 Unscaled step for mode   66=       -0.0000000053
 Unscaled step for mode   67=       -0.0000000152
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=       -0.0000000117
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=       -0.0000000098
 Unscaled step for mode   73=        0.0000000012
 Unscaled step for mode   74=        0.0000000007
 Unscaled step for mode   75=       -0.0000000019
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=        0.0000000084
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000148
 Unscaled step for mode   83=        0.0000000029
 Unscaled step for mode   84=       -0.0000000039
 Unscaled step for mode   85=       -0.0000000274
 Unscaled step for mode   86=        0.0000000072
 Unscaled step for mode   87=       -0.0000000125
 Unscaled step for mode   88=        0.0000000164
 Unscaled step for mode   89=        0.0000000320
 Unscaled step for mode   90=       -0.0000000383
 Unscaled step for mode   91=        0.0000000459
 Unscaled step for mode   92=        0.0000000647
 Unscaled step for mode   93=        0.0000000626
 Unscaled step for mode   94=        0.0000000124
 Unscaled step for mode   95=       -0.0000000383
 Unscaled step for mode   96=        0.0000000246
 Unscaled step for mode   97=       -0.0000000665
 Unscaled step for mode   98=       -0.0000000121
 Unscaled step for mode   99=       -0.0000000488
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003310
 Unscaled step for mode  102=       -0.0000000046
 Unscaled step for mode  103=       -0.0000000861
 Unscaled step for mode  104=       -0.0000000356
 Unscaled step for mode  105=       -0.0000002656
 Unscaled step for mode  106=       -0.0000002272
 Unscaled step for mode  107=        0.0000010523
 Unscaled step for mode  108=        0.0000014127
 Unscaled step for mode  109=        0.0000003653
 Unscaled step for mode  110=        0.0000007387
 Unscaled step for mode  111=        0.0000002417
 Unscaled step for mode  112=       -0.0032408844
 Unscaled step for mode  113=       -0.0179185448
 Unscaled step for mode  114=        0.2694853627
 Largest modulus ratio of non-zero e/values=           237.5110381    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.162099E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.167558E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.241074E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.175885E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.368846E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.413185E-14    0.974323E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172330E-06    0.746979E+03  0.230703E-09 0.100000E-04    0.987616E+00
   8   -0.401936E-06    0.673952E+03  0.596387E-09 0.100000E-04    0.952117E+00
   9   -0.706159E-06    0.630919E+03  0.111925E-08 0.100000E-04    0.947241E+00
  10   -0.286759E-07    0.600545E+03  0.477498E-10 0.100000E-04    0.507180E+00
  11    0.118883E-08    0.586326E+03 -0.202760E-11 0.100000E-04    0.285166E+00
  12   -0.100757E-05    0.578902E+03  0.174049E-08 0.100000E-04    0.944155E+00
  13    0.484351E-07    0.564590E+03 -0.857880E-10 0.100000E-04    0.903975E+00
  14    0.415606E-06    0.487425E+03 -0.852656E-09 0.100000E-04    0.932659E+00
  15   -0.430110E-06    0.460506E+03  0.933994E-09 0.100000E-04    0.939738E+00
  16   -0.123151E-06    0.459730E+03  0.267877E-09 0.100000E-04    0.818025E+00
  17   -0.587562E-06    0.441620E+03  0.133047E-08 0.100000E-04    0.909890E+00
  18   -0.397347E-06    0.429485E+03  0.925171E-09 0.100000E-04    0.932571E+00
  19   -0.157916E-06    0.421855E+03  0.374336E-09 0.100000E-04    0.663253E+00
  20   -0.358448E-06    0.407816E+03  0.878946E-09 0.100000E-04    0.923899E+00
  21   -0.414504E-06    0.396292E+03  0.104596E-08 0.100000E-04    0.920090E+00
  22   -0.626517E-06    0.387355E+03  0.161742E-08 0.100000E-04    0.992731E+00
  23    0.779360E-06    0.370067E+03 -0.210600E-08 0.100000E-04    0.924204E+00
  24   -0.421016E-06    0.360581E+03  0.116760E-08 0.100000E-04    0.980399E+00
  25   -0.922093E-07    0.349288E+03  0.263992E-09 0.100000E-04    0.240543E+00
  26   -0.510879E-07    0.335349E+03  0.152343E-09 0.100000E-04    0.353598E+01
  27    0.366526E-06    0.329373E+03 -0.111280E-08 0.100000E-04    0.890895E+00
  28   -0.387353E-06    0.321811E+03  0.120367E-08 0.100000E-04    0.896251E+00
  29   -0.842440E-07    0.319179E+03  0.263940E-09 0.100000E-04    0.526079E+00
  30   -0.136297E-05    0.309302E+03  0.440658E-08 0.100000E-04    0.960029E+00
  31   -0.103603E-05    0.300772E+03  0.344458E-08 0.100000E-04    0.955876E+00
  32   -0.123778E-05    0.290606E+03  0.425930E-08 0.100000E-04    0.969008E+00
  33   -0.267413E-07    0.279111E+03  0.958089E-10 0.100000E-04    0.337622E+00
  34   -0.411292E-07    0.272772E+03  0.150782E-09 0.100000E-04    0.985057E+00
  35    0.100583E-05    0.268558E+03 -0.374531E-08 0.100000E-04    0.969315E+00
  36    0.122112E-05    0.264979E+03 -0.460837E-08 0.100000E-04    0.984739E+00
  37   -0.490941E-06    0.263883E+03  0.186045E-08 0.100000E-04    0.898311E+00
  38   -0.132175E-06    0.253169E+03  0.522082E-09 0.100000E-04    0.966774E+00
  39   -0.435770E-06    0.241599E+03  0.180369E-08 0.100000E-04    0.887176E+00
  40   -0.120603E-05    0.240804E+03  0.500834E-08 0.100000E-04    0.986553E+00
  41   -0.970459E-06    0.234074E+03  0.414595E-08 0.100000E-04    0.988314E+00
  42   -0.167552E-05    0.227545E+03  0.736348E-08 0.100000E-04    0.963637E+00
  43    0.512543E-08    0.217192E+03 -0.235987E-10 0.100000E-04    0.290852E+00
  44   -0.190923E-05    0.214903E+03  0.888414E-08 0.100000E-04    0.968687E+00
  45    0.723317E-06    0.213238E+03 -0.339207E-08 0.100000E-04    0.981827E+00
  46    0.105355E-05    0.207715E+03 -0.507210E-08 0.100000E-04    0.984923E+00
  47   -0.725524E-06    0.202966E+03  0.357460E-08 0.100000E-04    0.966477E+00
  48   -0.119739E-05    0.195369E+03  0.612886E-08 0.100000E-04    0.926528E+00
  49    0.951562E-06    0.194871E+03 -0.488305E-08 0.100000E-04    0.948139E+00
  50    0.118185E-05    0.191399E+03 -0.617479E-08 0.100000E-04    0.876893E+00
  51    0.214271E-06    0.183017E+03 -0.117077E-08 0.100000E-04    0.863720E+00
  52   -0.601525E-06    0.174415E+03  0.344880E-08 0.100000E-04    0.928108E+00
  53    0.153228E-06    0.172356E+03 -0.889019E-09 0.100000E-04    0.818762E+00
  54   -0.218010E-06    0.168238E+03  0.129585E-08 0.100000E-04    0.929070E+00
  55   -0.806613E-06    0.163196E+03  0.494259E-08 0.100000E-04    0.990986E+00
  56    0.133608E-05    0.156857E+03 -0.851786E-08 0.100000E-04    0.973197E+00
  57    0.335115E-06    0.154952E+03 -0.216270E-08 0.100000E-04    0.834161E+00
  58    0.914000E-06    0.152241E+03 -0.600364E-08 0.100000E-04    0.997971E+00
  59   -0.612542E-06    0.146619E+03  0.417779E-08 0.100000E-04    0.998768E+00
  60    0.169307E-06    0.143316E+03 -0.118135E-08 0.100000E-04    0.736429E+00
  61   -0.840382E-06    0.138134E+03  0.608382E-08 0.100000E-04    0.817886E+00
  62    0.932857E-06    0.135873E+03 -0.686566E-08 0.100000E-04    0.968860E+00
  63   -0.205392E-05    0.130272E+03  0.157664E-07 0.100000E-04    0.916655E+00
  64    0.137930E-06    0.128856E+03 -0.107042E-08 0.100000E-04    0.544016E+00
  65   -0.121341E-05    0.126914E+03  0.956089E-08 0.100000E-04    0.883191E+00
  66    0.661351E-06    0.123986E+03 -0.533409E-08 0.100000E-04    0.887888E+00
  67    0.182981E-05    0.120026E+03 -0.152451E-07 0.100000E-04    0.960654E+00
  68    0.435367E-06    0.118178E+03 -0.368399E-08 0.100000E-04    0.930906E+00
  69    0.393581E-08    0.116804E+03 -0.336958E-10 0.109000E-04    0.631475E-01
  70    0.129419E-05    0.110382E+03 -0.117246E-07 0.100000E-04    0.944129E+00
  71   -0.694674E-06    0.106814E+03  0.650360E-08 0.100000E-04    0.911764E+00
  72    0.102030E-05    0.104471E+03 -0.976634E-08 0.100000E-04    0.823591E+00
  73   -0.119248E-06    0.102861E+03  0.115931E-08 0.100000E-04    0.739465E+00
  74   -0.723137E-07    0.995070E+02  0.726720E-09 0.100000E-04    0.530322E+00
  75    0.178397E-06    0.960745E+02 -0.185686E-08 0.100000E-04    0.314245E+01
  76    0.144656E-06    0.940854E+02 -0.153750E-08 0.100000E-04    0.846624E+00
  77   -0.155245E-05    0.919366E+02  0.168861E-07 0.100000E-04    0.955070E+00
  78   -0.767968E-06    0.912482E+02  0.841626E-08 0.100000E-04    0.965867E+00
  79    0.755083E-06    0.883788E+02 -0.854372E-08 0.100000E-04    0.980942E+00
  80   -0.555938E-06    0.856327E+02  0.649212E-08 0.100000E-04    0.914958E+00
  81    0.127332E-05    0.808413E+02 -0.157509E-07 0.100000E-04    0.993441E+00
  82   -0.118993E-05    0.805550E+02  0.147717E-07 0.100000E-04    0.928686E+00
  83   -0.222998E-06    0.779392E+02  0.286119E-08 0.100000E-04    0.592945E+00
  84    0.282450E-06    0.732685E+02 -0.385500E-08 0.100000E-04    0.564621E+00
  85    0.198999E-05    0.725109E+02 -0.274440E-07 0.100000E-04    0.887152E+00
  86   -0.491075E-06    0.678937E+02  0.723300E-08 0.100000E-04    0.834322E+00
  87    0.808694E-06    0.647183E+02 -0.124956E-07 0.100000E-04    0.788139E+00
  88   -0.100691E-05    0.613141E+02  0.164222E-07 0.100000E-04    0.945942E+00
  89   -0.191260E-05    0.598163E+02  0.319746E-07 0.100000E-04    0.945000E+00
  90    0.227414E-05    0.594079E+02 -0.382801E-07 0.100000E-04    0.974395E+00
  91   -0.266975E-05    0.581331E+02  0.459248E-07 0.100000E-04    0.916127E+00
  92   -0.361575E-05    0.558564E+02  0.647330E-07 0.100000E-04    0.946039E+00
  93   -0.328336E-05    0.524376E+02  0.626147E-07 0.100000E-04    0.981461E+00
  94   -0.643144E-06    0.520001E+02  0.123681E-07 0.100000E-04    0.787000E+00
  95    0.192757E-05    0.502878E+02 -0.383309E-07 0.100000E-04    0.884282E+00
  96   -0.113443E-05    0.461246E+02  0.245950E-07 0.100000E-04    0.918414E+00
  97    0.288456E-05    0.433858E+02 -0.664863E-07 0.100000E-04    0.879960E+00
  98    0.494091E-06    0.409253E+02 -0.120730E-07 0.100000E-04    0.650960E+00
  99    0.184738E-05    0.378645E+02 -0.487892E-07 0.100000E-04    0.806355E+00
 100    0.150877E-05    0.361805E+02 -0.417012E-07 0.100000E-04    0.887552E+00
 101   -0.106717E-04    0.322386E+02  0.331024E-06 0.100000E-04    0.937458E+00
 102    0.133539E-06    0.289282E+02 -0.461623E-08 0.100000E-04    0.315089E+00
 103    0.244965E-05    0.284574E+02 -0.860813E-07 0.100000E-04    0.959199E+00
 104    0.938295E-06    0.263216E+02 -0.356473E-07 0.100000E-04    0.317039E+00
 105    0.619441E-05    0.233250E+02 -0.265570E-06 0.100000E-04    0.926118E+00
 106    0.485046E-05    0.213463E+02 -0.227227E-06 0.100000E-04    0.963524E+00
 107   -0.208839E-04    0.198463E+02  0.105228E-05 0.100000E-04    0.918494E+00
 108   -0.232352E-04    0.164477E+02  0.141268E-05 0.100000E-04    0.928265E+00
 109   -0.508234E-05    0.139134E+02  0.365284E-06 0.100000E-04    0.955933E+00
 110   -0.904564E-05    0.122450E+02  0.738723E-06 0.100000E-04    0.848939E+00
 111   -0.243708E-05    0.100850E+02  0.241655E-06 0.100000E-04    0.782883E+00
 112    0.297644E-01    0.918395E+01 -0.100000E-04 0.100000E-04    0.559062E+00
 113    0.103263E+00    0.576107E+01 -0.216699E-04 0.216699E-04    0.155557E+00
 114    0.913909E+00    0.314503E+01  0.100000E-04 0.100000E-04    0.811513E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2166990705E-04    0.2694853627    

 Beginning of optimization cycle  686.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989140058
 potential> RMS force:                                               0.0861865136   |gradient|=.9202201501    
 Eigenvalues of the Hessian matrix:
   746.98244    673.95087    630.92238    600.54274    586.32596    578.90227 
   564.58602    487.42462    460.50486    459.72913    441.61939    429.48602 
   421.85455    407.81454    396.29135    387.35407    370.06746    360.58137 
   349.28762    335.34923    329.37338    321.81022    319.17944    309.30122 
   300.77102    290.60614    279.11268    272.77252    268.55812    264.97950 
   263.88360    253.16865    241.59968    240.80412    234.07482    227.54512 
   217.19231    214.90313    213.23775    207.71546    202.96586    195.36861 
   194.87098    191.39917    183.01816    174.41617    172.35631    168.23786 
   163.19603    156.85647    154.95271    152.24084    146.61812    143.31553 
   138.13443    135.87291    130.27128    128.85649    126.91452    123.98457 
   120.02605    118.17796    116.80368    110.38236    106.81353    104.47118 
   102.86146     99.50690     96.07433     94.08518     91.93624     91.24840 
    88.37824     85.63296     80.84139     80.55567     77.93892     73.26825 
    72.51031     67.89335     64.71785     61.31367     59.81600     59.40801 
    58.13311     55.85618     52.43749     51.99971     50.28837     46.12416 
    43.38639     40.92540     37.86440     36.18007     32.23821     28.92858 
    28.45750     26.32193     23.32489     21.34653     19.84624     16.44757 
    13.91347     12.24499     10.08491      9.18549      5.76125      3.14471 
overlap for current and previous eigenvector    109 is        -0.9999999881
overlap for current and previous eigenvector    110 is        -0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999492
overlap for current and previous eigenvector    112 is        -0.9999999176
overlap for current and previous eigenvector    113 is         0.9999999363
overlap for current and previous eigenvector    114 is         0.9999999665
J1,K1,R1,R2,RAT=   7   7    0.4765885409E-02     1.995223983        0.9952239833    
FOB,PFOB,DIAG,PSTEP=   -0.1715086246E-06   -0.1723299334E-06     746.9824414        0.2307026201E-09
J1,K1,R1,R2,RAT=   8   8   -0.4115951707E-01     2.041163775        0.9588404829    
FOB,PFOB,DIAG,PSTEP=   -0.4184795299E-06   -0.4019360705E-06     673.9508708        0.5963865204E-09
J1,K1,R1,R2,RAT=   9   9   -0.4498249466E-01     2.044973270        0.9550175053    
FOB,PFOB,DIAG,PSTEP=   -0.7379236766E-06   -0.7061587480E-06     630.9223828        0.1119253373E-08
J1,K1,R1,R2,RAT=  10  10   -0.8237361723         2.823743497        0.1762638277    
FOB,PFOB,DIAG,PSTEP=   -0.5229720141E-07   -0.2867590648E-07     600.5427382        0.4774980969E-10
J1,K1,R1,R2,RAT=  11  11    -1.203618477         3.203620260        0.2036184774    
FOB,PFOB,DIAG,PSTEP=    0.2619736148E-08    0.1188834388E-08     586.3259588       -0.2027597978E-11
J1,K1,R1,R2,RAT= 109 109     2.040063482       -0.4007203721E-01    0.9599279628    
FOB,PFOB,DIAG,PSTEP=    0.5286002881E-05   -0.5082342204E-05     13.91347470        0.3652835871E-06
J1,K1,R1,R2,RAT= 110 110     2.146853211       -0.1468568799        0.8531431201    
FOB,PFOB,DIAG,PSTEP=    0.1037406049E-04   -0.9045643124E-05     12.24498967        0.7387233441E-06
J1,K1,R1,R2,RAT= 111 111     2.279475473       -0.2794638660        0.7205361340    
FOB,PFOB,DIAG,PSTEP=    0.3118156616E-05   -0.2437083728E-05     10.08490524        0.2416551793E-06
J1,K1,R1,R2,RAT= 112 112     647.6629660        0.4124284232        0.5875715768    
FOB,PFOB,DIAG,PSTEP=   -0.2972655476E-01    0.2976443831E-01     9.185486310       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7887140226         1655.042714        0.2112859774    
FOB,PFOB,DIAG,PSTEP=    0.1033616946        0.1032632270         5.761246357       -0.2166990705E-04
J1,K1,R1,R2,RAT= 114 114    0.1417187969        -58123.80274        0.8582812031    
FOB,PFOB,DIAG,PSTEP=    0.9139134615        0.9139090049         3.144705577        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002      0.00002 
     0.00001      0.00001      0.00000     -0.02973      0.10336      0.91391 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3807062271
 Log product of positive Hessian eigenvalues =          519.0774131417
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1447055773
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000051
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000072
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=        0.0000000169
 Unscaled step for mode   64=       -0.0000000018
 Unscaled step for mode   65=        0.0000000106
 Unscaled step for mode   66=       -0.0000000059
 Unscaled step for mode   67=       -0.0000000157
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=        0.0000000070
 Unscaled step for mode   72=       -0.0000000086
 Unscaled step for mode   73=        0.0000000015
 Unscaled step for mode   74=        0.0000000003
 Unscaled step for mode   75=       -0.0000000006
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=        0.0000000086
 Unscaled step for mode   79=       -0.0000000086
 Unscaled step for mode   80=        0.0000000070
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=        0.0000000157
 Unscaled step for mode   83=        0.0000000022
 Unscaled step for mode   84=       -0.0000000063
 Unscaled step for mode   85=       -0.0000000304
 Unscaled step for mode   86=        0.0000000084
 Unscaled step for mode   87=       -0.0000000152
 Unscaled step for mode   88=        0.0000000156
 Unscaled step for mode   89=        0.0000000335
 Unscaled step for mode   90=       -0.0000000390
 Unscaled step for mode   91=        0.0000000490
 Unscaled step for mode   92=        0.0000000676
 Unscaled step for mode   93=        0.0000000634
 Unscaled step for mode   94=        0.0000000104
 Unscaled step for mode   95=       -0.0000000426
 Unscaled step for mode   96=        0.0000000261
 Unscaled step for mode   97=       -0.0000000739
 Unscaled step for mode   98=       -0.0000000176
 Unscaled step for mode   99=       -0.0000000586
 Unscaled step for mode  100=       -0.0000000460
 Unscaled step for mode  101=        0.0000003479
 Unscaled step for mode  102=       -0.0000000126
 Unscaled step for mode  103=       -0.0000000892
 Unscaled step for mode  104=       -0.0000000246
 Unscaled step for mode  105=       -0.0000002823
 Unscaled step for mode  106=       -0.0000002337
 Unscaled step for mode  107=        0.0000011262
 Unscaled step for mode  108=       -0.0000014990
 Unscaled step for mode  109=       -0.0000003799
 Unscaled step for mode  110=       -0.0000008472
 Unscaled step for mode  111=       -0.0000003092
 Unscaled step for mode  112=        0.0032362188
 Unscaled step for mode  113=       -0.0179350856
 Unscaled step for mode  114=        0.2695103223
 Largest modulus ratio of non-zero e/values=           237.5365271    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.148341E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.141960E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.438573E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.154174E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.146042E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.422585E-14    0.974323E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171509E-06    0.746982E+03  0.229602E-09 0.100000E-04    0.995224E+00
   8   -0.418480E-06    0.673951E+03  0.620935E-09 0.100000E-04    0.958840E+00
   9   -0.737924E-06    0.630922E+03  0.116960E-08 0.100000E-04    0.955018E+00
  10   -0.522972E-07    0.600543E+03  0.870832E-10 0.109000E-04    0.176264E+00
  11    0.261974E-08    0.586326E+03 -0.446805E-11 0.100000E-04    0.203618E+00
  12   -0.105667E-05    0.578902E+03  0.182530E-08 0.100000E-04    0.951274E+00
  13    0.446566E-07    0.564586E+03 -0.790962E-10 0.100000E-04    0.921988E+00
  14    0.441182E-06    0.487425E+03 -0.905128E-09 0.100000E-04    0.938462E+00
  15   -0.452468E-06    0.460505E+03  0.982547E-09 0.100000E-04    0.948019E+00
  16   -0.145671E-06    0.459729E+03  0.316862E-09 0.100000E-04    0.817139E+00
  17   -0.636162E-06    0.441619E+03  0.144052E-08 0.100000E-04    0.917286E+00
  18   -0.420367E-06    0.429486E+03  0.978769E-09 0.100000E-04    0.942065E+00
  19   -0.124500E-06    0.421855E+03  0.295126E-09 0.100000E-04    0.788397E+00
  20   -0.382493E-06    0.407815E+03  0.937910E-09 0.100000E-04    0.932920E+00
  21   -0.444126E-06    0.396291E+03  0.112071E-08 0.100000E-04    0.928535E+00
  22   -0.628726E-06    0.387354E+03  0.162313E-08 0.100000E-04    0.996474E+00
  23    0.832208E-06    0.370067E+03 -0.224880E-08 0.100000E-04    0.932191E+00
  24   -0.427409E-06    0.360581E+03  0.118533E-08 0.100000E-04    0.984816E+00
  25   -0.583322E-07    0.349288E+03  0.167003E-09 0.100000E-04    0.632605E+00
  26   -0.250376E-08    0.335349E+03  0.746613E-11 0.109000E-04    0.490068E-01
  27    0.402392E-06    0.329373E+03 -0.122169E-08 0.100000E-04    0.902146E+00
  28   -0.422978E-06    0.321810E+03  0.131437E-08 0.100000E-04    0.908028E+00
  29   -0.143296E-06    0.319179E+03  0.448952E-09 0.100000E-04    0.299034E+00
  30   -0.140404E-05    0.309301E+03  0.453940E-08 0.100000E-04    0.969862E+00
  31   -0.107438E-05    0.300771E+03  0.357210E-08 0.100000E-04    0.962980E+00
  32   -0.126779E-05    0.290606E+03  0.436259E-08 0.100000E-04    0.975750E+00
  33   -0.695934E-07    0.279113E+03  0.249338E-09 0.100000E-04    0.602456E+00
  34    0.286627E-08    0.272773E+03 -0.105079E-10 0.109000E-04    0.696874E-01
  35    0.102893E-05    0.268558E+03 -0.383131E-08 0.100000E-04    0.977037E+00
  36    0.123509E-05    0.264979E+03 -0.466108E-08 0.100000E-04    0.988562E+00
  37   -0.537263E-06    0.263884E+03  0.203598E-08 0.100000E-04    0.905647E+00
  38   -0.128260E-06    0.253169E+03  0.506618E-09 0.100000E-04    0.970378E+00
  39   -0.401409E-06    0.241600E+03  0.166146E-08 0.100000E-04    0.921145E+00
  40   -0.121757E-05    0.240804E+03  0.505626E-08 0.100000E-04    0.990430E+00
  41   -0.961551E-06    0.234075E+03  0.410788E-08 0.100000E-04    0.990813E+00
  42   -0.172173E-05    0.227545E+03  0.756653E-08 0.100000E-04    0.972423E+00
  43    0.476252E-08    0.217192E+03 -0.219276E-10 0.100000E-04    0.929187E+00
  44   -0.195781E-05    0.214903E+03  0.911021E-08 0.100000E-04    0.974552E+00
  45    0.710280E-06    0.213238E+03 -0.333093E-08 0.100000E-04    0.981976E+00
  46    0.106800E-05    0.207715E+03 -0.514166E-08 0.100000E-04    0.986284E+00
  47   -0.746565E-06    0.202966E+03  0.367828E-08 0.100000E-04    0.970999E+00
  48   -0.127142E-05    0.195369E+03  0.650782E-08 0.100000E-04    0.938171E+00
  49    0.995420E-06    0.194871E+03 -0.510810E-08 0.100000E-04    0.953910E+00
  50    0.131657E-05    0.191399E+03 -0.687866E-08 0.100000E-04    0.886006E+00
  51    0.241474E-06    0.183018E+03 -0.131940E-08 0.100000E-04    0.873042E+00
  52   -0.638079E-06    0.174416E+03  0.365837E-08 0.100000E-04    0.939231E+00
  53    0.134467E-06    0.172356E+03 -0.780170E-09 0.100000E-04    0.877562E+00
  54   -0.205361E-06    0.168238E+03  0.122066E-08 0.100000E-04    0.941978E+00
  55    0.796295E-06    0.163196E+03 -0.487938E-08 0.100000E-04    0.987208E+00
  56   -0.136572E-05    0.156856E+03  0.870678E-08 0.100000E-04    0.977822E+00
  57   -0.392031E-06    0.154953E+03  0.253000E-08 0.100000E-04    0.830159E+00
  58    0.909303E-06    0.152241E+03 -0.597279E-08 0.100000E-04    0.994861E+00
  59   -0.609740E-06    0.146618E+03  0.415869E-08 0.100000E-04    0.995425E+00
  60    0.221067E-06    0.143316E+03 -0.154252E-08 0.100000E-04    0.694279E+00
  61   -0.995202E-06    0.138134E+03  0.720459E-08 0.100000E-04    0.815775E+00
  62    0.955018E-06    0.135873E+03 -0.702876E-08 0.100000E-04    0.976244E+00
  63   -0.220426E-05    0.130271E+03  0.169205E-07 0.100000E-04    0.926804E+00
  64    0.231616E-06    0.128856E+03 -0.179748E-08 0.100000E-04    0.320774E+00
  65   -0.134735E-05    0.126915E+03  0.106162E-07 0.100000E-04    0.889623E+00
  66    0.732363E-06    0.123985E+03 -0.590689E-08 0.100000E-04    0.892625E+00
  67    0.188906E-05    0.120026E+03 -0.157388E-07 0.100000E-04    0.967619E+00
  68    0.461806E-06    0.118178E+03 -0.390771E-08 0.100000E-04    0.939272E+00
  69    0.558953E-07    0.116804E+03 -0.478541E-09 0.100000E-04    0.122018E+02
  70    0.135592E-05    0.110382E+03 -0.122839E-07 0.100000E-04    0.952299E+00
  71   -0.750240E-06    0.106814E+03  0.702383E-08 0.100000E-04    0.920011E+00
  72    0.894175E-06    0.104471E+03 -0.855906E-08 0.100000E-04    0.876382E+00
  73   -0.153255E-06    0.102861E+03  0.148992E-08 0.100000E-04    0.714822E+00
  74   -0.340210E-07    0.995069E+02  0.341896E-09 0.100000E-04    0.470463E+00
  75    0.568604E-07    0.960743E+02 -0.591837E-09 0.100000E-04    0.318729E+00
  76    0.164679E-06    0.940852E+02 -0.175032E-08 0.100000E-04    0.861585E+00
  77    0.149455E-05    0.919362E+02 -0.162564E-07 0.100000E-04    0.962700E+00
  78   -0.786533E-06    0.912484E+02  0.861969E-08 0.100000E-04    0.975826E+00
  79    0.764229E-06    0.883782E+02 -0.864726E-08 0.100000E-04    0.987887E+00
  80   -0.599904E-06    0.856330E+02  0.700553E-08 0.100000E-04    0.920915E+00
  81    0.127715E-05    0.808414E+02 -0.157982E-07 0.100000E-04    0.996997E+00
  82   -0.126398E-05    0.805557E+02  0.156908E-07 0.100000E-04    0.937774E+00
  83   -0.168741E-06    0.779389E+02  0.216504E-08 0.100000E-04    0.756689E+00
  84    0.461718E-06    0.732683E+02 -0.630175E-08 0.100000E-04    0.365308E+00
  85    0.220385E-05    0.725103E+02 -0.303936E-07 0.100000E-04    0.892531E+00
  86   -0.569702E-06    0.678934E+02  0.839113E-08 0.100000E-04    0.839888E+00
  87    0.983727E-06    0.647178E+02 -0.152002E-07 0.100000E-04    0.783559E+00
  88   -0.957306E-06    0.613137E+02  0.156133E-07 0.100000E-04    0.950735E+00
  89   -0.200527E-05    0.598160E+02  0.335239E-07 0.100000E-04    0.951550E+00
  90    0.231839E-05    0.594080E+02 -0.390249E-07 0.100000E-04    0.980541E+00
  91   -0.284969E-05    0.581331E+02  0.490201E-07 0.100000E-04    0.932601E+00
  92   -0.377484E-05    0.558562E+02  0.675815E-07 0.100000E-04    0.956001E+00
  93   -0.332258E-05    0.524375E+02  0.633628E-07 0.100000E-04    0.988055E+00
  94   -0.542377E-06    0.519997E+02  0.104304E-07 0.100000E-04    0.843320E+00
  95    0.214386E-05    0.502884E+02 -0.426314E-07 0.100000E-04    0.887793E+00
  96   -0.120463E-05    0.461242E+02  0.261171E-07 0.100000E-04    0.938120E+00
  97    0.320495E-05    0.433864E+02 -0.738700E-07 0.100000E-04    0.888930E+00
  98    0.722273E-06    0.409254E+02 -0.176485E-07 0.100000E-04    0.538180E+00
  99    0.221775E-05    0.378644E+02 -0.585709E-07 0.100000E-04    0.799513E+00
 100    0.166539E-05    0.361801E+02 -0.460306E-07 0.100000E-04    0.896192E+00
 101   -0.112142E-04    0.322382E+02  0.347854E-06 0.100000E-04    0.949170E+00
 102    0.365702E-06    0.289286E+02 -0.126415E-07 0.100000E-04    0.738511E+00
 103    0.253747E-05    0.284575E+02 -0.891671E-07 0.100000E-04    0.964150E+00
 104    0.647902E-06    0.263219E+02 -0.246145E-07 0.100000E-04    0.690490E+00
 105    0.658538E-05    0.233249E+02 -0.282333E-06 0.100000E-04    0.936883E+00
 106    0.498914E-05    0.213465E+02 -0.233722E-06 0.100000E-04    0.971409E+00
 107   -0.223514E-04    0.198462E+02  0.112623E-05 0.100000E-04    0.929730E+00
 108    0.246550E-04    0.164476E+02 -0.149901E-05 0.100000E-04    0.938894E+00
 109    0.528600E-05    0.139135E+02 -0.379920E-06 0.100000E-04    0.959928E+00
 110    0.103741E-04    0.122450E+02 -0.847209E-06 0.100000E-04    0.853143E+00
 111    0.311816E-05    0.100849E+02 -0.309190E-06 0.100000E-04    0.720536E+00
 112   -0.297266E-01    0.918549E+01  0.100000E-04 0.100000E-04    0.587572E+00
 113    0.103362E+00    0.576125E+01 -0.195224E-04 0.195224E-04    0.211286E+00
 114    0.913913E+00    0.314471E+01  0.100000E-04 0.100000E-04    0.858281E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1952243879E-04    0.2695103223    

 Beginning of optimization cycle  687.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989071802
 potential> RMS force:                                               0.0861879777   |gradient|=.9202357823    
 Eigenvalues of the Hessian matrix:
   746.98612    673.94967    630.92518    600.54052    586.32551    578.90235 
   564.58215    487.42431    460.50363    459.72861    441.61889    429.48720 
   421.85393    407.81301    396.29081    387.35270    370.06791    360.58151 
   349.28690    335.34984    329.37420    321.80999    319.18004    309.30011 
   300.77044    290.60619    279.11408    272.77296    268.55835    264.97980 
   263.88411    253.16806    241.60000    240.80443    234.07554    227.54540 
   217.19301    214.90326    213.23747    207.71592    202.96548    195.36784 
   194.87131    191.39961    183.01885    174.41687    172.35655    168.23812 
   163.19573    156.85626    154.95320    152.24067    146.61757    143.31516 
   138.13492    135.87290    130.27106    128.85669    126.91472    123.98351 
   120.02623    118.17809    116.80328    110.38259    106.81340    104.47140 
   102.86154     99.50684     96.07415     94.08497     91.93584     91.24859 
    88.37774     85.63324     80.84148     80.55630     77.93870     73.26807 
    72.50978     67.89307     64.71743     61.31325     59.81573     59.40810 
    58.13308     55.85598     52.43740     51.99937     50.28893     46.12377 
    43.38693     40.92552     37.86437     36.17977     32.23785     28.92890 
    28.45756     26.32221     23.32479     21.34678     19.84614     16.44748 
    13.91353     12.24501     10.08484      9.18693      5.76140      3.14440 
overlap for current and previous eigenvector    109 is         0.9999999897
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999572
overlap for current and previous eigenvector    112 is         0.9999999292
overlap for current and previous eigenvector    113 is         0.9999999438
overlap for current and previous eigenvector    114 is         0.9999999709
J1,K1,R1,R2,RAT=   7   7   -0.1223163950E-01     2.012221804        0.9877683605    
FOB,PFOB,DIAG,PSTEP=   -0.1736064665E-06   -0.1715086246E-06     746.9861150        0.2296019492E-09
J1,K1,R1,R2,RAT=   8   8    0.4742225499E-01     1.952581317        0.9525777450    
FOB,PFOB,DIAG,PSTEP=   -0.3986343223E-06   -0.4184795299E-06     673.9496670        0.6209347713E-09
J1,K1,R1,R2,RAT=   9   9    0.5224894556E-01     1.947742180        0.9477421797    
FOB,PFOB,DIAG,PSTEP=   -0.6993677715E-06   -0.7379236766E-06     630.9251824        0.1169595019E-08
J1,K1,R1,R2,RAT=  10  10    0.5239172284         1.476090174        0.4760827716    
FOB,PFOB,DIAG,PSTEP=   -0.2489789800E-07   -0.5229720141E-07     600.5405155        0.8708323003E-10
J1,K1,R1,R2,RAT=  11  11     1.105845784        0.8941557400        0.1058442600    
FOB,PFOB,DIAG,PSTEP=   -0.2772858190E-09    0.2619736148E-08     586.3255120       -0.4468054175E-11
J1,K1,R1,R2,RAT= 109 109    0.4320961829E-01     1.956781985        0.9567819852    
FOB,PFOB,DIAG,PSTEP=    0.5057595755E-05    0.5286002881E-05     13.91353311       -0.3799196819E-06
J1,K1,R1,R2,RAT= 110 110    0.1523855676         1.847610738        0.8476107382    
FOB,PFOB,DIAG,PSTEP=    0.8793200472E-05    0.1037406049E-04     12.24501229       -0.8472085944E-06
J1,K1,R1,R2,RAT= 111 111    0.2139404556         1.786071753        0.7860595444    
FOB,PFOB,DIAG,PSTEP=    0.2451060841E-05    0.3118156616E-05     10.08484368       -0.3091904723E-06
J1,K1,R1,R2,RAT= 112 112    0.4471280231         646.7019234        0.5528719769    
FOB,PFOB,DIAG,PSTEP=   -0.2968547743E-01   -0.2972655476E-01     9.186926781        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8500362480         1838.774474        0.1499637520    
FOB,PFOB,DIAG,PSTEP=    0.1034573037        0.1033616946         5.761398224       -0.1952243879E-04
J1,K1,R1,R2,RAT= 114 114    0.1989980092        -58129.85550        0.8010019908    
FOB,PFOB,DIAG,PSTEP=    0.9139197188        0.9139134615         3.144396566        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002      0.00002 
     0.00001      0.00001      0.00000     -0.02969      0.10346      0.91392 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3806840020
 Log product of positive Hessian eigenvalues =          519.0774736281
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1443965662
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000060
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=       -0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=        0.0000000085
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000059
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=        0.0000000155
 Unscaled step for mode   64=       -0.0000000009
 Unscaled step for mode   65=        0.0000000094
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=       -0.0000000151
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000116
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=       -0.0000000100
 Unscaled step for mode   73=        0.0000000011
 Unscaled step for mode   74=        0.0000000008
 Unscaled step for mode   75=       -0.0000000021
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=        0.0000000083
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=        0.0000000157
 Unscaled step for mode   82=       -0.0000000146
 Unscaled step for mode   83=        0.0000000030
 Unscaled step for mode   84=       -0.0000000034
 Unscaled step for mode   85=       -0.0000000270
 Unscaled step for mode   86=        0.0000000070
 Unscaled step for mode   87=       -0.0000000119
 Unscaled step for mode   88=        0.0000000164
 Unscaled step for mode   89=        0.0000000317
 Unscaled step for mode   90=       -0.0000000380
 Unscaled step for mode   91=        0.0000000449
 Unscaled step for mode   92=        0.0000000639
 Unscaled step for mode   93=        0.0000000622
 Unscaled step for mode   94=        0.0000000126
 Unscaled step for mode   95=       -0.0000000377
 Unscaled step for mode   96=        0.0000000240
 Unscaled step for mode   97=       -0.0000000650
 Unscaled step for mode   98=       -0.0000000113
 Unscaled step for mode   99=       -0.0000000471
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=        0.0000003261
 Unscaled step for mode  102=       -0.0000000028
 Unscaled step for mode  103=       -0.0000000856
 Unscaled step for mode  104=       -0.0000000389
 Unscaled step for mode  105=       -0.0000002615
 Unscaled step for mode  106=       -0.0000002253
 Unscaled step for mode  107=        0.0000010344
 Unscaled step for mode  108=       -0.0000013917
 Unscaled step for mode  109=       -0.0000003635
 Unscaled step for mode  110=       -0.0000007181
 Unscaled step for mode  111=       -0.0000002430
 Unscaled step for mode  112=        0.0032312402
 Unscaled step for mode  113=       -0.0179511919
 Unscaled step for mode  114=        0.2695348159
 Largest modulus ratio of non-zero e/values=           237.5610389    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1    0.114546E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2    0.253915E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.138365E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.387169E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.921355E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.469190E-14    0.974323E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173606E-06    0.746986E+03  0.232409E-09 0.100000E-04    0.987768E+00
   8   -0.398634E-06    0.673950E+03  0.591490E-09 0.100000E-04    0.952578E+00
   9   -0.699368E-06    0.630925E+03  0.110848E-08 0.100000E-04    0.947742E+00
  10   -0.248979E-07    0.600541E+03  0.414591E-10 0.100000E-04    0.476083E+00
  11   -0.277286E-09    0.586326E+03  0.472921E-12 0.109000E-04    0.105844E+00
  12   -0.998212E-06    0.578902E+03  0.172432E-08 0.100000E-04    0.944678E+00
  13    0.488425E-07    0.564582E+03 -0.865108E-10 0.100000E-04    0.906265E+00
  14    0.411732E-06    0.487424E+03 -0.844711E-09 0.100000E-04    0.933249E+00
  15   -0.425392E-06    0.460504E+03  0.923753E-09 0.100000E-04    0.940159E+00
  16   -0.118756E-06    0.459729E+03  0.258317E-09 0.100000E-04    0.815235E+00
  17   -0.579022E-06    0.441619E+03  0.131114E-08 0.100000E-04    0.910181E+00
  18   -0.392191E-06    0.429487E+03  0.913162E-09 0.100000E-04    0.932968E+00
  19   -0.163641E-06    0.421854E+03  0.387908E-09 0.100000E-04    0.685620E+00
  20   -0.353530E-06    0.407813E+03  0.866892E-09 0.100000E-04    0.924277E+00
  21   -0.408788E-06    0.396291E+03  0.103154E-08 0.100000E-04    0.920431E+00
  22   -0.624285E-06    0.387353E+03  0.161167E-08 0.100000E-04    0.992937E+00
  23    0.769499E-06    0.370068E+03 -0.207934E-08 0.100000E-04    0.924645E+00
  24   -0.419222E-06    0.360582E+03  0.116263E-08 0.100000E-04    0.980845E+00
  25   -0.974470E-07    0.349287E+03  0.278988E-09 0.100000E-04    0.329446E+00
  26   -0.619231E-07    0.335350E+03  0.184652E-09 0.100000E-04    0.227320E+02
  27    0.358271E-06    0.329374E+03 -0.108773E-08 0.100000E-04    0.890348E+00
  28   -0.378911E-06    0.321810E+03  0.117744E-08 0.100000E-04    0.895816E+00
  29   -0.685874E-07    0.319180E+03  0.214886E-09 0.100000E-04    0.478638E+00
  30   -0.134821E-05    0.309300E+03  0.435890E-08 0.100000E-04    0.960234E+00
  31   -0.102744E-05    0.300770E+03  0.341604E-08 0.100000E-04    0.956309E+00
  32   -0.122894E-05    0.290606E+03  0.422888E-08 0.100000E-04    0.969351E+00
  33   -0.179466E-07    0.279114E+03  0.642984E-10 0.100000E-04    0.257871E+00
  34   -0.512157E-07    0.272773E+03  0.187759E-09 0.100000E-04    0.158684E+02
  35    0.997707E-06    0.268558E+03 -0.371505E-08 0.100000E-04    0.969655E+00
  36    0.121660E-05    0.264980E+03 -0.459130E-08 0.100000E-04    0.985029E+00
  37   -0.482682E-06    0.263884E+03  0.182914E-08 0.100000E-04    0.898406E+00
  38   -0.132499E-06    0.253168E+03  0.523365E-09 0.100000E-04    0.966946E+00
  39   -0.444905E-06    0.241600E+03  0.184150E-08 0.100000E-04    0.891641E+00
  40   -0.120148E-05    0.240804E+03  0.498943E-08 0.100000E-04    0.986781E+00
  41   -0.972717E-06    0.234076E+03  0.415557E-08 0.100000E-04    0.988387E+00
  42   -0.165966E-05    0.227545E+03  0.729376E-08 0.100000E-04    0.963950E+00
  43    0.680802E-08    0.217193E+03 -0.313455E-10 0.100000E-04    0.570500E+00
  44   -0.189736E-05    0.214903E+03  0.882891E-08 0.100000E-04    0.969122E+00
  45    0.723033E-06    0.213237E+03 -0.339074E-08 0.100000E-04    0.982046E+00
  46    0.105228E-05    0.207716E+03 -0.506594E-08 0.100000E-04    0.985272E+00
  47   -0.721910E-06    0.202965E+03  0.355681E-08 0.100000E-04    0.966975E+00
  48   -0.117811E-05    0.195368E+03  0.603022E-08 0.100000E-04    0.926606E+00
  49    0.944245E-06    0.194871E+03 -0.484548E-08 0.100000E-04    0.948586E+00
  50    0.115364E-05    0.191400E+03 -0.602737E-08 0.100000E-04    0.876240E+00
  51    0.208228E-06    0.183019E+03 -0.113774E-08 0.100000E-04    0.862315E+00
  52   -0.592292E-06    0.174417E+03  0.339584E-08 0.100000E-04    0.928236E+00
  53    0.157505E-06    0.172357E+03 -0.913833E-09 0.100000E-04    0.828674E+00
  54   -0.219527E-06    0.168238E+03  0.130486E-08 0.100000E-04    0.931020E+00
  55    0.803440E-06    0.163196E+03 -0.492317E-08 0.100000E-04    0.991028E+00
  56   -0.132972E-05    0.156856E+03  0.847733E-08 0.100000E-04    0.973646E+00
  57   -0.326658E-06    0.154953E+03  0.210811E-08 0.100000E-04    0.833240E+00
  58    0.911098E-06    0.152241E+03 -0.598459E-08 0.100000E-04    0.998026E+00
  59   -0.610570E-06    0.146618E+03  0.416437E-08 0.100000E-04    0.998638E+00
  60    0.161598E-06    0.143315E+03 -0.112757E-08 0.100000E-04    0.730991E+00
  61   -0.811355E-06    0.138135E+03  0.587364E-08 0.100000E-04    0.815261E+00
  62    0.925637E-06    0.135873E+03 -0.681252E-08 0.100000E-04    0.969236E+00
  63   -0.202066E-05    0.130271E+03  0.155112E-07 0.100000E-04    0.916708E+00
  64    0.117801E-06    0.128857E+03 -0.914201E-09 0.100000E-04    0.508601E+00
  65   -0.118984E-05    0.126915E+03  0.937509E-08 0.100000E-04    0.883093E+00
  66    0.650248E-06    0.123984E+03 -0.524463E-08 0.100000E-04    0.887876E+00
  67    0.181558E-05    0.120026E+03 -0.151265E-07 0.100000E-04    0.961100E+00
  68    0.430097E-06    0.118178E+03 -0.363939E-08 0.100000E-04    0.931335E+00
  69   -0.139419E-08    0.116803E+03  0.119362E-10 0.109000E-04    0.249395E-01
  70    0.128083E-05    0.110383E+03 -0.116035E-07 0.100000E-04    0.944612E+00
  71   -0.684064E-06    0.106813E+03  0.640429E-08 0.100000E-04    0.911793E+00
  72    0.104479E-05    0.104471E+03 -0.100007E-07 0.100000E-04    0.831564E+00
  73   -0.112067E-06    0.102862E+03  0.108949E-08 0.100000E-04    0.731241E+00
  74   -0.768784E-07    0.995068E+02  0.772594E-09 0.100000E-04    0.259735E+00
  75    0.198116E-06    0.960741E+02 -0.206212E-08 0.100000E-04    0.148426E+01
  76    0.139076E-06    0.940850E+02 -0.147819E-08 0.100000E-04    0.844526E+00
  77   -0.156013E-05    0.919358E+02  0.169698E-07 0.100000E-04    0.956119E+00
  78   -0.759929E-06    0.912486E+02  0.832812E-08 0.100000E-04    0.966172E+00
  79    0.749756E-06    0.883777E+02 -0.848354E-08 0.100000E-04    0.981061E+00
  80   -0.549041E-06    0.856332E+02  0.641154E-08 0.100000E-04    0.915209E+00
  81   -0.126894E-05    0.808415E+02  0.156966E-07 0.100000E-04    0.993569E+00
  82    0.117418E-05    0.805563E+02 -0.145759E-07 0.100000E-04    0.928940E+00
  83   -0.232403E-06    0.779387E+02  0.298187E-08 0.100000E-04    0.622721E+00
  84    0.247839E-06    0.732681E+02 -0.338264E-08 0.100000E-04    0.536775E+00
  85    0.195514E-05    0.725098E+02 -0.269639E-07 0.100000E-04    0.887150E+00
  86   -0.474043E-06    0.678931E+02  0.698220E-08 0.100000E-04    0.832089E+00
  87    0.769768E-06    0.647174E+02 -0.118943E-07 0.100000E-04    0.782500E+00
  88   -0.100834E-05    0.613133E+02  0.164457E-07 0.100000E-04    0.946693E+00
  89   -0.189638E-05    0.598157E+02  0.317036E-07 0.100000E-04    0.945697E+00
  90    0.225972E-05    0.594081E+02 -0.380372E-07 0.100000E-04    0.974688E+00
  91   -0.260958E-05    0.581331E+02  0.448897E-07 0.100000E-04    0.915739E+00
  92   -0.357199E-05    0.558560E+02  0.639499E-07 0.100000E-04    0.946260E+00
  93   -0.326161E-05    0.524374E+02  0.622000E-07 0.100000E-04    0.981647E+00
  94   -0.653554E-06    0.519994E+02  0.125685E-07 0.100000E-04    0.795018E+00
  95    0.189616E-05    0.502889E+02 -0.377053E-07 0.100000E-04    0.884439E+00
  96   -0.110544E-05    0.461238E+02  0.239669E-07 0.100000E-04    0.917662E+00
  97    0.281900E-05    0.433869E+02 -0.649736E-07 0.100000E-04    0.879554E+00
  98    0.462106E-06    0.409255E+02 -0.112914E-07 0.100000E-04    0.639790E+00
  99    0.178162E-05    0.378644E+02 -0.470527E-07 0.100000E-04    0.803346E+00
 100    0.147762E-05    0.361798E+02 -0.408411E-07 0.100000E-04    0.887252E+00
 101   -0.105141E-04    0.322379E+02  0.326141E-06 0.100000E-04    0.937569E+00
 102    0.799615E-07    0.289289E+02 -0.276407E-08 0.100000E-04    0.218638E+00
 103    0.243533E-05    0.284576E+02 -0.855776E-07 0.100000E-04    0.959742E+00
 104    0.102433E-05    0.263222E+02 -0.389151E-07 0.100000E-04    0.419007E+00
 105    0.609920E-05    0.233248E+02 -0.261490E-06 0.100000E-04    0.926173E+00
 106    0.480996E-05    0.213468E+02 -0.225325E-06 0.100000E-04    0.964061E+00
 107   -0.205283E-04    0.198461E+02  0.103437E-05 0.100000E-04    0.918435E+00
 108    0.228893E-04    0.164475E+02 -0.139166E-05 0.100000E-04    0.928380E+00
 109    0.505760E-05    0.139135E+02 -0.363502E-06 0.100000E-04    0.956782E+00
 110    0.879320E-05    0.122450E+02 -0.718105E-06 0.100000E-04    0.847611E+00
 111    0.245106E-05    0.100848E+02 -0.243044E-06 0.100000E-04    0.786060E+00
 112   -0.296855E-01    0.918693E+01  0.100000E-04 0.100000E-04    0.552872E+00
 113    0.103457E+00    0.576140E+01 -0.212795E-04 0.212795E-04    0.149964E+00
 114    0.913920E+00    0.314440E+01  0.100000E-04 0.100000E-04    0.801002E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2127945828E-04    0.2695348159    

 Beginning of optimization cycle  688.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2989005374
 potential> RMS force:                                               0.0861893342   |gradient|=.9202502653    
 Eigenvalues of the Hessian matrix:
   746.98986    673.94826    630.92806    600.53832    586.32500    578.90243 
   564.57805    487.42389    460.50236    459.72808    441.61834    429.48852 
   421.85329    407.81139    396.29023    387.35129    370.06837    360.58169 
   349.28623    335.35049    329.37506    321.80971    319.18075    309.29896 
   300.76990    290.60627    279.11558    272.77343    268.55865    264.98011 
   263.88471    253.16750    241.60041    240.80474    234.07634    227.54574 
   217.19378    214.90339    213.23719    207.71642    202.96507    195.36704 
   194.87169    191.40006    183.01960    174.41762    172.35680    168.23840 
   163.19542    156.85605    154.95371    152.24048    146.61700    143.31475 
   138.13544    135.87290    130.27081    128.85689    126.91491    123.98238 
   120.02642    118.17821    116.80284    110.38283    106.81324    104.47160 
   102.86162     99.50676     96.07394     94.08473     91.93545     91.24880 
    88.37724     85.63354     80.84157     80.55697     77.93848     73.26784 
    72.50919     67.89275     64.71700     61.31284     59.81545     59.40818 
    58.13304     55.85574     52.43729     51.99899     50.28951     46.12334 
    43.38750     40.92563     37.86432     36.17939     32.23748     28.92924 
    28.45762     26.32251     23.32469     21.34702     19.84606     16.44737 
    13.91359     12.24504     10.08479      9.18845      5.76157      3.14408 
overlap for current and previous eigenvector    109 is         0.9999999884
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999500
overlap for current and previous eigenvector    112 is         0.9999999191
overlap for current and previous eigenvector    113 is         0.9999999380
overlap for current and previous eigenvector    114 is         0.9999999675
J1,K1,R1,R2,RAT=   7   7    0.4713389792E-02     1.995276570        0.9952765702    
FOB,PFOB,DIAG,PSTEP=   -0.1727881875E-06   -0.1736064665E-06     746.9898649        0.2324092283E-09
J1,K1,R1,R2,RAT=   8   8   -0.4075991494E-01     2.040764085        0.9592400851    
FOB,PFOB,DIAG,PSTEP=   -0.4148825895E-06   -0.3986343223E-06     673.9482620        0.5914897534E-09
J1,K1,R1,R2,RAT=   9   9   -0.4455538759E-01     2.044546251        0.9554446124    
FOB,PFOB,DIAG,PSTEP=   -0.7305285160E-06   -0.6993677715E-06     630.9280646        0.1108479723E-08
J1,K1,R1,R2,RAT=  10  10   -0.9327740034         2.932781313        0.6722599662E-01
FOB,PFOB,DIAG,PSTEP=   -0.4812192511E-07   -0.2489789800E-07     600.5383205        0.4145914781E-10
J1,K1,R1,R2,RAT=  11  11     4.964411320        -2.964409587         1.964409587    
FOB,PFOB,DIAG,PSTEP=    0.1099273847E-08   -0.2772858190E-09     586.3250039        0.4729212925E-12
J1,K1,R1,R2,RAT= 109 109   -0.3938695835E-01     2.039378390        0.9606130416    
FOB,PFOB,DIAG,PSTEP=    0.5256799922E-05    0.5057595755E-05     13.91359272       -0.3635019025E-06
J1,K1,R1,R2,RAT= 110 110   -0.1483802921         2.148376522        0.8516197079    
FOB,PFOB,DIAG,PSTEP=    0.1009794059E-04    0.8793200472E-05     12.24503537       -0.7181046670E-06
J1,K1,R1,R2,RAT= 111 111   -0.2743191622         2.274330680        0.7256808378    
FOB,PFOB,DIAG,PSTEP=    0.3123429926E-05    0.2451060841E-05     10.08478561       -0.2430440092E-06
J1,K1,R1,R2,RAT= 112 112    0.4191621472         645.7288483        0.5808378528    
FOB,PFOB,DIAG,PSTEP=   -0.2964696295E-01   -0.2968547743E-01     9.188445048        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7937612150         1688.473514        0.2062387850    
FOB,PFOB,DIAG,PSTEP=    0.1035546212        0.1034573037         5.761566029       -0.2127945828E-04
J1,K1,R1,R2,RAT= 114 114    0.1530361265        -58136.11982        0.8469638735    
FOB,PFOB,DIAG,PSTEP=    0.9139245304        0.9139197188         3.144076789        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002      0.00002 
     0.00001      0.00001      0.00000     -0.02965      0.10355      0.91392 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3806632344
 Log product of positive Hessian eigenvalues =          519.0775383677
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1440767889
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=        0.0000000087
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000070
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=        0.0000000166
 Unscaled step for mode   64=       -0.0000000016
 Unscaled step for mode   65=        0.0000000104
 Unscaled step for mode   66=       -0.0000000058
 Unscaled step for mode   67=       -0.0000000156
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=       -0.0000000088
 Unscaled step for mode   73=        0.0000000014
 Unscaled step for mode   74=        0.0000000004
 Unscaled step for mode   75=       -0.0000000008
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=       -0.0000000163
 Unscaled step for mode   78=       -0.0000000085
 Unscaled step for mode   79=       -0.0000000086
 Unscaled step for mode   80=        0.0000000069
 Unscaled step for mode   81=        0.0000000157
 Unscaled step for mode   82=       -0.0000000155
 Unscaled step for mode   83=        0.0000000023
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000299
 Unscaled step for mode   86=        0.0000000081
 Unscaled step for mode   87=       -0.0000000146
 Unscaled step for mode   88=        0.0000000156
 Unscaled step for mode   89=        0.0000000332
 Unscaled step for mode   90=       -0.0000000388
 Unscaled step for mode   91=        0.0000000479
 Unscaled step for mode   92=        0.0000000667
 Unscaled step for mode   93=        0.0000000629
 Unscaled step for mode   94=        0.0000000107
 Unscaled step for mode   95=       -0.0000000419
 Unscaled step for mode   96=        0.0000000255
 Unscaled step for mode   97=       -0.0000000722
 Unscaled step for mode   98=       -0.0000000168
 Unscaled step for mode   99=       -0.0000000567
 Unscaled step for mode  100=       -0.0000000451
 Unscaled step for mode  101=        0.0000003427
 Unscaled step for mode  102=       -0.0000000107
 Unscaled step for mode  103=       -0.0000000886
 Unscaled step for mode  104=       -0.0000000280
 Unscaled step for mode  105=       -0.0000002780
 Unscaled step for mode  106=       -0.0000002317
 Unscaled step for mode  107=        0.0000011070
 Unscaled step for mode  108=       -0.0000014765
 Unscaled step for mode  109=       -0.0000003778
 Unscaled step for mode  110=       -0.0000008247
 Unscaled step for mode  111=       -0.0000003097
 Unscaled step for mode  112=        0.0032265148
 Unscaled step for mode  113=       -0.0179675439
 Unscaled step for mode  114=        0.2695597428
 Largest modulus ratio of non-zero e/values=           237.5863934    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.132500E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.284207E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.105265E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.194452E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.826492E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.485781E-14    0.974323E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172788E-06    0.746990E+03  0.231313E-09 0.100000E-04    0.995277E+00
   8   -0.414883E-06    0.673948E+03  0.615600E-09 0.100000E-04    0.959240E+00
   9   -0.730529E-06    0.630928E+03  0.115786E-08 0.100000E-04    0.955445E+00
  10   -0.481219E-07    0.600538E+03  0.801313E-10 0.109000E-04    0.672260E-01
  11    0.109927E-08    0.586325E+03 -0.187485E-11 0.100000E-04    0.196441E+01
  12   -0.104639E-05    0.578902E+03  0.180754E-08 0.100000E-04    0.951737E+00
  13    0.451207E-07    0.564578E+03 -0.799193E-10 0.100000E-04    0.923800E+00
  14    0.436834E-06    0.487424E+03 -0.896210E-09 0.100000E-04    0.939034E+00
  15   -0.447347E-06    0.460502E+03  0.971432E-09 0.100000E-04    0.948389E+00
  16   -0.140876E-06    0.459728E+03  0.306433E-09 0.100000E-04    0.813734E+00
  17   -0.626746E-06    0.441618E+03  0.141920E-08 0.100000E-04    0.917579E+00
  18   -0.414790E-06    0.429489E+03  0.965778E-09 0.100000E-04    0.942378E+00
  19   -0.130782E-06    0.421853E+03  0.310018E-09 0.100000E-04    0.799202E+00
  20   -0.377121E-06    0.407811E+03  0.924743E-09 0.100000E-04    0.933270E+00
  21   -0.437883E-06    0.396290E+03  0.110495E-08 0.100000E-04    0.928826E+00
  22   -0.626409E-06    0.387351E+03  0.161716E-08 0.100000E-04    0.996597E+00
  23    0.821377E-06    0.370068E+03 -0.221953E-08 0.100000E-04    0.932582E+00
  24   -0.425462E-06    0.360582E+03  0.117993E-08 0.100000E-04    0.985116E+00
  25   -0.641434E-07    0.349286E+03  0.183641E-09 0.100000E-04    0.658238E+00
  26   -0.141469E-07    0.335350E+03  0.421855E-10 0.100000E-04    0.228457E+00
  27    0.393484E-06    0.329375E+03 -0.119464E-08 0.100000E-04    0.901713E+00
  28   -0.413900E-06    0.321810E+03  0.128616E-08 0.100000E-04    0.907658E+00
  29   -0.126636E-06    0.319181E+03  0.396753E-09 0.109000E-04    0.153656E+00
  30   -0.138851E-05    0.309299E+03  0.448921E-08 0.100000E-04    0.970110E+00
  31   -0.106507E-05    0.300770E+03  0.354115E-08 0.100000E-04    0.963377E+00
  32   -0.125837E-05    0.290606E+03  0.433015E-08 0.100000E-04    0.976053E+00
  33   -0.600870E-07    0.279116E+03  0.215276E-09 0.100000E-04    0.134809E+01
  34   -0.794681E-08    0.272773E+03  0.291334E-10 0.109000E-04    0.155162E+00
  35    0.102035E-05    0.268559E+03 -0.379935E-08 0.100000E-04    0.977307E+00
  36    0.123023E-05    0.264980E+03 -0.464272E-08 0.100000E-04    0.988801E+00
  37   -0.528176E-06    0.263885E+03  0.200154E-08 0.100000E-04    0.905747E+00
  38   -0.128620E-06    0.253167E+03  0.508044E-09 0.100000E-04    0.970724E+00
  39   -0.411113E-06    0.241600E+03  0.170163E-08 0.100000E-04    0.924044E+00
  40   -0.121275E-05    0.240805E+03  0.503624E-08 0.100000E-04    0.990617E+00
  41   -0.963893E-06    0.234076E+03  0.411786E-08 0.100000E-04    0.990921E+00
  42   -0.170495E-05    0.227546E+03  0.749277E-08 0.100000E-04    0.972714E+00
  43    0.646684E-08    0.217194E+03 -0.297745E-10 0.100000E-04    0.949878E+00
  44   -0.194496E-05    0.214903E+03  0.905040E-08 0.100000E-04    0.974913E+00
  45    0.710171E-06    0.213237E+03 -0.333043E-08 0.100000E-04    0.982211E+00
  46    0.106642E-05    0.207716E+03 -0.513401E-08 0.100000E-04    0.986561E+00
  47   -0.742530E-06    0.202965E+03  0.365841E-08 0.100000E-04    0.971436E+00
  48   -0.125082E-05    0.195367E+03  0.640240E-08 0.100000E-04    0.938284E+00
  49    0.987347E-06    0.194872E+03 -0.506665E-08 0.100000E-04    0.954353E+00
  50    0.128589E-05    0.191400E+03 -0.671835E-08 0.100000E-04    0.885358E+00
  51    0.234951E-06    0.183020E+03 -0.128375E-08 0.100000E-04    0.871666E+00
  52   -0.628199E-06    0.174418E+03  0.360169E-08 0.100000E-04    0.939377E+00
  53    0.139087E-06    0.172357E+03 -0.806971E-09 0.100000E-04    0.883061E+00
  54   -0.207090E-06    0.168238E+03  0.123093E-08 0.100000E-04    0.943342E+00
  55    0.793187E-06    0.163195E+03 -0.486035E-08 0.100000E-04    0.987239E+00
  56   -0.135876E-05    0.156856E+03  0.866245E-08 0.100000E-04    0.978164E+00
  57   -0.382556E-06    0.154954E+03  0.246884E-08 0.100000E-04    0.828880E+00
  58    0.906421E-06    0.152240E+03 -0.595388E-08 0.100000E-04    0.994867E+00
  59   -0.607753E-06    0.146617E+03  0.414517E-08 0.100000E-04    0.995386E+00
  60    0.212461E-06    0.143315E+03 -0.148248E-08 0.100000E-04    0.685255E+00
  61   -0.963449E-06    0.138135E+03  0.697467E-08 0.100000E-04    0.812544E+00
  62    0.947378E-06    0.135873E+03 -0.697253E-08 0.100000E-04    0.976513E+00
  63   -0.216834E-05    0.130271E+03  0.166449E-07 0.100000E-04    0.926914E+00
  64    0.209933E-06    0.128857E+03 -0.162919E-08 0.100000E-04    0.217902E+00
  65   -0.132134E-05    0.126915E+03  0.104112E-07 0.100000E-04    0.889478E+00
  66    0.720060E-06    0.123982E+03 -0.580776E-08 0.100000E-04    0.892637E+00
  67    0.187367E-05    0.120026E+03 -0.156105E-07 0.100000E-04    0.968004E+00
  68    0.456028E-06    0.118178E+03 -0.385882E-08 0.100000E-04    0.939707E+00
  69    0.496498E-07    0.116803E+03 -0.425073E-09 0.100000E-04    0.336122E+02
  70    0.134137E-05    0.110383E+03 -0.121520E-07 0.100000E-04    0.952731E+00
  71   -0.738729E-06    0.106813E+03  0.691608E-08 0.100000E-04    0.920086E+00
  72    0.920782E-06    0.104472E+03 -0.881371E-08 0.100000E-04    0.881308E+00
  73   -0.145380E-06    0.102862E+03  0.141336E-08 0.100000E-04    0.702737E+00
  74   -0.392599E-07    0.995068E+02  0.394545E-09 0.100000E-04    0.510675E+00
  75    0.786504E-07    0.960739E+02 -0.818645E-09 0.100000E-04    0.396990E+00
  76    0.158610E-06    0.940847E+02 -0.168582E-08 0.100000E-04    0.859543E+00
  77    0.150314E-05    0.919354E+02 -0.163500E-07 0.100000E-04    0.963473E+00
  78    0.778112E-06    0.912488E+02 -0.852737E-08 0.100000E-04    0.976073E+00
  79    0.758744E-06    0.883772E+02 -0.858528E-08 0.100000E-04    0.988013E+00
  80   -0.592305E-06    0.856335E+02  0.691675E-08 0.100000E-04    0.921200E+00
  81   -0.127262E-05    0.808416E+02  0.157421E-07 0.100000E-04    0.997100E+00
  82    0.124692E-05    0.805570E+02 -0.154788E-07 0.100000E-04    0.938049E+00
  83   -0.178949E-06    0.779385E+02  0.229602E-08 0.100000E-04    0.769993E+00
  84    0.423860E-06    0.732678E+02 -0.578508E-08 0.100000E-04    0.289776E+00
  85    0.216530E-05    0.725092E+02 -0.298624E-07 0.100000E-04    0.892513E+00
  86   -0.551223E-06    0.678928E+02  0.811902E-08 0.100000E-04    0.837188E+00
  87    0.941795E-06    0.647170E+02 -0.145525E-07 0.100000E-04    0.776520E+00
  88   -0.959307E-06    0.613128E+02  0.156461E-07 0.100000E-04    0.951376E+00
  89   -0.198713E-05    0.598155E+02  0.332211E-07 0.100000E-04    0.952142E+00
  90    0.230323E-05    0.594082E+02 -0.387696E-07 0.100000E-04    0.980743E+00
  91   -0.278599E-05    0.581330E+02  0.479244E-07 0.100000E-04    0.932397E+00
  92   -0.372824E-05    0.558557E+02  0.667477E-07 0.100000E-04    0.956255E+00
  93   -0.329998E-05    0.524373E+02  0.629320E-07 0.100000E-04    0.988234E+00
  94   -0.554350E-06    0.519990E+02  0.106608E-07 0.100000E-04    0.848207E+00
  95    0.210867E-05    0.502895E+02 -0.419307E-07 0.100000E-04    0.887925E+00
  96   -0.117417E-05    0.461233E+02  0.254572E-07 0.100000E-04    0.937827E+00
  97    0.313343E-05    0.433875E+02 -0.722197E-07 0.100000E-04    0.888463E+00
  98    0.686397E-06    0.409256E+02 -0.167718E-07 0.100000E-04    0.514637E+00
  99    0.214547E-05    0.378643E+02 -0.566621E-07 0.100000E-04    0.795777E+00
 100    0.163140E-05    0.361794E+02 -0.450919E-07 0.100000E-04    0.895929E+00
 101   -0.110464E-04    0.322375E+02  0.342659E-06 0.100000E-04    0.949365E+00
 102    0.308283E-06    0.289292E+02 -0.106565E-07 0.100000E-04    0.185536E+01
 103    0.252151E-05    0.284576E+02 -0.886059E-07 0.100000E-04    0.964611E+00
 104    0.738231E-06    0.263225E+02 -0.280456E-07 0.100000E-04    0.720676E+00
 105    0.648330E-05    0.233247E+02 -0.277959E-06 0.100000E-04    0.937025E+00
 106    0.494543E-05    0.213470E+02 -0.231668E-06 0.100000E-04    0.971835E+00
 107   -0.219697E-04    0.198461E+02  0.110701E-05 0.100000E-04    0.929782E+00
 108    0.242837E-04    0.164474E+02 -0.147645E-05 0.100000E-04    0.939077E+00
 109    0.525680E-05    0.139136E+02 -0.377818E-06 0.100000E-04    0.960613E+00
 110    0.100979E-04    0.122450E+02 -0.824656E-06 0.100000E-04    0.851620E+00
 111    0.312343E-05    0.100848E+02 -0.309717E-06 0.100000E-04    0.725681E+00
 112   -0.296470E-01    0.918845E+01  0.100000E-04 0.100000E-04    0.580838E+00
 113    0.103555E+00    0.576157E+01 -0.191707E-04 0.191707E-04    0.206239E+00
 114    0.913925E+00    0.314408E+01  0.100000E-04 0.100000E-04    0.846964E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1917068313E-04    0.2695597428    

 Beginning of optimization cycle  689.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988936783
 potential> RMS force:                                               0.0861908174   |gradient|=.9202661019    
 Eigenvalues of the Hessian matrix:
   746.99351    673.94708    630.93084    600.53610    586.32457    578.90250 
   564.57423    487.42360    460.50113    459.72757    441.61786    429.48967 
   421.85267    407.80987    396.28970    387.34993    370.06882    360.58183 
   349.28551    335.35109    329.37587    321.80950    319.18132    309.29786 
   300.76931    290.60633    279.11695    272.77387    268.55887    264.98041 
   263.88521    253.16690    241.60071    240.80504    234.07705    227.54600 
   217.19447    214.90353    213.23692    207.71688    202.96469    195.36627 
   194.87201    191.40050    183.02029    174.41830    172.35703    168.23866 
   163.19512    156.85583    154.95420    152.24032    146.61645    143.31438 
   138.13592    135.87289    130.27059    128.85708    126.91511    123.98134 
   120.02660    118.17834    116.80245    110.38306    106.81311    104.47182 
   102.86170     99.50670     96.07376     94.08453     91.93505     91.24899 
    88.37675     85.63381     80.84165     80.55759     77.93827     73.26767 
    72.50867     67.89248     64.71659     61.31242     59.81518     59.40827 
    58.13303     55.85554     52.43720     51.99865     50.29007     46.12295 
    43.38803     40.92574     37.86430     36.17911     32.23713     28.92956 
    28.45768     26.32278     23.32459     21.34728     19.84596     16.44728 
    13.91365     12.24506     10.08472      9.18987      5.76171      3.14377 
overlap for current and previous eigenvector    109 is         0.9999999899
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999579
overlap for current and previous eigenvector    112 is         0.9999999304
overlap for current and previous eigenvector    113 is         0.9999999453
overlap for current and previous eigenvector    114 is         0.9999999717
J1,K1,R1,R2,RAT=   7   7   -0.1202964108E-01     2.012019891        0.9879703589    
FOB,PFOB,DIAG,PSTEP=   -0.1748667775E-06   -0.1727881875E-06     746.9935067        0.2313126263E-09
J1,K1,R1,R2,RAT=   8   8    0.4696202444E-01     1.953041471        0.9530379756    
FOB,PFOB,DIAG,PSTEP=   -0.3953988973E-06   -0.4148825895E-06     673.9470839        0.6156000585E-09
J1,K1,R1,R2,RAT=   9   9    0.5176194112E-01     1.948229265        0.9482292650    
FOB,PFOB,DIAG,PSTEP=   -0.6927147757E-06   -0.7305285160E-06     630.9308388        0.1157863403E-08
J1,K1,R1,R2,RAT=  10  10    0.5599096480         1.440097739        0.4400903520    
FOB,PFOB,DIAG,PSTEP=   -0.2117809448E-07   -0.4812192511E-07     600.5361025        0.8013131463E-10
J1,K1,R1,R2,RAT=  11  11     2.560507460       -0.5605059798        0.4394940202    
FOB,PFOB,DIAG,PSTEP=   -0.1715422956E-08    0.1099273847E-08     586.3245701       -0.1874854116E-11
J1,K1,R1,R2,RAT= 109 109    0.4248522993E-01     1.957506357        0.9575063574    
FOB,PFOB,DIAG,PSTEP=    0.5033462629E-05    0.5256799922E-05     13.91365124       -0.3778175794E-06
J1,K1,R1,R2,RAT= 110 110    0.1537696138         1.846226593        0.8462265931    
FOB,PFOB,DIAG,PSTEP=    0.8545181217E-05    0.1009794059E-04     12.24505859       -0.8246558937E-06
J1,K1,R1,R2,RAT= 111 111    0.2111078499         1.788904266        0.7888921501    
FOB,PFOB,DIAG,PSTEP=    0.2464053344E-05    0.3123429926E-05     10.08472451       -0.3097170378E-06
J1,K1,R1,R2,RAT= 112 112    0.4531996732         644.7563660        0.5468003268    
FOB,PFOB,DIAG,PSTEP=   -0.2960531449E-01   -0.2964696295E-01     9.189870866        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8557550021         1875.894198        0.1442449979    
FOB,PFOB,DIAG,PSTEP=    0.1036491445        0.1035546212         5.761714237       -0.1917068313E-04
J1,K1,R1,R2,RAT= 114 114    0.2093488974        -58142.16734        0.7906511026    
FOB,PFOB,DIAG,PSTEP=    0.9139311119        0.9139245304         3.143769360        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002      0.00002 
     0.00001      0.00001      0.00000     -0.02961      0.10365      0.91393 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3806407844
 Log product of positive Hessian eigenvalues =          519.0775981385
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1437693603
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000059
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=        0.0000000084
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000042
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000057
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=        0.0000000153
 Unscaled step for mode   64=       -0.0000000008
 Unscaled step for mode   65=        0.0000000092
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=       -0.0000000150
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=       -0.0000000115
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=       -0.0000000102
 Unscaled step for mode   73=        0.0000000010
 Unscaled step for mode   74=        0.0000000008
 Unscaled step for mode   75=       -0.0000000023
 Unscaled step for mode   76=       -0.0000000014
 Unscaled step for mode   77=       -0.0000000171
 Unscaled step for mode   78=        0.0000000082
 Unscaled step for mode   79=       -0.0000000084
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=        0.0000000156
 Unscaled step for mode   82=       -0.0000000144
 Unscaled step for mode   83=        0.0000000031
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000265
 Unscaled step for mode   86=        0.0000000067
 Unscaled step for mode   87=       -0.0000000113
 Unscaled step for mode   88=        0.0000000165
 Unscaled step for mode   89=        0.0000000314
 Unscaled step for mode   90=       -0.0000000378
 Unscaled step for mode   91=        0.0000000439
 Unscaled step for mode   92=        0.0000000632
 Unscaled step for mode   93=        0.0000000618
 Unscaled step for mode   94=        0.0000000128
 Unscaled step for mode   95=       -0.0000000371
 Unscaled step for mode   96=        0.0000000233
 Unscaled step for mode   97=       -0.0000000635
 Unscaled step for mode   98=       -0.0000000105
 Unscaled step for mode   99=       -0.0000000453
 Unscaled step for mode  100=       -0.0000000400
 Unscaled step for mode  101=        0.0000003213
 Unscaled step for mode  102=       -0.0000000009
 Unscaled step for mode  103=       -0.0000000851
 Unscaled step for mode  104=       -0.0000000421
 Unscaled step for mode  105=       -0.0000002575
 Unscaled step for mode  106=       -0.0000002235
 Unscaled step for mode  107=        0.0000010168
 Unscaled step for mode  108=       -0.0000013710
 Unscaled step for mode  109=       -0.0000003618
 Unscaled step for mode  110=       -0.0000006978
 Unscaled step for mode  111=       -0.0000002443
 Unscaled step for mode  112=        0.0032214824
 Unscaled step for mode  113=       -0.0179834715
 Unscaled step for mode  114=        0.2695842095
 Largest modulus ratio of non-zero e/values=           237.6107854    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.104907E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.146497E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.439881E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.637511E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.595606E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.484575E-14    0.974324E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174867E-06    0.746994E+03  0.234094E-09 0.100000E-04    0.987970E+00
   8   -0.395399E-06    0.673947E+03  0.586691E-09 0.100000E-04    0.953038E+00
   9   -0.692715E-06    0.630931E+03  0.109793E-08 0.100000E-04    0.948229E+00
  10   -0.211781E-07    0.600536E+03  0.352653E-10 0.100000E-04    0.440090E+00
  11   -0.171542E-08    0.586325E+03  0.292572E-11 0.100000E-04    0.439494E+00
  12   -0.989038E-06    0.578903E+03  0.170847E-08 0.100000E-04    0.945192E+00
  13    0.492465E-07    0.564574E+03 -0.872277E-10 0.100000E-04    0.908560E+00
  14    0.407933E-06    0.487424E+03 -0.836917E-09 0.100000E-04    0.933840E+00
  15   -0.420761E-06    0.460501E+03  0.913702E-09 0.100000E-04    0.940570E+00
  16   -0.114435E-06    0.459728E+03  0.248919E-09 0.100000E-04    0.812309E+00
  17   -0.570632E-06    0.441618E+03  0.129214E-08 0.100000E-04    0.910468E+00
  18   -0.387134E-06    0.429490E+03  0.901381E-09 0.100000E-04    0.933319E+00
  19   -0.169279E-06    0.421853E+03  0.401276E-09 0.100000E-04    0.705638E+00
  20   -0.348703E-06    0.407810E+03  0.855063E-09 0.100000E-04    0.924646E+00
  21   -0.403179E-06    0.396290E+03  0.101739E-08 0.100000E-04    0.920747E+00
  22   -0.622107E-06    0.387350E+03  0.160606E-08 0.100000E-04    0.993131E+00
  23    0.759830E-06    0.370069E+03 -0.205321E-08 0.100000E-04    0.925067E+00
  24   -0.417473E-06    0.360582E+03  0.115778E-08 0.100000E-04    0.981223E+00
  25   -0.102599E-06    0.349286E+03  0.293740E-09 0.100000E-04    0.400473E+00
  26   -0.725983E-07    0.335351E+03  0.216485E-09 0.100000E-04    0.313173E+01
  27    0.350149E-06    0.329376E+03 -0.106307E-08 0.100000E-04    0.889864E+00
  28   -0.370608E-06    0.321809E+03  0.115164E-08 0.100000E-04    0.895405E+00
  29   -0.531671E-07    0.319181E+03  0.166573E-09 0.100000E-04    0.419839E+00
  30   -0.133370E-05    0.309298E+03  0.431203E-08 0.100000E-04    0.960530E+00
  31   -0.101902E-05    0.300769E+03  0.338806E-08 0.100000E-04    0.956766E+00
  32   -0.122027E-05    0.290606E+03  0.419904E-08 0.100000E-04    0.969721E+00
  33   -0.928368E-08    0.279117E+03  0.332609E-10 0.109000E-04    0.154498E+00
  34   -0.611599E-07    0.272774E+03  0.224215E-09 0.100000E-04    0.569614E+01
  35    0.989745E-06    0.268559E+03 -0.368539E-08 0.100000E-04    0.970005E+00
  36    0.121220E-05    0.264980E+03 -0.457466E-08 0.100000E-04    0.985340E+00
  37   -0.474574E-06    0.263885E+03  0.179841E-08 0.100000E-04    0.898511E+00
  38   -0.132825E-06    0.253167E+03  0.524652E-09 0.100000E-04    0.967311E+00
  39   -0.453905E-06    0.241601E+03  0.187874E-08 0.100000E-04    0.895914E+00
  40   -0.119702E-05    0.240805E+03  0.497090E-08 0.100000E-04    0.987023E+00
  41   -0.974972E-06    0.234077E+03  0.416518E-08 0.100000E-04    0.988505E+00
  42   -0.164409E-05    0.227546E+03  0.722532E-08 0.100000E-04    0.964305E+00
  43    0.844592E-08    0.217194E+03 -0.388864E-10 0.100000E-04    0.693966E+00
  44   -0.188575E-05    0.214904E+03  0.877488E-08 0.100000E-04    0.969557E+00
  45    0.722763E-06    0.213237E+03 -0.338948E-08 0.100000E-04    0.982269E+00
  46    0.105106E-05    0.207717E+03 -0.506005E-08 0.100000E-04    0.985591E+00
  47   -0.718380E-06    0.202965E+03  0.353943E-08 0.100000E-04    0.967476E+00
  48   -0.115915E-05    0.195366E+03  0.593323E-08 0.100000E-04    0.926716E+00
  49    0.937045E-06    0.194872E+03 -0.480852E-08 0.100000E-04    0.949050E+00
  50    0.112594E-05    0.191400E+03 -0.588265E-08 0.100000E-04    0.875607E+00
  51    0.202282E-06    0.183020E+03 -0.110525E-08 0.100000E-04    0.860947E+00
  52   -0.583221E-06    0.174418E+03  0.334380E-08 0.100000E-04    0.928394E+00
  53    0.161690E-06    0.172357E+03 -0.938112E-09 0.100000E-04    0.837488E+00
  54   -0.221022E-06    0.168239E+03  0.131374E-08 0.100000E-04    0.932724E+00
  55    0.800335E-06    0.163195E+03 -0.490416E-08 0.100000E-04    0.990989E+00
  56   -0.132351E-05    0.156856E+03  0.843775E-08 0.100000E-04    0.974059E+00
  57   -0.318360E-06    0.154954E+03  0.205454E-08 0.100000E-04    0.832185E+00
  58    0.908247E-06    0.152240E+03 -0.596588E-08 0.100000E-04    0.997986E+00
  59   -0.608655E-06    0.146616E+03  0.415134E-08 0.100000E-04    0.998515E+00
  60    0.154028E-06    0.143314E+03 -0.107476E-08 0.100000E-04    0.724971E+00
  61   -0.782847E-06    0.138136E+03  0.566722E-08 0.100000E-04    0.812539E+00
  62    0.918548E-06    0.135873E+03 -0.676035E-08 0.100000E-04    0.969569E+00
  63   -0.198796E-05    0.130271E+03  0.152603E-07 0.100000E-04    0.916813E+00
  64    0.979586E-07    0.128857E+03 -0.760211E-09 0.100000E-04    0.466616E+00
  65   -0.116671E-05    0.126915E+03  0.919288E-08 0.100000E-04    0.882975E+00
  66    0.639335E-06    0.123981E+03 -0.515670E-08 0.100000E-04    0.887890E+00
  67    0.180165E-05    0.120027E+03 -0.150104E-07 0.100000E-04    0.961557E+00
  68    0.424926E-06    0.118178E+03 -0.359563E-08 0.100000E-04    0.931795E+00
  69   -0.661835E-08    0.116802E+03  0.566628E-10 0.109000E-04    0.133298E+00
  70    0.126774E-05    0.110383E+03 -0.114849E-07 0.100000E-04    0.945100E+00
  71   -0.673591E-06    0.106813E+03  0.630626E-08 0.100000E-04    0.911823E+00
  72    0.106893E-05    0.104472E+03 -0.102318E-07 0.100000E-04    0.839107E+00
  73   -0.105012E-06    0.102862E+03  0.102090E-08 0.100000E-04    0.722325E+00
  74   -0.813243E-07    0.995067E+02  0.817275E-09 0.109000E-04    0.714339E-01
  75    0.217532E-06    0.960738E+02 -0.226422E-08 0.100000E-04    0.765811E+00
  76    0.133627E-06    0.940845E+02 -0.142028E-08 0.100000E-04    0.842487E+00
  77    0.156770E-05    0.919350E+02 -0.170523E-07 0.100000E-04    0.957051E+00
  78   -0.752021E-06    0.912490E+02  0.824141E-08 0.100000E-04    0.966464E+00
  79    0.744497E-06    0.883767E+02 -0.842413E-08 0.100000E-04    0.981224E+00
  80   -0.542242E-06    0.856338E+02  0.633211E-08 0.100000E-04    0.915471E+00
  81   -0.126464E-05    0.808417E+02  0.156435E-07 0.100000E-04    0.993734E+00
  82    0.115871E-05    0.805576E+02 -0.143836E-07 0.100000E-04    0.929240E+00
  83   -0.241709E-06    0.779383E+02  0.310129E-08 0.100000E-04    0.649279E+00
  84    0.213845E-06    0.732677E+02 -0.291867E-08 0.100000E-04    0.504515E+00
  85    0.192090E-05    0.725087E+02 -0.264920E-07 0.100000E-04    0.887129E+00
  86   -0.457334E-06    0.678925E+02  0.673614E-08 0.100000E-04    0.829671E+00
  87    0.731423E-06    0.647166E+02 -0.113019E-07 0.100000E-04    0.776625E+00
  88   -0.100980E-05    0.613124E+02  0.164697E-07 0.100000E-04    0.947370E+00
  89   -0.188055E-05    0.598152E+02  0.314394E-07 0.100000E-04    0.946365E+00
  90    0.224556E-05    0.594083E+02 -0.377988E-07 0.100000E-04    0.974956E+00
  91   -0.255048E-05    0.581330E+02  0.438731E-07 0.100000E-04    0.915466E+00
  92   -0.352893E-05    0.558555E+02  0.631796E-07 0.100000E-04    0.946539E+00
  93   -0.324024E-05    0.524372E+02  0.617927E-07 0.100000E-04    0.981895E+00
  94   -0.663815E-06    0.519987E+02  0.127660E-07 0.100000E-04    0.802532E+00
  95    0.186537E-05    0.502901E+02 -0.370922E-07 0.100000E-04    0.884598E+00
  96   -0.107691E-05    0.461230E+02  0.233487E-07 0.100000E-04    0.917167E+00
  97    0.275472E-05    0.433880E+02 -0.634902E-07 0.100000E-04    0.879114E+00
  98    0.430659E-06    0.409257E+02 -0.105229E-07 0.100000E-04    0.627415E+00
  99    0.171690E-05    0.378643E+02 -0.453436E-07 0.100000E-04    0.800246E+00
 100    0.144700E-05    0.361791E+02 -0.399954E-07 0.100000E-04    0.886966E+00
 101   -0.103590E-04    0.322371E+02  0.321339E-06 0.100000E-04    0.937771E+00
 102    0.272034E-07    0.289296E+02 -0.940334E-09 0.109000E-04    0.882295E-01
 103    0.242134E-05    0.284577E+02 -0.850858E-07 0.100000E-04    0.960270E+00
 104    0.110937E-05    0.263228E+02 -0.421449E-07 0.100000E-04    0.497264E+00
 105    0.600555E-05    0.233246E+02 -0.257477E-06 0.100000E-04    0.926310E+00
 106    0.477037E-05    0.213473E+02 -0.223465E-06 0.100000E-04    0.964577E+00
 107   -0.201786E-04    0.198460E+02  0.101676E-05 0.100000E-04    0.918472E+00
 108    0.225490E-04    0.164473E+02 -0.137099E-05 0.100000E-04    0.928564E+00
 109    0.503346E-05    0.139137E+02 -0.361764E-06 0.100000E-04    0.957506E+00
 110    0.854518E-05    0.122451E+02 -0.697847E-06 0.100000E-04    0.846227E+00
 111    0.246405E-05    0.100847E+02 -0.244335E-06 0.100000E-04    0.788892E+00
 112   -0.296053E-01    0.918987E+01  0.100000E-04 0.100000E-04    0.546800E+00
 113    0.103649E+00    0.576171E+01 -0.208960E-04 0.208960E-04    0.144245E+00
 114    0.913931E+00    0.314377E+01  0.100000E-04 0.100000E-04    0.790651E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2089604461E-04    0.2695842095    

 Beginning of optimization cycle  690.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988869990
 potential> RMS force:                                               0.0861921948   |gradient|=.9202808081    
 Eigenvalues of the Hessian matrix:
   746.99722    673.94571    630.93369    600.53391    586.32408    578.90257 
   564.57018    487.42320    460.49987    459.72705    441.61732    429.49096 
   421.85203    407.80827    396.28912    387.34853    370.06929    360.58200 
   349.28484    335.35173    329.37672    321.80922    319.18202    309.29672 
   300.76877    290.60640    279.11843    272.77433    268.55916    264.98072 
   263.88579    253.16634    241.60110    240.80535    234.07784    227.54633 
   217.19523    214.90366    213.23665    207.71737    202.96429    195.36549 
   194.87238    191.40094    183.02103    174.41904    172.35728    168.23893 
   163.19481    156.85562    154.95471    152.24013    146.61588    143.31398 
   138.13644    135.87288    130.27035    128.85728    126.91531    123.98022 
   120.02679    118.17846    116.80202    110.38331    106.81296    104.47202 
   102.86178     99.50663     96.07356     94.08429     91.93466     91.24920 
    88.37625     85.63411     80.84175     80.55826     77.93804     73.26745 
    72.50810     67.89217     64.71617     61.31201     59.81490     59.40836 
    58.13299     55.85530     52.43710     51.99828     50.29065     46.12253 
    43.38860     40.92585     37.86425     36.17874     32.23675     28.92989 
    28.45774     26.32307     23.32449     21.34752     19.84587     16.44718 
    13.91371     12.24508     10.08467      9.19137      5.76188      3.14345 
overlap for current and previous eigenvector    109 is        -0.9999999886
overlap for current and previous eigenvector    110 is        -0.9999999986
overlap for current and previous eigenvector    111 is        -0.9999999508
overlap for current and previous eigenvector    112 is        -0.9999999206
overlap for current and previous eigenvector    113 is         0.9999999396
overlap for current and previous eigenvector    114 is         0.9999999685
J1,K1,R1,R2,RAT=   7   7    0.4669502637E-02     1.995320547        0.9953205467    
FOB,PFOB,DIAG,PSTEP=   -0.1740502326E-06   -0.1748667775E-06     746.9972232        0.2340941065E-09
J1,K1,R1,R2,RAT=   8   8   -0.4036081735E-01     2.040364900        0.9596391827    
FOB,PFOB,DIAG,PSTEP=   -0.4113574874E-06   -0.3953988973E-06     673.9457081        0.5866913096E-09
J1,K1,R1,R2,RAT=   9   9   -0.4412533964E-01     2.044116290        0.9558746604    
FOB,PFOB,DIAG,PSTEP=   -0.7232811888E-06   -0.6927147757E-06     630.9336938        0.1097925055E-08
J1,K1,R1,R2,RAT=  10  10    -1.078131782         3.078139077        0.7813178173E-01
FOB,PFOB,DIAG,PSTEP=   -0.4401078792E-07   -0.2117809448E-07     600.5339119        0.3526531442E-10
J1,K1,R1,R2,RAT=  11  11    0.7721890023         1.227812682        0.2278109977    
FOB,PFOB,DIAG,PSTEP=   -0.3907933308E-09   -0.1715422956E-08     586.3240762        0.2925722446E-11
J1,K1,R1,R2,RAT= 109 109     2.038679491       -0.3868807270E-01    0.9613119273    
FOB,PFOB,DIAG,PSTEP=   -0.5228198433E-05    0.5033462629E-05     13.91371095       -0.3617643235E-06
J1,K1,R1,R2,RAT= 110 110     2.149958603       -0.1499624728        0.8500375272    
FOB,PFOB,DIAG,PSTEP=   -0.9826640202E-05    0.8545181217E-05     12.24508228       -0.6978473114E-06
J1,K1,R1,R2,RAT= 111 111     2.269269823       -0.2692583924        0.7307416076    
FOB,PFOB,DIAG,PSTEP=   -0.3127516595E-05    0.2464053344E-05     10.08466688       -0.2443352162E-06
J1,K1,R1,R2,RAT= 112 112     643.7720998        0.4257675797        0.5742324203    
FOB,PFOB,DIAG,PSTEP=    0.2956618060E-01   -0.2960531449E-01     9.191373019        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7989393190         1722.538926        0.2010606810    
FOB,PFOB,DIAG,PSTEP=    0.1037453371        0.1036491445         5.761878083       -0.2089604461E-04
J1,K1,R1,R2,RAT= 114 114    0.1641735525        -58148.42315        0.8358264475    
FOB,PFOB,DIAG,PSTEP=    0.9139362726        0.9139311119         3.143451336        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00000     -0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.02957      0.10375      0.91394 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3806197681
 Log product of positive Hessian eigenvalues =          519.0776620711
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1434513361
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=       -0.0000000008
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000048
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000024
 Unscaled step for mode   58=       -0.0000000059
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=       -0.0000000067
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=       -0.0000000164
 Unscaled step for mode   64=        0.0000000015
 Unscaled step for mode   65=        0.0000000102
 Unscaled step for mode   66=        0.0000000057
 Unscaled step for mode   67=       -0.0000000155
 Unscaled step for mode   68=        0.0000000038
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=       -0.0000000068
 Unscaled step for mode   72=        0.0000000091
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000010
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=        0.0000000084
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=       -0.0000000068
 Unscaled step for mode   81=        0.0000000157
 Unscaled step for mode   82=        0.0000000153
 Unscaled step for mode   83=       -0.0000000024
 Unscaled step for mode   84=       -0.0000000053
 Unscaled step for mode   85=       -0.0000000293
 Unscaled step for mode   86=       -0.0000000079
 Unscaled step for mode   87=       -0.0000000139
 Unscaled step for mode   88=        0.0000000157
 Unscaled step for mode   89=        0.0000000329
 Unscaled step for mode   90=       -0.0000000385
 Unscaled step for mode   91=        0.0000000468
 Unscaled step for mode   92=        0.0000000659
 Unscaled step for mode   93=       -0.0000000625
 Unscaled step for mode   94=       -0.0000000109
 Unscaled step for mode   95=       -0.0000000412
 Unscaled step for mode   96=        0.0000000248
 Unscaled step for mode   97=       -0.0000000706
 Unscaled step for mode   98=       -0.0000000159
 Unscaled step for mode   99=       -0.0000000548
 Unscaled step for mode  100=       -0.0000000442
 Unscaled step for mode  101=       -0.0000003376
 Unscaled step for mode  102=        0.0000000087
 Unscaled step for mode  103=        0.0000000881
 Unscaled step for mode  104=        0.0000000314
 Unscaled step for mode  105=        0.0000002737
 Unscaled step for mode  106=       -0.0000002297
 Unscaled step for mode  107=        0.0000010881
 Unscaled step for mode  108=        0.0000014543
 Unscaled step for mode  109=        0.0000003758
 Unscaled step for mode  110=        0.0000008025
 Unscaled step for mode  111=        0.0000003101
 Unscaled step for mode  112=       -0.0032166984
 Unscaled step for mode  113=       -0.0179996389
 Unscaled step for mode  114=        0.2696091034
 Largest modulus ratio of non-zero e/values=           237.6360068    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.466315E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.188239E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.131299E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.486156E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.602816E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.398379E-14    0.974324E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174050E-06    0.746997E+03  0.233000E-09 0.100000E-04    0.995321E+00
   8   -0.411357E-06    0.673946E+03  0.610372E-09 0.100000E-04    0.959639E+00
   9   -0.723281E-06    0.630934E+03  0.114637E-08 0.100000E-04    0.955875E+00
  10   -0.440108E-07    0.600534E+03  0.732861E-10 0.109000E-04    0.781318E-01
  11   -0.390793E-09    0.586324E+03  0.666514E-12 0.100000E-04    0.227811E+00
  12   -0.103631E-05    0.578903E+03  0.179013E-08 0.100000E-04    0.952202E+00
  13    0.455803E-07    0.564570E+03 -0.807346E-10 0.100000E-04    0.925554E+00
  14    0.432569E-06    0.487423E+03 -0.887460E-09 0.100000E-04    0.939608E+00
  15   -0.442320E-06    0.460500E+03  0.960521E-09 0.100000E-04    0.948762E+00
  16   -0.136163E-06    0.459727E+03  0.296182E-09 0.100000E-04    0.810127E+00
  17   -0.617496E-06    0.441617E+03  0.139826E-08 0.100000E-04    0.917874E+00
  18   -0.409316E-06    0.429491E+03  0.953025E-09 0.100000E-04    0.942702E+00
  19   -0.136967E-06    0.421852E+03  0.324680E-09 0.100000E-04    0.809119E+00
  20   -0.371848E-06    0.407808E+03  0.911822E-09 0.100000E-04    0.933624E+00
  21   -0.431754E-06    0.396289E+03  0.108949E-08 0.100000E-04    0.929127E+00
  22   -0.624149E-06    0.387349E+03  0.161134E-08 0.100000E-04    0.996717E+00
  23    0.810753E-06    0.370069E+03 -0.219081E-08 0.100000E-04    0.932981E+00
  24   -0.423560E-06    0.360582E+03  0.117466E-08 0.100000E-04    0.985420E+00
  25   -0.698628E-07    0.349285E+03  0.200017E-09 0.100000E-04    0.680930E+00
  26   -0.256039E-07    0.335352E+03  0.763493E-10 0.100000E-04    0.352676E+00
  27    0.384728E-06    0.329377E+03 -0.116805E-08 0.100000E-04    0.901245E+00
  28   -0.404975E-06    0.321809E+03  0.125843E-08 0.100000E-04    0.907268E+00
  29   -0.110242E-06    0.319182E+03  0.345388E-09 0.109000E-04    0.734921E-01
  30   -0.137326E-05    0.309297E+03  0.443994E-08 0.100000E-04    0.970340E+00
  31   -0.105594E-05    0.300769E+03  0.351082E-08 0.100000E-04    0.963769E+00
  32   -0.124913E-05    0.290606E+03  0.429835E-08 0.100000E-04    0.976347E+00
  33   -0.507295E-07    0.279118E+03  0.181749E-09 0.100000E-04    0.346434E+01
  34   -0.185975E-07    0.272774E+03  0.681790E-10 0.100000E-04    0.304078E+00
  35    0.101194E-05    0.268559E+03 -0.376804E-08 0.100000E-04    0.977573E+00
  36    0.122549E-05    0.264981E+03 -0.462483E-08 0.100000E-04    0.989032E+00
  37   -0.519256E-06    0.263886E+03  0.196773E-08 0.100000E-04    0.905849E+00
  38   -0.128978E-06    0.253166E+03  0.509461E-09 0.100000E-04    0.971043E+00
  39   -0.420669E-06    0.241601E+03  0.174117E-08 0.100000E-04    0.926775E+00
  40   -0.120803E-05    0.240805E+03  0.501664E-08 0.100000E-04    0.990796E+00
  41   -0.966226E-06    0.234078E+03  0.412780E-08 0.100000E-04    0.991022E+00
  42   -0.168849E-05    0.227546E+03  0.742043E-08 0.100000E-04    0.972995E+00
  43    0.812685E-08    0.217195E+03 -0.374173E-10 0.100000E-04    0.962215E+00
  44   -0.193239E-05    0.214904E+03  0.899188E-08 0.100000E-04    0.975270E+00
  45    0.710076E-06    0.213237E+03 -0.332999E-08 0.100000E-04    0.982447E+00
  46    0.106489E-05    0.207717E+03 -0.512664E-08 0.100000E-04    0.986837E+00
  47   -0.738589E-06    0.202964E+03  0.363901E-08 0.100000E-04    0.971868E+00
  48   -0.123057E-05    0.195365E+03  0.629879E-08 0.100000E-04    0.938391E+00
  49    0.979407E-06    0.194872E+03 -0.502589E-08 0.100000E-04    0.954792E+00
  50    0.125579E-05    0.191401E+03 -0.656102E-08 0.100000E-04    0.884680E+00
  51    0.228537E-06    0.183021E+03 -0.124869E-08 0.100000E-04    0.870207E+00
  52   -0.618494E-06    0.174419E+03  0.354602E-08 0.100000E-04    0.939520E+00
  53    0.143614E-06    0.172357E+03 -0.833236E-09 0.100000E-04    0.888204E+00
  54   -0.208798E-06    0.168239E+03  0.124108E-08 0.100000E-04    0.944690E+00
  55   -0.790161E-06    0.163195E+03  0.484183E-08 0.100000E-04    0.987288E+00
  56    0.135196E-05    0.156856E+03 -0.861911E-08 0.100000E-04    0.978508E+00
  57   -0.373250E-06    0.154955E+03  0.240877E-08 0.100000E-04    0.827585E+00
  58    0.903608E-06    0.152240E+03 -0.593541E-08 0.100000E-04    0.994892E+00
  59   -0.605824E-06    0.146616E+03  0.413205E-08 0.100000E-04    0.995349E+00
  60    0.203995E-06    0.143314E+03 -0.142341E-08 0.100000E-04    0.675599E+00
  61    0.932267E-06    0.138136E+03 -0.674889E-08 0.100000E-04    0.809132E+00
  62   -0.939873E-06    0.135873E+03  0.691729E-08 0.100000E-04    0.976785E+00
  63    0.213306E-05    0.130270E+03 -0.163741E-07 0.100000E-04    0.927014E+00
  64   -0.188573E-06    0.128857E+03  0.146343E-08 0.109000E-04    0.749720E-01
  65   -0.129583E-05    0.126915E+03  0.102102E-07 0.100000E-04    0.889337E+00
  66   -0.707969E-06    0.123980E+03  0.571034E-08 0.100000E-04    0.892647E+00
  67    0.185861E-05    0.120027E+03 -0.154850E-07 0.100000E-04    0.968384E+00
  68   -0.450362E-06    0.118178E+03  0.381086E-08 0.100000E-04    0.940142E+00
  69    0.435159E-07    0.116802E+03 -0.372561E-09 0.100000E-04    0.457506E+01
  70    0.132711E-05    0.110383E+03 -0.120228E-07 0.100000E-04    0.953162E+00
  71    0.727370E-06    0.106813E+03 -0.680975E-08 0.100000E-04    0.920161E+00
  72   -0.946994E-06    0.104472E+03  0.906457E-08 0.100000E-04    0.885923E+00
  73    0.137650E-06    0.102862E+03 -0.133820E-08 0.100000E-04    0.689197E+00
  74    0.443802E-07    0.995066E+02 -0.446002E-09 0.100000E-04    0.545718E+00
  75    0.100108E-06    0.960736E+02 -0.104199E-08 0.100000E-04    0.460196E+00
  76    0.152690E-06    0.940843E+02 -0.162290E-08 0.100000E-04    0.857341E+00
  77   -0.151164E-05    0.919347E+02  0.164426E-07 0.100000E-04    0.964242E+00
  78   -0.769827E-06    0.912492E+02  0.843654E-08 0.100000E-04    0.976322E+00
  79    0.753334E-06    0.883762E+02 -0.852417E-08 0.100000E-04    0.988131E+00
  80    0.584815E-06    0.856341E+02 -0.682923E-08 0.100000E-04    0.921488E+00
  81   -0.126819E-05    0.808417E+02  0.156874E-07 0.100000E-04    0.997193E+00
  82   -0.123018E-05    0.805583E+02  0.152707E-07 0.100000E-04    0.938318E+00
  83    0.189040E-06    0.779380E+02 -0.242552E-08 0.100000E-04    0.782097E+00
  84    0.386681E-06    0.732674E+02 -0.527766E-08 0.109000E-04    0.191763E+00
  85    0.212740E-05    0.725081E+02 -0.293401E-07 0.100000E-04    0.892498E+00
  86    0.533082E-06    0.678922E+02 -0.785190E-08 0.100000E-04    0.834368E+00
  87    0.900528E-06    0.647162E+02 -0.139150E-07 0.100000E-04    0.768798E+00
  88   -0.961355E-06    0.613120E+02  0.156797E-07 0.100000E-04    0.952028E+00
  89   -0.196943E-05    0.598149E+02  0.329255E-07 0.100000E-04    0.952737E+00
  90    0.228834E-05    0.594084E+02 -0.385189E-07 0.100000E-04    0.980948E+00
  91   -0.272351E-05    0.581330E+02  0.468496E-07 0.100000E-04    0.932158E+00
  92   -0.368244E-05    0.558553E+02  0.659282E-07 0.100000E-04    0.956499E+00
  93    0.327783E-05    0.524371E+02 -0.625097E-07 0.100000E-04    0.988399E+00
  94    0.566158E-06    0.519983E+02 -0.108880E-07 0.100000E-04    0.852884E+00
  95    0.207417E-05    0.502907E+02 -0.412437E-07 0.100000E-04    0.888066E+00
  96   -0.114427E-05    0.461225E+02  0.248093E-07 0.100000E-04    0.937455E+00
  97    0.306328E-05    0.433886E+02 -0.706010E-07 0.100000E-04    0.887989E+00
  98    0.651079E-06    0.409259E+02 -0.159088E-07 0.100000E-04    0.488180E+00
  99    0.207437E-05    0.378642E+02 -0.547843E-07 0.100000E-04    0.791797E+00
 100    0.159798E-05    0.361787E+02 -0.441691E-07 0.100000E-04    0.895653E+00
 101    0.108817E-04    0.322368E+02 -0.337557E-06 0.100000E-04    0.949542E+00
 102   -0.251778E-06    0.289299E+02  0.870306E-08 0.100000E-04    0.725530E+01
 103   -0.250591E-05    0.284577E+02  0.880572E-07 0.100000E-04    0.965075E+00
 104   -0.827345E-06    0.263231E+02  0.314304E-07 0.100000E-04    0.745759E+00
 105   -0.638299E-05    0.233245E+02  0.273660E-06 0.100000E-04    0.937151E+00
 106    0.490271E-05    0.213475E+02 -0.229662E-06 0.100000E-04    0.972258E+00
 107   -0.215949E-04    0.198459E+02  0.108813E-05 0.100000E-04    0.929814E+00
 108   -0.239189E-04    0.164472E+02  0.145429E-05 0.100000E-04    0.939247E+00
 109   -0.522820E-05    0.139137E+02  0.375759E-06 0.100000E-04    0.961312E+00
 110   -0.982664E-05    0.122451E+02  0.802497E-06 0.100000E-04    0.850038E+00
 111   -0.312752E-05    0.100847E+02  0.310126E-06 0.100000E-04    0.730742E+00
 112    0.295662E-01    0.919137E+01 -0.100000E-04 0.100000E-04    0.574232E+00
 113    0.103745E+00    0.576188E+01 -0.188253E-04 0.188253E-04    0.201061E+00
 114    0.913936E+00    0.314345E+01  0.100000E-04 0.100000E-04    0.835826E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1882526542E-04    0.2696091034    

 Beginning of optimization cycle  691.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988801067
 potential> RMS force:                                               0.0861936969   |gradient|=.9202968463    
 Eigenvalues of the Hessian matrix:
   747.00083    673.94456    630.93644    600.53170    586.32366    578.90264 
   564.56640    487.42292    460.49865    459.72655    441.61684    429.49209 
   421.85141    407.80677    396.28859    387.34716    370.06974    360.58213 
   349.28411    335.35231    329.37753    321.80902    319.18257    309.29562 
   300.76817    290.60646    279.11978    272.77476    268.55937    264.98101 
   263.88628    253.16574    241.60140    240.80565    234.07853    227.54658 
   217.19590    214.90380    213.23638    207.71783    202.96392    195.36472 
   194.87270    191.40137    183.02169    174.41972    172.35751    168.23918 
   163.19452    156.85541    154.95518    152.23996    146.61534    143.31362 
   138.13692    135.87287    130.27014    128.85747    126.91552    123.97919 
   120.02697    118.17859    116.80164    110.38353    106.81284    104.47224 
   102.86186     99.50657     96.07339     94.08409     91.93426     91.24939 
    88.37577     85.63438     80.84183     80.55887     77.93783     73.26728 
    72.50758     67.89191     64.71577     61.31160     59.81464     59.40846 
    58.13297     55.85511     52.43701     51.99795     50.29121     46.12214 
    43.38913     40.92597     37.86423     36.17847     32.23640     28.93021 
    28.45779     26.32334     23.32438     21.34778     19.84577     16.44708 
    13.91377     12.24511     10.08461      9.19278      5.76202      3.14315 
overlap for current and previous eigenvector    109 is         0.9999999901
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999585
overlap for current and previous eigenvector    112 is         0.9999999316
overlap for current and previous eigenvector    113 is         0.9999999466
overlap for current and previous eigenvector    114 is         0.9999999726
J1,K1,R1,R2,RAT=   7   7   -0.1182836790E-01     2.011818701        0.9881716321    
FOB,PFOB,DIAG,PSTEP=   -0.1761089727E-06   -0.1740502326E-06     747.0008338        0.2329998388E-09
J1,K1,R1,R2,RAT=   8   8    0.4650254436E-01     1.953500876        0.9534974556    
FOB,PFOB,DIAG,PSTEP=   -0.3922283503E-06   -0.4113574874E-06     673.9445554        0.6103718480E-09
J1,K1,R1,R2,RAT=   9   9    0.5127537385E-01     1.948715911        0.9487159115    
FOB,PFOB,DIAG,PSTEP=   -0.6861945138E-06   -0.7232811888E-06     630.9364430        0.1146366402E-08
J1,K1,R1,R2,RAT=  10  10    0.6020240271         1.397983345        0.3979759729    
FOB,PFOB,DIAG,PSTEP=   -0.1751533380E-07   -0.4401078792E-07     600.5316983        0.7328609933E-10
J1,K1,R1,R2,RAT=  11  11    -6.997707484         8.997708920         5.997707484    
FOB,PFOB,DIAG,PSTEP=   -0.3125448782E-08   -0.3907933308E-09     586.3236551        0.6665142140E-12
J1,K1,R1,R2,RAT= 109 109    0.4177349854E-01     1.958218073        0.9582180725    
FOB,PFOB,DIAG,PSTEP=   -0.5009797373E-05   -0.5228198433E-05     13.91376959        0.3757587356E-06
J1,K1,R1,R2,RAT= 110 110    0.1552042062         1.844791903        0.8447919034    
FOB,PFOB,DIAG,PSTEP=   -0.8301501343E-05   -0.9826640202E-05     12.24510610        0.8024968697E-06
J1,K1,R1,R2,RAT= 111 111    0.2083628637         1.791649162        0.7916371363    
FOB,PFOB,DIAG,PSTEP=   -0.2475862199E-05   -0.3127516595E-05     10.08460624        0.3101259201E-06
J1,K1,R1,R2,RAT= 112 112    0.4591563678         642.7883973        0.5408436322    
FOB,PFOB,DIAG,PSTEP=    0.2952397134E-01    0.2956618060E-01     9.192784467       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8616199122         1913.718642        0.1383800878    
FOB,PFOB,DIAG,PSTEP=    0.1038387984        0.1037453371         5.762022694       -0.1882526542E-04
J1,K1,R1,R2,RAT= 114 114    0.2195340884        -58154.46535        0.7804659116    
FOB,PFOB,DIAG,PSTEP=    0.9139431728        0.9139362726         3.143145474        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001     -0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00002 
    -0.00001     -0.00001     -0.00000      0.02952      0.10384      0.91394 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3805970970
 Log product of positive Hessian eigenvalues =          519.0777211453
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1431454739
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000008
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000003
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000042
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000087
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000057
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=       -0.0000000010
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000049
 Unscaled step for mode   56=       -0.0000000084
 Unscaled step for mode   57=       -0.0000000020
 Unscaled step for mode   58=       -0.0000000059
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000010
 Unscaled step for mode   61=        0.0000000055
 Unscaled step for mode   62=       -0.0000000067
 Unscaled step for mode   63=        0.0000000150
 Unscaled step for mode   64=       -0.0000000006
 Unscaled step for mode   65=        0.0000000090
 Unscaled step for mode   66=       -0.0000000051
 Unscaled step for mode   67=       -0.0000000149
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=       -0.0000000114
 Unscaled step for mode   71=        0.0000000062
 Unscaled step for mode   72=       -0.0000000105
 Unscaled step for mode   73=        0.0000000010
 Unscaled step for mode   74=        0.0000000009
 Unscaled step for mode   75=       -0.0000000025
 Unscaled step for mode   76=       -0.0000000014
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=       -0.0000000082
 Unscaled step for mode   79=       -0.0000000084
 Unscaled step for mode   80=        0.0000000063
 Unscaled step for mode   81=        0.0000000156
 Unscaled step for mode   82=       -0.0000000142
 Unscaled step for mode   83=        0.0000000032
 Unscaled step for mode   84=       -0.0000000025
 Unscaled step for mode   85=       -0.0000000260
 Unscaled step for mode   86=        0.0000000065
 Unscaled step for mode   87=       -0.0000000107
 Unscaled step for mode   88=        0.0000000165
 Unscaled step for mode   89=        0.0000000312
 Unscaled step for mode   90=        0.0000000376
 Unscaled step for mode   91=        0.0000000429
 Unscaled step for mode   92=        0.0000000624
 Unscaled step for mode   93=       -0.0000000614
 Unscaled step for mode   94=       -0.0000000130
 Unscaled step for mode   95=       -0.0000000365
 Unscaled step for mode   96=        0.0000000227
 Unscaled step for mode   97=       -0.0000000620
 Unscaled step for mode   98=       -0.0000000098
 Unscaled step for mode   99=       -0.0000000437
 Unscaled step for mode  100=       -0.0000000392
 Unscaled step for mode  101=        0.0000003166
 Unscaled step for mode  102=        0.0000000009
 Unscaled step for mode  103=       -0.0000000846
 Unscaled step for mode  104=       -0.0000000453
 Unscaled step for mode  105=       -0.0000002535
 Unscaled step for mode  106=       -0.0000002216
 Unscaled step for mode  107=        0.0000009995
 Unscaled step for mode  108=        0.0000013507
 Unscaled step for mode  109=        0.0000003601
 Unscaled step for mode  110=        0.0000006779
 Unscaled step for mode  111=        0.0000002455
 Unscaled step for mode  112=       -0.0032116131
 Unscaled step for mode  113=       -0.0180153919
 Unscaled step for mode  114=        0.2696335429
 Largest modulus ratio of non-zero e/values=           237.6602801    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.143505E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.168387E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.442802E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.300324E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.368487E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.482282E-14    0.974324E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.176109E-06    0.747001E+03  0.235755E-09 0.100000E-04    0.988172E+00
   8   -0.392228E-06    0.673945E+03  0.581989E-09 0.100000E-04    0.953497E+00
   9   -0.686195E-06    0.630936E+03  0.108758E-08 0.100000E-04    0.948716E+00
  10   -0.175153E-07    0.600532E+03  0.291664E-10 0.100000E-04    0.397976E+00
  11   -0.312545E-08    0.586324E+03  0.533059E-11 0.100000E-04    0.599771E+01
  12   -0.980045E-06    0.578903E+03  0.169294E-08 0.100000E-04    0.945704E+00
  13    0.496467E-07    0.564566E+03 -0.879378E-10 0.100000E-04    0.910786E+00
  14    0.404205E-06    0.487423E+03 -0.829270E-09 0.100000E-04    0.934430E+00
  15   -0.416215E-06    0.460499E+03  0.903836E-09 0.100000E-04    0.940983E+00
  16   -0.110187E-06    0.459727E+03  0.239680E-09 0.100000E-04    0.809231E+00
  17   -0.562389E-06    0.441617E+03  0.127348E-08 0.100000E-04    0.910758E+00
  18   -0.382168E-06    0.429492E+03  0.889814E-09 0.100000E-04    0.933671E+00
  19   -0.174830E-06    0.421851E+03  0.414436E-09 0.100000E-04    0.723558E+00
  20   -0.343966E-06    0.407807E+03  0.843454E-09 0.100000E-04    0.925017E+00
  21   -0.397673E-06    0.396289E+03  0.100349E-08 0.100000E-04    0.921065E+00
  22   -0.619979E-06    0.387347E+03  0.160058E-08 0.100000E-04    0.993320E+00
  23    0.750347E-06    0.370070E+03 -0.202758E-08 0.100000E-04    0.925492E+00
  24   -0.415763E-06    0.360582E+03  0.115303E-08 0.100000E-04    0.981592E+00
  25   -0.107670E-06    0.349284E+03  0.308259E-09 0.100000E-04    0.458835E+00
  26   -0.830989E-07    0.335352E+03  0.247796E-09 0.100000E-04    0.124556E+01
  27    0.342168E-06    0.329378E+03 -0.103883E-08 0.100000E-04    0.889370E+00
  28   -0.362446E-06    0.321809E+03  0.112628E-08 0.100000E-04    0.894984E+00
  29   -0.379961E-07    0.319183E+03  0.119042E-09 0.100000E-04    0.344659E+00
  30   -0.131947E-05    0.309296E+03  0.426604E-08 0.100000E-04    0.960829E+00
  31   -0.101077E-05    0.300768E+03  0.336064E-08 0.100000E-04    0.957222E+00
  32   -0.121177E-05    0.290606E+03  0.416979E-08 0.100000E-04    0.970089E+00
  33   -0.758549E-09    0.279120E+03  0.271765E-11 0.109000E-04    0.149479E-01
  34   -0.709522E-07    0.272775E+03  0.260113E-09 0.100000E-04    0.181515E+01
  35    0.981942E-06    0.268559E+03 -0.365633E-08 0.100000E-04    0.970353E+00
  36    0.120790E-05    0.264981E+03 -0.455846E-08 0.100000E-04    0.985647E+00
  37   -0.466615E-06    0.263886E+03  0.176824E-08 0.100000E-04    0.898620E+00
  38   -0.133147E-06    0.253166E+03  0.525926E-09 0.100000E-04    0.967683E+00
  39   -0.462764E-06    0.241601E+03  0.191540E-08 0.100000E-04    0.899932E+00
  40   -0.119265E-05    0.240806E+03  0.495274E-08 0.100000E-04    0.987261E+00
  41   -0.977215E-06    0.234079E+03  0.417473E-08 0.100000E-04    0.988626E+00
  42   -0.162883E-05    0.227547E+03  0.715821E-08 0.100000E-04    0.964661E+00
  43    0.100424E-07    0.217196E+03 -0.462367E-10 0.100000E-04    0.764290E+00
  44   -0.187440E-05    0.214904E+03  0.872202E-08 0.100000E-04    0.969988E+00
  45    0.722509E-06    0.213236E+03 -0.338830E-08 0.100000E-04    0.982491E+00
  46    0.104989E-05    0.207718E+03 -0.505438E-08 0.100000E-04    0.985903E+00
  47   -0.714933E-06    0.202964E+03  0.352246E-08 0.100000E-04    0.967971E+00
  48   -0.114052E-05    0.195365E+03  0.583792E-08 0.100000E-04    0.926828E+00
  49    0.929965E-06    0.194873E+03 -0.477216E-08 0.100000E-04    0.949515E+00
  50    0.109877E-05    0.191401E+03 -0.574064E-08 0.100000E-04    0.874959E+00
  51    0.196436E-06    0.183022E+03 -0.107330E-08 0.100000E-04    0.859530E+00
  52   -0.574311E-06    0.174420E+03  0.329269E-08 0.100000E-04    0.928555E+00
  53    0.165792E-06    0.172358E+03 -0.961908E-09 0.100000E-04    0.845574E+00
  54   -0.222501E-06    0.168239E+03  0.132253E-08 0.100000E-04    0.934372E+00
  55   -0.797310E-06    0.163195E+03  0.488564E-08 0.100000E-04    0.990952E+00
  56    0.131744E-05    0.156855E+03 -0.839905E-08 0.100000E-04    0.974467E+00
  57    0.310206E-06    0.154955E+03 -0.200191E-08 0.100000E-04    0.831090E+00
  58    0.905463E-06    0.152240E+03 -0.594761E-08 0.100000E-04    0.997946E+00
  59   -0.606796E-06    0.146615E+03  0.413869E-08 0.100000E-04    0.998396E+00
  60    0.146579E-06    0.143314E+03 -0.102279E-08 0.100000E-04    0.718544E+00
  61   -0.754853E-06    0.138137E+03  0.546453E-08 0.100000E-04    0.809690E+00
  62    0.911581E-06    0.135873E+03 -0.670907E-08 0.100000E-04    0.969898E+00
  63   -0.195585E-05    0.130270E+03  0.150138E-07 0.100000E-04    0.916922E+00
  64    0.784161E-07    0.128857E+03 -0.608549E-09 0.100000E-04    0.415837E+00
  65   -0.114403E-05    0.126916E+03  0.901413E-08 0.100000E-04    0.882856E+00
  66    0.628613E-06    0.123979E+03 -0.507031E-08 0.100000E-04    0.887908E+00
  67    0.178801E-05    0.120027E+03 -0.148968E-07 0.100000E-04    0.962014E+00
  68    0.419856E-06    0.118179E+03 -0.355272E-08 0.100000E-04    0.932261E+00
  69   -0.117508E-07    0.116802E+03  0.100605E-09 0.100000E-04    0.270033E+00
  70    0.125491E-05    0.110384E+03 -0.113686E-07 0.100000E-04    0.945588E+00
  71   -0.663255E-06    0.106813E+03  0.620950E-08 0.100000E-04    0.911854E+00
  72    0.109271E-05    0.104472E+03 -0.104593E-07 0.100000E-04    0.846128E+00
  73   -0.980844E-07    0.102862E+03  0.953555E-09 0.100000E-04    0.712563E+00
  74   -0.856682E-07    0.995066E+02  0.860930E-09 0.109000E-04    0.696745E-01
  75    0.236651E-06    0.960734E+02 -0.246324E-08 0.100000E-04    0.363973E+00
  76    0.128313E-06    0.940841E+02 -0.136381E-08 0.100000E-04    0.840353E+00
  77   -0.157520E-05    0.919343E+02  0.171339E-07 0.100000E-04    0.957958E+00
  78    0.744238E-06    0.912494E+02 -0.815609E-08 0.100000E-04    0.966755E+00
  79    0.739313E-06    0.883758E+02 -0.836556E-08 0.100000E-04    0.981388E+00
  80   -0.535540E-06    0.856344E+02  0.625380E-08 0.100000E-04    0.915737E+00
  81   -0.126046E-05    0.808418E+02  0.155916E-07 0.100000E-04    0.993897E+00
  82    0.114353E-05    0.805589E+02 -0.141949E-07 0.100000E-04    0.929545E+00
  83   -0.250907E-06    0.779378E+02  0.321933E-08 0.100000E-04    0.672730E+00
  84    0.180460E-06    0.732673E+02 -0.246304E-08 0.100000E-04    0.466689E+00
  85    0.188723E-05    0.725076E+02 -0.260281E-07 0.100000E-04    0.887108E+00
  86   -0.440929E-06    0.678919E+02  0.649457E-08 0.100000E-04    0.827131E+00
  87    0.693694E-06    0.647158E+02 -0.107191E-07 0.100000E-04    0.770317E+00
  88   -0.101130E-05    0.613116E+02  0.164944E-07 0.100000E-04    0.948048E+00
  89   -0.186511E-05    0.598146E+02  0.311815E-07 0.100000E-04    0.947030E+00
  90   -0.223165E-05    0.594085E+02  0.375645E-07 0.100000E-04    0.975222E+00
  91   -0.249252E-05    0.581330E+02  0.428762E-07 0.100000E-04    0.915189E+00
  92   -0.348662E-05    0.558551E+02  0.624226E-07 0.100000E-04    0.946823E+00
  93    0.321929E-05    0.524370E+02 -0.613935E-07 0.100000E-04    0.982142E+00
  94    0.673937E-06    0.519980E+02 -0.129608E-07 0.100000E-04    0.809631E+00
  95    0.183519E-05    0.502912E+02 -0.364914E-07 0.100000E-04    0.884763E+00
  96   -0.104891E-05    0.461221E+02  0.227420E-07 0.100000E-04    0.916663E+00
  97    0.269166E-05    0.433891E+02 -0.620353E-07 0.100000E-04    0.878663E+00
  98    0.399691E-06    0.409260E+02 -0.976620E-08 0.100000E-04    0.613885E+00
  99    0.165325E-05    0.378642E+02 -0.436625E-07 0.100000E-04    0.796988E+00
 100    0.141689E-05    0.361785E+02 -0.391640E-07 0.100000E-04    0.886675E+00
 101   -0.102068E-04    0.322364E+02  0.316625E-06 0.100000E-04    0.937978E+00
 102   -0.247044E-07    0.289302E+02  0.853930E-09 0.109000E-04    0.981073E-01
 103    0.240767E-05    0.284578E+02 -0.846050E-07 0.100000E-04    0.960794E+00
 104    0.119321E-05    0.263233E+02 -0.453292E-07 0.100000E-04    0.557782E+00
 105    0.591354E-05    0.233244E+02 -0.253535E-06 0.100000E-04    0.926453E+00
 106    0.473167E-05    0.213478E+02 -0.221647E-06 0.100000E-04    0.965089E+00
 107   -0.198352E-04    0.198458E+02  0.999467E-06 0.100000E-04    0.918515E+00
 108   -0.222148E-04    0.164471E+02  0.135068E-05 0.100000E-04    0.928753E+00
 109   -0.500980E-05    0.139138E+02  0.360060E-06 0.100000E-04    0.958218E+00
 110   -0.830150E-05    0.122451E+02  0.677944E-06 0.100000E-04    0.844792E+00
 111   -0.247586E-05    0.100846E+02  0.245509E-06 0.100000E-04    0.791637E+00
 112    0.295240E-01    0.919278E+01 -0.100000E-04 0.100000E-04    0.540844E+00
 113    0.103839E+00    0.576202E+01 -0.205195E-04 0.205195E-04    0.138380E+00
 114    0.913943E+00    0.314315E+01  0.100000E-04 0.100000E-04    0.780466E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2051953931E-04    0.2696335429    

 Beginning of optimization cycle  692.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988733915
 potential> RMS force:                                               0.0861950949   |gradient|=.9203117727    
 Eigenvalues of the Hessian matrix:
   747.00452    673.94321    630.93927    600.52951    586.32318    578.90270 
   564.56240    487.42255    460.49739    459.72603    441.61632    429.49335 
   421.85077    407.80518    396.28802    387.34577    370.07020    360.58230 
   349.28343    335.35294    329.37838    321.80876    319.18324    309.29449 
   300.76762    290.60653    279.12124    272.77522    268.55965    264.98132 
   263.88685    253.16518    241.60178    240.80595    234.07931    227.54689 
   217.19665    214.90394    213.23612    207.71832    202.96352    195.36394 
   194.87306    191.40182    183.02242    174.42044    172.35776    168.23945 
   163.19421    156.85520    154.95569    152.23978    146.61478    143.31323 
   138.13742    135.87287    130.26990    128.85767    126.91572    123.97809 
   120.02715    118.17871    116.80122    110.38377    106.81269    104.47245 
   102.86194     99.50651     96.07320     94.08386     91.93387     91.24959 
    88.37527     85.63467     80.84193     80.55952     77.93762     73.26707 
    72.50702     67.89160     64.71535     61.31119     59.81436     59.40854 
    58.13294     55.85488     52.43691     51.99759     50.29178     46.12173 
    43.38968     40.92608     37.86419     36.17812     32.23603     28.93054 
    28.45785     26.32363     23.32429     21.34802     19.84568     16.44698 
    13.91383     12.24513     10.08455      9.19427      5.76218      3.14283 
overlap for current and previous eigenvector    109 is         0.9999999889
overlap for current and previous eigenvector    110 is        -0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999515
overlap for current and previous eigenvector    112 is        -0.9999999220
overlap for current and previous eigenvector    113 is         0.9999999412
overlap for current and previous eigenvector    114 is         0.9999999694
J1,K1,R1,R2,RAT=   7   7    0.4625124542E-02     1.995365012        0.9953650124    
FOB,PFOB,DIAG,PSTEP=   -0.1752944428E-06   -0.1761089727E-06     747.0045177        0.2357547204E-09
J1,K1,R1,R2,RAT=   8   8   -0.3996172682E-01     2.039965724        0.9600382732    
FOB,PFOB,DIAG,PSTEP=   -0.4079024411E-06   -0.3922283503E-06     673.9432084        0.5819890481E-09
J1,K1,R1,R2,RAT=   9   9   -0.4369576915E-01     2.043686804        0.9563042308    
FOB,PFOB,DIAG,PSTEP=   -0.7161784453E-06   -0.6861945138E-06     630.9392714        0.1087581041E-08
J1,K1,R1,R2,RAT=  10  10    -1.281598452         3.281605733        0.2815984517    
FOB,PFOB,DIAG,PSTEP=   -0.3996287675E-07   -0.1751533380E-07     600.5295119        0.2916637681E-10
J1,K1,R1,R2,RAT=  11  11    0.4077962086         1.592205429        0.5922037914    
FOB,PFOB,DIAG,PSTEP=   -0.1850903662E-08   -0.3125448782E-08     586.3231751        0.5330586196E-11
J1,K1,R1,R2,RAT= 109 109   -0.3799786469E-01     2.037989269        0.9620021353    
FOB,PFOB,DIAG,PSTEP=   -0.5200159794E-05   -0.5009797373E-05     13.91382938        0.3600603950E-06
J1,K1,R1,R2,RAT= 110 110     2.151605750       -0.1516097175        0.8483902825    
FOB,PFOB,DIAG,PSTEP=    0.9560092114E-05   -0.8301501343E-05     12.24513039        0.6779444191E-06
J1,K1,R1,R2,RAT= 111 111     2.264394523       -0.2643831771        0.7356168229    
FOB,PFOB,DIAG,PSTEP=    0.3130434800E-05   -0.2475862199E-05     10.08454903        0.2455090601E-06
J1,K1,R1,R2,RAT= 112 112     641.7931543        0.4322475540        0.5677524460    
FOB,PFOB,DIAG,PSTEP=   -0.2948422933E-01    0.2952397134E-01     9.194270816       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8042532312         1757.251147        0.1957467688    
FOB,PFOB,DIAG,PSTEP=    0.1039338912        0.1038387984         5.762182647       -0.2051953931E-04
J1,K1,R1,R2,RAT= 114 114    0.1751321011        -58160.71261        0.8248678989    
FOB,PFOB,DIAG,PSTEP=    0.9139486769        0.9139431728         3.142829184        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00001      0.00001      0.00000     -0.02948      0.10393      0.91395 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3805758358
 Log product of positive Hessian eigenvalues =          519.0777842917
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1428291844
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000064
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=       -0.0000000023
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=       -0.0000000065
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=       -0.0000000161
 Unscaled step for mode   64=        0.0000000013
 Unscaled step for mode   65=        0.0000000100
 Unscaled step for mode   66=       -0.0000000056
 Unscaled step for mode   67=        0.0000000154
 Unscaled step for mode   68=        0.0000000038
 Unscaled step for mode   69=       -0.0000000003
 Unscaled step for mode   70=       -0.0000000119
 Unscaled step for mode   71=       -0.0000000067
 Unscaled step for mode   72=        0.0000000093
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=       -0.0000000013
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000165
 Unscaled step for mode   78=        0.0000000083
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=       -0.0000000067
 Unscaled step for mode   81=       -0.0000000156
 Unscaled step for mode   82=       -0.0000000151
 Unscaled step for mode   83=       -0.0000000026
 Unscaled step for mode   84=        0.0000000048
 Unscaled step for mode   85=       -0.0000000288
 Unscaled step for mode   86=       -0.0000000076
 Unscaled step for mode   87=        0.0000000133
 Unscaled step for mode   88=       -0.0000000157
 Unscaled step for mode   89=       -0.0000000326
 Unscaled step for mode   90=        0.0000000383
 Unscaled step for mode   91=       -0.0000000458
 Unscaled step for mode   92=       -0.0000000651
 Unscaled step for mode   93=        0.0000000621
 Unscaled step for mode   94=        0.0000000111
 Unscaled step for mode   95=        0.0000000406
 Unscaled step for mode   96=        0.0000000242
 Unscaled step for mode   97=        0.0000000690
 Unscaled step for mode   98=       -0.0000000151
 Unscaled step for mode   99=        0.0000000529
 Unscaled step for mode  100=        0.0000000433
 Unscaled step for mode  101=       -0.0000003325
 Unscaled step for mode  102=       -0.0000000068
 Unscaled step for mode  103=       -0.0000000875
 Unscaled step for mode  104=       -0.0000000348
 Unscaled step for mode  105=       -0.0000002694
 Unscaled step for mode  106=        0.0000002277
 Unscaled step for mode  107=       -0.0000010696
 Unscaled step for mode  108=        0.0000014325
 Unscaled step for mode  109=        0.0000003737
 Unscaled step for mode  110=       -0.0000007807
 Unscaled step for mode  111=       -0.0000003104
 Unscaled step for mode  112=        0.0032067716
 Unscaled step for mode  113=       -0.0180313790
 Unscaled step for mode  114=        0.2696584036
 Largest modulus ratio of non-zero e/values=           237.6853700    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.935016E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.248168E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.473736E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.532669E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.130592E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.529154E-14    0.974325E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175294E-06    0.747005E+03  0.234663E-09 0.100000E-04    0.995365E+00
   8   -0.407902E-06    0.673943E+03  0.605247E-09 0.100000E-04    0.960038E+00
   9   -0.716178E-06    0.630939E+03  0.113510E-08 0.100000E-04    0.956304E+00
  10   -0.399629E-07    0.600530E+03  0.665461E-10 0.100000E-04    0.281598E+00
  11   -0.185090E-08    0.586323E+03  0.315680E-11 0.100000E-04    0.592204E+00
  12   -0.102643E-05    0.578903E+03  0.177307E-08 0.100000E-04    0.952667E+00
  13    0.460355E-07    0.564562E+03 -0.815420E-10 0.100000E-04    0.927262E+00
  14    0.428384E-06    0.487423E+03 -0.878876E-09 0.100000E-04    0.940182E+00
  15   -0.437386E-06    0.460497E+03  0.949811E-09 0.100000E-04    0.949137E+00
  16   -0.131530E-06    0.459726E+03  0.286106E-09 0.100000E-04    0.806302E+00
  17   -0.608409E-06    0.441616E+03  0.137769E-08 0.100000E-04    0.918171E+00
  18   -0.403941E-06    0.429493E+03  0.940505E-09 0.100000E-04    0.943029E+00
  19   -0.143056E-06    0.421851E+03  0.339115E-09 0.100000E-04    0.818255E+00
  20   -0.366674E-06    0.407805E+03  0.899141E-09 0.100000E-04    0.933982E+00
  21   -0.425737E-06    0.396288E+03  0.107431E-08 0.100000E-04    0.929431E+00
  22   -0.621942E-06    0.387346E+03  0.160565E-08 0.100000E-04    0.996834E+00
  23    0.800333E-06    0.370070E+03 -0.216265E-08 0.100000E-04    0.933384E+00
  24   -0.421701E-06    0.360582E+03  0.116950E-08 0.100000E-04    0.985718E+00
  25   -0.754923E-07    0.349283E+03  0.216135E-09 0.100000E-04    0.701145E+00
  26   -0.368742E-07    0.335353E+03  0.109956E-09 0.100000E-04    0.443736E+00
  27    0.376124E-06    0.329378E+03 -0.114192E-08 0.100000E-04    0.900761E+00
  28   -0.396202E-06    0.321809E+03  0.123117E-08 0.100000E-04    0.906866E+00
  29   -0.941123E-07    0.319183E+03  0.294854E-09 0.100000E-04    0.476894E+00
  30   -0.135830E-05    0.309294E+03  0.439160E-08 0.100000E-04    0.970571E+00
  31   -0.104700E-05    0.300768E+03  0.348109E-08 0.100000E-04    0.964159E+00
  32   -0.124007E-05    0.290607E+03  0.426719E-08 0.100000E-04    0.976640E+00
  33   -0.415203E-07    0.279121E+03  0.148753E-09 0.100000E-04    0.527361E+02
  34   -0.290857E-07    0.272775E+03  0.106629E-09 0.100000E-04    0.409932E+00
  35    0.100371E-05    0.268560E+03 -0.373737E-08 0.100000E-04    0.977837E+00
  36    0.122088E-05    0.264981E+03 -0.460742E-08 0.100000E-04    0.989258E+00
  37   -0.510498E-06    0.263887E+03  0.193454E-08 0.100000E-04    0.905955E+00
  38   -0.129333E-06    0.253165E+03  0.510866E-09 0.100000E-04    0.971361E+00
  39   -0.430076E-06    0.241602E+03  0.178010E-08 0.100000E-04    0.929360E+00
  40   -0.120341E-05    0.240806E+03  0.499744E-08 0.100000E-04    0.990973E+00
  41   -0.968547E-06    0.234079E+03  0.413769E-08 0.100000E-04    0.991123E+00
  42   -0.167235E-05    0.227547E+03  0.734949E-08 0.100000E-04    0.973276E+00
  43    0.974419E-08    0.217197E+03 -0.448635E-10 0.100000E-04    0.970295E+00
  44   -0.192009E-05    0.214904E+03  0.893462E-08 0.100000E-04    0.975624E+00
  45    0.709996E-06    0.213236E+03 -0.332962E-08 0.100000E-04    0.982682E+00
  46    0.106342E-05    0.207718E+03 -0.511953E-08 0.100000E-04    0.987108E+00
  47   -0.734740E-06    0.202964E+03  0.362006E-08 0.100000E-04    0.972295E+00
  48   -0.121067E-05    0.195364E+03  0.619698E-08 0.100000E-04    0.938499E+00
  49    0.971599E-06    0.194873E+03 -0.498581E-08 0.100000E-04    0.955230E+00
  50    0.122624E-05    0.191402E+03 -0.640663E-08 0.100000E-04    0.883984E+00
  51    0.222231E-06    0.183022E+03 -0.121423E-08 0.100000E-04    0.868686E+00
  52   -0.608962E-06    0.174420E+03  0.349135E-08 0.100000E-04    0.939664E+00
  53   -0.148052E-06    0.172358E+03  0.858981E-09 0.100000E-04    0.892995E+00
  54    0.210487E-06    0.168239E+03 -0.125112E-08 0.100000E-04    0.946001E+00
  55    0.787217E-06    0.163194E+03 -0.482380E-08 0.100000E-04    0.987341E+00
  56    0.134530E-05    0.156855E+03 -0.857672E-08 0.100000E-04    0.978847E+00
  57    0.364106E-06    0.154956E+03 -0.234975E-08 0.100000E-04    0.826245E+00
  58   -0.900864E-06    0.152240E+03  0.591740E-08 0.100000E-04    0.994920E+00
  59    0.603954E-06    0.146615E+03 -0.411933E-08 0.100000E-04    0.995316E+00
  60   -0.195665E-06    0.143313E+03  0.136529E-08 0.100000E-04    0.665127E+00
  61    0.901646E-06    0.138137E+03 -0.652717E-08 0.100000E-04    0.805535E+00
  62   -0.932497E-06    0.135873E+03  0.686301E-08 0.100000E-04    0.977055E+00
  63    0.209840E-05    0.130270E+03 -0.161081E-07 0.100000E-04    0.927116E+00
  64   -0.167537E-06    0.128858E+03  0.130017E-08 0.109000E-04    0.136509E+00
  65   -0.127080E-05    0.126916E+03  0.100129E-07 0.100000E-04    0.889195E+00
  66    0.696088E-06    0.123978E+03 -0.561460E-08 0.100000E-04    0.892660E+00
  67   -0.184387E-05    0.120027E+03  0.153621E-07 0.100000E-04    0.968763E+00
  68   -0.444803E-06    0.118179E+03  0.376382E-08 0.100000E-04    0.940581E+00
  69    0.374892E-07    0.116801E+03 -0.320965E-09 0.100000E-04    0.119035E+01
  70    0.131314E-05    0.110384E+03 -0.118962E-07 0.100000E-04    0.953594E+00
  71    0.716160E-06    0.106813E+03 -0.670482E-08 0.100000E-04    0.920233E+00
  72   -0.972808E-06    0.104472E+03  0.931163E-08 0.100000E-04    0.890268E+00
  73    0.130062E-06    0.102862E+03 -0.126443E-08 0.100000E-04    0.673982E+00
  74    0.493869E-07    0.995065E+02 -0.496318E-09 0.100000E-04    0.576490E+00
  75    0.121236E-06    0.960732E+02 -0.126191E-08 0.100000E-04    0.512295E+00
  76    0.146916E-06    0.940839E+02 -0.156154E-08 0.100000E-04    0.855020E+00
  77   -0.152005E-05    0.919339E+02  0.165342E-07 0.100000E-04    0.964993E+00
  78   -0.761675E-06    0.912496E+02  0.834716E-08 0.100000E-04    0.976570E+00
  79    0.748001E-06    0.883753E+02 -0.846391E-08 0.100000E-04    0.988249E+00
  80    0.577431E-06    0.856347E+02 -0.674296E-08 0.100000E-04    0.921778E+00
  81    0.126388E-05    0.808419E+02 -0.156340E-07 0.100000E-04    0.997283E+00
  82    0.121375E-05    0.805595E+02 -0.150665E-07 0.100000E-04    0.938590E+00
  83    0.199014E-06    0.779376E+02 -0.255350E-08 0.100000E-04    0.793174E+00
  84   -0.350170E-06    0.732671E+02  0.477936E-08 0.109000E-04    0.595714E-01
  85    0.209014E-05    0.725070E+02 -0.288267E-07 0.100000E-04    0.892483E+00
  86    0.515274E-06    0.678916E+02 -0.758965E-08 0.100000E-04    0.831391E+00
  87   -0.859924E-06    0.647153E+02  0.132878E-07 0.100000E-04    0.760368E+00
  88    0.963444E-06    0.613112E+02 -0.157140E-07 0.100000E-04    0.952680E+00
  89    0.195216E-05    0.598144E+02 -0.326369E-07 0.100000E-04    0.953331E+00
  90   -0.227371E-05    0.594085E+02  0.382725E-07 0.100000E-04    0.981152E+00
  91    0.266224E-05    0.581329E+02 -0.457957E-07 0.100000E-04    0.931911E+00
  92    0.363744E-05    0.558549E+02 -0.651230E-07 0.100000E-04    0.956744E+00
  93   -0.325611E-05    0.524369E+02  0.620958E-07 0.100000E-04    0.988562E+00
  94   -0.577807E-06    0.519976E+02  0.111122E-07 0.100000E-04    0.857360E+00
  95   -0.204035E-05    0.502918E+02  0.405702E-07 0.100000E-04    0.888214E+00
  96   -0.111492E-05    0.461217E+02  0.241735E-07 0.100000E-04    0.937064E+00
  97   -0.299447E-05    0.433897E+02  0.690133E-07 0.100000E-04    0.887503E+00
  98    0.616305E-06    0.409261E+02 -0.150590E-07 0.100000E-04    0.458048E+00
  99   -0.200443E-05    0.378642E+02  0.529375E-07 0.100000E-04    0.787577E+00
 100   -0.156514E-05    0.361781E+02  0.432621E-07 0.100000E-04    0.895370E+00
 101    0.107200E-04    0.322360E+02 -0.332547E-06 0.100000E-04    0.949722E+00
 102    0.196183E-06    0.289305E+02 -0.678116E-08 0.100000E-04    0.594113E+01
 103    0.249065E-05    0.284579E+02 -0.875207E-07 0.100000E-04    0.965536E+00
 104    0.915212E-06    0.263236E+02 -0.347677E-07 0.100000E-04    0.766995E+00
 105    0.628444E-05    0.233243E+02 -0.269438E-06 0.100000E-04    0.937280E+00
 106   -0.486095E-05    0.213480E+02  0.227701E-06 0.100000E-04    0.972676E+00
 107    0.212267E-04    0.198457E+02 -0.106959E-05 0.100000E-04    0.929847E+00
 108   -0.235605E-04    0.164470E+02  0.143252E-05 0.100000E-04    0.939420E+00
 109   -0.520016E-05    0.139138E+02  0.373740E-06 0.100000E-04    0.962002E+00
 110    0.956009E-05    0.122451E+02 -0.780726E-06 0.100000E-04    0.848390E+00
 111    0.313043E-05    0.100845E+02 -0.310419E-06 0.100000E-04    0.735617E+00
 112   -0.294842E-01    0.919427E+01  0.100000E-04 0.100000E-04    0.567752E+00
 113    0.103934E+00    0.576218E+01 -0.223663E-04 0.223663E-04    0.195747E+00
 114    0.913949E+00    0.314283E+01  0.100000E-04 0.100000E-04    0.824868E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2236629784E-04    0.2696584036    

 Beginning of optimization cycle  693.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988668694
 potential> RMS force:                                               0.0861963791   |gradient|=.9203254851    
 Eigenvalues of the Hessian matrix:
   747.00834    673.94171    630.94222    600.52732    586.32264    578.90278 
   564.55816    487.42208    460.49611    459.72549    441.61575    429.49476 
   421.85012    407.80353    396.28743    387.34435    370.07066    360.58249 
   349.28279    335.35362    329.37925    321.80844    319.18404    309.29333 
   300.76711    290.60661    279.12280    272.77570    268.55997    264.98164 
   263.88747    253.16463    241.60224    240.80627    234.08015    227.54728 
   217.19748    214.90406    213.23582    207.71883    202.96311    195.36314 
   194.87347    191.40227    183.02322    174.42122    172.35802    168.23975 
   163.19388    156.85498    154.95622    152.23960    146.61418    143.31279 
   138.13796    135.87286    130.26963    128.85788    126.91591    123.97692 
   120.02734    118.17883    116.80075    110.38403    106.81252    104.47264 
   102.86202     99.50643     96.07297     94.08361     91.93348     91.24982 
    88.37474     85.63498     80.84203     80.56022     77.93737     73.26682 
    72.50640     67.89125     64.71489     61.31077     59.81406     59.40861 
    58.13289     55.85462     52.43679     51.99719     50.29238     46.12128 
    43.39027     40.92619     37.86412     36.17770     32.23566     28.93087 
    28.45792     26.32394     23.32420     21.34825     19.84560     16.44687 
    13.91389     12.24515     10.08449      9.19583      5.76236      3.14250 
overlap for current and previous eigenvector    109 is         0.9999999876
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is        -0.9999999439
overlap for current and previous eigenvector    112 is        -0.9999999115
overlap for current and previous eigenvector    113 is        -0.9999999340
overlap for current and previous eigenvector    114 is        -0.9999999649
J1,K1,R1,R2,RAT=   7   7    0.3693857665E-01     1.963051195        0.9630511950    
FOB,PFOB,DIAG,PSTEP=   -0.1688192824E-06   -0.1752944428E-06     747.0083380        0.2346631628E-09
J1,K1,R1,R2,RAT=   8   8   -0.4202506813E-01     2.042029506        0.9579749319    
FOB,PFOB,DIAG,PSTEP=   -0.4250445310E-06   -0.4079024411E-06     673.9417129        0.6052474987E-09
J1,K1,R1,R2,RAT=   9   9   -0.4838288793E-01     2.048373545        0.9516171121    
FOB,PFOB,DIAG,PSTEP=   -0.7508293886E-06   -0.7161784453E-06     630.9422188        0.1135098856E-08
J1,K1,R1,R2,RAT=  10  10   -0.5592703464         2.559277646        0.4407296536    
FOB,PFOB,DIAG,PSTEP=   -0.6231284711E-07   -0.3996287675E-07     600.5273201        0.6654606637E-10
J1,K1,R1,R2,RAT=  11  11     2.754075243       -0.7540734057        0.2459265943    
FOB,PFOB,DIAG,PSTEP=    0.3246619608E-08   -0.1850903662E-08     586.3226363        0.3156797720E-11
J1,K1,R1,R2,RAT= 109 109   -0.1610142782E-01     2.016092943        0.9838985722    
FOB,PFOB,DIAG,PSTEP=   -0.5283890147E-05   -0.5200159794E-05     13.91388841        0.3737403738E-06
J1,K1,R1,R2,RAT= 110 110   -0.1450124847         2.145009114        0.8549875153    
FOB,PFOB,DIAG,PSTEP=    0.1094642716E-04    0.9560092114E-05     12.24515103       -0.7807260361E-06
J1,K1,R1,R2,RAT= 111 111     2.107212808       -0.1072013710        0.8927986290    
FOB,PFOB,DIAG,PSTEP=   -0.3466019783E-05    0.3130434800E-05     10.08449136       -0.3104189182E-06
J1,K1,R1,R2,RAT= 112 112     640.8488601        0.4030244496        0.5969755504    
FOB,PFOB,DIAG,PSTEP=    0.2944716787E-01   -0.2948422933E-01     9.195833975        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1613.620402       -0.7753912008        0.2246087992    
FOB,PFOB,DIAG,PSTEP=   -0.1040338257        0.1039338912         5.762360754       -0.2236629784E-04
J1,K1,R1,R2,RAT= 114 114    -58167.06489        0.1155974210        0.8844025790    
FOB,PFOB,DIAG,PSTEP=   -0.9139523096        0.9139486769         3.142501671        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00001     -0.00002     -0.00003 
    -0.00001      0.00001     -0.00000      0.02945     -0.10403     -0.91395 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3805558128
 Log product of positive Hessian eigenvalues =          519.0778497050
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1425016715
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000019
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000012
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000001
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000006
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000039
 Unscaled step for mode   36=       -0.0000000047
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000077
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000092
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000071
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=        0.0000000007
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=        0.0000000088
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000017
 Unscaled step for mode   61=        0.0000000076
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=        0.0000000175
 Unscaled step for mode   64=       -0.0000000022
 Unscaled step for mode   65=        0.0000000110
 Unscaled step for mode   66=       -0.0000000062
 Unscaled step for mode   67=        0.0000000159
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=       -0.0000000125
 Unscaled step for mode   71=        0.0000000073
 Unscaled step for mode   72=       -0.0000000080
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=        0.0000000002
 Unscaled step for mode   75=       -0.0000000000
 Unscaled step for mode   76=       -0.0000000018
 Unscaled step for mode   77=        0.0000000160
 Unscaled step for mode   78=       -0.0000000087
 Unscaled step for mode   79=       -0.0000000088
 Unscaled step for mode   80=        0.0000000073
 Unscaled step for mode   81=        0.0000000159
 Unscaled step for mode   82=       -0.0000000160
 Unscaled step for mode   83=        0.0000000018
 Unscaled step for mode   84=       -0.0000000073
 Unscaled step for mode   85=       -0.0000000315
 Unscaled step for mode   86=        0.0000000089
 Unscaled step for mode   87=       -0.0000000164
 Unscaled step for mode   88=        0.0000000149
 Unscaled step for mode   89=        0.0000000338
 Unscaled step for mode   90=        0.0000000398
 Unscaled step for mode   91=        0.0000000506
 Unscaled step for mode   92=        0.0000000693
 Unscaled step for mode   93=       -0.0000000641
 Unscaled step for mode   94=       -0.0000000097
 Unscaled step for mode   95=       -0.0000000442
 Unscaled step for mode   96=        0.0000000270
 Unscaled step for mode   97=       -0.0000000767
 Unscaled step for mode   98=       -0.0000000197
 Unscaled step for mode   99=       -0.0000000624
 Unscaled step for mode  100=       -0.0000000479
 Unscaled step for mode  101=        0.0000003573
 Unscaled step for mode  102=       -0.0000000171
 Unscaled step for mode  103=       -0.0000000898
 Unscaled step for mode  104=       -0.0000000149
 Unscaled step for mode  105=       -0.0000002917
 Unscaled step for mode  106=       -0.0000002347
 Unscaled step for mode  107=        0.0000011648
 Unscaled step for mode  108=        0.0000015430
 Unscaled step for mode  109=        0.0000003798
 Unscaled step for mode  110=       -0.0000008939
 Unscaled step for mode  111=        0.0000003437
 Unscaled step for mode  112=       -0.0032021963
 Unscaled step for mode  113=        0.0180481477
 Unscaled step for mode  114=       -0.2696836234
 Largest modulus ratio of non-zero e/values=           237.7113574    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.158933E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.203169E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.358546E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.224481E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.133791E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.499985E-14    0.974325E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.168819E-06    0.747008E+03  0.225994E-09 0.100000E-04    0.963051E+00
   8   -0.425045E-06    0.673942E+03  0.630684E-09 0.100000E-04    0.957975E+00
   9   -0.750829E-06    0.630942E+03  0.119001E-08 0.100000E-04    0.951617E+00
  10   -0.623128E-07    0.600527E+03  0.103764E-09 0.100000E-04    0.440730E+00
  11    0.324662E-08    0.586323E+03 -0.553726E-11 0.100000E-04    0.245927E+00
  12   -0.107429E-05    0.578903E+03  0.185573E-08 0.100000E-04    0.953378E+00
  13    0.431668E-07    0.564558E+03 -0.764613E-10 0.100000E-04    0.937685E+00
  14    0.447677E-06    0.487422E+03 -0.918458E-09 0.100000E-04    0.954964E+00
  15   -0.463015E-06    0.460496E+03  0.100547E-08 0.100000E-04    0.941402E+00
  16   -0.156589E-06    0.459725E+03  0.340615E-09 0.100000E-04    0.809482E+00
  17   -0.658782E-06    0.441616E+03  0.149175E-08 0.100000E-04    0.917206E+00
  18   -0.430267E-06    0.429495E+03  0.100180E-08 0.100000E-04    0.934828E+00
  19   -0.111415E-06    0.421850E+03  0.264111E-09 0.100000E-04    0.778824E+00
  20   -0.391144E-06    0.407804E+03  0.959148E-09 0.100000E-04    0.933266E+00
  21   -0.456390E-06    0.396287E+03  0.115166E-08 0.100000E-04    0.928000E+00
  22   -0.629563E-06    0.387344E+03  0.162533E-08 0.100000E-04    0.987746E+00
  23    0.851687E-06    0.370071E+03 -0.230142E-08 0.100000E-04    0.935834E+00
  24   -0.429695E-06    0.360582E+03  0.119167E-08 0.100000E-04    0.981044E+00
  25   -0.454989E-07    0.349283E+03  0.130264E-09 0.100000E-04    0.602696E+00
  26    0.233280E-07    0.335354E+03 -0.695625E-10 0.100000E-04    0.632635E+00
  27    0.421100E-06    0.329379E+03 -0.127846E-08 0.100000E-04    0.880423E+00
  28   -0.442457E-06    0.321808E+03  0.137491E-08 0.100000E-04    0.883254E+00
  29   -0.180209E-06    0.319184E+03  0.564594E-09 0.109000E-04    0.851706E-01
  30   -0.142851E-05    0.309293E+03  0.461863E-08 0.100000E-04    0.948309E+00
  31   -0.109173E-05    0.300767E+03  0.362983E-08 0.100000E-04    0.957273E+00
  32   -0.128384E-05    0.290607E+03  0.441779E-08 0.100000E-04    0.964706E+00
  33   -0.914740E-07    0.279123E+03  0.327719E-09 0.100000E-04    0.203110E+00
  34    0.274203E-07    0.272776E+03 -0.100523E-09 0.100000E-04    0.942739E+00
  35    0.103976E-05    0.268560E+03 -0.387161E-08 0.100000E-04    0.964080E+00
  36    0.123485E-05    0.264982E+03 -0.466015E-08 0.100000E-04    0.988553E+00
  37   -0.557219E-06    0.263887E+03  0.211158E-08 0.100000E-04    0.908481E+00
  38   -0.125690E-06    0.253165E+03  0.496475E-09 0.100000E-04    0.971829E+00
  39   -0.388831E-06    0.241602E+03  0.160938E-08 0.100000E-04    0.904094E+00
  40   -0.121372E-05    0.240806E+03  0.504022E-08 0.100000E-04    0.991439E+00
  41   -0.950306E-06    0.234080E+03  0.405974E-08 0.100000E-04    0.981159E+00
  42   -0.174618E-05    0.227547E+03  0.767393E-08 0.100000E-04    0.955854E+00
  43    0.469158E-08    0.217197E+03 -0.216005E-10 0.100000E-04    0.481469E+00
  44   -0.197073E-05    0.214904E+03  0.917028E-08 0.100000E-04    0.973623E+00
  45    0.711287E-06    0.213236E+03 -0.333568E-08 0.100000E-04    0.998182E+00
  46    0.106599E-05    0.207719E+03 -0.513189E-08 0.100000E-04    0.997583E+00
  47   -0.749287E-06    0.202963E+03  0.369174E-08 0.100000E-04    0.980201E+00
  48   -0.131326E-05    0.195363E+03  0.672214E-08 0.100000E-04    0.915259E+00
  49    0.101276E-05    0.194873E+03 -0.519702E-08 0.100000E-04    0.957634E+00
  50    0.136731E-05    0.191402E+03 -0.714365E-08 0.100000E-04    0.884958E+00
  51    0.254338E-06    0.183023E+03 -0.138965E-08 0.100000E-04    0.855526E+00
  52   -0.660112E-06    0.174421E+03  0.378458E-08 0.100000E-04    0.916005E+00
  53   -0.129250E-06    0.172358E+03  0.749892E-09 0.100000E-04    0.873000E+00
  54   -0.198149E-06    0.168240E+03  0.117778E-08 0.100000E-04    0.941379E+00
  55    0.791123E-06    0.163194E+03 -0.484775E-08 0.100000E-04    0.995038E+00
  56   -0.137797E-05    0.156855E+03  0.878497E-08 0.100000E-04    0.975721E+00
  57   -0.412829E-06    0.154956E+03  0.266416E-08 0.100000E-04    0.866186E+00
  58   -0.909315E-06    0.152240E+03  0.597292E-08 0.100000E-04    0.990618E+00
  59   -0.607633E-06    0.146614E+03  0.414443E-08 0.100000E-04    0.993909E+00
  60    0.241416E-06    0.143313E+03 -0.168454E-08 0.100000E-04    0.766176E+00
  61   -0.105525E-05    0.138138E+03  0.763908E-08 0.100000E-04    0.829645E+00
  62    0.970332E-06    0.135873E+03 -0.714147E-08 0.100000E-04    0.959426E+00
  63   -0.228030E-05    0.130270E+03  0.175044E-07 0.100000E-04    0.913314E+00
  64    0.285339E-06    0.128858E+03 -0.221437E-08 0.100000E-04    0.296861E+00
  65   -0.139521E-05    0.126916E+03  0.109932E-07 0.100000E-04    0.902095E+00
  66    0.763725E-06    0.123977E+03 -0.616022E-08 0.100000E-04    0.902831E+00
  67   -0.191420E-05    0.120027E+03  0.159480E-07 0.100000E-04    0.961857E+00
  68    0.471751E-06    0.118179E+03 -0.399184E-08 0.100000E-04    0.939416E+00
  69   -0.688124E-07    0.116801E+03  0.589144E-09 0.109000E-04    0.164468E+00
  70    0.137848E-05    0.110384E+03 -0.124880E-07 0.100000E-04    0.950246E+00
  71   -0.776875E-06    0.106813E+03  0.727326E-08 0.100000E-04    0.915222E+00
  72    0.833516E-06    0.104473E+03 -0.797832E-08 0.100000E-04    0.856811E+00
  73   -0.165039E-06    0.102862E+03  0.160447E-08 0.100000E-04    0.731070E+00
  74   -0.192405E-07    0.995064E+02  0.193359E-09 0.100000E-04    0.389586E+00
  75    0.661777E-09    0.960730E+02 -0.688828E-11 0.109000E-04    0.545628E-02
  76    0.167204E-06    0.940836E+02 -0.177718E-08 0.100000E-04    0.861909E+00
  77   -0.146863E-05    0.919335E+02  0.159749E-07 0.100000E-04    0.966170E+00
  78    0.793998E-06    0.912498E+02 -0.870136E-08 0.100000E-04    0.957564E+00
  79    0.780007E-06    0.883747E+02 -0.882613E-08 0.100000E-04    0.957210E+00
  80   -0.624409E-06    0.856350E+02  0.729152E-08 0.100000E-04    0.918644E+00
  81   -0.128159E-05    0.808420E+02  0.158530E-07 0.100000E-04    0.985989E+00
  82    0.128965E-05    0.805602E+02 -0.160085E-07 0.100000E-04    0.937473E+00
  83   -0.138230E-06    0.779374E+02  0.177360E-08 0.100000E-04    0.694574E+00
  84    0.537521E-06    0.732668E+02 -0.733649E-08 0.100000E-04    0.464969E+00
  85    0.228595E-05    0.725064E+02 -0.315276E-07 0.100000E-04    0.906315E+00
  86   -0.602046E-06    0.678913E+02  0.886781E-08 0.100000E-04    0.831598E+00
  87    0.106196E-05    0.647149E+02 -0.164099E-07 0.100000E-04    0.765047E+00
  88   -0.912743E-06    0.613108E+02  0.148872E-07 0.100000E-04    0.947375E+00
  89   -0.202221E-05    0.598141E+02  0.338082E-07 0.100000E-04    0.964115E+00
  90   -0.236300E-05    0.594086E+02  0.397754E-07 0.100000E-04    0.960731E+00
  91   -0.294131E-05    0.581329E+02  0.505964E-07 0.100000E-04    0.895172E+00
  92   -0.387243E-05    0.558546E+02  0.693305E-07 0.100000E-04    0.935397E+00
  93    0.335861E-05    0.524368E+02 -0.640506E-07 0.100000E-04    0.968523E+00
  94    0.505017E-06    0.519972E+02 -0.971240E-08 0.100000E-04    0.874024E+00
  95    0.222446E-05    0.502924E+02 -0.442306E-07 0.100000E-04    0.909763E+00
  96   -0.124686E-05    0.461213E+02  0.270343E-07 0.100000E-04    0.881664E+00
  97    0.332673E-05    0.433903E+02 -0.766699E-07 0.100000E-04    0.889042E+00
  98    0.806449E-06    0.409262E+02 -0.197050E-07 0.100000E-04    0.691479E+00
  99    0.236408E-05    0.378641E+02 -0.624358E-07 0.100000E-04    0.820577E+00
 100    0.173171E-05    0.361777E+02 -0.478668E-07 0.100000E-04    0.893575E+00
 101   -0.115164E-04    0.322357E+02  0.357257E-06 0.100000E-04    0.925709E+00
 102    0.493639E-06    0.289309E+02 -0.170627E-07 0.100000E-04    0.516206E+00
 103    0.255438E-05    0.284579E+02 -0.897599E-07 0.100000E-04    0.974413E+00
 104    0.391933E-06    0.263239E+02 -0.148888E-07 0.100000E-04    0.428226E+00
 105    0.680318E-05    0.233242E+02 -0.291679E-06 0.100000E-04    0.917456E+00
 106    0.501094E-05    0.213483E+02 -0.234724E-06 0.100000E-04    0.969144E+00
 107   -0.231167E-04    0.198456E+02  0.116483E-05 0.100000E-04    0.910962E+00
 108   -0.253778E-04    0.164469E+02  0.154302E-05 0.100000E-04    0.922867E+00
 109   -0.528389E-05    0.139139E+02  0.379757E-06 0.100000E-04    0.983899E+00
 110    0.109464E-04    0.122452E+02 -0.893940E-06 0.100000E-04    0.854988E+00
 111   -0.346602E-05    0.100845E+02  0.343698E-06 0.100000E-04    0.892799E+00
 112    0.294472E-01    0.919583E+01 -0.100000E-04 0.100000E-04    0.596976E+00
 113   -0.104034E+00    0.576236E+01  0.201498E-04 0.201498E-04    0.224609E+00
 114   -0.913952E+00    0.314250E+01 -0.100000E-04 0.100000E-04    0.884403E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2014981788E-04    0.2696836234    

 Beginning of optimization cycle  694.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988601189
 potential> RMS force:                                               0.0861977972   |gradient|=.9203406262    
 Eigenvalues of the Hessian matrix:
   747.01205    673.94045    630.94505    600.52510    586.32217    578.90285 
   564.55420    487.42172    460.49487    459.72497    441.61523    429.49600 
   421.84950    407.80197    396.28689    387.34298    370.07110    360.58264 
   349.28209    335.35426    329.38007    321.80820    319.18468    309.29221 
   300.76654    290.60666    279.12423    272.77616    268.56022    264.98195 
   263.88799    253.16405    241.60259    240.80657    234.08089    227.54758 
   217.19821    214.90419    213.23554    207.71931    202.96271    195.36236 
   194.87382    191.40272    183.02394    174.42193    172.35826    168.24002 
   163.19357    156.85477    154.95672    152.23942    146.61363    143.31240 
   138.13846    135.87285    130.26940    128.85807    126.91610    123.97583 
   120.02752    118.17896    116.80034    110.38426    106.81239    104.47285 
   102.86209     99.50636     96.07278     94.08338     91.93308     91.25002 
    88.37424     85.63527     80.84211     80.56086     77.93715     73.26662 
    72.50584     67.89095     64.71447     61.31035     59.81378     59.40870 
    58.13286     55.85440     52.43669     51.99683     50.29296     46.12088 
    43.39082     40.92630     37.86408     36.17737     32.23530     28.93120 
    28.45797     26.32422     23.32409     21.34850     19.84550     16.44678 
    13.91395     12.24517     10.08443      9.19730      5.76252      3.14219 
overlap for current and previous eigenvector    109 is         0.9999999892
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is        -0.9999999527
overlap for current and previous eigenvector    112 is        -0.9999999241
overlap for current and previous eigenvector    113 is        -0.9999999419
overlap for current and previous eigenvector    114 is        -0.9999999694
J1,K1,R1,R2,RAT=   7   7   -0.1137213127E-01     2.011362191        0.9886278687    
FOB,PFOB,DIAG,PSTEP=   -0.1707391270E-06   -0.1688192824E-06     747.0120507        0.2259938395E-09
J1,K1,R1,R2,RAT=   8   8    0.4795890653E-01     1.952044832        0.9520410935    
FOB,PFOB,DIAG,PSTEP=   -0.4046598981E-06   -0.4250445310E-06     673.9404531        0.6306844091E-09
J1,K1,R1,R2,RAT=   9   9    0.5340997995E-01     1.946581040        0.9465810400    
FOB,PFOB,DIAG,PSTEP=   -0.7107274260E-06   -0.7508293886E-06     630.9450518        0.1190012914E-08
J1,K1,R1,R2,RAT=  10  10    0.4561291736         1.543878216        0.5438708264    
FOB,PFOB,DIAG,PSTEP=   -0.3389024466E-07   -0.6231284711E-07     600.5251014        0.1037635508E-09
J1,K1,R1,R2,RAT=  11  11    0.9095866835         1.090414897        0.9041331651E-01
FOB,PFOB,DIAG,PSTEP=    0.2935399798E-09    0.3246619608E-08     586.3221730       -0.5537257828E-11
J1,K1,R1,R2,RAT= 109 109    0.4803638318E-01     1.951955261        0.9519552606    
FOB,PFOB,DIAG,PSTEP=   -0.5030070114E-05   -0.5283890147E-05     13.91394655        0.3797565418E-06
J1,K1,R1,R2,RAT= 110 110    0.1491128110         1.850883635        0.8508836352    
FOB,PFOB,DIAG,PSTEP=    0.9314171737E-05    0.1094642716E-04     12.24517279       -0.8939397425E-06
J1,K1,R1,R2,RAT= 111 111     1.789672932        0.2103390986        0.7896609014    
FOB,PFOB,DIAG,PSTEP=    0.2736984691E-05   -0.3466019783E-05     10.08443070        0.3436980269E-06
J1,K1,R1,R2,RAT= 112 112     639.9049178        0.4388864304        0.5611135696    
FOB,PFOB,DIAG,PSTEP=   -0.2940680218E-01    0.2944716787E-01     9.197299226       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1792.769082       -0.8385377534        0.1614622466    
FOB,PFOB,DIAG,PSTEP=    0.1041311914       -0.1040338257         5.762517636        0.2014981788E-04
J1,K1,R1,R2,RAT= 114 114    -58173.17925        0.1737140455        0.8262859545    
FOB,PFOB,DIAG,PSTEP=    0.9139577680       -0.9139523096         3.142187003       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00001      0.00001      0.00000     -0.02941      0.10413      0.91396 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3805340237
 Log product of positive Hessian eigenvalues =          519.0779099255
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1421870031
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=       -0.0000000022
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000042
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=       -0.0000000063
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=       -0.0000000161
 Unscaled step for mode   64=        0.0000000013
 Unscaled step for mode   65=        0.0000000097
 Unscaled step for mode   66=       -0.0000000055
 Unscaled step for mode   67=        0.0000000153
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000118
 Unscaled step for mode   71=       -0.0000000066
 Unscaled step for mode   72=        0.0000000094
 Unscaled step for mode   73=       -0.0000000012
 Unscaled step for mode   74=       -0.0000000007
 Unscaled step for mode   75=       -0.0000000015
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=       -0.0000000168
 Unscaled step for mode   78=       -0.0000000084
 Unscaled step for mode   79=       -0.0000000087
 Unscaled step for mode   80=       -0.0000000067
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=       -0.0000000149
 Unscaled step for mode   83=       -0.0000000026
 Unscaled step for mode   84=        0.0000000043
 Unscaled step for mode   85=       -0.0000000280
 Unscaled step for mode   86=       -0.0000000074
 Unscaled step for mode   87=        0.0000000131
 Unscaled step for mode   88=       -0.0000000158
 Unscaled step for mode   89=       -0.0000000319
 Unscaled step for mode   90=        0.0000000387
 Unscaled step for mode   91=       -0.0000000466
 Unscaled step for mode   92=       -0.0000000657
 Unscaled step for mode   93=        0.0000000630
 Unscaled step for mode   94=        0.0000000119
 Unscaled step for mode   95=        0.0000000391
 Unscaled step for mode   96=        0.0000000251
 Unscaled step for mode   97=        0.0000000674
 Unscaled step for mode   98=       -0.0000000129
 Unscaled step for mode   99=        0.0000000507
 Unscaled step for mode  100=        0.0000000426
 Unscaled step for mode  101=       -0.0000003360
 Unscaled step for mode  102=       -0.0000000071
 Unscaled step for mode  103=       -0.0000000861
 Unscaled step for mode  104=       -0.0000000286
 Unscaled step for mode  105=       -0.0000002710
 Unscaled step for mode  106=        0.0000002260
 Unscaled step for mode  107=       -0.0000010741
 Unscaled step for mode  108=        0.0000014358
 Unscaled step for mode  109=        0.0000003615
 Unscaled step for mode  110=       -0.0000007606
 Unscaled step for mode  111=       -0.0000002714
 Unscaled step for mode  112=        0.0031972975
 Unscaled step for mode  113=       -0.0180645366
 Unscaled step for mode  114=        0.2697083602
 Largest modulus ratio of non-zero e/values=           237.7363441    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.833751E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.251101E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.153190E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.192907E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.129020E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.438459E-14    0.974325E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170739E-06    0.747012E+03  0.228563E-09 0.100000E-04    0.988628E+00
   8   -0.404660E-06    0.673940E+03  0.600439E-09 0.100000E-04    0.952041E+00
   9   -0.710727E-06    0.630945E+03  0.112645E-08 0.100000E-04    0.946581E+00
  10   -0.338902E-07    0.600525E+03  0.564344E-10 0.100000E-04    0.543871E+00
  11    0.293540E-09    0.586322E+03 -0.500646E-12 0.109000E-04    0.904133E-01
  12   -0.101392E-05    0.578903E+03  0.175145E-08 0.100000E-04    0.943807E+00
  13    0.474398E-07    0.564554E+03 -0.840306E-10 0.100000E-04    0.901011E+00
  14    0.417444E-06    0.487422E+03 -0.856433E-09 0.100000E-04    0.932468E+00
  15   -0.434962E-06    0.460495E+03  0.944553E-09 0.100000E-04    0.939412E+00
  16   -0.128763E-06    0.459725E+03  0.280087E-09 0.100000E-04    0.822296E+00
  17   -0.599365E-06    0.441615E+03  0.135721E-08 0.100000E-04    0.909808E+00
  18   -0.400413E-06    0.429496E+03  0.932286E-09 0.100000E-04    0.930611E+00
  19   -0.151380E-06    0.421850E+03  0.358849E-09 0.100000E-04    0.641298E+00
  20   -0.361195E-06    0.407802E+03  0.885711E-09 0.100000E-04    0.923431E+00
  21   -0.419434E-06    0.396287E+03  0.105841E-08 0.100000E-04    0.919025E+00
  22   -0.625021E-06    0.387343E+03  0.161361E-08 0.100000E-04    0.992785E+00
  23    0.786436E-06    0.370071E+03 -0.212509E-08 0.100000E-04    0.923384E+00
  24   -0.420428E-06    0.360583E+03  0.116597E-08 0.100000E-04    0.978433E+00
  25   -0.863448E-07    0.349282E+03  0.247206E-09 0.109000E-04    0.102266E+00
  26   -0.351276E-07    0.335354E+03  0.104748E-09 0.100000E-04    0.494188E+00
  27    0.376574E-06    0.329380E+03 -0.114328E-08 0.100000E-04    0.894258E+00
  28   -0.397350E-06    0.321808E+03  0.123474E-08 0.100000E-04    0.898053E+00
  29   -0.105369E-06    0.319185E+03  0.330118E-09 0.100000E-04    0.584698E+00
  30   -0.137558E-05    0.309292E+03  0.444750E-08 0.100000E-04    0.962945E+00
  31   -0.104438E-05    0.300767E+03  0.347241E-08 0.100000E-04    0.956629E+00
  32   -0.124509E-05    0.290607E+03  0.428445E-08 0.100000E-04    0.969816E+00
  33   -0.394043E-07    0.279124E+03  0.141171E-09 0.100000E-04    0.430764E+00
  34   -0.266556E-07    0.272776E+03  0.977195E-10 0.100000E-04    0.972106E+00
  35    0.100821E-05    0.268560E+03 -0.375414E-08 0.100000E-04    0.969658E+00
  36    0.121751E-05    0.264982E+03 -0.459470E-08 0.100000E-04    0.985954E+00
  37   -0.501071E-06    0.263888E+03  0.189880E-08 0.100000E-04    0.899232E+00
  38   -0.129500E-06    0.253164E+03  0.511526E-09 0.100000E-04    0.969687E+00
  39   -0.432749E-06    0.241603E+03  0.179116E-08 0.100000E-04    0.887051E+00
  40   -0.119807E-05    0.240807E+03  0.497522E-08 0.100000E-04    0.987103E+00
  41   -0.960803E-06    0.234081E+03  0.410458E-08 0.100000E-04    0.988953E+00
  42   -0.168510E-05    0.227548E+03  0.740549E-08 0.100000E-04    0.965017E+00
  43    0.720821E-08    0.217198E+03 -0.331872E-10 0.100000E-04    0.463589E+00
  44   -0.190908E-05    0.214904E+03  0.888341E-08 0.100000E-04    0.968717E+00
  45    0.724034E-06    0.213236E+03 -0.339547E-08 0.100000E-04    0.982079E+00
  46    0.104930E-05    0.207719E+03 -0.505155E-08 0.100000E-04    0.984342E+00
  47   -0.724215E-06    0.202963E+03  0.356822E-08 0.100000E-04    0.966538E+00
  48   -0.121834E-05    0.195362E+03  0.623631E-08 0.100000E-04    0.927723E+00
  49    0.960677E-06    0.194874E+03 -0.492974E-08 0.100000E-04    0.948568E+00
  50    0.120190E-05    0.191403E+03 -0.627942E-08 0.100000E-04    0.879019E+00
  51    0.220746E-06    0.183024E+03 -0.120610E-08 0.100000E-04    0.867916E+00
  52   -0.613177E-06    0.174422E+03  0.351548E-08 0.100000E-04    0.928891E+00
  53   -0.153605E-06    0.172358E+03  0.891197E-09 0.100000E-04    0.811565E+00
  54    0.214187E-06    0.168240E+03 -0.127310E-08 0.100000E-04    0.919062E+00
  55    0.801241E-06    0.163194E+03 -0.490976E-08 0.100000E-04    0.987211E+00
  56    0.133891E-05    0.156855E+03 -0.853596E-08 0.100000E-04    0.971653E+00
  57    0.343399E-06    0.154957E+03 -0.221610E-08 0.100000E-04    0.831813E+00
  58   -0.914350E-06    0.152239E+03  0.600600E-08 0.100000E-04    0.994463E+00
  59    0.608531E-06    0.146614E+03 -0.415057E-08 0.100000E-04    0.998522E+00
  60   -0.177309E-06    0.143312E+03  0.123722E-08 0.100000E-04    0.734455E+00
  61    0.867006E-06    0.138138E+03 -0.627636E-08 0.100000E-04    0.821608E+00
  62   -0.937870E-06    0.135873E+03  0.690256E-08 0.100000E-04    0.966546E+00
  63    0.209486E-05    0.130269E+03 -0.160810E-07 0.100000E-04    0.918678E+00
  64   -0.169683E-06    0.128858E+03  0.131682E-08 0.100000E-04    0.594669E+00
  65   -0.123184E-05    0.126916E+03  0.970591E-08 0.100000E-04    0.882898E+00
  66    0.679737E-06    0.123976E+03 -0.548282E-08 0.100000E-04    0.890027E+00
  67   -0.183973E-05    0.120028E+03  0.153275E-07 0.100000E-04    0.961092E+00
  68   -0.439904E-06    0.118179E+03  0.372236E-08 0.100000E-04    0.932491E+00
  69    0.793243E-08    0.116800E+03 -0.679144E-10 0.118810E-04    0.115273E+00
  70    0.130160E-05    0.110384E+03 -0.117915E-07 0.100000E-04    0.944222E+00
  71    0.708072E-06    0.106812E+03 -0.662912E-08 0.100000E-04    0.911437E+00
  72   -0.985496E-06    0.104473E+03  0.943303E-08 0.100000E-04    0.817665E+00
  73    0.123085E-06    0.102862E+03 -0.119660E-08 0.100000E-04    0.745793E+00
  74    0.655098E-07    0.995064E+02 -0.658348E-09 0.100000E-04    0.140480E+01
  75    0.148322E-06    0.960728E+02 -0.154385E-08 0.100000E-04    0.222128E+03
  76    0.142239E-06    0.940834E+02 -0.151184E-08 0.100000E-04    0.850691E+00
  77    0.154153E-05    0.919331E+02 -0.167679E-07 0.100000E-04    0.950362E+00
  78    0.766336E-06    0.912500E+02 -0.839820E-08 0.100000E-04    0.965157E+00
  79    0.765959E-06    0.883742E+02 -0.866721E-08 0.100000E-04    0.981989E+00
  80    0.571736E-06    0.856353E+02 -0.667641E-08 0.100000E-04    0.915637E+00
  81    0.127501E-05    0.808421E+02 -0.157716E-07 0.100000E-04    0.994861E+00
  82    0.119922E-05    0.805609E+02 -0.148858E-07 0.100000E-04    0.929864E+00
  83    0.202465E-06    0.779371E+02 -0.259780E-08 0.100000E-04    0.535296E+00
  84   -0.317184E-06    0.732666E+02  0.432917E-08 0.100000E-04    0.590085E+00
  85    0.202718E-05    0.725058E+02 -0.279588E-07 0.100000E-04    0.886795E+00
  86    0.501703E-06    0.678910E+02 -0.738984E-08 0.100000E-04    0.833329E+00
  87   -0.848774E-06    0.647145E+02  0.131157E-07 0.100000E-04    0.799248E+00
  88    0.968774E-06    0.613104E+02 -0.158012E-07 0.100000E-04    0.938612E+00
  89    0.190868E-05    0.598138E+02 -0.319104E-07 0.100000E-04    0.943860E+00
  90   -0.230000E-05    0.594087E+02  0.387148E-07 0.100000E-04    0.973336E+00
  91    0.270789E-05    0.581329E+02 -0.465811E-07 0.100000E-04    0.920640E+00
  92    0.367036E-05    0.558544E+02 -0.657129E-07 0.100000E-04    0.947818E+00
  93   -0.330263E-05    0.524367E+02  0.629832E-07 0.100000E-04    0.983334E+00
  94   -0.621115E-06    0.519968E+02  0.119453E-07 0.100000E-04    0.770109E+00
  95   -0.196870E-05    0.502930E+02  0.391445E-07 0.100000E-04    0.884999E+00
  96   -0.115778E-05    0.461209E+02  0.251031E-07 0.100000E-04    0.928556E+00
  97   -0.292663E-05    0.433908E+02  0.674481E-07 0.100000E-04    0.879708E+00
  98    0.528978E-06    0.409263E+02 -0.129251E-07 0.100000E-04    0.655931E+00
  99   -0.192037E-05    0.378641E+02  0.507174E-07 0.100000E-04    0.812313E+00
 100   -0.153971E-05    0.361774E+02  0.425600E-07 0.100000E-04    0.889126E+00
 101    0.108306E-04    0.322353E+02 -0.335984E-06 0.100000E-04    0.940445E+00
 102    0.205527E-06    0.289312E+02 -0.710399E-08 0.100000E-04    0.416334E+00
 103    0.245025E-05    0.284580E+02 -0.861007E-07 0.100000E-04    0.959231E+00
 104    0.751977E-06    0.263242E+02 -0.285660E-07 0.109000E-04    0.813745E-01
 105    0.632066E-05    0.233241E+02 -0.270993E-06 0.100000E-04    0.929074E+00
 106   -0.482510E-05    0.213485E+02  0.226016E-06 0.100000E-04    0.962890E+00
 107    0.213165E-04    0.198455E+02 -0.107412E-05 0.100000E-04    0.922126E+00
 108   -0.236150E-04    0.164468E+02  0.143584E-05 0.100000E-04    0.930535E+00
 109   -0.503007E-05    0.139139E+02  0.361513E-06 0.100000E-04    0.951955E+00
 110    0.931417E-05    0.122452E+02 -0.760640E-06 0.100000E-04    0.850884E+00
 111    0.273698E-05    0.100844E+02 -0.271407E-06 0.100000E-04    0.789661E+00
 112   -0.294068E-01    0.919730E+01  0.100000E-04 0.100000E-04    0.561114E+00
 113    0.104131E+00    0.576252E+01 -0.219633E-04 0.219633E-04    0.161462E+00
 114    0.913958E+00    0.314219E+01  0.100000E-04 0.100000E-04    0.826286E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2196330149E-04    0.2697083602    

 Beginning of optimization cycle  695.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988535585
 potential> RMS force:                                               0.0861991035   |gradient|=.9203545730    
 Eigenvalues of the Hessian matrix:
   747.01584    673.93899    630.94797    600.52291    586.32165    578.90292 
   564.55000    487.42127    460.49360    459.72444    441.61467    429.49738 
   421.84886    407.80033    396.28630    387.34158    370.07156    360.58283 
   349.28144    335.35493    329.38094    321.80790    319.18545    309.29105 
   300.76602    290.60674    279.12578    272.77663    268.56054    264.98227 
   263.88860    253.16350    241.60303    240.80688    234.08172    227.54796 
   217.19903    214.90432    213.23526    207.71982    202.96230    195.36156 
   194.87422    191.40317    183.02472    174.42270    172.35851    168.24032 
   163.19325    156.85455    154.95725    152.23923    146.61304    143.31198 
   138.13900    135.87284    130.26914    128.85828    126.91630    123.97467 
   120.02771    118.17907    116.79989    110.38451    106.81223    104.47305 
   102.86217     99.50628     96.07256     94.08313     91.93269     91.25024 
    88.37372     85.63557     80.84221     80.56155     77.93691     73.26638 
    72.50523     67.89061     64.71403     61.30994     59.81349     59.40877 
    58.13282     55.85415     52.43658     51.99644     50.29355     46.12044 
    43.39140     40.92641     37.86402     36.17696     32.23492     28.93154 
    28.45804     26.32453     23.32400     21.34873     19.84542     16.44667 
    13.91401     12.24520     10.08437      9.19884      5.76269      3.14186 
overlap for current and previous eigenvector    109 is         0.9999999879
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999447
overlap for current and previous eigenvector    112 is         0.9999999132
overlap for current and previous eigenvector    113 is         0.9999999358
overlap for current and previous eigenvector    114 is         0.9999999658
J1,K1,R1,R2,RAT=   7   7    0.5341222939E-02     1.994648626        0.9946486263    
FOB,PFOB,DIAG,PSTEP=   -0.1698271666E-06   -0.1707391270E-06     747.0158421        0.2285627479E-09
J1,K1,R1,R2,RAT=   8   8   -0.4113749971E-01     2.041141856        0.9588625003    
FOB,PFOB,DIAG,PSTEP=   -0.4213065583E-06   -0.4046598981E-06     673.9389851        0.6004386535E-09
J1,K1,R1,R2,RAT=   9   9   -0.4501436663E-01     2.045005120        0.9549856334    
FOB,PFOB,DIAG,PSTEP=   -0.7427205188E-06   -0.7107274260E-06     630.9479687        0.1126449005E-08
J1,K1,R1,R2,RAT=  10  10   -0.7095748837         2.709582176        0.2904251163    
FOB,PFOB,DIAG,PSTEP=   -0.5793782339E-07   -0.3389024466E-07     600.5229117        0.5643435151E-10
J1,K1,R1,R2,RAT=  11  11    -4.729997635         6.729999431         3.729997635    
FOB,PFOB,DIAG,PSTEP=    0.1681982143E-08    0.2935399798E-09     586.3216464       -0.5006462202E-12
J1,K1,R1,R2,RAT= 109 109   -0.3953374827E-01     2.039525211        0.9604662517    
FOB,PFOB,DIAG,PSTEP=   -0.5228928489E-05   -0.5030070114E-05     13.91400594        0.3615128244E-06
J1,K1,R1,R2,RAT= 110 110   -0.1446282854         2.144624634        0.8553717146    
FOB,PFOB,DIAG,PSTEP=    0.1066126688E-04    0.9314171737E-05     12.24519515       -0.7606402862E-06
J1,K1,R1,R2,RAT= 111 111   -0.2557735213         2.255784813        0.7442264787    
FOB,PFOB,DIAG,PSTEP=    0.3437028951E-05    0.2736984691E-05     10.08437377       -0.2714069612E-06
J1,K1,R1,R2,RAT= 112 112    0.4101778583         638.9484425        0.5898221417    
FOB,PFOB,DIAG,PSTEP=   -0.2936907055E-01   -0.2940680218E-01     9.198844354        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7834035920         1646.245521        0.2165964080    
FOB,PFOB,DIAG,PSTEP=    0.1042303450        0.1041311914         5.762690851       -0.2196330149E-04
J1,K1,R1,R2,RAT= 114 114    0.1258838257        -58179.51343        0.8741161743    
FOB,PFOB,DIAG,PSTEP=    0.9139617231        0.9139577680         3.141861084        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00003 
    -0.00001      0.00001      0.00000     -0.02937      0.10423      0.91396 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3805137388
 Log product of positive Hessian eigenvalues =          519.0779744447
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1418610837
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=       -0.0000000026
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=       -0.0000000074
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=       -0.0000000173
 Unscaled step for mode   64=        0.0000000021
 Unscaled step for mode   65=        0.0000000108
 Unscaled step for mode   66=       -0.0000000061
 Unscaled step for mode   67=        0.0000000158
 Unscaled step for mode   68=        0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=       -0.0000000072
 Unscaled step for mode   72=        0.0000000082
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=       -0.0000000003
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=       -0.0000000161
 Unscaled step for mode   78=       -0.0000000086
 Unscaled step for mode   79=       -0.0000000088
 Unscaled step for mode   80=       -0.0000000072
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=       -0.0000000158
 Unscaled step for mode   83=       -0.0000000019
 Unscaled step for mode   84=        0.0000000068
 Unscaled step for mode   85=       -0.0000000310
 Unscaled step for mode   86=       -0.0000000086
 Unscaled step for mode   87=        0.0000000159
 Unscaled step for mode   88=       -0.0000000150
 Unscaled step for mode   89=       -0.0000000335
 Unscaled step for mode   90=        0.0000000395
 Unscaled step for mode   91=       -0.0000000497
 Unscaled step for mode   92=       -0.0000000686
 Unscaled step for mode   93=        0.0000000638
 Unscaled step for mode   94=        0.0000000100
 Unscaled step for mode   95=        0.0000000435
 Unscaled step for mode   96=        0.0000000267
 Unscaled step for mode   97=        0.0000000749
 Unscaled step for mode   98=       -0.0000000186
 Unscaled step for mode   99=        0.0000000607
 Unscaled step for mode  100=        0.0000000470
 Unscaled step for mode  101=       -0.0000003532
 Unscaled step for mode  102=       -0.0000000153
 Unscaled step for mode  103=       -0.0000000892
 Unscaled step for mode  104=       -0.0000000170
 Unscaled step for mode  105=       -0.0000002882
 Unscaled step for mode  106=        0.0000002324
 Unscaled step for mode  107=       -0.0000011499
 Unscaled step for mode  108=        0.0000015241
 Unscaled step for mode  109=        0.0000003758
 Unscaled step for mode  110=       -0.0000008706
 Unscaled step for mode  111=       -0.0000003408
 Unscaled step for mode  112=        0.0031926588
 Unscaled step for mode  113=       -0.0180811832
 Unscaled step for mode  114=        0.2697335523
 Largest modulus ratio of non-zero e/values=           237.7622123    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.798949E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.169634E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.837004E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.618340E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.101422E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.400979E-14    0.974325E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.169827E-06    0.747016E+03  0.227341E-09 0.100000E-04    0.994649E+00
   8   -0.421307E-06    0.673939E+03  0.625141E-09 0.100000E-04    0.958863E+00
   9   -0.742721E-06    0.630948E+03  0.117715E-08 0.100000E-04    0.954986E+00
  10   -0.579378E-07    0.600523E+03  0.964790E-10 0.100000E-04    0.290425E+00
  11    0.168198E-08    0.586322E+03 -0.286870E-11 0.100000E-04    0.373000E+01
  12   -0.106336E-05    0.578903E+03  0.183686E-08 0.100000E-04    0.951238E+00
  13    0.435247E-07    0.564550E+03 -0.770962E-10 0.100000E-04    0.917470E+00
  14    0.443313E-06    0.487421E+03 -0.909506E-09 0.100000E-04    0.938031E+00
  15   -0.457608E-06    0.460494E+03  0.993734E-09 0.100000E-04    0.947936E+00
  16   -0.151677E-06    0.459724E+03  0.329931E-09 0.100000E-04    0.822040E+00
  17   -0.648753E-06    0.441615E+03  0.146905E-08 0.100000E-04    0.917599E+00
  18   -0.423566E-06    0.429497E+03  0.986189E-09 0.100000E-04    0.942179E+00
  19   -0.117251E-06    0.421849E+03  0.277946E-09 0.100000E-04    0.774548E+00
  20   -0.385407E-06    0.407800E+03  0.945088E-09 0.100000E-04    0.932964E+00
  21   -0.449354E-06    0.396286E+03  0.113391E-08 0.100000E-04    0.928665E+00
  22   -0.627018E-06    0.387342E+03  0.161877E-08 0.100000E-04    0.996805E+00
  23    0.839740E-06    0.370072E+03 -0.226913E-08 0.100000E-04    0.932221E+00
  24   -0.426588E-06    0.360583E+03  0.118305E-08 0.100000E-04    0.985349E+00
  25   -0.519916E-07    0.349281E+03  0.148853E-09 0.100000E-04    0.602139E+00
  26    0.148830E-07    0.335355E+03 -0.443800E-10 0.100000E-04    0.423682E+00
  27    0.413234E-06    0.329381E+03 -0.125458E-08 0.100000E-04    0.902649E+00
  28   -0.433729E-06    0.321808E+03  0.134779E-08 0.100000E-04    0.908446E+00
  29   -0.166050E-06    0.319185E+03  0.520231E-09 0.100000E-04    0.424103E+00
  30   -0.141785E-05    0.309291E+03  0.458420E-08 0.100000E-04    0.969266E+00
  31   -0.108333E-05    0.300766E+03  0.360191E-08 0.100000E-04    0.962708E+00
  32   -0.127559E-05    0.290607E+03  0.438939E-08 0.100000E-04    0.975506E+00
  33   -0.834133E-07    0.279126E+03  0.298838E-09 0.109000E-04    0.116851E+00
  34    0.186542E-07    0.272777E+03 -0.683862E-10 0.100000E-04    0.699820E+00
  35    0.103142E-05    0.268561E+03 -0.384053E-08 0.100000E-04    0.976986E+00
  36    0.123134E-05    0.264982E+03 -0.464689E-08 0.100000E-04    0.988640E+00
  37   -0.548114E-06    0.263889E+03  0.207707E-08 0.100000E-04    0.906116E+00
  38   -0.125262E-06    0.253164E+03  0.494785E-09 0.100000E-04    0.967270E+00
  39   -0.397472E-06    0.241603E+03  0.164515E-08 0.100000E-04    0.918479E+00
  40   -0.120956E-05    0.240807E+03  0.502296E-08 0.100000E-04    0.990404E+00
  41   -0.951143E-06    0.234082E+03  0.406329E-08 0.100000E-04    0.989938E+00
  42   -0.173208E-05    0.227548E+03  0.761193E-08 0.100000E-04    0.972122E+00
  43    0.700184E-08    0.217199E+03 -0.322370E-10 0.100000E-04    0.971362E+00
  44   -0.195775E-05    0.214904E+03  0.910988E-08 0.100000E-04    0.974506E+00
  45    0.710669E-06    0.213235E+03 -0.333279E-08 0.100000E-04    0.981541E+00
  46    0.106348E-05    0.207720E+03 -0.511977E-08 0.100000E-04    0.986494E+00
  47   -0.745358E-06    0.202962E+03  0.367240E-08 0.100000E-04    0.970805E+00
  48   -0.129372E-05    0.195362E+03  0.662217E-08 0.100000E-04    0.938131E+00
  49    0.100542E-05    0.194874E+03 -0.515935E-08 0.100000E-04    0.953421E+00
  50    0.133853E-05    0.191403E+03 -0.699324E-08 0.100000E-04    0.886321E+00
  51    0.248525E-06    0.183025E+03 -0.135787E-08 0.100000E-04    0.874161E+00
  52   -0.650440E-06    0.174423E+03  0.372910E-08 0.100000E-04    0.939230E+00
  53   -0.134912E-06    0.172359E+03  0.782740E-09 0.100000E-04    0.878301E+00
  54    0.201428E-06    0.168240E+03 -0.119727E-08 0.100000E-04    0.940431E+00
  55    0.790695E-06    0.163193E+03 -0.484515E-08 0.100000E-04    0.986838E+00
  56    0.136841E-05    0.156855E+03 -0.872405E-08 0.100000E-04    0.977966E+00
  57    0.400835E-06    0.154957E+03 -0.258675E-08 0.100000E-04    0.832742E+00
  58   -0.909836E-06    0.152239E+03  0.597636E-08 0.100000E-04    0.995063E+00
  59    0.605367E-06    0.146613E+03 -0.412901E-08 0.100000E-04    0.994801E+00
  60   -0.229563E-06    0.143312E+03  0.160184E-08 0.100000E-04    0.705295E+00
  61    0.102426E-05    0.138139E+03 -0.741468E-08 0.100000E-04    0.818630E+00
  62   -0.960115E-06    0.135873E+03  0.706628E-08 0.100000E-04    0.976282E+00
  63    0.224831E-05    0.130269E+03 -0.172589E-07 0.100000E-04    0.926751E+00
  64   -0.265831E-06    0.128858E+03  0.206297E-08 0.100000E-04    0.433367E+00
  65   -0.136718E-05    0.126916E+03  0.107723E-07 0.100000E-04    0.890129E+00
  66    0.752153E-06    0.123975E+03 -0.606699E-08 0.100000E-04    0.893464E+00
  67   -0.189945E-05    0.120028E+03  0.158251E-07 0.100000E-04    0.967539E+00
  68   -0.466632E-06    0.118179E+03  0.394851E-08 0.100000E-04    0.939242E+00
  69    0.602177E-07    0.116800E+03 -0.515563E-09 0.107036E-04    0.559136E+01
  70    0.136381E-05    0.110385E+03 -0.123551E-07 0.100000E-04    0.952204E+00
  71    0.765029E-06    0.106812E+03 -0.716238E-08 0.100000E-04    0.919561E+00
  72   -0.856194E-06    0.104473E+03  0.819536E-08 0.100000E-04    0.868791E+00
  73    0.157290E-06    0.102862E+03 -0.152913E-08 0.100000E-04    0.722109E+00
  74    0.271894E-07    0.995063E+02 -0.273243E-09 0.100000E-04    0.415042E+00
  75    0.246476E-07    0.960726E+02 -0.256552E-09 0.109000E-04    0.166174E+00
  76    0.162092E-06    0.940831E+02 -0.172286E-08 0.100000E-04    0.860420E+00
  77    0.148306E-05    0.919327E+02 -0.161320E-07 0.100000E-04    0.962068E+00
  78    0.784978E-06    0.912502E+02 -0.860248E-08 0.100000E-04    0.975674E+00
  79    0.775600E-06    0.883737E+02 -0.877636E-08 0.100000E-04    0.987413E+00
  80    0.616817E-06    0.856356E+02 -0.720281E-08 0.100000E-04    0.921151E+00
  81    0.127887E-05    0.808422E+02 -0.158194E-07 0.100000E-04    0.996967E+00
  82    0.127468E-05    0.805615E+02 -0.158224E-07 0.100000E-04    0.937073E+00
  83    0.146203E-06    0.779369E+02 -0.187591E-08 0.100000E-04    0.722112E+00
  84   -0.498886E-06    0.732664E+02  0.680921E-08 0.100000E-04    0.427136E+00
  85    0.224438E-05    0.725052E+02 -0.309548E-07 0.100000E-04    0.892851E+00
  86    0.580918E-06    0.678906E+02 -0.855667E-08 0.100000E-04    0.842109E+00
  87   -0.102824E-05    0.647140E+02  0.158890E-07 0.100000E-04    0.788555E+00
  88    0.917488E-06    0.613099E+02 -0.149648E-07 0.100000E-04    0.947060E+00
  89    0.200088E-05    0.598135E+02 -0.334519E-07 0.100000E-04    0.951698E+00
  90   -0.234478E-05    0.594088E+02  0.394685E-07 0.100000E-04    0.980531E+00
  91    0.289143E-05    0.581328E+02 -0.497384E-07 0.100000E-04    0.932220E+00
  92    0.383336E-05    0.558541E+02 -0.686315E-07 0.100000E-04    0.955590E+00
  93   -0.334317E-05    0.524366E+02  0.637565E-07 0.100000E-04    0.987724E+00
  94   -0.518085E-06    0.519964E+02  0.996386E-08 0.100000E-04    0.834119E+00
  95   -0.218803E-05    0.502936E+02  0.435052E-07 0.100000E-04    0.888590E+00
  96   -0.123044E-05    0.461204E+02  0.266789E-07 0.100000E-04    0.937237E+00
  97   -0.324984E-05    0.433914E+02  0.748959E-07 0.100000E-04    0.889565E+00
  98    0.759790E-06    0.409264E+02 -0.185648E-07 0.100000E-04    0.563667E+00
  99   -0.229763E-05    0.378640E+02  0.606811E-07 0.100000E-04    0.803547E+00
 100   -0.169878E-05    0.361770E+02  0.469575E-07 0.100000E-04    0.896687E+00
 101    0.113862E-04    0.322349E+02 -0.353226E-06 0.100000E-04    0.948695E+00
 102    0.443894E-06    0.289315E+02 -0.153429E-07 0.109000E-04    0.159772E+00
 103    0.253838E-05    0.284580E+02 -0.891973E-07 0.100000E-04    0.964033E+00
 104    0.446267E-06    0.263245E+02 -0.169525E-07 0.100000E-04    0.593440E+00
 105    0.672146E-05    0.233240E+02 -0.288178E-06 0.100000E-04    0.936589E+00
 106   -0.496234E-05    0.213487E+02  0.232442E-06 0.100000E-04    0.971559E+00
 107    0.228207E-04    0.198454E+02 -0.114992E-05 0.100000E-04    0.929435E+00
 108   -0.250667E-04    0.164467E+02  0.152412E-05 0.100000E-04    0.938523E+00
 109   -0.522893E-05    0.139140E+02  0.375803E-06 0.100000E-04    0.960466E+00
 110    0.106613E-04    0.122452E+02 -0.870649E-06 0.100000E-04    0.855372E+00
 111    0.343703E-05    0.100844E+02 -0.340827E-06 0.100000E-04    0.744226E+00
 112   -0.293691E-01    0.919884E+01  0.100000E-04 0.100000E-04    0.589822E+00
 113    0.104230E+00    0.576269E+01 -0.197868E-04 0.197868E-04    0.216596E+00
 114    0.913962E+00    0.314186E+01  0.100000E-04 0.100000E-04    0.874116E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1978675810E-04    0.2697335523    

 Beginning of optimization cycle  696.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988467732
 potential> RMS force:                                               0.0862005414   |gradient|=.9203699259    
 Eigenvalues of the Hessian matrix:
   747.01952    673.93775    630.95078    600.52070    586.32120    578.90298 
   564.54609    487.42094    460.49237    459.72393    441.61416    429.49858 
   421.84824    407.79879    396.28576    387.34021    370.07200    360.58298 
   349.28074    335.35555    329.38175    321.80766    319.18607    309.28994 
   300.76544    290.60680    279.12719    272.77708    268.56079    264.98257 
   263.88911    253.16292    241.60337    240.80718    234.08245    227.54825 
   217.19975    214.90445    213.23498    207.72029    202.96191    195.36078 
   194.87456    191.40361    183.02543    174.42340    172.35875    168.24059 
   163.19295    156.85434    154.95775    152.23906    146.61249    143.31160 
   138.13949    135.87283    130.26892    128.85847    126.91649    123.97360 
   120.02790    118.17920    116.79949    110.38475    106.81209    104.47326 
   102.86225     99.50622     96.07237     94.08291     91.93229     91.25044 
    88.37323     85.63585     80.84230     80.56218     77.93669     73.26619 
    72.50469     67.89032     64.71361     61.30952     59.81321     59.40886 
    58.13280     55.85393     52.43648     51.99608     50.29412     46.12005 
    43.39195     40.92652     37.86399     36.17665     32.23457     28.93187 
    28.45809     26.32481     23.32389     21.34898     19.84532     16.44658 
    13.91406     12.24522     10.08431      9.20029      5.76284      3.14155 
overlap for current and previous eigenvector    109 is        -0.9999999895
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999534
overlap for current and previous eigenvector    112 is        -0.9999999254
overlap for current and previous eigenvector    113 is        -0.9999999434
overlap for current and previous eigenvector    114 is        -0.9999999703
J1,K1,R1,R2,RAT=   7   7   -0.1257528977E-01     2.012565436        0.9874247102    
FOB,PFOB,DIAG,PSTEP=   -0.1719628030E-06   -0.1698271666E-06     747.0195227        0.2273407832E-09
J1,K1,R1,R2,RAT=   8   8    0.4743082935E-01     1.952572830        0.9525691707    
FOB,PFOB,DIAG,PSTEP=   -0.4013236754E-06   -0.4213065583E-06     673.9377518        0.6251405063E-09
J1,K1,R1,R2,RAT=   9   9    0.5240702509E-01     1.947584079        0.9475840791    
FOB,PFOB,DIAG,PSTEP=   -0.7037965728E-06   -0.7427205188E-06     630.9507751        0.1177150186E-08
J1,K1,R1,R2,RAT=  10  10    0.4817869990         1.518220376        0.5182130010    
FOB,PFOB,DIAG,PSTEP=   -0.3002423627E-07   -0.5793782339E-07     600.5206972        0.9647895570E-10
J1,K1,R1,R2,RAT=  11  11     1.678270497        0.3217310392        0.6782689608    
FOB,PFOB,DIAG,PSTEP=   -0.1140836695E-08    0.1681982143E-08     586.3211960       -0.2868702107E-11
J1,K1,R1,R2,RAT= 109 109     1.956479464        0.4351215797E-01    0.9564794645    
FOB,PFOB,DIAG,PSTEP=    0.5001405574E-05   -0.5228928489E-05     13.91406422        0.3758032382E-06
J1,K1,R1,R2,RAT= 110 110    0.1504461059         1.849550222        0.8495502220    
FOB,PFOB,DIAG,PSTEP=    0.9057317853E-05    0.1066126688E-04     12.24521763       -0.8706489978E-06
J1,K1,R1,R2,RAT= 111 111     1.797731876        0.2022800584        0.7977199416    
FOB,PFOB,DIAG,PSTEP=   -0.2741790683E-05    0.3437028951E-05     10.08431359       -0.3408272076E-06
J1,K1,R1,R2,RAT= 112 112     637.9924490        0.4451838952        0.5548161048    
FOB,PFOB,DIAG,PSTEP=    0.2932811232E-01   -0.2936907055E-01     9.200294294        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1828.998263       -0.8447023808        0.1552976192    
FOB,PFOB,DIAG,PSTEP=   -0.1043266647        0.1042303450         5.762843874       -0.1978675810E-04
J1,K1,R1,R2,RAT= 114 114    -58185.62123        0.1841797230        0.8158202770    
FOB,PFOB,DIAG,PSTEP=   -0.9139675092        0.9139617231         3.141548021        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000      0.02933     -0.10433     -0.91397 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3804917066
 Log product of positive Hessian eigenvalues =          519.0780339043
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1415480209
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000061
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=        0.0000000061
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=        0.0000000158
 Unscaled step for mode   64=       -0.0000000012
 Unscaled step for mode   65=        0.0000000095
 Unscaled step for mode   66=       -0.0000000054
 Unscaled step for mode   67=        0.0000000152
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000117
 Unscaled step for mode   71=        0.0000000065
 Unscaled step for mode   72=       -0.0000000097
 Unscaled step for mode   73=        0.0000000011
 Unscaled step for mode   74=        0.0000000007
 Unscaled step for mode   75=       -0.0000000018
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=       -0.0000000169
 Unscaled step for mode   78=       -0.0000000083
 Unscaled step for mode   79=       -0.0000000086
 Unscaled step for mode   80=        0.0000000066
 Unscaled step for mode   81=        0.0000000157
 Unscaled step for mode   82=       -0.0000000147
 Unscaled step for mode   83=        0.0000000027
 Unscaled step for mode   84=       -0.0000000039
 Unscaled step for mode   85=       -0.0000000275
 Unscaled step for mode   86=        0.0000000071
 Unscaled step for mode   87=       -0.0000000125
 Unscaled step for mode   88=       -0.0000000158
 Unscaled step for mode   89=       -0.0000000316
 Unscaled step for mode   90=       -0.0000000385
 Unscaled step for mode   91=       -0.0000000456
 Unscaled step for mode   92=        0.0000000649
 Unscaled step for mode   93=       -0.0000000626
 Unscaled step for mode   94=       -0.0000000122
 Unscaled step for mode   95=       -0.0000000385
 Unscaled step for mode   96=        0.0000000245
 Unscaled step for mode   97=       -0.0000000659
 Unscaled step for mode   98=       -0.0000000121
 Unscaled step for mode   99=       -0.0000000490
 Unscaled step for mode  100=       -0.0000000417
 Unscaled step for mode  101=        0.0000003313
 Unscaled step for mode  102=       -0.0000000053
 Unscaled step for mode  103=       -0.0000000856
 Unscaled step for mode  104=       -0.0000000317
 Unscaled step for mode  105=       -0.0000002670
 Unscaled step for mode  106=       -0.0000002241
 Unscaled step for mode  107=        0.0000010567
 Unscaled step for mode  108=        0.0000014152
 Unscaled step for mode  109=       -0.0000003594
 Unscaled step for mode  110=       -0.0000007397
 Unscaled step for mode  111=        0.0000002719
 Unscaled step for mode  112=       -0.0031877039
 Unscaled step for mode  113=        0.0180974009
 Unscaled step for mode  114=       -0.2697582615
 Largest modulus ratio of non-zero e/values=           237.7870775    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.487566E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.225200E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.434992E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.742787E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.224416E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.508114E-14    0.974326E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171963E-06    0.747020E+03  0.230199E-09 0.100000E-04    0.987425E+00
   8   -0.401324E-06    0.673938E+03  0.595491E-09 0.100000E-04    0.952569E+00
   9   -0.703797E-06    0.630951E+03  0.111545E-08 0.100000E-04    0.947584E+00
  10   -0.300242E-07    0.600521E+03  0.499970E-10 0.100000E-04    0.518213E+00
  11   -0.114084E-08    0.586321E+03  0.194575E-11 0.100000E-04    0.678269E+00
  12   -0.100437E-05    0.578903E+03  0.173496E-08 0.100000E-04    0.944526E+00
  13    0.478577E-07    0.564546E+03 -0.847720E-10 0.100000E-04    0.900446E+00
  14    0.413494E-06    0.487421E+03 -0.848330E-09 0.100000E-04    0.932736E+00
  15   -0.430155E-06    0.460492E+03  0.934120E-09 0.100000E-04    0.940008E+00
  16   -0.124306E-06    0.459724E+03  0.270394E-09 0.100000E-04    0.819545E+00
  17   -0.590688E-06    0.441614E+03  0.133756E-08 0.100000E-04    0.910497E+00
  18   -0.395077E-06    0.429499E+03  0.919858E-09 0.100000E-04    0.932737E+00
  19   -0.157142E-06    0.421848E+03  0.372507E-09 0.100000E-04    0.659789E+00
  20   -0.356216E-06    0.407799E+03  0.873509E-09 0.100000E-04    0.924258E+00
  21   -0.413553E-06    0.396286E+03  0.104357E-08 0.100000E-04    0.920326E+00
  22   -0.622796E-06    0.387340E+03  0.160788E-08 0.100000E-04    0.993265E+00
  23    0.776334E-06    0.370072E+03 -0.209779E-08 0.100000E-04    0.924490E+00
  24   -0.418500E-06    0.360583E+03  0.116062E-08 0.100000E-04    0.981041E+00
  25   -0.918016E-07    0.349281E+03  0.262831E-09 0.100000E-04    0.234297E+00
  26   -0.456285E-07    0.335356E+03  0.136060E-09 0.100000E-04    0.106580E+01
  27    0.368469E-06    0.329382E+03 -0.111867E-08 0.100000E-04    0.891667E+00
  28   -0.388892E-06    0.321808E+03  0.120846E-08 0.100000E-04    0.896626E+00
  29   -0.899629E-07    0.319186E+03  0.281851E-09 0.100000E-04    0.541778E+00
  30   -0.136153E-05    0.309290E+03  0.440212E-08 0.100000E-04    0.960277E+00
  31   -0.103588E-05    0.300765E+03  0.344416E-08 0.100000E-04    0.956201E+00
  32   -0.123644E-05    0.290607E+03  0.425468E-08 0.100000E-04    0.969310E+00
  33   -0.306753E-07    0.279127E+03  0.109897E-09 0.100000E-04    0.367743E+00
  34   -0.365853E-07    0.272777E+03  0.134122E-09 0.109000E-04    0.387631E-01
  35    0.100013E-05    0.268561E+03 -0.372402E-08 0.100000E-04    0.969661E+00
  36    0.121321E-05    0.264983E+03 -0.457847E-08 0.100000E-04    0.985275E+00
  37   -0.492684E-06    0.263889E+03  0.186701E-08 0.100000E-04    0.898867E+00
  38   -0.129716E-06    0.253163E+03  0.512382E-09 0.100000E-04    0.964437E+00
  39   -0.441825E-06    0.241603E+03  0.182872E-08 0.100000E-04    0.888413E+00
  40   -0.119366E-05    0.240807E+03  0.495690E-08 0.100000E-04    0.986847E+00
  41   -0.962879E-06    0.234082E+03  0.411342E-08 0.100000E-04    0.987661E+00
  42   -0.166965E-05    0.227548E+03  0.733755E-08 0.100000E-04    0.963953E+00
  43    0.894706E-08    0.217200E+03 -0.411928E-10 0.100000E-04    0.722185E+00
  44   -0.189719E-05    0.214904E+03  0.882804E-08 0.100000E-04    0.969062E+00
  45    0.723846E-06    0.213235E+03 -0.339459E-08 0.100000E-04    0.981458E+00
  46    0.104784E-05    0.207720E+03 -0.504446E-08 0.100000E-04    0.985289E+00
  47   -0.720602E-06    0.202962E+03  0.355043E-08 0.100000E-04    0.966786E+00
  48   -0.119902E-05    0.195361E+03  0.613744E-08 0.100000E-04    0.926798E+00
  49    0.953357E-06    0.194875E+03 -0.489216E-08 0.100000E-04    0.948210E+00
  50    0.117372E-05    0.191404E+03 -0.613215E-08 0.100000E-04    0.876866E+00
  51    0.214785E-06    0.183025E+03 -0.117352E-08 0.100000E-04    0.864233E+00
  52   -0.603945E-06    0.174423E+03  0.346252E-08 0.100000E-04    0.928511E+00
  53   -0.158131E-06    0.172359E+03  0.917454E-09 0.100000E-04    0.827893E+00
  54   -0.215921E-06    0.168241E+03  0.128341E-08 0.100000E-04    0.928050E+00
  55    0.798599E-06    0.163193E+03 -0.489358E-08 0.100000E-04    0.990005E+00
  56    0.133228E-05    0.156854E+03 -0.849371E-08 0.100000E-04    0.973596E+00
  57   -0.334534E-06    0.154958E+03  0.215888E-08 0.100000E-04    0.834587E+00
  58   -0.912060E-06    0.152239E+03  0.599097E-08 0.100000E-04    0.997555E+00
  59   -0.606604E-06    0.146612E+03  0.413747E-08 0.100000E-04    0.997956E+00
  60    0.169010E-06    0.143312E+03 -0.117932E-08 0.100000E-04    0.736226E+00
  61   -0.837730E-06    0.138139E+03  0.606438E-08 0.100000E-04    0.817885E+00
  62    0.930374E-06    0.135873E+03 -0.684739E-08 0.100000E-04    0.969023E+00
  63   -0.206193E-05    0.130269E+03  0.158283E-07 0.100000E-04    0.917105E+00
  64    0.149671E-06    0.128858E+03 -0.116151E-08 0.100000E-04    0.563028E+00
  65   -0.120773E-05    0.126916E+03  0.951598E-08 0.100000E-04    0.883373E+00
  66    0.668468E-06    0.123974E+03 -0.539202E-08 0.100000E-04    0.888738E+00
  67   -0.182557E-05    0.120028E+03  0.152095E-07 0.100000E-04    0.961102E+00
  68    0.434643E-06    0.118179E+03 -0.367783E-08 0.100000E-04    0.931446E+00
  69   -0.209358E-08    0.116799E+03  0.179246E-10 0.116669E-04    0.347635E-01
  70    0.128818E-05    0.110385E+03 -0.116699E-07 0.100000E-04    0.944541E+00
  71   -0.697231E-06    0.106812E+03  0.652764E-08 0.100000E-04    0.911378E+00
  72    0.100977E-05    0.104473E+03 -0.966530E-08 0.100000E-04    0.820635E+00
  73   -0.115984E-06    0.102862E+03  0.112756E-08 0.100000E-04    0.737388E+00
  74   -0.706174E-07    0.995062E+02  0.709678E-09 0.100000E-04    0.597243E+00
  75    0.168586E-06    0.960724E+02 -0.175478E-08 0.100000E-04    0.483986E+01
  76    0.136894E-06    0.940829E+02 -0.145503E-08 0.100000E-04    0.844540E+00
  77    0.155026E-05    0.919323E+02 -0.168631E-07 0.100000E-04    0.954685E+00
  78    0.758196E-06    0.912504E+02 -0.830896E-08 0.100000E-04    0.965877E+00
  79    0.760774E-06    0.883732E+02 -0.860864E-08 0.100000E-04    0.980884E+00
  80   -0.564648E-06    0.856359E+02  0.659360E-08 0.100000E-04    0.915417E+00
  81   -0.127104E-05    0.808423E+02  0.157225E-07 0.100000E-04    0.993875E+00
  82    0.118352E-05    0.805622E+02 -0.146908E-07 0.100000E-04    0.928470E+00
  83   -0.211790E-06    0.779367E+02  0.271746E-08 0.100000E-04    0.551397E+00
  84    0.282255E-06    0.732662E+02 -0.385246E-08 0.100000E-04    0.565770E+00
  85    0.199145E-05    0.725047E+02 -0.274665E-07 0.100000E-04    0.887304E+00
  86   -0.484124E-06    0.678903E+02  0.713097E-08 0.100000E-04    0.833377E+00
  87    0.810524E-06    0.647136E+02 -0.125248E-07 0.100000E-04    0.788260E+00
  88    0.971059E-06    0.613095E+02 -0.158386E-07 0.100000E-04    0.941611E+00
  89    0.189198E-05    0.598132E+02 -0.316314E-07 0.100000E-04    0.945574E+00
  90    0.228496E-05    0.594089E+02 -0.384616E-07 0.100000E-04    0.974487E+00
  91    0.264984E-05    0.581328E+02 -0.455825E-07 0.100000E-04    0.916444E+00
  92   -0.362746E-05    0.558539E+02  0.649455E-07 0.100000E-04    0.946289E+00
  93    0.328213E-05    0.524365E+02 -0.625925E-07 0.100000E-04    0.981741E+00
  94    0.632075E-06    0.519961E+02 -0.121562E-07 0.100000E-04    0.779977E+00
  95    0.193656E-05    0.502941E+02 -0.385048E-07 0.100000E-04    0.885051E+00
  96   -0.113110E-05    0.461200E+02  0.245252E-07 0.100000E-04    0.919265E+00
  97    0.285986E-05    0.433919E+02 -0.659076E-07 0.100000E-04    0.879978E+00
  98    0.494754E-06    0.409265E+02 -0.120888E-07 0.100000E-04    0.651167E+00
  99    0.185467E-05    0.378640E+02 -0.489823E-07 0.100000E-04    0.807208E+00
 100    0.150842E-05    0.361766E+02 -0.416959E-07 0.100000E-04    0.887941E+00
 101   -0.106781E-04    0.322346E+02  0.331264E-06 0.100000E-04    0.937813E+00
 102    0.152392E-06    0.289319E+02 -0.526727E-08 0.100000E-04    0.343292E+00
 103    0.243533E-05    0.284581E+02 -0.855761E-07 0.100000E-04    0.959400E+00
 104    0.833419E-06    0.263248E+02 -0.316591E-07 0.109000E-04    0.132474E+00
 105    0.622774E-05    0.233239E+02 -0.267011E-06 0.100000E-04    0.926545E+00
 106    0.478465E-05    0.213490E+02 -0.224116E-06 0.100000E-04    0.964169E+00
 107   -0.209711E-04    0.198453E+02  0.105673E-05 0.100000E-04    0.918951E+00
 108   -0.232755E-04    0.164466E+02  0.141522E-05 0.100000E-04    0.928542E+00
 109    0.500141E-05    0.139141E+02 -0.359450E-06 0.100000E-04    0.956479E+00
 110    0.905732E-05    0.122452E+02 -0.739662E-06 0.100000E-04    0.849550E+00
 111   -0.274179E-05    0.100843E+02  0.271887E-06 0.100000E-04    0.797720E+00
 112    0.293281E-01    0.920029E+01 -0.100000E-04 0.100000E-04    0.554816E+00
 113   -0.104327E+00    0.576284E+01  0.215676E-04 0.215676E-04    0.155298E+00
 114   -0.913968E+00    0.314155E+01 -0.100000E-04 0.100000E-04    0.815820E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2156756632E-04    0.2697582615    

 Beginning of optimization cycle  697.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988401750
 potential> RMS force:                                               0.0862018693   |gradient|=.9203841040    
 Eigenvalues of the Hessian matrix:
   747.02328    673.93631    630.95366    600.51851    586.32068    578.90304 
   564.54194    487.42050    460.49111    459.72340    441.61361    429.49993 
   421.84760    407.79717    396.28517    387.33881    370.07246    360.58316 
   349.28008    335.35621    329.38261    321.80737    319.18682    309.28878 
   300.76492    290.60688    279.12871    272.77756    268.56110    264.98289 
   263.88971    253.16237    241.60380    240.80748    234.08327    227.54860 
   217.20055    214.90459    213.23470    207.72079    202.96151    195.35999 
   194.87495    191.40406    183.02619    174.42416    172.35900    168.24088 
   163.19263    156.85412    154.95827    152.23888    146.61191    143.31118 
   138.14002    135.87283    130.26866    128.85868    126.91669    123.97246 
   120.02808    118.17932    116.79904    110.38500    106.81194    104.47346 
   102.86233     99.50614     96.07216     94.08267     91.93191     91.25066 
    88.37271     85.63616     80.84239     80.56286     77.93646     73.26596 
    72.50409     67.88999     64.71317     61.30911     59.81292     59.40893 
    58.13275     55.85368     52.43637     51.99570     50.29471     46.11961 
    43.39252     40.92663     37.86393     36.17625     32.23419     28.93220 
    28.45816     26.32512     23.32379     21.34922     19.84524     16.44647 
    13.91412     12.24524     10.08426      9.20182      5.76301      3.14122 
overlap for current and previous eigenvector    109 is        -0.9999999881
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999456
overlap for current and previous eigenvector    112 is        -0.9999999147
overlap for current and previous eigenvector    113 is        -0.9999999375
overlap for current and previous eigenvector    114 is        -0.9999999668
J1,K1,R1,R2,RAT=   7   7    0.4911949273E-02     1.995077991        0.9950779915    
FOB,PFOB,DIAG,PSTEP=   -0.1711181262E-06   -0.1719628030E-06     747.0232800        0.2301985393E-09
J1,K1,R1,R2,RAT=   8   8   -0.4074126168E-01     2.040745528        0.9592587383    
FOB,PFOB,DIAG,PSTEP=   -0.4176740734E-06   -0.4013236754E-06     673.9363140        0.5954907176E-09
J1,K1,R1,R2,RAT=   9   9   -0.4467123471E-01     2.044662077        0.9553287653    
FOB,PFOB,DIAG,PSTEP=   -0.7352361786E-06   -0.7037965728E-06     630.9536641        0.1115454011E-08
J1,K1,R1,R2,RAT=  10  10   -0.7878421226         2.787849401        0.2121578774    
FOB,PFOB,DIAG,PSTEP=   -0.5367850822E-07   -0.3002423627E-07     600.5185118        0.4999700495E-10
J1,K1,R1,R2,RAT=  11  11     1.139202077        0.8607996705        0.1392003295    
FOB,PFOB,DIAG,PSTEP=    0.1588057018E-09   -0.1140836695E-08     586.3206839        0.1945753800E-11
J1,K1,R1,R2,RAT= 109 109     2.039566345       -0.3957489717E-01    0.9604251028    
FOB,PFOB,DIAG,PSTEP=   -0.5199336531E-05    0.5001405574E-05     13.91412372       -0.3594496542E-06
J1,K1,R1,R2,RAT= 110 110   -0.1461185402         2.146114782        0.8538814598    
FOB,PFOB,DIAG,PSTEP=    0.1038076240E-04    0.9057317853E-05     12.24524064       -0.7396616479E-06
J1,K1,R1,R2,RAT= 111 111     2.254952076       -0.2549408750        0.7450591250    
FOB,PFOB,DIAG,PSTEP=    0.3440781284E-05   -0.2741790683E-05     10.08425711        0.2718866940E-06
J1,K1,R1,R2,RAT= 112 112     637.0243799        0.4169853982        0.5830146018    
FOB,PFOB,DIAG,PSTEP=   -0.2928974207E-01    0.2932811232E-01     9.201822762       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1679.494254       -0.7885076379        0.2114923621    
FOB,PFOB,DIAG,PSTEP=    0.1044246716       -0.1043266647         5.763013007        0.2156756632E-04
J1,K1,R1,R2,RAT= 114 114    -58191.94627        0.1373806256        0.8626193744    
FOB,PFOB,DIAG,PSTEP=    0.9139718246       -0.9139675092         3.141223917       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00001      0.00001      0.00000     -0.02929      0.10442      0.91397 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3804711630
 Log product of positive Hessian eigenvalues =          519.0780976002
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1412239169
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=       -0.0000000025
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=       -0.0000000072
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=       -0.0000000170
 Unscaled step for mode   64=        0.0000000019
 Unscaled step for mode   65=        0.0000000106
 Unscaled step for mode   66=       -0.0000000060
 Unscaled step for mode   67=        0.0000000157
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=       -0.0000000071
 Unscaled step for mode   72=        0.0000000085
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=       -0.0000000005
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=        0.0000000162
 Unscaled step for mode   78=       -0.0000000085
 Unscaled step for mode   79=       -0.0000000087
 Unscaled step for mode   80=       -0.0000000071
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=       -0.0000000156
 Unscaled step for mode   83=       -0.0000000020
 Unscaled step for mode   84=        0.0000000063
 Unscaled step for mode   85=       -0.0000000304
 Unscaled step for mode   86=       -0.0000000083
 Unscaled step for mode   87=       -0.0000000152
 Unscaled step for mode   88=        0.0000000150
 Unscaled step for mode   89=        0.0000000331
 Unscaled step for mode   90=       -0.0000000392
 Unscaled step for mode   91=        0.0000000486
 Unscaled step for mode   92=        0.0000000678
 Unscaled step for mode   93=       -0.0000000633
 Unscaled step for mode   94=       -0.0000000102
 Unscaled step for mode   95=       -0.0000000428
 Unscaled step for mode   96=        0.0000000260
 Unscaled step for mode   97=        0.0000000732
 Unscaled step for mode   98=       -0.0000000177
 Unscaled step for mode   99=        0.0000000587
 Unscaled step for mode  100=        0.0000000460
 Unscaled step for mode  101=       -0.0000003480
 Unscaled step for mode  102=       -0.0000000133
 Unscaled step for mode  103=       -0.0000000886
 Unscaled step for mode  104=       -0.0000000204
 Unscaled step for mode  105=       -0.0000002838
 Unscaled step for mode  106=        0.0000002304
 Unscaled step for mode  107=       -0.0000011305
 Unscaled step for mode  108=        0.0000015013
 Unscaled step for mode  109=        0.0000003737
 Unscaled step for mode  110=       -0.0000008477
 Unscaled step for mode  111=       -0.0000003412
 Unscaled step for mode  112=        0.0031830047
 Unscaled step for mode  113=       -0.0181138596
 Unscaled step for mode  114=        0.2697834190
 Largest modulus ratio of non-zero e/values=           237.8128079    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.217816E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.245176E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.436897E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.544486E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.614743E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.447179E-14    0.974326E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171118E-06    0.747023E+03  0.229067E-09 0.100000E-04    0.995078E+00
   8   -0.417674E-06    0.673936E+03  0.619753E-09 0.100000E-04    0.959259E+00
   9   -0.735236E-06    0.630954E+03  0.116528E-08 0.100000E-04    0.955329E+00
  10   -0.536785E-07    0.600519E+03  0.893869E-10 0.100000E-04    0.212158E+00
  11    0.158806E-09    0.586321E+03 -0.270851E-12 0.109000E-04    0.139200E+00
  12   -0.105296E-05    0.578903E+03  0.181889E-08 0.100000E-04    0.951621E+00
  13    0.440019E-07    0.564542E+03 -0.779427E-10 0.100000E-04    0.919432E+00
  14    0.438918E-06    0.487421E+03 -0.900491E-09 0.100000E-04    0.938514E+00
  15   -0.452409E-06    0.460491E+03  0.982450E-09 0.100000E-04    0.948265E+00
  16   -0.146795E-06    0.459723E+03  0.319312E-09 0.100000E-04    0.819087E+00
  17   -0.639166E-06    0.441614E+03  0.144734E-08 0.100000E-04    0.917929E+00
  18   -0.417903E-06    0.429500E+03  0.973000E-09 0.100000E-04    0.942225E+00
  19   -0.123632E-06    0.421848E+03  0.293072E-09 0.100000E-04    0.786754E+00
  20   -0.379973E-06    0.407797E+03  0.931771E-09 0.100000E-04    0.933306E+00
  21   -0.443012E-06    0.396285E+03  0.111791E-08 0.100000E-04    0.928766E+00
  22   -0.624710E-06    0.387339E+03  0.161283E-08 0.100000E-04    0.996926E+00
  23    0.828764E-06    0.370072E+03 -0.223946E-08 0.100000E-04    0.932465E+00
  24   -0.424610E-06    0.360583E+03  0.117756E-08 0.100000E-04    0.985402E+00
  25   -0.579204E-07    0.349280E+03  0.165828E-09 0.100000E-04    0.630929E+00
  26    0.311906E-08    0.335356E+03 -0.930075E-11 0.109000E-04    0.683557E-01
  27    0.404225E-06    0.329383E+03 -0.122722E-08 0.100000E-04    0.902961E+00
  28   -0.424515E-06    0.321807E+03  0.131916E-08 0.100000E-04    0.908399E+00
  29   -0.149166E-06    0.319187E+03  0.467332E-09 0.100000E-04    0.341916E+00
  30   -0.140228E-05    0.309289E+03  0.453388E-08 0.100000E-04    0.970073E+00
  31   -0.107393E-05    0.300765E+03  0.357067E-08 0.100000E-04    0.963270E+00
  32   -0.126610E-05    0.290607E+03  0.435674E-08 0.100000E-04    0.976011E+00
  33   -0.737624E-07    0.279129E+03  0.264259E-09 0.100000E-04    0.404614E+00
  34    0.768746E-08    0.272778E+03 -0.281822E-10 0.100000E-04    0.210122E+00
  35    0.102279E-05    0.268561E+03 -0.380839E-08 0.100000E-04    0.977343E+00
  36    0.122657E-05    0.264983E+03 -0.462885E-08 0.100000E-04    0.988995E+00
  37   -0.538885E-06    0.263890E+03  0.204208E-08 0.100000E-04    0.906225E+00
  38   -0.125627E-06    0.253162E+03  0.496232E-09 0.100000E-04    0.968478E+00
  39   -0.407288E-06    0.241604E+03  0.168577E-08 0.100000E-04    0.921828E+00
  40   -0.120477E-05    0.240807E+03  0.500305E-08 0.100000E-04    0.990687E+00
  41   -0.953555E-06    0.234083E+03  0.407357E-08 0.100000E-04    0.990310E+00
  42   -0.171522E-05    0.227549E+03  0.753782E-08 0.100000E-04    0.972705E+00
  43    0.871461E-08    0.217201E+03 -0.401224E-10 0.100000E-04    0.974012E+00
  44   -0.194485E-05    0.214905E+03  0.904985E-08 0.100000E-04    0.974874E+00
  45    0.710567E-06    0.213235E+03 -0.333233E-08 0.100000E-04    0.981655E+00
  46    0.106191E-05    0.207721E+03 -0.511218E-08 0.100000E-04    0.986574E+00
  47   -0.741325E-06    0.202962E+03  0.365254E-08 0.100000E-04    0.971241E+00
  48   -0.127280E-05    0.195360E+03  0.651514E-08 0.100000E-04    0.938464E+00
  49    0.997272E-06    0.194875E+03 -0.511750E-08 0.100000E-04    0.953937E+00
  50    0.130754E-05    0.191404E+03 -0.683132E-08 0.100000E-04    0.885980E+00
  51    0.241931E-06    0.183026E+03 -0.132184E-08 0.100000E-04    0.873613E+00
  52   -0.640422E-06    0.174424E+03  0.367164E-08 0.100000E-04    0.939603E+00
  53   -0.139588E-06    0.172359E+03  0.809871E-09 0.100000E-04    0.882736E+00
  54    0.203249E-06    0.168241E+03 -0.120809E-08 0.100000E-04    0.941309E+00
  55    0.787722E-06    0.163193E+03 -0.482694E-08 0.100000E-04    0.986380E+00
  56    0.136136E-05    0.156854E+03 -0.867916E-08 0.100000E-04    0.978167E+00
  57    0.391170E-06    0.154958E+03 -0.252435E-08 0.100000E-04    0.830705E+00
  58   -0.907058E-06    0.152239E+03  0.595812E-08 0.100000E-04    0.994516E+00
  59    0.603420E-06    0.146612E+03 -0.411576E-08 0.100000E-04    0.994750E+00
  60   -0.220731E-06    0.143311E+03  0.154022E-08 0.100000E-04    0.693977E+00
  61    0.992087E-06    0.138140E+03 -0.718175E-08 0.100000E-04    0.815746E+00
  62   -0.952316E-06    0.135873E+03  0.700888E-08 0.100000E-04    0.976416E+00
  63    0.221195E-05    0.130269E+03 -0.169799E-07 0.100000E-04    0.927244E+00
  64   -0.243784E-06    0.128859E+03  0.189187E-08 0.100000E-04    0.371199E+00
  65   -0.134083E-05    0.126917E+03  0.105646E-07 0.100000E-04    0.889801E+00
  66    0.739624E-06    0.123972E+03 -0.596604E-08 0.100000E-04    0.893552E+00
  67   -0.188396E-05    0.120028E+03  0.156960E-07 0.100000E-04    0.968012E+00
  68    0.460820E-06    0.118179E+03 -0.389933E-08 0.100000E-04    0.939775E+00
  69    0.538199E-07    0.116799E+03 -0.460790E-09 0.105107E-04    0.237072E+02
  70    0.134913E-05    0.110385E+03 -0.122220E-07 0.100000E-04    0.952684E+00
  71    0.753251E-06    0.106812E+03 -0.705213E-08 0.100000E-04    0.919653E+00
  72   -0.883221E-06    0.104473E+03  0.845402E-08 0.100000E-04    0.874676E+00
  73    0.149367E-06    0.102862E+03 -0.145211E-08 0.100000E-04    0.712173E+00
  74    0.325783E-07    0.995061E+02 -0.327399E-09 0.100000E-04    0.461335E+00
  75    0.469189E-07    0.960722E+02 -0.488371E-09 0.100000E-04    0.278307E+00
  76    0.156080E-06    0.940827E+02 -0.165897E-08 0.100000E-04    0.859844E+00
  77   -0.149204E-05    0.919319E+02  0.162298E-07 0.100000E-04    0.962445E+00
  78    0.776471E-06    0.912507E+02 -0.850921E-08 0.100000E-04    0.975898E+00
  79    0.770038E-06    0.883727E+02 -0.871352E-08 0.100000E-04    0.987823E+00
  80    0.609013E-06    0.856362E+02 -0.711164E-08 0.100000E-04    0.921429E+00
  81    0.127447E-05    0.808424E+02 -0.157648E-07 0.100000E-04    0.997307E+00
  82    0.125739E-05    0.805629E+02 -0.156076E-07 0.100000E-04    0.937582E+00
  83    0.156663E-06    0.779365E+02 -0.201014E-08 0.100000E-04    0.739709E+00
  84   -0.460502E-06    0.732660E+02  0.628535E-08 0.100000E-04    0.368488E+00
  85    0.220513E-05    0.725041E+02 -0.304139E-07 0.100000E-04    0.892702E+00
  86    0.562167E-06    0.678900E+02 -0.828057E-08 0.100000E-04    0.838793E+00
  87    0.985854E-06    0.647132E+02 -0.152342E-07 0.100000E-04    0.783681E+00
  88   -0.919930E-06    0.613091E+02  0.150048E-07 0.100000E-04    0.947347E+00
  89   -0.198259E-05    0.598129E+02  0.331466E-07 0.100000E-04    0.952105E+00
  90    0.232924E-05    0.594089E+02 -0.392068E-07 0.100000E-04    0.980623E+00
  91   -0.282753E-05    0.581328E+02  0.486391E-07 0.100000E-04    0.932943E+00
  92   -0.378623E-05    0.558537E+02  0.677883E-07 0.100000E-04    0.956232E+00
  93    0.332059E-05    0.524364E+02 -0.633261E-07 0.100000E-04    0.988281E+00
  94    0.530390E-06    0.519957E+02 -0.102007E-07 0.100000E-04    0.839124E+00
  95    0.215227E-05    0.502947E+02 -0.427931E-07 0.100000E-04    0.888617E+00
  96   -0.120009E-05    0.461196E+02  0.260212E-07 0.100000E-04    0.939010E+00
  97   -0.317742E-05    0.433925E+02  0.732251E-07 0.100000E-04    0.888961E+00
  98    0.722951E-06    0.409266E+02 -0.176646E-07 0.100000E-04    0.538768E+00
  99   -0.222440E-05    0.378639E+02  0.587473E-07 0.100000E-04    0.800645E+00
 100   -0.166436E-05    0.361763E+02  0.460069E-07 0.100000E-04    0.896617E+00
 101    0.112174E-04    0.322342E+02 -0.347998E-06 0.100000E-04    0.949496E+00
 102    0.385606E-06    0.289322E+02 -0.133279E-07 0.100000E-04    0.530338E+00
 103    0.252233E-05    0.284582E+02 -0.886330E-07 0.100000E-04    0.964276E+00
 104    0.537890E-06    0.263251E+02 -0.204326E-07 0.100000E-04    0.645383E+00
 105    0.661836E-05    0.233238E+02 -0.283760E-06 0.100000E-04    0.937278E+00
 106   -0.491864E-05    0.213492E+02  0.230390E-06 0.100000E-04    0.971996E+00
 107    0.224357E-04    0.198452E+02 -0.113053E-05 0.100000E-04    0.930163E+00
 108   -0.246918E-04    0.164465E+02  0.150134E-05 0.100000E-04    0.939152E+00
 109   -0.519934E-05    0.139141E+02  0.373673E-06 0.100000E-04    0.960425E+00
 110    0.103808E-04    0.122452E+02 -0.847739E-06 0.100000E-04    0.853881E+00
 111    0.344078E-05    0.100843E+02 -0.341203E-06 0.100000E-04    0.745059E+00
 112   -0.292897E-01    0.920182E+01  0.100000E-04 0.100000E-04    0.583015E+00
 113    0.104425E+00    0.576301E+01 -0.194302E-04 0.194302E-04    0.211492E+00
 114    0.913972E+00    0.314122E+01  0.100000E-04 0.100000E-04    0.862619E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1943023993E-04    0.2697834190    

 Beginning of optimization cycle  698.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988333555
 potential> RMS force:                                               0.0862033268   |gradient|=.9203996657    
 Eigenvalues of the Hessian matrix:
   747.02693    673.93511    630.95644    600.51630    586.32025    578.90310 
   564.53807    487.42018    460.48989    459.72289    441.61312    429.50110 
   421.84697    407.79564    396.28463    387.33744    370.07291    360.58330 
   349.27937    335.35682    329.38342    321.80715    319.18741    309.28768 
   300.76434    290.60693    279.13010    272.77800    268.56133    264.98318 
   263.89021    253.16178    241.60413    240.80778    234.08398    227.54888 
   217.20125    214.90472    213.23442    207.72125    202.96112    195.35922 
   194.87528    191.40450    183.02689    174.42486    172.35924    168.24114 
   163.19233    156.85391    154.95876    152.23870    146.61136    143.31081 
   138.14051    135.87282    130.26844    128.85887    126.91689    123.97140 
   120.02827    118.17945    116.79865    110.38523    106.81181    104.47367 
   102.86241     99.50608     96.07198     94.08245     91.93151     91.25085 
    88.37222     85.63643     80.84248     80.56349     77.93624     73.26578 
    72.50356     67.88971     64.71276     61.30870     59.81265     59.40902 
    58.13273     55.85348     52.43628     51.99536     50.29527     46.11922 
    43.39306     40.92674     37.86390     36.17595     32.23384     28.93253 
    28.45821     26.32540     23.32369     21.34947     19.84514     16.44638 
    13.91418     12.24526     10.08420      9.20326      5.76316      3.14091 
overlap for current and previous eigenvector    109 is         0.9999999897
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999541
overlap for current and previous eigenvector    112 is         0.9999999267
overlap for current and previous eigenvector    113 is         0.9999999448
overlap for current and previous eigenvector    114 is         0.9999999712
J1,K1,R1,R2,RAT=   7   7   -0.1241738145E-01     2.012407613        0.9875826186    
FOB,PFOB,DIAG,PSTEP=   -0.1732429756E-06   -0.1711181262E-06     747.0269286        0.2290666580E-09
J1,K1,R1,R2,RAT=   8   8    0.4697033523E-01     1.953033247        0.9530296648    
FOB,PFOB,DIAG,PSTEP=   -0.3980558173E-06   -0.4176740734E-06     673.9351070        0.6197530311E-09
J1,K1,R1,R2,RAT=   9   9    0.5190532441E-01     1.948085861        0.9480858613    
FOB,PFOB,DIAG,PSTEP=   -0.6970733381E-06   -0.7352361786E-06     630.9564448        0.1165277612E-08
J1,K1,R1,R2,RAT=  10  10    0.5113382072         1.488669153        0.4886617928    
FOB,PFOB,DIAG,PSTEP=   -0.2623073707E-07   -0.5367850822E-07     600.5163018        0.8938693340E-10
J1,K1,R1,R2,RAT=  11  11     17.27202060        -15.27201911         14.27201911    
FOB,PFOB,DIAG,PSTEP=   -0.2584087606E-08    0.1588057018E-09     586.3202466       -0.2708512700E-12
J1,K1,R1,R2,RAT= 109 109    0.4266151036E-01     1.957330095        0.9573300948    
FOB,PFOB,DIAG,PSTEP=   -0.4977524051E-05   -0.5199336531E-05     13.91418213        0.3736733002E-06
J1,K1,R1,R2,RAT= 110 110    0.1517544999         1.848241727        0.8482417270    
FOB,PFOB,DIAG,PSTEP=    0.8805432023E-05    0.1038076240E-04     12.24526374       -0.8477385381E-06
J1,K1,R1,R2,RAT= 111 111    0.1994323468         1.800579495        0.8005676532    
FOB,PFOB,DIAG,PSTEP=    0.2754582261E-05    0.3440781284E-05     10.08419741       -0.3412032484E-06
J1,K1,R1,R2,RAT= 112 112    0.4513170998         636.0568084        0.5486829002    
FOB,PFOB,DIAG,PSTEP=   -0.2924820619E-01   -0.2928974207E-01     9.203257868        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8503971692         1865.915935        0.1496028308    
FOB,PFOB,DIAG,PSTEP=    0.1045198988        0.1044246716         5.763162338       -0.1943023993E-04
J1,K1,R1,R2,RAT= 114 114    0.1947278836        -58198.04837        0.8052721164    
FOB,PFOB,DIAG,PSTEP=    0.9139779409        0.9139718246         3.140912482        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00000      0.00001      0.00000     -0.02925      0.10452      0.91398 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3804489016
 Log product of positive Hessian eigenvalues =          519.0781563524
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1409124822
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000060
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=       -0.0000000021
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=       -0.0000000059
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=       -0.0000000156
 Unscaled step for mode   64=        0.0000000010
 Unscaled step for mode   65=        0.0000000093
 Unscaled step for mode   66=       -0.0000000053
 Unscaled step for mode   67=        0.0000000151
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000116
 Unscaled step for mode   71=       -0.0000000064
 Unscaled step for mode   72=        0.0000000099
 Unscaled step for mode   73=       -0.0000000011
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=       -0.0000000020
 Unscaled step for mode   76=       -0.0000000014
 Unscaled step for mode   77=        0.0000000169
 Unscaled step for mode   78=       -0.0000000082
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=       -0.0000000065
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=       -0.0000000145
 Unscaled step for mode   83=       -0.0000000028
 Unscaled step for mode   84=        0.0000000034
 Unscaled step for mode   85=       -0.0000000270
 Unscaled step for mode   86=       -0.0000000069
 Unscaled step for mode   87=       -0.0000000119
 Unscaled step for mode   88=        0.0000000159
 Unscaled step for mode   89=        0.0000000314
 Unscaled step for mode   90=       -0.0000000382
 Unscaled step for mode   91=        0.0000000446
 Unscaled step for mode   92=        0.0000000642
 Unscaled step for mode   93=       -0.0000000622
 Unscaled step for mode   94=       -0.0000000124
 Unscaled step for mode   95=       -0.0000000379
 Unscaled step for mode   96=        0.0000000239
 Unscaled step for mode   97=        0.0000000644
 Unscaled step for mode   98=       -0.0000000113
 Unscaled step for mode   99=        0.0000000472
 Unscaled step for mode  100=        0.0000000408
 Unscaled step for mode  101=       -0.0000003264
 Unscaled step for mode  102=       -0.0000000034
 Unscaled step for mode  103=       -0.0000000851
 Unscaled step for mode  104=       -0.0000000350
 Unscaled step for mode  105=       -0.0000002629
 Unscaled step for mode  106=        0.0000002223
 Unscaled step for mode  107=       -0.0000010389
 Unscaled step for mode  108=        0.0000013942
 Unscaled step for mode  109=        0.0000003577
 Unscaled step for mode  110=       -0.0000007191
 Unscaled step for mode  111=       -0.0000002732
 Unscaled step for mode  112=        0.0031779954
 Unscaled step for mode  113=       -0.0181298977
 Unscaled step for mode  114=        0.2698080995
 Largest modulus ratio of non-zero e/values=           237.8375497    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.124011E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.217892E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.364617E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.114510E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.546872E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.435978E-14    0.974326E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173243E-06    0.747027E+03  0.231910E-09 0.100000E-04    0.987583E+00
   8   -0.398056E-06    0.673935E+03  0.590644E-09 0.100000E-04    0.953030E+00
   9   -0.697073E-06    0.630956E+03  0.110479E-08 0.100000E-04    0.948086E+00
  10   -0.262307E-07    0.600516E+03  0.436803E-10 0.100000E-04    0.488662E+00
  11   -0.258409E-08    0.586320E+03  0.440730E-11 0.100000E-04    0.142720E+02
  12   -0.995103E-06    0.578903E+03  0.171895E-08 0.100000E-04    0.945050E+00
  13    0.482759E-07    0.564538E+03 -0.855139E-10 0.100000E-04    0.902869E+00
  14    0.409654E-06    0.487420E+03 -0.840454E-09 0.100000E-04    0.933328E+00
  15   -0.425459E-06    0.460490E+03  0.923927E-09 0.100000E-04    0.940429E+00
  16   -0.119905E-06    0.459723E+03  0.260821E-09 0.100000E-04    0.816821E+00
  17   -0.582148E-06    0.441613E+03  0.131823E-08 0.100000E-04    0.910793E+00
  18   -0.389962E-06    0.429501E+03  0.907942E-09 0.100000E-04    0.933134E+00
  19   -0.162879E-06    0.421847E+03  0.386108E-09 0.100000E-04    0.682551E+00
  20   -0.351338E-06    0.407796E+03  0.861554E-09 0.100000E-04    0.924638E+00
  21   -0.407867E-06    0.396285E+03  0.102923E-08 0.100000E-04    0.920669E+00
  22   -0.620628E-06    0.387337E+03  0.160229E-08 0.100000E-04    0.993464E+00
  23    0.766553E-06    0.370073E+03 -0.207136E-08 0.100000E-04    0.924934E+00
  24   -0.416746E-06    0.360583E+03  0.115576E-08 0.100000E-04    0.981480E+00
  25   -0.970435E-07    0.349279E+03  0.277839E-09 0.100000E-04    0.324534E+00
  26   -0.564910E-07    0.335357E+03  0.168450E-09 0.100000E-04    0.161115E+02
  27    0.360222E-06    0.329383E+03 -0.109362E-08 0.100000E-04    0.891138E+00
  28   -0.380451E-06    0.321807E+03  0.118223E-08 0.100000E-04    0.896201E+00
  29   -0.742667E-07    0.319187E+03  0.232674E-09 0.100000E-04    0.497876E+00
  30   -0.134686E-05    0.309288E+03  0.435472E-08 0.100000E-04    0.960482E+00
  31   -0.102736E-05    0.300764E+03  0.341583E-08 0.100000E-04    0.956633E+00
  32   -0.122767E-05    0.290607E+03  0.422452E-08 0.100000E-04    0.969651E+00
  33   -0.218456E-07    0.279130E+03  0.782631E-10 0.100000E-04    0.296155E+00
  34   -0.467195E-07    0.272778E+03  0.171273E-09 0.100000E-04    0.407736E+01
  35    0.992103E-06    0.268561E+03 -0.369414E-08 0.100000E-04    0.969999E+00
  36    0.120886E-05    0.264983E+03 -0.456201E-08 0.100000E-04    0.985558E+00
  37   -0.484445E-06    0.263890E+03  0.183578E-08 0.100000E-04    0.898973E+00
  38   -0.130067E-06    0.253162E+03  0.513769E-09 0.100000E-04    0.964662E+00
  39   -0.450954E-06    0.241604E+03  0.186650E-08 0.100000E-04    0.892789E+00
  40   -0.118920E-05    0.240808E+03  0.493837E-08 0.100000E-04    0.987070E+00
  41   -0.965237E-06    0.234084E+03  0.412346E-08 0.100000E-04    0.987749E+00
  42   -0.165393E-05    0.227549E+03  0.726846E-08 0.100000E-04    0.964264E+00
  43    0.105828E-07    0.217201E+03 -0.487236E-10 0.100000E-04    0.785624E+00
  44   -0.188553E-05    0.214905E+03  0.877378E-08 0.100000E-04    0.969495E+00
  45    0.723582E-06    0.213234E+03 -0.339336E-08 0.100000E-04    0.981684E+00
  46    0.104665E-05    0.207721E+03 -0.503874E-08 0.100000E-04    0.985633E+00
  47   -0.717072E-06    0.202961E+03  0.353305E-08 0.100000E-04    0.967283E+00
  48   -0.117973E-05    0.195359E+03  0.603878E-08 0.100000E-04    0.926880E+00
  49    0.946069E-06    0.194875E+03 -0.485474E-08 0.100000E-04    0.948654E+00
  50    0.114569E-05    0.191405E+03 -0.598570E-08 0.100000E-04    0.876212E+00
  51    0.208751E-06    0.183027E+03 -0.114055E-08 0.100000E-04    0.862847E+00
  52   -0.594729E-06    0.174425E+03  0.340966E-08 0.100000E-04    0.928644E+00
  53   -0.162341E-06    0.172359E+03  0.941878E-09 0.100000E-04    0.837000E+00
  54    0.217467E-06    0.168241E+03 -0.129259E-08 0.100000E-04    0.930049E+00
  55    0.795550E-06    0.163192E+03 -0.487492E-08 0.100000E-04    0.990062E+00
  56    0.132602E-05    0.156854E+03 -0.845387E-08 0.100000E-04    0.974041E+00
  57    0.326112E-06    0.154959E+03 -0.210451E-08 0.100000E-04    0.833678E+00
  58   -0.909219E-06    0.152239E+03  0.597233E-08 0.100000E-04    0.997617E+00
  59    0.604724E-06    0.146611E+03 -0.412467E-08 0.100000E-04    0.997839E+00
  60   -0.161304E-06    0.143311E+03  0.112556E-08 0.100000E-04    0.730773E+00
  61    0.808820E-06    0.138141E+03 -0.585505E-08 0.100000E-04    0.815265E+00
  62   -0.923174E-06    0.135873E+03  0.679439E-08 0.100000E-04    0.969398E+00
  63    0.202872E-05    0.130268E+03 -0.155734E-07 0.100000E-04    0.917165E+00
  64   -0.129430E-06    0.128859E+03  0.100443E-08 0.100000E-04    0.530918E+00
  65   -0.118433E-05    0.126917E+03  0.933155E-08 0.100000E-04    0.883282E+00
  66    0.657335E-06    0.123971E+03 -0.530231E-08 0.100000E-04    0.888742E+00
  67   -0.181152E-05    0.120028E+03  0.150925E-07 0.100000E-04    0.961546E+00
  68    0.429430E-06    0.118179E+03 -0.363371E-08 0.100000E-04    0.931880E+00
  69   -0.321054E-08    0.116799E+03  0.274878E-10 0.114567E-04    0.596503E-01
  70    0.127497E-05    0.110385E+03 -0.115502E-07 0.100000E-04    0.945026E+00
  71    0.686513E-06    0.106812E+03 -0.642731E-08 0.100000E-04    0.911399E+00
  72   -0.103439E-05    0.104474E+03  0.990096E-08 0.100000E-04    0.828845E+00
  73    0.108874E-06    0.102862E+03 -0.105844E-08 0.100000E-04    0.728901E+00
  74    0.751334E-07    0.995061E+02 -0.755063E-09 0.100000E-04    0.306244E+00
  75    0.188400E-06    0.960720E+02 -0.196103E-08 0.100000E-04    0.201545E+01
  76    0.131465E-06    0.940825E+02 -0.139734E-08 0.100000E-04    0.842292E+00
  77   -0.155806E-05    0.919315E+02  0.169481E-07 0.100000E-04    0.955750E+00
  78    0.750213E-06    0.912508E+02 -0.822143E-08 0.100000E-04    0.966179E+00
  79    0.755410E-06    0.883722E+02 -0.854805E-08 0.100000E-04    0.981003E+00
  80    0.557661E-06    0.856364E+02 -0.651196E-08 0.100000E-04    0.915673E+00
  81    0.126681E-05    0.808425E+02 -0.156701E-07 0.100000E-04    0.993994E+00
  82    0.116779E-05    0.805635E+02 -0.144952E-07 0.100000E-04    0.928721E+00
  83    0.221378E-06    0.779362E+02 -0.284051E-08 0.100000E-04    0.586912E+00
  84   -0.247770E-06    0.732658E+02  0.338179E-08 0.100000E-04    0.538041E+00
  85    0.195662E-05    0.725036E+02 -0.269866E-07 0.100000E-04    0.887304E+00
  86    0.467219E-06    0.678897E+02 -0.688204E-08 0.100000E-04    0.831103E+00
  87    0.771568E-06    0.647128E+02 -0.119230E-07 0.100000E-04    0.782638E+00
  88   -0.972848E-06    0.613087E+02  0.158680E-07 0.100000E-04    0.942476E+00
  89   -0.187608E-05    0.598126E+02  0.313659E-07 0.100000E-04    0.946274E+00
  90    0.227050E-05    0.594090E+02 -0.382181E-07 0.100000E-04    0.974781E+00
  91   -0.259018E-05    0.581327E+02  0.445564E-07 0.100000E-04    0.916060E+00
  92   -0.358371E-05    0.558535E+02  0.641627E-07 0.100000E-04    0.946512E+00
  93    0.326057E-05    0.524363E+02 -0.621816E-07 0.100000E-04    0.981925E+00
  94    0.642604E-06    0.519954E+02 -0.123589E-07 0.100000E-04    0.788430E+00
  95    0.190528E-05    0.502953E+02 -0.378820E-07 0.100000E-04    0.885224E+00
  96   -0.110231E-05    0.461192E+02  0.239013E-07 0.100000E-04    0.918524E+00
  97   -0.279484E-05    0.433931E+02  0.644076E-07 0.100000E-04    0.879572E+00
  98    0.462678E-06    0.409267E+02 -0.113050E-07 0.100000E-04    0.639980E+00
  99   -0.178894E-05    0.378639E+02  0.472466E-07 0.100000E-04    0.804234E+00
 100   -0.147737E-05    0.361759E+02  0.408383E-07 0.100000E-04    0.887647E+00
 101    0.105211E-04    0.322338E+02 -0.326401E-06 0.100000E-04    0.937928E+00
 102    0.986466E-07    0.289325E+02 -0.340954E-08 0.100000E-04    0.255808E+00
 103    0.242131E-05    0.284582E+02 -0.850829E-07 0.100000E-04    0.959944E+00
 104    0.920568E-06    0.263254E+02 -0.349688E-07 0.100000E-04    0.288565E+00
 105    0.613262E-05    0.233237E+02 -0.262935E-06 0.100000E-04    0.926608E+00
 106   -0.474515E-05    0.213495E+02  0.222261E-06 0.100000E-04    0.964704E+00
 107    0.206161E-04    0.198451E+02 -0.103885E-05 0.100000E-04    0.918901E+00
 108   -0.229303E-04    0.164464E+02  0.139425E-05 0.100000E-04    0.928662E+00
 109   -0.497752E-05    0.139142E+02  0.357730E-06 0.100000E-04    0.957330E+00
 110    0.880543E-05    0.122453E+02 -0.719089E-06 0.100000E-04    0.848242E+00
 111    0.275458E-05    0.100842E+02 -0.273158E-06 0.100000E-04    0.800568E+00
 112   -0.292482E-01    0.920326E+01  0.100000E-04 0.100000E-04    0.548683E+00
 113    0.104520E+00    0.576316E+01 -0.211790E-04 0.211790E-04    0.149603E+00
 114    0.913978E+00    0.314091E+01  0.100000E-04 0.100000E-04    0.805272E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2117896153E-04    0.2698080995    

 Beginning of optimization cycle  699.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988267200
 potential> RMS force:                                               0.0862046761   |gradient|=.9204140719    
 Eigenvalues of the Hessian matrix:
   747.03065    673.93370    630.95931    600.51412    586.31975    578.90316 
   564.53398    487.41977    460.48863    459.72237    441.61258    429.50242 
   421.84633    407.79403    396.28406    387.33605    370.07337    360.58347 
   349.27871    335.35747    329.38428    321.80686    319.18814    309.28654 
   300.76380    290.60701    279.13160    272.77847    268.56163    264.98350 
   263.89079    253.16123    241.60455    240.80808    234.08478    227.54922 
   217.20203    214.90485    213.23415    207.72175    202.96072    195.35843 
   194.87566    191.40495    183.02764    174.42560    172.35949    168.24142 
   163.19202    156.85370    154.95927    152.23852    146.61079    143.31039 
   138.14102    135.87281    130.26819    128.85907    126.91708    123.97027 
   120.02845    118.17956    116.79821    110.38547    106.81166    104.47388 
   102.86249     99.50601     96.07177     94.08222     91.93112     91.25106 
    88.37172     85.63673     80.84258     80.56415     77.93602     73.26555 
    72.50297     67.88938     64.71233     61.30829     59.81236     59.40910 
    58.13270     55.85324     52.43617     51.99498     50.29586     46.11879 
    43.39363     40.92685     37.86385     36.17557     32.23347     28.93286 
    28.45828     26.32569     23.32359     21.34971     19.84506     16.44627 
    13.91424     12.24529     10.08414      9.20477      5.76333      3.14059 
overlap for current and previous eigenvector    109 is        -0.9999999884
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is        -0.9999999464
overlap for current and previous eigenvector    112 is        -0.9999999162
overlap for current and previous eigenvector    113 is        -0.9999999391
overlap for current and previous eigenvector    114 is        -0.9999999678
J1,K1,R1,R2,RAT=   7   7    0.4854735308E-02     1.995135295        0.9951352954    
FOB,PFOB,DIAG,PSTEP=   -0.1724019226E-06   -0.1732429756E-06     747.0306523        0.2319099473E-09
J1,K1,R1,R2,RAT=   8   8   -0.4034270609E-01     2.040346885        0.9596572939    
FOB,PFOB,DIAG,PSTEP=   -0.4141144326E-06   -0.3980558173E-06     673.9336989        0.5906441335E-09
J1,K1,R1,R2,RAT=   9   9   -0.4424392768E-01     2.044234857        0.9557560723    
FOB,PFOB,DIAG,PSTEP=   -0.7279147403E-06   -0.6970733381E-06     630.9593063        0.1104788364E-08
J1,K1,R1,R2,RAT=  10  10   -0.8866012056         2.886608470        0.1133987944    
FOB,PFOB,DIAG,PSTEP=   -0.4948685572E-07   -0.2623073707E-07     600.5141206        0.4368030809E-10
J1,K1,R1,R2,RAT=  11  11    0.4830001783         1.517001520        0.5169998217    
FOB,PFOB,DIAG,PSTEP=   -0.1335973892E-08   -0.2584087606E-08     586.3197487        0.4407297243E-11
J1,K1,R1,R2,RAT= 109 109     2.038881845       -0.3889041143E-01    0.9611095886    
FOB,PFOB,DIAG,PSTEP=    0.5171102838E-05   -0.4977524051E-05     13.91424172        0.3577302644E-06
J1,K1,R1,R2,RAT= 110 110   -0.1476174178         2.147613558        0.8523825822    
FOB,PFOB,DIAG,PSTEP=    0.1010526967E-04    0.8805432023E-05     12.24528738       -0.7190888010E-06
J1,K1,R1,R2,RAT= 111 111     2.250515416       -0.2505043017        0.7494956983    
FOB,PFOB,DIAG,PSTEP=   -0.3444613132E-05    0.2754582261E-05     10.08414137       -0.2731583040E-06
J1,K1,R1,R2,RAT= 112 112     635.0774179        0.4236560134        0.5763439866    
FOB,PFOB,DIAG,PSTEP=    0.2920920963E-01   -0.2924820619E-01     9.204770028        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1713.374238       -0.7936484828        0.2063515172    
FOB,PFOB,DIAG,PSTEP=   -0.1046167725        0.1045198988         5.763327478       -0.2117896153E-04
J1,K1,R1,R2,RAT= 114 114    -58204.36437        0.1487361985        0.8512638015    
FOB,PFOB,DIAG,PSTEP=   -0.9139826121        0.9139779409         3.140590182        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000      0.02921     -0.10462     -0.91398 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3804281044
 Log product of positive Hessian eigenvalues =          519.0782192502
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1405901822
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000067
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000025
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000015
 Unscaled step for mode   61=        0.0000000070
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=        0.0000000167
 Unscaled step for mode   64=       -0.0000000017
 Unscaled step for mode   65=        0.0000000104
 Unscaled step for mode   66=       -0.0000000059
 Unscaled step for mode   67=        0.0000000156
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=       -0.0000000121
 Unscaled step for mode   71=        0.0000000069
 Unscaled step for mode   72=       -0.0000000087
 Unscaled step for mode   73=        0.0000000014
 Unscaled step for mode   74=        0.0000000004
 Unscaled step for mode   75=       -0.0000000007
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000163
 Unscaled step for mode   78=       -0.0000000084
 Unscaled step for mode   79=       -0.0000000087
 Unscaled step for mode   80=        0.0000000070
 Unscaled step for mode   81=        0.0000000157
 Unscaled step for mode   82=       -0.0000000154
 Unscaled step for mode   83=        0.0000000021
 Unscaled step for mode   84=       -0.0000000058
 Unscaled step for mode   85=       -0.0000000299
 Unscaled step for mode   86=        0.0000000080
 Unscaled step for mode   87=       -0.0000000146
 Unscaled step for mode   88=       -0.0000000150
 Unscaled step for mode   89=       -0.0000000328
 Unscaled step for mode   90=       -0.0000000390
 Unscaled step for mode   91=       -0.0000000476
 Unscaled step for mode   92=        0.0000000670
 Unscaled step for mode   93=       -0.0000000629
 Unscaled step for mode   94=       -0.0000000104
 Unscaled step for mode   95=       -0.0000000421
 Unscaled step for mode   96=        0.0000000254
 Unscaled step for mode   97=       -0.0000000716
 Unscaled step for mode   98=       -0.0000000168
 Unscaled step for mode   99=       -0.0000000568
 Unscaled step for mode  100=       -0.0000000451
 Unscaled step for mode  101=        0.0000003428
 Unscaled step for mode  102=       -0.0000000113
 Unscaled step for mode  103=       -0.0000000881
 Unscaled step for mode  104=       -0.0000000239
 Unscaled step for mode  105=       -0.0000002794
 Unscaled step for mode  106=       -0.0000002284
 Unscaled step for mode  107=        0.0000011113
 Unscaled step for mode  108=        0.0000014788
 Unscaled step for mode  109=       -0.0000003716
 Unscaled step for mode  110=       -0.0000008252
 Unscaled step for mode  111=        0.0000003416
 Unscaled step for mode  112=       -0.0031732369
 Unscaled step for mode  113=        0.0181461707
 Unscaled step for mode  114=       -0.2698332219
 Largest modulus ratio of non-zero e/values=           237.8631432    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.102490E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.208123E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.130290E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.191579E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.151462E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.497662E-14    0.974327E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172402E-06    0.747031E+03  0.230783E-09 0.100000E-04    0.995135E+00
   8   -0.414114E-06    0.673934E+03  0.614474E-09 0.100000E-04    0.959657E+00
   9   -0.727915E-06    0.630959E+03  0.115366E-08 0.100000E-04    0.955756E+00
  10   -0.494869E-07    0.600514E+03  0.824075E-10 0.109000E-04    0.113399E+00
  11   -0.133597E-08    0.586320E+03  0.227858E-11 0.100000E-04    0.517000E+00
  12   -0.104278E-05    0.578903E+03  0.180131E-08 0.100000E-04    0.952084E+00
  13    0.444781E-07    0.564534E+03 -0.787873E-10 0.100000E-04    0.921332E+00
  14    0.434607E-06    0.487420E+03 -0.891649E-09 0.100000E-04    0.939087E+00
  15   -0.447313E-06    0.460489E+03  0.971387E-09 0.100000E-04    0.948635E+00
  16   -0.141995E-06    0.459722E+03  0.308870E-09 0.100000E-04    0.815778E+00
  17   -0.629752E-06    0.441613E+03  0.142603E-08 0.100000E-04    0.918227E+00
  18   -0.412370E-06    0.429502E+03  0.960111E-09 0.100000E-04    0.942539E+00
  19   -0.129928E-06    0.421846E+03  0.307997E-09 0.100000E-04    0.797695E+00
  20   -0.374646E-06    0.407794E+03  0.918715E-09 0.100000E-04    0.933658E+00
  21   -0.436802E-06    0.396284E+03  0.110224E-08 0.100000E-04    0.929059E+00
  22   -0.622463E-06    0.387336E+03  0.160704E-08 0.100000E-04    0.997042E+00
  23    0.818021E-06    0.370073E+03 -0.221043E-08 0.100000E-04    0.932859E+00
  24   -0.422708E-06    0.360583E+03  0.117229E-08 0.100000E-04    0.985695E+00
  25   -0.637360E-07    0.349279E+03  0.182479E-09 0.100000E-04    0.656777E+00
  26   -0.855479E-08    0.335357E+03  0.255095E-10 0.109000E-04    0.151434E+00
  27    0.395327E-06    0.329384E+03 -0.120020E-08 0.100000E-04    0.902546E+00
  28   -0.415438E-06    0.321807E+03  0.129095E-08 0.100000E-04    0.908040E+00
  29   -0.132463E-06    0.319188E+03  0.414999E-09 0.100000E-04    0.216393E+00
  30   -0.138684E-05    0.309287E+03  0.448398E-08 0.100000E-04    0.970320E+00
  31   -0.106469E-05    0.300764E+03  0.353994E-08 0.100000E-04    0.963667E+00
  32   -0.125676E-05    0.290607E+03  0.432459E-08 0.100000E-04    0.976312E+00
  33   -0.642163E-07    0.279132E+03  0.230057E-09 0.100000E-04    0.939543E+00
  34   -0.317890E-08    0.272778E+03  0.116538E-10 0.109000E-04    0.680405E-01
  35    0.101432E-05    0.268562E+03 -0.377684E-08 0.100000E-04    0.977611E+00
  36    0.122188E-05    0.264983E+03 -0.461114E-08 0.100000E-04    0.989228E+00
  37   -0.529821E-06    0.263891E+03  0.200773E-08 0.100000E-04    0.906335E+00
  38   -0.126017E-06    0.253161E+03  0.497776E-09 0.100000E-04    0.968869E+00
  39   -0.416990E-06    0.241605E+03  0.172592E-08 0.100000E-04    0.924679E+00
  40   -0.120006E-05    0.240808E+03  0.498346E-08 0.100000E-04    0.990868E+00
  41   -0.956006E-06    0.234085E+03  0.408402E-08 0.100000E-04    0.990430E+00
  42   -0.169859E-05    0.227549E+03  0.746473E-08 0.100000E-04    0.972995E+00
  43    0.103691E-07    0.217202E+03 -0.477396E-10 0.100000E-04    0.979801E+00
  44   -0.193223E-05    0.214905E+03  0.899108E-08 0.100000E-04    0.975233E+00
  45    0.710482E-06    0.213234E+03 -0.333193E-08 0.100000E-04    0.981896E+00
  46    0.106042E-05    0.207722E+03 -0.510501E-08 0.100000E-04    0.986846E+00
  47   -0.737382E-06    0.202961E+03  0.363313E-08 0.100000E-04    0.971676E+00
  48   -0.125219E-05    0.195358E+03  0.640971E-08 0.100000E-04    0.938579E+00
  49    0.989232E-06    0.194876E+03 -0.507622E-08 0.100000E-04    0.954377E+00
  50    0.127707E-05    0.191405E+03 -0.667206E-08 0.100000E-04    0.885331E+00
  51    0.235417E-06    0.183028E+03 -0.128624E-08 0.100000E-04    0.872258E+00
  52   -0.630559E-06    0.174426E+03  0.361506E-08 0.100000E-04    0.939755E+00
  53   -0.144137E-06    0.172359E+03  0.836257E-09 0.100000E-04    0.887859E+00
  54   -0.205007E-06    0.168241E+03  0.121853E-08 0.100000E-04    0.942703E+00
  55    0.784749E-06    0.163192E+03 -0.480875E-08 0.100000E-04    0.986424E+00
  56    0.135452E-05    0.156854E+03 -0.863559E-08 0.100000E-04    0.978507E+00
  57   -0.381733E-06    0.154959E+03  0.246344E-08 0.100000E-04    0.829441E+00
  58   -0.904244E-06    0.152239E+03  0.593965E-08 0.100000E-04    0.994528E+00
  59   -0.601532E-06    0.146611E+03  0.410292E-08 0.100000E-04    0.994722E+00
  60    0.212127E-06    0.143310E+03 -0.148020E-08 0.100000E-04    0.684924E+00
  61   -0.960458E-06    0.138141E+03  0.695274E-08 0.100000E-04    0.812520E+00
  62    0.944699E-06    0.135873E+03 -0.695282E-08 0.100000E-04    0.976683E+00
  63   -0.217609E-05    0.130268E+03  0.167047E-07 0.100000E-04    0.927361E+00
  64    0.221980E-06    0.128859E+03 -0.172266E-08 0.100000E-04    0.284940E+00
  65   -0.131501E-05    0.126917E+03  0.103612E-07 0.100000E-04    0.889662E+00
  66    0.727288E-06    0.123970E+03 -0.586663E-08 0.100000E-04    0.893580E+00
  67   -0.186878E-05    0.120028E+03  0.155695E-07 0.100000E-04    0.968395E+00
  68    0.455103E-06    0.118180E+03 -0.385095E-08 0.100000E-04    0.940215E+00
  69   -0.476047E-07    0.116798E+03  0.407581E-09 0.103214E-04    0.128277E+02
  70    0.133474E-05    0.110385E+03 -0.120916E-07 0.100000E-04    0.953117E+00
  71   -0.741625E-06    0.106812E+03  0.694330E-08 0.100000E-04    0.919721E+00
  72    0.909975E-06    0.104474E+03 -0.871007E-08 0.100000E-04    0.879718E+00
  73   -0.141575E-06    0.102862E+03  0.137635E-08 0.100000E-04    0.699645E+00
  74   -0.377639E-07    0.995060E+02  0.379514E-09 0.100000E-04    0.502625E+00
  75    0.688089E-07    0.960718E+02 -0.716223E-09 0.100000E-04    0.365226E+00
  76    0.150178E-06    0.940822E+02 -0.159625E-08 0.100000E-04    0.857655E+00
  77   -0.150077E-05    0.919311E+02  0.163249E-07 0.100000E-04    0.963227E+00
  78    0.768111E-06    0.912511E+02 -0.841756E-08 0.100000E-04    0.976142E+00
  79    0.764512E-06    0.883717E+02 -0.865109E-08 0.100000E-04    0.987951E+00
  80   -0.601316E-06    0.856367E+02  0.702171E-08 0.100000E-04    0.921718E+00
  81   -0.127010E-05    0.808426E+02  0.157108E-07 0.100000E-04    0.997402E+00
  82    0.124036E-05    0.805642E+02 -0.153959E-07 0.100000E-04    0.937853E+00
  83   -0.167072E-06    0.779360E+02  0.214371E-08 0.100000E-04    0.754691E+00
  84    0.422787E-06    0.732656E+02 -0.577061E-08 0.100000E-04    0.293627E+00
  85    0.216659E-05    0.725030E+02 -0.298828E-07 0.100000E-04    0.892687E+00
  86   -0.543827E-06    0.678894E+02  0.801048E-08 0.100000E-04    0.836035E+00
  87    0.943888E-06    0.647123E+02 -0.145859E-07 0.100000E-04    0.776662E+00
  88    0.922328E-06    0.613083E+02 -0.150441E-07 0.100000E-04    0.948070E+00
  89    0.196482E-05    0.598124E+02 -0.328497E-07 0.100000E-04    0.952698E+00
  90    0.231404E-05    0.594091E+02 -0.389509E-07 0.100000E-04    0.980825E+00
  91    0.276439E-05    0.581327E+02 -0.475531E-07 0.100000E-04    0.932743E+00
  92   -0.373965E-05    0.558532E+02  0.669549E-07 0.100000E-04    0.956488E+00
  93    0.329821E-05    0.524362E+02 -0.628994E-07 0.100000E-04    0.988458E+00
  94    0.542498E-06    0.519950E+02 -0.104337E-07 0.100000E-04    0.844217E+00
  95    0.211722E-05    0.502959E+02 -0.420953E-07 0.100000E-04    0.888766E+00
  96   -0.116985E-05    0.461188E+02  0.253660E-07 0.100000E-04    0.938730E+00
  97    0.310649E-05    0.433936E+02 -0.715886E-07 0.100000E-04    0.888494E+00
  98    0.686979E-06    0.409269E+02 -0.167855E-07 0.100000E-04    0.515212E+00
  99    0.215216E-05    0.378638E+02 -0.568395E-07 0.100000E-04    0.796964E+00
 100    0.163048E-05    0.361756E+02 -0.450712E-07 0.100000E-04    0.896361E+00
 101   -0.110504E-04    0.322335E+02  0.342824E-06 0.100000E-04    0.949694E+00
 102    0.327999E-06    0.289329E+02 -0.113366E-07 0.100000E-04    0.132497E+01
 103    0.250669E-05    0.284583E+02 -0.880829E-07 0.100000E-04    0.964737E+00
 104    0.629436E-06    0.263257E+02 -0.239096E-07 0.100000E-04    0.683728E+00
 105    0.651637E-05    0.233236E+02 -0.279390E-06 0.100000E-04    0.937424E+00
 106    0.487603E-05    0.213497E+02 -0.228388E-06 0.100000E-04    0.972418E+00
 107   -0.220547E-04    0.198451E+02  0.111134E-05 0.100000E-04    0.930223E+00
 108   -0.243213E-04    0.164463E+02  0.147884E-05 0.100000E-04    0.939338E+00
 109    0.517110E-05    0.139142E+02 -0.371641E-06 0.100000E-04    0.961110E+00
 110    0.101053E-04    0.122453E+02 -0.825237E-06 0.100000E-04    0.852383E+00
 111   -0.344461E-05    0.100841E+02  0.341587E-06 0.100000E-04    0.749496E+00
 112    0.292092E-01    0.920477E+01 -0.100000E-04 0.100000E-04    0.576344E+00
 113   -0.104617E+00    0.576333E+01  0.190801E-04 0.190801E-04    0.206352E+00
 114   -0.913983E+00    0.314059E+01 -0.100000E-04 0.100000E-04    0.851264E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1908014552E-04    0.2698332219    

 Beginning of optimization cycle  700.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988198667
 potential> RMS force:                                               0.0862061528   |gradient|=.9204298396    
 Eigenvalues of the Hessian matrix:
   747.03427    673.93252    630.96206    600.51192    586.31932    578.90321 
   564.53015    487.41947    460.48741    459.72186    441.61210    429.50357 
   421.84571    407.79252    396.28352    387.33469    370.07381    360.58361 
   349.27799    335.35807    329.38508    321.80664    319.18871    309.28544 
   300.76322    290.60707    279.13297    272.77890    268.56186    264.98379 
   263.89129    253.16064    241.60487    240.80837    234.08549    227.54949 
   217.20272    214.90498    213.23388    207.72221    202.96034    195.35766 
   194.87598    191.40538    183.02832    174.42629    172.35972    168.24167 
   163.19172    156.85349    154.95975    152.23835    146.61025    143.31003 
   138.14151    135.87280    130.26798    128.85926    126.91729    123.96923 
   120.02863    118.17969    116.79782    110.38570    106.81153    104.47409 
   102.86257     99.50595     96.07159     94.08201     91.93072     91.25125 
    88.37123     85.63700     80.84266     80.56477     77.93580     73.26538 
    72.50245     67.88911     64.71193     61.30788     59.81208     59.40919 
    58.13268     55.85303     52.43608     51.99464     50.29641     46.11841 
    43.39417     40.92697     37.86383     36.17528     32.23312     28.93318 
    28.45833     26.32597     23.32348     21.34997     19.84496     16.44618 
    13.91430     12.24531     10.08408      9.20619      5.76347      3.14028 
overlap for current and previous eigenvector    109 is         0.9999999899
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999547
overlap for current and previous eigenvector    112 is         0.9999999280
overlap for current and previous eigenvector    113 is         0.9999999462
overlap for current and previous eigenvector    114 is         0.9999999720
J1,K1,R1,R2,RAT=   7   7   -0.1220868863E-01     2.012199004        0.9877913114    
FOB,PFOB,DIAG,PSTEP=   -0.1745067342E-06   -0.1724019226E-06     747.0342695        0.2307829299E-09
J1,K1,R1,R2,RAT=   8   8    0.4651105735E-01     1.953492449        0.9534889426    
FOB,PFOB,DIAG,PSTEP=   -0.3948535662E-06   -0.4141144326E-06     673.9325175        0.6144735502E-09
J1,K1,R1,R2,RAT=   9   9    0.5141786122E-01     1.948573404        0.9485734042    
FOB,PFOB,DIAG,PSTEP=   -0.6904867578E-06   -0.7279147403E-06     630.9620619        0.1153663530E-08
J1,K1,R1,R2,RAT=  10  10    0.5454176891         1.454589657        0.4545823109    
FOB,PFOB,DIAG,PSTEP=   -0.2249594836E-07   -0.4948685572E-07     600.5119150        0.8240748055E-10
J1,K1,R1,R2,RAT=  11  11    -1.994054526         3.994055974        0.9940545263    
FOB,PFOB,DIAG,PSTEP=   -0.3999976750E-08   -0.1335973892E-08     586.3193244        0.2278575632E-11
J1,K1,R1,R2,RAT= 109 109    0.4193897374E-01     1.958052614        0.9580526144    
FOB,PFOB,DIAG,PSTEP=    0.4954231180E-05    0.5171102838E-05     13.91430025       -0.3716410093E-06
J1,K1,R1,R2,RAT= 110 110    0.1531186990         1.846877429        0.8468774290    
FOB,PFOB,DIAG,PSTEP=    0.8557960930E-05    0.1010526967E-04     12.24531108       -0.8252374452E-06
J1,K1,R1,R2,RAT= 111 111    0.1968930133         1.803118737        0.8031069867    
FOB,PFOB,DIAG,PSTEP=   -0.2766396858E-05   -0.3444613132E-05     10.08408212        0.3415871522E-06
J1,K1,R1,R2,RAT= 112 112    0.4573328258         634.0984987        0.5426671742    
FOB,PFOB,DIAG,PSTEP=    0.2916710670E-01    0.2920920963E-01     9.206190591       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8562194014         1903.534471        0.1437805986    
FOB,PFOB,DIAG,PSTEP=   -0.1047109292       -0.1046167725         5.763473182        0.1908014552E-04
J1,K1,R1,R2,RAT= 114 114    0.2051144008        -58210.46071        0.7948855992    
FOB,PFOB,DIAG,PSTEP=   -0.9139890532       -0.9139826121         3.140280360       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00002 
     0.00000      0.00001     -0.00000      0.02917     -0.10471     -0.91399 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3804056176
 Log product of positive Hessian eigenvalues =          519.0782773146
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1402803604
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000008
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000087
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000058
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000010
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=       -0.0000000084
 Unscaled step for mode   57=        0.0000000021
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000011
 Unscaled step for mode   61=        0.0000000056
 Unscaled step for mode   62=       -0.0000000067
 Unscaled step for mode   63=        0.0000000153
 Unscaled step for mode   64=       -0.0000000008
 Unscaled step for mode   65=        0.0000000092
 Unscaled step for mode   66=       -0.0000000052
 Unscaled step for mode   67=        0.0000000150
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000114
 Unscaled step for mode   71=        0.0000000063
 Unscaled step for mode   72=       -0.0000000101
 Unscaled step for mode   73=        0.0000000010
 Unscaled step for mode   74=        0.0000000008
 Unscaled step for mode   75=       -0.0000000022
 Unscaled step for mode   76=       -0.0000000013
 Unscaled step for mode   77=       -0.0000000170
 Unscaled step for mode   78=       -0.0000000081
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=        0.0000000156
 Unscaled step for mode   82=       -0.0000000143
 Unscaled step for mode   83=        0.0000000030
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000265
 Unscaled step for mode   86=        0.0000000066
 Unscaled step for mode   87=       -0.0000000113
 Unscaled step for mode   88=       -0.0000000159
 Unscaled step for mode   89=       -0.0000000311
 Unscaled step for mode   90=       -0.0000000380
 Unscaled step for mode   91=       -0.0000000435
 Unscaled step for mode   92=        0.0000000634
 Unscaled step for mode   93=       -0.0000000618
 Unscaled step for mode   94=       -0.0000000126
 Unscaled step for mode   95=       -0.0000000373
 Unscaled step for mode   96=        0.0000000233
 Unscaled step for mode   97=       -0.0000000629
 Unscaled step for mode   98=       -0.0000000105
 Unscaled step for mode   99=       -0.0000000455
 Unscaled step for mode  100=       -0.0000000400
 Unscaled step for mode  101=        0.0000003216
 Unscaled step for mode  102=       -0.0000000016
 Unscaled step for mode  103=       -0.0000000846
 Unscaled step for mode  104=       -0.0000000382
 Unscaled step for mode  105=       -0.0000002589
 Unscaled step for mode  106=       -0.0000002204
 Unscaled step for mode  107=        0.0000010213
 Unscaled step for mode  108=        0.0000013736
 Unscaled step for mode  109=       -0.0000003561
 Unscaled step for mode  110=       -0.0000006989
 Unscaled step for mode  111=        0.0000002743
 Unscaled step for mode  112=       -0.0031681740
 Unscaled step for mode  113=        0.0181620329
 Unscaled step for mode  114=       -0.2698578734
 Largest modulus ratio of non-zero e/values=           237.8877628    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.770326E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.247897E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.770976E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.526780E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.480378E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.417832E-14    0.974327E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174507E-06    0.747034E+03  0.233599E-09 0.100000E-04    0.987791E+00
   8   -0.394854E-06    0.673933E+03  0.585895E-09 0.100000E-04    0.953489E+00
   9   -0.690487E-06    0.630962E+03  0.109434E-08 0.100000E-04    0.948573E+00
  10   -0.224959E-07    0.600512E+03  0.374613E-10 0.100000E-04    0.454582E+00
  11   -0.399998E-08    0.586319E+03  0.682218E-11 0.100000E-04    0.994055E+00
  12   -0.986019E-06    0.578903E+03  0.170325E-08 0.100000E-04    0.945563E+00
  13    0.486903E-07    0.564530E+03 -0.862492E-10 0.100000E-04    0.905297E+00
  14    0.405888E-06    0.487419E+03 -0.832728E-09 0.100000E-04    0.933919E+00
  15   -0.420850E-06    0.460487E+03  0.913924E-09 0.100000E-04    0.940841E+00
  16   -0.115579E-06    0.459722E+03  0.251410E-09 0.100000E-04    0.813965E+00
  17   -0.573758E-06    0.441612E+03  0.129924E-08 0.100000E-04    0.911086E+00
  18   -0.384943E-06    0.429504E+03  0.896252E-09 0.100000E-04    0.933486E+00
  19   -0.168529E-06    0.421846E+03  0.399504E-09 0.100000E-04    0.702900E+00
  20   -0.346551E-06    0.407793E+03  0.849822E-09 0.100000E-04    0.925008E+00
  21   -0.402289E-06    0.396284E+03  0.101515E-08 0.100000E-04    0.920987E+00
  22   -0.618511E-06    0.387335E+03  0.159684E-08 0.100000E-04    0.993651E+00
  23    0.756965E-06    0.370074E+03 -0.204544E-08 0.100000E-04    0.925359E+00
  24   -0.415036E-06    0.360584E+03  0.115101E-08 0.100000E-04    0.981851E+00
  25   -0.102199E-06    0.349278E+03  0.292602E-09 0.100000E-04    0.396519E+00
  26   -0.671922E-07    0.335358E+03  0.200360E-09 0.100000E-04    0.585433E+01
  27    0.352109E-06    0.329385E+03 -0.106899E-08 0.100000E-04    0.890673E+00
  28   -0.372150E-06    0.321807E+03  0.115644E-08 0.100000E-04    0.895801E+00
  29   -0.588084E-07    0.319189E+03  0.184243E-09 0.100000E-04    0.443959E+00
  30   -0.133244E-05    0.309285E+03  0.430813E-08 0.100000E-04    0.960778E+00
  31   -0.101900E-05    0.300763E+03  0.338804E-08 0.100000E-04    0.957089E+00
  32   -0.121908E-05    0.290607E+03  0.419493E-08 0.100000E-04    0.970019E+00
  33   -0.131488E-07    0.279133E+03  0.471060E-10 0.100000E-04    0.204753E+00
  34   -0.567097E-07    0.272779E+03  0.207896E-09 0.100000E-04    0.158394E+02
  35    0.984240E-06    0.268562E+03 -0.366485E-08 0.100000E-04    0.970347E+00
  36    0.120461E-05    0.264984E+03 -0.454596E-08 0.100000E-04    0.985863E+00
  37   -0.476357E-06    0.263891E+03  0.180513E-08 0.100000E-04    0.899088E+00
  38   -0.130417E-06    0.253161E+03  0.515157E-09 0.100000E-04    0.965084E+00
  39   -0.459948E-06    0.241605E+03  0.190372E-08 0.100000E-04    0.896979E+00
  40   -0.118483E-05    0.240808E+03  0.492021E-08 0.100000E-04    0.987307E+00
  41   -0.967590E-06    0.234085E+03  0.413349E-08 0.100000E-04    0.987882E+00
  42   -0.163850E-05    0.227549E+03  0.720063E-08 0.100000E-04    0.964618E+00
  43    0.121747E-07    0.217203E+03 -0.560523E-10 0.100000E-04    0.825870E+00
  44   -0.187412E-05    0.214905E+03  0.872069E-08 0.100000E-04    0.969927E+00
  45    0.723332E-06    0.213234E+03 -0.339220E-08 0.100000E-04    0.981914E+00
  46    0.104552E-05    0.207722E+03 -0.503328E-08 0.100000E-04    0.985947E+00
  47   -0.713624E-06    0.202960E+03  0.351608E-08 0.100000E-04    0.967781E+00
  48   -0.116077E-05    0.195358E+03  0.594178E-08 0.100000E-04    0.926992E+00
  49    0.938898E-06    0.194876E+03 -0.481793E-08 0.100000E-04    0.949115E+00
  50    0.111818E-05    0.191405E+03 -0.584193E-08 0.100000E-04    0.875579E+00
  51    0.202814E-06    0.183028E+03 -0.110810E-08 0.100000E-04    0.861500E+00
  52   -0.585672E-06    0.174426E+03  0.335771E-08 0.100000E-04    0.928808E+00
  53   -0.166461E-06    0.172360E+03  0.965776E-09 0.100000E-04    0.845119E+00
  54   -0.218990E-06    0.168242E+03  0.130164E-08 0.100000E-04    0.931796E+00
  55    0.792567E-06    0.163192E+03 -0.485666E-08 0.100000E-04    0.990038E+00
  56    0.131992E-05    0.156853E+03 -0.841496E-08 0.100000E-04    0.974451E+00
  57   -0.317846E-06    0.154960E+03  0.205115E-08 0.100000E-04    0.832633E+00
  58   -0.906428E-06    0.152238E+03  0.595401E-08 0.100000E-04    0.997584E+00
  59   -0.602898E-06    0.146610E+03  0.411225E-08 0.100000E-04    0.997729E+00
  60    0.153736E-06    0.143310E+03 -0.107275E-08 0.100000E-04    0.724735E+00
  61   -0.780426E-06    0.138142E+03  0.564947E-08 0.100000E-04    0.812550E+00
  62    0.916103E-06    0.135873E+03 -0.674236E-08 0.100000E-04    0.969730E+00
  63   -0.199608E-05    0.130268E+03  0.153229E-07 0.100000E-04    0.917278E+00
  64    0.109479E-06    0.128859E+03 -0.849600E-09 0.100000E-04    0.493190E+00
  65   -0.116138E-05    0.126917E+03  0.915069E-08 0.100000E-04    0.883170E+00
  66    0.646394E-06    0.123969E+03 -0.521415E-08 0.100000E-04    0.888772E+00
  67   -0.179777E-05    0.120029E+03  0.149779E-07 0.100000E-04    0.962003E+00
  68    0.424314E-06    0.118180E+03 -0.359041E-08 0.100000E-04    0.932345E+00
  69    0.840901E-08    0.116798E+03 -0.719963E-10 0.112503E-04    0.176640E+00
  70    0.126202E-05    0.110386E+03 -0.114328E-07 0.100000E-04    0.945515E+00
  71   -0.675935E-06    0.106812E+03  0.632829E-08 0.100000E-04    0.911423E+00
  72    0.105867E-05    0.104474E+03 -0.101333E-07 0.100000E-04    0.836600E+00
  73   -0.101889E-06    0.102863E+03  0.990538E-09 0.100000E-04    0.719684E+00
  74   -0.795310E-07    0.995059E+02  0.799259E-09 0.109000E-04    0.106005E+00
  75    0.207908E-06    0.960716E+02 -0.216409E-08 0.100000E-04    0.102153E+01
  76    0.126166E-06    0.940820E+02 -0.134102E-08 0.100000E-04    0.840108E+00
  77    0.156576E-05    0.919307E+02 -0.170319E-07 0.100000E-04    0.956697E+00
  78    0.742357E-06    0.912512E+02 -0.813531E-08 0.100000E-04    0.966467E+00
  79    0.750115E-06    0.883712E+02 -0.848823E-08 0.100000E-04    0.981169E+00
  80   -0.550774E-06    0.856370E+02  0.643150E-08 0.100000E-04    0.915942E+00
  81   -0.126268E-05    0.808427E+02  0.156189E-07 0.100000E-04    0.994150E+00
  82    0.115233E-05    0.805648E+02 -0.143032E-07 0.100000E-04    0.929016E+00
  83   -0.230864E-06    0.779358E+02  0.296224E-08 0.100000E-04    0.618176E+00
  84    0.213900E-06    0.732654E+02 -0.291952E-08 0.100000E-04    0.505926E+00
  85    0.192239E-05    0.725025E+02 -0.265149E-07 0.100000E-04    0.887288E+00
  86   -0.450635E-06    0.678891E+02  0.663781E-08 0.100000E-04    0.828636E+00
  87    0.733196E-06    0.647119E+02 -0.113301E-07 0.100000E-04    0.776781E+00
  88    0.974661E-06    0.613079E+02 -0.158978E-07 0.100000E-04    0.943260E+00
  89    0.186057E-05    0.598121E+02 -0.311070E-07 0.100000E-04    0.946944E+00
  90    0.225631E-05    0.594092E+02 -0.379791E-07 0.100000E-04    0.975049E+00
  91    0.253160E-05    0.581327E+02 -0.435487E-07 0.100000E-04    0.915791E+00
  92   -0.354067E-05    0.558530E+02  0.633927E-07 0.100000E-04    0.946794E+00
  93    0.323940E-05    0.524361E+02 -0.617781E-07 0.100000E-04    0.982170E+00
  94    0.652980E-06    0.519946E+02 -0.125586E-07 0.100000E-04    0.796344E+00
  95    0.187463E-05    0.502964E+02 -0.372716E-07 0.100000E-04    0.885399E+00
  96   -0.107397E-05    0.461184E+02  0.232873E-07 0.100000E-04    0.918044E+00
  97    0.273109E-05    0.433942E+02 -0.629368E-07 0.100000E-04    0.879133E+00
  98    0.431139E-06    0.409270E+02 -0.105343E-07 0.100000E-04    0.627582E+00
  99    0.172426E-05    0.378638E+02 -0.455384E-07 0.100000E-04    0.801175E+00
 100    0.144683E-05    0.361753E+02 -0.399951E-07 0.100000E-04    0.887369E+00
 101   -0.103668E-04    0.322331E+02  0.321619E-06 0.100000E-04    0.938134E+00
 102    0.457265E-07    0.289332E+02 -0.158042E-08 0.109000E-04    0.139397E+00
 103    0.240761E-05    0.284583E+02 -0.846012E-07 0.100000E-04    0.960471E+00
 104    0.100670E-05    0.263260E+02 -0.382396E-07 0.100000E-04    0.400644E+00
 105    0.603906E-05    0.233235E+02 -0.258926E-06 0.100000E-04    0.926751E+00
 106    0.470654E-05    0.213500E+02 -0.220447E-06 0.100000E-04    0.965217E+00
 107   -0.202671E-04    0.198450E+02  0.102127E-05 0.100000E-04    0.918947E+00
 108   -0.225909E-04    0.164462E+02  0.137362E-05 0.100000E-04    0.928850E+00
 109    0.495423E-05    0.139143E+02 -0.356053E-06 0.100000E-04    0.958053E+00
 110    0.855796E-05    0.122453E+02 -0.698877E-06 0.100000E-04    0.846877E+00
 111   -0.276640E-05    0.100841E+02  0.274333E-06 0.100000E-04    0.803107E+00
 112    0.291671E-01    0.920619E+01 -0.100000E-04 0.100000E-04    0.542667E+00
 113   -0.104711E+00    0.576347E+01  0.207974E-04 0.207974E-04    0.143781E+00
 114   -0.913989E+00    0.314028E+01 -0.100000E-04 0.100000E-04    0.794886E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2079735861E-04    0.2698578734    

 Beginning of optimization cycle  701.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988131944
 potential> RMS force:                                               0.0862075232   |gradient|=.9204444707    
 Eigenvalues of the Hessian matrix:
   747.03796    673.93114    630.96490    600.50974    586.31884    578.90326 
   564.52611    487.41907    460.48616    459.72134    441.61158    429.50486 
   421.84507    407.79093    396.28295    387.33329    370.07427    360.58378 
   349.27733    335.35870    329.38593    321.80637    319.18941    309.28430 
   300.76268    290.60714    279.13445    272.77937    268.56215    264.98410 
   263.89186    253.16008    241.60527    240.80866    234.08628    227.54981 
   217.20349    214.90512    213.23360    207.72270    202.95995    195.35688 
   194.87635    191.40582    183.02906    174.42702    172.35997    168.24195 
   163.19141    156.85328    154.96026    152.23817    146.60968    143.30963 
   138.14202    135.87279    130.26774    128.85946    126.91748    123.96812 
   120.02882    118.17981    116.79739    110.38594    106.81138    104.47429 
   102.86265     99.50588     96.07139     94.08177     91.93033     91.25146 
    88.37073     85.63730     80.84276     80.56543     77.93558     73.26516 
    72.50188     67.88880     64.71151     61.30748     59.81180     59.40927 
    58.13264     55.85280     52.43598     51.99427     50.29699     46.11799 
    43.39473     40.92708     37.86378     36.17492     32.23275     28.93351 
    28.45839     26.32626     23.32339     21.35021     19.84487     16.44608 
    13.91436     12.24534     10.08403      9.20769      5.76363      3.13996 
overlap for current and previous eigenvector    109 is        -0.9999999886
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999472
overlap for current and previous eigenvector    112 is        -0.9999999177
overlap for current and previous eigenvector    113 is        -0.9999999407
overlap for current and previous eigenvector    114 is        -0.9999999688
J1,K1,R1,R2,RAT=   7   7    0.4806751234E-02     1.995183368        0.9951833676    
FOB,PFOB,DIAG,PSTEP=   -0.1736679196E-06   -0.1745067342E-06     747.0379603        0.2335993693E-09
J1,K1,R1,R2,RAT=   8   8   -0.3994456791E-01     2.039948660        0.9600554321    
FOB,PFOB,DIAG,PSTEP=   -0.4106257891E-06   -0.3948535662E-06     673.9311387        0.5858948129E-09
J1,K1,R1,R2,RAT=   9   9   -0.4381390825E-01     2.043804923        0.9561860917    
FOB,PFOB,DIAG,PSTEP=   -0.7207398171E-06   -0.6904867578E-06     630.9648967        0.1094339580E-08
J1,K1,R1,R2,RAT=  10  10    -1.016353871         3.016361122        0.1635387114E-01
FOB,PFOB,DIAG,PSTEP=   -0.4535970968E-07   -0.2249594836E-07     600.5097379        0.3746128562E-10
J1,K1,R1,R2,RAT=  11  11    0.2997152148         1.700286436        0.7002847852    
FOB,PFOB,DIAG,PSTEP=   -0.2801123849E-08   -0.3999976750E-08     586.3188404        0.6822181333E-11
J1,K1,R1,R2,RAT= 109 109     2.038183515       -0.3819209579E-01    0.9618079042    
FOB,PFOB,DIAG,PSTEP=   -0.5143444464E-05    0.4954231180E-05     13.91435994       -0.3560532037E-06
J1,K1,R1,R2,RAT= 110 110   -0.1491748225         2.149170863        0.8508251775    
FOB,PFOB,DIAG,PSTEP=    0.9834595760E-05    0.8557960930E-05     12.24533532       -0.6988765636E-06
J1,K1,R1,R2,RAT= 111 111     2.246131707       -0.2461206781        0.7538793219    
FOB,PFOB,DIAG,PSTEP=    0.3447260574E-05   -0.2766396858E-05     10.08402652        0.2743330354E-06
J1,K1,R1,R2,RAT= 112 112     633.1080053        0.4301995951        0.5698004049    
FOB,PFOB,DIAG,PSTEP=   -0.2912749527E-01    0.2916710670E-01     9.207686758       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1747.897475       -0.7989218223        0.2010781777    
FOB,PFOB,DIAG,PSTEP=    0.1048066946       -0.1047109292         5.763634397        0.2079735861E-04
J1,K1,R1,R2,RAT= 114 114    -58216.76764        0.1599105472        0.8400894528    
FOB,PFOB,DIAG,PSTEP=    0.9139940744       -0.9139890532         3.139959846       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00001      0.00001      0.00000     -0.02913      0.10481      0.91399 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3803845709
 Log product of positive Hessian eigenvalues =          519.0783394353
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1399598459
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=       -0.0000000024
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=       -0.0000000067
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=       -0.0000000164
 Unscaled step for mode   64=        0.0000000016
 Unscaled step for mode   65=        0.0000000102
 Unscaled step for mode   66=       -0.0000000058
 Unscaled step for mode   67=        0.0000000154
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=       -0.0000000068
 Unscaled step for mode   72=        0.0000000090
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000009
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=       -0.0000000164
 Unscaled step for mode   78=        0.0000000083
 Unscaled step for mode   79=       -0.0000000086
 Unscaled step for mode   80=       -0.0000000069
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=       -0.0000000152
 Unscaled step for mode   83=       -0.0000000023
 Unscaled step for mode   84=        0.0000000053
 Unscaled step for mode   85=       -0.0000000294
 Unscaled step for mode   86=       -0.0000000077
 Unscaled step for mode   87=       -0.0000000139
 Unscaled step for mode   88=        0.0000000151
 Unscaled step for mode   89=        0.0000000326
 Unscaled step for mode   90=       -0.0000000387
 Unscaled step for mode   91=        0.0000000465
 Unscaled step for mode   92=        0.0000000661
 Unscaled step for mode   93=       -0.0000000625
 Unscaled step for mode   94=       -0.0000000107
 Unscaled step for mode   95=       -0.0000000414
 Unscaled step for mode   96=        0.0000000247
 Unscaled step for mode   97=        0.0000000700
 Unscaled step for mode   98=       -0.0000000159
 Unscaled step for mode   99=        0.0000000550
 Unscaled step for mode  100=        0.0000000442
 Unscaled step for mode  101=       -0.0000003377
 Unscaled step for mode  102=       -0.0000000094
 Unscaled step for mode  103=       -0.0000000875
 Unscaled step for mode  104=       -0.0000000273
 Unscaled step for mode  105=       -0.0000002751
 Unscaled step for mode  106=        0.0000002264
 Unscaled step for mode  107=       -0.0000010925
 Unscaled step for mode  108=        0.0000014567
 Unscaled step for mode  109=        0.0000003697
 Unscaled step for mode  110=       -0.0000008031
 Unscaled step for mode  111=       -0.0000003419
 Unscaled step for mode  112=        0.0031633574
 Unscaled step for mode  113=       -0.0181781242
 Unscaled step for mode  114=        0.2698829606
 Largest modulus ratio of non-zero e/values=           237.9132208    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.860640E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.260360E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.272785E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.273924E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.671094E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.430775E-14    0.974327E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173668E-06    0.747038E+03  0.232475E-09 0.100000E-04    0.995183E+00
   8   -0.410626E-06    0.673931E+03  0.609299E-09 0.100000E-04    0.960055E+00
   9   -0.720740E-06    0.630965E+03  0.114228E-08 0.100000E-04    0.956186E+00
  10   -0.453597E-07    0.600510E+03  0.755353E-10 0.109000E-04    0.163539E-01
  11   -0.280112E-08    0.586319E+03  0.477748E-11 0.100000E-04    0.700285E+00
  12   -0.103281E-05    0.578903E+03  0.178407E-08 0.100000E-04    0.952549E+00
  13    0.449496E-07    0.564526E+03 -0.796237E-10 0.100000E-04    0.923174E+00
  14    0.430378E-06    0.487419E+03 -0.882973E-09 0.100000E-04    0.939662E+00
  15   -0.442310E-06    0.460486E+03  0.960528E-09 0.100000E-04    0.949008E+00
  16   -0.137276E-06    0.459721E+03  0.298606E-09 0.100000E-04    0.812274E+00
  17   -0.620504E-06    0.441612E+03  0.140509E-08 0.100000E-04    0.918526E+00
  18   -0.406938E-06    0.429505E+03  0.947458E-09 0.100000E-04    0.942863E+00
  19   -0.136126E-06    0.421845E+03  0.322692E-09 0.100000E-04    0.807731E+00
  20   -0.369419E-06    0.407791E+03  0.905902E-09 0.100000E-04    0.934014E+00
  21   -0.430706E-06    0.396283E+03  0.108686E-08 0.100000E-04    0.929362E+00
  22   -0.620270E-06    0.387333E+03  0.160139E-08 0.100000E-04    0.997156E+00
  23    0.807484E-06    0.370074E+03 -0.218195E-08 0.100000E-04    0.933260E+00
  24   -0.420850E-06    0.360584E+03  0.116713E-08 0.100000E-04    0.985993E+00
  25   -0.694597E-07    0.349277E+03  0.198867E-09 0.100000E-04    0.679648E+00
  26   -0.200413E-07    0.335359E+03  0.597609E-10 0.100000E-04    0.298267E+00
  27    0.386581E-06    0.329386E+03 -0.117364E-08 0.100000E-04    0.902098E+00
  28   -0.406514E-06    0.321806E+03  0.126322E-08 0.100000E-04    0.907660E+00
  29   -0.116026E-06    0.319189E+03  0.363504E-09 0.109000E-04    0.270433E-01
  30   -0.137168E-05    0.309284E+03  0.443502E-08 0.100000E-04    0.970551E+00
  31   -0.105562E-05    0.300763E+03  0.350982E-08 0.100000E-04    0.964058E+00
  32   -0.124760E-05    0.290607E+03  0.429307E-08 0.100000E-04    0.976605E+00
  33   -0.548205E-07    0.279134E+03  0.196394E-09 0.100000E-04    0.216921E+01
  34   -0.138813E-07    0.272779E+03  0.508882E-10 0.100000E-04    0.244775E+00
  35    0.100602E-05    0.268562E+03 -0.374594E-08 0.100000E-04    0.977875E+00
  36    0.121731E-05    0.264984E+03 -0.459390E-08 0.100000E-04    0.989453E+00
  37   -0.520921E-06    0.263892E+03  0.197400E-08 0.100000E-04    0.906448E+00
  38   -0.126404E-06    0.253160E+03  0.499307E-09 0.100000E-04    0.969230E+00
  39   -0.426542E-06    0.241605E+03  0.176545E-08 0.100000E-04    0.927365E+00
  40   -0.119544E-05    0.240809E+03  0.496427E-08 0.100000E-04    0.991044E+00
  41   -0.958445E-06    0.234086E+03  0.409441E-08 0.100000E-04    0.990542E+00
  42   -0.168229E-05    0.227550E+03  0.739306E-08 0.100000E-04    0.973275E+00
  43    0.119807E-07    0.217203E+03 -0.551588E-10 0.100000E-04    0.984055E+00
  44   -0.191987E-05    0.214905E+03  0.893358E-08 0.100000E-04    0.975588E+00
  45    0.710411E-06    0.213234E+03 -0.333161E-08 0.100000E-04    0.982138E+00
  46    0.105899E-05    0.207723E+03 -0.509810E-08 0.100000E-04    0.987118E+00
  47   -0.733530E-06    0.202960E+03  0.361416E-08 0.100000E-04    0.972106E+00
  48   -0.123194E-05    0.195357E+03  0.630610E-08 0.100000E-04    0.938689E+00
  49    0.981323E-06    0.194876E+03 -0.503562E-08 0.100000E-04    0.954815E+00
  50    0.124715E-05    0.191406E+03 -0.651576E-08 0.100000E-04    0.884653E+00
  51    0.229012E-06    0.183029E+03 -0.125123E-08 0.100000E-04    0.870824E+00
  52   -0.620870E-06    0.174427E+03  0.355948E-08 0.100000E-04    0.939902E+00
  53   -0.148594E-06    0.172360E+03  0.862115E-09 0.100000E-04    0.892665E+00
  54    0.206745E-06    0.168242E+03 -0.122885E-08 0.100000E-04    0.944080E+00
  55    0.781856E-06    0.163191E+03 -0.479103E-08 0.100000E-04    0.986486E+00
  56    0.134784E-05    0.156853E+03 -0.859298E-08 0.100000E-04    0.978847E+00
  57    0.372464E-06    0.154960E+03 -0.240361E-08 0.100000E-04    0.828162E+00
  58   -0.901496E-06    0.152238E+03  0.592162E-08 0.100000E-04    0.994559E+00
  59    0.599701E-06    0.146610E+03 -0.409046E-08 0.100000E-04    0.994697E+00
  60   -0.203664E-06    0.143310E+03  0.142115E-08 0.100000E-04    0.675236E+00
  61    0.929398E-06    0.138142E+03 -0.672785E-08 0.100000E-04    0.809115E+00
  62   -0.937216E-06    0.135873E+03  0.689774E-08 0.100000E-04    0.976954E+00
  63    0.214086E-05    0.130268E+03 -0.164343E-07 0.100000E-04    0.927468E+00
  64   -0.200503E-06    0.128859E+03  0.155598E-08 0.109000E-04    0.168571E+00
  65   -0.128968E-05    0.126917E+03  0.101616E-07 0.100000E-04    0.889528E+00
  66    0.715165E-06    0.123968E+03 -0.576894E-08 0.100000E-04    0.893607E+00
  67   -0.185391E-05    0.120029E+03  0.154456E-07 0.100000E-04    0.968774E+00
  68    0.449496E-06    0.118180E+03 -0.380349E-08 0.100000E-04    0.940652E+00
  69    0.415005E-07    0.116797E+03 -0.355320E-09 0.101354E-04    0.293525E+01
  70    0.132065E-05    0.110386E+03 -0.119639E-07 0.100000E-04    0.953548E+00
  71    0.730152E-06    0.106811E+03 -0.683590E-08 0.100000E-04    0.919789E+00
  72   -0.936329E-06    0.104474E+03  0.896229E-08 0.100000E-04    0.884439E+00
  73    0.133926E-06    0.102863E+03 -0.130199E-08 0.100000E-04    0.685575E+00
  74    0.428322E-07    0.995059E+02 -0.430449E-09 0.100000E-04    0.538559E+00
  75    0.903628E-07    0.960714E+02 -0.940580E-09 0.100000E-04    0.434628E+00
  76    0.144423E-06    0.940818E+02 -0.153508E-08 0.100000E-04    0.855297E+00
  77    0.150940E-05    0.919303E+02 -0.164189E-07 0.100000E-04    0.964006E+00
  78   -0.759885E-06    0.912515E+02  0.832738E-08 0.100000E-04    0.976388E+00
  79    0.759064E-06    0.883707E+02 -0.858954E-08 0.100000E-04    0.988070E+00
  80    0.593730E-06    0.856373E+02 -0.693307E-08 0.100000E-04    0.922010E+00
  81    0.126585E-05    0.808428E+02 -0.156582E-07 0.100000E-04    0.997488E+00
  82    0.122364E-05    0.805654E+02 -0.151882E-07 0.100000E-04    0.938119E+00
  83    0.177361E-06    0.779356E+02 -0.227573E-08 0.100000E-04    0.768245E+00
  84   -0.385749E-06    0.732652E+02  0.526511E-08 0.109000E-04    0.196585E+00
  85    0.212871E-05    0.725019E+02 -0.293608E-07 0.100000E-04    0.892675E+00
  86    0.525822E-06    0.678888E+02 -0.774534E-08 0.100000E-04    0.833152E+00
  87    0.902588E-06    0.647115E+02 -0.139479E-07 0.100000E-04    0.768966E+00
  88   -0.924761E-06    0.613075E+02  0.150840E-07 0.100000E-04    0.948802E+00
  89   -0.194747E-05    0.598118E+02  0.325600E-07 0.100000E-04    0.953295E+00
  90    0.229911E-05    0.594093E+02 -0.386995E-07 0.100000E-04    0.981030E+00
  91   -0.270247E-05    0.581326E+02  0.464879E-07 0.100000E-04    0.932508E+00
  92   -0.369387E-05    0.558528E+02  0.661358E-07 0.100000E-04    0.956733E+00
  93    0.327626E-05    0.524360E+02 -0.624812E-07 0.100000E-04    0.988621E+00
  94    0.554439E-06    0.519943E+02 -0.106635E-07 0.100000E-04    0.849089E+00
  95    0.208286E-05    0.502970E+02 -0.414111E-07 0.100000E-04    0.888924E+00
  96   -0.114016E-05    0.461180E+02  0.247227E-07 0.100000E-04    0.938372E+00
  97   -0.303692E-05    0.433947E+02  0.699836E-07 0.100000E-04    0.888021E+00
  98    0.651568E-06    0.409271E+02 -0.159202E-07 0.100000E-04    0.488729E+00
  99   -0.208110E-05    0.378638E+02  0.549628E-07 0.100000E-04    0.793046E+00
 100   -0.159717E-05    0.361749E+02  0.441513E-07 0.100000E-04    0.896092E+00
 101    0.108864E-04    0.322327E+02 -0.337744E-06 0.100000E-04    0.949874E+00
 102    0.271311E-06    0.289335E+02 -0.937706E-08 0.100000E-04    0.393330E+01
 103    0.249139E-05    0.284584E+02 -0.875451E-07 0.100000E-04    0.965201E+00
 104    0.719731E-06    0.263263E+02 -0.273389E-07 0.100000E-04    0.714925E+00
 105    0.641616E-05    0.233234E+02 -0.275096E-06 0.100000E-04    0.937556E+00
 106   -0.483439E-05    0.213502E+02  0.226433E-06 0.100000E-04    0.972837E+00
 107    0.216805E-04    0.198449E+02 -0.109250E-05 0.100000E-04    0.930262E+00
 108   -0.239573E-04    0.164461E+02  0.145672E-05 0.100000E-04    0.939512E+00
 109   -0.514344E-05    0.139144E+02  0.369650E-06 0.100000E-04    0.961808E+00
 110    0.983460E-05    0.122453E+02 -0.803130E-06 0.100000E-04    0.850825E+00
 111    0.344726E-05    0.100840E+02 -0.341854E-06 0.100000E-04    0.753879E+00
 112   -0.291275E-01    0.920769E+01  0.100000E-04 0.100000E-04    0.569800E+00
 113    0.104807E+00    0.576363E+01 -0.187364E-04 0.187364E-04    0.201078E+00
 114    0.913994E+00    0.313996E+01  0.100000E-04 0.100000E-04    0.840089E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1873635911E-04    0.2698829606    

 Beginning of optimization cycle  702.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2988063078
 potential> RMS force:                                               0.0862090190   |gradient|=.9204604415    
 Eigenvalues of the Hessian matrix:
   747.04155    673.92998    630.96763    600.50754    586.31843    578.90330 
   564.52233    487.41879    460.48494    459.72084    441.61111    429.50598 
   421.84445    407.78943    396.28242    387.33194    370.07472    360.58392 
   349.27661    335.35929    329.38673    321.80616    319.18996    309.28321 
   300.76209    290.60720    279.13580    272.77980    268.56236    264.98439 
   263.89234    253.15949    241.60558    240.80894    234.08697    227.55006 
   217.20416    214.90525    213.23334    207.72316    202.95957    195.35612 
   194.87666    191.40626    183.02973    174.42770    172.36021    168.24220 
   163.19112    156.85307    154.96074    152.23800    146.60915    143.30927 
   138.14249    135.87278    130.26753    128.85964    126.91769    123.96708 
   120.02900    118.17994    116.79701    110.38617    106.81125    104.47450 
   102.86273     99.50582     96.07122     94.08157     91.92994     91.25164 
    88.37025     85.63756     80.84284     80.56604     77.93537     73.26499 
    72.50136     67.88854     64.71112     61.30707     59.81153     59.40937 
    58.13263     55.85261     52.43589     51.99394     50.29754     46.11760 
    43.39526     40.92720     37.86376     36.17465     32.23240     28.93383 
    28.45845     26.32653     23.32328     21.35047     19.84477     16.44599 
    13.91442     12.24536     10.08397      9.20909      5.76378      3.13965 
overlap for current and previous eigenvector    109 is         0.9999999901
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999554
overlap for current and previous eigenvector    112 is         0.9999999292
overlap for current and previous eigenvector    113 is         0.9999999476
overlap for current and previous eigenvector    114 is         0.9999999728
J1,K1,R1,R2,RAT=   7   7   -0.1200163328E-01     2.011992031        0.9879983667    
FOB,PFOB,DIAG,PSTEP=   -0.1757522283E-06   -0.1736679196E-06     747.0415467        0.2324753611E-09
J1,K1,R1,R2,RAT=   8   8    0.4605193633E-01     1.953951495        0.9539480637    
FOB,PFOB,DIAG,PSTEP=   -0.3917157088E-06   -0.4106257891E-06     673.9299825        0.6092993267E-09
J1,K1,R1,R2,RAT=   9   9    0.5093122989E-01     1.949060114        0.9490601135    
FOB,PFOB,DIAG,PSTEP=   -0.6840314929E-06   -0.7207398171E-06     630.9676277        0.1142281957E-08
J1,K1,R1,R2,RAT=  10  10    0.5851256663         1.414881665        0.4148743337    
FOB,PFOB,DIAG,PSTEP=   -0.1881867663E-07   -0.4535970968E-07     600.5075365        0.7553534408E-10
J1,K1,R1,R2,RAT=  11  11   -0.9235677141         2.923569119        0.7643228592E-01
FOB,PFOB,DIAG,PSTEP=   -0.5388149582E-08   -0.2801123849E-08     586.3184287        0.4777475420E-11
J1,K1,R1,R2,RAT= 109 109    0.4122777184E-01     1.958763799        0.9587637992    
FOB,PFOB,DIAG,PSTEP=   -0.4931390815E-05   -0.5143444464E-05     13.91441859        0.3696500942E-06
J1,K1,R1,R2,RAT= 110 110    0.1545323472         1.845463683        0.8454636831    
FOB,PFOB,DIAG,PSTEP=    0.8314829576E-05    0.9834595760E-05     12.24535963       -0.8031299675E-06
J1,K1,R1,R2,RAT= 111 111    0.1944260007         1.805585661        0.8055739993    
FOB,PFOB,DIAG,PSTEP=    0.2777027395E-05    0.3447260574E-05     10.08396772       -0.3418535808E-06
J1,K1,R1,R2,RAT= 112 112    0.4632347002         632.1179562        0.5367652998    
FOB,PFOB,DIAG,PSTEP=   -0.2908483555E-01   -0.2912749527E-01     9.209093058        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8621895521         1941.867323        0.1378104479    
FOB,PFOB,DIAG,PSTEP=    0.1048998044        0.1048066946         5.763776534       -0.1873635911E-04
J1,K1,R1,R2,RAT= 114 114    0.2153339965        -58222.85816        0.7846660035    
FOB,PFOB,DIAG,PSTEP=    0.9140008351        0.9139940744         3.139651620        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001     -0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00000      0.00001      0.00000     -0.02908      0.10490      0.91400 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3803618624
 Log product of positive Hessian eigenvalues =          519.0783968300
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1396516202
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000008
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000011
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000010
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000001
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000036
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000071
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000087
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000058
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000057
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=        0.0000000010
 Unscaled step for mode   54=       -0.0000000013
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000084
 Unscaled step for mode   57=       -0.0000000020
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000010
 Unscaled step for mode   61=       -0.0000000054
 Unscaled step for mode   62=        0.0000000067
 Unscaled step for mode   63=       -0.0000000151
 Unscaled step for mode   64=        0.0000000007
 Unscaled step for mode   65=        0.0000000090
 Unscaled step for mode   66=       -0.0000000051
 Unscaled step for mode   67=        0.0000000149
 Unscaled step for mode   68=       -0.0000000035
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=       -0.0000000113
 Unscaled step for mode   71=       -0.0000000062
 Unscaled step for mode   72=        0.0000000104
 Unscaled step for mode   73=       -0.0000000009
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=       -0.0000000024
 Unscaled step for mode   76=       -0.0000000013
 Unscaled step for mode   77=       -0.0000000171
 Unscaled step for mode   78=        0.0000000081
 Unscaled step for mode   79=       -0.0000000084
 Unscaled step for mode   80=       -0.0000000064
 Unscaled step for mode   81=       -0.0000000156
 Unscaled step for mode   82=       -0.0000000141
 Unscaled step for mode   83=       -0.0000000031
 Unscaled step for mode   84=        0.0000000025
 Unscaled step for mode   85=       -0.0000000261
 Unscaled step for mode   86=       -0.0000000064
 Unscaled step for mode   87=       -0.0000000107
 Unscaled step for mode   88=        0.0000000159
 Unscaled step for mode   89=        0.0000000309
 Unscaled step for mode   90=       -0.0000000377
 Unscaled step for mode   91=        0.0000000426
 Unscaled step for mode   92=        0.0000000626
 Unscaled step for mode   93=       -0.0000000614
 Unscaled step for mode   94=       -0.0000000128
 Unscaled step for mode   95=       -0.0000000367
 Unscaled step for mode   96=        0.0000000227
 Unscaled step for mode   97=        0.0000000615
 Unscaled step for mode   98=       -0.0000000098
 Unscaled step for mode   99=        0.0000000439
 Unscaled step for mode  100=        0.0000000392
 Unscaled step for mode  101=       -0.0000003169
 Unscaled step for mode  102=        0.0000000002
 Unscaled step for mode  103=       -0.0000000841
 Unscaled step for mode  104=       -0.0000000415
 Unscaled step for mode  105=       -0.0000002550
 Unscaled step for mode  106=        0.0000002187
 Unscaled step for mode  107=       -0.0000010040
 Unscaled step for mode  108=        0.0000013534
 Unscaled step for mode  109=        0.0000003544
 Unscaled step for mode  110=       -0.0000006790
 Unscaled step for mode  111=       -0.0000002754
 Unscaled step for mode  112=        0.0031582421
 Unscaled step for mode  113=       -0.0181938145
 Unscaled step for mode  114=        0.2699075829
 Largest modulus ratio of non-zero e/values=           237.9377196    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.865410E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.238270E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.541313E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.395517E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.439373E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.344067E-14    0.974327E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175752E-06    0.747042E+03  0.235264E-09 0.100000E-04    0.987998E+00
   8   -0.391716E-06    0.673930E+03  0.581241E-09 0.100000E-04    0.953948E+00
   9   -0.684031E-06    0.630968E+03  0.108410E-08 0.100000E-04    0.949060E+00
  10   -0.188187E-07    0.600508E+03  0.313380E-10 0.100000E-04    0.414874E+00
  11   -0.538815E-08    0.586318E+03  0.918980E-11 0.109000E-04    0.764323E-01
  12   -0.977113E-06    0.578903E+03  0.168787E-08 0.100000E-04    0.946076E+00
  13    0.491007E-07    0.564522E+03 -0.869774E-10 0.100000E-04    0.907651E+00
  14    0.402193E-06    0.487419E+03 -0.825148E-09 0.100000E-04    0.934510E+00
  15   -0.416326E-06    0.460485E+03  0.904103E-09 0.100000E-04    0.941254E+00
  16   -0.111326E-06    0.459721E+03  0.242159E-09 0.100000E-04    0.810963E+00
  17   -0.565516E-06    0.441611E+03  0.128057E-08 0.100000E-04    0.911381E+00
  18   -0.380016E-06    0.429506E+03  0.884775E-09 0.100000E-04    0.933838E+00
  19   -0.174091E-06    0.421844E+03  0.412691E-09 0.100000E-04    0.721101E+00
  20   -0.341853E-06    0.407789E+03  0.838308E-09 0.100000E-04    0.925381E+00
  21   -0.396813E-06    0.396282E+03  0.100134E-08 0.100000E-04    0.921308E+00
  22   -0.616444E-06    0.387332E+03  0.159151E-08 0.100000E-04    0.993832E+00
  23    0.747559E-06    0.370075E+03 -0.202002E-08 0.100000E-04    0.925786E+00
  24   -0.413364E-06    0.360584E+03  0.114637E-08 0.100000E-04    0.982212E+00
  25   -0.107274E-06    0.349277E+03  0.307132E-09 0.100000E-04    0.455591E+00
  26   -0.777179E-07    0.335359E+03  0.231745E-09 0.100000E-04    0.187787E+01
  27    0.344135E-06    0.329387E+03 -0.104477E-08 0.100000E-04    0.890197E+00
  28   -0.363989E-06    0.321806E+03  0.113108E-08 0.100000E-04    0.895391E+00
  29   -0.436005E-07    0.319190E+03  0.136597E-09 0.100000E-04    0.375778E+00
  30   -0.131829E-05    0.309283E+03  0.426241E-08 0.100000E-04    0.961078E+00
  31   -0.101081E-05    0.300762E+03  0.336082E-08 0.100000E-04    0.957545E+00
  32   -0.121065E-05    0.290607E+03  0.416594E-08 0.100000E-04    0.970386E+00
  33   -0.459113E-08    0.279136E+03  0.164477E-10 0.109000E-04    0.837432E-01
  34   -0.665467E-07    0.272780E+03  0.243957E-09 0.100000E-04    0.279399E+01
  35    0.976535E-06    0.268562E+03 -0.363616E-08 0.100000E-04    0.970693E+00
  36    0.120047E-05    0.264984E+03 -0.453034E-08 0.100000E-04    0.986163E+00
  37   -0.468418E-06    0.263892E+03  0.177503E-08 0.100000E-04    0.899207E+00
  38   -0.130764E-06    0.253159E+03  0.516529E-09 0.100000E-04    0.965510E+00
  39   -0.468803E-06    0.241606E+03  0.194036E-08 0.100000E-04    0.900921E+00
  40   -0.118055E-05    0.240809E+03  0.490242E-08 0.100000E-04    0.987540E+00
  41   -0.969929E-06    0.234087E+03  0.414346E-08 0.100000E-04    0.988018E+00
  42   -0.162337E-05    0.227550E+03  0.713411E-08 0.100000E-04    0.964973E+00
  43    0.137263E-07    0.217204E+03 -0.631952E-10 0.100000E-04    0.854301E+00
  44   -0.186296E-05    0.214905E+03  0.866875E-08 0.100000E-04    0.970355E+00
  45    0.723096E-06    0.213233E+03 -0.339110E-08 0.100000E-04    0.982144E+00
  46    0.104444E-05    0.207723E+03 -0.502803E-08 0.100000E-04    0.986253E+00
  47   -0.710258E-06    0.202960E+03  0.349951E-08 0.100000E-04    0.968274E+00
  48   -0.114214E-05    0.195356E+03  0.584646E-08 0.100000E-04    0.927108E+00
  49    0.931845E-06    0.194877E+03 -0.478172E-08 0.100000E-04    0.949578E+00
  50    0.109118E-05    0.191406E+03 -0.570085E-08 0.100000E-04    0.874930E+00
  51    0.196976E-06    0.183030E+03 -0.107619E-08 0.100000E-04    0.860103E+00
  52   -0.576778E-06    0.174428E+03  0.330669E-08 0.100000E-04    0.928976E+00
  53   -0.170498E-06    0.172360E+03  0.989196E-09 0.100000E-04    0.852593E+00
  54    0.220496E-06    0.168242E+03 -0.131059E-08 0.100000E-04    0.933486E+00
  55    0.789661E-06    0.163191E+03 -0.483887E-08 0.100000E-04    0.990017E+00
  56    0.131394E-05    0.156853E+03 -0.837692E-08 0.100000E-04    0.974854E+00
  57    0.309725E-06    0.154961E+03 -0.199873E-08 0.100000E-04    0.831551E+00
  58   -0.903704E-06    0.152238E+03  0.593612E-08 0.100000E-04    0.997551E+00
  59    0.601127E-06    0.146609E+03 -0.410020E-08 0.100000E-04    0.997623E+00
  60   -0.146290E-06    0.143309E+03  0.102080E-08 0.100000E-04    0.718289E+00
  61    0.752546E-06    0.138142E+03 -0.544761E-08 0.100000E-04    0.809707E+00
  62   -0.909153E-06    0.135873E+03  0.669121E-08 0.100000E-04    0.970058E+00
  63    0.196401E-05    0.130268E+03 -0.150767E-07 0.100000E-04    0.917394E+00
  64   -0.898306E-07    0.128860E+03  0.697120E-09 0.100000E-04    0.448024E+00
  65   -0.113887E-05    0.126918E+03  0.897327E-08 0.100000E-04    0.883058E+00
  66    0.635644E-06    0.123967E+03 -0.512752E-08 0.100000E-04    0.888807E+00
  67   -0.178432E-05    0.120029E+03  0.148657E-07 0.100000E-04    0.962458E+00
  68    0.419297E-06    0.118180E+03 -0.354796E-08 0.100000E-04    0.932815E+00
  69   -0.135161E-07    0.116797E+03  0.115723E-09 0.100000E-04    0.325683E+00
  70    0.124934E-05    0.110386E+03 -0.113179E-07 0.100000E-04    0.946004E+00
  71    0.665494E-06    0.106811E+03 -0.623056E-08 0.100000E-04    0.911446E+00
  72   -0.108257E-05    0.104475E+03  0.103621E-07 0.100000E-04    0.843811E+00
  73    0.950306E-07    0.102863E+03 -0.923858E-09 0.100000E-04    0.709575E+00
  74    0.838275E-07    0.995058E+02 -0.842438E-09 0.109000E-04    0.428847E-01
  75    0.227118E-06    0.960712E+02 -0.236406E-08 0.100000E-04    0.513408E+00
  76    0.120999E-06    0.940816E+02 -0.128611E-08 0.100000E-04    0.837812E+00
  77    0.157337E-05    0.919299E+02 -0.171149E-07 0.100000E-04    0.957617E+00
  78   -0.734625E-06    0.912516E+02  0.805054E-08 0.100000E-04    0.966754E+00
  79    0.744896E-06    0.883703E+02 -0.842926E-08 0.100000E-04    0.981334E+00
  80    0.543987E-06    0.856376E+02 -0.635219E-08 0.100000E-04    0.916213E+00
  81    0.125864E-05    0.808428E+02 -0.155690E-07 0.100000E-04    0.994303E+00
  82    0.113717E-05    0.805660E+02 -0.141147E-07 0.100000E-04    0.929317E+00
  83    0.240238E-06    0.779354E+02 -0.308252E-08 0.100000E-04    0.645484E+00
  84   -0.180637E-06    0.732650E+02  0.246553E-08 0.100000E-04    0.468275E+00
  85    0.188874E-05    0.725014E+02 -0.260512E-07 0.100000E-04    0.887270E+00
  86    0.434353E-06    0.678885E+02 -0.639804E-08 0.100000E-04    0.826046E+00
  87    0.695440E-06    0.647111E+02 -0.107468E-07 0.100000E-04    0.770494E+00
  88   -0.976510E-06    0.613071E+02  0.159282E-07 0.100000E-04    0.944041E+00
  89   -0.184545E-05    0.598115E+02  0.308544E-07 0.100000E-04    0.947611E+00
  90    0.224237E-05    0.594094E+02 -0.377443E-07 0.100000E-04    0.975316E+00
  91   -0.247416E-05    0.581326E+02  0.425605E-07 0.100000E-04    0.915518E+00
  92   -0.349839E-05    0.558526E+02  0.626361E-07 0.100000E-04    0.947079E+00
  93    0.321865E-05    0.524359E+02 -0.613825E-07 0.100000E-04    0.982415E+00
  94    0.663213E-06    0.519939E+02 -0.127556E-07 0.100000E-04    0.803811E+00
  95    0.184458E-05    0.502975E+02 -0.366734E-07 0.100000E-04    0.885581E+00
  96   -0.104616E-05    0.461176E+02  0.226846E-07 0.100000E-04    0.917556E+00
  97   -0.266855E-05    0.433953E+02  0.614941E-07 0.100000E-04    0.878681E+00
  98    0.400083E-06    0.409272E+02 -0.977549E-08 0.100000E-04    0.614027E+00
  99   -0.166063E-05    0.378638E+02  0.438581E-07 0.100000E-04    0.797959E+00
 100   -0.141683E-05    0.361746E+02  0.391663E-07 0.100000E-04    0.887085E+00
 101    0.102152E-04    0.322324E+02 -0.316924E-06 0.100000E-04    0.938346E+00
 102   -0.633989E-08    0.289338E+02  0.219117E-09 0.109000E-04    0.233562E-01
 103    0.239423E-05    0.284584E+02 -0.841306E-07 0.100000E-04    0.960995E+00
 104    0.109160E-05    0.263265E+02 -0.414638E-07 0.100000E-04    0.483332E+00
 105    0.594715E-05    0.233233E+02 -0.254988E-06 0.100000E-04    0.926901E+00
 106   -0.466880E-05    0.213505E+02  0.218675E-06 0.100000E-04    0.965726E+00
 107    0.199243E-04    0.198448E+02 -0.100401E-05 0.100000E-04    0.918998E+00
 108   -0.222574E-04    0.164460E+02  0.135336E-05 0.100000E-04    0.929043E+00
 109   -0.493139E-05    0.139144E+02  0.354409E-06 0.100000E-04    0.958764E+00
 110    0.831483E-05    0.122454E+02 -0.679019E-06 0.100000E-04    0.845464E+00
 111    0.277703E-05    0.100840E+02 -0.275390E-06 0.100000E-04    0.805574E+00
 112   -0.290848E-01    0.920909E+01  0.100000E-04 0.100000E-04    0.536765E+00
 113    0.104900E+00    0.576378E+01 -0.204226E-04 0.204226E-04    0.137810E+00
 114    0.914001E+00    0.313965E+01  0.100000E-04 0.100000E-04    0.784666E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2042263143E-04    0.2699075829    

 Beginning of optimization cycle  703.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987995992
 potential> RMS force:                                               0.0862104101   |gradient|=.9204752945    
 Eigenvalues of the Hessian matrix:
   747.04521    673.92863    630.97044    600.50536    586.31796    578.90335 
   564.51833    487.41841    460.48370    459.72033    441.61059    429.50725 
   421.84381    407.78785    396.28185    387.33055    370.07518    360.58408 
   349.27593    335.35991    329.38757    321.80590    319.19063    309.28208 
   300.76154    290.60727    279.13726    272.78026    268.56265    264.98469 
   263.89291    253.15893    241.60597    240.80923    234.08774    227.55037 
   217.20492    214.90539    213.23307    207.72364    202.95918    195.35534 
   194.87702    191.40669    183.03046    174.42842    172.36045    168.24247 
   163.19082    156.85286    154.96124    152.23782    146.60859    143.30888 
   138.14300    135.87278    130.26729    128.85984    126.91789    123.96599 
   120.02918    118.18006    116.79658    110.38641    106.81111    104.47471 
   102.86281     99.50575     96.07103     94.08134     91.92955     91.25184 
    88.36976     85.63785     80.84294     80.56669     77.93515     73.26477 
    72.50080     67.88823     64.71070     61.30667     59.81125     59.40945 
    58.13260     55.85238     52.43579     51.99358     50.29812     46.11719 
    43.39581     40.92731     37.86372     36.17430     32.23203     28.93416 
    28.45851     26.32682     23.32319     21.35071     19.84469     16.44588 
    13.91448     12.24538     10.08391      9.21057      5.76393      3.13933 
overlap for current and previous eigenvector    109 is        -0.9999999889
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999480
overlap for current and previous eigenvector    112 is        -0.9999999192
overlap for current and previous eigenvector    113 is        -0.9999999422
overlap for current and previous eigenvector    114 is        -0.9999999697
J1,K1,R1,R2,RAT=   7   7    0.4757851679E-02     1.995232353        0.9952323534    
FOB,PFOB,DIAG,PSTEP=   -0.1749160212E-06   -0.1757522283E-06     747.0452054        0.2352643291E-09
J1,K1,R1,R2,RAT=   8   8   -0.3954657584E-01     2.039550583        0.9604534242    
FOB,PFOB,DIAG,PSTEP=   -0.4072066928E-06   -0.3917157088E-06     673.9286323        0.5812409582E-09
J1,K1,R1,R2,RAT=   9   9   -0.4338443204E-01     2.043375530        0.9566155680    
FOB,PFOB,DIAG,PSTEP=   -0.7137079428E-06   -0.6840314929E-06     630.9704362        0.1084099188E-08
J1,K1,R1,R2,RAT=  10  10    -1.194445019         3.194452257        0.1944450191    
FOB,PFOB,DIAG,PSTEP=   -0.4129646984E-07   -0.1881867663E-07     600.5053634        0.3133795245E-10
J1,K1,R1,R2,RAT=  11  11    0.2136223222         1.786379282        0.7863776778    
FOB,PFOB,DIAG,PSTEP=   -0.4237121479E-08   -0.5388149582E-08     586.3179584        0.9189800828E-11
J1,K1,R1,R2,RAT= 109 109     2.037492644       -0.3750123851E-01    0.9624987615    
FOB,PFOB,DIAG,PSTEP=    0.5116324873E-05   -0.4931390815E-05     13.91447838        0.3544086865E-06
J1,K1,R1,R2,RAT= 110 110   -0.1507944444         2.150790387        0.8492055556    
FOB,PFOB,DIAG,PSTEP=    0.9568662226E-05    0.8314829576E-05     12.24538447       -0.6790188144E-06
J1,K1,R1,R2,RAT= 111 111     2.241898222       -0.2418872761        0.7581127239    
FOB,PFOB,DIAG,PSTEP=   -0.3448751310E-05    0.2777027395E-05     10.08391253       -0.2753903496E-06
J1,K1,R1,R2,RAT= 112 112     631.1165721        0.4366189925        0.5633810075    
FOB,PFOB,DIAG,PSTEP=    0.2904462044E-01   -0.2908483555E-01     9.210573539        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1783.076329       -0.8043328908        0.1956671092    
FOB,PFOB,DIAG,PSTEP=   -0.1049944862        0.1048998044         5.763933890       -0.2042263143E-04
J1,K1,R1,R2,RAT= 114 114    -58229.15600        0.1709046086        0.8290953914    
FOB,PFOB,DIAG,PSTEP=   -0.9140062004        0.9140008351         3.139332872        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00002 
     0.00001      0.00001     -0.00000      0.02904     -0.10499     -0.91401 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3803405702
 Log product of positive Hessian eigenvalues =          519.0784581939
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1393328719
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000064
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000086
 Unscaled step for mode   57=        0.0000000023
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000014
 Unscaled step for mode   61=        0.0000000065
 Unscaled step for mode   62=       -0.0000000068
 Unscaled step for mode   63=        0.0000000162
 Unscaled step for mode   64=       -0.0000000014
 Unscaled step for mode   65=        0.0000000100
 Unscaled step for mode   66=       -0.0000000057
 Unscaled step for mode   67=        0.0000000153
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000003
 Unscaled step for mode   70=       -0.0000000118
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=       -0.0000000092
 Unscaled step for mode   73=        0.0000000012
 Unscaled step for mode   74=        0.0000000005
 Unscaled step for mode   75=       -0.0000000012
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=       -0.0000000082
 Unscaled step for mode   79=       -0.0000000085
 Unscaled step for mode   80=        0.0000000068
 Unscaled step for mode   81=        0.0000000156
 Unscaled step for mode   82=       -0.0000000150
 Unscaled step for mode   83=        0.0000000024
 Unscaled step for mode   84=       -0.0000000048
 Unscaled step for mode   85=       -0.0000000288
 Unscaled step for mode   86=        0.0000000075
 Unscaled step for mode   87=       -0.0000000133
 Unscaled step for mode   88=       -0.0000000151
 Unscaled step for mode   89=       -0.0000000323
 Unscaled step for mode   90=       -0.0000000385
 Unscaled step for mode   91=       -0.0000000454
 Unscaled step for mode   92=        0.0000000653
 Unscaled step for mode   93=       -0.0000000621
 Unscaled step for mode   94=       -0.0000000109
 Unscaled step for mode   95=       -0.0000000407
 Unscaled step for mode   96=        0.0000000241
 Unscaled step for mode   97=       -0.0000000684
 Unscaled step for mode   98=       -0.0000000151
 Unscaled step for mode   99=       -0.0000000531
 Unscaled step for mode  100=       -0.0000000432
 Unscaled step for mode  101=        0.0000003328
 Unscaled step for mode  102=       -0.0000000074
 Unscaled step for mode  103=       -0.0000000870
 Unscaled step for mode  104=       -0.0000000307
 Unscaled step for mode  105=       -0.0000002709
 Unscaled step for mode  106=       -0.0000002245
 Unscaled step for mode  107=        0.0000010740
 Unscaled step for mode  108=        0.0000014350
 Unscaled step for mode  109=       -0.0000003677
 Unscaled step for mode  110=       -0.0000007814
 Unscaled step for mode  111=        0.0000003420
 Unscaled step for mode  112=       -0.0031533684
 Unscaled step for mode  113=        0.0182097284
 Unscaled step for mode  114=       -0.2699326347
 Largest modulus ratio of non-zero e/values=           237.9630437    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.934257E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.247843E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.110730E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.123924E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.177120E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.443731E-14    0.974328E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174916E-06    0.747045E+03  0.234144E-09 0.100000E-04    0.995232E+00
   8   -0.407207E-06    0.673929E+03  0.604228E-09 0.100000E-04    0.960453E+00
   9   -0.713708E-06    0.630970E+03  0.113113E-08 0.100000E-04    0.956616E+00
  10   -0.412965E-07    0.600505E+03  0.687695E-10 0.109000E-04    0.194445E+00
  11   -0.423712E-08    0.586318E+03  0.722666E-11 0.100000E-04    0.786378E+00
  12   -0.102302E-05    0.578903E+03  0.176718E-08 0.100000E-04    0.953014E+00
  13    0.454161E-07    0.564518E+03 -0.804510E-10 0.100000E-04    0.924958E+00
  14    0.426229E-06    0.487418E+03 -0.874462E-09 0.100000E-04    0.940237E+00
  15   -0.437399E-06    0.460484E+03  0.949869E-09 0.100000E-04    0.949383E+00
  16   -0.132638E-06    0.459720E+03  0.288518E-09 0.100000E-04    0.808560E+00
  17   -0.611420E-06    0.441611E+03  0.138452E-08 0.100000E-04    0.918828E+00
  18   -0.401604E-06    0.429507E+03  0.935035E-09 0.100000E-04    0.943191E+00
  19   -0.142228E-06    0.421844E+03  0.337159E-09 0.100000E-04    0.816975E+00
  20   -0.364288E-06    0.407788E+03  0.893327E-09 0.100000E-04    0.934373E+00
  21   -0.424721E-06    0.396282E+03  0.107177E-08 0.100000E-04    0.929668E+00
  22   -0.618129E-06    0.387331E+03  0.159587E-08 0.100000E-04    0.997267E+00
  23    0.797149E-06    0.370075E+03 -0.215402E-08 0.100000E-04    0.933665E+00
  24   -0.419034E-06    0.360584E+03  0.116210E-08 0.100000E-04    0.986284E+00
  25   -0.750932E-07    0.349276E+03  0.214997E-09 0.100000E-04    0.700012E+00
  26   -0.313400E-07    0.335360E+03  0.934517E-10 0.100000E-04    0.403250E+00
  27    0.377986E-06    0.329388E+03 -0.114754E-08 0.100000E-04    0.901634E+00
  28   -0.397741E-06    0.321806E+03  0.123597E-08 0.100000E-04    0.907270E+00
  29   -0.998566E-07    0.319191E+03  0.312843E-09 0.100000E-04    0.290260E+00
  30   -0.135681E-05    0.309282E+03  0.438697E-08 0.100000E-04    0.970781E+00
  31   -0.104674E-05    0.300762E+03  0.348031E-08 0.100000E-04    0.964448E+00
  32   -0.123862E-05    0.290607E+03  0.426219E-08 0.100000E-04    0.976896E+00
  33   -0.455742E-07    0.279137E+03  0.163268E-09 0.100000E-04    0.792653E+01
  34   -0.244196E-07    0.272780E+03  0.895210E-10 0.100000E-04    0.366952E+00
  35    0.997885E-06    0.268563E+03 -0.371565E-08 0.100000E-04    0.978137E+00
  36    0.121286E-05    0.264985E+03 -0.457711E-08 0.100000E-04    0.989674E+00
  37   -0.512185E-06    0.263893E+03  0.194088E-08 0.100000E-04    0.906564E+00
  38   -0.126787E-06    0.253159E+03  0.500822E-09 0.100000E-04    0.969589E+00
  39   -0.435946E-06    0.241606E+03  0.180437E-08 0.100000E-04    0.929911E+00
  40   -0.119092E-05    0.240809E+03  0.494548E-08 0.100000E-04    0.991216E+00
  41   -0.960871E-06    0.234088E+03  0.410475E-08 0.100000E-04    0.990654E+00
  42   -0.166630E-05    0.227550E+03  0.732277E-08 0.100000E-04    0.973554E+00
  43    0.135508E-07    0.217205E+03 -0.623874E-10 0.100000E-04    0.987214E+00
  44   -0.190779E-05    0.214905E+03  0.887733E-08 0.100000E-04    0.975939E+00
  45    0.710354E-06    0.213233E+03 -0.333135E-08 0.100000E-04    0.982378E+00
  46    0.105761E-05    0.207724E+03 -0.509145E-08 0.100000E-04    0.987384E+00
  47   -0.729768E-06    0.202959E+03  0.359564E-08 0.100000E-04    0.972532E+00
  48   -0.121204E-05    0.195355E+03  0.620428E-08 0.100000E-04    0.938801E+00
  49    0.973545E-06    0.194877E+03 -0.499569E-08 0.100000E-04    0.955251E+00
  50    0.121780E-05    0.191407E+03 -0.636239E-08 0.100000E-04    0.883956E+00
  51    0.222716E-06    0.183030E+03 -0.121682E-08 0.100000E-04    0.869324E+00
  52   -0.611355E-06    0.174428E+03  0.350490E-08 0.100000E-04    0.940052E+00
  53   -0.152964E-06    0.172360E+03  0.887464E-09 0.100000E-04    0.897155E+00
  54   -0.208462E-06    0.168242E+03  0.123906E-08 0.100000E-04    0.945420E+00
  55    0.779041E-06    0.163191E+03 -0.477381E-08 0.100000E-04    0.986551E+00
  56    0.134130E-05    0.156853E+03 -0.855131E-08 0.100000E-04    0.979183E+00
  57   -0.363358E-06    0.154961E+03  0.234483E-08 0.100000E-04    0.826837E+00
  58   -0.898817E-06    0.152238E+03  0.590403E-08 0.100000E-04    0.994592E+00
  59   -0.597925E-06    0.146609E+03  0.407838E-08 0.100000E-04    0.994674E+00
  60    0.195337E-06    0.143309E+03 -0.136305E-08 0.100000E-04    0.664727E+00
  61   -0.898899E-06    0.138143E+03  0.650702E-08 0.100000E-04    0.805524E+00
  62    0.929861E-06    0.135873E+03 -0.684361E-08 0.100000E-04    0.977223E+00
  63   -0.210625E-05    0.130267E+03  0.161687E-07 0.100000E-04    0.927576E+00
  64    0.179352E-06    0.128860E+03 -0.139184E-08 0.109000E-04    0.344496E-02
  65   -0.126483E-05    0.126918E+03  0.996576E-08 0.100000E-04    0.889393E+00
  66    0.703253E-06    0.123966E+03 -0.567295E-08 0.100000E-04    0.893637E+00
  67   -0.183936E-05    0.120029E+03  0.153243E-07 0.100000E-04    0.969151E+00
  68    0.443996E-06    0.118180E+03 -0.375695E-08 0.100000E-04    0.941094E+00
  69   -0.355029E-07    0.116797E+03  0.303972E-09 0.100000E-04    0.626712E+00
  70    0.130683E-05    0.110386E+03 -0.118387E-07 0.100000E-04    0.953981E+00
  71   -0.718830E-06    0.106811E+03  0.672992E-08 0.100000E-04    0.919855E+00
  72    0.962282E-06    0.104475E+03 -0.921067E-08 0.100000E-04    0.888880E+00
  73   -0.126418E-06    0.102863E+03  0.122899E-08 0.100000E-04    0.669715E+00
  74   -0.477874E-07    0.995057E+02  0.480247E-09 0.100000E-04    0.570067E+00
  75    0.111585E-06    0.960710E+02 -0.116149E-08 0.100000E-04    0.491308E+00
  76    0.138811E-06    0.940813E+02 -0.147543E-08 0.100000E-04    0.852797E+00
  77    0.151794E-05    0.919295E+02 -0.165119E-07 0.100000E-04    0.964766E+00
  78    0.751791E-06    0.912518E+02 -0.823863E-08 0.100000E-04    0.976634E+00
  79    0.753694E-06    0.883698E+02 -0.852887E-08 0.100000E-04    0.988189E+00
  80   -0.586253E-06    0.856379E+02  0.684572E-08 0.100000E-04    0.922303E+00
  81   -0.126170E-05    0.808429E+02  0.156068E-07 0.100000E-04    0.997571E+00
  82    0.120723E-05    0.805667E+02 -0.149843E-07 0.100000E-04    0.938388E+00
  83   -0.187525E-06    0.779352E+02  0.240617E-08 0.100000E-04    0.780581E+00
  84    0.349377E-06    0.732648E+02 -0.476869E-08 0.109000E-04    0.658643E-01
  85    0.209147E-05    0.725008E+02 -0.288476E-07 0.100000E-04    0.892664E+00
  86   -0.508146E-06    0.678882E+02  0.748504E-08 0.100000E-04    0.830108E+00
  87    0.861952E-06    0.647107E+02 -0.133201E-07 0.100000E-04    0.760564E+00
  88    0.927228E-06    0.613067E+02 -0.151244E-07 0.100000E-04    0.949532E+00
  89    0.193054E-05    0.598112E+02 -0.322772E-07 0.100000E-04    0.953889E+00
  90    0.228445E-05    0.594094E+02 -0.384526E-07 0.100000E-04    0.981234E+00
  91    0.264174E-05    0.581326E+02 -0.454434E-07 0.100000E-04    0.932265E+00
  92   -0.364889E-05    0.558524E+02  0.653310E-07 0.100000E-04    0.956979E+00
  93    0.325476E-05    0.524358E+02 -0.620712E-07 0.100000E-04    0.988781E+00
  94    0.566215E-06    0.519936E+02 -0.108901E-07 0.100000E-04    0.853744E+00
  95    0.204917E-05    0.502981E+02 -0.407404E-07 0.100000E-04    0.889088E+00
  96   -0.111103E-05    0.461172E+02  0.240913E-07 0.100000E-04    0.937997E+00
  97    0.296868E-05    0.433958E+02 -0.684093E-07 0.100000E-04    0.887535E+00
  98    0.616702E-06    0.409273E+02 -0.150682E-07 0.100000E-04    0.458568E+00
  99    0.201121E-05    0.378637E+02 -0.531171E-07 0.100000E-04    0.788889E+00
 100    0.156443E-05    0.361743E+02 -0.432471E-07 0.100000E-04    0.895818E+00
 101   -0.107254E-04    0.322320E+02  0.332756E-06 0.100000E-04    0.950057E+00
 102    0.215539E-06    0.289342E+02 -0.744928E-08 0.100000E-04    0.319969E+02
 103    0.247644E-05    0.284585E+02 -0.870193E-07 0.100000E-04    0.965663E+00
 104    0.808753E-06    0.263268E+02 -0.307197E-07 0.100000E-04    0.740870E+00
 105    0.631771E-05    0.233232E+02 -0.270877E-06 0.100000E-04    0.937690E+00
 106    0.479368E-05    0.213507E+02 -0.224521E-06 0.100000E-04    0.973253E+00
 107   -0.213130E-04    0.198447E+02  0.107399E-05 0.100000E-04    0.930302E+00
 108   -0.235998E-04    0.164459E+02  0.143500E-05 0.100000E-04    0.939687E+00
 109    0.511632E-05    0.139145E+02 -0.367698E-06 0.100000E-04    0.962499E+00
 110    0.956866E-05    0.122454E+02 -0.781410E-06 0.100000E-04    0.849206E+00
 111   -0.344875E-05    0.100839E+02  0.342005E-06 0.100000E-04    0.758113E+00
 112    0.290446E-01    0.921057E+01 -0.100000E-04 0.100000E-04    0.563381E+00
 113   -0.104994E+00    0.576393E+01  0.222607E-04 0.222607E-04    0.195667E+00
 114   -0.914006E+00    0.313933E+01 -0.100000E-04 0.100000E-04    0.829095E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2226066826E-04    0.2699326347    

 Beginning of optimization cycle  704.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987930848
 potential> RMS force:                                               0.0862116869   |gradient|=.9204889269    
 Eigenvalues of the Hessian matrix:
   747.04900    673.92713    630.97336    600.50319    586.31743    578.90340 
   564.51409    487.41793    460.48243    459.71980    441.61003    429.50865 
   421.84316    407.78620    396.28126    387.32914    370.07564    360.58427 
   349.27530    335.36060    329.38844    321.80558    319.19143    309.28092 
   300.76104    290.60735    279.13882    272.78074    268.56298    264.98501 
   263.89352    253.15839    241.60644    240.80953    234.08858    227.55076 
   217.20575    214.90551    213.23278    207.72416    202.95877    195.35455 
   194.87743    191.40715    183.03125    174.42920    172.36071    168.24277 
   163.19049    156.85264    154.96177    152.23763    146.60800    143.30844 
   138.14354    135.87277    130.26703    128.86005    126.91808    123.96482 
   120.02937    118.18017    116.79612    110.38666    106.81095    104.47490 
   102.86289     99.50567     96.07080     94.08108     91.92916     91.25207 
    88.36923     85.63816     80.84304     80.56738     77.93491     73.26453 
    72.50018     67.88788     64.71025     61.30626     59.81095     59.40952 
    58.13255     55.85212     52.43567     51.99318     50.29872     46.11674 
    43.39640     40.92742     37.86365     36.17387     32.23166     28.93449 
    28.45857     26.32713     23.32309     21.35095     19.84461     16.44578 
    13.91454     12.24541     10.08386      9.21213      5.76411      3.13900 
overlap for current and previous eigenvector    109 is         0.9999999876
overlap for current and previous eigenvector    110 is         0.9999999984
overlap for current and previous eigenvector    111 is         0.9999999398
overlap for current and previous eigenvector    112 is         0.9999999082
overlap for current and previous eigenvector    113 is         0.9999999352
overlap for current and previous eigenvector    114 is         0.9999999652
J1,K1,R1,R2,RAT=   7   7    0.3710332162E-01     1.962886524        0.9628865241    
FOB,PFOB,DIAG,PSTEP=   -0.1684260228E-06   -0.1749160212E-06     747.0489982        0.2341438241E-09
J1,K1,R1,R2,RAT=   8   8   -0.4164335077E-01     2.041647796        0.9583566492    
FOB,PFOB,DIAG,PSTEP=   -0.4241641062E-06   -0.4072066928E-06     673.9271343        0.6042282124E-09
J1,K1,R1,R2,RAT=   9   9   -0.4805896484E-01     2.048049691        0.9519410352    
FOB,PFOB,DIAG,PSTEP=   -0.7480081668E-06   -0.7137079428E-06     630.9733619        0.1131127390E-08
J1,K1,R1,R2,RAT=  10  10   -0.5422927917         2.542300044        0.4577072083    
FOB,PFOB,DIAG,PSTEP=   -0.6369116656E-07   -0.4129646984E-07     600.5031859        0.6876952707E-10
J1,K1,R1,R2,RAT=  11  11     1.179224955        0.8207768469        0.1792231531    
FOB,PFOB,DIAG,PSTEP=    0.7593934045E-09   -0.4237121479E-08     586.3174302        0.7226661605E-11
J1,K1,R1,R2,RAT= 109 109   -0.1547257291E-01     2.015464091        0.9845274271    
FOB,PFOB,DIAG,PSTEP=    0.5195487918E-05    0.5116324873E-05     13.91453739       -0.3676979282E-06
J1,K1,R1,R2,RAT= 110 110   -0.1444478423         2.144444380        0.8555521577    
FOB,PFOB,DIAG,PSTEP=    0.1095083723E-04    0.9568662226E-05     12.24540567       -0.7814097018E-06
J1,K1,R1,R2,RAT= 111 111   -0.1023752027         2.102386211        0.8976247973    
FOB,PFOB,DIAG,PSTEP=   -0.3801815982E-05   -0.3448751310E-05     10.08385702        0.3420052783E-06
J1,K1,R1,R2,RAT= 112 112    0.4076511801         630.1657385        0.5923488199    
FOB,PFOB,DIAG,PSTEP=    0.2900706708E-01    0.2904462044E-01     9.212130075       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7750361315         1637.312990        0.2249638685    
FOB,PFOB,DIAG,PSTEP=   -0.1050939333       -0.1049944862         5.764109319        0.2226066826E-04
J1,K1,R1,R2,RAT= 114 114    0.1112528230        -58235.56191        0.8887471770    
FOB,PFOB,DIAG,PSTEP=   -0.9140096926       -0.9140062004         3.139002755       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00003 
     0.00001      0.00001     -0.00000      0.02901     -0.10509     -0.91401 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3803205167
 Log product of positive Hessian eigenvalues =          519.0785216995
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1390027552
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=       -0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000010
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000001
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000006
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000016
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000040
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000000
 Unscaled step for mode   44=        0.0000000091
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000037
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000071
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000088
 Unscaled step for mode   57=        0.0000000027
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000017
 Unscaled step for mode   61=        0.0000000076
 Unscaled step for mode   62=       -0.0000000071
 Unscaled step for mode   63=        0.0000000176
 Unscaled step for mode   64=       -0.0000000023
 Unscaled step for mode   65=        0.0000000109
 Unscaled step for mode   66=       -0.0000000062
 Unscaled step for mode   67=        0.0000000159
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=        0.0000000073
 Unscaled step for mode   72=       -0.0000000079
 Unscaled step for mode   73=        0.0000000016
 Unscaled step for mode   74=       -0.0000000002
 Unscaled step for mode   75=        0.0000000001
 Unscaled step for mode   76=       -0.0000000017
 Unscaled step for mode   77=       -0.0000000159
 Unscaled step for mode   78=       -0.0000000086
 Unscaled step for mode   79=       -0.0000000089
 Unscaled step for mode   80=        0.0000000074
 Unscaled step for mode   81=        0.0000000158
 Unscaled step for mode   82=       -0.0000000159
 Unscaled step for mode   83=       -0.0000000016
 Unscaled step for mode   84=       -0.0000000073
 Unscaled step for mode   85=       -0.0000000315
 Unscaled step for mode   86=        0.0000000088
 Unscaled step for mode   87=       -0.0000000164
 Unscaled step for mode   88=       -0.0000000143
 Unscaled step for mode   89=       -0.0000000334
 Unscaled step for mode   90=       -0.0000000400
 Unscaled step for mode   91=       -0.0000000502
 Unscaled step for mode   92=        0.0000000695
 Unscaled step for mode   93=       -0.0000000640
 Unscaled step for mode   94=       -0.0000000095
 Unscaled step for mode   95=       -0.0000000444
 Unscaled step for mode   96=        0.0000000269
 Unscaled step for mode   97=       -0.0000000760
 Unscaled step for mode   98=       -0.0000000197
 Unscaled step for mode   99=       -0.0000000626
 Unscaled step for mode  100=       -0.0000000478
 Unscaled step for mode  101=        0.0000003573
 Unscaled step for mode  102=       -0.0000000177
 Unscaled step for mode  103=       -0.0000000892
 Unscaled step for mode  104=       -0.0000000107
 Unscaled step for mode  105=       -0.0000002931
 Unscaled step for mode  106=       -0.0000002313
 Unscaled step for mode  107=        0.0000011690
 Unscaled step for mode  108=        0.0000015452
 Unscaled step for mode  109=       -0.0000003734
 Unscaled step for mode  110=       -0.0000008943
 Unscaled step for mode  111=        0.0000003770
 Unscaled step for mode  112=       -0.0031487592
 Unscaled step for mode  113=        0.0182264102
 Unscaled step for mode  114=       -0.2699580574
 Largest modulus ratio of non-zero e/values=           237.9892776    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.616044E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.176779E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.870422E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.140252E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.301191E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.371924E-14    0.974328E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.168426E-06    0.747049E+03  0.225455E-09 0.100000E-04    0.962887E+00
   8   -0.424164E-06    0.673927E+03  0.629392E-09 0.100000E-04    0.958357E+00
   9   -0.748008E-06    0.630973E+03  0.118548E-08 0.100000E-04    0.951941E+00
  10   -0.636912E-07    0.600503E+03  0.106063E-09 0.100000E-04    0.457707E+00
  11    0.759393E-09    0.586317E+03 -0.129519E-11 0.109000E-04    0.179223E+00
  12   -0.107040E-05    0.578903E+03  0.184902E-08 0.100000E-04    0.953687E+00
  13    0.425053E-07    0.564514E+03 -0.752953E-10 0.100000E-04    0.935907E+00
  14    0.445344E-06    0.487418E+03 -0.913681E-09 0.100000E-04    0.955152E+00
  15   -0.462937E-06    0.460482E+03  0.100533E-08 0.100000E-04    0.941615E+00
  16   -0.157646E-06    0.459720E+03  0.342918E-09 0.100000E-04    0.811452E+00
  17   -0.661760E-06    0.441610E+03  0.149852E-08 0.100000E-04    0.917667E+00
  18   -0.427754E-06    0.429509E+03  0.995914E-09 0.100000E-04    0.934888E+00
  19   -0.110531E-06    0.421843E+03  0.262020E-09 0.100000E-04    0.777141E+00
  20   -0.388548E-06    0.407786E+03  0.952822E-09 0.100000E-04    0.933405E+00
  21   -0.455204E-06    0.396281E+03  0.114869E-08 0.100000E-04    0.928229E+00
  22   -0.625453E-06    0.387329E+03  0.161478E-08 0.100000E-04    0.988151E+00
  23    0.848075E-06    0.370076E+03 -0.229162E-08 0.100000E-04    0.936115E+00
  24   -0.426844E-06    0.360584E+03  0.118376E-08 0.100000E-04    0.981361E+00
  25   -0.450936E-07    0.349275E+03  0.129106E-09 0.100000E-04    0.600500E+00
  26    0.289465E-07    0.335361E+03 -0.863147E-10 0.100000E-04    0.923627E+00
  27    0.422914E-06    0.329388E+03 -0.128394E-08 0.100000E-04    0.881138E+00
  28   -0.443953E-06    0.321806E+03  0.137957E-08 0.100000E-04    0.883814E+00
  29   -0.186059E-06    0.319191E+03  0.582908E-09 0.109000E-04    0.136736E+00
  30   -0.142656E-05    0.309281E+03  0.461250E-08 0.100000E-04    0.948595E+00
  31   -0.109113E-05    0.300761E+03  0.362791E-08 0.100000E-04    0.957592E+00
  32   -0.128201E-05    0.290607E+03  0.441149E-08 0.100000E-04    0.964969E+00
  33   -0.956453E-07    0.279139E+03  0.342644E-09 0.109000E-04    0.986639E-01
  34    0.322627E-07    0.272781E+03 -0.118273E-09 0.100000E-04    0.678819E+00
  35    0.103344E-05    0.268563E+03 -0.384805E-08 0.100000E-04    0.964366E+00
  36    0.122607E-05    0.264985E+03 -0.462694E-08 0.100000E-04    0.989112E+00
  37   -0.558708E-06    0.263894E+03  0.211717E-08 0.100000E-04    0.909169E+00
  38   -0.123021E-06    0.253158E+03  0.485944E-09 0.100000E-04    0.970292E+00
  39   -0.394540E-06    0.241606E+03  0.163299E-08 0.100000E-04    0.905017E+00
  40   -0.120081E-05    0.240810E+03  0.498657E-08 0.100000E-04    0.991690E+00
  41   -0.942186E-06    0.234089E+03  0.402491E-08 0.100000E-04    0.980547E+00
  42   -0.173942E-05    0.227551E+03  0.764410E-08 0.100000E-04    0.956118E+00
  43    0.868918E-08    0.217206E+03 -0.400044E-10 0.100000E-04    0.641222E+00
  44   -0.195742E-05    0.214906E+03  0.910827E-08 0.100000E-04    0.973984E+00
  45    0.711519E-06    0.213233E+03 -0.333682E-08 0.100000E-04    0.998361E+00
  46    0.105976E-05    0.207724E+03 -0.510175E-08 0.100000E-04    0.997974E+00
  47   -0.743909E-06    0.202959E+03  0.366532E-08 0.100000E-04    0.980622E+00
  48   -0.131431E-05    0.195355E+03  0.672783E-08 0.100000E-04    0.915619E+00
  49    0.101487E-05    0.194877E+03 -0.520773E-08 0.100000E-04    0.957554E+00
  50    0.135782E-05    0.191407E+03 -0.709391E-08 0.100000E-04    0.885022E+00
  51    0.254767E-06    0.183031E+03 -0.139193E-08 0.100000E-04    0.856091E+00
  52   -0.662377E-06    0.174429E+03  0.379740E-08 0.100000E-04    0.916542E+00
  53   -0.134490E-06    0.172361E+03  0.780279E-09 0.100000E-04    0.879223E+00
  54   -0.195984E-06    0.168243E+03  0.116489E-08 0.100000E-04    0.940139E+00
  55    0.782357E-06    0.163190E+03 -0.479413E-08 0.100000E-04    0.995744E+00
  56    0.137347E-05    0.156853E+03 -0.875640E-08 0.100000E-04    0.976018E+00
  57   -0.411929E-06    0.154962E+03  0.265826E-08 0.100000E-04    0.866328E+00
  58   -0.906983E-06    0.152238E+03  0.595768E-08 0.100000E-04    0.990914E+00
  59   -0.601206E-06    0.146608E+03  0.410077E-08 0.100000E-04    0.994514E+00
  60    0.241070E-06    0.143308E+03 -0.168218E-08 0.100000E-04    0.765873E+00
  61   -0.105181E-05    0.138144E+03  0.761390E-08 0.100000E-04    0.829890E+00
  62    0.967585E-06    0.135873E+03 -0.712126E-08 0.100000E-04    0.959430E+00
  63   -0.228774E-05    0.130267E+03  0.175620E-07 0.100000E-04    0.913831E+00
  64    0.297644E-06    0.128860E+03 -0.230982E-08 0.100000E-04    0.340449E+00
  65   -0.138830E-05    0.126918E+03  0.109386E-07 0.100000E-04    0.902383E+00
  66    0.770946E-06    0.123965E+03 -0.621907E-08 0.100000E-04    0.903741E+00
  67   -0.190873E-05    0.120029E+03  0.159022E-07 0.100000E-04    0.962290E+00
  68    0.470615E-06    0.118180E+03 -0.398218E-08 0.100000E-04    0.940049E+00
  69   -0.666597E-07    0.116796E+03  0.570736E-09 0.109000E-04    0.122408E+00
  70    0.137133E-05    0.110387E+03 -0.124229E-07 0.100000E-04    0.950651E+00
  71   -0.780131E-06    0.106811E+03  0.730385E-08 0.100000E-04    0.914722E+00
  72    0.822549E-06    0.104475E+03 -0.787317E-08 0.100000E-04    0.854787E+00
  73   -0.160966E-06    0.102863E+03  0.156486E-08 0.100000E-04    0.726717E+00
  74    0.179575E-07    0.995057E+02 -0.180467E-09 0.100000E-04    0.375778E+00
  75   -0.930966E-08    0.960708E+02  0.969041E-10 0.109000E-04    0.834287E-01
  76    0.158267E-06    0.940811E+02 -0.168224E-08 0.100000E-04    0.859831E+00
  77    0.146596E-05    0.919292E+02 -0.159467E-07 0.100000E-04    0.965761E+00
  78    0.783960E-06    0.912521E+02 -0.859115E-08 0.100000E-04    0.957209E+00
  79    0.785869E-06    0.883692E+02 -0.889302E-08 0.100000E-04    0.957309E+00
  80   -0.633621E-06    0.856382E+02  0.739882E-08 0.100000E-04    0.919201E+00
  81   -0.127892E-05    0.808430E+02  0.158197E-07 0.100000E-04    0.986353E+00
  82    0.128278E-05    0.805674E+02 -0.159218E-07 0.100000E-04    0.937422E+00
  83    0.125963E-06    0.779349E+02 -0.161626E-08 0.100000E-04    0.671711E+00
  84    0.535901E-06    0.732645E+02 -0.731460E-08 0.100000E-04    0.466121E+00
  85    0.228708E-05    0.725002E+02 -0.315458E-07 0.100000E-04    0.906474E+00
  86   -0.594237E-06    0.678879E+02  0.875322E-08 0.100000E-04    0.830577E+00
  87    0.106408E-05    0.647103E+02 -0.164438E-07 0.100000E-04    0.765496E+00
  88    0.874953E-06    0.613063E+02 -0.142718E-07 0.100000E-04    0.943623E+00
  89    0.199831E-05    0.598109E+02 -0.334105E-07 0.100000E-04    0.964895E+00
  90    0.237377E-05    0.594095E+02 -0.399561E-07 0.100000E-04    0.960899E+00
  91    0.291798E-05    0.581325E+02 -0.501953E-07 0.100000E-04    0.895433E+00
  92   -0.388348E-05    0.558521E+02  0.695315E-07 0.100000E-04    0.935708E+00
  93    0.335621E-05    0.524357E+02 -0.640062E-07 0.100000E-04    0.968830E+00
  94    0.492866E-06    0.519932E+02 -0.947943E-08 0.100000E-04    0.870456E+00
  95    0.223239E-05    0.502987E+02 -0.443827E-07 0.100000E-04    0.910588E+00
  96   -0.124193E-05    0.461167E+02  0.269301E-07 0.100000E-04    0.882179E+00
  97    0.329797E-05    0.433964E+02 -0.759964E-07 0.100000E-04    0.889079E+00
  98    0.807156E-06    0.409274E+02 -0.197216E-07 0.100000E-04    0.691174E+00
  99    0.237045E-05    0.378636E+02 -0.626049E-07 0.100000E-04    0.821381E+00
 100    0.173046E-05    0.361739E+02 -0.478372E-07 0.100000E-04    0.893874E+00
 101   -0.115178E-04    0.322317E+02  0.357344E-06 0.100000E-04    0.926120E+00
 102    0.513569E-06    0.289345E+02 -0.177494E-07 0.100000E-04    0.382706E+00
 103    0.253873E-05    0.284586E+02 -0.892078E-07 0.100000E-04    0.974848E+00
 104    0.280606E-06    0.263271E+02 -0.106584E-07 0.100000E-04    0.346945E+00
 105    0.683594E-05    0.233231E+02 -0.293098E-06 0.100000E-04    0.917971E+00
 106    0.493902E-05    0.213509E+02 -0.231325E-06 0.100000E-04    0.969682E+00
 107   -0.231981E-04    0.198446E+02  0.116899E-05 0.100000E-04    0.911552E+00
 108   -0.254123E-04    0.164458E+02  0.154522E-05 0.100000E-04    0.923199E+00
 109    0.519549E-05    0.139145E+02 -0.373386E-06 0.100000E-04    0.984527E+00
 110    0.109508E-04    0.122454E+02 -0.894281E-06 0.100000E-04    0.855552E+00
 111   -0.380182E-05    0.100839E+02  0.377020E-06 0.100000E-04    0.897625E+00
 112    0.290071E-01    0.921213E+01 -0.100000E-04 0.100000E-04    0.592349E+00
 113   -0.105094E+00    0.576411E+01  0.200547E-04 0.200547E-04    0.224964E+00
 114   -0.914010E+00    0.313900E+01 -0.100000E-04 0.100000E-04    0.888747E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2005465609E-04    0.2699580574    

 Beginning of optimization cycle  705.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987863407
 potential> RMS force:                                               0.0862130982   |gradient|=.9205039963    
 Eigenvalues of the Hessian matrix:
   747.05269    673.92587    630.97618    600.50098    586.31698    578.90345 
   564.51013    487.41758    460.48120    459.71928    441.60952    429.50988 
   421.84254    407.78466    396.28071    387.32778    370.07608    360.58442 
   349.27461    335.36123    329.38925    321.80534    319.19208    309.27981 
   300.76047    290.60741    279.14025    272.78119    268.56323    264.98532 
   263.89403    253.15781    241.60681    240.80982    234.08932    227.55107 
   217.20649    214.90564    213.23250    207.72463    202.95838    195.35377 
   194.87778    191.40759    183.03197    174.42991    172.36095    168.24304 
   163.19019    156.85243    154.96227    152.23746    146.60745    143.30805 
   138.14404    135.87276    130.26680    128.86024    126.91827    123.96373 
   120.02956    118.18030    116.79571    110.38690    106.81082    104.47510 
   102.86297     99.50560     96.07061     94.08086     91.92877     91.25227 
    88.36873     85.63845     80.84313     80.56802     77.93469     73.26433 
    72.49963     67.88758     64.70983     61.30585     59.81066     59.40960 
    58.13253     55.85190     52.43558     51.99283     50.29929     46.11634 
    43.39695     40.92753     37.86361     36.17354     32.23130     28.93483 
    28.45863     26.32742     23.32299     21.35120     19.84451     16.44568 
    13.91460     12.24543     10.08380      9.21359      5.76426      3.13869 
overlap for current and previous eigenvector    109 is         0.9999999893
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999492
overlap for current and previous eigenvector    112 is         0.9999999213
overlap for current and previous eigenvector    113 is         0.9999999429
overlap for current and previous eigenvector    114 is         0.9999999697
J1,K1,R1,R2,RAT=   7   7   -0.1156391201E-01     2.011554041        0.9884360880    
FOB,PFOB,DIAG,PSTEP=   -0.1703736961E-06   -0.1684260228E-06     747.0526852        0.2254551217E-09
J1,K1,R1,R2,RAT=   8   8    0.4750779914E-01     1.952495949        0.9524922009    
FOB,PFOB,DIAG,PSTEP=   -0.4040130408E-06   -0.4241641062E-06     673.9258714        0.6293916429E-09
J1,K1,R1,R2,RAT=   9   9    0.5307144321E-01     1.946919639        0.9469196391    
FOB,PFOB,DIAG,PSTEP=   -0.7083101169E-06   -0.7480081668E-06     630.9761753        0.1185482957E-08
J1,K1,R1,R2,RAT=  10  10    0.4469602050         1.553047142        0.5530397950    
FOB,PFOB,DIAG,PSTEP=   -0.3522385427E-07   -0.6369116656E-07     600.5009801        0.1060629953E-09
J1,K1,R1,R2,RAT=  11  11     3.686923521        -1.686921975        0.6869219745    
FOB,PFOB,DIAG,PSTEP=   -0.2040429835E-08    0.7593934045E-09     586.3169767       -0.1295191590E-11
J1,K1,R1,R2,RAT= 109 109    0.4754067823E-01     1.952450968        0.9524509675    
FOB,PFOB,DIAG,PSTEP=    0.4948489867E-05    0.5195487918E-05     13.91459551       -0.3733856018E-06
J1,K1,R1,R2,RAT= 110 110    0.1485324196         1.851463947        0.8514639470    
FOB,PFOB,DIAG,PSTEP=    0.9324279926E-05    0.1095083723E-04     12.24542791       -0.8942812945E-06
J1,K1,R1,R2,RAT= 111 111    0.1969807866         1.803030855        0.8030192134    
FOB,PFOB,DIAG,PSTEP=   -0.3052935638E-05   -0.3801815982E-05     10.08379833        0.3770200205E-06
J1,K1,R1,R2,RAT= 112 112    0.4431268958         629.2152009        0.5568731042    
FOB,PFOB,DIAG,PSTEP=    0.2896623919E-01    0.2900706708E-01     9.213589593       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8387345121         1819.067747        0.1612654879    
FOB,PFOB,DIAG,PSTEP=   -0.1051908913       -0.1050939333         5.764263696        0.2005465609E-04
J1,K1,R1,R2,RAT= 114 114    0.1694252320        -58241.72689        0.8305747680    
FOB,PFOB,DIAG,PSTEP=   -0.9140150103       -0.9140096926         3.138685614       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00002 
     0.00000      0.00001     -0.00000      0.02897     -0.10519     -0.91402 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3802986904
 Log product of positive Hessian eigenvalues =          519.0785801522
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1386856136
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000049
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000012
 Unscaled step for mode   61=        0.0000000063
 Unscaled step for mode   62=       -0.0000000069
 Unscaled step for mode   63=        0.0000000161
 Unscaled step for mode   64=       -0.0000000014
 Unscaled step for mode   65=        0.0000000097
 Unscaled step for mode   66=       -0.0000000055
 Unscaled step for mode   67=       -0.0000000153
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000117
 Unscaled step for mode   71=        0.0000000067
 Unscaled step for mode   72=       -0.0000000093
 Unscaled step for mode   73=        0.0000000012
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=       -0.0000000014
 Unscaled step for mode   76=       -0.0000000014
 Unscaled step for mode   77=        0.0000000167
 Unscaled step for mode   78=        0.0000000083
 Unscaled step for mode   79=       -0.0000000087
 Unscaled step for mode   80=        0.0000000068
 Unscaled step for mode   81=        0.0000000157
 Unscaled step for mode   82=       -0.0000000148
 Unscaled step for mode   83=       -0.0000000025
 Unscaled step for mode   84=       -0.0000000043
 Unscaled step for mode   85=       -0.0000000280
 Unscaled step for mode   86=        0.0000000073
 Unscaled step for mode   87=       -0.0000000131
 Unscaled step for mode   88=       -0.0000000152
 Unscaled step for mode   89=       -0.0000000316
 Unscaled step for mode   90=       -0.0000000389
 Unscaled step for mode   91=       -0.0000000462
 Unscaled step for mode   92=        0.0000000659
 Unscaled step for mode   93=       -0.0000000630
 Unscaled step for mode   94=       -0.0000000117
 Unscaled step for mode   95=       -0.0000000393
 Unscaled step for mode   96=        0.0000000250
 Unscaled step for mode   97=       -0.0000000669
 Unscaled step for mode   98=       -0.0000000129
 Unscaled step for mode   99=       -0.0000000509
 Unscaled step for mode  100=       -0.0000000426
 Unscaled step for mode  101=        0.0000003362
 Unscaled step for mode  102=       -0.0000000077
 Unscaled step for mode  103=       -0.0000000856
 Unscaled step for mode  104=       -0.0000000246
 Unscaled step for mode  105=       -0.0000002724
 Unscaled step for mode  106=       -0.0000002229
 Unscaled step for mode  107=        0.0000010785
 Unscaled step for mode  108=        0.0000014383
 Unscaled step for mode  109=       -0.0000003556
 Unscaled step for mode  110=       -0.0000007614
 Unscaled step for mode  111=        0.0000003028
 Unscaled step for mode  112=       -0.0031438293
 Unscaled step for mode  113=        0.0182427262
 Unscaled step for mode  114=       -0.2699829858
 Largest modulus ratio of non-zero e/values=           238.0144994    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.189670E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.242205E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.144522E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.484638E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.734271E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.442133E-14    0.974328E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170374E-06    0.747053E+03  0.228061E-09 0.100000E-04    0.988436E+00
   8   -0.404013E-06    0.673926E+03  0.599492E-09 0.100000E-04    0.952492E+00
   9   -0.708310E-06    0.630976E+03  0.112256E-08 0.100000E-04    0.946920E+00
  10   -0.352239E-07    0.600501E+03  0.586574E-10 0.100000E-04    0.553040E+00
  11   -0.204043E-08    0.586317E+03  0.348008E-11 0.100000E-04    0.686922E+00
  12   -0.101065E-05    0.578903E+03  0.174580E-08 0.100000E-04    0.944176E+00
  13    0.468629E-07    0.564510E+03 -0.830151E-10 0.100000E-04    0.897479E+00
  14    0.415307E-06    0.487418E+03 -0.852056E-09 0.100000E-04    0.932553E+00
  15   -0.435008E-06    0.460481E+03  0.944681E-09 0.100000E-04    0.939670E+00
  16   -0.129848E-06    0.459719E+03  0.282451E-09 0.100000E-04    0.823668E+00
  17   -0.602462E-06    0.441610E+03  0.136424E-08 0.100000E-04    0.910394E+00
  18   -0.398139E-06    0.429510E+03  0.926962E-09 0.100000E-04    0.930762E+00
  19   -0.150605E-06    0.421843E+03  0.357018E-09 0.100000E-04    0.637442E+00
  20   -0.358926E-06    0.407785E+03  0.880185E-09 0.100000E-04    0.923763E+00
  21   -0.418449E-06    0.396281E+03  0.105594E-08 0.100000E-04    0.919255E+00
  22   -0.621273E-06    0.387328E+03  0.160400E-08 0.100000E-04    0.993317E+00
  23    0.783335E-06    0.370076E+03 -0.211669E-08 0.100000E-04    0.923660E+00
  24   -0.417905E-06    0.360584E+03  0.115896E-08 0.100000E-04    0.979056E+00
  25   -0.859435E-07    0.349275E+03  0.246063E-09 0.109000E-04    0.941052E-01
  26   -0.297067E-07    0.335361E+03  0.885812E-10 0.100000E-04    0.973740E+00
  27    0.378497E-06    0.329389E+03 -0.114909E-08 0.100000E-04    0.894968E+00
  28   -0.398848E-06    0.321805E+03  0.123941E-08 0.100000E-04    0.898401E+00
  29   -0.111018E-06    0.319192E+03  0.347809E-09 0.100000E-04    0.596676E+00
  30   -0.137405E-05    0.309280E+03  0.444274E-08 0.100000E-04    0.963192E+00
  31   -0.104416E-05    0.300760E+03  0.347174E-08 0.100000E-04    0.956950E+00
  32   -0.124370E-05    0.290607E+03  0.427965E-08 0.100000E-04    0.970114E+00
  33   -0.433057E-07    0.279140E+03  0.155139E-09 0.100000E-04    0.452766E+00
  34   -0.221394E-07    0.272781E+03  0.811616E-10 0.100000E-04    0.686219E+00
  35    0.100245E-05    0.268563E+03 -0.373264E-08 0.100000E-04    0.970006E+00
  36    0.120953E-05    0.264985E+03 -0.456453E-08 0.100000E-04    0.986509E+00
  37   -0.502717E-06    0.263894E+03  0.190499E-08 0.100000E-04    0.899780E+00
  38   -0.127040E-06    0.253158E+03  0.501822E-09 0.100000E-04    0.967328E+00
  39   -0.438643E-06    0.241607E+03  0.181552E-08 0.100000E-04    0.888218E+00
  40   -0.118569E-05    0.240810E+03  0.492376E-08 0.100000E-04    0.987404E+00
  41   -0.953219E-06    0.234089E+03  0.407203E-08 0.100000E-04    0.988290E+00
  42   -0.167913E-05    0.227551E+03  0.737913E-08 0.100000E-04    0.965336E+00
  43    0.110205E-07    0.217206E+03 -0.507373E-10 0.100000E-04    0.731702E+00
  44   -0.189692E-05    0.214906E+03  0.882677E-08 0.100000E-04    0.969093E+00
  45    0.724527E-06    0.213233E+03 -0.339783E-08 0.100000E-04    0.981718E+00
  46    0.104357E-05    0.207725E+03 -0.502381E-08 0.100000E-04    0.984719E+00
  47   -0.719246E-06    0.202958E+03  0.354381E-08 0.100000E-04    0.966846E+00
  48   -0.121966E-05    0.195354E+03  0.624333E-08 0.100000E-04    0.927982E+00
  49    0.962758E-06    0.194878E+03 -0.494031E-08 0.100000E-04    0.948649E+00
  50    0.119353E-05    0.191408E+03 -0.623552E-08 0.100000E-04    0.878994E+00
  51    0.221233E-06    0.183032E+03 -0.120871E-08 0.100000E-04    0.868368E+00
  52   -0.615540E-06    0.174430E+03  0.352887E-08 0.100000E-04    0.929282E+00
  53   -0.158546E-06    0.172361E+03  0.919850E-09 0.100000E-04    0.821126E+00
  54   -0.212090E-06    0.168243E+03  0.126062E-08 0.100000E-04    0.917822E+00
  55    0.793165E-06    0.163190E+03 -0.486037E-08 0.100000E-04    0.986185E+00
  56    0.133507E-05    0.156852E+03 -0.851162E-08 0.100000E-04    0.972043E+00
  57   -0.342814E-06    0.154962E+03  0.221224E-08 0.100000E-04    0.832212E+00
  58   -0.912380E-06    0.152237E+03  0.599314E-08 0.100000E-04    0.994049E+00
  59   -0.602586E-06    0.146607E+03  0.411020E-08 0.100000E-04    0.997705E+00
  60    0.177012E-06    0.143308E+03 -0.123518E-08 0.100000E-04    0.734273E+00
  61   -0.864176E-06    0.138144E+03  0.625562E-08 0.100000E-04    0.821602E+00
  62    0.935362E-06    0.135873E+03 -0.688410E-08 0.100000E-04    0.966698E+00
  63   -0.210269E-05    0.130267E+03  0.161414E-07 0.100000E-04    0.919109E+00
  64    0.181444E-06    0.128860E+03 -0.140806E-08 0.100000E-04    0.609597E+00
  65   -0.122597E-05    0.126918E+03  0.965953E-08 0.100000E-04    0.883069E+00
  66    0.686788E-06    0.123964E+03 -0.554024E-08 0.100000E-04    0.890837E+00
  67    0.183532E-05    0.120030E+03 -0.152906E-07 0.100000E-04    0.961539E+00
  68    0.439098E-06    0.118180E+03 -0.371550E-08 0.100000E-04    0.933029E+00
  69    0.606187E-08    0.116796E+03 -0.519015E-10 0.118810E-04    0.909344E-01
  70    0.129540E-05    0.110387E+03 -0.117351E-07 0.100000E-04    0.944627E+00
  71   -0.710764E-06    0.106811E+03  0.665442E-08 0.100000E-04    0.911083E+00
  72    0.975093E-06    0.104475E+03 -0.933326E-08 0.100000E-04    0.814547E+00
  73   -0.119726E-06    0.102863E+03  0.116394E-08 0.100000E-04    0.743797E+00
  74    0.639142E-07    0.995056E+02 -0.642318E-09 0.100000E-04    0.155920E+01
  75    0.138582E-06    0.960706E+02 -0.144250E-08 0.100000E-04    0.128858E+02
  76    0.134325E-06    0.940809E+02 -0.142776E-08 0.100000E-04    0.848724E+00
  77   -0.153931E-05    0.919288E+02  0.167446E-07 0.100000E-04    0.949968E+00
  78   -0.756632E-06    0.912523E+02  0.829165E-08 0.100000E-04    0.965137E+00
  79    0.771681E-06    0.883687E+02 -0.873252E-08 0.100000E-04    0.981946E+00
  80   -0.580445E-06    0.856384E+02  0.677785E-08 0.100000E-04    0.916068E+00
  81   -0.127290E-05    0.808431E+02  0.157453E-07 0.100000E-04    0.995295E+00
  82    0.119253E-05    0.805680E+02 -0.148016E-07 0.100000E-04    0.929632E+00
  83    0.191266E-06    0.779347E+02 -0.245418E-08 0.100000E-04    0.481571E+00
  84    0.316732E-06    0.732643E+02 -0.432314E-08 0.100000E-04    0.591026E+00
  85    0.202851E-05    0.724996E+02 -0.279796E-07 0.100000E-04    0.886942E+00
  86   -0.494631E-06    0.678876E+02  0.728603E-08 0.100000E-04    0.832378E+00
  87    0.850567E-06    0.647098E+02 -0.131443E-07 0.100000E-04    0.799342E+00
  88    0.932899E-06    0.613058E+02 -0.152171E-07 0.100000E-04    0.933772E+00
  89    0.188723E-05    0.598107E+02 -0.315534E-07 0.100000E-04    0.944412E+00
  90    0.231077E-05    0.594096E+02 -0.388955E-07 0.100000E-04    0.973455E+00
  91    0.268737E-05    0.581325E+02 -0.462283E-07 0.100000E-04    0.920969E+00
  92   -0.368180E-05    0.558519E+02  0.659207E-07 0.100000E-04    0.948066E+00
  93    0.330121E-05    0.524356E+02 -0.629575E-07 0.100000E-04    0.983614E+00
  94    0.610019E-06    0.519928E+02 -0.117327E-07 0.100000E-04    0.762301E+00
  95    0.197738E-05    0.502993E+02 -0.393122E-07 0.100000E-04    0.885745E+00
  96   -0.115427E-05    0.461163E+02  0.250295E-07 0.100000E-04    0.929417E+00
  97    0.290136E-05    0.433969E+02 -0.668562E-07 0.100000E-04    0.879717E+00
  98    0.529596E-06    0.409275E+02 -0.129399E-07 0.100000E-04    0.656122E+00
  99    0.192743E-05    0.378636E+02 -0.509045E-07 0.100000E-04    0.813106E+00
 100    0.153923E-05    0.361735E+02 -0.425512E-07 0.100000E-04    0.889490E+00
 101   -0.108358E-04    0.322313E+02  0.336189E-06 0.100000E-04    0.940789E+00
 102    0.224196E-06    0.289348E+02 -0.774833E-08 0.100000E-04    0.436530E+00
 103    0.243579E-05    0.284586E+02 -0.855905E-07 0.100000E-04    0.959449E+00
 104    0.647051E-06    0.263274E+02 -0.245771E-07 0.100000E-04    0.305893E+00
 105    0.635382E-05    0.233230E+02 -0.272427E-06 0.100000E-04    0.929471E+00
 106    0.475876E-05    0.213512E+02 -0.222880E-06 0.100000E-04    0.963482E+00
 107   -0.214014E-04    0.198445E+02  0.107846E-05 0.100000E-04    0.922552E+00
 108   -0.236540E-04    0.164457E+02  0.143831E-05 0.100000E-04    0.930808E+00
 109    0.494849E-05    0.139146E+02 -0.355633E-06 0.100000E-04    0.952451E+00
 110    0.932428E-05    0.122454E+02 -0.761450E-06 0.100000E-04    0.851464E+00
 111   -0.305294E-05    0.100838E+02  0.302757E-06 0.100000E-04    0.803019E+00
 112    0.289662E-01    0.921359E+01 -0.100000E-04 0.100000E-04    0.556873E+00
 113   -0.105191E+00    0.576426E+01  0.218596E-04 0.218596E-04    0.161265E+00
 114   -0.914015E+00    0.313869E+01 -0.100000E-04 0.100000E-04    0.830575E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2185957514E-04    0.2699829858    

 Beginning of optimization cycle  706.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987797877
 potential> RMS force:                                               0.0862143972   |gradient|=.9205178650    
 Eigenvalues of the Hessian matrix:
   747.05645    673.92440    630.97907    600.49880    586.31646    578.90349 
   564.50594    487.41712    460.47994    459.71875    441.60897    429.51126 
   421.84189    407.78303    396.28013    387.32638    370.07653    360.58461 
   349.27396    335.36190    329.39011    321.80503    319.19285    309.27865 
   300.75996    290.60749    279.14179    272.78167    268.56356    264.98563 
   263.89463    253.15727    241.60726    240.81011    234.09015    227.55144 
   217.20731    214.90577    213.23222    207.72514    202.95797    195.35298 
   194.87818    191.40804    183.03275    174.43067    172.36121    168.24334 
   163.18987    156.85222    154.96280    152.23727    146.60687    143.30763 
   138.14457    135.87275    130.26654    128.86045    126.91846    123.96258 
   120.02975    118.18041    116.79526    110.38715    106.81066    104.47530 
   102.86304     99.50553     96.07039     94.08061     91.92838     91.25249 
    88.36822     85.63875     80.84323     80.56870     77.93445     73.26409 
    72.49902     67.88723     64.70939     61.30544     59.81036     59.40967 
    58.13248     55.85164     52.43546     51.99244     50.29988     46.11591 
    43.39753     40.92763     37.86355     36.17313     32.23093     28.93516 
    28.45869     26.32773     23.32289     21.35143     19.84443     16.44558 
    13.91465     12.24545     10.08374      9.21513      5.76443      3.13836 
overlap for current and previous eigenvector    109 is         0.9999999879
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999407
overlap for current and previous eigenvector    112 is         0.9999999099
overlap for current and previous eigenvector    113 is         0.9999999369
overlap for current and previous eigenvector    114 is         0.9999999662
J1,K1,R1,R2,RAT=   7   7    0.5491452702E-02     1.994498469        0.9944984693    
FOB,PFOB,DIAG,PSTEP=   -0.1694380923E-06   -0.1703736961E-06     747.0564496        0.2280611522E-09
J1,K1,R1,R2,RAT=   8   8   -0.4071867140E-01     2.040723036        0.9592813286    
FOB,PFOB,DIAG,PSTEP=   -0.4204638792E-06   -0.4040130408E-06     673.9244008        0.5994918105E-09
J1,K1,R1,R2,RAT=   9   9   -0.4470276946E-01     2.044693591        0.9552972305    
FOB,PFOB,DIAG,PSTEP=   -0.7399736860E-06   -0.7083101169E-06     630.9790710        0.1122562380E-08
J1,K1,R1,R2,RAT=  10  10   -0.6836163353         2.683623581        0.3163836647    
FOB,PFOB,DIAG,PSTEP=   -0.5930336919E-07   -0.3522385427E-07     600.4988045        0.5865744675E-10
J1,K1,R1,R2,RAT=  11  11    0.6160622699         1.383939491        0.3839377301    
FOB,PFOB,DIAG,PSTEP=   -0.7833991063E-09   -0.2040429835E-08     586.3164604        0.3480079745E-11
J1,K1,R1,R2,RAT= 109 109   -0.3901585919E-01     2.039007324        0.9609841408    
FOB,PFOB,DIAG,PSTEP=    0.5141560275E-05    0.4948489867E-05     13.91465489       -0.3556330374E-06
J1,K1,R1,R2,RAT= 110 110   -0.1439221855         2.143918443        0.8560778145    
FOB,PFOB,DIAG,PSTEP=    0.1066625318E-04    0.9324279926E-05     12.24545083       -0.7614499054E-06
J1,K1,R1,R2,RAT= 111 111   -0.2353584156         2.235369280        0.7646415844    
FOB,PFOB,DIAG,PSTEP=   -0.3771465830E-05   -0.3052935638E-05     10.08374355        0.3027565149E-06
J1,K1,R1,R2,RAT= 112 112    0.4147295318         628.2523605        0.5852704682    
FOB,PFOB,DIAG,PSTEP=    0.2892802133E-01    0.2896623919E-01     9.215128213       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7831424910         1670.372709        0.2168575090    
FOB,PFOB,DIAG,PSTEP=   -0.1052895736       -0.1051908913         5.764434277        0.2185957514E-04
J1,K1,R1,R2,RAT= 114 114    0.1215658203        -58248.11412        0.8784341797    
FOB,PFOB,DIAG,PSTEP=   -0.9140188255       -0.9140150103         3.138357118       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00001      0.00000 
     0.00000      0.00000      0.00001      0.00000     -0.00002     -0.00003 
     0.00001      0.00001     -0.00000      0.02893     -0.10529     -0.91402 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3802783753
 Log product of positive Hessian eigenvalues =          519.0786427931
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1383571183
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000001
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000040
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=        0.0000000026
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=       -0.0000000016
 Unscaled step for mode   61=        0.0000000074
 Unscaled step for mode   62=       -0.0000000070
 Unscaled step for mode   63=        0.0000000173
 Unscaled step for mode   64=       -0.0000000022
 Unscaled step for mode   65=        0.0000000107
 Unscaled step for mode   66=       -0.0000000061
 Unscaled step for mode   67=       -0.0000000158
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000005
 Unscaled step for mode   70=       -0.0000000123
 Unscaled step for mode   71=        0.0000000072
 Unscaled step for mode   72=       -0.0000000081
 Unscaled step for mode   73=        0.0000000015
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=       -0.0000000002
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=       -0.0000000161
 Unscaled step for mode   78=        0.0000000085
 Unscaled step for mode   79=       -0.0000000088
 Unscaled step for mode   80=        0.0000000073
 Unscaled step for mode   81=        0.0000000158
 Unscaled step for mode   82=       -0.0000000157
 Unscaled step for mode   83=       -0.0000000017
 Unscaled step for mode   84=       -0.0000000068
 Unscaled step for mode   85=       -0.0000000310
 Unscaled step for mode   86=        0.0000000084
 Unscaled step for mode   87=       -0.0000000159
 Unscaled step for mode   88=       -0.0000000144
 Unscaled step for mode   89=       -0.0000000331
 Unscaled step for mode   90=       -0.0000000396
 Unscaled step for mode   91=       -0.0000000493
 Unscaled step for mode   92=        0.0000000688
 Unscaled step for mode   93=       -0.0000000637
 Unscaled step for mode   94=       -0.0000000097
 Unscaled step for mode   95=       -0.0000000437
 Unscaled step for mode   96=        0.0000000266
 Unscaled step for mode   97=       -0.0000000742
 Unscaled step for mode   98=       -0.0000000186
 Unscaled step for mode   99=       -0.0000000609
 Unscaled step for mode  100=       -0.0000000469
 Unscaled step for mode  101=        0.0000003533
 Unscaled step for mode  102=       -0.0000000160
 Unscaled step for mode  103=       -0.0000000887
 Unscaled step for mode  104=       -0.0000000128
 Unscaled step for mode  105=       -0.0000002896
 Unscaled step for mode  106=       -0.0000002291
 Unscaled step for mode  107=        0.0000011541
 Unscaled step for mode  108=        0.0000015264
 Unscaled step for mode  109=       -0.0000003695
 Unscaled step for mode  110=       -0.0000008710
 Unscaled step for mode  111=        0.0000003740
 Unscaled step for mode  112=       -0.0031391572
 Unscaled step for mode  113=        0.0182592887
 Unscaled step for mode  114=       -0.2700083788
 Largest modulus ratio of non-zero e/values=           238.0406122    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.845136E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.163162E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.482362E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.499709E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.395791E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.489508E-14    0.974329E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.169438E-06    0.747056E+03  0.226808E-09 0.100000E-04    0.994498E+00
   8   -0.420464E-06    0.673924E+03  0.623904E-09 0.100000E-04    0.959281E+00
   9   -0.739974E-06    0.630979E+03  0.117274E-08 0.100000E-04    0.955297E+00
  10   -0.593034E-07    0.600499E+03  0.987568E-10 0.100000E-04    0.316384E+00
  11   -0.783399E-09    0.586316E+03  0.133614E-11 0.100000E-04    0.383938E+00
  12   -0.105958E-05    0.578903E+03  0.183032E-08 0.100000E-04    0.951585E+00
  13    0.428697E-07    0.564506E+03 -0.759420E-10 0.100000E-04    0.914790E+00
  14    0.441023E-06    0.487417E+03 -0.904817E-09 0.100000E-04    0.938078E+00
  15   -0.457550E-06    0.460480E+03  0.993637E-09 0.100000E-04    0.948179E+00
  16   -0.152728E-06    0.459719E+03  0.332220E-09 0.100000E-04    0.823799E+00
  17   -0.651724E-06    0.441609E+03  0.147579E-08 0.100000E-04    0.918232E+00
  18   -0.421096E-06    0.429511E+03  0.980407E-09 0.100000E-04    0.942341E+00
  19   -0.116382E-06    0.421842E+03  0.275889E-09 0.100000E-04    0.772759E+00
  20   -0.382847E-06    0.407783E+03  0.938850E-09 0.100000E-04    0.933354E+00
  21   -0.448203E-06    0.396280E+03  0.113103E-08 0.100000E-04    0.928893E+00
  22   -0.622974E-06    0.387326E+03  0.160839E-08 0.100000E-04    0.997262E+00
  23    0.836215E-06    0.370077E+03 -0.225957E-08 0.100000E-04    0.932493E+00
  24   -0.423779E-06    0.360585E+03  0.117526E-08 0.100000E-04    0.985943E+00
  25   -0.515865E-07    0.349274E+03  0.147696E-09 0.100000E-04    0.600237E+00
  26    0.204656E-07    0.335362E+03 -0.610255E-10 0.100000E-04    0.688920E+00
  27    0.415043E-06    0.329390E+03 -0.126003E-08 0.100000E-04    0.903444E+00
  28   -0.435221E-06    0.321805E+03  0.135244E-08 0.100000E-04    0.908804E+00
  29   -0.171844E-06    0.319193E+03  0.538372E-09 0.100000E-04    0.452102E+00
  30   -0.141599E-05    0.309279E+03  0.457837E-08 0.100000E-04    0.969475E+00
  31   -0.108280E-05    0.300760E+03  0.360020E-08 0.100000E-04    0.962999E+00
  32   -0.127384E-05    0.290607E+03  0.438336E-08 0.100000E-04    0.975768E+00
  33   -0.875490E-07    0.279142E+03  0.313636E-09 0.109000E-04    0.216472E-01
  34    0.234470E-07    0.272782E+03 -0.859550E-10 0.100000E-04    0.940938E+00
  35    0.102521E-05    0.268564E+03 -0.381739E-08 0.100000E-04    0.977294E+00
  36    0.122275E-05    0.264986E+03 -0.461439E-08 0.100000E-04    0.989075E+00
  37   -0.549635E-06    0.263895E+03  0.208278E-08 0.100000E-04    0.906670E+00
  38   -0.122628E-06    0.253157E+03  0.484396E-09 0.100000E-04    0.965273E+00
  39   -0.403184E-06    0.241607E+03  0.166876E-08 0.100000E-04    0.919159E+00
  40   -0.119677E-05    0.240810E+03  0.496976E-08 0.100000E-04    0.990658E+00
  41   -0.943143E-06    0.234090E+03  0.402898E-08 0.100000E-04    0.989423E+00
  42   -0.172547E-05    0.227551E+03  0.758277E-08 0.100000E-04    0.972403E+00
  43    0.109448E-07    0.217207E+03 -0.503885E-10 0.100000E-04    0.993121E+00
  44   -0.194467E-05    0.214906E+03  0.904894E-08 0.100000E-04    0.974830E+00
  45    0.710916E-06    0.213232E+03 -0.333400E-08 0.100000E-04    0.981214E+00
  46    0.105736E-05    0.207725E+03 -0.509018E-08 0.100000E-04    0.986785E+00
  47   -0.740070E-06    0.202958E+03  0.364642E-08 0.100000E-04    0.971046E+00
  48   -0.129477E-05    0.195353E+03  0.662783E-08 0.100000E-04    0.938419E+00
  49    0.100758E-05    0.194878E+03 -0.517033E-08 0.100000E-04    0.953440E+00
  50    0.132925E-05    0.191408E+03 -0.694457E-08 0.100000E-04    0.886286E+00
  51    0.248950E-06    0.183033E+03 -0.136014E-08 0.100000E-04    0.874714E+00
  52   -0.652720E-06    0.174431E+03  0.374200E-08 0.100000E-04    0.939598E+00
  53   -0.140072E-06    0.172361E+03  0.812665E-09 0.100000E-04    0.883474E+00
  54   -0.199311E-06    0.168243E+03  0.118466E-08 0.100000E-04    0.939746E+00
  55    0.782058E-06    0.163190E+03 -0.479232E-08 0.100000E-04    0.985997E+00
  56    0.136402E-05    0.156852E+03 -0.869620E-08 0.100000E-04    0.978315E+00
  57   -0.399965E-06    0.154963E+03  0.258104E-08 0.100000E-04    0.833291E+00
  58   -0.907560E-06    0.152237E+03  0.596148E-08 0.100000E-04    0.994716E+00
  59   -0.599039E-06    0.146607E+03  0.408602E-08 0.100000E-04    0.994114E+00
  60    0.229224E-06    0.143308E+03 -0.159952E-08 0.100000E-04    0.705033E+00
  61   -0.102095E-05    0.138145E+03  0.739046E-08 0.100000E-04    0.818584E+00
  62    0.957383E-06    0.135873E+03 -0.704618E-08 0.100000E-04    0.976457E+00
  63   -0.225580E-05    0.130267E+03  0.173168E-07 0.100000E-04    0.927183E+00
  64    0.278018E-06    0.128860E+03 -0.215751E-08 0.100000E-04    0.467745E+00
  65   -0.136046E-05    0.126918E+03  0.107192E-07 0.100000E-04    0.890301E+00
  66    0.759344E-06    0.123963E+03 -0.612559E-08 0.100000E-04    0.894354E+00
  67    0.189418E-05    0.120030E+03 -0.157809E-07 0.100000E-04    0.967932E+00
  68    0.465560E-06    0.118180E+03 -0.393940E-08 0.100000E-04    0.939737E+00
  69    0.581124E-07    0.116795E+03 -0.497557E-09 0.107036E-04    0.758657E+01
  70    0.135681E-05    0.110387E+03 -0.122914E-07 0.100000E-04    0.952589E+00
  71   -0.768182E-06    0.106811E+03  0.719200E-08 0.100000E-04    0.919217E+00
  72    0.845381E-06    0.104475E+03 -0.809168E-08 0.100000E-04    0.866971E+00
  73   -0.153301E-06    0.102863E+03  0.149034E-08 0.100000E-04    0.719567E+00
  74    0.258541E-07    0.995055E+02 -0.259826E-09 0.100000E-04    0.404512E+00
  75    0.147832E-07    0.960704E+02 -0.153879E-09 0.109000E-04    0.106673E+00
  76    0.153333E-06    0.940806E+02 -0.162981E-08 0.100000E-04    0.858491E+00
  77    0.148053E-05    0.919284E+02 -0.161052E-07 0.100000E-04    0.961813E+00
  78   -0.774987E-06    0.912525E+02  0.849277E-08 0.100000E-04    0.975742E+00
  79    0.781439E-06    0.883682E+02 -0.884299E-08 0.100000E-04    0.987355E+00
  80   -0.625923E-06    0.856388E+02  0.730888E-08 0.100000E-04    0.921649E+00
  81   -0.127638E-05    0.808432E+02  0.157884E-07 0.100000E-04    0.997263E+00
  82    0.126782E-05    0.805687E+02 -0.157359E-07 0.100000E-04    0.936865E+00
  83    0.134132E-06    0.779344E+02 -0.172109E-08 0.100000E-04    0.701287E+00
  84    0.497393E-06    0.732641E+02 -0.678904E-08 0.100000E-04    0.429609E+00
  85    0.224552E-05    0.724990E+02 -0.309731E-07 0.100000E-04    0.893020E+00
  86   -0.573255E-06    0.678872E+02  0.844422E-08 0.100000E-04    0.841044E+00
  87    0.103033E-05    0.647094E+02 -0.159225E-07 0.100000E-04    0.788649E+00
  88    0.880101E-06    0.613054E+02 -0.143560E-07 0.100000E-04    0.943404E+00
  89    0.197734E-05    0.598104E+02 -0.330602E-07 0.100000E-04    0.952253E+00
  90    0.235556E-05    0.594097E+02 -0.396495E-07 0.100000E-04    0.980614E+00
  91    0.286863E-05    0.581325E+02 -0.493464E-07 0.100000E-04    0.932551E+00
  92   -0.384446E-05    0.558516E+02  0.688334E-07 0.100000E-04    0.955820E+00
  93    0.334099E-05    0.524355E+02 -0.637163E-07 0.100000E-04    0.987949E+00
  94    0.506065E-06    0.519924E+02 -0.973343E-08 0.100000E-04    0.829587E+00
  95    0.219610E-05    0.502999E+02 -0.436602E-07 0.100000E-04    0.889388E+00
  96   -0.122570E-05    0.461159E+02  0.265788E-07 0.100000E-04    0.938110E+00
  97    0.322169E-05    0.433975E+02 -0.742368E-07 0.100000E-04    0.889592E+00
  98    0.760416E-06    0.409276E+02 -0.185795E-07 0.100000E-04    0.564161E+00
  99    0.230403E-05    0.378635E+02 -0.608508E-07 0.100000E-04    0.804608E+00
 100    0.169760E-05    0.361731E+02 -0.469299E-07 0.100000E-04    0.897105E+00
 101   -0.113882E-04    0.322309E+02  0.353333E-06 0.100000E-04    0.949018E+00
 102    0.463611E-06    0.289352E+02 -0.160224E-07 0.109000E-04    0.678674E-01
 103    0.252309E-05    0.284587E+02 -0.886581E-07 0.100000E-04    0.964157E+00
 104    0.336191E-06    0.263277E+02 -0.127695E-07 0.100000E-04    0.519557E+00
 105    0.675424E-05    0.233229E+02 -0.289597E-06 0.100000E-04    0.936979E+00
 106    0.489127E-05    0.213514E+02 -0.229084E-06 0.100000E-04    0.972156E+00
 107   -0.229025E-04    0.198444E+02  0.115410E-05 0.100000E-04    0.929860E+00
 108   -0.251021E-04    0.164456E+02  0.152637E-05 0.100000E-04    0.938778E+00
 109    0.514156E-05    0.139147E+02 -0.369507E-06 0.100000E-04    0.960984E+00
 110    0.106663E-04    0.122455E+02 -0.871038E-06 0.100000E-04    0.856078E+00
 111   -0.377147E-05    0.100837E+02  0.374014E-06 0.100000E-04    0.764642E+00
 112    0.289280E-01    0.921513E+01 -0.100000E-04 0.100000E-04    0.585270E+00
 113   -0.105290E+00    0.576443E+01  0.196933E-04 0.196933E-04    0.216858E+00
 114   -0.914019E+00    0.313836E+01 -0.100000E-04 0.100000E-04    0.878434E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1969331094E-04    0.2700083788    

 Beginning of optimization cycle  707.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987730086
 potential> RMS force:                                               0.0862158285   |gradient|=.9205331477    
 Eigenvalues of the Hessian matrix:
   747.06010    673.92316    630.98186    600.49660    586.31602    578.90354 
   564.50202    487.41678    460.47873    459.71824    441.60847    429.51246 
   421.84127    407.78149    396.27958    387.32502    370.07697    360.58476 
   349.27326    335.36252    329.39092    321.80479    319.19347    309.27754 
   300.75939    290.60755    279.14319    272.78212    268.56380    264.98593 
   263.89513    253.15669    241.60761    240.81040    234.09088    227.55173 
   217.20803    214.90590    213.23194    207.72561    202.95758    195.35220 
   194.87852    191.40848    183.03346    174.43138    172.36145    168.24361 
   163.18957    156.85200    154.96329    152.23710    146.60632    143.30725 
   138.14506    135.87274    130.26632    128.86064    126.91866    123.96151 
   120.02993    118.18054    116.79486    110.38739    106.81053    104.47551 
   102.86312     99.50546     96.07020     94.08039     91.92799     91.25268 
    88.36772     85.63903     80.84332     80.56934     77.93423     73.26390 
    72.49848     67.88694     64.70898     61.30503     59.81008     59.40975 
    58.13246     55.85143     52.43537     51.99208     50.30044     46.11551 
    43.39807     40.92775     37.86352     36.17281     32.23057     28.93549 
    28.45875     26.32802     23.32279     21.35168     19.84433     16.44548 
    13.91471     12.24547     10.08369      9.21657      5.76458      3.13804 
overlap for current and previous eigenvector    109 is        -0.9999999895
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999500
overlap for current and previous eigenvector    112 is         0.9999999227
overlap for current and previous eigenvector    113 is        -0.9999999444
overlap for current and previous eigenvector    114 is        -0.9999999706
J1,K1,R1,R2,RAT=   7   7   -0.1276569729E-01     2.012755911        0.9872343027    
FOB,PFOB,DIAG,PSTEP=   -0.1716010983E-06   -0.1694380923E-06     747.0601050        0.2268076160E-09
J1,K1,R1,R2,RAT=   8   8    0.4697864371E-01     1.953025025        0.9530213563    
FOB,PFOB,DIAG,PSTEP=   -0.4007110926E-06   -0.4204638792E-06     673.9231644        0.6239036288E-09
J1,K1,R1,R2,RAT=   9   9    0.5206461139E-01     1.947926554        0.9479265541    
FOB,PFOB,DIAG,PSTEP=   -0.7014470735E-06   -0.7399736860E-06     630.9818582        0.1172738875E-08
J1,K1,R1,R2,RAT=  10  10    0.4714852822         1.528522051        0.5285147178    
FOB,PFOB,DIAG,PSTEP=   -0.3134280596E-07   -0.5930336919E-07     600.4966027        0.9875684805E-10
J1,K1,R1,R2,RAT=  11  11    -3.406464519         5.406466022         2.406464519    
FOB,PFOB,DIAG,PSTEP=   -0.3452018360E-08   -0.7833991063E-09     586.3160198        0.1336136983E-11
J1,K1,R1,R2,RAT= 109 109     1.957036682        0.4295494131E-01    0.9570366822    
FOB,PFOB,DIAG,PSTEP=   -0.4920703930E-05    0.5141560275E-05     13.91471317       -0.3695068483E-06
J1,K1,R1,R2,RAT= 110 110    0.1498421491         1.850154099        0.8501540991    
FOB,PFOB,DIAG,PSTEP=    0.9067995884E-05    0.1066625318E-04     12.24547380       -0.8710380151E-06
J1,K1,R1,R2,RAT= 111 111    0.1895645346         1.810447013        0.8104354654    
FOB,PFOB,DIAG,PSTEP=   -0.3056533793E-05   -0.3771465830E-05     10.08368533        0.3740144531E-06
J1,K1,R1,R2,RAT= 112 112    0.4493648662         627.2898784        0.5506351338    
FOB,PFOB,DIAG,PSTEP=    0.2888660529E-01    0.2892802133E-01     9.216572531       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1855.779549       -0.8450002743        0.1549997257    
FOB,PFOB,DIAG,PSTEP=    0.1053855012       -0.1052895736         5.764584827        0.1969331094E-04
J1,K1,R1,R2,RAT= 114 114    -58254.27203        0.1799250779        0.8200749221    
FOB,PFOB,DIAG,PSTEP=    0.9140244716       -0.9140188255         3.138041612       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00000      0.00001     -0.00000      0.02889      0.10539      0.91402 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3802563055
 Log product of positive Hessian eigenvalues =          519.0787005130
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1380416120
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000061
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000048
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=       -0.0000000022
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=       -0.0000000060
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=       -0.0000000159
 Unscaled step for mode   64=        0.0000000013
 Unscaled step for mode   65=        0.0000000095
 Unscaled step for mode   66=       -0.0000000054
 Unscaled step for mode   67=        0.0000000152
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=       -0.0000000116
 Unscaled step for mode   71=       -0.0000000066
 Unscaled step for mode   72=        0.0000000096
 Unscaled step for mode   73=       -0.0000000011
 Unscaled step for mode   74=       -0.0000000007
 Unscaled step for mode   75=       -0.0000000017
 Unscaled step for mode   76=       -0.0000000014
 Unscaled step for mode   77=        0.0000000168
 Unscaled step for mode   78=        0.0000000082
 Unscaled step for mode   79=       -0.0000000087
 Unscaled step for mode   80=       -0.0000000067
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=       -0.0000000146
 Unscaled step for mode   83=       -0.0000000026
 Unscaled step for mode   84=        0.0000000038
 Unscaled step for mode   85=       -0.0000000275
 Unscaled step for mode   86=       -0.0000000070
 Unscaled step for mode   87=       -0.0000000126
 Unscaled step for mode   88=        0.0000000153
 Unscaled step for mode   89=        0.0000000313
 Unscaled step for mode   90=       -0.0000000386
 Unscaled step for mode   91=        0.0000000452
 Unscaled step for mode   92=        0.0000000652
 Unscaled step for mode   93=       -0.0000000626
 Unscaled step for mode   94=       -0.0000000119
 Unscaled step for mode   95=       -0.0000000387
 Unscaled step for mode   96=        0.0000000245
 Unscaled step for mode   97=        0.0000000653
 Unscaled step for mode   98=       -0.0000000121
 Unscaled step for mode   99=        0.0000000492
 Unscaled step for mode  100=        0.0000000417
 Unscaled step for mode  101=       -0.0000003315
 Unscaled step for mode  102=       -0.0000000059
 Unscaled step for mode  103=       -0.0000000851
 Unscaled step for mode  104=       -0.0000000277
 Unscaled step for mode  105=       -0.0000002684
 Unscaled step for mode  106=        0.0000002210
 Unscaled step for mode  107=       -0.0000010611
 Unscaled step for mode  108=        0.0000014177
 Unscaled step for mode  109=        0.0000003536
 Unscaled step for mode  110=       -0.0000007405
 Unscaled step for mode  111=        0.0000003031
 Unscaled step for mode  112=       -0.0031341718
 Unscaled step for mode  113=       -0.0182754364
 Unscaled step for mode  114=        0.2700332776
 Largest modulus ratio of non-zero e/values=           238.0657102    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.619622E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.271777E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.525739E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.411509E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.133628E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.451385E-14    0.974329E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171601E-06    0.747060E+03  0.229702E-09 0.100000E-04    0.987234E+00
   8   -0.400711E-06    0.673923E+03  0.594595E-09 0.100000E-04    0.953021E+00
   9   -0.701447E-06    0.630982E+03  0.111168E-08 0.100000E-04    0.947927E+00
  10   -0.313428E-07    0.600497E+03  0.521948E-10 0.100000E-04    0.528515E+00
  11   -0.345202E-08    0.586316E+03  0.588764E-11 0.100000E-04    0.240646E+01
  12   -0.100119E-05    0.578904E+03  0.172947E-08 0.100000E-04    0.944897E+00
  13    0.472912E-07    0.564502E+03 -0.837750E-10 0.100000E-04    0.896863E+00
  14    0.411391E-06    0.487417E+03 -0.844024E-09 0.100000E-04    0.932811E+00
  15   -0.430223E-06    0.460479E+03  0.934295E-09 0.100000E-04    0.940275E+00
  16   -0.125387E-06    0.459718E+03  0.272747E-09 0.100000E-04    0.820982E+00
  17   -0.593785E-06    0.441608E+03  0.134460E-08 0.100000E-04    0.911100E+00
  18   -0.392844E-06    0.429512E+03  0.914627E-09 0.100000E-04    0.932903E+00
  19   -0.156378E-06    0.421841E+03  0.370704E-09 0.100000E-04    0.656332E+00
  20   -0.353988E-06    0.407781E+03  0.868083E-09 0.100000E-04    0.924620E+00
  21   -0.412598E-06    0.396280E+03  0.104118E-08 0.100000E-04    0.920561E+00
  22   -0.619111E-06    0.387325E+03  0.159843E-08 0.100000E-04    0.993800E+00
  23    0.773313E-06    0.370077E+03 -0.208960E-08 0.100000E-04    0.924776E+00
  24   -0.416017E-06    0.360585E+03  0.115373E-08 0.100000E-04    0.981684E+00
  25   -0.914039E-07    0.349273E+03  0.261697E-09 0.100000E-04    0.228140E+00
  26   -0.402350E-07    0.335363E+03  0.119975E-09 0.109000E-04    0.340231E-01
  27    0.370399E-06    0.329391E+03 -0.112450E-08 0.100000E-04    0.892431E+00
  28   -0.390391E-06    0.321805E+03  0.121313E-08 0.100000E-04    0.896993E+00
  29   -0.955718E-07    0.319193E+03  0.299417E-09 0.100000E-04    0.556150E+00
  30   -0.136009E-05    0.309278E+03  0.439764E-08 0.100000E-04    0.960523E+00
  31   -0.103572E-05    0.300759E+03  0.344369E-08 0.100000E-04    0.956525E+00
  32   -0.123513E-05    0.290608E+03  0.425015E-08 0.100000E-04    0.969610E+00
  33   -0.345421E-07    0.279143E+03  0.123743E-09 0.100000E-04    0.394539E+00
  34   -0.321162E-07    0.272782E+03  0.117736E-09 0.100000E-04    0.630261E+00
  35    0.994464E-06    0.268564E+03 -0.370290E-08 0.100000E-04    0.970007E+00
  36    0.120540E-05    0.264986E+03 -0.454891E-08 0.100000E-04    0.985809E+00
  37   -0.494351E-06    0.263895E+03  0.187329E-08 0.100000E-04    0.899412E+00
  38   -0.127283E-06    0.253157E+03  0.502785E-09 0.100000E-04    0.962039E+00
  39   -0.447714E-06    0.241608E+03  0.185306E-08 0.100000E-04    0.889556E+00
  40   -0.118138E-05    0.240810E+03  0.490583E-08 0.100000E-04    0.987136E+00
  41   -0.955396E-06    0.234091E+03  0.408131E-08 0.100000E-04    0.987008E+00
  42   -0.166382E-05    0.227552E+03  0.731183E-08 0.100000E-04    0.964268E+00
  43    0.127124E-07    0.217208E+03 -0.585262E-10 0.100000E-04    0.838498E+00
  44   -0.188523E-05    0.214906E+03  0.877237E-08 0.100000E-04    0.969435E+00
  45    0.724360E-06    0.213232E+03 -0.339705E-08 0.100000E-04    0.981090E+00
  46    0.104219E-05    0.207726E+03 -0.501716E-08 0.100000E-04    0.985652E+00
  47   -0.715717E-06    0.202958E+03  0.352644E-08 0.100000E-04    0.967093E+00
  48   -0.120033E-05    0.195352E+03  0.614443E-08 0.100000E-04    0.927062E+00
  49    0.955470E-06    0.194879E+03 -0.490290E-08 0.100000E-04    0.948275E+00
  50    0.116553E-05    0.191408E+03 -0.608924E-08 0.100000E-04    0.876832E+00
  51    0.215279E-06    0.183033E+03 -0.117617E-08 0.100000E-04    0.864739E+00
  52   -0.606323E-06    0.174431E+03  0.347600E-08 0.100000E-04    0.928909E+00
  53   -0.163005E-06    0.172361E+03  0.945718E-09 0.100000E-04    0.836274E+00
  54   -0.213853E-06    0.168244E+03  0.127109E-08 0.100000E-04    0.927038E+00
  55   -0.790648E-06    0.163190E+03  0.484497E-08 0.100000E-04    0.989016E+00
  56    0.132854E-05    0.156852E+03 -0.847005E-08 0.100000E-04    0.973993E+00
  57    0.333983E-06    0.154963E+03 -0.215524E-08 0.100000E-04    0.835025E+00
  58   -0.910152E-06    0.152237E+03  0.597852E-08 0.100000E-04    0.997144E+00
  59    0.600751E-06    0.146606E+03 -0.409771E-08 0.100000E-04    0.997143E+00
  60   -0.168716E-06    0.143307E+03  0.117730E-08 0.100000E-04    0.736030E+00
  61    0.835019E-06    0.138145E+03 -0.604451E-08 0.100000E-04    0.817876E+00
  62   -0.927884E-06    0.135873E+03  0.682906E-08 0.100000E-04    0.969187E+00
  63    0.206981E-05    0.130266E+03 -0.158891E-07 0.100000E-04    0.917552E+00
  64   -0.161321E-06    0.128861E+03  0.125190E-08 0.100000E-04    0.580252E+00
  65   -0.120204E-05    0.126919E+03  0.947098E-08 0.100000E-04    0.883555E+00
  66    0.675490E-06    0.123962E+03 -0.544919E-08 0.100000E-04    0.889569E+00
  67   -0.182135E-05    0.120030E+03  0.151741E-07 0.100000E-04    0.961549E+00
  68    0.433894E-06    0.118181E+03 -0.367145E-08 0.100000E-04    0.931982E+00
  69    0.251693E-09    0.116795E+03 -0.215500E-11 0.116669E-04    0.432772E-02
  70    0.128213E-05    0.110387E+03 -0.116148E-07 0.100000E-04    0.944953E+00
  71    0.699815E-06    0.106811E+03 -0.655192E-08 0.100000E-04    0.911001E+00
  72   -0.999498E-06    0.104476E+03  0.956682E-08 0.100000E-04    0.817696E+00
  73    0.112698E-06    0.102863E+03 -0.109561E-08 0.100000E-04    0.735137E+00
  74    0.689742E-07    0.995055E+02 -0.693170E-09 0.100000E-04    0.667827E+00
  75    0.158937E-06    0.960702E+02 -0.165438E-08 0.100000E-04    0.875118E+01
  76    0.129135E-06    0.940804E+02 -0.137261E-08 0.100000E-04    0.842186E+00
  77   -0.154817E-05    0.919280E+02  0.168411E-07 0.100000E-04    0.954312E+00
  78   -0.748545E-06    0.912527E+02  0.820300E-08 0.100000E-04    0.965877E+00
  79    0.766461E-06    0.883677E+02 -0.867354E-08 0.100000E-04    0.980832E+00
  80    0.573265E-06    0.856390E+02 -0.669397E-08 0.100000E-04    0.915865E+00
  81    0.126910E-05    0.808433E+02 -0.156982E-07 0.100000E-04    0.994289E+00
  82    0.117685E-05    0.805693E+02 -0.146067E-07 0.100000E-04    0.928231E+00
  83    0.200775E-06    0.779342E+02 -0.257621E-08 0.100000E-04    0.503157E+00
  84   -0.281931E-06    0.732639E+02  0.384815E-08 0.100000E-04    0.566816E+00
  85    0.199280E-05    0.724985E+02 -0.274875E-07 0.100000E-04    0.887457E+00
  86    0.477179E-06    0.678869E+02 -0.702903E-08 0.100000E-04    0.832403E+00
  87    0.812286E-06    0.647090E+02 -0.125529E-07 0.100000E-04    0.788371E+00
  88   -0.935554E-06    0.613050E+02  0.152606E-07 0.100000E-04    0.936993E+00
  89   -0.187086E-05    0.598101E+02  0.312800E-07 0.100000E-04    0.946149E+00
  90    0.229570E-05    0.594098E+02 -0.386418E-07 0.100000E-04    0.974584E+00
  91   -0.262984E-05    0.581325E+02  0.452388E-07 0.100000E-04    0.916759E+00
  92   -0.363893E-05    0.558514E+02  0.651538E-07 0.100000E-04    0.946539E+00
  93    0.328091E-05    0.524354E+02 -0.625706E-07 0.100000E-04    0.982017E+00
  94    0.621099E-06    0.519921E+02 -0.119460E-07 0.100000E-04    0.772687E+00
  95    0.194538E-05    0.503004E+02 -0.386753E-07 0.100000E-04    0.885814E+00
  96   -0.112780E-05    0.461155E+02  0.244559E-07 0.100000E-04    0.920119E+00
  97   -0.283514E-05    0.433981E+02  0.653287E-07 0.100000E-04    0.879992E+00
  98    0.495286E-06    0.409277E+02 -0.121015E-07 0.100000E-04    0.651331E+00
  99   -0.186176E-05    0.378635E+02  0.491703E-07 0.100000E-04    0.808045E+00
 100   -0.150803E-05    0.361728E+02  0.416895E-07 0.100000E-04    0.888327E+00
 101    0.106841E-04    0.322306E+02 -0.331489E-06 0.100000E-04    0.938167E+00
 102    0.170889E-06    0.289355E+02 -0.590588E-08 0.100000E-04    0.368589E+00
 103    0.242117E-05    0.284588E+02 -0.850764E-07 0.100000E-04    0.959599E+00
 104    0.729614E-06    0.263280E+02 -0.277125E-07 0.109000E-04    0.170223E+00
 105    0.626098E-05    0.233228E+02 -0.268449E-06 0.100000E-04    0.926970E+00
 106   -0.471929E-05    0.213517E+02  0.221027E-06 0.100000E-04    0.964817E+00
 107    0.210567E-04    0.198443E+02 -0.106109E-05 0.100000E-04    0.919404E+00
 108   -0.233153E-04    0.164455E+02  0.141774E-05 0.100000E-04    0.928820E+00
 109   -0.492070E-05    0.139147E+02  0.353633E-06 0.100000E-04    0.957037E+00
 110    0.906800E-05    0.122455E+02 -0.740518E-06 0.100000E-04    0.850154E+00
 111   -0.305653E-05    0.100837E+02  0.303117E-06 0.100000E-04    0.810435E+00
 112    0.288866E-01    0.921657E+01 -0.100000E-04 0.100000E-04    0.550635E+00
 113    0.105386E+00    0.576458E+01 -0.214657E-04 0.214657E-04    0.155000E+00
 114    0.914024E+00    0.313804E+01  0.100000E-04 0.100000E-04    0.820075E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2146570892E-04    0.2700332776    

 Beginning of optimization cycle  708.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987664174
 potential> RMS force:                                               0.0862171493   |gradient|=.9205472494    
 Eigenvalues of the Hessian matrix:
   747.06384    673.92172    630.98473    600.49443    586.31552    578.90358 
   564.49788    487.41634    460.47747    459.71772    441.60793    429.51380 
   421.84063    407.77988    396.27900    387.32363    370.07743    360.58494 
   349.27262    335.36318    329.39178    321.80450    319.19422    309.27640 
   300.75887    290.60762    279.14471    272.78259    268.56412    264.98625 
   263.89572    253.15614    241.60806    240.81069    234.09169    227.55208 
   217.20884    214.90603    213.23166    207.72611    202.95718    195.35142 
   194.87891    191.40893    183.03423    174.43213    172.36170    168.24390 
   163.18925    156.85179    154.96381    152.23691    146.60575    143.30683 
   138.14558    135.87273    130.26607    128.86084    126.91886    123.96037 
   120.03012    118.18066    116.79441    110.38763    106.81037    104.47570 
   102.86320     99.50539     96.06999     94.08014     91.92760     91.25290 
    88.36721     85.63933     80.84342     80.57001     77.93399     73.26367 
    72.49788     67.88661     64.70855     61.30463     59.80978     59.40982 
    58.13242     55.85118     52.43526     51.99170     50.30103     46.11508 
    43.39864     40.92786     37.86346     36.17242     32.23020     28.93582 
    28.45881     26.32832     23.32269     21.35192     19.84425     16.44538 
    13.91477     12.24550     10.08363      9.21809      5.76475      3.13771 
overlap for current and previous eigenvector    109 is         0.9999999881
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999416
overlap for current and previous eigenvector    112 is         0.9999999115
overlap for current and previous eigenvector    113 is         0.9999999386
overlap for current and previous eigenvector    114 is         0.9999999672
J1,K1,R1,R2,RAT=   7   7    0.5056933905E-02     1.994933078        0.9949330783    
FOB,PFOB,DIAG,PSTEP=   -0.1707333186E-06   -0.1716010983E-06     747.0638357        0.2297018636E-09
J1,K1,R1,R2,RAT=   8   8   -0.4032364572E-01     2.040327921        0.9596763543    
FOB,PFOB,DIAG,PSTEP=   -0.4168691902E-06   -0.4007110926E-06     673.9217239        0.5945946271E-09
J1,K1,R1,R2,RAT=   9   9   -0.4436050680E-01     2.044351416        0.9556394932    
FOB,PFOB,DIAG,PSTEP=   -0.7325637626E-06   -0.7014470735E-06     630.9847262        0.1111675501E-08
J1,K1,R1,R2,RAT=  10  10   -0.7556803418         2.755687574        0.2443196582    
FOB,PFOB,DIAG,PSTEP=   -0.5502786263E-07   -0.3134280596E-07     600.4944311        0.5219480980E-10
J1,K1,R1,R2,RAT=  11  11    0.3392246142         1.660777098        0.6607753858    
FOB,PFOB,DIAG,PSTEP=   -0.2281009766E-08   -0.3452018360E-08     586.3155178        0.5887641210E-11
J1,K1,R1,R2,RAT= 109 109   -0.3906791414E-01     2.039059363        0.9609320859    
FOB,PFOB,DIAG,PSTEP=   -0.5112946391E-05   -0.4920703930E-05     13.91477266        0.3536331557E-06
J1,K1,R1,R2,RAT= 110 110   -0.1453908851         2.145387036        0.8546091149    
FOB,PFOB,DIAG,PSTEP=    0.1038640237E-04    0.9067995884E-05     12.24549737       -0.7405181730E-06
J1,K1,R1,R2,RAT= 111 111   -0.2346569204         2.234667696        0.7653430796    
FOB,PFOB,DIAG,PSTEP=   -0.3773766736E-05   -0.3056533793E-05     10.08363100        0.3031167369E-06
J1,K1,R1,R2,RAT= 112 112    0.4214732774         626.3155367        0.5785267226    
FOB,PFOB,DIAG,PSTEP=    0.2884775349E-01    0.2888660529E-01     9.218094617       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7883390653         1704.064408        0.2116609347    
FOB,PFOB,DIAG,PSTEP=    0.1054830538        0.1053855012         5.764751361       -0.2146570892E-04
J1,K1,R1,R2,RAT= 114 114    0.1331000582        -58260.64954        0.8668999418    
FOB,PFOB,DIAG,PSTEP=    0.9140286479        0.9140244716         3.137714965        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000      0.00000     -0.00000 
     0.00000     -0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000     -0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002     -0.00002 
    -0.00001      0.00001     -0.00000      0.02885      0.10548      0.91403 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3802357308
 Log product of positive Hessian eigenvalues =          519.0787623612
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1377149653
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=       -0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000005
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000050
 Unscaled step for mode   41=        0.0000000040
 Unscaled step for mode   42=        0.0000000075
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000065
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000068
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000037
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000048
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=       -0.0000000025
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=       -0.0000000072
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=       -0.0000000170
 Unscaled step for mode   64=        0.0000000020
 Unscaled step for mode   65=        0.0000000105
 Unscaled step for mode   66=       -0.0000000060
 Unscaled step for mode   67=        0.0000000157
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=       -0.0000000004
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=       -0.0000000071
 Unscaled step for mode   72=        0.0000000084
 Unscaled step for mode   73=       -0.0000000014
 Unscaled step for mode   74=       -0.0000000003
 Unscaled step for mode   75=       -0.0000000004
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=        0.0000000162
 Unscaled step for mode   78=       -0.0000000084
 Unscaled step for mode   79=       -0.0000000088
 Unscaled step for mode   80=       -0.0000000072
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=       -0.0000000155
 Unscaled step for mode   83=       -0.0000000019
 Unscaled step for mode   84=        0.0000000063
 Unscaled step for mode   85=       -0.0000000304
 Unscaled step for mode   86=       -0.0000000082
 Unscaled step for mode   87=       -0.0000000153
 Unscaled step for mode   88=        0.0000000144
 Unscaled step for mode   89=        0.0000000328
 Unscaled step for mode   90=       -0.0000000394
 Unscaled step for mode   91=        0.0000000483
 Unscaled step for mode   92=        0.0000000680
 Unscaled step for mode   93=       -0.0000000633
 Unscaled step for mode   94=       -0.0000000100
 Unscaled step for mode   95=       -0.0000000430
 Unscaled step for mode   96=        0.0000000259
 Unscaled step for mode   97=        0.0000000726
 Unscaled step for mode   98=       -0.0000000177
 Unscaled step for mode   99=        0.0000000589
 Unscaled step for mode  100=        0.0000000460
 Unscaled step for mode  101=       -0.0000003481
 Unscaled step for mode  102=       -0.0000000140
 Unscaled step for mode  103=       -0.0000000881
 Unscaled step for mode  104=       -0.0000000163
 Unscaled step for mode  105=       -0.0000002852
 Unscaled step for mode  106=        0.0000002271
 Unscaled step for mode  107=       -0.0000011347
 Unscaled step for mode  108=        0.0000015036
 Unscaled step for mode  109=        0.0000003674
 Unscaled step for mode  110=       -0.0000008482
 Unscaled step for mode  111=        0.0000003742
 Unscaled step for mode  112=       -0.0031294397
 Unscaled step for mode  113=       -0.0182918141
 Unscaled step for mode  114=        0.2700586336
 Largest modulus ratio of non-zero e/values=           238.0916826    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.491577E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.300411E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.521269E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.759267E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.495372E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.416242E-14    0.974329E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170733E-06    0.747064E+03  0.228539E-09 0.100000E-04    0.994933E+00
   8   -0.416869E-06    0.673922E+03  0.618572E-09 0.100000E-04    0.959676E+00
   9   -0.732564E-06    0.630985E+03  0.116098E-08 0.100000E-04    0.955639E+00
  10   -0.550279E-07    0.600494E+03  0.916376E-10 0.100000E-04    0.244320E+00
  11   -0.228101E-08    0.586316E+03  0.389041E-11 0.100000E-04    0.660775E+00
  12   -0.104928E-05    0.578904E+03  0.181253E-08 0.100000E-04    0.951969E+00
  13    0.433588E-07    0.564498E+03 -0.768095E-10 0.100000E-04    0.916848E+00
  14    0.436666E-06    0.487416E+03 -0.895879E-09 0.100000E-04    0.938563E+00
  15   -0.452376E-06    0.460477E+03  0.982406E-09 0.100000E-04    0.948508E+00
  16   -0.147840E-06    0.459718E+03  0.321589E-09 0.100000E-04    0.820928E+00
  17   -0.642139E-06    0.441608E+03  0.145409E-08 0.100000E-04    0.918567E+00
  18   -0.415477E-06    0.429514E+03  0.967319E-09 0.100000E-04    0.942387E+00
  19   -0.122776E-06    0.421841E+03  0.291049E-09 0.100000E-04    0.785122E+00
  20   -0.377459E-06    0.407780E+03  0.925644E-09 0.100000E-04    0.933696E+00
  21   -0.441895E-06    0.396279E+03  0.111511E-08 0.100000E-04    0.928996E+00
  22   -0.620735E-06    0.387324E+03  0.160263E-08 0.100000E-04    0.997377E+00
  23    0.825328E-06    0.370077E+03 -0.223015E-08 0.100000E-04    0.932738E+00
  24   -0.421846E-06    0.360585E+03  0.116989E-08 0.100000E-04    0.985989E+00
  25   -0.575196E-07    0.349273E+03  0.164684E-09 0.100000E-04    0.629290E+00
  26    0.867153E-08    0.335363E+03 -0.258571E-10 0.100000E-04    0.215520E+00
  27    0.406044E-06    0.329392E+03 -0.123271E-08 0.100000E-04    0.903767E+00
  28   -0.426009E-06    0.321804E+03  0.132381E-08 0.100000E-04    0.908764E+00
  29   -0.154918E-06    0.319194E+03  0.485340E-09 0.100000E-04    0.379046E+00
  30   -0.140051E-05    0.309276E+03  0.452835E-08 0.100000E-04    0.970282E+00
  31   -0.107346E-05    0.300759E+03  0.356919E-08 0.100000E-04    0.963559E+00
  32   -0.126443E-05    0.290608E+03  0.435100E-08 0.100000E-04    0.976271E+00
  33   -0.778591E-07    0.279145E+03  0.278920E-09 0.100000E-04    0.254025E+00
  34    0.124276E-07    0.272783E+03 -0.455586E-10 0.100000E-04    0.386954E+00
  35    0.101669E-05    0.268564E+03 -0.378566E-08 0.100000E-04    0.977648E+00
  36    0.121814E-05    0.264986E+03 -0.459701E-08 0.100000E-04    0.989425E+00
  37   -0.540430E-06    0.263896E+03  0.204789E-08 0.100000E-04    0.906790E+00
  38   -0.123024E-06    0.253156E+03  0.485960E-09 0.100000E-04    0.966534E+00
  39   -0.412997E-06    0.241608E+03  0.170937E-08 0.100000E-04    0.922454E+00
  40   -0.119208E-05    0.240811E+03  0.495029E-08 0.100000E-04    0.990937E+00
  41   -0.945665E-06    0.234092E+03  0.403972E-08 0.100000E-04    0.989808E+00
  42   -0.170877E-05    0.227552E+03  0.750934E-08 0.100000E-04    0.972986E+00
  43    0.126074E-07    0.217209E+03 -0.580427E-10 0.100000E-04    0.991735E+00
  44   -0.193200E-05    0.214906E+03  0.898996E-08 0.100000E-04    0.975195E+00
  45    0.710839E-06    0.213232E+03 -0.333365E-08 0.100000E-04    0.981334E+00
  46    0.105589E-05    0.207726E+03 -0.508308E-08 0.100000E-04    0.986860E+00
  47   -0.736129E-06    0.202957E+03  0.362702E-08 0.100000E-04    0.971480E+00
  48   -0.127384E-05    0.195351E+03  0.652078E-08 0.100000E-04    0.938753E+00
  49    0.999464E-06    0.194879E+03 -0.512864E-08 0.100000E-04    0.953955E+00
  50    0.129847E-05    0.191409E+03 -0.678372E-08 0.100000E-04    0.885946E+00
  51    0.242366E-06    0.183034E+03 -0.132416E-08 0.100000E-04    0.874177E+00
  52   -0.642720E-06    0.174432E+03  0.368464E-08 0.100000E-04    0.939972E+00
  53   -0.144676E-06    0.172362E+03  0.839376E-09 0.100000E-04    0.887553E+00
  54   -0.201162E-06    0.168244E+03  0.119566E-08 0.100000E-04    0.940652E+00
  55   -0.779221E-06    0.163189E+03  0.477495E-08 0.100000E-04    0.985547E+00
  56    0.135709E-05    0.156852E+03 -0.865206E-08 0.100000E-04    0.978513E+00
  57    0.390337E-06    0.154964E+03 -0.251889E-08 0.100000E-04    0.831267E+00
  58   -0.904850E-06    0.152237E+03  0.594370E-08 0.100000E-04    0.994175E+00
  59    0.597192E-06    0.146606E+03 -0.407345E-08 0.100000E-04    0.994076E+00
  60   -0.220395E-06    0.143307E+03  0.153793E-08 0.100000E-04    0.693689E+00
  61    0.988910E-06    0.138146E+03 -0.715846E-08 0.100000E-04    0.815704E+00
  62   -0.949606E-06    0.135873E+03  0.698894E-08 0.100000E-04    0.976589E+00
  63    0.221950E-05    0.130266E+03 -0.170382E-07 0.100000E-04    0.927681E+00
  64   -0.255851E-06    0.128861E+03  0.198548E-08 0.100000E-04    0.414029E+00
  65   -0.133430E-05    0.126919E+03  0.105130E-07 0.100000E-04    0.889977E+00
  66    0.746783E-06    0.123960E+03 -0.602437E-08 0.100000E-04    0.894457E+00
  67   -0.187890E-05    0.120030E+03  0.156536E-07 0.100000E-04    0.968403E+00
  68    0.459809E-06    0.118181E+03 -0.389073E-08 0.100000E-04    0.940274E+00
  69    0.517458E-07    0.116794E+03 -0.443050E-09 0.105107E-04    0.203591E+03
  70    0.134230E-05    0.110388E+03 -0.121599E-07 0.100000E-04    0.953068E+00
  71    0.756286E-06    0.106810E+03 -0.708065E-08 0.100000E-04    0.919304E+00
  72   -0.872554E-06    0.104476E+03  0.835174E-08 0.100000E-04    0.872989E+00
  73    0.145462E-06    0.102863E+03 -0.141413E-08 0.100000E-04    0.709271E+00
  74    0.311886E-07    0.995054E+02 -0.313437E-09 0.100000E-04    0.452178E+00
  75    0.371537E-07    0.960700E+02 -0.386735E-09 0.100000E-04    0.233762E+00
  76    0.147491E-06    0.940801E+02 -0.156772E-08 0.100000E-04    0.857856E+00
  77   -0.148965E-05    0.919276E+02  0.162046E-07 0.100000E-04    0.962198E+00
  78    0.766538E-06    0.912529E+02 -0.840015E-08 0.100000E-04    0.975964E+00
  79    0.775838E-06    0.883672E+02 -0.877970E-08 0.100000E-04    0.987765E+00
  80    0.618021E-06    0.856393E+02 -0.721655E-08 0.100000E-04    0.921929E+00
  81    0.127215E-05    0.808434E+02 -0.157360E-07 0.100000E-04    0.997596E+00
  82    0.125056E-05    0.805700E+02 -0.155214E-07 0.100000E-04    0.937369E+00
  83    0.144794E-06    0.779340E+02 -0.185790E-08 0.100000E-04    0.721175E+00
  84   -0.459155E-06    0.732637E+02  0.626716E-08 0.100000E-04    0.371387E+00
  85    0.220628E-05    0.724979E+02 -0.304324E-07 0.100000E-04    0.892873E+00
  86    0.554644E-06    0.678866E+02 -0.817015E-08 0.100000E-04    0.837661E+00
  87    0.987912E-06    0.647085E+02 -0.152671E-07 0.100000E-04    0.783787E+00
  88   -0.882942E-06    0.613046E+02  0.144025E-07 0.100000E-04    0.943764E+00
  89   -0.195942E-05    0.598098E+02  0.327609E-07 0.100000E-04    0.952661E+00
  90    0.233999E-05    0.594098E+02 -0.393872E-07 0.100000E-04    0.980709E+00
  91   -0.280530E-05    0.581324E+02  0.482570E-07 0.100000E-04    0.933283E+00
  92   -0.379736E-05    0.558512E+02  0.679907E-07 0.100000E-04    0.956463E+00
  93    0.331863E-05    0.524353E+02 -0.632901E-07 0.100000E-04    0.988504E+00
  94    0.518504E-06    0.519917E+02 -0.997283E-08 0.100000E-04    0.834816E+00
  95    0.216048E-05    0.503010E+02 -0.429511E-07 0.100000E-04    0.889431E+00
  96   -0.119557E-05    0.461151E+02  0.259259E-07 0.100000E-04    0.939901E+00
  97   -0.314988E-05    0.433986E+02  0.725801E-07 0.100000E-04    0.888988E+00
  98    0.723481E-06    0.409279E+02 -0.176770E-07 0.100000E-04    0.539268E+00
  99   -0.223085E-05    0.378635E+02  0.589182E-07 0.100000E-04    0.801754E+00
 100   -0.166329E-05    0.361724E+02  0.459823E-07 0.100000E-04    0.897040E+00
 101    0.112202E-04    0.322302E+02 -0.348127E-06 0.100000E-04    0.949821E+00
 102    0.405138E-06    0.289358E+02 -0.140012E-07 0.100000E-04    0.370743E+00
 103    0.250737E-05    0.284588E+02 -0.881051E-07 0.100000E-04    0.964398E+00
 104    0.429031E-06    0.263283E+02 -0.162954E-07 0.100000E-04    0.588007E+00
 105    0.665123E-05    0.233227E+02 -0.285183E-06 0.100000E-04    0.937669E+00
 106   -0.484867E-05    0.213519E+02  0.227084E-06 0.100000E-04    0.972584E+00
 107    0.225182E-04    0.198443E+02 -0.113475E-05 0.100000E-04    0.930591E+00
 108   -0.247280E-04    0.164454E+02  0.150365E-05 0.100000E-04    0.939409E+00
 109   -0.511295E-05    0.139148E+02  0.367447E-06 0.100000E-04    0.960932E+00
 110    0.103864E-04    0.122455E+02 -0.848181E-06 0.100000E-04    0.854609E+00
 111   -0.377377E-05    0.100836E+02  0.374247E-06 0.100000E-04    0.765343E+00
 112    0.288478E-01    0.921809E+01 -0.100000E-04 0.100000E-04    0.578527E+00
 113    0.105483E+00    0.576475E+01 -0.193385E-04 0.193385E-04    0.211661E+00
 114    0.914029E+00    0.313771E+01  0.100000E-04 0.100000E-04    0.866900E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1933847651E-04    0.2700586336    

 Beginning of optimization cycle  709.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987596039
 potential> RMS force:                                               0.0862186003   |gradient|=.9205627425    
 Eigenvalues of the Hessian matrix:
   747.06746    673.92051    630.98749    600.49223    586.31509    578.90362 
   564.49401    487.41602    460.47626    459.71721    441.60745    429.51498 
   421.84000    407.77836    396.27846    387.32227    370.07787    360.58508 
   349.27191    335.36379    329.39258    321.80427    319.19482    309.27529 
   300.75829    290.60768    279.14610    272.78304    268.56436    264.98654 
   263.89621    253.15556    241.60840    240.81097    234.09241    227.55236 
   217.20954    214.90616    213.23139    207.72658    202.95680    195.35065 
   194.87924    191.40936    183.03492    174.43283    172.36194    168.24416 
   163.18896    156.85158    154.96430    152.23674    146.60521    143.30646 
   138.14607    135.87272    130.26585    128.86103    126.91906    123.95931 
   120.03030    118.18078    116.79402    110.38786    106.81025    104.47591 
   102.86328     99.50532     96.06981     94.07993     91.92721     91.25309 
    88.36672     85.63960     80.84351     80.57063     77.93378     73.26349 
    72.49735     67.88632     64.70814     61.30423     59.80950     59.40991 
    58.13240     55.85097     52.43517     51.99136     50.30159     46.11469 
    43.39918     40.92797     37.86343     36.17212     32.22985     28.93615 
    28.45887     26.32860     23.32258     21.35217     19.84415     16.44528 
    13.91483     12.24552     10.08357      9.21952      5.76490      3.13740 
overlap for current and previous eigenvector    109 is         0.9999999897
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999507
overlap for current and previous eigenvector    112 is         0.9999999240
overlap for current and previous eigenvector    113 is         0.9999999458
overlap for current and previous eigenvector    114 is         0.9999999714
J1,K1,R1,R2,RAT=   7   7   -0.1260040329E-01     2.012590702        0.9873995967    
FOB,PFOB,DIAG,PSTEP=   -0.1728846377E-06   -0.1707333186E-06     747.0674595        0.2285391293E-09
J1,K1,R1,R2,RAT=   8   8    0.4651899180E-01     1.953484600        0.9534810082    
FOB,PFOB,DIAG,PSTEP=   -0.3974768906E-06   -0.4168691902E-06     673.9205136        0.6185721212E-09
J1,K1,R1,R2,RAT=   9   9    0.5156222874E-01     1.948429017        0.9484290170    
FOB,PFOB,DIAG,PSTEP=   -0.6947909769E-06   -0.7325637626E-06     630.9874881        0.1160984937E-08
J1,K1,R1,R2,RAT=  10  10    0.4996273553         1.500379964        0.5003726447    
FOB,PFOB,DIAG,PSTEP=   -0.2753453777E-07   -0.5502786263E-07     600.4922335        0.9163759026E-10
J1,K1,R1,R2,RAT=  11  11    -1.136291261         3.136292720        0.1362912611    
FOB,PFOB,DIAG,PSTEP=   -0.4872899340E-08   -0.2281009766E-08     586.3150901        0.3890413433E-11
J1,K1,R1,R2,RAT= 109 109    0.4210475757E-01     1.957886848        0.9578868478    
FOB,PFOB,DIAG,PSTEP=   -0.4897666119E-05   -0.5112946391E-05     13.91483107        0.3674473535E-06
J1,K1,R1,R2,RAT= 110 110    0.1511320546         1.848864092        0.8488640923    
FOB,PFOB,DIAG,PSTEP=    0.8816681015E-05    0.1038640237E-04     12.24552096       -0.8481813403E-06
J1,K1,R1,R2,RAT= 111 111    0.1869817653         1.813029690        0.8130182347    
FOB,PFOB,DIAG,PSTEP=   -0.3068145211E-05   -0.3773766736E-05     10.08357324        0.3742468101E-06
J1,K1,R1,R2,RAT= 112 112    0.4554417283         625.3415695        0.5445582717    
FOB,PFOB,DIAG,PSTEP=    0.2880576393E-01    0.2884775349E-01     9.219524212       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8507970865         1893.189129        0.1492029135    
FOB,PFOB,DIAG,PSTEP=    0.1055779044        0.1054830538         5.764898249       -0.1933847651E-04
J1,K1,R1,R2,RAT= 114 114    0.1905084699        -58266.80122        0.8094915301    
FOB,PFOB,DIAG,PSTEP=    0.9140346249        0.9140286479         3.137401118        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002      0.00002 
    -0.00000      0.00001     -0.00000      0.02881      0.10558      0.91403 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3802134312
 Log product of positive Hessian eigenvalues =          519.0788194015
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1374011177
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000011
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000087
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000060
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000059
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000010
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000048
 Unscaled step for mode   56=        0.0000000084
 Unscaled step for mode   57=       -0.0000000021
 Unscaled step for mode   58=        0.0000000060
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000058
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=        0.0000000156
 Unscaled step for mode   64=       -0.0000000011
 Unscaled step for mode   65=       -0.0000000093
 Unscaled step for mode   66=        0.0000000054
 Unscaled step for mode   67=       -0.0000000151
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=       -0.0000000115
 Unscaled step for mode   71=       -0.0000000065
 Unscaled step for mode   72=        0.0000000098
 Unscaled step for mode   73=       -0.0000000010
 Unscaled step for mode   74=       -0.0000000007
 Unscaled step for mode   75=       -0.0000000019
 Unscaled step for mode   76=       -0.0000000013
 Unscaled step for mode   77=       -0.0000000169
 Unscaled step for mode   78=        0.0000000081
 Unscaled step for mode   79=       -0.0000000086
 Unscaled step for mode   80=       -0.0000000066
 Unscaled step for mode   81=       -0.0000000156
 Unscaled step for mode   82=       -0.0000000144
 Unscaled step for mode   83=       -0.0000000027
 Unscaled step for mode   84=        0.0000000034
 Unscaled step for mode   85=       -0.0000000270
 Unscaled step for mode   86=       -0.0000000068
 Unscaled step for mode   87=       -0.0000000120
 Unscaled step for mode   88=        0.0000000153
 Unscaled step for mode   89=        0.0000000310
 Unscaled step for mode   90=       -0.0000000384
 Unscaled step for mode   91=        0.0000000442
 Unscaled step for mode   92=        0.0000000644
 Unscaled step for mode   93=       -0.0000000622
 Unscaled step for mode   94=       -0.0000000122
 Unscaled step for mode   95=       -0.0000000381
 Unscaled step for mode   96=       -0.0000000238
 Unscaled step for mode   97=       -0.0000000638
 Unscaled step for mode   98=       -0.0000000113
 Unscaled step for mode   99=        0.0000000474
 Unscaled step for mode  100=       -0.0000000408
 Unscaled step for mode  101=       -0.0000003266
 Unscaled step for mode  102=       -0.0000000040
 Unscaled step for mode  103=       -0.0000000846
 Unscaled step for mode  104=       -0.0000000311
 Unscaled step for mode  105=       -0.0000002644
 Unscaled step for mode  106=        0.0000002192
 Unscaled step for mode  107=       -0.0000010432
 Unscaled step for mode  108=       -0.0000013968
 Unscaled step for mode  109=        0.0000003520
 Unscaled step for mode  110=       -0.0000007200
 Unscaled step for mode  111=        0.0000003043
 Unscaled step for mode  112=       -0.0031244001
 Unscaled step for mode  113=       -0.0183077849
 Unscaled step for mode  114=        0.2700835016
 Largest modulus ratio of non-zero e/values=           238.1166550    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.811092E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.245306E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.118650E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.296692E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.606828E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.395983E-14    0.974329E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172885E-06    0.747067E+03  0.231418E-09 0.100000E-04    0.987400E+00
   8   -0.397477E-06    0.673921E+03  0.589798E-09 0.100000E-04    0.953481E+00
   9   -0.694791E-06    0.630987E+03  0.110112E-08 0.100000E-04    0.948429E+00
  10   -0.275345E-07    0.600492E+03  0.458533E-10 0.100000E-04    0.500373E+00
  11   -0.487290E-08    0.586315E+03  0.831106E-11 0.109000E-04    0.136291E+00
  12   -0.992014E-06    0.578904E+03  0.171361E-08 0.100000E-04    0.945421E+00
  13    0.477198E-07    0.564494E+03 -0.845356E-10 0.100000E-04    0.899419E+00
  14    0.407585E-06    0.487416E+03 -0.836217E-09 0.100000E-04    0.933403E+00
  15   -0.425548E-06    0.460476E+03  0.924149E-09 0.100000E-04    0.940696E+00
  16   -0.120980E-06    0.459717E+03  0.263162E-09 0.100000E-04    0.818319E+00
  17   -0.585246E-06    0.441607E+03  0.132526E-08 0.100000E-04    0.911401E+00
  18   -0.387767E-06    0.429515E+03  0.902803E-09 0.100000E-04    0.933301E+00
  19   -0.162127E-06    0.421840E+03  0.384333E-09 0.100000E-04    0.679490E+00
  20   -0.349150E-06    0.407778E+03  0.856225E-09 0.100000E-04    0.925001E+00
  21   -0.406944E-06    0.396278E+03  0.102691E-08 0.100000E-04    0.920906E+00
  22   -0.617005E-06    0.387322E+03  0.159300E-08 0.100000E-04    0.993991E+00
  23    0.763614E-06    0.370078E+03 -0.206339E-08 0.100000E-04    0.925223E+00
  24   -0.414302E-06    0.360585E+03  0.114897E-08 0.100000E-04    0.982115E+00
  25   -0.966497E-07    0.349272E+03  0.276718E-09 0.100000E-04    0.319707E+00
  26   -0.511228E-07    0.335364E+03  0.152440E-09 0.100000E-04    0.389547E+01
  27    0.362161E-06    0.329393E+03 -0.109948E-08 0.100000E-04    0.891921E+00
  28   -0.381951E-06    0.321804E+03  0.118690E-08 0.100000E-04    0.896580E+00
  29   -0.798380E-07    0.319195E+03  0.250123E-09 0.100000E-04    0.515355E+00
  30   -0.134551E-05    0.309275E+03  0.435053E-08 0.100000E-04    0.960728E+00
  31   -0.102726E-05    0.300758E+03  0.341557E-08 0.100000E-04    0.956957E+00
  32   -0.122644E-05    0.290608E+03  0.422025E-08 0.100000E-04    0.969950E+00
  33   -0.256791E-07    0.279146E+03  0.919916E-10 0.100000E-04    0.329808E+00
  34   -0.422962E-07    0.272783E+03  0.155055E-09 0.100000E-04    0.140341E+01
  35    0.986542E-06    0.268564E+03 -0.367339E-08 0.100000E-04    0.970343E+00
  36    0.120120E-05    0.264987E+03 -0.453305E-08 0.100000E-04    0.986085E+00
  37   -0.486133E-06    0.263896E+03  0.184214E-08 0.100000E-04    0.899527E+00
  38   -0.127659E-06    0.253156E+03  0.504272E-09 0.100000E-04    0.962321E+00
  39   -0.456837E-06    0.241608E+03  0.189082E-08 0.100000E-04    0.893848E+00
  40   -0.117701E-05    0.240811E+03  0.488769E-08 0.100000E-04    0.987354E+00
  41   -0.957853E-06    0.234092E+03  0.409177E-08 0.100000E-04    0.987112E+00
  42   -0.164824E-05    0.227552E+03  0.724335E-08 0.100000E-04    0.964578E+00
  43    0.143019E-07    0.217210E+03 -0.658436E-10 0.100000E-04    0.865597E+00
  44   -0.187378E-05    0.214906E+03  0.871906E-08 0.100000E-04    0.969866E+00
  45    0.724115E-06    0.213231E+03 -0.339591E-08 0.100000E-04    0.981324E+00
  46    0.104110E-05    0.207727E+03 -0.501188E-08 0.100000E-04    0.985990E+00
  47   -0.712270E-06    0.202957E+03  0.350947E-08 0.100000E-04    0.967589E+00
  48   -0.118104E-05    0.195351E+03  0.604575E-08 0.100000E-04    0.927147E+00
  49    0.948212E-06    0.194879E+03 -0.486564E-08 0.100000E-04    0.948717E+00
  50    0.113769E-05    0.191409E+03 -0.594376E-08 0.100000E-04    0.876177E+00
  51    0.209254E-06    0.183035E+03 -0.114325E-08 0.100000E-04    0.863373E+00
  52   -0.597123E-06    0.174433E+03  0.342323E-08 0.100000E-04    0.929049E+00
  53   -0.167149E-06    0.172362E+03  0.969755E-09 0.100000E-04    0.844670E+00
  54   -0.215427E-06    0.168244E+03  0.128044E-08 0.100000E-04    0.929087E+00
  55   -0.787722E-06    0.163189E+03  0.482706E-08 0.100000E-04    0.989090E+00
  56   -0.132240E-05    0.156852E+03  0.843089E-08 0.100000E-04    0.974436E+00
  57    0.325594E-06    0.154964E+03 -0.210109E-08 0.100000E-04    0.834128E+00
  58   -0.907372E-06    0.152237E+03  0.596027E-08 0.100000E-04    0.997213E+00
  59    0.598960E-06    0.146605E+03 -0.408553E-08 0.100000E-04    0.997039E+00
  60   -0.161012E-06    0.143306E+03  0.112355E-08 0.100000E-04    0.730561E+00
  61   -0.806226E-06    0.138146E+03  0.583604E-08 0.100000E-04    0.815261E+00
  62   -0.920701E-06    0.135873E+03  0.677620E-08 0.100000E-04    0.969561E+00
  63   -0.203665E-05    0.130266E+03  0.156346E-07 0.100000E-04    0.917619E+00
  64    0.140971E-06    0.128861E+03 -0.109398E-08 0.100000E-04    0.550988E+00
  65    0.117882E-05    0.126919E+03 -0.928793E-08 0.100000E-04    0.883470E+00
  66   -0.664330E-06    0.123959E+03  0.535926E-08 0.100000E-04    0.889589E+00
  67    0.180749E-05    0.120030E+03 -0.150586E-07 0.100000E-04    0.961993E+00
  68    0.428736E-06    0.118181E+03 -0.362780E-08 0.100000E-04    0.932421E+00
  69    0.502597E-08    0.116794E+03 -0.430328E-10 0.114567E-04    0.971252E-01
  70    0.126907E-05    0.110388E+03 -0.114965E-07 0.100000E-04    0.945439E+00
  71    0.688989E-06    0.106810E+03 -0.645059E-08 0.100000E-04    0.911016E+00
  72   -0.102425E-05    0.104476E+03  0.980373E-08 0.100000E-04    0.826143E+00
  73    0.105659E-06    0.102863E+03 -0.102717E-08 0.100000E-04    0.726363E+00
  74    0.734411E-07    0.995053E+02 -0.738062E-09 0.100000E-04    0.354738E+00
  75    0.178843E-06    0.960698E+02 -0.186160E-08 0.100000E-04    0.281362E+01
  76    0.123859E-06    0.940799E+02 -0.131653E-08 0.100000E-04    0.839772E+00
  77    0.155610E-05    0.919272E+02 -0.169275E-07 0.100000E-04    0.955392E+00
  78   -0.740613E-06    0.912531E+02  0.811603E-08 0.100000E-04    0.966176E+00
  79    0.761060E-06    0.883667E+02 -0.861252E-08 0.100000E-04    0.980952E+00
  80    0.566190E-06    0.856396E+02 -0.661131E-08 0.100000E-04    0.916129E+00
  81    0.126502E-05    0.808435E+02 -0.156478E-07 0.100000E-04    0.994398E+00
  82    0.116113E-05    0.805706E+02 -0.144114E-07 0.100000E-04    0.928476E+00
  83    0.210543E-06    0.779338E+02 -0.270156E-08 0.100000E-04    0.545913E+00
  84   -0.247573E-06    0.732635E+02  0.337921E-08 0.100000E-04    0.539191E+00
  85    0.195799E-05    0.724973E+02 -0.270078E-07 0.100000E-04    0.887461E+00
  86    0.460402E-06    0.678863E+02 -0.678195E-08 0.100000E-04    0.830085E+00
  87    0.773304E-06    0.647081E+02 -0.119507E-07 0.100000E-04    0.782765E+00
  88   -0.937697E-06    0.613042E+02  0.152958E-07 0.100000E-04    0.937985E+00
  89   -0.185528E-05    0.598095E+02  0.310199E-07 0.100000E-04    0.946852E+00
  90    0.228121E-05    0.594099E+02 -0.383978E-07 0.100000E-04    0.974878E+00
  91   -0.257071E-05    0.581324E+02  0.442217E-07 0.100000E-04    0.916378E+00
  92   -0.359521E-05    0.558510E+02  0.643714E-07 0.100000E-04    0.946764E+00
  93    0.325955E-05    0.524352E+02 -0.621635E-07 0.100000E-04    0.982199E+00
  94    0.631741E-06    0.519914E+02 -0.121509E-07 0.100000E-04    0.781607E+00
  95    0.191424E-05    0.503016E+02 -0.380552E-07 0.100000E-04    0.886002E+00
  96    0.109920E-05    0.461147E+02 -0.238362E-07 0.100000E-04    0.919392E+00
  97    0.277066E-05    0.433992E+02 -0.638414E-07 0.100000E-04    0.879586E+00
  98    0.463119E-06    0.409280E+02 -0.113155E-07 0.100000E-04    0.640122E+00
  99   -0.179607E-05    0.378634E+02  0.474355E-07 0.100000E-04    0.805108E+00
 100    0.147707E-05    0.361721E+02 -0.408346E-07 0.100000E-04    0.888041E+00
 101    0.105278E-04    0.322298E+02 -0.326646E-06 0.100000E-04    0.938287E+00
 102    0.116984E-06    0.289361E+02 -0.404285E-08 0.100000E-04    0.288738E+00
 103    0.240744E-05    0.284589E+02 -0.845935E-07 0.100000E-04    0.960141E+00
 104    0.817849E-06    0.263286E+02 -0.310632E-07 0.109000E-04    0.937406E-01
 105    0.616596E-05    0.233226E+02 -0.264377E-06 0.100000E-04    0.927040E+00
 106   -0.468078E-05    0.213522E+02  0.219218E-06 0.100000E-04    0.965349E+00
 107    0.207024E-04    0.198442E+02 -0.104325E-05 0.100000E-04    0.919362E+00
 108    0.229710E-04    0.164453E+02 -0.139681E-05 0.100000E-04    0.928943E+00
 109   -0.489767E-05    0.139148E+02  0.351975E-06 0.100000E-04    0.957887E+00
 110    0.881668E-05    0.122455E+02 -0.719992E-06 0.100000E-04    0.848864E+00
 111   -0.306815E-05    0.100836E+02  0.304272E-06 0.100000E-04    0.813018E+00
 112    0.288058E-01    0.921952E+01 -0.100000E-04 0.100000E-04    0.544558E+00
 113    0.105578E+00    0.576490E+01 -0.210789E-04 0.210789E-04    0.149203E+00
 114    0.914035E+00    0.313740E+01  0.100000E-04 0.100000E-04    0.809492E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2107893939E-04    0.2700835016    

 Beginning of optimization cycle  710.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987529752
 potential> RMS force:                                               0.0862199426   |gradient|=.9205770740    
 Eigenvalues of the Hessian matrix:
   747.07116    673.91910    630.99033    600.49007    586.31460    578.90365 
   564.48992    487.41560    460.47501    459.71669    441.60692    429.51629 
   421.83936    407.77676    396.27789    387.32088    370.07833    360.58525 
   349.27126    335.36443    329.39343    321.80399    319.19555    309.27416 
   300.75777    290.60776    279.14760    272.78350    268.56466    264.98685 
   263.89679    253.15501    241.60883    240.81125    234.09321    227.55270 
   217.21033    214.90630    213.23112    207.72707    202.95640    195.34987 
   194.87962    191.40980    183.03568    174.43357    172.36219    168.24444 
   163.18864    156.85137    154.96481    152.23656    146.60464    143.30605 
   138.14659    135.87272    130.26561    128.86123    126.91925    123.95819 
   120.03049    118.18090    116.79358    110.38811    106.81010    104.47611 
   102.86336     99.50525     96.06960     94.07969     91.92682     91.25330 
    88.36622     85.63990     80.84361     80.57129     77.93355     73.26326 
    72.49676     67.88600     64.70772     61.30383     59.80921     59.40999 
    58.13236     55.85073     52.43506     51.99099     50.30217     46.11426 
    43.39975     40.92808     37.86338     36.17174     32.22948     28.93648 
    28.45893     26.32890     23.32249     21.35241     19.84407     16.44518 
    13.91489     12.24555     10.08352      9.22103      5.76506      3.13708 
overlap for current and previous eigenvector    109 is         0.9999999884
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is         0.9999999424
overlap for current and previous eigenvector    112 is         0.9999999131
overlap for current and previous eigenvector    113 is         0.9999999402
overlap for current and previous eigenvector    114 is         0.9999999681
J1,K1,R1,R2,RAT=   7   7    0.4994876051E-02     1.994995225        0.9949952248    
FOB,PFOB,DIAG,PSTEP=   -0.1720210961E-06   -0.1728846377E-06     747.0711572        0.2314177060E-09
J1,K1,R1,R2,RAT=   8   8   -0.3992605505E-01     2.039930242        0.9600739450    
FOB,PFOB,DIAG,PSTEP=   -0.4133465416E-06   -0.3974768906E-06     673.9191027        0.5897978806E-09
J1,K1,R1,R2,RAT=   9   9   -0.4393328416E-01     2.043924279        0.9560667158    
FOB,PFOB,DIAG,PSTEP=   -0.7253155638E-06   -0.6947909769E-06     630.9903291        0.1101116884E-08
J1,K1,R1,R2,RAT=  10  10   -0.8457007633         2.845707983        0.1542992367    
FOB,PFOB,DIAG,PSTEP=   -0.5082043332E-07   -0.2753453777E-07     600.4900659        0.4585327875E-10
J1,K1,R1,R2,RAT=  11  11    0.2302399839         1.769761680        0.7697600161    
FOB,PFOB,DIAG,PSTEP=   -0.3750964008E-08   -0.4872899340E-08     586.3146022        0.8311059057E-11
J1,K1,R1,R2,RAT= 109 109   -0.3838414669E-01     2.038375581        0.9616158533    
FOB,PFOB,DIAG,PSTEP=   -0.5085659659E-05   -0.4897666119E-05     13.91489067        0.3519745295E-06
J1,K1,R1,R2,RAT= 110 110   -0.1468658775         2.146861927        0.8531341225    
FOB,PFOB,DIAG,PSTEP=    0.1011155317E-04    0.8816681015E-05     12.24554515       -0.7199923176E-06
J1,K1,R1,R2,RAT= 111 111   -0.2307631527         2.230773843        0.7692368473    
FOB,PFOB,DIAG,PSTEP=   -0.3776156289E-05   -0.3068145211E-05     10.08351935        0.3042716245E-06
J1,K1,R1,R2,RAT= 112 112    0.4280815847         624.3559951        0.5719184153    
FOB,PFOB,DIAG,PSTEP=    0.2876629039E-01    0.2880576393E-01     9.221030113       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7935737310         1738.395880        0.2064262690    
FOB,PFOB,DIAG,PSTEP=    0.1056743405        0.1055779044         5.765060823       -0.2107893939E-04
J1,K1,R1,R2,RAT= 114 114    0.1444921855        -58273.16914        0.8555078145    
FOB,PFOB,DIAG,PSTEP=    0.9140391578        0.9140346249         3.137076308        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002      0.00002 
    -0.00001      0.00001     -0.00000      0.02877      0.10567      0.91404 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3801926023
 Log product of positive Hessian eigenvalues =          519.0788804817
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1370763076
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000045
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=       -0.0000000000
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000064
 Unscaled step for mode   49=       -0.0000000051
 Unscaled step for mode   50=       -0.0000000066
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000048
 Unscaled step for mode   56=        0.0000000086
 Unscaled step for mode   57=       -0.0000000025
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000015
 Unscaled step for mode   61=        0.0000000069
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000168
 Unscaled step for mode   64=       -0.0000000018
 Unscaled step for mode   65=       -0.0000000103
 Unscaled step for mode   66=        0.0000000059
 Unscaled step for mode   67=       -0.0000000155
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000004
 Unscaled step for mode   70=       -0.0000000120
 Unscaled step for mode   71=       -0.0000000070
 Unscaled step for mode   72=        0.0000000086
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000006
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=        0.0000000163
 Unscaled step for mode   78=        0.0000000083
 Unscaled step for mode   79=       -0.0000000087
 Unscaled step for mode   80=       -0.0000000071
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=       -0.0000000153
 Unscaled step for mode   83=       -0.0000000020
 Unscaled step for mode   84=        0.0000000058
 Unscaled step for mode   85=       -0.0000000299
 Unscaled step for mode   86=       -0.0000000079
 Unscaled step for mode   87=       -0.0000000146
 Unscaled step for mode   88=        0.0000000144
 Unscaled step for mode   89=        0.0000000325
 Unscaled step for mode   90=       -0.0000000391
 Unscaled step for mode   91=        0.0000000472
 Unscaled step for mode   92=        0.0000000672
 Unscaled step for mode   93=       -0.0000000629
 Unscaled step for mode   94=       -0.0000000102
 Unscaled step for mode   95=       -0.0000000423
 Unscaled step for mode   96=       -0.0000000253
 Unscaled step for mode   97=       -0.0000000710
 Unscaled step for mode   98=       -0.0000000168
 Unscaled step for mode   99=        0.0000000570
 Unscaled step for mode  100=       -0.0000000450
 Unscaled step for mode  101=       -0.0000003430
 Unscaled step for mode  102=       -0.0000000120
 Unscaled step for mode  103=       -0.0000000876
 Unscaled step for mode  104=       -0.0000000198
 Unscaled step for mode  105=       -0.0000002808
 Unscaled step for mode  106=        0.0000002251
 Unscaled step for mode  107=       -0.0000011156
 Unscaled step for mode  108=       -0.0000014812
 Unscaled step for mode  109=        0.0000003655
 Unscaled step for mode  110=       -0.0000008257
 Unscaled step for mode  111=        0.0000003745
 Unscaled step for mode  112=       -0.0031196092
 Unscaled step for mode  113=       -0.0183239799
 Unscaled step for mode  114=        0.2701088203
 Largest modulus ratio of non-zero e/values=           238.1424881    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.150888E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.255742E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.526380E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.119197E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.430064E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.463497E-14    0.974330E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.172021E-06    0.747071E+03  0.230261E-09 0.100000E-04    0.994995E+00
   8   -0.413347E-06    0.673919E+03  0.613347E-09 0.100000E-04    0.960074E+00
   9   -0.725316E-06    0.630990E+03  0.114949E-08 0.100000E-04    0.956067E+00
  10   -0.508204E-07    0.600490E+03  0.846316E-10 0.109000E-04    0.154299E+00
  11   -0.375096E-08    0.586315E+03  0.639753E-11 0.100000E-04    0.769760E+00
  12   -0.103920E-05    0.578904E+03  0.179512E-08 0.100000E-04    0.952432E+00
  13    0.438467E-07    0.564490E+03 -0.776748E-10 0.100000E-04    0.918834E+00
  14    0.432392E-06    0.487416E+03 -0.887111E-09 0.100000E-04    0.939138E+00
  15   -0.447303E-06    0.460475E+03  0.971395E-09 0.100000E-04    0.948878E+00
  16   -0.143034E-06    0.459717E+03  0.311136E-09 0.100000E-04    0.817706E+00
  17   -0.632728E-06    0.441607E+03  0.143279E-08 0.100000E-04    0.918869E+00
  18   -0.409986E-06    0.429516E+03  0.954530E-09 0.100000E-04    0.942701E+00
  19   -0.129085E-06    0.421839E+03  0.306006E-09 0.100000E-04    0.796198E+00
  20   -0.372177E-06    0.407777E+03  0.912697E-09 0.100000E-04    0.934050E+00
  21   -0.435718E-06    0.396278E+03  0.109953E-08 0.100000E-04    0.929291E+00
  22   -0.618555E-06    0.387321E+03  0.159701E-08 0.100000E-04    0.997488E+00
  23    0.814673E-06    0.370078E+03 -0.220135E-08 0.100000E-04    0.933135E+00
  24   -0.419988E-06    0.360585E+03  0.116474E-08 0.100000E-04    0.986275E+00
  25   -0.633395E-07    0.349271E+03  0.181348E-09 0.100000E-04    0.655350E+00
  26   -0.303116E-08    0.335364E+03  0.903841E-11 0.109000E-04    0.592896E-01
  27    0.397156E-06    0.329393E+03 -0.120572E-08 0.100000E-04    0.903372E+00
  28   -0.416932E-06    0.321804E+03  0.129561E-08 0.100000E-04    0.908414E+00
  29   -0.138173E-06    0.319196E+03  0.432879E-09 0.100000E-04    0.269334E+00
  30   -0.138516E-05    0.309274E+03  0.447876E-08 0.100000E-04    0.970529E+00
  31   -0.106429E-05    0.300758E+03  0.353868E-08 0.100000E-04    0.963956E+00
  32   -0.125517E-05    0.290608E+03  0.431913E-08 0.100000E-04    0.976571E+00
  33   -0.682753E-07    0.279148E+03  0.244585E-09 0.100000E-04    0.658779E+00
  34    0.151026E-08    0.272784E+03 -0.553648E-11 0.109000E-04    0.357049E-01
  35    0.100833E-05    0.268565E+03 -0.375452E-08 0.100000E-04    0.977914E+00
  36    0.121362E-05    0.264987E+03 -0.457994E-08 0.100000E-04    0.989653E+00
  37   -0.531387E-06    0.263897E+03  0.201362E-08 0.100000E-04    0.906910E+00
  38   -0.123443E-06    0.253155E+03  0.487617E-09 0.100000E-04    0.966971E+00
  39   -0.422694E-06    0.241609E+03  0.174950E-08 0.100000E-04    0.925259E+00
  40   -0.118747E-05    0.240811E+03  0.493111E-08 0.100000E-04    0.991115E+00
  41   -0.948223E-06    0.234093E+03  0.405062E-08 0.100000E-04    0.989940E+00
  42   -0.169229E-05    0.227553E+03  0.743693E-08 0.100000E-04    0.973274E+00
  43    0.142134E-07    0.217210E+03 -0.654363E-10 0.100000E-04    0.993811E+00
  44   -0.191959E-05    0.214906E+03  0.893222E-08 0.100000E-04    0.975551E+00
  45    0.710777E-06    0.213231E+03 -0.333337E-08 0.100000E-04    0.981581E+00
  46    0.105450E-05    0.207727E+03 -0.507638E-08 0.100000E-04    0.987128E+00
  47   -0.732275E-06    0.202956E+03  0.360804E-08 0.100000E-04    0.971914E+00
  48   -0.125324E-05    0.195350E+03  0.641534E-08 0.100000E-04    0.938871E+00
  49    0.991455E-06    0.194880E+03 -0.508753E-08 0.100000E-04    0.954395E+00
  50    0.126819E-05    0.191410E+03 -0.662551E-08 0.100000E-04    0.885296E+00
  51    0.235862E-06    0.183036E+03 -0.128861E-08 0.100000E-04    0.872844E+00
  52   -0.632874E-06    0.174434E+03  0.362817E-08 0.100000E-04    0.940129E+00
  53   -0.149155E-06    0.172362E+03  0.865356E-09 0.100000E-04    0.892343E+00
  54   -0.202950E-06    0.168244E+03  0.120628E-08 0.100000E-04    0.942079E+00
  55   -0.776382E-06    0.163189E+03  0.475758E-08 0.100000E-04    0.985604E+00
  56   -0.135037E-05    0.156851E+03  0.860923E-08 0.100000E-04    0.978849E+00
  57    0.380939E-06    0.154965E+03 -0.245823E-08 0.100000E-04    0.830019E+00
  58   -0.902102E-06    0.152237E+03  0.592566E-08 0.100000E-04    0.994192E+00
  59    0.595401E-06    0.146605E+03 -0.406127E-08 0.100000E-04    0.994058E+00
  60   -0.211794E-06    0.143306E+03  0.147791E-08 0.100000E-04    0.684609E+00
  61   -0.957407E-06    0.138147E+03  0.693037E-08 0.100000E-04    0.812484E+00
  62   -0.942011E-06    0.135873E+03  0.693304E-08 0.100000E-04    0.976855E+00
  63   -0.218369E-05    0.130266E+03  0.167634E-07 0.100000E-04    0.927804E+00
  64    0.233929E-06    0.128861E+03 -0.181536E-08 0.100000E-04    0.340592E+00
  65    0.130867E-05    0.126919E+03 -0.103110E-07 0.100000E-04    0.889845E+00
  66   -0.734416E-06    0.123958E+03  0.592471E-08 0.100000E-04    0.894501E+00
  67    0.186391E-05    0.120030E+03 -0.155287E-07 0.100000E-04    0.968785E+00
  68    0.454153E-06    0.118181E+03 -0.384286E-08 0.100000E-04    0.940717E+00
  69   -0.455608E-07    0.116794E+03  0.390097E-09 0.103214E-04    0.706510E+01
  70    0.132808E-05    0.110388E+03 -0.120310E-07 0.100000E-04    0.953501E+00
  71    0.744545E-06    0.106810E+03 -0.697073E-08 0.100000E-04    0.919367E+00
  72   -0.899448E-06    0.104476E+03  0.860913E-08 0.100000E-04    0.878146E+00
  73    0.137752E-06    0.102863E+03 -0.133918E-08 0.100000E-04    0.696252E+00
  74    0.363214E-07    0.995053E+02 -0.365020E-09 0.100000E-04    0.494565E+00
  75    0.591408E-07    0.960696E+02 -0.615603E-09 0.100000E-04    0.330683E+00
  76    0.141757E-06    0.940797E+02 -0.150677E-08 0.100000E-04    0.855499E+00
  77   -0.149851E-05    0.919268E+02  0.163011E-07 0.100000E-04    0.962991E+00
  78   -0.758236E-06    0.912533E+02  0.830913E-08 0.100000E-04    0.976206E+00
  79    0.770275E-06    0.883662E+02 -0.871685E-08 0.100000E-04    0.987892E+00
  80    0.610228E-06    0.856399E+02 -0.712551E-08 0.100000E-04    0.922222E+00
  81    0.126795E-05    0.808436E+02 -0.156840E-07 0.100000E-04    0.997684E+00
  82    0.123355E-05    0.805713E+02 -0.153100E-07 0.100000E-04    0.937636E+00
  83    0.155400E-06    0.779335E+02 -0.199400E-08 0.100000E-04    0.738091E+00
  84   -0.421584E-06    0.732633E+02  0.575437E-08 0.100000E-04    0.297129E+00
  85    0.216776E-05    0.724968E+02 -0.299015E-07 0.100000E-04    0.892863E+00
  86    0.536440E-06    0.678860E+02 -0.790207E-08 0.100000E-04    0.834844E+00
  87    0.945913E-06    0.647077E+02 -0.146182E-07 0.100000E-04    0.776789E+00
  88   -0.885726E-06    0.613038E+02  0.144481E-07 0.100000E-04    0.944576E+00
  89   -0.194201E-05    0.598092E+02  0.324700E-07 0.100000E-04    0.953255E+00
  90    0.232475E-05    0.594100E+02 -0.391307E-07 0.100000E-04    0.980911E+00
  91   -0.274273E-05    0.581324E+02  0.471807E-07 0.100000E-04    0.933087E+00
  92   -0.375081E-05    0.558507E+02  0.671577E-07 0.100000E-04    0.956720E+00
  93    0.329646E-05    0.524351E+02 -0.628674E-07 0.100000E-04    0.988678E+00
  94    0.530744E-06    0.519910E+02 -0.102084E-07 0.100000E-04    0.840128E+00
  95    0.212558E-05    0.503022E+02 -0.422562E-07 0.100000E-04    0.889597E+00
  96    0.116555E-05    0.461143E+02 -0.252753E-07 0.100000E-04    0.939636E+00
  97    0.307954E-05    0.433997E+02 -0.709575E-07 0.100000E-04    0.888522E+00
  98    0.687414E-06    0.409281E+02 -0.167957E-07 0.100000E-04    0.515686E+00
  99   -0.215865E-05    0.378634E+02  0.570115E-07 0.100000E-04    0.798127E+00
 100    0.162952E-05    0.361717E+02 -0.450495E-07 0.100000E-04    0.896791E+00
 101    0.110539E-04    0.322295E+02 -0.342975E-06 0.100000E-04    0.950021E+00
 102    0.347349E-06    0.289365E+02 -0.120038E-07 0.100000E-04    0.969165E+00
 103    0.249204E-05    0.284589E+02 -0.875660E-07 0.100000E-04    0.964859E+00
 104    0.521760E-06    0.263289E+02 -0.198170E-07 0.100000E-04    0.637947E+00
 105    0.654935E-05    0.233225E+02 -0.280817E-06 0.100000E-04    0.937821E+00
 106   -0.480714E-05    0.213524E+02  0.225133E-06 0.100000E-04    0.973004E+00
 107    0.221380E-04    0.198441E+02 -0.111560E-05 0.100000E-04    0.930657E+00
 108    0.243584E-04    0.164452E+02 -0.148119E-05 0.100000E-04    0.939598E+00
 109   -0.508566E-05    0.139149E+02  0.365483E-06 0.100000E-04    0.961616E+00
 110    0.101116E-04    0.122455E+02 -0.825733E-06 0.100000E-04    0.853134E+00
 111   -0.377616E-05    0.100835E+02  0.374488E-06 0.100000E-04    0.769237E+00
 112    0.287663E-01    0.922103E+01 -0.100000E-04 0.100000E-04    0.571918E+00
 113    0.105674E+00    0.576506E+01 -0.189900E-04 0.189900E-04    0.206426E+00
 114    0.914039E+00    0.313708E+01  0.100000E-04 0.100000E-04    0.855508E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1899003549E-04    0.2701088203    

 Beginning of optimization cycle  711.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987461276
 potential> RMS force:                                               0.0862214131   |gradient|=.9205927746    
 Eigenvalues of the Hessian matrix:
   747.07475    673.91792    630.99307    600.48787    586.31419    578.90368 
   564.48610    487.41530    460.47380    459.71619    441.60645    429.51744 
   421.83874    407.77526    396.27735    387.31953    370.07877    360.58539 
   349.27055    335.36503    329.39423    321.80377    319.19612    309.27306 
   300.75719    290.60781    279.14897    272.78394    268.56489    264.98714 
   263.89727    253.15443    241.60916    240.81153    234.09391    227.55297 
   217.21102    214.90643    213.23085    207.72753    202.95603    195.34911 
   194.87994    191.41024    183.03636    174.43426    172.36243    168.24469 
   163.18835    156.85116    154.96530    152.23639    146.60411    143.30568 
   138.14707    135.87270    130.26540    128.86142    126.91945    123.95714 
   120.03067    118.18103    116.79319    110.38834    106.80997    104.47632 
   102.86345     99.50519     96.06943     94.07948     91.92642     91.25349 
    88.36573     85.64017     80.84369     80.57191     77.93334     73.26308 
    72.49624     67.88573     64.70732     61.30342     59.80893     59.41008 
    58.13235     55.85053     52.43497     51.99065     50.30273     46.11388 
    43.40028     40.92820     37.86336     36.17145     32.22913     28.93680 
    28.45899     26.32918     23.32238     21.35267     19.84397     16.44509 
    13.91495     12.24557     10.08346      9.22245      5.76520      3.13676 
overlap for current and previous eigenvector    109 is        -0.9999999899
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999513
overlap for current and previous eigenvector    112 is         0.9999999252
overlap for current and previous eigenvector    113 is        -0.9999999471
overlap for current and previous eigenvector    114 is        -0.9999999723
J1,K1,R1,R2,RAT=   7   7   -0.1238635833E-01     2.012376740        0.9876136417    
FOB,PFOB,DIAG,PSTEP=   -0.1741518212E-06   -0.1720210961E-06     747.0747500        0.2302606578E-09
J1,K1,R1,R2,RAT=   8   8    0.4605988413E-01     1.953943632        0.9539401159    
FOB,PFOB,DIAG,PSTEP=   -0.3943078813E-06   -0.4133465416E-06     673.9179181        0.6133474180E-09
J1,K1,R1,R2,RAT=   9   9    0.5107479665E-01     1.948916528        0.9489165276    
FOB,PFOB,DIAG,PSTEP=   -0.6882700582E-06   -0.7253155638E-06     630.9930663        0.1149487607E-08
J1,K1,R1,R2,RAT=  10  10    0.5319730184         1.468034287        0.4680269816    
FOB,PFOB,DIAG,PSTEP=   -0.2378543276E-07   -0.5082043332E-07     600.4878724        0.8463159711E-10
J1,K1,R1,R2,RAT=  11  11   -0.6707820211         2.670783437        0.3292179789    
FOB,PFOB,DIAG,PSTEP=   -0.6267041445E-08   -0.3750964008E-08     586.3141872        0.6397527869E-11
J1,K1,R1,R2,RAT= 109 109     1.958608210        0.4138337744E-01    0.9586082100    
FOB,PFOB,DIAG,PSTEP=    0.4875197000E-05   -0.5085659659E-05     13.91494920        0.3654832640E-06
J1,K1,R1,R2,RAT= 110 110    0.1524761128         1.847519935        0.8475199348    
FOB,PFOB,DIAG,PSTEP=    0.8569779799E-05    0.1011155317E-04     12.24556935       -0.8257331989E-06
J1,K1,R1,R2,RAT= 111 111    0.1846792255         1.815332140        0.8153207745    
FOB,PFOB,DIAG,PSTEP=   -0.3078782633E-05   -0.3776156289E-05     10.08346204        0.3744879302E-06
J1,K1,R1,R2,RAT= 112 112    0.4614023158         623.3707710        0.5385976842    
FOB,PFOB,DIAG,PSTEP=    0.2872373782E-01    0.2876629039E-01     9.222445274       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1931.309036       -0.8567230547        0.1432769453    
FOB,PFOB,DIAG,PSTEP=   -0.1057681358        0.1056743405         5.765204114       -0.1899003549E-04
J1,K1,R1,R2,RAT= 114 114    -58279.31455        0.2009290598        0.7990709402    
FOB,PFOB,DIAG,PSTEP=   -0.9140454604        0.9140391578         3.136764103        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001      0.00000     -0.00002     -0.00002 
     0.00000      0.00001     -0.00000      0.02872     -0.10577     -0.91405 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3801700767
 Log product of positive Hessian eigenvalues =          519.0789368614
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1367641028
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000008
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000011
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000036
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000072
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000087
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000058
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000034
 Unscaled step for mode   53=        0.0000000010
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000084
 Unscaled step for mode   57=        0.0000000020
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=        0.0000000011
 Unscaled step for mode   61=        0.0000000056
 Unscaled step for mode   62=       -0.0000000067
 Unscaled step for mode   63=        0.0000000154
 Unscaled step for mode   64=       -0.0000000009
 Unscaled step for mode   65=        0.0000000091
 Unscaled step for mode   66=       -0.0000000053
 Unscaled step for mode   67=       -0.0000000149
 Unscaled step for mode   68=       -0.0000000036
 Unscaled step for mode   69=        0.0000000001
 Unscaled step for mode   70=       -0.0000000114
 Unscaled step for mode   71=        0.0000000064
 Unscaled step for mode   72=       -0.0000000100
 Unscaled step for mode   73=        0.0000000010
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=       -0.0000000021
 Unscaled step for mode   76=       -0.0000000013
 Unscaled step for mode   77=        0.0000000170
 Unscaled step for mode   78=       -0.0000000080
 Unscaled step for mode   79=       -0.0000000086
 Unscaled step for mode   80=        0.0000000065
 Unscaled step for mode   81=        0.0000000156
 Unscaled step for mode   82=       -0.0000000142
 Unscaled step for mode   83=       -0.0000000028
 Unscaled step for mode   84=       -0.0000000029
 Unscaled step for mode   85=       -0.0000000265
 Unscaled step for mode   86=        0.0000000065
 Unscaled step for mode   87=       -0.0000000114
 Unscaled step for mode   88=       -0.0000000153
 Unscaled step for mode   89=       -0.0000000308
 Unscaled step for mode   90=       -0.0000000382
 Unscaled step for mode   91=       -0.0000000432
 Unscaled step for mode   92=        0.0000000636
 Unscaled step for mode   93=       -0.0000000618
 Unscaled step for mode   94=       -0.0000000124
 Unscaled step for mode   95=       -0.0000000374
 Unscaled step for mode   96=        0.0000000232
 Unscaled step for mode   97=       -0.0000000624
 Unscaled step for mode   98=       -0.0000000105
 Unscaled step for mode   99=       -0.0000000457
 Unscaled step for mode  100=       -0.0000000400
 Unscaled step for mode  101=       -0.0000003219
 Unscaled step for mode  102=        0.0000000022
 Unscaled step for mode  103=        0.0000000841
 Unscaled step for mode  104=        0.0000000344
 Unscaled step for mode  105=        0.0000002604
 Unscaled step for mode  106=       -0.0000002175
 Unscaled step for mode  107=        0.0000010257
 Unscaled step for mode  108=        0.0000013762
 Unscaled step for mode  109=       -0.0000003504
 Unscaled step for mode  110=       -0.0000006998
 Unscaled step for mode  111=        0.0000003053
 Unscaled step for mode  112=       -0.0031145166
 Unscaled step for mode  113=        0.0183397775
 Unscaled step for mode  114=       -0.2701336572
 Largest modulus ratio of non-zero e/values=           238.1673360    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.562809E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.279036E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.254354E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.209940E-16    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.567657E-17    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6    0.440572E-14    0.974330E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174152E-06    0.747075E+03  0.233112E-09 0.100000E-04    0.987614E+00
   8   -0.394308E-06    0.673918E+03  0.585098E-09 0.100000E-04    0.953940E+00
   9   -0.688270E-06    0.630993E+03  0.109077E-08 0.100000E-04    0.948917E+00
  10   -0.237854E-07    0.600488E+03  0.396102E-10 0.100000E-04    0.468027E+00
  11   -0.626704E-08    0.586314E+03  0.106889E-10 0.100000E-04    0.329218E+00
  12   -0.983018E-06    0.578904E+03  0.169807E-08 0.100000E-04    0.945935E+00
  13    0.481444E-07    0.564486E+03 -0.852889E-10 0.100000E-04    0.901982E+00
  14    0.403852E-06    0.487415E+03 -0.828558E-09 0.100000E-04    0.933995E+00
  15   -0.420961E-06    0.460474E+03  0.914190E-09 0.100000E-04    0.941108E+00
  16   -0.116649E-06    0.459716E+03  0.253741E-09 0.100000E-04    0.815529E+00
  17   -0.576857E-06    0.441606E+03  0.130627E-08 0.100000E-04    0.911699E+00
  18   -0.382787E-06    0.429517E+03  0.891202E-09 0.100000E-04    0.933653E+00
  19   -0.167789E-06    0.421839E+03  0.397756E-09 0.100000E-04    0.700171E+00
  20   -0.344402E-06    0.407775E+03  0.844588E-09 0.100000E-04    0.925373E+00
  21   -0.401395E-06    0.396277E+03  0.101291E-08 0.100000E-04    0.921226E+00
  22   -0.614949E-06    0.387320E+03  0.158771E-08 0.100000E-04    0.994170E+00
  23    0.754104E-06    0.370079E+03 -0.203769E-08 0.100000E-04    0.925650E+00
  24   -0.412629E-06    0.360585E+03  0.114433E-08 0.100000E-04    0.982477E+00
  25   -0.101809E-06    0.349271E+03  0.291491E-09 0.100000E-04    0.392641E+00
  26   -0.618484E-07    0.335365E+03  0.184421E-09 0.100000E-04    0.184042E+02
  27    0.354055E-06    0.329394E+03 -0.107487E-08 0.100000E-04    0.891473E+00
  28   -0.373651E-06    0.321804E+03  0.116111E-08 0.100000E-04    0.896190E+00
  29   -0.643437E-07    0.319196E+03  0.201580E-09 0.100000E-04    0.465672E+00
  30   -0.133118E-05    0.309273E+03  0.430421E-08 0.100000E-04    0.961024E+00
  31   -0.101896E-05    0.300757E+03  0.338799E-08 0.100000E-04    0.957412E+00
  32   -0.121791E-05    0.290608E+03  0.419092E-08 0.100000E-04    0.970316E+00
  33   -0.169503E-07    0.279149E+03  0.607213E-10 0.100000E-04    0.248258E+00
  34   -0.523308E-07    0.272784E+03  0.191840E-09 0.100000E-04    0.326501E+02
  35    0.978777E-06    0.268565E+03 -0.364447E-08 0.100000E-04    0.970689E+00
  36    0.119710E-05    0.264987E+03 -0.451758E-08 0.100000E-04    0.986383E+00
  37   -0.478066E-06    0.263897E+03  0.181156E-08 0.100000E-04    0.899653E+00
  38   -0.128035E-06    0.253154E+03  0.505758E-09 0.100000E-04    0.962799E+00
  39   -0.465825E-06    0.241609E+03  0.192801E-08 0.100000E-04    0.897961E+00
  40   -0.117273E-05    0.240812E+03  0.486990E-08 0.100000E-04    0.987586E+00
  41   -0.960302E-06    0.234094E+03  0.410221E-08 0.100000E-04    0.987261E+00
  42   -0.163295E-05    0.227553E+03  0.717613E-08 0.100000E-04    0.964931E+00
  43    0.158486E-07    0.217211E+03 -0.729640E-10 0.100000E-04    0.884959E+00
  44   -0.186257E-05    0.214906E+03  0.866690E-08 0.100000E-04    0.970296E+00
  45    0.723884E-06    0.213231E+03 -0.339483E-08 0.100000E-04    0.981561E+00
  46    0.104006E-05    0.207728E+03 -0.500683E-08 0.100000E-04    0.986299E+00
  47   -0.708905E-06    0.202956E+03  0.349290E-08 0.100000E-04    0.968085E+00
  48   -0.116208E-05    0.195349E+03  0.594873E-08 0.100000E-04    0.927262E+00
  49    0.941069E-06    0.194880E+03 -0.482897E-08 0.100000E-04    0.949176E+00
  50    0.111036E-05    0.191410E+03 -0.580094E-08 0.100000E-04    0.875543E+00
  51    0.203325E-06    0.183036E+03 -0.111084E-08 0.100000E-04    0.862044E+00
  52   -0.588083E-06    0.174434E+03  0.337137E-08 0.100000E-04    0.929219E+00
  53   -0.171203E-06    0.172362E+03  0.993275E-09 0.100000E-04    0.852176E+00
  54   -0.216978E-06    0.168245E+03  0.128966E-08 0.100000E-04    0.930878E+00
  55    0.784859E-06    0.163188E+03 -0.480953E-08 0.100000E-04    0.989081E+00
  56    0.131640E-05    0.156851E+03 -0.839264E-08 0.100000E-04    0.974841E+00
  57   -0.317360E-06    0.154965E+03  0.204794E-08 0.100000E-04    0.833094E+00
  58   -0.904640E-06    0.152236E+03  0.594234E-08 0.100000E-04    0.997187E+00
  59   -0.597223E-06    0.146604E+03  0.407371E-08 0.100000E-04    0.996941E+00
  60   -0.153446E-06    0.143306E+03  0.107076E-08 0.100000E-04    0.724507E+00
  61   -0.777948E-06    0.138147E+03  0.563130E-08 0.100000E-04    0.812551E+00
  62    0.913649E-06    0.135873E+03 -0.672430E-08 0.100000E-04    0.969891E+00
  63   -0.200406E-05    0.130265E+03  0.153844E-07 0.100000E-04    0.917738E+00
  64    0.120915E-06    0.128861E+03 -0.938331E-09 0.100000E-04    0.516883E+00
  65   -0.115603E-05    0.126919E+03  0.910841E-08 0.100000E-04    0.883364E+00
  66    0.653363E-06    0.123957E+03 -0.527088E-08 0.100000E-04    0.889635E+00
  67    0.179392E-05    0.120031E+03 -0.149455E-07 0.100000E-04    0.962448E+00
  68    0.423676E-06    0.118181E+03 -0.358498E-08 0.100000E-04    0.932892E+00
  69   -0.101985E-07    0.116793E+03  0.873208E-10 0.100000E-04    0.223841E+00
  70    0.125628E-05    0.110388E+03 -0.113805E-07 0.100000E-04    0.945929E+00
  71   -0.678305E-06    0.106810E+03  0.635058E-08 0.100000E-04    0.911033E+00
  72    0.104866E-05    0.104476E+03 -0.100373E-07 0.100000E-04    0.834112E+00
  73   -0.987432E-07    0.102863E+03  0.959945E-09 0.100000E-04    0.716817E+00
  74    0.777898E-07    0.995052E+02 -0.781766E-09 0.109000E-04    0.141707E+00
  75    0.198441E-06    0.960694E+02 -0.206560E-08 0.100000E-04    0.135541E+01
  76    0.118709E-06    0.940795E+02 -0.126179E-08 0.100000E-04    0.837411E+00
  77   -0.156391E-05    0.919264E+02  0.170127E-07 0.100000E-04    0.956353E+00
  78    0.732807E-06    0.912535E+02 -0.803045E-08 0.100000E-04    0.966459E+00
  79    0.755730E-06    0.883657E+02 -0.855230E-08 0.100000E-04    0.981118E+00
  80   -0.559217E-06    0.856402E+02  0.652985E-08 0.100000E-04    0.916401E+00
  81   -0.126104E-05    0.808437E+02  0.155985E-07 0.100000E-04    0.994544E+00
  82    0.114570E-05    0.805719E+02 -0.142196E-07 0.100000E-04    0.928767E+00
  83    0.220204E-06    0.779333E+02 -0.282554E-08 0.100000E-04    0.582983E+00
  84    0.213827E-06    0.732631E+02 -0.291862E-08 0.100000E-04    0.507199E+00
  85    0.192378E-05    0.724962E+02 -0.265363E-07 0.100000E-04    0.887448E+00
  86   -0.443942E-06    0.678857E+02  0.653954E-08 0.100000E-04    0.827569E+00
  87    0.734907E-06    0.647073E+02 -0.113574E-07 0.100000E-04    0.776927E+00
  88    0.939857E-06    0.613034E+02 -0.153312E-07 0.100000E-04    0.938885E+00
  89    0.184010E-05    0.598089E+02 -0.307663E-07 0.100000E-04    0.947523E+00
  90    0.226698E-05    0.594101E+02 -0.381582E-07 0.100000E-04    0.975147E+00
  91    0.251265E-05    0.581323E+02 -0.432229E-07 0.100000E-04    0.916114E+00
  92   -0.355219E-05    0.558505E+02  0.636018E-07 0.100000E-04    0.947048E+00
  93    0.323858E-05    0.524350E+02 -0.617637E-07 0.100000E-04    0.982442E+00
  94    0.642230E-06    0.519906E+02 -0.123528E-07 0.100000E-04    0.789943E+00
  95    0.188372E-05    0.503027E+02 -0.374476E-07 0.100000E-04    0.886193E+00
  96   -0.107106E-05    0.461139E+02  0.232263E-07 0.100000E-04    0.918925E+00
  97    0.270744E-05    0.434003E+02 -0.623829E-07 0.100000E-04    0.879147E+00
  98    0.431492E-06    0.409282E+02 -0.105427E-07 0.100000E-04    0.627698E+00
  99    0.173142E-05    0.378634E+02 -0.457282E-07 0.100000E-04    0.802086E+00
 100    0.144664E-05    0.361714E+02 -0.399940E-07 0.100000E-04    0.887770E+00
 101    0.103741E-04    0.322291E+02 -0.321885E-06 0.100000E-04    0.938496E+00
 102   -0.639092E-07    0.289368E+02  0.220858E-08 0.109000E-04    0.183978E+00
 103   -0.239403E-05    0.284590E+02  0.841221E-07 0.100000E-04    0.960669E+00
 104   -0.905035E-06    0.263292E+02  0.343738E-07 0.100000E-04    0.265428E+00
 105   -0.607250E-05    0.233224E+02  0.260372E-06 0.100000E-04    0.927190E+00
 106    0.464314E-05    0.213527E+02 -0.217450E-06 0.100000E-04    0.965860E+00
 107   -0.203540E-04    0.198440E+02  0.102570E-05 0.100000E-04    0.919417E+00
 108   -0.226323E-04    0.164451E+02  0.137623E-05 0.100000E-04    0.929135E+00
 109    0.487520E-05    0.139149E+02 -0.350357E-06 0.100000E-04    0.958608E+00
 110    0.856978E-05    0.122456E+02 -0.699827E-06 0.100000E-04    0.847520E+00
 111   -0.307878E-05    0.100835E+02  0.305330E-06 0.100000E-04    0.815321E+00
 112    0.287237E-01    0.922245E+01 -0.100000E-04 0.100000E-04    0.538598E+00
 113   -0.105768E+00    0.576520E+01  0.206991E-04 0.206991E-04    0.143277E+00
 114   -0.914045E+00    0.313676E+01 -0.100000E-04 0.100000E-04    0.799071E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2069913868E-04    0.2701336572    

 Beginning of optimization cycle  712.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987394619
 potential> RMS force:                                               0.0862227766   |gradient|=.9206073328    
 Eigenvalues of the Hessian matrix:
   747.07842    673.91654    630.99588    600.48571    586.31371    578.90371 
   564.48205    487.41490    460.47256    459.71567    441.60593    429.51873 
   421.83809    407.77367    396.27678    387.31814    370.07923    360.58556 
   349.26989    335.36566    329.39507    321.80349    319.19682    309.27193 
   300.75665    290.60789    279.15044    272.78440    268.56519    264.98745 
   263.89784    253.15387    241.60958    240.81180    234.09469    227.55329 
   217.21180    214.90656    213.23058    207.72802    202.95564    195.34833 
   194.88030    191.41068    183.03710    174.43499    172.36268    168.24497 
   163.18804    156.85095    154.96580    152.23621    146.60355    143.30528 
   138.14758    135.87270    130.26515    128.86162    126.91965    123.95604 
   120.03086    118.18114    116.79276    110.38858    106.80983    104.47652 
   102.86353     99.50512     96.06923     94.07924     91.92604     91.25369 
    88.36523     85.64046     80.84379     80.57256     77.93311     73.26286 
    72.49567     67.88541     64.70690     61.30303     59.80864     59.41015 
    58.13232     55.85030     52.43487     51.99028     50.30331     46.11346 
    43.40084     40.92831     37.86331     36.17108     32.22876     28.93713 
    28.45905     26.32947     23.32229     21.35291     19.84389     16.44498 
    13.91501     12.24559     10.08341      9.22394      5.76536      3.13644 
overlap for current and previous eigenvector    109 is        -0.9999999887
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999433
overlap for current and previous eigenvector    112 is         0.9999999146
overlap for current and previous eigenvector    113 is        -0.9999999417
overlap for current and previous eigenvector    114 is        -0.9999999691
J1,K1,R1,R2,RAT=   7   7    0.4942921399E-02     1.995047266        0.9950472663    
FOB,PFOB,DIAG,PSTEP=   -0.1732909983E-06   -0.1741518212E-06     747.0784153        0.2331116414E-09
J1,K1,R1,R2,RAT=   8   8   -0.3952878730E-01     2.039532888        0.9604712127    
FOB,PFOB,DIAG,PSTEP=   -0.4098943617E-06   -0.3943078813E-06     673.9165362        0.5850977852E-09
J1,K1,R1,R2,RAT=   9   9   -0.4350327159E-01     2.043494350        0.9564967284    
FOB,PFOB,DIAG,PSTEP=   -0.7182121910E-06   -0.6882700582E-06     630.9958809        0.1090772775E-08
J1,K1,R1,R2,RAT=  10  10   -0.9624680077         2.962475215        0.3753199227E-01
FOB,PFOB,DIAG,PSTEP=   -0.4667806836E-07   -0.2378543276E-07     600.4857086        0.3961018009E-10
J1,K1,R1,R2,RAT=  11  11    0.1715767205         1.828424897        0.8284232795    
FOB,PFOB,DIAG,PSTEP=   -0.5191763896E-08   -0.6267041445E-08     586.3137131        0.1068887907E-10
J1,K1,R1,R2,RAT= 109 109     2.037677992       -0.3768657274E-01    0.9623134273    
FOB,PFOB,DIAG,PSTEP=   -0.5058927255E-05    0.4875197000E-05     13.91500890       -0.3503567948E-06
J1,K1,R1,R2,RAT= 110 110   -0.1483978106         2.148393760        0.8516021894    
FOB,PFOB,DIAG,PSTEP=    0.9841518934E-05    0.8569779799E-05     12.24559415       -0.6998269787E-06
J1,K1,R1,R2,RAT= 111 111   -0.2269049115         2.226915519        0.7730950885    
FOB,PFOB,DIAG,PSTEP=   -0.3777369829E-05   -0.3078782633E-05     10.08340856        0.3053299175E-06
J1,K1,R1,R2,RAT= 112 112    0.4345641882         622.3741801        0.5654358118    
FOB,PFOB,DIAG,PSTEP=    0.2868365390E-01    0.2872373782E-01     9.223935302       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1773.379291       -0.7989427020        0.2010572980    
FOB,PFOB,DIAG,PSTEP=    0.1058634801       -0.1057681358         5.765362794        0.2069913868E-04
J1,K1,R1,R2,RAT= 114 114    -58285.67285        0.1557017207        0.8442982793    
FOB,PFOB,DIAG,PSTEP=    0.9140503439       -0.9140454604         3.136441110       -0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002      0.00002 
    -0.00001      0.00001     -0.00000      0.02868      0.10586      0.91405 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3801489977
 Log product of positive Hessian eigenvalues =          519.0789971939
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1364411099
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000022
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000000
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000013
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000000
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000020
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000089
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000063
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000065
 Unscaled step for mode   51=       -0.0000000013
 Unscaled step for mode   52=        0.0000000036
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000047
 Unscaled step for mode   56=        0.0000000086
 Unscaled step for mode   57=       -0.0000000024
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=       -0.0000000040
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000067
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000165
 Unscaled step for mode   64=       -0.0000000016
 Unscaled step for mode   65=       -0.0000000101
 Unscaled step for mode   66=        0.0000000058
 Unscaled step for mode   67=       -0.0000000154
 Unscaled step for mode   68=       -0.0000000038
 Unscaled step for mode   69=        0.0000000003
 Unscaled step for mode   70=       -0.0000000119
 Unscaled step for mode   71=       -0.0000000069
 Unscaled step for mode   72=        0.0000000089
 Unscaled step for mode   73=       -0.0000000013
 Unscaled step for mode   74=       -0.0000000004
 Unscaled step for mode   75=       -0.0000000008
 Unscaled step for mode   76=       -0.0000000014
 Unscaled step for mode   77=        0.0000000164
 Unscaled step for mode   78=        0.0000000082
 Unscaled step for mode   79=        0.0000000087
 Unscaled step for mode   80=        0.0000000070
 Unscaled step for mode   81=       -0.0000000156
 Unscaled step for mode   82=       -0.0000000151
 Unscaled step for mode   83=       -0.0000000021
 Unscaled step for mode   84=        0.0000000053
 Unscaled step for mode   85=       -0.0000000294
 Unscaled step for mode   86=       -0.0000000076
 Unscaled step for mode   87=       -0.0000000140
 Unscaled step for mode   88=        0.0000000145
 Unscaled step for mode   89=        0.0000000322
 Unscaled step for mode   90=       -0.0000000389
 Unscaled step for mode   91=        0.0000000461
 Unscaled step for mode   92=        0.0000000663
 Unscaled step for mode   93=       -0.0000000625
 Unscaled step for mode   94=       -0.0000000104
 Unscaled step for mode   95=       -0.0000000416
 Unscaled step for mode   96=       -0.0000000246
 Unscaled step for mode   97=       -0.0000000694
 Unscaled step for mode   98=       -0.0000000159
 Unscaled step for mode   99=        0.0000000551
 Unscaled step for mode  100=       -0.0000000441
 Unscaled step for mode  101=       -0.0000003379
 Unscaled step for mode  102=       -0.0000000100
 Unscaled step for mode  103=       -0.0000000870
 Unscaled step for mode  104=       -0.0000000233
 Unscaled step for mode  105=       -0.0000002765
 Unscaled step for mode  106=        0.0000002232
 Unscaled step for mode  107=       -0.0000010968
 Unscaled step for mode  108=       -0.0000014591
 Unscaled step for mode  109=        0.0000003636
 Unscaled step for mode  110=       -0.0000008037
 Unscaled step for mode  111=        0.0000003746
 Unscaled step for mode  112=       -0.0031096680
 Unscaled step for mode  113=       -0.0183557939
 Unscaled step for mode  114=        0.2701589385
 Largest modulus ratio of non-zero e/values=           238.1930312    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.492228E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.286446E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.731552E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.485290E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.749509E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.491046E-14    0.974330E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.173291E-06    0.747078E+03  0.231958E-09 0.100000E-04    0.995047E+00
   8   -0.409894E-06    0.673917E+03  0.608227E-09 0.100000E-04    0.960471E+00
   9   -0.718212E-06    0.630996E+03  0.113822E-08 0.100000E-04    0.956497E+00
  10   -0.466781E-07    0.600486E+03  0.777339E-10 0.109000E-04    0.375320E-01
  11   -0.519176E-08    0.586314E+03  0.885492E-11 0.100000E-04    0.828423E+00
  12   -0.102932E-05    0.578904E+03  0.177805E-08 0.100000E-04    0.952896E+00
  13    0.443294E-07    0.564482E+03 -0.785311E-10 0.100000E-04    0.920759E+00
  14    0.428199E-06    0.487415E+03 -0.878509E-09 0.100000E-04    0.939714E+00
  15   -0.442324E-06    0.460473E+03  0.960586E-09 0.100000E-04    0.949252E+00
  16   -0.138311E-06    0.459716E+03  0.300861E-09 0.100000E-04    0.814297E+00
  17   -0.623483E-06    0.441606E+03  0.141185E-08 0.100000E-04    0.919173E+00
  18   -0.404596E-06    0.429519E+03  0.941975E-09 0.100000E-04    0.943026E+00
  19   -0.135297E-06    0.421838E+03  0.320732E-09 0.100000E-04    0.806353E+00
  20   -0.366993E-06    0.407774E+03  0.899991E-09 0.100000E-04    0.934406E+00
  21   -0.429655E-06    0.396277E+03  0.108423E-08 0.100000E-04    0.929595E+00
  22   -0.616428E-06    0.387318E+03  0.159153E-08 0.100000E-04    0.997595E+00
  23    0.804223E-06    0.370079E+03 -0.217311E-08 0.100000E-04    0.933539E+00
  24   -0.418173E-06    0.360586E+03  0.115971E-08 0.100000E-04    0.986565E+00
  25   -0.690672E-07    0.349270E+03  0.197747E-09 0.100000E-04    0.678398E+00
  26   -0.145453E-07    0.335366E+03  0.433714E-10 0.100000E-04    0.235174E+00
  27    0.388419E-06    0.329395E+03 -0.117919E-08 0.100000E-04    0.902941E+00
  28   -0.408010E-06    0.321803E+03  0.126788E-08 0.100000E-04    0.908044E+00
  29   -0.121698E-06    0.319197E+03  0.381262E-09 0.109000E-04    0.108633E+00
  30   -0.137010E-05    0.309272E+03  0.443009E-08 0.100000E-04    0.970759E+00
  31   -0.105529E-05    0.300757E+03  0.350879E-08 0.100000E-04    0.964346E+00
  32   -0.124609E-05    0.290608E+03  0.428789E-08 0.100000E-04    0.976862E+00
  33   -0.588431E-07    0.279150E+03  0.210794E-09 0.100000E-04    0.147149E+01
  34   -0.924181E-08    0.272784E+03  0.338796E-10 0.109000E-04    0.176602E+00
  35    0.100014E-05    0.268565E+03 -0.372400E-08 0.100000E-04    0.978176E+00
  36    0.120923E-05    0.264987E+03 -0.456333E-08 0.100000E-04    0.989872E+00
  37   -0.522511E-06    0.263898E+03  0.197997E-08 0.100000E-04    0.907032E+00
  38   -0.123858E-06    0.253154E+03  0.489259E-09 0.100000E-04    0.967376E+00
  39   -0.432243E-06    0.241610E+03  0.178901E-08 0.100000E-04    0.927905E+00
  40   -0.118295E-05    0.240812E+03  0.491233E-08 0.100000E-04    0.991287E+00
  41   -0.950767E-06    0.234095E+03  0.406146E-08 0.100000E-04    0.990064E+00
  42   -0.167614E-05    0.227553E+03  0.736591E-08 0.100000E-04    0.973553E+00
  43    0.157774E-07    0.217212E+03 -0.726360E-10 0.100000E-04    0.995501E+00
  44   -0.190745E-05    0.214907E+03  0.887574E-08 0.100000E-04    0.975904E+00
  45    0.710730E-06    0.213231E+03 -0.333315E-08 0.100000E-04    0.981829E+00
  46    0.105317E-05    0.207728E+03 -0.506993E-08 0.100000E-04    0.987396E+00
  47   -0.728511E-06    0.202956E+03  0.358951E-08 0.100000E-04    0.972342E+00
  48   -0.123298E-05    0.195348E+03  0.631172E-08 0.100000E-04    0.938984E+00
  49    0.983577E-06    0.194880E+03 -0.504708E-08 0.100000E-04    0.954830E+00
  50    0.123848E-05    0.191411E+03 -0.647025E-08 0.100000E-04    0.884618E+00
  51    0.229466E-06    0.183037E+03 -0.125366E-08 0.100000E-04    0.871431E+00
  52   -0.623203E-06    0.174435E+03  0.357269E-08 0.100000E-04    0.940282E+00
  53   -0.153543E-06    0.172363E+03  0.890812E-09 0.100000E-04    0.896842E+00
  54   -0.204716E-06    0.168245E+03  0.121678E-08 0.100000E-04    0.943484E+00
  55   -0.773619E-06    0.163188E+03  0.474066E-08 0.100000E-04    0.985679E+00
  56   -0.134380E-05    0.156851E+03  0.856734E-08 0.100000E-04    0.979185E+00
  57    0.371706E-06    0.154966E+03 -0.239863E-08 0.100000E-04    0.828756E+00
  58   -0.899420E-06    0.152236E+03  0.590806E-08 0.100000E-04    0.994230E+00
  59    0.593665E-06    0.146604E+03 -0.404946E-08 0.100000E-04    0.994044E+00
  60   -0.203333E-06    0.143305E+03  0.141888E-08 0.100000E-04    0.674890E+00
  61   -0.926471E-06    0.138148E+03  0.670639E-08 0.100000E-04    0.809085E+00
  62   -0.934549E-06    0.135873E+03  0.687812E-08 0.100000E-04    0.977125E+00
  63   -0.214851E-05    0.130265E+03  0.164934E-07 0.100000E-04    0.927917E+00
  64    0.212337E-06    0.128862E+03 -0.164779E-08 0.100000E-04    0.243908E+00
  65    0.128353E-05    0.126920E+03 -0.101129E-07 0.100000E-04    0.889717E+00
  66   -0.722263E-06    0.123956E+03  0.582677E-08 0.100000E-04    0.894544E+00
  67    0.184924E-05    0.120031E+03 -0.154064E-07 0.100000E-04    0.969162E+00
  68    0.448606E-06    0.118181E+03 -0.379592E-08 0.100000E-04    0.941160E+00
  69   -0.394861E-07    0.116793E+03  0.338087E-09 0.100000E-04    0.187178E+01
  70    0.131415E-05    0.110389E+03 -0.119047E-07 0.100000E-04    0.953934E+00
  71    0.732958E-06    0.106810E+03 -0.686227E-08 0.100000E-04    0.919427E+00
  72   -0.925939E-06    0.104477E+03  0.886265E-08 0.100000E-04    0.882973E+00
  73    0.130184E-06    0.102864E+03 -0.126560E-08 0.100000E-04    0.681593E+00
  74    0.413365E-07    0.995051E+02 -0.415420E-09 0.100000E-04    0.531386E+00
  75    0.807885E-07    0.960692E+02 -0.840941E-09 0.100000E-04    0.407114E+00
  76    0.136165E-06    0.940792E+02 -0.144734E-08 0.100000E-04    0.852948E+00
  77   -0.150727E-05    0.919260E+02  0.163965E-07 0.100000E-04    0.963779E+00
  78   -0.750066E-06    0.912537E+02  0.821956E-08 0.100000E-04    0.976448E+00
  79   -0.764789E-06    0.883652E+02  0.865486E-08 0.100000E-04    0.988014E+00
  80   -0.602548E-06    0.856405E+02  0.703578E-08 0.100000E-04    0.922516E+00
  81    0.126386E-05    0.808438E+02 -0.156334E-07 0.100000E-04    0.997762E+00
  82    0.121685E-05    0.805726E+02 -0.151025E-07 0.100000E-04    0.937897E+00
  83    0.165879E-06    0.779331E+02 -0.212848E-08 0.100000E-04    0.753297E+00
  84   -0.384688E-06    0.732629E+02  0.525079E-08 0.100000E-04    0.200940E+00
  85    0.212990E-05    0.724957E+02 -0.293797E-07 0.100000E-04    0.892855E+00
  86    0.518570E-06    0.678854E+02 -0.763891E-08 0.100000E-04    0.831894E+00
  87    0.904584E-06    0.647069E+02 -0.139797E-07 0.100000E-04    0.769116E+00
  88   -0.888535E-06    0.613030E+02  0.144942E-07 0.100000E-04    0.945394E+00
  89   -0.192501E-05    0.598086E+02  0.321862E-07 0.100000E-04    0.953852E+00
  90    0.230979E-05    0.594102E+02 -0.388788E-07 0.100000E-04    0.981116E+00
  91   -0.268136E-05    0.581323E+02  0.461251E-07 0.100000E-04    0.932856E+00
  92   -0.370506E-05    0.558503E+02  0.663391E-07 0.100000E-04    0.956966E+00
  93    0.327472E-05    0.524349E+02 -0.624532E-07 0.100000E-04    0.988839E+00
  94    0.542813E-06    0.519903E+02 -0.104407E-07 0.100000E-04    0.845199E+00
  95    0.209136E-05    0.503033E+02 -0.415750E-07 0.100000E-04    0.889771E+00
  96    0.113608E-05    0.461135E+02 -0.246366E-07 0.100000E-04    0.939291E+00
  97    0.301054E-05    0.434008E+02 -0.693660E-07 0.100000E-04    0.888048E+00
  98    0.651912E-06    0.409283E+02 -0.159281E-07 0.100000E-04    0.489170E+00
  99   -0.208763E-05    0.378633E+02  0.551361E-07 0.100000E-04    0.794266E+00
 100    0.159632E-05    0.361711E+02 -0.441325E-07 0.100000E-04    0.896531E+00
 101    0.108906E-04    0.322288E+02 -0.337917E-06 0.100000E-04    0.950205E+00
 102    0.290486E-06    0.289371E+02 -0.100385E-07 0.100000E-04    0.254525E+01
 103    0.247705E-05    0.284590E+02 -0.870391E-07 0.100000E-04    0.965323E+00
 104    0.613212E-06    0.263295E+02 -0.232900E-07 0.100000E-04    0.677538E+00
 105    0.644924E-05    0.233223E+02 -0.276527E-06 0.100000E-04    0.937958E+00
 106   -0.476655E-05    0.213529E+02  0.223227E-06 0.100000E-04    0.973420E+00
 107    0.217645E-04    0.198439E+02 -0.109678E-05 0.100000E-04    0.930704E+00
 108    0.239953E-04    0.164450E+02 -0.145913E-05 0.100000E-04    0.939775E+00
 109   -0.505893E-05    0.139150E+02  0.363559E-06 0.100000E-04    0.962313E+00
 110    0.984152E-05    0.122456E+02 -0.803678E-06 0.100000E-04    0.851602E+00
 111   -0.377737E-05    0.100834E+02  0.374612E-06 0.100000E-04    0.773095E+00
 112    0.286837E-01    0.922394E+01 -0.100000E-04 0.100000E-04    0.565436E+00
 113    0.105863E+00    0.576536E+01 -0.186479E-04 0.186479E-04    0.201057E+00
 114    0.914050E+00    0.313644E+01  0.100000E-04 0.100000E-04    0.844298E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1864787269E-04    0.2701589385    

 Beginning of optimization cycle  713.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987325807
 potential> RMS force:                                               0.0862242663   |gradient|=.9206232381    
 Eigenvalues of the Hessian matrix:
   747.08198    673.91538    630.99859    600.48352    586.31331    578.90374 
   564.47827    487.41461    460.47136    459.71517    441.60547    429.51985 
   421.83747    407.77218    396.27625    387.31679    370.07968    360.58569 
   349.26918    335.36625    329.39587    321.80328    319.19738    309.27084 
   300.75607    290.60795    279.15180    272.78484    268.56541    264.98773 
   263.89831    253.15329    241.60989    240.81208    234.09539    227.55354 
   217.21248    214.90669    213.23031    207.72848    202.95526    195.34757 
   194.88061    191.41110    183.03776    174.43567    172.36291    168.24522 
   163.18776    156.85074    154.96628    152.23604    146.60302    143.30492 
   138.14805    135.87269    130.26495    128.86180    126.91985    123.95501 
   120.03104    118.18127    116.79238    110.38880    106.80971    104.47673 
   102.86361     99.50506     96.06906     94.07904     91.92564     91.25387 
    88.36476     85.64073     80.84388     80.57317     77.93290     73.26269 
    72.49516     67.88515     64.70651     61.30263     59.80836     59.41025 
    58.13230     55.85010     52.43478     51.98995     50.30386     46.11307 
    43.40137     40.92842     37.86329     36.17081     32.22841     28.93745 
    28.45910     26.32974     23.32218     21.35317     19.84379     16.44489 
    13.91507     12.24562     10.08335      9.22534      5.76550      3.13613 
overlap for current and previous eigenvector    109 is         0.9999999901
overlap for current and previous eigenvector    110 is         0.9999999988
overlap for current and previous eigenvector    111 is         0.9999999520
overlap for current and previous eigenvector    112 is         0.9999999265
overlap for current and previous eigenvector    113 is         0.9999999485
overlap for current and previous eigenvector    114 is         0.9999999731
J1,K1,R1,R2,RAT=   7   7   -0.1217237648E-01     2.012162839        0.9878276235    
FOB,PFOB,DIAG,PSTEP=   -0.1754003716E-06   -0.1732909983E-06     747.0819778        0.2319582452E-09
J1,K1,R1,R2,RAT=   8   8    0.4560135424E-01     1.954402087        0.9543986458    
FOB,PFOB,DIAG,PSTEP=   -0.3912026558E-06   -0.4098943617E-06     673.9153767        0.6082271908E-09
J1,K1,R1,R2,RAT=   9   9    0.5058759302E-01     1.949403808        0.9494038082    
FOB,PFOB,DIAG,PSTEP=   -0.6818794088E-06   -0.7182121910E-06     630.9985939        0.1138220094E-08
J1,K1,R1,R2,RAT=  10  10    0.5695171707         1.430490122        0.4304828293    
FOB,PFOB,DIAG,PSTEP=   -0.2009420386E-07   -0.4667806836E-07     600.4835192        0.7773385393E-10
J1,K1,R1,R2,RAT=  11  11   -0.4704163350         2.470417708        0.5295836650    
FOB,PFOB,DIAG,PSTEP=   -0.7634052764E-08   -0.5191763896E-08     586.3133106        0.8854924898E-11
J1,K1,R1,R2,RAT= 109 109    0.4067373438E-01     1.959317835        0.9593178351    
FOB,PFOB,DIAG,PSTEP=   -0.4853160924E-05   -0.5058927255E-05     13.91506755        0.3635590385E-06
J1,K1,R1,R2,RAT= 110 110    0.1538693392         1.846126610        0.8461266105    
FOB,PFOB,DIAG,PSTEP=    0.8327207852E-05    0.9841518934E-05     12.24561895       -0.8036783529E-06
J1,K1,R1,R2,RAT= 111 111    0.1824385985         1.817572680        0.8175614015    
FOB,PFOB,DIAG,PSTEP=   -0.3088235658E-05   -0.3777369829E-05     10.08335170        0.3746123947E-06
J1,K1,R1,R2,RAT= 112 112    0.4672502152         621.3779149        0.5327497848    
FOB,PFOB,DIAG,PSTEP=    0.2864054849E-01    0.2868365390E-01     9.225336308       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8627988626         1970.152902        0.1372011374    
FOB,PFOB,DIAG,PSTEP=    0.1059562433        0.1058634801         5.765502547       -0.1864787269E-04
J1,K1,R1,R2,RAT= 114 114    0.2111814882        -58291.81194        0.7888185118    
FOB,PFOB,DIAG,PSTEP=    0.9140569668        0.9140503439         3.136130530        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002      0.00002 
    -0.00000      0.00001     -0.00000      0.02864      0.10596      0.91406 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3801262498
 Log product of positive Hessian eigenvalues =          519.0790529306
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1361305303
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000000
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000002
 Unscaled step for mode   17=        0.0000000013
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000008
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000020
 Unscaled step for mode   24=        0.0000000011
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000002
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000011
 Unscaled step for mode   29=        0.0000000002
 Unscaled step for mode   30=        0.0000000043
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000000
 Unscaled step for mode   34=        0.0000000002
 Unscaled step for mode   35=       -0.0000000036
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000018
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000020
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000071
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000086
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000059
 Unscaled step for mode   49=       -0.0000000048
 Unscaled step for mode   50=       -0.0000000057
 Unscaled step for mode   51=       -0.0000000011
 Unscaled step for mode   52=        0.0000000033
 Unscaled step for mode   53=        0.0000000010
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=        0.0000000048
 Unscaled step for mode   56=        0.0000000084
 Unscaled step for mode   57=       -0.0000000020
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=       -0.0000000041
 Unscaled step for mode   60=        0.0000000010
 Unscaled step for mode   61=        0.0000000054
 Unscaled step for mode   62=        0.0000000067
 Unscaled step for mode   63=        0.0000000151
 Unscaled step for mode   64=       -0.0000000008
 Unscaled step for mode   65=       -0.0000000089
 Unscaled step for mode   66=        0.0000000052
 Unscaled step for mode   67=       -0.0000000148
 Unscaled step for mode   68=       -0.0000000035
 Unscaled step for mode   69=       -0.0000000001
 Unscaled step for mode   70=       -0.0000000113
 Unscaled step for mode   71=       -0.0000000063
 Unscaled step for mode   72=        0.0000000103
 Unscaled step for mode   73=       -0.0000000009
 Unscaled step for mode   74=       -0.0000000008
 Unscaled step for mode   75=       -0.0000000023
 Unscaled step for mode   76=       -0.0000000012
 Unscaled step for mode   77=        0.0000000171
 Unscaled step for mode   78=       -0.0000000079
 Unscaled step for mode   79=        0.0000000085
 Unscaled step for mode   80=        0.0000000064
 Unscaled step for mode   81=       -0.0000000156
 Unscaled step for mode   82=       -0.0000000140
 Unscaled step for mode   83=       -0.0000000029
 Unscaled step for mode   84=        0.0000000025
 Unscaled step for mode   85=       -0.0000000261
 Unscaled step for mode   86=       -0.0000000063
 Unscaled step for mode   87=       -0.0000000108
 Unscaled step for mode   88=        0.0000000154
 Unscaled step for mode   89=        0.0000000305
 Unscaled step for mode   90=       -0.0000000379
 Unscaled step for mode   91=        0.0000000422
 Unscaled step for mode   92=        0.0000000628
 Unscaled step for mode   93=       -0.0000000614
 Unscaled step for mode   94=       -0.0000000126
 Unscaled step for mode   95=       -0.0000000369
 Unscaled step for mode   96=       -0.0000000226
 Unscaled step for mode   97=       -0.0000000610
 Unscaled step for mode   98=       -0.0000000098
 Unscaled step for mode   99=        0.0000000440
 Unscaled step for mode  100=       -0.0000000392
 Unscaled step for mode  101=       -0.0000003172
 Unscaled step for mode  102=       -0.0000000004
 Unscaled step for mode  103=       -0.0000000837
 Unscaled step for mode  104=       -0.0000000376
 Unscaled step for mode  105=       -0.0000002564
 Unscaled step for mode  106=        0.0000002157
 Unscaled step for mode  107=       -0.0000010085
 Unscaled step for mode  108=       -0.0000013560
 Unscaled step for mode  109=        0.0000003488
 Unscaled step for mode  110=       -0.0000006800
 Unscaled step for mode  111=        0.0000003063
 Unscaled step for mode  112=       -0.0031045234
 Unscaled step for mode  113=       -0.0183714223
 Unscaled step for mode  114=        0.2701837441
 Largest modulus ratio of non-zero e/values=           238.2177561    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.138171E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.281459E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.168268E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.237454E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.378350E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.436406E-14    0.974330E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.175400E-06    0.747082E+03  0.234781E-09 0.100000E-04    0.987828E+00
   8   -0.391203E-06    0.673915E+03  0.580492E-09 0.100000E-04    0.954399E+00
   9   -0.681879E-06    0.630999E+03  0.108064E-08 0.100000E-04    0.949404E+00
  10   -0.200942E-07    0.600484E+03  0.334634E-10 0.100000E-04    0.430483E+00
  11   -0.763405E-08    0.586313E+03  0.130204E-10 0.100000E-04    0.529584E+00
  12   -0.974199E-06    0.578904E+03  0.168283E-08 0.100000E-04    0.946448E+00
  13    0.485645E-07    0.564478E+03 -0.860342E-10 0.100000E-04    0.904463E+00
  14    0.400189E-06    0.487415E+03 -0.821045E-09 0.100000E-04    0.934588E+00
  15   -0.416457E-06    0.460471E+03  0.904414E-09 0.100000E-04    0.941520E+00
  16   -0.112391E-06    0.459715E+03  0.244480E-09 0.100000E-04    0.812599E+00
  17   -0.568616E-06    0.441605E+03  0.128761E-08 0.100000E-04    0.911999E+00
  18   -0.377897E-06    0.429520E+03  0.879812E-09 0.100000E-04    0.934005E+00
  19   -0.173362E-06    0.421837E+03  0.410969E-09 0.100000E-04    0.718654E+00
  20   -0.339742E-06    0.407772E+03  0.833167E-09 0.100000E-04    0.925747E+00
  21   -0.395948E-06    0.396276E+03  0.999173E-09 0.100000E-04    0.921549E+00
  22   -0.612942E-06    0.387317E+03  0.158253E-08 0.100000E-04    0.994344E+00
  23    0.744776E-06    0.370080E+03 -0.201248E-08 0.100000E-04    0.926080E+00
  24   -0.410994E-06    0.360586E+03  0.113979E-08 0.100000E-04    0.982831E+00
  25   -0.106887E-06    0.349269E+03  0.306032E-09 0.100000E-04    0.452412E+00
  26   -0.723974E-07    0.335366E+03  0.215876E-09 0.100000E-04    0.297738E+01
  27    0.346090E-06    0.329396E+03 -0.105068E-08 0.100000E-04    0.891016E+00
  28   -0.365491E-06    0.321803E+03  0.113576E-08 0.100000E-04    0.895791E+00
  29   -0.491009E-07    0.319197E+03  0.153826E-09 0.100000E-04    0.403464E+00
  30   -0.131711E-05    0.309271E+03  0.425877E-08 0.100000E-04    0.961324E+00
  31   -0.101083E-05    0.300756E+03  0.336096E-08 0.100000E-04    0.957868E+00
  32   -0.120956E-05    0.290608E+03  0.416218E-08 0.100000E-04    0.970681E+00
  33   -0.836150E-08    0.279152E+03  0.299532E-10 0.109000E-04    0.142093E+00
  34   -0.622107E-07    0.272785E+03  0.228058E-09 0.100000E-04    0.473142E+01
  35    0.971168E-06    0.268565E+03 -0.361613E-08 0.100000E-04    0.971033E+00
  36    0.119312E-05    0.264988E+03 -0.450254E-08 0.100000E-04    0.986677E+00
  37   -0.470147E-06    0.263898E+03  0.178155E-08 0.100000E-04    0.899781E+00
  38   -0.128406E-06    0.253153E+03  0.507226E-09 0.100000E-04    0.963281E+00
  39   -0.474674E-06    0.241610E+03  0.196463E-08 0.100000E-04    0.901835E+00
  40   -0.116853E-05    0.240812E+03  0.485247E-08 0.100000E-04    0.987814E+00
  41   -0.962734E-06    0.234095E+03  0.411257E-08 0.100000E-04    0.987413E+00
  42   -0.161795E-05    0.227554E+03  0.711021E-08 0.100000E-04    0.965285E+00
  43    0.173563E-07    0.217212E+03 -0.799047E-10 0.100000E-04    0.899928E+00
  44   -0.185161E-05    0.214907E+03  0.861588E-08 0.100000E-04    0.970722E+00
  45    0.723666E-06    0.213230E+03 -0.339382E-08 0.100000E-04    0.981798E+00
  46    0.103906E-05    0.207728E+03 -0.500200E-08 0.100000E-04    0.986600E+00
  47   -0.705619E-06    0.202955E+03  0.347672E-08 0.100000E-04    0.968576E+00
  48   -0.114345E-05    0.195348E+03  0.585339E-08 0.100000E-04    0.927380E+00
  49    0.934043E-06    0.194881E+03 -0.479290E-08 0.100000E-04    0.949636E+00
  50    0.108354E-05    0.191411E+03 -0.566080E-08 0.100000E-04    0.874894E+00
  51    0.197496E-06    0.183038E+03 -0.107899E-08 0.100000E-04    0.860669E+00
  52   -0.579205E-06    0.174436E+03  0.332045E-08 0.100000E-04    0.929394E+00
  53   -0.175177E-06    0.172363E+03  0.101633E-08 0.100000E-04    0.859100E+00
  54   -0.218513E-06    0.168245E+03  0.129878E-08 0.100000E-04    0.932607E+00
  55   -0.782072E-06    0.163188E+03  0.479247E-08 0.100000E-04    0.989074E+00
  56   -0.131052E-05    0.156851E+03  0.835524E-08 0.100000E-04    0.975241E+00
  57    0.309270E-06    0.154966E+03 -0.199573E-08 0.100000E-04    0.832023E+00
  58   -0.901974E-06    0.152236E+03  0.592484E-08 0.100000E-04    0.997161E+00
  59    0.595537E-06    0.146603E+03 -0.406224E-08 0.100000E-04    0.996848E+00
  60   -0.146001E-06    0.143305E+03  0.101882E-08 0.100000E-04    0.718040E+00
  61   -0.750183E-06    0.138148E+03  0.543028E-08 0.100000E-04    0.809714E+00
  62   -0.906716E-06    0.135873E+03  0.667328E-08 0.100000E-04    0.970218E+00
  63   -0.197204E-05    0.130265E+03  0.151387E-07 0.100000E-04    0.917861E+00
  64    0.101163E-06    0.128862E+03 -0.785049E-09 0.100000E-04    0.476423E+00
  65    0.113369E-05    0.126920E+03 -0.893232E-08 0.100000E-04    0.883258E+00
  66   -0.642588E-06    0.123955E+03  0.518404E-08 0.100000E-04    0.889685E+00
  67    0.178065E-05    0.120031E+03 -0.148349E-07 0.100000E-04    0.962902E+00
  68    0.418714E-06    0.118181E+03 -0.354298E-08 0.100000E-04    0.933366E+00
  69    0.152799E-07    0.116792E+03 -0.130829E-09 0.100000E-04    0.386966E+00
  70    0.124374E-05    0.110389E+03 -0.112669E-07 0.100000E-04    0.946419E+00
  71    0.667761E-06    0.106810E+03 -0.625188E-08 0.100000E-04    0.911050E+00
  72   -0.107269E-05    0.104477E+03  0.102672E-07 0.100000E-04    0.841515E+00
  73    0.919521E-07    0.102864E+03 -0.893923E-09 0.100000E-04    0.706324E+00
  74    0.820386E-07    0.995051E+02 -0.824466E-09 0.109000E-04    0.153454E-01
  75    0.217740E-06    0.960691E+02 -0.226649E-08 0.100000E-04    0.695181E+00
  76    0.113688E-06    0.940790E+02 -0.120844E-08 0.100000E-04    0.834931E+00
  77   -0.157165E-05    0.919256E+02  0.170969E-07 0.100000E-04    0.957286E+00
  78    0.725122E-06    0.912539E+02 -0.794620E-08 0.100000E-04    0.966741E+00
  79   -0.750477E-06    0.883648E+02  0.849294E-08 0.100000E-04    0.981287E+00
  80   -0.552346E-06    0.856407E+02  0.644957E-08 0.100000E-04    0.916678E+00
  81    0.125715E-05    0.808439E+02 -0.155503E-07 0.100000E-04    0.994688E+00
  82    0.113055E-05    0.805732E+02 -0.140313E-07 0.100000E-04    0.929063E+00
  83    0.229748E-06    0.779329E+02 -0.294802E-08 0.100000E-04    0.614968E+00
  84   -0.180689E-06    0.732627E+02  0.246632E-08 0.100000E-04    0.469702E+00
  85    0.189015E-05    0.724952E+02 -0.260728E-07 0.100000E-04    0.887435E+00
  86    0.427782E-06    0.678851E+02 -0.630155E-08 0.100000E-04    0.824925E+00
  87    0.697127E-06    0.647065E+02 -0.107737E-07 0.100000E-04    0.770660E+00
  88   -0.942043E-06    0.613026E+02  0.153671E-07 0.100000E-04    0.939780E+00
  89   -0.182528E-05    0.598084E+02  0.305189E-07 0.100000E-04    0.948192E+00
  90    0.225301E-05    0.594102E+02 -0.379229E-07 0.100000E-04    0.975414E+00
  91   -0.245571E-05    0.581323E+02  0.422435E-07 0.100000E-04    0.915846E+00
  92   -0.350993E-05    0.558501E+02  0.628456E-07 0.100000E-04    0.947335E+00
  93    0.321802E-05    0.524348E+02 -0.613718E-07 0.100000E-04    0.982683E+00
  94    0.652571E-06    0.519900E+02 -0.125519E-07 0.100000E-04    0.797796E+00
  95    0.185380E-05    0.503039E+02 -0.368521E-07 0.100000E-04    0.886390E+00
  96    0.104344E-05    0.461131E+02 -0.226278E-07 0.100000E-04    0.918453E+00
  97    0.264542E-05    0.434014E+02 -0.609525E-07 0.100000E-04    0.878695E+00
  98    0.400349E-06    0.409284E+02 -0.978168E-08 0.100000E-04    0.614111E+00
  99   -0.166784E-05    0.378633E+02  0.440489E-07 0.100000E-04    0.798912E+00
 100    0.141673E-05    0.361708E+02 -0.391677E-07 0.100000E-04    0.887495E+00
 101    0.102232E-04    0.322284E+02 -0.317210E-06 0.100000E-04    0.938711E+00
 102    0.116941E-07    0.289374E+02 -0.404117E-09 0.109000E-04    0.402455E-01
 103    0.238093E-05    0.284591E+02 -0.836615E-07 0.100000E-04    0.961193E+00
 104    0.990969E-06    0.263297E+02 -0.376369E-07 0.100000E-04    0.383976E+00
 105    0.598068E-05    0.233222E+02 -0.256438E-06 0.100000E-04    0.927346E+00
 106   -0.460634E-05    0.213532E+02  0.215722E-06 0.100000E-04    0.966365E+00
 107    0.200119E-04    0.198438E+02 -0.100847E-05 0.100000E-04    0.919476E+00
 108    0.222996E-04    0.164449E+02 -0.135602E-05 0.100000E-04    0.929331E+00
 109   -0.485316E-05    0.139151E+02  0.348770E-06 0.100000E-04    0.959318E+00
 110    0.832721E-05    0.122456E+02 -0.680015E-06 0.100000E-04    0.846127E+00
 111   -0.308824E-05    0.100834E+02  0.306271E-06 0.100000E-04    0.817561E+00
 112    0.286405E-01    0.922534E+01 -0.100000E-04 0.100000E-04    0.532750E+00
 113    0.105956E+00    0.576550E+01 -0.203262E-04 0.203262E-04    0.137201E+00
 114    0.914057E+00    0.313613E+01  0.100000E-04 0.100000E-04    0.788819E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2032618123E-04    0.2701837441    

 Beginning of optimization cycle  714.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987258785
 potential> RMS force:                                               0.0862256507   |gradient|=.9206380196    
 Eigenvalues of the Hessian matrix:
   747.08561    673.91402    631.00138    600.48136    586.31285    578.90376 
   564.47427    487.41423    460.47012    459.71466    441.60497    429.52110 
   421.83683    407.77061    396.27568    387.31541    370.08014    360.58586 
   349.26851    335.36687    329.39670    321.80301    319.19805    309.26972 
   300.75553    290.60802    279.15325    272.78529    268.56569    264.98803 
   263.89887    253.15273    241.61030    240.81235    234.09616    227.55386 
   217.21323    214.90683    213.23005    207.72896    202.95488    195.34680 
   194.88097    191.41154    183.03849    174.43639    172.36316    168.24548 
   163.18745    156.85053    154.96678    152.23586    146.60246    143.30453 
   138.14855    135.87268    130.26472    128.86199    126.92005    123.95391 
   120.03122    118.18139    116.79196    110.38904    106.80956    104.47693 
   102.86369     99.50499     96.06886     94.07881     91.92526     91.25408 
    88.36426     85.64102     80.84398     80.57381     77.93268     73.26248 
    72.49460     67.88484     64.70610     61.30223     59.80808     59.41033 
    58.13227     55.84987     52.43468     51.98959     50.30443     46.11266 
    43.40192     40.92854     37.86325     36.17046     32.22805     28.93778 
    28.45916     26.33003     23.32208     21.35341     19.84370     16.44479 
    13.91513     12.24564     10.08330      9.22681      5.76566      3.13581 
overlap for current and previous eigenvector    109 is         0.9999999889
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999441
overlap for current and previous eigenvector    112 is         0.9999999160
overlap for current and previous eigenvector    113 is         0.9999999432
overlap for current and previous eigenvector    114 is         0.9999999700
J1,K1,R1,R2,RAT=   7   7    0.4889077830E-02     1.995101195        0.9951011950    
FOB,PFOB,DIAG,PSTEP=   -0.1745428213E-06   -0.1754003716E-06     747.0856114        0.2347806222E-09
J1,K1,R1,R2,RAT=   8   8   -0.3913197481E-01     2.039135991        0.9608680252    
FOB,PFOB,DIAG,PSTEP=   -0.4065111576E-06   -0.3912026558E-06     673.9140234        0.5804922537E-09
J1,K1,R1,R2,RAT=   9   9   -0.4307341058E-01     2.043064571        0.9569265894    
FOB,PFOB,DIAG,PSTEP=   -0.7112504103E-06   -0.6818794088E-06     631.0013826        0.1080635386E-08
J1,K1,R1,R2,RAT=  10  10    -1.120011713         3.120018907        0.1200117125    
FOB,PFOB,DIAG,PSTEP=   -0.4259986658E-07   -0.2009420386E-07     600.4813591        0.3346337280E-10
J1,K1,R1,R2,RAT=  11  11    0.1349204503         1.865081121        0.8650795497    
FOB,PFOB,DIAG,PSTEP=   -0.6604063736E-08   -0.7634052764E-08     586.3128500        0.1302043229E-10
J1,K1,R1,R2,RAT= 109 109   -0.3699661511E-01     2.036988019        0.9630033849    
FOB,PFOB,DIAG,PSTEP=   -0.5032712223E-05   -0.4853160924E-05     13.91512736        0.3487702022E-06
J1,K1,R1,R2,RAT= 110 110   -0.1499912774         2.149987129        0.8500087226    
FOB,PFOB,DIAG,PSTEP=    0.9576218986E-05    0.8327207852E-05     12.24564435       -0.6800152683E-06
J1,K1,R1,R2,RAT= 111 111   -0.2231694908         2.223180017        0.7768305092    
FOB,PFOB,DIAG,PSTEP=   -0.3777432009E-05   -0.3088235658E-05     10.08329863        0.3062707470E-06
J1,K1,R1,R2,RAT= 112 112    0.4409238769         620.3705182        0.5590761231    
FOB,PFOB,DIAG,PSTEP=    0.2859986528E-01    0.2864054849E-01     9.226810769       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8044511470         1809.027171        0.1955488530    
FOB,PFOB,DIAG,PSTEP=    0.1060505200        0.1059562433         5.765657400       -0.2032618123E-04
J1,K1,R1,R2,RAT= 114 114    0.1667296780        -58298.16060        0.8332703220    
FOB,PFOB,DIAG,PSTEP=    0.9140621952        0.9140569668         3.135809335        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00001      0.00000 
     0.00000      0.00000      0.00001     -0.00000      0.00002      0.00002 
    -0.00001      0.00001     -0.00000      0.02860      0.10605      0.91406 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3801049245
 Log product of positive Hessian eigenvalues =          519.0791125350
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1358093349
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000041
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000063
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=        0.0000000012
 Unscaled step for mode   55=        0.0000000047
 Unscaled step for mode   56=        0.0000000085
 Unscaled step for mode   57=       -0.0000000023
 Unscaled step for mode   58=        0.0000000059
 Unscaled step for mode   59=       -0.0000000040
 Unscaled step for mode   60=        0.0000000014
 Unscaled step for mode   61=        0.0000000065
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=        0.0000000162
 Unscaled step for mode   64=       -0.0000000015
 Unscaled step for mode   65=       -0.0000000099
 Unscaled step for mode   66=        0.0000000057
 Unscaled step for mode   67=       -0.0000000153
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000003
 Unscaled step for mode   70=       -0.0000000118
 Unscaled step for mode   71=       -0.0000000068
 Unscaled step for mode   72=        0.0000000091
 Unscaled step for mode   73=       -0.0000000012
 Unscaled step for mode   74=       -0.0000000005
 Unscaled step for mode   75=       -0.0000000011
 Unscaled step for mode   76=       -0.0000000014
 Unscaled step for mode   77=       -0.0000000165
 Unscaled step for mode   78=        0.0000000081
 Unscaled step for mode   79=        0.0000000086
 Unscaled step for mode   80=        0.0000000069
 Unscaled step for mode   81=       -0.0000000156
 Unscaled step for mode   82=       -0.0000000149
 Unscaled step for mode   83=       -0.0000000023
 Unscaled step for mode   84=        0.0000000048
 Unscaled step for mode   85=       -0.0000000289
 Unscaled step for mode   86=       -0.0000000074
 Unscaled step for mode   87=       -0.0000000134
 Unscaled step for mode   88=        0.0000000145
 Unscaled step for mode   89=        0.0000000319
 Unscaled step for mode   90=       -0.0000000386
 Unscaled step for mode   91=        0.0000000451
 Unscaled step for mode   92=        0.0000000655
 Unscaled step for mode   93=       -0.0000000620
 Unscaled step for mode   94=       -0.0000000107
 Unscaled step for mode   95=       -0.0000000409
 Unscaled step for mode   96=       -0.0000000240
 Unscaled step for mode   97=       -0.0000000678
 Unscaled step for mode   98=       -0.0000000151
 Unscaled step for mode   99=        0.0000000533
 Unscaled step for mode  100=       -0.0000000432
 Unscaled step for mode  101=       -0.0000003330
 Unscaled step for mode  102=       -0.0000000081
 Unscaled step for mode  103=       -0.0000000865
 Unscaled step for mode  104=       -0.0000000267
 Unscaled step for mode  105=       -0.0000002723
 Unscaled step for mode  106=        0.0000002214
 Unscaled step for mode  107=       -0.0000010783
 Unscaled step for mode  108=       -0.0000014375
 Unscaled step for mode  109=        0.0000003617
 Unscaled step for mode  110=       -0.0000007820
 Unscaled step for mode  111=        0.0000003746
 Unscaled step for mode  112=       -0.0030996182
 Unscaled step for mode  113=       -0.0183872641
 Unscaled step for mode  114=        0.2702089878
 Largest modulus ratio of non-zero e/values=           238.2433151    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.110263E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.221806E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.125334E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.274349E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.127090E-14    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.378853E-14    0.974331E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.174543E-06    0.747086E+03  0.233632E-09 0.100000E-04    0.995101E+00
   8   -0.406511E-06    0.673914E+03  0.603209E-09 0.100000E-04    0.960868E+00
   9   -0.711250E-06    0.631001E+03  0.112718E-08 0.100000E-04    0.956927E+00
  10   -0.425999E-07    0.600481E+03  0.709429E-10 0.109000E-04    0.120012E+00
  11   -0.660406E-08    0.586313E+03  0.112637E-10 0.100000E-04    0.865080E+00
  12   -0.101963E-05    0.578904E+03  0.176132E-08 0.100000E-04    0.953361E+00
  13    0.448071E-07    0.564474E+03 -0.793784E-10 0.100000E-04    0.922630E+00
  14    0.424084E-06    0.487414E+03 -0.870070E-09 0.100000E-04    0.940290E+00
  15   -0.437436E-06    0.460470E+03  0.949976E-09 0.100000E-04    0.949626E+00
  16   -0.133668E-06    0.459715E+03  0.290762E-09 0.100000E-04    0.810690E+00
  17   -0.614401E-06    0.441605E+03  0.139129E-08 0.100000E-04    0.919480E+00
  18   -0.399303E-06    0.429521E+03  0.929647E-09 0.100000E-04    0.943354E+00
  19   -0.141412E-06    0.421837E+03  0.335229E-09 0.100000E-04    0.815702E+00
  20   -0.361905E-06    0.407771E+03  0.887521E-09 0.100000E-04    0.934766E+00
  21   -0.423703E-06    0.396276E+03  0.106921E-08 0.100000E-04    0.929904E+00
  22   -0.614352E-06    0.387315E+03  0.158618E-08 0.100000E-04    0.997700E+00
  23    0.793972E-06    0.370080E+03 -0.214541E-08 0.100000E-04    0.933946E+00
  24   -0.416399E-06    0.360586E+03  0.115478E-08 0.100000E-04    0.986848E+00
  25   -0.747046E-07    0.349269E+03  0.213889E-09 0.100000E-04    0.698908E+00
  26   -0.258703E-07    0.335367E+03  0.771404E-10 0.100000E-04    0.357335E+00
  27    0.379834E-06    0.329397E+03 -0.115312E-08 0.100000E-04    0.902498E+00
  28   -0.399239E-06    0.321803E+03  0.124063E-08 0.100000E-04    0.907665E+00
  29   -0.105490E-06    0.319198E+03  0.330483E-09 0.109000E-04    0.148423E+00
  30   -0.135532E-05    0.309270E+03  0.438233E-08 0.100000E-04    0.970989E+00
  31   -0.104648E-05    0.300756E+03  0.347949E-08 0.100000E-04    0.964735E+00
  32   -0.123720E-05    0.290608E+03  0.425728E-08 0.100000E-04    0.977151E+00
  33   -0.495615E-07    0.279153E+03  0.177542E-09 0.100000E-04    0.392732E+01
  34   -0.198281E-07    0.272785E+03  0.726875E-10 0.100000E-04    0.318723E+00
  35    0.992111E-06    0.268566E+03 -0.369411E-08 0.100000E-04    0.978435E+00
  36    0.120494E-05    0.264988E+03 -0.454716E-08 0.100000E-04    0.990088E+00
  37   -0.513797E-06    0.263899E+03  0.194695E-08 0.100000E-04    0.907157E+00
  38   -0.124268E-06    0.253153E+03  0.490882E-09 0.100000E-04    0.967777E+00
  39   -0.441644E-06    0.241610E+03  0.182792E-08 0.100000E-04    0.930413E+00
  40   -0.117852E-05    0.240812E+03  0.489393E-08 0.100000E-04    0.991455E+00
  41   -0.953294E-06    0.234096E+03  0.407223E-08 0.100000E-04    0.990188E+00
  42   -0.166029E-05    0.227554E+03  0.729627E-08 0.100000E-04    0.973831E+00
  43    0.173008E-07    0.217213E+03 -0.796491E-10 0.100000E-04    0.996798E+00
  44   -0.189558E-05    0.214907E+03  0.882047E-08 0.100000E-04    0.976253E+00
  45    0.710695E-06    0.213230E+03 -0.333300E-08 0.100000E-04    0.982076E+00
  46    0.105188E-05    0.207729E+03 -0.506373E-08 0.100000E-04    0.987658E+00
  47   -0.724835E-06    0.202955E+03  0.357141E-08 0.100000E-04    0.972767E+00
  48   -0.121308E-05    0.195347E+03  0.620990E-08 0.100000E-04    0.939098E+00
  49    0.975828E-06    0.194881E+03 -0.500730E-08 0.100000E-04    0.955265E+00
  50    0.120932E-05    0.191412E+03 -0.631790E-08 0.100000E-04    0.883919E+00
  51    0.223179E-06    0.183038E+03 -0.121930E-08 0.100000E-04    0.869959E+00
  52   -0.613704E-06    0.174436E+03  0.351821E-08 0.100000E-04    0.940437E+00
  53   -0.157844E-06    0.172363E+03  0.915767E-09 0.100000E-04    0.901054E+00
  54   -0.206463E-06    0.168245E+03  0.122715E-08 0.100000E-04    0.944851E+00
  55   -0.770933E-06    0.163187E+03  0.472422E-08 0.100000E-04    0.985758E+00
  56   -0.133737E-05    0.156851E+03  0.852638E-08 0.100000E-04    0.979518E+00
  57    0.362635E-06    0.154967E+03 -0.234008E-08 0.100000E-04    0.827449E+00
  58   -0.896805E-06    0.152236E+03  0.589089E-08 0.100000E-04    0.994269E+00
  59    0.591983E-06    0.146602E+03 -0.403801E-08 0.100000E-04    0.994032E+00
  60   -0.195008E-06    0.143305E+03  0.136080E-08 0.100000E-04    0.664339E+00
  61   -0.896093E-06    0.138149E+03  0.648645E-08 0.100000E-04    0.805501E+00
  62   -0.927215E-06    0.135873E+03  0.682414E-08 0.100000E-04    0.977393E+00
  63   -0.211396E-05    0.130265E+03  0.162282E-07 0.100000E-04    0.928032E+00
  64    0.191075E-06    0.128862E+03 -0.148279E-08 0.109000E-04    0.111218E+00
  65    0.125886E-05    0.126920E+03 -0.991852E-08 0.100000E-04    0.889590E+00
  66   -0.710323E-06    0.123954E+03  0.573054E-08 0.100000E-04    0.894589E+00
  67    0.183489E-05    0.120031E+03 -0.152868E-07 0.100000E-04    0.969538E+00
  68    0.443165E-06    0.118181E+03 -0.374987E-08 0.100000E-04    0.941605E+00
  69   -0.335180E-07    0.116792E+03  0.286989E-09 0.109000E-04    0.193611E+00
  70    0.130050E-05    0.110389E+03 -0.117810E-07 0.100000E-04    0.954366E+00
  71    0.721524E-06    0.106810E+03 -0.675524E-08 0.100000E-04    0.919487E+00
  72   -0.952024E-06    0.104477E+03  0.911229E-08 0.100000E-04    0.887510E+00
  73    0.122755E-06    0.102864E+03 -0.119337E-08 0.100000E-04    0.665014E+00
  74    0.462399E-07    0.995050E+02 -0.464700E-09 0.100000E-04    0.563636E+00
  75    0.102103E-06    0.960689E+02 -0.106281E-08 0.100000E-04    0.468920E+00
  76    0.130714E-06    0.940788E+02 -0.138941E-08 0.100000E-04    0.850243E+00
  77    0.151593E-05    0.919253E+02 -0.164909E-07 0.100000E-04    0.964548E+00
  78   -0.742024E-06    0.912541E+02  0.813141E-08 0.100000E-04    0.976691E+00
  79   -0.759381E-06    0.883643E+02  0.859376E-08 0.100000E-04    0.988135E+00
  80   -0.594979E-06    0.856410E+02  0.694736E-08 0.100000E-04    0.922814E+00
  81    0.125987E-05    0.808440E+02 -0.155839E-07 0.100000E-04    0.997838E+00
  82    0.120046E-05    0.805738E+02 -0.148989E-07 0.100000E-04    0.938162E+00
  83    0.176231E-06    0.779327E+02 -0.226132E-08 0.100000E-04    0.767061E+00
  84   -0.348455E-06    0.732625E+02  0.475625E-08 0.109000E-04    0.715224E-01
  85    0.209268E-05    0.724946E+02 -0.288667E-07 0.100000E-04    0.892848E+00
  86    0.501027E-06    0.678848E+02 -0.738055E-08 0.100000E-04    0.828778E+00
  87    0.863919E-06    0.647061E+02 -0.133514E-07 0.100000E-04    0.760742E+00
  88   -0.891369E-06    0.613022E+02  0.145406E-07 0.100000E-04    0.946208E+00
  89   -0.190843E-05    0.598081E+02  0.319092E-07 0.100000E-04    0.954448E+00
  90    0.229510E-05    0.594103E+02 -0.386313E-07 0.100000E-04    0.981320E+00
  91   -0.262118E-05    0.581323E+02  0.450900E-07 0.100000E-04    0.932618E+00
  92   -0.366011E-05    0.558499E+02  0.655348E-07 0.100000E-04    0.957213E+00
  93    0.325342E-05    0.524347E+02 -0.620472E-07 0.100000E-04    0.988997E+00
  94    0.554714E-06    0.519896E+02 -0.106697E-07 0.100000E-04    0.850044E+00
  95    0.205781E-05    0.503044E+02 -0.409072E-07 0.100000E-04    0.889952E+00
  96    0.110716E-05    0.461127E+02 -0.240098E-07 0.100000E-04    0.938931E+00
  97    0.294287E-05    0.434019E+02 -0.678051E-07 0.100000E-04    0.887562E+00
  98    0.616956E-06    0.409285E+02 -0.150740E-07 0.100000E-04    0.458954E+00
  99   -0.201779E-05    0.378632E+02  0.532916E-07 0.100000E-04    0.790173E+00
 100    0.156369E-05    0.361705E+02 -0.432311E-07 0.100000E-04    0.896265E+00
 101    0.107303E-04    0.322280E+02 -0.332951E-06 0.100000E-04    0.950389E+00
 102    0.234543E-06    0.289378E+02 -0.810509E-08 0.100000E-04    0.180563E+02
 103    0.246240E-05    0.284592E+02 -0.865238E-07 0.100000E-04    0.965785E+00
 104    0.703360E-06    0.263300E+02 -0.267132E-07 0.100000E-04    0.709751E+00
 105    0.635089E-05    0.233221E+02 -0.272312E-06 0.100000E-04    0.938098E+00
 106   -0.472688E-05    0.213534E+02  0.221364E-06 0.100000E-04    0.973834E+00
 107    0.213977E-04    0.198437E+02 -0.107831E-05 0.100000E-04    0.930752E+00
 108    0.236386E-04    0.164448E+02 -0.143745E-05 0.100000E-04    0.939954E+00
 109   -0.503271E-05    0.139151E+02  0.361672E-06 0.100000E-04    0.963003E+00
 110    0.957622E-05    0.122456E+02 -0.782010E-06 0.100000E-04    0.850009E+00
 111   -0.377743E-05    0.100833E+02  0.374623E-06 0.100000E-04    0.776831E+00
 112    0.285999E-01    0.922681E+01 -0.100000E-04 0.100000E-04    0.559076E+00
 113    0.106051E+00    0.576566E+01 -0.221555E-04 0.221555E-04    0.195549E+00
 114    0.914062E+00    0.313581E+01  0.100000E-04 0.100000E-04    0.833270E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2215553754E-04    0.2702089878    

 Beginning of optimization cycle  715.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987193715
 potential> RMS force:                                               0.0862269202   |gradient|=.9206515742    
 Eigenvalues of the Hessian matrix:
   747.08938    673.91252    631.00429    600.47920    586.31233    578.90379 
   564.47003    487.41375    460.46886    459.71414    441.60441    429.52251 
   421.83618    407.76897    396.27509    387.31401    370.08059    360.58605 
   349.26788    335.36755    329.39757    321.80269    319.19885    309.26856 
   300.75503    290.60810    279.15481    272.78578    268.56603    264.98835 
   263.89947    253.15220    241.61078    240.81263    234.09699    227.55424 
   217.21407    214.90695    213.22976    207.72947    202.95447    195.34601 
   194.88138    191.41199    183.03929    174.43716    172.36342    168.24579 
   163.18713    156.85032    154.96731    152.23567    146.60188    143.30409 
   138.14909    135.87267    130.26445    128.86220    126.92024    123.95275 
   120.03141    118.18150    116.79150    110.38930    106.80940    104.47712 
   102.86377     99.50491     96.06864     94.07855     91.92488     91.25430 
    88.36374     85.64132     80.84408     80.57450     77.93244     73.26223 
    72.49398     67.88448     64.70566     61.30183     59.80777     59.41039 
    58.13223     55.84961     52.43456     51.98920     50.30503     46.11222 
    43.40251     40.92864     37.86318     36.17003     32.22767     28.93811 
    28.45923     26.33035     23.32199     21.35365     19.84362     16.44468 
    13.91519     12.24567     10.08325      9.22836      5.76583      3.13548 
overlap for current and previous eigenvector    109 is         0.9999999876
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is        -0.9999999354
overlap for current and previous eigenvector    112 is        -0.9999999046
overlap for current and previous eigenvector    113 is         0.9999999364
overlap for current and previous eigenvector    114 is         0.9999999656
J1,K1,R1,R2,RAT=   7   7    0.3726381884E-01     1.962726100        0.9627261005    
FOB,PFOB,DIAG,PSTEP=   -0.1680386565E-06   -0.1745428213E-06     747.0893770        0.2336316196E-09
J1,K1,R1,R2,RAT=   8   8   -0.4126277355E-01     2.041267227        0.9587372264    
FOB,PFOB,DIAG,PSTEP=   -0.4232848981E-06   -0.4065111576E-06     673.9125230        0.6032092276E-09
J1,K1,R1,R2,RAT=   9   9   -0.4773735789E-01     2.047728153        0.9522626421    
FOB,PFOB,DIAG,PSTEP=   -0.7452037820E-06   -0.7112504103E-06     631.0042868        0.1127177261E-08
J1,K1,R1,R2,RAT=  10  10   -0.5266899106         2.526697116        0.4733100894    
FOB,PFOB,DIAG,PSTEP=   -0.6503670566E-07   -0.4259986658E-07     600.4791956        0.7094286265E-10
J1,K1,R1,R2,RAT=  11  11    0.7416849922         1.258316774        0.2583150078    
FOB,PFOB,DIAG,PSTEP=   -0.1705933101E-08   -0.6604063736E-08     586.3123323        0.1126371993E-10
J1,K1,R1,R2,RAT= 109 109   -0.1483522460E-01     2.014826744        0.9851647754    
FOB,PFOB,DIAG,PSTEP=   -0.5107373955E-05   -0.5032712223E-05     13.91518636        0.3616720201E-06
J1,K1,R1,R2,RAT= 110 110   -0.1438919882         2.143888434        0.8561080118    
FOB,PFOB,DIAG,PSTEP=    0.1095416262E-04    0.9576218986E-05     12.24566611       -0.7820102164E-06
J1,K1,R1,R2,RAT= 111 111     2.098213979       -0.9820342010E-01    0.9017965799    
FOB,PFOB,DIAG,PSTEP=    0.4148386794E-05   -0.3777432009E-05     10.08324540        0.3746226456E-06
J1,K1,R1,R2,RAT= 112 112     619.4132796        0.4122071840        0.5877928160    
FOB,PFOB,DIAG,PSTEP=   -0.2856182532E-01    0.2859986528E-01     9.228360528       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7747171769         1661.120924        0.2252828231    
FOB,PFOB,DIAG,PSTEP=    0.1061494863        0.1060505200         5.765830251       -0.2215553754E-04
J1,K1,R1,R2,RAT= 114 114    0.1069679890        -58304.62035        0.8930320110    
FOB,PFOB,DIAG,PSTEP=    0.9140655491        0.9140621952         3.135476628        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00000     -0.00002     -0.00003 
    -0.00001      0.00001      0.00000     -0.02856      0.10615      0.91407 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3800848383
 Log product of positive Hessian eigenvalues =          519.0791741587
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1354766284
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000001
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000006
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000004
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000040
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000067
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000070
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000047
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=       -0.0000000027
 Unscaled step for mode   58=       -0.0000000059
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=        0.0000000017
 Unscaled step for mode   61=       -0.0000000076
 Unscaled step for mode   62=        0.0000000071
 Unscaled step for mode   63=        0.0000000176
 Unscaled step for mode   64=       -0.0000000024
 Unscaled step for mode   65=       -0.0000000109
 Unscaled step for mode   66=       -0.0000000063
 Unscaled step for mode   67=        0.0000000159
 Unscaled step for mode   68=       -0.0000000040
 Unscaled step for mode   69=        0.0000000006
 Unscaled step for mode   70=       -0.0000000124
 Unscaled step for mode   71=       -0.0000000073
 Unscaled step for mode   72=        0.0000000078
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000002
 Unscaled step for mode   75=        0.0000000002
 Unscaled step for mode   76=       -0.0000000016
 Unscaled step for mode   77=       -0.0000000159
 Unscaled step for mode   78=       -0.0000000085
 Unscaled step for mode   79=        0.0000000090
 Unscaled step for mode   80=        0.0000000075
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=       -0.0000000158
 Unscaled step for mode   83=       -0.0000000015
 Unscaled step for mode   84=        0.0000000073
 Unscaled step for mode   85=       -0.0000000316
 Unscaled step for mode   86=       -0.0000000086
 Unscaled step for mode   87=       -0.0000000165
 Unscaled step for mode   88=        0.0000000137
 Unscaled step for mode   89=        0.0000000330
 Unscaled step for mode   90=       -0.0000000401
 Unscaled step for mode   91=        0.0000000498
 Unscaled step for mode   92=        0.0000000697
 Unscaled step for mode   93=       -0.0000000640
 Unscaled step for mode   94=       -0.0000000092
 Unscaled step for mode   95=       -0.0000000445
 Unscaled step for mode   96=       -0.0000000268
 Unscaled step for mode   97=       -0.0000000753
 Unscaled step for mode   98=       -0.0000000197
 Unscaled step for mode   99=        0.0000000628
 Unscaled step for mode  100=        0.0000000478
 Unscaled step for mode  101=        0.0000003574
 Unscaled step for mode  102=        0.0000000184
 Unscaled step for mode  103=       -0.0000000887
 Unscaled step for mode  104=        0.0000000065
 Unscaled step for mode  105=        0.0000002945
 Unscaled step for mode  106=       -0.0000002280
 Unscaled step for mode  107=        0.0000011731
 Unscaled step for mode  108=        0.0000015474
 Unscaled step for mode  109=        0.0000003670
 Unscaled step for mode  110=       -0.0000008945
 Unscaled step for mode  111=       -0.0000004114
 Unscaled step for mode  112=        0.0030949757
 Unscaled step for mode  113=       -0.0184038601
 Unscaled step for mode  114=        0.2702346139
 Largest modulus ratio of non-zero e/values=           238.2697961    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.554569E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.245962E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.596833E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4   -0.461328E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.520851E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.416117E-14    0.974331E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.168039E-06    0.747089E+03  0.224924E-09 0.100000E-04    0.962726E+00
   8   -0.423285E-06    0.673913E+03  0.628101E-09 0.100000E-04    0.958737E+00
   9   -0.745204E-06    0.631004E+03  0.118098E-08 0.100000E-04    0.952263E+00
  10   -0.650367E-07    0.600479E+03  0.108308E-09 0.100000E-04    0.473310E+00
  11   -0.170593E-08    0.586312E+03  0.290960E-11 0.100000E-04    0.258315E+00
  12   -0.106654E-05    0.578904E+03  0.184235E-08 0.100000E-04    0.953995E+00
  13    0.418559E-07    0.564470E+03 -0.741509E-10 0.100000E-04    0.934137E+00
  14    0.443025E-06    0.487414E+03 -0.908929E-09 0.100000E-04    0.955339E+00
  15   -0.462885E-06    0.460469E+03  0.100525E-08 0.100000E-04    0.941821E+00
  16   -0.158622E-06    0.459714E+03  0.345044E-09 0.100000E-04    0.813315E+00
  17   -0.664707E-06    0.441604E+03  0.150521E-08 0.100000E-04    0.918121E+00
  18   -0.425280E-06    0.429523E+03  0.990123E-09 0.100000E-04    0.934944E+00
  19   -0.109660E-06    0.421836E+03  0.259960E-09 0.100000E-04    0.775468E+00
  20   -0.385957E-06    0.407769E+03  0.946510E-09 0.100000E-04    0.933539E+00
  21   -0.454017E-06    0.396275E+03  0.114571E-08 0.100000E-04    0.928455E+00
  22   -0.621384E-06    0.387314E+03  0.160434E-08 0.100000E-04    0.988554E+00
  23    0.844473E-06    0.370081E+03 -0.228186E-08 0.100000E-04    0.936394E+00
  24   -0.424031E-06    0.360586E+03  0.117595E-08 0.100000E-04    0.981672E+00
  25   -0.446993E-07    0.349268E+03  0.127980E-09 0.100000E-04    0.598347E+00
  26    0.344937E-07    0.335368E+03 -0.102854E-09 0.100000E-04    0.666669E+00
  27    0.424715E-06    0.329398E+03 -0.128937E-08 0.100000E-04    0.881841E+00
  28   -0.445406E-06    0.321803E+03  0.138410E-08 0.100000E-04    0.884364E+00
  29   -0.191789E-06    0.319199E+03  0.600844E-09 0.118810E-04    0.181920E+00
  30   -0.142461E-05    0.309269E+03  0.460637E-08 0.100000E-04    0.948881E+00
  31   -0.109052E-05    0.300755E+03  0.362595E-08 0.100000E-04    0.957910E+00
  32   -0.128022E-05    0.290608E+03  0.440531E-08 0.100000E-04    0.965228E+00
  33   -0.997423E-07    0.279155E+03  0.357301E-09 0.109000E-04    0.124879E-01
  34    0.370218E-07    0.272786E+03 -0.135718E-09 0.109000E-04    0.132861E+00
  35    0.102718E-05    0.268566E+03 -0.382469E-08 0.100000E-04    0.964651E+00
  36    0.121739E-05    0.264988E+03 -0.459413E-08 0.100000E-04    0.989670E+00
  37   -0.560119E-06    0.263899E+03  0.212247E-08 0.100000E-04    0.909845E+00
  38   -0.120381E-06    0.253152E+03  0.475529E-09 0.100000E-04    0.968721E+00
  39   -0.400074E-06    0.241611E+03  0.165586E-08 0.100000E-04    0.905869E+00
  40   -0.118802E-05    0.240813E+03  0.493339E-08 0.100000E-04    0.991936E+00
  41   -0.934175E-06    0.234097E+03  0.399055E-08 0.100000E-04    0.979937E+00
  42   -0.173271E-05    0.227554E+03  0.761451E-08 0.100000E-04    0.956381E+00
  43    0.126277E-07    0.217214E+03 -0.581346E-10 0.100000E-04    0.729881E+00
  44   -0.194421E-05    0.214907E+03  0.904676E-08 0.100000E-04    0.974344E+00
  45    0.711735E-06    0.213230E+03 -0.333788E-08 0.100000E-04    0.998536E+00
  46    0.105360E-05    0.207729E+03 -0.507200E-08 0.100000E-04    0.998363E+00
  47   -0.738576E-06    0.202954E+03  0.363912E-08 0.100000E-04    0.981043E+00
  48   -0.131502E-05    0.195346E+03  0.673175E-08 0.100000E-04    0.915970E+00
  49    0.101734E-05    0.194881E+03 -0.522029E-08 0.100000E-04    0.957461E+00
  50    0.134829E-05    0.191412E+03 -0.704392E-08 0.100000E-04    0.885082E+00
  51    0.255174E-06    0.183039E+03 -0.139409E-08 0.100000E-04    0.856640E+00
  52   -0.664597E-06    0.174437E+03  0.380995E-08 0.100000E-04    0.917073E+00
  53   -0.139695E-06    0.172363E+03  0.810467E-09 0.100000E-04    0.885013E+00
  54    0.193845E-06    0.168246E+03 -0.115215E-08 0.100000E-04    0.938884E+00
  55    0.773667E-06    0.163187E+03 -0.474098E-08 0.100000E-04    0.996455E+00
  56    0.136905E-05    0.156850E+03 -0.872839E-08 0.100000E-04    0.976309E+00
  57    0.411060E-06    0.154967E+03 -0.265256E-08 0.100000E-04    0.866466E+00
  58    0.904690E-06    0.152236E+03 -0.594269E-08 0.100000E-04    0.991208E+00
  59   -0.594874E-06    0.146602E+03  0.405775E-08 0.100000E-04    0.995117E+00
  60   -0.240725E-06    0.143304E+03  0.167982E-08 0.100000E-04    0.765563E+00
  61    0.104831E-05    0.138149E+03 -0.758828E-08 0.100000E-04    0.830129E+00
  62   -0.964828E-06    0.135873E+03  0.710097E-08 0.100000E-04    0.959434E+00
  63   -0.229504E-05    0.130264E+03  0.176183E-07 0.100000E-04    0.914342E+00
  64    0.309844E-06    0.128862E+03 -0.240446E-08 0.100000E-04    0.378415E+00
  65    0.138139E-05    0.126920E+03 -0.108839E-07 0.100000E-04    0.902668E+00
  66    0.778063E-06    0.123953E+03 -0.627709E-08 0.100000E-04    0.904634E+00
  67   -0.190329E-05    0.120031E+03  0.158566E-07 0.100000E-04    0.962722E+00
  68    0.469454E-06    0.118182E+03 -0.397232E-08 0.100000E-04    0.940679E+00
  69   -0.645080E-07    0.116791E+03  0.552335E-09 0.118810E-04    0.754167E-01
  70    0.136415E-05    0.110389E+03 -0.123576E-07 0.100000E-04    0.951057E+00
  71    0.783408E-06    0.106809E+03 -0.733464E-08 0.100000E-04    0.914231E+00
  72   -0.811875E-06    0.104477E+03  0.777084E-08 0.100000E-04    0.852785E+00
  73    0.156878E-06    0.102864E+03 -0.152510E-08 0.100000E-04    0.722023E+00
  74    0.167278E-07    0.995049E+02 -0.168110E-09 0.100000E-04    0.361760E+00
  75   -0.190997E-07    0.960686E+02  0.198813E-09 0.109000E-04    0.187062E+00
  76    0.149343E-06    0.940786E+02 -0.158743E-08 0.100000E-04    0.857481E+00
  77    0.146342E-05    0.919249E+02 -0.159197E-07 0.100000E-04    0.965361E+00
  78    0.774057E-06    0.912543E+02 -0.848242E-08 0.100000E-04    0.956830E+00
  79   -0.791723E-06    0.883637E+02  0.895982E-08 0.100000E-04    0.957410E+00
  80   -0.642729E-06    0.856413E+02  0.750489E-08 0.100000E-04    0.919746E+00
  81    0.127662E-05    0.808441E+02 -0.157912E-07 0.100000E-04    0.986699E+00
  82    0.127566E-05    0.805745E+02 -0.158321E-07 0.100000E-04    0.937356E+00
  83    0.113913E-06    0.779324E+02 -0.146169E-08 0.100000E-04    0.646383E+00
  84   -0.534149E-06    0.732622E+02  0.729092E-08 0.100000E-04    0.467090E+00
  85    0.228807E-05    0.724940E+02 -0.315622E-07 0.100000E-04    0.906633E+00
  86    0.586440E-06    0.678845E+02 -0.863879E-08 0.100000E-04    0.829524E+00
  87    0.106613E-05    0.647057E+02 -0.164766E-07 0.100000E-04    0.765939E+00
  88   -0.837570E-06    0.613018E+02  0.136631E-07 0.100000E-04    0.939644E+00
  89   -0.197392E-05    0.598078E+02  0.330043E-07 0.100000E-04    0.965685E+00
  90    0.238444E-05    0.594104E+02 -0.401351E-07 0.100000E-04    0.961072E+00
  91   -0.289459E-05    0.581322E+02  0.497933E-07 0.100000E-04    0.895691E+00
  92   -0.389428E-05    0.558496E+02  0.697280E-07 0.100000E-04    0.936021E+00
  93    0.335384E-05    0.524346E+02 -0.639624E-07 0.100000E-04    0.969135E+00
  94    0.480817E-06    0.519892E+02 -0.924840E-08 0.100000E-04    0.866781E+00
  95    0.224013E-05    0.503050E+02 -0.445309E-07 0.100000E-04    0.911404E+00
  96    0.123703E-05    0.461122E+02 -0.268265E-07 0.100000E-04    0.882696E+00
  97    0.326921E-05    0.434025E+02 -0.753231E-07 0.100000E-04    0.889110E+00
  98    0.807710E-06    0.409286E+02 -0.197346E-07 0.100000E-04    0.690817E+00
  99   -0.237661E-05    0.378632E+02  0.627685E-07 0.100000E-04    0.822170E+00
 100   -0.172917E-05    0.361700E+02  0.478068E-07 0.100000E-04    0.894169E+00
 101   -0.115187E-04    0.322277E+02  0.357416E-06 0.100000E-04    0.926530E+00
 102   -0.533116E-06    0.289381E+02  0.184226E-07 0.100000E-04    0.272982E+00
 103    0.252326E-05    0.284592E+02 -0.886621E-07 0.100000E-04    0.975284E+00
 104   -0.170467E-06    0.263303E+02  0.647416E-08 0.100000E-04    0.242346E+00
 105   -0.686860E-05    0.233220E+02  0.294512E-06 0.100000E-04    0.918482E+00
 106    0.486767E-05    0.213536E+02 -0.227955E-06 0.100000E-04    0.970216E+00
 107   -0.232778E-04    0.198436E+02  0.117306E-05 0.100000E-04    0.912137E+00
 108   -0.254462E-04    0.164447E+02  0.154738E-05 0.100000E-04    0.923531E+00
 109   -0.510737E-05    0.139152E+02  0.367036E-06 0.100000E-04    0.985165E+00
 110    0.109542E-04    0.122457E+02 -0.894534E-06 0.100000E-04    0.856108E+00
 111    0.414839E-05    0.100832E+02 -0.411414E-06 0.100000E-04    0.901797E+00
 112   -0.285618E-01    0.922836E+01  0.100000E-04 0.100000E-04    0.587793E+00
 113    0.106149E+00    0.576583E+01 -0.199599E-04 0.199599E-04    0.225283E+00
 114    0.914066E+00    0.313548E+01  0.100000E-04 0.100000E-04    0.893032E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1995994373E-04    0.2702346139    

 Beginning of optimization cycle  716.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987126335
 potential> RMS force:                                               0.0862283250   |gradient|=.9206665738    
 Eigenvalues of the Hessian matrix:
   747.09304    673.91126    631.00708    600.47700    586.31189    578.90382 
   564.46608    487.41339    460.46765    459.71362    441.60392    429.52373 
   421.83556    407.76743    396.27454    387.31266    370.08102    360.58620 
   349.26719    335.36819    329.39837    321.80244    319.19950    309.26745 
   300.75447    290.60816    279.15623    272.78623    268.56629    264.98865 
   263.89998    253.15162    241.61116    240.81291    234.09774    227.55455 
   217.21481    214.90708    213.22948    207.72995    202.95408    195.34524 
   194.88173    191.41243    183.04001    174.43787    172.36366    168.24606 
   163.18683    156.85011    154.96781    152.23550    146.60133    143.30371 
   138.14959    135.87266    130.26423    128.86239    126.92044    123.95166 
   120.03160    118.18163    116.79109    110.38953    106.80927    104.47732 
   102.86385     99.50485     96.06845     94.07833     91.92448     91.25450 
    88.36324     85.64161     80.84417     80.57514     77.93222     73.26204 
    72.49342     67.88418     64.70524     61.30143     59.80748     59.41047 
    58.13220     55.84939     52.43446     51.98884     50.30559     46.11182 
    43.40306     40.92875     37.86314     36.16970     32.22732     28.93844 
    28.45929     26.33064     23.32188     21.35390     19.84353     16.44459 
    13.91524     12.24569     10.08319      9.22981      5.76598      3.13516 
overlap for current and previous eigenvector    109 is         0.9999999893
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is         0.9999999454
overlap for current and previous eigenvector    112 is         0.9999999182
overlap for current and previous eigenvector    113 is         0.9999999439
overlap for current and previous eigenvector    114 is         0.9999999700
J1,K1,R1,R2,RAT=   7   7   -0.1175301891E-01     2.011743217        0.9882469811    
FOB,PFOB,DIAG,PSTEP=   -0.1700136277E-06   -0.1680386565E-06     747.0930384        0.2249244356E-09
J1,K1,R1,R2,RAT=   8   8    0.4705686325E-01     1.952946893        0.9529431368    
FOB,PFOB,DIAG,PSTEP=   -0.4033664759E-06   -0.4232848981E-06     673.9112572        0.6281006565E-09
J1,K1,R1,R2,RAT=   9   9    0.5273379014E-01     1.947257354        0.9472573542    
FOB,PFOB,DIAG,PSTEP=   -0.7059061881E-06   -0.7452037820E-06     631.0070808        0.1180980538E-08
J1,K1,R1,R2,RAT=  10  10    0.4383551832         1.561652122        0.5616448168    
FOB,PFOB,DIAG,PSTEP=   -0.3652763276E-07   -0.6503670566E-07     600.4770025        0.1083080082E-09
J1,K1,R1,R2,RAT=  11  11    -1.553101076         3.553102590        0.5531010759    
FOB,PFOB,DIAG,PSTEP=   -0.4355417631E-08   -0.1705933101E-08     586.3118885        0.2909597850E-11
J1,K1,R1,R2,RAT= 109 109    0.4703617135E-01     1.952955475        0.9529554748    
FOB,PFOB,DIAG,PSTEP=   -0.4867141636E-05   -0.5107373955E-05     13.91524448        0.3670359723E-06
J1,K1,R1,R2,RAT= 110 110    0.1479592561         1.852037030        0.8520370295    
FOB,PFOB,DIAG,PSTEP=    0.9333389860E-05    0.1095416262E-04     12.24568885       -0.8945338316E-06
J1,K1,R1,R2,RAT= 111 111    0.1853948934         1.814616340        0.8146051066    
FOB,PFOB,DIAG,PSTEP=    0.3379301386E-05    0.4148386794E-05     10.08318877       -0.4114138484E-06
J1,K1,R1,R2,RAT= 112 112    0.4473015792         618.4562822        0.5526984208    
FOB,PFOB,DIAG,PSTEP=   -0.2852054021E-01   -0.2856182532E-01     9.229814164        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.8389677649         1845.494511        0.1610322351    
FOB,PFOB,DIAG,PSTEP=    0.1062460420        0.1061494863         5.765982216       -0.1995994373E-04
J1,K1,R1,R2,RAT= 114 114    0.1651895618        -58310.83620        0.8348104382    
FOB,PFOB,DIAG,PSTEP=    0.9140707281        0.9140655491         3.135157025        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00000     -0.00002     -0.00002 
    -0.00000      0.00001      0.00000     -0.02852      0.10625      0.91407 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3800629728
 Log product of positive Hessian eigenvalues =          519.0792308667
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1351570247
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000002
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000012
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000004
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000035
 Unscaled step for mode   32=        0.0000000043
 Unscaled step for mode   33=        0.0000000002
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000018
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000040
 Unscaled step for mode   42=        0.0000000074
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000088
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000062
 Unscaled step for mode   49=       -0.0000000050
 Unscaled step for mode   50=       -0.0000000062
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000009
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000085
 Unscaled step for mode   57=       -0.0000000022
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=       -0.0000000062
 Unscaled step for mode   62=        0.0000000069
 Unscaled step for mode   63=        0.0000000162
 Unscaled step for mode   64=       -0.0000000015
 Unscaled step for mode   65=       -0.0000000096
 Unscaled step for mode   66=       -0.0000000056
 Unscaled step for mode   67=        0.0000000153
 Unscaled step for mode   68=       -0.0000000037
 Unscaled step for mode   69=        0.0000000000
 Unscaled step for mode   70=       -0.0000000117
 Unscaled step for mode   71=       -0.0000000067
 Unscaled step for mode   72=        0.0000000092
 Unscaled step for mode   73=       -0.0000000011
 Unscaled step for mode   74=       -0.0000000006
 Unscaled step for mode   75=       -0.0000000013
 Unscaled step for mode   76=       -0.0000000013
 Unscaled step for mode   77=       -0.0000000167
 Unscaled step for mode   78=        0.0000000082
 Unscaled step for mode   79=        0.0000000088
 Unscaled step for mode   80=        0.0000000069
 Unscaled step for mode   81=       -0.0000000157
 Unscaled step for mode   82=       -0.0000000147
 Unscaled step for mode   83=       -0.0000000023
 Unscaled step for mode   84=        0.0000000043
 Unscaled step for mode   85=       -0.0000000280
 Unscaled step for mode   86=       -0.0000000072
 Unscaled step for mode   87=       -0.0000000132
 Unscaled step for mode   88=        0.0000000146
 Unscaled step for mode   89=        0.0000000312
 Unscaled step for mode   90=       -0.0000000391
 Unscaled step for mode   91=        0.0000000459
 Unscaled step for mode   92=        0.0000000661
 Unscaled step for mode   93=       -0.0000000629
 Unscaled step for mode   94=       -0.0000000115
 Unscaled step for mode   95=       -0.0000000395
 Unscaled step for mode   96=       -0.0000000250
 Unscaled step for mode   97=       -0.0000000663
 Unscaled step for mode   98=       -0.0000000130
 Unscaled step for mode   99=        0.0000000511
 Unscaled step for mode  100=        0.0000000425
 Unscaled step for mode  101=        0.0000003364
 Unscaled step for mode  102=        0.0000000084
 Unscaled step for mode  103=       -0.0000000851
 Unscaled step for mode  104=        0.0000000206
 Unscaled step for mode  105=        0.0000002739
 Unscaled step for mode  106=       -0.0000002198
 Unscaled step for mode  107=        0.0000010827
 Unscaled step for mode  108=        0.0000014407
 Unscaled step for mode  109=        0.0000003498
 Unscaled step for mode  110=       -0.0000007622
 Unscaled step for mode  111=       -0.0000003351
 Unscaled step for mode  112=        0.0030900154
 Unscaled step for mode  113=       -0.0184201041
 Unscaled step for mode  114=        0.2702597347
 Largest modulus ratio of non-zero e/values=           238.2952536    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.150845E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.257666E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3    0.530076E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.330302E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.476615E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.437990E-14    0.974331E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.170014E-06    0.747093E+03  0.227567E-09 0.100000E-04    0.988247E+00
   8   -0.403366E-06    0.673911E+03  0.598545E-09 0.100000E-04    0.952943E+00
   9   -0.705906E-06    0.631007E+03  0.111870E-08 0.100000E-04    0.947257E+00
  10   -0.365276E-07    0.600477E+03  0.608310E-10 0.100000E-04    0.561645E+00
  11   -0.435542E-08    0.586312E+03  0.742850E-11 0.100000E-04    0.553101E+00
  12   -0.100740E-05    0.578904E+03  0.174018E-08 0.100000E-04    0.944545E+00
  13    0.462972E-07    0.564466E+03 -0.820194E-10 0.100000E-04    0.893892E+00
  14    0.413180E-06    0.487413E+03 -0.847699E-09 0.100000E-04    0.932634E+00
  15   -0.435077E-06    0.460468E+03  0.944859E-09 0.100000E-04    0.939924E+00
  16   -0.130857E-06    0.459714E+03  0.284649E-09 0.100000E-04    0.824964E+00
  17   -0.605531E-06    0.441604E+03  0.137121E-08 0.100000E-04    0.910975E+00
  18   -0.395902E-06    0.429524E+03  0.921722E-09 0.100000E-04    0.930914E+00
  19   -0.149842E-06    0.421836E+03  0.355214E-09 0.100000E-04    0.633583E+00
  20   -0.356663E-06    0.407767E+03  0.874672E-09 0.100000E-04    0.924098E+00
  21   -0.417461E-06    0.396275E+03  0.105346E-08 0.100000E-04    0.919484E+00
  22   -0.617562E-06    0.387313E+03  0.159448E-08 0.100000E-04    0.993849E+00
  23    0.780241E-06    0.370081E+03 -0.210830E-08 0.100000E-04    0.923936E+00
  24   -0.415414E-06    0.360586E+03  0.115205E-08 0.100000E-04    0.979679E+00
  25   -0.855518E-07    0.349267E+03  0.244947E-09 0.109000E-04    0.860577E-01
  26   -0.243511E-07    0.335368E+03  0.726101E-10 0.100000E-04    0.705955E+00
  27    0.380407E-06    0.329398E+03 -0.115485E-08 0.100000E-04    0.895671E+00
  28   -0.400305E-06    0.321802E+03  0.124395E-08 0.100000E-04    0.898743E+00
  29   -0.116557E-06    0.319200E+03  0.365153E-09 0.107036E-04    0.607731E+00
  30   -0.137252E-05    0.309267E+03  0.443796E-08 0.100000E-04    0.963437E+00
  31   -0.104393E-05    0.300754E+03  0.347102E-08 0.100000E-04    0.957271E+00
  32   -0.124234E-05    0.290608E+03  0.427496E-08 0.100000E-04    0.970411E+00
  33   -0.471393E-07    0.279156E+03  0.168864E-09 0.100000E-04    0.472604E+00
  34   -0.176990E-07    0.272786E+03  0.648824E-10 0.100000E-04    0.478068E+00
  35    0.996731E-06    0.268566E+03 -0.371130E-08 0.100000E-04    0.970353E+00
  36    0.120164E-05    0.264989E+03 -0.453470E-08 0.100000E-04    0.987063E+00
  37   -0.504288E-06    0.263900E+03  0.191090E-08 0.100000E-04    0.900319E+00
  38   -0.124606E-06    0.253152E+03  0.492220E-09 0.100000E-04    0.964902E+00
  39   -0.444365E-06    0.241611E+03  0.183918E-08 0.100000E-04    0.889291E+00
  40   -0.117341E-05    0.240813E+03  0.487271E-08 0.100000E-04    0.987699E+00
  41   -0.945733E-06    0.234098E+03  0.403991E-08 0.100000E-04    0.987627E+00
  42   -0.167321E-05    0.227555E+03  0.735299E-08 0.100000E-04    0.965654E+00
  43    0.147766E-07    0.217215E+03 -0.680277E-10 0.100000E-04    0.829822E+00
  44   -0.188486E-05    0.214907E+03  0.877056E-08 0.100000E-04    0.969469E+00
  45    0.725004E-06    0.213229E+03 -0.340011E-08 0.100000E-04    0.981357E+00
  46    0.103790E-05    0.207730E+03 -0.499641E-08 0.100000E-04    0.985094E+00
  47   -0.714316E-06    0.202954E+03  0.351959E-08 0.100000E-04    0.967153E+00
  48   -0.122065E-05    0.195345E+03  0.624867E-08 0.100000E-04    0.928235E+00
  49    0.965179E-06    0.194882E+03 -0.495264E-08 0.100000E-04    0.948726E+00
  50    0.118510E-05    0.191412E+03 -0.619136E-08 0.100000E-04    0.878962E+00
  51    0.221701E-06    0.183040E+03 -0.121121E-08 0.100000E-04    0.868814E+00
  52   -0.617861E-06    0.174438E+03  0.354201E-08 0.100000E-04    0.929670E+00
  53   -0.163457E-06    0.172364E+03  0.948326E-09 0.100000E-04    0.829899E+00
  54    0.210014E-06    0.168246E+03 -0.124825E-08 0.100000E-04    0.916591E+00
  55    0.785154E-06    0.163187E+03 -0.481138E-08 0.100000E-04    0.985152E+00
  56    0.133131E-05    0.156850E+03 -0.848778E-08 0.100000E-04    0.972432E+00
  57    0.342259E-06    0.154968E+03 -0.220858E-08 0.100000E-04    0.832621E+00
  58    0.910443E-06    0.152235E+03 -0.598049E-08 0.100000E-04    0.993640E+00
  59   -0.596727E-06    0.146601E+03  0.407040E-08 0.100000E-04    0.996885E+00
  60   -0.176716E-06    0.143304E+03  0.123316E-08 0.100000E-04    0.734099E+00
  61    0.861288E-06    0.138150E+03 -0.623446E-08 0.100000E-04    0.821587E+00
  62   -0.932846E-06    0.135873E+03  0.686559E-08 0.100000E-04    0.966851E+00
  63   -0.211037E-05    0.130264E+03  0.162007E-07 0.100000E-04    0.919535E+00
  64    0.193113E-06    0.128862E+03 -0.149860E-08 0.100000E-04    0.623255E+00
  65    0.122010E-05    0.126920E+03 -0.961310E-08 0.100000E-04    0.883239E+00
  66    0.693746E-06    0.123952E+03 -0.559691E-08 0.100000E-04    0.891631E+00
  67   -0.183094E-05    0.120032E+03  0.152538E-07 0.100000E-04    0.961985E+00
  68    0.438268E-06    0.118182E+03 -0.370842E-08 0.100000E-04    0.933566E+00
  69   -0.419263E-08    0.116791E+03  0.358986E-10 0.129503E-04    0.649907E-01
  70    0.128917E-05    0.110390E+03 -0.116784E-07 0.100000E-04    0.945032E+00
  71    0.713480E-06    0.106809E+03 -0.667995E-08 0.100000E-04    0.910738E+00
  72   -0.964959E-06    0.104477E+03  0.923606E-08 0.100000E-04    0.811444E+00
  73    0.116346E-06    0.102864E+03 -0.113107E-08 0.100000E-04    0.741635E+00
  74    0.623700E-07    0.995048E+02 -0.626803E-09 0.100000E-04    0.172852E+01
  75    0.129004E-06    0.960684E+02 -0.134283E-08 0.100000E-04    0.475425E+01
  76    0.126418E-06    0.940783E+02 -0.134375E-08 0.100000E-04    0.846492E+00
  77    0.153719E-05    0.919245E+02 -0.167224E-07 0.100000E-04    0.949587E+00
  78   -0.747049E-06    0.912545E+02  0.818644E-08 0.100000E-04    0.965105E+00
  79   -0.777398E-06    0.883632E+02  0.879775E-08 0.100000E-04    0.981906E+00
  80   -0.589060E-06    0.856416E+02  0.687820E-08 0.100000E-04    0.916492E+00
  81    0.127115E-05    0.808442E+02 -0.157234E-07 0.100000E-04    0.995706E+00
  82    0.118559E-05    0.805751E+02 -0.147140E-07 0.100000E-04    0.929375E+00
  83    0.180262E-06    0.779322E+02 -0.231306E-08 0.100000E-04    0.417543E+00
  84   -0.316154E-06    0.732620E+02  0.431539E-08 0.100000E-04    0.591883E+00
  85    0.202973E-05    0.724934E+02 -0.279988E-07 0.100000E-04    0.887091E+00
  86    0.487566E-06    0.678842E+02 -0.718232E-08 0.100000E-04    0.831399E+00
  87    0.852292E-06    0.647052E+02 -0.131719E-07 0.100000E-04    0.799426E+00
  88   -0.897381E-06    0.613014E+02  0.146388E-07 0.100000E-04    0.928590E+00
  89   -0.186528E-05    0.598075E+02  0.311881E-07 0.100000E-04    0.944965E+00
  90    0.232145E-05    0.594105E+02 -0.390747E-07 0.100000E-04    0.973578E+00
  91   -0.266678E-05    0.581322E+02  0.458744E-07 0.100000E-04    0.921296E+00
  92   -0.369300E-05    0.558494E+02  0.661243E-07 0.100000E-04    0.948314E+00
  93    0.329982E-05    0.524345E+02 -0.629322E-07 0.100000E-04    0.983891E+00
  94    0.599014E-06    0.519888E+02 -0.115220E-07 0.100000E-04    0.754172E+00
  95    0.198589E-05    0.503056E+02 -0.394765E-07 0.100000E-04    0.886484E+00
  96    0.115078E-05    0.461118E+02 -0.249564E-07 0.100000E-04    0.930278E+00
  97    0.287607E-05    0.434031E+02 -0.662642E-07 0.100000E-04    0.879721E+00
  98    0.530083E-06    0.409288E+02 -0.129514E-07 0.100000E-04    0.656275E+00
  99   -0.193429E-05    0.378631E+02  0.510864E-07 0.100000E-04    0.813885E+00
 100   -0.153871E-05    0.361697E+02  0.425414E-07 0.100000E-04    0.889851E+00
 101   -0.108406E-04    0.322273E+02  0.336379E-06 0.100000E-04    0.941130E+00
 102   -0.242509E-06    0.289384E+02  0.838016E-08 0.100000E-04    0.454873E+00
 103    0.242148E-05    0.284593E+02 -0.850858E-07 0.100000E-04    0.959661E+00
 104   -0.543206E-06    0.263306E+02  0.206302E-07 0.100000E-04    0.118655E+01
 105   -0.638688E-05    0.233219E+02  0.273858E-06 0.100000E-04    0.929866E+00
 106    0.469290E-05    0.213539E+02 -0.219768E-06 0.100000E-04    0.964074E+00
 107   -0.214848E-04    0.198435E+02  0.108271E-05 0.100000E-04    0.922974E+00
 108   -0.236925E-04    0.164446E+02  0.144075E-05 0.100000E-04    0.931081E+00
 109   -0.486714E-05    0.139152E+02  0.349770E-06 0.100000E-04    0.952955E+00
 110    0.933339E-05    0.122457E+02 -0.762178E-06 0.100000E-04    0.852037E+00
 111    0.337930E-05    0.100832E+02 -0.335142E-06 0.100000E-04    0.814605E+00
 112   -0.285205E-01    0.922981E+01  0.100000E-04 0.100000E-04    0.552698E+00
 113    0.106246E+00    0.576598E+01 -0.217563E-04 0.217563E-04    0.161032E+00
 114    0.914071E+00    0.313516E+01  0.100000E-04 0.100000E-04    0.834810E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2175633866E-04    0.2702597347    

 Beginning of optimization cycle  717.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2987060875
 potential> RMS force:                                               0.0862296168   |gradient|=.9206803664    
 Eigenvalues of the Hessian matrix:
   747.09678    673.90978    631.00996    600.47484    586.31138    578.90384 
   564.46189    487.41293    460.46640    459.71310    441.60337    429.52511 
   421.83491    407.76581    396.27396    387.31127    370.08148    360.58638 
   349.26656    335.36886    329.39923    321.80214    319.20028    309.26630 
   300.75396    290.60824    279.15777    272.78671    268.56662    264.98897 
   263.90057    253.15109    241.61163    240.81319    234.09856    227.55492 
   217.21564    214.90721    213.22920    207.73045    202.95367    195.34445 
   194.88212    191.41288    183.04079    174.43864    172.36392    168.24636 
   163.18651    156.84989    154.96833    152.23531    146.60076    143.30328 
   138.15011    135.87265    130.26397    128.86260    126.92063    123.95051 
   120.03179    118.18174    116.79063    110.38979    106.80912    104.47751 
   102.86392     99.50477     96.06823     94.07808     91.92410     91.25472 
    88.36273     85.64191     80.84428     80.57581     77.93198     73.26180 
    72.49282     67.88384     64.70480     61.30103     59.80718     59.41054 
    58.13216     55.84913     52.43435     51.98845     50.30619     46.11138 
    43.40363     40.92886     37.86308     36.16929     32.22695     28.93878 
    28.45935     26.33095     23.32179     21.35413     19.84345     16.44448 
    13.91530     12.24571     10.08314      9.23135      5.76615      3.13483 
overlap for current and previous eigenvector    109 is         0.9999999879
overlap for current and previous eigenvector    110 is         0.9999999985
overlap for current and previous eigenvector    111 is         0.9999999363
overlap for current and previous eigenvector    112 is         0.9999999063
overlap for current and previous eigenvector    113 is         0.9999999380
overlap for current and previous eigenvector    114 is         0.9999999665
J1,K1,R1,R2,RAT=   7   7    0.5638962382E-02     1.994351032        0.9943510318    
FOB,PFOB,DIAG,PSTEP=   -0.1690549224E-06   -0.1700136277E-06     747.0967760        0.2275668745E-09
J1,K1,R1,R2,RAT=   8   8   -0.4030004133E-01     2.040304414        0.9596999587    
FOB,PFOB,DIAG,PSTEP=   -0.4196221260E-06   -0.4033664759E-06     673.9097839        0.5985453895E-09
J1,K1,R1,R2,RAT=   9   9   -0.4439190333E-01     2.044382793        0.9556080967    
FOB,PFOB,DIAG,PSTEP=   -0.7372428501E-06   -0.7059061881E-06     631.0099552        0.1118697729E-08
J1,K1,R1,R2,RAT=  10  10   -0.6600264106         2.660033611        0.3399735894    
FOB,PFOB,DIAG,PSTEP=   -0.6063674831E-07   -0.3652763276E-07     600.4748407        0.6083102702E-10
J1,K1,R1,R2,RAT=  11  11    0.2589656496         1.741036077        0.7410343504    
FOB,PFOB,DIAG,PSTEP=   -0.3227515049E-08   -0.4355417631E-08     586.3113825        0.7428499604E-11
J1,K1,R1,R2,RAT= 109 109   -0.3848855621E-01     2.038480022        0.9615114438    
FOB,PFOB,DIAG,PSTEP=   -0.5054471689E-05   -0.4867141636E-05     13.91530386        0.3497704723E-06
J1,K1,R1,R2,RAT= 110 110   -0.1432255993         2.143221764        0.8567744007    
FOB,PFOB,DIAG,PSTEP=    0.1067017278E-04    0.9333389860E-05     12.24571233       -0.7621776100E-06
J1,K1,R1,R2,RAT= 111 111   -0.2182076090         2.218218025        0.7817923910    
FOB,PFOB,DIAG,PSTEP=    0.4116686821E-05    0.3379301386E-05     10.08313625       -0.3351421325E-06
J1,K1,R1,R2,RAT= 112 112    0.4192115765         617.4872094        0.5807884235    
FOB,PFOB,DIAG,PSTEP=   -0.2848184134E-01   -0.2852054021E-01     9.231346121        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113   -0.7829169167         1694.617477        0.2170830833    
FOB,PFOB,DIAG,PSTEP=    0.1063442592        0.1062460420         5.766150261       -0.2175633866E-04
J1,K1,R1,R2,RAT= 114 114    0.1173063480        -58317.27671        0.8826936520    
FOB,PFOB,DIAG,PSTEP=    0.9140744054        0.9140707281         3.134825967        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000      0.00000      0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000      0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00001     -0.00000 
     0.00000     -0.00000     -0.00001      0.00000     -0.00002     -0.00003 
    -0.00001      0.00001      0.00000     -0.02848      0.10634      0.91407 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3800426252
 Log product of positive Hessian eigenvalues =          519.0792916544
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1348259669
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000012
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000018
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000009
 Unscaled step for mode   15=        0.0000000010
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000015
 Unscaled step for mode   18=        0.0000000010
 Unscaled step for mode   19=        0.0000000003
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000011
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000023
 Unscaled step for mode   24=        0.0000000012
 Unscaled step for mode   25=        0.0000000001
 Unscaled step for mode   26=       -0.0000000001
 Unscaled step for mode   27=       -0.0000000013
 Unscaled step for mode   28=        0.0000000014
 Unscaled step for mode   29=        0.0000000006
 Unscaled step for mode   30=        0.0000000046
 Unscaled step for mode   31=        0.0000000036
 Unscaled step for mode   32=        0.0000000044
 Unscaled step for mode   33=        0.0000000003
 Unscaled step for mode   34=       -0.0000000001
 Unscaled step for mode   35=       -0.0000000038
 Unscaled step for mode   36=       -0.0000000046
 Unscaled step for mode   37=        0.0000000021
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000017
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000040
 Unscaled step for mode   42=        0.0000000076
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000090
 Unscaled step for mode   45=       -0.0000000033
 Unscaled step for mode   46=       -0.0000000051
 Unscaled step for mode   47=        0.0000000036
 Unscaled step for mode   48=        0.0000000066
 Unscaled step for mode   49=       -0.0000000052
 Unscaled step for mode   50=       -0.0000000069
 Unscaled step for mode   51=       -0.0000000014
 Unscaled step for mode   52=        0.0000000038
 Unscaled step for mode   53=        0.0000000008
 Unscaled step for mode   54=       -0.0000000012
 Unscaled step for mode   55=       -0.0000000047
 Unscaled step for mode   56=       -0.0000000087
 Unscaled step for mode   57=       -0.0000000026
 Unscaled step for mode   58=       -0.0000000059
 Unscaled step for mode   59=        0.0000000040
 Unscaled step for mode   60=        0.0000000016
 Unscaled step for mode   61=       -0.0000000074
 Unscaled step for mode   62=        0.0000000070
 Unscaled step for mode   63=        0.0000000174
 Unscaled step for mode   64=       -0.0000000023
 Unscaled step for mode   65=       -0.0000000107
 Unscaled step for mode   66=       -0.0000000062
 Unscaled step for mode   67=        0.0000000157
 Unscaled step for mode   68=       -0.0000000039
 Unscaled step for mode   69=        0.0000000005
 Unscaled step for mode   70=       -0.0000000122
 Unscaled step for mode   71=       -0.0000000072
 Unscaled step for mode   72=        0.0000000080
 Unscaled step for mode   73=       -0.0000000015
 Unscaled step for mode   74=       -0.0000000002
 Unscaled step for mode   75=       -0.0000000001
 Unscaled step for mode   76=       -0.0000000015
 Unscaled step for mode   77=        0.0000000161
 Unscaled step for mode   78=        0.0000000084
 Unscaled step for mode   79=        0.0000000089
 Unscaled step for mode   80=        0.0000000074
 Unscaled step for mode   81=       -0.0000000158
 Unscaled step for mode   82=       -0.0000000156
 Unscaled step for mode   83=       -0.0000000016
 Unscaled step for mode   84=        0.0000000068
 Unscaled step for mode   85=       -0.0000000310
 Unscaled step for mode   86=       -0.0000000083
 Unscaled step for mode   87=       -0.0000000160
 Unscaled step for mode   88=        0.0000000138
 Unscaled step for mode   89=        0.0000000327
 Unscaled step for mode   90=       -0.0000000398
 Unscaled step for mode   91=        0.0000000490
 Unscaled step for mode   92=        0.0000000690
 Unscaled step for mode   93=       -0.0000000637
 Unscaled step for mode   94=       -0.0000000095
 Unscaled step for mode   95=       -0.0000000438
 Unscaled step for mode   96=       -0.0000000265
 Unscaled step for mode   97=       -0.0000000736
 Unscaled step for mode   98=       -0.0000000186
 Unscaled step for mode   99=        0.0000000610
 Unscaled step for mode  100=        0.0000000469
 Unscaled step for mode  101=        0.0000003534
 Unscaled step for mode  102=        0.0000000167
 Unscaled step for mode  103=       -0.0000000881
 Unscaled step for mode  104=        0.0000000086
 Unscaled step for mode  105=        0.0000002910
 Unscaled step for mode  106=       -0.0000002258
 Unscaled step for mode  107=        0.0000011582
 Unscaled step for mode  108=        0.0000015286
 Unscaled step for mode  109=        0.0000003632
 Unscaled step for mode  110=       -0.0000008713
 Unscaled step for mode  111=       -0.0000004083
 Unscaled step for mode  112=        0.0030853106
 Unscaled step for mode  113=       -0.0184365837
 Unscaled step for mode  114=        0.2702853292
 Largest modulus ratio of non-zero e/values=           238.3216114    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.154661E-14    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.236161E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.236427E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.252836E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5    0.839687E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.517249E-14    0.974332E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.169055E-06    0.747097E+03  0.226282E-09 0.100000E-04    0.994351E+00
   8   -0.419622E-06    0.673910E+03  0.622668E-09 0.100000E-04    0.959700E+00
   9   -0.737243E-06    0.631010E+03  0.116835E-08 0.100000E-04    0.955608E+00
  10   -0.606367E-07    0.600475E+03  0.100981E-09 0.100000E-04    0.339974E+00
  11   -0.322752E-08    0.586311E+03  0.550478E-11 0.100000E-04    0.741034E+00
  12   -0.105582E-05    0.578904E+03  0.182383E-08 0.100000E-04    0.951932E+00
  13    0.422265E-07    0.564462E+03 -0.748084E-10 0.100000E-04    0.912074E+00
  14    0.438747E-06    0.487413E+03 -0.900154E-09 0.100000E-04    0.938123E+00
  15   -0.457518E-06    0.460466E+03  0.993598E-09 0.100000E-04    0.948420E+00
  16   -0.153697E-06    0.459713E+03  0.334332E-09 0.100000E-04    0.825459E+00
  17   -0.654664E-06    0.441603E+03  0.148247E-08 0.100000E-04    0.918860E+00
  18   -0.418664E-06    0.429525E+03  0.974714E-09 0.100000E-04    0.942505E+00
  19   -0.115525E-06    0.421835E+03  0.273862E-09 0.100000E-04    0.770977E+00
  20   -0.380293E-06    0.407766E+03  0.932625E-09 0.100000E-04    0.933747E+00
  21   -0.447051E-06    0.396274E+03  0.112814E-08 0.100000E-04    0.929120E+00
  22   -0.618969E-06    0.387311E+03  0.159812E-08 0.100000E-04    0.997721E+00
  23    0.832700E-06    0.370081E+03 -0.225004E-08 0.100000E-04    0.932767E+00
  24   -0.421007E-06    0.360586E+03  0.116756E-08 0.100000E-04    0.986538E+00
  25   -0.511925E-07    0.349267E+03  0.146571E-09 0.100000E-04    0.598379E+00
  26    0.259783E-07    0.335369E+03 -0.774618E-10 0.100000E-04    0.933180E+00
  27    0.416838E-06    0.329399E+03 -0.126545E-08 0.100000E-04    0.904233E+00
  28   -0.436671E-06    0.321802E+03  0.135695E-08 0.100000E-04    0.909155E+00
  29   -0.177520E-06    0.319200E+03  0.556140E-09 0.100000E-04    0.476962E+00
  30   -0.141413E-05    0.309266E+03  0.457253E-08 0.100000E-04    0.969682E+00
  31   -0.108225E-05    0.300754E+03  0.359845E-08 0.100000E-04    0.963288E+00
  32   -0.127212E-05    0.290608E+03  0.437744E-08 0.100000E-04    0.976028E+00
  33   -0.916125E-07    0.279158E+03  0.328175E-09 0.109000E-04    0.565645E-01
  34    0.281586E-07    0.272787E+03 -0.103226E-09 0.100000E-04    0.409031E+00
  35    0.101906E-05    0.268567E+03 -0.379443E-08 0.100000E-04    0.977601E+00
  36    0.121425E-05    0.264989E+03 -0.458227E-08 0.100000E-04    0.989508E+00
  37   -0.551080E-06    0.263901E+03  0.208821E-08 0.100000E-04    0.907212E+00
  38   -0.120024E-06    0.253151E+03  0.474121E-09 0.100000E-04    0.963227E+00
  39   -0.408720E-06    0.241612E+03  0.169164E-08 0.100000E-04    0.919779E+00
  40   -0.118408E-05    0.240813E+03  0.491702E-08 0.100000E-04    0.990905E+00
  41   -0.935251E-06    0.234099E+03  0.399512E-08 0.100000E-04    0.988909E+00
  42   -0.171892E-05    0.227555E+03  0.755385E-08 0.100000E-04    0.972682E+00
  43    0.148290E-07    0.217216E+03 -0.682685E-10 0.100000E-04    0.996456E+00
  44   -0.193169E-05    0.214907E+03  0.898848E-08 0.100000E-04    0.975153E+00
  45    0.711148E-06    0.213229E+03 -0.333513E-08 0.100000E-04    0.980888E+00
  46    0.105132E-05    0.207730E+03 -0.506099E-08 0.100000E-04    0.987073E+00
  47   -0.734827E-06    0.202954E+03  0.362066E-08 0.100000E-04    0.971286E+00
  48   -0.129547E-05    0.195344E+03  0.663171E-08 0.100000E-04    0.938704E+00
  49    0.101011E-05    0.194882E+03 -0.518316E-08 0.100000E-04    0.953453E+00
  50    0.131992E-05    0.191413E+03 -0.689566E-08 0.100000E-04    0.886243E+00
  51    0.249355E-06    0.183041E+03 -0.136229E-08 0.100000E-04    0.875264E+00
  52   -0.654956E-06    0.174439E+03  0.375465E-08 0.100000E-04    0.939963E+00
  53   -0.145198E-06    0.172364E+03  0.842393E-09 0.100000E-04    0.888292E+00
  54    0.197219E-06    0.168246E+03 -0.117220E-08 0.100000E-04    0.939075E+00
  55    0.773495E-06    0.163187E+03 -0.473994E-08 0.100000E-04    0.985150E+00
  56    0.135971E-05    0.156850E+03 -0.866888E-08 0.100000E-04    0.978664E+00
  57    0.399123E-06    0.154968E+03 -0.257552E-08 0.100000E-04    0.833858E+00
  58    0.905321E-06    0.152235E+03 -0.594685E-08 0.100000E-04    0.994374E+00
  59   -0.592804E-06    0.146601E+03  0.404366E-08 0.100000E-04    0.993426E+00
  60   -0.228886E-06    0.143303E+03  0.159721E-08 0.100000E-04    0.704784E+00
  61    0.101759E-05    0.138150E+03 -0.736583E-08 0.100000E-04    0.818526E+00
  62   -0.954641E-06    0.135873E+03  0.702600E-08 0.100000E-04    0.976636E+00
  63   -0.226314E-05    0.130264E+03  0.173735E-07 0.100000E-04    0.927611E+00
  64    0.290103E-06    0.128863E+03 -0.225126E-08 0.100000E-04    0.497754E+00
  65    0.135373E-05    0.126921E+03 -0.106660E-07 0.100000E-04    0.890472E+00
  66    0.766434E-06    0.123951E+03 -0.618338E-08 0.100000E-04    0.895223E+00
  67   -0.188894E-05    0.120032E+03  0.157370E-07 0.100000E-04    0.968324E+00
  68    0.464462E-06    0.118182E+03 -0.393007E-08 0.100000E-04    0.940232E+00
  69   -0.560081E-07    0.116791E+03  0.479560E-09 0.116669E-04    0.113587E+02
  70    0.134980E-05    0.110390E+03 -0.122275E-07 0.100000E-04    0.952973E+00
  71    0.771356E-06    0.106809E+03 -0.722182E-08 0.100000E-04    0.918882E+00
  72   -0.834857E-06    0.104478E+03  0.799078E-08 0.100000E-04    0.865170E+00
  73    0.149297E-06    0.102864E+03 -0.145140E-08 0.100000E-04    0.716788E+00
  74    0.245712E-07    0.995048E+02 -0.246935E-09 0.100000E-04    0.393958E+00
  75    0.509674E-08    0.960682E+02 -0.530534E-10 0.109000E-04    0.395063E-01
  76    0.144586E-06    0.940781E+02 -0.153688E-08 0.100000E-04    0.856281E+00
  77   -0.147812E-05    0.919241E+02  0.160798E-07 0.100000E-04    0.961568E+00
  78   -0.765125E-06    0.912547E+02  0.838450E-08 0.100000E-04    0.975804E+00
  79   -0.787271E-06    0.883627E+02  0.890954E-08 0.100000E-04    0.987299E+00
  80   -0.634927E-06    0.856419E+02  0.741374E-08 0.100000E-04    0.922136E+00
  81    0.127428E-05    0.808443E+02 -0.157621E-07 0.100000E-04    0.997538E+00
  82    0.126071E-05    0.805758E+02 -0.156463E-07 0.100000E-04    0.936634E+00
  83    0.122274E-06    0.779320E+02 -0.156898E-08 0.100000E-04    0.678309E+00
  84   -0.495769E-06    0.732618E+02  0.676709E-08 0.100000E-04    0.431874E+00
  85    0.224652E-05    0.724928E+02 -0.309895E-07 0.100000E-04    0.893190E+00
  86    0.565603E-06    0.678838E+02 -0.833192E-08 0.100000E-04    0.839946E+00
  87    0.103235E-05    0.647048E+02 -0.159548E-07 0.100000E-04    0.788731E+00
  88   -0.843111E-06    0.613010E+02  0.137536E-07 0.100000E-04    0.939524E+00
  89   -0.195330E-05    0.598072E+02  0.326600E-07 0.100000E-04    0.952811E+00
  90    0.236625E-05    0.594105E+02 -0.398288E-07 0.100000E-04    0.980700E+00
  91   -0.284577E-05    0.581322E+02  0.489534E-07 0.100000E-04    0.932881E+00
  92   -0.385531E-05    0.558491E+02  0.690308E-07 0.100000E-04    0.956050E+00
  93    0.333885E-05    0.524344E+02 -0.636767E-07 0.100000E-04    0.988172E+00
  94    0.494143E-06    0.519885E+02 -0.950486E-08 0.100000E-04    0.824926E+00
  95    0.220399E-05    0.503062E+02 -0.438115E-07 0.100000E-04    0.890175E+00
  96    0.122100E-05    0.461114E+02 -0.264793E-07 0.100000E-04    0.938984E+00
  97    0.319355E-05    0.434036E+02 -0.735780E-07 0.100000E-04    0.889614E+00
  98    0.760891E-06    0.409289E+02 -0.185906E-07 0.100000E-04    0.564584E+00
  99   -0.231022E-05    0.378631E+02  0.610152E-07 0.100000E-04    0.805648E+00
 100   -0.169639E-05    0.361693E+02  0.469014E-07 0.100000E-04    0.897522E+00
 101   -0.113898E-04    0.322269E+02  0.353424E-06 0.100000E-04    0.949339E+00
 102   -0.482953E-06    0.289388E+02  0.166888E-07 0.109000E-04    0.852626E-02
 103    0.250799E-05    0.284593E+02 -0.881254E-07 0.100000E-04    0.964274E+00
 104   -0.227281E-06    0.263309E+02  0.863172E-08 0.100000E-04    0.418391E+00
 105   -0.678691E-05    0.233218E+02  0.291012E-06 0.100000E-04    0.937366E+00
 106    0.482075E-05    0.213541E+02 -0.225753E-06 0.100000E-04    0.972757E+00
 107   -0.229827E-04    0.198434E+02  0.115820E-05 0.100000E-04    0.930279E+00
 108   -0.251370E-04    0.164445E+02  0.152860E-05 0.100000E-04    0.939031E+00
 109   -0.505447E-05    0.139153E+02  0.363231E-06 0.100000E-04    0.961511E+00
 110    0.106702E-04    0.122457E+02 -0.871339E-06 0.100000E-04    0.856774E+00
 111    0.411669E-05    0.100831E+02 -0.408274E-06 0.100000E-04    0.781792E+00
 112   -0.284818E-01    0.923135E+01  0.100000E-04 0.100000E-04    0.580788E+00
 113    0.106344E+00    0.576615E+01 -0.196003E-04 0.196003E-04    0.217083E+00
 114    0.914074E+00    0.313483E+01  0.100000E-04 0.100000E-04    0.882694E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.1960030510E-04    0.2702853292    

 Beginning of optimization cycle  718.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2986993143
 potential> RMS force:                                               0.0862310418   |gradient|=.9206955809    
 Eigenvalues of the Hessian matrix:
   747.10041    673.90854    631.01272    600.47265    586.31095    578.90387 
   564.45798    487.41259    460.46519    459.71259    441.60288    429.52630 
   421.83429    407.76428    396.27342    387.30991    370.08191    360.58653 
   349.26587    335.36948    329.40003    321.80190    319.20091    309.26519 
   300.75339    290.60830    279.15918    272.78716    268.56687    264.98926 
   263.90106    253.15051    241.61199    240.81346    234.09929    227.55521 
   217.21637    214.90734    213.22892    207.73092    202.95329    195.34368 
   194.88246    191.41331    183.04149    174.43934    172.36416    168.24662 
   163.18621    156.84968    154.96883    152.23514    146.60022    143.30290 
   138.15061    135.87264    130.26375    128.86279    126.92082    123.94944 
   120.03197    118.18186    116.79023    110.39002    106.80899    104.47771 
   102.86400     99.50470     96.06804     94.07786     91.92371     91.25491 
    88.36224     85.64218     80.84437     80.57644     77.93176     73.26161 
    72.49228     67.88354     64.70440     61.30063     59.80689     59.41062 
    58.13214     55.84892     52.43426     51.98810     50.30675     46.11099 
    43.40418     40.92897     37.86305     36.16897     32.22659     28.93910 
    28.45941     26.33124     23.32168     21.35438     19.84335     16.44439 
    13.91536     12.24574     10.08308      9.23278      5.76630      3.13451 
overlap for current and previous eigenvector    109 is        -0.9999999895
overlap for current and previous eigenvector    110 is         0.9999999987
overlap for current and previous eigenvector    111 is        -0.9999999462
overlap for current and previous eigenvector    112 is        -0.9999999196
overlap for current and previous eigenvector    113 is        -0.9999999453
overlap for current and previous eigenvector    114 is        -0.9999999708
J1,K1,R1,R2,RAT=   7   7   -0.1295272820E-01     2.012943010        0.9870472718    
FOB,PFOB,DIAG,PSTEP=   -0.1712446555E-06   -0.1690549224E-06     747.1004063        0.2262824949E-09
J1,K1,R1,R2,RAT=   8   8    0.4652630427E-01     1.953477374        0.9534736957    
FOB,PFOB,DIAG,PSTEP=   -0.4000986952E-06   -0.4196221260E-06     673.9085446        0.6226681019E-09
J1,K1,R1,R2,RAT=   9   9    0.5172279729E-01     1.948268429        0.9482684290    
FOB,PFOB,DIAG,PSTEP=   -0.6991104203E-06   -0.7372428501E-06     631.0127234        0.1168353754E-08
J1,K1,R1,R2,RAT=  10  10    0.4618408811         1.538166411        0.5381591189    
FOB,PFOB,DIAG,PSTEP=   -0.3263232115E-07   -0.6063674831E-07     600.4726512        0.1009813304E-09
J1,K1,R1,R2,RAT=  11  11   -0.7799568119         2.779958282        0.2200431881    
FOB,PFOB,DIAG,PSTEP=   -0.5744835546E-08   -0.3227515049E-08     586.3109514        0.5504779790E-11
J1,K1,R1,R2,RAT= 109 109     1.957603434        0.4238818950E-01    0.9576034335    
FOB,PFOB,DIAG,PSTEP=    0.4840220888E-05   -0.5054471689E-05     13.91536215        0.3632311403E-06
J1,K1,R1,R2,RAT= 110 110    0.1492451474         1.850751020        0.8507510196    
FOB,PFOB,DIAG,PSTEP=    0.9077698218E-05    0.1067017278E-04     12.24573580       -0.8713394935E-06
J1,K1,R1,R2,RAT= 111 111     1.821468945        0.1785421955        0.8214578045    
FOB,PFOB,DIAG,PSTEP=   -0.3381688612E-05    0.4116686821E-05     10.08308009       -0.4082744414E-06
J1,K1,R1,R2,RAT= 112 112     616.5183722        0.4534810521        0.5465189479    
FOB,PFOB,DIAG,PSTEP=    0.2843997241E-01   -0.2848184134E-01     9.232784669        0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1882.691416       -0.8453350267        0.1546649733    
FOB,PFOB,DIAG,PSTEP=   -0.1064398000        0.1063442592         5.766298430       -0.1960030510E-04
J1,K1,R1,R2,RAT= 114 114    -58323.48498        0.1757219590        0.8242780410    
FOB,PFOB,DIAG,PSTEP=   -0.9140799134        0.9140744054         3.134508028        0.1000000000E-04
 Gradients along Hessian eigenvectors: 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000     -0.00000 
    -0.00000     -0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000      0.00000      0.00000 
    -0.00000     -0.00000     -0.00000     -0.00000     -0.00000     -0.00000 
     0.00000     -0.00000      0.00000      0.00000     -0.00000     -0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
     0.00000      0.00000     -0.00000      0.00000     -0.00000     -0.00000 
     0.00000     -0.00000     -0.00000      0.00000     -0.00000      0.00000 
    -0.00000     -0.00000      0.00000      0.00000     -0.00000      0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000     -0.00000 
    -0.00000      0.00000     -0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000      0.00000     -0.00000     -0.00000     -0.00000 
    -0.00000      0.00000      0.00000      0.00000      0.00000      0.00000 
     0.00000      0.00000     -0.00000     -0.00000      0.00001     -0.00000 
    -0.00000     -0.00000     -0.00001     -0.00000      0.00002      0.00002 
     0.00000      0.00001     -0.00000      0.02844     -0.10644     -0.91408 
 Number of negative eigenvalues=  0
 Mean modulus of positive Hessian eigenvalues=          194.3800205157
 Log product of positive Hessian eigenvalues =          519.0793476572
 efol>        1 modes will be searched uphill
 Mode  114 will be searched uphill. Eigenvalue=           3.1345080282
 Unscaled step for mode    7=        0.0000000002
 Unscaled step for mode    8=        0.0000000006
 Unscaled step for mode    9=        0.0000000011
 Unscaled step for mode   10=        0.0000000001
 Unscaled step for mode   11=        0.0000000000
 Unscaled step for mode   12=        0.0000000017
 Unscaled step for mode   13=       -0.0000000001
 Unscaled step for mode   14=       -0.0000000008
 Unscaled step for mode   15=        0.0000000009
 Unscaled step for mode   16=        0.0000000003
 Unscaled step for mode   17=        0.0000000014
 Unscaled step for mode   18=        0.0000000009
 Unscaled step for mode   19=        0.0000000004
 Unscaled step for mode   20=        0.0000000009
 Unscaled step for mode   21=        0.0000000010
 Unscaled step for mode   22=        0.0000000016
 Unscaled step for mode   23=       -0.0000000021
 Unscaled step for mode   24=        0.0000000011
 Unscaled step for mode   25=        0.0000000003
 Unscaled step for mode   26=        0.0000000001
 Unscaled step for mode   27=       -0.0000000011
 Unscaled step for mode   28=        0.0000000012
 Unscaled step for mode   29=        0.0000000003
 Unscaled step for mode   30=        0.0000000044
 Unscaled step for mode   31=        0.0000000034
 Unscaled step for mode   32=        0.0000000042
 Unscaled step for mode   33=        0.0000000001
 Unscaled step for mode   34=        0.0000000001
 Unscaled step for mode   35=       -0.0000000037
 Unscaled step for mode   36=       -0.0000000045
 Unscaled step for mode   37=        0.0000000019
 Unscaled step for mode   38=        0.0000000005
 Unscaled step for mode   39=        0.0000000019
 Unscaled step for mode   40=        0.0000000049
 Unscaled step for mode   41=        0.0000000040
 Unscaled step for mode   42=        0.0000000073
 Unscaled step for mode   43=       -0.0000000001
 Unscaled step for mode   44=        0.0000000087
 Unscaled step for mode   45=       -0.0000000034
 Unscaled step for mode   46=       -0.0000000050
 Unscaled step for mode   47=        0.0000000035
 Unscaled step for mode   48=        0.0000000061
 Unscaled step for mode   49=       -0.0000000049
 Unscaled step for mode   50=       -0.0000000060
 Unscaled step for mode   51=       -0.0000000012
 Unscaled step for mode   52=        0.0000000035
 Unscaled step for mode   53=        0.0000000010
 Unscaled step for mode   54=        0.0000000013
 Unscaled step for mode   55=       -0.0000000048
 Unscaled step for mode   56=       -0.0000000084
 Unscaled step for mode   57=        0.0000000022
 Unscaled step for mode   58=       -0.0000000060
 Unscaled step for mode   59=        0.0000000041
 Unscaled step for mode   60=        0.0000000012
 Unscaled step for mode   61=       -0.0000000060
 Unscaled step for mode   62=        0.0000000068
 Unscaled step for mode   63=        0.0000000159
 Unscaled step for mode   64=       -0.0000000013
 Unscaled step for mode   65=        0.0000000094
 Unscaled step for mode   66=       -0.0000000055
 Unscaled step for mode   67=        0.0000000151
 Unscaled step for mode   68=        0.0000000037
 Unscaled step for mode   69=       -0.0000000000
 Unscaled step for mode   70=       -0.0000000116
 Unscaled step for mode   71=        0.0000000066
 Unscaled step for mode   72=       -0.0000000095
 Unscaled step for mode   73=        0.0000000011
 Unscaled step for mode   74=       -0.0000000007
 Unscaled step for mode   75=       -0.0000000016
 Unscaled step for mode   76=       -0.0000000013
 Unscaled step for mode   77=       -0.0000000168
 Unscaled step for mode   78=        0.0000000081
 Unscaled step for mode   79=        0.0000000087
 Unscaled step for mode   80=       -0.0000000068
 Unscaled step for mode   81=        0.0000000157
 Unscaled step for mode   82=       -0.0000000145
 Unscaled step for mode   83=       -0.0000000024
 Unscaled step for mode   84=       -0.0000000038
 Unscaled step for mode   85=       -0.0000000275
 Unscaled step for mode   86=       -0.0000000069
 Unscaled step for mode   87=       -0.0000000126
 Unscaled step for mode   88=        0.0000000147
 Unscaled step for mode   89=        0.0000000309
 Unscaled step for mode   90=        0.0000000388
 Unscaled step for mode   91=        0.0000000449
 Unscaled step for mode   92=       -0.0000000654
 Unscaled step for mode   93=       -0.0000000625
 Unscaled step for mode   94=       -0.0000000117
 Unscaled step for mode   95=       -0.0000000388
 Unscaled step for mode   96=       -0.0000000244
 Unscaled step for mode   97=       -0.0000000647
 Unscaled step for mode   98=       -0.0000000121
 Unscaled step for mode   99=        0.0000000494
 Unscaled step for mode  100=        0.0000000417
 Unscaled step for mode  101=       -0.0000003317
 Unscaled step for mode  102=        0.0000000065
 Unscaled step for mode  103=        0.0000000846
 Unscaled step for mode  104=        0.0000000238
 Unscaled step for mode  105=        0.0000002699
 Unscaled step for mode  106=        0.0000002180
 Unscaled step for mode  107=       -0.0000010654
 Unscaled step for mode  108=       -0.0000014202
 Unscaled step for mode  109=       -0.0000003478
 Unscaled step for mode  110=       -0.0000007413
 Unscaled step for mode  111=        0.0000003354
 Unscaled step for mode  112=       -0.0030802952
 Unscaled step for mode  113=        0.0184526622
 Unscaled step for mode  114=       -0.2703104183
 Largest modulus ratio of non-zero e/values=           238.3469430    
-------------------------------------------------------------------------------
Vector      Gradient        Secder       Step          Max step    Trust ratio
-------------------------------------------------------------------------------
   1   -0.523453E-15    0.101906E+07  0.000000E+00 0.400000E-03    0.000000E+00
   2   -0.251399E-14    0.100661E+07  0.000000E+00 0.400000E-03    0.000000E+00
   3   -0.610081E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   4    0.275130E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   5   -0.596926E-15    0.100000E+07  0.000000E+00 0.400000E-03    0.000000E+00
   6   -0.493271E-14    0.974332E+06  0.000000E+00 0.400000E-03    0.000000E+00
   7   -0.171245E-06    0.747100E+03  0.229212E-09 0.100000E-04    0.987047E+00
   8   -0.400099E-06    0.673909E+03  0.593699E-09 0.100000E-04    0.953474E+00
   9   -0.699110E-06    0.631013E+03  0.110792E-08 0.100000E-04    0.948268E+00
  10   -0.326323E-07    0.600473E+03  0.543444E-10 0.100000E-04    0.538159E+00
  11   -0.574484E-08    0.586311E+03  0.979827E-11 0.100000E-04    0.220043E+00
  12   -0.998035E-06    0.578904E+03  0.172401E-08 0.100000E-04    0.945268E+00
  13    0.467356E-07    0.564458E+03 -0.827973E-10 0.100000E-04    0.893215E+00
  14    0.409299E-06    0.487413E+03 -0.839739E-09 0.100000E-04    0.932883E+00
  15   -0.430313E-06    0.460465E+03  0.934519E-09 0.100000E-04    0.940538E+00
  16   -0.126391E-06    0.459713E+03  0.274935E-09 0.100000E-04    0.822340E+00
  17   -0.596856E-06    0.441603E+03  0.135157E-08 0.100000E-04    0.911697E+00
  18   -0.390645E-06    0.429526E+03  0.909479E-09 0.100000E-04    0.933070E+00
  19   -0.155626E-06    0.421834E+03  0.368926E-09 0.100000E-04    0.652877E+00
  20   -0.351765E-06    0.407764E+03  0.862666E-09 0.100000E-04    0.924984E+00
  21   -0.411641E-06    0.396273E+03  0.103878E-08 0.100000E-04    0.920794E+00
  22   -0.615462E-06    0.387310E+03  0.158907E-08 0.100000E-04    0.994334E+00
  23    0.770301E-06    0.370082E+03 -0.208143E-08 0.100000E-04    0.925063E+00
  24   -0.413566E-06    0.360587E+03  0.114693E-08 0.100000E-04    0.982325E+00
  25   -0.910155E-07    0.349266E+03  0.260591E-09 0.100000E-04    0.222090E+00
  26   -0.349055E-07    0.335369E+03  0.104081E-09 0.100000E-04    0.656359E+00
  27    0.372317E-06    0.329400E+03 -0.113029E-08 0.100000E-04    0.893190E+00
  28   -0.391849E-06    0.321802E+03  0.121767E-08 0.100000E-04    0.897355E+00
  29   -0.101072E-06    0.319201E+03  0.316640E-09 0.100000E-04    0.569350E+00
  30   -0.135865E-05    0.309265E+03  0.439315E-08 0.100000E-04    0.960767E+00
  31   -0.103555E-05    0.300753E+03  0.344318E-08 0.100000E-04    0.956848E+00
  32   -0.123384E-05    0.290608E+03  0.424572E-08 0.100000E-04    0.969910E+00
  33   -0.383426E-07    0.279159E+03  0.137350E-09 0.100000E-04    0.418524E+00
  34   -0.277214E-07    0.272787E+03  0.101623E-09 0.100000E-04    0.984469E+00
  35    0.988845E-06    0.268567E+03 -0.368193E-08 0.100000E-04    0.970352E+00
  36    0.119767E-05    0.264989E+03 -0.451969E-08 0.100000E-04    0.986342E+00
  37   -0.495944E-06    0.263901E+03  0.187928E-08 0.100000E-04    0.899947E+00
  38   -0.124876E-06    0.253151E+03  0.493289E-09 0.100000E-04    0.959574E+00
  39   -0.453431E-06    0.241612E+03  0.187669E-08 0.100000E-04    0.890606E+00
  40   -0.116919E-05    0.240813E+03  0.485517E-08 0.100000E-04    0.987419E+00
  41   -0.948009E-06    0.234099E+03  0.404960E-08 0.100000E-04    0.986359E+00
  42   -0.165804E-05    0.227555E+03  0.728631E-08 0.100000E-04    0.964582E+00
  43    0.164221E-07    0.217216E+03 -0.756024E-10 0.100000E-04    0.892568E+00
  44   -0.187337E-05    0.214907E+03  0.871711E-08 0.100000E-04    0.969809E+00
  45    0.724856E-06    0.213229E+03 -0.339943E-08 0.100000E-04    0.980724E+00
  46    0.103662E-05    0.207731E+03 -0.499021E-08 0.100000E-04    0.986013E+00
  47   -0.710871E-06    0.202953E+03  0.350263E-08 0.100000E-04    0.967399E+00
  48   -0.120131E-05    0.195344E+03  0.614974E-08 0.100000E-04    0.927319E+00
  49    0.957924E-06    0.194882E+03 -0.491539E-08 0.100000E-04    0.948337E+00
  50    0.115730E-05    0.191413E+03 -0.604606E-08 0.100000E-04    0.876791E+00
  51    0.215754E-06    0.183041E+03 -0.117872E-08 0.100000E-04    0.865242E+00
  52   -0.608660E-06    0.174439E+03  0.348923E-08 0.100000E-04    0.929307E+00
  53   -0.167849E-06    0.172364E+03  0.973805E-09 0.100000E-04    0.843999E+00
  54   -0.211806E-06    0.168247E+03  0.125890E-08 0.100000E-04    0.926035E+00
  55    0.782761E-06    0.163186E+03 -0.479674E-08 0.100000E-04    0.988020E+00
  56    0.132489E-05    0.156850E+03 -0.844689E-08 0.100000E-04    0.974390E+00
  57   -0.333461E-06    0.154969E+03  0.215179E-08 0.100000E-04    0.835478E+00
  58    0.908275E-06    0.152235E+03 -0.596626E-08 0.100000E-04    0.996737E+00
  59   -0.594981E-06    0.146600E+03  0.405853E-08 0.100000E-04    0.996327E+00
  60   -0.168423E-06    0.143303E+03  0.117530E-08 0.100000E-04    0.735840E+00
  61    0.832251E-06    0.138151E+03 -0.602423E-08 0.100000E-04    0.817858E+00
  62   -0.925385E-06    0.135873E+03  0.681068E-08 0.100000E-04    0.969353E+00
  63   -0.207755E-05    0.130264E+03  0.159488E-07 0.100000E-04    0.917994E+00
  64    0.172883E-06    0.128863E+03 -0.134160E-08 0.100000E-04    0.595934E+00
  65   -0.119635E-05    0.126921E+03  0.942593E-08 0.100000E-04    0.883735E+00
  66    0.682421E-06    0.123949E+03 -0.550564E-08 0.100000E-04    0.890384E+00
  67   -0.181716E-05    0.120032E+03  0.151389E-07 0.100000E-04    0.961996E+00
  68   -0.433120E-06    0.118182E+03  0.366486E-08 0.100000E-04    0.932517E+00
  69    0.158808E-08    0.116790E+03 -0.135977E-10 0.127170E-04    0.283512E-01
  70    0.127605E-05    0.110390E+03 -0.115595E-07 0.100000E-04    0.945364E+00
  71   -0.702424E-06    0.106809E+03  0.657645E-08 0.100000E-04    0.910634E+00
  72    0.989493E-06    0.104478E+03 -0.947086E-08 0.100000E-04    0.814775E+00
  73   -0.109390E-06    0.102864E+03  0.106345E-08 0.100000E-04    0.732700E+00
  74    0.673819E-07    0.995047E+02 -0.677173E-09 0.100000E-04    0.742315E+00
  75    0.149448E-06    0.960680E+02 -0.155565E-08 0.100000E-04    0.273224E+02
  76    0.121382E-06    0.940779E+02 -0.129023E-08 0.100000E-04    0.839514E+00
  77    0.154618E-05    0.919237E+02 -0.168203E-07 0.100000E-04    0.953951E+00
  78   -0.739011E-06    0.912549E+02  0.809831E-08 0.100000E-04    0.965865E+00
  79   -0.772142E-06    0.883622E+02  0.873837E-08 0.100000E-04    0.980783E+00
  80    0.581790E-06    0.856422E+02 -0.679326E-08 0.100000E-04    0.916304E+00
  81   -0.126750E-05    0.808444E+02  0.156783E-07 0.100000E-04    0.994681E+00
  82    0.116992E-05    0.805764E+02 -0.145194E-07 0.100000E-04    0.927966E+00
  83    0.189952E-06    0.779318E+02 -0.243741E-08 0.100000E-04    0.446501E+00
  84    0.281482E-06    0.732616E+02 -0.384215E-08 0.100000E-04    0.567767E+00
  85    0.199404E-05    0.724923E+02 -0.275070E-07 0.100000E-04    0.887613E+00
  86    0.470242E-06    0.678835E+02 -0.692718E-08 0.100000E-04    0.831398E+00
  87    0.813984E-06    0.647044E+02 -0.125800E-07 0.100000E-04    0.788473E+00
  88   -0.900396E-06    0.613006E+02  0.146882E-07 0.100000E-04    0.932055E+00
  89   -0.184924E-05    0.598069E+02  0.309202E-07 0.100000E-04    0.946724E+00
  90   -0.230636E-05    0.594106E+02  0.388206E-07 0.100000E-04    0.974685E+00
  91   -0.260978E-05    0.581321E+02  0.448939E-07 0.100000E-04    0.917074E+00
  92    0.365017E-05    0.558489E+02 -0.653579E-07 0.100000E-04    0.946790E+00
  93    0.327972E-05    0.524343E+02 -0.625491E-07 0.100000E-04    0.982291E+00
  94    0.610208E-06    0.519881E+02 -0.117374E-07 0.100000E-04    0.765117E+00
  95    0.195404E-05    0.503067E+02 -0.388424E-07 0.100000E-04    0.886569E+00
  96    0.112451E-05    0.461110E+02 -0.243871E-07 0.100000E-04    0.920978E+00
  97    0.281040E-05    0.434042E+02 -0.647496E-07 0.100000E-04    0.880001E+00
  98    0.495687E-06    0.409290E+02 -0.121109E-07 0.100000E-04    0.651452E+00
  99   -0.186866E-05    0.378630E+02  0.493533E-07 0.100000E-04    0.808867E+00
 100   -0.150761E-05    0.361690E+02  0.416823E-07 0.100000E-04    0.888713E+00
 101    0.106896E-04    0.322266E+02 -0.331700E-06 0.100000E-04    0.938520E+00
 102   -0.189041E-06    0.289391E+02  0.653236E-08 0.100000E-04    0.391411E+00
 103   -0.240716E-05    0.284594E+02  0.845821E-07 0.100000E-04    0.959790E+00
 104   -0.626865E-06    0.263312E+02  0.238069E-07 0.100000E-04    0.758083E+00
 105   -0.629414E-05    0.233217E+02  0.269884E-06 0.100000E-04    0.927393E+00
 106   -0.465440E-05    0.213544E+02  0.217960E-06 0.100000E-04    0.965468E+00
 107    0.211407E-04    0.198434E+02 -0.106538E-05 0.100000E-04    0.919852E+00
 108    0.233547E-04    0.164444E+02 -0.142022E-05 0.100000E-04    0.929097E+00
 109    0.484022E-05    0.139154E+02 -0.347833E-06 0.100000E-04    0.957603E+00
 110    0.907770E-05    0.122457E+02 -0.741295E-06 0.100000E-04    0.850751E+00
 111   -0.338169E-05    0.100831E+02  0.335383E-06 0.100000E-04    0.821458E+00
 112    0.284400E-01    0.923278E+01 -0.100000E-04 0.100000E-04    0.546519E+00
 113   -0.106440E+00    0.576630E+01  0.213643E-04 0.213643E-04    0.154665E+00
 114   -0.914080E+00    0.313451E+01 -0.100000E-04 0.100000E-04    0.824278E+00
-------------------------------------------------------------------------------
 The maximum scaled/unscaled step is:                 0.2136433256E-04    0.2703104183    

 Beginning of optimization cycle  719.
 -------------------------------------
 potential> Energy for last cycle=                                -169.2986927300
 potential> RMS force:                                               0.0862323556   |gradient|=.9207096082    
 Eigenvalues of the Hessian matrix:
   747.10411    673.90710    631.01557    600.47049    586.31046    578.90388 
   564.45384    487.41214    460.46394    459.71207    441.60235    429.52765 
   421.83364    407.76268    396.27284    387.30853    370.08237    360.58671 
   349.26522    335.37013    329.40088    321.80160    319.20166    309.26405 
   300.75288    290.60838    279.16069    272.78763    268.56719    264.98957 
   263.90164    253.14997    241.61245    240.81373    234.10010    227.55556 
   217.21717    214.90747    213.22865    207.73142    202.95289    195.34290 
   194.88285    191.41376    183.04226    174.44009    172.36441    168.24691 
   163.18590    156.84947    154.96934    152.23496    146.59965    143.30248 
   138.15113    135.87263    130.26350    128.86299    126.92102    123.94831 
   120.03216    118.18198    116.78979    110.39027    106.80884    104.47791 
   102.86408     99.50463     96.06783     94.07761     91.92332     91.25512 
    88.36173     85.64248     80.84447     80.57711     77.93152     73.26137 
    72.49168     67.88321     64.70397     61.30023     59.80659     59.41069 
    58.13210     55.84867     52.43415     51.98772     50.30734     46.11056 
    43.40475     40.92908     37.86299     36.16857     32.22623     28.93944 
    28.45947     26.33154     23.32159     21.35462     19.84327     16.44428 
    13.91542     12.24576     10.08303      9.23430      5.76646      3.13418 
overlap for current and previous eigenvector    109 is        -0.9999999882
overlap for current and previous eigenvector    110 is         0.9999999986
overlap for current and previous eigenvector    111 is        -0.9999999372
overlap for current and previous eigenvector    112 is        -0.9999999079
overlap for current and previous eigenvector    113 is        -0.9999999397
overlap for current and previous eigenvector    114 is        -0.9999999675
J1,K1,R1,R2,RAT=   7   7    0.5200361291E-02     1.994789722        0.9947897218    
FOB,PFOB,DIAG,PSTEP=   -0.1703541170E-06   -0.1712446555E-06     747.1041108        0.2292123710E-09
J1,K1,R1,R2,RAT=   8   8   -0.3990594179E-01     2.039910225        0.9600940582    
FOB,PFOB,DIAG,PSTEP=   -0.4160649763E-06   -0.4000986952E-06     673.9071014        0.5936988014E-09
J1,K1,R1,R2,RAT=   9   9   -0.4405059322E-01     2.044041569        0.9559494068    
FOB,PFOB,DIAG,PSTEP=   -0.7299067880E-06   -0.6991104203E-06     631.0155706        0.1107918104E-08
J1,K1,R1,R2,RAT=  10  10   -0.7266873369         2.726694525        0.2733126631    
FOB,PFOB,DIAG,PSTEP=   -0.5634573048E-07   -0.3263232115E-07     600.4704932        0.5434439201E-10
J1,K1,R1,R2,RAT=  11  11    0.1818399178         1.818161760        0.8181600822    
FOB,PFOB,DIAG,PSTEP=   -0.4700195999E-08   -0.5744835546E-08     586.3104595        0.9798274332E-11
J1,K1,R1,R2,RAT= 109 109     2.038541276       -0.3854982691E-01    0.9614501731    
FOB,PFOB,DIAG,PSTEP=   -0.5026811363E-05    0.4840220888E-05     13.91542164       -0.3478329085E-06
J1,K1,R1,R2,RAT= 110 110   -0.1446717767         2.144667835        0.8553282233    
FOB,PFOB,DIAG,PSTEP=    0.1039098754E-04    0.9077698218E-05     12.24575993       -0.7412946325E-06
J1,K1,R1,R2,RAT= 111 111     2.217608966       -0.2175986376        0.7824013624    
FOB,PFOB,DIAG,PSTEP=    0.4117535646E-05   -0.3381688612E-05     10.08302802        0.3353825004E-06
J1,K1,R1,R2,RAT= 112 112     615.5378894        0.4258922766        0.5741077234    
FOB,PFOB,DIAG,PSTEP=   -0.2840064424E-01    0.2843997241E-01     9.234300216       -0.1000000000E-04
J1,K1,R1,R2,RAT= 113 113     1728.754420       -0.7882061837        0.2117938163    
FOB,PFOB,DIAG,PSTEP=    0.1065369043       -0.1064398000         5.766462460        0.2136433256E-04
J1,K1,R1,R2,RAT= 114 114    -58329.91519        0.